#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3htt s THR 6 N 0.00 0.13 -0.08 -3.53 -4.23 -1.26 -5.15 115.64 101.51 3htt s THR 6 Ca 0.00 -1.40 -0.04 0.00 -1.18 0.00 0.00 61.69 59.07 3htt s THR 6 Cb 0.00 -1.58 0.04 0.00 1.34 0.00 0.00 72.50 72.30 3htt s THR 6 CO 0.00 -0.58 0.18 -0.51 -0.54 0.00 0.00 174.62 173.17 3htt s ILE 7 N -3.92 -0.09 -0.00 2.99 2.07 -1.26 -5.15 121.20 115.84 3htt s ILE 7 Ca 0.11 0.20 0.08 0.00 -1.41 0.00 0.00 60.65 59.62 3htt s ILE 7 Cb 0.05 -0.30 -0.02 0.00 0.13 0.00 0.00 42.46 42.32 3htt s ILE 7 CO -0.06 0.08 -0.23 0.00 -1.91 0.00 0.00 174.94 172.81 3htt s ILE 9 N -0.71 4.38 0.00 0.00 -1.16 -1.26 -5.07 121.20 117.38 3htt s ILE 9 Ca 0.11 -0.19 0.00 0.00 -0.51 0.00 0.00 60.65 60.06 3htt s ILE 9 Cb -0.10 -2.93 0.00 0.00 0.61 0.00 0.00 42.46 40.04 3htt s ILE 9 CO 0.01 0.50 0.00 0.61 -2.81 0.00 0.00 174.94 173.25 3htt n GLY 10 N 3.28 3.85 3.21 1.50 0.00 -1.26 -5.19 105.19 110.59 3htt n GLY 10 Ca -0.17 -1.21 -0.12 0.00 0.00 0.00 0.00 46.02 44.51 3htt n GLY 10 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3htt s TYR 11 N -2.98 1.08 0.78 1.61 -0.85 -1.26 -5.15 117.35 110.57 3htt s TYR 11 Ca 0.00 -0.85 -0.13 0.00 -0.52 0.00 0.00 57.07 55.57 3htt s TYR 11 Cb 0.00 -0.58 0.07 0.00 0.38 0.00 0.00 41.96 41.82 3htt s TYR 11 CO 0.00 -0.05 1.17 -1.58 -1.52 0.00 0.00 175.55 173.56 3htt s HIS 12 N -3.50 2.05 -0.04 -3.49 5.65 -1.26 -5.08 115.29 109.63 3htt s HIS 12 Ca 0.15 1.65 -0.29 0.00 0.25 0.00 0.00 55.06 56.81 3htt s HIS 12 Cb 0.04 -3.35 0.07 0.00 -1.18 0.00 0.00 32.58 28.16 3htt s HIS 12 CO -0.02 -2.47 0.65 0.00 -0.65 0.00 0.00 174.74 172.25 3htt s ALA 13 N -2.33 -1.69 0.00 1.58 0.00 -1.26 -4.74 121.76 113.32 3htt s ALA 13 Ca 0.70 1.20 0.00 0.00 0.00 0.00 0.00 51.96 53.86 3htt s ALA 13 Cb -0.25 0.05 0.00 0.00 0.00 0.00 0.00 23.12 22.92 3htt s ALA 13 CO 0.50 -0.38 0.00 0.27 0.00 0.00 0.00 175.76 176.14 3htt n ASN 14 N 0.86 0.00 -0.31 0.00 0.23 -1.26 -5.01 115.26 109.77 3htt n ASN 14 Ca -0.19 -0.58 0.09 0.00 -0.53 0.00 0.00 54.58 53.37 3htt n ASN 14 Cb 0.57 0.00 0.40 0.00 -2.08 0.00 0.00 39.78 38.67 3htt n ASN 14 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 3htt n ASN 15 N -0.96 0.93 -4.66 0.53 6.94 -1.26 -4.76 115.26 112.01 3htt n ASN 15 Ca 0.00 -1.64 -0.39 0.00 -0.02 0.00 0.00 54.58 52.53 3htt n ASN 15 Cb 0.00 -0.07 0.03 0.00 -2.36 0.00 0.00 39.78 37.38 3htt n ASN 15 CO 0.00 0.00 0.00 -0.24 -1.03 0.00 0.00 177.26 175.99 3htt n SER 16 N -0.14 1.74 0.00 0.53 2.88 -1.26 -4.93 113.62 112.44 3htt n SER 16 Ca 0.14 0.97 0.00 0.00 -1.33 0.00 0.00 58.87 58.65 3htt n SER 16 Cb 0.20 -1.45 0.00 0.00 -0.75 0.00 0.00 64.21 62.21 3htt n SER 16 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3htt n THR 17 N -0.94 0.36 -1.83 2.46 -2.24 -1.26 -4.84 114.28 105.99 3htt n THR 17 Ca 0.10 -0.45 -0.41 0.00 -2.27 0.00 0.00 64.05 61.02 3htt n THR 17 Cb 0.43 0.97 0.00 0.00 -2.10 0.00 0.00 70.33 69.63 3htt n THR 17 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3htt s ASP 18 N -0.36 6.27 0.03 3.42 -0.00 -1.26 -4.87 116.67 119.90 3htt s ASP 18 Ca 0.00 2.98 0.05 0.00 -0.00 0.00 0.00 52.55 55.59 3htt s ASP 18 Cb 0.00 -2.66 -0.02 0.00 -0.00 0.00 0.00 42.92 40.24 3htt s ASP 18 CO 0.00 -0.91 -0.16 0.42 -0.00 0.00 0.00 175.17 174.52 3htt s THR 19 N -1.14 1.27 0.22 -1.27 -4.23 -1.26 -1.45 115.64 107.77 3htt s THR 19 Ca 0.54 -0.99 0.06 0.00 -1.18 0.00 0.00 61.69 60.13 3htt s THR 19 Cb -0.45 -1.12 -0.05 0.00 1.34 0.00 0.00 72.50 72.22 3htt s THR 19 CO 0.60 0.11 -0.09 0.68 -0.54 0.00 0.00 174.62 175.39 3htt s VAL 20 N -0.75 1.48 0.04 2.29 -7.23 -0.47 -4.84 120.40 110.92 3htt s VAL 20 Ca 0.04 -2.13 0.03 0.00 -1.81 0.00 0.00 61.98 58.11 3htt s VAL 20 Cb -0.08 -2.18 -0.04 0.00 0.56 0.00 0.00 36.38 34.65 3htt s VAL 20 CO 0.01 -0.49 0.01 -1.81 -0.31 0.00 0.00 175.10 172.51 3htt s ASP 21 N -3.32 5.15 0.34 4.85 1.11 -1.26 -0.27 116.67 123.26 3htt s ASP 21 Ca 0.24 -0.06 0.04 0.00 0.18 0.00 0.00 52.55 52.96 3htt s ASP 21 Cb 0.02 -1.32 -0.06 0.00 1.07 0.00 0.00 42.92 42.64 3htt s ASP 21 CO 0.07 0.24 0.07 0.42 1.18 0.00 0.00 175.17 177.15 3htt s THR 22 N -1.19 1.13 0.36 -1.27 -4.23 0.22 -4.99 115.64 105.67 3htt s THR 22 Ca 0.23 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.79 3htt s THR 22 Cb -0.12 -2.73 0.29 0.00 1.34 0.00 0.00 72.50 71.29 3htt s THR 22 CO 0.14 0.00 1.95 0.58 -0.54 0.00 0.00 174.62 176.75 3htt h VAL 23 N 2.05 1.03 0.00 2.29 2.07 -2.03 -3.19 116.25 118.47 3htt h VAL 23 Ca -0.40 -0.27 -0.35 0.00 0.82 0.00 0.00 66.70 66.50 3htt h VAL 23 Cb 1.25 0.18 -0.06 0.00 -1.52 0.00 0.00 31.29 31.13 3htt h VAL 23 CO 0.68 0.14 -2.22 0.18 0.02 0.00 0.00 177.57 176.38 3htt n LEU 24 N -4.48 0.56 -4.07 2.57 4.77 -1.26 -4.99 117.00 110.11 3htt n LEU 24 Ca 0.11 0.10 -0.21 0.00 -0.03 0.00 0.00 56.01 55.98 3htt n LEU 24 Cb 0.22 0.24 -0.15 0.00 -2.33 0.00 0.00 43.42 41.41 3htt n LEU 24 CO 0.34 0.52 -0.45 -1.61 -1.33 0.00 0.00 177.39 174.85 3htt s GLU 25 N -2.52 0.96 0.33 3.23 2.02 -1.21 -5.13 118.70 116.38 3htt s GLU 25 Ca -0.11 -0.42 -0.11 0.00 0.02 0.00 0.00 54.97 54.35 3htt s GLU 25 Cb 0.07 -0.92 -0.07 0.00 0.10 0.00 0.00 34.13 33.30 3htt s GLU 25 CO 0.81 0.25 0.69 0.15 0.02 0.00 0.00 175.26 177.18 3htt s LYS 26 N -0.25 3.83 -0.07 1.61 -0.14 -1.26 -0.61 119.74 122.85 3htt s LYS 26 Ca 0.04 0.44 -0.06 0.00 -1.36 0.00 0.00 55.97 55.03 3htt s LYS 26 Cb -0.05 -2.48 0.01 0.00 -1.68 0.00 0.00 37.83 33.63 3htt s LYS 26 CO -0.00 0.12 0.10 0.09 -0.76 0.00 0.00 175.35 174.89 3htt n ASN 27 N -0.76 -5.12 -4.29 2.83 4.13 -1.22 -4.92 115.26 105.91 3htt n ASN 27 Ca 0.02 0.24 -0.34 0.00 1.68 0.00 0.00 54.58 56.18 3htt n ASN 27 Cb 0.53 -1.27 -0.15 0.00 -1.54 0.00 0.00 39.78 37.36 3htt n ASN 27 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3htt s VAL 28 N -0.87 2.96 0.19 2.41 1.01 0.62 -4.89 120.40 121.83 3htt s VAL 28 Ca 0.06 -0.66 -0.30 0.00 0.00 0.00 0.00 61.98 61.08 3htt s VAL 28 Cb -0.01 -2.29 -0.08 0.00 0.00 0.00 0.00 36.38 34.01 3htt s VAL 28 CO 0.13 0.49 1.21 -0.89 0.00 0.00 0.00 175.10 176.03 3htt s THR 29 N 1.00 3.53 0.13 3.92 2.01 -1.26 -1.36 115.64 123.60 3htt s THR 29 Ca -0.01 1.29 0.08 0.00 0.31 0.00 0.00 61.69 63.36 3htt s THR 29 Cb -0.15 -3.82 -0.04 0.00 0.01 0.00 0.00 72.50 68.50 3htt s THR 29 CO -0.02 0.20 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.24 3htt s VAL 30 N -0.04 1.71 0.21 3.82 1.01 -0.53 -1.11 120.40 125.46 3htt s VAL 30 Ca 0.53 -1.71 0.02 0.00 0.00 0.00 0.00 61.98 60.82 3htt s VAL 30 Cb -0.33 -1.66 -0.08 0.00 0.00 0.00 0.00 36.38 34.31 3htt s VAL 30 CO 0.37 -0.20 1.49 0.71 0.00 0.00 0.00 175.10 177.47 3htt h THR 31 N 3.68 1.39 -2.86 3.92 1.35 -1.14 -3.39 112.91 115.87 3htt h THR 31 Ca -0.44 -2.10 -0.16 0.00 -0.55 0.00 0.00 66.41 63.16 3htt h THR 31 Cb 1.19 2.08 -0.28 0.00 -1.73 0.00 0.00 68.15 69.41 3htt h THR 31 CO 0.45 0.62 -0.40 -1.00 -0.25 0.00 0.00 175.52 174.95 3htt s HIS 32 N -3.66 -0.45 0.29 4.73 3.76 -1.26 -4.73 115.29 113.97 3htt s HIS 32 Ca -0.05 1.00 0.02 0.00 -0.15 0.00 0.00 55.06 55.89 3htt s HIS 32 Cb 0.11 0.15 -0.04 0.00 1.11 0.00 0.00 32.58 33.90 3htt s HIS 32 CO 0.82 -0.27 0.12 -1.54 -0.85 0.00 0.00 174.74 173.01 3htt s SER 33 N 1.23 1.50 -0.03 1.40 1.04 -1.26 0.13 113.70 117.71 3htt s SER 33 Ca -0.09 -1.47 -0.02 0.00 0.48 0.00 0.00 55.95 54.85 3htt s SER 33 Cb -0.09 0.26 0.01 0.00 0.10 0.00 0.00 66.02 66.30 3htt s SER 33 CO -0.10 -0.80 0.07 -0.69 0.98 0.00 0.00 173.24 172.70 3htt s VAL 34 N -3.63 -0.01 -0.06 5.02 1.01 0.51 -4.85 120.40 118.40 3htt s VAL 34 Ca 0.36 0.02 -0.16 0.00 0.00 0.00 0.00 61.98 62.20 3htt s VAL 34 Cb 0.06 -0.10 -0.05 0.00 0.00 0.00 0.00 36.38 36.29 3htt s VAL 34 CO 0.15 0.01 0.42 0.21 0.00 0.00 0.00 175.10 175.89 3htt s ASN 35 N 0.14 6.73 0.00 3.32 3.04 -1.26 -0.17 114.94 126.73 3htt s ASN 35 Ca -0.01 0.86 0.11 0.00 0.04 0.00 0.00 52.86 53.86 3htt s ASN 35 Cb -0.02 -2.25 0.08 0.00 -1.54 0.00 0.00 41.25 37.52 3htt s ASN 35 CO -0.00 0.20 0.83 0.18 -3.04 0.00 0.00 177.10 175.27 3htt n LEU 36 N 2.61 1.87 -4.22 3.21 4.77 -0.79 -4.92 117.00 119.53 3htt n LEU 36 Ca -0.12 -0.99 -0.37 0.00 -0.03 0.00 0.00 56.01 54.51 3htt n LEU 36 Cb 0.52 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.48 3htt n LEU 36 CO 0.39 0.36 -0.29 -0.22 -1.33 0.00 0.00 177.39 176.30 3htt s LEU 37 N -0.92 4.22 -0.30 2.23 2.96 -1.25 -3.04 118.68 122.58 3htt s LEU 37 Ca 0.12 -1.26 -0.29 0.00 -0.22 0.00 0.00 54.13 52.48 3htt s LEU 37 Cb 0.09 -1.80 0.01 0.00 0.50 0.00 0.00 46.19 44.99 3htt s LEU 37 CO 0.14 -0.32 1.10 -0.70 -1.32 0.00 0.00 176.35 175.25 3htt s GLU 38 N 1.32 4.09 -0.10 1.98 -6.30 0.17 -4.88 118.70 114.98 3htt s GLU 38 Ca -0.02 1.16 0.20 0.00 -2.50 0.00 0.00 54.97 53.80 3htt s GLU 38 Cb -0.20 -3.74 0.43 0.00 0.00 0.00 0.00 34.13 30.62 3htt s GLU 38 CO 0.01 -0.88 1.19 -0.40 0.02 0.00 0.00 175.26 175.20 3htt n ASP 39 N 6.86 1.42 -4.26 -1.70 5.68 -1.26 -2.83 116.55 120.46 3htt n ASP 39 Ca 0.12 -2.77 -0.17 0.00 -0.50 0.00 0.00 54.79 51.47 3htt n ASP 39 Cb 0.47 -0.40 -0.11 0.00 -1.14 0.00 0.00 41.12 39.95 3htt n ASP 39 CO 0.00 0.00 0.00 0.20 -1.33 0.00 0.00 177.20 176.07 3htt s ASN 40 N -2.60 2.01 0.07 -1.12 0.01 -1.26 -4.91 114.94 107.14 3htt s ASN 40 Ca 0.36 -0.91 -0.19 0.00 -0.71 0.00 0.00 52.86 51.41 3htt s ASN 40 Cb 0.38 -0.06 0.04 0.00 0.41 0.00 0.00 41.25 42.02 3htt s ASN 40 CO -0.12 -0.21 0.44 -1.38 -1.51 0.00 0.00 177.10 174.32 3htt s HIS 41 N -2.67 -0.30 -1.85 2.20 -3.43 -1.26 -4.59 115.29 103.39 3htt s HIS 41 Ca 0.14 0.22 0.00 0.00 -0.80 0.00 0.00 55.06 54.62 3htt s HIS 41 Cb -0.02 0.27 0.00 0.00 -1.43 0.00 0.00 32.58 31.40 3htt s HIS 41 CO 0.03 -0.63 0.92 0.27 -2.00 0.00 0.00 174.74 173.33 3htt n ASN 42 N 0.29 0.15 -3.40 7.38 2.04 -1.15 -4.88 115.26 115.70 3htt n ASN 42 Ca -0.18 -1.99 -0.22 0.00 -0.44 0.00 0.00 54.58 51.75 3htt n ASN 42 Cb 0.61 -0.07 -0.02 0.00 -2.53 0.00 0.00 39.78 37.77 3htt n ASN 42 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3htt n GLY 43 N 0.42 -0.47 3.04 4.83 0.00 -1.23 -4.85 105.19 106.93 3htt n GLY 43 Ca 0.00 0.06 -0.09 0.00 0.00 0.00 0.00 46.02 45.99 3htt n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3htt s LYS 44 N -6.02 0.47 -0.44 1.61 1.02 -1.25 -4.41 119.74 110.72 3htt s LYS 44 Ca 0.39 -0.86 -0.17 0.00 0.02 0.00 0.00 55.97 55.36 3htt s LYS 44 Cb -0.22 0.03 0.04 0.00 -0.52 0.00 0.00 37.83 37.16 3htt s LYS 44 CO 0.48 -0.04 0.45 -0.51 -0.92 0.00 0.00 175.35 174.81 3htt s LEU 45 N -1.99 5.01 0.00 3.17 1.43 0.23 -2.17 118.68 124.37 3htt s LEU 45 Ca -0.07 -0.83 0.00 0.00 -1.03 0.00 0.00 54.13 52.20 3htt s LEU 45 Cb -0.04 -2.35 0.00 0.00 0.03 0.00 0.00 46.19 43.83 3htt s LEU 45 CO -0.03 -0.64 0.00 0.00 0.23 0.00 0.00 176.35 175.91 3htt s LYS 47 N -0.76 4.04 -0.56 0.00 1.02 0.10 -4.44 119.74 119.14 3htt s LYS 47 Ca 0.00 0.13 -0.19 0.00 0.02 0.00 0.00 55.97 55.93 3htt s LYS 47 Cb 0.00 -3.34 0.08 0.00 -0.52 0.00 0.00 37.83 34.05 3htt s LYS 47 CO 0.00 0.43 0.70 -1.17 -0.92 0.00 0.00 175.35 174.39 3htt s LEU 48 N -0.14 5.08 -0.71 3.17 1.98 -1.22 -1.73 118.68 125.12 3htt s LEU 48 Ca 0.18 -1.13 -0.04 0.00 -2.89 0.00 0.00 54.13 50.24 3htt s LEU 48 Cb -0.14 -2.39 0.00 0.00 0.66 0.00 0.00 46.19 44.33 3htt s LEU 48 CO 0.06 -1.04 0.58 0.59 -1.89 0.00 0.00 176.35 174.64 3htt n ASN 49 N 6.40 -4.22 -1.25 3.68 5.03 0.17 -3.58 115.26 121.49 3htt n ASN 49 Ca -0.07 -0.26 -0.08 0.00 0.87 0.00 0.00 54.58 55.03 3htt n ASN 49 Cb 0.44 -2.83 0.01 0.00 -1.02 0.00 0.00 39.78 36.38 3htt n ASN 49 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3htt n GLY 50 N -1.27 0.21 2.74 7.41 0.00 -1.26 -5.03 105.19 108.00 3htt n GLY 50 Ca -0.00 -0.45 -0.18 0.00 0.00 0.00 0.00 46.02 45.39 3htt n GLY 50 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3htt s ILE 51 N -2.73 -0.37 0.55 -0.61 1.01 -1.23 -5.09 121.20 112.73 3htt s ILE 51 Ca 0.10 -0.59 -0.18 0.00 0.00 0.00 0.00 60.65 59.98 3htt s ILE 51 Cb -0.04 -0.95 -0.13 0.00 0.01 0.00 0.00 42.46 41.35 3htt s ILE 51 CO 0.13 -0.51 0.01 0.00 0.00 0.00 0.00 174.94 174.57 3htt n ALA 52 N 5.14 -2.72 -1.45 9.38 0.00 -1.26 -3.41 120.51 126.19 3htt n ALA 52 Ca -0.00 -0.08 -0.04 0.00 0.00 0.00 0.00 53.44 53.32 3htt n ALA 52 Cb 0.46 -1.50 0.03 0.00 0.00 0.00 0.00 19.45 18.43 3htt n ALA 52 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3htt n PRO 53 N 1.12 -0.03 -4.01 0.00 -0.04 -1.26 -2.42 135.00 128.36 3htt n PRO 53 Ca 0.08 -0.37 -0.34 0.00 -0.04 0.00 0.00 63.50 62.84 3htt n PRO 53 Cb 0.48 -0.20 -0.15 0.00 -0.04 0.00 0.00 33.50 33.59 3htt n PRO 53 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3htt s LEU 54 N 0.00 2.77 -0.14 1.53 2.96 -0.32 -4.72 118.68 120.76 3htt s LEU 54 Ca 0.12 -0.72 -0.20 0.00 -0.22 0.00 0.00 54.13 53.11 3htt s LEU 54 Cb -0.00 -1.61 -0.04 0.00 0.50 0.00 0.00 46.19 45.04 3htt s LEU 54 CO 0.08 -0.06 0.55 -1.10 -1.32 0.00 0.00 176.35 174.50 3htt s GLN 55 N 1.33 4.31 -0.08 1.98 -0.21 -1.26 -0.36 119.66 125.37 3htt s GLN 55 Ca 0.03 0.55 0.16 0.00 0.02 0.00 0.00 55.36 56.11 3htt s GLN 55 Cb -0.15 -3.49 -0.23 0.00 1.00 0.00 0.00 33.01 30.14 3htt s GLN 55 CO -0.07 0.01 0.24 1.28 -2.12 0.00 0.00 175.29 174.62 3htt n LEU 56 N 4.15 0.00 0.00 2.90 4.77 -0.99 -4.98 117.00 122.86 3htt n LEU 56 Ca -0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 3htt n LEU 56 Cb 0.51 0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.76 3htt n LEU 56 CO 0.44 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 3htt n GLY 57 N 1.76 2.01 0.20 -0.72 0.00 -1.26 -1.60 105.19 105.56 3htt n GLY 57 Ca -0.13 0.24 0.08 0.00 0.00 0.00 0.00 46.02 46.21 3htt n GLY 57 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3htt h LYS 58 N 0.00 0.00 -6.60 1.61 2.10 -1.94 -3.02 116.57 108.71 3htt h LYS 58 Ca 0.00 0.00 -0.51 0.00 -2.00 0.00 0.00 60.65 58.14 3htt h LYS 58 Cb 0.00 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.30 3htt h LYS 58 CO 0.00 0.30 0.00 0.00 -2.00 0.00 0.00 179.45 177.75 3htt n ASN 60 N -0.33 2.53 -0.19 0.00 0.23 -1.07 -4.62 115.26 111.81 3htt n ASN 60 Ca 0.02 -2.70 -0.04 0.00 -0.53 0.00 0.00 54.58 51.33 3htt n ASN 60 Cb 0.53 -0.09 0.06 0.00 -2.08 0.00 0.00 39.78 38.20 3htt n ASN 60 CO 0.00 0.00 0.00 0.58 -0.93 0.00 0.00 177.26 176.91 3htt h VAL 61 N 0.58 1.00 -0.64 3.53 2.07 -1.94 -1.74 116.25 119.10 3htt h VAL 61 Ca -0.31 -0.21 0.03 0.00 0.82 0.00 0.00 66.70 67.03 3htt h VAL 61 Cb 1.17 0.35 -0.04 0.00 -1.52 0.00 0.00 31.29 31.25 3htt h VAL 61 CO 0.48 0.11 0.40 0.00 0.02 0.00 0.00 177.57 178.58 3htt h ALA 62 N 1.27 0.83 -0.34 1.67 0.00 -1.93 -0.86 119.26 119.90 3htt h ALA 62 Ca 0.24 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 3htt h ALA 62 Cb 0.10 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3htt h ALA 62 CO -0.14 0.15 -0.13 0.78 0.00 0.00 0.00 179.25 179.91 3htt h GLY 63 N 0.78 0.63 0.68 0.00 0.00 -1.60 -0.80 103.07 102.76 3htt h GLY 63 Ca 0.26 -0.46 -0.02 0.00 0.00 0.00 0.00 47.33 47.11 3htt h GLY 63 CO -0.10 0.42 -0.02 -0.25 0.00 0.00 0.00 176.54 176.59 3htt h TRP 64 N 0.54 0.16 -0.17 5.60 7.01 -0.68 -0.32 115.95 128.08 3htt h TRP 64 Ca 0.10 -0.03 -0.11 0.00 2.11 0.00 0.00 58.89 60.95 3htt h TRP 64 Cb 0.54 -0.04 0.00 0.00 -2.10 0.00 0.00 29.16 27.56 3htt h TRP 64 CO 0.02 0.48 -0.31 -0.07 -2.79 0.00 0.00 178.44 175.77 3htt h LEU 65 N -0.21 0.57 -0.72 0.65 3.38 -1.12 -3.24 115.31 114.62 3htt h LEU 65 Ca 0.02 -0.54 -0.09 0.00 0.09 0.00 0.00 57.88 57.36 3htt h LEU 65 Cb 0.43 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3htt h LEU 65 CO 0.01 1.00 -0.03 -0.07 0.09 0.00 0.00 178.44 179.44 3htt h LEU 66 N 0.16 0.94 0.00 1.67 3.38 -1.24 -3.45 115.31 116.77 3htt h LEU 66 Ca 0.01 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.72 3htt h LEU 66 Cb 0.90 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.39 3htt h LEU 66 CO 0.07 1.01 0.00 0.61 0.09 0.00 0.00 178.44 180.22 3htt n GLY 67 N -0.46 1.97 3.55 0.83 0.00 -0.72 -2.14 105.19 108.22 3htt n GLY 67 Ca 0.03 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.54 3htt n GLY 67 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3htt n ASN 68 N 0.00 0.96 0.15 1.61 2.85 -0.21 -0.36 115.26 120.26 3htt n ASN 68 Ca 0.00 1.14 0.07 0.00 -0.11 0.00 0.00 54.58 55.68 3htt n ASN 68 Cb 0.00 -1.15 0.39 0.00 1.24 0.00 0.00 39.78 40.26 3htt n ASN 68 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 3htt n PRO 69 N 1.74 0.10 -0.07 1.20 -0.02 -1.26 -0.77 135.00 135.92 3htt n PRO 69 Ca 0.16 0.57 0.12 0.00 -2.02 0.00 0.00 63.50 62.33 3htt n PRO 69 Cb 0.22 -2.03 0.32 0.00 -0.02 0.00 0.00 33.50 31.99 3htt n PRO 69 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3htt n GLU 70 N -2.05 2.00 -0.53 -0.52 -0.58 -1.26 -4.10 120.64 113.60 3htt n GLU 70 Ca -0.01 -1.49 0.04 0.00 -0.42 0.00 0.00 57.16 55.28 3htt n GLU 70 Cb 0.23 -1.45 0.20 0.00 -0.57 0.00 0.00 31.44 29.85 3htt n GLU 70 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3htt h ASP 72 N 0.87 0.00 1.24 0.00 5.19 -1.72 0.11 116.42 122.10 3htt h ASP 72 Ca 0.06 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.47 3htt h ASP 72 Cb 1.24 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.75 3htt h ASP 72 CO 0.14 0.00 0.00 0.25 -3.12 0.00 0.00 179.24 176.51 3htt h LEU 73 N 0.00 0.00 -1.55 1.55 5.85 -1.94 -3.09 115.31 116.14 3htt h LEU 73 Ca 0.07 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.79 3htt h LEU 73 Cb 0.39 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.42 3htt h LEU 73 CO -0.00 0.00 0.00 0.18 -0.34 0.00 0.00 178.44 178.28 3htt n LEU 74 N -2.76 2.31 0.00 2.25 4.77 0.37 -4.29 117.00 119.65 3htt n LEU 74 Ca 0.02 -1.02 0.09 0.00 -0.03 0.00 0.00 56.01 55.08 3htt n LEU 74 Cb 0.36 -0.19 0.48 0.00 -2.33 0.00 0.00 43.42 41.74 3htt n LEU 74 CO 0.27 0.51 0.79 0.18 -1.33 0.00 0.00 177.39 177.81 3htt n LEU 75 N 0.74 0.00 -0.45 2.23 4.77 -1.17 -2.89 117.00 120.24 3htt n LEU 75 Ca 0.17 0.28 0.05 0.00 -0.03 0.00 0.00 56.01 56.48 3htt n LEU 75 Cb 0.41 -0.28 0.06 0.00 -2.33 0.00 0.00 43.42 41.29 3htt n LEU 75 CO 0.13 -0.11 0.46 0.35 -1.33 0.00 0.00 177.39 176.89 3htt n THR 76 N -1.28 0.22 -0.77 -5.08 -2.24 -1.26 -4.92 114.28 98.95 3htt n THR 76 Ca 0.09 -0.61 -0.27 0.00 -2.27 0.00 0.00 64.05 60.99 3htt n THR 76 Cb 0.15 1.06 -0.02 0.00 -2.10 0.00 0.00 70.33 69.42 3htt n THR 76 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3htt n ALA 77 N 0.55 -2.05 -3.62 6.98 0.00 -1.14 -4.98 120.51 116.25 3htt n ALA 77 Ca 0.07 0.25 -0.03 0.00 0.00 0.00 0.00 53.44 53.74 3htt n ALA 77 Cb 0.29 -0.88 -0.05 0.00 0.00 0.00 0.00 19.45 18.81 3htt n ALA 77 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3htt s ASN 78 N -0.46 -0.94 0.00 0.00 3.84 -1.26 -4.89 114.94 111.23 3htt s ASN 78 Ca 0.37 1.38 0.00 0.00 0.21 0.00 0.00 52.86 54.82 3htt s ASN 78 Cb -0.53 2.06 0.00 0.00 -0.55 0.00 0.00 41.25 42.23 3htt s ASN 78 CO 0.30 -0.23 0.00 -0.24 -2.79 0.00 0.00 177.10 174.15 3htt n SER 79 N 5.43 0.00 -1.60 -4.21 2.88 -1.26 -5.04 113.62 109.83 3htt n SER 79 Ca -0.10 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.44 3htt n SER 79 Cb 0.49 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.95 3htt n SER 79 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 3htt n TRP 80 N 0.00 -3.60 0.18 0.66 2.14 -1.24 -3.85 117.44 111.73 3htt n TRP 80 Ca 0.00 1.91 0.11 0.00 2.07 0.00 0.00 57.50 61.59 3htt n TRP 80 Cb 0.00 -2.92 -0.16 0.00 -0.81 0.00 0.00 31.31 27.42 3htt n TRP 80 CO 0.00 0.00 0.00 -1.13 2.07 0.00 0.00 177.69 178.63 3htt n SER 81 N -0.67 0.24 -3.50 -0.67 3.41 -1.01 -3.15 113.62 108.26 3htt n SER 81 Ca 0.00 -0.19 -0.11 0.00 -0.26 0.00 0.00 58.87 58.31 3htt n SER 81 Cb 0.00 1.80 -0.03 0.00 -0.26 0.00 0.00 64.21 65.72 3htt n SER 81 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 3htt s TYR 82 N -3.40 -0.44 -0.06 7.33 -0.85 -1.23 -4.52 117.35 114.17 3htt s TYR 82 Ca -0.05 0.47 -0.03 0.00 -0.52 0.00 0.00 57.07 56.93 3htt s TYR 82 Cb 0.14 0.50 -0.04 0.00 0.38 0.00 0.00 41.96 42.95 3htt s TYR 82 CO 0.89 -0.57 0.11 0.42 -1.52 0.00 0.00 175.55 174.88 3htt s ILE 83 N -2.52 5.06 -0.22 -3.49 1.01 -0.93 -1.17 121.20 118.94 3htt s ILE 83 Ca 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 60.65 60.52 3htt s ILE 83 Cb -0.01 -3.25 0.01 0.00 0.01 0.00 0.00 42.46 39.22 3htt s ILE 83 CO -0.05 0.49 -0.09 -0.63 0.00 0.00 0.00 174.94 174.66 3htt s ILE 84 N -1.10 2.86 0.04 2.92 1.01 0.52 0.25 121.20 127.69 3htt s ILE 84 Ca 0.19 -0.78 0.04 0.00 0.00 0.00 0.00 60.65 60.10 3htt s ILE 84 Cb -0.12 -2.33 -0.04 0.00 0.01 0.00 0.00 42.46 39.99 3htt s ILE 84 CO 0.09 0.38 -0.04 -1.61 0.00 0.00 0.00 174.94 173.77 3htt s GLU 85 N 1.38 2.56 0.40 2.79 2.02 0.06 -2.34 118.70 125.57 3htt s GLU 85 Ca 0.04 -0.76 0.08 0.00 0.02 0.00 0.00 54.97 54.35 3htt s GLU 85 Cb -0.15 -2.53 -0.02 0.00 0.10 0.00 0.00 34.13 31.53 3htt s GLU 85 CO -0.06 0.58 0.37 0.99 0.02 0.00 0.00 175.26 177.16 3htt s THR 86 N -1.12 2.89 -1.62 3.63 2.01 -1.25 -1.23 115.64 118.94 3htt s THR 86 Ca 0.20 -1.32 0.15 0.00 0.31 0.00 0.00 61.69 61.03 3htt s THR 86 Cb -0.11 -3.04 0.31 0.00 0.01 0.00 0.00 72.50 69.67 3htt s THR 86 CO 0.12 -0.04 1.37 -1.54 -0.69 0.00 0.00 174.62 173.84 3htt n SER 87 N -1.53 0.00 -0.73 3.53 3.41 -1.26 -1.17 113.62 115.87 3htt n SER 87 Ca 0.03 -0.10 0.07 0.00 -0.26 0.00 0.00 58.87 58.60 3htt n SER 87 Cb 0.61 -0.19 0.20 0.00 -0.26 0.00 0.00 64.21 64.57 3htt n SER 87 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3htt n ASN 88 N -1.19 3.35 -4.50 4.04 3.02 -1.26 -4.85 115.26 113.86 3htt n ASN 88 Ca 0.08 -2.52 -0.44 0.00 -0.03 0.00 0.00 54.58 51.68 3htt n ASN 88 Cb 0.09 -0.38 -0.00 0.00 -0.61 0.00 0.00 39.78 38.88 3htt n ASN 88 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3htt s SER 89 N -1.49 6.95 0.00 6.41 0.01 -0.31 -3.94 113.70 121.32 3htt s SER 89 Ca 0.32 -2.69 0.00 0.00 1.31 0.00 0.00 55.95 54.88 3htt s SER 89 Cb 0.23 -2.46 0.00 0.00 0.21 0.00 0.00 66.02 64.00 3htt s SER 89 CO 0.12 -0.93 0.42 -0.62 0.41 0.00 0.00 173.24 172.63 3htt n GLU 90 N 6.68 -0.17 -3.14 12.44 1.02 0.06 -4.50 120.64 133.03 3htt n GLU 90 Ca 0.39 -0.42 -0.45 0.00 -0.02 0.00 0.00 57.16 56.66 3htt n GLU 90 Cb 0.45 -0.91 -0.03 0.00 -0.02 0.00 0.00 31.44 30.92 3htt n GLU 90 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 3htt s ASN 91 N -0.09 6.49 0.00 1.62 0.01 -0.34 -4.86 114.94 117.77 3htt s ASN 91 Ca 0.00 -2.03 0.00 0.00 -0.71 0.00 0.00 52.86 50.12 3htt s ASN 91 Cb 0.00 -2.29 0.00 0.00 0.41 0.00 0.00 41.25 39.37 3htt s ASN 91 CO 0.00 -0.91 0.00 0.61 -1.51 0.00 0.00 177.10 175.29 3htt n GLY 92 N 4.90 1.48 3.53 0.66 0.00 -1.26 -2.59 105.19 111.91 3htt n GLY 92 Ca 0.07 -0.10 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 3htt n GLY 92 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3htt s THR 93 N 1.29 4.44 0.36 2.61 -4.23 -1.26 -4.00 115.64 114.85 3htt s THR 93 Ca 0.00 -2.06 0.12 0.00 -1.18 0.00 0.00 61.69 58.57 3htt s THR 93 Cb 0.00 -5.07 0.34 0.00 1.34 0.00 0.00 72.50 69.11 3htt s THR 93 CO 0.00 -1.86 1.81 0.00 -0.54 0.00 0.00 174.62 174.03 3htt s TYR 95 N -5.66 3.24 0.21 0.00 5.04 -1.26 -4.62 117.35 114.30 3htt s TYR 95 Ca -0.10 0.59 -0.31 0.00 -2.44 0.00 0.00 57.07 54.81 3htt s TYR 95 Cb 0.24 -2.83 -0.16 0.00 0.35 0.00 0.00 41.96 39.57 3htt s TYR 95 CO 0.79 -0.37 1.00 -0.35 -1.34 0.00 0.00 175.55 175.29 3htt n PRO 96 N 5.67 0.97 0.00 4.97 -0.04 -1.26 -4.67 135.00 140.65 3htt n PRO 96 Ca -0.03 0.34 0.00 0.00 -0.04 0.00 0.00 63.50 63.77 3htt n PRO 96 Cb 0.49 -1.72 0.00 0.00 -0.04 0.00 0.00 33.50 32.24 3htt n PRO 96 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3htt n GLY 97 N 1.73 0.52 3.65 0.55 0.00 -1.26 -0.40 105.19 109.99 3htt n GLY 97 Ca 0.14 -1.17 -0.37 0.00 0.00 0.00 0.00 46.02 44.62 3htt n GLY 97 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3htt s GLU 98 N -2.00 4.07 -0.75 1.61 2.12 -1.22 -4.92 118.70 117.61 3htt s GLU 98 Ca 0.00 -0.19 -0.22 0.00 0.36 0.00 0.00 54.97 54.92 3htt s GLU 98 Cb 0.00 -3.56 0.08 0.00 0.26 0.00 0.00 34.13 30.92 3htt s GLU 98 CO 0.00 0.01 1.03 0.12 -0.54 0.00 0.00 175.26 175.88 3htt s PHE 99 N 1.21 2.77 0.20 5.30 5.99 -1.26 -1.35 117.98 130.85 3htt s PHE 99 Ca 0.10 -0.77 -0.33 0.00 0.00 0.00 0.00 56.93 55.93 3htt s PHE 99 Cb -0.14 -4.32 -0.13 0.00 0.00 0.00 0.00 43.02 38.43 3htt s PHE 99 CO 0.06 -1.63 1.58 -0.89 -0.00 0.00 0.00 175.22 174.34 3htt n ILE 100 N 5.87 0.30 -3.96 3.12 2.08 -0.40 -2.19 119.36 124.18 3htt n ILE 100 Ca 0.05 -0.07 -0.31 0.00 0.56 0.00 0.00 62.75 62.98 3htt n ILE 100 Cb 0.47 -1.68 0.02 0.00 -0.75 0.00 0.00 39.64 37.70 3htt n ILE 100 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 3htt n ASP 101 N 3.16 -4.67 0.26 4.38 8.00 -1.26 -4.75 116.55 121.67 3htt n ASP 101 Ca 0.15 -0.81 -0.16 0.00 0.71 0.00 0.00 54.79 54.68 3htt n ASP 101 Cb 0.32 -3.74 -0.08 0.00 -0.02 0.00 0.00 41.12 37.59 3htt n ASP 101 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 3htt h TYR 102 N -2.02 -0.57 -0.39 1.24 3.20 -1.83 -1.85 116.97 114.75 3htt h TYR 102 Ca -0.58 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 61.35 3htt h TYR 102 Cb 1.38 0.19 -0.08 0.00 1.54 0.00 0.00 36.73 39.76 3htt h TYR 102 CO 0.58 -0.33 -0.12 0.93 -1.64 0.00 0.00 178.16 177.57 3htt h GLU 103 N -0.66 -0.04 -0.80 1.82 3.07 -1.90 0.44 114.58 116.51 3htt h GLU 103 Ca -0.06 0.00 0.14 0.00 -0.50 0.00 0.00 59.36 58.94 3htt h GLU 103 Cb 0.50 0.01 -0.09 0.00 -0.84 0.00 0.00 28.75 28.32 3htt h GLU 103 CO 0.10 -0.02 0.39 1.49 -1.40 0.00 0.00 179.01 179.57 3htt h GLU 104 N -0.04 0.55 -0.24 2.33 4.57 -1.93 0.51 114.58 120.34 3htt h GLU 104 Ca 0.19 -0.03 -0.05 0.00 -1.18 0.00 0.00 59.36 58.28 3htt h GLU 104 Cb 0.33 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.78 3htt h GLU 104 CO -0.42 0.37 -0.05 1.25 -1.18 0.00 0.00 179.01 178.98 3htt h LEU 105 N 0.57 0.47 -0.46 1.64 5.85 -0.27 -1.32 115.31 121.78 3htt h LEU 105 Ca 0.44 -0.36 0.08 0.00 0.84 0.00 0.00 57.88 58.88 3htt h LEU 105 Cb 0.61 -0.13 -0.07 0.00 0.37 0.00 0.00 40.66 41.45 3htt h LEU 105 CO -0.36 0.71 0.06 0.03 -0.34 0.00 0.00 178.44 178.54 3htt h ARG 106 N 0.21 0.18 -0.01 1.25 3.08 0.09 -1.08 114.38 118.10 3htt h ARG 106 Ca 0.06 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.12 3htt h ARG 106 Cb 0.50 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.49 3htt h ARG 106 CO 0.02 0.12 -0.09 1.49 -1.07 0.00 0.00 179.97 180.44 3htt h GLU 107 N 0.19 -0.15 0.00 0.04 4.57 -0.78 -2.53 114.58 115.92 3htt h GLU 107 Ca 0.23 0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 58.39 3htt h GLU 107 Cb 0.32 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.93 3htt h GLU 107 CO -0.33 -0.10 -0.17 1.96 -1.18 0.00 0.00 179.01 179.19 3htt h GLN 108 N -0.16 0.00 -0.42 1.92 4.20 -0.57 -2.79 115.11 117.29 3htt h GLN 108 Ca 0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.75 3htt h GLN 108 Cb 0.20 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.98 3htt h GLN 108 CO -0.10 0.17 0.00 1.28 -0.67 0.00 0.00 178.83 179.51 3htt n LEU 109 N -4.33 2.99 -0.26 1.46 4.77 -0.47 -4.42 117.00 116.73 3htt n LEU 109 Ca -0.02 -1.36 0.18 0.00 -0.03 0.00 0.00 56.01 54.77 3htt n LEU 109 Cb 0.23 -0.27 0.47 0.00 -2.33 0.00 0.00 43.42 41.52 3htt n LEU 109 CO 0.36 0.68 1.22 0.28 -1.33 0.00 0.00 177.39 178.60 3htt h SER 110 N 3.64 0.49 -3.86 -1.43 0.02 -1.17 -3.40 113.55 107.84 3htt h SER 110 Ca 0.00 0.05 -0.43 0.00 -0.84 0.00 0.00 61.79 60.57 3htt h SER 110 Cb 0.81 -0.04 -0.30 0.00 0.14 0.00 0.00 62.40 63.01 3htt h SER 110 CO 0.00 0.20 -0.79 -0.55 -1.14 0.00 0.00 176.83 174.55 3htt s SER 111 N -5.61 1.23 -0.13 3.07 0.15 -1.26 -3.58 113.70 107.57 3htt s SER 111 Ca -0.09 -0.19 -0.07 0.00 0.70 0.00 0.00 55.95 56.30 3htt s SER 111 Cb 0.23 -0.29 0.05 0.00 -1.71 0.00 0.00 66.02 64.30 3htt s SER 111 CO 0.79 0.08 0.31 -0.69 1.20 0.00 0.00 173.24 174.93 3htt s VAL 112 N 0.11 -0.03 -0.04 4.45 1.01 -1.19 -4.66 120.40 120.05 3htt s VAL 112 Ca -0.02 0.12 -0.05 0.00 0.00 0.00 0.00 61.98 62.03 3htt s VAL 112 Cb -0.08 -0.47 -0.03 0.00 0.00 0.00 0.00 36.38 35.80 3htt s VAL 112 CO 0.00 0.05 0.30 -1.28 0.00 0.00 0.00 175.10 174.17 3htt h SER 113 N 7.11 -0.16 -3.62 3.32 0.87 -0.85 -3.36 113.55 116.85 3htt h SER 113 Ca -0.39 0.01 -0.67 0.00 -1.23 0.00 0.00 61.79 59.51 3htt h SER 113 Cb 1.17 0.04 -0.19 0.00 -0.44 0.00 0.00 62.40 62.98 3htt h SER 113 CO 0.34 0.13 -0.82 -0.94 -0.53 0.00 0.00 176.83 175.01 3htt s SER 114 N -4.33 3.63 -0.29 6.23 1.04 -1.24 -4.20 113.70 114.54 3htt s SER 114 Ca -0.03 -0.69 -0.02 0.00 0.48 0.00 0.00 55.95 55.70 3htt s SER 114 Cb 0.00 -0.39 0.18 0.00 0.10 0.00 0.00 66.02 65.91 3htt s SER 114 CO 0.08 0.16 0.56 0.12 0.98 0.00 0.00 173.24 175.14 3htt s PHE 115 N -1.27 -1.44 -0.09 5.02 2.19 -1.26 -0.30 117.98 120.83 3htt s PHE 115 Ca 0.18 1.57 0.04 0.00 0.33 0.00 0.00 56.93 59.05 3htt s PHE 115 Cb -0.10 0.47 -0.00 0.00 -1.31 0.00 0.00 43.02 42.08 3htt s PHE 115 CO 0.09 -0.84 -0.24 -1.21 1.83 0.00 0.00 175.22 174.86 3htt s GLU 116 N 2.80 2.99 -0.31 10.12 8.01 0.32 -4.77 118.70 137.85 3htt s GLU 116 Ca 0.18 -0.88 -0.16 0.00 0.01 0.00 0.00 54.97 54.12 3htt s GLU 116 Cb -0.15 -2.29 -0.02 0.00 -4.31 0.00 0.00 34.13 27.36 3htt s GLU 116 CO -0.20 0.21 0.43 0.50 0.01 0.00 0.00 175.26 176.21 3htt s ARG 117 N 0.27 3.78 0.24 1.61 3.52 -1.26 0.54 118.95 127.65 3htt s ARG 117 Ca -0.16 -0.11 0.08 0.00 -0.13 0.00 0.00 55.73 55.40 3htt s ARG 117 Cb -0.17 -3.74 -0.05 0.00 -1.56 0.00 0.00 34.95 29.42 3htt s ARG 117 CO 0.08 -0.46 -0.11 -0.59 -0.81 0.00 0.00 175.30 173.40 3htt s PHE 118 N 2.18 1.85 -0.63 5.12 -0.12 -0.33 -4.98 117.98 121.08 3htt s PHE 118 Ca 0.16 -0.61 -0.25 0.00 -0.05 0.00 0.00 56.93 56.19 3htt s PHE 118 Cb -0.16 -0.94 0.05 0.00 -0.63 0.00 0.00 43.02 41.34 3htt s PHE 118 CO 0.11 0.35 1.05 -2.00 -0.05 0.00 0.00 175.22 174.69 3htt s GLU 119 N -3.67 3.25 0.04 1.99 2.12 -1.26 -0.79 118.70 120.38 3htt s GLU 119 Ca 0.26 -0.38 -0.16 0.00 0.36 0.00 0.00 54.97 55.05 3htt s GLU 119 Cb 0.01 -4.13 -0.29 0.00 0.26 0.00 0.00 34.13 29.97 3htt s GLU 119 CO 0.09 -1.76 1.08 0.97 -0.54 0.00 0.00 175.26 175.11 3htt h ILE 120 N 6.02 1.30 -2.88 -3.70 2.10 -1.51 -3.41 117.51 115.44 3htt h ILE 120 Ca -0.27 -2.45 -0.61 0.00 1.08 0.00 0.00 64.86 62.61 3htt h ILE 120 Cb 1.07 2.74 -0.40 0.00 -1.09 0.00 0.00 36.82 39.14 3htt h ILE 120 CO 1.17 0.74 -0.76 -0.36 -1.08 0.00 0.00 178.15 177.86 3htt s PHE 121 N -2.94 1.91 -0.27 2.19 2.99 -0.96 -5.02 117.98 115.89 3htt s PHE 121 Ca -0.10 -2.43 -0.40 0.00 0.00 0.00 0.00 56.93 54.00 3htt s PHE 121 Cb 0.05 -1.75 -0.15 0.00 0.00 0.00 0.00 43.02 41.16 3htt s PHE 121 CO 0.92 -0.77 1.78 -2.30 -0.00 0.00 0.00 175.22 174.85 3htt n PRO 122 N 3.34 1.25 -0.15 0.24 -0.02 -1.26 -4.57 135.00 133.82 3htt n PRO 122 Ca 0.13 0.46 -0.03 0.00 -2.02 0.00 0.00 63.50 62.04 3htt n PRO 122 Cb 0.37 -2.17 0.05 0.00 -0.02 0.00 0.00 33.50 31.73 3htt n PRO 122 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3htt h LYS 123 N 7.56 0.06 -6.24 -0.52 3.64 -1.95 -3.31 116.57 115.80 3htt h LYS 123 Ca -0.46 -0.00 -0.58 0.00 -1.27 0.00 0.00 60.65 58.34 3htt h LYS 123 Cb 1.31 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 33.10 3htt h LYS 123 CO 0.96 0.04 1.28 0.00 -2.27 0.00 0.00 179.45 179.47 3htt s ALA 124 N -6.19 2.92 -0.15 5.00 0.00 -1.26 -4.10 121.76 117.97 3htt s ALA 124 Ca -0.14 0.37 -0.02 0.00 0.00 0.00 0.00 51.96 52.18 3htt s ALA 124 Cb 0.16 -4.00 0.01 0.00 0.00 0.00 0.00 23.12 19.29 3htt s ALA 124 CO 0.72 -2.54 0.04 0.43 0.00 0.00 0.00 175.76 174.41 3htt n SER 125 N 10.16 -6.37 0.00 0.00 7.64 -1.26 -4.92 113.62 118.87 3htt n SER 125 Ca 0.23 1.04 0.00 0.00 1.01 0.00 0.00 58.87 61.15 3htt n SER 125 Cb 0.46 -3.67 0.00 0.00 -1.01 0.00 0.00 64.21 59.99 3htt n SER 125 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 3htt n SER 126 N 1.26 0.00 -2.55 6.43 2.88 -1.24 -4.83 113.62 115.56 3htt n SER 126 Ca -0.06 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.29 3htt n SER 126 Cb 0.26 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.74 3htt n SER 126 CO 0.00 0.00 0.00 0.79 -1.23 0.00 0.00 175.04 174.60 3htt n TRP 127 N -0.45 2.37 -0.64 0.66 7.02 -1.26 -5.03 117.44 120.11 3htt n TRP 127 Ca 0.00 -2.93 -0.31 0.00 -1.02 0.00 0.00 57.50 53.24 3htt n TRP 127 Cb 0.00 -0.22 0.19 0.00 -2.42 0.00 0.00 31.31 28.86 3htt n TRP 127 CO 0.00 0.00 0.00 -2.30 -2.02 0.00 0.00 177.69 173.37 3htt n PRO 128 N -0.31 -1.55 -3.98 -0.99 -0.02 -1.26 -2.46 135.00 124.43 3htt n PRO 128 Ca 0.25 -0.42 -0.32 0.00 -2.02 0.00 0.00 63.50 61.00 3htt n PRO 128 Cb 0.74 -1.90 0.01 0.00 -0.02 0.00 0.00 33.50 32.33 3htt n PRO 128 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3htt n ASN 129 N -2.71 -4.43 -3.61 2.55 0.23 -1.26 -4.94 115.26 101.09 3htt n ASN 129 Ca 0.03 -0.83 -0.14 0.00 -0.53 0.00 0.00 54.58 53.11 3htt n ASN 129 Cb 0.58 -3.63 -0.07 0.00 -2.08 0.00 0.00 39.78 34.58 3htt n ASN 129 CO 0.00 0.00 0.00 -1.00 -0.93 0.00 0.00 177.26 175.33 3htt s HIS 130 N -3.31 -0.75 0.56 -2.53 3.76 -1.03 -4.68 115.29 107.32 3htt s HIS 130 Ca 0.67 1.76 -0.08 0.00 -0.15 0.00 0.00 55.06 57.26 3htt s HIS 130 Cb -0.34 0.30 -0.03 0.00 1.11 0.00 0.00 32.58 33.61 3htt s HIS 130 CO 0.85 -0.41 0.92 -2.00 -0.85 0.00 0.00 174.74 173.25 3htt s GLU 131 N 0.12 3.45 0.00 1.40 2.56 0.07 -4.89 118.70 121.42 3htt s GLU 131 Ca -0.02 0.42 0.00 0.00 0.00 0.00 0.00 54.97 55.37 3htt s GLU 131 Cb -0.04 -2.22 0.00 0.00 2.00 0.00 0.00 34.13 33.87 3htt s GLU 131 CO 0.02 -0.46 0.00 -2.37 -0.56 0.00 0.00 175.26 171.89 3htt n THR 132 N -2.54 0.00 0.51 -1.70 5.66 -1.26 -0.27 114.28 114.68 3htt n THR 132 Ca 0.04 0.00 0.05 0.00 -3.05 0.00 0.00 64.05 61.09 3htt n THR 132 Cb 0.55 -0.10 -0.07 0.00 -1.55 0.00 0.00 70.33 69.16 3htt n THR 132 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 3htt n LYS 133 N 0.38 3.04 -1.01 1.09 4.76 -1.26 -4.86 118.16 120.30 3htt n LYS 133 Ca 0.00 -0.01 -0.32 0.00 -2.87 0.00 0.00 58.31 55.11 3htt n LYS 133 Cb 0.03 -1.06 -0.11 0.00 -1.84 0.00 0.00 35.03 32.05 3htt n LYS 133 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3htt n GLY 134 N 1.30 0.27 3.10 0.72 0.00 -1.22 -4.78 105.19 104.59 3htt n GLY 134 Ca 0.02 -0.55 -0.11 0.00 0.00 0.00 0.00 46.02 45.38 3htt n GLY 134 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3htt s VAL 135 N 11.09 0.08 0.06 1.61 1.01 -1.26 -4.56 120.40 128.44 3htt s VAL 135 Ca 0.73 -0.70 -0.03 0.00 0.00 0.00 0.00 61.98 61.99 3htt s VAL 135 Cb 0.07 -0.43 -0.03 0.00 0.00 0.00 0.00 36.38 35.99 3htt s VAL 135 CO 0.27 -0.38 0.03 0.28 0.00 0.00 0.00 175.10 175.29 3htt s THR 136 N -1.39 0.19 -0.30 3.92 -1.32 0.14 -4.88 115.64 112.01 3htt s THR 136 Ca -0.15 -1.60 0.23 0.00 -1.21 0.00 0.00 61.69 58.96 3htt s THR 136 Cb -0.08 -1.41 0.29 0.00 -1.51 0.00 0.00 72.50 69.79 3htt s THR 136 CO 0.02 -0.88 1.63 0.00 -2.21 0.00 0.00 174.62 173.17 3htt h ALA 137 N 3.12 0.94 -0.31 11.08 0.00 -1.93 -1.93 119.26 130.22 3htt h ALA 137 Ca -0.34 -0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.32 3htt h ALA 137 Cb 1.16 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 3htt h ALA 137 CO 0.62 0.13 -0.41 0.00 0.00 0.00 0.00 179.25 179.60 3htt h ALA 138 N 1.89 0.69 -1.03 0.00 0.00 -1.88 -3.11 119.26 115.83 3htt h ALA 138 Ca -0.00 -0.45 -0.73 0.00 0.00 0.00 0.00 54.91 53.72 3htt h ALA 138 Cb 1.01 -0.11 -0.29 0.00 0.00 0.00 0.00 17.79 18.40 3htt h ALA 138 CO 0.01 0.67 0.88 0.00 0.00 0.00 0.00 179.25 180.81 3htt s SER 140 N -1.45 6.95 -0.35 0.00 1.04 -1.18 -2.33 113.70 116.39 3htt s SER 140 Ca 0.55 2.16 -0.07 0.00 0.48 0.00 0.00 55.95 59.06 3htt s SER 140 Cb 0.45 -2.58 0.04 0.00 0.10 0.00 0.00 66.02 64.03 3htt s SER 140 CO -0.31 -0.57 0.13 -0.47 0.98 0.00 0.00 173.24 173.01 3htt s TYR 141 N 1.14 3.26 -0.86 5.02 5.04 0.12 -4.69 117.35 126.38 3htt s TYR 141 Ca 0.62 -1.33 -0.04 0.00 -2.44 0.00 0.00 57.07 53.88 3htt s TYR 141 Cb -0.33 -2.34 -0.01 0.00 0.35 0.00 0.00 41.96 39.63 3htt s TYR 141 CO 0.29 -0.72 0.72 1.19 -1.34 0.00 0.00 175.55 175.70 3htt n PHE 142 N 4.86 -2.57 0.00 4.97 0.99 -1.26 -2.41 117.46 122.03 3htt n PHE 142 Ca -0.12 0.94 0.00 0.00 -0.00 0.00 0.00 57.45 58.27 3htt n PHE 142 Cb 0.45 -3.74 0.00 0.00 -1.00 0.00 0.00 39.48 35.18 3htt n PHE 142 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3htt n GLY 143 N -1.66 0.84 3.85 1.37 0.00 -1.26 -4.92 105.19 103.41 3htt n GLY 143 Ca -0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.62 3htt n GLY 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3htt s ALA 144 N 0.00 3.01 0.18 4.61 0.00 -1.01 -5.01 121.76 123.54 3htt s ALA 144 Ca 0.00 0.04 -0.30 0.00 0.00 0.00 0.00 51.96 51.70 3htt s ALA 144 Cb 0.00 -3.11 -0.08 0.00 0.00 0.00 0.00 23.12 19.93 3htt s ALA 144 CO 0.00 -0.66 0.95 -1.12 0.00 0.00 0.00 175.76 174.93 3htt s SER 145 N -3.75 7.58 0.00 0.00 0.01 -1.26 0.14 113.70 116.42 3htt s SER 145 Ca 0.57 1.88 0.00 0.00 1.31 0.00 0.00 55.95 59.71 3htt s SER 145 Cb -0.11 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.52 3htt s SER 145 CO 0.47 0.06 0.00 -0.24 0.41 0.00 0.00 173.24 173.94 3htt n SER 146 N 2.06 0.00 -3.72 2.44 2.88 -0.73 -4.69 113.62 111.85 3htt n SER 146 Ca -0.00 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.50 3htt n SER 146 Cb 0.48 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.93 3htt n SER 146 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 3htt s PHE 147 N -0.08 -0.14 0.76 0.66 5.36 -1.20 0.29 117.98 123.63 3htt s PHE 147 Ca 0.00 -0.13 -0.16 0.00 -0.96 0.00 0.00 56.93 55.68 3htt s PHE 147 Cb 0.00 0.62 -0.02 0.00 -0.34 0.00 0.00 43.02 43.29 3htt s PHE 147 CO 0.00 -0.76 0.61 0.66 -1.46 0.00 0.00 175.22 174.26 3htt n TYR 148 N -0.45 -0.58 1.04 10.12 4.02 -1.26 -4.49 117.16 125.55 3htt n TYR 148 Ca -0.06 0.34 0.11 0.00 -0.01 0.00 0.00 57.90 58.28 3htt n TYR 148 Cb 0.61 -1.93 0.10 0.00 -0.02 0.00 0.00 39.34 38.10 3htt n TYR 148 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 3htt n ARG 149 N -1.14 0.29 0.00 -0.72 1.74 0.51 -4.20 116.66 113.14 3htt n ARG 149 Ca 0.10 -0.21 0.05 0.00 -0.77 0.00 0.00 57.85 57.02 3htt n ARG 149 Cb 0.50 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.45 3htt n ARG 149 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3htt n ASN 150 N -1.17 1.32 -4.41 0.55 3.02 -0.91 -4.64 115.26 109.02 3htt n ASN 150 Ca 0.06 -1.16 -0.25 0.00 -0.03 0.00 0.00 54.58 53.21 3htt n ASN 150 Cb 0.35 0.44 -0.11 0.00 -0.61 0.00 0.00 39.78 39.86 3htt n ASN 150 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3htt s LEU 151 N -1.65 2.48 -0.11 3.41 1.43 -1.26 0.01 118.68 123.00 3htt s LEU 151 Ca 0.09 -0.92 0.01 0.00 -1.03 0.00 0.00 54.13 52.29 3htt s LEU 151 Cb 0.09 -1.05 0.02 0.00 0.03 0.00 0.00 46.19 45.28 3htt s LEU 151 CO 0.27 0.05 -0.13 -0.22 0.23 0.00 0.00 176.35 176.55 3htt s LEU 152 N -2.93 1.60 -1.02 1.79 1.98 0.43 -4.71 118.68 115.82 3htt s LEU 152 Ca 0.22 -0.39 -0.20 0.00 -2.89 0.00 0.00 54.13 50.88 3htt s LEU 152 Cb -0.06 -1.00 0.10 0.00 0.66 0.00 0.00 46.19 45.88 3htt s LEU 152 CO 0.10 -0.02 1.33 0.86 -1.89 0.00 0.00 176.35 176.74 3htt s TRP 153 N 1.12 2.90 0.02 5.38 -0.11 -1.26 -2.01 118.94 124.99 3htt s TRP 153 Ca -0.05 -1.27 -0.30 0.00 1.22 0.00 0.00 56.10 55.70 3htt s TRP 153 Cb -0.14 -4.49 -0.05 0.00 -1.50 0.00 0.00 33.47 27.29 3htt s TRP 153 CO -0.03 -1.68 1.18 0.42 -4.62 0.00 0.00 176.95 172.22 3htt s ILE 154 N 3.59 4.16 0.10 5.86 1.01 -1.25 -3.39 121.20 131.27 3htt s ILE 154 Ca 0.41 1.54 0.05 0.00 0.00 0.00 0.00 60.65 62.64 3htt s ILE 154 Cb -0.02 -3.99 -0.03 0.00 0.01 0.00 0.00 42.46 38.43 3htt s ILE 154 CO -0.07 0.09 -0.13 0.42 0.00 0.00 0.00 174.94 175.24 3htt s THR 155 N 1.38 1.15 0.08 2.92 -4.23 0.63 -4.74 115.64 112.84 3htt s THR 155 Ca 0.57 -1.54 -0.34 0.00 -1.18 0.00 0.00 61.69 59.21 3htt s THR 155 Cb -0.28 -1.31 -0.18 0.00 1.34 0.00 0.00 72.50 72.07 3htt s THR 155 CO 0.27 -0.37 0.82 1.17 -0.54 0.00 0.00 174.62 175.97 3htt n LYS 156 N 0.83 0.00 -3.25 3.99 4.81 -0.26 -0.75 118.16 123.53 3htt n LYS 156 Ca -0.18 0.00 -0.40 0.00 -0.87 0.00 0.00 58.31 56.86 3htt n LYS 156 Cb 0.56 -1.26 -0.08 0.00 0.02 0.00 0.00 35.03 34.27 3htt n LYS 156 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 3htt s LYS 157 N -0.40 4.00 3.63 1.64 2.47 -0.98 -4.37 119.74 125.73 3htt s LYS 157 Ca 0.78 0.22 0.00 0.00 -1.56 0.00 0.00 55.97 55.41 3htt s LYS 157 Cb -1.10 -3.68 0.00 0.00 -1.46 0.00 0.00 37.83 31.59 3htt s LYS 157 CO 0.55 -0.39 0.00 0.41 0.16 0.00 0.00 175.35 176.08 3htt n GLY 158 N 4.49 0.79 0.87 5.54 0.00 -1.26 -1.14 105.19 114.48 3htt n GLY 158 Ca -0.05 0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.43 3htt n GLY 158 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3htt n THR 159 N 0.00 0.00 -3.94 2.61 -2.24 -1.26 -5.07 114.28 104.38 3htt n THR 159 Ca 0.00 -0.31 -0.16 0.00 -2.27 0.00 0.00 64.05 61.31 3htt n THR 159 Cb 0.00 0.58 -0.16 0.00 -2.10 0.00 0.00 70.33 68.65 3htt n THR 159 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3htt s SER 160 N -1.15 0.36 -0.63 3.42 1.04 -0.29 -4.99 113.70 111.46 3htt s SER 160 Ca 0.11 -0.03 0.04 0.00 0.48 0.00 0.00 55.95 56.55 3htt s SER 160 Cb 0.12 -0.16 0.15 0.00 0.10 0.00 0.00 66.02 66.23 3htt s SER 160 CO -0.05 -0.07 0.40 -0.47 0.98 0.00 0.00 173.24 174.03 3htt s TYR 161 N 0.75 3.42 0.52 5.02 5.04 -1.26 -2.33 117.35 128.52 3htt s TYR 161 Ca -0.07 -3.26 -0.21 0.00 -2.44 0.00 0.00 57.07 51.08 3htt s TYR 161 Cb -0.11 -2.77 -0.06 0.00 0.35 0.00 0.00 41.96 39.38 3htt s TYR 161 CO -0.01 -0.63 1.24 -1.25 -1.34 0.00 0.00 175.55 173.56 3htt s PRO 162 N -0.97 3.35 -0.01 4.97 0.04 -1.26 -4.85 135.00 136.27 3htt s PRO 162 Ca 0.22 1.94 -0.30 0.00 0.04 0.00 0.00 61.00 62.90 3htt s PRO 162 Cb -0.13 -2.23 -0.08 0.00 0.04 0.00 0.00 34.50 32.09 3htt s PRO 162 CO -0.10 -0.94 1.95 0.21 0.04 0.00 0.00 177.00 178.16 3htt s LYS 163 N -2.93 4.03 0.28 4.56 2.36 -1.26 -4.84 119.74 121.94 3htt s LYS 163 Ca 0.70 2.48 -0.01 0.00 -2.55 0.00 0.00 55.97 56.59 3htt s LYS 163 Cb -0.33 -4.16 -0.04 0.00 -1.05 0.00 0.00 37.83 32.25 3htt s LYS 163 CO 0.39 -1.07 0.48 -0.48 1.55 0.00 0.00 175.35 176.22 3htt s LEU 164 N 4.82 4.11 -0.15 5.43 0.05 -0.49 -4.92 118.68 127.53 3htt s LEU 164 Ca 0.87 0.47 -0.11 0.00 0.05 0.00 0.00 54.13 55.41 3htt s LEU 164 Cb -0.40 -3.29 0.04 0.00 -2.05 0.00 0.00 46.19 40.50 3htt s LEU 164 CO 0.39 -0.17 0.38 -0.55 -0.55 0.00 0.00 176.35 175.85 3htt s SER 165 N -3.53 -0.42 -0.28 1.48 0.15 -1.26 -1.58 113.70 108.26 3htt s SER 165 Ca 0.40 0.78 -0.20 0.00 0.70 0.00 0.00 55.95 57.63 3htt s SER 165 Cb -0.10 0.74 0.08 0.00 -1.71 0.00 0.00 66.02 65.03 3htt s SER 165 CO 0.32 -0.15 0.71 -0.54 1.20 0.00 0.00 173.24 174.77 3htt s LYS 166 N 0.63 0.77 0.29 5.44 -0.14 0.92 -4.98 119.74 122.65 3htt s LYS 166 Ca -0.03 1.12 0.09 0.00 -1.36 0.00 0.00 55.97 55.78 3htt s LYS 166 Cb -0.05 0.26 -0.06 0.00 -1.68 0.00 0.00 37.83 36.31 3htt s LYS 166 CO -0.04 -0.13 -0.12 -1.12 -0.76 0.00 0.00 175.35 173.18 3htt s SER 167 N 1.05 3.23 -0.10 2.83 0.01 -1.26 0.31 113.70 119.76 3htt s SER 167 Ca -0.05 -1.12 -0.06 0.00 1.31 0.00 0.00 55.95 56.03 3htt s SER 167 Cb -0.05 -0.25 0.04 0.00 0.21 0.00 0.00 66.02 65.97 3htt s SER 167 CO -0.10 -0.17 0.24 -0.47 0.41 0.00 0.00 173.24 173.15 3htt s TYR 168 N -2.76 -0.31 -0.13 2.43 5.04 -0.06 -4.98 117.35 116.59 3htt s TYR 168 Ca 0.29 0.75 -0.02 0.00 -2.44 0.00 0.00 57.07 55.65 3htt s TYR 168 Cb 0.00 0.05 -0.03 0.00 0.35 0.00 0.00 41.96 42.33 3htt s TYR 168 CO 0.13 -0.22 -0.05 0.95 -1.34 0.00 0.00 175.55 175.03 3htt s THR 169 N 1.10 3.81 -0.62 4.34 -4.23 -1.26 -0.85 115.64 117.92 3htt s THR 169 Ca -0.08 -0.40 -0.27 0.00 -1.18 0.00 0.00 61.69 59.76 3htt s THR 169 Cb -0.09 -2.63 -0.00 0.00 1.34 0.00 0.00 72.50 71.12 3htt s THR 169 CO -0.07 0.53 1.62 0.21 -0.54 0.00 0.00 174.62 176.37 3htt s ASN 170 N -0.02 5.70 -0.07 3.99 3.84 -0.29 -4.73 114.94 123.36 3htt s ASN 170 Ca 0.01 0.16 0.11 0.00 0.21 0.00 0.00 52.86 53.34 3htt s ASN 170 Cb -0.13 -2.54 0.27 0.00 -0.55 0.00 0.00 41.25 38.30 3htt s ASN 170 CO 0.03 -2.08 1.20 0.59 -2.79 0.00 0.00 177.10 174.05 3htt n ASN 171 N 11.13 2.76 0.00 -4.21 3.02 -1.26 -0.22 115.26 126.48 3htt n ASN 171 Ca 0.14 -2.50 0.11 0.00 -0.03 0.00 0.00 54.58 52.30 3htt n ASN 171 Cb 0.50 -0.29 0.47 0.00 -0.61 0.00 0.00 39.78 39.86 3htt n ASN 171 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3htt n LYS 172 N -0.47 0.01 -2.47 3.52 4.76 -1.26 -4.90 118.16 117.36 3htt n LYS 172 Ca 0.12 0.12 -0.11 0.00 -2.87 0.00 0.00 58.31 55.56 3htt n LYS 172 Cb 0.54 -1.50 0.01 0.00 -1.84 0.00 0.00 35.03 32.24 3htt n LYS 172 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3htt n GLY 173 N 0.77 -0.01 3.62 0.72 0.00 -1.26 -4.99 105.19 104.05 3htt n GLY 173 Ca 0.06 -0.36 -0.03 0.00 0.00 0.00 0.00 46.02 45.69 3htt n GLY 173 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3htt s LYS 174 N -4.89 0.14 0.46 1.61 -2.85 -1.26 -5.04 119.74 107.91 3htt s LYS 174 Ca 0.09 -0.05 -0.23 0.00 -1.00 0.00 0.00 55.97 54.78 3htt s LYS 174 Cb -0.04 0.06 -0.10 0.00 -2.06 0.00 0.00 37.83 35.70 3htt s LYS 174 CO 0.11 -0.06 0.91 0.39 0.10 0.00 0.00 175.35 176.80 3htt n GLU 175 N -0.07 1.12 -4.39 1.78 1.02 -1.23 -4.50 120.64 114.37 3htt n GLU 175 Ca 0.03 0.41 -0.29 0.00 -0.02 0.00 0.00 57.16 57.29 3htt n GLU 175 Cb 0.57 -1.97 -0.17 0.00 -0.02 0.00 0.00 31.44 29.85 3htt n GLU 175 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3htt s VAL 176 N -1.37 1.54 -0.32 2.62 1.01 -0.87 -1.52 120.40 121.48 3htt s VAL 176 Ca 0.66 -0.66 -0.24 0.00 0.00 0.00 0.00 61.98 61.74 3htt s VAL 176 Cb -0.53 -1.41 0.00 0.00 0.00 0.00 0.00 36.38 34.44 3htt s VAL 176 CO 0.55 0.45 0.80 -0.22 0.00 0.00 0.00 175.10 176.69 3htt s LEU 177 N 1.07 4.09 -0.29 3.92 2.96 0.15 -0.58 118.68 129.99 3htt s LEU 177 Ca -0.05 0.61 -0.04 0.00 -0.22 0.00 0.00 54.13 54.43 3htt s LEU 177 Cb -0.15 -3.09 0.03 0.00 0.50 0.00 0.00 46.19 43.48 3htt s LEU 177 CO -0.03 -0.66 0.02 -0.69 -1.32 0.00 0.00 176.35 173.67 3htt s VAL 178 N 3.04 3.38 0.05 1.68 1.01 -0.53 -1.92 120.40 127.11 3htt s VAL 178 Ca 0.33 -1.03 0.01 0.00 0.00 0.00 0.00 61.98 61.28 3htt s VAL 178 Cb -0.14 -2.81 -0.04 0.00 0.00 0.00 0.00 36.38 33.39 3htt s VAL 178 CO 0.14 0.02 0.13 -0.76 0.00 0.00 0.00 175.10 174.64 3htt s LEU 179 N 1.37 4.06 0.29 3.92 1.43 -1.26 -2.47 118.68 126.03 3htt s LEU 179 Ca -0.01 0.15 -0.20 0.00 -1.03 0.00 0.00 54.13 53.04 3htt s LEU 179 Cb -0.18 -2.61 0.04 0.00 0.03 0.00 0.00 46.19 43.47 3htt s LEU 179 CO -0.00 0.20 0.77 -1.66 0.23 0.00 0.00 176.35 175.89 3htt s TRP 180 N -1.38 -0.09 0.20 0.29 -2.14 -0.51 -4.09 118.94 111.22 3htt s TRP 180 Ca 0.30 -0.42 -0.05 0.00 2.66 0.00 0.00 56.10 58.58 3htt s TRP 180 Cb -0.12 0.74 -0.03 0.00 -3.10 0.00 0.00 33.47 30.96 3htt s TRP 180 CO 0.22 -1.29 0.23 0.20 -2.66 0.00 0.00 176.95 173.66 3htt s GLY 181 N -2.98 1.00 -0.07 3.67 0.00 -0.56 0.74 107.32 109.12 3htt s GLY 181 Ca 0.13 -1.33 0.00 0.00 0.00 0.00 0.00 44.72 43.52 3htt s GLY 181 CO 0.08 -1.11 -0.05 0.14 0.00 0.00 0.00 173.10 172.16 3htt s VAL 182 N -4.08 0.70 0.11 1.40 1.01 -0.60 -0.76 120.40 118.18 3htt s VAL 182 Ca 0.29 -0.15 -0.21 0.00 0.00 0.00 0.00 61.98 61.91 3htt s VAL 182 Cb 0.05 -0.74 -0.07 0.00 0.00 0.00 0.00 36.38 35.61 3htt s VAL 182 CO 0.08 0.29 0.64 -2.28 0.00 0.00 0.00 175.10 173.83 3htt s HIS 183 N 1.33 3.82 -0.31 5.22 2.46 0.67 -1.94 115.29 126.54 3htt s HIS 183 Ca -0.04 1.39 0.02 0.00 0.47 0.00 0.00 55.06 56.90 3htt s HIS 183 Cb -0.14 -2.58 0.09 0.00 -0.13 0.00 0.00 32.58 29.82 3htt s HIS 183 CO -0.03 0.55 0.04 -1.01 -2.47 0.00 0.00 174.74 171.82 3htt s HIS 184 N -1.16 3.09 0.75 3.88 3.76 0.18 -4.77 115.29 121.02 3htt s HIS 184 Ca 0.32 -2.52 -0.14 0.00 -0.15 0.00 0.00 55.06 52.58 3htt s HIS 184 Cb -0.20 -2.42 0.05 0.00 1.11 0.00 0.00 32.58 31.12 3htt s HIS 184 CO 0.21 -0.91 1.16 -2.14 -0.85 0.00 0.00 174.74 172.21 3htt s PRO 185 N 1.14 2.13 0.27 8.40 0.02 -1.26 -1.48 135.00 144.21 3htt s PRO 185 Ca 0.07 1.56 0.13 0.00 0.02 0.00 0.00 61.00 62.79 3htt s PRO 185 Cb -0.19 -1.85 0.24 0.00 0.02 0.00 0.00 34.50 32.72 3htt s PRO 185 CO -0.12 -1.80 1.53 -1.00 -0.33 0.00 0.00 177.00 175.28 3htt h PRO 186 N -0.58 0.00 -5.15 5.54 0.13 -1.79 -3.29 132.00 126.86 3htt h PRO 186 Ca -0.46 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.28 3htt h PRO 186 Cb 1.27 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.18 3htt h PRO 186 CO 0.50 0.61 -0.77 0.95 -0.23 0.00 0.00 178.00 179.06 3htt s THR 187 N -3.23 0.97 -2.00 1.56 -4.23 -1.26 -2.61 115.64 104.85 3htt s THR 187 Ca 0.01 -1.14 0.17 0.00 -1.18 0.00 0.00 61.69 59.55 3htt s THR 187 Cb 0.10 -0.94 0.49 0.00 1.34 0.00 0.00 72.50 73.49 3htt s THR 187 CO 0.75 -0.18 1.44 0.35 -0.54 0.00 0.00 174.62 176.44 3htt n THR 188 N 1.54 0.00 0.07 3.99 -2.24 -1.26 -1.64 114.28 114.74 3htt n THR 188 Ca -0.20 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.41 3htt n THR 188 Cb 0.54 -0.66 -0.14 0.00 -2.10 0.00 0.00 70.33 67.98 3htt n THR 188 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 3htt h SER 189 N 0.00 0.40 0.66 3.42 0.87 -1.98 -3.32 113.55 113.59 3htt h SER 189 Ca 0.00 -0.52 -0.26 0.00 -1.23 0.00 0.00 61.79 59.78 3htt h SER 189 Cb 0.00 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 61.83 3htt h SER 189 CO 0.00 1.43 -1.19 -0.08 -0.53 0.00 0.00 176.83 176.46 3htt h GLU 190 N 0.07 0.24 -0.85 2.24 4.81 -1.73 -2.92 114.58 116.44 3htt h GLU 190 Ca -0.22 -0.40 0.24 0.00 -0.13 0.00 0.00 59.36 58.85 3htt h GLU 190 Cb 2.01 0.15 -0.04 0.00 0.63 0.00 0.00 28.75 31.50 3htt h GLU 190 CO 0.17 1.18 0.60 0.37 -0.73 0.00 0.00 179.01 180.61 3htt h GLN 191 N 0.07 0.04 0.05 1.92 5.75 -1.58 -1.29 115.11 120.08 3htt h GLN 191 Ca -0.11 -0.00 -0.35 0.00 -0.15 0.00 0.00 58.65 58.04 3htt h GLN 191 Cb 1.92 -0.01 -0.04 0.00 1.07 0.00 0.00 27.48 30.42 3htt h GLN 191 CO 0.19 0.03 -2.04 0.00 -2.65 0.00 0.00 178.83 174.36 3htt n GLN 192 N -4.31 0.70 0.00 1.69 -0.00 -1.21 -2.08 117.38 112.16 3htt n GLN 192 Ca 0.17 0.22 0.09 0.00 -0.00 0.00 0.00 57.00 57.49 3htt n GLN 192 Cb 0.89 -1.68 0.45 0.00 -0.00 0.00 0.00 30.24 29.89 3htt n GLN 192 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.06 174.69 3htt n THR 193 N -3.22 0.54 -0.04 -0.39 5.66 -0.72 -0.83 114.28 115.28 3htt n THR 193 Ca -0.30 0.14 -0.06 0.00 -3.05 0.00 0.00 64.05 60.78 3htt n THR 193 Cb 1.05 -0.82 -0.03 0.00 -1.55 0.00 0.00 70.33 68.98 3htt n THR 193 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 3htt n LEU 194 N -1.37 2.38 0.00 1.09 4.77 -0.57 -4.82 117.00 118.48 3htt n LEU 194 Ca 0.07 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 3htt n LEU 194 Cb 0.18 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 3htt n LEU 194 CO 0.16 0.50 0.39 -1.22 -1.33 0.00 0.00 177.39 175.89 3htt n TYR 195 N -2.87 0.00 0.00 -1.77 4.02 -0.89 -1.11 117.16 114.55 3htt n TYR 195 Ca -0.13 -0.30 0.00 0.00 -0.01 0.00 0.00 57.90 57.46 3htt n TYR 195 Cb 0.63 -0.03 0.00 0.00 -0.02 0.00 0.00 39.34 39.92 3htt n TYR 195 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 176.86 176.79 3htt n GLN 196 N -0.30 0.00 -1.49 -0.72 -0.06 -0.01 -4.61 117.38 110.19 3htt n GLN 196 Ca 0.00 0.00 -0.47 0.00 -2.00 0.00 0.00 57.00 54.53 3htt n GLN 196 Cb 0.19 0.00 -0.06 0.00 -4.06 0.00 0.00 30.24 26.30 3htt n GLN 196 CO 0.00 0.00 0.00 0.09 -0.20 0.00 0.00 177.06 176.95 3htt n ASN 197 N 1.16 2.34 -2.62 1.69 4.13 -1.26 -4.32 115.26 116.38 3htt n ASN 197 Ca 0.00 0.27 -0.27 0.00 1.68 0.00 0.00 54.58 56.25 3htt n ASN 197 Cb 0.00 -1.35 -0.06 0.00 -1.54 0.00 0.00 39.78 36.83 3htt n ASN 197 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 3htt n THR 198 N 7.42 3.65 -1.28 3.41 -2.24 -1.26 -2.65 114.28 121.33 3htt n THR 198 Ca 0.39 -2.99 -0.00 0.00 -2.27 0.00 0.00 64.05 59.19 3htt n THR 198 Cb 0.30 -1.78 -0.00 0.00 -2.10 0.00 0.00 70.33 66.75 3htt n THR 198 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3htt n ASP 199 N 1.37 -0.03 -4.44 3.42 5.75 -1.26 -5.11 116.55 116.25 3htt n ASP 199 Ca 0.51 -0.27 -0.31 0.00 -0.01 0.00 0.00 54.79 54.72 3htt n ASP 199 Cb 0.54 0.01 0.20 0.00 -1.03 0.00 0.00 41.12 40.84 3htt n ASP 199 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3htt n ALA 200 N 0.00 -2.84 -3.14 2.12 0.00 -1.08 -5.01 120.51 110.56 3htt n ALA 200 Ca -0.01 -1.01 -0.12 0.00 0.00 0.00 0.00 53.44 52.31 3htt n ALA 200 Cb 0.15 -1.87 -0.05 0.00 0.00 0.00 0.00 19.45 17.68 3htt n ALA 200 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 3htt s TYR 201 N -2.40 -0.30 -0.07 0.00 -0.85 -1.26 -4.18 117.35 108.29 3htt s TYR 201 Ca 0.63 0.11 -0.01 0.00 -0.52 0.00 0.00 57.07 57.29 3htt s TYR 201 Cb -0.21 0.31 0.03 0.00 0.38 0.00 0.00 41.96 42.47 3htt s TYR 201 CO 0.65 -0.69 -0.02 0.08 -1.52 0.00 0.00 175.55 174.05 3htt s VAL 202 N -3.31 0.51 0.02 -3.49 1.01 0.37 -1.56 120.40 113.95 3htt s VAL 202 Ca -0.00 0.01 0.09 0.00 0.00 0.00 0.00 61.98 62.07 3htt s VAL 202 Cb 0.01 -0.61 -0.03 0.00 0.00 0.00 0.00 36.38 35.74 3htt s VAL 202 CO -0.09 0.27 -0.25 -0.94 0.00 0.00 0.00 175.10 174.09 3htt s SER 203 N 1.70 3.21 -0.16 3.32 1.04 -0.56 0.97 113.70 123.23 3htt s SER 203 Ca 0.01 -0.53 0.00 0.00 0.48 0.00 0.00 55.95 55.92 3htt s SER 203 Cb -0.13 -0.35 0.03 0.00 0.10 0.00 0.00 66.02 65.68 3htt s SER 203 CO -0.05 0.28 -0.12 -0.69 0.98 0.00 0.00 173.24 173.65 3htt s VAL 204 N -0.75 1.50 0.04 5.02 1.01 -1.23 -2.67 120.40 123.32 3htt s VAL 204 Ca 0.11 -0.70 0.06 0.00 0.00 0.00 0.00 61.98 61.46 3htt s VAL 204 Cb -0.10 -1.48 -0.03 0.00 0.00 0.00 0.00 36.38 34.77 3htt s VAL 204 CO 0.01 0.35 -0.13 -0.83 0.00 0.00 0.00 175.10 174.49 3htt s GLY 205 N 1.50 1.66 0.25 4.51 0.00 0.87 -3.40 107.32 112.71 3htt s GLY 205 Ca 0.03 -1.16 -0.21 0.00 0.00 0.00 0.00 44.72 43.39 3htt s GLY 205 CO -0.10 -1.05 0.67 -0.45 0.00 0.00 0.00 173.10 172.17 3htt s SER 206 N -1.58 -0.31 0.17 1.64 0.15 -0.95 0.79 113.70 113.61 3htt s SER 206 Ca 0.17 -0.50 0.19 0.00 0.70 0.00 0.00 55.95 56.51 3htt s SER 206 Cb -0.11 0.69 0.83 0.00 -1.71 0.00 0.00 66.02 65.72 3htt s SER 206 CO 0.07 -1.24 1.59 -1.54 1.20 0.00 0.00 173.24 173.32 3htt n SER 207 N -0.43 0.42 -2.64 5.45 3.41 -1.26 -2.74 113.62 115.83 3htt n SER 207 Ca -0.07 0.62 -0.10 0.00 -0.26 0.00 0.00 58.87 59.06 3htt n SER 207 Cb 0.61 -0.70 0.03 0.00 -0.26 0.00 0.00 64.21 63.89 3htt n SER 207 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 3htt n LYS 208 N -1.98 1.74 -3.62 4.33 0.00 -1.26 -5.08 118.16 112.30 3htt n LYS 208 Ca 0.02 -3.54 -0.06 0.00 0.00 0.00 0.00 58.31 54.73 3htt n LYS 208 Cb 0.18 -1.53 -0.05 0.00 0.00 0.00 0.00 35.03 33.63 3htt n LYS 208 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.40 176.93 3htt s TYR 209 N -3.37 -0.23 0.00 5.64 5.04 -1.11 -5.07 117.35 118.25 3htt s TYR 209 Ca 0.31 0.45 0.00 0.00 -2.44 0.00 0.00 57.07 55.39 3htt s TYR 209 Cb 0.41 0.46 0.00 0.00 0.35 0.00 0.00 41.96 43.18 3htt s TYR 209 CO -0.01 -0.18 0.00 -1.71 -1.34 0.00 0.00 175.55 172.31 3htt n ASN 210 N 0.97 0.00 -4.62 4.32 5.15 -1.22 -2.25 115.26 117.61 3htt n ASN 210 Ca -0.07 -0.73 -0.56 0.00 -0.60 0.00 0.00 54.58 52.61 3htt n ASN 210 Cb 0.58 0.00 -0.07 0.00 -0.53 0.00 0.00 39.78 39.75 3htt n ASN 210 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 3htt n ARG 211 N 0.00 1.08 -3.87 1.20 0.63 -1.26 -4.66 116.66 109.77 3htt n ARG 211 Ca 0.00 0.37 -0.36 0.00 -0.92 0.00 0.00 57.85 56.94 3htt n ARG 211 Cb 0.18 -2.15 -0.06 0.00 0.45 0.00 0.00 32.46 30.89 3htt n ARG 211 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 3htt s ARG 212 N 4.34 3.45 0.23 -0.14 3.52 -1.26 -3.50 118.95 125.59 3htt s ARG 212 Ca 1.02 -0.16 0.11 0.00 -0.13 0.00 0.00 55.73 56.58 3htt s ARG 212 Cb -1.05 -3.17 -0.05 0.00 -1.56 0.00 0.00 34.95 29.13 3htt s ARG 212 CO 0.62 0.75 -0.21 -0.06 -0.81 0.00 0.00 175.30 175.59 3htt s PHE 213 N -1.11 2.33 0.03 5.12 0.40 0.27 -4.97 117.98 120.06 3htt s PHE 213 Ca 0.18 -0.33 0.01 0.00 -0.60 0.00 0.00 56.93 56.18 3htt s PHE 213 Cb -0.12 -1.09 -0.02 0.00 0.51 0.00 0.00 43.02 42.30 3htt s PHE 213 CO 0.08 0.60 -0.05 0.95 0.70 0.00 0.00 175.22 177.50 3htt s THR 214 N -2.06 0.28 0.16 0.64 -4.23 -1.26 -0.48 115.64 108.70 3htt s THR 214 Ca 0.25 -1.10 -0.31 0.00 -1.18 0.00 0.00 61.69 59.35 3htt s THR 214 Cb -0.07 -0.56 -0.09 0.00 1.34 0.00 0.00 72.50 73.12 3htt s THR 214 CO 0.13 -0.53 1.43 -2.16 -0.54 0.00 0.00 174.62 172.94 3htt s PRO 215 N -1.87 4.30 -1.05 3.99 0.04 -1.26 -4.94 135.00 134.21 3htt s PRO 215 Ca -0.10 2.18 -0.04 0.00 0.04 0.00 0.00 61.00 63.07 3htt s PRO 215 Cb -0.07 -3.19 0.29 0.00 0.04 0.00 0.00 34.50 31.57 3htt s PRO 215 CO -0.02 -0.45 1.31 0.39 0.04 0.00 0.00 177.00 178.28 3htt n GLU 216 N 3.47 4.04 -1.79 4.56 1.02 -1.26 -5.04 120.64 125.64 3htt n GLU 216 Ca 0.10 -4.54 -0.41 0.00 -0.02 0.00 0.00 57.16 52.30 3htt n GLU 216 Cb 0.41 -2.50 0.00 0.00 -0.02 0.00 0.00 31.44 29.33 3htt n GLU 216 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3htt s ILE 217 N -2.34 2.03 -0.30 -3.67 -1.09 -1.26 -4.80 121.20 109.77 3htt s ILE 217 Ca 0.31 0.03 -0.21 0.00 -2.23 0.00 0.00 60.65 58.55 3htt s ILE 217 Cb 0.01 -3.02 0.19 0.00 -1.58 0.00 0.00 42.46 38.07 3htt s ILE 217 CO 0.04 0.01 1.33 0.00 -1.23 0.00 0.00 174.94 175.08 3htt s ALA 218 N -1.13 -2.40 -0.18 9.38 0.00 -1.07 -4.99 121.76 121.36 3htt s ALA 218 Ca 0.54 1.84 -0.29 0.00 0.00 0.00 0.00 51.96 54.05 3htt s ALA 218 Cb -0.46 -1.85 -0.03 0.00 0.00 0.00 0.00 23.12 20.77 3htt s ALA 218 CO 0.62 -0.21 1.65 0.00 0.00 0.00 0.00 175.76 177.82 3htt s ALA 219 N 0.52 3.34 0.06 0.00 0.00 -1.17 -4.50 121.76 120.01 3htt s ALA 219 Ca -0.00 0.60 0.00 0.00 0.00 0.00 0.00 51.96 52.56 3htt s ALA 219 Cb -0.04 -3.83 -0.04 0.00 0.00 0.00 0.00 23.12 19.21 3htt s ALA 219 CO -0.13 -1.84 -0.05 -0.98 0.00 0.00 0.00 175.76 172.76 3htt s ARG 220 N 4.58 0.64 0.73 0.00 1.70 -1.26 -5.15 118.95 120.19 3htt s ARG 220 Ca 0.73 -1.15 -0.16 0.00 -0.47 0.00 0.00 55.73 54.68 3htt s ARG 220 Cb -0.27 0.01 0.04 0.00 -0.57 0.00 0.00 34.95 34.16 3htt s ARG 220 CO 0.29 -0.06 1.25 -1.25 -1.08 0.00 0.00 175.30 174.45 3htt s PRO 221 N -3.41 2.09 0.07 3.89 0.04 -1.26 -4.83 135.00 131.59 3htt s PRO 221 Ca 0.05 1.90 -0.28 0.00 0.04 0.00 0.00 61.00 62.71 3htt s PRO 221 Cb 0.03 -1.81 -0.05 0.00 0.04 0.00 0.00 34.50 32.71 3htt s PRO 221 CO -0.06 -1.91 0.87 0.15 0.04 0.00 0.00 177.00 176.09 3htt s LYS 222 N -3.77 4.60 -0.08 4.56 1.02 -1.26 -4.61 119.74 120.19 3htt s LYS 222 Ca 0.78 1.27 0.03 0.00 0.02 0.00 0.00 55.97 58.07 3htt s LYS 222 Cb -0.33 -3.38 -0.02 0.00 -0.52 0.00 0.00 37.83 33.58 3htt s LYS 222 CO 0.45 0.22 -0.16 0.08 -0.92 0.00 0.00 175.35 175.01 3htt s VAL 223 N 0.08 2.82 -0.64 3.17 1.01 0.59 -4.67 120.40 122.74 3htt s VAL 223 Ca 0.44 -0.78 -0.01 0.00 0.00 0.00 0.00 61.98 61.62 3htt s VAL 223 Cb -0.22 -2.12 0.00 0.00 0.00 0.00 0.00 36.38 34.05 3htt s VAL 223 CO 0.26 0.56 0.03 -2.11 0.00 0.00 0.00 175.10 173.84 3htt n ARG 224 N 2.91 -0.95 0.00 2.72 1.85 -1.26 -2.37 116.66 119.56 3htt n ARG 224 Ca -0.18 0.01 0.00 0.00 -1.00 0.00 0.00 57.85 56.68 3htt n ARG 224 Cb 0.52 -1.42 0.00 0.00 -1.05 0.00 0.00 32.46 30.51 3htt n ARG 224 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3htt n GLY 225 N -1.65 1.73 3.76 2.89 0.00 -1.26 -4.58 105.19 106.07 3htt n GLY 225 Ca -0.13 -0.70 -0.38 0.00 0.00 0.00 0.00 46.02 44.80 3htt n GLY 225 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3htt s GLN 226 N 0.00 3.59 0.00 1.61 -1.52 -1.00 -4.75 119.66 117.59 3htt s GLN 226 Ca 0.00 2.05 0.22 0.00 -1.95 0.00 0.00 55.36 55.68 3htt s GLN 226 Cb 0.00 -2.45 -0.03 0.00 -0.22 0.00 0.00 33.01 30.31 3htt s GLN 226 CO 0.00 -0.77 1.04 0.00 -0.25 0.00 0.00 175.29 175.32 3htt n ALA 227 N -0.51 4.37 -1.91 6.09 0.00 -1.26 -0.30 120.51 126.98 3htt n ALA 227 Ca 0.07 -0.54 -0.29 0.00 0.00 0.00 0.00 53.44 52.68 3htt n ALA 227 Cb 0.46 -0.86 0.08 0.00 0.00 0.00 0.00 19.45 19.13 3htt n ALA 227 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3htt s GLY 228 N -2.95 1.61 0.07 0.00 0.00 -1.26 -4.48 107.32 100.31 3htt s GLY 228 Ca 0.10 -0.64 0.01 0.00 0.00 0.00 0.00 44.72 44.19 3htt s GLY 228 CO 0.80 -0.19 -0.05 0.50 0.00 0.00 0.00 173.10 174.16 3htt s ARG 229 N -5.47 0.66 -0.13 2.90 3.00 -0.55 -4.70 118.95 114.66 3htt s ARG 229 Ca 0.61 -1.13 -0.03 0.00 0.00 0.00 0.00 55.73 55.18 3htt s ARG 229 Cb -0.11 -0.06 0.05 0.00 0.00 0.00 0.00 34.95 34.83 3htt s ARG 229 CO 0.49 -0.04 0.04 -1.64 0.00 0.00 0.00 175.30 174.14 3htt s MET 230 N -3.24 0.47 -0.08 3.54 -1.94 0.46 0.50 119.30 119.01 3htt s MET 230 Ca 0.04 -0.10 -0.22 0.00 -1.71 0.00 0.00 55.69 53.69 3htt s MET 230 Cb 0.02 -1.52 -0.04 0.00 2.01 0.00 0.00 34.83 35.31 3htt s MET 230 CO -0.05 -0.50 0.66 -0.80 -0.01 0.00 0.00 175.02 174.32 3htt s ASN 231 N 1.98 6.92 -0.17 3.03 0.01 -0.82 -3.40 114.94 122.48 3htt s ASN 231 Ca 0.02 1.11 -0.09 0.00 -0.71 0.00 0.00 52.86 53.19 3htt s ASN 231 Cb -0.15 -2.39 -0.05 0.00 0.41 0.00 0.00 41.25 39.08 3htt s ASN 231 CO -0.07 -0.11 0.12 -0.31 -1.51 0.00 0.00 177.10 175.22 3htt s TYR 232 N 0.85 3.42 0.36 2.20 1.51 -0.46 -1.56 117.35 123.67 3htt s TYR 232 Ca 0.35 0.33 0.08 0.00 -1.01 0.00 0.00 57.07 56.83 3htt s TYR 232 Cb -0.17 -2.08 -0.07 0.00 -0.11 0.00 0.00 41.96 39.53 3htt s TYR 232 CO 0.16 0.38 -0.06 0.71 -1.11 0.00 0.00 175.55 175.64 3htt s TYR 233 N -0.01 2.41 0.22 2.71 1.51 0.23 -1.27 117.35 123.14 3htt s TYR 233 Ca 0.09 -0.57 -0.18 0.00 -1.01 0.00 0.00 57.07 55.40 3htt s TYR 233 Cb -0.11 -1.49 0.03 0.00 -0.11 0.00 0.00 41.96 40.27 3htt s TYR 233 CO -0.00 0.52 0.57 1.67 -1.11 0.00 0.00 175.55 177.20 3htt s TRP 234 N -2.67 -0.11 -0.10 2.71 1.48 -1.26 -1.42 118.94 117.57 3htt s TRP 234 Ca 0.33 -0.26 -0.30 0.00 -1.06 0.00 0.00 56.10 54.82 3htt s TRP 234 Cb 0.05 0.45 0.11 0.00 -1.16 0.00 0.00 33.47 32.92 3htt s TRP 234 CO 0.17 -0.99 0.89 -0.08 -4.06 0.00 0.00 176.95 172.87 3htt s THR 235 N -3.89 0.00 -0.34 0.66 -1.32 -1.03 -5.00 115.64 104.72 3htt s THR 235 Ca 0.11 0.00 -0.12 0.00 -1.21 0.00 0.00 61.69 60.47 3htt s THR 235 Cb -0.02 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 69.96 3htt s THR 235 CO 0.00 0.00 0.21 -0.76 -2.21 0.00 0.00 174.62 171.86 3htt s LEU 236 N -1.35 4.43 -0.33 9.08 1.43 -1.26 -1.45 118.68 129.23 3htt s LEU 236 Ca -0.03 -0.54 -0.22 0.00 -1.03 0.00 0.00 54.13 52.30 3htt s LEU 236 Cb -0.00 -2.08 0.00 0.00 0.03 0.00 0.00 46.19 44.14 3htt s LEU 236 CO 0.02 -0.25 0.74 -0.22 0.23 0.00 0.00 176.35 176.87 3htt s LEU 237 N 1.67 4.13 0.58 1.79 2.96 0.26 -4.89 118.68 125.17 3htt s LEU 237 Ca 0.05 0.48 -0.18 0.00 -0.22 0.00 0.00 54.13 54.26 3htt s LEU 237 Cb -0.18 -2.98 -0.04 0.00 0.50 0.00 0.00 46.19 43.50 3htt s LEU 237 CO 0.09 -0.61 1.14 -1.81 -1.32 0.00 0.00 176.35 173.83 3htt s ASP 238 N 1.70 5.48 0.27 3.68 1.01 -1.26 -2.06 116.67 125.49 3htt s ASP 238 Ca 0.30 2.18 -0.28 0.00 0.71 0.00 0.00 52.55 55.45 3htt s ASP 238 Cb -0.14 -2.58 -0.14 0.00 1.01 0.00 0.00 42.92 41.07 3htt s ASP 238 CO 0.14 -1.39 0.96 0.00 0.21 0.00 0.00 175.17 175.09 3htt n GLN 239 N -1.61 1.20 0.00 8.23 6.02 -1.26 -0.93 117.38 129.03 3htt n GLN 239 Ca 0.12 0.42 0.00 0.00 -0.01 0.00 0.00 57.00 57.53 3htt n GLN 239 Cb 0.51 -1.76 0.00 0.00 1.02 0.00 0.00 30.24 30.01 3htt n GLN 239 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3htt n GLY 240 N 1.34 2.25 3.89 1.08 0.00 0.69 -4.97 105.19 109.47 3htt n GLY 240 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 3htt n GLY 240 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3htt s ASP 241 N -2.91 6.30 -0.09 1.61 3.68 -0.11 -4.72 116.67 120.44 3htt s ASP 241 Ca 0.00 1.14 0.05 0.00 2.13 0.00 0.00 52.55 55.86 3htt s ASP 241 Cb 0.00 -2.34 -0.00 0.00 -1.45 0.00 0.00 42.92 39.13 3htt s ASP 241 CO 0.00 -0.65 -0.24 -0.89 0.13 0.00 0.00 175.17 173.52 3htt s THR 242 N -2.82 2.05 -0.17 1.71 2.01 -1.26 -1.13 115.64 116.01 3htt s THR 242 Ca 0.51 -1.03 -0.05 0.00 0.31 0.00 0.00 61.69 61.43 3htt s THR 242 Cb -0.10 -1.76 -0.03 0.00 0.01 0.00 0.00 72.50 70.62 3htt s THR 242 CO 0.45 0.56 -0.00 -0.51 -0.69 0.00 0.00 174.62 174.43 3htt s ILE 243 N 0.19 4.14 -0.14 1.82 2.07 -0.03 -4.13 121.20 125.12 3htt s ILE 243 Ca -0.14 -0.26 0.00 0.00 -1.41 0.00 0.00 60.65 58.84 3htt s ILE 243 Cb -0.17 -2.84 -0.01 0.00 0.13 0.00 0.00 42.46 39.57 3htt s ILE 243 CO 0.07 0.47 -0.15 -0.89 -1.91 0.00 0.00 174.94 172.53 3htt s THR 244 N 0.54 2.77 -0.07 4.00 2.01 0.24 -0.88 115.64 124.25 3htt s THR 244 Ca -0.01 -0.75 0.02 0.00 0.31 0.00 0.00 61.69 61.26 3htt s THR 244 Cb -0.14 -2.16 -0.03 0.00 0.01 0.00 0.00 72.50 70.19 3htt s THR 244 CO 0.02 0.52 -0.11 -0.36 -0.69 0.00 0.00 174.62 174.00 3htt s PHE 245 N 0.55 2.81 -0.13 4.92 0.40 0.15 -0.09 117.98 126.59 3htt s PHE 245 Ca -0.10 -0.17 -0.12 0.00 -0.60 0.00 0.00 56.93 55.94 3htt s PHE 245 Cb -0.16 -1.70 0.03 0.00 0.51 0.00 0.00 43.02 41.70 3htt s PHE 245 CO 0.04 0.17 0.35 -1.83 0.70 0.00 0.00 175.22 174.65 3htt s GLU 246 N -0.55 0.41 -0.06 0.44 -1.05 -1.09 -0.06 118.70 116.73 3htt s GLU 246 Ca 0.08 0.48 -0.30 0.00 -0.15 0.00 0.00 54.97 55.08 3htt s GLU 246 Cb -0.12 0.20 0.09 0.00 -0.44 0.00 0.00 34.13 33.86 3htt s GLU 246 CO 0.02 -0.05 0.77 0.00 0.95 0.00 0.00 175.26 176.94 3htt s ALA 247 N 0.18 -1.80 -0.35 -0.84 0.00 -0.61 -1.49 121.76 116.84 3htt s ALA 247 Ca -0.00 1.33 0.15 0.00 0.00 0.00 0.00 51.96 53.44 3htt s ALA 247 Cb -0.02 -0.12 0.47 0.00 0.00 0.00 0.00 23.12 23.45 3htt s ALA 247 CO 0.00 -0.39 1.38 0.25 0.00 0.00 0.00 175.76 177.00 3htt n THR 248 N 0.74 1.97 0.00 0.00 -2.24 -0.60 -1.40 114.28 112.74 3htt n THR 248 Ca -0.16 -1.67 0.00 0.00 -2.27 0.00 0.00 64.05 59.95 3htt n THR 248 Cb 0.58 -0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 3htt n THR 248 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3htt n GLY 249 N -0.28 3.47 3.10 3.38 0.00 -1.26 -4.57 105.19 109.03 3htt n GLY 249 Ca 0.19 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.83 3htt n GLY 249 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3htt n ASN 250 N 0.00 -2.08 -4.70 1.61 3.02 -1.26 -4.35 115.26 107.50 3htt n ASN 250 Ca 0.00 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.14 3htt n ASN 250 Cb 0.00 -1.71 -0.04 0.00 -0.61 0.00 0.00 39.78 37.42 3htt n ASN 250 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3htt s LEU 251 N 0.00 4.27 -0.83 3.41 2.96 -1.26 -0.24 118.68 126.99 3htt s LEU 251 Ca 0.00 1.27 -0.05 0.00 -0.22 0.00 0.00 54.13 55.13 3htt s LEU 251 Cb 0.00 -3.23 0.21 0.00 0.50 0.00 0.00 46.19 43.67 3htt s LEU 251 CO 0.00 -0.25 0.72 -0.63 -1.32 0.00 0.00 176.35 174.87 3htt s ILE 252 N 1.36 4.63 0.59 6.68 -1.09 0.06 -3.85 121.20 129.58 3htt s ILE 252 Ca 0.40 -3.27 -0.19 0.00 -2.23 0.00 0.00 60.65 55.36 3htt s ILE 252 Cb -0.18 -3.89 -0.04 0.00 -1.58 0.00 0.00 42.46 36.77 3htt s ILE 252 CO 0.18 -1.03 1.15 0.00 -1.23 0.00 0.00 174.94 174.01 3htt n ALA 253 N 3.04 0.78 -1.86 9.38 0.00 -0.85 -1.50 120.51 129.50 3htt n ALA 253 Ca 0.16 0.04 -0.41 0.00 0.00 0.00 0.00 53.44 53.24 3htt n ALA 253 Cb 0.39 -2.23 -0.03 0.00 0.00 0.00 0.00 19.45 17.59 3htt n ALA 253 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3htt s PRO 254 N -2.92 4.47 -0.04 0.00 0.02 -1.26 -0.43 135.00 134.84 3htt s PRO 254 Ca 0.76 2.00 -0.08 0.00 0.02 0.00 0.00 61.00 63.71 3htt s PRO 254 Cb -0.41 -3.16 -0.03 0.00 0.02 0.00 0.00 34.50 30.91 3htt s PRO 254 CO 0.46 -0.06 -0.15 1.87 -0.33 0.00 0.00 177.00 178.78 3htt n TRP 255 N 1.59 0.00 -4.92 6.54 -0.00 0.10 -4.29 117.44 116.47 3htt n TRP 255 Ca 0.02 0.00 -0.33 0.00 -0.00 0.00 0.00 57.50 57.19 3htt n TRP 255 Cb 0.43 -0.26 -0.14 0.00 -0.00 0.00 0.00 31.31 31.34 3htt n TRP 255 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 177.69 178.40 3htt s TYR 256 N -2.36 2.70 0.50 5.87 1.51 -0.36 -1.25 117.35 123.95 3htt s TYR 256 Ca -0.14 -0.45 0.02 0.00 -1.01 0.00 0.00 57.07 55.49 3htt s TYR 256 Cb 0.03 -1.71 -0.02 0.00 -0.11 0.00 0.00 41.96 40.15 3htt s TYR 256 CO 0.19 -0.04 0.01 0.00 -1.11 0.00 0.00 175.55 174.60 3htt s ALA 257 N -0.21 3.97 -0.04 3.71 0.00 0.03 -4.76 121.76 124.47 3htt s ALA 257 Ca -0.00 -0.55 0.05 0.00 0.00 0.00 0.00 51.96 51.46 3htt s ALA 257 Cb -0.13 0.09 -0.01 0.00 0.00 0.00 0.00 23.12 23.07 3htt s ALA 257 CO 0.03 -0.05 -0.19 -0.06 0.00 0.00 0.00 175.76 175.49 3htt s PHE 258 N -2.90 1.83 -0.42 0.00 0.40 -0.81 -1.18 117.98 114.91 3htt s PHE 258 Ca 0.09 -0.49 -0.10 0.00 -0.60 0.00 0.00 56.93 55.82 3htt s PHE 258 Cb 0.02 -1.22 0.07 0.00 0.51 0.00 0.00 43.02 42.41 3htt s PHE 258 CO 0.05 -0.14 0.27 0.00 0.70 0.00 0.00 175.22 176.09 3htt s ALA 259 N -0.10 3.32 0.48 5.36 0.00 0.19 0.30 121.76 131.31 3htt s ALA 259 Ca -0.01 -2.10 0.04 0.00 0.00 0.00 0.00 51.96 49.89 3htt s ALA 259 Cb -0.11 -2.70 -0.03 0.00 0.00 0.00 0.00 23.12 20.29 3htt s ALA 259 CO 0.02 -1.63 0.10 -0.48 0.00 0.00 0.00 175.76 173.77 3htt s LEU 260 N 1.47 2.64 -0.33 0.00 0.05 -0.58 -0.52 118.68 121.40 3htt s LEU 260 Ca 0.03 -1.42 -0.01 0.00 0.05 0.00 0.00 54.13 52.78 3htt s LEU 260 Cb -0.23 -0.98 0.12 0.00 -2.05 0.00 0.00 46.19 43.06 3htt s LEU 260 CO 0.03 -0.75 0.17 0.21 -0.55 0.00 0.00 176.35 175.46 3htt s ASN 261 N -3.92 3.32 0.10 1.48 3.04 0.59 -3.48 114.94 116.07 3htt s ASN 261 Ca 0.23 -1.85 -0.22 0.00 0.04 0.00 0.00 52.86 51.06 3htt s ASN 261 Cb 0.03 -0.47 -0.07 0.00 -1.54 0.00 0.00 41.25 39.20 3htt s ASN 261 CO 0.13 -0.36 0.66 -0.54 -3.04 0.00 0.00 177.10 173.95 3htt s LYS 262 N 1.43 4.37 0.06 0.43 1.02 -1.26 -0.28 119.74 125.50 3htt s LYS 262 Ca 0.14 0.92 0.00 0.00 0.02 0.00 0.00 55.97 57.05 3htt s LYS 262 Cb -0.20 -3.26 0.00 0.00 -0.52 0.00 0.00 37.83 33.85 3htt s LYS 262 CO -0.15 0.58 0.00 0.41 -0.92 0.00 0.00 175.35 175.27 3htt n GLY 263 N 1.76 0.02 3.28 -3.33 0.00 -1.26 -4.95 105.19 100.71 3htt n GLY 263 Ca -0.08 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.75 3htt n GLY 263 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3htt s SER 264 N -5.50 2.28 -0.03 1.61 0.15 -1.26 -5.15 113.70 105.80 3htt s SER 264 Ca 0.00 -0.83 -0.02 0.00 0.70 0.00 0.00 55.95 55.80 3htt s SER 264 Cb 0.00 -0.10 -0.04 0.00 -1.71 0.00 0.00 66.02 64.17 3htt s SER 264 CO 0.00 -0.10 0.11 1.51 1.20 0.00 0.00 173.24 175.97 3htt s ASP 265 N -2.52 5.95 0.00 5.45 3.84 -1.26 -4.55 116.67 123.57 3htt s ASP 265 Ca 0.11 0.25 0.00 0.00 -0.00 0.00 0.00 52.55 52.91 3htt s ASP 265 Cb -0.05 -1.79 0.00 0.00 -1.38 0.00 0.00 42.92 39.70 3htt s ASP 265 CO 0.04 0.29 0.00 -1.54 -0.00 0.00 0.00 175.17 173.97 3htt n SER 266 N 1.28 0.00 -0.51 2.11 3.41 -1.26 -4.95 113.62 113.70 3htt n SER 266 Ca -0.14 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.47 3htt n SER 266 Cb 0.53 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 3htt n SER 266 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3htt n GLY 267 N 3.94 2.49 3.04 5.00 0.00 -1.26 -4.84 105.19 113.56 3htt n GLY 267 Ca 0.00 -0.89 -0.31 0.00 0.00 0.00 0.00 46.02 44.82 3htt n GLY 267 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3htt s ILE 268 N -3.00 1.83 -0.04 -0.61 1.01 -1.26 -2.18 121.20 116.95 3htt s ILE 268 Ca 0.00 -1.04 -0.18 0.00 0.00 0.00 0.00 60.65 59.43 3htt s ILE 268 Cb 0.00 -1.81 -0.05 0.00 0.01 0.00 0.00 42.46 40.61 3htt s ILE 268 CO 0.00 0.28 0.51 -0.63 0.00 0.00 0.00 174.94 175.10 3htt s ILE 269 N 1.33 5.03 -0.28 2.92 -1.09 0.14 -4.95 121.20 124.30 3htt s ILE 269 Ca 0.00 1.05 0.01 0.00 -2.23 0.00 0.00 60.65 59.48 3htt s ILE 269 Cb -0.15 -3.84 0.06 0.00 -1.58 0.00 0.00 42.46 36.95 3htt s ILE 269 CO -0.09 0.43 -0.06 0.28 -1.23 0.00 0.00 174.94 174.26 3htt s THR 270 N -0.14 2.46 0.05 2.92 -1.32 -1.26 -0.76 115.64 117.59 3htt s THR 270 Ca 0.27 -1.59 -0.27 0.00 -1.21 0.00 0.00 61.69 58.89 3htt s THR 270 Cb -0.17 -2.46 0.08 0.00 -1.51 0.00 0.00 72.50 68.45 3htt s THR 270 CO 0.14 -0.09 0.73 -0.94 -2.21 0.00 0.00 174.62 172.25 3htt s SER 271 N 1.15 -0.51 -0.01 8.08 1.04 -0.36 -4.89 113.70 118.20 3htt s SER 271 Ca -0.07 0.16 0.21 0.00 0.48 0.00 0.00 55.95 56.74 3htt s SER 271 Cb -0.20 0.50 0.62 0.00 0.10 0.00 0.00 66.02 67.05 3htt s SER 271 CO -0.04 -0.75 1.52 0.47 0.98 0.00 0.00 173.24 175.42 3htt n ASP 272 N -0.02 3.95 -4.77 7.02 8.00 -1.26 -4.48 116.55 124.99 3htt n ASP 272 Ca -0.14 -2.05 -0.38 0.00 0.71 0.00 0.00 54.79 52.93 3htt n ASP 272 Cb 0.62 -0.48 -0.01 0.00 -0.02 0.00 0.00 41.12 41.24 3htt n ASP 272 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3htt s ALA 273 N -1.09 3.01 0.57 2.24 0.00 -1.26 -4.97 121.76 120.25 3htt s ALA 273 Ca 0.47 1.01 -0.20 0.00 0.00 0.00 0.00 51.96 53.23 3htt s ALA 273 Cb 0.25 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.92 3htt s ALA 273 CO 0.31 -0.73 1.29 -2.14 0.00 0.00 0.00 175.76 174.49 3htt s PRO 274 N -2.62 3.04 -0.49 0.00 0.02 -1.26 -4.58 135.00 129.12 3htt s PRO 274 Ca 0.63 2.06 -0.13 0.00 0.02 0.00 0.00 61.00 63.58 3htt s PRO 274 Cb -0.31 -2.11 0.11 0.00 0.02 0.00 0.00 34.50 32.21 3htt s PRO 274 CO 0.38 -1.21 0.41 0.08 -0.33 0.00 0.00 177.00 176.32 3htt s VAL 275 N -1.41 4.83 0.35 3.83 1.01 -1.26 -0.60 120.40 127.15 3htt s VAL 275 Ca 0.74 -1.47 0.08 0.00 0.00 0.00 0.00 61.98 61.33 3htt s VAL 275 Cb -0.36 -4.05 -0.03 0.00 0.00 0.00 0.00 36.38 31.94 3htt s VAL 275 CO 0.41 -0.73 0.28 -1.00 0.00 0.00 0.00 175.10 174.06 3htt s HIS 276 N 1.52 2.83 -0.97 5.22 3.76 -1.16 -4.95 115.29 121.54 3htt s HIS 276 Ca 0.04 -0.36 -0.21 0.00 -0.15 0.00 0.00 55.06 54.38 3htt s HIS 276 Cb -0.27 -1.85 0.09 0.00 1.11 0.00 0.00 32.58 31.66 3htt s HIS 276 CO 0.03 0.15 1.28 1.21 -0.85 0.00 0.00 174.74 176.55 3htt s ASN 277 N -4.00 6.56 0.09 1.40 2.47 -1.26 -4.49 114.94 115.71 3htt s ASN 277 Ca 0.42 -1.73 -0.00 0.00 0.42 0.00 0.00 52.86 51.96 3htt s ASN 277 Cb -0.05 -2.48 -0.04 0.00 -1.45 0.00 0.00 41.25 37.23 3htt s ASN 277 CO 0.26 -1.29 -0.01 0.00 -3.72 0.00 0.00 177.10 172.35 3htt s ASP 279 N -2.99 4.64 0.00 0.00 3.68 -1.26 0.00 116.67 120.74 3htt s ASP 279 Ca 0.14 -1.16 0.00 0.00 2.13 0.00 0.00 52.55 53.66 3htt s ASP 279 Cb 0.07 0.12 0.00 0.00 -1.45 0.00 0.00 42.92 41.67 3htt s ASP 279 CO -0.05 -0.94 0.00 1.07 0.13 0.00 0.00 175.17 175.39 3htt n THR 280 N -1.63 0.00 -0.11 1.71 5.66 -0.71 -4.69 114.28 114.51 3htt n THR 280 Ca -0.01 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.85 3htt n THR 280 Cb 0.64 0.00 -0.14 0.00 -1.55 0.00 0.00 70.33 69.28 3htt n THR 280 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 3htt n LYS 281 N -0.30 0.67 -4.32 1.09 5.02 -1.26 -0.66 118.16 118.40 3htt n LYS 281 Ca 0.00 0.06 -0.29 0.00 -2.02 0.00 0.00 58.31 56.06 3htt n LYS 281 Cb 0.00 -1.52 -0.17 0.00 -0.02 0.00 0.00 35.03 33.32 3htt n LYS 281 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3htt s GLN 283 N 1.14 1.46 0.27 0.00 2.00 -0.56 -2.22 119.66 121.76 3htt s GLN 283 Ca -0.03 -1.31 0.02 0.00 -2.00 0.00 0.00 55.36 52.04 3htt s GLN 283 Cb -0.14 -1.91 -0.04 0.00 0.80 0.00 0.00 33.01 31.72 3htt s GLN 283 CO -0.04 0.46 0.14 0.95 -0.50 0.00 0.00 175.29 176.30 3htt s THR 284 N -1.02 0.31 0.40 -0.34 -4.23 -0.77 -1.29 115.64 108.72 3htt s THR 284 Ca 0.14 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 58.83 3htt s THR 284 Cb -0.10 -2.55 0.20 0.00 1.34 0.00 0.00 72.50 71.39 3htt s THR 284 CO 0.05 0.00 1.97 -0.65 -0.54 0.00 0.00 174.62 175.45 3htt h PRO 285 N 2.34 0.00 0.00 3.99 0.11 -1.90 -2.75 132.00 133.79 3htt h PRO 285 Ca -0.35 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.72 3htt h PRO 285 Cb 1.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 3htt h PRO 285 CO 0.54 0.21 -0.95 0.45 -0.21 0.00 0.00 178.00 178.05 3htt h HIS 286 N 0.00 0.00 0.00 0.65 3.86 -1.93 -3.42 115.15 114.31 3htt h HIS 286 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3htt h HIS 286 Cb 0.43 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.90 3htt h HIS 286 CO 0.00 0.16 0.00 0.41 0.86 0.00 0.00 177.93 179.36 3htt n GLY 287 N 1.22 -1.33 3.77 2.45 0.00 -1.04 -3.53 105.19 106.72 3htt n GLY 287 Ca -0.02 -1.49 -0.39 0.00 0.00 0.00 0.00 46.02 44.13 3htt n GLY 287 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3htt s ALA 288 N -1.43 3.28 0.19 4.61 0.00 -0.92 -1.84 121.76 125.66 3htt s ALA 288 Ca 0.00 0.98 0.11 0.00 0.00 0.00 0.00 51.96 53.06 3htt s ALA 288 Cb 0.00 -3.38 -0.04 0.00 0.00 0.00 0.00 23.12 19.70 3htt s ALA 288 CO 0.00 -0.43 -0.21 0.42 0.00 0.00 0.00 175.76 175.54 3htt s ILE 289 N -1.31 2.50 0.31 0.00 -1.09 -0.94 -2.92 121.20 117.75 3htt s ILE 289 Ca 0.52 -1.99 -0.21 0.00 -2.23 0.00 0.00 60.65 56.74 3htt s ILE 289 Cb -0.32 -2.21 -0.09 0.00 -1.58 0.00 0.00 42.46 38.26 3htt s ILE 289 CO 0.41 -0.13 0.83 0.21 -1.23 0.00 0.00 174.94 175.04 3htt s ASN 290 N -2.73 7.05 -0.16 3.58 2.47 -1.26 -4.38 114.94 119.52 3htt s ASN 290 Ca 0.22 1.56 0.16 0.00 0.42 0.00 0.00 52.86 55.22 3htt s ASN 290 Cb -0.08 -2.48 0.60 0.00 -1.45 0.00 0.00 41.25 37.84 3htt s ASN 290 CO 0.11 -0.12 1.51 -1.20 -3.72 0.00 0.00 177.10 173.68 3htt n SER 291 N 0.18 4.33 0.07 -4.21 7.64 -1.26 -4.60 113.62 115.77 3htt n SER 291 Ca 0.02 -2.76 -0.22 0.00 1.01 0.00 0.00 58.87 56.91 3htt n SER 291 Cb 0.52 -0.54 -0.15 0.00 -1.01 0.00 0.00 64.21 63.03 3htt n SER 291 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 3htt h THR 292 N 2.72 1.26 -3.83 0.44 2.02 -1.96 -3.47 112.91 110.10 3htt h THR 292 Ca 0.00 -2.55 -0.48 0.00 0.77 0.00 0.00 66.41 64.14 3htt h THR 292 Cb 1.47 3.00 -0.01 0.00 -1.74 0.00 0.00 68.15 70.87 3htt h THR 292 CO 0.26 0.76 0.17 -0.76 0.37 0.00 0.00 175.52 176.32 3htt s LEU 293 N -7.65 3.89 0.33 2.58 1.43 -1.26 -4.98 118.68 113.02 3htt s LEU 293 Ca -0.14 1.31 0.26 0.00 -1.03 0.00 0.00 54.13 54.53 3htt s LEU 293 Cb 0.03 -4.17 1.10 0.00 0.03 0.00 0.00 46.19 43.18 3htt s LEU 293 CO 0.86 -0.36 1.78 1.55 0.23 0.00 0.00 176.35 180.41 3htt h PRO 294 N 1.63 0.00 -4.54 1.29 0.13 -1.91 -3.42 132.00 125.18 3htt h PRO 294 Ca -0.48 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.40 3htt h PRO 294 Cb 1.18 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.11 3htt h PRO 294 CO 0.64 0.00 -0.72 -0.06 -0.23 0.00 0.00 178.00 177.62 3htt s PHE 295 N -3.42 0.68 0.01 1.56 0.40 -1.17 -2.72 117.98 113.33 3htt s PHE 295 Ca 0.03 -0.59 0.01 0.00 -0.60 0.00 0.00 56.93 55.77 3htt s PHE 295 Cb 0.09 -0.41 -0.01 0.00 0.51 0.00 0.00 43.02 43.20 3htt s PHE 295 CO 0.41 -0.11 -0.03 -1.14 0.70 0.00 0.00 175.22 175.05 3htt s GLN 296 N -2.04 0.26 -0.02 0.44 -0.44 -0.88 -0.65 119.66 116.32 3htt s GLN 296 Ca -0.06 -0.40 0.03 0.00 -2.50 0.00 0.00 55.36 52.43 3htt s GLN 296 Cb -0.07 -0.04 0.05 0.00 -1.64 0.00 0.00 33.01 31.32 3htt s GLN 296 CO -0.01 -0.00 0.89 0.27 0.50 0.00 0.00 175.29 176.94 3htt n ASN 297 N 2.17 0.65 0.04 6.67 6.94 -1.13 -0.40 115.26 130.20 3htt n ASN 297 Ca -0.19 -1.93 -0.19 0.00 -0.02 0.00 0.00 54.58 52.25 3htt n ASN 297 Cb 0.57 -0.17 -0.09 0.00 -2.36 0.00 0.00 39.78 37.73 3htt n ASN 297 CO 0.00 0.00 0.00 0.58 -1.03 0.00 0.00 177.26 176.81 3htt h VAL 298 N 3.89 1.29 -1.37 3.53 2.07 -1.89 -3.47 116.25 120.29 3htt h VAL 298 Ca 0.00 -2.23 0.13 0.00 0.82 0.00 0.00 66.70 65.42 3htt h VAL 298 Cb 1.12 2.33 -0.26 0.00 -1.52 0.00 0.00 31.29 32.96 3htt h VAL 298 CO 0.00 0.69 0.31 -2.28 0.02 0.00 0.00 177.57 176.31 3htt s HIS 299 N -3.37 -0.63 0.53 1.57 2.46 -1.26 -4.97 115.29 109.61 3htt s HIS 299 Ca -0.09 1.20 0.22 0.00 0.47 0.00 0.00 55.06 56.85 3htt s HIS 299 Cb 0.07 0.38 1.38 0.00 -0.13 0.00 0.00 32.58 34.29 3htt s HIS 299 CO 0.91 -0.31 2.08 -1.35 -2.47 0.00 0.00 174.74 173.59 3htt h PRO 300 N 6.62 0.00 -4.68 2.88 0.11 -1.95 -3.39 132.00 131.59 3htt h PRO 300 Ca -0.24 0.00 -0.70 0.00 0.11 0.00 0.00 66.00 65.18 3htt h PRO 300 Cb 1.16 0.00 -0.20 0.00 0.11 0.00 0.00 31.00 32.08 3htt h PRO 300 CO 0.15 0.00 -0.38 0.42 -0.21 0.00 0.00 178.00 177.98 3htt s ILE 301 N -4.99 5.22 0.20 4.15 -1.09 -1.26 -4.95 121.20 118.49 3htt s ILE 301 Ca -0.05 -0.39 0.00 0.00 -2.23 0.00 0.00 60.65 57.98 3htt s ILE 301 Cb 0.18 -3.88 -0.04 0.00 -1.58 0.00 0.00 42.46 37.13 3htt s ILE 301 CO 0.68 -0.22 0.09 0.42 -1.23 0.00 0.00 174.94 174.67 3htt s THR 302 N 1.82 0.31 -0.04 2.92 -4.23 -1.26 -4.37 115.64 110.78 3htt s THR 302 Ca 0.07 -1.98 -0.01 0.00 -1.18 0.00 0.00 61.69 58.59 3htt s THR 302 Cb -0.18 -2.41 0.03 0.00 1.34 0.00 0.00 72.50 71.28 3htt s THR 302 CO 0.11 -0.15 0.02 -0.63 -0.54 0.00 0.00 174.62 173.43 3htt s ILE 303 N -3.93 0.15 -1.67 2.99 1.01 -0.41 -5.01 121.20 114.34 3htt s ILE 303 Ca 0.34 0.19 0.00 0.00 0.00 0.00 0.00 60.65 61.18 3htt s ILE 303 Cb 0.07 -0.31 0.00 0.00 0.01 0.00 0.00 42.46 42.23 3htt s ILE 303 CO 0.10 0.19 0.00 0.61 0.00 0.00 0.00 174.94 175.83 3htt n GLY 304 N 4.77 0.44 3.28 6.18 0.00 -1.26 -1.49 105.19 117.11 3htt n GLY 304 Ca -0.14 -1.92 -0.45 0.00 0.00 0.00 0.00 46.02 43.51 3htt n GLY 304 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3htt s GLU 305 N -0.67 2.92 0.27 1.61 2.02 -0.95 -4.96 118.70 118.95 3htt s GLU 305 Ca 0.00 -1.85 0.09 0.00 0.02 0.00 0.00 54.97 53.23 3htt s GLU 305 Cb 0.00 -4.20 -0.04 0.00 0.10 0.00 0.00 34.13 29.98 3htt s GLU 305 CO 0.00 -1.29 0.04 0.00 0.02 0.00 0.00 175.26 174.03 3htt s PRO 307 N -3.71 4.36 -0.34 0.00 0.02 -1.26 -4.94 135.00 129.13 3htt s PRO 307 Ca 0.32 1.43 -0.40 0.00 0.02 0.00 0.00 61.00 62.37 3htt s PRO 307 Cb -0.06 -3.58 -0.17 0.00 0.02 0.00 0.00 34.50 30.70 3htt s PRO 307 CO 0.21 -0.44 1.30 1.63 -0.33 0.00 0.00 177.00 179.37 3htt n LYS 308 N 5.47 0.00 -2.11 5.54 4.76 -1.10 -3.52 118.16 127.19 3htt n LYS 308 Ca 0.10 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.12 3htt n LYS 308 Cb 0.47 -1.31 -0.03 0.00 -1.84 0.00 0.00 35.03 32.33 3htt n LYS 308 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 3htt s TYR 309 N 2.05 3.01 0.09 2.13 5.04 -1.26 -2.07 117.35 126.35 3htt s TYR 309 Ca 0.89 0.78 0.05 0.00 -2.44 0.00 0.00 57.07 56.35 3htt s TYR 309 Cb -1.27 -3.76 -0.03 0.00 0.35 0.00 0.00 41.96 37.26 3htt s TYR 309 CO 0.67 -2.77 -0.13 0.14 -1.34 0.00 0.00 175.55 172.12 3htt s VAL 310 N 1.62 1.10 -1.26 3.14 -7.23 0.46 -4.93 120.40 113.30 3htt s VAL 310 Ca 0.67 -1.47 0.03 0.00 -1.81 0.00 0.00 61.98 59.39 3htt s VAL 310 Cb -0.37 -1.22 0.12 0.00 0.56 0.00 0.00 36.38 35.47 3htt s VAL 310 CO 0.30 -0.35 0.83 0.29 -0.31 0.00 0.00 175.10 175.86 3htt n LYS 311 N 0.95 1.50 -2.09 4.82 4.01 -1.26 -4.39 118.16 121.70 3htt n LYS 311 Ca -0.19 -0.47 -0.31 0.00 -0.51 0.00 0.00 58.31 56.83 3htt n LYS 311 Cb 0.56 -1.44 -0.01 0.00 -0.51 0.00 0.00 35.03 33.63 3htt n LYS 311 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 3htt s SER 312 N -0.42 6.38 -0.00 4.39 0.01 -1.26 -4.97 113.70 117.83 3htt s SER 312 Ca 0.08 1.47 0.01 0.00 1.31 0.00 0.00 55.95 58.82 3htt s SER 312 Cb 0.06 -2.48 -0.02 0.00 0.21 0.00 0.00 66.02 63.79 3htt s SER 312 CO 0.03 -0.76 0.03 0.35 0.41 0.00 0.00 173.24 173.30 3htt n THR 313 N -2.29 0.01 -3.62 1.44 -2.24 -1.26 -4.82 114.28 101.49 3htt n THR 313 Ca 0.06 -0.03 -0.12 0.00 -2.27 0.00 0.00 64.05 61.69 3htt n THR 313 Cb 0.54 0.38 -0.12 0.00 -2.10 0.00 0.00 70.33 69.03 3htt n THR 313 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3htt s LYS 314 N -2.09 0.21 -0.45 -0.78 2.20 -1.26 -5.05 119.74 112.52 3htt s LYS 314 Ca -0.00 0.74 0.08 0.00 -0.36 0.00 0.00 55.97 56.43 3htt s LYS 314 Cb 0.01 -0.10 0.26 0.00 -1.51 0.00 0.00 37.83 36.49 3htt s LYS 314 CO 0.05 -0.35 0.61 1.28 -0.36 0.00 0.00 175.35 176.59 3htt n LEU 315 N 5.36 1.21 -4.70 5.43 4.77 -1.26 -5.08 117.00 122.73 3htt n LEU 315 Ca -0.06 -4.93 -0.37 0.00 -0.03 0.00 0.00 56.01 50.61 3htt n LEU 315 Cb 0.50 0.31 -0.07 0.00 -2.33 0.00 0.00 43.42 41.83 3htt n LEU 315 CO 0.03 2.10 0.01 -0.60 -1.33 0.00 0.00 177.39 177.60 3htt s ARG 316 N -1.70 4.22 -0.14 3.23 3.52 -1.26 -1.88 118.95 124.93 3htt s ARG 316 Ca 0.37 0.11 -0.05 0.00 -0.13 0.00 0.00 55.73 56.03 3htt s ARG 316 Cb 0.19 -3.47 -0.04 0.00 -1.56 0.00 0.00 34.95 30.08 3htt s ARG 316 CO -0.09 0.14 0.03 1.41 -0.81 0.00 0.00 175.30 175.98 3htt s MET 317 N 0.76 3.60 0.45 5.12 -2.45 0.76 -4.63 119.30 122.92 3htt s MET 317 Ca 0.17 -0.38 -0.22 0.00 -1.25 0.00 0.00 55.69 54.00 3htt s MET 317 Cb -0.14 -3.03 -0.08 0.00 1.25 0.00 0.00 34.83 32.84 3htt s MET 317 CO 0.05 0.42 1.10 0.00 1.05 0.00 0.00 175.02 177.64 3htt s ALA 318 N -0.08 2.96 0.00 4.11 0.00 -1.26 -0.36 121.76 127.12 3htt s ALA 318 Ca 0.05 0.77 0.00 0.00 0.00 0.00 0.00 51.96 52.78 3htt s ALA 318 Cb -0.12 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.68 3htt s ALA 318 CO 0.02 -0.45 0.00 0.25 0.00 0.00 0.00 175.76 175.58 3htt n THR 319 N -0.55 0.00 -1.40 0.00 -2.24 -0.21 -4.82 114.28 105.06 3htt n THR 319 Ca 0.07 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 3htt n THR 319 Cb 0.50 -0.42 0.00 0.00 -2.10 0.00 0.00 70.33 68.30 3htt n THR 319 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3htt n GLY 320 N 2.39 0.24 3.93 3.38 0.00 0.12 -4.95 105.19 110.31 3htt n GLY 320 Ca 0.00 -1.84 -0.26 0.00 0.00 0.00 0.00 46.02 43.93 3htt n GLY 320 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3htt s LEU 321 N 0.00 2.69 0.33 0.99 2.34 -1.26 -4.74 118.68 119.04 3htt s LEU 321 Ca 0.00 -1.23 -0.27 0.00 0.06 0.00 0.00 54.13 52.69 3htt s LEU 321 Cb 0.00 -1.18 -0.13 0.00 -0.56 0.00 0.00 46.19 44.33 3htt s LEU 321 CO 0.00 -1.20 1.14 0.54 -1.06 0.00 0.00 176.35 175.77 3htt n ARG 322 N -1.88 1.72 -3.55 1.48 1.74 -1.26 -0.65 116.66 114.25 3htt n ARG 322 Ca 0.01 0.60 -0.41 0.00 -0.77 0.00 0.00 57.85 57.29 3htt n ARG 322 Cb 0.64 -2.10 -0.11 0.00 -1.02 0.00 0.00 32.46 29.87 3htt n ARG 322 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3htt s ASN 323 N -0.47 5.92 -0.44 0.55 2.47 -0.27 -4.60 114.94 118.10 3htt s ASN 323 Ca 0.58 -0.67 0.03 0.00 0.42 0.00 0.00 52.86 53.22 3htt s ASN 323 Cb -0.62 -2.10 0.15 0.00 -1.45 0.00 0.00 41.25 37.24 3htt s ASN 323 CO 0.61 -0.31 0.30 -0.63 -3.72 0.00 0.00 177.10 173.34 3htt s ILE 324 N 1.66 0.91 0.00 -5.21 1.01 -1.26 -4.84 121.20 113.47 3htt s ILE 324 Ca 0.05 -2.58 0.00 0.00 0.00 0.00 0.00 60.65 58.12 3htt s ILE 324 Cb -0.18 -1.63 0.00 0.00 0.01 0.00 0.00 42.46 40.66 3htt s ILE 324 CO 0.09 -1.05 0.00 -2.65 0.00 0.00 0.00 174.94 171.33 3htt n PRO 325 N 3.25 3.54 -0.25 2.79 -0.02 -1.26 -4.90 135.00 138.14 3htt n PRO 325 Ca 0.18 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 3htt n PRO 325 Cb 0.40 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.88 3htt n PRO 325 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3htt n SER 326 N 0.00 -1.70 -0.79 2.55 2.88 -1.26 -5.13 113.62 110.16 3htt n SER 326 Ca 0.00 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.64 3htt n SER 326 Cb 0.00 -0.14 0.08 0.00 -0.75 0.00 0.00 64.21 63.40 3htt n SER 326 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81