#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tqc s ILE 2 N 0.00 4.41 0.07 -0.39 1.01 -1.26 -3.87 121.20 121.17 1tqc s ILE 2 Ca 0.00 0.65 0.04 0.00 0.00 0.00 0.00 60.65 61.34 1tqc s ILE 2 Cb 0.00 -4.49 -0.03 0.00 0.01 0.00 0.00 42.46 37.95 1tqc s ILE 2 CO 0.00 -0.96 -0.11 0.00 0.00 0.00 0.00 174.94 173.87 1tqc s GLN 3 N 3.92 0.76 -0.14 2.79 -2.07 0.53 -5.00 119.66 120.45 1tqc s GLN 3 Ca 0.36 -0.98 -0.01 0.00 -1.82 0.00 0.00 55.36 52.90 1tqc s GLN 3 Cb -0.10 -0.58 0.04 0.00 -1.09 0.00 0.00 33.01 31.28 1tqc s GLN 3 CO 0.25 0.11 -0.01 -0.51 -1.32 0.00 0.00 175.29 173.80 1tqc s LEU 4 N -1.97 1.13 -0.16 2.60 1.02 -1.26 -1.76 118.68 118.28 1tqc s LEU 4 Ca -0.01 -0.48 -0.00 0.00 0.02 0.00 0.00 54.13 53.65 1tqc s LEU 4 Cb -0.07 -0.67 -0.00 0.00 0.02 0.00 0.00 46.19 45.46 1tqc s LEU 4 CO 0.01 -0.21 -0.13 -0.69 0.02 0.00 0.00 176.35 175.34 1tqc s VAL 5 N 1.81 2.84 0.27 -1.59 1.01 -0.72 -3.91 120.40 120.11 1tqc s VAL 5 Ca 0.02 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 61.32 1tqc s VAL 5 Cb -0.14 -2.21 -0.03 0.00 0.00 0.00 0.00 36.38 33.99 1tqc s VAL 5 CO -0.07 0.50 0.42 -1.10 0.00 0.00 0.00 175.10 174.85 1tqc s GLN 6 N 0.82 3.46 0.79 2.72 -0.21 -1.26 -0.28 119.66 125.69 1tqc s GLN 6 Ca -0.05 -0.61 -0.12 0.00 0.02 0.00 0.00 55.36 54.60 1tqc s GLN 6 Cb -0.15 -2.82 0.07 0.00 1.00 0.00 0.00 33.01 31.11 1tqc s GLN 6 CO 0.00 0.34 1.13 -1.54 -2.12 0.00 0.00 175.29 173.11 1tqc s SER 7 N -3.96 4.11 1.24 5.90 1.04 0.05 -4.95 113.70 117.13 1tqc s SER 7 Ca 0.36 2.05 -0.17 0.00 0.48 0.00 0.00 55.95 58.67 1tqc s SER 7 Cb -0.09 -2.55 0.27 0.00 0.10 0.00 0.00 66.02 63.75 1tqc s SER 7 CO 0.31 -2.30 0.70 0.61 0.98 0.00 0.00 173.24 173.54 1tqc n GLY 8 N -0.43 -2.69 3.65 7.32 0.00 -1.26 -4.78 105.19 107.00 1tqc n GLY 8 Ca 0.11 -1.21 -0.36 0.00 0.00 0.00 0.00 46.02 44.56 1tqc n GLY 8 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1tqc n PRO 9 N -4.33 0.70 -4.17 1.61 -0.02 -1.26 -4.81 135.00 122.71 1tqc n PRO 9 Ca 0.05 0.29 -0.16 0.00 -2.02 0.00 0.00 63.50 61.66 1tqc n PRO 9 Cb 0.56 -2.32 -0.14 0.00 -0.02 0.00 0.00 33.50 31.58 1tqc n PRO 9 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1tqc s GLU 10 N -3.32 0.49 -0.16 -0.52 0.41 0.41 -4.93 118.70 111.08 1tqc s GLU 10 Ca 0.76 -0.32 -0.00 0.00 -0.41 0.00 0.00 54.97 55.01 1tqc s GLU 10 Cb -0.36 -0.44 0.04 0.00 -1.78 0.00 0.00 34.13 31.58 1tqc s GLU 10 CO 0.47 0.12 -0.07 -1.17 -0.49 0.00 0.00 175.26 174.12 1tqc s LEU 11 N -0.41 1.58 0.11 1.80 2.96 -1.26 -0.16 118.68 123.30 1tqc s LEU 11 Ca 0.00 -0.59 0.03 0.00 -0.22 0.00 0.00 54.13 53.35 1tqc s LEU 11 Cb -0.04 -0.94 -0.04 0.00 0.50 0.00 0.00 46.19 45.67 1tqc s LEU 11 CO -0.00 -0.16 -0.09 -0.54 -1.32 0.00 0.00 176.35 174.24 1tqc s LYS 12 N 1.62 0.87 0.32 1.98 -0.14 0.88 -4.97 119.74 120.31 1tqc s LYS 12 Ca 0.02 -1.25 -0.06 0.00 -1.36 0.00 0.00 55.97 53.32 1tqc s LYS 12 Cb -0.15 -0.45 -0.05 0.00 -1.68 0.00 0.00 37.83 35.50 1tqc s LYS 12 CO -0.08 0.05 0.60 0.15 -0.76 0.00 0.00 175.35 175.31 1tqc s LYS 13 N -3.23 3.65 0.26 1.68 1.02 -1.26 -2.43 119.74 119.43 1tqc s LYS 13 Ca 0.09 0.08 -0.31 0.00 0.02 0.00 0.00 55.97 55.85 1tqc s LYS 13 Cb 0.00 -2.59 -0.12 0.00 -0.52 0.00 0.00 37.83 34.60 1tqc s LYS 13 CO -0.01 0.16 1.59 -2.30 -0.92 0.00 0.00 175.35 173.86 1tqc n PRO 14 N -1.06 2.58 0.00 -1.68 -0.02 -1.26 -1.38 135.00 132.18 1tqc n PRO 14 Ca -0.01 0.92 0.00 0.00 -2.02 0.00 0.00 63.50 62.39 1tqc n PRO 14 Cb 0.54 -2.69 0.00 0.00 -0.02 0.00 0.00 33.50 31.33 1tqc n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1tqc n GLY 15 N 2.56 1.05 3.95 -1.23 0.00 0.17 -4.90 105.19 106.80 1tqc n GLY 15 Ca 0.11 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.87 1tqc n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1tqc s GLU 16 N -0.70 1.67 0.38 1.61 2.02 -0.48 -4.23 118.70 118.96 1tqc s GLU 16 Ca 0.00 -0.57 0.08 0.00 0.02 0.00 0.00 54.97 54.50 1tqc s GLU 16 Cb 0.00 -2.15 -0.07 0.00 0.10 0.00 0.00 34.13 32.01 1tqc s GLU 16 CO 0.00 -1.58 -0.00 0.99 0.02 0.00 0.00 175.26 174.69 1tqc s THR 17 N -3.36 2.21 -0.01 3.63 2.01 -1.26 -1.12 115.64 117.74 1tqc s THR 17 Ca 0.65 -2.02 -0.13 0.00 0.31 0.00 0.00 61.69 60.50 1tqc s THR 17 Cb -0.07 -2.86 0.02 0.00 0.01 0.00 0.00 72.50 69.59 1tqc s THR 17 CO 0.46 -0.09 0.27 0.68 -0.69 0.00 0.00 174.62 175.25 1tqc s VAL 18 N -2.64 0.06 -0.34 3.82 -7.23 -0.80 -5.00 120.40 108.28 1tqc s VAL 18 Ca 0.35 -0.53 -0.01 0.00 -1.81 0.00 0.00 61.98 59.98 1tqc s VAL 18 Cb 0.05 -0.58 0.11 0.00 0.56 0.00 0.00 36.38 36.53 1tqc s VAL 18 CO 0.18 -0.29 0.15 -0.75 -0.31 0.00 0.00 175.10 174.09 1tqc s LYS 19 N -1.36 0.66 0.16 4.82 2.20 -1.26 -1.14 119.74 123.81 1tqc s LYS 19 Ca -0.14 -1.17 -0.22 0.00 -0.36 0.00 0.00 55.97 54.08 1tqc s LYS 19 Cb -0.06 -1.71 -0.08 0.00 -1.51 0.00 0.00 37.83 34.48 1tqc s LYS 19 CO 0.04 -1.07 0.72 0.42 -0.36 0.00 0.00 175.35 175.09 1tqc s ILE 20 N 1.39 4.50 0.33 5.43 1.01 0.31 -4.91 121.20 129.27 1tqc s ILE 20 Ca 0.13 1.48 0.09 0.00 0.00 0.00 0.00 60.65 62.35 1tqc s ILE 20 Cb -0.19 -4.01 -0.06 0.00 0.01 0.00 0.00 42.46 38.20 1tqc s ILE 20 CO -0.18 0.45 -0.08 -0.94 0.00 0.00 0.00 174.94 174.19 1tqc s SER 21 N -1.27 3.46 -0.09 3.58 1.04 -1.26 -0.65 113.70 118.51 1tqc s SER 21 Ca 0.36 -1.21 -0.08 0.00 0.48 0.00 0.00 55.95 55.51 1tqc s SER 21 Cb -0.21 -0.30 0.03 0.00 0.10 0.00 0.00 66.02 65.64 1tqc s SER 21 CO 0.23 -0.26 0.23 0.00 0.98 0.00 0.00 173.24 174.43 1tqc s LYS 23 N 0.32 3.06 0.46 0.00 1.02 0.61 -1.93 119.74 123.28 1tqc s LYS 23 Ca -0.02 -0.80 -0.06 0.00 0.02 0.00 0.00 55.97 55.12 1tqc s LYS 23 Cb -0.03 -2.62 -0.04 0.00 -0.52 0.00 0.00 37.83 34.62 1tqc s LYS 23 CO -0.01 -0.17 0.77 0.00 -0.92 0.00 0.00 175.35 175.01 1tqc s ALA 24 N 1.24 3.41 -0.30 5.17 0.00 -0.05 -1.75 121.76 129.49 1tqc s ALA 24 Ca 0.03 -0.47 -0.16 0.00 0.00 0.00 0.00 51.96 51.36 1tqc s ALA 24 Cb -0.14 -2.58 0.18 0.00 0.00 0.00 0.00 23.12 20.58 1tqc s ALA 24 CO -0.10 -0.27 1.12 -1.54 0.00 0.00 0.00 175.76 174.97 1tqc s SER 25 N -3.93 -0.30 0.00 0.00 1.04 -0.72 -4.85 113.70 104.93 1tqc s SER 25 Ca 0.48 0.46 0.00 0.00 0.48 0.00 0.00 55.95 57.36 1tqc s SER 25 Cb -0.10 1.20 0.00 0.00 0.10 0.00 0.00 66.02 67.21 1tqc s SER 25 CO 0.42 -0.07 0.00 0.61 0.98 0.00 0.00 173.24 175.18 1tqc n GLY 26 N 3.80 1.52 3.43 7.32 0.00 -1.25 -0.35 105.19 119.66 1tqc n GLY 26 Ca -0.15 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.77 1tqc n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1tqc s TYR 27 N -1.43 0.54 -0.41 1.61 1.13 -1.26 -4.66 117.35 112.87 1tqc s TYR 27 Ca 0.00 -0.87 -0.28 0.00 -1.41 0.00 0.00 57.07 54.51 1tqc s TYR 27 Cb 0.00 -0.04 -0.00 0.00 -1.10 0.00 0.00 41.96 40.81 1tqc s TYR 27 CO 0.00 -0.83 1.61 0.99 -2.51 0.00 0.00 175.55 174.81 1tqc s THR 28 N -4.03 3.67 0.25 -3.49 2.01 -1.26 -4.89 115.64 107.89 1tqc s THR 28 Ca 0.24 0.65 -0.04 0.00 0.31 0.00 0.00 61.69 62.85 1tqc s THR 28 Cb 0.02 -3.97 0.25 0.00 0.01 0.00 0.00 72.50 68.81 1tqc s THR 28 CO 0.07 -0.66 1.68 0.15 -0.69 0.00 0.00 174.62 175.16 1tqc h PHE 29 N 11.99 0.25 -0.43 4.92 3.57 -1.97 -2.56 116.94 132.72 1tqc h PHE 29 Ca -0.30 0.05 -0.18 0.00 3.53 0.00 0.00 57.97 61.07 1tqc h PHE 29 Cb 1.14 0.01 -0.11 0.00 2.79 0.00 0.00 35.95 39.77 1tqc h PHE 29 CO 0.98 -0.12 0.23 0.25 -2.23 0.00 0.00 178.31 177.42 1tqc n THR 30 N -5.18 1.88 0.22 4.41 -2.24 -1.26 -3.74 114.28 108.37 1tqc n THR 30 Ca 0.15 -0.88 0.03 0.00 -2.27 0.00 0.00 64.05 61.08 1tqc n THR 30 Cb 0.49 -0.63 -0.04 0.00 -2.10 0.00 0.00 70.33 68.05 1tqc n THR 30 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1tqc n ASN 31 N -0.13 1.15 -4.21 3.42 3.02 -0.96 -4.56 115.26 112.99 1tqc n ASN 31 Ca 0.25 -0.48 -0.25 0.00 -0.03 0.00 0.00 54.58 54.07 1tqc n ASN 31 Cb 0.98 1.08 -0.15 0.00 -0.61 0.00 0.00 39.78 41.08 1tqc n ASN 31 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1tqc s TYR 32 N -1.81 1.68 0.51 3.10 2.02 -1.24 -5.11 117.35 116.49 1tqc s TYR 32 Ca 0.01 -0.34 -0.04 0.00 -0.37 0.00 0.00 57.07 56.33 1tqc s TYR 32 Cb 0.05 -1.05 -0.01 0.00 -0.40 0.00 0.00 41.96 40.55 1tqc s TYR 32 CO 0.26 0.02 0.79 0.20 -1.57 0.00 0.00 175.55 175.25 1tqc s GLY 33 N -0.77 1.55 0.04 0.71 0.00 -1.26 -4.43 107.32 103.16 1tqc s GLY 33 Ca 0.07 -0.72 0.08 0.00 0.00 0.00 0.00 44.72 44.14 1tqc s GLY 33 CO 0.00 -0.52 -0.22 1.06 0.00 0.00 0.00 173.10 173.43 1tqc s MET 34 N -4.77 1.95 0.22 2.90 1.00 -0.55 -0.25 119.30 119.79 1tqc s MET 34 Ca 0.50 -1.04 0.08 0.00 0.00 0.00 0.00 55.69 55.23 1tqc s MET 34 Cb -0.10 -2.09 -0.04 0.00 0.00 0.00 0.00 34.83 32.59 1tqc s MET 34 CO 0.43 0.53 0.01 -0.80 0.00 0.00 0.00 175.02 175.19 1tqc s ASN 35 N -1.35 4.75 -0.07 3.03 0.01 -0.91 0.26 114.94 120.66 1tqc s ASN 35 Ca 0.13 -0.48 0.05 0.00 -0.71 0.00 0.00 52.86 51.86 1tqc s ASN 35 Cb -0.10 -0.98 -0.01 0.00 0.41 0.00 0.00 41.25 40.57 1tqc s ASN 35 CO 0.04 0.04 -0.24 -0.76 -1.51 0.00 0.00 177.10 174.67 1tqc s LEU 36 N -3.30 2.05 -0.01 0.60 1.02 -0.19 -1.67 118.68 117.18 1tqc s LEU 36 Ca 0.29 -0.51 0.05 0.00 0.02 0.00 0.00 54.13 53.98 1tqc s LEU 36 Cb -0.08 -1.34 -0.01 0.00 0.02 0.00 0.00 46.19 44.78 1tqc s LEU 36 CO 0.20 0.20 -0.16 -0.69 0.02 0.00 0.00 176.35 175.92 1tqc s VAL 37 N 0.04 1.25 0.19 -1.59 1.01 -0.71 -0.27 120.40 120.32 1tqc s VAL 37 Ca -0.09 -0.70 0.08 0.00 0.00 0.00 0.00 61.98 61.26 1tqc s VAL 37 Cb -0.15 -1.04 -0.04 0.00 0.00 0.00 0.00 36.38 35.14 1tqc s VAL 37 CO 0.05 0.33 0.01 -0.75 0.00 0.00 0.00 175.10 174.74 1tqc s LYS 38 N -0.43 2.41 -0.30 2.72 2.20 0.28 -0.85 119.74 125.76 1tqc s LYS 38 Ca 0.06 -1.14 0.03 0.00 -0.36 0.00 0.00 55.97 54.56 1tqc s LYS 38 Cb -0.06 -2.34 0.17 0.00 -1.51 0.00 0.00 37.83 34.08 1tqc s LYS 38 CO -0.00 0.44 0.44 -1.14 -0.36 0.00 0.00 175.35 174.73 1tqc s GLN 39 N -3.07 0.47 0.96 4.03 0.74 -0.99 -0.45 119.66 121.34 1tqc s GLN 39 Ca 0.28 0.07 -0.12 0.00 0.05 0.00 0.00 55.36 55.65 1tqc s GLN 39 Cb -0.09 -0.25 0.16 0.00 1.10 0.00 0.00 33.01 33.93 1tqc s GLN 39 CO 0.19 -1.06 1.09 0.00 -0.55 0.00 0.00 175.29 174.96 1tqc s ALA 40 N 2.45 1.13 0.19 1.58 0.00 -1.26 -0.89 121.76 124.96 1tqc s ALA 40 Ca 0.11 -0.05 -0.32 0.00 0.00 0.00 0.00 51.96 51.70 1tqc s ALA 40 Cb -0.12 -3.21 -0.11 0.00 0.00 0.00 0.00 23.12 19.68 1tqc s ALA 40 CO -0.26 -2.70 1.64 -2.14 0.00 0.00 0.00 175.76 172.30 1tqc s PRO 41 N -4.84 4.17 0.00 0.00 0.02 -1.26 -2.24 135.00 130.86 1tqc s PRO 41 Ca 0.65 2.49 0.00 0.00 0.02 0.00 0.00 61.00 64.16 1tqc s PRO 41 Cb -0.20 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.21 1tqc s PRO 41 CO 0.58 -0.67 0.00 0.41 -0.33 0.00 0.00 177.00 176.99 1tqc n GLY 42 N 3.77 2.29 3.39 0.52 0.00 -1.26 -4.97 105.19 108.93 1tqc n GLY 42 Ca 0.14 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.91 1tqc n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1tqc n LYS 43 N -1.78 -1.01 -1.19 1.61 5.02 -0.95 -5.11 118.16 114.76 1tqc n LYS 43 Ca 0.00 -1.88 -0.05 0.00 -2.02 0.00 0.00 58.31 54.36 1tqc n LYS 43 Cb 0.00 -1.13 0.02 0.00 -0.02 0.00 0.00 35.03 33.90 1tqc n LYS 43 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1tqc n GLY 44 N -2.53 1.17 3.72 0.72 0.00 -1.26 -4.70 105.19 102.30 1tqc n GLY 44 Ca 0.15 -2.04 -0.41 0.00 0.00 0.00 0.00 46.02 43.72 1tqc n GLY 44 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1tqc s PHE 45 N -0.26 3.71 -0.15 1.61 2.99 -1.26 -4.37 117.98 120.25 1tqc s PHE 45 Ca 0.14 1.70 0.01 0.00 0.00 0.00 0.00 56.93 58.78 1tqc s PHE 45 Cb -0.01 -3.13 0.02 0.00 0.00 0.00 0.00 43.02 39.90 1tqc s PHE 45 CO 0.09 -0.08 -0.15 -2.00 -0.00 0.00 0.00 175.22 173.08 1tqc s GLU 46 N 0.35 2.41 -0.21 0.44 2.12 0.40 -4.95 118.70 119.26 1tqc s GLU 46 Ca 0.50 -0.60 -0.29 0.00 0.36 0.00 0.00 54.97 54.93 1tqc s GLU 46 Cb -0.24 -2.17 -0.00 0.00 0.26 0.00 0.00 34.13 31.98 1tqc s GLU 46 CO 0.30 -0.22 1.18 -0.46 -0.54 0.00 0.00 175.26 175.52 1tqc s TRP 47 N 1.42 3.02 0.03 5.30 -0.00 -1.26 0.98 118.94 128.43 1tqc s TRP 47 Ca 0.04 1.16 0.10 0.00 -0.00 0.00 0.00 56.10 57.40 1tqc s TRP 47 Cb -0.13 -3.47 -0.21 0.00 -0.00 0.00 0.00 33.47 29.66 1tqc s TRP 47 CO -0.10 -1.24 1.00 0.52 -0.00 0.00 0.00 176.95 177.12 1tqc h MET 48 N 8.03 0.00 0.00 5.86 2.86 -0.99 -3.44 114.93 127.25 1tqc h MET 48 Ca -0.24 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.40 1tqc h MET 48 Cb 1.09 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.75 1tqc h MET 48 CO 0.98 0.74 0.00 0.41 1.06 0.00 0.00 176.91 180.11 1tqc n GLY 49 N 1.44 0.48 3.47 8.32 0.00 -1.22 -0.75 105.19 116.93 1tqc n GLY 49 Ca -0.08 -1.65 -0.15 0.00 0.00 0.00 0.00 46.02 44.14 1tqc n GLY 49 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1tqc s TRP 50 N -2.89 1.11 -0.05 1.61 1.48 -0.50 -1.03 118.94 118.68 1tqc s TRP 50 Ca 0.00 -1.31 0.01 0.00 -1.06 0.00 0.00 56.10 53.74 1tqc s TRP 50 Cb 0.00 -0.15 0.02 0.00 -1.16 0.00 0.00 33.47 32.18 1tqc s TRP 50 CO 0.00 -1.10 -0.06 0.42 -4.06 0.00 0.00 176.95 172.16 1tqc s ILE 51 N -3.15 0.63 -0.67 0.66 1.01 0.14 -1.44 121.20 118.37 1tqc s ILE 51 Ca 0.31 -0.18 -0.25 0.00 0.00 0.00 0.00 60.65 60.53 1tqc s ILE 51 Cb 0.00 -0.63 0.05 0.00 0.01 0.00 0.00 42.46 41.89 1tqc s ILE 51 CO 0.20 0.24 1.09 0.21 0.00 0.00 0.00 174.94 176.69 1tqc s ASN 52 N 0.82 6.20 0.00 3.58 3.84 -0.99 -1.49 114.94 126.91 1tqc s ASN 52 Ca -0.12 -0.66 0.09 0.00 0.21 0.00 0.00 52.86 52.38 1tqc s ASN 52 Cb -0.14 -2.48 0.43 0.00 -0.55 0.00 0.00 41.25 38.51 1tqc s ASN 52 CO 0.01 -1.57 1.14 0.35 -2.79 0.00 0.00 177.10 174.24 1tqc n THR 52 N 6.17 0.80 -0.11 -5.21 -2.24 -1.26 0.11 114.28 112.53 1tqc n THR 52 Ca 0.00 0.20 -0.22 0.00 -2.27 0.00 0.00 64.05 61.77 1tqc n THR 52 Cb 0.47 -1.06 -0.10 0.00 -2.10 0.00 0.00 70.33 67.55 1tqc n THR 52 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1tqc n PHE 53 N -1.28 0.67 0.04 4.78 -0.00 -1.26 -4.52 117.46 115.89 1tqc n PHE 53 Ca 0.04 0.29 -0.10 0.00 -0.00 0.00 0.00 57.45 57.68 1tqc n PHE 53 Cb 0.07 -1.01 -0.13 0.00 -0.00 0.00 0.00 39.48 38.41 1tqc n PHE 53 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.76 177.91 1tqc h THR 54 N -1.00 1.35 0.00 -2.13 2.02 -1.92 -3.48 112.91 107.76 1tqc h THR 54 Ca -0.39 -3.08 0.00 0.00 0.77 0.00 0.00 66.41 63.70 1tqc h THR 54 Cb 1.29 2.72 0.00 0.00 -1.74 0.00 0.00 68.15 70.42 1tqc h THR 54 CO -0.24 0.81 0.00 0.61 0.37 0.00 0.00 175.52 177.07 1tqc n GLY 55 N 1.48 1.54 3.68 2.16 0.00 0.29 -5.02 105.19 109.32 1tqc n GLY 55 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 1tqc n GLY 55 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1tqc s GLU 56 N -0.34 4.30 0.30 1.61 2.12 -1.25 -4.77 118.70 120.67 1tqc s GLU 56 Ca 0.00 1.75 -0.01 0.00 0.36 0.00 0.00 54.97 57.08 1tqc s GLU 56 Cb 0.00 -3.64 -0.04 0.00 0.26 0.00 0.00 34.13 30.71 1tqc s GLU 56 CO 0.00 -0.57 0.51 -1.25 -0.54 0.00 0.00 175.26 173.41 1tqc s PRO 57 N 2.70 3.52 -0.07 4.30 0.04 -1.26 -2.34 135.00 141.89 1tqc s PRO 57 Ca 0.58 -0.29 -0.01 0.00 0.04 0.00 0.00 61.00 61.32 1tqc s PRO 57 Cb -0.26 -2.71 0.03 0.00 0.04 0.00 0.00 34.50 31.60 1tqc s PRO 57 CO 0.21 0.23 -0.02 0.99 0.04 0.00 0.00 177.00 178.46 1tqc s THR 58 N -2.16 0.49 -0.13 1.26 2.01 -0.52 -5.01 115.64 111.58 1tqc s THR 58 Ca 0.40 0.03 -0.07 0.00 0.31 0.00 0.00 61.69 62.36 1tqc s THR 58 Cb -0.10 -0.61 -0.04 0.00 0.01 0.00 0.00 72.50 71.76 1tqc s THR 58 CO 0.33 0.27 0.12 -0.31 -0.69 0.00 0.00 174.62 174.34 1tqc s TYR 59 N 1.81 3.50 0.87 4.92 1.51 -1.26 -1.40 117.35 127.29 1tqc s TYR 59 Ca 0.03 0.43 -0.11 0.00 -1.01 0.00 0.00 57.07 56.41 1tqc s TYR 59 Cb -0.13 -1.97 0.12 0.00 -0.11 0.00 0.00 41.96 39.87 1tqc s TYR 59 CO -0.05 0.59 1.09 0.00 -1.11 0.00 0.00 175.55 176.08 1tqc s ALA 60 N -0.68 1.66 0.33 3.71 0.00 0.07 -4.65 121.76 122.20 1tqc s ALA 60 Ca 0.13 0.10 0.12 0.00 0.00 0.00 0.00 51.96 52.31 1tqc s ALA 60 Cb -0.12 -3.24 1.02 0.00 0.00 0.00 0.00 23.12 20.78 1tqc s ALA 60 CO 0.03 -2.29 1.66 -0.44 0.00 0.00 0.00 175.76 174.71 1tqc h ASP 61 N -1.50 0.41 1.02 0.00 3.32 -1.94 -0.29 116.42 117.43 1tqc h ASP 61 Ca -0.48 0.19 0.00 0.00 0.02 0.00 0.00 57.03 56.77 1tqc h ASP 61 Cb 1.27 0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.99 1tqc h ASP 61 CO 0.52 -0.15 0.00 0.47 -1.72 0.00 0.00 179.24 178.36 1tqc n ASP 62 N -5.09 0.29 -0.07 6.45 8.00 -1.26 -3.60 116.55 121.27 1tqc n ASP 62 Ca 0.30 0.54 0.03 0.00 0.71 0.00 0.00 54.79 56.37 1tqc n ASP 62 Cb 0.93 -0.61 0.05 0.00 -0.02 0.00 0.00 41.12 41.47 1tqc n ASP 62 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1tqc n PHE 63 N -1.79 0.05 0.17 1.24 3.01 -0.15 -4.59 117.46 115.41 1tqc n PHE 63 Ca 0.06 -0.64 -0.08 0.00 1.01 0.00 0.00 57.45 57.80 1tqc n PHE 63 Cb 0.32 -0.08 0.08 0.00 -0.01 0.00 0.00 39.48 39.79 1tqc n PHE 63 CO 0.00 0.00 0.00 0.36 1.01 0.00 0.00 176.76 178.13 1tqc n LYS 64 N -0.70 1.59 0.02 -1.08 2.85 -1.02 -3.71 118.16 116.10 1tqc n LYS 64 Ca 0.05 -1.14 0.00 0.00 -1.05 0.00 0.00 58.31 56.17 1tqc n LYS 64 Cb 0.38 -1.48 0.00 0.00 -0.65 0.00 0.00 35.03 33.27 1tqc n LYS 64 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1tqc n GLY 65 N -0.08 -0.02 0.07 2.58 0.00 -1.26 -4.93 105.19 101.55 1tqc n GLY 65 Ca 0.21 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.26 1tqc n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tqc n ARG 66 N -3.09 1.76 -4.78 1.61 1.74 -1.26 -5.05 116.66 107.58 1tqc n ARG 66 Ca 0.00 -1.61 -0.33 0.00 -0.77 0.00 0.00 57.85 55.14 1tqc n ARG 66 Cb 0.32 -1.02 -0.13 0.00 -1.02 0.00 0.00 32.46 30.62 1tqc n ARG 66 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1tqc s PHE 67 N -1.30 2.80 -0.08 -1.55 0.40 -1.24 -4.50 117.98 112.50 1tqc s PHE 67 Ca 0.09 -0.20 0.03 0.00 -0.60 0.00 0.00 56.93 56.25 1tqc s PHE 67 Cb 0.08 -1.70 0.01 0.00 0.51 0.00 0.00 43.02 41.92 1tqc s PHE 67 CO 0.01 0.14 -0.16 0.08 0.70 0.00 0.00 175.22 175.99 1tqc s VAL 68 N -0.51 1.46 -0.14 -0.44 1.01 -0.24 -4.91 120.40 116.64 1tqc s VAL 68 Ca 0.07 -0.66 -0.02 0.00 0.00 0.00 0.00 61.98 61.38 1tqc s VAL 68 Cb -0.12 -1.31 -0.02 0.00 0.00 0.00 0.00 36.38 34.93 1tqc s VAL 68 CO 0.02 0.43 -0.09 -0.36 0.00 0.00 0.00 175.10 175.09 1tqc s PHE 69 N 0.66 2.89 0.24 5.22 0.08 -1.26 -0.81 117.98 125.00 1tqc s PHE 69 Ca -0.14 -0.53 -0.06 0.00 0.12 0.00 0.00 56.93 56.32 1tqc s PHE 69 Cb -0.16 -1.90 -0.02 0.00 -0.57 0.00 0.00 43.02 40.37 1tqc s PHE 69 CO 0.04 -0.16 0.32 -1.54 -0.10 0.00 0.00 175.22 173.78 1tqc s SER 70 N 0.40 0.16 0.38 1.36 1.04 -0.38 -4.70 113.70 111.95 1tqc s SER 70 Ca -0.08 -1.20 0.03 0.00 0.48 0.00 0.00 55.95 55.18 1tqc s SER 70 Cb -0.15 0.50 -0.01 0.00 0.10 0.00 0.00 66.02 66.46 1tqc s SER 70 CO 0.04 -1.02 0.11 0.18 0.98 0.00 0.00 173.24 173.53 1tqc n LEU 71 N -0.36 0.00 -2.85 2.42 4.77 -1.26 0.30 117.00 120.02 1tqc n LEU 71 Ca 0.00 -2.76 -0.08 0.00 -0.03 0.00 0.00 56.01 53.14 1tqc n LEU 71 Cb 0.64 0.80 0.00 0.00 -2.33 0.00 0.00 43.42 42.53 1tqc n LEU 71 CO 0.28 -0.42 0.07 -0.67 -1.33 0.00 0.00 177.39 175.32 1tqc n ASP 72 N -1.53 -2.89 -0.37 -1.43 4.64 -0.44 -4.90 116.55 109.64 1tqc n ASP 72 Ca -0.08 -2.92 -0.06 0.00 -1.38 0.00 0.00 54.79 50.35 1tqc n ASP 72 Cb 0.54 1.42 -0.03 0.00 -1.04 0.00 0.00 41.12 42.01 1tqc n ASP 72 CO 0.00 0.00 0.00 0.74 -0.82 0.00 0.00 177.20 177.12 1tqc h THR 73 N 4.48 0.01 -0.98 5.18 2.02 -1.95 -1.18 112.91 120.50 1tqc h THR 73 Ca 0.05 0.00 0.33 0.00 0.77 0.00 0.00 66.41 67.56 1tqc h THR 73 Cb 1.06 0.01 -0.17 0.00 -1.74 0.00 0.00 68.15 67.32 1tqc h THR 73 CO 0.13 0.00 0.36 0.28 0.37 0.00 0.00 175.52 176.66 1tqc h SER 74 N -0.04 0.10 -0.32 4.18 0.02 -1.97 0.11 113.55 115.63 1tqc h SER 74 Ca 0.24 0.24 0.00 0.00 -0.84 0.00 0.00 61.79 61.43 1tqc h SER 74 Cb 0.52 0.30 0.00 0.00 0.14 0.00 0.00 62.40 63.36 1tqc h SER 74 CO -0.92 -0.31 0.00 0.00 -1.14 0.00 0.00 176.83 174.46 1tqc n ALA 75 N -2.57 2.45 -3.80 3.77 0.00 -0.48 -4.95 120.51 114.94 1tqc n ALA 75 Ca 0.30 -0.83 -0.23 0.00 0.00 0.00 0.00 53.44 52.68 1tqc n ALA 75 Cb 0.99 -0.95 0.01 0.00 0.00 0.00 0.00 19.45 19.51 1tqc n ALA 75 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1tqc n SER 76 N 1.10 -1.00 -3.99 0.00 7.64 0.38 -4.67 113.62 113.08 1tqc n SER 76 Ca 0.18 -0.89 -0.24 0.00 1.01 0.00 0.00 58.87 58.93 1tqc n SER 76 Cb 0.51 -3.69 -0.17 0.00 -1.01 0.00 0.00 64.21 59.85 1tqc n SER 76 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1tqc s THR 77 N -3.76 1.04 0.08 0.44 2.01 -1.17 -0.87 115.64 113.41 1tqc s THR 77 Ca 0.03 -0.40 0.04 0.00 0.31 0.00 0.00 61.69 61.68 1tqc s THR 77 Cb -0.02 -0.97 -0.04 0.00 0.01 0.00 0.00 72.50 71.48 1tqc s THR 77 CO 0.84 0.34 0.00 0.00 -0.69 0.00 0.00 174.62 175.11 1tqc s ALA 78 N 0.87 3.30 -0.03 7.40 0.00 -0.81 -1.33 121.76 131.16 1tqc s ALA 78 Ca -0.11 -1.09 0.05 0.00 0.00 0.00 0.00 51.96 50.80 1tqc s ALA 78 Cb -0.15 -1.22 -0.01 0.00 0.00 0.00 0.00 23.12 21.75 1tqc s ALA 78 CO 0.01 0.70 -0.17 0.71 0.00 0.00 0.00 175.76 177.01 1tqc s TYR 79 N -1.28 1.57 -0.24 0.00 2.02 0.15 -1.68 117.35 117.89 1tqc s TYR 79 Ca 0.25 -0.38 -0.00 0.00 -0.37 0.00 0.00 57.07 56.57 1tqc s TYR 79 Cb -0.12 -1.04 0.03 0.00 -0.40 0.00 0.00 41.96 40.44 1tqc s TYR 79 CO 0.17 -0.10 -0.09 -1.17 -1.57 0.00 0.00 175.55 172.80 1tqc s LEU 80 N -0.15 3.13 -0.13 -1.29 2.96 0.18 -1.25 118.68 122.12 1tqc s LEU 80 Ca 0.01 -0.99 -0.02 0.00 -0.22 0.00 0.00 54.13 52.91 1tqc s LEU 80 Cb -0.09 -1.61 -0.03 0.00 0.50 0.00 0.00 46.19 44.96 1tqc s LEU 80 CO 0.01 -0.13 -0.05 -1.58 -1.32 0.00 0.00 176.35 173.27 1tqc s GLN 81 N 1.26 3.36 0.47 1.98 0.74 0.01 -0.53 119.66 126.95 1tqc s GLN 81 Ca -0.02 -0.54 0.05 0.00 0.05 0.00 0.00 55.36 54.90 1tqc s GLN 81 Cb -0.17 -2.79 -0.03 0.00 1.10 0.00 0.00 33.01 31.12 1tqc s GLN 81 CO -0.06 0.37 0.10 0.42 -0.55 0.00 0.00 175.29 175.57 1tqc s ILE 82 N -0.01 1.69 0.00 -2.34 1.01 -0.29 -1.07 121.20 120.18 1tqc s ILE 82 Ca 0.00 -1.87 0.00 0.00 0.00 0.00 0.00 60.65 58.78 1tqc s ILE 82 Cb -0.13 -2.55 0.00 0.00 0.01 0.00 0.00 42.46 39.78 1tqc s ILE 82 CO 0.03 0.00 0.00 0.59 0.00 0.00 0.00 174.94 175.56 1tqc n ASN 82 N -1.25 0.00 -4.44 3.58 3.02 -1.21 -1.91 115.26 113.05 1tqc n ASN 82 Ca -0.09 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.05 1tqc n ASN 82 Cb 0.66 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.84 1tqc n ASN 82 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1tqc n LEU 82 N -0.67 -0.28 -4.08 3.41 4.77 -0.28 -4.45 117.00 115.42 1tqc n LEU 82 Ca 0.00 0.87 -0.11 0.00 -0.03 0.00 0.00 56.01 56.74 1tqc n LEU 82 Cb 0.00 -1.09 -0.11 0.00 -2.33 0.00 0.00 43.42 39.89 1tqc n LEU 82 CO 0.00 -3.08 -0.39 -0.54 -1.33 0.00 0.00 177.39 172.06 1tqc s LYS 83 N -1.57 0.59 0.53 3.23 1.02 -1.26 -0.66 119.74 121.61 1tqc s LYS 83 Ca 0.63 -0.94 0.32 0.00 0.02 0.00 0.00 55.97 56.00 1tqc s LYS 83 Cb -0.58 -0.16 1.46 0.00 -0.52 0.00 0.00 37.83 38.04 1tqc s LYS 83 CO 0.58 0.00 1.86 -0.91 -0.92 0.00 0.00 175.35 175.96 1tqc h ASN 84 N 3.96 0.05 0.52 2.83 2.35 -1.96 0.77 115.58 124.10 1tqc h ASN 84 Ca -0.35 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.40 1tqc h ASN 84 Cb 1.19 -0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.56 1tqc h ASN 84 CO 0.50 0.01 -0.02 -0.08 -1.65 0.00 0.00 177.43 176.20 1tqc h GLU 85 N 0.04 0.00 0.00 0.81 4.57 -1.95 -2.13 114.58 115.92 1tqc h GLU 85 Ca 0.48 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.66 1tqc h GLU 85 Cb 1.83 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.42 1tqc h GLU 85 CO -0.03 0.02 0.00 -0.44 -1.18 0.00 0.00 179.01 177.37 1tqc h ASP 86 N 0.00 0.00 -2.33 1.04 3.45 0.19 -3.44 116.42 115.32 1tqc h ASP 86 Ca -0.00 0.00 -0.53 0.00 0.43 0.00 0.00 57.03 56.92 1tqc h ASP 86 Cb 0.28 0.00 0.02 0.00 -0.56 0.00 0.00 39.33 39.07 1tqc h ASP 86 CO 0.00 0.00 1.26 0.41 -1.57 0.00 0.00 179.24 179.34 1tqc n THR 87 N -2.35 0.75 -1.76 0.35 -1.04 -0.80 -4.86 114.28 104.57 1tqc n THR 87 Ca 0.03 -0.17 0.00 0.00 -2.04 0.00 0.00 64.05 61.88 1tqc n THR 87 Cb 0.31 -2.35 0.00 0.00 -1.82 0.00 0.00 70.33 66.47 1tqc n THR 87 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1tqc n ALA 88 N 7.88 0.00 -3.64 2.41 0.00 -0.80 -4.38 120.51 121.99 1tqc n ALA 88 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.31 1tqc n ALA 88 Cb 0.41 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.72 1tqc n ALA 88 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1tqc s THR 89 N -2.55 2.88 -0.06 0.00 2.01 -0.07 -1.01 115.64 116.84 1tqc s THR 89 Ca 0.00 -0.67 -0.06 0.00 0.31 0.00 0.00 61.69 61.27 1tqc s THR 89 Cb 0.00 -2.27 -0.04 0.00 0.01 0.00 0.00 72.50 70.20 1tqc s THR 89 CO 0.00 0.48 0.18 -0.31 -0.69 0.00 0.00 174.62 174.28 1tqc s TYR 90 N 1.24 3.58 0.19 4.92 1.51 0.94 -2.34 117.35 127.40 1tqc s TYR 90 Ca 0.03 0.49 0.09 0.00 -1.01 0.00 0.00 57.07 56.67 1tqc s TYR 90 Cb -0.14 -1.92 -0.04 0.00 -0.11 0.00 0.00 41.96 39.75 1tqc s TYR 90 CO -0.05 0.69 -0.18 -0.06 -1.11 0.00 0.00 175.55 174.84 1tqc s PHE 91 N -1.17 1.89 0.08 2.71 0.40 -0.03 -1.25 117.98 120.60 1tqc s PHE 91 Ca 0.21 -0.47 0.09 0.00 -0.60 0.00 0.00 56.93 56.17 1tqc s PHE 91 Cb -0.13 -0.91 -0.03 0.00 0.51 0.00 0.00 43.02 42.46 1tqc s PHE 91 CO 0.11 0.40 -0.25 -0.06 0.70 0.00 0.00 175.22 176.12 1tqc s PHE 92 N -2.28 2.37 0.03 0.36 0.40 -1.26 -1.74 117.98 115.86 1tqc s PHE 92 Ca 0.19 -0.37 0.02 0.00 -0.60 0.00 0.00 56.93 56.18 1tqc s PHE 92 Cb -0.05 -1.36 -0.02 0.00 0.51 0.00 0.00 43.02 42.11 1tqc s PHE 92 CO 0.08 0.23 -0.07 0.95 0.70 0.00 0.00 175.22 177.11 1tqc s THR 93 N -0.93 0.49 -0.29 0.64 -4.23 -0.67 -2.05 115.64 108.60 1tqc s THR 93 Ca 0.13 -0.81 -0.20 0.00 -1.18 0.00 0.00 61.69 59.63 1tqc s THR 93 Cb -0.10 -0.52 -0.01 0.00 1.34 0.00 0.00 72.50 73.21 1tqc s THR 93 CO 0.04 -0.23 0.63 -0.60 -0.54 0.00 0.00 174.62 173.92 1tqc s ARG 94 N -1.12 3.96 3.02 3.99 3.52 0.88 -2.15 118.95 131.05 1tqc s ARG 94 Ca -0.06 0.36 0.00 0.00 -0.13 0.00 0.00 55.73 55.90 1tqc s ARG 94 Cb -0.07 -3.71 0.00 0.00 -1.56 0.00 0.00 34.95 29.61 1tqc s ARG 94 CO 0.00 -0.53 0.00 0.41 -0.81 0.00 0.00 175.30 174.37 1tqc n GLY 95 N 4.36 2.96 0.17 8.12 0.00 0.66 -2.55 105.19 118.91 1tqc n GLY 95 Ca -0.01 0.02 0.02 0.00 0.00 0.00 0.00 46.02 46.04 1tqc n GLY 95 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1tqc n THR 96 N 0.00 0.92 -0.04 2.61 5.66 -1.26 -4.50 114.28 117.66 1tqc n THR 96 Ca 0.00 -0.96 -0.04 0.00 -3.05 0.00 0.00 64.05 60.00 1tqc n THR 96 Cb 0.00 0.55 -0.08 0.00 -1.55 0.00 0.00 70.33 69.25 1tqc n THR 96 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1tqc n ASP 101 N -0.19 2.55 -4.26 1.09 3.85 -1.06 -5.04 116.55 113.51 1tqc n ASP 101 Ca 0.03 0.00 -0.31 0.00 -0.71 0.00 0.00 54.79 53.81 1tqc n ASP 101 Cb 0.28 0.83 -0.16 0.00 -1.35 0.00 0.00 41.12 40.71 1tqc n ASP 101 CO 0.00 0.00 0.00 -0.31 -1.01 0.00 0.00 177.20 175.88 1tqc s TYR 102 N -2.30 2.30 0.31 2.11 1.51 -1.15 -4.99 117.35 115.15 1tqc s TYR 102 Ca -0.05 -0.62 0.10 0.00 -1.01 0.00 0.00 57.07 55.49 1tqc s TYR 102 Cb 0.03 -1.51 -0.05 0.00 -0.11 0.00 0.00 41.96 40.33 1tqc s TYR 102 CO 0.41 -0.17 -0.04 -1.58 -1.11 0.00 0.00 175.55 173.06 1tqc s TRP 103 N -0.25 2.53 0.56 2.71 0.52 -1.26 -0.08 118.94 123.66 1tqc s TRP 103 Ca -0.00 -0.36 -0.01 0.00 0.02 0.00 0.00 56.10 55.75 1tqc s TRP 103 Cb -0.12 -1.30 0.02 0.00 -1.15 0.00 0.00 33.47 30.92 1tqc s TRP 103 CO 0.02 0.57 0.81 0.20 0.02 0.00 0.00 176.95 178.57 1tqc s GLY 104 N -3.66 1.70 0.00 0.98 0.00 -0.87 -4.56 107.32 100.91 1tqc s GLY 104 Ca 0.33 -1.09 0.08 0.00 0.00 0.00 0.00 44.72 44.04 1tqc s GLY 104 CO 0.18 -0.81 1.09 0.61 0.00 0.00 0.00 173.10 174.18 1tqc n GLN 105 N -2.41 0.14 0.00 2.90 0.00 -1.25 -4.83 117.38 111.92 1tqc n GLN 105 Ca 0.06 0.18 0.00 0.00 0.00 0.00 0.00 57.00 57.24 1tqc n GLN 105 Cb 0.59 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.33 1tqc n GLN 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1tqc n GLY 106 N -0.59 0.33 3.00 2.61 0.00 -1.26 -5.03 105.19 104.25 1tqc n GLY 106 Ca 0.04 -1.82 -0.13 0.00 0.00 0.00 0.00 46.02 44.11 1tqc n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1tqc s THR 107 N -2.21 -0.42 -0.31 2.61 2.01 -0.38 -4.77 115.64 112.16 1tqc s THR 107 Ca 0.00 0.26 -0.19 0.00 0.31 0.00 0.00 61.69 62.07 1tqc s THR 107 Cb 0.00 -0.46 -0.01 0.00 0.01 0.00 0.00 72.50 72.04 1tqc s THR 107 CO 0.00 0.10 0.58 -0.89 -0.69 0.00 0.00 174.62 173.72 1tqc s THR 108 N 2.42 4.98 -0.10 -0.82 2.01 -1.26 -0.04 115.64 122.83 1tqc s THR 108 Ca 0.02 0.75 -0.00 0.00 0.31 0.00 0.00 61.69 62.76 1tqc s THR 108 Cb -0.12 -3.96 -0.03 0.00 0.01 0.00 0.00 72.50 68.41 1tqc s THR 108 CO -0.09 -0.11 -0.08 -0.22 -0.69 0.00 0.00 174.62 173.43 1tqc s LEU 109 N 2.50 3.03 -0.05 4.42 2.96 -0.18 -0.45 118.68 130.92 1tqc s LEU 109 Ca 0.23 -0.14 0.03 0.00 -0.22 0.00 0.00 54.13 54.03 1tqc s LEU 109 Cb -0.15 -1.68 0.00 0.00 0.50 0.00 0.00 46.19 44.86 1tqc s LEU 109 CO 0.12 0.26 -0.15 -0.89 -1.32 0.00 0.00 176.35 174.37 1tqc s THR 110 N -0.22 1.32 -0.17 3.68 2.01 0.77 -1.90 115.64 121.13 1tqc s THR 110 Ca 0.02 -0.63 0.00 0.00 0.31 0.00 0.00 61.69 61.40 1tqc s THR 110 Cb -0.13 -1.16 0.04 0.00 0.01 0.00 0.00 72.50 71.25 1tqc s THR 110 CO 0.03 0.39 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.56 1tqc s VAL 111 N 0.28 1.44 -0.22 3.82 1.01 -1.26 -0.08 120.40 125.40 1tqc s VAL 111 Ca -0.08 -0.77 -0.29 0.00 0.00 0.00 0.00 61.98 60.84 1tqc s VAL 111 Cb -0.13 -1.50 0.14 0.00 0.00 0.00 0.00 36.38 34.89 1tqc s VAL 111 CO 0.03 0.25 1.11 -0.94 0.00 0.00 0.00 175.10 175.55 1tqc s SER 112 N 1.50 -0.29 0.00 3.32 1.04 -1.02 -4.50 113.70 113.75 1tqc s SER 112 Ca 0.01 0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.84 1tqc s SER 112 Cb -0.15 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.31 1tqc s SER 112 CO -0.09 -0.22 0.72 -1.54 0.98 0.00 0.00 173.24 173.09 1tqc n SER 113 N 1.04 0.09 -4.76 7.02 3.41 -1.26 -4.55 113.62 114.60 1tqc n SER 113 Ca -0.09 -1.53 -0.39 0.00 -0.26 0.00 0.00 58.87 56.60 1tqc n SER 113 Cb 0.58 -0.04 -0.06 0.00 -0.26 0.00 0.00 64.21 64.42 1tqc n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1tqc s ALA 114 N -1.89 3.37 0.32 7.33 0.00 -1.26 -5.04 121.76 124.59 1tqc s ALA 114 Ca 0.00 0.52 -0.11 0.00 0.00 0.00 0.00 51.96 52.37 1tqc s ALA 114 Cb 0.00 -3.12 -0.07 0.00 0.00 0.00 0.00 23.12 19.93 1tqc s ALA 114 CO 0.00 0.24 0.68 0.21 0.00 0.00 0.00 175.76 176.88 1tqc s LYS 115 N -1.25 3.86 0.62 0.00 2.20 -1.26 -5.03 119.74 118.87 1tqc s LYS 115 Ca 0.40 0.45 -0.18 0.00 -0.36 0.00 0.00 55.97 56.28 1tqc s LYS 115 Cb -0.24 -2.50 -0.03 0.00 -1.51 0.00 0.00 37.83 33.54 1tqc s LYS 115 CO 0.29 0.15 1.09 -2.37 -0.36 0.00 0.00 175.35 174.16 1tqc n THR 116 N -0.60 4.15 -3.55 3.43 5.66 -1.26 -4.88 114.28 117.22 1tqc n THR 116 Ca 0.02 -0.50 -0.19 0.00 -3.05 0.00 0.00 64.05 60.33 1tqc n THR 116 Cb 0.53 -1.29 -0.14 0.00 -1.55 0.00 0.00 70.33 67.88 1tqc n THR 116 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1tqc s THR 117 N -1.46 -0.27 0.84 1.09 2.01 0.44 -4.96 115.64 113.33 1tqc s THR 117 Ca 0.78 -0.01 -0.12 0.00 0.31 0.00 0.00 61.69 62.65 1tqc s THR 117 Cb -0.40 -0.57 0.10 0.00 0.01 0.00 0.00 72.50 71.63 1tqc s THR 117 CO 0.45 -0.13 1.16 0.00 -0.69 0.00 0.00 174.62 175.40 1tqc s ALA 118 N 2.29 1.78 0.04 7.40 0.00 -1.26 -1.36 121.76 130.65 1tqc s ALA 118 Ca 0.05 0.65 -0.05 0.00 0.00 0.00 0.00 51.96 52.61 1tqc s ALA 118 Cb -0.15 -3.44 -0.05 0.00 0.00 0.00 0.00 23.12 19.49 1tqc s ALA 118 CO -0.10 -2.35 0.28 -1.25 0.00 0.00 0.00 175.76 172.33 1tqc s PRO 119 N -4.44 3.57 -0.34 0.00 0.04 -1.26 -4.35 135.00 128.22 1tqc s PRO 119 Ca 0.69 -0.12 -0.19 0.00 0.04 0.00 0.00 61.00 61.42 1tqc s PRO 119 Cb -0.24 -3.04 -0.00 0.00 0.04 0.00 0.00 34.50 31.26 1tqc s PRO 119 CO 0.54 0.61 0.55 -1.12 0.04 0.00 0.00 177.00 177.62 1tqc s SER 120 N -1.92 6.36 -0.25 6.66 0.01 -0.72 -4.89 113.70 118.96 1tqc s SER 120 Ca 0.31 0.09 -0.16 0.00 1.31 0.00 0.00 55.95 57.49 1tqc s SER 120 Cb -0.13 -2.29 -0.03 0.00 0.21 0.00 0.00 66.02 63.78 1tqc s SER 120 CO 0.19 -0.50 0.42 -0.69 0.41 0.00 0.00 173.24 173.08 1tqc s VAL 121 N 2.48 5.15 -0.09 3.43 1.01 -1.26 -2.37 120.40 128.76 1tqc s VAL 121 Ca 0.21 0.70 0.02 0.00 0.00 0.00 0.00 61.98 62.91 1tqc s VAL 121 Cb -0.15 -3.75 -0.02 0.00 0.00 0.00 0.00 36.38 32.47 1tqc s VAL 121 CO 0.13 0.17 -0.16 -0.31 0.00 0.00 0.00 175.10 174.93 1tqc s TYR 122 N 1.90 2.71 1.00 5.22 2.02 0.19 -4.96 117.35 125.42 1tqc s TYR 122 Ca 0.18 -0.52 -0.15 0.00 -0.37 0.00 0.00 57.07 56.21 1tqc s TYR 122 Cb -0.15 -1.73 0.19 0.00 -0.40 0.00 0.00 41.96 39.87 1tqc s TYR 122 CO 0.09 -0.09 1.18 -1.25 -1.57 0.00 0.00 175.55 173.91 1tqc s PRO 123 N -0.08 0.39 -0.16 -1.71 0.04 -1.26 0.03 135.00 132.25 1tqc s PRO 123 Ca -0.03 0.00 -0.05 0.00 0.04 0.00 0.00 61.00 60.97 1tqc s PRO 123 Cb -0.14 -1.78 0.08 0.00 0.04 0.00 0.00 34.50 32.70 1tqc s PRO 123 CO 0.04 -2.65 0.28 -0.51 0.04 0.00 0.00 177.00 174.19 1tqc s LEU 124 N -6.23 -0.32 0.10 -3.56 1.43 -1.18 -4.67 118.68 104.25 1tqc s LEU 124 Ca 0.68 0.43 0.08 0.00 -1.03 0.00 0.00 54.13 54.30 1tqc s LEU 124 Cb -0.10 0.72 -0.04 0.00 0.03 0.00 0.00 46.19 46.80 1tqc s LEU 124 CO 0.54 -0.26 -0.18 0.00 0.23 0.00 0.00 176.35 176.68 1tqc s ALA 125 N 2.43 2.67 0.31 4.21 0.00 -1.26 -1.87 121.76 128.25 1tqc s ALA 125 Ca 0.03 -1.31 0.00 0.00 0.00 0.00 0.00 51.96 50.69 1tqc s ALA 125 Cb -0.13 -0.68 0.00 0.00 0.00 0.00 0.00 23.12 22.31 1tqc s ALA 125 CO -0.10 0.59 0.00 -2.30 0.00 0.00 0.00 175.76 173.95 1tqc n PRO 126 N 0.99 1.41 0.00 0.00 -0.02 -1.26 -4.98 135.00 131.14 1tqc n PRO 126 Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.32 1tqc n PRO 126 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.01 1tqc n PRO 126 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 1tqc n VAL 127 N -1.50 0.00 0.00 -1.45 3.14 -1.26 -5.09 118.33 112.17 1tqc n VAL 127 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1tqc n VAL 127 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 1tqc n VAL 127 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1tqc n GLY 129 N 5.00 -1.29 1.86 0.00 0.00 -1.26 -4.90 105.19 104.60 1tqc n GLY 129 Ca 0.00 0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.35 1tqc n GLY 129 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1tqc n ASP 130 N 1.60 -0.00 -2.25 1.61 5.68 -1.26 -4.96 116.55 116.97 1tqc n ASP 130 Ca 0.15 0.17 -0.00 0.00 -0.50 0.00 0.00 54.79 54.60 1tqc n ASP 130 Cb 0.19 0.12 0.04 0.00 -1.14 0.00 0.00 41.12 40.33 1tqc n ASP 130 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1tqc n THR 131 N -2.86 0.53 0.86 2.12 -2.24 -1.26 -4.45 114.28 106.98 1tqc n THR 131 Ca 0.00 -1.69 0.12 0.00 -2.27 0.00 0.00 64.05 60.21 1tqc n THR 131 Cb 0.00 1.07 0.25 0.00 -2.10 0.00 0.00 70.33 69.54 1tqc n THR 131 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1tqc n THR 132 N -0.45 0.21 -0.61 4.28 -2.24 -1.26 -4.11 114.28 110.10 1tqc n THR 132 Ca -0.03 -0.53 0.00 0.00 -2.27 0.00 0.00 64.05 61.22 1tqc n THR 132 Cb 0.89 0.99 0.00 0.00 -2.10 0.00 0.00 70.33 70.11 1tqc n THR 132 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1tqc n GLY 133 N 1.35 0.96 4.10 3.38 0.00 -1.26 -5.03 105.19 108.68 1tqc n GLY 133 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1tqc n GLY 133 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1tqc n SER 134 N 0.00 0.00 -4.88 1.61 2.88 -1.26 -4.99 113.62 106.98 1tqc n SER 134 Ca 0.00 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.24 1tqc n SER 134 Cb 0.00 -0.07 -0.03 0.00 -0.75 0.00 0.00 64.21 63.36 1tqc n SER 134 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1tqc s SER 135 N -1.08 6.50 -0.03 -3.46 0.01 -1.26 0.16 113.70 114.53 1tqc s SER 135 Ca 0.00 1.11 0.02 0.00 1.31 0.00 0.00 55.95 58.39 1tqc s SER 135 Cb 0.00 -2.31 0.01 0.00 0.21 0.00 0.00 66.02 63.93 1tqc s SER 135 CO 0.00 -0.41 -0.08 0.54 0.41 0.00 0.00 173.24 173.70 1tqc s VAL 136 N -2.39 0.74 -0.20 3.43 0.11 0.67 -4.65 120.40 118.11 1tqc s VAL 136 Ca 0.51 -0.30 -0.01 0.00 -2.93 0.00 0.00 61.98 59.24 1tqc s VAL 136 Cb -0.10 -0.68 0.01 0.00 -1.53 0.00 0.00 36.38 34.07 1tqc s VAL 136 CO 0.32 0.25 -0.13 -0.89 -3.33 0.00 0.00 175.10 171.32 1tqc s THR 137 N 0.42 2.66 0.24 5.04 2.01 -1.26 -0.95 115.64 123.81 1tqc s THR 137 Ca -0.07 -0.73 0.07 0.00 0.31 0.00 0.00 61.69 61.27 1tqc s THR 137 Cb -0.11 -2.17 -0.04 0.00 0.01 0.00 0.00 72.50 70.20 1tqc s THR 137 CO 0.01 0.49 0.15 -0.76 -0.69 0.00 0.00 174.62 173.81 1tqc s LEU 138 N 1.37 3.69 0.00 4.42 1.43 -0.11 -4.51 118.68 124.96 1tqc s LEU 138 Ca 0.05 -0.31 0.00 0.00 -1.03 0.00 0.00 54.13 52.84 1tqc s LEU 138 Cb -0.14 -2.23 0.00 0.00 0.03 0.00 0.00 46.19 43.86 1tqc s LEU 138 CO -0.08 -0.02 0.00 0.61 0.23 0.00 0.00 176.35 177.09 1tqc n GLY 139 N -1.01 4.42 3.63 -3.19 0.00 -0.78 -1.17 105.19 107.08 1tqc n GLY 139 Ca -0.08 -1.69 -0.11 0.00 0.00 0.00 0.00 46.02 44.15 1tqc n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tqc s LEU 141 N 0.66 1.98 -0.34 0.00 2.96 0.11 -2.07 118.68 121.98 1tqc s LEU 141 Ca -0.02 -0.64 -0.05 0.00 -0.22 0.00 0.00 54.13 53.20 1tqc s LEU 141 Cb -0.05 -1.27 0.06 0.00 0.50 0.00 0.00 46.19 45.43 1tqc s LEU 141 CO -0.06 -0.07 0.10 -0.69 -1.32 0.00 0.00 176.35 174.31 1tqc s VAL 142 N 1.41 3.50 0.15 1.68 1.01 -0.50 0.53 120.40 128.18 1tqc s VAL 142 Ca 0.03 -1.36 0.04 0.00 0.00 0.00 0.00 61.98 60.70 1tqc s VAL 142 Cb -0.14 -3.06 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 1tqc s VAL 142 CO -0.10 -0.25 -0.09 -1.59 0.00 0.00 0.00 175.10 173.07 1tqc s LYS 143 N 1.32 1.08 -0.80 2.72 -2.85 -1.00 0.61 119.74 120.83 1tqc s LYS 143 Ca -0.01 -1.47 -0.05 0.00 -1.00 0.00 0.00 55.97 53.44 1tqc s LYS 143 Cb -0.20 -0.61 0.01 0.00 -2.06 0.00 0.00 37.83 34.96 1tqc s LYS 143 CO 0.01 0.05 0.65 0.41 0.10 0.00 0.00 175.35 176.57 1tqc n GLY 144 N -0.22 0.07 3.69 0.59 0.00 -1.12 -1.76 105.19 106.45 1tqc n GLY 144 Ca -0.10 -0.15 -0.24 0.00 0.00 0.00 0.00 46.02 45.54 1tqc n GLY 144 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1tqc s TYR 145 N -3.15 2.62 -0.28 1.61 1.13 -0.75 -4.53 117.35 113.99 1tqc s TYR 145 Ca 0.32 -0.43 -0.23 0.00 -1.41 0.00 0.00 57.07 55.33 1tqc s TYR 145 Cb -0.14 -1.61 0.13 0.00 -1.10 0.00 0.00 41.96 39.24 1tqc s TYR 145 CO 0.40 0.39 1.03 0.12 -2.51 0.00 0.00 175.55 174.98 1tqc s PHE 146 N -2.49 -0.49 0.00 -3.49 5.36 -0.46 0.48 117.98 116.89 1tqc s PHE 146 Ca 0.37 1.13 0.00 0.00 -0.96 0.00 0.00 56.93 57.46 1tqc s PHE 146 Cb -0.01 0.37 0.00 0.00 -0.34 0.00 0.00 43.02 43.04 1tqc s PHE 146 CO 0.21 -0.24 0.00 -0.35 -1.46 0.00 0.00 175.22 173.38 1tqc n PRO 147 N 2.61 1.25 -2.43 10.12 -0.04 -1.26 -0.42 135.00 144.83 1tqc n PRO 147 Ca -0.14 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 62.99 1tqc n PRO 147 Cb 0.56 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 34.00 1tqc n PRO 147 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1tqc s GLU 148 N -1.18 3.73 0.44 0.54 0.41 -1.26 -4.70 118.70 116.68 1tqc s GLU 148 Ca 0.00 1.27 0.06 0.00 -0.41 0.00 0.00 54.97 55.90 1tqc s GLU 148 Cb 0.00 -2.09 -0.04 0.00 -1.78 0.00 0.00 34.13 30.22 1tqc s GLU 148 CO 0.00 -0.48 0.18 -1.25 -0.49 0.00 0.00 175.26 173.22 1tqc s PRO 149 N -3.50 2.21 0.09 0.39 0.04 -1.26 -4.84 135.00 128.13 1tqc s PRO 149 Ca 0.65 -1.95 0.10 0.00 0.04 0.00 0.00 61.00 59.85 1tqc s PRO 149 Cb -0.15 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.43 1tqc s PRO 149 CO 0.24 -0.20 -0.26 0.54 0.04 0.00 0.00 177.00 177.36 1tqc s VAL 150 N -2.66 2.26 -0.13 -0.36 0.11 -1.26 -4.16 120.40 114.20 1tqc s VAL 150 Ca 0.36 -1.57 0.00 0.00 -2.93 0.00 0.00 61.98 57.84 1tqc s VAL 150 Cb 0.03 -1.95 -0.01 0.00 -1.53 0.00 0.00 36.38 32.92 1tqc s VAL 150 CO 0.20 0.22 -0.14 -0.89 -3.33 0.00 0.00 175.10 171.16 1tqc s THR 151 N -0.95 2.95 0.04 5.04 2.01 0.33 -4.94 115.64 120.12 1tqc s THR 151 Ca 0.13 -0.69 0.04 0.00 0.31 0.00 0.00 61.69 61.47 1tqc s THR 151 Cb -0.10 -2.23 -0.02 0.00 0.01 0.00 0.00 72.50 70.15 1tqc s THR 151 CO 0.04 0.52 -0.11 -0.22 -0.69 0.00 0.00 174.62 174.17 1tqc s LEU 152 N 0.41 2.19 0.24 4.42 0.20 -1.26 0.82 118.68 125.71 1tqc s LEU 152 Ca -0.11 -0.46 -0.13 0.00 0.69 0.00 0.00 54.13 54.12 1tqc s LEU 152 Cb -0.16 -0.39 -0.00 0.00 -0.43 0.00 0.00 46.19 45.20 1tqc s LEU 152 CO 0.05 -0.06 0.47 0.42 -0.29 0.00 0.00 176.35 176.95 1tqc s THR 154 N -0.99 0.00 -0.17 3.68 -4.23 0.73 -4.98 115.64 109.68 1tqc s THR 154 Ca -0.03 -1.40 -0.00 0.00 -1.18 0.00 0.00 61.69 59.08 1tqc s THR 154 Cb -0.08 -2.19 0.00 0.00 1.34 0.00 0.00 72.50 71.57 1tqc s THR 154 CO 0.01 -0.01 -0.15 0.26 -0.54 0.00 0.00 174.62 174.19 1tqc s TRP 155 N -4.02 2.80 -1.26 3.99 0.52 -1.26 0.45 118.94 120.17 1tqc s TRP 155 Ca 0.22 -1.22 -0.03 0.00 0.02 0.00 0.00 56.10 55.09 1tqc s TRP 155 Cb -0.01 -1.93 -0.01 0.00 -1.15 0.00 0.00 33.47 30.38 1tqc s TRP 155 CO 0.09 -0.59 0.74 0.09 0.02 0.00 0.00 176.95 177.29 1tqc n ASN 160 N 4.35 -2.25 -3.15 2.95 3.02 -0.11 -1.88 115.26 118.19 1tqc n ASN 160 Ca -0.20 -0.83 -0.19 0.00 -0.03 0.00 0.00 54.58 53.33 1tqc n ASN 160 Cb 0.51 -4.09 -0.01 0.00 -0.61 0.00 0.00 39.78 35.58 1tqc n ASN 160 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1tqc n SER 161 N -3.02 -3.11 0.00 6.41 7.64 -1.26 -1.69 113.62 118.59 1tqc n SER 161 Ca -0.25 -0.20 0.00 0.00 1.01 0.00 0.00 58.87 59.43 1tqc n SER 161 Cb 0.66 -2.63 0.00 0.00 -1.01 0.00 0.00 64.21 61.24 1tqc n SER 161 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1tqc n GLY 162 N -0.98 2.68 0.42 0.23 0.00 -0.79 -4.92 105.19 101.84 1tqc n GLY 162 Ca -0.02 -0.10 0.24 0.00 0.00 0.00 0.00 46.02 46.14 1tqc n GLY 162 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1tqc h SER 163 N 0.28 0.37 -3.27 1.61 4.64 -1.36 -3.30 113.55 112.52 1tqc h SER 163 Ca 0.00 0.07 -0.75 0.00 -0.47 0.00 0.00 61.79 60.64 1tqc h SER 163 Cb 0.00 0.01 -0.27 0.00 -0.31 0.00 0.00 62.40 61.83 1tqc h SER 163 CO 0.00 0.08 -0.26 -0.22 -0.87 0.00 0.00 176.83 175.56 1tqc s LEU 164 N -9.42 6.03 0.00 5.97 2.96 -1.02 -4.82 118.68 118.40 1tqc s LEU 164 Ca -0.08 -1.96 0.00 0.00 -0.22 0.00 0.00 54.13 51.87 1tqc s LEU 164 Cb 0.25 -2.12 0.00 0.00 0.50 0.00 0.00 46.19 44.81 1tqc s LEU 164 CO 0.80 -0.75 0.00 -1.54 -1.32 0.00 0.00 176.35 173.53 1tqc n SER 165 N 4.94 4.71 -4.76 3.68 3.41 -1.24 -4.11 113.62 120.24 1tqc n SER 165 Ca -0.08 0.00 -0.39 0.00 -0.26 0.00 0.00 58.87 58.13 1tqc n SER 165 Cb 0.41 0.88 -0.06 0.00 -0.26 0.00 0.00 64.21 65.18 1tqc n SER 165 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1tqc s SER 166 N -2.02 7.52 -1.10 4.04 0.15 -1.26 -3.90 113.70 117.13 1tqc s SER 166 Ca 0.00 1.82 -0.01 0.00 0.70 0.00 0.00 55.95 58.46 1tqc s SER 166 Cb 0.00 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 1tqc s SER 166 CO 0.00 0.15 0.14 0.61 1.20 0.00 0.00 173.24 175.34 1tqc n GLY 167 N 1.41 -0.16 3.52 9.45 0.00 -1.26 -4.82 105.19 113.34 1tqc n GLY 167 Ca -0.03 -0.27 -0.31 0.00 0.00 0.00 0.00 46.02 45.41 1tqc n GLY 167 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1tqc s VAL 169 N -2.77 3.16 -0.22 1.61 1.01 -1.25 -2.03 120.40 119.90 1tqc s VAL 169 Ca 0.07 -1.08 -0.02 0.00 0.00 0.00 0.00 61.98 60.95 1tqc s VAL 169 Cb -0.03 -2.37 0.07 0.00 0.00 0.00 0.00 36.38 34.04 1tqc s VAL 169 CO 0.09 0.31 0.03 -1.00 0.00 0.00 0.00 175.10 174.52 1tqc s HIS 170 N -1.00 1.38 -0.39 5.22 3.76 0.52 -4.98 115.29 119.81 1tqc s HIS 170 Ca 0.17 -1.15 -0.12 0.00 -0.15 0.00 0.00 55.06 53.81 1tqc s HIS 170 Cb -0.11 -1.22 0.03 0.00 1.11 0.00 0.00 32.58 32.39 1tqc s HIS 170 CO 0.07 -0.68 0.23 0.99 -0.85 0.00 0.00 174.74 174.51 1tqc s THR 171 N 1.74 4.69 0.29 1.30 2.01 -1.26 -0.22 115.64 124.19 1tqc s THR 171 Ca -0.01 -0.87 -0.23 0.00 0.31 0.00 0.00 61.69 60.89 1tqc s THR 171 Cb -0.17 -3.64 -0.09 0.00 0.01 0.00 0.00 72.50 68.60 1tqc s THR 171 CO -0.10 -0.28 0.86 -0.36 -0.69 0.00 0.00 174.62 174.06 1tqc s PHE 172 N 1.57 3.66 0.36 4.92 0.40 -0.82 -5.01 117.98 123.06 1tqc s PHE 172 Ca 0.02 1.63 -0.27 0.00 -0.60 0.00 0.00 56.93 57.71 1tqc s PHE 172 Cb -0.19 -2.80 -0.12 0.00 0.51 0.00 0.00 43.02 40.41 1tqc s PHE 172 CO 0.07 0.25 1.23 -2.30 0.70 0.00 0.00 175.22 175.16 1tqc n PRO 173 N 0.57 1.93 -1.57 0.24 -0.02 -1.26 -4.11 135.00 130.78 1tqc n PRO 173 Ca 0.01 0.68 -0.35 0.00 -2.02 0.00 0.00 63.50 61.81 1tqc n PRO 173 Cb 0.51 -2.26 0.08 0.00 -0.02 0.00 0.00 33.50 31.81 1tqc n PRO 173 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1tqc s ALA 174 N -1.13 2.22 0.16 3.55 0.00 -1.26 -4.79 121.76 120.51 1tqc s ALA 174 Ca 0.58 1.02 0.10 0.00 0.00 0.00 0.00 51.96 53.65 1tqc s ALA 174 Cb -0.57 -3.50 -0.04 0.00 0.00 0.00 0.00 23.12 19.01 1tqc s ALA 174 CO 0.61 -1.76 -0.22 0.08 0.00 0.00 0.00 175.76 174.47 1tqc s VAL 175 N -1.74 2.02 -0.19 0.00 1.01 0.41 -4.92 120.40 116.99 1tqc s VAL 175 Ca 0.78 -1.87 -0.13 0.00 0.00 0.00 0.00 61.98 60.76 1tqc s VAL 175 Cb -0.32 -1.90 -0.05 0.00 0.00 0.00 0.00 36.38 34.11 1tqc s VAL 175 CO 0.43 -0.16 0.24 -0.22 0.00 0.00 0.00 175.10 175.39 1tqc s LEU 176 N -2.47 4.20 0.00 3.92 0.20 -1.26 -1.12 118.68 122.15 1tqc s LEU 176 Ca 0.16 0.37 0.00 0.00 0.69 0.00 0.00 54.13 55.35 1tqc s LEU 176 Cb -0.08 -2.28 0.00 0.00 -0.43 0.00 0.00 46.19 43.41 1tqc s LEU 176 CO 0.07 0.09 0.00 0.00 -0.29 0.00 0.00 176.35 176.22 1tqc n GLN 177 N 3.79 3.46 -0.15 1.98 6.02 0.22 -4.96 117.38 127.75 1tqc n GLN 177 Ca -0.13 0.00 -0.04 0.00 -0.01 0.00 0.00 57.00 56.82 1tqc n GLN 177 Cb 0.52 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.74 1tqc n GLN 177 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1tqc n SER 178 N 0.00 -0.37 -1.52 1.08 3.41 -1.26 -3.89 113.62 111.07 1tqc n SER 178 Ca 0.00 1.08 -0.04 0.00 -0.26 0.00 0.00 58.87 59.65 1tqc n SER 178 Cb 0.00 -0.31 -0.01 0.00 -0.26 0.00 0.00 64.21 63.63 1tqc n SER 178 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1tqc n ASP 181 N -3.76 -0.61 -4.03 4.04 9.92 -1.26 -5.11 116.55 115.74 1tqc n ASP 181 Ca 0.01 -2.04 -0.15 0.00 -0.53 0.00 0.00 54.79 52.07 1tqc n ASP 181 Cb 0.09 0.23 -0.13 0.00 -0.64 0.00 0.00 41.12 40.67 1tqc n ASP 181 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1tqc s LEU 182 N -1.04 2.13 -0.07 0.64 1.43 -1.25 -4.79 118.68 115.73 1tqc s LEU 182 Ca 0.09 -0.33 -0.05 0.00 -1.03 0.00 0.00 54.13 52.81 1tqc s LEU 182 Cb 0.17 -0.27 -0.04 0.00 0.03 0.00 0.00 46.19 46.08 1tqc s LEU 182 CO -0.06 -0.05 0.14 -0.31 0.23 0.00 0.00 176.35 176.30 1tqc s TYR 183 N -0.74 3.52 -0.02 0.29 2.02 0.18 0.72 117.35 123.31 1tqc s TYR 183 Ca -0.03 0.42 0.06 0.00 -0.37 0.00 0.00 57.07 57.16 1tqc s TYR 183 Cb -0.06 -1.88 -0.02 0.00 -0.40 0.00 0.00 41.96 39.61 1tqc s TYR 183 CO 0.00 0.67 -0.21 0.99 -1.57 0.00 0.00 175.55 175.43 1tqc s THR 184 N -1.12 1.70 0.12 -0.71 2.01 -0.27 -1.81 115.64 115.57 1tqc s THR 184 Ca 0.19 -0.91 0.04 0.00 0.31 0.00 0.00 61.69 61.31 1tqc s THR 184 Cb -0.12 -1.41 -0.04 0.00 0.01 0.00 0.00 72.50 70.93 1tqc s THR 184 CO 0.09 0.48 -0.10 -0.22 -0.69 0.00 0.00 174.62 174.18 1tqc s LEU 185 N -0.46 2.49 0.12 4.42 0.20 0.20 -0.45 118.68 125.20 1tqc s LEU 185 Ca 0.07 -0.95 -0.00 0.00 0.69 0.00 0.00 54.13 53.94 1tqc s LEU 185 Cb -0.09 -0.29 -0.04 0.00 -0.43 0.00 0.00 46.19 45.34 1tqc s LEU 185 CO -0.01 -0.33 0.03 -0.55 -0.29 0.00 0.00 176.35 175.20 1tqc s SER 186 N -2.93 0.53 -0.28 3.68 0.15 -1.26 -1.41 113.70 112.18 1tqc s SER 186 Ca 0.13 -1.15 -0.21 0.00 0.70 0.00 0.00 55.95 55.41 1tqc s SER 186 Cb 0.01 0.24 0.09 0.00 -1.71 0.00 0.00 66.02 64.65 1tqc s SER 186 CO -0.00 -0.67 0.77 -0.55 1.20 0.00 0.00 173.24 173.99 1tqc s SER 187 N -3.04 -0.75 0.32 5.45 0.15 -0.88 -1.94 113.70 113.00 1tqc s SER 187 Ca 0.20 1.34 0.09 0.00 0.70 0.00 0.00 55.95 58.29 1tqc s SER 187 Cb 0.07 1.34 -0.05 0.00 -1.71 0.00 0.00 66.02 65.67 1tqc s SER 187 CO -0.00 -0.22 -0.01 -0.94 1.20 0.00 0.00 173.24 173.26 1tqc s SER 188 N 0.83 4.20 -0.20 5.45 1.04 0.70 -1.18 113.70 124.53 1tqc s SER 188 Ca -0.03 -0.92 -0.14 0.00 0.48 0.00 0.00 55.95 55.34 1tqc s SER 188 Cb -0.05 -0.58 0.06 0.00 0.10 0.00 0.00 66.02 65.55 1tqc s SER 188 CO -0.08 -0.16 0.50 0.54 0.98 0.00 0.00 173.24 175.03 1tqc s VAL 189 N -2.47 -0.01 -0.04 5.02 0.11 -0.32 -0.35 120.40 122.33 1tqc s VAL 189 Ca 0.34 0.04 0.07 0.00 -2.93 0.00 0.00 61.98 59.49 1tqc s VAL 189 Cb -0.02 -0.72 -0.02 0.00 -1.53 0.00 0.00 36.38 34.09 1tqc s VAL 189 CO 0.19 0.02 -0.24 -0.89 -3.33 0.00 0.00 175.10 170.85 1tqc s THR 190 N 1.00 2.22 0.31 5.04 2.01 -0.86 -0.94 115.64 124.42 1tqc s THR 190 Ca -0.06 -1.03 0.02 0.00 0.31 0.00 0.00 61.69 60.94 1tqc s THR 190 Cb -0.06 -1.80 -0.02 0.00 0.01 0.00 0.00 72.50 70.63 1tqc s THR 190 CO -0.09 0.58 0.31 0.68 -0.69 0.00 0.00 174.62 175.41 1tqc s VAL 191 N -0.45 0.00 0.10 3.82 -7.23 -0.13 -4.84 120.40 111.67 1tqc s VAL 191 Ca 0.05 -1.87 -0.30 0.00 -1.81 0.00 0.00 61.98 58.05 1tqc s VAL 191 Cb -0.11 -2.53 -0.06 0.00 0.56 0.00 0.00 36.38 34.24 1tqc s VAL 191 CO 0.01 0.00 1.13 -0.89 -0.31 0.00 0.00 175.10 175.04 1tqc s THR 192 N -3.49 4.07 0.41 5.32 2.01 -1.26 -0.24 115.64 122.46 1tqc s THR 192 Ca 0.37 1.60 0.27 0.00 0.31 0.00 0.00 61.69 64.23 1tqc s THR 192 Cb 0.02 -4.02 0.43 0.00 0.01 0.00 0.00 72.50 68.94 1tqc s THR 192 CO 0.22 0.18 1.58 -1.28 -0.69 0.00 0.00 174.62 174.64 1tqc h SER 193 N 6.14 0.26 0.96 3.53 0.87 -0.55 -0.75 113.55 124.01 1tqc h SER 193 Ca -0.43 0.21 -0.05 0.00 -1.23 0.00 0.00 61.79 60.30 1tqc h SER 193 Cb 1.21 0.22 0.01 0.00 -0.44 0.00 0.00 62.40 63.40 1tqc h SER 193 CO 0.77 -0.35 -0.47 0.77 -0.53 0.00 0.00 176.83 177.02 1tqc h SER 194 N 0.01 -1.13 0.00 6.23 4.64 -1.91 -3.04 113.55 118.35 1tqc h SER 194 Ca 0.87 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 62.23 1tqc h SER 194 Cb 2.53 0.30 0.00 0.00 -0.31 0.00 0.00 62.40 64.92 1tqc h SER 194 CO -0.62 -0.79 0.00 0.35 -0.87 0.00 0.00 176.83 174.90 1tqc n THR 196 N -5.55 0.00 -3.64 2.95 -2.24 -0.29 -3.66 114.28 101.86 1tqc n THR 196 Ca -0.16 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.52 1tqc n THR 196 Cb 0.52 -0.52 -0.07 0.00 -2.10 0.00 0.00 70.33 68.16 1tqc n THR 196 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1tqc s TRP 197 N -1.39 -0.91 -1.18 4.78 -0.00 -1.15 -0.56 118.94 118.53 1tqc s TRP 197 Ca 0.00 2.00 0.00 0.00 -0.00 0.00 0.00 56.10 58.10 1tqc s TRP 197 Cb 0.00 0.45 0.00 0.00 -0.00 0.00 0.00 33.47 33.92 1tqc s TRP 197 CO 0.00 -0.45 0.30 -2.30 -0.00 0.00 0.00 176.95 174.51 1tqc n PRO 198 N 3.48 0.52 0.00 5.86 -0.02 -1.26 -4.84 135.00 138.73 1tqc n PRO 198 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 1tqc n PRO 198 Cb 0.57 -1.21 0.00 0.00 -0.02 0.00 0.00 33.50 32.84 1tqc n PRO 198 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1tqc n SER 200 N 0.11 0.00 -4.87 2.55 2.88 -1.24 -4.62 113.62 108.43 1tqc n SER 200 Ca 0.00 0.77 -0.30 0.00 -1.33 0.00 0.00 58.87 58.00 1tqc n SER 200 Cb 0.11 -0.27 -0.02 0.00 -0.75 0.00 0.00 64.21 63.28 1tqc n SER 200 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1tqc s GLN 201 N -2.08 3.75 -0.27 -1.46 -0.21 0.27 -5.05 119.66 114.61 1tqc s GLN 201 Ca 0.00 0.63 -0.17 0.00 0.02 0.00 0.00 55.36 55.83 1tqc s GLN 201 Cb 0.00 -2.25 -0.03 0.00 1.00 0.00 0.00 33.01 31.74 1tqc s GLN 201 CO 0.00 -0.25 0.49 -1.54 -2.12 0.00 0.00 175.29 171.87 1tqc s SER 202 N -3.52 6.39 -0.25 5.90 1.04 -1.26 -4.62 113.70 117.37 1tqc s SER 202 Ca 0.54 0.41 -0.11 0.00 0.48 0.00 0.00 55.95 57.26 1tqc s SER 202 Cb -0.10 -2.27 -0.05 0.00 0.10 0.00 0.00 66.02 63.70 1tqc s SER 202 CO 0.39 -0.30 0.19 -0.63 0.98 0.00 0.00 173.24 173.87 1tqc s ILE 203 N 2.28 5.33 -0.02 -1.02 -1.09 -1.26 -4.98 121.20 120.44 1tqc s ILE 203 Ca 0.20 0.22 0.05 0.00 -2.23 0.00 0.00 60.65 58.88 1tqc s ILE 203 Cb -0.16 -3.53 -0.01 0.00 -1.58 0.00 0.00 42.46 37.19 1tqc s ILE 203 CO 0.10 0.30 -0.16 -0.89 -1.23 0.00 0.00 174.94 173.06 1tqc s THR 204 N 1.35 1.32 -0.28 2.92 2.01 -1.26 -1.59 115.64 120.12 1tqc s THR 204 Ca 0.08 -0.69 -0.16 0.00 0.31 0.00 0.00 61.69 61.23 1tqc s THR 204 Cb -0.15 -1.12 -0.03 0.00 0.01 0.00 0.00 72.50 71.22 1tqc s THR 204 CO 0.07 0.38 0.42 0.00 -0.69 0.00 0.00 174.62 174.80 1tqc s ASN 207 N 1.63 6.06 -0.01 0.00 0.01 0.17 -1.26 114.94 121.54 1tqc s ASN 207 Ca 0.17 0.15 -0.00 0.00 -0.71 0.00 0.00 52.86 52.46 1tqc s ASN 207 Cb -0.16 -2.07 0.01 0.00 0.41 0.00 0.00 41.25 39.44 1tqc s ASN 207 CO 0.10 0.13 0.03 -0.69 -1.51 0.00 0.00 177.10 175.16 1tqc s VAL 208 N 0.64 -0.02 -0.04 1.60 1.01 0.16 -0.19 120.40 123.56 1tqc s VAL 208 Ca 0.07 0.08 0.01 0.00 0.00 0.00 0.00 61.98 62.14 1tqc s VAL 208 Cb -0.12 -0.06 0.02 0.00 0.00 0.00 0.00 36.38 36.22 1tqc s VAL 208 CO 0.01 0.03 -0.03 0.00 0.00 0.00 0.00 175.10 175.11 1tqc s ALA 209 N 0.42 0.52 -0.78 5.51 0.00 0.24 0.13 121.76 127.81 1tqc s ALA 209 Ca -0.03 0.04 -0.00 0.00 0.00 0.00 0.00 51.96 51.96 1tqc s ALA 209 Cb -0.05 -0.36 0.19 0.00 0.00 0.00 0.00 23.12 22.90 1tqc s ALA 209 CO -0.01 -0.02 0.62 -1.58 0.00 0.00 0.00 175.76 174.76 1tqc s HIS 210 N 0.91 3.69 0.10 0.00 2.46 -0.88 0.12 115.29 121.70 1tqc s HIS 210 Ca -0.11 -3.03 -0.19 0.00 0.47 0.00 0.00 55.06 52.20 1tqc s HIS 210 Cb -0.14 -3.11 -0.03 0.00 -0.13 0.00 0.00 32.58 29.17 1tqc s HIS 210 CO -0.00 -0.72 0.97 -0.35 -2.47 0.00 0.00 174.74 172.16 1tqc n PRO 211 N 2.56 -0.27 -0.36 2.88 -0.04 -1.26 -0.96 135.00 137.54 1tqc n PRO 211 Ca 0.17 0.95 0.01 0.00 -0.04 0.00 0.00 63.50 64.59 1tqc n PRO 211 Cb 0.37 -1.39 0.08 0.00 -0.04 0.00 0.00 33.50 32.51 1tqc n PRO 211 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1tqc h ALA 212 N 0.35 0.35 -0.11 0.55 0.00 -1.90 0.85 119.26 119.35 1tqc h ALA 212 Ca 0.11 0.32 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1tqc h ALA 212 Cb 0.26 0.90 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1tqc h ALA 212 CO -0.59 -0.53 0.00 -1.13 0.00 0.00 0.00 179.25 177.00 1tqc n SER 213 N -5.53 1.21 -2.61 0.00 3.41 -0.14 -4.84 113.62 105.12 1tqc n SER 213 Ca 0.12 -2.08 -0.08 0.00 -0.26 0.00 0.00 58.87 56.57 1tqc n SER 213 Cb 0.44 -0.31 -0.01 0.00 -0.26 0.00 0.00 64.21 64.07 1tqc n SER 213 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1tqc n SER 214 N -0.02 -2.46 -4.93 4.04 7.64 0.30 -4.88 113.62 113.31 1tqc n SER 214 Ca 0.04 0.24 -0.25 0.00 1.01 0.00 0.00 58.87 59.92 1tqc n SER 214 Cb 0.25 -2.16 -0.03 0.00 -1.01 0.00 0.00 64.21 61.27 1tqc n SER 214 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1tqc s THR 215 N -2.37 5.17 -0.30 0.44 2.01 -1.17 -5.02 115.64 114.40 1tqc s THR 215 Ca 0.06 -0.83 -0.07 0.00 0.31 0.00 0.00 61.69 61.16 1tqc s THR 215 Cb -0.03 -3.70 0.18 0.00 0.01 0.00 0.00 72.50 68.96 1tqc s THR 215 CO 0.07 -0.16 0.78 -0.75 -0.69 0.00 0.00 174.62 173.88 1tqc s LYS 216 N -3.41 0.42 0.20 4.92 2.20 -1.26 -2.07 119.74 120.74 1tqc s LYS 216 Ca 0.34 0.79 0.07 0.00 -0.36 0.00 0.00 55.97 56.81 1tqc s LYS 216 Cb -0.10 0.44 -0.05 0.00 -1.51 0.00 0.00 37.83 36.61 1tqc s LYS 216 CO 0.28 -0.42 -0.13 0.14 -0.36 0.00 0.00 175.35 174.87 1tqc s VAL 217 N 2.87 1.61 0.04 4.02 -7.23 0.35 -4.96 120.40 117.09 1tqc s VAL 217 Ca 0.10 -2.17 0.03 0.00 -1.81 0.00 0.00 61.98 58.13 1tqc s VAL 217 Cb -0.13 -2.04 -0.02 0.00 0.56 0.00 0.00 36.38 34.75 1tqc s VAL 217 CO -0.17 -0.60 -0.09 -1.81 -0.31 0.00 0.00 175.10 172.12 1tqc s ASP 218 N -3.30 1.09 -0.07 4.85 1.11 -1.25 0.40 116.67 119.50 1tqc s ASP 218 Ca 0.22 -0.48 -0.01 0.00 0.18 0.00 0.00 52.55 52.46 1tqc s ASP 218 Cb 0.00 -0.02 0.03 0.00 1.07 0.00 0.00 42.92 44.00 1tqc s ASP 218 CO 0.06 -0.10 -0.00 -0.54 1.18 0.00 0.00 175.17 175.77 1tqc s LYS 219 N -1.31 0.60 0.23 8.23 -0.14 -0.39 -4.92 119.74 122.04 1tqc s LYS 219 Ca -0.05 0.09 -0.30 0.00 -1.36 0.00 0.00 55.97 54.36 1tqc s LYS 219 Cb -0.08 -0.93 -0.09 0.00 -1.68 0.00 0.00 37.83 35.05 1tqc s LYS 219 CO 0.01 -0.28 0.99 0.15 -0.76 0.00 0.00 175.35 175.46 1tqc s LYS 220 N 1.84 4.77 -0.19 1.68 -0.14 -1.26 -0.72 119.74 125.72 1tqc s LYS 220 Ca 0.03 1.57 -0.06 0.00 -1.36 0.00 0.00 55.97 56.15 1tqc s LYS 220 Cb -0.12 -3.27 -0.03 0.00 -1.68 0.00 0.00 37.83 32.72 1tqc s LYS 220 CO -0.05 0.37 0.01 0.42 -0.76 0.00 0.00 175.35 175.35 1tqc s ILE 221 N -0.93 4.20 0.04 2.17 -1.09 -0.62 -4.90 121.20 120.07 1tqc s ILE 221 Ca 0.43 -0.24 -0.00 0.00 -2.23 0.00 0.00 60.65 58.62 1tqc s ILE 221 Cb -0.27 -2.89 -0.03 0.00 -1.58 0.00 0.00 42.46 37.69 1tqc s ILE 221 CO 0.34 0.44 -0.04 -1.61 -1.23 0.00 0.00 174.94 172.84 1tqc s GLU 222 N 0.72 0.53 0.00 2.79 2.02 -1.26 -4.64 118.70 118.86 1tqc s GLU 222 Ca 0.01 -0.99 0.00 0.00 0.02 0.00 0.00 54.97 54.01 1tqc s GLU 222 Cb -0.14 0.08 0.00 0.00 0.10 0.00 0.00 34.13 34.17 1tqc s GLU 222 CO 0.02 -0.06 0.38 -2.30 0.02 0.00 0.00 175.26 173.32