#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qri s ILE 2 N 0.00 3.37 0.82 2.46 2.07 -1.26 -4.85 121.20 123.80 2qri s ILE 2 Ca 0.00 0.98 -0.11 0.00 -1.41 0.00 0.00 60.65 60.11 2qri s ILE 2 Cb 0.00 -3.47 0.08 0.00 0.13 0.00 0.00 42.46 39.20 2qri s ILE 2 CO 0.00 -0.06 1.09 -0.51 -1.91 0.00 0.00 174.94 173.55 2qri s ILE 3 N -1.66 3.08 -0.23 2.00 2.07 -1.26 -5.00 121.20 120.20 2qri s ILE 3 Ca 0.64 0.35 -0.22 0.00 -1.41 0.00 0.00 60.65 60.01 2qri s ILE 3 Cb -0.25 -2.87 -0.02 0.00 0.13 0.00 0.00 42.46 39.46 2qri s ILE 3 CO 0.30 -0.46 0.70 0.54 -1.91 0.00 0.00 174.94 174.11 2qri s ASN 4 N -3.46 6.70 0.46 4.50 4.22 -1.26 -5.04 114.94 121.06 2qri s ASN 4 Ca 0.62 0.86 -0.21 0.00 -2.14 0.00 0.00 52.86 51.99 2qri s ASN 4 Cb -0.17 -2.38 -0.09 0.00 1.28 0.00 0.00 41.25 39.89 2qri s ASN 4 CO 0.56 -0.40 1.01 -0.36 -2.04 0.00 0.00 177.10 175.87 2qri s PHE 5 N 2.47 3.11 -0.16 1.54 0.08 -1.26 -5.06 117.98 118.70 2qri s PHE 5 Ca 0.30 1.59 -0.05 0.00 0.12 0.00 0.00 56.93 58.88 2qri s PHE 5 Cb -0.16 -2.99 -0.04 0.00 -0.57 0.00 0.00 43.02 39.27 2qri s PHE 5 CO 0.09 -0.57 0.03 -2.00 -0.10 0.00 0.00 175.22 172.66 2qri s GLU 6 N -3.20 3.72 0.38 0.44 2.56 -1.26 -4.98 118.70 116.36 2qri s GLU 6 Ca 0.65 -0.40 -0.25 0.00 0.00 0.00 0.00 54.97 54.97 2qri s GLU 6 Cb -0.14 -3.06 -0.12 0.00 2.00 0.00 0.00 34.13 32.81 2qri s GLU 6 CO 0.18 0.35 0.98 1.63 -0.56 0.00 0.00 175.26 177.83 2qri n LYS 7 N 3.26 1.31 0.07 4.30 5.02 -1.26 -4.89 118.16 125.97 2qri n LYS 7 Ca -0.17 0.46 -0.14 0.00 -2.02 0.00 0.00 58.31 56.45 2qri n LYS 7 Cb 0.53 -1.94 -0.06 0.00 -0.02 0.00 0.00 35.03 33.54 2qri n LYS 7 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2qri h LEU 8 N 1.64 0.51 -9.68 -0.35 3.38 -1.96 -3.46 115.31 105.39 2qri h LEU 8 Ca -0.43 -0.43 -0.52 0.00 0.09 0.00 0.00 57.88 56.59 2qri h LEU 8 Cb 1.34 -0.16 0.06 0.00 0.09 0.00 0.00 40.66 41.99 2qri h LEU 8 CO 0.58 1.24 0.93 -0.83 0.09 0.00 0.00 178.44 180.45 2qri s GLY 9 N -4.45 1.55 0.00 0.83 0.00 -1.26 -4.36 107.32 99.63 2qri s GLY 9 Ca -0.05 1.51 0.00 0.00 0.00 0.00 0.00 44.72 46.17 2qri s GLY 9 CO 0.87 2.71 0.00 0.61 0.00 0.00 0.00 173.10 177.28 2qri n GLY 10 N 3.45 2.75 0.00 0.20 0.00 -1.26 -5.06 105.19 105.27 2qri n GLY 10 Ca 0.13 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.92 2qri n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qri n GLY 11 N 2.80 -0.26 0.10 -0.02 0.00 -1.26 -4.97 105.19 101.58 2qri n GLY 11 Ca 0.00 -0.09 0.04 0.00 0.00 0.00 0.00 46.02 45.97 2qri n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qri n ALA 12 N -0.94 2.88 -2.49 4.61 0.00 -1.26 -4.99 120.51 118.32 2qri n ALA 12 Ca 0.00 -0.32 -0.28 0.00 0.00 0.00 0.00 53.44 52.84 2qri n ALA 12 Cb 0.00 -0.29 -0.16 0.00 0.00 0.00 0.00 19.45 19.00 2qri n ALA 12 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2qri s SER 13 N -1.46 2.50 0.09 0.00 0.15 -1.26 -4.96 113.70 108.76 2qri s SER 13 Ca 0.05 -0.39 0.08 0.00 0.70 0.00 0.00 55.95 56.39 2qri s SER 13 Cb 0.06 -0.36 -0.03 0.00 -1.71 0.00 0.00 66.02 63.99 2qri s SER 13 CO 0.26 0.25 -0.21 -0.83 1.20 0.00 0.00 173.24 173.91 2qri s GLY 14 N -0.41 1.23 0.91 9.45 0.00 -1.26 -4.95 107.32 112.29 2qri s GLY 14 Ca 0.06 -1.22 -0.12 0.00 0.00 0.00 0.00 44.72 43.44 2qri s GLY 14 CO -0.00 -1.20 1.13 -0.32 0.00 0.00 0.00 173.10 172.70 2qri s GLY 15 N -1.77 1.58 0.00 0.20 0.00 -1.25 -4.81 107.32 101.27 2qri s GLY 15 Ca 0.07 -0.46 0.00 0.00 0.00 0.00 0.00 44.72 44.33 2qri s GLY 15 CO 0.04 0.09 0.00 0.61 0.00 0.00 0.00 173.10 173.84 2qri n GLY 16 N -2.03 0.00 3.82 0.20 0.00 -1.26 -4.20 105.19 101.72 2qri n GLY 16 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 2qri n GLY 16 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qri s GLY 17 N 0.00 2.35 -1.56 -0.02 0.00 -1.26 -3.94 107.32 102.89 2qri s GLY 17 Ca 0.00 0.40 -0.15 0.00 0.00 0.00 0.00 44.72 44.98 2qri s GLY 17 CO 0.00 0.69 0.94 -1.26 0.00 0.00 0.00 173.10 173.48 2qri n SER 18 N -0.93 -4.61 0.00 1.64 2.88 -1.23 -4.95 113.62 106.42 2qri n SER 18 Ca 0.07 -0.80 0.00 0.00 -1.33 0.00 0.00 58.87 56.81 2qri n SER 18 Cb 0.54 -3.69 0.00 0.00 -0.75 0.00 0.00 64.21 60.31 2qri n SER 18 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2qri n GLY 19 N -1.63 0.36 2.65 0.46 0.00 -1.25 -4.22 105.19 101.55 2qri n GLY 19 Ca 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 2qri n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qri n GLY 20 N 5.00 2.47 0.00 -0.02 0.00 -1.26 -3.36 105.19 108.01 2qri n GLY 20 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.47 2qri n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qri n GLY 21 N 3.63 -0.66 0.08 -0.02 0.00 -1.25 -4.30 105.19 102.66 2qri n GLY 21 Ca 0.27 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.56 2qri n GLY 21 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qri n GLY 22 N 0.00 0.01 3.51 -0.02 0.00 -1.21 -4.36 105.19 103.11 2qri n GLY 22 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2qri n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qri s SER 23 N -0.04 -1.18 -0.28 1.61 1.04 -1.26 -4.78 113.70 108.80 2qri s SER 23 Ca 0.00 1.36 -0.18 0.00 0.48 0.00 0.00 55.95 57.61 2qri s SER 23 Cb 0.00 2.24 0.08 0.00 0.10 0.00 0.00 66.02 68.44 2qri s SER 23 CO 0.00 -0.23 0.70 -0.63 0.98 0.00 0.00 173.24 174.07 2qri s ILE 1 N 2.87 0.00 0.28 -1.02 1.01 -1.26 -5.02 121.20 118.07 2qri s ILE 1 Ca 0.01 0.00 0.10 0.00 0.00 0.00 0.00 60.65 60.77 2qri s ILE 1 Cb -0.13 -1.00 -0.05 0.00 0.01 0.00 0.00 42.46 41.30 2qri s ILE 1 CO -0.19 0.00 -0.08 -1.10 0.00 0.00 0.00 174.94 173.56 2qri s GLN 2 N 1.29 2.01 -0.11 2.79 -0.21 -1.26 -4.87 119.66 119.31 2qri s GLN 2 Ca -0.07 -1.61 0.04 0.00 0.02 0.00 0.00 55.36 53.74 2qri s GLN 2 Cb -0.05 -1.97 0.00 0.00 1.00 0.00 0.00 33.01 31.99 2qri s GLN 2 CO -0.14 0.32 -0.23 0.15 -2.12 0.00 0.00 175.29 173.26 2qri s LYS 3 N -3.61 3.05 0.07 2.91 3.01 -0.24 -4.96 119.74 119.97 2qri s LYS 3 Ca 0.31 -0.87 -0.31 0.00 -1.01 0.00 0.00 55.97 54.10 2qri s LYS 3 Cb -0.05 -2.34 -0.06 0.00 -1.01 0.00 0.00 37.83 34.37 2qri s LYS 3 CO 0.18 0.14 1.23 0.99 0.51 0.00 0.00 175.35 178.40 2qri s THR 4 N 0.43 3.92 0.43 2.17 2.01 -1.26 -2.20 115.64 121.14 2qri s THR 4 Ca -0.16 1.38 -0.25 0.00 0.31 0.00 0.00 61.69 62.97 2qri s THR 4 Cb -0.17 -3.88 -0.08 0.00 0.01 0.00 0.00 72.50 68.37 2qri s THR 4 CO 0.07 0.11 1.24 -2.16 -0.69 0.00 0.00 174.62 173.19 2qri s PRO 5 N 1.08 3.86 -0.04 4.92 0.04 -1.26 -4.44 135.00 139.17 2qri s PRO 5 Ca 0.60 2.00 -0.02 0.00 0.04 0.00 0.00 61.00 63.61 2qri s PRO 5 Cb -0.31 -2.61 -0.04 0.00 0.04 0.00 0.00 34.50 31.58 2qri s PRO 5 CO 0.29 -0.53 0.09 -0.65 0.04 0.00 0.00 177.00 176.25 2qri s GLN 6 N -2.41 3.17 -0.01 4.56 -1.52 -0.04 -4.95 119.66 118.46 2qri s GLN 6 Ca 0.60 -0.39 0.03 0.00 -1.95 0.00 0.00 55.36 53.65 2qri s GLN 6 Cb -0.34 -2.94 -0.01 0.00 -0.22 0.00 0.00 33.01 29.50 2qri s GLN 6 CO 0.43 0.68 -0.11 0.42 -0.25 0.00 0.00 175.29 176.47 2qri s ILE 7 N -1.14 0.85 -0.03 1.08 1.01 -1.26 -1.92 121.20 119.79 2qri s ILE 7 Ca 0.21 -0.45 0.02 0.00 0.00 0.00 0.00 60.65 60.43 2qri s ILE 7 Cb -0.12 -0.72 0.01 0.00 0.01 0.00 0.00 42.46 41.64 2qri s ILE 7 CO 0.11 0.24 -0.08 -1.10 0.00 0.00 0.00 174.94 174.12 2qri s GLN 8 N -0.17 0.92 -0.13 2.79 -0.21 -0.82 -5.00 119.66 117.03 2qri s GLN 8 Ca 0.03 -0.27 0.02 0.00 0.02 0.00 0.00 55.36 55.16 2qri s GLN 8 Cb -0.05 -0.86 0.01 0.00 1.00 0.00 0.00 33.01 33.11 2qri s GLN 8 CO -0.00 0.08 -0.20 0.08 -2.12 0.00 0.00 175.29 173.13 2qri s VAL 9 N 0.29 1.92 0.09 1.09 1.01 -1.26 -1.19 120.40 122.35 2qri s VAL 9 Ca -0.04 -0.89 -0.25 0.00 0.00 0.00 0.00 61.98 60.79 2qri s VAL 9 Cb -0.09 -1.70 0.08 0.00 0.00 0.00 0.00 36.38 34.66 2qri s VAL 9 CO 0.00 0.52 0.67 -0.72 0.00 0.00 0.00 175.10 175.58 2qri s TYR 10 N 0.85 -0.52 0.33 5.22 1.13 -0.80 -4.60 117.35 118.96 2qri s TYR 10 Ca -0.07 0.45 -0.14 0.00 -1.41 0.00 0.00 57.07 55.90 2qri s TYR 10 Cb -0.15 0.53 -0.08 0.00 -1.10 0.00 0.00 41.96 41.15 2qri s TYR 10 CO -0.02 -0.75 0.72 -1.54 -2.51 0.00 0.00 175.55 171.46 2qri s SER 11 N -2.41 6.71 0.13 -0.18 1.04 -1.26 -0.37 113.70 117.36 2qri s SER 11 Ca -0.00 1.22 -0.14 0.00 0.48 0.00 0.00 55.95 57.50 2qri s SER 11 Cb -0.01 -2.35 -0.01 0.00 0.10 0.00 0.00 66.02 63.75 2qri s SER 11 CO -0.08 -0.23 1.58 -0.09 0.98 0.00 0.00 173.24 175.40 2qri h ARG 12 N 2.09 0.74 -6.10 4.02 2.43 -1.02 -3.45 114.38 113.09 2qri h ARG 12 Ca -0.48 -0.24 -0.57 0.00 -0.81 0.00 0.00 59.98 57.89 2qri h ARG 12 Cb 1.18 -0.07 -0.10 0.00 -0.42 0.00 0.00 29.97 30.56 2qri h ARG 12 CO 0.65 0.82 -0.61 -1.01 -1.51 0.00 0.00 179.97 178.31 2qri s HIS 13 N -5.01 2.62 0.13 2.20 3.76 -1.26 -4.98 115.29 112.75 2qri s HIS 13 Ca -0.13 -0.35 -0.33 0.00 -0.15 0.00 0.00 55.06 54.10 2qri s HIS 13 Cb 0.10 -1.41 -0.13 0.00 1.11 0.00 0.00 32.58 32.25 2qri s HIS 13 CO 0.80 0.50 1.67 -2.30 -0.85 0.00 0.00 174.74 174.55 2qri n PRO 14 N -0.97 2.33 -2.06 8.40 -0.02 -1.26 -4.86 135.00 136.55 2qri n PRO 14 Ca -0.05 0.84 -0.42 0.00 -2.02 0.00 0.00 63.50 61.85 2qri n PRO 14 Cb 0.61 -2.65 -0.03 0.00 -0.02 0.00 0.00 33.50 31.41 2qri n PRO 14 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2qri s PRO 15 N 1.54 4.22 -0.10 0.52 0.04 -1.26 -4.99 135.00 134.96 2qri s PRO 15 Ca 0.80 2.14 0.01 0.00 0.04 0.00 0.00 61.00 63.99 2qri s PRO 15 Cb -0.63 -3.76 0.02 0.00 0.04 0.00 0.00 34.50 30.17 2qri s PRO 15 CO 0.39 -0.74 -0.10 -1.21 0.04 0.00 0.00 177.00 175.38 2qri s GLU 16 N 3.20 1.69 0.13 4.56 2.02 -1.26 -5.10 118.70 123.94 2qri s GLU 16 Ca 0.70 -0.35 -0.34 0.00 0.02 0.00 0.00 54.97 55.00 2qri s GLU 16 Cb -0.34 -1.60 -0.14 0.00 0.10 0.00 0.00 34.13 32.15 2qri s GLU 16 CO 0.29 -0.17 1.62 0.09 0.02 0.00 0.00 175.26 177.11 2qri n ASN 17 N 4.55 3.16 0.00 -0.19 3.02 -1.26 -1.61 115.26 122.94 2qri n ASN 17 Ca -0.16 1.07 0.00 0.00 -0.03 0.00 0.00 54.58 55.45 2qri n ASN 17 Cb 0.51 -1.42 0.00 0.00 -0.61 0.00 0.00 39.78 38.25 2qri n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qri n GLY 18 N 3.56 1.24 3.58 7.41 0.00 -0.22 -5.00 105.19 115.77 2qri n GLY 18 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 2qri n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qri s LYS 19 N -0.59 3.85 0.41 1.61 1.02 -0.63 -4.99 119.74 120.42 2qri s LYS 19 Ca 0.00 -0.41 -0.26 0.00 0.02 0.00 0.00 55.97 55.32 2qri s LYS 19 Cb 0.00 -3.09 -0.10 0.00 -0.52 0.00 0.00 37.83 34.12 2qri s LYS 19 CO 0.00 0.27 1.34 -2.30 -0.92 0.00 0.00 175.35 173.74 2qri n PRO 20 N 3.50 2.14 -1.30 -1.68 -0.02 -1.26 -4.13 135.00 132.25 2qri n PRO 20 Ca -0.17 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 2qri n PRO 20 Cb 0.52 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 2qri n PRO 20 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 2qri n ASN 21 N 0.22 0.00 -3.97 2.55 2.85 0.18 -4.97 115.26 112.12 2qri n ASN 21 Ca 0.05 -0.83 -0.20 0.00 -0.11 0.00 0.00 54.58 53.49 2qri n ASN 21 Cb 0.39 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.26 2qri n ASN 21 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2qri s ILE 22 N -2.32 0.71 -0.16 -1.44 1.09 -1.26 -1.89 121.20 115.93 2qri s ILE 22 Ca 0.00 -0.29 -0.04 0.00 -1.10 0.00 0.00 60.65 59.22 2qri s ILE 22 Cb 0.00 -0.66 -0.03 0.00 -1.06 0.00 0.00 42.46 40.71 2qri s ILE 22 CO 0.00 0.24 -0.03 -0.22 -0.10 0.00 0.00 174.94 174.83 2qri s LEU 23 N 0.43 3.27 0.08 2.97 2.96 0.13 -0.45 118.68 128.06 2qri s LEU 23 Ca -0.07 -0.12 0.05 0.00 -0.22 0.00 0.00 54.13 53.77 2qri s LEU 23 Cb -0.11 -1.79 -0.04 0.00 0.50 0.00 0.00 46.19 44.76 2qri s LEU 23 CO 0.01 0.17 -0.01 0.20 -1.32 0.00 0.00 176.35 175.39 2qri s ASN 24 N 0.35 4.96 -0.28 3.68 0.01 0.50 -1.15 114.94 123.01 2qri s ASN 24 Ca -0.04 -0.18 -0.01 0.00 -0.71 0.00 0.00 52.86 51.92 2qri s ASN 24 Cb -0.14 -1.17 0.09 0.00 0.41 0.00 0.00 41.25 40.43 2qri s ASN 24 CO 0.03 0.19 0.07 0.00 -1.51 0.00 0.00 177.10 175.88 2qri s TYR 26 N 1.65 3.23 -0.14 0.00 5.04 -0.33 -0.73 117.35 126.07 2qri s TYR 26 Ca 0.06 0.26 0.02 0.00 -2.44 0.00 0.00 57.07 54.97 2qri s TYR 26 Cb -0.17 -2.53 -0.00 0.00 0.35 0.00 0.00 41.96 39.61 2qri s TYR 26 CO -0.21 -0.24 -0.18 0.08 -1.34 0.00 0.00 175.55 173.66 2qri s VAL 27 N 1.97 2.45 0.31 3.14 1.01 -0.21 -1.95 120.40 127.13 2qri s VAL 27 Ca 0.12 -0.86 0.04 0.00 0.00 0.00 0.00 61.98 61.29 2qri s VAL 27 Cb -0.16 -2.00 -0.03 0.00 0.00 0.00 0.00 36.38 34.19 2qri s VAL 27 CO 0.10 0.53 0.20 0.42 0.00 0.00 0.00 175.10 176.36 2qri s THR 28 N 0.64 0.18 -1.96 3.92 -4.23 -0.81 -0.44 115.64 112.94 2qri s THR 28 Ca -0.10 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.41 2qri s THR 28 Cb -0.16 -2.48 0.00 0.00 1.34 0.00 0.00 72.50 71.20 2qri s THR 28 CO 0.02 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.10 2qri n GLN 29 N -0.60 -1.56 -4.14 3.99 1.13 -0.87 -0.86 117.38 114.47 2qri n GLN 29 Ca 0.03 1.10 -0.22 0.00 -1.94 0.00 0.00 57.00 55.97 2qri n GLN 29 Cb 0.64 -5.59 -0.05 0.00 0.11 0.00 0.00 30.24 25.35 2qri n GLN 29 CO 0.00 0.00 0.00 -0.59 -1.44 0.00 0.00 177.06 175.03 2qri s PHE 30 N -2.82 3.02 -0.28 1.08 -0.71 -1.16 -4.17 117.98 112.92 2qri s PHE 30 Ca 0.00 -0.14 -0.20 0.00 -1.04 0.00 0.00 56.93 55.55 2qri s PHE 30 Cb 0.00 -1.38 0.13 0.00 -1.21 0.00 0.00 43.02 40.55 2qri s PHE 30 CO 0.00 0.52 0.95 -1.58 -1.34 0.00 0.00 175.22 173.78 2qri s HIS 31 N -2.18 -0.60 1.14 3.49 2.46 -0.93 -0.93 115.29 117.73 2qri s HIS 31 Ca 0.33 1.30 -0.13 0.00 0.47 0.00 0.00 55.06 57.03 2qri s HIS 31 Cb -0.07 0.38 0.27 0.00 -0.13 0.00 0.00 32.58 33.03 2qri s HIS 31 CO 0.24 -0.30 1.04 -1.25 -2.47 0.00 0.00 174.74 172.00 2qri s PRO 32 N 0.93 -0.70 0.37 2.88 0.04 -1.26 -1.08 135.00 136.17 2qri s PRO 32 Ca -0.04 0.80 0.15 0.00 0.04 0.00 0.00 61.00 61.94 2qri s PRO 32 Cb -0.04 -1.58 0.73 0.00 0.04 0.00 0.00 34.50 33.64 2qri s PRO 32 CO -0.12 -3.57 1.80 -1.00 0.04 0.00 0.00 177.00 174.16 2qri h PRO 33 N -2.51 0.00 -6.64 0.56 0.13 -1.98 -3.44 132.00 118.11 2qri h PRO 33 Ca -0.60 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.01 2qri h PRO 33 Cb 1.33 0.00 0.05 0.00 0.13 0.00 0.00 31.00 32.52 2qri h PRO 33 CO 0.51 0.39 0.98 -1.58 -0.23 0.00 0.00 178.00 178.07 2qri s HIS 34 N -4.01 2.94 0.01 1.56 2.46 -1.26 -4.98 115.29 112.01 2qri s HIS 34 Ca -0.02 0.41 -0.23 0.00 0.47 0.00 0.00 55.06 55.69 2qri s HIS 34 Cb 0.13 -4.09 0.05 0.00 -0.13 0.00 0.00 32.58 28.55 2qri s HIS 34 CO 0.71 -4.10 0.51 -1.50 -2.47 0.00 0.00 174.74 167.89 2qri s ILE 35 N 1.19 0.03 -0.12 0.89 2.07 -1.26 -4.65 121.20 119.34 2qri s ILE 35 Ca 0.74 -0.25 0.02 0.00 -1.41 0.00 0.00 60.65 59.75 2qri s ILE 35 Cb -0.48 -0.91 0.01 0.00 0.13 0.00 0.00 42.46 41.21 2qri s ILE 35 CO 0.32 -0.14 -0.19 -1.61 -1.91 0.00 0.00 174.94 171.41 2qri s GLU 36 N -1.90 2.67 -0.10 3.50 2.02 -0.46 -4.99 118.70 119.44 2qri s GLU 36 Ca -0.08 -0.73 0.02 0.00 0.02 0.00 0.00 54.97 54.20 2qri s GLU 36 Cb -0.01 -2.19 0.01 0.00 0.10 0.00 0.00 34.13 32.04 2qri s GLU 36 CO 0.03 -0.02 -0.15 0.42 0.02 0.00 0.00 175.26 175.55 2qri s ILE 37 N 0.86 1.44 0.08 -1.63 1.01 -1.26 -0.47 121.20 121.22 2qri s ILE 37 Ca -0.08 -0.63 0.06 0.00 0.00 0.00 0.00 60.65 60.01 2qri s ILE 37 Cb -0.15 -1.31 -0.03 0.00 0.01 0.00 0.00 42.46 40.98 2qri s ILE 37 CO -0.01 0.43 -0.16 -1.10 0.00 0.00 0.00 174.94 174.09 2qri s GLN 38 N 0.84 0.94 -0.03 2.79 -0.21 -0.45 -4.99 119.66 118.55 2qri s GLN 38 Ca -0.10 -1.00 0.04 0.00 0.02 0.00 0.00 55.36 54.32 2qri s GLN 38 Cb -0.15 -1.03 -0.03 0.00 1.00 0.00 0.00 33.01 32.80 2qri s GLN 38 CO 0.01 0.24 -0.13 -1.64 -2.12 0.00 0.00 175.29 171.65 2qri s MET 39 N -1.71 2.47 0.04 2.91 -1.94 -1.26 -0.14 119.30 119.67 2qri s MET 39 Ca 0.01 -0.72 0.08 0.00 -1.71 0.00 0.00 55.69 53.34 2qri s MET 39 Cb -0.10 -2.39 -0.03 0.00 2.01 0.00 0.00 34.83 34.33 2qri s MET 39 CO 0.03 0.61 -0.22 -0.51 -0.01 0.00 0.00 175.02 174.92 2qri s LEU 40 N -0.95 2.16 -0.21 -0.03 1.43 0.76 -0.47 118.68 121.36 2qri s LEU 40 Ca 0.13 -0.53 0.01 0.00 -1.03 0.00 0.00 54.13 52.71 2qri s LEU 40 Cb -0.11 -1.08 0.03 0.00 0.03 0.00 0.00 46.19 45.07 2qri s LEU 40 CO 0.02 0.20 -0.16 -0.75 0.23 0.00 0.00 176.35 175.89 2qri s LYS 41 N -1.14 2.76 -1.56 1.70 2.20 0.21 -1.60 119.74 122.31 2qri s LYS 41 Ca 0.09 -0.99 -0.12 0.00 -0.36 0.00 0.00 55.97 54.58 2qri s LYS 41 Cb -0.09 -2.71 0.09 0.00 -1.51 0.00 0.00 37.83 33.61 2qri s LYS 41 CO 0.02 -0.33 0.79 0.09 -0.36 0.00 0.00 175.35 175.56 2qri n ASN 42 N 4.57 -3.21 0.00 1.43 3.02 0.66 -1.15 115.26 120.58 2qri n ASN 42 Ca -0.18 -0.91 0.00 0.00 -0.03 0.00 0.00 54.58 53.46 2qri n ASN 42 Cb 0.47 -3.32 0.00 0.00 -0.61 0.00 0.00 39.78 36.32 2qri n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qri n GLY 43 N -1.62 2.03 3.61 7.41 0.00 -1.26 -5.03 105.19 110.32 2qri n GLY 43 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 2qri n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qri s LYS 44 N -0.30 3.51 0.23 1.61 1.02 -0.30 -5.03 119.74 120.48 2qri s LYS 44 Ca 0.00 -0.42 -0.31 0.00 0.02 0.00 0.00 55.97 55.26 2qri s LYS 44 Cb 0.00 -2.96 -0.14 0.00 -0.52 0.00 0.00 37.83 34.21 2qri s LYS 44 CO 0.00 0.43 1.29 1.17 -0.92 0.00 0.00 175.35 177.32 2qri n LYS 45 N 3.00 1.74 -3.05 1.68 4.81 -1.26 -0.62 118.16 124.46 2qri n LYS 45 Ca -0.18 0.62 -0.41 0.00 -0.87 0.00 0.00 58.31 57.47 2qri n LYS 45 Cb 0.53 -2.20 -0.06 0.00 0.02 0.00 0.00 35.03 33.32 2qri n LYS 45 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2qri s ILE 46 N -0.27 4.92 0.11 3.15 1.01 0.37 -4.81 121.20 125.69 2qri s ILE 46 Ca 0.68 1.13 -0.31 0.00 0.00 0.00 0.00 60.65 62.15 2qri s ILE 46 Cb -0.70 -4.01 -0.11 0.00 0.01 0.00 0.00 42.46 37.65 2qri s ILE 46 CO 0.52 -0.07 1.50 -0.65 0.00 0.00 0.00 174.94 176.24 2qri h PRO 47 N 7.97 -0.47 -4.25 2.79 0.11 -1.91 -3.39 132.00 132.84 2qri h PRO 47 Ca -0.26 0.03 -0.74 0.00 0.11 0.00 0.00 66.00 65.14 2qri h PRO 47 Cb 1.11 0.11 -0.25 0.00 0.11 0.00 0.00 31.00 32.08 2qri h PRO 47 CO 0.81 -0.32 -0.33 -1.59 -0.21 0.00 0.00 178.00 176.37 2qri s LYS 48 N -5.43 2.81 -0.12 1.05 -2.85 -1.26 -5.03 119.74 108.91 2qri s LYS 48 Ca -0.14 -1.58 0.01 0.00 -1.00 0.00 0.00 55.97 53.27 2qri s LYS 48 Cb 0.07 -4.09 0.02 0.00 -2.06 0.00 0.00 37.83 31.77 2qri s LYS 48 CO 0.55 -1.15 -0.16 0.08 0.10 0.00 0.00 175.35 174.77 2qri s VAL 49 N 1.53 1.57 0.23 1.79 1.01 -1.26 -4.68 120.40 120.60 2qri s VAL 49 Ca 0.04 -0.67 -0.09 0.00 0.00 0.00 0.00 61.98 61.26 2qri s VAL 49 Cb -0.26 -1.44 -0.07 0.00 0.00 0.00 0.00 36.38 34.61 2qri s VAL 49 CO 0.03 0.46 0.55 -1.61 0.00 0.00 0.00 175.10 174.52 2qri s GLU 50 N 1.10 3.78 -0.09 2.72 2.02 -0.02 -4.90 118.70 123.31 2qri s GLU 50 Ca -0.04 0.24 0.04 0.00 0.02 0.00 0.00 54.97 55.23 2qri s GLU 50 Cb -0.14 -2.65 -0.00 0.00 0.10 0.00 0.00 34.13 31.44 2qri s GLU 50 CO -0.04 0.31 -0.23 -1.64 0.02 0.00 0.00 175.26 173.68 2qri s MET 51 N -2.89 2.85 1.06 1.61 -1.94 -1.26 -1.04 119.30 117.68 2qri s MET 51 Ca 0.47 -0.84 -0.16 0.00 -1.71 0.00 0.00 55.69 53.45 2qri s MET 51 Cb -0.11 -2.19 0.22 0.00 2.01 0.00 0.00 34.83 34.76 2qri s MET 51 CO 0.22 0.19 1.16 -1.54 -0.01 0.00 0.00 175.02 175.04 2qri s SER 52 N 0.30 2.22 0.59 3.03 1.04 0.18 -5.00 113.70 116.05 2qri s SER 52 Ca -0.16 0.72 -0.16 0.00 0.48 0.00 0.00 55.95 56.83 2qri s SER 52 Cb -0.17 -1.06 -0.04 0.00 0.10 0.00 0.00 66.02 64.85 2qri s SER 52 CO 0.08 -3.33 1.05 -1.81 0.98 0.00 0.00 173.24 170.21 2qri s ASP 53 N -4.06 5.84 0.30 7.02 1.01 -1.26 -4.72 116.67 120.80 2qri s ASP 53 Ca 0.69 1.80 -0.13 0.00 0.71 0.00 0.00 52.55 55.61 2qri s ASP 53 Cb -0.11 -2.53 -0.08 0.00 1.01 0.00 0.00 42.92 41.20 2qri s ASP 53 CO 0.55 -1.13 0.69 -0.32 0.21 0.00 0.00 175.17 175.17 2qri s MET 54 N -4.08 3.94 0.27 8.23 1.75 -1.26 -4.70 119.30 123.46 2qri s MET 54 Ca 0.63 0.56 0.04 0.00 -1.25 0.00 0.00 55.69 55.67 2qri s MET 54 Cb -0.16 -2.48 -0.03 0.00 2.84 0.00 0.00 34.83 35.00 2qri s MET 54 CO 0.37 0.19 0.21 -1.12 -0.65 0.00 0.00 175.02 174.02 2qri s SER 55 N -2.32 1.02 0.03 1.11 0.01 -0.94 -5.01 113.70 107.60 2qri s SER 55 Ca 0.52 -1.60 0.01 0.00 1.31 0.00 0.00 55.95 56.19 2qri s SER 55 Cb -0.10 0.48 -0.02 0.00 0.21 0.00 0.00 66.02 66.58 2qri s SER 55 CO 0.19 -0.96 -0.05 0.72 0.41 0.00 0.00 173.24 173.55 2qri s PHE 56 N -3.76 0.41 0.79 2.43 -0.12 -1.26 -1.08 117.98 115.40 2qri s PHE 56 Ca 0.40 -0.54 -0.07 0.00 -0.05 0.00 0.00 56.93 56.66 2qri s PHE 56 Cb 0.04 -0.27 0.13 0.00 -0.63 0.00 0.00 43.02 42.29 2qri s PHE 56 CO 0.21 -0.16 1.11 -1.12 -0.05 0.00 0.00 175.22 175.20 2qri s SER 57 N -1.57 4.07 0.48 1.98 0.01 0.11 -4.92 113.70 113.85 2qri s SER 57 Ca -0.13 0.07 0.33 0.00 1.31 0.00 0.00 55.95 57.53 2qri s SER 57 Cb -0.09 -0.42 1.53 0.00 0.21 0.00 0.00 66.02 67.25 2qri s SER 57 CO -0.01 -2.07 1.98 0.07 0.41 0.00 0.00 173.24 173.62 2qri h LYS 58 N -0.91 0.00 -0.52 12.44 2.10 -2.02 0.48 116.57 128.13 2qri h LYS 58 Ca -0.41 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.24 2qri h LYS 58 Cb 1.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 2qri h LYS 58 CO 0.45 0.00 0.00 -0.40 -2.00 0.00 0.00 179.45 177.50 2qri n ASP 59 N -2.78 2.41 0.00 7.07 5.68 -1.26 -4.90 116.55 122.77 2qri n ASP 59 Ca -0.00 -2.17 0.00 0.00 -0.50 0.00 0.00 54.79 52.12 2qri n ASP 59 Cb 0.19 -0.37 0.00 0.00 -1.14 0.00 0.00 41.12 39.80 2qri n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 2qri n TRP 60 N 0.44 0.00 -2.68 2.11 7.02 0.16 -5.00 117.44 119.49 2qri n TRP 60 Ca 0.12 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.27 2qri n TRP 60 Cb 0.45 -0.23 -0.05 0.00 -2.42 0.00 0.00 31.31 29.06 2qri n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2qri s SER 61 N -3.49 6.67 0.41 -0.99 1.04 -1.26 -4.62 113.70 111.47 2qri s SER 61 Ca 0.00 1.82 -0.01 0.00 0.48 0.00 0.00 55.95 58.24 2qri s SER 61 Cb 0.00 -2.55 -0.03 0.00 0.10 0.00 0.00 66.02 63.54 2qri s SER 61 CO 0.00 -0.55 0.65 -0.36 0.98 0.00 0.00 173.24 173.96 2qri s PHE 62 N -2.04 3.46 -0.00 5.02 0.40 -0.11 0.04 117.98 124.75 2qri s PHE 62 Ca 0.64 0.46 -0.16 0.00 -0.60 0.00 0.00 56.93 57.27 2qri s PHE 62 Cb -0.13 -2.11 0.03 0.00 0.51 0.00 0.00 43.02 41.31 2qri s PHE 62 CO 0.17 -0.11 0.34 1.52 0.70 0.00 0.00 175.22 177.85 2qri s TYR 63 N -2.50 -0.20 0.06 0.36 1.13 -0.24 -2.05 117.35 113.91 2qri s TYR 63 Ca 0.44 0.27 -0.24 0.00 -1.41 0.00 0.00 57.07 56.13 2qri s TYR 63 Cb -0.10 0.12 0.06 0.00 -1.10 0.00 0.00 41.96 40.94 2qri s TYR 63 CO 0.39 -0.43 0.57 -1.50 -2.51 0.00 0.00 175.55 172.06 2qri s ILE 64 N -1.58 0.02 -0.14 -3.49 2.07 0.41 -2.21 121.20 116.29 2qri s ILE 64 Ca -0.12 -0.15 0.02 0.00 -1.41 0.00 0.00 60.65 59.00 2qri s ILE 64 Cb -0.04 -0.99 0.01 0.00 0.13 0.00 0.00 42.46 41.57 2qri s ILE 64 CO 0.03 -0.08 -0.22 -0.22 -1.91 0.00 0.00 174.94 172.54 2qri s LEU 65 N -2.07 2.13 0.02 8.50 2.96 -1.26 -1.04 118.68 127.92 2qri s LEU 65 Ca -0.04 -0.60 0.02 0.00 -0.22 0.00 0.00 54.13 53.29 2qri s LEU 65 Cb -0.01 -1.45 -0.04 0.00 0.50 0.00 0.00 46.19 45.20 2qri s LEU 65 CO -0.03 0.08 0.01 0.00 -1.32 0.00 0.00 176.35 175.09 2qri s ALA 66 N 0.82 3.33 0.05 5.97 0.00 0.09 -0.65 121.76 131.37 2qri s ALA 66 Ca -0.07 -0.98 -0.20 0.00 0.00 0.00 0.00 51.96 50.72 2qri s ALA 66 Cb -0.15 -1.34 0.04 0.00 0.00 0.00 0.00 23.12 21.67 2qri s ALA 66 CO -0.02 0.67 0.46 -3.38 0.00 0.00 0.00 175.76 173.48 2qri s HIS 67 N -1.15 -0.33 -0.03 0.00 -3.43 -0.21 -0.24 115.29 109.91 2qri s HIS 67 Ca 0.21 0.32 -0.11 0.00 -0.80 0.00 0.00 55.06 54.68 2qri s HIS 67 Cb -0.12 0.27 0.02 0.00 -1.43 0.00 0.00 32.58 31.32 2qri s HIS 67 CO 0.13 -0.61 0.24 -0.08 -2.00 0.00 0.00 174.74 172.42 2qri s THR 68 N -2.52 0.05 0.41 -5.38 -1.32 -0.30 -0.84 115.64 105.74 2qri s THR 68 Ca -0.05 -0.45 -0.23 0.00 -1.21 0.00 0.00 61.69 59.75 2qri s THR 68 Cb -0.01 -0.50 -0.09 0.00 -1.51 0.00 0.00 72.50 70.39 2qri s THR 68 CO -0.03 -0.25 1.03 -1.61 -2.21 0.00 0.00 174.62 171.56 2qri s GLU 69 N -1.04 4.13 0.09 7.08 2.02 -1.26 -0.69 118.70 129.03 2qri s GLU 69 Ca -0.11 1.44 -0.26 0.00 0.02 0.00 0.00 54.97 56.06 2qri s GLU 69 Cb -0.05 -2.45 0.08 0.00 0.10 0.00 0.00 34.13 31.81 2qri s GLU 69 CO 0.03 -0.16 0.80 -0.59 0.02 0.00 0.00 175.26 175.36 2qri s PHE 70 N -1.75 -0.35 -0.31 1.61 -0.71 -0.79 -4.85 117.98 110.82 2qri s PHE 70 Ca 0.59 0.14 0.01 0.00 -1.04 0.00 0.00 56.93 56.63 2qri s PHE 70 Cb -0.20 0.58 0.10 0.00 -1.21 0.00 0.00 43.02 42.28 2qri s PHE 70 CO 0.25 -0.74 0.07 0.99 -1.34 0.00 0.00 175.22 174.45 2qri s THR 71 N -3.39 1.41 0.62 -4.49 2.01 -1.26 0.48 115.64 111.02 2qri s THR 71 Ca 0.06 -1.70 -0.19 0.00 0.31 0.00 0.00 61.69 60.16 2qri s THR 71 Cb -0.01 -2.02 -0.02 0.00 0.01 0.00 0.00 72.50 70.45 2qri s THR 71 CO -0.07 -0.60 1.31 -2.16 -0.69 0.00 0.00 174.62 172.42 2qri s PRO 72 N 1.35 2.73 0.25 4.92 0.04 -1.26 -4.76 135.00 138.28 2qri s PRO 72 Ca 0.09 2.12 0.02 0.00 0.04 0.00 0.00 61.00 63.27 2qri s PRO 72 Cb -0.18 -1.97 -0.05 0.00 0.04 0.00 0.00 34.50 32.34 2qri s PRO 72 CO -0.17 -1.47 0.05 0.95 0.04 0.00 0.00 177.00 176.39 2qri s THR 73 N -1.37 0.81 0.36 1.26 -4.23 -1.26 -1.05 115.64 110.16 2qri s THR 73 Ca 0.79 -2.01 0.05 0.00 -1.18 0.00 0.00 61.69 59.34 2qri s THR 73 Cb -0.38 -2.49 0.21 0.00 1.34 0.00 0.00 72.50 71.18 2qri s THR 73 CO 0.42 -0.18 1.96 -0.08 -0.54 0.00 0.00 174.62 176.21 2qri h GLU 74 N 2.42 0.60 0.00 3.99 4.81 -1.97 -3.33 114.58 121.11 2qri h GLU 74 Ca -0.38 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 2qri h GLU 74 Cb 1.23 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.50 2qri h GLU 74 CO 0.63 0.50 -1.01 0.25 -0.73 0.00 0.00 179.01 178.65 2qri n THR 75 N -4.38 0.00 -2.11 0.32 -2.24 -1.26 -4.99 114.28 99.62 2qri n THR 75 Ca 0.03 -0.24 -0.42 0.00 -2.27 0.00 0.00 64.05 61.15 2qri n THR 75 Cb 0.14 0.67 -0.03 0.00 -2.10 0.00 0.00 70.33 69.02 2qri n THR 75 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2qri s ASP 76 N -2.74 6.76 -0.14 3.42 1.01 -1.25 -5.01 116.67 118.72 2qri s ASP 76 Ca 0.01 2.26 -0.07 0.00 0.71 0.00 0.00 52.55 55.46 2qri s ASP 76 Cb 0.09 -2.56 -0.04 0.00 1.01 0.00 0.00 42.92 41.42 2qri s ASP 76 CO 0.53 -0.77 0.13 0.42 0.21 0.00 0.00 175.17 175.69 2qri s THR 77 N 2.37 5.40 0.20 -1.27 -4.23 -1.26 -4.77 115.64 112.08 2qri s THR 77 Ca 0.67 0.17 0.11 0.00 -1.18 0.00 0.00 61.69 61.47 2qri s THR 77 Cb -0.35 -3.38 -0.04 0.00 1.34 0.00 0.00 72.50 70.07 2qri s THR 77 CO 0.29 0.57 -0.21 -0.31 -0.54 0.00 0.00 174.62 174.42 2qri s TYR 78 N -0.64 2.35 0.21 3.99 1.51 -1.26 -0.24 117.35 123.27 2qri s TYR 78 Ca 0.13 -0.33 -0.16 0.00 -1.01 0.00 0.00 57.07 55.69 2qri s TYR 78 Cb -0.12 -1.14 0.02 0.00 -0.11 0.00 0.00 41.96 40.61 2qri s TYR 78 CO 0.02 0.53 0.52 0.00 -1.11 0.00 0.00 175.55 175.51 2qri s ALA 79 N -1.79 -0.77 -0.05 3.71 0.00 -0.63 -1.25 121.76 120.98 2qri s ALA 79 Ca 0.23 -0.39 0.04 0.00 0.00 0.00 0.00 51.96 51.83 2qri s ALA 79 Cb -0.08 0.89 0.00 0.00 0.00 0.00 0.00 23.12 23.93 2qri s ALA 79 CO 0.11 -0.82 -0.16 0.00 0.00 0.00 0.00 175.76 174.89 2qri s ARG 81 N 0.17 2.74 -0.09 0.00 3.52 0.81 -0.44 118.95 125.66 2qri s ARG 81 Ca -0.06 -0.80 0.03 0.00 -0.13 0.00 0.00 55.73 54.77 2qri s ARG 81 Cb -0.12 -2.12 0.00 0.00 -1.56 0.00 0.00 34.95 31.15 2qri s ARG 81 CO 0.03 0.18 -0.21 0.08 -0.81 0.00 0.00 175.30 174.57 2qri s VAL 82 N 0.32 1.82 -0.19 7.11 1.01 0.73 -1.34 120.40 129.85 2qri s VAL 82 Ca -0.16 -0.87 -0.04 0.00 0.00 0.00 0.00 61.98 60.90 2qri s VAL 82 Cb -0.17 -1.59 -0.02 0.00 0.00 0.00 0.00 36.38 34.60 2qri s VAL 82 CO 0.07 0.51 -0.02 -0.75 0.00 0.00 0.00 175.10 174.91 2qri s LYS 83 N 0.45 3.57 -0.09 2.72 2.20 0.38 -0.37 119.74 128.59 2qri s LYS 83 Ca -0.17 -0.55 -0.14 0.00 -0.36 0.00 0.00 55.97 54.75 2qri s LYS 83 Cb -0.17 -3.01 0.03 0.00 -1.51 0.00 0.00 37.83 33.17 2qri s LYS 83 CO 0.07 0.03 0.36 -1.58 -0.36 0.00 0.00 175.35 173.87 2qri s HIS 84 N 0.92 -0.34 0.57 4.03 2.46 -1.26 -1.36 115.29 120.32 2qri s HIS 84 Ca 0.00 0.76 0.32 0.00 0.47 0.00 0.00 55.06 56.61 2qri s HIS 84 Cb -0.14 0.13 1.42 0.00 -0.13 0.00 0.00 32.58 33.86 2qri s HIS 84 CO 0.01 -0.27 1.74 0.00 -2.47 0.00 0.00 174.74 173.76 2qri h ALA 85 N 4.92 2.77 0.00 1.58 0.00 -1.94 0.27 119.26 126.86 2qri h ALA 85 Ca -0.28 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2qri h ALA 85 Cb 1.18 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2qri h ALA 85 CO 0.32 -1.27 0.00 -1.13 0.00 0.00 0.00 179.25 177.17 2qri n SER 86 N -3.83 0.00 -4.27 0.00 3.41 -1.26 -4.76 113.62 102.90 2qri n SER 86 Ca 0.19 0.49 -0.27 0.00 -0.26 0.00 0.00 58.87 59.02 2qri n SER 86 Cb 1.11 -0.50 -0.15 0.00 -0.26 0.00 0.00 64.21 64.41 2qri n SER 86 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 2qri s MET 87 N -3.00 1.61 0.25 4.33 -1.94 0.08 -4.88 119.30 115.75 2qri s MET 87 Ca 0.10 -0.94 -0.01 0.00 -1.71 0.00 0.00 55.69 53.14 2qri s MET 87 Cb 0.14 -1.69 0.31 0.00 2.01 0.00 0.00 34.83 35.59 2qri s MET 87 CO 0.38 0.44 1.68 0.00 -0.01 0.00 0.00 175.02 177.52 2qri h ALA 88 N 5.07 1.00 -2.84 3.03 0.00 -1.86 -3.44 119.26 120.23 2qri h ALA 88 Ca -0.43 -0.35 -0.37 0.00 0.00 0.00 0.00 54.91 53.76 2qri h ALA 88 Cb 1.15 -0.14 -0.18 0.00 0.00 0.00 0.00 17.79 18.61 2qri h ALA 88 CO 0.45 0.59 -0.75 -1.21 0.00 0.00 0.00 179.25 178.33 2qri s GLU 89 N -4.58 0.93 0.53 0.00 8.01 -1.26 -5.09 118.70 117.23 2qri s GLU 89 Ca -0.08 -1.19 -0.22 0.00 0.01 0.00 0.00 54.97 53.49 2qri s GLU 89 Cb 0.13 -0.72 -0.06 0.00 -4.31 0.00 0.00 34.13 29.18 2qri s GLU 89 CO 0.81 0.13 1.29 -2.30 0.01 0.00 0.00 175.26 175.20 2qri n PRO 90 N 0.58 1.63 -3.82 0.39 -0.02 -1.26 -4.87 135.00 127.62 2qri n PRO 90 Ca -0.16 0.60 -0.36 0.00 -2.02 0.00 0.00 63.50 61.56 2qri n PRO 90 Cb 0.57 -2.48 -0.10 0.00 -0.02 0.00 0.00 33.50 31.47 2qri n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2qri s LYS 91 N -2.73 3.96 -0.21 -0.52 2.47 0.50 -4.88 119.74 118.33 2qri s LYS 91 Ca 0.70 -0.33 -0.05 0.00 -1.56 0.00 0.00 55.97 54.72 2qri s LYS 91 Cb -0.44 -3.37 -0.02 0.00 -1.46 0.00 0.00 37.83 32.54 2qri s LYS 91 CO 0.51 0.11 0.01 0.99 0.16 0.00 0.00 175.35 177.13 2qri s THR 92 N 0.86 3.99 -0.16 3.43 2.01 -1.26 -0.19 115.64 124.31 2qri s THR 92 Ca 0.05 -0.30 0.01 0.00 0.31 0.00 0.00 61.69 61.77 2qri s THR 92 Cb -0.13 -2.81 0.01 0.00 0.01 0.00 0.00 72.50 69.57 2qri s THR 92 CO 0.03 0.42 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.50 2qri s VAL 93 N 1.09 2.38 0.17 3.82 1.01 0.42 -4.96 120.40 124.33 2qri s VAL 93 Ca 0.03 -0.86 -0.18 0.00 0.00 0.00 0.00 61.98 60.96 2qri s VAL 93 Cb -0.14 -1.99 -0.08 0.00 0.00 0.00 0.00 36.38 34.17 2qri s VAL 93 CO 0.02 0.53 0.65 -0.31 0.00 0.00 0.00 175.10 175.99 2qri s TYR 94 N 0.91 3.68 -0.17 5.22 1.51 -1.26 -0.70 117.35 126.54 2qri s TYR 94 Ca -0.04 1.29 -0.29 0.00 -1.01 0.00 0.00 57.07 57.02 2qri s TYR 94 Cb -0.15 -2.54 -0.01 0.00 -0.11 0.00 0.00 41.96 39.15 2qri s TYR 94 CO -0.03 0.41 1.20 -0.46 -1.11 0.00 0.00 175.55 175.57 2qri s TRP 95 N -1.42 2.99 -0.37 2.71 -0.00 -0.38 -4.86 118.94 117.62 2qri s TRP 95 Ca 0.39 1.14 0.03 0.00 -0.00 0.00 0.00 56.10 57.66 2qri s TRP 95 Cb -0.17 -3.44 0.10 0.00 -0.00 0.00 0.00 33.47 29.96 2qri s TRP 95 CO 0.20 -1.37 0.09 0.16 -0.00 0.00 0.00 176.95 176.03 2qri s ASP 96 N 1.75 4.76 0.34 5.86 -4.77 -1.26 -4.72 116.67 118.63 2qri s ASP 96 Ca 0.52 -2.25 0.01 0.00 -3.30 0.00 0.00 52.55 47.54 2qri s ASP 96 Cb -0.20 -1.65 0.59 0.00 -1.09 0.00 0.00 42.92 40.57 2qri s ASP 96 CO 0.13 -0.38 1.98 0.08 0.70 0.00 0.00 175.17 177.69 2qri h ARG 97 N 7.52 0.86 0.31 2.11 0.11 -1.94 -3.25 114.38 120.10 2qri h ARG 97 Ca -0.05 -0.07 -0.02 0.00 0.10 0.00 0.00 59.98 59.95 2qri h ARG 97 Cb 1.01 -0.19 0.00 0.00 1.11 0.00 0.00 29.97 31.90 2qri h ARG 97 CO 0.55 0.59 -0.15 0.38 0.10 0.00 0.00 179.97 181.45 2qri h ASP 98 N 0.88 -0.35 -3.35 0.08 2.03 -2.03 -3.50 116.42 110.18 2qri h ASP 98 Ca 0.23 -0.18 -0.59 0.00 -0.73 0.00 0.00 57.03 55.76 2qri h ASP 98 Cb -0.06 0.09 -0.11 0.00 -0.83 0.00 0.00 39.33 38.43 2qri h ASP 98 CO -0.05 0.04 -0.31 -0.04 -1.03 0.00 0.00 179.24 177.85 2qri s MET 99 N -4.46 4.23 1.53 4.15 -1.94 -1.23 -5.04 119.30 116.55 2qri s MET 99 Ca -0.14 0.10 0.00 0.00 -1.71 0.00 0.00 55.69 53.95 2qri s MET 99 Cb 0.02 -3.46 0.00 0.00 2.01 0.00 0.00 34.83 33.40 2qri s MET 99 CO 0.52 0.17 0.00 0.41 -0.01 0.00 0.00 175.02 176.11 2qri n GLY 1 N 3.56 1.69 3.55 -0.03 0.00 -1.26 -4.97 105.19 107.74 2qri n GLY 1 Ca -0.11 0.19 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 2qri n GLY 1 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2qri s PRO 2 N 0.00 2.56 0.98 1.61 0.04 -1.26 -4.20 135.00 134.74 2qri s PRO 2 Ca 0.00 0.46 -0.16 0.00 0.04 0.00 0.00 61.00 61.35 2qri s PRO 2 Cb 0.00 -4.55 0.19 0.00 0.04 0.00 0.00 34.50 30.19 2qri s PRO 2 CO 0.00 -2.93 1.23 -1.01 0.04 0.00 0.00 177.00 174.33 2qri s HIS 3 N 9.57 1.67 0.02 0.56 3.76 0.40 -4.75 115.29 126.52 2qri s HIS 3 Ca 0.70 0.49 -0.23 0.00 -0.15 0.00 0.00 55.06 55.87 2qri s HIS 3 Cb -0.12 -3.80 0.05 0.00 1.11 0.00 0.00 32.58 29.82 2qri s HIS 3 CO 0.16 -2.75 0.51 -1.54 -0.85 0.00 0.00 174.74 170.27 2qri s SER 4 N -4.52 -0.44 -0.22 1.40 1.04 -1.26 -0.18 113.70 109.52 2qri s SER 4 Ca 0.70 0.27 -0.01 0.00 0.48 0.00 0.00 55.95 57.39 2qri s SER 4 Cb -0.08 0.47 0.06 0.00 0.10 0.00 0.00 66.02 66.58 2qri s SER 4 CO 0.53 -0.65 0.00 -0.22 0.98 0.00 0.00 173.24 173.88 2qri s LEU 5 N -1.71 1.94 -0.00 2.42 2.96 0.27 -1.13 118.68 123.42 2qri s LEU 5 Ca -0.08 -1.06 0.04 0.00 -0.22 0.00 0.00 54.13 52.81 2qri s LEU 5 Cb -0.01 -0.89 -0.01 0.00 0.50 0.00 0.00 46.19 45.77 2qri s LEU 5 CO 0.02 -0.28 -0.13 -0.13 -1.32 0.00 0.00 176.35 174.50 2qri s ARG 6 N 1.62 1.02 -0.12 1.98 0.52 -0.16 -0.80 118.95 123.02 2qri s ARG 6 Ca -0.02 -0.49 -0.01 0.00 -0.52 0.00 0.00 55.73 54.69 2qri s ARG 6 Cb -0.18 -0.99 -0.02 0.00 0.52 0.00 0.00 34.95 34.28 2qri s ARG 6 CO -0.08 0.27 -0.10 0.71 0.02 0.00 0.00 175.30 176.12 2qri s TYR 7 N -0.37 2.87 -0.27 -0.53 2.02 0.65 -0.25 117.35 121.48 2qri s TYR 7 Ca 0.04 -0.42 -0.06 0.00 -0.37 0.00 0.00 57.07 56.27 2qri s TYR 7 Cb -0.05 -1.84 0.00 0.00 -0.40 0.00 0.00 41.96 39.67 2qri s TYR 7 CO -0.00 -0.06 0.03 -0.06 -1.57 0.00 0.00 175.55 173.89 2qri s PHE 8 N 0.11 3.09 -0.09 2.71 0.40 0.81 -1.95 117.98 123.05 2qri s PHE 8 Ca -0.04 -0.95 0.01 0.00 -0.60 0.00 0.00 56.93 55.35 2qri s PHE 8 Cb -0.14 -2.19 -0.03 0.00 0.51 0.00 0.00 43.02 41.17 2qri s PHE 8 CO 0.04 -0.55 -0.10 0.08 0.70 0.00 0.00 175.22 175.39 2qri s VAL 9 N 1.49 3.41 -0.05 -0.44 1.01 -0.03 -1.18 120.40 124.61 2qri s VAL 9 Ca 0.04 -0.57 0.02 0.00 0.00 0.00 0.00 61.98 61.46 2qri s VAL 9 Cb -0.16 -2.40 0.02 0.00 0.00 0.00 0.00 36.38 33.83 2qri s VAL 9 CO 0.01 0.57 -0.08 -0.89 0.00 0.00 0.00 175.10 174.70 2qri s THR 10 N -0.40 0.80 -0.16 3.92 2.01 -0.56 -1.50 115.64 119.76 2qri s THR 10 Ca 0.05 -0.30 -0.00 0.00 0.31 0.00 0.00 61.69 61.75 2qri s THR 10 Cb -0.12 -0.76 0.04 0.00 0.01 0.00 0.00 72.50 71.66 2qri s THR 10 CO 0.02 0.28 -0.06 0.00 -0.69 0.00 0.00 174.62 174.17 2qri s ALA 11 N 0.68 1.48 -0.16 7.40 0.00 -0.13 -0.94 121.76 130.08 2qri s ALA 11 Ca -0.11 -0.79 0.01 0.00 0.00 0.00 0.00 51.96 51.07 2qri s ALA 11 Cb -0.14 -1.09 0.02 0.00 0.00 0.00 0.00 23.12 21.92 2qri s ALA 11 CO 0.02 -0.71 -0.18 0.08 0.00 0.00 0.00 175.76 174.97 2qri s VAL 12 N 1.64 1.87 0.43 0.00 1.01 -0.07 -0.93 120.40 124.35 2qri s VAL 12 Ca 0.02 -0.83 -0.22 0.00 0.00 0.00 0.00 61.98 60.95 2qri s VAL 12 Cb -0.15 -1.71 -0.10 0.00 0.00 0.00 0.00 36.38 34.43 2qri s VAL 12 CO -0.08 0.51 0.99 -0.94 0.00 0.00 0.00 175.10 175.58 2qri s SER 13 N 1.32 6.75 -0.42 3.32 1.04 -0.14 -0.72 113.70 124.85 2qri s SER 13 Ca 0.04 1.83 0.07 0.00 0.48 0.00 0.00 55.95 58.37 2qri s SER 13 Cb -0.13 -2.56 0.23 0.00 0.10 0.00 0.00 66.02 63.66 2qri s SER 13 CO -0.11 -0.49 0.49 0.54 0.98 0.00 0.00 173.24 174.65 2qri n ARG 14 N -0.56 0.73 -1.69 4.02 1.74 -1.26 -3.86 116.66 115.79 2qri n ARG 14 Ca 0.07 -3.33 -0.45 0.00 -0.77 0.00 0.00 57.85 53.38 2qri n ARG 14 Cb 0.53 -1.40 -0.03 0.00 -1.02 0.00 0.00 32.46 30.53 2qri n ARG 14 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 2qri n PRO 15 N 1.70 2.28 -1.11 5.56 -0.02 -1.26 -1.37 135.00 140.78 2qri n PRO 15 Ca 0.24 0.82 -0.04 0.00 -2.02 0.00 0.00 63.50 62.50 2qri n PRO 15 Cb 0.51 -2.57 -0.02 0.00 -0.02 0.00 0.00 33.50 31.40 2qri n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qri n GLY 16 N 3.01 0.68 0.38 -1.23 0.00 -1.26 -4.83 105.19 101.94 2qri n GLY 16 Ca 0.14 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.42 2qri n GLY 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qri n LEU 17 N -0.44 0.00 0.00 0.99 4.77 -0.47 -5.15 117.00 116.70 2qri n LEU 17 Ca -0.04 -0.80 0.00 0.00 -0.03 0.00 0.00 56.01 55.14 2qri n LEU 17 Cb 0.14 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 2qri n LEU 17 CO 0.06 0.42 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 2qri n GLY 18 N 0.00 -1.79 3.72 -0.72 0.00 -1.20 -4.98 105.19 100.21 2qri n GLY 18 Ca 0.00 -1.94 -0.32 0.00 0.00 0.00 0.00 46.02 43.77 2qri n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qri s GLU 19 N 0.00 1.73 0.47 1.61 0.41 -1.26 -4.38 118.70 117.27 2qri s GLU 19 Ca 0.00 1.44 -0.24 0.00 -0.41 0.00 0.00 54.97 55.76 2qri s GLU 19 Cb 0.00 -1.82 -0.07 0.00 -1.78 0.00 0.00 34.13 30.46 2qri s GLU 19 CO 0.00 -2.09 1.36 -2.14 -0.49 0.00 0.00 175.26 171.90 2qri s PRO 20 N -4.59 3.58 -0.11 0.39 0.02 -1.26 -4.60 135.00 128.43 2qri s PRO 20 Ca 0.66 2.25 -0.21 0.00 0.02 0.00 0.00 61.00 63.72 2qri s PRO 20 Cb -0.22 -2.53 -0.04 0.00 0.02 0.00 0.00 34.50 31.74 2qri s PRO 20 CO 0.54 -0.84 0.62 0.50 -0.33 0.00 0.00 177.00 177.49 2qri s ARG 21 N -2.57 4.36 -0.07 5.54 3.52 0.10 -4.87 118.95 124.96 2qri s ARG 21 Ca 0.64 0.70 0.05 0.00 -0.13 0.00 0.00 55.73 56.99 2qri s ARG 21 Cb -0.40 -3.47 -0.00 0.00 -1.56 0.00 0.00 34.95 29.51 2qri s ARG 21 CO 0.50 0.03 -0.22 -0.47 -0.81 0.00 0.00 175.30 174.32 2qri s TYR 22 N 0.99 2.28 0.00 5.12 5.04 -1.26 -0.89 117.35 128.63 2qri s TYR 22 Ca 0.32 -0.78 -0.01 0.00 -2.44 0.00 0.00 57.07 54.16 2qri s TYR 22 Cb -0.17 -1.52 -0.00 0.00 0.35 0.00 0.00 41.96 40.62 2qri s TYR 22 CO 0.14 -0.28 0.01 -1.64 -1.34 0.00 0.00 175.55 172.44 2qri s MET 23 N 0.11 0.13 -0.09 4.97 -1.94 -0.11 -0.90 119.30 121.48 2qri s MET 23 Ca -0.10 -0.19 0.01 0.00 -1.71 0.00 0.00 55.69 53.71 2qri s MET 23 Cb -0.15 0.05 0.02 0.00 2.01 0.00 0.00 34.83 36.76 2qri s MET 23 CO 0.05 -0.02 -0.12 -1.21 -0.01 0.00 0.00 175.02 173.71 2qri s GLU 24 N -0.51 1.86 -0.10 2.03 2.02 -0.28 -1.49 118.70 122.22 2qri s GLU 24 Ca -0.06 -0.43 0.01 0.00 0.02 0.00 0.00 54.97 54.51 2qri s GLU 24 Cb -0.04 -1.63 0.02 0.00 0.10 0.00 0.00 34.13 32.58 2qri s GLU 24 CO -0.00 -0.07 -0.12 0.08 0.02 0.00 0.00 175.26 175.16 2qri s VAL 25 N 1.02 1.29 0.00 2.63 1.01 -0.33 -0.13 120.40 125.90 2qri s VAL 25 Ca -0.07 -0.51 -0.02 0.00 0.00 0.00 0.00 61.98 61.38 2qri s VAL 25 Cb -0.15 -1.21 -0.04 0.00 0.00 0.00 0.00 36.38 34.98 2qri s VAL 25 CO -0.01 0.40 0.18 -0.83 0.00 0.00 0.00 175.10 174.84 2qri s GLY 26 N 1.14 2.16 -0.03 4.51 0.00 0.09 -0.13 107.32 115.05 2qri s GLY 26 Ca -0.05 -0.79 0.01 0.00 0.00 0.00 0.00 44.72 43.89 2qri s GLY 26 CO -0.03 -0.69 -0.03 -0.19 0.00 0.00 0.00 173.10 172.15 2qri s TYR 27 N -1.34 0.57 -0.22 1.90 1.51 0.66 -1.61 117.35 118.81 2qri s TYR 27 Ca 0.28 -0.12 -0.04 0.00 -1.01 0.00 0.00 57.07 56.18 2qri s TYR 27 Cb -0.13 -0.51 -0.01 0.00 -0.11 0.00 0.00 41.96 41.20 2qri s TYR 27 CO 0.20 -0.13 -0.05 0.08 -1.11 0.00 0.00 175.55 174.54 2qri s VAL 28 N 0.70 3.31 -1.49 0.71 1.01 -0.82 -0.98 120.40 122.84 2qri s VAL 28 Ca -0.08 -0.53 -0.10 0.00 0.00 0.00 0.00 61.98 61.27 2qri s VAL 28 Cb -0.12 -2.51 0.07 0.00 0.00 0.00 0.00 36.38 33.82 2qri s VAL 28 CO -0.00 0.42 0.86 0.47 0.00 0.00 0.00 175.10 176.84 2qri n ASP 29 N 4.79 -3.47 -1.34 3.32 8.00 -0.29 -1.64 116.55 125.92 2qri n ASP 29 Ca -0.18 -0.83 -0.14 0.00 0.71 0.00 0.00 54.79 54.35 2qri n ASP 29 Cb 0.51 -3.75 -0.03 0.00 -0.02 0.00 0.00 41.12 37.83 2qri n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2qri n ASP 30 N -2.88 -4.42 -3.94 -2.24 8.00 -1.26 -5.00 116.55 104.81 2qri n ASP 30 Ca -0.06 0.14 -0.24 0.00 0.71 0.00 0.00 54.79 55.34 2qri n ASP 30 Cb 0.57 -3.39 -0.17 0.00 -0.02 0.00 0.00 41.12 38.11 2qri n ASP 30 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2qri s THR 31 N -2.61 0.90 0.19 -3.53 -4.23 -0.65 -5.08 115.64 100.62 2qri s THR 31 Ca 0.00 -0.29 -0.32 0.00 -1.18 0.00 0.00 61.69 59.90 2qri s THR 31 Cb 0.00 -0.88 -0.12 0.00 1.34 0.00 0.00 72.50 72.84 2qri s THR 31 CO 0.00 0.32 1.76 -0.70 -0.54 0.00 0.00 174.62 175.46 2qri s GLU 32 N 1.13 4.12 0.00 3.99 2.12 -1.26 -1.95 118.70 126.85 2qri s GLU 32 Ca -0.07 2.62 0.00 0.00 0.36 0.00 0.00 54.97 57.88 2qri s GLU 32 Cb -0.14 -3.22 0.00 0.00 0.26 0.00 0.00 34.13 31.03 2qri s GLU 32 CO -0.01 -0.78 0.00 1.97 -0.54 0.00 0.00 175.26 175.89 2qri n PHE 33 N 4.46 0.00 -3.82 5.30 -1.74 -0.63 -4.35 117.46 116.67 2qri n PHE 33 Ca 0.17 0.00 -0.11 0.00 -0.56 0.00 0.00 57.45 56.94 2qri n PHE 33 Cb 0.36 0.00 -0.09 0.00 1.52 0.00 0.00 39.48 41.27 2qri n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 2qri s VAL 34 N -1.45 0.09 -0.22 1.97 -7.23 -1.24 -0.40 120.40 111.92 2qri s VAL 34 Ca 0.00 -0.76 -0.17 0.00 -1.81 0.00 0.00 61.98 59.25 2qri s VAL 34 Cb 0.00 -0.78 0.06 0.00 0.56 0.00 0.00 36.38 36.22 2qri s VAL 34 CO 0.00 -0.42 0.56 -0.60 -0.31 0.00 0.00 175.10 174.33 2qri s ARG 35 N -2.14 0.61 -0.11 4.82 3.52 -0.79 -0.73 118.95 124.13 2qri s ARG 35 Ca -0.08 0.88 0.03 0.00 -0.13 0.00 0.00 55.73 56.43 2qri s ARG 35 Cb -0.03 0.21 0.01 0.00 -1.56 0.00 0.00 34.95 33.58 2qri s ARG 35 CO -0.01 -0.11 -0.21 0.12 -0.81 0.00 0.00 175.30 174.27 2qri s PHE 36 N 0.81 2.42 -0.15 5.12 2.19 0.82 -1.44 117.98 127.74 2qri s PHE 36 Ca -0.04 -1.06 -0.03 0.00 0.33 0.00 0.00 56.93 56.13 2qri s PHE 36 Cb -0.05 -1.64 0.05 0.00 -1.31 0.00 0.00 43.02 40.07 2qri s PHE 36 CO -0.06 -0.46 0.03 0.34 1.83 0.00 0.00 175.22 176.90 2qri s ASP 37 N 0.56 2.43 0.53 6.13 -1.08 -1.26 -1.13 116.67 122.85 2qri s ASP 37 Ca -0.14 -0.56 0.36 0.00 -0.52 0.00 0.00 52.55 51.68 2qri s ASP 37 Cb -0.17 -0.51 1.88 0.00 -1.46 0.00 0.00 42.92 42.65 2qri s ASP 37 CO 0.05 -0.27 2.09 0.77 0.52 0.00 0.00 175.17 178.32 2qri h SER 38 N 8.29 0.00 -0.13 -0.34 4.64 -1.41 -2.01 113.55 122.58 2qri h SER 38 Ca -0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 2qri h SER 38 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 2qri h SER 38 CO 0.31 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.74 2qri n ASP 39 N -2.80 1.02 -4.79 4.97 8.00 -1.26 -4.78 116.55 116.92 2qri n ASP 39 Ca -0.02 -1.72 -0.38 0.00 0.71 0.00 0.00 54.79 53.39 2qri n ASP 39 Cb 0.10 -0.09 -0.06 0.00 -0.02 0.00 0.00 41.12 41.05 2qri n ASP 39 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qri s ALA 40 N -1.83 3.40 0.54 2.24 0.00 -0.76 -4.91 121.76 120.45 2qri s ALA 40 Ca 0.25 0.31 0.26 0.00 0.00 0.00 0.00 51.96 52.79 2qri s ALA 40 Cb 0.13 -2.94 1.44 0.00 0.00 0.00 0.00 23.12 21.75 2qri s ALA 40 CO 0.20 0.29 1.99 1.05 0.00 0.00 0.00 175.76 179.28 2qri h GLU 41 N 3.84 0.00 -3.42 0.00 4.11 -1.90 -3.03 114.58 114.18 2qri h GLU 41 Ca -0.47 0.00 -0.66 0.00 0.07 0.00 0.00 59.36 58.30 2qri h GLU 41 Cb 1.20 0.00 -0.39 0.00 0.50 0.00 0.00 28.75 30.06 2qri h GLU 41 CO 0.66 0.00 -0.53 1.21 0.07 0.00 0.00 179.01 180.42 2qri s ASN 42 N -6.03 4.67 -0.81 3.06 3.04 -1.26 -5.05 114.94 112.56 2qri s ASN 42 Ca -0.05 -3.05 -0.25 0.00 0.04 0.00 0.00 52.86 49.55 2qri s ASN 42 Cb 0.19 -1.71 0.01 0.00 -1.54 0.00 0.00 41.25 38.19 2qri s ASN 42 CO 0.70 -0.26 1.61 -2.16 -3.04 0.00 0.00 177.10 173.95 2qri s PRO 43 N -0.34 3.01 0.07 0.43 0.04 -1.15 -4.91 135.00 132.15 2qri s PRO 43 Ca 0.18 -0.25 0.02 0.00 0.04 0.00 0.00 61.00 60.98 2qri s PRO 43 Cb -0.22 -4.72 -0.03 0.00 0.04 0.00 0.00 34.50 29.57 2qri s PRO 43 CO -0.02 -2.58 -0.07 1.03 0.04 0.00 0.00 177.00 175.40 2qri s ARG 44 N 6.16 0.68 0.29 4.56 1.81 -1.26 -5.01 118.95 126.17 2qri s ARG 44 Ca 0.53 -1.08 -0.29 0.00 -1.72 0.00 0.00 55.73 53.17 2qri s ARG 44 Cb -0.07 -0.19 -0.10 0.00 -0.45 0.00 0.00 34.95 34.14 2qri s ARG 44 CO 0.07 -0.00 1.14 0.71 -0.68 0.00 0.00 175.30 176.54 2qri s TYR 45 N -2.72 3.47 0.04 -0.53 1.51 -1.26 -4.47 117.35 113.38 2qri s TYR 45 Ca 0.02 1.63 0.03 0.00 -1.01 0.00 0.00 57.07 57.74 2qri s TYR 45 Cb -0.01 -3.37 -0.02 0.00 -0.11 0.00 0.00 41.96 38.45 2qri s TYR 45 CO -0.03 -0.83 -0.08 -1.21 -1.11 0.00 0.00 175.55 172.28 2qri s GLU 46 N -1.48 0.56 0.38 -0.62 2.02 -0.52 -4.96 118.70 114.08 2qri s GLU 46 Ca 0.46 -0.70 -0.26 0.00 0.02 0.00 0.00 54.97 54.49 2qri s GLU 46 Cb -0.34 -0.40 -0.09 0.00 0.10 0.00 0.00 34.13 33.41 2qri s GLU 46 CO 0.43 0.08 1.16 -1.25 0.02 0.00 0.00 175.26 175.70 2qri s PRO 47 N -1.36 4.17 0.00 0.39 0.04 -1.26 -1.89 135.00 135.08 2qri s PRO 47 Ca -0.07 1.82 0.00 0.00 0.04 0.00 0.00 61.00 62.79 2qri s PRO 47 Cb -0.09 -2.76 0.00 0.00 0.04 0.00 0.00 34.50 31.69 2qri s PRO 47 CO 0.01 -0.22 0.19 0.54 0.04 0.00 0.00 177.00 177.56 2qri n ARG 48 N 0.26 3.37 -3.90 4.56 5.12 0.46 -4.87 116.66 121.66 2qri n ARG 48 Ca 0.03 -0.19 -0.27 0.00 -1.93 0.00 0.00 57.85 55.50 2qri n ARG 48 Cb 0.46 -0.66 -0.17 0.00 -1.16 0.00 0.00 32.46 30.93 2qri n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2qri s ALA 49 N -0.54 1.31 0.46 7.54 0.00 -1.19 -4.77 121.76 124.57 2qri s ALA 49 Ca 0.00 -0.54 0.32 0.00 0.00 0.00 0.00 51.96 51.75 2qri s ALA 49 Cb 0.00 -0.91 1.44 0.00 0.00 0.00 0.00 23.12 23.65 2qri s ALA 49 CO 0.00 -0.42 1.65 0.00 0.00 0.00 0.00 175.76 176.99 2qri h ARG 50 N 8.18 0.10 0.00 0.00 2.47 -1.93 0.25 114.38 123.45 2qri h ARG 50 Ca -0.29 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.42 2qri h ARG 50 Cb 1.13 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 29.43 2qri h ARG 50 CO 0.40 0.06 0.00 -2.67 0.56 0.00 0.00 179.97 178.33 2qri n TRP 51 N -4.53 0.21 0.65 3.04 4.27 -1.26 -1.76 117.44 118.06 2qri n TRP 51 Ca 0.36 0.09 0.13 0.00 -3.89 0.00 0.00 57.50 54.19 2qri n TRP 51 Cb 1.43 -0.64 0.42 0.00 -1.36 0.00 0.00 31.31 31.16 2qri n TRP 51 CO 0.00 0.00 0.00 -1.33 -2.29 0.00 0.00 177.69 174.07 2qri n MET 52 N -1.70 0.24 0.00 -2.67 2.81 0.87 -3.20 117.12 113.48 2qri n MET 52 Ca 0.02 0.20 0.05 0.00 -1.81 0.00 0.00 57.70 56.16 2qri n MET 52 Cb 0.13 -1.78 0.27 0.00 -0.71 0.00 0.00 33.22 31.12 2qri n MET 52 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2qri n GLU 53 N -2.21 0.22 0.05 0.03 1.02 -0.72 -1.36 120.64 117.67 2qri n GLU 53 Ca 0.06 0.10 0.13 0.00 -0.02 0.00 0.00 57.16 57.43 2qri n GLU 53 Cb 0.42 -1.50 0.52 0.00 -0.02 0.00 0.00 31.44 30.86 2qri n GLU 53 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2qri n GLN 54 N -1.15 0.11 -3.10 3.49 6.02 -1.19 -4.75 117.38 116.81 2qri n GLN 54 Ca 0.06 0.11 -0.39 0.00 -0.01 0.00 0.00 57.00 56.77 2qri n GLN 54 Cb 0.06 -1.63 -0.06 0.00 1.02 0.00 0.00 30.24 29.62 2qri n GLN 54 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 2qri s GLU 55 N -3.05 4.42 0.71 -1.09 0.41 -0.46 -5.06 118.70 114.58 2qri s GLU 55 Ca 0.12 0.99 -0.08 0.00 -0.41 0.00 0.00 54.97 55.58 2qri s GLU 55 Cb 0.15 -3.26 0.05 0.00 -1.78 0.00 0.00 34.13 29.30 2qri s GLU 55 CO 0.53 0.58 1.05 0.20 -0.49 0.00 0.00 175.26 177.13 2qri s GLY 56 N -1.08 1.65 0.64 -1.39 0.00 -1.26 -4.92 107.32 100.96 2qri s GLY 56 Ca 0.33 -0.77 0.23 0.00 0.00 0.00 0.00 44.72 44.51 2qri s GLY 56 CO 0.23 -0.37 1.64 -0.56 0.00 0.00 0.00 173.10 174.05 2qri h PRO 57 N -0.66 0.00 -0.17 2.90 0.13 -1.97 -0.36 132.00 131.88 2qri h PRO 57 Ca -0.45 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.50 2qri h PRO 57 Cb 1.31 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.44 2qri h PRO 57 CO 0.62 0.00 -0.59 0.93 -0.23 0.00 0.00 178.00 178.73 2qri h GLU 58 N 0.00 0.69 0.37 0.86 5.08 -1.99 -2.13 114.58 117.46 2qri h GLU 58 Ca 0.13 -0.52 -0.02 0.00 -1.00 0.00 0.00 59.36 57.95 2qri h GLU 58 Cb 1.40 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.75 2qri h GLU 58 CO -0.00 1.14 -0.18 -0.92 -1.00 0.00 0.00 179.01 178.06 2qri h TYR 59 N 0.38 -0.45 -0.41 4.33 3.20 -1.42 -1.33 116.97 121.27 2qri h TYR 59 Ca -0.03 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.87 2qri h TYR 59 Cb 1.22 0.15 -0.04 0.00 1.54 0.00 0.00 36.73 39.60 2qri h TYR 59 CO 0.09 -0.27 0.19 -1.49 -1.64 0.00 0.00 178.16 175.05 2qri h TRP 60 N -0.51 0.36 0.13 -3.82 4.06 -1.61 0.33 115.95 114.89 2qri h TRP 60 Ca -0.05 0.02 0.01 0.00 2.06 0.00 0.00 58.89 60.93 2qri h TRP 60 Cb 0.39 -0.10 -0.02 0.00 -1.00 0.00 0.00 29.16 28.43 2qri h TRP 60 CO -0.05 0.18 -0.18 1.49 -3.56 0.00 0.00 178.44 176.32 2qri h GLU 61 N 0.39 -0.35 -0.42 0.49 4.57 -1.34 0.60 114.58 118.52 2qri h GLU 61 Ca 0.18 0.02 0.01 0.00 -1.18 0.00 0.00 59.36 58.39 2qri h GLU 61 Cb 0.10 0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.75 2qri h GLU 61 CO -0.14 -0.23 0.27 -0.09 -1.18 0.00 0.00 179.01 177.64 2qri h ARG 62 N -0.36 0.53 -0.69 1.92 2.43 -0.90 -1.26 114.38 116.05 2qri h ARG 62 Ca 0.02 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.09 2qri h ARG 62 Cb 0.37 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.77 2qri h ARG 62 CO -0.08 0.35 0.19 0.93 -1.51 0.00 0.00 179.97 179.85 2qri h GLU 63 N 0.55 1.08 -0.51 0.20 4.39 -0.76 -1.89 114.58 117.64 2qri h GLU 63 Ca 0.16 -0.24 -0.01 0.00 0.34 0.00 0.00 59.36 59.61 2qri h GLU 63 Cb -0.04 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.44 2qri h GLU 63 CO -0.05 0.94 0.27 1.15 -1.16 0.00 0.00 179.01 180.17 2qri h THR 64 N 1.04 1.18 -0.33 1.13 2.02 -0.51 -0.34 112.91 117.10 2qri h THR 64 Ca 0.22 -0.46 -0.12 0.00 0.77 0.00 0.00 66.41 66.82 2qri h THR 64 Cb 0.33 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 2qri h THR 64 CO -0.00 0.19 -0.29 1.56 0.37 0.00 0.00 175.52 177.35 2qri h GLN 65 N 0.68 0.68 -0.18 6.66 1.08 -1.04 -1.50 115.11 121.49 2qri h GLN 65 Ca 0.18 -0.29 -0.09 0.00 -1.45 0.00 0.00 58.65 57.00 2qri h GLN 65 Cb 0.06 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.46 2qri h GLN 65 CO -0.03 0.89 -0.28 -0.22 -0.95 0.00 0.00 178.83 178.24 2qri h LYS 66 N 0.58 0.34 -0.22 1.46 3.64 -1.13 -1.30 116.57 119.93 2qri h LYS 66 Ca 0.07 -0.13 -0.04 0.00 -1.27 0.00 0.00 60.65 59.29 2qri h LYS 66 Cb 0.78 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.57 2qri h LYS 66 CO 0.06 0.60 0.00 0.00 -2.27 0.00 0.00 179.45 177.84 2qri h ALA 67 N 1.41 0.30 -0.16 5.00 0.00 -0.71 -0.55 119.26 124.55 2qri h ALA 67 Ca 0.04 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 2qri h ALA 67 Cb 0.66 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2qri h ALA 67 CO 0.05 0.02 -0.11 0.87 0.00 0.00 0.00 179.25 180.08 2qri h LYS 68 N 0.16 0.25 -0.25 0.00 1.57 -1.02 0.94 116.57 118.22 2qri h LYS 68 Ca 0.06 -0.06 -0.12 0.00 -1.87 0.00 0.00 60.65 58.66 2qri h LYS 68 Cb 0.40 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.67 2qri h LYS 68 CO 0.01 0.38 -0.32 0.78 -0.57 0.00 0.00 179.45 179.73 2qri h GLY 69 N 0.73 0.73 1.10 3.86 0.00 -0.99 -3.08 103.07 105.41 2qri h GLY 69 Ca 0.05 -0.78 -0.05 0.00 0.00 0.00 0.00 47.33 46.55 2qri h GLY 69 CO 0.02 0.71 0.28 3.43 0.00 0.00 0.00 176.54 180.98 2qri h ASN 70 N 0.38 1.06 -0.75 0.19 2.35 -0.51 -2.80 115.58 115.50 2qri h ASN 70 Ca 0.03 -0.17 0.10 0.00 -0.55 0.00 0.00 56.30 55.71 2qri h ASN 70 Cb 0.90 -0.27 -0.07 0.00 0.05 0.00 0.00 38.32 38.92 2qri h ASN 70 CO 0.08 0.95 0.39 -0.08 -1.65 0.00 0.00 177.43 177.11 2qri h GLU 71 N 1.11 0.62 -0.19 0.81 4.81 -0.80 -1.95 114.58 119.00 2qri h GLU 71 Ca 0.25 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 2qri h GLU 71 Cb 0.24 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 2qri h GLU 71 CO -0.02 0.41 0.12 0.37 -0.73 0.00 0.00 179.01 179.17 2qri h GLN 72 N 0.64 0.25 -0.68 1.92 5.75 -1.41 0.66 115.11 122.23 2qri h GLN 72 Ca 0.37 -0.02 0.05 0.00 -0.15 0.00 0.00 58.65 58.91 2qri h GLN 72 Cb 0.40 -0.06 -0.05 0.00 1.07 0.00 0.00 27.48 28.84 2qri h GLN 72 CO -0.28 0.18 0.39 0.77 -2.65 0.00 0.00 178.83 177.24 2qri h SER 73 N 0.25 0.60 0.48 -0.69 0.02 -1.32 -1.35 113.55 111.54 2qri h SER 73 Ca 0.07 0.02 -0.12 0.00 -0.84 0.00 0.00 61.79 60.92 2qri h SER 73 Cb -0.02 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.41 2qri h SER 73 CO -0.01 0.39 -0.55 -0.26 -1.14 0.00 0.00 176.83 175.26 2qri h PHE 74 N 0.73 0.10 -0.42 3.45 -1.00 -1.09 -0.38 116.94 118.33 2qri h PHE 74 Ca 0.30 -0.04 -0.01 0.00 2.81 0.00 0.00 57.97 61.03 2qri h PHE 74 Cb 0.15 -0.02 -0.02 0.00 3.61 0.00 0.00 35.95 39.67 2qri h PHE 74 CO -0.07 0.62 0.23 -0.09 -1.61 0.00 0.00 178.31 177.39 2qri h ARG 75 N 0.06 0.59 -0.22 1.51 2.43 -0.01 -0.05 114.38 118.70 2qri h ARG 75 Ca -0.00 -0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 59.06 2qri h ARG 75 Cb 1.00 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.42 2qri h ARG 75 CO 0.08 0.48 -0.01 0.28 -1.51 0.00 0.00 179.97 179.29 2qri h VAL 76 N 0.55 1.26 -0.82 0.20 2.07 -1.13 -2.99 116.25 115.38 2qri h VAL 76 Ca 0.15 -0.90 0.02 0.00 0.82 0.00 0.00 66.70 66.79 2qri h VAL 76 Cb 0.06 1.42 -0.04 0.00 -1.52 0.00 0.00 31.29 31.21 2qri h VAL 76 CO -0.02 0.28 0.54 0.44 0.02 0.00 0.00 177.57 178.83 2qri h ASP 77 N 0.15 0.91 -0.76 0.57 3.32 -0.85 -1.39 116.42 118.37 2qri h ASP 77 Ca 0.06 -0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.11 2qri h ASP 77 Cb 0.41 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.71 2qri h ASP 77 CO 0.01 0.64 0.50 -0.07 -1.72 0.00 0.00 179.24 178.60 2qri h LEU 78 N 1.06 0.84 -0.03 1.55 3.38 -0.91 0.00 115.31 121.20 2qri h LEU 78 Ca 0.32 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.27 2qri h LEU 78 Cb -0.03 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.51 2qri h LEU 78 CO -0.08 0.60 0.01 0.03 0.09 0.00 0.00 178.44 179.09 2qri h ARG 79 N 0.99 0.05 -0.35 1.13 3.08 -1.20 -2.74 114.38 115.34 2qri h ARG 79 Ca 0.29 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.35 2qri h ARG 79 Cb -0.06 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 2qri h ARG 79 CO -0.08 0.18 0.20 1.15 -1.07 0.00 0.00 179.97 180.35 2qri h THR 80 N -0.10 1.03 0.00 2.04 2.02 -1.04 -2.52 112.91 114.33 2qri h THR 80 Ca 0.01 -0.14 -0.01 0.00 0.77 0.00 0.00 66.41 67.04 2qri h THR 80 Cb 0.15 0.59 -0.00 0.00 -1.74 0.00 0.00 68.15 67.15 2qri h THR 80 CO -0.00 0.07 -0.06 -0.07 0.37 0.00 0.00 175.52 175.83 2qri h LEU 81 N 0.40 0.00 -1.45 2.58 4.07 -0.98 0.18 115.31 120.11 2qri h LEU 81 Ca 0.14 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.10 2qri h LEU 81 Cb 0.01 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.73 2qri h LEU 81 CO -0.07 0.06 0.36 -0.07 -1.08 0.00 0.00 178.44 177.64 2qri h LEU 82 N 0.00 0.64 -0.02 1.67 3.38 -1.13 -0.54 115.31 119.31 2qri h LEU 82 Ca -0.00 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2qri h LEU 82 Cb 0.11 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 2qri h LEU 82 CO 0.01 0.47 -0.02 1.23 0.09 0.00 0.00 178.44 180.21 2qri h GLY 83 N 0.76 0.05 1.26 0.83 0.00 -0.98 -0.53 103.07 104.46 2qri h GLY 83 Ca 0.20 -0.05 0.10 0.00 0.00 0.00 0.00 47.33 47.58 2qri h GLY 83 CO -0.04 0.05 0.28 -0.97 0.00 0.00 0.00 176.54 175.85 2qri h TYR 84 N -0.47 0.11 -0.24 5.60 0.05 -0.89 -2.11 116.97 119.02 2qri h TYR 84 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2qri h TYR 84 Cb 0.56 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.26 2qri h TYR 84 CO 0.11 0.05 0.00 0.66 -1.05 0.00 0.00 178.16 177.93 2qri n TYR 85 N -4.44 0.30 -3.72 4.88 4.02 -0.25 -3.86 117.16 114.08 2qri n TYR 85 Ca 0.06 -0.21 -0.24 0.00 -0.01 0.00 0.00 57.90 57.50 2qri n TYR 85 Cb 0.41 -0.01 0.03 0.00 -0.02 0.00 0.00 39.34 39.74 2qri n TYR 85 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2qri n ASN 86 N 1.01 -2.04 -4.73 7.72 5.15 -0.45 -3.54 115.26 118.38 2qri n ASN 86 Ca 0.13 -0.89 -0.28 0.00 -0.60 0.00 0.00 54.58 52.95 2qri n ASN 86 Cb 0.47 -3.80 -0.07 0.00 -0.53 0.00 0.00 39.78 35.85 2qri n ASN 86 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 2qri s GLN 87 N -6.00 2.66 0.65 1.20 -0.21 -0.34 -4.97 119.66 112.66 2qri s GLN 87 Ca 0.11 -0.92 -0.14 0.00 0.02 0.00 0.00 55.36 54.43 2qri s GLN 87 Cb -0.03 -2.54 -0.01 0.00 1.00 0.00 0.00 33.01 31.43 2qri s GLN 87 CO 0.83 0.49 1.08 -1.54 -2.12 0.00 0.00 175.29 174.04 2qri s SER 88 N -2.81 5.32 0.00 5.90 1.04 -1.26 -4.77 113.70 117.12 2qri s SER 88 Ca 0.29 1.87 0.25 0.00 0.48 0.00 0.00 55.95 58.84 2qri s SER 88 Cb -0.10 -2.54 1.36 0.00 0.10 0.00 0.00 66.02 64.84 2qri s SER 88 CO 0.21 -1.48 1.86 0.29 0.98 0.00 0.00 173.24 175.09 2qri n LYS 89 N -2.47 0.52 0.02 4.02 5.02 -1.26 -3.20 118.16 120.81 2qri n LYS 89 Ca 0.09 0.03 0.12 0.00 -2.02 0.00 0.00 58.31 56.53 2qri n LYS 89 Cb 0.53 -1.50 0.16 0.00 -0.02 0.00 0.00 35.03 34.20 2qri n LYS 89 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qri n GLY 90 N 0.75 -1.27 3.92 0.72 0.00 -1.26 -4.80 105.19 103.25 2qri n GLY 90 Ca 0.14 -0.35 -0.27 0.00 0.00 0.00 0.00 46.02 45.55 2qri n GLY 90 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qri s GLY 91 N -3.31 1.67 0.05 -0.02 0.00 -1.19 -4.66 107.32 99.85 2qri s GLY 91 Ca 0.08 -0.72 -0.16 0.00 0.00 0.00 0.00 44.72 43.91 2qri s GLY 91 CO 0.74 -0.64 0.49 -0.45 0.00 0.00 0.00 173.10 173.23 2qri s SER 92 N -3.47 6.90 0.05 1.64 0.15 -1.26 -4.61 113.70 113.10 2qri s SER 92 Ca 0.42 1.09 -0.00 0.00 0.70 0.00 0.00 55.95 58.15 2qri s SER 92 Cb -0.10 -2.29 -0.04 0.00 -1.71 0.00 0.00 66.02 61.88 2qri s SER 92 CO 0.32 0.27 -0.04 -1.00 1.20 0.00 0.00 173.24 173.99 2qri s HIS 93 N -1.15 0.55 -0.04 3.44 3.76 -1.25 -4.94 115.29 115.66 2qri s HIS 93 Ca 0.28 -0.93 0.05 0.00 -0.15 0.00 0.00 55.06 54.31 2qri s HIS 93 Cb -0.17 -0.38 -0.01 0.00 1.11 0.00 0.00 32.58 33.13 2qri s HIS 93 CO 0.17 -0.30 -0.20 0.99 -0.85 0.00 0.00 174.74 174.55 2qri s THR 94 N -3.36 1.60 -0.10 1.30 2.01 -1.26 -0.97 115.64 114.87 2qri s THR 94 Ca 0.03 -0.82 0.03 0.00 0.31 0.00 0.00 61.69 61.24 2qri s THR 94 Cb 0.04 -1.36 -0.01 0.00 0.01 0.00 0.00 72.50 71.18 2qri s THR 94 CO -0.07 0.46 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.47 2qri s ILE 95 N -0.10 2.31 0.15 1.82 1.01 -0.11 0.39 121.20 126.67 2qri s ILE 95 Ca -0.02 -0.94 0.07 0.00 0.00 0.00 0.00 60.65 59.76 2qri s ILE 95 Cb -0.11 -1.90 -0.04 0.00 0.01 0.00 0.00 42.46 40.42 2qri s ILE 95 CO 0.02 0.55 -0.16 -1.10 0.00 0.00 0.00 174.94 174.26 2qri s GLN 96 N 0.24 1.15 -0.04 2.79 -0.21 -0.32 -0.96 119.66 122.31 2qri s GLN 96 Ca -0.14 -1.34 -0.05 0.00 0.02 0.00 0.00 55.36 53.85 2qri s GLN 96 Cb -0.17 -1.08 0.01 0.00 1.00 0.00 0.00 33.01 32.77 2qri s GLN 96 CO 0.07 0.21 0.12 0.08 -2.12 0.00 0.00 175.29 173.66 2qri s VAL 97 N -2.21 0.02 -0.17 1.09 1.01 -0.56 -1.38 120.40 118.20 2qri s VAL 97 Ca 0.13 -0.18 0.01 0.00 0.00 0.00 0.00 61.98 61.93 2qri s VAL 97 Cb -0.05 -0.24 0.03 0.00 0.00 0.00 0.00 36.38 36.12 2qri s VAL 97 CO 0.05 -0.10 -0.12 -0.63 0.00 0.00 0.00 175.10 174.29 2qri s ILE 98 N -0.29 1.60 -0.05 2.22 1.01 0.14 -0.85 121.20 124.97 2qri s ILE 98 Ca -0.04 -0.80 0.01 0.00 0.00 0.00 0.00 60.65 59.82 2qri s ILE 98 Cb -0.03 -1.58 0.02 0.00 0.01 0.00 0.00 42.46 40.88 2qri s ILE 98 CO 0.00 0.33 -0.05 -0.55 0.00 0.00 0.00 174.94 174.67 2qri s SER 99 N 1.45 1.19 0.00 3.58 0.15 -0.82 -0.42 113.70 118.82 2qri s SER 99 Ca 0.02 -0.15 0.00 0.00 0.70 0.00 0.00 55.95 56.52 2qri s SER 99 Cb -0.14 -0.51 0.00 0.00 -1.71 0.00 0.00 66.02 63.66 2qri s SER 99 CO -0.10 -0.07 0.00 0.61 1.20 0.00 0.00 173.24 174.89 2qri n GLY 100 N 4.21 -1.99 3.10 9.45 0.00 0.12 -0.25 105.19 119.83 2qri n GLY 100 Ca -0.22 -1.17 -0.19 0.00 0.00 0.00 0.00 46.02 44.45 2qri n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qri s GLU 102 N -0.87 3.52 -0.04 0.00 2.12 0.09 -0.57 118.70 122.96 2qri s GLU 102 Ca 0.01 -0.59 0.06 0.00 0.36 0.00 0.00 54.97 54.81 2qri s GLU 102 Cb -0.07 -2.86 -0.01 0.00 0.26 0.00 0.00 34.13 31.46 2qri s GLU 102 CO 0.01 0.13 -0.22 0.08 -0.54 0.00 0.00 175.26 174.72 2qri s VAL 103 N 0.62 1.76 1.08 3.70 1.01 0.75 -0.07 120.40 129.26 2qri s VAL 103 Ca -0.04 -0.92 -0.16 0.00 0.00 0.00 0.00 61.98 60.86 2qri s VAL 103 Cb -0.15 -1.49 0.23 0.00 0.00 0.00 0.00 36.38 34.98 2qri s VAL 103 CO 0.03 0.50 1.13 -0.83 0.00 0.00 0.00 175.10 175.92 2qri s GLY 104 N -0.24 1.59 0.56 4.51 0.00 -0.98 -0.45 107.32 112.31 2qri s GLY 104 Ca 0.01 -0.74 0.26 0.00 0.00 0.00 0.00 44.72 44.25 2qri s GLY 104 CO 0.02 0.01 2.19 1.48 0.00 0.00 0.00 173.10 176.79 2qri h SER 105 N -2.16 0.00 0.66 1.64 4.64 -1.92 0.11 113.55 116.51 2qri h SER 105 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 2qri h SER 105 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 2qri h SER 105 CO 0.46 0.04 -0.17 -0.90 -0.87 0.00 0.00 176.83 175.38 2qri n ASP 106 N -3.92 0.28 0.00 4.97 5.68 -1.26 -4.96 116.55 117.34 2qri n ASP 106 Ca -0.03 -0.05 0.00 0.00 -0.50 0.00 0.00 54.79 54.21 2qri n ASP 106 Cb 0.13 -0.15 0.00 0.00 -1.14 0.00 0.00 41.12 39.95 2qri n ASP 106 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2qri n GLY 107 N 1.43 0.60 3.77 6.12 0.00 0.02 -5.09 105.19 112.04 2qri n GLY 107 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 2qri n GLY 107 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qri s ARG 108 N -0.82 2.84 -0.10 1.61 0.52 -1.26 -4.77 118.95 116.97 2qri s ARG 108 Ca 0.00 -0.77 -0.39 0.00 -0.52 0.00 0.00 55.73 54.05 2qri s ARG 108 Cb 0.00 -2.68 -0.16 0.00 0.52 0.00 0.00 34.95 32.63 2qri s ARG 108 CO 0.00 0.54 1.53 -0.11 0.02 0.00 0.00 175.30 177.28 2qri n LEU 109 N 0.21 1.94 -0.12 2.53 7.94 -1.26 -2.31 117.00 125.92 2qri n LEU 109 Ca -0.09 1.10 -0.19 0.00 -1.11 0.00 0.00 56.01 55.73 2qri n LEU 109 Cb 0.53 -1.15 -0.11 0.00 0.53 0.00 0.00 43.42 43.22 2qri n LEU 109 CO 0.43 -0.78 -1.30 0.18 -1.11 0.00 0.00 177.39 174.81 2qri n LEU 110 N 3.89 2.78 -3.65 -1.96 4.77 0.91 -4.89 117.00 118.83 2qri n LEU 110 Ca 0.23 -0.05 -0.14 0.00 -0.03 0.00 0.00 56.01 56.02 2qri n LEU 110 Cb 0.15 -0.83 -0.08 0.00 -2.33 0.00 0.00 43.42 40.34 2qri n LEU 110 CO 0.72 0.84 0.33 -0.60 -1.33 0.00 0.00 177.39 177.35 2qri s ARG 111 N -2.48 0.76 0.06 3.23 3.52 -1.10 -5.00 118.95 117.94 2qri s ARG 111 Ca -0.33 0.85 0.05 0.00 -0.13 0.00 0.00 55.73 56.17 2qri s ARG 111 Cb 0.09 0.37 -0.04 0.00 -1.56 0.00 0.00 34.95 33.81 2qri s ARG 111 CO 0.54 -0.10 -0.05 0.20 -0.81 0.00 0.00 175.30 175.08 2qri s GLY 112 N 0.26 1.83 -0.02 8.12 0.00 -1.26 -0.73 107.32 115.52 2qri s GLY 112 Ca -0.01 -1.12 0.03 0.00 0.00 0.00 0.00 44.72 43.63 2qri s GLY 112 CO 0.01 -1.05 -0.10 -0.19 0.00 0.00 0.00 173.10 171.77 2qri s TYR 113 N -1.18 1.02 -0.42 1.90 2.02 0.23 -4.89 117.35 116.03 2qri s TYR 113 Ca 0.22 -0.24 0.06 0.00 -0.37 0.00 0.00 57.07 56.73 2qri s TYR 113 Cb -0.11 -0.71 0.17 0.00 -0.40 0.00 0.00 41.96 40.91 2qri s TYR 113 CO 0.13 -0.09 0.55 -1.14 -1.57 0.00 0.00 175.55 173.44 2qri s GLN 114 N 0.08 0.83 -0.03 -0.62 2.00 -1.22 -0.70 119.66 119.99 2qri s GLN 114 Ca -0.01 -0.75 0.05 0.00 -2.00 0.00 0.00 55.36 52.64 2qri s GLN 114 Cb -0.08 -0.30 -0.01 0.00 0.80 0.00 0.00 33.01 33.42 2qri s GLN 114 CO 0.00 -1.24 -0.19 1.14 -0.50 0.00 0.00 175.29 174.51 2qri s GLN 115 N 1.38 1.72 0.21 1.67 -2.07 0.44 -1.38 119.66 121.62 2qri s GLN 115 Ca 0.20 -0.67 0.11 0.00 -1.82 0.00 0.00 55.36 53.19 2qri s GLN 115 Cb -0.06 -1.57 -0.04 0.00 -1.09 0.00 0.00 33.01 30.25 2qri s GLN 115 CO -0.06 0.34 -0.20 0.71 -1.32 0.00 0.00 175.29 174.76 2qri s TYR 116 N -0.22 2.38 0.01 9.60 1.51 0.97 -0.69 117.35 130.90 2qri s TYR 116 Ca 0.02 -0.32 -0.02 0.00 -1.01 0.00 0.00 57.07 55.74 2qri s TYR 116 Cb -0.10 -1.14 -0.01 0.00 -0.11 0.00 0.00 41.96 40.61 2qri s TYR 116 CO 0.01 0.55 0.02 0.00 -1.11 0.00 0.00 175.55 175.02 2qri s ALA 117 N -1.88 -0.02 -0.11 3.71 0.00 -0.48 -0.43 121.76 122.56 2qri s ALA 117 Ca 0.24 -0.36 0.03 0.00 0.00 0.00 0.00 51.96 51.87 2qri s ALA 117 Cb -0.07 0.10 0.01 0.00 0.00 0.00 0.00 23.12 23.15 2qri s ALA 117 CO 0.12 -0.15 -0.20 -0.47 0.00 0.00 0.00 175.76 175.06 2qri s TYR 118 N -1.17 2.37 -1.60 0.00 5.04 -0.42 -1.17 117.35 120.40 2qri s TYR 118 Ca -0.13 -1.08 -0.11 0.00 -2.44 0.00 0.00 57.07 53.30 2qri s TYR 118 Cb -0.08 -1.63 0.10 0.00 0.35 0.00 0.00 41.96 40.70 2qri s TYR 118 CO -0.00 -0.49 0.63 -0.25 -1.34 0.00 0.00 175.55 174.10 2qri n ASP 119 N 3.89 -2.13 -0.00 4.32 8.00 0.16 -1.72 116.55 129.07 2qri n ASP 119 Ca -0.20 -1.02 -0.00 0.00 0.71 0.00 0.00 54.79 54.28 2qri n ASP 119 Cb 0.52 -2.80 -0.00 0.00 -0.02 0.00 0.00 41.12 38.81 2qri n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2qri n GLY 120 N -1.66 0.41 3.26 0.44 0.00 -1.26 -4.63 105.19 101.75 2qri n GLY 120 Ca -0.07 -0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 2qri n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qri n ASP 122 N 2.56 1.36 0.02 0.00 8.00 -1.26 -1.30 116.55 125.93 2qri n ASP 122 Ca -0.16 1.16 -0.02 0.00 0.71 0.00 0.00 54.79 56.48 2qri n ASP 122 Cb 0.52 -1.26 -0.01 0.00 -0.02 0.00 0.00 41.12 40.35 2qri n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qri n TYR 123 N 0.89 0.00 -3.68 1.24 9.36 0.43 -4.51 117.16 120.89 2qri n TYR 123 Ca 0.12 0.00 -0.14 0.00 3.32 0.00 0.00 57.90 61.20 2qri n TYR 123 Cb 0.29 -0.11 -0.08 0.00 -0.63 0.00 0.00 39.34 38.80 2qri n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 2qri s ILE 124 N -2.14 0.02 -0.01 2.97 2.07 -1.14 -0.90 121.20 122.08 2qri s ILE 124 Ca -0.06 -0.19 -0.08 0.00 -1.41 0.00 0.00 60.65 58.91 2qri s ILE 124 Cb 0.01 -0.73 0.00 0.00 0.13 0.00 0.00 42.46 41.87 2qri s ILE 124 CO 0.10 -0.10 0.15 0.00 -1.91 0.00 0.00 174.94 173.17 2qri s ALA 125 N -0.73 -0.37 -0.07 1.50 0.00 -0.87 -0.02 121.76 121.20 2qri s ALA 125 Ca -0.08 -0.03 -0.27 0.00 0.00 0.00 0.00 51.96 51.58 2qri s ALA 125 Cb -0.03 0.06 -0.03 0.00 0.00 0.00 0.00 23.12 23.12 2qri s ALA 125 CO 0.04 -0.20 0.85 -1.17 0.00 0.00 0.00 175.76 175.28 2qri s LEU 126 N -1.22 4.29 0.91 0.00 2.96 -0.48 -1.52 118.68 123.62 2qri s LEU 126 Ca -0.13 1.36 -0.12 0.00 -0.22 0.00 0.00 54.13 55.03 2qri s LEU 126 Cb -0.07 -3.32 0.13 0.00 0.50 0.00 0.00 46.19 43.44 2qri s LEU 126 CO 0.02 -0.26 1.09 0.20 -1.32 0.00 0.00 176.35 176.08 2qri s ASN 127 N 0.98 3.41 0.55 3.68 0.01 -0.58 -4.66 114.94 118.33 2qri s ASN 127 Ca 0.43 1.44 0.26 0.00 -0.71 0.00 0.00 52.86 54.28 2qri s ASN 127 Cb -0.18 -2.12 1.47 0.00 0.41 0.00 0.00 41.25 40.82 2qri s ASN 127 CO 0.20 -2.67 2.03 -0.33 -1.51 0.00 0.00 177.10 174.81 2qri h GLU 128 N -1.57 0.00 0.00 -0.60 5.08 -1.90 -1.03 114.58 114.56 2qri h GLU 128 Ca -0.50 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 2qri h GLU 128 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 2qri h GLU 128 CO 0.55 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 178.16 2qri n ASP 129 N -4.16 0.24 -2.35 1.42 5.68 -1.26 -4.86 116.55 111.26 2qri n ASP 129 Ca 0.06 0.56 -0.19 0.00 -0.50 0.00 0.00 54.79 54.72 2qri n ASP 129 Cb 0.49 -0.61 -0.01 0.00 -1.14 0.00 0.00 41.12 39.85 2qri n ASP 129 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2qri n LEU 130 N -1.76 -1.77 0.00 -2.12 4.77 -0.39 -4.78 117.00 110.95 2qri n LEU 130 Ca 0.03 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 2qri n LEU 130 Cb 0.20 -2.79 0.00 0.00 -2.33 0.00 0.00 43.42 38.50 2qri n LEU 130 CO 0.16 -0.25 -0.16 0.29 -1.33 0.00 0.00 177.39 176.10 2qri n LYS 131 N -2.93 1.20 -4.50 3.23 5.02 -1.26 -4.61 118.16 114.32 2qri n LYS 131 Ca -0.23 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 55.80 2qri n LYS 131 Cb 0.67 -0.66 -0.10 0.00 -0.02 0.00 0.00 35.03 34.92 2qri n LYS 131 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2qri s THR 132 N -1.32 2.30 0.14 -0.18 -4.23 -1.26 -4.84 115.64 106.25 2qri s THR 132 Ca 0.00 -2.12 0.10 0.00 -1.18 0.00 0.00 61.69 58.50 2qri s THR 132 Cb 0.00 -2.73 -0.04 0.00 1.34 0.00 0.00 72.50 71.07 2qri s THR 132 CO 0.00 -0.17 -0.24 0.26 -0.54 0.00 0.00 174.62 173.92 2qri s TRP 133 N -2.60 2.16 -0.26 3.99 0.52 -1.26 -1.53 118.94 119.95 2qri s TRP 133 Ca 0.33 -0.39 -0.02 0.00 0.02 0.00 0.00 56.10 56.05 2qri s TRP 133 Cb 0.03 -1.14 0.03 0.00 -1.15 0.00 0.00 33.47 31.24 2qri s TRP 133 CO 0.17 0.35 -0.05 0.99 0.02 0.00 0.00 176.95 178.43 2qri s THR 134 N -1.31 2.92 -0.08 2.01 2.01 -0.58 -4.93 115.64 115.70 2qri s THR 134 Ca 0.14 -1.06 -0.13 0.00 0.31 0.00 0.00 61.69 60.95 2qri s THR 134 Cb -0.09 -2.51 -0.05 0.00 0.01 0.00 0.00 72.50 69.86 2qri s THR 134 CO 0.07 0.16 0.32 0.00 -0.69 0.00 0.00 174.62 174.47 2qri s ALA 135 N 1.32 3.69 -0.26 7.40 0.00 -1.26 -2.06 121.76 130.60 2qri s ALA 135 Ca -0.00 -0.37 0.22 0.00 0.00 0.00 0.00 51.96 51.81 2qri s ALA 135 Cb -0.17 -2.31 0.04 0.00 0.00 0.00 0.00 23.12 20.68 2qri s ALA 135 CO -0.04 0.37 1.12 0.00 0.00 0.00 0.00 175.76 177.22 2qri h ALA 136 N 5.43 0.57 -3.31 0.00 0.00 -1.28 -3.48 119.26 117.19 2qri h ALA 136 Ca -0.49 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.26 2qri h ALA 136 Cb 1.20 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 2qri h ALA 136 CO 0.65 0.02 0.01 -0.40 0.00 0.00 0.00 179.25 179.54 2qri n ASP 137 N -2.75 -1.27 -0.08 0.00 5.68 -1.26 -4.70 116.55 112.18 2qri n ASP 137 Ca 0.00 -2.32 -0.04 0.00 -0.50 0.00 0.00 54.79 51.94 2qri n ASP 137 Cb 0.55 2.24 0.18 0.00 -1.14 0.00 0.00 41.12 42.96 2qri n ASP 137 CO 0.00 0.00 0.00 0.24 -1.33 0.00 0.00 177.20 176.11 2qri h MET 138 N 0.00 0.71 -0.39 0.11 2.86 -1.88 -2.57 114.93 113.77 2qri h MET 138 Ca -0.22 -0.19 -0.01 0.00 -2.06 0.00 0.00 59.70 57.22 2qri h MET 138 Cb 0.89 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.45 2qri h MET 138 CO 0.29 0.75 0.22 0.00 1.06 0.00 0.00 176.91 179.23 2qri h ALA 139 N 1.30 0.50 0.00 6.32 0.00 -1.85 -2.44 119.26 123.09 2qri h ALA 139 Ca 0.13 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2qri h ALA 139 Cb 0.46 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 2qri h ALA 139 CO 0.02 0.01 -0.05 0.00 0.00 0.00 0.00 179.25 179.24 2qri h ALA 140 N 1.08 1.23 -0.20 0.00 0.00 -1.77 -1.73 119.26 117.86 2qri h ALA 140 Ca 0.14 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 2qri h ALA 140 Cb 0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2qri h ALA 140 CO -0.02 0.06 -0.35 -0.07 0.00 0.00 0.00 179.25 178.86 2qri h LEU 141 N 0.00 0.44 -0.57 0.00 3.38 -1.05 0.42 115.31 117.92 2qri h LEU 141 Ca -0.00 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.74 2qri h LEU 141 Cb 0.19 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 2qri h LEU 141 CO 0.01 0.76 0.13 0.40 0.09 0.00 0.00 178.44 179.83 2qri h ILE 142 N 0.36 1.25 -0.44 1.22 2.04 -1.30 -1.69 117.51 118.96 2qri h ILE 142 Ca 0.04 -0.92 -0.06 0.00 1.00 0.00 0.00 64.86 64.92 2qri h ILE 142 Cb 0.79 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 2qri h ILE 142 CO 0.06 0.34 0.03 0.74 0.00 0.00 0.00 178.15 179.33 2qri h THR 143 N 0.83 1.25 -0.39 -0.27 2.02 -1.46 -2.24 112.91 112.65 2qri h THR 143 Ca 0.18 -0.97 0.06 0.00 0.77 0.00 0.00 66.41 66.45 2qri h THR 143 Cb 0.37 1.02 -0.05 0.00 -1.74 0.00 0.00 68.15 67.75 2qri h THR 143 CO 0.00 0.34 0.08 0.50 0.37 0.00 0.00 175.52 176.81 2qri h LYS 144 N 0.60 0.21 -0.20 6.66 3.64 -0.67 0.14 116.57 126.95 2qri h LYS 144 Ca 0.13 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.39 2qri h LYS 144 Cb 0.44 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 2qri h LYS 144 CO 0.02 0.14 -0.34 0.45 -2.27 0.00 0.00 179.45 177.44 2qri h HIS 145 N 0.21 0.48 -0.11 1.91 3.86 -1.26 0.39 115.15 120.63 2qri h HIS 145 Ca 0.19 -0.12 -0.02 0.00 -1.16 0.00 0.00 60.37 59.26 2qri h HIS 145 Cb 0.22 -0.11 -0.00 0.00 1.06 0.00 0.00 27.41 28.57 2qri h HIS 145 CO -0.19 0.71 0.01 -0.22 0.86 0.00 0.00 177.93 179.10 2qri h LYS 146 N 0.36 0.19 -0.22 2.45 3.64 -0.75 -2.09 116.57 120.14 2qri h LYS 146 Ca 0.04 -0.06 -0.07 0.00 -1.27 0.00 0.00 60.65 59.30 2qri h LYS 146 Cb 0.77 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.56 2qri h LYS 146 CO 0.06 0.42 -0.16 -1.49 -2.27 0.00 0.00 179.45 176.01 2qri h TRP 147 N -0.07 0.40 -0.16 1.91 6.55 -0.54 -1.97 115.95 122.07 2qri h TRP 147 Ca 0.03 -0.06 -0.04 0.00 0.95 0.00 0.00 58.89 59.77 2qri h TRP 147 Cb 0.33 -0.11 -0.00 0.00 -0.86 0.00 0.00 29.16 28.51 2qri h TRP 147 CO 0.03 0.53 -0.07 0.93 -1.05 0.00 0.00 178.44 178.81 2qri h GLU 148 N 0.35 0.33 0.00 0.49 5.08 -0.87 0.06 114.58 120.02 2qri h GLU 148 Ca 0.06 -0.14 -0.04 0.00 -1.00 0.00 0.00 59.36 58.24 2qri h GLU 148 Cb 0.49 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 2qri h GLU 148 CO 0.03 0.63 -0.21 1.96 -1.00 0.00 0.00 179.01 180.42 2qri h GLN 149 N 0.01 0.00 -0.02 2.33 1.08 -1.22 -2.87 115.11 114.43 2qri h GLN 149 Ca 0.04 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 2qri h GLN 149 Cb 0.53 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.96 2qri h GLN 149 CO 0.02 0.21 -0.24 0.00 -0.95 0.00 0.00 178.83 177.87 2qri n ALA 150 N -2.49 3.05 -2.60 3.87 0.00 -0.76 -4.97 120.51 116.61 2qri n ALA 150 Ca -0.02 -0.54 -0.11 0.00 0.00 0.00 0.00 53.44 52.76 2qri n ALA 150 Cb 0.27 -0.97 0.02 0.00 0.00 0.00 0.00 19.45 18.77 2qri n ALA 150 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qri n GLY 151 N 1.34 0.06 0.32 0.00 0.00 -0.52 -4.93 105.19 101.46 2qri n GLY 151 Ca 0.13 -0.34 0.01 0.00 0.00 0.00 0.00 46.02 45.82 2qri n GLY 151 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2qri h GLU 152 N -0.64 0.77 -0.70 1.61 4.57 -1.31 -2.37 114.58 116.50 2qri h GLU 152 Ca -0.27 -0.08 0.01 0.00 -1.18 0.00 0.00 59.36 57.84 2qri h GLU 152 Cb 1.18 -0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 29.59 2qri h GLU 152 CO 0.29 0.57 0.46 0.00 -1.18 0.00 0.00 179.01 179.15 2qri h ALA 153 N 1.55 0.89 -0.10 2.92 0.00 -1.89 -0.30 119.26 122.33 2qri h ALA 153 Ca 0.20 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.09 2qri h ALA 153 Cb 0.04 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 2qri h ALA 153 CO -0.03 0.31 -0.08 1.49 0.00 0.00 0.00 179.25 180.94 2qri h GLU 154 N 0.95 -0.08 -0.62 0.00 4.81 -1.69 -0.03 114.58 117.91 2qri h GLU 154 Ca 0.26 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.52 2qri h GLU 154 Cb -0.11 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.25 2qri h GLU 154 CO -0.06 -0.06 0.38 -0.09 -0.73 0.00 0.00 179.01 178.45 2qri h ARG 155 N -0.09 0.71 -0.47 1.92 2.43 -1.02 -1.96 114.38 115.90 2qri h ARG 155 Ca 0.07 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.11 2qri h ARG 155 Cb 0.18 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 2qri h ARG 155 CO -0.15 0.47 -0.04 -0.07 -1.51 0.00 0.00 179.97 178.67 2qri h LEU 156 N 0.73 0.78 -0.23 3.80 3.38 -0.64 -2.29 115.31 120.84 2qri h LEU 156 Ca 0.25 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 2qri h LEU 156 Cb 0.04 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 2qri h LEU 156 CO -0.11 0.88 0.13 -0.09 0.09 0.00 0.00 178.44 179.33 2qri h ARG 157 N 0.74 0.33 -0.26 1.13 2.43 -0.44 0.33 114.38 118.64 2qri h ARG 157 Ca 0.14 -0.04 0.05 0.00 -0.81 0.00 0.00 59.98 59.31 2qri h ARG 157 Cb 0.51 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.96 2qri h ARG 157 CO 0.03 0.30 -0.02 0.00 -1.51 0.00 0.00 179.97 178.77 2qri h ALA 158 N 1.01 0.22 -0.32 2.80 0.00 -1.24 0.38 119.26 122.11 2qri h ALA 158 Ca 0.08 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2qri h ALA 158 Cb 0.07 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2qri h ALA 158 CO -0.01 -0.43 0.21 -0.92 0.00 0.00 0.00 179.25 178.10 2qri h TYR 159 N 0.06 0.41 -0.38 0.00 3.20 -0.99 -1.49 116.97 117.77 2qri h TYR 159 Ca 0.12 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.92 2qri h TYR 159 Cb 0.17 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 2qri h TYR 159 CO -0.22 0.27 -0.06 -0.07 -1.64 0.00 0.00 178.16 176.44 2qri h LEU 160 N 0.43 0.72 -0.47 2.82 3.38 0.02 0.47 115.31 122.67 2qri h LEU 160 Ca 0.12 -0.35 -0.17 0.00 0.09 0.00 0.00 57.88 57.57 2qri h LEU 160 Cb -0.03 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 2qri h LEU 160 CO -0.02 0.89 -0.76 -0.33 0.09 0.00 0.00 178.44 178.31 2qri h GLU 161 N 0.53 0.11 0.00 1.13 5.08 -0.91 -3.33 114.58 117.19 2qri h GLU 161 Ca 0.10 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2qri h GLU 161 Cb 0.57 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.84 2qri h GLU 161 CO 0.03 0.82 0.00 0.41 -1.00 0.00 0.00 179.01 179.27 2qri n GLY 162 N 0.62 -0.01 0.39 -3.84 0.00 -0.57 -4.62 105.19 97.17 2qri n GLY 162 Ca -0.02 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.94 2qri n GLY 162 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2qri h THR 163 N 0.00 0.03 -0.28 2.61 2.02 -1.60 -0.04 112.91 115.65 2qri h THR 163 Ca 0.00 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.22 2qri h THR 163 Cb 0.00 0.03 -0.04 0.00 -1.74 0.00 0.00 68.15 66.40 2qri h THR 163 CO 0.00 0.00 0.04 0.00 0.37 0.00 0.00 175.52 175.93 2qri h VAL 165 N 0.14 1.23 -0.97 0.00 2.07 -1.47 -1.33 116.25 115.93 2qri h VAL 165 Ca 0.13 -0.78 0.02 0.00 0.82 0.00 0.00 66.70 66.89 2qri h VAL 165 Cb 0.14 0.80 -0.05 0.00 -1.52 0.00 0.00 31.29 30.66 2qri h VAL 165 CO -0.18 0.28 0.64 -0.33 0.02 0.00 0.00 177.57 178.00 2qri h GLU 166 N 0.67 1.23 -0.17 1.57 5.08 -0.70 -1.75 114.58 120.51 2qri h GLU 166 Ca 0.16 -0.07 -0.17 0.00 -1.00 0.00 0.00 59.36 58.27 2qri h GLU 166 Cb 0.28 -0.28 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 2qri h GLU 166 CO -0.00 0.82 -0.60 -1.49 -1.00 0.00 0.00 179.01 176.73 2qri h TRP 167 N 1.27 0.74 -0.39 4.33 4.06 -0.98 -2.74 115.95 122.25 2qri h TRP 167 Ca 0.37 -0.28 0.04 0.00 2.06 0.00 0.00 58.89 61.08 2qri h TRP 167 Cb -0.08 -0.13 -0.04 0.00 -1.00 0.00 0.00 29.16 27.91 2qri h TRP 167 CO -0.00 1.03 0.16 1.25 -3.56 0.00 0.00 178.44 177.32 2qri h LEU 168 N 0.43 0.20 0.37 -4.49 5.85 -0.44 -0.05 115.31 117.18 2qri h LEU 168 Ca -0.00 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 2qri h LEU 168 Cb 1.16 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.17 2qri h LEU 168 CO 0.11 0.15 -0.39 0.03 -0.34 0.00 0.00 178.44 178.01 2qri h ARG 169 N 0.34 -0.75 -0.98 1.25 3.08 -1.33 0.84 114.38 116.81 2qri h ARG 169 Ca 0.17 0.05 0.21 0.00 0.07 0.00 0.00 59.98 60.49 2qri h ARG 169 Cb 0.13 0.17 -0.12 0.00 0.08 0.00 0.00 29.97 30.23 2qri h ARG 169 CO -0.16 -0.50 0.57 -0.09 -1.07 0.00 0.00 179.97 178.72 2qri h ARG 170 N -0.78 0.62 -0.21 0.04 2.43 -1.14 -0.08 114.38 115.26 2qri h ARG 170 Ca -0.03 -0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 59.00 2qri h ARG 170 Cb 0.71 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 30.11 2qri h ARG 170 CO -0.07 0.41 -0.29 1.88 -1.51 0.00 0.00 179.97 180.38 2qri h TYR 171 N 0.64 0.70 -0.96 2.20 0.05 -0.39 -3.07 116.97 116.14 2qri h TYR 171 Ca 0.60 -0.23 0.09 0.00 0.05 0.00 0.00 58.73 59.23 2qri h TYR 171 Cb 1.04 -0.14 -0.07 0.00 1.01 0.00 0.00 36.73 38.57 2qri h TYR 171 CO -0.03 0.95 0.62 -0.07 -1.05 0.00 0.00 178.16 178.58 2qri h LEU 172 N 0.25 0.93 -0.70 3.88 3.38 0.69 0.08 115.31 123.81 2qri h LEU 172 Ca 0.02 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.03 2qri h LEU 172 Cb 0.87 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.41 2qri h LEU 172 CO 0.07 0.56 0.45 0.11 0.09 0.00 0.00 178.44 179.72 2qri h LYS 173 N 1.04 0.87 0.00 1.13 1.79 -0.99 1.32 116.57 121.73 2qri h LYS 173 Ca 0.43 -0.05 -0.11 0.00 -2.18 0.00 0.00 60.65 58.74 2qri h LYS 173 Cb 0.30 -0.20 -0.02 0.00 -1.58 0.00 0.00 32.23 30.74 2qri h LYS 173 CO -0.19 0.57 -0.54 -0.91 -1.08 0.00 0.00 179.45 177.31 2qri h ASN 174 N 0.89 0.00 0.00 0.86 2.35 -1.24 -3.40 115.58 115.05 2qri h ASN 174 Ca 0.27 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.02 2qri h ASN 174 Cb -0.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.34 2qri h ASN 174 CO -0.09 0.54 -0.06 0.61 -1.65 0.00 0.00 177.43 176.78 2qri n GLY 175 N 0.03 -1.75 0.33 2.83 0.00 -0.08 -4.83 105.19 101.72 2qri n GLY 175 Ca -0.01 -0.02 0.02 0.00 0.00 0.00 0.00 46.02 46.01 2qri n GLY 175 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2qri h ASN 176 N 0.00 0.69 -0.64 1.61 -0.73 0.15 0.29 115.58 116.94 2qri h ASN 176 Ca 0.00 -0.02 0.08 0.00 1.87 0.00 0.00 56.30 58.23 2qri h ASN 176 Cb 0.99 -0.17 -0.06 0.00 0.27 0.00 0.00 38.32 39.35 2qri h ASN 176 CO 0.00 0.50 0.31 0.00 -0.37 0.00 0.00 177.43 177.88 2qri h ALA 177 N 1.62 0.85 -0.29 1.57 0.00 -1.88 0.37 119.26 121.50 2qri h ALA 177 Ca 0.22 0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.99 2qri h ALA 177 Cb -0.09 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 2qri h ALA 177 CO -0.05 -0.06 -0.53 1.15 0.00 0.00 0.00 179.25 179.76 2qri h THR 178 N 0.56 1.28 -0.06 0.00 2.02 -1.61 -3.16 112.91 111.94 2qri h THR 178 Ca 0.30 -1.72 -0.06 0.00 0.77 0.00 0.00 66.41 65.71 2qri h THR 178 Cb 0.28 1.61 -0.01 0.00 -1.74 0.00 0.00 68.15 68.29 2qri h THR 178 CO -0.23 0.56 -0.22 -0.07 0.37 0.00 0.00 175.52 175.93 2qri h LEU 179 N 0.67 0.09 0.00 2.58 3.38 0.80 -2.67 115.31 120.16 2qri h LEU 179 Ca 0.02 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2qri h LEU 179 Cb 1.13 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.86 2qri h LEU 179 CO 0.12 0.32 0.00 0.18 0.09 0.00 0.00 178.44 179.15 2qri n LEU 180 N -4.24 0.00 -4.76 1.67 4.77 0.12 -4.88 117.00 109.68 2qri n LEU 180 Ca -0.02 0.46 -0.38 0.00 -0.03 0.00 0.00 56.01 56.04 2qri n LEU 180 Cb 0.30 -0.46 0.01 0.00 -2.33 0.00 0.00 43.42 40.94 2qri n LEU 180 CO 0.38 -0.05 0.94 -0.60 -1.33 0.00 0.00 177.39 176.73 2qri s ARG 181 N -2.92 3.62 0.03 3.23 3.52 -1.01 -5.05 118.95 120.38 2qri s ARG 181 Ca 0.15 2.09 0.01 0.00 -0.13 0.00 0.00 55.73 57.85 2qri s ARG 181 Cb 0.17 -2.49 -0.02 0.00 -1.56 0.00 0.00 34.95 31.05 2qri s ARG 181 CO 0.46 -0.76 -0.05 0.95 -0.81 0.00 0.00 175.30 175.09 2qri s THR 182 N -1.35 0.30 -0.16 4.11 -4.23 -1.26 -4.55 115.64 108.50 2qri s THR 182 Ca 0.64 -0.93 0.00 0.00 -1.18 0.00 0.00 61.69 60.22 2qri s THR 182 Cb -0.36 -0.41 0.03 0.00 1.34 0.00 0.00 72.50 73.10 2qri s THR 182 CO 0.45 -0.41 -0.13 -1.81 -0.54 0.00 0.00 174.62 172.18 2qri s ASP 183 N -1.41 2.83 0.42 3.99 1.01 0.11 -4.93 116.67 118.68 2qri s ASP 183 Ca -0.12 -0.57 -0.24 0.00 0.71 0.00 0.00 52.55 52.33 2qri s ASP 183 Cb -0.09 -1.19 -0.08 0.00 1.01 0.00 0.00 42.92 42.56 2qri s ASP 183 CO -0.00 -0.07 1.15 -0.44 0.21 0.00 0.00 175.17 176.01 2qri s SER 184 N 1.47 6.45 0.47 0.27 0.01 -1.26 -1.17 113.70 119.93 2qri s SER 184 Ca 0.04 2.28 -0.21 0.00 1.31 0.00 0.00 55.95 59.37 2qri s SER 184 Cb -0.13 -2.61 -0.08 0.00 0.21 0.00 0.00 66.02 63.41 2qri s SER 184 CO -0.10 -0.72 1.07 -2.16 0.41 0.00 0.00 173.24 171.73 2qri s PRO 185 N -2.45 3.84 -0.18 12.44 0.04 -1.26 -4.37 135.00 143.05 2qri s PRO 185 Ca 0.59 1.48 -0.05 0.00 0.04 0.00 0.00 61.00 63.06 2qri s PRO 185 Cb -0.29 -2.24 -0.03 0.00 0.04 0.00 0.00 34.50 31.99 2qri s PRO 185 CO 0.35 -0.42 0.00 0.15 0.04 0.00 0.00 177.00 177.13 2qri s LYS 186 N -2.98 3.71 0.13 4.56 -0.14 -0.39 -4.89 119.74 119.73 2qri s LYS 186 Ca 0.65 -0.48 0.07 0.00 -1.36 0.00 0.00 55.97 54.85 2qri s LYS 186 Cb -0.20 -3.06 -0.04 0.00 -1.68 0.00 0.00 37.83 32.85 2qri s LYS 186 CO 0.24 0.14 -0.16 0.00 -0.76 0.00 0.00 175.35 174.81 2qri s ALA 187 N 0.67 1.65 0.22 5.17 0.00 -1.25 -0.88 121.76 127.33 2qri s ALA 187 Ca -0.00 -1.31 -0.22 0.00 0.00 0.00 0.00 51.96 50.44 2qri s ALA 187 Cb -0.14 -0.13 0.04 0.00 0.00 0.00 0.00 23.12 22.89 2qri s ALA 187 CO 0.02 0.18 0.65 -3.38 0.00 0.00 0.00 175.76 173.24 2qri s HIS 188 N -1.87 -0.33 -0.13 0.00 -3.43 -0.96 -4.98 115.29 103.58 2qri s HIS 188 Ca 0.09 -0.01 0.00 0.00 -0.80 0.00 0.00 55.06 54.35 2qri s HIS 188 Cb -0.06 0.62 -0.01 0.00 -1.43 0.00 0.00 32.58 31.69 2qri s HIS 188 CO 0.04 -1.04 -0.14 0.08 -2.00 0.00 0.00 174.74 171.68 2qri s VAL 189 N -3.84 2.93 0.18 -5.38 1.01 -1.26 -0.51 120.40 113.53 2qri s VAL 189 Ca 0.07 -0.70 0.05 0.00 0.00 0.00 0.00 61.98 61.40 2qri s VAL 189 Cb -0.03 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 2qri s VAL 189 CO -0.03 0.52 0.13 0.42 0.00 0.00 0.00 175.10 176.15 2qri s THR 190 N 0.46 4.41 -0.13 3.92 -4.23 0.01 -4.78 115.64 115.30 2qri s THR 190 Ca -0.10 -1.16 0.02 0.00 -1.18 0.00 0.00 61.69 59.28 2qri s THR 190 Cb -0.16 -3.27 0.00 0.00 1.34 0.00 0.00 72.50 70.41 2qri s THR 190 CO 0.05 -0.14 -0.20 -2.28 -0.54 0.00 0.00 174.62 171.50 2qri s HIS 191 N -1.80 2.67 -0.00 3.99 2.46 -1.26 -1.32 115.29 120.03 2qri s HIS 191 Ca 0.31 -1.13 0.03 0.00 0.47 0.00 0.00 55.06 54.74 2qri s HIS 191 Cb -0.10 -1.80 -0.01 0.00 -0.13 0.00 0.00 32.58 30.55 2qri s HIS 191 CO 0.23 -0.49 -0.09 -1.01 -2.47 0.00 0.00 174.74 170.91 2qri s HIS 192 N 0.63 0.79 0.58 3.88 3.76 -0.49 -5.00 115.29 119.43 2qri s HIS 192 Ca -0.11 -0.18 -0.15 0.00 -0.15 0.00 0.00 55.06 54.48 2qri s HIS 192 Cb -0.16 -0.50 -0.05 0.00 1.11 0.00 0.00 32.58 32.98 2qri s HIS 192 CO 0.03 -0.01 1.03 -1.54 -0.85 0.00 0.00 174.74 173.39 2qri s SER 193 N -0.33 6.11 0.19 1.40 1.04 -1.26 -0.07 113.70 120.77 2qri s SER 193 Ca 0.02 1.66 0.00 0.00 0.48 0.00 0.00 55.95 58.12 2qri s SER 193 Cb -0.04 -2.51 -0.04 0.00 0.10 0.00 0.00 66.02 63.52 2qri s SER 193 CO -0.00 -0.94 0.08 -0.13 0.98 0.00 0.00 173.24 173.22 2qri s ARG 194 N -4.28 1.15 0.07 4.02 0.52 -0.80 -4.71 118.95 114.93 2qri s ARG 194 Ca 0.60 -1.59 -0.33 0.00 -0.52 0.00 0.00 55.73 53.90 2qri s ARG 194 Cb -0.13 0.04 -0.12 0.00 0.52 0.00 0.00 34.95 35.26 2qri s ARG 194 CO 0.38 -0.28 1.77 -2.30 0.02 0.00 0.00 175.30 174.89 2qri n PRO 195 N -0.26 2.40 0.00 3.54 -0.02 -1.26 -4.39 135.00 135.01 2qri n PRO 195 Ca -0.02 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 2qri n PRO 195 Cb 0.65 -2.71 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 2qri n PRO 195 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2qri n GLU 196 N 5.22 0.00 0.00 -0.52 1.02 -1.26 -3.81 120.64 121.29 2qri n GLU 196 Ca 0.19 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.33 2qri n GLU 196 Cb 0.32 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.74 2qri n GLU 196 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2qri n ASP 197 N -3.08 0.00 -4.63 1.62 5.68 -1.26 -4.75 116.55 110.13 2qri n ASP 197 Ca 0.00 0.00 -0.25 0.00 -0.50 0.00 0.00 54.79 54.04 2qri n ASP 197 Cb 0.00 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 39.90 2qri n ASP 197 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 2qri s LYS 198 N -0.60 2.27 0.03 0.11 -0.14 -1.25 -0.12 119.74 120.05 2qri s LYS 198 Ca 0.00 -1.29 -0.03 0.00 -1.36 0.00 0.00 55.97 53.29 2qri s LYS 198 Cb 0.00 -2.22 -0.02 0.00 -1.68 0.00 0.00 37.83 33.91 2qri s LYS 198 CO 0.00 0.41 0.03 0.14 -0.76 0.00 0.00 175.35 175.17 2qri s VAL 199 N -2.00 0.14 -0.17 3.17 -7.23 -0.30 -1.91 120.40 112.10 2qri s VAL 199 Ca 0.29 -1.19 -0.05 0.00 -1.81 0.00 0.00 61.98 59.22 2qri s VAL 199 Cb -0.08 -0.83 -0.03 0.00 0.56 0.00 0.00 36.38 36.00 2qri s VAL 199 CO 0.18 -0.66 -0.01 -0.89 -0.31 0.00 0.00 175.10 173.42 2qri s THR 200 N -2.52 4.12 -0.17 5.32 2.01 0.89 -0.65 115.64 124.65 2qri s THR 200 Ca -0.06 -0.27 -0.04 0.00 0.31 0.00 0.00 61.69 61.63 2qri s THR 200 Cb -0.02 -2.83 -0.03 0.00 0.01 0.00 0.00 72.50 69.63 2qri s THR 200 CO -0.05 0.47 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.58 2qri s LEU 201 N 0.47 3.29 -0.12 4.42 1.43 -0.40 -1.39 118.68 126.38 2qri s LEU 201 Ca -0.02 -0.13 0.03 0.00 -1.03 0.00 0.00 54.13 52.98 2qri s LEU 201 Cb -0.14 -1.80 -0.00 0.00 0.03 0.00 0.00 46.19 44.28 2qri s LEU 201 CO 0.02 0.14 -0.21 -0.60 0.23 0.00 0.00 176.35 175.93 2qri s ARG 202 N 0.53 3.11 -0.27 1.70 3.52 -0.43 -1.58 118.95 125.53 2qri s ARG 202 Ca -0.02 -0.83 -0.10 0.00 -0.13 0.00 0.00 55.73 54.64 2qri s ARG 202 Cb -0.14 -2.42 -0.05 0.00 -1.56 0.00 0.00 34.95 30.79 2qri s ARG 202 CO 0.02 0.12 0.17 0.00 -0.81 0.00 0.00 175.30 174.80 2qri s TRP 204 N 1.60 3.23 -0.16 0.00 0.52 0.34 -1.64 118.94 122.83 2qri s TRP 204 Ca 0.07 0.18 0.00 0.00 0.02 0.00 0.00 56.10 56.37 2qri s TRP 204 Cb -0.15 -1.87 0.03 0.00 -1.15 0.00 0.00 33.47 30.32 2qri s TRP 204 CO 0.09 0.42 -0.14 0.00 0.02 0.00 0.00 176.95 177.34 2qri s ALA 205 N -0.60 1.90 0.10 0.98 0.00 -0.31 -2.26 121.76 121.56 2qri s ALA 205 Ca 0.10 -0.97 0.05 0.00 0.00 0.00 0.00 51.96 51.15 2qri s ALA 205 Cb -0.12 -1.10 -0.03 0.00 0.00 0.00 0.00 23.12 21.87 2qri s ALA 205 CO 0.02 -0.45 -0.13 -0.51 0.00 0.00 0.00 175.76 174.69 2qri s LEU 206 N 1.46 2.36 -1.35 0.00 1.43 -0.06 -1.42 118.68 121.10 2qri s LEU 206 Ca 0.04 -0.74 0.00 0.00 -1.03 0.00 0.00 54.13 52.40 2qri s LEU 206 Cb -0.13 -0.48 0.00 0.00 0.03 0.00 0.00 46.19 45.61 2qri s LEU 206 CO -0.10 -0.14 0.00 0.61 0.23 0.00 0.00 176.35 176.94 2qri n GLY 207 N 0.83 0.54 3.95 -3.19 0.00 -0.74 -1.27 105.19 105.31 2qri n GLY 207 Ca -0.18 -0.32 -0.24 0.00 0.00 0.00 0.00 46.02 45.29 2qri n GLY 207 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2qri s PHE 208 N -2.63 3.47 -0.24 1.61 -0.71 -1.11 -4.57 117.98 113.80 2qri s PHE 208 Ca 0.00 0.16 -0.19 0.00 -1.04 0.00 0.00 56.93 55.86 2qri s PHE 208 Cb 0.00 -1.72 0.07 0.00 -1.21 0.00 0.00 43.02 40.16 2qri s PHE 208 CO 0.00 0.36 0.63 -0.47 -1.34 0.00 0.00 175.22 174.40 2qri s TYR 209 N -2.00 -0.79 0.44 3.49 6.14 -0.32 -0.07 117.35 124.23 2qri s TYR 209 Ca 0.36 1.79 -0.07 0.00 0.64 0.00 0.00 57.07 59.79 2qri s TYR 209 Cb -0.10 0.35 0.11 0.00 0.42 0.00 0.00 41.96 42.74 2qri s TYR 209 CO 0.31 -0.39 0.43 -0.35 0.64 0.00 0.00 175.55 176.18 2qri n PRO 210 N 3.31 -1.52 0.20 4.97 -0.04 -1.26 0.04 135.00 140.71 2qri n PRO 210 Ca -0.16 -0.68 0.07 0.00 -0.04 0.00 0.00 63.50 62.69 2qri n PRO 210 Cb 0.56 -0.59 0.40 0.00 -0.04 0.00 0.00 33.50 33.83 2qri n PRO 210 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2qri h ALA 211 N -2.20 1.04 -2.54 0.55 0.00 -1.96 -3.45 119.26 110.70 2qri h ALA 211 Ca -0.15 -0.29 -0.52 0.00 0.00 0.00 0.00 54.91 53.95 2qri h ALA 211 Cb 0.46 -0.05 0.04 0.00 0.00 0.00 0.00 17.79 18.24 2qri h ALA 211 CO 0.10 0.39 1.10 -0.51 0.00 0.00 0.00 179.25 180.34 2qri s ASP 212 N -6.37 6.41 0.12 0.00 1.01 -1.26 -4.95 116.67 111.63 2qri s ASP 212 Ca -0.00 2.79 -0.24 0.00 0.71 0.00 0.00 52.55 55.80 2qri s ASP 212 Cb 0.11 -2.57 0.08 0.00 1.01 0.00 0.00 42.92 41.54 2qri s ASP 212 CO 0.67 -1.00 0.69 -0.51 0.21 0.00 0.00 175.17 175.22 2qri s ILE 213 N 2.51 0.00 -0.04 0.77 2.07 -1.26 -4.65 121.20 120.60 2qri s ILE 213 Ca 0.80 -0.07 0.00 0.00 -1.41 0.00 0.00 60.65 59.98 2qri s ILE 213 Cb -0.47 -1.07 0.03 0.00 0.13 0.00 0.00 42.46 41.08 2qri s ILE 213 CO 0.36 0.00 0.00 -0.89 -1.91 0.00 0.00 174.94 172.50 2qri s THR 214 N -3.58 0.19 -0.09 4.00 2.01 -0.84 -5.01 115.64 112.31 2qri s THR 214 Ca 0.03 0.11 0.04 0.00 0.31 0.00 0.00 61.69 62.18 2qri s THR 214 Cb -0.01 -0.30 -0.01 0.00 0.01 0.00 0.00 72.50 72.19 2qri s THR 214 CO -0.11 0.16 -0.21 -0.76 -0.69 0.00 0.00 174.62 173.02 2qri s LEU 215 N 1.22 2.31 0.06 4.42 1.43 -1.26 -1.27 118.68 125.59 2qri s LEU 215 Ca -0.07 -0.44 0.02 0.00 -1.03 0.00 0.00 54.13 52.61 2qri s LEU 215 Cb -0.13 -1.46 -0.03 0.00 0.03 0.00 0.00 46.19 44.59 2qri s LEU 215 CO -0.02 0.21 -0.07 0.42 0.23 0.00 0.00 176.35 177.12 2qri s THR 216 N 0.05 0.57 -0.05 5.49 -4.23 -0.22 -4.98 115.64 112.27 2qri s THR 216 Ca -0.08 -1.39 0.06 0.00 -1.18 0.00 0.00 61.69 59.10 2qri s THR 216 Cb -0.15 -0.99 -0.02 0.00 1.34 0.00 0.00 72.50 72.68 2qri s THR 216 CO 0.05 -0.57 -0.24 0.26 -0.54 0.00 0.00 174.62 173.59 2qri s TRP 217 N -2.22 2.45 0.05 3.99 0.52 -1.26 0.22 118.94 122.69 2qri s TRP 217 Ca -0.02 -0.55 0.08 0.00 0.02 0.00 0.00 56.10 55.63 2qri s TRP 217 Cb -0.04 -1.58 -0.03 0.00 -1.15 0.00 0.00 33.47 30.67 2qri s TRP 217 CO -0.02 -0.10 -0.22 -0.65 0.02 0.00 0.00 176.95 175.97 2qri s GLN 218 N -0.37 1.47 -0.24 4.98 -0.21 0.61 -0.67 119.66 125.22 2qri s GLN 218 Ca 0.03 -1.03 0.00 0.00 0.02 0.00 0.00 55.36 54.38 2qri s GLN 218 Cb -0.12 -1.63 0.04 0.00 1.00 0.00 0.00 33.01 32.29 2qri s GLN 218 CO 0.02 0.41 -0.09 -1.17 -2.12 0.00 0.00 175.29 172.34 2qri s LEU 219 N -1.31 3.14 -1.17 2.90 2.96 -0.40 -1.81 118.68 122.98 2qri s LEU 219 Ca 0.09 -1.02 -0.31 0.00 -0.22 0.00 0.00 54.13 52.67 2qri s LEU 219 Cb -0.09 -1.60 0.04 0.00 0.50 0.00 0.00 46.19 45.04 2qri s LEU 219 CO 0.02 -0.13 0.67 0.59 -1.32 0.00 0.00 176.35 176.18 2qri n ASN 220 N 4.59 -4.20 0.00 3.68 3.02 -1.21 -1.56 115.26 119.58 2qri n ASN 220 Ca -0.16 -1.27 0.00 0.00 -0.03 0.00 0.00 54.58 53.12 2qri n ASN 220 Cb 0.46 -1.62 0.00 0.00 -0.61 0.00 0.00 39.78 38.01 2qri n ASN 220 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qri n GLY 221 N -2.05 2.98 3.70 7.41 0.00 -1.26 -5.01 105.19 110.96 2qri n GLY 221 Ca -0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.53 2qri n GLY 221 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2qri s GLU 222 N -0.08 4.14 0.31 1.61 2.12 -0.60 -5.04 118.70 121.16 2qri s GLU 222 Ca 0.00 -0.24 -0.29 0.00 0.36 0.00 0.00 54.97 54.80 2qri s GLU 222 Cb 0.00 -3.42 -0.10 0.00 0.26 0.00 0.00 34.13 30.87 2qri s GLU 222 CO 0.00 0.25 1.36 -1.21 -0.54 0.00 0.00 175.26 175.11 2qri s GLU 223 N 0.51 4.31 0.14 4.30 2.02 -1.26 -1.28 118.70 127.44 2qri s GLU 223 Ca 0.07 2.27 -0.06 0.00 0.02 0.00 0.00 54.97 57.27 2qri s GLU 223 Cb -0.12 -3.07 -0.06 0.00 0.10 0.00 0.00 34.13 30.98 2qri s GLU 223 CO -0.00 -0.28 0.39 -0.51 0.02 0.00 0.00 175.26 174.88 2qri s LEU 224 N -1.45 4.27 0.06 1.80 1.43 0.15 -4.91 118.68 120.03 2qri s LEU 224 Ca 0.52 0.65 0.00 0.00 -1.03 0.00 0.00 54.13 54.27 2qri s LEU 224 Cb -0.41 -3.28 0.00 0.00 0.03 0.00 0.00 46.19 42.53 2qri s LEU 224 CO 0.51 0.06 0.00 -0.38 0.23 0.00 0.00 176.35 176.78 2qri n ILE 225 N 0.21 0.66 0.00 -0.59 5.41 -1.26 -4.78 119.36 119.01 2qri n ILE 225 Ca -0.03 0.22 0.00 0.00 1.00 0.00 0.00 62.75 63.94 2qri n ILE 225 Cb 0.52 -1.48 0.00 0.00 -0.71 0.00 0.00 39.64 37.97 2qri n ILE 225 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2qri n GLN 226 N -3.27 0.00 0.00 0.38 6.02 -1.26 -3.10 117.38 116.15 2qri n GLN 226 Ca 0.00 0.09 0.00 0.00 -0.01 0.00 0.00 57.00 57.08 2qri n GLN 226 Cb 0.20 -0.70 0.00 0.00 1.02 0.00 0.00 30.24 30.77 2qri n GLN 226 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 2qri n ASP 227 N -0.29 0.02 -4.85 1.08 8.00 -1.26 -4.78 116.55 114.46 2qri n ASP 227 Ca 0.00 -0.05 -0.33 0.00 0.71 0.00 0.00 54.79 55.12 2qri n ASP 227 Cb 0.00 -0.01 -0.06 0.00 -0.02 0.00 0.00 41.12 41.03 2qri n ASP 227 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 2qri s MET 228 N -1.40 3.98 -0.08 -1.24 -1.94 -1.18 -3.07 119.30 114.38 2qri s MET 228 Ca 0.00 0.60 -0.04 0.00 -1.71 0.00 0.00 55.69 54.54 2qri s MET 228 Cb 0.00 -2.53 0.04 0.00 2.01 0.00 0.00 34.83 34.35 2qri s MET 228 CO 0.00 0.22 0.18 -2.00 -0.01 0.00 0.00 175.02 173.41 2qri s GLU 229 N -2.82 0.14 0.06 2.03 2.12 -0.44 -4.97 118.70 114.81 2qri s GLU 229 Ca 0.51 0.41 0.05 0.00 0.36 0.00 0.00 54.97 56.30 2qri s GLU 229 Cb -0.11 -0.13 -0.03 0.00 0.26 0.00 0.00 34.13 34.12 2qri s GLU 229 CO 0.18 -0.15 -0.14 -0.51 -0.54 0.00 0.00 175.26 174.10 2qri s LEU 230 N 1.09 2.24 0.20 2.70 1.43 -1.26 -0.16 118.68 124.92 2qri s LEU 230 Ca -0.08 -0.57 0.07 0.00 -1.03 0.00 0.00 54.13 52.52 2qri s LEU 230 Cb -0.10 -0.55 -0.04 0.00 0.03 0.00 0.00 46.19 45.53 2qri s LEU 230 CO -0.06 -0.04 0.10 0.68 0.23 0.00 0.00 176.35 177.26 2qri s VAL 231 N -1.14 4.15 0.52 -1.59 -7.23 -1.13 -5.04 120.40 108.94 2qri s VAL 231 Ca -0.01 -1.35 -0.21 0.00 -1.81 0.00 0.00 61.98 58.60 2qri s VAL 231 Cb -0.09 -3.15 -0.06 0.00 0.56 0.00 0.00 36.38 33.63 2qri s VAL 231 CO 0.02 -0.20 1.16 -1.61 -0.31 0.00 0.00 175.10 174.16 2qri s GLU 232 N -3.32 3.46 0.30 4.82 0.41 -1.26 -4.61 118.70 118.51 2qri s GLU 232 Ca 0.31 1.72 -0.30 0.00 -0.41 0.00 0.00 54.97 56.29 2qri s GLU 232 Cb -0.09 -2.16 -0.12 0.00 -1.78 0.00 0.00 34.13 29.98 2qri s GLU 232 CO 0.22 -0.78 1.60 2.41 -0.49 0.00 0.00 175.26 178.22 2qri n THR 233 N -1.00 1.08 -4.12 3.63 -1.04 -1.26 -4.86 114.28 106.71 2qri n THR 233 Ca 0.10 -0.27 -0.16 0.00 -2.04 0.00 0.00 64.05 61.68 2qri n THR 233 Cb 0.49 -1.99 -0.12 0.00 -1.82 0.00 0.00 70.33 66.90 2qri n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2qri s ARG 234 N -0.61 0.69 0.09 -2.82 1.70 -0.60 -4.97 118.95 112.44 2qri s ARG 234 Ca 0.63 -0.87 -0.30 0.00 -0.47 0.00 0.00 55.73 54.72 2qri s ARG 234 Cb -0.49 -0.59 -0.06 0.00 -0.57 0.00 0.00 34.95 33.24 2qri s ARG 234 CO 0.49 0.12 1.20 -1.25 -1.08 0.00 0.00 175.30 174.79 2qri s PRO 235 N -1.67 4.44 0.44 3.89 0.04 -1.26 -0.61 135.00 140.27 2qri s PRO 235 Ca -0.06 1.80 0.24 0.00 0.04 0.00 0.00 61.00 63.03 2qri s PRO 235 Cb -0.10 -3.32 0.88 0.00 0.04 0.00 0.00 34.50 32.00 2qri s PRO 235 CO 0.01 -0.22 1.81 0.00 0.04 0.00 0.00 177.00 178.64 2qri h ALA 236 N 6.45 1.00 0.00 8.56 0.00 -1.30 -3.47 119.26 130.49 2qri h ALA 236 Ca -0.42 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.29 2qri h ALA 236 Cb 1.21 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2qri h ALA 236 CO 0.80 0.26 0.00 0.41 0.00 0.00 0.00 179.25 180.72 2qri n GLY 237 N 0.25 1.09 0.96 0.00 0.00 -1.26 -4.62 105.19 101.61 2qri n GLY 237 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 2qri n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2qri n ASP 238 N 0.00 3.59 0.00 1.61 5.68 -1.26 -4.93 116.55 121.23 2qri n ASP 238 Ca 0.00 -2.27 0.00 0.00 -0.50 0.00 0.00 54.79 52.02 2qri n ASP 238 Cb 0.00 -0.39 0.00 0.00 -1.14 0.00 0.00 41.12 39.59 2qri n ASP 238 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2qri n GLY 239 N 0.59 2.70 4.02 6.12 0.00 -1.26 -5.07 105.19 112.29 2qri n GLY 239 Ca 0.18 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.01 2qri n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qri s THR 240 N -2.65 2.47 0.38 2.61 -4.23 -1.26 -4.89 115.64 108.07 2qri s THR 240 Ca 0.00 -1.03 0.06 0.00 -1.18 0.00 0.00 61.69 59.55 2qri s THR 240 Cb 0.00 -2.50 -0.07 0.00 1.34 0.00 0.00 72.50 71.27 2qri s THR 240 CO 0.00 0.00 0.02 -0.36 -0.54 0.00 0.00 174.62 173.74 2qri s PHE 241 N -2.54 2.34 0.04 3.99 0.08 0.90 -0.86 117.98 121.93 2qri s PHE 241 Ca 0.58 -0.74 -0.00 0.00 0.12 0.00 0.00 56.93 56.88 2qri s PHE 241 Cb -0.07 -1.60 -0.03 0.00 -0.57 0.00 0.00 43.02 40.75 2qri s PHE 241 CO 0.36 0.33 -0.03 -0.65 -0.10 0.00 0.00 175.22 175.12 2qri s GLN 242 N -3.76 0.48 -0.06 0.44 -0.21 0.22 -1.79 119.66 114.98 2qri s GLN 242 Ca 0.35 -0.93 -0.29 0.00 0.02 0.00 0.00 55.36 54.50 2qri s GLN 242 Cb 0.09 0.13 0.10 0.00 1.00 0.00 0.00 33.01 34.33 2qri s GLN 242 CO 0.17 -0.07 0.86 0.21 -2.12 0.00 0.00 175.29 174.34 2qri s LYS 243 N -2.72 0.82 0.06 2.91 2.20 -0.51 -1.56 119.74 120.95 2qri s LYS 243 Ca -0.04 -0.01 -0.08 0.00 -0.36 0.00 0.00 55.97 55.49 2qri s LYS 243 Cb -0.01 0.38 -0.01 0.00 -1.51 0.00 0.00 37.83 36.69 2qri s LYS 243 CO -0.05 -0.30 0.15 1.67 -0.36 0.00 0.00 175.35 176.46 2qri s TRP 244 N -1.93 0.17 -0.01 4.03 1.48 -1.26 -1.16 118.94 120.26 2qri s TRP 244 Ca -0.02 -0.54 -0.01 0.00 -1.06 0.00 0.00 56.10 54.48 2qri s TRP 244 Cb -0.01 -0.10 0.00 0.00 -1.16 0.00 0.00 33.47 32.21 2qri s TRP 244 CO -0.01 -0.47 0.02 0.00 -4.06 0.00 0.00 176.95 172.43 2qri s ALA 245 N -3.35 -0.04 0.15 2.67 0.00 -0.65 -2.82 121.76 117.72 2qri s ALA 245 Ca 0.01 0.07 0.04 0.00 0.00 0.00 0.00 51.96 52.08 2qri s ALA 245 Cb 0.03 -0.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.06 2qri s ALA 245 CO -0.08 -0.01 -0.08 -1.54 0.00 0.00 0.00 175.76 174.04 2qri s SER 246 N 0.06 1.72 -0.00 0.00 1.04 0.77 0.33 113.70 117.62 2qri s SER 246 Ca -0.00 -1.04 -0.02 0.00 0.48 0.00 0.00 55.95 55.37 2qri s SER 246 Cb -0.01 0.01 -0.00 0.00 0.10 0.00 0.00 66.02 66.11 2qri s SER 246 CO -0.00 -0.37 0.03 0.68 0.98 0.00 0.00 173.24 174.56 2qri s VAL 247 N -3.38 0.05 -0.26 5.02 -7.23 -0.61 -1.33 120.40 112.67 2qri s VAL 247 Ca 0.18 -0.41 -0.11 0.00 -1.81 0.00 0.00 61.98 59.82 2qri s VAL 247 Cb 0.03 -0.19 -0.05 0.00 0.56 0.00 0.00 36.38 36.74 2qri s VAL 247 CO 0.01 -0.23 0.21 -0.69 -0.31 0.00 0.00 175.10 174.09 2qri s VAL 248 N -0.69 5.31 0.26 1.32 1.01 -1.17 -1.27 120.40 125.17 2qri s VAL 248 Ca -0.08 0.25 0.04 0.00 0.00 0.00 0.00 61.98 62.19 2qri s VAL 248 Cb -0.05 -3.55 -0.05 0.00 0.00 0.00 0.00 36.38 32.73 2qri s VAL 248 CO -0.00 0.28 -0.01 0.68 0.00 0.00 0.00 175.10 176.05 2qri s VAL 249 N 1.46 1.22 0.34 2.92 -7.23 0.18 -4.94 120.40 114.34 2qri s VAL 249 Ca 0.09 -2.05 -0.27 0.00 -1.81 0.00 0.00 61.98 57.93 2qri s VAL 249 Cb -0.15 -2.44 -0.09 0.00 0.56 0.00 0.00 36.38 34.26 2qri s VAL 249 CO 0.08 -0.27 1.15 -2.84 -0.31 0.00 0.00 175.10 172.91 2qri s PRO 250 N -3.83 4.35 0.27 4.82 0.02 -1.26 -1.15 135.00 138.22 2qri s PRO 250 Ca 0.30 1.84 -0.30 0.00 0.02 0.00 0.00 61.00 62.86 2qri s PRO 250 Cb 0.06 -2.93 -0.12 0.00 0.02 0.00 0.00 34.50 31.53 2qri s PRO 250 CO 0.10 -0.06 1.63 -1.17 -0.33 0.00 0.00 177.00 177.17 2qri s LEU 251 N -1.98 4.35 0.00 -5.54 2.96 0.83 -1.26 118.68 118.03 2qri s LEU 251 Ca 0.51 2.94 0.00 0.00 -0.22 0.00 0.00 54.13 57.36 2qri s LEU 251 Cb -0.32 -3.63 0.00 0.00 0.50 0.00 0.00 46.19 42.75 2qri s LEU 251 CO 0.40 -0.94 0.00 0.61 -1.32 0.00 0.00 176.35 175.11 2qri n GLY 252 N 2.62 2.95 1.34 7.98 0.00 -1.26 -4.90 105.19 113.91 2qri n GLY 252 Ca 0.10 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.18 2qri n GLY 252 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qri n LYS 253 N -2.00 3.52 -0.19 1.61 4.76 -0.39 -4.65 118.16 120.82 2qri n LYS 253 Ca 0.00 -2.99 0.08 0.00 -2.87 0.00 0.00 58.31 52.52 2qri n LYS 253 Cb 0.00 -2.01 0.37 0.00 -1.84 0.00 0.00 35.03 31.54 2qri n LYS 253 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 2qri h GLU 254 N 2.48 0.70 0.00 1.97 3.07 -1.91 -1.63 114.58 119.25 2qri h GLU 254 Ca 0.05 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 2qri h GLU 254 Cb 1.73 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 29.49 2qri h GLU 254 CO 0.38 0.46 0.00 1.04 -1.40 0.00 0.00 179.01 179.49 2qri n GLN 255 N -4.49 0.68 -0.03 2.33 1.13 -1.26 -2.59 117.38 113.15 2qri n GLN 255 Ca 0.11 0.00 0.13 0.00 -1.94 0.00 0.00 57.00 55.30 2qri n GLN 255 Cb 0.27 -1.50 0.35 0.00 0.11 0.00 0.00 30.24 29.47 2qri n GLN 255 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 2qri n TYR 256 N -1.00 0.08 -4.66 1.08 4.02 -0.61 -4.92 117.16 111.15 2qri n TYR 256 Ca 0.16 -0.04 -0.29 0.00 -0.01 0.00 0.00 57.90 57.72 2qri n TYR 256 Cb 0.08 0.00 -0.14 0.00 -0.02 0.00 0.00 39.34 39.26 2qri n TYR 256 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 2qri s TYR 257 N -1.92 2.28 -0.01 -0.72 1.51 -1.07 -3.28 117.35 114.15 2qri s TYR 257 Ca 0.34 -0.40 0.01 0.00 -1.01 0.00 0.00 57.07 56.02 2qri s TYR 257 Cb 0.20 -1.31 -0.00 0.00 -0.11 0.00 0.00 41.96 40.75 2qri s TYR 257 CO 0.31 0.21 -0.04 0.95 -1.11 0.00 0.00 175.55 175.88 2qri s THR 258 N -0.92 0.33 -0.03 -0.71 -4.23 -0.75 -4.59 115.64 104.74 2qri s THR 258 Ca 0.12 -0.16 -0.07 0.00 -1.18 0.00 0.00 61.69 60.40 2qri s THR 258 Cb -0.10 -0.29 -0.05 0.00 1.34 0.00 0.00 72.50 73.40 2qri s THR 258 CO 0.04 0.10 0.24 0.00 -0.54 0.00 0.00 174.62 174.46 2qri s HIS 260 N -1.21 1.91 -0.19 0.00 3.76 0.13 -0.79 115.29 118.90 2qri s HIS 260 Ca 0.24 -0.75 -0.01 0.00 -0.15 0.00 0.00 55.06 54.39 2qri s HIS 260 Cb -0.13 -1.33 0.01 0.00 1.11 0.00 0.00 32.58 32.24 2qri s HIS 260 CO 0.13 -0.34 -0.15 0.08 -0.85 0.00 0.00 174.74 173.61 2qri s VAL 261 N 0.54 2.47 -0.19 -0.90 1.01 -0.14 -1.06 120.40 122.13 2qri s VAL 261 Ca -0.16 -0.80 -0.02 0.00 0.00 0.00 0.00 61.98 61.00 2qri s VAL 261 Cb -0.17 -2.07 -0.01 0.00 0.00 0.00 0.00 36.38 34.14 2qri s VAL 261 CO 0.06 0.50 -0.09 -0.31 0.00 0.00 0.00 175.10 175.26 2qri s TYR 262 N 1.34 2.90 -0.19 5.22 1.51 -0.40 -0.96 117.35 126.77 2qri s TYR 262 Ca 0.05 -0.99 -0.17 0.00 -1.01 0.00 0.00 57.07 54.95 2qri s TYR 262 Cb -0.13 -2.02 0.05 0.00 -0.11 0.00 0.00 41.96 39.75 2qri s TYR 262 CO -0.10 -0.51 0.51 -1.58 -1.11 0.00 0.00 175.55 172.76 2qri s HIS 263 N 1.20 -0.58 -0.41 2.71 2.46 -1.26 -1.99 115.29 117.42 2qri s HIS 263 Ca 0.02 1.38 0.12 0.00 0.47 0.00 0.00 55.06 57.06 2qri s HIS 263 Cb -0.14 0.21 0.67 0.00 -0.13 0.00 0.00 32.58 33.18 2qri s HIS 263 CO -0.03 -0.28 1.34 0.00 -2.47 0.00 0.00 174.74 173.30 2qri n GLN 264 N 2.95 0.08 0.04 2.88 10.64 -1.26 -1.18 117.38 131.53 2qri n GLN 264 Ca -0.14 0.56 0.12 0.00 -1.83 0.00 0.00 57.00 55.70 2qri n GLN 264 Cb 0.56 -1.84 0.15 0.00 -0.86 0.00 0.00 30.24 28.26 2qri n GLN 264 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2qri n GLY 265 N -1.35 -1.32 3.77 2.61 0.00 -1.26 -4.91 105.19 102.74 2qri n GLY 265 Ca -0.01 -0.31 -0.39 0.00 0.00 0.00 0.00 46.02 45.31 2qri n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qri s LEU 266 N -3.82 4.53 0.40 0.99 1.43 -0.32 -4.67 118.68 117.22 2qri s LEU 266 Ca 0.07 1.76 0.09 0.00 -1.03 0.00 0.00 54.13 55.02 2qri s LEU 266 Cb 0.15 -3.59 0.85 0.00 0.03 0.00 0.00 46.19 43.62 2qri s LEU 266 CO 0.74 0.11 1.98 1.55 0.23 0.00 0.00 176.35 180.96 2qri h PRO 267 N 3.90 0.33 -2.76 1.29 0.13 -1.91 -3.45 132.00 129.54 2qri h PRO 267 Ca -0.46 -0.05 -0.03 0.00 -0.87 0.00 0.00 66.00 64.59 2qri h PRO 267 Cb 1.20 -0.06 -0.14 0.00 0.13 0.00 0.00 31.00 32.13 2qri h PRO 267 CO 0.66 0.35 0.21 -1.83 -0.23 0.00 0.00 178.00 177.15 2qri s GLU 268 N -5.02 1.23 0.42 0.86 -1.05 -1.26 -5.15 118.70 108.72 2qri s GLU 268 Ca -0.06 -0.30 -0.24 0.00 -0.15 0.00 0.00 54.97 54.22 2qri s GLU 268 Cb 0.16 0.57 -0.11 0.00 -0.44 0.00 0.00 34.13 34.31 2qri s GLU 268 CO 0.73 -0.51 0.93 -2.30 0.95 0.00 0.00 175.26 175.06 2qri n PRO 269 N -0.08 1.19 -3.28 -4.83 -0.02 -1.26 -4.96 135.00 121.75 2qri n PRO 269 Ca -0.17 0.43 -0.37 0.00 -2.02 0.00 0.00 63.50 61.36 2qri n PRO 269 Cb 0.63 -1.93 -0.06 0.00 -0.02 0.00 0.00 33.50 32.12 2qri n PRO 269 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2qri s LEU 270 N -0.10 4.45 -0.13 2.45 1.43 -0.13 -4.91 118.68 121.74 2qri s LEU 270 Ca 0.63 1.22 0.00 0.00 -1.03 0.00 0.00 54.13 54.96 2qri s LEU 270 Cb -0.57 -3.08 0.02 0.00 0.03 0.00 0.00 46.19 42.59 2qri s LEU 270 CO 0.57 0.20 -0.12 -0.89 0.23 0.00 0.00 176.35 176.33 2qri s THR 271 N -1.26 1.38 0.05 5.49 2.01 -1.26 -0.97 115.64 121.08 2qri s THR 271 Ca 0.33 -0.52 -0.01 0.00 0.31 0.00 0.00 61.69 61.79 2qri s THR 271 Cb -0.18 -1.31 -0.04 0.00 0.01 0.00 0.00 72.50 70.98 2qri s THR 271 CO 0.19 0.42 -0.01 -1.48 -0.69 0.00 0.00 174.62 173.05 2qri s LEU 272 N 1.45 2.39 0.13 4.42 2.34 0.03 -4.96 118.68 124.49 2qri s LEU 272 Ca 0.03 -0.92 -0.00 0.00 0.06 0.00 0.00 54.13 53.29 2qri s LEU 272 Cb -0.13 0.25 -0.04 0.00 -0.56 0.00 0.00 46.19 45.70 2qri s LEU 272 CO -0.08 -0.58 0.03 0.00 -1.06 0.00 0.00 176.35 174.67 2qri s ARG 273 N -3.66 0.93 0.11 1.48 1.70 -1.26 0.24 118.95 118.48 2qri s ARG 273 Ca 0.05 -1.44 -0.31 0.00 -0.47 0.00 0.00 55.73 53.56 2qri s ARG 273 Cb 0.06 0.12 -0.10 0.00 -0.57 0.00 0.00 34.95 34.46 2qri s ARG 273 CO -0.09 -0.21 1.87 1.87 -1.08 0.00 0.00 175.30 177.65 2qri n TRP 274 N -0.11 2.61 -4.03 5.89 -0.00 -1.26 -4.80 117.44 115.74 2qri n TRP 274 Ca -0.07 -0.19 -0.32 0.00 -0.00 0.00 0.00 57.50 56.93 2qri n TRP 274 Cb 0.63 -2.75 -0.15 0.00 -0.00 0.00 0.00 31.31 29.04 2qri n TRP 274 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 177.69 176.48 2qri s GLU 275 N 3.04 2.08 0.00 5.87 2.02 -1.26 -4.87 118.70 125.58 2qri s GLU 275 Ca 0.83 -1.24 0.00 0.00 0.02 0.00 0.00 54.97 54.59 2qri s GLU 275 Cb -0.47 -2.80 0.00 0.00 0.10 0.00 0.00 34.13 30.96 2qri s GLU 275 CO 0.38 -0.57 0.44 -2.30 0.02 0.00 0.00 175.26 173.24