#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uh6 s LYS 2 N 0.00 3.58 0.00 0.03 1.02 -1.26 -4.78 119.74 118.34 1uh6 s LYS 2 Ca 0.00 -0.47 0.00 0.00 0.02 0.00 0.00 55.97 55.52 1uh6 s LYS 2 Cb 0.00 -2.93 0.00 0.00 -0.52 0.00 0.00 37.83 34.38 1uh6 s LYS 2 CO 0.00 0.34 0.00 0.41 -0.92 0.00 0.00 175.35 175.18 1uh6 n GLY 3 N 3.26 -1.20 0.08 -3.33 0.00 -1.26 -4.97 105.19 97.77 1uh6 n GLY 3 Ca -0.17 0.44 -0.09 0.00 0.00 0.00 0.00 46.02 46.19 1uh6 n GLY 3 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1uh6 n SER 4 N 0.00 1.85 0.00 1.61 7.64 -1.26 -4.94 113.62 118.52 1uh6 n SER 4 Ca 0.00 0.53 0.00 0.00 1.01 0.00 0.00 58.87 60.41 1uh6 n SER 4 Cb 0.00 -0.85 0.00 0.00 -1.01 0.00 0.00 64.21 62.35 1uh6 n SER 4 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1uh6 n SER 5 N -4.54 0.00 -3.62 6.43 2.88 -1.26 -4.72 113.62 108.79 1uh6 n SER 5 Ca -0.14 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.07 1uh6 n SER 5 Cb 0.41 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.89 1uh6 n SER 5 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 1uh6 n HIS 6 N 0.00 -2.43 -0.05 0.66 -0.00 -1.26 -4.93 115.22 107.22 1uh6 n HIS 6 Ca 0.00 1.01 -0.03 0.00 0.46 0.00 0.00 57.72 59.16 1uh6 n HIS 6 Cb 0.00 -2.26 -0.01 0.00 -0.12 0.00 0.00 29.99 27.60 1uh6 n HIS 6 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 1uh6 n HIS 7 N -1.26 0.61 -4.01 1.57 -0.00 -1.26 -5.04 115.22 105.83 1uh6 n HIS 7 Ca -0.19 0.27 -0.08 0.00 -0.00 0.00 0.00 57.72 57.72 1uh6 n HIS 7 Cb 0.69 -0.59 -0.09 0.00 -0.00 0.00 0.00 29.99 29.99 1uh6 n HIS 7 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 1uh6 s HIS 8 N -1.82 0.37 0.53 1.57 5.65 -1.26 -5.11 115.29 115.22 1uh6 s HIS 8 Ca -0.10 -0.83 0.00 0.00 0.25 0.00 0.00 55.06 54.38 1uh6 s HIS 8 Cb 0.01 -0.27 0.00 0.00 -1.18 0.00 0.00 32.58 31.15 1uh6 s HIS 8 CO 0.15 -0.39 0.00 0.72 -0.65 0.00 0.00 174.74 174.56 1uh6 n HIS 9 N 0.32 -3.76 0.00 3.88 -0.00 -1.26 -4.97 115.22 109.44 1uh6 n HIS 9 Ca -0.16 2.01 0.00 0.00 -0.00 0.00 0.00 57.72 59.57 1uh6 n HIS 9 Cb 0.60 -3.42 0.00 0.00 -0.00 0.00 0.00 29.99 27.18 1uh6 n HIS 9 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1uh6 n HIS 10 N -4.30 0.00 -3.03 4.41 -0.00 -1.26 -5.00 115.22 106.03 1uh6 n HIS 10 Ca -0.06 0.00 -0.01 0.00 -0.00 0.00 0.00 57.72 57.65 1uh6 n HIS 10 Cb 0.68 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.67 1uh6 n HIS 10 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1uh6 n HIS 11 N -1.85 -3.03 -3.34 4.41 -0.00 -1.26 -5.04 115.22 105.12 1uh6 n HIS 11 Ca 0.00 1.16 -0.08 0.00 -0.00 0.00 0.00 57.72 58.80 1uh6 n HIS 11 Cb 0.00 -4.11 -0.07 0.00 -0.00 0.00 0.00 29.99 25.81 1uh6 n HIS 11 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1uh6 s SER 12 N -2.96 0.06 -0.03 0.26 0.15 -1.26 -5.15 113.70 104.77 1uh6 s SER 12 Ca 0.02 0.31 -0.14 0.00 0.70 0.00 0.00 55.95 56.85 1uh6 s SER 12 Cb -0.01 1.23 0.02 0.00 -1.71 0.00 0.00 66.02 65.56 1uh6 s SER 12 CO 0.75 -0.29 0.31 -0.55 1.20 0.00 0.00 173.24 174.65 1uh6 s SER 13 N 2.58 -0.20 0.42 5.45 0.15 -1.26 -5.18 113.70 115.67 1uh6 s SER 13 Ca 0.13 0.15 0.07 0.00 0.70 0.00 0.00 55.95 57.00 1uh6 s SER 13 Cb -0.15 0.36 -0.04 0.00 -1.71 0.00 0.00 66.02 64.47 1uh6 s SER 13 CO -0.16 -0.40 0.21 -0.83 1.20 0.00 0.00 173.24 173.26 1uh6 s GLY 14 N -1.13 2.34 0.35 9.45 0.00 -1.26 -5.05 107.32 112.02 1uh6 s GLY 14 Ca -0.12 -1.99 0.00 0.00 0.00 0.00 0.00 44.72 42.62 1uh6 s GLY 14 CO 0.04 -1.90 0.00 0.00 0.00 0.00 0.00 173.10 171.24 1uh6 n ALA 15 N -1.31 -3.57 -2.51 3.20 0.00 -1.26 -4.93 120.51 110.13 1uh6 n ALA 15 Ca -0.01 0.50 -0.25 0.00 0.00 0.00 0.00 53.44 53.67 1uh6 n ALA 15 Cb 0.64 -1.26 -0.09 0.00 0.00 0.00 0.00 19.45 18.74 1uh6 n ALA 15 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1uh6 s SER 16 N -6.52 4.21 -0.28 0.00 0.15 -1.26 -4.90 113.70 105.11 1uh6 s SER 16 Ca 0.00 -1.10 -0.10 0.00 0.70 0.00 0.00 55.95 55.45 1uh6 s SER 16 Cb 0.00 -0.48 0.01 0.00 -1.71 0.00 0.00 66.02 63.84 1uh6 s SER 16 CO 0.00 -0.40 0.36 -0.11 1.20 0.00 0.00 173.24 174.28 1uh6 n LEU 17 N -1.07 -6.00 -4.61 3.45 -0.00 -1.26 -4.93 117.00 102.58 1uh6 n LEU 17 Ca -0.03 0.43 -0.43 0.00 -0.00 0.00 0.00 56.01 55.98 1uh6 n LEU 17 Cb 0.64 -2.61 -0.03 0.00 -0.00 0.00 0.00 43.42 41.42 1uh6 n LEU 17 CO 0.45 -1.65 0.80 -0.69 -0.00 0.00 0.00 177.39 176.30 1uh6 s VAL 18 N -1.97 4.55 0.97 1.96 1.01 -1.26 -5.03 120.40 120.64 1uh6 s VAL 18 Ca 0.15 1.25 -0.14 0.00 0.00 0.00 0.00 61.98 63.24 1uh6 s VAL 18 Cb -0.04 -4.36 0.18 0.00 0.00 0.00 0.00 36.38 32.16 1uh6 s VAL 18 CO 0.52 -0.56 1.17 -2.16 0.00 0.00 0.00 175.10 174.07 1uh6 s PRO 19 N 3.55 0.62 0.09 2.72 0.04 -1.26 -5.10 135.00 135.66 1uh6 s PRO 19 Ca 0.39 0.09 -0.11 0.00 0.04 0.00 0.00 61.00 61.42 1uh6 s PRO 19 Cb -0.12 -1.80 0.01 0.00 0.04 0.00 0.00 34.50 32.64 1uh6 s PRO 19 CO 0.19 -2.51 0.25 -0.98 0.04 0.00 0.00 177.00 173.99 1uh6 s ARG 20 N -5.42 0.89 0.23 4.56 1.70 -1.26 -5.18 118.95 114.47 1uh6 s ARG 20 Ca 0.67 -0.84 0.04 0.00 -0.47 0.00 0.00 55.73 55.12 1uh6 s ARG 20 Cb -0.12 0.37 0.04 0.00 -0.57 0.00 0.00 34.95 34.67 1uh6 s ARG 20 CO 0.54 -0.30 0.29 0.41 -1.08 0.00 0.00 175.30 175.16 1uh6 n GLY 21 N -0.01 2.09 0.81 3.88 0.00 -1.26 -5.08 105.19 105.62 1uh6 n GLY 21 Ca -0.16 -2.18 -0.06 0.00 0.00 0.00 0.00 46.02 43.63 1uh6 n GLY 21 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1uh6 n SER 22 N -2.61 0.59 -1.52 1.61 3.41 -1.26 -5.14 113.62 108.69 1uh6 n SER 22 Ca 0.05 0.10 0.05 0.00 -0.26 0.00 0.00 58.87 58.81 1uh6 n SER 22 Cb 0.24 -0.23 -0.03 0.00 -0.26 0.00 0.00 64.21 63.93 1uh6 n SER 22 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1uh6 n GLU 23 N -3.36 -3.86 0.00 4.33 0.00 -1.26 -5.09 120.64 111.40 1uh6 n GLU 23 Ca -0.11 3.04 0.00 0.00 0.00 0.00 0.00 57.16 60.10 1uh6 n GLU 23 Cb 0.51 -3.95 0.00 0.00 0.00 0.00 0.00 31.44 28.00 1uh6 n GLU 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1uh6 n GLY 24 N -3.13 3.05 1.44 8.31 0.00 -1.26 -5.17 105.19 108.43 1uh6 n GLY 24 Ca -0.03 -0.96 0.18 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.07 -3.79 -3.77 4.61 0.00 -1.26 -4.71 120.51 110.52 1uh6 n ALA 25 Ca 0.00 0.75 -0.28 0.00 0.00 0.00 0.00 53.44 53.91 1uh6 n ALA 25 Cb 0.00 -1.48 -0.11 0.00 0.00 0.00 0.00 19.45 17.86 1uh6 n ALA 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1uh6 n ALA 26 N -3.55 3.36 -1.95 0.00 0.00 -1.26 -4.69 120.51 112.43 1uh6 n ALA 26 Ca -0.05 -4.30 -0.31 0.00 0.00 0.00 0.00 53.44 48.77 1uh6 n ALA 26 Cb 0.68 -0.97 -0.03 0.00 0.00 0.00 0.00 19.45 19.13 1uh6 n ALA 26 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1uh6 s THR 27 N -1.29 4.62 -0.11 0.00 2.01 -1.26 -4.81 115.64 114.80 1uh6 s THR 27 Ca 0.27 1.01 -0.13 0.00 0.31 0.00 0.00 61.69 63.15 1uh6 s THR 27 Cb -0.01 -3.74 -0.05 0.00 0.01 0.00 0.00 72.50 68.71 1uh6 s THR 27 CO -0.16 -0.69 0.30 -0.04 -0.69 0.00 0.00 174.62 173.34 1uh6 s MET 28 N -4.12 4.03 -0.03 4.92 -1.94 -1.26 -2.33 119.30 118.57 1uh6 s MET 28 Ca 0.56 0.15 -0.03 0.00 -1.71 0.00 0.00 55.69 54.66 1uh6 s MET 28 Cb -0.10 -3.33 0.01 0.00 2.01 0.00 0.00 34.83 33.42 1uh6 s MET 28 CO 0.34 0.44 0.09 0.96 -0.01 0.00 0.00 175.02 176.84 1uh6 s ILE 29 N -0.18 -0.00 -0.24 2.53 -4.36 -0.28 -4.99 121.20 113.68 1uh6 s ILE 29 Ca 0.18 0.01 -0.12 0.00 -0.26 0.00 0.00 60.65 60.47 1uh6 s ILE 29 Cb -0.14 -0.14 -0.05 0.00 1.25 0.00 0.00 42.46 43.39 1uh6 s ILE 29 CO 0.06 0.01 0.24 -0.70 0.24 0.00 0.00 174.94 174.79 1uh6 s GLU 30 N 0.13 4.08 0.46 0.37 2.12 -1.26 -2.00 118.70 122.59 1uh6 s GLU 30 Ca -0.01 -0.14 0.04 0.00 0.36 0.00 0.00 54.97 55.22 1uh6 s GLU 30 Cb -0.01 -3.56 0.01 0.00 0.26 0.00 0.00 34.13 30.82 1uh6 s GLU 30 CO -0.00 -0.02 0.65 0.14 -0.54 0.00 0.00 175.26 175.48 1uh6 s VAL 31 N 1.29 3.31 -0.16 3.70 -7.23 0.13 0.14 120.40 121.58 1uh6 s VAL 31 Ca 0.11 -0.76 -0.02 0.00 -1.81 0.00 0.00 61.98 59.50 1uh6 s VAL 31 Cb -0.14 -3.19 0.05 0.00 0.56 0.00 0.00 36.38 33.66 1uh6 s VAL 31 CO 0.07 -0.11 -0.01 -0.69 -0.31 0.00 0.00 175.10 174.05 1uh6 s VAL 32 N -2.51 0.73 -0.59 1.32 1.01 -1.09 -2.15 120.40 117.11 1uh6 s VAL 32 Ca 0.52 -0.44 -0.20 0.00 0.00 0.00 0.00 61.98 61.86 1uh6 s VAL 32 Cb -0.10 -1.03 0.08 0.00 0.00 0.00 0.00 36.38 35.33 1uh6 s VAL 32 CO 0.36 0.03 0.78 0.00 0.00 0.00 0.00 175.10 176.27 1uh6 s ASN 34 N 3.43 5.66 0.57 0.00 0.01 -0.68 -2.42 114.94 121.50 1uh6 s ASN 34 Ca 0.16 -0.10 0.08 0.00 -0.71 0.00 0.00 52.86 52.30 1uh6 s ASN 34 Cb -0.20 -2.54 0.07 0.00 0.41 0.00 0.00 41.25 38.98 1uh6 s ASN 34 CO 0.09 -2.16 0.65 1.51 -1.51 0.00 0.00 177.10 175.68 1uh6 s ASP 35 N 6.29 4.88 0.00 -1.22 1.47 -1.26 -1.01 116.67 125.82 1uh6 s ASP 35 Ca 0.54 -1.04 0.21 0.00 1.18 0.00 0.00 52.55 53.44 1uh6 s ASP 35 Cb -0.10 0.42 0.34 0.00 -0.34 0.00 0.00 42.92 43.24 1uh6 s ASP 35 CO 0.16 -1.29 1.31 0.54 0.68 0.00 0.00 175.17 176.57 1uh6 n ARG 36 N -2.08 2.30 0.16 2.11 5.12 -1.26 -4.27 116.66 118.74 1uh6 n ARG 36 Ca 0.09 -2.10 0.11 0.00 -1.93 0.00 0.00 57.85 54.02 1uh6 n ARG 36 Cb 0.63 -1.46 0.57 0.00 -1.16 0.00 0.00 32.46 31.04 1uh6 n ARG 36 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1uh6 n LEU 37 N 1.32 0.58 0.00 0.55 4.77 -1.26 -4.80 117.00 118.15 1uh6 n LEU 37 Ca 0.17 0.74 0.00 0.00 -0.03 0.00 0.00 56.01 56.89 1uh6 n LEU 37 Cb 0.56 -0.78 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 1uh6 n LEU 37 CO 0.14 -0.87 0.00 0.61 -1.33 0.00 0.00 177.39 175.94 1uh6 n GLY 38 N -1.02 2.17 3.37 -0.72 0.00 -1.26 -5.05 105.19 102.67 1uh6 n GLY 38 Ca -0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.12 1.34 0.49 1.61 -2.85 -1.26 -5.08 119.74 113.87 1uh6 s LYS 39 Ca 0.00 -1.35 -0.12 0.00 -1.00 0.00 0.00 55.97 53.50 1uh6 s LYS 39 Cb 0.00 -1.71 -0.06 0.00 -2.06 0.00 0.00 37.83 34.00 1uh6 s LYS 39 CO 0.00 0.39 0.89 0.15 0.10 0.00 0.00 175.35 176.88 1uh6 s LYS 40 N -2.22 3.78 -0.34 1.78 1.02 -1.26 -4.41 119.74 118.09 1uh6 s LYS 40 Ca 0.14 0.66 0.03 0.00 0.02 0.00 0.00 55.97 56.82 1uh6 s LYS 40 Cb -0.09 -2.25 0.09 0.00 -0.52 0.00 0.00 37.83 35.07 1uh6 s LYS 40 CO 0.06 -0.22 0.05 0.08 -0.92 0.00 0.00 175.35 174.40 1uh6 s VAL 41 N -2.63 2.39 -0.03 3.17 1.01 -1.02 -4.96 120.40 118.33 1uh6 s VAL 41 Ca 0.54 -2.21 -0.19 0.00 0.00 0.00 0.00 61.98 60.12 1uh6 s VAL 41 Cb -0.10 -2.70 -0.05 0.00 0.00 0.00 0.00 36.38 33.53 1uh6 s VAL 41 CO 0.36 -0.53 0.53 -0.13 0.00 0.00 0.00 175.10 175.34 1uh6 s ARG 42 N 0.96 4.25 0.01 2.72 0.52 -1.26 -1.22 118.95 124.93 1uh6 s ARG 42 Ca 0.08 0.60 0.02 0.00 -0.52 0.00 0.00 55.73 55.91 1uh6 s ARG 42 Cb -0.20 -3.34 -0.01 0.00 0.52 0.00 0.00 34.95 31.92 1uh6 s ARG 42 CO -0.07 0.38 -0.07 0.08 0.02 0.00 0.00 175.30 175.64 1uh6 s VAL 43 N -0.17 0.51 -0.23 3.52 1.01 -0.92 -4.97 120.40 119.16 1uh6 s VAL 43 Ca 0.28 -0.49 -0.10 0.00 0.00 0.00 0.00 61.98 61.67 1uh6 s VAL 43 Cb -0.17 -0.47 -0.05 0.00 0.00 0.00 0.00 36.38 35.69 1uh6 s VAL 43 CO 0.15 -0.00 0.15 -1.59 0.00 0.00 0.00 175.10 173.81 1uh6 s LYS 44 N -0.54 4.07 0.26 2.72 -2.85 -1.26 -0.70 119.74 121.45 1uh6 s LYS 44 Ca -0.01 -0.27 -0.03 0.00 -1.00 0.00 0.00 55.97 54.66 1uh6 s LYS 44 Cb -0.04 -3.51 -0.02 0.00 -2.06 0.00 0.00 37.83 32.20 1uh6 s LYS 44 CO 0.00 0.10 0.31 0.00 0.10 0.00 0.00 175.35 175.86 1uh6 s ASN 46 N -3.17 5.38 0.56 0.00 -0.87 -1.26 -1.13 114.94 114.45 1uh6 s ASN 46 Ca 0.33 -0.28 0.34 0.00 -1.57 0.00 0.00 52.86 51.69 1uh6 s ASN 46 Cb 0.03 -1.33 1.53 0.00 -0.02 0.00 0.00 41.25 41.45 1uh6 s ASN 46 CO 0.15 -0.01 2.05 0.71 -2.57 0.00 0.00 177.10 177.43 1uh6 h THR 47 N 1.67 0.10 0.00 1.60 1.35 -1.78 -1.77 112.91 114.09 1uh6 h THR 47 Ca -0.48 -0.48 -0.07 0.00 -0.55 0.00 0.00 66.41 64.83 1uh6 h THR 47 Cb 1.23 1.43 -0.01 0.00 -1.73 0.00 0.00 68.15 69.07 1uh6 h THR 47 CO 0.61 0.03 -0.33 -0.78 -0.25 0.00 0.00 175.52 174.80 1uh6 h ASP 48 N 0.00 0.00 -3.36 5.36 1.82 -1.85 -3.34 116.42 115.06 1uh6 h ASP 48 Ca -0.00 0.00 -0.56 0.00 -0.39 0.00 0.00 57.03 56.08 1uh6 h ASP 48 Cb 0.43 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 40.39 1uh6 h ASP 48 CO 0.00 0.33 0.06 -1.81 -1.61 0.00 0.00 179.24 176.22 1uh6 s ASP 49 N -6.59 7.06 0.53 2.28 1.01 -0.67 -4.98 116.67 115.32 1uh6 s ASP 49 Ca -0.02 1.26 -0.05 0.00 0.71 0.00 0.00 52.55 54.45 1uh6 s ASP 49 Cb 0.13 -2.41 -0.02 0.00 1.01 0.00 0.00 42.92 41.64 1uh6 s ASP 49 CO 0.68 0.04 0.84 0.42 0.21 0.00 0.00 175.17 177.36 1uh6 s THR 50 N 0.01 4.32 0.29 -1.27 -4.23 -1.26 -3.85 115.64 109.64 1uh6 s THR 50 Ca 0.34 0.11 -0.03 0.00 -1.18 0.00 0.00 61.69 60.94 1uh6 s THR 50 Cb -0.19 -3.67 0.43 0.00 1.34 0.00 0.00 72.50 70.41 1uh6 s THR 50 CO 0.19 -0.67 1.57 0.40 -0.54 0.00 0.00 174.62 175.57 1uh6 h ILE 51 N 0.04 0.02 -0.29 2.99 1.08 -1.50 0.58 117.51 120.42 1uh6 h ILE 51 Ca -0.46 -0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.07 1uh6 h ILE 51 Cb 1.23 0.01 -0.08 0.00 -3.07 0.00 0.00 36.82 34.91 1uh6 h ILE 51 CO 0.61 0.00 -0.35 1.23 -0.69 0.00 0.00 178.15 178.95 1uh6 h GLY 52 N 0.00 -0.40 1.65 5.37 0.00 -1.75 1.53 103.07 109.46 1uh6 h GLY 52 Ca 0.54 0.44 -0.01 0.00 0.00 0.00 0.00 47.33 48.30 1uh6 h GLY 52 CO -0.96 -0.21 0.17 -0.55 0.00 0.00 0.00 176.54 174.98 1uh6 h ASP 53 N -0.33 0.41 0.24 0.19 3.32 -0.27 -2.32 116.42 117.66 1uh6 h ASP 53 Ca 0.13 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 1uh6 h ASP 53 Cb 0.56 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.01 1uh6 h ASP 53 CO -0.47 0.35 -0.12 0.25 -1.72 0.00 0.00 179.24 177.53 1uh6 h LEU 54 N 0.47 -0.28 -1.39 1.55 5.85 0.24 -2.85 115.31 118.90 1uh6 h LEU 54 Ca 0.12 -0.23 0.35 0.00 0.84 0.00 0.00 57.88 58.96 1uh6 h LEU 54 Cb 0.04 0.07 -0.11 0.00 0.37 0.00 0.00 40.66 41.04 1uh6 h LEU 54 CO -0.02 0.12 0.75 0.11 -0.34 0.00 0.00 178.44 179.07 1uh6 h LYS 55 N -0.72 0.23 0.17 1.25 1.57 0.24 0.69 116.57 119.99 1uh6 h LYS 55 Ca -0.03 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1uh6 h LYS 55 Cb 0.49 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.75 1uh6 h LYS 55 CO 0.05 0.15 -0.10 0.87 -0.57 0.00 0.00 179.45 179.85 1uh6 h LYS 56 N 0.23 -0.25 0.02 3.15 1.57 -1.20 0.32 116.57 120.41 1uh6 h LYS 56 Ca 0.70 0.02 0.03 0.00 -1.87 0.00 0.00 60.65 59.53 1uh6 h LYS 56 Cb 2.03 0.06 -0.04 0.00 0.08 0.00 0.00 32.23 34.36 1uh6 h LYS 56 CO -0.36 -0.17 -0.21 -0.07 -0.57 0.00 0.00 179.45 178.07 1uh6 h LEU 57 N -0.26 -0.62 -0.21 2.94 3.38 0.46 0.18 115.31 121.18 1uh6 h LEU 57 Ca -0.02 0.08 0.04 0.00 0.09 0.00 0.00 57.88 58.08 1uh6 h LEU 57 Cb 0.22 0.25 -0.07 0.00 0.09 0.00 0.00 40.66 41.15 1uh6 h LEU 57 CO 0.02 -0.28 -0.53 0.40 0.09 0.00 0.00 178.44 178.14 1uh6 h ILE 58 N -0.35 0.02 -0.56 1.22 2.04 -0.93 1.63 117.51 120.59 1uh6 h ILE 58 Ca 0.05 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.08 1uh6 h ILE 58 Cb 0.41 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.50 1uh6 h ILE 58 CO -0.18 0.00 0.43 0.00 0.00 0.00 0.00 178.15 178.40 1uh6 h ALA 59 N -0.15 2.46 0.06 1.87 0.00 -0.53 1.04 119.26 124.02 1uh6 h ALA 59 Ca 0.05 -0.02 -0.27 0.00 0.00 0.00 0.00 54.91 54.68 1uh6 h ALA 59 Cb 0.65 0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.50 1uh6 h ALA 59 CO -0.48 -0.72 -1.11 0.00 0.00 0.00 0.00 179.25 176.94 1uh6 h ALA 60 N 1.66 0.14 -0.03 0.00 0.00 0.35 1.11 119.26 122.49 1uh6 h ALA 60 Ca 0.27 -0.74 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 1uh6 h ALA 60 Cb 1.13 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1uh6 h ALA 60 CO -0.00 0.75 -0.08 1.96 0.00 0.00 0.00 179.25 181.87 1uh6 h GLN 61 N 0.28 0.11 0.04 0.00 1.08 0.66 -3.32 115.11 113.96 1uh6 h GLN 61 Ca -0.14 -0.08 -0.22 0.00 -1.45 0.00 0.00 58.65 56.76 1uh6 h GLN 61 Cb 1.77 0.01 0.02 0.00 -0.05 0.00 0.00 27.48 29.23 1uh6 h GLN 61 CO 0.21 0.69 -0.89 1.79 -0.95 0.00 0.00 178.83 179.67 1uh6 h THR 62 N -0.44 1.36 0.00 -0.54 1.35 0.76 -3.48 112.91 111.92 1uh6 h THR 62 Ca -0.00 -2.25 0.00 0.00 -0.55 0.00 0.00 66.41 63.61 1uh6 h THR 62 Cb 0.69 2.61 0.00 0.00 -1.73 0.00 0.00 68.15 69.72 1uh6 h THR 62 CO 0.02 0.67 0.00 0.61 -0.25 0.00 0.00 175.52 176.57 1uh6 n GLY 63 N 1.20 1.01 0.00 5.82 0.00 0.37 -5.05 105.19 108.53 1uh6 n GLY 63 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.53 0.00 -4.21 2.61 -2.24 -0.10 -4.88 114.28 104.94 1uh6 n THR 64 Ca 0.00 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.43 1uh6 n THR 64 Cb 0.00 -1.15 -0.09 0.00 -2.10 0.00 0.00 70.33 66.99 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 -2.01 3.38 0.64 -0.78 0.52 -1.26 -4.44 118.95 115.00 1uh6 s ARG 65 Ca 0.00 -0.36 0.38 0.00 -0.52 0.00 0.00 55.73 55.23 1uh6 s ARG 65 Cb 0.00 -2.97 2.12 0.00 0.52 0.00 0.00 34.95 34.61 1uh6 s ARG 65 CO 0.00 0.56 2.26 0.11 0.02 0.00 0.00 175.30 178.25 1uh6 h TRP 66 N 5.67 0.00 -0.49 -0.53 5.08 -1.86 0.93 115.95 124.74 1uh6 h TRP 66 Ca -0.46 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 59.50 1uh6 h TRP 66 Cb 1.19 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.35 1uh6 h TRP 66 CO 0.62 0.00 0.01 0.27 -1.28 0.00 0.00 178.44 178.07 1uh6 n ASN 67 N -3.30 4.98 -1.37 0.11 0.23 -1.26 -3.86 115.26 110.79 1uh6 n ASN 67 Ca -0.02 -2.80 0.04 0.00 -0.53 0.00 0.00 54.58 51.27 1uh6 n ASN 67 Cb 0.14 -0.66 0.02 0.00 -2.08 0.00 0.00 39.78 37.21 1uh6 n ASN 67 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1uh6 n LYS 68 N 0.50 0.05 -3.82 -3.83 5.02 0.32 -4.83 118.16 111.57 1uh6 n LYS 68 Ca 0.24 -1.94 -0.25 0.00 -2.02 0.00 0.00 58.31 54.34 1uh6 n LYS 68 Cb 1.06 -0.10 -0.17 0.00 -0.02 0.00 0.00 35.03 35.80 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 -0.11 0.65 -0.18 -0.18 1.01 -1.18 -2.39 121.20 118.84 1uh6 s ILE 69 Ca 0.31 -0.09 -0.01 0.00 0.00 0.00 0.00 60.65 60.85 1uh6 s ILE 69 Cb 0.35 -0.78 -0.00 0.00 0.01 0.00 0.00 42.46 42.04 1uh6 s ILE 69 CO -0.15 0.27 -0.11 -0.69 0.00 0.00 0.00 174.94 174.26 1uh6 s VAL 70 N 1.86 2.97 -0.31 2.92 1.01 -0.21 -4.98 120.40 123.66 1uh6 s VAL 70 Ca 0.05 -0.65 -0.08 0.00 0.00 0.00 0.00 61.98 61.29 1uh6 s VAL 70 Cb -0.13 -2.29 0.01 0.00 0.00 0.00 0.00 36.38 33.97 1uh6 s VAL 70 CO -0.07 0.49 0.12 -0.76 0.00 0.00 0.00 175.10 174.88 1uh6 s LEU 71 N 1.01 4.05 0.26 3.92 1.43 -1.26 -1.62 118.68 126.47 1uh6 s LEU 71 Ca -0.01 -0.69 0.10 0.00 -1.03 0.00 0.00 54.13 52.50 1uh6 s LEU 71 Cb -0.15 -1.94 -0.04 0.00 0.03 0.00 0.00 46.19 44.09 1uh6 s LEU 71 CO -0.02 -0.22 -0.05 -0.54 0.23 0.00 0.00 176.35 175.75 1uh6 s LYS 72 N 1.54 2.15 -0.36 1.70 1.02 -0.17 -1.35 119.74 124.26 1uh6 s LYS 72 Ca 0.03 -1.48 0.00 0.00 0.02 0.00 0.00 55.97 54.54 1uh6 s LYS 72 Cb -0.17 -2.08 0.12 0.00 -0.52 0.00 0.00 37.83 35.18 1uh6 s LYS 72 CO 0.04 0.36 0.17 0.21 -0.92 0.00 0.00 175.35 175.21 1uh6 s LYS 73 N -3.58 0.91 0.00 1.68 2.47 0.10 -0.27 119.74 121.04 1uh6 s LYS 73 Ca 0.31 -1.46 0.00 0.00 -1.56 0.00 0.00 55.97 53.26 1uh6 s LYS 73 Cb -0.06 -2.03 0.00 0.00 -1.46 0.00 0.00 37.83 34.28 1uh6 s LYS 73 CO 0.19 -1.08 0.00 0.91 0.16 0.00 0.00 175.35 175.52 1uh6 n TRP 74 N 4.25 0.00 0.00 4.03 7.02 -1.26 -2.27 117.44 129.21 1uh6 n TRP 74 Ca 0.04 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.52 1uh6 n TRP 74 Cb 0.38 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.27 1uh6 n TRP 74 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 1uh6 n TYR 75 N 0.00 0.00 -2.01 -5.99 4.02 -1.26 -5.08 117.16 106.84 1uh6 n TYR 75 Ca 0.00 0.00 -0.37 0.00 -0.01 0.00 0.00 57.90 57.52 1uh6 n TYR 75 Cb 0.00 0.19 0.02 0.00 -0.02 0.00 0.00 39.34 39.53 1uh6 n TYR 75 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 1uh6 s THR 76 N -1.54 2.58 -0.10 -0.72 2.01 -0.96 -5.02 115.64 111.90 1uh6 s THR 76 Ca 0.00 0.42 -0.04 0.00 0.31 0.00 0.00 61.69 62.38 1uh6 s THR 76 Cb 0.00 -3.20 -0.04 0.00 0.01 0.00 0.00 72.50 69.27 1uh6 s THR 76 CO 0.00 -0.03 0.05 -0.63 -0.69 0.00 0.00 174.62 173.32 1uh6 s ILE 77 N -1.46 4.73 -0.32 1.82 1.09 -1.26 0.00 121.20 125.81 1uh6 s ILE 77 Ca 0.70 -0.09 -0.21 0.00 -1.10 0.00 0.00 60.65 59.96 1uh6 s ILE 77 Cb -0.34 -3.02 -0.00 0.00 -1.06 0.00 0.00 42.46 38.04 1uh6 s ILE 77 CO 0.39 0.61 0.66 -0.36 -0.10 0.00 0.00 174.94 176.14 1uh6 s PHE 78 N -0.91 3.19 1.13 3.97 0.40 -0.46 -4.95 117.98 120.35 1uh6 s PHE 78 Ca 0.14 0.56 -0.15 0.00 -0.60 0.00 0.00 56.93 56.88 1uh6 s PHE 78 Cb -0.12 -3.07 0.26 0.00 0.51 0.00 0.00 43.02 40.60 1uh6 s PHE 78 CO 0.03 -0.53 1.06 0.15 0.70 0.00 0.00 175.22 176.63 1uh6 s LYS 79 N 2.69 -0.64 0.00 0.44 -0.14 -1.26 -4.66 119.74 116.17 1uh6 s LYS 79 Ca 0.26 0.44 0.23 0.00 -1.36 0.00 0.00 55.97 55.54 1uh6 s LYS 79 Cb -0.15 -1.62 0.51 0.00 -1.68 0.00 0.00 37.83 34.89 1uh6 s LYS 79 CO 0.13 -3.44 1.44 -0.40 -0.76 0.00 0.00 175.35 172.32 1uh6 n ASP 80 N -4.66 2.86 -0.59 2.83 5.75 -1.26 -3.89 116.55 117.59 1uh6 n ASP 80 Ca 0.06 -1.90 0.05 0.00 -0.01 0.00 0.00 54.79 52.99 1uh6 n ASP 80 Cb 0.57 -0.18 0.19 0.00 -1.03 0.00 0.00 41.12 40.68 1uh6 n ASP 80 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1uh6 n HIS 81 N 1.12 0.29 -5.11 2.11 1.44 -1.26 -3.42 115.22 110.39 1uh6 n HIS 81 Ca 0.18 -1.33 -0.31 0.00 -2.01 0.00 0.00 57.72 54.25 1uh6 n HIS 81 Cb 0.52 -0.28 -0.17 0.00 0.12 0.00 0.00 29.99 30.19 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 -3.11 1.89 0.33 0.61 1.01 -1.25 -5.03 120.40 114.84 1uh6 s VAL 82 Ca 0.38 -0.92 -0.21 0.00 0.00 0.00 0.00 61.98 61.22 1uh6 s VAL 82 Cb 0.35 -1.64 -0.10 0.00 0.00 0.00 0.00 36.38 34.99 1uh6 s VAL 82 CO -0.02 0.52 0.86 -0.94 0.00 0.00 0.00 175.10 175.53 1uh6 s SER 83 N 0.37 7.08 0.57 3.32 1.04 -1.26 -1.55 113.70 123.27 1uh6 s SER 83 Ca -0.17 1.61 0.25 0.00 0.48 0.00 0.00 55.95 58.12 1uh6 s SER 83 Cb -0.17 -2.50 1.64 0.00 0.10 0.00 0.00 66.02 65.08 1uh6 s SER 83 CO 0.08 -0.14 2.21 -0.07 0.98 0.00 0.00 173.24 176.30 1uh6 h LEU 84 N 2.75 0.00 -0.82 2.42 4.07 -1.67 0.16 115.31 122.22 1uh6 h LEU 84 Ca -0.48 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 57.41 1uh6 h LEU 84 Cb 1.19 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.92 1uh6 h LEU 84 CO 0.64 0.00 -0.33 1.23 -1.08 0.00 0.00 178.44 178.90 1uh6 h GLY 85 N 0.00 0.00 0.50 0.83 0.00 -1.88 0.24 103.07 102.76 1uh6 h GLY 85 Ca 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.33 1uh6 h GLY 85 CO -0.00 0.00 -0.06 -0.55 0.00 0.00 0.00 176.54 175.93 1uh6 h ASP 86 N 0.00 -0.15 0.08 0.19 3.32 -1.02 -2.89 116.42 115.95 1uh6 h ASP 86 Ca -0.00 -0.36 0.00 0.00 0.02 0.00 0.00 57.03 56.68 1uh6 h ASP 86 Cb 0.93 0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.51 1uh6 h ASP 86 CO 0.04 0.33 0.00 -1.22 -1.72 0.00 0.00 179.24 176.67 1uh6 n TYR 87 N -4.95 0.00 -1.58 4.55 4.01 -1.11 -4.83 117.16 113.24 1uh6 n TYR 87 Ca -0.09 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.50 1uh6 n TYR 87 Cb 0.26 -0.06 -0.06 0.00 -0.31 0.00 0.00 39.34 39.17 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 -1.06 -1.11 -1.51 -0.72 1.02 -0.86 -4.88 120.64 111.53 1uh6 n GLU 88 Ca 0.16 1.00 -0.53 0.00 -0.02 0.00 0.00 57.16 57.78 1uh6 n GLU 88 Cb 0.10 -5.19 -0.05 0.00 -0.02 0.00 0.00 31.44 26.27 1uh6 n GLU 88 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1uh6 n ILE 89 N -2.78 0.79 -3.98 -3.67 5.41 0.80 -4.94 119.36 110.99 1uh6 n ILE 89 Ca -0.16 -0.20 -0.21 0.00 1.00 0.00 0.00 62.75 63.18 1uh6 n ILE 89 Cb 0.53 -0.32 -0.03 0.00 -0.71 0.00 0.00 39.64 39.10 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 -0.28 3.16 -0.40 1.39 3.76 -1.26 -4.82 115.29 116.83 1uh6 s HIS 90 Ca 0.78 -0.13 -0.29 0.00 -0.15 0.00 0.00 55.06 55.28 1uh6 s HIS 90 Cb -1.03 -1.55 0.00 0.00 1.11 0.00 0.00 32.58 31.11 1uh6 s HIS 90 CO 0.55 0.40 1.55 0.34 -0.85 0.00 0.00 174.74 176.73 1uh6 s ASP 91 N -3.93 6.15 0.00 1.40 2.15 -1.26 -1.74 116.67 119.45 1uh6 s ASP 91 Ca 0.35 0.93 0.00 0.00 0.43 0.00 0.00 52.55 54.27 1uh6 s ASP 91 Cb -0.08 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.01 1uh6 s ASP 91 CO 0.27 -1.56 0.00 0.61 -0.17 0.00 0.00 175.17 174.31 1uh6 n GLY 92 N 5.22 0.81 3.63 2.66 0.00 0.38 -4.85 105.19 113.04 1uh6 n GLY 92 Ca 0.18 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.69 1uh6 n GLY 92 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1uh6 n MET 93 N -0.91 1.41 -3.32 1.61 0.00 -0.71 -4.56 117.12 110.65 1uh6 n MET 93 Ca 0.00 0.51 -0.38 0.00 0.00 0.00 0.00 57.70 57.83 1uh6 n MET 93 Cb 0.00 -2.20 -0.06 0.00 0.00 0.00 0.00 33.22 30.97 1uh6 n MET 93 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 175.97 175.17 1uh6 s ASN 94 N 1.15 6.76 0.06 6.12 0.01 -1.26 -2.67 114.94 125.10 1uh6 s ASN 94 Ca 0.85 0.90 0.03 0.00 -0.71 0.00 0.00 52.86 53.94 1uh6 s ASN 94 Cb -0.90 -2.30 -0.03 0.00 0.41 0.00 0.00 41.25 38.44 1uh6 s ASN 94 CO 0.48 0.07 -0.10 -0.76 -1.51 0.00 0.00 177.10 175.27 1uh6 s LEU 95 N 0.22 2.28 -0.28 0.60 1.43 -1.02 -4.97 118.68 116.93 1uh6 s LEU 95 Ca 0.27 -0.60 -0.29 0.00 -1.03 0.00 0.00 54.13 52.47 1uh6 s LEU 95 Cb -0.16 -0.30 -0.02 0.00 0.03 0.00 0.00 46.19 45.74 1uh6 s LEU 95 CO 0.12 -0.17 1.71 -1.61 0.23 0.00 0.00 176.35 176.63 1uh6 s GLU 96 N -1.78 3.55 0.00 1.70 0.41 0.63 -1.69 118.70 121.53 1uh6 s GLU 96 Ca -0.05 1.53 -0.15 0.00 -0.41 0.00 0.00 54.97 55.89 1uh6 s GLU 96 Cb -0.09 -4.12 -0.06 0.00 -1.78 0.00 0.00 34.13 28.08 1uh6 s GLU 96 CO 0.01 -1.59 0.41 -1.17 -0.49 0.00 0.00 175.26 172.43 1uh6 s LEU 97 N 6.07 4.47 0.15 1.80 1.98 -0.18 -1.00 118.68 131.98 1uh6 s LEU 97 Ca 0.76 0.96 -0.12 0.00 -2.89 0.00 0.00 54.13 52.84 1uh6 s LEU 97 Cb -0.23 -2.60 0.01 0.00 0.66 0.00 0.00 46.19 44.02 1uh6 s LEU 97 CO 0.32 0.32 0.34 -0.31 -1.89 0.00 0.00 176.35 175.13 1uh6 s TYR 98 N -1.09 0.13 0.03 5.38 2.02 -0.64 -4.56 117.35 118.61 1uh6 s TYR 98 Ca 0.24 -0.49 0.06 0.00 -0.37 0.00 0.00 57.07 56.51 1uh6 s TYR 98 Cb -0.17 0.10 -0.02 0.00 -0.40 0.00 0.00 41.96 41.47 1uh6 s TYR 98 CO 0.14 -0.73 -0.18 0.71 -1.57 0.00 0.00 175.55 173.92 1uh6 s TYR 99 N -3.90 1.60 -2.73 2.71 2.02 -1.26 -1.04 117.35 114.75 1uh6 s TYR 99 Ca 0.10 -0.35 0.26 0.00 -0.37 0.00 0.00 57.07 56.72 1uh6 s TYR 99 Cb 0.02 -0.97 0.66 0.00 -0.40 0.00 0.00 41.96 41.27 1uh6 s TYR 99 CO -0.05 0.05 1.52 1.04 -1.57 0.00 0.00 175.55 176.54