#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hox n SER 2 N 0.00 0.86 -3.64 3.17 3.41 -1.26 -3.43 113.62 112.74 3hox n SER 2 Ca 0.00 -2.09 -0.10 0.00 -0.26 0.00 0.00 58.87 56.43 3hox n SER 2 Cb 0.00 -0.60 -0.07 0.00 -0.26 0.00 0.00 64.21 63.28 3hox n SER 2 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3hox s ASN 3 N 4.87 -0.83 0.99 4.04 0.01 -1.26 -4.88 114.94 117.88 3hox s ASN 3 Ca 0.11 1.43 -0.16 0.00 -0.71 0.00 0.00 52.86 53.53 3hox s ASN 3 Cb 0.03 1.39 -0.00 0.00 0.41 0.00 0.00 41.25 43.07 3hox s ASN 3 CO 0.02 -0.23 -0.04 0.41 -1.51 0.00 0.00 177.10 175.74 3hox n THR 4 N 3.55 0.00 -0.72 1.60 -1.04 -1.26 -4.02 114.28 112.40 3hox n THR 4 Ca -0.17 -0.26 0.00 0.00 -2.04 0.00 0.00 64.05 61.58 3hox n THR 4 Cb 0.57 -0.45 0.00 0.00 -1.82 0.00 0.00 70.33 68.63 3hox n THR 4 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3hox n LEU 5 N -0.10 0.38 -3.65 -4.42 4.77 -1.26 -4.67 117.00 108.05 3hox n LEU 5 Ca 0.03 -0.38 -0.03 0.00 -0.03 0.00 0.00 56.01 55.61 3hox n LEU 5 Cb 0.57 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.60 3hox n LEU 5 CO 0.51 0.09 1.14 0.12 -1.33 0.00 0.00 177.39 177.92 3hox s PHE 6 N -0.09 -0.08 -0.06 -1.77 5.36 -1.26 -4.17 117.98 115.91 3hox s PHE 6 Ca 0.00 0.17 -0.19 0.00 -0.96 0.00 0.00 56.93 55.95 3hox s PHE 6 Cb 0.00 0.48 0.04 0.00 -0.34 0.00 0.00 43.02 43.20 3hox s PHE 6 CO 0.00 -0.04 0.44 0.34 -1.46 0.00 0.00 175.22 174.50 3hox s ASP 7 N -0.24 -0.38 0.00 6.13 -1.08 -1.26 -2.77 116.67 117.08 3hox s ASP 7 Ca 0.07 0.43 0.00 0.00 -0.52 0.00 0.00 52.55 52.53 3hox s ASP 7 Cb -0.04 0.50 0.00 0.00 -1.46 0.00 0.00 42.92 41.92 3hox s ASP 7 CO -0.13 -0.43 0.00 -0.67 0.52 0.00 0.00 175.17 174.46 3hox n ASP 8 N 1.49 0.00 -3.79 -0.34 4.64 -1.14 -5.02 116.55 112.39 3hox n ASP 8 Ca -0.19 0.00 -0.13 0.00 -1.38 0.00 0.00 54.79 53.09 3hox n ASP 8 Cb 0.56 0.00 -0.13 0.00 -1.04 0.00 0.00 41.12 40.51 3hox n ASP 8 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 3hox s ILE 9 N -2.78 -0.02 0.40 5.18 1.01 -1.26 -1.73 121.20 122.01 3hox s ILE 9 Ca 0.00 0.07 0.07 0.00 0.00 0.00 0.00 60.65 60.79 3hox s ILE 9 Cb 0.00 -0.23 -0.08 0.00 0.01 0.00 0.00 42.46 42.16 3hox s ILE 9 CO 0.00 0.03 0.01 -0.36 0.00 0.00 0.00 174.94 174.61 3hox s PHE 10 N 0.50 2.47 -0.13 3.97 0.40 -0.41 -1.71 117.98 123.08 3hox s PHE 10 Ca -0.04 -0.68 0.00 0.00 -0.60 0.00 0.00 56.93 55.62 3hox s PHE 10 Cb -0.05 -1.72 0.02 0.00 0.51 0.00 0.00 43.02 41.78 3hox s PHE 10 CO -0.02 0.43 -0.12 -1.14 0.70 0.00 0.00 175.22 175.07 3hox s GLN 11 N -3.72 1.98 -0.78 0.44 0.74 -0.77 -1.87 119.66 115.68 3hox s GLN 11 Ca 0.35 -0.44 -0.28 0.00 0.05 0.00 0.00 55.36 55.04 3hox s GLN 11 Cb 0.09 -1.85 -0.16 0.00 1.10 0.00 0.00 33.01 32.19 3hox s GLN 11 CO 0.18 -0.21 2.55 0.28 -0.55 0.00 0.00 175.29 177.53 3hox n VAL 12 N 4.70 -0.04 0.38 1.34 0.31 -1.17 -3.11 118.33 120.74 3hox n VAL 12 Ca -0.16 -0.38 -0.19 0.00 -0.01 0.00 0.00 64.34 63.60 3hox n VAL 12 Cb 0.50 -1.50 -0.10 0.00 -0.91 0.00 0.00 33.84 31.83 3hox n VAL 12 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 3hox h SER 13 N 15.19 -1.23 -3.37 4.52 0.87 0.98 0.50 113.55 131.01 3hox h SER 13 Ca -0.12 0.08 0.03 0.00 -1.23 0.00 0.00 61.79 60.54 3hox h SER 13 Cb 1.27 0.37 -0.24 0.00 -0.44 0.00 0.00 62.40 63.37 3hox h SER 13 CO 1.29 -0.70 0.29 -0.70 -0.53 0.00 0.00 176.83 176.47 3hox s GLU 14 N -5.94 0.63 -0.16 2.24 -6.30 -0.96 -4.57 118.70 103.63 3hox s GLU 14 Ca -0.19 0.81 -0.05 0.00 -2.50 0.00 0.00 54.97 53.04 3hox s GLU 14 Cb 0.04 0.27 -0.03 0.00 0.00 0.00 0.00 34.13 34.40 3hox s GLU 14 CO 0.61 -0.09 0.01 0.08 0.02 0.00 0.00 175.26 175.89 3hox s VAL 15 N 0.57 4.36 -0.09 3.70 1.01 -1.26 -2.22 120.40 126.46 3hox s VAL 15 Ca -0.01 -0.19 0.04 0.00 0.00 0.00 0.00 61.98 61.82 3hox s VAL 15 Cb -0.05 -2.93 -0.00 0.00 0.00 0.00 0.00 36.38 33.40 3hox s VAL 15 CO -0.06 0.49 -0.23 -0.62 0.00 0.00 0.00 175.10 174.67 3hox s ASP 16 N 0.28 2.97 -0.58 3.32 2.15 0.88 -4.97 116.67 120.73 3hox s ASP 16 Ca 0.00 -0.53 0.03 0.00 0.43 0.00 0.00 52.55 52.48 3hox s ASP 16 Cb -0.13 -1.30 0.40 0.00 -0.30 0.00 0.00 42.92 41.59 3hox s ASP 16 CO 0.02 0.16 1.44 -0.81 -0.17 0.00 0.00 175.17 175.80 3hox n PRO 17 N 3.48 3.20 -1.56 4.34 -0.04 -1.26 -0.50 135.00 142.66 3hox n PRO 17 Ca -0.19 -4.15 -0.46 0.00 -0.04 0.00 0.00 63.50 58.66 3hox n PRO 17 Cb 0.53 -2.26 -0.05 0.00 -0.04 0.00 0.00 33.50 31.68 3hox n PRO 17 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3hox n GLY 18 N -0.52 0.92 4.04 0.55 0.00 -1.26 -2.52 105.19 106.41 3hox n GLY 18 Ca 0.45 0.85 -0.33 0.00 0.00 0.00 0.00 46.02 46.99 3hox n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hox n ARG 19 N 8.27 -1.64 -3.06 1.61 5.12 -1.26 -4.93 116.66 120.77 3hox n ARG 19 Ca 0.33 0.25 -0.19 0.00 -1.93 0.00 0.00 57.85 56.31 3hox n ARG 19 Cb 0.35 -3.77 -0.03 0.00 -1.16 0.00 0.00 32.46 27.85 3hox n ARG 19 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 3hox n TYR 20 N -4.56 -1.18 -0.20 -1.55 0.53 -1.05 -5.00 117.16 104.15 3hox n TYR 20 Ca -0.24 -3.07 0.16 0.00 -1.02 0.00 0.00 57.90 53.73 3hox n TYR 20 Cb 0.65 0.19 0.25 0.00 -1.03 0.00 0.00 39.34 39.40 3hox n TYR 20 CO 0.00 0.00 0.00 0.09 -1.02 0.00 0.00 176.86 175.93 3hox n ASN 21 N 1.38 0.00 -0.01 7.72 3.02 -1.26 -0.37 115.26 125.74 3hox n ASN 21 Ca 0.18 0.31 0.00 0.00 -0.03 0.00 0.00 54.58 55.04 3hox n ASN 21 Cb 0.57 -0.15 0.00 0.00 -0.61 0.00 0.00 39.78 39.59 3hox n ASN 21 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3hox n LYS 22 N -2.48 0.46 -3.87 3.52 5.02 -1.26 -5.00 118.16 114.55 3hox n LYS 22 Ca 0.13 -0.67 -0.12 0.00 -2.02 0.00 0.00 58.31 55.63 3hox n LYS 22 Cb 0.64 -0.58 -0.14 0.00 -0.02 0.00 0.00 35.03 34.93 3hox n LYS 22 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3hox s VAL 23 N -0.16 0.01 -0.04 -0.18 1.01 0.50 -2.81 120.40 118.72 3hox s VAL 23 Ca 0.00 -0.05 0.01 0.00 0.00 0.00 0.00 61.98 61.94 3hox s VAL 23 Cb 0.00 -0.05 0.02 0.00 0.00 0.00 0.00 36.38 36.35 3hox s VAL 23 CO 0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 175.10 175.05 3hox s ARG 25 N 1.05 4.33 0.33 0.00 3.52 0.34 0.15 118.95 128.68 3hox s ARG 25 Ca -0.09 0.89 0.09 0.00 -0.13 0.00 0.00 55.73 56.49 3hox s ARG 25 Cb -0.14 -3.53 -0.06 0.00 -1.56 0.00 0.00 34.95 29.66 3hox s ARG 25 CO -0.01 -0.17 -0.10 -1.50 -0.81 0.00 0.00 175.30 172.71 3hox s ILE 26 N 1.62 2.18 -0.06 4.11 2.07 0.92 -0.08 121.20 131.96 3hox s ILE 26 Ca 0.36 -2.21 -0.10 0.00 -1.41 0.00 0.00 60.65 57.29 3hox s ILE 26 Cb -0.17 -2.60 0.02 0.00 0.13 0.00 0.00 42.46 39.84 3hox s ILE 26 CO 0.14 -0.23 0.25 -1.61 -1.91 0.00 0.00 174.94 171.58 3hox s GLU 27 N -3.62 0.41 0.07 3.50 2.02 -0.94 -0.57 118.70 119.57 3hox s GLU 27 Ca 0.32 0.11 -0.26 0.00 0.02 0.00 0.00 54.97 55.16 3hox s GLU 27 Cb 0.02 0.19 0.08 0.00 0.10 0.00 0.00 34.13 34.52 3hox s GLU 27 CO 0.16 -0.08 0.70 0.00 0.02 0.00 0.00 175.26 176.06 3hox s ALA 28 N -0.45 -1.70 0.30 5.21 0.00 -1.10 0.15 121.76 124.18 3hox s ALA 28 Ca -0.06 0.80 0.07 0.00 0.00 0.00 0.00 51.96 52.77 3hox s ALA 28 Cb -0.04 0.56 -0.03 0.00 0.00 0.00 0.00 23.12 23.62 3hox s ALA 28 CO 0.01 -0.67 0.29 0.00 0.00 0.00 0.00 175.76 175.40 3hox s ALA 29 N -3.09 3.82 0.17 0.00 0.00 -1.18 -1.50 121.76 119.98 3hox s ALA 29 Ca 0.00 -1.52 -0.30 0.00 0.00 0.00 0.00 51.96 50.14 3hox s ALA 29 Cb -0.01 -1.32 -0.07 0.00 0.00 0.00 0.00 23.12 21.72 3hox s ALA 29 CO -0.08 0.09 1.10 0.45 0.00 0.00 0.00 175.76 177.32 3hox s SER 30 N -3.97 7.27 -1.03 0.00 0.15 0.20 -1.84 113.70 114.47 3hox s SER 30 Ca 0.38 2.07 -0.04 0.00 0.70 0.00 0.00 55.95 59.06 3hox s SER 30 Cb -0.07 -2.60 0.13 0.00 -1.71 0.00 0.00 66.02 61.77 3hox s SER 30 CO 0.27 -0.23 2.44 0.35 1.20 0.00 0.00 173.24 177.27 3hox n THR 31 N 2.49 4.73 0.00 6.45 -2.24 -0.69 -4.38 114.28 120.63 3hox n THR 31 Ca 0.03 -4.10 0.00 0.00 -2.27 0.00 0.00 64.05 57.71 3hox n THR 31 Cb 0.46 -1.86 0.00 0.00 -2.10 0.00 0.00 70.33 66.83 3hox n THR 31 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3hox n THR 32 N 1.24 0.00 -2.03 4.28 -1.04 -1.26 -4.93 114.28 110.54 3hox n THR 32 Ca 0.57 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 62.17 3hox n THR 32 Cb 0.33 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.82 3hox n THR 32 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 3hox s GLN 33 N 0.99 4.28 -0.37 -2.82 1.11 -1.26 -4.84 119.66 116.74 3hox s GLN 33 Ca 0.00 2.30 0.02 0.00 0.01 0.00 0.00 55.36 57.69 3hox s GLN 33 Cb 0.00 -3.09 0.47 0.00 -1.01 0.00 0.00 33.01 29.38 3hox s GLN 33 CO 0.00 -0.37 1.75 -0.25 0.01 0.00 0.00 175.29 176.43 3hox n ASP 34 N 1.86 4.24 -0.01 5.90 8.00 -1.26 -3.41 116.55 131.87 3hox n ASP 34 Ca 0.05 -3.25 -0.02 0.00 0.71 0.00 0.00 54.79 52.28 3hox n ASP 34 Cb 0.41 -0.80 -0.01 0.00 -0.02 0.00 0.00 41.12 40.69 3hox n ASP 34 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hox n GLN 35 N -0.66 0.70 -2.11 -1.24 6.02 -1.26 -4.97 117.38 113.86 3hox n GLN 35 Ca 0.45 0.01 -0.28 0.00 -0.01 0.00 0.00 57.00 57.17 3hox n GLN 35 Cb 1.24 -1.05 -0.05 0.00 1.02 0.00 0.00 30.24 31.40 3hox n GLN 35 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3hox s LYS 37 N 6.71 3.08 -0.10 0.00 1.02 -1.26 -0.63 119.74 128.57 3hox s LYS 37 Ca 0.67 -0.38 -0.15 0.00 0.02 0.00 0.00 55.97 56.13 3hox s LYS 37 Cb -0.05 -2.51 0.04 0.00 -0.52 0.00 0.00 37.83 34.78 3hox s LYS 37 CO -0.00 -0.31 0.39 -1.17 -0.92 0.00 0.00 175.35 173.33 3hox s LEU 38 N -4.62 0.53 -0.05 3.17 2.96 -0.57 -2.78 118.68 117.33 3hox s LEU 38 Ca 0.49 0.57 0.01 0.00 -0.22 0.00 0.00 54.13 54.99 3hox s LEU 38 Cb -0.10 1.40 0.02 0.00 0.50 0.00 0.00 46.19 48.01 3hox s LEU 38 CO 0.39 -0.26 -0.07 -0.89 -1.32 0.00 0.00 176.35 174.20 3hox s THR 39 N -0.35 0.68 -0.26 3.68 2.01 -0.27 -2.71 115.64 118.43 3hox s THR 39 Ca -0.05 -0.22 -0.10 0.00 0.31 0.00 0.00 61.69 61.63 3hox s THR 39 Cb -0.03 -0.67 0.11 0.00 0.01 0.00 0.00 72.50 71.91 3hox s THR 39 CO 0.02 0.25 0.58 -0.22 -0.69 0.00 0.00 174.62 174.56 3hox s LEU 40 N 0.77 -0.90 0.26 4.42 2.96 0.26 -0.16 118.68 126.30 3hox s LEU 40 Ca -0.12 1.36 -0.29 0.00 -0.22 0.00 0.00 54.13 54.86 3hox s LEU 40 Cb -0.14 2.00 -0.09 0.00 0.50 0.00 0.00 46.19 48.45 3hox s LEU 40 CO 0.01 -0.22 1.12 -1.81 -1.32 0.00 0.00 176.35 174.12 3hox s ASP 41 N 2.48 7.23 -0.01 3.68 1.01 -0.90 -0.05 116.67 130.11 3hox s ASP 41 Ca -0.06 2.27 0.02 0.00 0.71 0.00 0.00 52.55 55.49 3hox s ASP 41 Cb -0.10 -2.62 -0.00 0.00 1.01 0.00 0.00 42.92 41.20 3hox s ASP 41 CO -0.17 -0.19 -0.05 -0.63 0.21 0.00 0.00 175.17 174.34 3hox s ILE 42 N -0.97 0.43 -0.97 0.77 1.01 0.39 -4.79 121.20 117.07 3hox s ILE 42 Ca 0.46 -0.22 -0.24 0.00 0.00 0.00 0.00 60.65 60.65 3hox s ILE 42 Cb -0.32 -0.38 0.03 0.00 0.01 0.00 0.00 42.46 41.81 3hox s ILE 42 CO 0.41 0.13 1.51 0.21 0.00 0.00 0.00 174.94 177.20 3hox s ASN 43 N -0.04 6.26 0.00 3.58 2.47 -1.26 -0.62 114.94 125.32 3hox s ASN 43 Ca 0.01 -1.22 -0.01 0.00 0.42 0.00 0.00 52.86 52.05 3hox s ASN 43 Cb -0.03 -2.57 -0.06 0.00 -1.45 0.00 0.00 41.25 37.15 3hox s ASN 43 CO -0.00 -1.73 2.27 0.52 -3.72 0.00 0.00 177.10 174.44 3hox n VAL 44 N 6.99 2.14 0.00 -5.21 0.31 -1.12 -2.12 118.33 119.32 3hox n VAL 44 Ca 0.31 -0.69 0.00 0.00 -0.01 0.00 0.00 64.34 63.95 3hox n VAL 44 Cb 0.50 -1.59 0.00 0.00 -0.91 0.00 0.00 33.84 31.84 3hox n VAL 44 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3hox n GLU 45 N 1.73 1.90 -0.75 5.55 2.13 -1.26 -4.46 120.64 125.48 3hox n GLU 45 Ca 0.09 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 57.89 3hox n GLU 45 Cb 0.57 -0.70 0.20 0.00 0.27 0.00 0.00 31.44 31.78 3hox n GLU 45 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3hox n LEU 46 N -1.04 3.83 0.00 4.31 4.77 -0.90 -4.78 117.00 123.19 3hox n LEU 46 Ca 0.00 -3.79 0.00 0.00 -0.03 0.00 0.00 56.01 52.19 3hox n LEU 46 Cb 0.17 -0.61 0.00 0.00 -2.33 0.00 0.00 43.42 40.65 3hox n LEU 46 CO 0.00 1.28 0.00 0.33 -1.33 0.00 0.00 177.39 177.67 3hox n PHE 47 N -1.12 0.00 -0.98 -1.77 7.35 -1.16 -4.89 117.46 114.90 3hox n PHE 47 Ca 0.30 0.00 -0.31 0.00 -0.76 0.00 0.00 57.45 56.68 3hox n PHE 47 Cb 0.96 0.00 0.13 0.00 0.35 0.00 0.00 39.48 40.92 3hox n PHE 47 CO 0.00 0.00 0.00 -2.14 -0.76 0.00 0.00 176.76 173.86 3hox s PRO 48 N 0.00 1.57 -0.17 -7.13 0.02 -1.26 -4.02 135.00 124.01 3hox s PRO 48 Ca 0.00 1.45 -0.07 0.00 0.02 0.00 0.00 61.00 62.40 3hox s PRO 48 Cb 0.00 -1.80 0.07 0.00 0.02 0.00 0.00 34.50 32.79 3hox s PRO 48 CO 0.00 -2.20 0.37 0.08 -0.33 0.00 0.00 177.00 174.92 3hox s VAL 49 N -2.65 -0.28 -0.06 3.83 1.01 -1.26 -5.02 120.40 115.96 3hox s VAL 49 Ca 0.66 0.15 0.05 0.00 0.00 0.00 0.00 61.98 62.84 3hox s VAL 49 Cb -0.22 -0.58 -0.01 0.00 0.00 0.00 0.00 36.38 35.58 3hox s VAL 49 CO 0.56 0.06 -0.23 0.00 0.00 0.00 0.00 175.10 175.48 3hox s ALA 50 N 1.91 2.05 0.80 5.51 0.00 -1.26 -4.94 121.76 125.83 3hox s ALA 50 Ca -0.06 -0.96 -0.17 0.00 0.00 0.00 0.00 51.96 50.77 3hox s ALA 50 Cb -0.10 -0.67 -0.11 0.00 0.00 0.00 0.00 23.12 22.23 3hox s ALA 50 CO -0.12 0.36 -0.22 0.00 0.00 0.00 0.00 175.76 175.79 3hox n ALA 51 N 3.12 -3.70 -2.44 0.00 0.00 -1.26 -4.30 120.51 111.93 3hox n ALA 51 Ca -0.18 -0.41 -0.02 0.00 0.00 0.00 0.00 53.44 52.83 3hox n ALA 51 Cb 0.52 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.55 3hox n ALA 51 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3hox n GLN 52 N 1.13 -2.29 -3.73 0.00 1.13 0.17 -4.90 117.38 108.90 3hox n GLN 52 Ca 0.04 2.02 -0.13 0.00 -1.94 0.00 0.00 57.00 56.99 3hox n GLN 52 Cb 0.52 -4.39 -0.10 0.00 0.11 0.00 0.00 30.24 26.38 3hox n GLN 52 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 3hox s ASP 53 N -1.58 -0.45 -0.68 1.08 -1.08 -1.26 -4.76 116.67 107.94 3hox s ASP 53 Ca 0.07 0.86 -0.27 0.00 -0.52 0.00 0.00 52.55 52.69 3hox s ASP 53 Cb -0.02 0.87 0.03 0.00 -1.46 0.00 0.00 42.92 42.34 3hox s ASP 53 CO 0.58 -0.15 1.24 -0.55 0.52 0.00 0.00 175.17 176.81 3hox s SER 54 N 0.26 6.26 -0.06 -0.34 0.15 -1.26 -3.07 113.70 115.64 3hox s SER 54 Ca -0.00 -0.27 0.03 0.00 0.70 0.00 0.00 55.95 56.41 3hox s SER 54 Cb -0.03 -2.56 0.01 0.00 -1.71 0.00 0.00 66.02 61.73 3hox s SER 54 CO 0.00 -1.71 -0.15 -0.76 1.20 0.00 0.00 173.24 171.82 3hox s LEU 55 N 5.45 1.80 -0.20 3.45 1.43 -0.78 -4.66 118.68 125.15 3hox s LEU 55 Ca 0.37 -0.33 -0.15 0.00 -1.03 0.00 0.00 54.13 53.00 3hox s LEU 55 Cb -0.08 -0.90 -0.04 0.00 0.03 0.00 0.00 46.19 45.20 3hox s LEU 55 CO 0.18 0.09 0.35 -0.89 0.23 0.00 0.00 176.35 176.31 3hox s THR 56 N 0.36 5.24 -0.10 5.49 2.01 -0.97 -1.28 115.64 126.38 3hox s THR 56 Ca -0.10 0.61 -0.00 0.00 0.31 0.00 0.00 61.69 62.51 3hox s THR 56 Cb -0.14 -3.68 -0.03 0.00 0.01 0.00 0.00 72.50 68.66 3hox s THR 56 CO 0.03 0.28 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.47 3hox s VAL 57 N 1.17 3.54 0.30 3.82 1.01 -0.70 -2.73 120.40 126.80 3hox s VAL 57 Ca 0.17 -0.52 0.04 0.00 0.00 0.00 0.00 61.98 61.68 3hox s VAL 57 Cb -0.14 -2.47 -0.02 0.00 0.00 0.00 0.00 36.38 33.75 3hox s VAL 57 CO 0.07 0.56 0.15 0.41 0.00 0.00 0.00 175.10 176.29 3hox n THR 58 N 2.83 0.00 0.00 3.92 -1.04 -0.93 -2.88 114.28 116.18 3hox n THR 58 Ca -0.18 -1.89 0.00 0.00 -2.04 0.00 0.00 64.05 59.94 3hox n THR 58 Cb 0.53 0.78 0.00 0.00 -1.82 0.00 0.00 70.33 69.81 3hox n THR 58 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 3hox n ILE 59 N -0.64 0.00 -0.84 12.58 5.41 -1.11 -3.72 119.36 131.04 3hox n ILE 59 Ca -0.01 0.00 0.05 0.00 1.00 0.00 0.00 62.75 63.79 3hox n ILE 59 Cb 0.48 0.00 -0.03 0.00 -0.71 0.00 0.00 39.64 39.38 3hox n ILE 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3hox n ALA 60 N -3.00 -1.72 -2.28 -1.39 0.00 -1.26 -3.93 120.51 106.93 3hox n ALA 60 Ca 0.00 0.40 -0.33 0.00 0.00 0.00 0.00 53.44 53.51 3hox n ALA 60 Cb 0.00 -0.96 0.02 0.00 0.00 0.00 0.00 19.45 18.51 3hox n ALA 60 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3hox n SER 61 N -2.73 6.04 0.00 0.00 7.64 -1.22 -1.71 113.62 121.65 3hox n SER 61 Ca -0.03 -3.77 0.00 0.00 1.01 0.00 0.00 58.87 56.08 3hox n SER 61 Cb 0.33 -0.76 0.00 0.00 -1.01 0.00 0.00 64.21 62.76 3hox n SER 61 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 3hox n SER 62 N -0.47 0.00 -1.04 6.43 2.88 -1.26 -3.60 113.62 116.56 3hox n SER 62 Ca 0.45 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.95 3hox n SER 62 Cb 0.44 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.87 3hox n SER 62 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3hox n LEU 63 N 0.00 -0.72 0.09 2.46 4.77 -1.26 -4.79 117.00 117.56 3hox n LEU 63 Ca 0.00 -1.50 0.00 0.00 -0.03 0.00 0.00 56.01 54.48 3hox n LEU 63 Cb 0.00 0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 3hox n LEU 63 CO 0.00 1.21 0.00 -0.46 -1.33 0.00 0.00 177.39 176.81 3hox n ASN 64 N -0.15 -0.39 -3.53 -1.43 6.94 -1.26 -0.18 115.26 115.26 3hox n ASN 64 Ca -0.18 0.30 -0.08 0.00 -0.02 0.00 0.00 54.58 54.60 3hox n ASN 64 Cb 0.58 0.51 -0.03 0.00 -2.36 0.00 0.00 39.78 38.48 3hox n ASN 64 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 3hox s THR 76 N -1.54 0.00 0.00 5.53 -4.23 -1.26 -4.99 115.64 109.15 3hox s THR 76 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.51 3hox s THR 76 Cb 0.00 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 72.84 3hox s THR 76 CO 0.00 0.00 0.00 -1.14 -0.54 0.00 0.00 174.62 172.94 3hox n ARG 77 N 0.01 0.00 -1.51 3.99 0.63 -1.26 -5.07 116.66 113.45 3hox n ARG 77 Ca -0.08 0.00 -0.27 0.00 -0.92 0.00 0.00 57.85 56.59 3hox n ARG 77 Cb 0.60 0.00 -0.18 0.00 0.45 0.00 0.00 32.46 33.33 3hox n ARG 77 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 3hox n SER 78 N 0.00 -0.49 -4.62 6.15 2.88 -1.26 -4.74 113.62 111.54 3hox n SER 78 Ca 0.00 -0.46 -0.53 0.00 -1.33 0.00 0.00 58.87 56.55 3hox n SER 78 Cb 0.00 -0.80 -0.06 0.00 -0.75 0.00 0.00 64.21 62.60 3hox n SER 78 CO 0.00 0.00 0.00 1.87 -1.23 0.00 0.00 175.04 175.68 3hox n TRP 79 N 8.73 1.67 -3.83 0.66 -0.00 -1.26 -4.95 117.44 118.46 3hox n TRP 79 Ca 0.64 0.59 -0.21 0.00 -0.00 0.00 0.00 57.50 58.52 3hox n TRP 79 Cb 0.16 -2.37 -0.02 0.00 -0.00 0.00 0.00 31.31 29.08 3hox n TRP 79 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 177.69 178.72 3hox s ARG 80 N 1.18 3.38 0.00 5.87 0.52 -1.26 -5.12 118.95 123.52 3hox s ARG 80 Ca 0.87 -0.77 0.00 0.00 -0.52 0.00 0.00 55.73 55.31 3hox s ARG 80 Cb -0.96 -2.86 0.00 0.00 0.52 0.00 0.00 34.95 31.65 3hox s ARG 80 CO 0.50 0.34 0.00 -2.30 0.02 0.00 0.00 175.30 173.86 3hox n PRO 81 N -1.48 2.68 0.00 3.54 -0.02 -1.26 -5.00 135.00 133.46 3hox n PRO 81 Ca -0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.41 3hox n PRO 81 Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.05 3hox n PRO 81 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3hox n PRO 82 N 0.00 0.00 0.00 0.52 -0.04 -1.26 -4.64 135.00 129.59 3hox n PRO 82 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3hox n PRO 82 Cb 0.00 -0.43 0.00 0.00 -0.04 0.00 0.00 33.50 33.03 3hox n PRO 82 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3hox n GLN 83 N -0.27 0.00 0.00 0.54 6.02 -1.26 -4.51 117.38 117.90 3hox n GLN 83 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3hox n GLN 83 Cb 0.00 -2.23 0.00 0.00 1.02 0.00 0.00 30.24 29.03 3hox n GLN 83 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3hox n ALA 84 N 0.23 2.03 -0.42 -1.58 0.00 -1.26 -3.94 120.51 115.57 3hox n ALA 84 Ca 0.00 0.00 0.34 0.00 0.00 0.00 0.00 53.44 53.78 3hox n ALA 84 Cb 0.00 -1.00 0.62 0.00 0.00 0.00 0.00 19.45 19.07 3hox n ALA 84 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3hox h GLY 85 N 3.36 1.22 -6.45 0.00 0.00 -1.98 -2.88 103.07 96.34 3hox h GLY 85 Ca 0.00 -0.13 -0.35 0.00 0.00 0.00 0.00 47.33 46.85 3hox h GLY 85 CO 0.00 -0.32 -0.66 -0.35 0.00 0.00 0.00 176.54 175.21 3hox s ASP 86 N -4.68 1.51 0.19 0.19 -1.08 -1.25 -5.12 116.67 106.43 3hox s ASP 86 Ca -0.08 -1.08 0.00 0.00 -0.52 0.00 0.00 52.55 50.87 3hox s ASP 86 Cb 0.28 0.51 0.00 0.00 -1.46 0.00 0.00 42.92 42.26 3hox s ASP 86 CO 0.82 -0.34 0.24 0.54 0.52 0.00 0.00 175.17 176.95 3hox n ARG 87 N 4.90 0.35 -1.20 4.34 1.74 -1.09 -5.10 116.66 120.60 3hox n ARG 87 Ca 0.03 -1.58 -0.29 0.00 -0.77 0.00 0.00 57.85 55.23 3hox n ARG 87 Cb 0.46 1.47 0.15 0.00 -1.02 0.00 0.00 32.46 33.52 3hox n ARG 87 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 3hox s SER 88 N -2.20 3.21 -0.30 0.55 0.01 -1.26 -5.04 113.70 108.67 3hox s SER 88 Ca 0.17 1.39 -0.12 0.00 1.31 0.00 0.00 55.95 58.70 3hox s SER 88 Cb -0.00 -2.06 0.20 0.00 0.21 0.00 0.00 66.02 64.37 3hox s SER 88 CO 0.12 -2.79 1.17 -1.48 0.41 0.00 0.00 173.24 170.67 3hox s LEU 89 N -6.29 -0.02 0.00 2.44 2.34 -1.08 -4.95 118.68 111.12 3hox s LEU 89 Ca 0.64 -0.02 0.00 0.00 0.06 0.00 0.00 54.13 54.81 3hox s LEU 89 Cb -0.18 0.03 0.00 0.00 -0.56 0.00 0.00 46.19 45.47 3hox s LEU 89 CO 0.57 -0.00 0.14 0.00 -1.06 0.00 0.00 176.35 176.00 3hox n ALA 90 N 3.02 1.46 0.69 1.48 0.00 0.74 -3.90 120.51 124.01 3hox n ALA 90 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 3hox n ALA 90 Cb 0.66 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.11 3hox n ALA 90 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3hox n ASP 91 N 0.60 0.72 -1.91 0.00 5.75 -1.26 -4.54 116.55 115.91 3hox n ASP 91 Ca 0.00 -1.38 -0.02 0.00 -0.01 0.00 0.00 54.79 53.38 3hox n ASP 91 Cb 0.07 -0.35 -0.02 0.00 -1.03 0.00 0.00 41.12 39.79 3hox n ASP 91 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3hox n ASP 92 N 0.16 2.50 -1.94 -1.12 8.00 -1.25 -4.61 116.55 118.30 3hox n ASP 92 Ca 0.00 -1.75 -0.08 0.00 0.71 0.00 0.00 54.79 53.67 3hox n ASP 92 Cb 0.18 -0.57 -0.03 0.00 -0.02 0.00 0.00 41.12 40.68 3hox n ASP 92 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3hox n TYR 93 N 2.05 -0.54 -2.58 1.24 4.02 -1.26 -4.88 117.16 115.21 3hox n TYR 93 Ca 0.06 -1.16 -0.14 0.00 -0.01 0.00 0.00 57.90 56.64 3hox n TYR 93 Cb 0.29 0.17 0.02 0.00 -0.02 0.00 0.00 39.34 39.80 3hox n TYR 93 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 3hox n ASP 94 N -2.25 2.67 0.00 7.72 5.75 -0.34 -4.96 116.55 125.14 3hox n ASP 94 Ca 0.02 -3.00 0.00 0.00 -0.01 0.00 0.00 54.79 51.80 3hox n ASP 94 Cb 0.26 -0.49 0.00 0.00 -1.03 0.00 0.00 41.12 39.86 3hox n ASP 94 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3hox n TYR 95 N -0.29 0.00 -3.94 2.11 -0.00 -1.23 -4.87 117.16 108.93 3hox n TYR 95 Ca 0.20 0.00 -0.27 0.00 -0.00 0.00 0.00 57.90 57.83 3hox n TYR 95 Cb 0.78 0.00 -0.17 0.00 -0.00 0.00 0.00 39.34 39.95 3hox n TYR 95 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.86 176.94 3hox s VAL 96 N 0.00 1.13 0.08 2.97 1.01 -1.26 -1.50 120.40 122.83 3hox s VAL 96 Ca 0.00 -0.35 0.01 0.00 0.00 0.00 0.00 61.98 61.64 3hox s VAL 96 Cb 0.00 -1.13 0.01 0.00 0.00 0.00 0.00 36.38 35.27 3hox s VAL 96 CO 0.00 0.39 0.10 0.23 0.00 0.00 0.00 175.10 175.81 3hox n MET 97 N 4.89 1.04 -3.64 2.72 2.81 -0.04 -4.90 117.12 119.99 3hox n MET 97 Ca -0.13 -0.44 -0.15 0.00 -1.81 0.00 0.00 57.70 55.17 3hox n MET 97 Cb 0.50 -0.02 -0.08 0.00 -0.71 0.00 0.00 33.22 32.92 3hox n MET 97 CO 0.00 0.00 0.00 -0.47 1.51 0.00 0.00 175.97 177.01 3hox s TYR 98 N 0.31 -0.62 0.00 2.03 5.04 -1.26 -1.80 117.35 121.05 3hox s TYR 98 Ca 0.08 1.38 0.00 0.00 -2.44 0.00 0.00 57.07 56.09 3hox s TYR 98 Cb -0.01 0.26 0.00 0.00 0.35 0.00 0.00 41.96 42.56 3hox s TYR 98 CO 0.05 -0.39 0.00 0.41 -1.34 0.00 0.00 175.55 174.28 3hox n GLY 99 N 2.19 1.73 3.18 8.97 0.00 -1.17 -4.39 105.19 115.71 3hox n GLY 99 Ca -0.16 -0.74 -0.18 0.00 0.00 0.00 0.00 46.02 44.94 3hox n GLY 99 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hox s THR 100 N -2.52 1.16 -0.25 2.61 2.01 0.18 -4.30 115.64 114.52 3hox s THR 100 Ca 0.00 -1.37 -0.19 0.00 0.31 0.00 0.00 61.69 60.44 3hox s THR 100 Cb 0.00 -1.15 -0.02 0.00 0.01 0.00 0.00 72.50 71.34 3hox s THR 100 CO 0.00 -0.25 0.55 0.00 -0.69 0.00 0.00 174.62 174.24 3hox s ALA 101 N -1.39 3.59 -0.16 7.40 0.00 -1.25 -0.79 121.76 129.17 3hox s ALA 101 Ca -0.00 -0.52 -0.16 0.00 0.00 0.00 0.00 51.96 51.27 3hox s ALA 101 Cb -0.09 -2.93 -0.06 0.00 0.00 0.00 0.00 23.12 20.04 3hox s ALA 101 CO 0.02 -0.73 -0.31 2.48 0.00 0.00 0.00 175.76 177.22 3hox n TYR 102 N 5.51 0.00 -3.77 0.00 -0.00 -0.65 -4.80 117.16 113.45 3hox n TYR 102 Ca -0.03 0.00 -0.36 0.00 -0.00 0.00 0.00 57.90 57.51 3hox n TYR 102 Cb 0.50 -0.47 -0.06 0.00 -0.00 0.00 0.00 39.34 39.31 3hox n TYR 102 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.86 177.07 3hox s LYS 103 N -2.79 3.58 -0.36 -3.48 2.47 -1.25 -4.95 119.74 112.96 3hox s LYS 103 Ca -0.26 -0.01 0.09 0.00 -1.56 0.00 0.00 55.97 54.22 3hox s LYS 103 Cb 0.04 -3.16 0.45 0.00 -1.46 0.00 0.00 37.83 33.70 3hox s LYS 103 CO 0.39 0.72 1.12 1.19 0.16 0.00 0.00 175.35 178.92 3hox n PHE 104 N 1.63 2.73 -1.53 4.03 3.01 -1.26 -0.54 117.46 125.53 3hox n PHE 104 Ca -0.16 -2.66 -0.42 0.00 1.01 0.00 0.00 57.45 55.22 3hox n PHE 104 Cb 0.54 -0.22 0.01 0.00 -0.01 0.00 0.00 39.48 39.79 3hox n PHE 104 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 3hox n GLU 105 N -0.53 0.92 -3.77 -1.08 2.13 -0.94 -4.81 120.64 112.56 3hox n GLU 105 Ca 0.35 0.33 -0.35 0.00 0.66 0.00 0.00 57.16 58.15 3hox n GLU 105 Cb 0.80 -1.75 -0.11 0.00 0.27 0.00 0.00 31.44 30.65 3hox n GLU 105 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 3hox s GLU 106 N -1.78 2.39 -0.63 5.31 2.02 -1.26 -1.57 118.70 123.17 3hox s GLU 106 Ca 0.63 -2.48 -0.04 0.00 0.02 0.00 0.00 54.97 53.11 3hox s GLU 106 Cb -0.59 -3.63 -0.04 0.00 0.10 0.00 0.00 34.13 29.97 3hox s GLU 106 CO 0.57 -1.15 1.79 0.28 0.02 0.00 0.00 175.26 176.77 3hox n VAL 107 N 3.52 1.72 -0.08 2.63 0.31 -0.24 -4.87 118.33 121.33 3hox n VAL 107 Ca 0.06 -1.02 0.01 0.00 -0.01 0.00 0.00 64.34 63.38 3hox n VAL 107 Cb 0.37 -1.94 -0.00 0.00 -0.91 0.00 0.00 33.84 31.36 3hox n VAL 107 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3hox n SER 108 N 4.37 -0.46 0.00 4.52 3.41 -1.26 -4.38 113.62 119.83 3hox n SER 108 Ca 0.31 0.08 0.00 0.00 -0.26 0.00 0.00 58.87 59.00 3hox n SER 108 Cb 0.10 -0.68 0.00 0.00 -0.26 0.00 0.00 64.21 63.37 3hox n SER 108 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 3hox n LYS 109 N -0.68 0.00 0.00 4.33 4.81 -1.26 -1.85 118.16 123.51 3hox n LYS 109 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3hox n LYS 109 Cb 0.03 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.08 3hox n LYS 109 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 3hox n ASP 110 N 5.98 1.80 -4.55 3.14 5.75 -1.26 -5.00 116.55 122.41 3hox n ASP 110 Ca 0.00 -1.86 -0.42 0.00 -0.01 0.00 0.00 54.79 52.50 3hox n ASP 110 Cb 0.00 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.02 3hox n ASP 110 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3hox s LEU 111 N -0.86 4.36 -0.07 -2.12 1.43 -0.77 -4.49 118.68 116.16 3hox s LEU 111 Ca 0.00 -0.09 0.05 0.00 -1.03 0.00 0.00 54.13 53.06 3hox s LEU 111 Cb 0.00 -2.76 -0.01 0.00 0.03 0.00 0.00 46.19 43.45 3hox s LEU 111 CO 0.00 -0.68 -0.23 -0.51 0.23 0.00 0.00 176.35 175.16 3hox s ILE 112 N 2.77 2.25 0.01 -0.59 2.07 -1.10 -1.07 121.20 125.53 3hox s ILE 112 Ca 0.24 -0.99 0.06 0.00 -1.41 0.00 0.00 60.65 58.55 3hox s ILE 112 Cb -0.14 -1.84 -0.03 0.00 0.13 0.00 0.00 42.46 40.58 3hox s ILE 112 CO 0.17 0.57 -0.17 0.00 -1.91 0.00 0.00 174.94 173.59 3hox s ALA 113 N -0.10 2.59 0.16 1.50 0.00 -0.61 -3.80 121.76 121.50 3hox s ALA 113 Ca -0.05 -1.12 0.11 0.00 0.00 0.00 0.00 51.96 50.90 3hox s ALA 113 Cb -0.14 -0.80 -0.04 0.00 0.00 0.00 0.00 23.12 22.14 3hox s ALA 113 CO 0.04 0.57 -0.25 0.14 0.00 0.00 0.00 175.76 176.26 3hox s VAL 114 N -0.85 2.26 -0.07 0.00 -7.23 -1.20 -2.22 120.40 111.10 3hox s VAL 114 Ca 0.14 -1.89 0.03 0.00 -1.81 0.00 0.00 61.98 58.45 3hox s VAL 114 Cb -0.10 -2.03 -0.02 0.00 0.56 0.00 0.00 36.38 34.78 3hox s VAL 114 CO 0.04 -0.04 -0.16 -0.31 -0.31 0.00 0.00 175.10 174.32 3hox s TYR 115 N -1.41 2.68 0.02 2.82 1.51 0.30 -2.14 117.35 121.14 3hox s TYR 115 Ca 0.17 -0.34 0.06 0.00 -1.01 0.00 0.00 57.07 55.94 3hox s TYR 115 Cb -0.09 -1.67 -0.02 0.00 -0.11 0.00 0.00 41.96 40.07 3hox s TYR 115 CO 0.08 0.04 -0.17 0.71 -1.11 0.00 0.00 175.55 175.10 3hox s TYR 116 N -0.41 1.49 -0.04 2.71 1.51 -0.19 -1.63 117.35 120.80 3hox s TYR 116 Ca 0.04 -0.33 0.03 0.00 -1.01 0.00 0.00 57.07 55.80 3hox s TYR 116 Cb -0.12 -0.91 0.01 0.00 -0.11 0.00 0.00 41.96 40.82 3hox s TYR 116 CO 0.02 0.03 -0.10 0.45 -1.11 0.00 0.00 175.55 174.84 3hox s SER 117 N -0.89 1.44 -0.57 2.29 0.15 0.03 -0.35 113.70 115.81 3hox s SER 117 Ca 0.05 -0.23 0.00 0.00 0.70 0.00 0.00 55.95 56.47 3hox s SER 117 Cb -0.08 -0.49 0.15 0.00 -1.71 0.00 0.00 66.02 63.89 3hox s SER 117 CO 0.01 0.06 0.35 -0.36 1.20 0.00 0.00 173.24 174.49 3hox s PHE 118 N 0.37 3.34 -0.89 3.44 0.40 0.24 0.47 117.98 125.35 3hox s PHE 118 Ca -0.07 -2.89 -0.21 0.00 -0.60 0.00 0.00 56.93 53.15 3hox s PHE 118 Cb -0.11 -3.05 0.03 0.00 0.51 0.00 0.00 43.02 40.40 3hox s PHE 118 CO 0.01 -0.81 0.40 0.41 0.70 0.00 0.00 175.22 175.94 3hox n GLY 119 N 3.40 -0.50 0.00 4.36 0.00 -1.26 -1.85 105.19 109.34 3hox n GLY 119 Ca 0.06 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.30 3hox n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hox n GLY 120 N -1.82 2.30 3.68 -0.02 0.00 -1.26 -5.03 105.19 103.03 3hox n GLY 120 Ca -0.10 -0.74 -0.46 0.00 0.00 0.00 0.00 46.02 44.72 3hox n GLY 120 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hox n LEU 121 N 0.00 3.68 0.00 0.99 4.77 -0.77 -4.97 117.00 120.71 3hox n LEU 121 Ca 0.00 0.96 -0.19 0.00 -0.03 0.00 0.00 56.01 56.75 3hox n LEU 121 Cb 0.00 -1.43 0.08 0.00 -2.33 0.00 0.00 43.42 39.74 3hox n LEU 121 CO 0.00 0.03 0.42 0.18 -1.33 0.00 0.00 177.39 176.68 3hox n LEU 122 N 6.71 0.00 -3.63 2.23 4.77 -1.26 0.83 117.00 126.65 3hox n LEU 122 Ca 0.21 -2.11 -0.06 0.00 -0.03 0.00 0.00 56.01 54.03 3hox n LEU 122 Cb 0.33 -0.48 -0.06 0.00 -2.33 0.00 0.00 43.42 40.88 3hox n LEU 122 CO 0.71 -0.81 0.97 -0.32 -1.33 0.00 0.00 177.39 176.61 3hox s MET 123 N -4.61 0.29 -0.04 3.23 -2.45 0.53 -2.12 119.30 114.12 3hox s MET 123 Ca 0.58 0.20 0.02 0.00 -1.25 0.00 0.00 55.69 55.23 3hox s MET 123 Cb -0.04 0.14 0.02 0.00 1.25 0.00 0.00 34.83 36.20 3hox s MET 123 CO 0.37 -0.07 -0.06 0.50 1.05 0.00 0.00 175.02 176.82 3hox s ARG 124 N -0.46 0.92 0.31 4.11 3.52 0.78 -1.02 118.95 127.12 3hox s ARG 124 Ca 0.05 -0.19 0.08 0.00 -0.13 0.00 0.00 55.73 55.54 3hox s ARG 124 Cb -0.03 -0.88 -0.04 0.00 -1.56 0.00 0.00 34.95 32.44 3hox s ARG 124 CO -0.07 -0.01 0.11 -1.17 -0.81 0.00 0.00 175.30 173.35 3hox s LEU 125 N 0.66 3.30 0.00 -0.88 2.96 -0.91 -1.11 118.68 122.70 3hox s LEU 125 Ca -0.10 -0.69 0.04 0.00 -0.22 0.00 0.00 54.13 53.16 3hox s LEU 125 Cb -0.13 -1.79 -0.01 0.00 0.50 0.00 0.00 46.19 44.75 3hox s LEU 125 CO 0.01 -0.20 0.14 1.21 -1.32 0.00 0.00 176.35 176.18 3hox n GLU 126 N -1.09 0.54 0.00 1.98 4.07 -1.12 -3.22 120.64 121.81 3hox n GLU 126 Ca -0.04 -2.46 0.00 0.00 -0.06 0.00 0.00 57.16 54.60 3hox n GLU 126 Cb 0.60 1.57 0.00 0.00 -0.06 0.00 0.00 31.44 33.55 3hox n GLU 126 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3hox n GLY 127 N -0.12 0.75 0.00 8.31 0.00 -1.25 -4.62 105.19 108.27 3hox n GLY 127 Ca -0.01 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.80 3hox n GLY 127 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3hox n ASN 128 N 0.00 0.00 0.00 1.61 4.05 -1.26 -2.70 115.26 116.96 3hox n ASN 128 Ca 0.00 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.03 3hox n ASN 128 Cb 0.00 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.01 3hox n ASN 128 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 177.26 172.99 3hox n TYR 129 N 0.00 0.00 -1.05 1.20 4.02 -1.26 -4.66 117.16 115.41 3hox n TYR 129 Ca 0.00 0.00 -0.18 0.00 -0.01 0.00 0.00 57.90 57.71 3hox n TYR 129 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.31 3hox n TYR 129 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 3hox n ARG 130 N -0.93 1.93 -0.35 -0.72 3.00 -1.26 -4.44 116.66 113.89 3hox n ARG 130 Ca 0.00 -1.63 -0.03 0.00 -0.01 0.00 0.00 57.85 56.18 3hox n ARG 130 Cb 0.00 -1.75 0.11 0.00 0.00 0.00 0.00 32.46 30.82 3hox n ARG 130 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.63 176.72 3hox h ASN 131 N 2.00 1.13 -0.06 0.55 2.35 -1.94 -2.43 115.58 117.18 3hox h ASN 131 Ca 0.29 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 3hox h ASN 131 Cb 0.91 -0.29 0.00 0.00 0.05 0.00 0.00 38.32 38.99 3hox h ASN 131 CO 0.70 0.86 0.00 0.18 -1.65 0.00 0.00 177.43 177.52 3hox n LEU 132 N -4.36 2.54 0.01 1.61 4.77 -1.26 -4.86 117.00 115.44 3hox n LEU 132 Ca 0.11 -2.79 -0.00 0.00 -0.03 0.00 0.00 56.01 53.29 3hox n LEU 132 Cb 0.05 -0.35 -0.00 0.00 -2.33 0.00 0.00 43.42 40.79 3hox n LEU 132 CO 0.38 0.66 -0.03 0.59 -1.33 0.00 0.00 177.39 177.66 3hox n ASN 133 N -1.00 0.30 -4.19 -1.43 3.02 -1.04 -4.87 115.26 106.05 3hox n ASN 133 Ca 0.13 0.04 -0.28 0.00 -0.03 0.00 0.00 54.58 54.44 3hox n ASN 133 Cb 0.58 -0.17 -0.10 0.00 -0.61 0.00 0.00 39.78 39.48 3hox n ASN 133 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3hox n ASN 134 N -2.78 1.66 -4.71 6.41 3.02 -0.94 -4.89 115.26 113.03 3hox n ASN 134 Ca -0.01 -2.55 -0.32 0.00 -0.03 0.00 0.00 54.58 51.68 3hox n ASN 134 Cb 0.02 -1.34 0.13 0.00 -0.61 0.00 0.00 39.78 37.99 3hox n ASN 134 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3hox s LEU 135 N 10.01 2.98 -0.01 3.41 1.02 -1.26 -4.89 118.68 129.95 3hox s LEU 135 Ca 0.74 2.13 0.06 0.00 0.02 0.00 0.00 54.13 57.07 3hox s LEU 135 Cb 0.03 -4.56 0.18 0.00 0.02 0.00 0.00 46.19 41.86 3hox s LEU 135 CO 0.22 -2.69 1.12 0.29 0.02 0.00 0.00 176.35 175.31 3hox n LYS 136 N -3.78 1.51 -0.91 1.70 4.01 -1.26 -4.92 118.16 114.51 3hox n LYS 136 Ca 0.11 -0.74 -0.31 0.00 -0.51 0.00 0.00 58.31 56.86 3hox n LYS 136 Cb 0.52 -1.20 0.14 0.00 -0.51 0.00 0.00 35.03 33.98 3hox n LYS 136 CO 0.00 0.00 0.00 1.14 -1.11 0.00 0.00 177.40 177.43 3hox s GLN 137 N -1.71 1.43 0.04 1.97 -2.07 -1.26 -4.70 119.66 113.35 3hox s GLN 137 Ca 0.14 1.49 -0.25 0.00 -1.82 0.00 0.00 55.36 54.92 3hox s GLN 137 Cb 0.07 -1.78 -0.17 0.00 -1.09 0.00 0.00 33.01 30.04 3hox s GLN 137 CO 0.09 -2.32 1.52 1.49 -1.32 0.00 0.00 175.29 174.75 3hox h GLU 138 N -1.52 -0.05 -4.82 9.60 4.22 -1.90 -3.31 114.58 116.79 3hox h GLU 138 Ca -0.44 0.00 -0.47 0.00 0.08 0.00 0.00 59.36 58.54 3hox h GLU 138 Cb 1.26 0.01 0.16 0.00 0.50 0.00 0.00 28.75 30.69 3hox h GLU 138 CO 0.45 0.18 -1.16 -1.71 -2.18 0.00 0.00 179.01 174.58 3hox n ASN 139 N -5.01 -3.73 0.00 1.04 2.85 -1.26 -3.97 115.26 105.18 3hox n ASN 139 Ca -0.08 0.37 0.00 0.00 -0.11 0.00 0.00 54.58 54.76 3hox n ASN 139 Cb 0.14 -0.65 0.00 0.00 1.24 0.00 0.00 39.78 40.51 3hox n ASN 139 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3hox n ALA 140 N -1.53 0.00 -2.60 5.20 0.00 -1.25 -4.68 120.51 115.65 3hox n ALA 140 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.09 3hox n ALA 140 Cb 0.41 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.80 3hox n ALA 140 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3hox s TYR 141 N 0.00 3.61 -0.02 0.00 1.51 -0.69 -3.04 117.35 118.73 3hox s TYR 141 Ca 0.00 1.04 -0.05 0.00 -1.01 0.00 0.00 57.07 57.05 3hox s TYR 141 Cb 0.00 -2.55 -0.04 0.00 -0.11 0.00 0.00 41.96 39.26 3hox s TYR 141 CO 0.00 0.31 0.22 -1.17 -1.11 0.00 0.00 175.55 173.80 3hox s LEU 142 N 0.06 4.37 0.02 -1.29 2.96 -0.75 -4.08 118.68 119.98 3hox s LEU 142 Ca 0.28 0.48 0.01 0.00 -0.22 0.00 0.00 54.13 54.68 3hox s LEU 142 Cb -0.17 -2.56 -0.02 0.00 0.50 0.00 0.00 46.19 43.95 3hox s LEU 142 CO 0.14 0.28 -0.05 -0.76 -1.32 0.00 0.00 176.35 174.64 3hox s LEU 143 N -1.70 2.17 -0.02 -0.68 1.02 -1.24 -0.86 118.68 117.36 3hox s LEU 143 Ca 0.25 -0.37 -0.01 0.00 0.02 0.00 0.00 54.13 54.03 3hox s LEU 143 Cb -0.13 -0.10 0.02 0.00 0.02 0.00 0.00 46.19 46.00 3hox s LEU 143 CO 0.15 -0.14 0.04 -0.63 0.02 0.00 0.00 176.35 175.79 3hox s ILE 144 N -0.95 -0.04 0.06 -0.59 1.01 -0.56 -2.20 121.20 117.94 3hox s ILE 144 Ca -0.07 0.13 0.03 0.00 0.00 0.00 0.00 60.65 60.74 3hox s ILE 144 Cb -0.07 -0.08 -0.03 0.00 0.01 0.00 0.00 42.46 42.29 3hox s ILE 144 CO -0.00 0.05 -0.09 0.00 0.00 0.00 0.00 174.94 174.90 3hox s ARG 145 N 0.69 0.65 0.00 2.79 1.70 -1.10 -1.20 118.95 122.47 3hox s ARG 145 Ca -0.06 -0.90 0.00 0.00 -0.47 0.00 0.00 55.73 54.30 3hox s ARG 145 Cb -0.08 -0.41 0.00 0.00 -0.57 0.00 0.00 34.95 33.89 3hox s ARG 145 CO -0.02 0.07 0.00 -2.13 -1.08 0.00 0.00 175.30 172.14