#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xqn s ASP 2 N 0.00 3.04 -0.21 0.00 1.01 -1.26 -5.03 116.67 114.22 1xqn s ASP 2 Ca 0.00 1.63 -0.03 0.00 0.71 0.00 0.00 52.55 54.86 1xqn s ASP 2 Cb 0.00 -2.28 -0.01 0.00 1.01 0.00 0.00 42.92 41.65 1xqn s ASP 2 CO 0.00 -2.93 -0.07 -0.89 0.21 0.00 0.00 175.17 171.49 1xqn s THR 3 N -2.81 3.21 -0.07 -1.27 2.01 -1.26 -5.03 115.64 110.42 1xqn s THR 3 Ca 0.65 -0.55 0.04 0.00 0.31 0.00 0.00 61.69 62.14 1xqn s THR 3 Cb -0.20 -2.44 -0.00 0.00 0.01 0.00 0.00 72.50 69.87 1xqn s THR 3 CO 0.58 0.44 -0.21 -0.63 -0.69 0.00 0.00 174.62 174.12 1xqn s ILE 4 N 1.36 1.76 -0.10 1.82 -1.09 -1.26 -3.20 121.20 120.50 1xqn s ILE 4 Ca 0.04 -0.87 0.04 0.00 -2.23 0.00 0.00 60.65 57.63 1xqn s ILE 4 Cb -0.14 -1.52 0.00 0.00 -1.58 0.00 0.00 42.46 39.22 1xqn s ILE 4 CO -0.04 0.49 -0.22 -0.69 -1.23 0.00 0.00 174.94 173.25 1xqn s VAL 5 N 0.18 1.94 0.04 2.92 1.01 -0.62 -0.55 120.40 125.31 1xqn s VAL 5 Ca -0.11 -0.95 -0.11 0.00 0.00 0.00 0.00 61.98 60.81 1xqn s VAL 5 Cb -0.15 -1.68 0.01 0.00 0.00 0.00 0.00 36.38 34.56 1xqn s VAL 5 CO 0.05 0.53 0.24 0.00 0.00 0.00 0.00 175.10 175.93 1xqn s ALA 6 N 0.39 -0.52 -0.26 5.51 0.00 0.13 -0.53 121.76 126.48 1xqn s ALA 6 Ca -0.18 -0.12 -0.05 0.00 0.00 0.00 0.00 51.96 51.61 1xqn s ALA 6 Cb -0.18 0.27 0.00 0.00 0.00 0.00 0.00 23.12 23.22 1xqn s ALA 6 CO 0.08 -0.37 0.03 0.08 0.00 0.00 0.00 175.76 175.58 1xqn s VAL 7 N -2.42 3.70 -0.13 0.00 1.01 -0.21 0.09 120.40 122.44 1xqn s VAL 7 Ca -0.06 -0.61 -0.06 0.00 0.00 0.00 0.00 61.98 61.25 1xqn s VAL 7 Cb -0.02 -2.82 -0.04 0.00 0.00 0.00 0.00 36.38 33.51 1xqn s VAL 7 CO -0.03 0.23 0.10 -1.83 0.00 0.00 0.00 175.10 173.57 1xqn s GLU 8 N 1.49 3.49 -0.64 2.72 -1.05 -0.02 -1.53 118.70 123.15 1xqn s GLU 8 Ca 0.04 -0.22 -0.11 0.00 -0.15 0.00 0.00 54.97 54.53 1xqn s GLU 8 Cb -0.16 -3.13 0.16 0.00 -0.44 0.00 0.00 34.13 30.56 1xqn s GLU 8 CO 0.00 0.65 0.54 -0.51 0.95 0.00 0.00 175.26 176.89 1xqn s LEU 9 N -0.69 6.07 -0.41 1.83 1.02 0.17 -1.37 118.68 125.31 1xqn s LEU 9 Ca 0.12 -2.35 -0.17 0.00 0.02 0.00 0.00 54.13 51.75 1xqn s LEU 9 Cb -0.12 -2.08 0.01 0.00 0.02 0.00 0.00 46.19 44.02 1xqn s LEU 9 CO 0.03 -0.62 0.44 -0.62 0.02 0.00 0.00 176.35 175.60 1xqn s ASP 10 N 2.26 6.21 0.13 2.29 -1.08 -0.16 -1.51 116.67 124.81 1xqn s ASP 10 Ca 0.12 -0.55 0.24 0.00 -0.52 0.00 0.00 52.55 51.83 1xqn s ASP 10 Cb -0.20 -2.23 0.33 0.00 -1.46 0.00 0.00 42.92 39.37 1xqn s ASP 10 CO -0.03 -0.55 1.32 0.71 0.52 0.00 0.00 175.17 177.13 1xqn h THR 11 N 5.70 0.00 -3.18 1.71 1.35 -1.69 -1.09 112.91 115.72 1xqn h THR 11 Ca -0.27 -0.53 -0.60 0.00 -0.55 0.00 0.00 66.41 64.46 1xqn h THR 11 Cb 1.12 1.12 -0.35 0.00 -1.73 0.00 0.00 68.15 68.30 1xqn h THR 11 CO 0.78 0.00 -0.83 -0.47 -0.25 0.00 0.00 175.52 174.75 1xqn s TYR 12 N -3.18 2.09 -0.42 4.73 6.14 -1.25 -4.52 117.35 120.95 1xqn s TYR 12 Ca 0.06 -1.10 -0.29 0.00 0.64 0.00 0.00 57.07 56.38 1xqn s TYR 12 Cb 0.13 -1.53 0.01 0.00 0.42 0.00 0.00 41.96 41.00 1xqn s TYR 12 CO 0.72 -0.59 1.31 -1.25 0.64 0.00 0.00 175.55 176.38 1xqn s PRO 13 N 1.29 3.67 -0.82 4.97 0.04 -1.26 -4.95 135.00 137.94 1xqn s PRO 13 Ca 0.00 0.87 -0.12 0.00 0.04 0.00 0.00 61.00 61.79 1xqn s PRO 13 Cb -0.14 -3.97 0.22 0.00 0.04 0.00 0.00 34.50 30.65 1xqn s PRO 13 CO -0.07 -1.44 0.75 -0.80 0.04 0.00 0.00 177.00 175.47 1xqn s ASN 14 N 3.31 6.60 0.50 6.66 -0.87 -1.26 -4.94 114.94 124.94 1xqn s ASN 14 Ca 0.56 -2.78 0.25 0.00 -1.57 0.00 0.00 52.86 49.33 1xqn s ASN 14 Cb -0.12 -2.16 1.30 0.00 -0.02 0.00 0.00 41.25 40.25 1xqn s ASN 14 CO 0.31 -0.53 2.02 0.71 -2.57 0.00 0.00 177.10 177.04 1xqn h THR 15 N 4.76 0.64 0.00 1.60 1.35 -1.86 -2.33 112.91 117.07 1xqn h THR 15 Ca 0.10 -0.67 0.00 0.00 -0.55 0.00 0.00 66.41 65.29 1xqn h THR 15 Cb 1.02 1.43 0.00 0.00 -1.73 0.00 0.00 68.15 68.86 1xqn h THR 15 CO 0.76 0.15 0.00 -0.90 -0.25 0.00 0.00 175.52 175.28 1xqn n ASP 16 N -3.67 0.15 -1.16 5.36 5.75 -1.26 -2.35 116.55 119.38 1xqn n ASP 16 Ca -0.02 0.52 -0.01 0.00 -0.01 0.00 0.00 54.79 55.27 1xqn n ASP 16 Cb 0.28 -0.56 0.22 0.00 -1.03 0.00 0.00 41.12 40.03 1xqn n ASP 16 CO 0.00 0.00 0.00 2.30 -0.11 0.00 0.00 177.20 179.39 1xqn n ILE 17 N -1.65 2.52 -0.34 2.12 -5.35 -0.91 -4.95 119.36 110.79 1xqn n ILE 17 Ca 0.05 -2.37 0.00 0.00 -0.27 0.00 0.00 62.75 60.16 1xqn n ILE 17 Cb 0.29 -0.31 0.00 0.00 -1.74 0.00 0.00 39.64 37.88 1xqn n ILE 17 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1xqn n GLY 18 N -0.90 1.05 3.76 3.28 0.00 -0.99 -4.61 105.19 106.78 1xqn n GLY 18 Ca 0.31 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.95 1xqn n GLY 18 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xqn s ASP 19 N -3.02 5.74 0.97 1.61 1.01 -1.01 -4.95 116.67 117.02 1xqn s ASP 19 Ca 0.00 2.61 -0.12 0.00 0.71 0.00 0.00 52.55 55.75 1xqn s ASP 19 Cb 0.00 -2.63 0.17 0.00 1.01 0.00 0.00 42.92 41.47 1xqn s ASP 19 CO 0.00 -1.23 1.09 -2.16 0.21 0.00 0.00 175.17 173.08 1xqn s PRO 20 N -2.72 0.67 -0.07 8.23 0.04 -1.26 -4.19 135.00 135.70 1xqn s PRO 20 Ca 0.66 0.63 0.00 0.00 0.04 0.00 0.00 61.00 62.34 1xqn s PRO 20 Cb -0.36 -1.76 0.07 0.00 0.04 0.00 0.00 34.50 32.50 1xqn s PRO 20 CO 0.44 -2.60 1.43 -1.13 0.04 0.00 0.00 177.00 175.19 1xqn n SER 21 N -4.10 4.01 -3.51 6.66 3.41 -1.26 -4.60 113.62 114.23 1xqn n SER 21 Ca 0.06 -2.34 -0.11 0.00 -0.26 0.00 0.00 58.87 56.22 1xqn n SER 21 Cb 0.56 -0.75 -0.02 0.00 -0.26 0.00 0.00 64.21 63.75 1xqn n SER 21 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1xqn s TYR 22 N -0.44 -0.46 0.47 7.33 -0.85 -1.26 -4.95 117.35 117.19 1xqn s TYR 22 Ca 0.08 0.20 -0.23 0.00 -0.52 0.00 0.00 57.07 56.59 1xqn s TYR 22 Cb 0.06 0.57 -0.09 0.00 0.38 0.00 0.00 41.96 42.89 1xqn s TYR 22 CO 0.01 -0.91 1.12 -2.30 -1.52 0.00 0.00 175.55 171.95 1xqn n PRO 23 N -0.39 1.50 -3.64 -3.49 -0.02 -1.26 -4.60 135.00 123.10 1xqn n PRO 23 Ca -0.15 0.54 -0.10 0.00 -2.02 0.00 0.00 63.50 61.77 1xqn n PRO 23 Cb 0.64 -2.23 -0.04 0.00 -0.02 0.00 0.00 33.50 31.84 1xqn n PRO 23 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1xqn s HIS 24 N -1.29 -0.19 0.00 6.00 -3.43 -0.41 -1.45 115.29 114.51 1xqn s HIS 24 Ca 0.65 -0.12 0.00 0.00 -0.80 0.00 0.00 55.06 54.79 1xqn s HIS 24 Cb -0.50 0.29 -0.04 0.00 -1.43 0.00 0.00 32.58 30.90 1xqn s HIS 24 CO 0.55 -0.74 0.07 0.96 -2.00 0.00 0.00 174.74 173.57 1xqn s ILE 25 N -3.82 4.60 0.08 -5.38 -4.36 -0.40 -0.99 121.20 110.95 1xqn s ILE 25 Ca 0.04 -0.47 -0.10 0.00 -0.26 0.00 0.00 60.65 59.86 1xqn s ILE 25 Cb 0.01 -3.10 0.00 0.00 1.25 0.00 0.00 42.46 40.62 1xqn s ILE 25 CO -0.10 0.34 0.22 -0.83 0.24 0.00 0.00 174.94 174.81 1xqn s GLY 26 N -1.76 0.03 -0.21 6.27 0.00 -0.47 -1.17 107.32 110.01 1xqn s GLY 26 Ca 0.23 -0.47 -0.05 0.00 0.00 0.00 0.00 44.72 44.43 1xqn s GLY 26 CO 0.14 -0.67 -0.01 -0.42 0.00 0.00 0.00 173.10 172.14 1xqn s ILE 27 N -3.64 3.82 -0.22 0.90 1.01 -0.35 -0.84 121.20 121.88 1xqn s ILE 27 Ca 0.03 -0.35 -0.03 0.00 0.00 0.00 0.00 60.65 60.30 1xqn s ILE 27 Cb 0.04 -2.73 0.00 0.00 0.01 0.00 0.00 42.46 39.78 1xqn s ILE 27 CO -0.10 0.42 -0.06 -1.81 0.00 0.00 0.00 174.94 173.39 1xqn s ASP 28 N 1.13 4.15 -0.44 3.58 1.01 0.11 -1.00 116.67 125.21 1xqn s ASP 28 Ca 0.02 -0.52 -0.00 0.00 0.71 0.00 0.00 52.55 52.77 1xqn s ASP 28 Cb -0.14 -1.69 0.12 0.00 1.01 0.00 0.00 42.92 42.21 1xqn s ASP 28 CO 0.01 -0.04 0.21 -0.63 0.21 0.00 0.00 175.17 174.93 1xqn s ILE 29 N 1.43 2.99 -0.93 0.77 -1.09 -1.26 -0.69 121.20 122.41 1xqn s ILE 29 Ca 0.05 -2.48 0.00 0.00 -2.23 0.00 0.00 60.65 55.99 1xqn s ILE 29 Cb -0.15 -3.07 0.00 0.00 -1.58 0.00 0.00 42.46 37.67 1xqn s ILE 29 CO -0.05 -0.71 0.00 0.29 -1.23 0.00 0.00 174.94 173.24 1xqn n LYS 30 N 4.09 -1.31 -3.60 2.79 5.02 0.28 -4.94 118.16 120.50 1xqn n LYS 30 Ca 0.02 0.76 -0.15 0.00 -2.02 0.00 0.00 58.31 56.92 1xqn n LYS 30 Cb 0.40 -4.93 -0.07 0.00 -0.02 0.00 0.00 35.03 30.41 1xqn n LYS 30 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1xqn s SER 31 N -2.45 -0.69 0.41 4.39 0.15 -1.26 -4.95 113.70 109.30 1xqn s SER 31 Ca 0.00 1.13 0.29 0.00 0.70 0.00 0.00 55.95 58.07 1xqn s SER 31 Cb 0.00 1.08 1.22 0.00 -1.71 0.00 0.00 66.02 66.61 1xqn s SER 31 CO 0.00 -0.38 1.86 1.62 1.20 0.00 0.00 173.24 177.54 1xqn h VAL 32 N 3.64 0.00 -1.89 4.45 3.04 -1.84 -3.39 116.25 120.28 1xqn h VAL 32 Ca -0.28 -0.35 -0.59 0.00 -1.01 0.00 0.00 66.70 64.46 1xqn h VAL 32 Cb 1.15 1.22 -0.11 0.00 -2.01 0.00 0.00 31.29 31.54 1xqn h VAL 32 CO 0.19 0.00 1.15 -0.13 -1.01 0.00 0.00 177.57 177.77 1xqn s ARG 33 N -3.52 3.40 0.36 4.17 0.52 -1.26 -4.97 118.95 117.65 1xqn s ARG 33 Ca 0.02 -0.87 -0.25 0.00 -0.52 0.00 0.00 55.73 54.11 1xqn s ARG 33 Cb 0.09 -4.76 -0.13 0.00 0.52 0.00 0.00 34.95 30.67 1xqn s ARG 33 CO 0.46 -2.09 0.87 0.43 0.02 0.00 0.00 175.30 175.00 1xqn n SER 34 N 8.62 0.63 0.20 0.23 7.64 -1.26 -4.83 113.62 124.85 1xqn n SER 34 Ca 0.17 1.07 0.09 0.00 1.01 0.00 0.00 58.87 61.21 1xqn n SER 34 Cb 0.49 -1.25 0.25 0.00 -1.01 0.00 0.00 64.21 62.70 1xqn n SER 34 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1xqn h LYS 35 N 1.50 0.00 -2.25 1.43 1.79 -1.41 -3.45 116.57 114.18 1xqn h LYS 35 Ca -0.41 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.00 1xqn h LYS 35 Cb 1.36 0.00 -0.22 0.00 -1.58 0.00 0.00 32.23 31.79 1xqn h LYS 35 CO 0.57 0.21 0.01 0.21 -1.08 0.00 0.00 179.45 179.37 1xqn s LYS 36 N -3.29 0.72 0.19 3.15 2.47 -1.24 -5.02 119.74 116.71 1xqn s LYS 36 Ca 0.04 0.86 0.02 0.00 -1.56 0.00 0.00 55.97 55.33 1xqn s LYS 36 Cb 0.08 0.34 -0.05 0.00 -1.46 0.00 0.00 37.83 36.74 1xqn s LYS 36 CO 0.67 -0.09 0.02 0.95 0.16 0.00 0.00 175.35 177.06 1xqn s THR 37 N 0.36 0.66 -0.01 3.43 -4.23 -1.26 -1.22 115.64 113.37 1xqn s THR 37 Ca -0.00 -1.99 -0.09 0.00 -1.18 0.00 0.00 61.69 58.43 1xqn s THR 37 Cb -0.04 -2.22 0.01 0.00 1.34 0.00 0.00 72.50 71.59 1xqn s THR 37 CO 0.00 -0.38 0.20 0.00 -0.54 0.00 0.00 174.62 173.90 1xqn s ALA 38 N -3.68 -0.48 0.29 3.99 0.00 -0.32 -4.99 121.76 116.58 1xqn s ALA 38 Ca 0.27 0.08 -0.30 0.00 0.00 0.00 0.00 51.96 52.01 1xqn s ALA 38 Cb 0.06 0.04 -0.11 0.00 0.00 0.00 0.00 23.12 23.12 1xqn s ALA 38 CO 0.06 -0.21 1.50 0.21 0.00 0.00 0.00 175.76 177.32 1xqn s LYS 39 N -1.19 4.19 -0.18 0.00 2.20 -1.26 -1.27 119.74 122.23 1xqn s LYS 39 Ca -0.13 2.45 0.00 0.00 -0.36 0.00 0.00 55.97 57.94 1xqn s LYS 39 Cb -0.06 -3.05 0.04 0.00 -1.51 0.00 0.00 37.83 33.24 1xqn s LYS 39 CO 0.02 -0.51 -0.10 -0.46 -0.36 0.00 0.00 175.35 173.94 1xqn s TRP 40 N -0.22 2.20 -1.37 4.03 -0.00 -0.53 -4.73 118.94 118.32 1xqn s TRP 40 Ca 0.59 -1.39 -0.14 0.00 -0.00 0.00 0.00 56.10 55.17 1xqn s TRP 40 Cb -0.45 -1.55 0.09 0.00 -0.00 0.00 0.00 33.47 31.55 1xqn s TRP 40 CO 0.48 -0.70 2.00 0.09 -0.00 0.00 0.00 176.95 178.83 1xqn n ASN 41 N 4.75 4.45 -4.75 5.86 3.02 -1.26 -4.33 115.26 122.99 1xqn n ASN 41 Ca -0.14 -2.93 -0.41 0.00 -0.03 0.00 0.00 54.58 51.06 1xqn n ASN 41 Cb 0.48 -1.63 -0.01 0.00 -0.61 0.00 0.00 39.78 38.00 1xqn n ASN 41 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 1xqn s MET 42 N 2.60 4.12 -0.28 3.52 -2.45 -1.26 -4.99 119.30 120.55 1xqn s MET 42 Ca 0.46 2.59 -0.02 0.00 -1.25 0.00 0.00 55.69 57.47 1xqn s MET 42 Cb 0.10 -3.02 0.04 0.00 1.25 0.00 0.00 34.83 33.20 1xqn s MET 42 CO -0.03 -0.63 -0.02 -0.65 1.05 0.00 0.00 175.02 174.74 1xqn s GLN 43 N -0.62 2.55 0.07 4.11 -0.21 -1.26 -5.08 119.66 119.22 1xqn s GLN 43 Ca 0.63 -1.18 -0.30 0.00 0.02 0.00 0.00 55.36 54.52 1xqn s GLN 43 Cb -0.48 -3.11 -0.10 0.00 1.00 0.00 0.00 33.01 30.32 1xqn s GLN 43 CO 0.49 -0.55 1.92 1.21 -2.12 0.00 0.00 175.29 176.25 1xqn s ASN 44 N 1.27 6.43 0.00 5.90 3.84 -1.26 -2.63 114.94 128.49 1xqn s ASN 44 Ca -0.04 2.72 0.00 0.00 0.21 0.00 0.00 52.86 55.75 1xqn s ASN 44 Cb -0.19 -2.54 0.00 0.00 -0.55 0.00 0.00 41.25 37.97 1xqn s ASN 44 CO -0.02 -1.04 0.00 0.61 -2.79 0.00 0.00 177.10 173.86 1xqn n GLY 45 N 4.44 0.80 3.75 1.21 0.00 0.08 -4.97 105.19 110.49 1xqn n GLY 45 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 1xqn n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xqn s LYS 46 N -0.44 2.85 -0.08 1.61 -0.14 -1.08 -4.95 119.74 117.51 1xqn s LYS 46 Ca 0.00 -0.66 -0.30 0.00 -1.36 0.00 0.00 55.97 53.66 1xqn s LYS 46 Cb 0.00 -2.72 -0.02 0.00 -1.68 0.00 0.00 37.83 33.42 1xqn s LYS 46 CO 0.00 0.59 1.03 0.08 -0.76 0.00 0.00 175.35 176.29 1xqn s VAL 47 N -1.29 4.72 0.39 3.17 1.01 -1.26 -4.28 120.40 122.86 1xqn s VAL 47 Ca 0.26 1.99 0.08 0.00 0.00 0.00 0.00 61.98 64.30 1xqn s VAL 47 Cb -0.12 -4.28 -0.07 0.00 0.00 0.00 0.00 36.38 31.91 1xqn s VAL 47 CO 0.18 0.03 0.01 -0.83 0.00 0.00 0.00 175.10 174.48 1xqn s GLY 48 N 1.13 2.38 -0.03 4.51 0.00 -0.12 -4.48 107.32 110.71 1xqn s GLY 48 Ca 0.50 -2.21 0.01 0.00 0.00 0.00 0.00 44.72 43.02 1xqn s GLY 48 CO 0.20 -2.04 -0.03 -1.59 0.00 0.00 0.00 173.10 169.63 1xqn s THR 49 N -2.66 0.38 -0.01 0.90 2.01 -0.43 -1.24 115.64 114.59 1xqn s THR 49 Ca 0.35 -0.08 0.06 0.00 0.31 0.00 0.00 61.69 62.33 1xqn s THR 49 Cb 0.07 -0.41 -0.03 0.00 0.01 0.00 0.00 72.50 72.14 1xqn s THR 49 CO 0.18 0.17 -0.19 0.00 -0.69 0.00 0.00 174.62 174.09 1xqn s ALA 50 N 0.65 2.49 -0.01 7.40 0.00 -0.32 -1.28 121.76 130.68 1xqn s ALA 50 Ca -0.08 -1.09 0.06 0.00 0.00 0.00 0.00 51.96 50.86 1xqn s ALA 50 Cb -0.11 -0.77 -0.02 0.00 0.00 0.00 0.00 23.12 22.23 1xqn s ALA 50 CO -0.00 0.55 -0.21 -1.01 0.00 0.00 0.00 175.76 175.09 1xqn s HIS 51 N -0.75 1.86 -0.04 0.00 3.76 0.94 -1.59 115.29 119.47 1xqn s HIS 51 Ca 0.12 -0.35 0.02 0.00 -0.15 0.00 0.00 55.06 54.70 1xqn s HIS 51 Cb -0.10 -1.19 0.01 0.00 1.11 0.00 0.00 32.58 32.40 1xqn s HIS 51 CO 0.01 -0.02 -0.10 0.42 -0.85 0.00 0.00 174.74 174.20 1xqn s ILE 52 N -0.51 0.91 0.04 0.60 1.09 0.26 -0.93 121.20 122.67 1xqn s ILE 52 Ca 0.08 -0.40 0.01 0.00 -1.10 0.00 0.00 60.65 59.24 1xqn s ILE 52 Cb -0.08 -0.83 -0.02 0.00 -1.06 0.00 0.00 42.46 40.47 1xqn s ILE 52 CO -0.01 0.29 -0.05 0.27 -0.10 0.00 0.00 174.94 175.34 1xqn s ILE 53 N 0.39 0.32 -0.17 2.92 -4.36 -0.21 -0.50 121.20 119.58 1xqn s ILE 53 Ca -0.07 -1.12 -0.28 0.00 -0.26 0.00 0.00 60.65 58.91 1xqn s ILE 53 Cb -0.12 -0.60 0.09 0.00 1.25 0.00 0.00 42.46 43.09 1xqn s ILE 53 CO 0.01 -0.53 0.84 -0.47 0.24 0.00 0.00 174.94 175.03 1xqn s TYR 54 N -1.80 -0.58 0.04 1.37 5.04 -0.73 -1.52 117.35 119.17 1xqn s TYR 54 Ca -0.10 1.18 -0.06 0.00 -2.44 0.00 0.00 57.07 55.66 1xqn s TYR 54 Cb -0.07 0.38 -0.01 0.00 0.35 0.00 0.00 41.96 42.61 1xqn s TYR 54 CO -0.02 -0.42 0.10 0.54 -1.34 0.00 0.00 175.55 174.42 1xqn s ASN 55 N -0.56 0.18 0.07 4.32 2.20 -1.26 -1.23 114.94 118.65 1xqn s ASN 55 Ca -0.04 -0.54 0.25 0.00 -0.94 0.00 0.00 52.86 51.60 1xqn s ASN 55 Cb -0.02 0.23 1.01 0.00 -2.00 0.00 0.00 41.25 40.48 1xqn s ASN 55 CO 0.03 -0.52 1.80 -1.54 -2.94 0.00 0.00 177.10 173.92 1xqn n SER 56 N 0.71 0.24 -0.06 3.54 3.41 0.10 -1.09 113.62 120.47 1xqn n SER 56 Ca -0.19 0.53 -0.13 0.00 -0.26 0.00 0.00 58.87 58.82 1xqn n SER 56 Cb 0.59 -0.59 -0.12 0.00 -0.26 0.00 0.00 64.21 63.82 1xqn n SER 56 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1xqn h VAL 57 N 0.00 1.68 0.00 -3.33 2.07 -1.90 -3.37 116.25 111.41 1xqn h VAL 57 Ca 0.00 -2.18 -0.16 0.00 0.82 0.00 0.00 66.70 65.18 1xqn h VAL 57 Cb 0.50 3.14 -0.02 0.00 -1.52 0.00 0.00 31.29 33.39 1xqn h VAL 57 CO 0.00 0.55 -0.83 0.44 0.02 0.00 0.00 177.57 177.76 1xqn h ASP 58 N -0.96 0.00 -6.13 0.57 3.32 -1.96 -3.48 116.42 107.79 1xqn h ASP 58 Ca -0.00 0.00 -0.42 0.00 0.02 0.00 0.00 57.03 56.63 1xqn h ASP 58 Cb 0.91 0.00 0.05 0.00 0.22 0.00 0.00 39.33 40.51 1xqn h ASP 58 CO 0.00 0.74 -0.85 0.29 -1.72 0.00 0.00 179.24 177.70 1xqn n LYS 59 N -3.25 -4.07 -3.78 3.56 5.02 -0.25 -4.91 118.16 110.48 1xqn n LYS 59 Ca -0.00 0.58 -0.23 0.00 -2.02 0.00 0.00 58.31 56.64 1xqn n LYS 59 Cb 0.84 -4.99 -0.18 0.00 -0.02 0.00 0.00 35.03 30.69 1xqn n LYS 59 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1xqn s ARG 60 N -5.97 0.65 -0.24 1.97 3.52 -1.26 -1.31 118.95 116.30 1xqn s ARG 60 Ca 0.08 0.09 -0.18 0.00 -0.13 0.00 0.00 55.73 55.60 1xqn s ARG 60 Cb -0.02 -0.99 -0.03 0.00 -1.56 0.00 0.00 34.95 32.34 1xqn s ARG 60 CO 0.82 -0.30 0.51 -1.17 -0.81 0.00 0.00 175.30 174.36 1xqn s LEU 61 N 1.95 4.08 0.10 -0.88 2.96 -0.10 -4.37 118.68 122.42 1xqn s LEU 61 Ca 0.05 0.56 0.06 0.00 -0.22 0.00 0.00 54.13 54.58 1xqn s LEU 61 Cb -0.12 -2.66 -0.03 0.00 0.50 0.00 0.00 46.19 43.87 1xqn s LEU 61 CO -0.05 -0.25 -0.16 -0.44 -1.32 0.00 0.00 176.35 174.13 1xqn s SER 62 N 1.43 2.08 0.00 3.68 0.01 -0.58 -1.09 113.70 119.23 1xqn s SER 62 Ca 0.22 -0.72 -0.07 0.00 1.31 0.00 0.00 55.95 56.69 1xqn s SER 62 Cb -0.16 -0.09 0.00 0.00 0.21 0.00 0.00 66.02 65.99 1xqn s SER 62 CO 0.09 -0.06 0.14 0.00 0.41 0.00 0.00 173.24 173.82 1xqn s ALA 63 N -1.60 -0.32 -0.01 1.44 0.00 -0.28 -1.04 121.76 119.96 1xqn s ALA 63 Ca 0.05 -0.15 0.01 0.00 0.00 0.00 0.00 51.96 51.87 1xqn s ALA 63 Cb -0.08 0.12 0.00 0.00 0.00 0.00 0.00 23.12 23.16 1xqn s ALA 63 CO 0.03 -0.21 -0.04 0.08 0.00 0.00 0.00 175.76 175.62 1xqn s VAL 64 N -1.44 0.32 0.00 0.00 1.01 -0.11 -1.75 120.40 118.43 1xqn s VAL 64 Ca -0.14 -0.15 0.03 0.00 0.00 0.00 0.00 61.98 61.71 1xqn s VAL 64 Cb -0.07 -0.28 -0.01 0.00 0.00 0.00 0.00 36.38 36.01 1xqn s VAL 64 CO 0.01 0.10 -0.08 -0.69 0.00 0.00 0.00 175.10 174.44 1xqn s VAL 65 N 0.03 0.65 0.29 2.92 1.01 -0.39 -0.04 120.40 124.87 1xqn s VAL 65 Ca 0.00 -0.44 -0.10 0.00 0.00 0.00 0.00 61.98 61.45 1xqn s VAL 65 Cb -0.03 -0.56 0.00 0.00 0.00 0.00 0.00 36.38 35.79 1xqn s VAL 65 CO -0.00 0.12 0.50 -0.94 0.00 0.00 0.00 175.10 174.78 1xqn s SER 66 N -0.35 0.24 0.10 3.32 1.04 -0.41 -1.18 113.70 116.47 1xqn s SER 66 Ca 0.02 -1.14 0.04 0.00 0.48 0.00 0.00 55.95 55.36 1xqn s SER 66 Cb -0.04 0.63 -0.04 0.00 0.10 0.00 0.00 66.02 66.68 1xqn s SER 66 CO -0.00 -1.24 -0.11 -0.31 0.98 0.00 0.00 173.24 172.56 1xqn s TYR 67 N -3.54 1.16 0.49 5.02 2.02 -1.26 -1.32 117.35 119.92 1xqn s TYR 67 Ca 0.25 -0.63 -0.24 0.00 -0.37 0.00 0.00 57.07 56.08 1xqn s TYR 67 Cb -0.01 -0.62 -0.07 0.00 -0.40 0.00 0.00 41.96 40.86 1xqn s TYR 67 CO 0.13 0.04 1.38 -2.30 -1.57 0.00 0.00 175.55 173.23 1xqn n PRO 68 N 0.54 1.97 -0.99 -1.71 -0.02 -1.26 -2.17 135.00 131.36 1xqn n PRO 68 Ca -0.16 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 1xqn n PRO 68 Cb 0.58 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 1xqn n PRO 68 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1xqn n ASN 69 N -0.47 -4.54 -4.20 2.55 5.03 -1.26 -4.99 115.26 107.38 1xqn n ASN 69 Ca 0.08 0.00 -0.15 0.00 0.87 0.00 0.00 54.58 55.38 1xqn n ASN 69 Cb 0.43 -2.14 -0.11 0.00 -1.02 0.00 0.00 39.78 36.94 1xqn n ASN 69 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1xqn s ALA 70 N -1.47 1.23 0.82 5.41 0.00 -0.92 -5.15 121.76 121.69 1xqn s ALA 70 Ca 0.00 -1.27 -0.10 0.00 0.00 0.00 0.00 51.96 50.58 1xqn s ALA 70 Cb 0.00 0.02 0.09 0.00 0.00 0.00 0.00 23.12 23.23 1xqn s ALA 70 CO 0.00 -0.04 1.10 -0.51 0.00 0.00 0.00 175.76 176.32 1xqn s ASP 71 N -2.62 3.98 0.52 0.00 1.01 -1.26 -4.49 116.67 113.81 1xqn s ASP 71 Ca 0.09 1.88 0.01 0.00 0.71 0.00 0.00 52.55 55.23 1xqn s ASP 71 Cb -0.02 -2.50 0.02 0.00 1.01 0.00 0.00 42.92 41.43 1xqn s ASP 71 CO 0.00 -2.38 0.75 -0.44 0.21 0.00 0.00 175.17 173.31 1xqn s SER 72 N -3.21 5.46 0.07 0.27 0.01 -1.26 -4.54 113.70 110.50 1xqn s SER 72 Ca 0.63 0.11 0.08 0.00 1.31 0.00 0.00 55.95 58.07 1xqn s SER 72 Cb -0.19 -1.11 -0.03 0.00 0.21 0.00 0.00 66.02 64.90 1xqn s SER 72 CO 0.57 -1.00 -0.22 0.00 0.41 0.00 0.00 173.24 173.00 1xqn s ALA 73 N -2.70 1.88 0.03 1.44 0.00 -0.32 -4.98 121.76 117.11 1xqn s ALA 73 Ca 0.54 -1.17 -0.06 0.00 0.00 0.00 0.00 51.96 51.28 1xqn s ALA 73 Cb -0.10 -0.34 -0.01 0.00 0.00 0.00 0.00 23.12 22.67 1xqn s ALA 73 CO 0.38 0.41 0.10 -0.08 0.00 0.00 0.00 175.76 176.58 1xqn s THR 74 N -0.92 0.12 -0.05 0.00 -1.32 -1.26 -1.26 115.64 110.95 1xqn s THR 74 Ca 0.08 -1.02 -0.11 0.00 -1.21 0.00 0.00 61.69 59.44 1xqn s THR 74 Cb -0.09 -0.80 0.02 0.00 -1.51 0.00 0.00 72.50 70.12 1xqn s THR 74 CO 0.03 -0.56 0.26 0.54 -2.21 0.00 0.00 174.62 172.67 1xqn s VAL 75 N -2.37 0.04 0.00 5.08 0.11 -0.72 -4.68 120.40 117.88 1xqn s VAL 75 Ca -0.07 -0.34 -0.04 0.00 -2.93 0.00 0.00 61.98 58.60 1xqn s VAL 75 Cb -0.03 -0.48 -0.00 0.00 -1.53 0.00 0.00 36.38 34.34 1xqn s VAL 75 CO -0.03 -0.19 0.07 -0.44 -3.33 0.00 0.00 175.10 171.18 1xqn s SER 76 N -0.76 0.08 -0.10 3.54 0.01 -1.26 -1.12 113.70 114.08 1xqn s SER 76 Ca -0.09 -0.24 -0.06 0.00 1.31 0.00 0.00 55.95 56.88 1xqn s SER 76 Cb -0.04 0.17 0.04 0.00 0.21 0.00 0.00 66.02 66.40 1xqn s SER 76 CO 0.02 -0.29 0.24 -0.47 0.41 0.00 0.00 173.24 173.16 1xqn s TYR 77 N -1.17 -0.32 -0.29 2.43 5.04 -0.25 -4.92 117.35 117.88 1xqn s TYR 77 Ca -0.13 0.77 -0.28 0.00 -2.44 0.00 0.00 57.07 54.99 1xqn s TYR 77 Cb -0.07 0.05 0.01 0.00 0.35 0.00 0.00 41.96 42.30 1xqn s TYR 77 CO 0.00 -0.22 1.03 -0.51 -1.34 0.00 0.00 175.55 174.52 1xqn s ASP 78 N 1.13 6.97 -0.23 4.32 1.01 -1.26 -0.92 116.67 127.68 1xqn s ASP 78 Ca -0.08 1.13 -0.14 0.00 0.71 0.00 0.00 52.55 54.17 1xqn s ASP 78 Cb -0.09 -2.53 0.07 0.00 1.01 0.00 0.00 42.92 41.38 1xqn s ASP 78 CO -0.08 -0.78 0.57 0.54 0.21 0.00 0.00 175.17 175.63 1xqn s VAL 79 N 3.42 -0.01 -0.58 -1.27 0.11 -0.43 -4.98 120.40 116.66 1xqn s VAL 79 Ca 0.44 0.04 -0.24 0.00 -2.93 0.00 0.00 61.98 59.28 1xqn s VAL 79 Cb -0.13 -0.82 0.05 0.00 -1.53 0.00 0.00 36.38 33.94 1xqn s VAL 79 CO 0.12 0.01 0.95 -0.62 -3.33 0.00 0.00 175.10 172.23 1xqn s ASP 80 N 1.34 6.29 0.54 3.54 -1.08 -1.26 -4.15 116.67 121.88 1xqn s ASP 80 Ca -0.08 -0.53 0.35 0.00 -0.52 0.00 0.00 52.55 51.78 1xqn s ASP 80 Cb -0.06 -2.43 1.68 0.00 -1.46 0.00 0.00 42.92 40.65 1xqn s ASP 80 CO -0.14 -1.28 2.06 -0.07 0.52 0.00 0.00 175.17 176.26 1xqn h LEU 81 N 11.08 0.00 -0.22 -1.34 3.38 -1.95 -1.24 115.31 125.02 1xqn h LEU 81 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1xqn h LEU 81 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1xqn h LEU 81 CO 1.11 0.00 0.00 0.47 0.09 0.00 0.00 178.44 180.11 1xqn n ASP 82 N -2.91 0.29 -0.42 -0.43 8.00 -1.26 -0.36 116.55 119.46 1xqn n ASP 82 Ca -0.01 0.56 0.11 0.00 0.71 0.00 0.00 54.79 56.17 1xqn n ASP 82 Cb 0.19 -0.63 0.08 0.00 -0.02 0.00 0.00 41.12 40.74 1xqn n ASP 82 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1xqn n ASN 83 N -1.81 1.77 -0.04 -2.24 3.02 -0.47 -4.53 115.26 110.95 1xqn n ASN 83 Ca 0.04 -1.35 -0.09 0.00 -0.03 0.00 0.00 54.58 53.15 1xqn n ASN 83 Cb 0.24 0.42 -0.03 0.00 -0.61 0.00 0.00 39.78 39.80 1xqn n ASN 83 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1xqn n VAL 84 N -0.22 0.48 -3.92 2.41 0.31 -0.69 -5.07 118.33 111.64 1xqn n VAL 84 Ca 0.10 -0.13 -0.25 0.00 -0.01 0.00 0.00 64.34 64.05 1xqn n VAL 84 Cb 0.44 -1.52 -0.03 0.00 -0.91 0.00 0.00 33.84 31.82 1xqn n VAL 84 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1xqn s LEU 85 N -6.36 4.32 0.93 7.52 1.43 0.52 -4.99 118.68 122.06 1xqn s LEU 85 Ca -0.12 0.18 -0.12 0.00 -1.03 0.00 0.00 54.13 53.04 1xqn s LEU 85 Cb 0.04 -2.93 0.15 0.00 0.03 0.00 0.00 46.19 43.48 1xqn s LEU 85 CO 0.16 0.02 1.11 -2.16 0.23 0.00 0.00 176.35 175.70 1xqn s PRO 86 N -3.39 1.00 0.41 1.29 0.04 -1.26 -4.66 135.00 128.43 1xqn s PRO 86 Ca 0.35 0.52 0.10 0.00 0.04 0.00 0.00 61.00 62.02 1xqn s PRO 86 Cb -0.11 -1.80 0.88 0.00 0.04 0.00 0.00 34.50 33.51 1xqn s PRO 86 CO 0.29 -2.34 1.98 1.49 0.04 0.00 0.00 177.00 178.45 1xqn h GLU 87 N -1.61 0.24 -5.95 4.56 4.81 -1.94 -3.41 114.58 111.28 1xqn h GLU 87 Ca -0.51 -0.04 -0.68 0.00 -0.13 0.00 0.00 59.36 57.99 1xqn h GLU 87 Cb 1.31 -0.04 -0.26 0.00 0.63 0.00 0.00 28.75 30.39 1xqn h GLU 87 CO 0.58 0.31 -0.80 -1.58 -0.73 0.00 0.00 179.01 176.79 1xqn s TRP 88 N -4.90 2.66 0.24 0.92 0.52 -1.26 -1.74 118.94 115.38 1xqn s TRP 88 Ca -0.06 -0.45 0.01 0.00 0.02 0.00 0.00 56.10 55.63 1xqn s TRP 88 Cb 0.16 -1.68 -0.04 0.00 -1.15 0.00 0.00 33.47 30.76 1xqn s TRP 88 CO 0.72 -0.04 0.17 0.14 0.02 0.00 0.00 176.95 177.96 1xqn s VAL 89 N -0.26 0.01 0.20 4.03 -7.23 0.07 -4.29 120.40 112.93 1xqn s VAL 89 Ca 0.01 -2.00 0.11 0.00 -1.81 0.00 0.00 61.98 58.29 1xqn s VAL 89 Cb -0.13 -2.50 -0.04 0.00 0.56 0.00 0.00 36.38 34.26 1xqn s VAL 89 CO 0.03 0.00 -0.18 -0.13 -0.31 0.00 0.00 175.10 174.50 1xqn s ARG 90 N -3.97 1.73 0.11 4.82 0.52 -0.30 0.19 118.95 122.04 1xqn s ARG 90 Ca 0.39 -1.47 0.10 0.00 -0.52 0.00 0.00 55.73 54.23 1xqn s ARG 90 Cb 0.06 -1.95 -0.04 0.00 0.52 0.00 0.00 34.95 33.54 1xqn s ARG 90 CO 0.16 0.40 -0.22 0.14 0.02 0.00 0.00 175.30 175.80 1xqn s VAL 91 N -1.79 2.53 0.29 3.52 -7.23 -1.26 -1.43 120.40 115.03 1xqn s VAL 91 Ca 0.23 -1.56 -0.17 0.00 -1.81 0.00 0.00 61.98 58.67 1xqn s VAL 91 Cb -0.08 -2.12 0.06 0.00 0.56 0.00 0.00 36.38 34.81 1xqn s VAL 91 CO 0.12 0.15 0.87 0.61 -0.31 0.00 0.00 175.10 176.54 1xqn n GLY 92 N 1.03 0.84 3.28 2.32 0.00 -0.15 -1.36 105.19 111.16 1xqn n GLY 92 Ca -0.17 -1.20 -0.30 0.00 0.00 0.00 0.00 46.02 44.35 1xqn n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xqn s LEU 93 N 0.00 2.05 0.09 0.99 1.43 -0.10 -0.45 118.68 122.68 1xqn s LEU 93 Ca 0.18 -0.45 0.04 0.00 -1.03 0.00 0.00 54.13 52.87 1xqn s LEU 93 Cb -0.04 -1.28 -0.03 0.00 0.03 0.00 0.00 46.19 44.87 1xqn s LEU 93 CO 0.09 0.29 -0.11 -0.55 0.23 0.00 0.00 176.35 176.30 1xqn s SER 94 N -0.52 1.44 0.14 2.29 0.15 0.18 -1.00 113.70 116.37 1xqn s SER 94 Ca 0.08 -0.75 -0.20 0.00 0.70 0.00 0.00 55.95 55.78 1xqn s SER 94 Cb -0.10 -0.00 0.05 0.00 -1.71 0.00 0.00 66.02 64.26 1xqn s SER 94 CO -0.00 -0.22 0.51 0.00 1.20 0.00 0.00 173.24 174.73 1xqn s ALA 95 N -2.12 -1.31 0.18 5.45 0.00 -0.69 -0.39 121.76 122.89 1xqn s ALA 95 Ca 0.03 0.28 -0.15 0.00 0.00 0.00 0.00 51.96 52.11 1xqn s ALA 95 Cb -0.05 0.77 0.02 0.00 0.00 0.00 0.00 23.12 23.86 1xqn s ALA 95 CO 0.01 -0.70 0.46 -1.54 0.00 0.00 0.00 175.76 173.98 1xqn s SER 96 N -2.71 -0.19 0.16 0.00 1.04 -1.13 -2.04 113.70 108.83 1xqn s SER 96 Ca 0.01 -0.55 0.00 0.00 0.48 0.00 0.00 55.95 55.89 1xqn s SER 96 Cb 0.00 0.54 -0.04 0.00 0.10 0.00 0.00 66.02 66.61 1xqn s SER 96 CO -0.12 -1.00 0.04 0.42 0.98 0.00 0.00 173.24 173.56 1xqn s THR 97 N -3.89 0.37 0.00 2.02 -4.23 0.01 -0.94 115.64 108.99 1xqn s THR 97 Ca 0.10 -1.95 0.00 0.00 -1.18 0.00 0.00 61.69 58.66 1xqn s THR 97 Cb 0.00 -2.14 0.00 0.00 1.34 0.00 0.00 72.50 71.70 1xqn s THR 97 CO -0.03 -0.41 0.00 0.61 -0.54 0.00 0.00 174.62 174.25 1xqn n GLY 98 N -0.19 3.87 0.14 3.99 0.00 -1.26 -0.78 105.19 110.95 1xqn n GLY 98 Ca -0.05 -0.45 0.01 0.00 0.00 0.00 0.00 46.02 45.53 1xqn n GLY 98 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1xqn h LEU 99 N 0.00 0.00-10.09 0.99 3.38 -1.98 0.21 115.31 107.82 1xqn h LEU 99 Ca 0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.45 1xqn h LEU 99 Cb 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1xqn h LEU 99 CO 0.00 0.57 -0.34 -0.31 0.09 0.00 0.00 178.44 178.45 1xqn s TYR 100 N -3.18 3.48 0.22 1.13 1.51 -1.26 -4.91 117.35 114.35 1xqn s TYR 100 Ca 0.02 0.30 -0.09 0.00 -1.01 0.00 0.00 57.07 56.29 1xqn s TYR 100 Cb 0.10 -1.82 -0.02 0.00 -0.11 0.00 0.00 41.96 40.11 1xqn s TYR 100 CO 0.74 0.37 0.35 -1.59 -1.11 0.00 0.00 175.55 174.31 1xqn s LYS 101 N -3.46 1.40 -0.07 -0.62 -2.85 -1.24 -4.43 119.74 108.47 1xqn s LYS 101 Ca 0.38 -1.36 -0.31 0.00 -1.00 0.00 0.00 55.97 53.68 1xqn s LYS 101 Cb -0.11 0.40 0.11 0.00 -2.06 0.00 0.00 37.83 36.18 1xqn s LYS 101 CO 0.30 -0.54 1.04 -1.83 0.10 0.00 0.00 175.35 174.41 1xqn s GLU 102 N -4.06 0.63 0.37 1.78 -1.05 -0.93 -2.93 118.70 112.50 1xqn s GLU 102 Ca 0.27 -0.25 -0.23 0.00 -0.15 0.00 0.00 54.97 54.61 1xqn s GLU 102 Cb 0.02 0.28 -0.10 0.00 -0.44 0.00 0.00 34.13 33.88 1xqn s GLU 102 CO 0.09 -0.28 0.93 0.95 0.95 0.00 0.00 175.26 177.90 1xqn s THR 103 N -2.82 4.33 -0.56 1.83 -4.23 0.12 -4.70 115.64 109.61 1xqn s THR 103 Ca 0.08 1.61 0.07 0.00 -1.18 0.00 0.00 61.69 62.26 1xqn s THR 103 Cb -0.01 -3.79 0.28 0.00 1.34 0.00 0.00 72.50 70.32 1xqn s THR 103 CO -0.06 -0.09 0.75 0.59 -0.54 0.00 0.00 174.62 175.27 1xqn n ASN 104 N -0.04 3.04 -4.69 3.99 4.13 -1.26 -3.48 115.26 116.94 1xqn n ASN 104 Ca 0.04 -3.33 -0.40 0.00 1.68 0.00 0.00 54.58 52.58 1xqn n ASN 104 Cb 0.52 -0.64 -0.05 0.00 -1.54 0.00 0.00 39.78 38.07 1xqn n ASN 104 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1xqn s THR 105 N -2.69 5.05 -0.21 3.41 2.01 -1.03 -1.66 115.64 120.52 1xqn s THR 105 Ca 0.41 1.27 -0.07 0.00 0.31 0.00 0.00 61.69 63.61 1xqn s THR 105 Cb 0.20 -3.97 -0.03 0.00 0.01 0.00 0.00 72.50 68.70 1xqn s THR 105 CO -0.06 0.19 0.06 -0.63 -0.69 0.00 0.00 174.62 173.49 1xqn s ILE 106 N 1.30 4.51 -0.14 1.82 -1.09 0.95 -0.24 121.20 128.31 1xqn s ILE 106 Ca 0.32 -0.12 0.19 0.00 -2.23 0.00 0.00 60.65 58.81 1xqn s ILE 106 Cb -0.16 -3.07 -0.27 0.00 -1.58 0.00 0.00 42.46 37.38 1xqn s ILE 106 CO 0.13 0.40 0.26 0.18 -1.23 0.00 0.00 174.94 174.68 1xqn n LEU 107 N 4.23 0.06 -3.58 2.97 4.32 0.08 -1.75 117.00 123.33 1xqn n LEU 107 Ca -0.16 0.03 -0.14 0.00 -0.02 0.00 0.00 56.01 55.71 1xqn n LEU 107 Cb 0.52 0.30 -0.05 0.00 -1.62 0.00 0.00 43.42 42.57 1xqn n LEU 107 CO 0.33 0.31 0.28 -0.94 -1.22 0.00 0.00 177.39 176.15 1xqn s SER 108 N -5.19 -0.44 -0.21 -1.43 1.04 -1.21 -4.40 113.70 101.87 1xqn s SER 108 Ca -0.09 0.18 -0.10 0.00 0.48 0.00 0.00 55.95 56.43 1xqn s SER 108 Cb 0.09 0.49 0.08 0.00 0.10 0.00 0.00 66.02 66.77 1xqn s SER 108 CO 0.86 -0.71 0.48 0.86 0.98 0.00 0.00 173.24 175.70 1xqn s TRP 109 N -2.39 -0.79 0.11 5.02 -0.00 -0.26 -1.65 118.94 118.97 1xqn s TRP 109 Ca -0.06 1.58 0.04 0.00 -0.00 0.00 0.00 56.10 57.66 1xqn s TRP 109 Cb -0.01 0.38 -0.04 0.00 -0.00 0.00 0.00 33.47 33.81 1xqn s TRP 109 CO -0.01 -0.44 -0.11 -1.54 -0.00 0.00 0.00 176.95 174.85 1xqn s SER 110 N 1.92 1.61 -0.19 5.86 1.04 0.48 -0.15 113.70 124.26 1xqn s SER 110 Ca -0.07 -0.82 -0.16 0.00 0.48 0.00 0.00 55.95 55.37 1xqn s SER 110 Cb -0.09 -0.01 0.05 0.00 0.10 0.00 0.00 66.02 66.07 1xqn s SER 110 CO -0.14 -0.24 0.50 0.12 0.98 0.00 0.00 173.24 174.46 1xqn s PHE 111 N -2.42 -0.59 -0.04 5.02 5.36 -0.40 -1.26 117.98 123.65 1xqn s PHE 111 Ca 0.07 1.39 0.00 0.00 -0.96 0.00 0.00 56.93 57.43 1xqn s PHE 111 Cb -0.03 0.23 0.03 0.00 -0.34 0.00 0.00 43.02 42.90 1xqn s PHE 111 CO 0.01 -0.29 -0.01 0.99 -1.46 0.00 0.00 175.22 174.46 1xqn s THR 112 N 0.50 0.28 0.01 0.12 2.01 -0.03 -1.55 115.64 117.00 1xqn s THR 112 Ca -0.02 0.06 0.06 0.00 0.31 0.00 0.00 61.69 62.10 1xqn s THR 112 Cb -0.04 -0.38 -0.02 0.00 0.01 0.00 0.00 72.50 72.07 1xqn s THR 112 CO -0.02 0.19 -0.19 -0.55 -0.69 0.00 0.00 174.62 173.35 1xqn s SER 113 N 1.22 2.26 0.01 3.53 0.15 0.27 -0.90 113.70 120.24 1xqn s SER 113 Ca -0.07 -0.42 0.02 0.00 0.70 0.00 0.00 55.95 56.18 1xqn s SER 113 Cb -0.13 -0.22 -0.01 0.00 -1.71 0.00 0.00 66.02 63.95 1xqn s SER 113 CO -0.02 0.19 -0.07 -0.54 1.20 0.00 0.00 173.24 174.00 1xqn s LYS 114 N -0.78 0.54 -0.21 5.44 1.02 -0.16 -0.93 119.74 124.65 1xqn s LYS 114 Ca 0.07 -0.37 -0.00 0.00 0.02 0.00 0.00 55.97 55.69 1xqn s LYS 114 Cb -0.08 -0.48 0.06 0.00 -0.52 0.00 0.00 37.83 36.81 1xqn s LYS 114 CO 0.00 0.12 -0.03 -0.51 -0.92 0.00 0.00 175.35 174.02 1xqn s LEU 115 N -0.51 2.03 -0.25 3.17 1.43 0.48 -1.60 118.68 123.43 1xqn s LEU 115 Ca -0.00 -0.98 -0.09 0.00 -1.03 0.00 0.00 54.13 52.02 1xqn s LEU 115 Cb -0.04 -0.98 -0.04 0.00 0.03 0.00 0.00 46.19 45.15 1xqn s LEU 115 CO -0.00 -0.24 0.13 -0.54 0.23 0.00 0.00 176.35 175.93 1xqn s LYS 116 N 1.56 3.86 0.34 1.70 1.02 -0.37 -0.99 119.74 126.85 1xqn s LYS 116 Ca -0.03 -0.37 -0.00 0.00 0.02 0.00 0.00 55.97 55.58 1xqn s LYS 116 Cb -0.18 -3.48 0.07 0.00 -0.52 0.00 0.00 37.83 33.72 1xqn s LYS 116 CO -0.07 -0.11 0.47 -1.13 -0.92 0.00 0.00 175.35 173.59 1xqn n SER 117 N 4.77 0.64 -0.78 2.83 3.41 -0.14 0.50 113.62 124.85 1xqn n SER 117 Ca -0.15 -1.54 0.12 0.00 -0.26 0.00 0.00 58.87 57.04 1xqn n SER 117 Cb 0.52 -0.30 0.31 0.00 -0.26 0.00 0.00 64.21 64.47 1xqn n SER 117 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1xqn n ASN 118 N -2.96 2.38 -4.81 4.04 2.04 -1.14 -4.56 115.26 110.25 1xqn n ASN 118 Ca 0.08 -1.80 -0.30 0.00 -0.44 0.00 0.00 54.58 52.12 1xqn n ASN 118 Cb 0.28 -0.09 0.08 0.00 -2.53 0.00 0.00 39.78 37.52 1xqn n ASN 118 CO 0.00 0.00 0.00 -0.44 -0.44 0.00 0.00 177.26 176.38 1xqn s SER 119 N -1.76 4.77 -0.62 0.53 0.01 -1.26 -4.78 113.70 110.58 1xqn s SER 119 Ca 0.34 1.40 -0.40 0.00 1.31 0.00 0.00 55.95 58.61 1xqn s SER 119 Cb 0.20 -2.18 -0.19 0.00 0.21 0.00 0.00 66.02 64.06 1xqn s SER 119 CO 0.30 -1.81 2.30 0.41 0.41 0.00 0.00 173.24 174.85 1xqn n THR 120 N -3.34 0.01 0.00 1.44 -1.04 -1.26 -2.15 114.28 107.94 1xqn n THR 120 Ca 0.07 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 1xqn n THR 120 Cb 0.55 -0.62 0.00 0.00 -1.82 0.00 0.00 70.33 68.44 1xqn n THR 120 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1xqn n HIS 121 N 8.60 0.00 -3.03 -1.42 -0.00 -1.26 -4.76 115.22 113.36 1xqn n HIS 121 Ca 0.57 0.00 -0.06 0.00 -0.00 0.00 0.00 57.72 58.23 1xqn n HIS 121 Cb 0.01 0.00 0.01 0.00 -0.00 0.00 0.00 29.99 30.00 1xqn n HIS 121 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 1xqn n GLU 122 N 0.00 -1.76 -3.32 -1.40 1.02 -0.91 -4.13 120.64 110.13 1xqn n GLU 122 Ca 0.00 1.71 -0.38 0.00 -0.02 0.00 0.00 57.16 58.46 1xqn n GLU 122 Cb 0.00 -5.45 -0.06 0.00 -0.02 0.00 0.00 31.44 25.91 1xqn n GLU 122 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1xqn s THR 123 N -2.80 5.08 -0.05 2.62 2.01 -1.26 -0.97 115.64 120.27 1xqn s THR 123 Ca 0.11 1.01 0.05 0.00 0.31 0.00 0.00 61.69 63.17 1xqn s THR 123 Cb -0.03 -3.83 -0.01 0.00 0.01 0.00 0.00 72.50 68.65 1xqn s THR 123 CO 0.77 0.40 -0.20 0.20 -0.69 0.00 0.00 174.62 175.10 1xqn s ASN 124 N 0.05 2.46 0.01 3.53 0.01 -0.16 -5.00 114.94 115.84 1xqn s ASN 124 Ca 0.27 -0.41 -0.15 0.00 -0.71 0.00 0.00 52.86 51.86 1xqn s ASN 124 Cb -0.16 -0.70 0.02 0.00 0.41 0.00 0.00 41.25 40.82 1xqn s ASN 124 CO 0.13 0.18 0.33 0.00 -1.51 0.00 0.00 177.10 176.23 1xqn s ALA 125 N -0.01 -0.80 -0.04 0.60 0.00 -1.26 -0.39 121.76 119.87 1xqn s ALA 125 Ca -0.04 0.25 0.03 0.00 0.00 0.00 0.00 51.96 52.20 1xqn s ALA 125 Cb -0.12 0.17 0.00 0.00 0.00 0.00 0.00 23.12 23.17 1xqn s ALA 125 CO 0.03 -0.33 -0.11 -1.17 0.00 0.00 0.00 175.76 174.18 1xqn s LEU 126 N -1.62 1.78 -0.04 0.00 2.96 -0.11 -5.00 118.68 116.65 1xqn s LEU 126 Ca -0.10 -0.24 -0.03 0.00 -0.22 0.00 0.00 54.13 53.54 1xqn s LEU 126 Cb -0.03 -0.68 0.02 0.00 0.50 0.00 0.00 46.19 46.00 1xqn s LEU 126 CO 0.01 0.08 0.10 -2.28 -1.32 0.00 0.00 176.35 172.94 1xqn s HIS 127 N 0.25 -0.11 0.03 5.38 5.65 -1.26 -0.57 115.29 124.66 1xqn s HIS 127 Ca -0.05 0.31 0.01 0.00 0.25 0.00 0.00 55.06 55.57 1xqn s HIS 127 Cb -0.10 -0.02 -0.02 0.00 -1.18 0.00 0.00 32.58 31.25 1xqn s HIS 127 CO 0.01 -0.09 -0.05 -0.59 -0.65 0.00 0.00 174.74 173.38 1xqn s PHE 128 N 0.45 0.41 -0.06 3.88 -0.12 -0.59 -5.01 117.98 116.94 1xqn s PHE 128 Ca -0.03 -0.50 -0.02 0.00 -0.05 0.00 0.00 56.93 56.32 1xqn s PHE 128 Cb -0.05 -0.27 0.04 0.00 -0.63 0.00 0.00 43.02 42.11 1xqn s PHE 128 CO -0.02 -0.14 0.10 1.41 -0.05 0.00 0.00 175.22 176.52 1xqn s MET 129 N -1.45 -0.02 -0.21 1.99 1.75 -1.26 -1.28 119.30 118.82 1xqn s MET 129 Ca -0.13 0.42 -0.04 0.00 -1.25 0.00 0.00 55.69 54.69 1xqn s MET 129 Cb -0.10 -0.37 -0.02 0.00 2.84 0.00 0.00 34.83 37.19 1xqn s MET 129 CO -0.00 -0.29 -0.02 -0.06 -0.65 0.00 0.00 175.02 173.99 1xqn s PHE 130 N 2.00 2.99 -0.46 4.11 0.40 0.79 -4.93 117.98 122.88 1xqn s PHE 130 Ca 0.02 -0.66 0.04 0.00 -0.60 0.00 0.00 56.93 55.73 1xqn s PHE 130 Cb -0.12 -2.09 0.02 0.00 0.51 0.00 0.00 43.02 41.34 1xqn s PHE 130 CO -0.04 -0.37 0.52 0.09 0.70 0.00 0.00 175.22 176.12 1xqn n ASN 131 N 4.46 1.07 -3.74 1.36 3.02 -1.26 -1.10 115.26 119.06 1xqn n ASN 131 Ca -0.18 -1.03 -0.11 0.00 -0.03 0.00 0.00 54.58 53.23 1xqn n ASN 131 Cb 0.51 0.25 -0.07 0.00 -0.61 0.00 0.00 39.78 39.87 1xqn n ASN 131 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xqn s GLN 132 N -0.62 0.85 -0.10 3.52 -2.07 -1.26 -4.79 119.66 115.18 1xqn s GLN 132 Ca 0.04 -0.55 -0.00 0.00 -1.82 0.00 0.00 55.36 53.03 1xqn s GLN 132 Cb 0.04 0.37 0.02 0.00 -1.09 0.00 0.00 33.01 32.35 1xqn s GLN 132 CO 0.08 -0.28 -0.06 -0.06 -1.32 0.00 0.00 175.29 173.65 1xqn s PHE 133 N -2.77 1.26 0.62 9.60 0.40 -0.18 -5.00 117.98 121.91 1xqn s PHE 133 Ca -0.03 -0.57 -0.00 0.00 -0.60 0.00 0.00 56.93 55.72 1xqn s PHE 133 Cb -0.00 -1.09 0.07 0.00 0.51 0.00 0.00 43.02 42.50 1xqn s PHE 133 CO -0.05 -0.43 0.87 -1.54 0.70 0.00 0.00 175.22 174.77 1xqn s SER 134 N 1.62 4.93 0.46 1.36 1.04 -1.26 -2.51 113.70 119.34 1xqn s SER 134 Ca 0.02 -0.07 0.16 0.00 0.48 0.00 0.00 55.95 56.55 1xqn s SER 134 Cb -0.13 -0.63 1.12 0.00 0.10 0.00 0.00 66.02 66.48 1xqn s SER 134 CO -0.06 -1.42 1.98 0.11 0.98 0.00 0.00 173.24 174.82 1xqn h LYS 135 N -0.20 0.30 -2.46 4.02 6.56 -1.85 -3.17 116.57 119.78 1xqn h LYS 135 Ca -0.41 -0.02 -0.60 0.00 -1.06 0.00 0.00 60.65 58.57 1xqn h LYS 135 Cb 1.29 -0.07 -0.41 0.00 -0.57 0.00 0.00 32.23 32.47 1xqn h LYS 135 CO 0.49 0.20 -0.75 -3.47 -2.06 0.00 0.00 179.45 173.87 1xqn n ASP 136 N -4.46 2.15 -4.51 0.86 2.03 -1.26 -4.76 116.55 106.60 1xqn n ASP 136 Ca 0.10 -3.05 -0.43 0.00 0.52 0.00 0.00 54.79 51.93 1xqn n ASP 136 Cb 0.44 -0.67 -0.01 0.00 -0.72 0.00 0.00 41.12 40.15 1xqn n ASP 136 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 1xqn s GLN 137 N -1.50 3.80 0.47 -0.67 2.00 -1.20 -4.86 119.66 117.71 1xqn s GLN 137 Ca 0.33 -1.84 0.32 0.00 -2.00 0.00 0.00 55.36 52.17 1xqn s GLN 137 Cb 0.08 -5.21 1.53 0.00 0.80 0.00 0.00 33.01 30.21 1xqn s GLN 137 CO -0.11 -2.00 1.97 0.87 -0.50 0.00 0.00 175.29 175.52 1xqn h LYS 138 N 8.40 0.00 -0.48 1.67 1.57 -1.95 -1.64 116.57 124.14 1xqn h LYS 138 Ca 0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1xqn h LYS 138 Cb 0.95 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.26 1xqn h LYS 138 CO 1.30 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 179.78 1xqn n ASP 139 N -2.73 2.55 -4.31 0.86 5.75 -1.26 -4.80 116.55 112.60 1xqn n ASP 139 Ca -0.00 -2.06 -0.32 0.00 -0.01 0.00 0.00 54.79 52.40 1xqn n ASP 139 Cb 0.17 -0.33 -0.16 0.00 -1.03 0.00 0.00 41.12 39.77 1xqn n ASP 139 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1xqn s LEU 140 N -1.07 2.25 -0.42 -2.12 1.43 -0.62 -1.02 118.68 117.12 1xqn s LEU 140 Ca 0.30 -0.44 -0.17 0.00 -1.03 0.00 0.00 54.13 52.79 1xqn s LEU 140 Cb 0.17 -1.43 0.02 0.00 0.03 0.00 0.00 46.19 44.98 1xqn s LEU 140 CO 0.19 0.25 0.44 -0.63 0.23 0.00 0.00 176.35 176.83 1xqn s ILE 141 N -0.21 5.09 -0.03 -0.59 1.01 0.27 -4.89 121.20 121.84 1xqn s ILE 141 Ca -0.02 -0.32 -0.17 0.00 0.00 0.00 0.00 60.65 60.14 1xqn s ILE 141 Cb -0.13 -4.03 -0.05 0.00 0.01 0.00 0.00 42.46 38.25 1xqn s ILE 141 CO 0.03 -0.41 0.47 -0.76 0.00 0.00 0.00 174.94 174.27 1xqn s LEU 142 N 2.14 4.41 0.07 2.97 1.43 -1.26 -1.02 118.68 127.42 1xqn s LEU 142 Ca 0.12 0.98 0.07 0.00 -1.03 0.00 0.00 54.13 54.27 1xqn s LEU 142 Cb -0.17 -2.70 -0.03 0.00 0.03 0.00 0.00 46.19 43.32 1xqn s LEU 142 CO 0.14 0.19 -0.18 -1.10 0.23 0.00 0.00 176.35 175.63 1xqn s GLN 143 N -0.44 1.08 7.31 1.70 -0.21 0.43 -4.99 119.66 124.53 1xqn s GLN 143 Ca 0.26 -0.99 0.00 0.00 0.02 0.00 0.00 55.36 54.65 1xqn s GLN 143 Cb -0.17 -1.21 0.00 0.00 1.00 0.00 0.00 33.01 32.63 1xqn s GLN 143 CO 0.13 0.29 0.00 0.41 -2.12 0.00 0.00 175.29 174.01 1xqn n GLY 144 N 1.46 2.62 0.48 3.09 0.00 -1.26 -1.33 105.19 110.24 1xqn n GLY 144 Ca -0.19 -0.29 0.11 0.00 0.00 0.00 0.00 46.02 45.65 1xqn n GLY 144 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xqn n ASP 145 N 5.39 1.44 -4.75 1.61 8.00 0.48 -4.94 116.55 123.78 1xqn n ASP 145 Ca 0.00 -1.62 -0.41 0.00 0.71 0.00 0.00 54.79 53.47 1xqn n ASP 145 Cb 0.00 -0.07 -0.02 0.00 -0.02 0.00 0.00 41.12 41.01 1xqn n ASP 145 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xqn s ALA 146 N -1.86 3.70 0.07 2.24 0.00 -1.10 -4.39 121.76 120.42 1xqn s ALA 146 Ca 0.34 1.48 0.02 0.00 0.00 0.00 0.00 51.96 53.80 1xqn s ALA 146 Cb 0.18 -3.61 -0.03 0.00 0.00 0.00 0.00 23.12 19.65 1xqn s ALA 146 CO 0.28 -0.89 -0.08 0.95 0.00 0.00 0.00 175.76 176.02 1xqn s THR 147 N -0.02 0.67 0.17 0.00 -4.23 -0.57 -4.73 115.64 106.93 1xqn s THR 147 Ca 0.62 -1.50 0.08 0.00 -1.18 0.00 0.00 61.69 59.70 1xqn s THR 147 Cb -0.46 -1.15 -0.04 0.00 1.34 0.00 0.00 72.50 72.19 1xqn s THR 147 CO 0.46 -0.60 -0.17 0.42 -0.54 0.00 0.00 174.62 174.19 1xqn s THR 148 N -2.43 1.77 0.00 3.99 -4.23 -1.26 -0.81 115.64 112.67 1xqn s THR 148 Ca 0.01 -1.98 0.00 0.00 -1.18 0.00 0.00 61.69 58.54 1xqn s THR 148 Cb -0.03 -1.87 0.00 0.00 1.34 0.00 0.00 72.50 71.94 1xqn s THR 148 CO -0.02 -0.40 0.00 0.61 -0.54 0.00 0.00 174.62 174.28 1xqn n GLY 149 N 0.13 2.74 3.61 3.99 0.00 -0.80 -4.08 105.19 110.78 1xqn n GLY 149 Ca -0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.47 1xqn n GLY 149 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xqn s THR 150 N -2.52 3.70 -1.64 2.61 2.01 -1.25 -2.49 115.64 116.06 1xqn s THR 150 Ca 0.00 0.73 0.00 0.00 0.31 0.00 0.00 61.69 62.73 1xqn s THR 150 Cb 0.00 -3.86 0.00 0.00 0.01 0.00 0.00 72.50 68.65 1xqn s THR 150 CO 0.00 -0.49 0.00 0.47 -0.69 0.00 0.00 174.62 173.91 1xqn n ASP 151 N 9.24 -5.15 -0.61 3.53 8.00 -1.26 -1.64 116.55 128.65 1xqn n ASP 151 Ca 0.19 0.15 -0.08 0.00 0.71 0.00 0.00 54.79 55.76 1xqn n ASP 151 Cb 0.47 -4.38 -0.03 0.00 -0.02 0.00 0.00 41.12 37.16 1xqn n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xqn n GLY 152 N -0.80 0.94 3.75 0.44 0.00 -1.04 -4.99 105.19 103.50 1xqn n GLY 152 Ca -0.21 -0.32 -0.23 0.00 0.00 0.00 0.00 46.02 45.26 1xqn n GLY 152 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1xqn s ASN 153 N -2.59 4.61 -0.34 1.61 0.01 -0.65 -1.01 114.94 116.59 1xqn s ASN 153 Ca 0.00 -0.90 -0.11 0.00 -0.71 0.00 0.00 52.86 51.13 1xqn s ASN 153 Cb 0.00 -0.59 -0.00 0.00 0.41 0.00 0.00 41.25 41.06 1xqn s ASN 153 CO 0.00 -0.45 0.20 -0.22 -1.51 0.00 0.00 177.10 175.11 1xqn s LEU 154 N -3.91 4.40 -0.51 0.60 2.96 -0.72 -1.91 118.68 119.60 1xqn s LEU 154 Ca 0.41 -0.59 -0.16 0.00 -0.22 0.00 0.00 54.13 53.57 1xqn s LEU 154 Cb 0.00 -2.06 0.10 0.00 0.50 0.00 0.00 46.19 44.74 1xqn s LEU 154 CO 0.23 -0.25 0.45 -1.61 -1.32 0.00 0.00 176.35 173.85 1xqn s GLU 155 N 1.64 2.99 0.25 1.98 0.41 0.01 -0.03 118.70 125.95 1xqn s GLU 155 Ca 0.05 -1.54 -0.03 0.00 -0.41 0.00 0.00 54.97 53.04 1xqn s GLU 155 Cb -0.18 -4.22 0.31 0.00 -1.78 0.00 0.00 34.13 28.26 1xqn s GLU 155 CO 0.08 -1.19 1.77 -0.07 -0.49 0.00 0.00 175.26 175.35 1xqn h LEU 156 N 8.84 0.82 -9.56 1.80 3.38 -1.58 -1.52 115.31 117.49 1xqn h LEU 156 Ca -0.29 -0.18 -0.60 0.00 0.09 0.00 0.00 57.88 56.90 1xqn h LEU 156 Cb 1.10 -0.22 -0.12 0.00 0.09 0.00 0.00 40.66 41.52 1xqn h LEU 156 CO 0.97 0.85 -0.63 0.42 0.09 0.00 0.00 178.44 180.13 1xqn s THR 157 N -5.10 2.40 0.22 0.22 -4.23 -1.26 -2.92 115.64 104.97 1xqn s THR 157 Ca -0.10 -2.05 -0.30 0.00 -1.18 0.00 0.00 61.69 58.05 1xqn s THR 157 Cb 0.15 -2.77 -0.10 0.00 1.34 0.00 0.00 72.50 71.12 1xqn s THR 157 CO 0.81 -0.17 1.47 -0.60 -0.54 0.00 0.00 174.62 175.60 1xqn s ARG 158 N -3.68 4.25 -0.04 3.99 6.06 -1.26 -4.77 118.95 123.50 1xqn s ARG 158 Ca 0.34 2.31 0.04 0.00 -2.50 0.00 0.00 55.73 55.92 1xqn s ARG 158 Cb 0.02 -3.13 -0.00 0.00 0.06 0.00 0.00 34.95 31.90 1xqn s ARG 158 CO 0.18 -0.47 -0.17 0.08 -2.50 0.00 0.00 175.30 172.42 1xqn s VAL 159 N 0.38 1.42 0.97 7.11 1.01 -1.26 -1.53 120.40 128.50 1xqn s VAL 159 Ca 0.63 -0.72 -0.12 0.00 0.00 0.00 0.00 61.98 61.77 1xqn s VAL 159 Cb -0.42 -1.22 0.17 0.00 0.00 0.00 0.00 36.38 34.91 1xqn s VAL 159 CO 0.39 0.41 1.11 -0.94 0.00 0.00 0.00 175.10 176.08 1xqn s SER 160 N 0.02 2.94 0.33 3.32 1.04 0.45 -4.87 113.70 116.94 1xqn s SER 160 Ca -0.03 1.07 0.06 0.00 0.48 0.00 0.00 55.95 57.52 1xqn s SER 160 Cb -0.11 -1.69 0.72 0.00 0.10 0.00 0.00 66.02 65.04 1xqn s SER 160 CO 0.02 -2.92 1.87 -1.28 0.98 0.00 0.00 173.24 171.91 1xqn h SER 161 N -1.75 0.75 1.36 7.02 0.87 -2.01 -0.49 113.55 119.29 1xqn h SER 161 Ca -0.53 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.07 1xqn h SER 161 Cb 1.33 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 63.18 1xqn h SER 161 CO 0.60 0.40 0.00 -0.55 -0.53 0.00 0.00 176.83 176.74 1xqn h ASN 162 N 0.80 0.00 0.00 6.23 -1.07 -2.05 -3.47 115.58 116.02 1xqn h ASN 162 Ca 0.45 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.82 1xqn h ASN 162 Cb 0.59 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.84 1xqn h ASN 162 CO -0.21 0.00 0.00 0.61 0.07 0.00 0.00 177.43 177.90 1xqn n GLY 163 N 1.01 0.76 3.72 9.14 0.00 -0.19 -5.09 105.19 114.54 1xqn n GLY 163 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1xqn n GLY 163 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xqn s SER 164 N -1.47 7.35 0.53 1.61 0.01 -1.26 -4.71 113.70 115.76 1xqn s SER 164 Ca 0.00 1.81 -0.20 0.00 1.31 0.00 0.00 55.95 58.87 1xqn s SER 164 Cb 0.00 -2.58 -0.06 0.00 0.21 0.00 0.00 66.02 63.59 1xqn s SER 164 CO 0.00 -0.23 1.16 -2.16 0.41 0.00 0.00 173.24 172.42 1xqn s PRO 165 N 0.56 3.36 0.05 12.44 0.04 -1.26 -0.41 135.00 149.78 1xqn s PRO 165 Ca 0.51 1.71 0.03 0.00 0.04 0.00 0.00 61.00 63.29 1xqn s PRO 165 Cb -0.24 -2.08 -0.04 0.00 0.04 0.00 0.00 34.50 32.18 1xqn s PRO 165 CO 0.30 -0.86 0.03 -0.65 0.04 0.00 0.00 177.00 175.85 1xqn s GLN 166 N -3.15 2.75 0.94 4.56 -1.52 -0.58 -4.85 119.66 117.80 1xqn s GLN 166 Ca 0.72 -0.70 -0.15 0.00 -1.95 0.00 0.00 55.36 53.28 1xqn s GLN 166 Cb -0.27 -2.65 0.18 0.00 -0.22 0.00 0.00 33.01 30.05 1xqn s GLN 166 CO 0.30 0.58 1.30 0.20 -0.25 0.00 0.00 175.29 177.42 1xqn s GLY 167 N -2.04 1.76 -1.49 3.09 0.00 -1.26 -4.43 107.32 102.94 1xqn s GLY 167 Ca 0.24 -1.15 -0.06 0.00 0.00 0.00 0.00 44.72 43.75 1xqn s GLY 167 CO 0.16 -0.42 0.59 1.44 0.00 0.00 0.00 173.10 174.88 1xqn n SER 168 N -3.69 -1.64 -4.34 1.64 7.64 0.73 -4.86 113.62 109.10 1xqn n SER 168 Ca 0.14 -0.97 -0.27 0.00 1.01 0.00 0.00 58.87 58.78 1xqn n SER 168 Cb 0.60 -3.14 -0.13 0.00 -1.01 0.00 0.00 64.21 60.52 1xqn n SER 168 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1xqn s SER 169 N -3.98 2.95 -0.11 6.43 0.15 -1.16 -4.96 113.70 113.02 1xqn s SER 169 Ca 0.27 -0.69 -0.07 0.00 0.70 0.00 0.00 55.95 56.15 1xqn s SER 169 Cb -0.14 -0.20 0.04 0.00 -1.71 0.00 0.00 66.02 64.01 1xqn s SER 169 CO 0.89 0.14 0.27 0.54 1.20 0.00 0.00 173.24 176.28 1xqn s VAL 170 N -1.05 -0.02 -0.03 4.45 0.11 -1.26 -0.81 120.40 121.79 1xqn s VAL 170 Ca 0.11 0.08 -0.21 0.00 -2.93 0.00 0.00 61.98 59.03 1xqn s VAL 170 Cb -0.10 -0.40 0.04 0.00 -1.53 0.00 0.00 36.38 34.39 1xqn s VAL 170 CO 0.05 0.03 0.44 -0.83 -3.33 0.00 0.00 175.10 171.46 1xqn s GLY 171 N 0.79 -0.31 0.04 6.54 0.00 -0.87 -0.39 107.32 113.13 1xqn s GLY 171 Ca -0.05 0.68 -0.04 0.00 0.00 0.00 0.00 44.72 45.31 1xqn s GLY 171 CO -0.05 0.42 0.05 0.50 0.00 0.00 0.00 173.10 174.02 1xqn s ARG 172 N -1.30 0.56 -0.08 2.90 0.52 -0.44 -1.71 118.95 119.41 1xqn s ARG 172 Ca -0.13 -0.85 0.00 0.00 -0.52 0.00 0.00 55.73 54.24 1xqn s ARG 172 Cb -0.03 0.21 0.02 0.00 0.52 0.00 0.00 34.95 35.67 1xqn s ARG 172 CO 0.06 -0.13 -0.06 0.00 0.02 0.00 0.00 175.30 175.19 1xqn s ALA 173 N -2.80 1.03 -0.02 2.13 0.00 -0.17 -0.43 121.76 121.50 1xqn s ALA 173 Ca -0.03 -0.31 0.06 0.00 0.00 0.00 0.00 51.96 51.68 1xqn s ALA 173 Cb -0.00 -0.68 -0.02 0.00 0.00 0.00 0.00 23.12 22.42 1xqn s ALA 173 CO -0.06 -0.20 -0.21 -0.51 0.00 0.00 0.00 175.76 174.79 1xqn s LEU 174 N 1.32 2.38 0.36 0.00 1.02 -0.19 -0.93 118.68 122.64 1xqn s LEU 174 Ca -0.04 -0.37 -0.28 0.00 0.02 0.00 0.00 54.13 53.46 1xqn s LEU 174 Cb -0.14 -1.44 -0.10 0.00 0.02 0.00 0.00 46.19 44.54 1xqn s LEU 174 CO -0.03 0.32 1.33 0.12 0.02 0.00 0.00 176.35 178.10 1xqn s PHE 175 N -0.71 2.91 0.20 0.29 5.36 -0.46 -0.57 117.98 125.00 1xqn s PHE 175 Ca 0.11 1.38 -0.09 0.00 -0.96 0.00 0.00 56.93 57.37 1xqn s PHE 175 Cb -0.10 -3.72 0.13 0.00 -0.34 0.00 0.00 43.02 39.00 1xqn s PHE 175 CO 0.01 -2.08 1.78 -0.92 -1.46 0.00 0.00 175.22 172.55 1xqn h TYR 176 N 3.07 1.07 -3.65 10.12 5.03 -1.42 -3.43 116.97 127.76 1xqn h TYR 176 Ca -0.49 -0.06 -0.51 0.00 2.58 0.00 0.00 58.73 60.25 1xqn h TYR 176 Cb 1.24 -0.33 -0.02 0.00 1.55 0.00 0.00 36.73 39.17 1xqn h TYR 176 CO 0.54 0.80 0.37 0.00 -1.32 0.00 0.00 178.16 178.55 1xqn s ALA 177 N -5.67 3.30 0.74 1.82 0.00 -1.26 -5.03 121.76 115.66 1xqn s ALA 177 Ca -0.13 0.63 -0.14 0.00 0.00 0.00 0.00 51.96 52.32 1xqn s ALA 177 Cb 0.15 -3.26 0.05 0.00 0.00 0.00 0.00 23.12 20.05 1xqn s ALA 177 CO 0.81 0.04 1.19 -2.14 0.00 0.00 0.00 175.76 175.66 1xqn s PRO 178 N -0.54 2.10 -0.05 0.00 0.02 -1.26 -4.80 135.00 130.46 1xqn s PRO 178 Ca 0.45 1.68 0.06 0.00 0.02 0.00 0.00 61.00 63.21 1xqn s PRO 178 Cb -0.25 -1.84 -0.01 0.00 0.02 0.00 0.00 34.50 32.42 1xqn s PRO 178 CO 0.32 -1.85 -0.23 0.08 -0.33 0.00 0.00 177.00 174.99 1xqn s VAL 179 N -2.12 1.85 -0.40 3.83 1.01 0.13 -4.94 120.40 119.75 1xqn s VAL 179 Ca 0.72 -0.96 -0.16 0.00 0.00 0.00 0.00 61.98 61.59 1xqn s VAL 179 Cb -0.27 -1.57 0.01 0.00 0.00 0.00 0.00 36.38 34.55 1xqn s VAL 179 CO 0.46 0.52 0.39 -2.28 0.00 0.00 0.00 175.10 174.19 1xqn s HIS 180 N -0.13 3.19 -1.15 5.22 2.46 -1.26 -0.75 115.29 122.87 1xqn s HIS 180 Ca -0.03 -0.35 0.13 0.00 0.47 0.00 0.00 55.06 55.29 1xqn s HIS 180 Cb -0.13 -2.77 -0.02 0.00 -0.13 0.00 0.00 32.58 29.53 1xqn s HIS 180 CO 0.03 -0.61 0.73 0.44 -2.47 0.00 0.00 174.74 172.85 1xqn n ILE 181 N 5.33 0.00 -3.81 0.89 -5.35 -0.71 -4.82 119.36 110.89 1xqn n ILE 181 Ca -0.09 -0.34 -0.12 0.00 -0.27 0.00 0.00 62.75 61.93 1xqn n ILE 181 Cb 0.48 1.14 -0.10 0.00 -1.74 0.00 0.00 39.64 39.42 1xqn n ILE 181 CO 0.00 0.00 0.00 0.86 -1.76 0.00 0.00 176.55 175.65 1xqn s TRP 182 N -1.71 -0.14 -0.05 4.28 -0.00 -1.22 -4.88 118.94 115.21 1xqn s TRP 182 Ca 0.10 0.28 -0.14 0.00 -0.00 0.00 0.00 56.10 56.34 1xqn s TRP 182 Cb 0.11 0.05 0.03 0.00 -0.00 0.00 0.00 33.47 33.65 1xqn s TRP 182 CO 0.36 -0.26 0.32 -2.00 -0.00 0.00 0.00 176.95 175.36 1xqn s GLU 183 N -0.83 0.57 0.54 5.86 -6.30 -1.26 -4.88 118.70 112.41 1xqn s GLU 183 Ca -0.09 0.04 0.23 0.00 -2.50 0.00 0.00 54.97 52.64 1xqn s GLU 183 Cb -0.05 0.26 1.44 0.00 0.00 0.00 0.00 34.13 35.79 1xqn s GLU 183 CO 0.02 -0.14 2.11 0.66 0.02 0.00 0.00 175.26 177.93 1xqn h SER 184 N 4.47 0.00 -0.00 -1.70 4.64 -2.03 -1.23 113.55 117.70 1xqn h SER 184 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1xqn h SER 184 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1xqn h SER 184 CO 0.36 0.00 -0.09 -1.54 -0.87 0.00 0.00 176.83 174.69 1xqn n SER 185 N -4.27 2.33 -4.70 4.97 3.41 -1.26 -4.94 113.62 109.15 1xqn n SER 185 Ca 0.01 -1.72 -0.42 0.00 -0.26 0.00 0.00 58.87 56.48 1xqn n SER 185 Cb 0.28 0.08 -0.03 0.00 -0.26 0.00 0.00 64.21 64.28 1xqn n SER 185 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xqn s ALA 186 N -2.11 3.57 -0.12 7.33 0.00 -0.47 -2.89 121.76 127.07 1xqn s ALA 186 Ca 0.29 0.99 0.20 0.00 0.00 0.00 0.00 51.96 53.44 1xqn s ALA 186 Cb 0.20 -3.56 -0.21 0.00 0.00 0.00 0.00 23.12 19.55 1xqn s ALA 186 CO 0.37 -0.74 0.59 1.33 0.00 0.00 0.00 175.76 177.31 1xqn n VAL 187 N 4.28 0.65 -3.71 0.00 0.24 0.18 -4.91 118.33 115.06 1xqn n VAL 187 Ca 0.12 -0.62 -0.12 0.00 -2.04 0.00 0.00 64.34 61.68 1xqn n VAL 187 Cb 0.43 -0.32 -0.10 0.00 -1.47 0.00 0.00 33.84 32.38 1xqn n VAL 187 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1xqn s VAL 188 N -3.17 -0.01 0.01 3.34 0.11 -1.12 -4.87 120.40 114.68 1xqn s VAL 188 Ca -0.06 0.05 0.07 0.00 -2.93 0.00 0.00 61.98 59.11 1xqn s VAL 188 Cb 0.10 -0.61 -0.02 0.00 -1.53 0.00 0.00 36.38 34.32 1xqn s VAL 188 CO 0.85 0.02 -0.21 0.00 -3.33 0.00 0.00 175.10 172.43 1xqn s ALA 189 N 0.86 1.76 0.08 1.54 0.00 -1.26 -1.24 121.76 123.50 1xqn s ALA 189 Ca -0.05 -0.97 -0.13 0.00 0.00 0.00 0.00 51.96 50.81 1xqn s ALA 189 Cb -0.06 -0.41 0.02 0.00 0.00 0.00 0.00 23.12 22.67 1xqn s ALA 189 CO -0.07 0.42 0.31 -1.54 0.00 0.00 0.00 175.76 174.88 1xqn s SER 190 N -0.77 -0.10 0.02 0.00 1.04 -0.63 0.01 113.70 113.28 1xqn s SER 190 Ca 0.08 -0.36 -0.10 0.00 0.48 0.00 0.00 55.95 56.05 1xqn s SER 190 Cb -0.08 0.39 0.01 0.00 0.10 0.00 0.00 66.02 66.44 1xqn s SER 190 CO 0.00 -0.73 0.21 0.72 0.98 0.00 0.00 173.24 174.43 1xqn s PHE 191 N -3.33 -0.02 -0.02 5.02 -0.12 -0.37 -0.99 117.98 118.15 1xqn s PHE 191 Ca 0.00 -0.08 -0.02 0.00 -0.05 0.00 0.00 56.93 56.78 1xqn s PHE 191 Cb 0.02 0.01 0.00 0.00 -0.63 0.00 0.00 43.02 42.42 1xqn s PHE 191 CO -0.08 -0.38 0.06 -1.83 -0.05 0.00 0.00 175.22 172.94 1xqn s GLU 192 N -1.90 0.13 0.03 1.99 -1.05 -0.08 -1.77 118.70 116.05 1xqn s GLU 192 Ca -0.10 -0.01 0.02 0.00 -0.15 0.00 0.00 54.97 54.73 1xqn s GLU 192 Cb -0.04 0.06 -0.02 0.00 -0.44 0.00 0.00 34.13 33.69 1xqn s GLU 192 CO -0.00 -0.02 -0.07 0.00 0.95 0.00 0.00 175.26 176.12 1xqn s ALA 193 N -0.21 0.49 -0.01 -0.84 0.00 0.34 -0.85 121.76 120.69 1xqn s ALA 193 Ca -0.03 -0.63 0.00 0.00 0.00 0.00 0.00 51.96 51.30 1xqn s ALA 193 Cb -0.02 0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.13 1xqn s ALA 193 CO 0.00 -0.01 -0.01 0.99 0.00 0.00 0.00 175.76 176.73 1xqn s THR 194 N -1.13 0.09 -0.02 0.00 2.01 -0.39 -0.57 115.64 115.64 1xqn s THR 194 Ca -0.08 -0.01 -0.07 0.00 0.31 0.00 0.00 61.69 61.83 1xqn s THR 194 Cb -0.08 -0.11 0.01 0.00 0.01 0.00 0.00 72.50 72.32 1xqn s THR 194 CO 0.00 0.05 0.15 0.72 -0.69 0.00 0.00 174.62 174.85 1xqn s PHE 195 N 0.18 -0.03 -0.07 4.92 -0.71 -0.62 -0.39 117.98 121.26 1xqn s PHE 195 Ca -0.01 0.03 0.01 0.00 -1.04 0.00 0.00 56.93 55.92 1xqn s PHE 195 Cb -0.03 -0.01 -0.03 0.00 -1.21 0.00 0.00 43.02 41.74 1xqn s PHE 195 CO -0.01 -0.24 -0.08 0.95 -1.34 0.00 0.00 175.22 174.50 1xqn s THR 196 N -1.01 3.59 0.05 -4.49 -4.23 -0.66 -1.18 115.64 107.71 1xqn s THR 196 Ca -0.11 -0.52 0.00 0.00 -1.18 0.00 0.00 61.69 59.88 1xqn s THR 196 Cb -0.06 -2.46 -0.03 0.00 1.34 0.00 0.00 72.50 71.29 1xqn s THR 196 CO 0.01 0.59 -0.04 0.72 -0.54 0.00 0.00 174.62 175.36 1xqn s PHE 197 N -0.71 0.54 -0.24 3.99 -0.71 -0.38 -0.74 117.98 119.74 1xqn s PHE 197 Ca 0.11 -0.80 -0.01 0.00 -1.04 0.00 0.00 56.93 55.19 1xqn s PHE 197 Cb -0.11 -0.36 0.07 0.00 -1.21 0.00 0.00 43.02 41.41 1xqn s PHE 197 CO 0.01 -0.24 0.00 -1.17 -1.34 0.00 0.00 175.22 172.49 1xqn s LEU 198 N -2.33 2.15 -0.29 -1.99 0.20 0.66 -0.94 118.68 116.14 1xqn s LEU 198 Ca -0.01 -1.17 -0.08 0.00 0.69 0.00 0.00 54.13 53.56 1xqn s LEU 198 Cb -0.00 -0.96 -0.01 0.00 -0.43 0.00 0.00 46.19 44.79 1xqn s LEU 198 CO -0.05 -0.29 0.11 -0.63 -0.29 0.00 0.00 176.35 175.20 1xqn s ILE 199 N 1.56 4.39 0.02 6.68 1.01 -1.26 -2.47 121.20 131.14 1xqn s ILE 199 Ca -0.01 -0.40 0.04 0.00 0.00 0.00 0.00 60.65 60.28 1xqn s ILE 199 Cb -0.18 -3.19 -0.02 0.00 0.01 0.00 0.00 42.46 39.08 1xqn s ILE 199 CO -0.10 0.15 -0.13 -0.75 0.00 0.00 0.00 174.94 174.11 1xqn s LYS 200 N 1.59 0.94 -0.06 2.79 2.47 -1.23 -0.75 119.74 125.50 1xqn s LYS 200 Ca 0.05 -0.62 -0.11 0.00 -1.56 0.00 0.00 55.97 53.72 1xqn s LYS 200 Cb -0.17 -0.93 0.02 0.00 -1.46 0.00 0.00 37.83 35.30 1xqn s LYS 200 CO 0.05 0.24 0.27 0.45 0.16 0.00 0.00 175.35 176.52 1xqn s SER 201 N -0.80 -0.22 0.00 1.43 0.15 -1.26 0.13 113.70 113.13 1xqn s SER 201 Ca 0.03 0.30 0.23 0.00 0.70 0.00 0.00 55.95 57.21 1xqn s SER 201 Cb -0.07 0.44 0.97 0.00 -1.71 0.00 0.00 66.02 65.66 1xqn s SER 201 CO 0.01 -0.25 1.72 -0.81 1.20 0.00 0.00 173.24 175.11 1xqn n PRO 202 N 2.18 0.01 -4.06 5.44 -0.04 -1.26 -4.87 135.00 132.40 1xqn n PRO 202 Ca -0.17 0.11 -0.24 0.00 -0.04 0.00 0.00 63.50 63.16 1xqn n PRO 202 Cb 0.57 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.49 1xqn n PRO 202 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1xqn s ASP 203 N -2.99 5.75 0.32 3.54 1.01 -1.26 -5.01 116.67 118.03 1xqn s ASP 203 Ca 0.11 -0.11 0.26 0.00 0.71 0.00 0.00 52.55 53.52 1xqn s ASP 203 Cb 0.15 -1.55 0.95 0.00 1.01 0.00 0.00 42.92 43.48 1xqn s ASP 203 CO 0.41 0.00 1.77 0.28 0.21 0.00 0.00 175.17 177.84 1xqn h SER 204 N 1.80 0.00 -3.69 0.27 0.02 -1.98 -3.36 113.55 106.60 1xqn h SER 204 Ca -0.49 0.00 -0.62 0.00 -0.84 0.00 0.00 61.79 59.84 1xqn h SER 204 Cb 1.22 0.00 -0.41 0.00 0.14 0.00 0.00 62.40 63.35 1xqn h SER 204 CO 0.62 0.00 -0.67 -1.00 -1.14 0.00 0.00 176.83 174.64 1xqn s HIS 205 N -3.32 2.78 0.68 3.45 3.76 -1.26 -5.11 115.29 116.27 1xqn s HIS 205 Ca 0.06 -2.93 -0.14 0.00 -0.15 0.00 0.00 55.06 51.89 1xqn s HIS 205 Cb 0.10 -2.39 0.01 0.00 1.11 0.00 0.00 32.58 31.40 1xqn s HIS 205 CO 0.50 -0.71 1.12 -1.25 -0.85 0.00 0.00 174.74 173.54 1xqn s PRO 206 N -0.35 2.67 0.10 8.40 0.05 -1.26 -4.40 135.00 140.21 1xqn s PRO 206 Ca 0.20 1.40 -0.21 0.00 0.05 0.00 0.00 61.00 62.43 1xqn s PRO 206 Cb -0.19 -1.93 0.05 0.00 0.05 0.00 0.00 34.50 32.48 1xqn s PRO 206 CO -0.05 -1.36 0.52 0.00 0.05 0.00 0.00 177.00 176.16 1xqn s ALA 207 N -2.38 -1.32 -0.01 8.56 0.00 -1.15 -4.19 121.76 121.27 1xqn s ALA 207 Ca 0.67 0.42 0.05 0.00 0.00 0.00 0.00 51.96 53.09 1xqn s ALA 207 Cb -0.21 0.61 -0.07 0.00 0.00 0.00 0.00 23.12 23.45 1xqn s ALA 207 CO 0.44 -0.62 0.09 -0.25 0.00 0.00 0.00 175.76 175.42 1xqn n ASP 208 N 0.02 3.92 0.00 0.00 8.00 -0.11 -2.20 116.55 126.18 1xqn n ASP 208 Ca -0.17 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.33 1xqn n ASP 208 Cb 0.63 1.11 0.00 0.00 -0.02 0.00 0.00 41.12 42.84 1xqn n ASP 208 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xqn n GLY 209 N 2.32 1.22 3.13 0.44 0.00 -1.23 -2.07 105.19 109.00 1xqn n GLY 209 Ca -0.02 -1.79 -0.20 0.00 0.00 0.00 0.00 46.02 44.01 1xqn n GLY 209 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xqn s ILE 210 N -1.37 1.07 0.03 -0.61 1.01 -0.57 -2.82 121.20 117.93 1xqn s ILE 210 Ca 0.00 -0.91 0.02 0.00 0.00 0.00 0.00 60.65 59.76 1xqn s ILE 210 Cb 0.00 -0.96 -0.02 0.00 0.01 0.00 0.00 42.46 41.50 1xqn s ILE 210 CO 0.00 0.05 -0.07 0.00 0.00 0.00 0.00 174.94 174.92 1xqn s ALA 211 N -0.75 0.53 -0.14 9.38 0.00 0.48 0.42 121.76 131.68 1xqn s ALA 211 Ca 0.02 -0.57 -0.14 0.00 0.00 0.00 0.00 51.96 51.26 1xqn s ALA 211 Cb -0.07 -0.01 -0.05 0.00 0.00 0.00 0.00 23.12 22.99 1xqn s ALA 211 CO 0.01 0.03 0.32 0.12 0.00 0.00 0.00 175.76 176.24 1xqn s PHE 212 N -0.92 3.49 0.10 0.00 5.36 -0.58 -0.65 117.98 124.78 1xqn s PHE 212 Ca -0.06 0.67 0.01 0.00 -0.96 0.00 0.00 56.93 56.59 1xqn s PHE 212 Cb -0.07 -2.36 -0.04 0.00 -0.34 0.00 0.00 43.02 40.21 1xqn s PHE 212 CO 0.00 0.27 -0.03 -0.59 -1.46 0.00 0.00 175.22 173.41 1xqn s PHE 213 N 0.33 0.85 -0.04 10.12 -0.71 0.40 -1.04 117.98 127.89 1xqn s PHE 213 Ca 0.18 -1.00 0.03 0.00 -1.04 0.00 0.00 56.93 55.10 1xqn s PHE 213 Cb -0.14 -0.51 0.00 0.00 -1.21 0.00 0.00 43.02 41.17 1xqn s PHE 213 CO 0.06 -0.25 -0.13 0.42 -1.34 0.00 0.00 175.22 173.98 1xqn s ILE 214 N -3.74 1.11 0.26 -4.49 1.01 0.32 -0.97 121.20 114.69 1xqn s ILE 214 Ca 0.14 -0.52 -0.08 0.00 0.00 0.00 0.00 60.65 60.19 1xqn s ILE 214 Cb 0.06 -0.99 -0.01 0.00 0.01 0.00 0.00 42.46 41.53 1xqn s ILE 214 CO -0.04 0.34 0.40 -0.94 0.00 0.00 0.00 174.94 174.69 1xqn s SER 215 N 0.31 0.18 0.60 3.58 1.04 -0.52 -1.59 113.70 117.29 1xqn s SER 215 Ca -0.07 -1.16 -0.18 0.00 0.48 0.00 0.00 55.95 55.02 1xqn s SER 215 Cb -0.12 0.55 -0.05 0.00 0.10 0.00 0.00 66.02 66.50 1xqn s SER 215 CO 0.02 -1.10 0.90 -0.46 0.98 0.00 0.00 173.24 173.58 1xqn n ASN 216 N -0.57 0.51 0.13 7.02 6.94 -1.19 -1.15 115.26 126.95 1xqn n ASN 216 Ca -0.00 0.79 0.12 0.00 -0.02 0.00 0.00 54.58 55.47 1xqn n ASN 216 Cb 0.63 -1.36 0.62 0.00 -2.36 0.00 0.00 39.78 37.31 1xqn n ASN 216 CO 0.00 0.00 0.00 0.16 -1.03 0.00 0.00 177.26 176.39 1xqn h ILE 217 N 0.43 0.92 -0.41 1.53 3.07 -1.85 -1.98 117.51 119.23 1xqn h ILE 217 Ca -0.48 -0.03 -0.02 0.00 1.55 0.00 0.00 64.86 65.88 1xqn h ILE 217 Cb 1.37 0.83 -0.01 0.00 -0.27 0.00 0.00 36.82 38.74 1xqn h ILE 217 CO 0.50 0.02 0.02 -0.90 -1.05 0.00 0.00 178.15 176.74 1xqn n ASP 218 N -4.48 4.22 -4.76 2.16 5.75 -1.26 -4.77 116.55 113.42 1xqn n ASP 218 Ca 0.02 -2.66 -0.41 0.00 -0.01 0.00 0.00 54.79 51.73 1xqn n ASP 218 Cb 0.27 -0.63 -0.00 0.00 -1.03 0.00 0.00 41.12 39.72 1xqn n ASP 218 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1xqn n SER 219 N 0.38 3.55 -4.17 -1.12 2.88 -0.74 -5.02 113.62 109.37 1xqn n SER 219 Ca 0.20 1.22 -0.10 0.00 -1.33 0.00 0.00 58.87 58.86 1xqn n SER 219 Cb 0.92 -1.59 -0.10 0.00 -0.75 0.00 0.00 64.21 62.69 1xqn n SER 219 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1xqn s SER 220 N -0.19 0.86 0.06 -3.46 1.04 -1.26 -5.09 113.70 105.67 1xqn s SER 220 Ca 0.54 -1.08 -0.31 0.00 0.48 0.00 0.00 55.95 55.58 1xqn s SER 220 Cb -0.49 0.16 -0.08 0.00 0.10 0.00 0.00 66.02 65.71 1xqn s SER 220 CO 0.63 -0.57 1.69 -0.63 0.98 0.00 0.00 173.24 175.34 1xqn s ILE 221 N -3.78 3.05 0.41 -1.02 1.01 -1.26 -4.96 121.20 114.66 1xqn s ILE 221 Ca 0.16 0.45 -0.26 0.00 0.00 0.00 0.00 60.65 61.00 1xqn s ILE 221 Cb 0.06 -3.29 -0.08 0.00 0.01 0.00 0.00 42.46 39.16 1xqn s ILE 221 CO -0.03 -0.01 1.30 -2.84 0.00 0.00 0.00 174.94 173.36 1xqn s PRO 222 N 2.91 3.93 0.30 2.79 0.02 -1.26 -4.96 135.00 138.73 1xqn s PRO 222 Ca 0.75 2.13 -0.30 0.00 0.02 0.00 0.00 61.00 63.61 1xqn s PRO 222 Cb -0.40 -2.72 -0.12 0.00 0.02 0.00 0.00 34.50 31.28 1xqn s PRO 222 CO 0.33 -0.52 1.47 0.45 -0.33 0.00 0.00 177.00 178.40 1xqn n SER 223 N 0.05 3.36 -1.06 2.53 2.88 -1.26 -2.50 113.62 117.63 1xqn n SER 223 Ca 0.04 1.17 -0.12 0.00 -1.33 0.00 0.00 58.87 58.63 1xqn n SER 223 Cb 0.44 -1.54 -0.03 0.00 -0.75 0.00 0.00 64.21 62.33 1xqn n SER 223 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1xqn n GLY 224 N 1.62 0.79 1.63 0.46 0.00 -1.26 -4.83 105.19 103.60 1xqn n GLY 224 Ca 0.07 -0.45 -0.01 0.00 0.00 0.00 0.00 46.02 45.63 1xqn n GLY 224 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xqn n SER 225 N -0.02 4.22 -3.78 1.61 3.41 -1.04 -4.92 113.62 113.09 1xqn n SER 225 Ca -0.13 -2.82 -0.30 0.00 -0.26 0.00 0.00 58.87 55.36 1xqn n SER 225 Cb 0.46 -0.67 0.26 0.00 -0.26 0.00 0.00 64.21 64.00 1xqn n SER 225 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1xqn s THR 226 N -2.32 1.51 0.00 6.66 -4.23 -1.26 -0.92 115.64 115.07 1xqn s THR 226 Ca 0.40 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.91 1xqn s THR 226 Cb 0.32 -2.29 0.00 0.00 1.34 0.00 0.00 72.50 71.87 1xqn s THR 226 CO 0.11 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.80 1xqn n GLY 227 N 0.08 3.53 0.24 3.99 0.00 0.04 -2.77 105.19 110.30 1xqn n GLY 227 Ca 0.11 0.05 0.17 0.00 0.00 0.00 0.00 46.02 46.35 1xqn n GLY 227 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1xqn h ARG 228 N 0.00 0.00 -0.01 1.61 0.11 -1.89 -2.41 114.38 111.79 1xqn h ARG 228 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1xqn h ARG 228 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 1xqn h ARG 228 CO 0.00 0.00 -0.08 1.28 0.10 0.00 0.00 179.97 181.27 1xqn n LEU 229 N -2.68 0.99 -1.30 0.08 4.77 -1.11 -4.94 117.00 112.81 1xqn n LEU 229 Ca -0.01 -0.28 -0.16 0.00 -0.03 0.00 0.00 56.01 55.53 1xqn n LEU 229 Cb 0.12 -0.07 -0.07 0.00 -2.33 0.00 0.00 43.42 41.07 1xqn n LEU 229 CO 0.18 0.17 -0.15 0.18 -1.33 0.00 0.00 177.39 176.44 1xqn n LEU 230 N -0.39 -1.00 -0.12 2.23 4.77 -0.91 -1.40 117.00 120.18 1xqn n LEU 230 Ca 0.17 0.39 -0.02 0.00 -0.03 0.00 0.00 56.01 56.53 1xqn n LEU 230 Cb 0.31 -2.58 -0.01 0.00 -2.33 0.00 0.00 43.42 38.81 1xqn n LEU 230 CO 0.20 -0.97 -0.01 0.61 -1.33 0.00 0.00 177.39 175.89 1xqn n GLY 231 N -0.15 0.47 0.03 -0.72 0.00 -0.10 -3.98 105.19 100.74 1xqn n GLY 231 Ca -0.16 -0.17 -0.04 0.00 0.00 0.00 0.00 46.02 45.65 1xqn n GLY 231 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xqn n LEU 232 N -0.17 0.79 -4.29 0.99 4.77 -0.49 -4.38 117.00 114.21 1xqn n LEU 232 Ca -0.02 -0.01 -0.25 0.00 -0.03 0.00 0.00 56.01 55.70 1xqn n LEU 232 Cb 0.17 0.04 -0.13 0.00 -2.33 0.00 0.00 43.42 41.17 1xqn n LEU 232 CO 0.02 0.28 -0.53 -0.36 -1.33 0.00 0.00 177.39 175.48 1xqn s PHE 233 N -2.15 1.87 -0.64 -1.77 0.08 -1.14 -4.80 117.98 109.43 1xqn s PHE 233 Ca -0.05 -0.40 0.25 0.00 0.12 0.00 0.00 56.93 56.85 1xqn s PHE 233 Cb 0.02 -1.06 0.59 0.00 -0.57 0.00 0.00 43.02 42.00 1xqn s PHE 233 CO 0.24 0.17 1.62 -1.00 -0.10 0.00 0.00 175.22 176.15 1xqn h PRO 234 N 4.39 0.00 0.00 0.24 0.13 -1.91 -3.41 132.00 131.43 1xqn h PRO 234 Ca -0.45 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.64 1xqn h PRO 234 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1xqn h PRO 234 CO 0.41 0.00 0.16 -0.40 -0.23 0.00 0.00 178.00 177.94 1xqn n ASP 235 N -2.40 -1.50 -1.79 1.44 5.68 -1.26 -4.89 116.55 111.83 1xqn n ASP 235 Ca 0.05 -2.11 0.07 0.00 -0.50 0.00 0.00 54.79 52.29 1xqn n ASP 235 Cb 0.46 2.53 0.39 0.00 -1.14 0.00 0.00 41.12 43.35 1xqn n ASP 235 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1xqn n ALA 236 N -1.34 3.81 0.67 2.12 0.00 -1.26 -4.68 120.51 119.83 1xqn n ALA 236 Ca -0.11 -1.98 0.05 0.00 0.00 0.00 0.00 53.44 51.40 1xqn n ALA 236 Cb 0.41 -1.08 0.32 0.00 0.00 0.00 0.00 19.45 19.10 1xqn n ALA 236 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59