#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hox n SER 4 N 0.00 0.00 0.00 -1.34 7.64 -1.26 -5.12 113.62 113.54 3hox n SER 4 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3hox n SER 4 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 3hox n SER 4 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 3hox n THR 5 N -1.23 0.00 -0.69 0.44 5.66 -1.26 -5.18 114.28 112.01 3hox n THR 5 Ca 0.00 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.76 3hox n THR 5 Cb 0.00 0.00 0.21 0.00 -1.55 0.00 0.00 70.33 68.99 3hox n THR 5 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 3hox n SER 6 N 0.00 -2.48 -3.27 1.09 2.88 -1.26 -5.10 113.62 105.48 3hox n SER 6 Ca 0.00 -0.93 0.03 0.00 -1.33 0.00 0.00 58.87 56.65 3hox n SER 6 Cb 0.00 -0.80 -0.02 0.00 -0.75 0.00 0.00 64.21 62.64 3hox n SER 6 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 3hox s THR 7 N -2.35 -0.83 0.00 2.46 -1.32 -1.26 -5.07 115.64 107.27 3hox s THR 7 Ca 0.56 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.04 3hox s THR 7 Cb -0.07 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.92 3hox s THR 7 CO 0.44 0.00 0.00 2.22 -2.21 0.00 0.00 174.62 175.07 3hox n PHE 8 N 5.40 0.00 -3.78 9.09 1.16 -1.26 -4.40 117.46 123.67 3hox n PHE 8 Ca -0.05 0.00 -0.20 0.00 -1.87 0.00 0.00 57.45 55.33 3hox n PHE 8 Cb 0.51 0.00 -0.17 0.00 -1.61 0.00 0.00 39.48 38.21 3hox n PHE 8 CO 0.00 0.00 0.00 1.14 -1.87 0.00 0.00 176.76 176.03 3hox s GLN 9 N -0.12 0.29 -0.13 3.97 -2.07 -1.26 -4.78 119.66 115.56 3hox s GLN 9 Ca 0.00 0.19 -0.00 0.00 -1.82 0.00 0.00 55.36 53.73 3hox s GLN 9 Cb 0.00 -0.69 0.03 0.00 -1.09 0.00 0.00 33.01 31.26 3hox s GLN 9 CO 0.00 -0.27 -0.09 0.95 -1.32 0.00 0.00 175.29 174.56 3hox s THR 10 N 1.79 1.23 0.02 3.63 -4.23 -1.26 -5.10 115.64 111.72 3hox s THR 10 Ca 0.01 -0.47 -0.01 0.00 -1.18 0.00 0.00 61.69 60.04 3hox s THR 10 Cb -0.12 -1.24 -0.04 0.00 1.34 0.00 0.00 72.50 72.44 3hox s THR 10 CO -0.04 0.36 0.17 0.00 -0.54 0.00 0.00 174.62 174.57 3hox s ARG 11 N 1.62 3.35 0.24 3.99 1.04 -1.26 -5.07 118.95 122.86 3hox s ARG 11 Ca 0.04 -0.41 -0.30 0.00 -1.04 0.00 0.00 55.73 54.02 3hox s ARG 11 Cb -0.13 -3.02 -0.15 0.00 -2.04 0.00 0.00 34.95 29.61 3hox s ARG 11 CO -0.09 0.64 1.05 -2.13 -0.04 0.00 0.00 175.30 174.73 3hox n ARG 12 N 0.70 1.21 -2.68 3.89 0.63 -1.26 -4.93 116.66 114.23 3hox n ARG 12 Ca -0.09 0.43 -0.43 0.00 -0.92 0.00 0.00 57.85 56.83 3hox n ARG 12 Cb 0.52 -1.83 0.00 0.00 0.45 0.00 0.00 32.46 31.60 3hox n ARG 12 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 3hox n ARG 13 N 1.19 3.27 0.00 -0.14 -4.01 -1.26 -4.73 116.66 110.98 3hox n ARG 13 Ca 0.12 -3.50 0.01 0.00 -1.04 0.00 0.00 57.85 53.45 3hox n ARG 13 Cb 0.29 -3.27 0.06 0.00 -3.04 0.00 0.00 32.46 26.50 3hox n ARG 13 CO 0.00 0.00 0.00 0.54 -3.04 0.00 0.00 177.63 175.13 3hox n ARG 14 N 6.89 0.24 0.00 2.89 5.12 -1.26 -4.73 116.66 125.81 3hox n ARG 14 Ca 0.44 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.36 3hox n ARG 14 Cb 0.44 -1.14 0.00 0.00 -1.16 0.00 0.00 32.46 30.59 3hox n ARG 14 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 3hox n LEU 15 N -0.64 0.00 -2.89 0.55 7.94 -1.26 -4.78 117.00 115.91 3hox n LEU 15 Ca 0.02 0.00 -0.16 0.00 -1.11 0.00 0.00 56.01 54.76 3hox n LEU 15 Cb 0.01 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 43.92 3hox n LEU 15 CO 0.01 0.00 1.89 2.29 -1.11 0.00 0.00 177.39 180.47 3hox n LYS 16 N -0.28 1.64 0.00 1.96 2.85 -1.26 -4.74 118.16 118.33 3hox n LYS 16 Ca 0.00 -1.12 0.00 0.00 -1.05 0.00 0.00 58.31 56.14 3hox n LYS 16 Cb 0.00 -2.22 0.00 0.00 -0.65 0.00 0.00 35.03 32.16 3hox n LYS 16 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71 3hox n LYS 17 N 3.82 0.00 -4.50 -1.58 -0.00 -1.26 -4.63 118.16 110.01 3hox n LYS 17 Ca 0.35 0.00 -0.34 0.00 -0.00 0.00 0.00 58.31 58.32 3hox n LYS 17 Cb 0.22 -1.14 -0.12 0.00 -0.00 0.00 0.00 35.03 34.00 3hox n LYS 17 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 3hox s VAL 18 N -0.52 3.77 0.00 0.58 -7.23 -1.26 -4.82 120.40 110.92 3hox s VAL 18 Ca 0.00 -0.42 0.00 0.00 -1.81 0.00 0.00 61.98 59.75 3hox s VAL 18 Cb 0.00 -2.62 0.00 0.00 0.56 0.00 0.00 36.38 34.32 3hox s VAL 18 CO 0.00 0.52 0.00 1.21 -0.31 0.00 0.00 175.10 176.52 3hox n GLU 19 N 3.19 0.00 -0.75 4.82 4.07 -1.26 -5.13 120.64 125.58 3hox n GLU 19 Ca -0.18 0.00 -0.33 0.00 -0.06 0.00 0.00 57.16 56.59 3hox n GLU 19 Cb 0.53 0.00 -0.06 0.00 -0.06 0.00 0.00 31.44 31.84 3hox n GLU 19 CO 0.00 0.00 0.00 -0.85 -0.06 0.00 0.00 177.13 176.22 3hox n GLU 20 N 0.00 0.00 0.00 5.31 0.00 -1.26 -4.93 120.64 119.76 3hox n GLU 20 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 3hox n GLU 20 Cb 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 31.44 30.64 3hox n GLU 20 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3hox n GLU 21 N 3.50 1.31 -3.40 3.44 1.02 -1.26 -5.07 120.64 120.17 3hox n GLU 21 Ca 0.26 0.00 -0.19 0.00 -0.02 0.00 0.00 57.16 57.20 3hox n GLU 21 Cb -0.02 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.38 3hox n GLU 21 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 3hox s GLU 22 N 0.00 2.67 -0.21 3.49 4.04 -1.26 -5.10 118.70 122.33 3hox s GLU 22 Ca 0.00 -1.40 -0.04 0.00 0.04 0.00 0.00 54.97 53.57 3hox s GLU 22 Cb 0.00 -2.53 -0.02 0.00 0.02 0.00 0.00 34.13 31.61 3hox s GLU 22 CO 0.00 -0.18 -0.02 -0.80 -1.84 0.00 0.00 175.26 172.41 3hox s ASN 23 N -4.19 4.54 0.10 0.83 -0.87 -1.26 -4.88 114.94 109.21 3hox s ASN 23 Ca 0.50 -0.31 0.01 0.00 -1.57 0.00 0.00 52.86 51.49 3hox s ASN 23 Cb -0.06 -1.78 -0.04 0.00 -0.02 0.00 0.00 41.25 39.35 3hox s ASN 23 CO 0.30 0.02 -0.05 0.00 -2.57 0.00 0.00 177.10 174.79 3hox s ALA 24 N 1.27 0.95 -1.42 0.60 0.00 -1.07 -5.00 121.76 117.10 3hox s ALA 24 Ca 0.03 -1.36 -0.09 0.00 0.00 0.00 0.00 51.96 50.54 3hox s ALA 24 Cb -0.14 0.24 -0.07 0.00 0.00 0.00 0.00 23.12 23.14 3hox s ALA 24 CO -0.00 -0.27 2.69 0.00 0.00 0.00 0.00 175.76 178.17 3hox n ALA 25 N -0.05 6.65 -1.03 0.00 0.00 -1.26 -1.84 120.51 122.99 3hox n ALA 25 Ca -0.11 -3.13 0.05 0.00 0.00 0.00 0.00 53.44 50.25 3hox n ALA 25 Cb 0.61 -3.29 0.07 0.00 0.00 0.00 0.00 19.45 16.85 3hox n ALA 25 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3hox n THR 26 N 3.86 1.18 -3.79 0.00 -2.24 -1.26 -4.23 114.28 107.80 3hox n THR 26 Ca 0.68 -1.38 -0.27 0.00 -2.27 0.00 0.00 64.05 60.81 3hox n THR 26 Cb 0.21 0.16 0.04 0.00 -2.10 0.00 0.00 70.33 68.64 3hox n THR 26 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3hox n LEU 27 N -0.85 -2.90 -4.03 3.22 4.77 -0.77 -4.95 117.00 111.50 3hox n LEU 27 Ca 0.08 -0.73 -0.33 0.00 -0.03 0.00 0.00 56.01 55.00 3hox n LEU 27 Cb 0.56 -2.70 -0.10 0.00 -2.33 0.00 0.00 43.42 38.84 3hox n LEU 27 CO 0.01 0.49 0.04 -1.10 -1.33 0.00 0.00 177.39 175.50 3hox s GLN 28 N -6.39 2.56 0.58 3.23 -0.21 -0.81 -5.02 119.66 113.61 3hox s GLN 28 Ca 0.50 -2.87 -0.01 0.00 0.02 0.00 0.00 55.36 53.00 3hox s GLN 28 Cb -0.24 -3.63 0.04 0.00 1.00 0.00 0.00 33.01 30.18 3hox s GLN 28 CO 0.80 -1.20 0.83 -0.51 -2.12 0.00 0.00 175.29 173.09 3hox s LEU 29 N -0.66 3.19 0.00 2.90 2.01 -1.26 -2.59 118.68 122.26 3hox s LEU 29 Ca 0.21 0.13 -0.06 0.00 0.01 0.00 0.00 54.13 54.42 3hox s LEU 29 Cb -0.16 -2.96 0.10 0.00 0.01 0.00 0.00 46.19 43.18 3hox s LEU 29 CO -0.07 -1.22 0.22 0.61 1.01 0.00 0.00 176.35 176.90 3hox n GLY 30 N -2.47 -1.01 0.23 -3.19 0.00 -1.26 -4.70 105.19 92.79 3hox n GLY 30 Ca 0.07 -0.33 -0.07 0.00 0.00 0.00 0.00 46.02 45.70 3hox n GLY 30 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3hox h GLN 31 N 0.00 0.56 -0.32 1.61 4.20 -2.00 -2.61 115.11 116.55 3hox h GLN 31 Ca -0.10 -0.29 0.00 0.00 0.06 0.00 0.00 58.65 58.32 3hox h GLN 31 Cb 0.33 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.12 3hox h GLN 31 CO 0.06 0.87 0.00 -1.91 -0.67 0.00 0.00 178.83 177.18 3hox n GLU 32 N -4.02 0.51 -2.82 1.46 4.07 -1.26 -3.91 120.64 114.66 3hox n GLU 32 Ca -0.02 0.00 -0.11 0.00 -0.06 0.00 0.00 57.16 56.98 3hox n GLU 32 Cb 0.52 -1.16 0.06 0.00 -0.06 0.00 0.00 31.44 30.81 3hox n GLU 32 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 3hox n PHE 33 N -0.04 -1.70 -3.40 4.31 3.01 -0.98 -5.13 117.46 113.53 3hox n PHE 33 Ca 0.00 -2.53 -0.19 0.00 1.01 0.00 0.00 57.45 55.75 3hox n PHE 33 Cb 0.08 0.97 -0.01 0.00 -0.01 0.00 0.00 39.48 40.51 3hox n PHE 33 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 3hox s GLN 34 N -0.69 2.89 0.06 -1.08 1.11 -1.25 -4.56 119.66 116.13 3hox s GLN 34 Ca 0.26 -1.20 -0.24 0.00 0.01 0.00 0.00 55.36 54.20 3hox s GLN 34 Cb 0.34 -2.69 -0.16 0.00 -1.01 0.00 0.00 33.01 29.49 3hox s GLN 34 CO -0.06 -0.07 1.61 -0.07 0.01 0.00 0.00 175.29 176.71 3hox h LEU 35 N 0.89 -0.02 -8.84 2.90 4.07 -1.96 -3.37 115.31 108.97 3hox h LEU 35 Ca -0.43 -0.13 -0.57 0.00 0.08 0.00 0.00 57.88 56.83 3hox h LEU 35 Cb 1.26 0.01 -0.05 0.00 1.08 0.00 0.00 40.66 42.96 3hox h LEU 35 CO 0.52 0.11 1.06 -0.54 -1.08 0.00 0.00 178.44 178.51 3hox s LYS 36 N -5.67 3.64 -0.22 1.13 1.02 -1.26 -1.48 119.74 116.91 3hox s LYS 36 Ca -0.14 1.06 -0.20 0.00 0.02 0.00 0.00 55.97 56.71 3hox s LYS 36 Cb 0.05 -4.00 0.06 0.00 -0.52 0.00 0.00 37.83 33.41 3hox s LYS 36 CO 0.66 -1.48 0.59 1.14 -0.92 0.00 0.00 175.35 175.34 3hox s GLN 37 N 4.80 0.68 0.39 1.68 -2.07 -1.04 -5.00 119.66 119.10 3hox s GLN 37 Ca 0.62 0.84 -0.27 0.00 -1.82 0.00 0.00 55.36 54.73 3hox s GLN 37 Cb -0.15 0.31 -0.09 0.00 -1.09 0.00 0.00 33.01 31.99 3hox s GLN 37 CO 0.31 -0.09 1.31 0.42 -1.32 0.00 0.00 175.29 175.92 3hox s ILE 38 N 0.42 2.62 0.54 3.63 1.01 -1.26 -1.27 121.20 126.88 3hox s ILE 38 Ca -0.01 0.57 0.02 0.00 0.00 0.00 0.00 60.65 61.23 3hox s ILE 38 Cb -0.04 -3.34 0.03 0.00 0.01 0.00 0.00 42.46 39.12 3hox s ILE 38 CO -0.01 0.10 0.76 0.21 0.00 0.00 0.00 174.94 176.00 3hox s ASN 39 N -0.66 5.29 0.00 3.58 2.47 0.07 -4.82 114.94 120.87 3hox s ASN 39 Ca 0.55 -0.09 0.17 0.00 0.42 0.00 0.00 52.86 53.91 3hox s ASN 39 Cb -0.39 -0.80 0.99 0.00 -1.45 0.00 0.00 41.25 39.60 3hox s ASN 39 CO 0.50 -1.12 1.46 1.41 -3.72 0.00 0.00 177.10 175.63 3hox n HIS 40 N -2.29 0.00 -1.10 0.43 8.25 -1.26 0.68 115.22 119.92 3hox n HIS 40 Ca 0.08 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.61 3hox n HIS 40 Cb 0.60 0.00 0.22 0.00 1.12 0.00 0.00 29.99 31.93 3hox n HIS 40 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3hox n GLN 41 N -0.86 2.35 -0.98 -0.41 3.00 -1.26 -4.94 117.38 114.29 3hox n GLN 41 Ca 0.12 -2.86 -0.06 0.00 -0.01 0.00 0.00 57.00 54.20 3hox n GLN 41 Cb 0.06 -1.76 -0.03 0.00 0.00 0.00 0.00 30.24 28.51 3hox n GLN 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3hox n GLY 42 N -0.83 0.60 3.88 1.08 0.00 0.21 -4.92 105.19 105.21 3hox n GLY 42 Ca 0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.88 3hox n GLY 42 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3hox s GLU 43 N -2.13 3.48 0.15 1.61 -1.05 -1.25 -4.62 118.70 114.88 3hox s GLU 43 Ca 0.00 -0.11 -0.32 0.00 -0.15 0.00 0.00 54.97 54.39 3hox s GLU 43 Cb 0.00 -3.18 -0.11 0.00 -0.44 0.00 0.00 34.13 30.40 3hox s GLU 43 CO 0.00 0.76 1.78 0.39 0.95 0.00 0.00 175.26 179.14 3hox n GLU 44 N 1.84 2.72 -3.91 -4.83 1.02 -1.26 -0.75 120.64 115.47 3hox n GLU 44 Ca -0.18 0.99 -0.12 0.00 -0.02 0.00 0.00 57.16 57.83 3hox n GLU 44 Cb 0.54 -2.86 -0.14 0.00 -0.02 0.00 0.00 31.44 28.97 3hox n GLU 44 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 3hox s GLU 45 N 2.11 0.08 0.58 3.49 2.12 -0.40 -4.90 118.70 121.79 3hox s GLU 45 Ca 0.80 -0.12 -0.16 0.00 0.36 0.00 0.00 54.97 55.85 3hox s GLU 45 Cb -0.51 -0.01 -0.04 0.00 0.26 0.00 0.00 34.13 33.83 3hox s GLU 45 CO 0.36 -0.00 1.06 -2.00 -0.54 0.00 0.00 175.26 174.14 3hox s GLU 46 N -0.26 3.34 0.39 4.30 2.12 -1.25 -2.51 118.70 124.84 3hox s GLU 46 Ca -0.03 1.25 -0.24 0.00 0.36 0.00 0.00 54.97 56.32 3hox s GLU 46 Cb -0.02 -2.03 -0.12 0.00 0.26 0.00 0.00 34.13 32.22 3hox s GLU 46 CO -0.00 -0.80 0.84 -0.11 -0.54 0.00 0.00 175.26 174.66 3hox n LEU 47 N -1.89 1.48 -4.11 2.70 -0.00 -0.55 -4.94 117.00 109.70 3hox n LEU 47 Ca 0.09 1.02 -0.37 0.00 -0.00 0.00 0.00 56.01 56.75 3hox n LEU 47 Cb 0.53 -1.25 -0.10 0.00 -0.00 0.00 0.00 43.42 42.60 3hox n LEU 47 CO 0.46 -1.98 0.00 -0.63 -0.00 0.00 0.00 177.39 175.24 3hox s ILE 48 N -1.29 3.69 -0.17 1.96 -1.09 -1.26 -4.91 121.20 118.12 3hox s ILE 48 Ca 0.63 -2.71 -0.14 0.00 -2.23 0.00 0.00 60.65 56.19 3hox s ILE 48 Cb -0.61 -3.43 -0.04 0.00 -1.58 0.00 0.00 42.46 36.80 3hox s ILE 48 CO 0.58 -0.84 0.33 0.00 -1.23 0.00 0.00 174.94 173.77 3hox s ALA 49 N 0.25 3.57 -0.07 9.38 0.00 -1.26 -5.07 121.76 128.56 3hox s ALA 49 Ca 0.15 -0.48 -0.02 0.00 0.00 0.00 0.00 51.96 51.60 3hox s ALA 49 Cb -0.21 -2.47 -0.04 0.00 0.00 0.00 0.00 23.12 20.41 3hox s ALA 49 CO -0.04 -0.04 0.03 -0.51 0.00 0.00 0.00 175.76 175.21 3hox s LEU 50 N 0.74 3.74 0.11 0.00 1.43 -1.26 -4.78 118.68 118.67 3hox s LEU 50 Ca 0.17 0.18 -0.06 0.00 -1.03 0.00 0.00 54.13 53.40 3hox s LEU 50 Cb -0.14 -1.94 -0.05 0.00 0.03 0.00 0.00 46.19 44.09 3hox s LEU 50 CO 0.05 0.36 0.36 0.54 0.23 0.00 0.00 176.35 177.89 3hox s ASN 51 N -1.08 6.51 0.68 2.29 2.20 -1.26 -4.90 114.94 119.38 3hox s ASN 51 Ca 0.15 0.61 -0.08 0.00 -0.94 0.00 0.00 52.86 52.60 3hox s ASN 51 Cb -0.12 -2.10 -0.02 0.00 -2.00 0.00 0.00 41.25 37.02 3hox s ASN 51 CO 0.05 0.10 -0.29 0.18 -2.94 0.00 0.00 177.10 174.19 3hox n LEU 52 N 0.35 -2.13 0.00 3.54 4.77 -1.26 -2.15 117.00 120.12 3hox n LEU 52 Ca -0.04 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 3hox n LEU 52 Cb 0.52 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 3hox n LEU 52 CO 0.47 -2.28 0.00 -0.24 -1.33 0.00 0.00 177.39 174.01 3hox n SER 53 N 2.52 0.00 -0.14 -1.43 2.88 -1.26 -3.65 113.62 112.54 3hox n SER 53 Ca 0.00 0.00 0.26 0.00 -1.33 0.00 0.00 58.87 57.80 3hox n SER 53 Cb 0.21 0.00 0.70 0.00 -0.75 0.00 0.00 64.21 64.37 3hox n SER 53 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 3hox h GLU 54 N 0.00 0.03 0.06 -1.46 4.81 -1.72 0.72 114.58 117.02 3hox h GLU 54 Ca 0.00 -0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.09 3hox h GLU 54 Cb 0.00 -0.01 0.01 0.00 0.63 0.00 0.00 28.75 29.39 3hox h GLU 54 CO 0.00 0.02 -0.57 0.00 -0.73 0.00 0.00 179.01 177.73 3hox h ALA 55 N 1.60 -0.01 -0.96 2.92 0.00 -1.50 -2.46 119.26 118.84 3hox h ALA 55 Ca 0.39 -0.60 0.15 0.00 0.00 0.00 0.00 54.91 54.85 3hox h ALA 55 Cb 1.50 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 19.26 3hox h ALA 55 CO -0.02 0.28 0.61 -0.09 0.00 0.00 0.00 179.25 180.03 3hox h ARG 56 N -0.39 0.78 0.24 0.00 2.43 -0.18 0.77 114.38 118.04 3hox h ARG 56 Ca -0.09 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.02 3hox h ARG 56 Cb 1.37 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 3hox h ARG 56 CO 0.11 0.52 -0.12 -0.07 -1.51 0.00 0.00 179.97 178.90 3hox h LEU 57 N 0.81 -0.27 0.08 3.80 3.38 0.12 -0.68 115.31 122.55 3hox h LEU 57 Ca 0.50 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 58.31 3hox h LEU 57 Cb 0.70 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.48 3hox h LEU 57 CO -0.27 0.04 -0.33 0.58 0.09 0.00 0.00 178.44 178.55 3hox h VAL 58 N -0.61 0.29 0.03 1.22 2.07 -0.81 0.26 116.25 118.69 3hox h VAL 58 Ca -0.03 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.49 3hox h VAL 58 Cb 0.44 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 3hox h VAL 58 CO 0.05 0.00 -0.20 0.40 0.02 0.00 0.00 177.57 177.84 3hox h ILE 59 N -0.54 0.00 -0.82 4.57 2.04 -0.91 -1.76 117.51 120.09 3hox h ILE 59 Ca 0.04 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.06 3hox h ILE 59 Cb 0.59 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.51 3hox h ILE 59 CO -0.22 0.00 -0.22 0.50 0.00 0.00 0.00 178.15 178.21 3hox h LYS 60 N -0.27 -0.01 -0.57 2.37 3.64 -0.90 0.15 116.57 120.98 3hox h LYS 60 Ca 0.00 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.45 3hox h LYS 60 Cb 0.28 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.04 3hox h LYS 60 CO -0.12 -0.01 0.26 1.49 -2.27 0.00 0.00 179.45 178.81 3hox h GLU 61 N -0.01 0.47 0.21 1.90 4.81 -0.14 -1.73 114.58 120.10 3hox h GLU 61 Ca 0.38 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.57 3hox h GLU 61 Cb 0.60 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.88 3hox h GLU 61 CO -0.85 0.31 -0.10 0.00 -0.73 0.00 0.00 179.01 177.64 3hox h ALA 62 N 1.34 -0.28 -0.36 2.92 0.00 0.11 -1.74 119.26 121.24 3hox h ALA 62 Ca 0.27 -0.10 0.11 0.00 0.00 0.00 0.00 54.91 55.18 3hox h ALA 62 Cb 0.25 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3hox h ALA 62 CO -0.22 -0.61 0.43 -0.07 0.00 0.00 0.00 179.25 178.78 3hox h LEU 63 N -0.39 0.00 0.00 0.00 3.38 -0.78 -0.64 115.31 116.88 3hox h LEU 63 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3hox h LEU 63 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3hox h LEU 63 CO 0.05 0.00 0.00 0.52 0.09 0.00 0.00 178.44 179.10 3hox n VAL 64 N -3.64 0.00 0.00 1.22 0.31 -0.68 -2.41 118.33 113.12 3hox n VAL 64 Ca 0.06 0.55 0.00 0.00 -0.01 0.00 0.00 64.34 64.94 3hox n VAL 64 Cb 0.59 -1.39 0.00 0.00 -0.91 0.00 0.00 33.84 32.13 3hox n VAL 64 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3hox n GLU 65 N -1.72 0.00 -0.07 5.55 1.02 -0.71 0.03 120.64 124.73 3hox n GLU 65 Ca 0.00 0.24 -0.09 0.00 -0.02 0.00 0.00 57.16 57.29 3hox n GLU 65 Cb 0.00 -1.66 -0.06 0.00 -0.02 0.00 0.00 31.44 29.70 3hox n GLU 65 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 3hox h ARG 66 N 0.00 0.00 0.00 3.49 2.43 -1.19 -3.18 114.38 115.93 3hox h ARG 66 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3hox h ARG 66 Cb 0.33 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 3hox h ARG 66 CO 0.00 0.43 0.34 -0.09 -1.51 0.00 0.00 179.97 179.14 3hox h ARG 67 N -1.00 0.00 0.56 0.20 1.12 -0.04 0.32 114.38 115.54 3hox h ARG 67 Ca -0.08 0.00 -0.03 0.00 -1.11 0.00 0.00 59.98 58.76 3hox h ARG 67 Cb 0.66 0.00 0.01 0.00 -0.01 0.00 0.00 29.97 30.63 3hox h ARG 67 CO -0.05 0.00 -0.27 -0.09 -3.11 0.00 0.00 179.97 176.45 3hox h ARG 68 N 0.00 -0.73 0.00 0.20 2.43 -1.25 -3.16 114.38 111.87 3hox h ARG 68 Ca 0.00 0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 3hox h ARG 68 Cb 0.67 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.39 3hox h ARG 68 CO 0.00 -0.49 0.00 0.00 -1.51 0.00 0.00 179.97 177.97 3hox h ALA 69 N -1.40 1.00 0.00 2.80 0.00 -1.23 -1.95 119.26 118.48 3hox h ALA 69 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3hox h ALA 69 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3hox h ALA 69 CO 0.13 0.00 0.00 1.19 0.00 0.00 0.00 179.25 180.57 3hox n PHE 70 N -2.43 0.00 -0.30 0.00 3.01 -0.01 -2.47 117.46 115.26 3hox n PHE 70 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.49 3hox n PHE 70 Cb 0.31 -0.02 0.00 0.00 -0.01 0.00 0.00 39.48 39.76 3hox n PHE 70 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 3hox n LYS 71 N -0.30 0.99 0.14 -1.08 5.02 -0.78 -4.51 118.16 117.64 3hox n LYS 71 Ca 0.00 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3hox n LYS 71 Cb 0.05 -0.08 0.18 0.00 -0.02 0.00 0.00 35.03 35.16 3hox n LYS 71 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hox h ARG 72 N 0.00 0.00 -0.55 1.97 3.08 -1.12 -2.38 114.38 115.39 3hox h ARG 72 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3hox h ARG 72 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3hox h ARG 72 CO 0.00 0.59 0.00 -1.13 -1.07 0.00 0.00 179.97 178.36 3hox n SER 73 N -3.71 4.06 -0.01 7.04 3.41 -1.14 -4.21 113.62 119.06 3hox n SER 73 Ca -0.01 -2.31 -0.10 0.00 -0.26 0.00 0.00 58.87 56.19 3hox n SER 73 Cb 0.62 -0.47 -0.14 0.00 -0.26 0.00 0.00 64.21 63.96 3hox n SER 73 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3hox h GLN 74 N 3.38 0.04 -0.55 4.33 1.08 -1.65 -3.38 115.11 118.36 3hox h GLN 74 Ca 0.00 -0.07 0.10 0.00 -1.45 0.00 0.00 58.65 57.23 3hox h GLN 74 Cb 1.18 0.03 -0.08 0.00 -0.05 0.00 0.00 27.48 28.56 3hox h GLN 74 CO 0.13 0.62 0.06 0.87 -0.95 0.00 0.00 178.83 179.56 3hox h LYS 75 N 0.01 0.17 0.00 1.46 1.57 -1.72 -3.50 116.57 114.56 3hox h LYS 75 Ca -0.29 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.48 3hox h LYS 75 Cb 2.01 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 34.28 3hox h LYS 75 CO 0.08 0.11 -0.00 1.17 -0.57 0.00 0.00 179.45 180.25 3hox n LYS 76 N -5.19 0.00 -3.19 3.15 4.81 -1.26 -5.20 118.16 111.29 3hox n LYS 76 Ca 0.07 -0.01 -0.14 0.00 -0.87 0.00 0.00 58.31 57.36 3hox n LYS 76 Cb 0.30 0.04 0.07 0.00 0.02 0.00 0.00 35.03 35.46 3hox n LYS 76 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 3hox n THR 118 N 0.00 -6.13 0.00 3.15 -1.04 -1.26 -4.94 114.28 104.06 3hox n THR 118 Ca -0.00 -0.66 0.00 0.00 -2.04 0.00 0.00 64.05 61.35 3hox n THR 118 Cb 0.06 -5.11 0.00 0.00 -1.82 0.00 0.00 70.33 63.46 3hox n THR 118 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 3hox n ARG 119 N -3.53 0.00 0.31 -2.82 0.63 -1.26 0.14 116.66 110.13 3hox n ARG 119 Ca -0.20 0.00 0.19 0.00 -0.92 0.00 0.00 57.85 56.93 3hox n ARG 119 Cb 0.64 0.00 1.01 0.00 0.45 0.00 0.00 32.46 34.56 3hox n ARG 119 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 3hox h GLU 120 N 0.00 0.00 0.19 -0.14 4.81 -2.01 -1.17 114.58 116.26 3hox h GLU 120 Ca 0.00 0.00 -0.25 0.00 -0.13 0.00 0.00 59.36 58.98 3hox h GLU 120 Cb 0.00 0.00 0.03 0.00 0.63 0.00 0.00 28.75 29.41 3hox h GLU 120 CO 0.00 0.02 -1.09 0.87 -0.73 0.00 0.00 179.01 178.07 3hox h LYS 121 N 0.00 0.40 -0.39 1.92 1.57 0.74 -3.19 116.57 117.63 3hox h LYS 121 Ca -0.00 -0.69 0.11 0.00 -1.87 0.00 0.00 60.65 58.20 3hox h LYS 121 Cb 0.14 0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.69 3hox h LYS 121 CO 0.00 1.33 0.30 1.49 -0.57 0.00 0.00 179.45 182.00 3hox h GLU 122 N -0.16 0.00 -0.08 3.15 4.81 -1.36 -1.11 114.58 119.84 3hox h GLU 122 Ca -0.19 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.06 3hox h GLU 122 Cb 1.86 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 31.21 3hox h GLU 122 CO 0.20 0.00 -0.29 -0.07 -0.73 0.00 0.00 179.01 178.12 3hox h LEU 123 N 0.00 -0.94 -1.18 1.64 -0.00 -1.32 0.18 115.31 113.69 3hox h LEU 123 Ca 0.18 0.11 -0.06 0.00 -0.00 0.00 0.00 57.88 58.12 3hox h LEU 123 Cb 0.79 0.37 -0.01 0.00 -0.00 0.00 0.00 40.66 41.81 3hox h LEU 123 CO -0.00 -0.26 -0.28 1.05 -0.00 0.00 0.00 178.44 178.95 3hox h GLU 124 N -0.31 0.00 -0.87 1.13 4.11 -1.61 -0.70 114.58 116.33 3hox h GLU 124 Ca 0.02 0.00 0.06 0.00 0.07 0.00 0.00 59.36 59.51 3hox h GLU 124 Cb 0.37 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.56 3hox h GLU 124 CO -0.24 0.28 0.57 1.03 0.07 0.00 0.00 179.01 180.71 3hox h SER 125 N 0.00 0.86 0.07 3.06 0.87 0.03 -1.31 113.55 117.13 3hox h SER 125 Ca -0.00 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.35 3hox h SER 125 Cb 0.73 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.50 3hox h SER 125 CO 0.04 0.56 -1.06 0.40 -0.53 0.00 0.00 176.83 176.23 3hox h ILE 126 N 0.99 1.19 -1.07 2.23 2.04 -0.36 -3.13 117.51 119.40 3hox h ILE 126 Ca 0.37 -2.35 0.31 0.00 1.00 0.00 0.00 64.86 64.19 3hox h ILE 126 Cb 0.19 2.77 -0.04 0.00 -0.74 0.00 0.00 36.82 39.00 3hox h ILE 126 CO -0.13 0.60 1.14 0.44 0.00 0.00 0.00 178.15 180.20 3hox h ASP 127 N -0.59 0.00 0.00 1.72 3.45 -0.70 0.60 116.42 120.89 3hox h ASP 127 Ca -0.24 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.22 3hox h ASP 127 Cb 1.51 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.28 3hox h ASP 127 CO -0.00 0.00 -0.05 0.58 -1.57 0.00 0.00 179.24 178.20 3hox h VAL 128 N 0.00 0.00 -0.02 -1.35 2.07 -1.33 -3.20 116.25 112.42 3hox h VAL 128 Ca 0.51 -0.29 0.01 0.00 0.82 0.00 0.00 66.70 67.74 3hox h VAL 128 Cb 2.79 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 32.56 3hox h VAL 128 CO -0.01 0.00 0.82 0.25 0.02 0.00 0.00 177.57 178.66 3hox h LEU 129 N -0.29 0.00 0.10 2.57 5.85 -0.38 0.39 115.31 123.55 3hox h LEU 129 Ca 0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 3hox h LEU 129 Cb 0.05 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.08 3hox h LEU 129 CO 0.00 0.00 -0.05 -0.07 -0.34 0.00 0.00 178.44 177.98 3hox h LEU 130 N 0.00 -0.11 -3.08 2.25 3.38 -0.13 -2.92 115.31 114.70 3hox h LEU 130 Ca 0.01 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.74 3hox h LEU 130 Cb 1.65 0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.43 3hox h LEU 130 CO -0.00 0.48 0.00 -0.62 0.09 0.00 0.00 178.44 178.39 3hox n GLU 131 N -4.84 0.66 0.00 1.13 1.02 0.14 -1.16 120.64 117.59 3hox n GLU 131 Ca -0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 3hox n GLU 131 Cb 0.17 -1.17 0.00 0.00 -0.02 0.00 0.00 31.44 30.42 3hox n GLU 131 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3hox n GLN 132 N 1.47 0.00 -0.00 3.49 6.02 -1.18 -4.94 117.38 122.24 3hox n GLN 132 Ca 0.00 0.00 0.03 0.00 -0.01 0.00 0.00 57.00 57.02 3hox n GLN 132 Cb 0.33 -0.14 -0.05 0.00 1.02 0.00 0.00 30.24 31.40 3hox n GLN 132 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3hox n THR 133 N -2.36 0.00 -2.61 5.09 -2.24 -1.09 -4.94 114.28 106.13 3hox n THR 133 Ca 0.00 -0.24 -0.29 0.00 -2.27 0.00 0.00 64.05 61.25 3hox n THR 133 Cb 0.05 0.62 -0.01 0.00 -2.10 0.00 0.00 70.33 68.88 3hox n THR 133 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3hox s THR 134 N -2.13 4.82 -2.00 4.28 2.01 -0.31 -4.96 115.64 117.35 3hox s THR 134 Ca -0.00 0.50 0.18 0.00 0.31 0.00 0.00 61.69 62.67 3hox s THR 134 Cb 0.05 -3.81 0.51 0.00 0.01 0.00 0.00 72.50 69.26 3hox s THR 134 CO 0.29 -0.75 1.48 0.61 -0.69 0.00 0.00 174.62 175.55 3hox n GLY 135 N -1.91 -0.60 4.75 4.40 0.00 -1.26 -4.83 105.19 105.74 3hox n GLY 135 Ca 0.02 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3hox n GLY 135 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hox n GLY 136 N 0.19 0.60 0.71 -0.02 0.00 -1.26 -4.41 105.19 100.99 3hox n GLY 136 Ca 0.14 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.23 3hox n GLY 136 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3hox n ASN 137 N 0.00 2.64 -2.18 1.61 6.94 -1.26 -4.65 115.26 118.36 3hox n ASN 137 Ca 0.00 -1.77 -0.11 0.00 -0.02 0.00 0.00 54.58 52.68 3hox n ASN 137 Cb 0.00 -0.12 -0.13 0.00 -2.36 0.00 0.00 39.78 37.18 3hox n ASN 137 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 3hox n ASN 138 N 0.88 4.35 -0.26 0.53 2.85 -1.26 -4.63 115.26 117.71 3hox n ASN 138 Ca 0.11 -2.29 0.26 0.00 -0.11 0.00 0.00 54.58 52.55 3hox n ASN 138 Cb 0.42 -1.14 0.47 0.00 1.24 0.00 0.00 39.78 40.77 3hox n ASN 138 CO 0.00 0.00 0.00 2.29 -2.11 0.00 0.00 177.26 177.44 3hox n LYS 139 N 2.68 -0.05 0.17 1.20 -0.00 -1.26 0.02 118.16 120.93 3hox n LYS 139 Ca 0.36 1.07 -0.07 0.00 -0.00 0.00 0.00 58.31 59.67 3hox n LYS 139 Cb 0.70 -1.94 -0.04 0.00 -0.00 0.00 0.00 35.03 33.75 3hox n LYS 139 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 3hox h ASP 140 N 0.00 -0.41 -1.50 -5.58 3.32 -1.97 -1.45 116.42 108.83 3hox h ASP 140 Ca 0.67 0.01 0.44 0.00 0.02 0.00 0.00 57.03 58.17 3hox h ASP 140 Cb 1.81 0.11 -0.06 0.00 0.22 0.00 0.00 39.33 41.40 3hox h ASP 140 CO -0.58 -0.08 1.08 0.25 -1.72 0.00 0.00 179.24 178.19 3hox h LEU 141 N -0.92 0.01 0.05 1.55 5.85 -0.79 1.61 115.31 122.67 3hox h LEU 141 Ca -0.05 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.55 3hox h LEU 141 Cb 0.37 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.40 3hox h LEU 141 CO 0.08 -0.00 -0.64 0.11 -0.34 0.00 0.00 178.44 177.65 3hox h LYS 142 N 0.01 0.10 -0.10 1.25 1.57 -1.38 -2.48 116.57 115.55 3hox h LYS 142 Ca 0.72 -0.18 0.03 0.00 -1.87 0.00 0.00 60.65 59.35 3hox h LYS 142 Cb 2.86 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 35.24 3hox h LYS 142 CO -0.02 1.08 0.11 -0.91 -0.57 0.00 0.00 179.45 179.15 3hox h ASN 143 N -0.75 0.00 0.70 0.86 2.35 0.19 -0.25 115.58 118.68 3hox h ASN 143 Ca -0.14 0.00 -0.26 0.00 -0.55 0.00 0.00 56.30 55.35 3hox h ASN 143 Cb 1.32 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.65 3hox h ASN 143 CO 0.00 0.00 -1.38 0.74 -1.65 0.00 0.00 177.43 175.15 3hox h THR 144 N 0.00 1.27 -0.06 2.81 2.02 0.18 -2.54 112.91 116.59 3hox h THR 144 Ca 0.05 -3.03 -0.11 0.00 0.77 0.00 0.00 66.41 64.09 3hox h THR 144 Cb 0.27 2.66 -0.01 0.00 -1.74 0.00 0.00 68.15 69.33 3hox h THR 144 CO -0.00 0.75 -0.45 0.24 0.37 0.00 0.00 175.52 176.44 3hox h MET 145 N 0.01 0.15 0.06 6.66 2.86 -0.60 0.27 114.93 124.34 3hox h MET 145 Ca -0.16 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.40 3hox h MET 145 Cb 1.91 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.57 3hox h MET 145 CO 0.11 0.57 -0.03 1.96 1.06 0.00 0.00 176.91 180.58 3hox h GLN 146 N 0.12 -0.08 0.00 1.72 4.20 -1.33 0.33 115.11 120.08 3hox h GLN 146 Ca 0.01 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.72 3hox h GLN 146 Cb 0.84 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.64 3hox h GLN 146 CO 0.06 0.50 0.00 0.98 -0.67 0.00 0.00 178.83 179.71 3hox n TYR 147 N -4.82 0.00 -0.29 2.96 9.36 -0.96 -0.37 117.16 123.04 3hox n TYR 147 Ca -0.08 0.00 -0.04 0.00 3.32 0.00 0.00 57.90 61.10 3hox n TYR 147 Cb 0.31 -0.19 -0.01 0.00 -0.63 0.00 0.00 39.34 38.82 3hox n TYR 147 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 3hox n LEU 148 N -1.33 -0.59 -0.32 2.98 4.77 0.94 0.45 117.00 123.90 3hox n LEU 148 Ca 0.00 1.28 0.05 0.00 -0.03 0.00 0.00 56.01 57.31 3hox n LEU 148 Cb 0.00 -0.24 0.24 0.00 -2.33 0.00 0.00 43.42 41.09 3hox n LEU 148 CO 0.00 -1.11 1.25 0.00 -1.33 0.00 0.00 177.39 176.20 3hox h THR 149 N 0.00 1.03 -0.02 -5.08 1.03 -0.04 -1.63 112.91 108.19 3hox h THR 149 Ca 0.20 -0.35 -0.05 0.00 -0.01 0.00 0.00 66.41 66.20 3hox h THR 149 Cb 0.38 -0.08 0.00 0.00 -1.07 0.00 0.00 68.15 67.38 3hox h THR 149 CO -0.71 0.19 -0.18 0.78 -0.01 0.00 0.00 175.52 175.59 3hox h ASN 150 N 1.02 0.19 -0.47 0.00 2.35 0.29 -3.32 115.58 115.65 3hox h ASN 150 Ca 0.42 -0.70 -0.07 0.00 -0.55 0.00 0.00 56.30 55.39 3hox h ASN 150 Cb 0.28 -0.06 -0.04 0.00 0.05 0.00 0.00 38.32 38.55 3hox h ASN 150 CO -0.17 0.87 0.09 0.49 -1.65 0.00 0.00 177.43 177.06 3hox n PHE 151 N -4.57 1.62 -2.68 1.19 3.01 -0.46 -4.95 117.46 110.63 3hox n PHE 151 Ca -0.09 -0.70 -0.41 0.00 1.01 0.00 0.00 57.45 57.26 3hox n PHE 151 Cb 0.44 -0.46 -0.04 0.00 -0.01 0.00 0.00 39.48 39.40 3hox n PHE 151 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 3hox s SER 152 N -0.56 7.45 -0.11 4.37 0.01 -0.62 -4.78 113.70 119.45 3hox s SER 152 Ca 0.39 1.87 -0.13 0.00 1.31 0.00 0.00 55.95 59.39 3hox s SER 152 Cb 0.30 -2.59 -0.27 0.00 0.21 0.00 0.00 66.02 63.67 3hox s SER 152 CO 0.11 -0.10 0.50 -0.09 0.41 0.00 0.00 173.24 174.06 3hox h ARG 153 N 5.44 0.25 -4.02 12.44 2.43 -1.89 -3.45 114.38 125.58 3hox h ARG 153 Ca -0.43 -0.43 -0.60 0.00 -0.81 0.00 0.00 59.98 57.71 3hox h ARG 153 Cb 1.21 0.16 -0.39 0.00 -0.42 0.00 0.00 29.97 30.53 3hox h ARG 153 CO 0.72 1.21 -0.76 -0.06 -1.51 0.00 0.00 179.97 179.57 3hox s PHE 154 N -2.50 2.23 -0.68 2.20 2.99 -1.26 -3.41 117.98 117.54 3hox s PHE 154 Ca -0.21 -1.87 -0.02 0.00 0.00 0.00 0.00 56.93 54.83 3hox s PHE 154 Cb 0.05 -1.81 0.43 0.00 0.00 0.00 0.00 43.02 41.69 3hox s PHE 154 CO 0.77 -0.83 2.04 0.54 -0.00 0.00 0.00 175.22 177.74 3hox n ARG 155 N 4.70 2.67 -3.48 0.44 1.74 -1.26 -4.54 116.66 116.93 3hox n ARG 155 Ca -0.05 -3.26 -0.24 0.00 -0.77 0.00 0.00 57.85 53.54 3hox n ARG 155 Cb 0.43 -2.26 -0.13 0.00 -1.02 0.00 0.00 32.46 29.48 3hox n ARG 155 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3hox s ASP 156 N -1.65 2.70 0.00 0.55 -0.00 -1.26 -5.02 116.67 111.98 3hox s ASP 156 Ca 0.62 -1.09 0.00 0.00 -0.00 0.00 0.00 52.55 52.08 3hox s ASP 156 Cb 0.49 0.03 0.00 0.00 -0.00 0.00 0.00 42.92 43.44 3hox s ASP 156 CO -0.06 -0.41 0.00 1.67 -0.00 0.00 0.00 175.17 176.36 3hox n GLN 157 N 5.23 0.00 -0.06 8.23 -0.06 -1.26 0.22 117.38 129.68 3hox n GLN 157 Ca -0.04 0.00 -0.09 0.00 -2.00 0.00 0.00 57.00 54.87 3hox n GLN 157 Cb 0.44 0.00 -0.08 0.00 -4.06 0.00 0.00 30.24 26.53 3hox n GLN 157 CO 0.00 0.00 0.00 0.93 -0.20 0.00 0.00 177.06 177.79 3hox h GLU 158 N 0.00 0.00 -0.88 3.69 5.08 -1.97 -2.63 114.58 117.87 3hox h GLU 158 Ca 0.00 0.00 0.20 0.00 -1.00 0.00 0.00 59.36 58.56 3hox h GLU 158 Cb 0.00 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.13 3hox h GLU 158 CO 0.00 0.65 0.40 1.79 -1.00 0.00 0.00 179.01 180.85 3hox h THR 159 N -1.00 0.54 0.00 1.13 1.35 0.24 0.60 112.91 115.77 3hox h THR 159 Ca -0.01 -0.16 -0.05 0.00 -0.55 0.00 0.00 66.41 65.64 3hox h THR 159 Cb 0.66 0.05 -0.01 0.00 -1.73 0.00 0.00 68.15 67.12 3hox h THR 159 CO -0.00 0.08 -0.25 0.58 -0.25 0.00 0.00 175.52 175.68 3hox h VAL 160 N 0.45 0.57 0.11 6.82 2.07 -1.48 -2.40 116.25 122.39 3hox h VAL 160 Ca 0.53 -1.25 -0.18 0.00 0.82 0.00 0.00 66.70 66.62 3hox h VAL 160 Cb 0.95 1.85 0.02 0.00 -1.52 0.00 0.00 31.29 32.59 3hox h VAL 160 CO -0.48 0.24 -0.77 1.23 0.02 0.00 0.00 177.57 177.81 3hox h GLY 161 N 2.30 0.38 0.13 2.17 0.00 0.43 -3.12 103.07 105.36 3hox h GLY 161 Ca -0.00 -0.87 0.08 0.00 0.00 0.00 0.00 47.33 46.53 3hox h GLY 161 CO 0.03 0.76 -0.16 0.00 0.00 0.00 0.00 176.54 177.17 3hox h ALA 162 N 0.14 0.12 -0.18 3.60 0.00 -0.44 0.98 119.26 123.49 3hox h ALA 162 Ca -0.13 0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.95 3hox h ALA 162 Cb 1.57 0.40 -0.07 0.00 0.00 0.00 0.00 17.79 19.69 3hox h ALA 162 CO 0.15 -0.54 -0.51 0.28 0.00 0.00 0.00 179.25 178.63 3hox h VAL 163 N -0.10 0.03 -0.45 0.00 2.07 -1.54 0.11 116.25 116.38 3hox h VAL 163 Ca 0.18 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.76 3hox h VAL 163 Cb 0.38 0.03 -0.09 0.00 -1.52 0.00 0.00 31.29 30.09 3hox h VAL 163 CO -0.43 0.00 -0.51 0.40 0.02 0.00 0.00 177.57 177.05 3hox h ILE 164 N -0.54 0.03 -0.37 4.57 2.04 -1.09 -0.24 117.51 121.92 3hox h ILE 164 Ca 0.05 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.98 3hox h ILE 164 Cb 0.66 0.03 -0.09 0.00 -0.74 0.00 0.00 36.82 36.69 3hox h ILE 164 CO -0.45 0.00 -0.39 1.56 0.00 0.00 0.00 178.15 178.86 3hox h GLN 165 N -0.35 -0.31 -0.00 2.37 4.20 -0.01 0.85 115.11 121.86 3hox h GLN 165 Ca 0.10 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.84 3hox h GLN 165 Cb 0.59 0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.44 3hox h GLN 165 CO -0.61 -0.21 -0.01 1.25 -0.67 0.00 0.00 178.83 178.58 3hox h LEU 166 N -0.32 -0.03 -0.71 1.46 5.85 0.37 -2.67 115.31 119.26 3hox h LEU 166 Ca 0.14 0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.95 3hox h LEU 166 Cb 0.57 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.55 3hox h LEU 166 CO -0.54 -0.01 0.37 -0.07 -0.34 0.00 0.00 178.44 177.85 3hox h LEU 167 N -0.01 0.52 -5.87 2.25 3.38 -0.85 -3.24 115.31 111.50 3hox h LEU 167 Ca 0.00 0.05 -0.34 0.00 0.09 0.00 0.00 57.88 57.67 3hox h LEU 167 Cb 0.01 -0.05 0.03 0.00 0.09 0.00 0.00 40.66 40.74 3hox h LEU 167 CO -0.01 0.32 2.07 0.29 0.09 0.00 0.00 178.44 181.19 3hox n LYS 168 N -4.82 1.31 0.00 1.13 4.76 0.29 -1.03 118.16 119.81 3hox n LYS 168 Ca 0.10 -1.25 0.00 0.00 -2.87 0.00 0.00 58.31 54.29 3hox n LYS 168 Cb 0.23 -2.42 0.00 0.00 -1.84 0.00 0.00 35.03 31.00 3hox n LYS 168 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 3hox n SER 169 N 5.30 0.00 0.29 4.39 3.41 -1.22 -4.85 113.62 120.94 3hox n SER 169 Ca 0.34 0.00 0.18 0.00 -0.26 0.00 0.00 58.87 59.13 3hox n SER 169 Cb 0.16 0.00 0.80 0.00 -0.26 0.00 0.00 64.21 64.91 3hox n SER 169 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 3hox h THR 170 N 0.00 0.07 0.00 6.66 1.35 -1.29 -3.45 112.91 116.25 3hox h THR 170 Ca 0.00 -0.43 0.00 0.00 -0.55 0.00 0.00 66.41 65.43 3hox h THR 170 Cb 0.00 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 67.82 3hox h THR 170 CO 0.00 0.02 0.00 0.61 -0.25 0.00 0.00 175.52 175.90 3hox n GLY 171 N -0.25 1.83 3.71 5.82 0.00 -1.26 -4.98 105.19 110.06 3hox n GLY 171 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 3hox n GLY 171 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hox s LEU 172 N 0.00 3.05 0.38 0.99 1.43 -1.26 -4.96 118.68 118.31 3hox s LEU 172 Ca 0.00 2.17 -0.27 0.00 -1.03 0.00 0.00 54.13 55.00 3hox s LEU 172 Cb 0.00 -4.57 -0.09 0.00 0.03 0.00 0.00 46.19 41.56 3hox s LEU 172 CO 0.00 -2.59 1.31 -2.28 0.23 0.00 0.00 176.35 173.02 3hox s HIS 173 N -2.48 2.87 0.55 0.29 5.65 -1.26 -4.74 115.29 116.18 3hox s HIS 173 Ca 0.68 1.40 0.34 0.00 0.25 0.00 0.00 55.06 57.73 3hox s HIS 173 Cb -0.24 -3.68 1.51 0.00 -1.18 0.00 0.00 32.58 28.99 3hox s HIS 173 CO 0.53 -2.05 1.83 -1.35 -0.65 0.00 0.00 174.74 173.05 3hox h PRO 174 N 2.88 0.00 -0.26 2.88 0.11 -1.92 0.31 132.00 135.99 3hox h PRO 174 Ca -0.49 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.49 3hox h PRO 174 Cb 1.24 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 3hox h PRO 174 CO 0.63 0.00 -0.36 0.35 -0.21 0.00 0.00 178.00 178.41 3hox h PHE 175 N 0.00 0.69 0.11 0.65 3.57 -1.93 -0.76 116.94 119.27 3hox h PHE 175 Ca 0.48 -0.19 -0.01 0.00 3.53 0.00 0.00 57.97 61.79 3hox h PHE 175 Cb 1.99 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 40.58 3hox h PHE 175 CO 0.00 0.87 -0.05 0.93 -2.23 0.00 0.00 178.31 177.83 3hox h GLU 176 N 0.49 -0.14 -1.28 1.11 5.08 -0.83 -1.90 114.58 117.10 3hox h GLU 176 Ca 0.05 0.01 0.37 0.00 -1.00 0.00 0.00 59.36 58.79 3hox h GLU 176 Cb 0.86 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 30.09 3hox h GLU 176 CO 0.07 0.34 0.96 0.28 -1.00 0.00 0.00 179.01 179.66 3hox h VAL 177 N -0.87 0.31 0.07 3.13 2.07 -1.02 0.42 116.25 120.36 3hox h VAL 177 Ca -0.02 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.50 3hox h VAL 177 Cb 0.55 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 3hox h VAL 177 CO 0.03 0.00 -0.04 0.00 0.02 0.00 0.00 177.57 177.58 3hox h ALA 178 N 1.29 -0.10 -0.62 1.67 0.00 -1.06 -3.08 119.26 117.35 3hox h ALA 178 Ca 0.61 -0.17 0.12 0.00 0.00 0.00 0.00 54.91 55.47 3hox h ALA 178 Cb 2.52 0.04 -0.09 0.00 0.00 0.00 0.00 17.79 20.26 3hox h ALA 178 CO -0.01 -0.11 0.11 1.96 0.00 0.00 0.00 179.25 181.20 3hox h GLN 179 N -0.99 0.22 0.00 0.00 1.08 0.35 0.25 115.11 116.02 3hox h GLN 179 Ca -0.01 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.16 3hox h GLN 179 Cb 0.38 -0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 27.76 3hox h GLN 179 CO 0.02 0.15 -0.07 -0.07 -0.95 0.00 0.00 178.83 177.91 3hox h LEU 180 N 0.23 0.00 0.31 1.46 3.38 -0.50 -0.11 115.31 120.09 3hox h LEU 180 Ca 0.33 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.29 3hox h LEU 180 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 3hox h LEU 180 CO -0.44 0.07 -0.15 1.23 0.09 0.00 0.00 178.44 179.23 3hox h GLY 181 N 0.26 -0.44 1.34 0.83 0.00 -0.45 -3.36 103.07 101.26 3hox h GLY 181 Ca -0.00 0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.49 3hox h GLY 181 CO 0.01 -0.16 -0.00 -1.14 0.00 0.00 0.00 176.54 175.25 3hox n SER 182 N -5.06 0.01 -4.28 0.19 3.41 -0.59 -4.75 113.62 102.56 3hox n SER 182 Ca -0.06 -0.47 -0.35 0.00 -0.26 0.00 0.00 58.87 57.73 3hox n SER 182 Cb 0.20 -0.18 -0.14 0.00 -0.26 0.00 0.00 64.21 63.83 3hox n SER 182 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3hox s LEU 183 N -2.36 2.97 -0.12 1.04 1.43 -0.07 -4.91 118.68 116.67 3hox s LEU 183 Ca 0.36 -0.52 -0.29 0.00 -1.03 0.00 0.00 54.13 52.64 3hox s LEU 183 Cb 0.21 -1.72 -0.05 0.00 0.03 0.00 0.00 46.19 44.66 3hox s LEU 183 CO 0.43 -0.05 1.71 0.00 0.23 0.00 0.00 176.35 178.66 3hox s ALA 184 N 1.44 3.42 -0.03 4.21 0.00 -1.26 -4.80 121.76 124.75 3hox s ALA 184 Ca 0.04 0.79 0.01 0.00 0.00 0.00 0.00 51.96 52.80 3hox s ALA 184 Cb -0.15 -3.82 0.02 0.00 0.00 0.00 0.00 23.12 19.18 3hox s ALA 184 CO -0.04 -1.71 -0.01 0.00 0.00 0.00 0.00 175.76 174.00 3hox n ASP 186 N 3.92 0.00 -4.75 0.00 8.00 -1.26 -4.88 116.55 117.59 3hox n ASP 186 Ca -0.25 0.02 -0.34 0.00 0.71 0.00 0.00 54.79 54.93 3hox n ASP 186 Cb 0.52 -0.11 0.06 0.00 -0.02 0.00 0.00 41.12 41.57 3hox n ASP 186 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3hox s THR 187 N -0.21 2.72 0.43 -3.53 2.01 -1.26 -4.82 115.64 110.97 3hox s THR 187 Ca 0.00 0.37 0.30 0.00 0.31 0.00 0.00 61.69 62.67 3hox s THR 187 Cb 0.00 -2.95 0.33 0.00 0.01 0.00 0.00 72.50 69.89 3hox s THR 187 CO 0.00 -0.17 2.12 0.00 -0.69 0.00 0.00 174.62 175.87 3hox h ALA 188 N 0.10 1.25 0.28 7.40 0.00 -1.94 -2.81 119.26 123.53 3hox h ALA 188 Ca -0.48 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.34 3hox h ALA 188 Cb 1.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3hox h ALA 188 CO 0.52 0.10 -0.13 0.22 0.00 0.00 0.00 179.25 179.96 3hox h ASP 189 N 0.00 -0.31 -0.99 0.00 1.82 -1.95 0.33 116.42 115.32 3hox h ASP 189 Ca -0.00 0.01 0.26 0.00 -0.39 0.00 0.00 57.03 56.91 3hox h ASP 189 Cb 0.28 0.08 -0.18 0.00 0.68 0.00 0.00 39.33 40.19 3hox h ASP 189 CO 0.01 -0.18 -0.03 -0.08 -1.61 0.00 0.00 179.24 177.35 3hox h GLU 190 N -0.45 0.01 0.00 0.28 4.81 -1.86 -0.45 114.58 116.92 3hox h GLU 190 Ca -0.04 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3hox h GLU 190 Cb 0.28 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.66 3hox h GLU 190 CO 0.06 0.00 0.00 0.00 -0.73 0.00 0.00 179.01 178.35 3hox n ALA 191 N -3.23 -0.28 0.06 2.92 0.00 -1.09 -1.75 120.51 117.15 3hox n ALA 191 Ca 0.22 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.67 3hox n ALA 191 Cb 0.71 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.20 3hox n ALA 191 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3hox n LYS 192 N -1.52 0.02 -0.11 0.00 4.76 0.10 -0.07 118.16 121.34 3hox n LYS 192 Ca 0.00 0.25 -0.21 0.00 -2.87 0.00 0.00 58.31 55.48 3hox n LYS 192 Cb 0.00 -2.02 -0.09 0.00 -1.84 0.00 0.00 35.03 31.08 3hox n LYS 192 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 3hox n THR 193 N -1.38 1.51 0.45 -0.18 -1.04 -0.23 -3.43 114.28 109.98 3hox n THR 193 Ca -0.00 -0.09 0.12 0.00 -2.04 0.00 0.00 64.05 62.04 3hox n THR 193 Cb 0.48 -2.07 0.48 0.00 -1.82 0.00 0.00 70.33 67.40 3hox n THR 193 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3hox n LEU 194 N -4.40 0.74 -3.19 -4.42 4.77 0.48 -3.25 117.00 107.73 3hox n LEU 194 Ca -0.34 0.65 -0.24 0.00 -0.03 0.00 0.00 56.01 56.05 3hox n LEU 194 Cb 0.68 -0.52 -0.06 0.00 -2.33 0.00 0.00 43.42 41.19 3hox n LEU 194 CO 0.13 -0.48 -0.11 -0.38 -1.33 0.00 0.00 177.39 175.21 3hox n ILE 195 N -2.28 0.86 0.00 -0.08 5.41 0.90 -4.92 119.36 119.25 3hox n ILE 195 Ca 0.03 -4.75 0.00 0.00 1.00 0.00 0.00 62.75 59.03 3hox n ILE 195 Cb 0.28 -1.40 0.00 0.00 -0.71 0.00 0.00 39.64 37.81 3hox n ILE 195 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 3hox n PRO 196 N 0.64 0.00 -0.04 0.38 -0.04 -1.20 -0.90 135.00 133.84 3hox n PRO 196 Ca 0.26 0.25 -0.14 0.00 -0.04 0.00 0.00 63.50 63.83 3hox n PRO 196 Cb 0.51 -1.69 -0.09 0.00 -0.04 0.00 0.00 33.50 32.20 3hox n PRO 196 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 3hox h SER 197 N 0.00 0.33 0.00 3.54 0.02 -1.84 -3.39 113.55 112.21 3hox h SER 197 Ca 0.00 -0.60 0.00 0.00 -0.84 0.00 0.00 61.79 60.35 3hox h SER 197 Cb 0.37 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.81 3hox h SER 197 CO 0.00 0.88 0.00 0.18 -1.14 0.00 0.00 176.83 176.75 3hox n LEU 198 N -4.52 0.00 0.00 5.07 4.77 -0.08 -4.56 117.00 117.69 3hox n LEU 198 Ca -0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 3hox n LEU 198 Cb 0.44 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 3hox n LEU 198 CO 0.40 0.00 0.00 0.59 -1.33 0.00 0.00 177.39 177.05 3hox n ASN 199 N 0.00 0.00 -0.01 -1.43 3.02 -1.26 -2.08 115.26 113.51 3hox n ASN 199 Ca 0.00 0.00 0.09 0.00 -0.03 0.00 0.00 54.58 54.64 3hox n ASN 199 Cb 0.00 0.00 -0.14 0.00 -0.61 0.00 0.00 39.78 39.03 3hox n ASN 199 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3hox n ASN 200 N 0.23 0.80 -0.07 6.41 3.02 -1.26 -4.55 115.26 119.84 3hox n ASN 200 Ca 0.00 -0.08 -0.08 0.00 -0.03 0.00 0.00 54.58 54.39 3hox n ASN 200 Cb 0.00 1.77 -0.01 0.00 -0.61 0.00 0.00 39.78 40.92 3hox n ASN 200 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 3hox h LYS 201 N 0.00 0.19 -4.83 3.52 1.57 -1.70 -3.43 116.57 111.90 3hox h LYS 201 Ca 0.00 -0.01 -0.39 0.00 -1.87 0.00 0.00 60.65 58.38 3hox h LYS 201 Cb 0.80 -0.04 -0.27 0.00 0.08 0.00 0.00 32.23 32.80 3hox h LYS 201 CO 0.00 0.13 -0.77 -1.50 -0.57 0.00 0.00 179.45 176.73 3hox s ILE 202 N -6.17 0.77 0.73 1.86 2.07 -1.26 -5.07 121.20 114.12 3hox s ILE 202 Ca -0.13 -0.63 -0.14 0.00 -1.41 0.00 0.00 60.65 58.34 3hox s ILE 202 Cb 0.10 -0.69 0.04 0.00 0.13 0.00 0.00 42.46 42.04 3hox s ILE 202 CO 0.70 0.06 1.16 -0.94 -1.91 0.00 0.00 174.94 174.01 3hox s SER 203 N -0.63 4.41 0.11 4.50 1.04 -1.26 -4.77 113.70 117.10 3hox s SER 203 Ca 0.01 2.16 -0.20 0.00 0.48 0.00 0.00 55.95 58.40 3hox s SER 203 Cb -0.05 -2.57 -0.08 0.00 0.10 0.00 0.00 66.02 63.42 3hox s SER 203 CO 0.00 -2.11 1.74 0.44 0.98 0.00 0.00 173.24 174.30 3hox h ASP 204 N -0.42 0.22 0.31 7.02 3.32 -1.96 -0.05 116.42 124.86 3hox h ASP 204 Ca -0.46 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 56.53 3hox h ASP 204 Cb 1.27 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.76 3hox h ASP 204 CO 0.51 0.19 -0.22 0.44 -1.72 0.00 0.00 179.24 178.44 3hox h ASP 205 N 0.22 -0.58 -0.74 6.45 3.32 -1.98 0.20 116.42 123.30 3hox h ASP 205 Ca 0.07 0.04 0.09 0.00 0.02 0.00 0.00 57.03 57.24 3hox h ASP 205 Cb 0.02 0.18 -0.11 0.00 0.22 0.00 0.00 39.33 39.63 3hox h ASP 205 CO -0.01 -0.33 -0.51 -0.33 -1.72 0.00 0.00 179.24 176.34 3hox h GLU 206 N -0.51 -0.15 -0.80 3.56 4.39 -1.94 0.68 114.58 119.81 3hox h GLU 206 Ca -0.04 0.01 0.15 0.00 0.34 0.00 0.00 59.36 59.82 3hox h GLU 206 Cb 0.42 0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 29.05 3hox h GLU 206 CO 0.02 -0.10 0.53 1.25 -1.16 0.00 0.00 179.01 179.55 3hox h LEU 207 N -0.16 0.47 -0.24 1.33 5.85 -0.92 -0.40 115.31 121.24 3hox h LEU 207 Ca 0.17 0.03 -0.15 0.00 0.84 0.00 0.00 57.88 58.77 3hox h LEU 207 Cb 0.52 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.49 3hox h LEU 207 CO -0.80 0.24 -0.45 -0.08 -0.34 0.00 0.00 178.44 177.01 3hox h GLU 208 N 0.49 0.73 0.15 1.25 4.81 0.34 -1.03 114.58 121.31 3hox h GLU 208 Ca 0.40 -0.46 0.01 0.00 -0.13 0.00 0.00 59.36 59.18 3hox h GLU 208 Cb 0.83 0.06 -0.05 0.00 0.63 0.00 0.00 28.75 30.22 3hox h GLU 208 CO -0.15 1.09 -0.49 0.00 -0.73 0.00 0.00 179.01 178.73 3hox h ARG 209 N 0.46 -0.72 -0.66 1.92 3.08 0.12 -0.09 114.38 118.49 3hox h ARG 209 Ca 0.01 0.05 0.12 0.00 0.07 0.00 0.00 59.98 60.23 3hox h ARG 209 Cb 1.06 0.16 -0.12 0.00 0.08 0.00 0.00 29.97 31.15 3hox h ARG 209 CO 0.10 -0.48 -0.30 0.82 -1.07 0.00 0.00 179.97 179.04 3hox h ILE 210 N -0.74 0.18 -0.94 2.04 2.04 -1.21 0.48 117.51 119.37 3hox h ILE 210 Ca -0.00 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.07 3hox h ILE 210 Cb 0.75 0.18 -0.08 0.00 -0.74 0.00 0.00 36.82 36.94 3hox h ILE 210 CO -0.26 0.00 0.61 -0.07 0.00 0.00 0.00 178.15 178.43 3hox h LEU 211 N -0.11 0.48 0.11 1.44 3.38 0.20 0.25 115.31 121.06 3hox h LEU 211 Ca 0.27 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.29 3hox h LEU 211 Cb 0.55 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.27 3hox h LEU 211 CO -0.72 0.18 -0.05 0.11 0.09 0.00 0.00 178.44 178.05 3hox h LYS 212 N 0.47 -0.14 -0.50 1.13 1.57 0.17 -1.13 116.57 118.14 3hox h LYS 212 Ca 0.50 0.01 0.08 0.00 -1.87 0.00 0.00 60.65 59.36 3hox h LYS 212 Cb 1.15 0.03 -0.06 0.00 0.08 0.00 0.00 32.23 33.43 3hox h LYS 212 CO -0.22 -0.06 0.14 0.93 -0.57 0.00 0.00 179.45 179.68 3hox h GLU 213 N -0.19 0.29 -0.86 3.15 4.39 0.31 -2.02 114.58 119.64 3hox h GLU 213 Ca -0.02 -0.02 0.08 0.00 0.34 0.00 0.00 59.36 59.75 3hox h GLU 213 Cb 0.15 -0.06 -0.07 0.00 -0.10 0.00 0.00 28.75 28.67 3hox h GLU 213 CO 0.02 0.19 0.52 -0.07 -1.16 0.00 0.00 179.01 178.52 3hox h LEU 214 N 0.29 0.79 -0.11 1.33 -0.00 -0.36 -0.46 115.31 116.80 3hox h LEU 214 Ca 0.24 0.03 0.00 0.00 -0.00 0.00 0.00 57.88 58.15 3hox h LEU 214 Cb 0.29 -0.13 0.00 0.00 -0.00 0.00 0.00 40.66 40.82 3hox h LEU 214 CO -0.28 0.48 0.00 -1.54 -0.00 0.00 0.00 178.44 177.10 3hox n SER 215 N -4.66 0.22 -0.01 -0.43 3.41 -0.48 -1.93 113.62 109.75 3hox n SER 215 Ca 0.13 0.54 -0.01 0.00 -0.26 0.00 0.00 58.87 59.27 3hox n SER 215 Cb 0.23 -0.59 -0.00 0.00 -0.26 0.00 0.00 64.21 63.58 3hox n SER 215 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 3hox h ASN 216 N 0.00 0.00 -0.21 4.04 2.35 -0.72 -3.34 115.58 117.70 3hox h ASN 216 Ca 0.00 0.00 0.06 0.00 -0.55 0.00 0.00 56.30 55.81 3hox h ASN 216 Cb 0.42 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.78 3hox h ASN 216 CO 0.00 0.11 0.66 -0.07 -1.65 0.00 0.00 177.43 176.48 3hox h LEU 217 N -0.15 0.00 -8.16 1.61 3.38 -1.36 -3.37 115.31 107.26 3hox h LEU 217 Ca 0.00 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.80 3hox h LEU 217 Cb 0.07 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.76 3hox h LEU 217 CO 0.00 0.00 0.98 1.21 0.09 0.00 0.00 178.44 180.72 3hox n GLU 218 N -2.96 0.26 -1.10 1.13 2.13 -0.81 -4.82 120.64 114.47 3hox n GLU 218 Ca 0.04 -0.46 -0.37 0.00 0.66 0.00 0.00 57.16 57.03 3hox n GLU 218 Cb 0.75 -2.36 0.02 0.00 0.27 0.00 0.00 31.44 30.13 3hox n GLU 218 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 3hox n THR 219 N 7.14 0.00 -2.84 6.31 -1.04 -1.22 -4.97 114.28 117.66 3hox n THR 219 Ca 0.55 -0.49 -0.06 0.00 -2.04 0.00 0.00 64.05 62.01 3hox n THR 219 Cb 0.30 0.00 0.02 0.00 -1.82 0.00 0.00 70.33 68.83 3hox n THR 219 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 3hox n LEU 220 N 2.95 0.00 0.00 -4.42 0.00 -1.26 -4.87 117.00 109.40 3hox n LEU 220 Ca 0.03 -0.68 0.00 0.00 0.00 0.00 0.00 56.01 55.36 3hox n LEU 220 Cb 0.51 -0.14 0.00 0.00 0.00 0.00 0.00 43.42 43.79 3hox n LEU 220 CO 0.52 -0.58 0.07 -1.22 0.00 0.00 0.00 177.39 176.19