#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hox n ASN 2 N 0.00 5.36 -4.71 6.12 3.02 -1.26 -4.94 115.26 118.85 3hox n ASN 2 Ca 0.00 -2.75 -0.42 0.00 -0.03 0.00 0.00 54.58 51.38 3hox n ASN 2 Cb 0.00 -0.65 -0.03 0.00 -0.61 0.00 0.00 39.78 38.49 3hox n ASN 2 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hox s ALA 3 N -2.43 3.44 1.18 5.41 0.00 -1.26 -5.04 121.76 123.06 3hox s ALA 3 Ca 0.53 0.87 -0.19 0.00 0.00 0.00 0.00 51.96 53.18 3hox s ALA 3 Cb 0.38 -3.47 0.28 0.00 0.00 0.00 0.00 23.12 20.31 3hox s ALA 3 CO 0.19 -0.51 1.11 -1.25 0.00 0.00 0.00 175.76 175.29 3hox s PRO 4 N 1.22 -1.08 -0.39 0.00 0.04 -1.26 -4.97 135.00 128.56 3hox s PRO 4 Ca 0.60 -0.01 -0.19 0.00 0.04 0.00 0.00 61.00 61.44 3hox s PRO 4 Cb -0.30 -1.61 0.01 0.00 0.04 0.00 0.00 34.50 32.64 3hox s PRO 4 CO 0.29 -3.63 0.54 -0.51 0.04 0.00 0.00 177.00 173.73 3hox s ASP 5 N -3.84 6.30 0.12 6.66 1.01 -1.26 -4.94 116.67 120.71 3hox s ASP 5 Ca 0.70 -0.25 0.01 0.00 0.71 0.00 0.00 52.55 53.72 3hox s ASP 5 Cb -0.11 -2.28 0.30 0.00 1.01 0.00 0.00 42.92 41.85 3hox s ASP 5 CO 0.56 -0.60 0.58 0.54 0.21 0.00 0.00 175.17 176.46 3hox n ARG 6 N 5.89 -0.03 0.26 8.23 5.12 -1.26 0.19 116.66 135.06 3hox n ARG 6 Ca -0.04 0.55 0.18 0.00 -1.93 0.00 0.00 57.85 56.60 3hox n ARG 6 Cb 0.48 -0.88 0.84 0.00 -1.16 0.00 0.00 32.46 31.74 3hox n ARG 6 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 3hox h PHE 7 N 0.00 0.00 0.00 -1.55 -5.15 -2.01 -1.99 116.94 106.24 3hox h PHE 7 Ca 0.23 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.00 3hox h PHE 7 Cb 0.49 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.66 3hox h PHE 7 CO -0.17 0.00 0.00 0.39 -2.00 0.00 0.00 178.31 176.53 3hox n GLU 8 N -2.84 0.16 0.24 6.09 1.02 0.50 -1.60 120.64 124.21 3hox n GLU 8 Ca -0.01 0.12 0.13 0.00 -0.02 0.00 0.00 57.16 57.39 3hox n GLU 8 Cb 0.17 -1.50 0.50 0.00 -0.02 0.00 0.00 31.44 30.60 3hox n GLU 8 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3hox h LEU 9 N 0.00 0.00 0.00 -4.62 3.38 -1.53 -3.38 115.31 109.17 3hox h LEU 9 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hox h LEU 9 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3hox h LEU 9 CO 0.00 0.10 0.00 2.22 0.09 0.00 0.00 178.44 180.85 3hox n PHE 10 N -3.21 0.00 -3.27 1.13 1.16 -0.63 -4.35 117.46 108.29 3hox n PHE 10 Ca 0.01 0.00 -0.46 0.00 -1.87 0.00 0.00 57.45 55.13 3hox n PHE 10 Cb 0.40 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 38.22 3hox n PHE 10 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 3hox s LEU 11 N 0.00 5.97 -0.68 5.98 1.43 -0.76 -4.95 118.68 125.67 3hox s LEU 11 Ca 0.00 -1.67 -0.32 0.00 -1.03 0.00 0.00 54.13 51.11 3hox s LEU 11 Cb 0.00 -2.23 -0.15 0.00 0.03 0.00 0.00 46.19 43.83 3hox s LEU 11 CO 0.00 -0.90 2.47 -0.11 0.23 0.00 0.00 176.35 178.04 3hox n LEU 12 N 5.48 1.27 -4.75 1.79 7.94 -1.26 -4.81 117.00 122.66 3hox n LEU 12 Ca -0.13 0.08 -0.38 0.00 -1.11 0.00 0.00 56.01 54.47 3hox n LEU 12 Cb 0.41 -1.17 0.03 0.00 0.53 0.00 0.00 43.42 43.22 3hox n LEU 12 CO 0.54 -0.96 0.95 -0.83 -1.11 0.00 0.00 177.39 175.99 3hox s GLY 13 N 9.28 2.87 -0.05 -3.96 0.00 -1.26 -4.77 107.32 109.42 3hox s GLY 13 Ca 1.19 1.26 -0.08 0.00 0.00 0.00 0.00 44.72 47.09 3hox s GLY 13 CO 0.44 1.76 0.25 -2.21 0.00 0.00 0.00 173.10 173.35 3hox n GLU 14 N -0.97 0.00 -2.84 2.90 2.13 -1.26 -1.64 120.64 118.95 3hox n GLU 14 Ca 0.10 0.00 -0.20 0.00 0.66 0.00 0.00 57.16 57.72 3hox n GLU 14 Cb 0.46 -0.27 0.03 0.00 0.27 0.00 0.00 31.44 31.92 3hox n GLU 14 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3hox n GLY 15 N 0.54 -0.43 3.50 8.31 0.00 -1.26 -5.03 105.19 110.83 3hox n GLY 15 Ca 0.05 0.03 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 3hox n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hox s GLU 16 N -5.48 1.77 -0.05 1.61 2.02 -0.65 -5.14 118.70 112.77 3hox s GLU 16 Ca 0.23 -1.78 -0.02 0.00 0.02 0.00 0.00 54.97 53.42 3hox s GLU 16 Cb -0.10 -1.79 0.03 0.00 0.10 0.00 0.00 34.13 32.37 3hox s GLU 16 CO 0.28 0.29 0.03 -1.12 0.02 0.00 0.00 175.26 174.76 3hox s SER 17 N -3.55 1.23 0.05 -0.19 0.01 -1.26 -4.87 113.70 105.12 3hox s SER 17 Ca 0.31 0.01 -0.10 0.00 1.31 0.00 0.00 55.95 57.48 3hox s SER 17 Cb -0.03 -0.25 -0.02 0.00 0.21 0.00 0.00 66.02 65.92 3hox s SER 17 CO 0.16 -0.22 0.49 0.29 0.41 0.00 0.00 173.24 174.37 3hox n LYS 18 N 5.14 -0.14 -3.95 12.44 4.76 -1.26 -4.12 118.16 131.03 3hox n LYS 18 Ca -0.07 0.48 -0.28 0.00 -2.87 0.00 0.00 58.31 55.57 3hox n LYS 18 Cb 0.50 -0.71 -0.04 0.00 -1.84 0.00 0.00 35.03 32.95 3hox n LYS 18 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3hox s LEU 19 N -8.80 4.30 -0.23 -0.35 1.43 -1.26 -0.37 118.68 113.40 3hox s LEU 19 Ca -0.04 0.19 -0.09 0.00 -1.03 0.00 0.00 54.13 53.16 3hox s LEU 19 Cb 0.04 -2.89 0.10 0.00 0.03 0.00 0.00 46.19 43.46 3hox s LEU 19 CO 0.20 0.11 0.51 -0.75 0.23 0.00 0.00 176.35 176.64 3hox s LYS 20 N -2.88 0.44 -0.17 1.70 2.20 -1.00 -4.98 119.74 115.05 3hox s LYS 20 Ca 0.34 1.14 0.00 0.00 -0.36 0.00 0.00 55.97 57.09 3hox s LYS 20 Cb -0.12 0.41 0.01 0.00 -1.51 0.00 0.00 37.83 36.62 3hox s LYS 20 CO 0.28 -0.21 -0.16 0.42 -0.36 0.00 0.00 175.35 175.31 3hox s ILE 21 N 2.41 2.48 -0.08 5.43 1.01 -1.26 -0.56 121.20 130.63 3hox s ILE 21 Ca -0.05 -0.82 0.03 0.00 0.00 0.00 0.00 60.65 59.81 3hox s ILE 21 Cb -0.11 -2.05 0.01 0.00 0.01 0.00 0.00 42.46 40.32 3hox s ILE 21 CO -0.15 0.51 -0.18 -1.81 0.00 0.00 0.00 174.94 173.31 3hox s ASP 22 N 1.05 2.45 0.06 3.58 1.01 -0.14 -5.01 116.67 119.68 3hox s ASP 22 Ca -0.01 -0.43 -0.31 0.00 0.71 0.00 0.00 52.55 52.51 3hox s ASP 22 Cb -0.14 -1.12 -0.07 0.00 1.01 0.00 0.00 42.92 42.59 3hox s ASP 22 CO -0.05 0.09 1.37 -2.16 0.21 0.00 0.00 175.17 174.64 3hox s PRO 23 N 0.52 4.32 0.40 8.23 0.04 -1.26 -0.80 135.00 146.45 3hox s PRO 23 Ca -0.16 2.00 -0.25 0.00 0.04 0.00 0.00 61.00 62.62 3hox s PRO 23 Cb -0.17 -3.39 -0.08 0.00 0.04 0.00 0.00 34.50 30.89 3hox s PRO 23 CO 0.06 -0.47 1.17 0.34 0.04 0.00 0.00 177.00 178.14 3hox s ASP 24 N 1.42 6.50 -0.22 6.66 -1.08 -1.04 -4.85 116.67 124.06 3hox s ASP 24 Ca 0.64 2.34 0.01 0.00 -0.52 0.00 0.00 52.55 55.02 3hox s ASP 24 Cb -0.34 -2.61 -0.14 0.00 -1.46 0.00 0.00 42.92 38.37 3hox s ASP 24 CO 0.29 -0.69 -0.20 0.41 0.52 0.00 0.00 175.17 175.50 3hox n THR 25 N 0.03 1.28 -0.27 1.71 -1.04 -1.26 -4.48 114.28 110.25 3hox n THR 25 Ca 0.05 -0.48 0.33 0.00 -2.04 0.00 0.00 64.05 61.90 3hox n THR 25 Cb 0.47 -1.31 0.66 0.00 -1.82 0.00 0.00 70.33 68.32 3hox n THR 25 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 3hox h LYS 26 N -0.03 0.00 -4.25 -2.82 1.79 -1.98 -3.40 116.57 105.88 3hox h LYS 26 Ca -0.50 0.00 -0.20 0.00 -2.18 0.00 0.00 60.65 57.77 3hox h LYS 26 Cb 1.76 0.00 -0.20 0.00 -1.58 0.00 0.00 32.23 32.22 3hox h LYS 26 CO -0.09 0.00 -0.71 0.00 -1.08 0.00 0.00 179.45 177.58 3hox s ALA 27 N -4.68 0.39 0.48 3.86 0.00 -1.26 -5.16 121.76 115.39 3hox s ALA 27 Ca -0.04 -0.80 -0.19 0.00 0.00 0.00 0.00 51.96 50.94 3hox s ALA 27 Cb 0.19 0.14 -0.09 0.00 0.00 0.00 0.00 23.12 23.35 3hox s ALA 27 CO 0.65 -0.15 0.97 -1.25 0.00 0.00 0.00 175.76 175.97 3hox s PRO 28 N -2.05 4.06 -0.71 0.00 0.04 -1.26 -4.44 135.00 130.64 3hox s PRO 28 Ca -0.09 1.04 -0.11 0.00 0.04 0.00 0.00 61.00 61.88 3hox s PRO 28 Cb -0.06 -2.15 0.02 0.00 0.04 0.00 0.00 34.50 32.34 3hox s PRO 28 CO -0.02 -0.17 0.61 -1.71 0.04 0.00 0.00 177.00 175.75 3hox n ASN 29 N -1.16 -4.90 -3.62 6.66 2.85 -1.26 -4.87 115.26 108.97 3hox n ASN 29 Ca 0.07 -0.75 -0.09 0.00 -0.11 0.00 0.00 54.58 53.69 3hox n ASN 29 Cb 0.54 -1.57 -0.06 0.00 1.24 0.00 0.00 39.78 39.93 3hox n ASN 29 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3hox s ALA 30 N -2.55 -1.98 0.06 5.20 0.00 -1.26 -2.63 121.76 118.62 3hox s ALA 30 Ca 0.11 1.76 0.01 0.00 0.00 0.00 0.00 51.96 53.83 3hox s ALA 30 Cb -0.01 -1.20 -0.04 0.00 0.00 0.00 0.00 23.12 21.87 3hox s ALA 30 CO 0.88 -0.25 -0.05 0.08 0.00 0.00 0.00 175.76 176.42 3hox s VAL 31 N -0.28 0.43 -0.16 0.00 1.01 0.11 -2.50 120.40 119.02 3hox s VAL 31 Ca 0.02 -1.66 -0.03 0.00 0.00 0.00 0.00 61.98 60.31 3hox s VAL 31 Cb -0.03 -1.32 -0.02 0.00 0.00 0.00 0.00 36.38 35.00 3hox s VAL 31 CO -0.04 -0.81 -0.07 -0.69 0.00 0.00 0.00 175.10 173.49 3hox s VAL 32 N -3.20 3.56 -0.12 2.92 1.01 0.02 -0.94 120.40 123.64 3hox s VAL 32 Ca 0.04 -0.47 0.02 0.00 0.00 0.00 0.00 61.98 61.56 3hox s VAL 32 Cb 0.03 -2.55 0.01 0.00 0.00 0.00 0.00 36.38 33.87 3hox s VAL 32 CO -0.06 0.49 -0.17 -0.63 0.00 0.00 0.00 175.10 174.74 3hox s ILE 33 N 0.51 1.64 -0.25 2.22 1.01 0.17 -0.97 121.20 125.53 3hox s ILE 33 Ca -0.05 -0.72 -0.20 0.00 0.00 0.00 0.00 60.65 59.68 3hox s ILE 33 Cb -0.15 -1.49 -0.02 0.00 0.01 0.00 0.00 42.46 40.81 3hox s ILE 33 CO 0.03 0.47 0.62 -0.89 0.00 0.00 0.00 174.94 175.18 3hox s THR 34 N 1.04 4.99 -0.31 2.92 2.01 0.28 -0.46 115.64 126.10 3hox s THR 34 Ca -0.05 1.12 -0.11 0.00 0.31 0.00 0.00 61.69 62.97 3hox s THR 34 Cb -0.15 -3.93 -0.02 0.00 0.01 0.00 0.00 72.50 68.41 3hox s THR 34 CO -0.03 0.04 0.19 -0.36 -0.69 0.00 0.00 174.62 173.76 3hox s PHE 35 N 2.45 3.20 0.33 4.92 0.40 -0.36 -2.38 117.98 126.54 3hox s PHE 35 Ca 0.26 -0.30 -0.11 0.00 -0.60 0.00 0.00 56.93 56.18 3hox s PHE 35 Cb -0.16 -2.40 -0.07 0.00 0.51 0.00 0.00 43.02 40.91 3hox s PHE 35 CO 0.09 -0.36 0.70 -1.21 0.70 0.00 0.00 175.22 175.13 3hox s GLU 36 N 1.68 3.84 -1.51 0.44 0.41 0.50 -2.42 118.70 121.65 3hox s GLU 36 Ca 0.06 0.45 -0.01 0.00 -0.41 0.00 0.00 54.97 55.07 3hox s GLU 36 Cb -0.17 -2.48 0.01 0.00 -1.78 0.00 0.00 34.13 29.71 3hox s GLU 36 CO 0.08 0.12 0.17 1.63 -0.49 0.00 0.00 175.26 176.77 3hox n LYS 37 N -0.73 -1.80 -4.07 1.61 4.76 -0.45 -4.71 118.16 112.77 3hox n LYS 37 Ca 0.02 0.21 -0.17 0.00 -2.87 0.00 0.00 58.31 55.49 3hox n LYS 37 Cb 0.53 -3.95 -0.06 0.00 -1.84 0.00 0.00 35.03 29.71 3hox n LYS 37 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3hox n GLU 38 N -4.51 0.50 0.00 1.97 -0.58 -1.23 -4.57 120.64 112.22 3hox n GLU 38 Ca -0.31 -3.03 0.00 0.00 -0.42 0.00 0.00 57.16 53.39 3hox n GLU 38 Cb 0.69 2.64 0.00 0.00 -0.57 0.00 0.00 31.44 34.20 3hox n GLU 38 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 3hox n ASP 39 N -1.70 0.00 0.05 1.62 5.75 -1.26 -2.36 116.55 118.66 3hox n ASP 39 Ca 0.05 0.00 -0.11 0.00 -0.01 0.00 0.00 54.79 54.72 3hox n ASP 39 Cb 0.58 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.62 3hox n ASP 39 CO 0.00 0.00 0.00 0.45 -0.11 0.00 0.00 177.20 177.54 3hox h HIS 40 N 0.00 -0.70 -0.15 2.11 3.86 -1.97 -0.24 115.15 118.06 3hox h HIS 40 Ca 0.00 0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.25 3hox h HIS 40 Cb 0.00 0.31 -0.02 0.00 1.06 0.00 0.00 27.41 28.76 3hox h HIS 40 CO 0.00 -0.35 -0.09 2.41 0.86 0.00 0.00 177.93 180.76 3hox n THR 41 N -5.38 -0.10 -0.05 2.45 -1.04 -1.26 0.26 114.28 109.15 3hox n THR 41 Ca -0.05 0.70 -0.14 0.00 -2.04 0.00 0.00 64.05 62.52 3hox n THR 41 Cb 0.29 -0.90 -0.07 0.00 -1.82 0.00 0.00 70.33 67.83 3hox n THR 41 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3hox h LEU 42 N 0.00 0.55 0.00 -4.42 5.85 -1.93 -3.34 115.31 112.01 3hox h LEU 42 Ca 0.02 -0.55 0.00 0.00 0.84 0.00 0.00 57.88 58.19 3hox h LEU 42 Cb 0.06 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 40.94 3hox h LEU 42 CO -0.14 0.99 0.00 0.61 -0.34 0.00 0.00 178.44 179.56 3hox n GLY 43 N 0.41 -2.56 0.34 3.75 0.00 0.14 -1.98 105.19 105.29 3hox n GLY 43 Ca -0.06 0.07 0.19 0.00 0.00 0.00 0.00 46.02 46.22 3hox n GLY 43 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 3hox h ASN 44 N 0.00 -0.29 -0.23 1.61 -1.24 -1.01 0.21 115.58 114.63 3hox h ASN 44 Ca 0.00 0.27 -0.01 0.00 0.71 0.00 0.00 56.30 57.27 3hox h ASN 44 Cb 0.00 0.43 -0.01 0.00 0.73 0.00 0.00 38.32 39.47 3hox h ASN 44 CO 0.00 -0.37 0.09 0.25 -1.29 0.00 0.00 177.43 176.11 3hox h LEU 45 N 0.01 0.31 -1.50 0.34 5.85 -1.67 0.58 115.31 119.24 3hox h LEU 45 Ca 0.66 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 59.18 3hox h LEU 45 Cb 1.46 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 42.41 3hox h LEU 45 CO -0.88 0.40 -0.11 0.40 -0.34 0.00 0.00 178.44 177.90 3hox h ILE 46 N 0.21 0.32 0.13 4.05 2.04 -0.31 -2.02 117.51 121.93 3hox h ILE 46 Ca 0.08 -0.72 -0.21 0.00 1.00 0.00 0.00 64.86 65.00 3hox h ILE 46 Cb 0.18 1.55 0.02 0.00 -0.74 0.00 0.00 36.82 37.84 3hox h ILE 46 CO -0.01 0.11 -0.90 -0.09 0.00 0.00 0.00 178.15 177.26 3hox h ARG 47 N 0.00 0.38 0.09 2.37 1.12 0.02 -2.93 114.38 115.43 3hox h ARG 47 Ca -0.00 -0.58 -0.00 0.00 -1.11 0.00 0.00 59.98 58.28 3hox h ARG 47 Cb 0.54 0.21 -0.01 0.00 -0.01 0.00 0.00 29.97 30.70 3hox h ARG 47 CO 0.01 1.26 -0.12 0.00 -3.11 0.00 0.00 179.97 178.01 3hox h ALA 48 N 0.15 -0.79 -0.59 2.80 0.00 0.64 -2.82 119.26 118.64 3hox h ALA 48 Ca -0.15 -0.04 0.11 0.00 0.00 0.00 0.00 54.91 54.83 3hox h ALA 48 Cb 1.68 0.42 -0.12 0.00 0.00 0.00 0.00 17.79 19.77 3hox h ALA 48 CO 0.17 -0.81 -0.29 0.93 0.00 0.00 0.00 179.25 179.25 3hox h GLU 49 N -0.22 -0.12 -0.30 0.00 4.39 -1.53 1.01 114.58 117.80 3hox h GLU 49 Ca -0.01 0.01 0.09 0.00 0.34 0.00 0.00 59.36 59.79 3hox h GLU 49 Cb 0.20 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 3hox h GLU 49 CO -0.03 -0.08 0.66 -0.07 -1.16 0.00 0.00 179.01 178.33 3hox h LEU 50 N -0.13 0.00 0.00 1.33 3.38 -1.43 0.77 115.31 119.22 3hox h LEU 50 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 3hox h LEU 50 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 3hox h LEU 50 CO -0.67 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.04 3hox n LEU 51 N -3.10 0.00 -0.09 1.67 4.32 0.35 -3.53 117.00 116.62 3hox n LEU 51 Ca 0.06 0.00 -0.18 0.00 -0.02 0.00 0.00 56.01 55.86 3hox n LEU 51 Cb 0.78 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.52 3hox n LEU 51 CO 0.16 0.00 -1.07 0.59 -1.22 0.00 0.00 177.39 175.86 3hox n ASN 52 N -0.67 1.32 -4.51 -1.43 3.02 0.27 -4.88 115.26 108.38 3hox n ASN 52 Ca 0.08 0.23 -0.38 0.00 -0.03 0.00 0.00 54.58 54.47 3hox n ASN 52 Cb 0.04 -0.54 -0.13 0.00 -0.61 0.00 0.00 39.78 38.53 3hox n ASN 52 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3hox n ASP 53 N -3.85 0.62 0.20 6.41 -0.08 -1.23 -4.68 116.55 113.94 3hox n ASP 53 Ca -0.34 -0.03 0.12 0.00 -1.51 0.00 0.00 54.79 53.03 3hox n ASP 53 Cb 0.72 -1.04 0.63 0.00 2.34 0.00 0.00 41.12 43.77 3hox n ASP 53 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 3hox h ARG 54 N 13.51 0.00 -0.30 -0.67 2.47 -1.89 0.27 114.38 127.77 3hox h ARG 54 Ca -0.08 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.64 3hox h ARG 54 Cb 1.29 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.61 3hox h ARG 54 CO 1.35 0.00 0.00 1.63 0.56 0.00 0.00 179.97 183.51 3hox n LYS 55 N -2.36 1.68 -3.63 0.04 5.02 -1.26 -4.64 118.16 113.01 3hox n LYS 55 Ca -0.02 -1.04 -0.40 0.00 -2.02 0.00 0.00 58.31 54.84 3hox n LYS 55 Cb 0.13 -1.23 -0.10 0.00 -0.02 0.00 0.00 35.03 33.81 3hox n LYS 55 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3hox s VAL 56 N -1.62 3.99 0.30 -0.18 1.01 0.95 -0.93 120.40 123.92 3hox s VAL 56 Ca 0.19 -1.68 0.13 0.00 0.00 0.00 0.00 61.98 60.62 3hox s VAL 56 Cb 0.10 -3.57 0.06 0.00 0.00 0.00 0.00 36.38 32.97 3hox s VAL 56 CO 0.13 -0.64 1.74 -0.07 0.00 0.00 0.00 175.10 176.26 3hox h LEU 57 N 8.34 0.00 -7.28 3.92 3.38 0.75 -3.46 115.31 120.97 3hox h LEU 57 Ca -0.20 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.66 3hox h LEU 57 Cb 1.07 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 41.59 3hox h LEU 57 CO 0.78 0.45 -0.16 0.12 0.09 0.00 0.00 178.44 179.72 3hox s PHE 58 N -3.88 -0.47 -0.28 1.13 5.36 0.19 -4.93 117.98 115.10 3hox s PHE 58 Ca -0.02 1.09 -0.14 0.00 -0.96 0.00 0.00 56.93 56.91 3hox s PHE 58 Cb 0.13 0.18 0.10 0.00 -0.34 0.00 0.00 43.02 43.09 3hox s PHE 58 CO 0.73 -0.29 0.67 0.00 -1.46 0.00 0.00 175.22 174.86 3hox s ALA 59 N -0.09 -1.91 0.22 11.12 0.00 -1.24 0.93 121.76 130.79 3hox s ALA 59 Ca -0.03 2.37 -0.18 0.00 0.00 0.00 0.00 51.96 54.12 3hox s ALA 59 Cb -0.03 -1.54 0.02 0.00 0.00 0.00 0.00 23.12 21.57 3hox s ALA 59 CO 0.02 -0.58 0.56 0.00 0.00 0.00 0.00 175.76 175.75 3hox s ALA 60 N 2.10 -0.92 -0.01 0.00 0.00 -0.60 -4.99 121.76 117.34 3hox s ALA 60 Ca -0.08 -0.30 -0.22 0.00 0.00 0.00 0.00 51.96 51.36 3hox s ALA 60 Cb -0.08 0.89 0.04 0.00 0.00 0.00 0.00 23.12 23.97 3hox s ALA 60 CO -0.19 -0.85 0.48 1.52 0.00 0.00 0.00 175.76 176.71 3hox s TYR 61 N -3.90 -0.39 -0.12 0.00 -0.85 -1.26 -0.89 117.35 109.94 3hox s TYR 61 Ca 0.11 0.59 -0.10 0.00 -0.52 0.00 0.00 57.07 57.15 3hox s TYR 61 Cb -0.02 0.25 0.03 0.00 0.38 0.00 0.00 41.96 42.61 3hox s TYR 61 CO 0.00 -0.52 0.32 -1.59 -1.52 0.00 0.00 175.55 172.24 3hox s LYS 62 N -1.57 0.36 -0.44 -3.49 -2.85 -0.72 -4.99 119.74 106.04 3hox s LYS 62 Ca -0.11 0.46 -0.24 0.00 -1.00 0.00 0.00 55.97 55.09 3hox s LYS 62 Cb -0.02 0.15 0.02 0.00 -2.06 0.00 0.00 37.83 35.92 3hox s LYS 62 CO 0.05 -0.06 0.85 0.14 0.10 0.00 0.00 175.35 176.43 3hox s VAL 63 N 0.31 4.58 0.28 1.79 -7.23 -1.26 -1.75 120.40 117.12 3hox s VAL 63 Ca -0.01 0.65 -0.05 0.00 -1.81 0.00 0.00 61.98 60.76 3hox s VAL 63 Cb -0.03 -4.36 0.41 0.00 0.56 0.00 0.00 36.38 32.96 3hox s VAL 63 CO -0.01 -0.73 1.57 -0.33 -0.31 0.00 0.00 175.10 175.29 3hox h GLU 64 N 8.95 0.01 -1.32 4.82 4.39 -1.88 -3.43 114.58 126.12 3hox h GLU 64 Ca -0.24 -0.00 0.15 0.00 0.34 0.00 0.00 59.36 59.60 3hox h GLU 64 Cb 1.08 -0.00 -0.30 0.00 -0.10 0.00 0.00 28.75 29.43 3hox h GLU 64 CO 0.99 0.01 0.58 -1.58 -1.16 0.00 0.00 179.01 177.85 3hox s HIS 65 N -6.15 -0.32 0.12 4.33 5.04 -1.26 -5.08 115.29 111.97 3hox s HIS 65 Ca -0.14 0.68 -0.22 0.00 -1.54 0.00 0.00 55.06 53.84 3hox s HIS 65 Cb 0.27 0.27 -0.02 0.00 0.04 0.00 0.00 32.58 33.13 3hox s HIS 65 CO 0.77 -0.16 1.14 -0.35 -2.34 0.00 0.00 174.74 173.80 3hox n PRO 66 N 3.01 -0.31 -0.71 2.88 -0.04 -1.26 -1.37 135.00 137.20 3hox n PRO 66 Ca -0.16 1.12 0.53 0.00 -0.04 0.00 0.00 63.50 64.95 3hox n PRO 66 Cb 0.57 -1.64 0.82 0.00 -0.04 0.00 0.00 33.50 33.20 3hox n PRO 66 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3hox n PHE 67 N -4.94 0.00 -4.36 0.54 0.99 -1.26 -4.40 117.46 104.04 3hox n PHE 67 Ca 0.02 0.00 -0.34 0.00 -0.00 0.00 0.00 57.45 57.14 3hox n PHE 67 Cb 0.20 -0.50 -0.13 0.00 -1.00 0.00 0.00 39.48 38.06 3hox n PHE 67 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.76 176.70 3hox s PHE 68 N -4.83 2.96 -0.92 1.38 2.99 -0.47 -5.05 117.98 114.03 3hox s PHE 68 Ca -0.05 -0.53 -0.24 0.00 0.00 0.00 0.00 56.93 56.11 3hox s PHE 68 Cb 0.27 -1.98 -0.01 0.00 0.00 0.00 0.00 43.02 41.30 3hox s PHE 68 CO 0.89 -0.21 1.73 0.00 -0.00 0.00 0.00 175.22 177.63 3hox s ALA 69 N 0.66 2.12 0.00 5.36 0.00 -1.26 -4.69 121.76 123.95 3hox s ALA 69 Ca -0.03 -1.72 0.00 0.00 0.00 0.00 0.00 51.96 50.21 3hox s ALA 69 Cb -0.15 -4.52 0.00 0.00 0.00 0.00 0.00 23.12 18.46 3hox s ALA 69 CO 0.02 -4.26 0.00 2.89 0.00 0.00 0.00 175.76 174.42 3hox n ARG 70 N 8.91 0.00 -3.72 0.00 1.85 -0.99 -1.35 116.66 121.36 3hox n ARG 70 Ca 0.35 0.00 -0.14 0.00 -1.00 0.00 0.00 57.85 57.06 3hox n ARG 70 Cb 0.49 0.00 -0.08 0.00 -1.05 0.00 0.00 32.46 31.82 3hox n ARG 70 CO 0.00 0.00 0.00 -0.59 -0.01 0.00 0.00 177.63 177.03 3hox s PHE 71 N -2.00 -0.23 -0.13 2.89 -0.12 -1.02 -3.82 117.98 113.55 3hox s PHE 71 Ca 0.00 0.33 -0.07 0.00 -0.05 0.00 0.00 56.93 57.14 3hox s PHE 71 Cb 0.00 0.14 -0.04 0.00 -0.63 0.00 0.00 43.02 42.49 3hox s PHE 71 CO 0.00 -0.44 0.13 0.15 -0.05 0.00 0.00 175.22 175.01 3hox s LYS 72 N -1.54 3.49 -0.11 1.99 1.02 -0.72 -1.22 119.74 122.66 3hox s LYS 72 Ca -0.12 -0.15 0.02 0.00 0.02 0.00 0.00 55.97 55.74 3hox s LYS 72 Cb -0.04 -3.20 0.01 0.00 -0.52 0.00 0.00 37.83 34.09 3hox s LYS 72 CO 0.04 0.73 -0.17 -1.17 -0.92 0.00 0.00 175.35 173.85 3hox s LEU 73 N -0.89 1.85 -0.20 3.17 2.96 0.39 -1.75 118.68 124.20 3hox s LEU 73 Ca 0.14 -0.47 -0.03 0.00 -0.22 0.00 0.00 54.13 53.55 3hox s LEU 73 Cb -0.12 -1.19 -0.01 0.00 0.50 0.00 0.00 46.19 45.37 3hox s LEU 73 CO 0.03 0.05 -0.06 -0.60 -1.32 0.00 0.00 176.35 174.45 3hox s ARG 74 N 0.86 3.41 -0.11 1.98 3.52 -0.07 0.42 118.95 128.96 3hox s ARG 74 Ca -0.08 -0.62 0.02 0.00 -0.13 0.00 0.00 55.73 54.91 3hox s ARG 74 Cb -0.15 -2.94 0.01 0.00 -1.56 0.00 0.00 34.95 30.31 3hox s ARG 74 CO -0.00 -0.08 -0.18 0.42 -0.81 0.00 0.00 175.30 174.65 3hox s ILE 75 N 1.17 1.69 -0.09 4.11 1.01 -0.12 -1.56 121.20 127.43 3hox s ILE 75 Ca 0.02 -0.76 0.04 0.00 0.00 0.00 0.00 60.65 59.95 3hox s ILE 75 Cb -0.14 -1.52 -0.00 0.00 0.01 0.00 0.00 42.46 40.81 3hox s ILE 75 CO -0.01 0.48 -0.22 -1.58 0.00 0.00 0.00 174.94 173.60 3hox s GLN 76 N 0.86 2.73 0.15 2.79 0.74 0.27 0.08 119.66 127.27 3hox s GLN 76 Ca -0.08 -0.81 0.05 0.00 0.05 0.00 0.00 55.36 54.57 3hox s GLN 76 Cb -0.15 -2.12 -0.04 0.00 1.10 0.00 0.00 33.01 31.79 3hox s GLN 76 CO -0.00 0.19 -0.11 0.95 -0.55 0.00 0.00 175.29 175.77 3hox s THR 77 N 0.29 1.21 0.58 -0.34 -4.23 -1.08 0.13 115.64 112.20 3hox s THR 77 Ca -0.15 -2.05 -0.19 0.00 -1.18 0.00 0.00 61.69 58.12 3hox s THR 77 Cb -0.17 -1.83 -0.05 0.00 1.34 0.00 0.00 72.50 71.79 3hox s THR 77 CO 0.07 -0.72 1.08 0.35 -0.54 0.00 0.00 174.62 174.86 3hox n THR 78 N -0.16 3.79 -0.87 3.99 -2.24 -0.11 -4.78 114.28 113.90 3hox n THR 78 Ca -0.10 -0.50 -0.34 0.00 -2.27 0.00 0.00 64.05 60.84 3hox n THR 78 Cb 0.60 -1.28 0.09 0.00 -2.10 0.00 0.00 70.33 67.64 3hox n THR 78 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 3hox n GLU 79 N -1.03 -0.19 0.00 -0.78 4.07 -1.26 -2.01 120.64 119.43 3hox n GLU 79 Ca 0.13 -0.03 0.00 0.00 -0.06 0.00 0.00 57.16 57.20 3hox n GLU 79 Cb 0.46 -1.55 0.00 0.00 -0.06 0.00 0.00 31.44 30.29 3hox n GLU 79 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3hox n GLY 80 N 2.22 1.08 3.62 8.31 0.00 -1.26 -4.87 105.19 114.29 3hox n GLY 80 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 3hox n GLY 80 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3hox s TYR 81 N 0.00 3.28 -0.08 1.61 6.04 -0.85 -5.04 117.35 122.31 3hox s TYR 81 Ca 0.00 0.70 -0.22 0.00 0.04 0.00 0.00 57.07 57.59 3hox s TYR 81 Cb 0.00 -2.75 -0.04 0.00 -1.04 0.00 0.00 41.96 38.13 3hox s TYR 81 CO 0.00 -0.28 0.64 0.34 -1.54 0.00 0.00 175.55 174.71 3hox s ASP 82 N 1.49 6.91 0.22 4.32 -1.08 -1.26 -4.54 116.67 122.73 3hox s ASP 82 Ca 0.23 1.09 -0.07 0.00 -0.52 0.00 0.00 52.55 53.28 3hox s ASP 82 Cb -0.16 -2.38 0.35 0.00 -1.46 0.00 0.00 42.92 39.27 3hox s ASP 82 CO 0.09 -0.07 1.75 1.55 0.52 0.00 0.00 175.17 179.01 3hox h PRO 83 N 6.68 0.48 -0.82 4.34 0.13 -1.93 -1.52 132.00 139.36 3hox h PRO 83 Ca -0.41 -0.03 0.20 0.00 -0.87 0.00 0.00 66.00 64.88 3hox h PRO 83 Cb 1.19 -0.11 -0.15 0.00 0.13 0.00 0.00 31.00 32.07 3hox h PRO 83 CO 0.75 0.32 -0.01 0.87 -0.23 0.00 0.00 178.00 179.70 3hox h LYS 84 N 0.50 0.08 0.01 0.86 1.57 -1.95 0.61 116.57 118.25 3hox h LYS 84 Ca 0.35 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.13 3hox h LYS 84 Cb 0.44 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.73 3hox h LYS 84 CO -0.31 0.05 -0.01 -0.44 -0.57 0.00 0.00 179.45 178.17 3hox h ASP 85 N 0.08 -0.01 -0.81 0.86 3.32 -1.70 -1.40 116.42 116.76 3hox h ASP 85 Ca 0.46 -0.10 0.20 0.00 0.02 0.00 0.00 57.03 57.61 3hox h ASP 85 Cb 0.84 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.26 3hox h ASP 85 CO -0.75 0.09 0.14 0.00 -1.72 0.00 0.00 179.24 177.01 3hox h ALA 86 N 0.88 1.04 0.74 3.45 0.00 0.40 0.33 119.26 126.09 3hox h ALA 86 Ca -0.00 0.22 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 3hox h ALA 86 Cb 0.11 0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 3hox h ALA 86 CO 0.00 -0.42 -0.44 1.25 0.00 0.00 0.00 179.25 179.64 3hox h LEU 87 N 0.19 -1.12 -0.41 0.00 5.85 -0.38 -2.75 115.31 116.69 3hox h LEU 87 Ca 0.47 0.06 0.04 0.00 0.84 0.00 0.00 57.88 59.29 3hox h LEU 87 Cb 0.89 0.32 -0.05 0.00 0.37 0.00 0.00 40.66 42.19 3hox h LEU 87 CO -0.63 -0.69 -0.24 0.29 -0.34 0.00 0.00 178.44 176.83 3hox n LYS 88 N -5.25 -0.18 0.00 1.25 5.02 0.98 -1.76 118.16 118.21 3hox n LYS 88 Ca -0.14 0.91 0.00 0.00 -2.02 0.00 0.00 58.31 57.06 3hox n LYS 88 Cb 0.46 -1.35 0.00 0.00 -0.02 0.00 0.00 35.03 34.12 3hox n LYS 88 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3hox n ASN 89 N -3.98 0.00 0.01 4.39 3.02 -0.19 -0.98 115.26 117.52 3hox n ASN 89 Ca 0.01 0.94 0.18 0.00 -0.03 0.00 0.00 54.58 55.68 3hox n ASN 89 Cb 0.11 -0.44 0.36 0.00 -0.61 0.00 0.00 39.78 39.19 3hox n ASN 89 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hox h ALA 90 N -1.50 2.51 0.28 5.41 0.00 -1.16 0.75 119.26 125.55 3hox h ALA 90 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3hox h ALA 90 Cb 0.00 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3hox h ALA 90 CO 0.00 -1.34 -0.13 0.00 0.00 0.00 0.00 179.25 177.77 3hox h ASN 92 N -0.74 -1.82 -0.91 0.00 2.35 0.10 0.41 115.58 114.96 3hox h ASN 92 Ca -0.04 0.25 0.09 0.00 -0.55 0.00 0.00 56.30 56.05 3hox h ASN 92 Cb 0.29 0.76 -0.12 0.00 0.05 0.00 0.00 38.32 39.30 3hox h ASN 92 CO 0.06 -0.38 -0.51 -0.24 -1.65 0.00 0.00 177.43 174.71 3hox n SER 93 N -5.37 -0.91 -0.28 5.81 2.88 -0.23 0.14 113.62 115.66 3hox n SER 93 Ca -0.02 1.62 0.10 0.00 -1.33 0.00 0.00 58.87 59.24 3hox n SER 93 Cb 0.34 -0.24 0.25 0.00 -0.75 0.00 0.00 64.21 63.81 3hox n SER 93 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 3hox h ILE 94 N 0.00 0.47 0.57 2.46 2.04 -0.57 0.15 117.51 122.64 3hox h ILE 94 Ca 0.17 -0.11 -0.03 0.00 1.00 0.00 0.00 64.86 65.89 3hox h ILE 94 Cb 0.40 0.12 0.01 0.00 -0.74 0.00 0.00 36.82 36.61 3hox h ILE 94 CO -0.87 0.06 -0.28 0.40 0.00 0.00 0.00 178.15 177.47 3hox h ILE 95 N 0.33 0.00 -0.97 -0.67 2.04 0.23 -2.15 117.51 116.30 3hox h ILE 95 Ca 0.50 -0.20 0.19 0.00 1.00 0.00 0.00 64.86 66.34 3hox h ILE 95 Cb 0.91 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 36.80 3hox h ILE 95 CO -0.54 0.00 -0.26 0.78 0.00 0.00 0.00 178.15 178.13 3hox h ASN 96 N -0.97 -0.97 -0.20 1.72 4.21 0.63 0.57 115.58 120.57 3hox h ASN 96 Ca -0.08 0.29 0.03 0.00 1.21 0.00 0.00 56.30 57.76 3hox h ASN 96 Cb 0.59 0.62 -0.03 0.00 -1.12 0.00 0.00 38.32 38.38 3hox h ASN 96 CO 0.13 -0.32 -0.01 0.11 -1.29 0.00 0.00 177.43 176.05 3hox h LYS 97 N -0.00 0.04 -0.60 0.81 1.57 -0.74 -1.79 116.57 115.86 3hox h LYS 97 Ca 0.45 -0.00 0.03 0.00 -1.87 0.00 0.00 60.65 59.26 3hox h LYS 97 Cb 0.70 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.96 3hox h LYS 97 CO -1.00 0.03 0.37 -0.07 -0.57 0.00 0.00 179.45 178.21 3hox h LEU 98 N 0.04 0.60 -0.21 2.94 3.38 0.59 0.10 115.31 122.76 3hox h LEU 98 Ca 0.09 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.12 3hox h LEU 98 Cb 0.13 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 40.68 3hox h LEU 98 CO -0.17 0.42 -0.27 1.23 0.09 0.00 0.00 178.44 179.74 3hox h GLY 99 N 0.72 -0.25 0.61 0.83 0.00 0.42 0.67 103.07 106.08 3hox h GLY 99 Ca 0.24 0.33 -0.02 0.00 0.00 0.00 0.00 47.33 47.88 3hox h GLY 99 CO -0.10 -0.21 -0.51 0.00 0.00 0.00 0.00 176.54 175.73 3hox h ALA 100 N 0.68 -1.19 -0.56 3.60 0.00 -0.84 0.10 119.26 121.04 3hox h ALA 100 Ca 0.13 -0.21 0.16 0.00 0.00 0.00 0.00 54.91 54.99 3hox h ALA 100 Cb 0.49 0.70 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 3hox h ALA 100 CO -0.38 -1.20 0.61 1.25 0.00 0.00 0.00 179.25 179.53 3hox h LEU 101 N -1.08 0.00 0.22 0.00 6.46 -0.02 0.15 115.31 121.04 3hox h LEU 101 Ca -0.08 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.67 3hox h LEU 101 Cb 0.91 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.85 3hox h LEU 101 CO -0.01 0.00 -0.11 0.50 -0.62 0.00 0.00 178.44 178.20 3hox h LYS 102 N 0.00 -0.29 -0.65 1.25 3.64 0.13 -2.61 116.57 118.05 3hox h LYS 102 Ca 0.27 0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.73 3hox h LYS 102 Cb 1.49 0.07 -0.08 0.00 -0.41 0.00 0.00 32.23 33.29 3hox h LYS 102 CO -0.00 -0.19 -0.45 1.15 -2.27 0.00 0.00 179.45 177.69 3hox h THR 103 N -1.02 0.00 -0.98 1.00 2.02 0.99 -1.13 112.91 113.79 3hox h THR 103 Ca -0.03 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.30 3hox h THR 103 Cb 0.23 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.54 3hox h THR 103 CO 0.05 0.00 0.60 0.78 0.37 0.00 0.00 175.52 177.32 3hox h ASN 104 N -0.08 0.82 0.46 4.18 4.21 -0.94 0.15 115.58 124.39 3hox h ASN 104 Ca 0.11 0.07 -0.07 0.00 1.21 0.00 0.00 56.30 57.61 3hox h ASN 104 Cb 0.35 -0.08 -0.01 0.00 -1.12 0.00 0.00 38.32 37.46 3hox h ASN 104 CO -0.66 0.38 -0.35 0.15 -1.29 0.00 0.00 177.43 175.66 3hox h PHE 105 N 0.86 0.00 -0.01 1.19 3.57 -0.83 -2.35 116.94 119.36 3hox h PHE 105 Ca 0.52 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 62.00 3hox h PHE 105 Cb 0.66 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.41 3hox h PHE 105 CO -0.02 0.35 -0.08 0.93 -2.23 0.00 0.00 178.31 177.27 3hox h GLU 106 N 0.00 0.08 0.00 1.11 5.08 -0.05 -2.09 114.58 118.71 3hox h GLU 106 Ca -0.00 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3hox h GLU 106 Cb 0.67 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.94 3hox h GLU 106 CO 0.05 0.74 0.00 2.41 -1.00 0.00 0.00 179.01 181.21 3hox n THR 107 N -4.68 0.00 -0.38 1.13 -1.04 -0.32 -0.90 114.28 108.09 3hox n THR 107 Ca -0.09 1.47 -0.09 0.00 -2.04 0.00 0.00 64.05 63.30 3hox n THR 107 Cb 0.38 -2.03 -0.07 0.00 -1.82 0.00 0.00 70.33 66.79 3hox n THR 107 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3hox n GLU 108 N -2.75 -0.37 -0.31 -2.82 -0.58 -0.90 -1.21 120.64 111.70 3hox n GLU 108 Ca 0.00 1.38 0.08 0.00 -0.42 0.00 0.00 57.16 58.20 3hox n GLU 108 Cb 0.00 -2.03 0.25 0.00 -0.57 0.00 0.00 31.44 29.09 3hox n GLU 108 CO 0.00 0.00 0.00 2.35 -0.48 0.00 0.00 177.13 179.00 3hox h TRP 109 N 0.00 0.84 -0.59 -0.32 2.91 -0.54 -2.09 115.95 116.17 3hox h TRP 109 Ca 0.17 0.03 -0.09 0.00 1.13 0.00 0.00 58.89 60.13 3hox h TRP 109 Cb 0.40 -0.24 -0.02 0.00 -0.51 0.00 0.00 29.16 28.79 3hox h TRP 109 CO -0.91 0.20 0.01 -0.91 -1.03 0.00 0.00 178.44 175.80 3hox h ASN 110 N 0.66 1.01 0.00 2.65 2.35 0.45 -2.36 115.58 120.35 3hox h ASN 110 Ca 0.49 -0.30 0.00 0.00 -0.55 0.00 0.00 56.30 55.94 3hox h ASN 110 Cb 0.70 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.80 3hox h ASN 110 CO -0.37 1.07 0.00 0.18 -1.65 0.00 0.00 177.43 176.66 3hox n LEU 111 N -4.22 0.49 -4.82 1.61 4.77 -0.79 -4.79 117.00 109.26 3hox n LEU 111 Ca 0.03 -0.25 -0.24 0.00 -0.03 0.00 0.00 56.01 55.52 3hox n LEU 111 Cb 0.34 -0.25 -0.05 0.00 -2.33 0.00 0.00 43.42 41.13 3hox n LEU 111 CO 0.44 0.12 -0.07 -1.10 -1.33 0.00 0.00 177.39 175.46 3hox s GLN 112 N -1.19 2.34 0.21 3.23 -1.52 -0.89 -5.07 119.66 116.76 3hox s GLN 112 Ca 0.00 -1.78 -0.01 0.00 -1.95 0.00 0.00 55.36 51.62 3hox s GLN 112 Cb 0.00 -2.13 -0.04 0.00 -0.22 0.00 0.00 33.01 30.62 3hox s GLN 112 CO 0.00 -0.24 0.13 0.99 -0.25 0.00 0.00 175.29 175.92 3hox s THR 113 N -2.59 0.04 0.00 -0.19 2.01 -1.26 -5.09 115.64 108.56 3hox s THR 113 Ca 0.41 -2.00 0.00 0.00 0.31 0.00 0.00 61.69 60.41 3hox s THR 113 Cb 0.00 -2.51 0.00 0.00 0.01 0.00 0.00 72.50 70.00 3hox s THR 113 CO 0.24 0.00 0.00 -0.11 -0.69 0.00 0.00 174.62 174.06