#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uh6 n LYS 2 N 0.00 0.00 0.00 3.17 5.02 -1.26 -4.83 118.16 120.26 1uh6 n LYS 2 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1uh6 n LYS 2 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1uh6 n LYS 2 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1uh6 n GLY 3 N 0.00 0.36 3.45 0.72 0.00 -1.26 -5.10 105.19 103.36 1uh6 n GLY 3 Ca 0.00 -2.25 0.03 0.00 0.00 0.00 0.00 46.02 43.81 1uh6 n GLY 3 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1uh6 s SER 4 N -4.00 -0.01 -1.02 1.61 0.15 -1.26 -5.09 113.70 104.09 1uh6 s SER 4 Ca 0.00 0.01 -0.23 0.00 0.70 0.00 0.00 55.95 56.43 1uh6 s SER 4 Cb 0.00 1.01 0.03 0.00 -1.71 0.00 0.00 66.02 65.35 1uh6 s SER 4 CO 0.00 -0.00 1.55 -0.44 1.20 0.00 0.00 173.24 175.55 1uh6 s SER 5 N 1.41 6.30 0.28 5.45 0.01 -1.26 -4.97 113.70 120.92 1uh6 s SER 5 Ca -0.04 -1.39 -0.29 0.00 1.31 0.00 0.00 55.95 55.54 1uh6 s SER 5 Cb -0.01 -2.57 -0.09 0.00 0.21 0.00 0.00 66.02 63.56 1uh6 s SER 5 CO -0.12 -1.70 1.00 -1.38 0.41 0.00 0.00 173.24 171.45 1uh6 s HIS 6 N 5.78 3.76 0.15 2.43 -3.43 -1.26 -4.77 115.29 117.95 1uh6 s HIS 6 Ca 0.50 1.81 0.00 0.00 -0.80 0.00 0.00 55.06 56.57 1uh6 s HIS 6 Cb -0.01 -3.08 0.00 0.00 -1.43 0.00 0.00 32.58 28.06 1uh6 s HIS 6 CO -0.07 0.02 0.00 1.58 -2.00 0.00 0.00 174.74 174.26 1uh6 n HIS 7 N 1.13 -2.86 -2.75 0.38 -0.00 -1.26 -5.11 115.22 104.74 1uh6 n HIS 7 Ca -0.01 0.53 -0.00 0.00 -0.00 0.00 0.00 57.72 58.24 1uh6 n HIS 7 Cb 0.47 1.58 -0.00 0.00 -0.00 0.00 0.00 29.99 32.03 1uh6 n HIS 7 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1uh6 n HIS 8 N -2.88 -3.71 -3.77 1.57 8.25 -1.26 -5.01 115.22 108.41 1uh6 n HIS 8 Ca 0.00 1.69 -0.29 0.00 -0.26 0.00 0.00 57.72 58.86 1uh6 n HIS 8 Cb 0.00 -3.76 -0.16 0.00 1.12 0.00 0.00 29.99 27.20 1uh6 n HIS 8 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1uh6 s HIS 9 N -1.50 1.60 0.37 4.41 3.76 -1.26 -4.90 115.29 117.77 1uh6 s HIS 9 Ca -0.02 -1.46 0.00 0.00 -0.15 0.00 0.00 55.06 53.43 1uh6 s HIS 9 Cb 0.00 -1.48 0.00 0.00 1.11 0.00 0.00 32.58 32.21 1uh6 s HIS 9 CO 0.72 -0.78 0.00 0.72 -0.85 0.00 0.00 174.74 174.55 1uh6 n HIS 10 N 4.88 -4.20 0.00 1.40 8.25 -1.26 -5.04 115.22 119.25 1uh6 n HIS 10 Ca -0.06 1.26 0.00 0.00 -0.26 0.00 0.00 57.72 58.66 1uh6 n HIS 10 Cb 0.44 3.24 0.00 0.00 1.12 0.00 0.00 29.99 34.79 1uh6 n HIS 10 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1uh6 n HIS 11 N -3.25 0.00 -2.28 4.41 -0.00 -1.26 -4.72 115.22 108.11 1uh6 n HIS 11 Ca 0.00 0.00 -0.04 0.00 0.46 0.00 0.00 57.72 58.14 1uh6 n HIS 11 Cb 0.00 0.00 -0.03 0.00 -0.12 0.00 0.00 29.99 29.84 1uh6 n HIS 11 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1uh6 n SER 12 N 2.88 -1.01 -3.85 0.26 2.88 -1.26 -5.06 113.62 108.47 1uh6 n SER 12 Ca 0.00 0.96 -0.20 0.00 -1.33 0.00 0.00 58.87 58.30 1uh6 n SER 12 Cb 0.00 -4.05 -0.17 0.00 -0.75 0.00 0.00 64.21 59.24 1uh6 n SER 12 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1uh6 s SER 13 N -0.51 1.04 0.00 -3.46 0.15 -1.26 -5.04 113.70 104.62 1uh6 s SER 13 Ca -0.20 -0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.35 1uh6 s SER 13 Cb 0.01 -0.41 0.00 0.00 -1.71 0.00 0.00 66.02 63.91 1uh6 s SER 13 CO 0.57 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.52 1uh6 n GLY 14 N 4.36 -0.91 3.30 9.45 0.00 -1.26 -5.13 105.19 114.99 1uh6 n GLY 14 Ca -0.20 -0.95 0.03 0.00 0.00 0.00 0.00 46.02 44.89 1uh6 n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uh6 s ALA 15 N 0.00 -2.98 -0.34 4.61 0.00 -1.26 -5.11 121.76 116.68 1uh6 s ALA 15 Ca 0.00 1.90 -0.08 0.00 0.00 0.00 0.00 51.96 53.78 1uh6 s ALA 15 Cb 0.00 -2.18 0.21 0.00 0.00 0.00 0.00 23.12 21.14 1uh6 s ALA 15 CO 0.00 -1.02 1.10 0.45 0.00 0.00 0.00 175.76 176.29 1uh6 s SER 16 N 2.38 -0.27 -0.04 0.00 0.15 -1.26 -5.17 113.70 109.49 1uh6 s SER 16 Ca -0.01 -0.28 -0.30 0.00 0.70 0.00 0.00 55.95 56.06 1uh6 s SER 16 Cb -0.05 0.35 0.08 0.00 -1.71 0.00 0.00 66.02 64.70 1uh6 s SER 16 CO -0.16 -0.01 0.74 -0.22 1.20 0.00 0.00 173.24 174.78 1uh6 s LEU 17 N 1.21 -0.58 -0.13 3.45 0.20 -1.26 -5.15 118.68 116.41 1uh6 s LEU 17 Ca 0.21 0.54 0.00 0.00 0.69 0.00 0.00 54.13 55.58 1uh6 s LEU 17 Cb 0.11 2.39 0.02 0.00 -0.43 0.00 0.00 46.19 48.28 1uh6 s LEU 17 CO -0.12 -0.60 -0.12 0.54 -0.29 0.00 0.00 176.35 175.76 1uh6 s VAL 18 N -1.56 1.39 -0.07 1.68 0.11 -1.26 -5.03 120.40 115.66 1uh6 s VAL 18 Ca -0.07 -0.53 -0.22 0.00 -2.93 0.00 0.00 61.98 58.23 1uh6 s VAL 18 Cb -0.00 -1.33 -0.18 0.00 -1.53 0.00 0.00 36.38 33.34 1uh6 s VAL 18 CO 0.05 0.43 0.82 1.55 -3.33 0.00 0.00 175.10 174.62 1uh6 h PRO 19 N 8.02 -0.11 -4.64 1.54 0.13 -2.04 -3.50 132.00 131.40 1uh6 h PRO 19 Ca -0.35 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1uh6 h PRO 19 Cb 1.14 0.02 -0.03 0.00 0.13 0.00 0.00 31.00 32.26 1uh6 h PRO 19 CO 0.49 0.44 -1.07 -2.13 -0.23 0.00 0.00 178.00 175.50 1uh6 n ARG 20 N -4.82 -4.83 0.00 0.86 0.00 -1.26 -5.02 116.66 101.59 1uh6 n ARG 20 Ca -0.08 3.56 0.00 0.00 -0.00 0.00 0.00 57.85 61.33 1uh6 n ARG 20 Cb 0.29 -4.60 0.00 0.00 0.00 0.00 0.00 32.46 28.15 1uh6 n ARG 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1uh6 n GLY 21 N 1.72 -2.11 3.65 5.14 0.00 -1.26 -5.12 105.19 107.20 1uh6 n GLY 21 Ca -0.09 0.67 -0.47 0.00 0.00 0.00 0.00 46.02 46.13 1uh6 n GLY 21 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1uh6 n SER 22 N -1.60 2.59 -4.23 1.61 2.88 -1.26 -4.89 113.62 108.72 1uh6 n SER 22 Ca 0.00 1.11 -0.34 0.00 -1.33 0.00 0.00 58.87 58.31 1uh6 n SER 22 Cb 0.00 -1.36 0.10 0.00 -0.75 0.00 0.00 64.21 62.20 1uh6 n SER 22 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1uh6 n GLU 23 N 2.78 -0.55 0.00 -1.46 2.13 -1.26 -5.00 120.64 117.29 1uh6 n GLU 23 Ca 0.16 -0.14 0.00 0.00 0.66 0.00 0.00 57.16 57.84 1uh6 n GLU 23 Cb 0.27 -1.51 0.00 0.00 0.27 0.00 0.00 31.44 30.47 1uh6 n GLU 23 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1uh6 n GLY 24 N 2.36 -0.33 4.00 8.31 0.00 -1.26 -5.00 105.19 113.27 1uh6 n GLY 24 Ca 0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.78 1uh6 n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uh6 n ALA 25 N -2.24 -1.98 -3.30 4.61 0.00 -1.26 -4.93 120.51 111.40 1uh6 n ALA 25 Ca 0.00 -0.28 -0.09 0.00 0.00 0.00 0.00 53.44 53.08 1uh6 n ALA 25 Cb 0.00 -1.48 -0.06 0.00 0.00 0.00 0.00 19.45 17.91 1uh6 n ALA 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1uh6 s ALA 26 N -3.98 -1.25 0.23 0.00 0.00 -1.26 -4.77 121.76 110.73 1uh6 s ALA 26 Ca 0.03 0.24 -0.01 0.00 0.00 0.00 0.00 51.96 52.22 1uh6 s ALA 26 Cb -0.02 -2.10 -0.04 0.00 0.00 0.00 0.00 23.12 20.96 1uh6 s ALA 26 CO 0.90 -1.76 0.43 0.99 0.00 0.00 0.00 175.76 176.32 1uh6 s THR 27 N 2.55 5.17 -0.21 0.00 2.01 -1.26 -4.93 115.64 118.98 1uh6 s THR 27 Ca 0.10 -0.32 -0.11 0.00 0.31 0.00 0.00 61.69 61.66 1uh6 s THR 27 Cb -0.12 -3.75 -0.05 0.00 0.01 0.00 0.00 72.50 68.59 1uh6 s THR 27 CO -0.30 -0.23 0.18 -0.04 -0.69 0.00 0.00 174.62 173.53 1uh6 s MET 28 N -3.46 4.17 -0.01 4.92 -1.94 -1.26 -2.41 119.30 119.31 1uh6 s MET 28 Ca 0.39 -0.17 -0.01 0.00 -1.71 0.00 0.00 55.69 54.20 1uh6 s MET 28 Cb -0.11 -3.46 0.00 0.00 2.01 0.00 0.00 34.83 33.27 1uh6 s MET 28 CO 0.30 0.21 0.02 0.96 -0.01 0.00 0.00 175.02 176.50 1uh6 s ILE 29 N 0.62 0.01 -0.19 2.53 -4.36 0.53 -4.98 121.20 115.36 1uh6 s ILE 29 Ca 0.10 -0.10 -0.07 0.00 -0.26 0.00 0.00 60.65 60.31 1uh6 s ILE 29 Cb -0.12 -0.07 -0.04 0.00 1.25 0.00 0.00 42.46 43.48 1uh6 s ILE 29 CO 0.01 -0.05 0.06 -0.70 0.24 0.00 0.00 174.94 174.50 1uh6 s GLU 30 N -0.15 3.96 0.30 0.37 2.12 -1.26 -1.81 118.70 122.23 1uh6 s GLU 30 Ca -0.02 -0.35 0.07 0.00 0.36 0.00 0.00 54.97 55.03 1uh6 s GLU 30 Cb -0.01 -3.22 -0.03 0.00 0.26 0.00 0.00 34.13 31.13 1uh6 s GLU 30 CO -0.00 0.24 0.26 0.14 -0.54 0.00 0.00 175.26 175.36 1uh6 s VAL 31 N 0.45 3.92 -0.04 3.70 -7.23 -1.00 0.19 120.40 120.39 1uh6 s VAL 31 Ca 0.03 -1.38 0.07 0.00 -1.81 0.00 0.00 61.98 58.89 1uh6 s VAL 31 Cb -0.13 -3.28 -0.01 0.00 0.56 0.00 0.00 36.38 33.52 1uh6 s VAL 31 CO 0.01 -0.25 -0.24 -0.69 -0.31 0.00 0.00 175.10 173.62 1uh6 s VAL 32 N -2.23 1.97 -0.38 1.32 1.01 -0.84 -2.37 120.40 118.87 1uh6 s VAL 32 Ca 0.38 -1.04 -0.02 0.00 0.00 0.00 0.00 61.98 61.30 1uh6 s VAL 32 Cb -0.07 -1.66 0.10 0.00 0.00 0.00 0.00 36.38 34.75 1uh6 s VAL 32 CO 0.26 0.55 0.15 0.00 0.00 0.00 0.00 175.10 176.06 1uh6 s ASN 34 N 1.60 6.20 0.74 0.00 0.01 -0.64 -2.69 114.94 120.16 1uh6 s ASN 34 Ca 0.06 -1.04 -0.02 0.00 -0.71 0.00 0.00 52.86 51.15 1uh6 s ASN 34 Cb -0.22 -2.43 0.13 0.00 0.41 0.00 0.00 41.25 39.15 1uh6 s ASN 34 CO -0.04 -1.44 1.02 1.51 -1.51 0.00 0.00 177.10 176.64 1uh6 s ASP 35 N 3.70 4.25 0.28 -1.22 -4.77 -1.23 -0.42 116.67 117.26 1uh6 s ASP 35 Ca 0.24 -0.30 0.02 0.00 -3.30 0.00 0.00 52.55 49.21 1uh6 s ASP 35 Cb -0.16 -0.06 0.64 0.00 -1.09 0.00 0.00 42.92 42.25 1uh6 s ASP 35 CO 0.09 -1.93 1.75 0.03 0.70 0.00 0.00 175.17 175.81 1uh6 h ARG 36 N -0.62 0.61 0.00 2.11 2.47 -1.94 1.38 114.38 118.39 1uh6 h ARG 36 Ca -0.37 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.31 1uh6 h ARG 36 Cb 1.27 -0.14 0.00 0.00 -1.65 0.00 0.00 29.97 29.45 1uh6 h ARG 36 CO 0.40 0.41 0.00 -0.07 0.56 0.00 0.00 179.97 181.27 1uh6 h LEU 37 N 0.63 0.00 0.00 3.04 3.38 -1.96 -3.44 115.31 116.96 1uh6 h LEU 37 Ca 0.52 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.49 1uh6 h LEU 37 Cb 0.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1uh6 h LEU 37 CO -0.40 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.74 1uh6 n GLY 38 N -1.09 2.07 3.73 0.83 0.00 0.47 -4.98 105.19 106.23 1uh6 n GLY 38 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 1uh6 n GLY 38 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1uh6 s LYS 39 N -0.01 4.19 -0.49 1.61 -2.85 -1.26 -4.68 119.74 116.25 1uh6 s LYS 39 Ca 0.00 2.43 -0.21 0.00 -1.00 0.00 0.00 55.97 57.19 1uh6 s LYS 39 Cb 0.00 -3.12 0.04 0.00 -2.06 0.00 0.00 37.83 32.70 1uh6 s LYS 39 CO 0.00 -0.62 0.72 0.15 0.10 0.00 0.00 175.35 175.70 1uh6 s LYS 40 N 0.78 3.24 -0.68 1.78 1.02 -1.26 -3.53 119.74 121.10 1uh6 s LYS 40 Ca 0.69 -0.52 -0.20 0.00 0.02 0.00 0.00 55.97 55.96 1uh6 s LYS 40 Cb -0.45 -4.03 0.10 0.00 -0.52 0.00 0.00 37.83 32.93 1uh6 s LYS 40 CO 0.35 -1.22 0.85 0.08 -0.92 0.00 0.00 175.35 174.49 1uh6 s VAL 41 N 3.07 4.69 -0.38 3.17 1.01 -1.09 -4.84 120.40 126.03 1uh6 s VAL 41 Ca 0.22 -0.96 -0.24 0.00 0.00 0.00 0.00 61.98 61.00 1uh6 s VAL 41 Cb -0.15 -4.59 0.01 0.00 0.00 0.00 0.00 36.38 31.65 1uh6 s VAL 41 CO 0.17 -1.28 0.82 -0.13 0.00 0.00 0.00 175.10 174.67 1uh6 s ARG 42 N 2.98 3.73 0.00 2.72 0.52 -1.26 -2.40 118.95 125.25 1uh6 s ARG 42 Ca 0.18 0.32 0.08 0.00 -0.52 0.00 0.00 55.73 55.79 1uh6 s ARG 42 Cb -0.18 -3.82 -0.02 0.00 0.52 0.00 0.00 34.95 31.44 1uh6 s ARG 42 CO 0.04 -0.91 -0.24 0.08 0.02 0.00 0.00 175.30 174.29 1uh6 s VAL 43 N 3.22 2.27 -0.07 3.52 1.01 -1.00 -4.97 120.40 124.39 1uh6 s VAL 43 Ca 0.33 -1.16 -0.24 0.00 0.00 0.00 0.00 61.98 60.91 1uh6 s VAL 43 Cb -0.13 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.37 1uh6 s VAL 43 CO 0.18 0.49 0.72 -1.59 0.00 0.00 0.00 175.10 174.90 1uh6 s LYS 44 N -0.91 4.44 0.28 2.72 -2.85 -1.26 -2.37 119.74 119.79 1uh6 s LYS 44 Ca 0.11 0.91 -0.07 0.00 -1.00 0.00 0.00 55.97 55.92 1uh6 s LYS 44 Cb -0.10 -3.45 -0.01 0.00 -2.06 0.00 0.00 37.83 32.21 1uh6 s LYS 44 CO 0.01 0.05 0.43 0.00 0.10 0.00 0.00 175.35 175.93 1uh6 s ASN 46 N -3.12 2.78 0.35 0.00 0.01 -1.26 -0.35 114.94 113.36 1uh6 s ASN 46 Ca 0.28 -1.11 0.26 0.00 -0.71 0.00 0.00 52.86 51.58 1uh6 s ASN 46 Cb 0.01 -0.17 1.19 0.00 0.41 0.00 0.00 41.25 42.68 1uh6 s ASN 46 CO 0.13 -0.24 1.79 0.71 -1.51 0.00 0.00 177.10 177.99 1uh6 h THR 47 N 2.38 0.00 0.00 1.60 1.35 -1.83 -1.38 112.91 115.03 1uh6 h THR 47 Ca -0.39 -0.22 -0.13 0.00 -0.55 0.00 0.00 66.41 65.12 1uh6 h THR 47 Cb 1.23 0.97 -0.02 0.00 -1.73 0.00 0.00 68.15 68.60 1uh6 h THR 47 CO 0.64 0.00 -0.61 -2.24 -0.25 0.00 0.00 175.52 173.07 1uh6 h ASP 48 N 0.00 0.00 -3.62 5.36 3.04 -1.86 -3.34 116.42 116.00 1uh6 h ASP 48 Ca 0.00 0.00 -0.51 0.00 -3.24 0.00 0.00 57.03 53.28 1uh6 h ASP 48 Cb 0.29 0.00 -0.03 0.00 -1.04 0.00 0.00 39.33 38.56 1uh6 h ASP 48 CO 0.00 0.61 0.17 -1.81 -2.04 0.00 0.00 179.24 176.17 1uh6 s ASP 49 N -6.65 7.18 0.27 4.15 1.01 -0.52 -4.99 116.67 117.12 1uh6 s ASP 49 Ca 0.00 1.55 0.00 0.00 0.71 0.00 0.00 52.55 54.82 1uh6 s ASP 49 Cb 0.11 -2.47 -0.04 0.00 1.01 0.00 0.00 42.92 41.53 1uh6 s ASP 49 CO 0.75 0.05 0.46 0.42 0.21 0.00 0.00 175.17 177.06 1uh6 s THR 50 N -1.46 5.16 0.32 -1.27 -4.23 -1.26 -3.77 115.64 109.14 1uh6 s THR 50 Ca 0.43 -0.48 0.08 0.00 -1.18 0.00 0.00 61.69 60.53 1uh6 s THR 50 Cb -0.18 -3.80 0.40 0.00 1.34 0.00 0.00 72.50 70.25 1uh6 s THR 50 CO 0.23 -0.36 1.55 -0.38 -0.54 0.00 0.00 174.62 175.12 1uh6 n ILE 51 N -1.23 -0.41 0.00 2.99 2.08 0.51 0.76 119.36 124.05 1uh6 n ILE 51 Ca -0.05 2.12 -0.11 0.00 0.56 0.00 0.00 62.75 65.27 1uh6 n ILE 51 Cb 0.55 -3.20 -0.04 0.00 -0.75 0.00 0.00 39.64 36.20 1uh6 n ILE 51 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 1uh6 h GLY 52 N 0.00 -0.45 0.90 7.39 0.00 0.11 0.38 103.07 111.40 1uh6 h GLY 52 Ca 0.67 0.40 0.05 0.00 0.00 0.00 0.00 47.33 48.45 1uh6 h GLY 52 CO -0.88 -0.22 0.61 -0.55 0.00 0.00 0.00 176.54 175.50 1uh6 h ASP 53 N -0.40 0.98 0.28 0.19 5.19 0.13 -1.69 116.42 121.11 1uh6 h ASP 53 Ca 0.10 -0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.49 1uh6 h ASP 53 Cb 0.55 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.84 1uh6 h ASP 53 CO -0.36 0.65 -0.18 0.25 -3.12 0.00 0.00 179.24 176.49 1uh6 h LEU 54 N 1.13 -0.46 -0.68 1.55 5.85 0.76 -1.53 115.31 121.92 1uh6 h LEU 54 Ca 0.38 0.03 0.15 0.00 0.84 0.00 0.00 57.88 59.28 1uh6 h LEU 54 Cb 0.09 0.14 -0.11 0.00 0.37 0.00 0.00 40.66 41.15 1uh6 h LEU 54 CO -0.13 -0.29 0.11 0.11 -0.34 0.00 0.00 178.44 177.90 1uh6 h LYS 55 N -0.45 0.21 0.12 1.25 1.57 0.35 0.91 116.57 120.53 1uh6 h LYS 55 Ca -0.03 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1uh6 h LYS 55 Cb 0.38 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.60 1uh6 h LYS 55 CO 0.02 0.14 -0.45 0.87 -0.57 0.00 0.00 179.45 179.46 1uh6 h LYS 56 N 0.21 -0.66 -0.10 3.15 1.57 -0.77 0.18 116.57 120.15 1uh6 h LYS 56 Ca 0.38 0.04 0.03 0.00 -1.87 0.00 0.00 60.65 59.23 1uh6 h LYS 56 Cb 0.62 0.15 -0.06 0.00 0.08 0.00 0.00 32.23 33.02 1uh6 h LYS 56 CO -0.51 -0.44 -0.49 -0.07 -0.57 0.00 0.00 179.45 177.38 1uh6 h LEU 57 N -0.68 -1.52 -0.62 2.94 3.38 -0.14 0.36 115.31 119.02 1uh6 h LEU 57 Ca 0.02 0.19 0.06 0.00 0.09 0.00 0.00 57.88 58.24 1uh6 h LEU 57 Cb 0.70 0.60 -0.10 0.00 0.09 0.00 0.00 40.66 41.96 1uh6 h LEU 57 CO -0.26 -0.47 -0.57 0.40 0.09 0.00 0.00 178.44 177.63 1uh6 h ILE 58 N -0.56 0.00 -0.75 1.22 2.04 -0.41 1.82 117.51 120.86 1uh6 h ILE 58 Ca 0.05 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.11 1uh6 h ILE 58 Cb 0.67 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.71 1uh6 h ILE 58 CO -0.40 0.00 0.53 0.00 0.00 0.00 0.00 178.15 178.27 1uh6 h ALA 59 N 0.15 2.51 -0.10 1.87 0.00 0.17 1.55 119.26 125.42 1uh6 h ALA 59 Ca 0.10 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.82 1uh6 h ALA 59 Cb 0.53 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.35 1uh6 h ALA 59 CO -0.72 -0.73 -0.63 0.00 0.00 0.00 0.00 179.25 177.17 1uh6 h ALA 60 N 1.64 0.21 -0.03 0.00 0.00 0.62 0.52 119.26 122.21 1uh6 h ALA 60 Ca 0.37 -0.55 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1uh6 h ALA 60 Cb 1.26 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 1uh6 h ALA 60 CO -0.05 0.48 -0.05 1.96 0.00 0.00 0.00 179.25 181.59 1uh6 h GLN 61 N 0.23 0.10 0.53 0.00 1.08 0.58 -3.35 115.11 114.28 1uh6 h GLN 61 Ca -0.05 -0.06 -0.03 0.00 -1.45 0.00 0.00 58.65 57.06 1uh6 h GLN 61 Cb 1.28 0.01 0.01 0.00 -0.05 0.00 0.00 27.48 28.72 1uh6 h GLN 61 CO 0.13 0.61 -0.25 1.79 -0.95 0.00 0.00 178.83 180.16 1uh6 h THR 62 N -0.41 0.05 0.00 -0.54 1.35 0.19 -3.48 112.91 110.07 1uh6 h THR 62 Ca 0.00 -0.48 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 1uh6 h THR 62 Cb 0.60 0.08 0.00 0.00 -1.73 0.00 0.00 68.15 67.10 1uh6 h THR 62 CO 0.01 0.01 0.00 0.61 -0.25 0.00 0.00 175.52 175.90 1uh6 n GLY 63 N -0.07 1.31 0.00 5.82 0.00 0.18 -5.05 105.19 107.38 1uh6 n GLY 63 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1uh6 n GLY 63 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1uh6 n THR 64 N 0.00 0.00 -4.58 2.61 -2.24 -1.05 -4.89 114.28 104.13 1uh6 n THR 64 Ca 0.00 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.55 1uh6 n THR 64 Cb 0.00 0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 68.09 1uh6 n THR 64 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1uh6 s ARG 65 N 0.00 1.22 0.64 -0.78 0.52 -1.26 -4.72 118.95 114.57 1uh6 s ARG 65 Ca 0.00 -0.80 0.41 0.00 -0.52 0.00 0.00 55.73 54.82 1uh6 s ARG 65 Cb 0.00 -1.27 2.18 0.00 0.52 0.00 0.00 34.95 36.39 1uh6 s ARG 65 CO 0.00 0.33 2.30 0.11 0.02 0.00 0.00 175.30 178.05 1uh6 h TRP 66 N 5.09 0.00 -0.59 -0.53 5.08 -1.85 0.50 115.95 123.65 1uh6 h TRP 66 Ca -0.39 0.00 -0.04 0.00 1.08 0.00 0.00 58.89 59.54 1uh6 h TRP 66 Cb 1.16 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 27.30 1uh6 h TRP 66 CO 0.49 0.01 0.05 0.27 -1.28 0.00 0.00 178.44 177.97 1uh6 n ASN 67 N -3.21 5.51 -1.21 0.11 6.94 -1.26 -3.96 115.26 118.18 1uh6 n ASN 67 Ca -0.02 -2.96 0.03 0.00 -0.02 0.00 0.00 54.58 51.61 1uh6 n ASN 67 Cb 0.11 -0.69 0.03 0.00 -2.36 0.00 0.00 39.78 36.87 1uh6 n ASN 67 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1uh6 n LYS 68 N 0.49 0.14 -3.81 -3.83 5.02 0.17 -4.75 118.16 111.60 1uh6 n LYS 68 Ca 0.29 -1.91 -0.25 0.00 -2.02 0.00 0.00 58.31 54.42 1uh6 n LYS 68 Cb 1.21 -0.25 -0.17 0.00 -0.02 0.00 0.00 35.03 35.81 1uh6 n LYS 68 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1uh6 s ILE 69 N -0.29 0.62 -0.17 -0.18 1.01 -1.18 -3.17 121.20 117.83 1uh6 s ILE 69 Ca 0.28 -0.16 -0.01 0.00 0.00 0.00 0.00 60.65 60.76 1uh6 s ILE 69 Cb 0.31 -0.81 -0.00 0.00 0.01 0.00 0.00 42.46 41.97 1uh6 s ILE 69 CO -0.13 0.19 -0.12 -0.69 0.00 0.00 0.00 174.94 174.20 1uh6 s VAL 70 N 1.86 2.89 -0.31 2.92 1.01 0.50 -4.95 120.40 124.32 1uh6 s VAL 70 Ca 0.04 -0.68 -0.07 0.00 0.00 0.00 0.00 61.98 61.27 1uh6 s VAL 70 Cb -0.13 -2.25 0.02 0.00 0.00 0.00 0.00 36.38 34.01 1uh6 s VAL 70 CO -0.07 0.49 0.09 -0.76 0.00 0.00 0.00 175.10 174.85 1uh6 s LEU 71 N 1.01 3.97 0.20 3.92 2.01 -1.26 -0.78 118.68 127.75 1uh6 s LEU 71 Ca -0.01 -0.80 0.11 0.00 0.01 0.00 0.00 54.13 53.44 1uh6 s LEU 71 Cb -0.15 -1.88 -0.04 0.00 0.01 0.00 0.00 46.19 44.13 1uh6 s LEU 71 CO -0.02 -0.22 -0.23 -0.54 1.01 0.00 0.00 176.35 176.35 1uh6 s LYS 72 N 1.48 1.51 -0.32 1.70 1.02 -0.62 -2.34 119.74 122.18 1uh6 s LYS 72 Ca 0.02 -1.55 0.00 0.00 0.02 0.00 0.00 55.97 54.46 1uh6 s LYS 72 Cb -0.18 -1.77 0.10 0.00 -0.52 0.00 0.00 37.83 35.47 1uh6 s LYS 72 CO 0.03 0.37 0.09 0.21 -0.92 0.00 0.00 175.35 175.13 1uh6 s LYS 73 N -2.83 0.90 0.00 1.68 2.47 0.31 -0.25 119.74 122.02 1uh6 s LYS 73 Ca 0.22 -1.28 0.00 0.00 -1.56 0.00 0.00 55.97 53.34 1uh6 s LYS 73 Cb -0.07 -2.28 0.00 0.00 -1.46 0.00 0.00 37.83 34.02 1uh6 s LYS 73 CO 0.10 -0.98 0.00 0.91 0.16 0.00 0.00 175.35 175.54 1uh6 n TRP 74 N 4.68 0.00 0.00 4.03 7.02 -1.26 -1.79 117.44 130.12 1uh6 n TRP 74 Ca -0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 1uh6 n TRP 74 Cb 0.42 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.31 1uh6 n TRP 74 CO 0.00 0.00 0.00 0.98 -2.02 0.00 0.00 177.69 176.65 1uh6 n TYR 75 N 0.00 0.00 -1.90 -5.99 4.19 -1.26 -5.08 117.16 107.11 1uh6 n TYR 75 Ca 0.00 0.00 -0.39 0.00 3.31 0.00 0.00 57.90 60.82 1uh6 n TYR 75 Cb 0.00 0.12 0.02 0.00 0.49 0.00 0.00 39.34 39.97 1uh6 n TYR 75 CO 0.00 0.00 0.00 0.99 0.91 0.00 0.00 176.86 178.76 1uh6 s THR 76 N -1.53 2.32 0.04 2.97 2.01 -0.74 -5.01 115.64 115.70 1uh6 s THR 76 Ca 0.00 0.26 0.02 0.00 0.31 0.00 0.00 61.69 62.28 1uh6 s THR 76 Cb 0.00 -3.14 -0.04 0.00 0.01 0.00 0.00 72.50 69.33 1uh6 s THR 76 CO 0.00 0.01 0.05 -0.63 -0.69 0.00 0.00 174.62 173.36 1uh6 s ILE 77 N -1.31 4.44 -0.38 1.82 1.09 -1.26 -0.53 121.20 125.06 1uh6 s ILE 77 Ca 0.66 -0.64 -0.15 0.00 -1.10 0.00 0.00 60.65 59.41 1uh6 s ILE 77 Cb -0.39 -3.06 0.01 0.00 -1.06 0.00 0.00 42.46 37.95 1uh6 s ILE 77 CO 0.48 0.26 0.33 -0.36 -0.10 0.00 0.00 174.94 175.54 1uh6 s PHE 78 N -1.24 3.22 1.37 3.97 0.40 -0.99 -4.96 117.98 119.74 1uh6 s PHE 78 Ca 0.24 -0.35 -0.22 0.00 -0.60 0.00 0.00 56.93 56.01 1uh6 s PHE 78 Cb -0.12 -2.65 0.34 0.00 0.51 0.00 0.00 43.02 41.10 1uh6 s PHE 78 CO 0.16 -0.53 0.77 1.63 0.70 0.00 0.00 175.22 177.95 1uh6 n LYS 79 N 5.29 -4.16 0.02 0.44 4.76 -1.26 -4.76 118.16 118.49 1uh6 n LYS 79 Ca -0.10 -1.29 -0.18 0.00 -2.87 0.00 0.00 58.31 53.87 1uh6 n LYS 79 Cb 0.48 -1.80 -0.14 0.00 -1.84 0.00 0.00 35.03 31.73 1uh6 n LYS 79 CO 0.00 0.00 0.00 0.38 -1.37 0.00 0.00 177.40 176.41 1uh6 h ASP 80 N -3.48 0.34 -1.44 4.39 3.04 -1.97 -3.37 116.42 113.93 1uh6 h ASP 80 Ca -0.35 -0.66 -0.68 0.00 -3.24 0.00 0.00 57.03 52.09 1uh6 h ASP 80 Cb 1.18 -0.11 -0.19 0.00 -1.04 0.00 0.00 39.33 39.17 1uh6 h ASP 80 CO 0.21 1.59 1.34 0.00 -2.04 0.00 0.00 179.24 180.34 1uh6 n HIS 81 N -3.39 2.37 -3.92 4.15 1.44 -1.26 0.15 115.22 114.75 1uh6 n HIS 81 Ca -0.25 -2.43 -0.28 0.00 -2.01 0.00 0.00 57.72 52.76 1uh6 n HIS 81 Cb 1.05 -1.49 -0.17 0.00 0.12 0.00 0.00 29.99 29.51 1uh6 n HIS 81 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 1uh6 s VAL 82 N -2.63 1.15 0.39 0.61 1.01 -1.26 -4.93 120.40 114.74 1uh6 s VAL 82 Ca 0.53 -0.47 -0.16 0.00 0.00 0.00 0.00 61.98 61.88 1uh6 s VAL 82 Cb 0.28 -1.20 -0.09 0.00 0.00 0.00 0.00 36.38 35.37 1uh6 s VAL 82 CO -0.19 0.30 0.83 -0.94 0.00 0.00 0.00 175.10 175.10 1uh6 s SER 83 N 1.64 6.77 0.60 3.32 1.04 -1.26 0.19 113.70 126.00 1uh6 s SER 83 Ca 0.03 1.41 0.32 0.00 0.48 0.00 0.00 55.95 58.19 1uh6 s SER 83 Cb -0.14 -2.43 1.88 0.00 0.10 0.00 0.00 66.02 65.43 1uh6 s SER 83 CO -0.08 -0.32 2.24 -0.07 0.98 0.00 0.00 173.24 175.99 1uh6 h LEU 84 N 1.85 0.00 0.00 2.42 -0.00 -1.68 0.45 115.31 118.35 1uh6 h LEU 84 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.40 1uh6 h LEU 84 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.84 1uh6 h LEU 84 CO 0.63 0.00 -0.05 0.61 -0.00 0.00 0.00 178.44 179.63 1uh6 n GLY 85 N -1.30 -1.63 0.08 0.83 0.00 -1.26 -0.72 105.19 101.19 1uh6 n GLY 85 Ca -0.02 -0.06 -0.15 0.00 0.00 0.00 0.00 46.02 45.78 1uh6 n GLY 85 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1uh6 h ASP 86 N 0.00 0.07 0.25 1.61 3.32 -0.45 -3.29 116.42 117.93 1uh6 h ASP 86 Ca 0.00 -0.98 0.00 0.00 0.02 0.00 0.00 57.03 56.07 1uh6 h ASP 86 Cb 0.68 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.21 1uh6 h ASP 86 CO 0.00 1.07 -0.08 -1.22 -1.72 0.00 0.00 179.24 177.29 1uh6 n TYR 87 N -4.53 0.00 -1.75 4.55 4.01 -1.09 -4.89 117.16 113.45 1uh6 n TYR 87 Ca -0.11 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.47 1uh6 n TYR 87 Cb 0.54 -0.13 -0.05 0.00 -0.31 0.00 0.00 39.34 39.39 1uh6 n TYR 87 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1uh6 n GLU 88 N -0.79 -1.14 -1.51 -0.72 -0.58 -0.64 -4.93 120.64 110.34 1uh6 n GLU 88 Ca 0.16 0.94 -0.38 0.00 -0.42 0.00 0.00 57.16 57.46 1uh6 n GLU 88 Cb 0.26 -5.17 0.04 0.00 -0.57 0.00 0.00 31.44 26.00 1uh6 n GLU 88 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 1uh6 n ILE 89 N -3.07 2.60 -4.22 -3.67 5.41 0.11 -4.99 119.36 111.53 1uh6 n ILE 89 Ca -0.17 -0.50 -0.26 0.00 1.00 0.00 0.00 62.75 62.82 1uh6 n ILE 89 Cb 0.56 -0.80 -0.08 0.00 -0.71 0.00 0.00 39.64 38.60 1uh6 n ILE 89 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 1uh6 s HIS 90 N -1.64 2.81 -0.53 1.39 3.76 -1.26 -4.84 115.29 114.97 1uh6 s HIS 90 Ca 0.70 -0.15 -0.27 0.00 -0.15 0.00 0.00 55.06 55.19 1uh6 s HIS 90 Cb -0.45 -1.36 -0.03 0.00 1.11 0.00 0.00 32.58 31.86 1uh6 s HIS 90 CO 0.53 0.52 1.93 0.16 -0.85 0.00 0.00 174.74 177.03 1uh6 s ASP 91 N -2.97 5.28 0.00 1.40 -4.77 -1.26 -1.60 116.67 112.75 1uh6 s ASP 91 Ca 0.27 0.65 0.00 0.00 -3.30 0.00 0.00 52.55 50.17 1uh6 s ASP 91 Cb -0.09 -2.52 0.00 0.00 -1.09 0.00 0.00 42.92 39.22 1uh6 s ASP 91 CO 0.18 -2.31 0.00 0.61 0.70 0.00 0.00 175.17 174.35 1uh6 n GLY 92 N 5.68 1.77 3.71 2.12 0.00 0.50 -4.78 105.19 114.19 1uh6 n GLY 92 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 1uh6 n GLY 92 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1uh6 s MET 93 N -0.03 4.53 -0.01 1.61 1.75 -0.63 -4.78 119.30 121.75 1uh6 s MET 93 Ca 0.00 1.49 -0.24 0.00 -1.25 0.00 0.00 55.69 55.69 1uh6 s MET 93 Cb 0.00 -3.44 -0.05 0.00 2.84 0.00 0.00 34.83 34.18 1uh6 s MET 93 CO 0.00 -0.10 0.71 -0.80 -0.65 0.00 0.00 175.02 174.18 1uh6 s ASN 94 N 1.02 7.09 0.16 1.11 0.01 -1.26 -1.99 114.94 121.08 1uh6 s ASN 94 Ca 0.53 1.30 0.06 0.00 -0.71 0.00 0.00 52.86 54.04 1uh6 s ASN 94 Cb -0.23 -2.43 -0.04 0.00 0.41 0.00 0.00 41.25 38.96 1uh6 s ASN 94 CO 0.28 -0.02 -0.12 -0.76 -1.51 0.00 0.00 177.10 174.97 1uh6 s LEU 95 N 0.24 2.52 -0.45 0.60 1.43 -0.95 -4.99 118.68 117.07 1uh6 s LEU 95 Ca 0.37 -0.99 -0.28 0.00 -1.03 0.00 0.00 54.13 52.20 1uh6 s LEU 95 Cb -0.19 -0.46 0.03 0.00 0.03 0.00 0.00 46.19 45.60 1uh6 s LEU 95 CO 0.20 -0.26 1.05 -1.61 0.23 0.00 0.00 176.35 175.96 1uh6 s GLU 96 N -3.59 3.70 -0.06 1.70 8.01 0.65 -1.63 118.70 127.48 1uh6 s GLU 96 Ca 0.17 0.48 -0.21 0.00 0.01 0.00 0.00 54.97 55.42 1uh6 s GLU 96 Cb 0.01 -3.89 -0.04 0.00 -4.31 0.00 0.00 34.13 25.89 1uh6 s GLU 96 CO 0.03 -1.27 0.62 -1.17 0.01 0.00 0.00 175.26 173.47 1uh6 s LEU 97 N 4.12 4.34 -0.03 1.80 0.20 0.44 -1.58 118.68 127.97 1uh6 s LEU 97 Ca 0.44 1.10 -0.07 0.00 0.69 0.00 0.00 54.13 56.29 1uh6 s LEU 97 Cb -0.09 -2.95 0.01 0.00 -0.43 0.00 0.00 46.19 42.73 1uh6 s LEU 97 CO 0.28 -0.02 0.16 -0.31 -0.29 0.00 0.00 176.35 176.17 1uh6 s TYR 98 N 0.43 -0.06 -0.11 5.38 2.02 0.04 -4.21 117.35 120.85 1uh6 s TYR 98 Ca 0.33 0.12 -0.02 0.00 -0.37 0.00 0.00 57.07 57.13 1uh6 s TYR 98 Cb -0.17 0.00 -0.03 0.00 -0.40 0.00 0.00 41.96 41.36 1uh6 s TYR 98 CO 0.16 -0.21 -0.03 0.71 -1.57 0.00 0.00 175.55 174.61 1uh6 s TYR 99 N -0.80 3.04 -2.00 2.71 2.02 -1.26 0.19 117.35 121.26 1uh6 s TYR 99 Ca -0.09 -0.06 0.21 0.00 -0.37 0.00 0.00 57.07 56.76 1uh6 s TYR 99 Cb -0.05 -1.84 1.26 0.00 -0.40 0.00 0.00 41.96 40.92 1uh6 s TYR 99 CO 0.01 0.22 1.64 1.04 -1.57 0.00 0.00 175.55 176.89