#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 0.81 0.00 2.12 1.02 -1.26 -5.13 119.74 117.31 1uh6 s LYS 2 Ca 0.00 -1.20 0.00 0.00 0.02 0.00 0.00 55.97 54.79 1uh6 s LYS 2 Cb 0.00 0.27 0.00 0.00 -0.52 0.00 0.00 37.83 37.58 1uh6 s LYS 2 CO 0.00 -0.23 0.00 0.41 -0.92 0.00 0.00 175.35 174.61 1uh6 n GLY 3 N -0.02 3.84 2.84 -3.33 0.00 -1.26 -5.08 105.19 102.18 1uh6 n GLY 3 Ca -0.11 -1.26 -0.30 0.00 0.00 0.00 0.00 46.02 44.34 1uh6 n GLY 3 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1uh6 s SER 4 N 0.00 4.30 -0.29 1.61 1.04 -1.26 -5.04 113.70 114.05 1uh6 s SER 4 Ca 0.00 -1.88 0.03 0.00 0.48 0.00 0.00 55.95 54.59 1uh6 s SER 4 Cb 0.00 -1.16 0.19 0.00 0.10 0.00 0.00 66.02 65.15 1uh6 s SER 4 CO 0.00 -0.40 0.58 -0.55 0.98 0.00 0.00 173.24 173.86 1uh6 s SER 5 N 1.29 -1.43 0.04 7.02 0.15 -1.26 -5.15 113.70 114.36 1uh6 s SER 5 Ca 0.11 0.41 -0.27 0.00 0.70 0.00 0.00 55.95 56.90 1uh6 s SER 5 Cb -0.18 2.03 0.08 0.00 -1.71 0.00 0.00 66.02 66.24 1uh6 s SER 5 CO -0.18 -0.29 0.71 -2.28 1.20 0.00 0.00 173.24 172.41 1uh6 s HIS 6 N 2.82 -0.53 -0.17 3.44 2.46 -1.26 -5.15 115.29 116.90 1uh6 s HIS 6 Ca 0.14 0.58 0.01 0.00 0.47 0.00 0.00 55.06 56.26 1uh6 s HIS 6 Cb -0.12 0.50 0.01 0.00 -0.13 0.00 0.00 32.58 32.84 1uh6 s HIS 6 CO -0.24 -0.67 -0.18 -3.38 -2.47 0.00 0.00 174.74 167.79 1uh6 s HIS 7 N -2.61 2.78 -0.44 3.88 -3.43 -1.26 -5.07 115.29 109.14 1uh6 s HIS 7 Ca -0.02 -1.44 0.03 0.00 -0.80 0.00 0.00 55.06 52.83 1uh6 s HIS 7 Cb -0.01 -1.91 0.12 0.00 -1.43 0.00 0.00 32.58 29.35 1uh6 s HIS 7 CO -0.04 -0.70 0.19 -3.38 -2.00 0.00 0.00 174.74 168.81 1uh6 s HIS 8 N 1.16 2.88 0.03 0.38 -3.43 -1.26 -4.80 115.29 110.25 1uh6 s HIS 8 Ca 0.01 -2.82 0.00 0.00 -0.80 0.00 0.00 55.06 51.45 1uh6 s HIS 8 Cb -0.14 -2.52 0.00 0.00 -1.43 0.00 0.00 32.58 28.50 1uh6 s HIS 8 CO -0.08 -0.81 0.00 1.58 -2.00 0.00 0.00 174.74 173.43 1uh6 n HIS 9 N 3.62 -1.33 -2.57 0.38 -0.00 -1.26 -5.04 115.22 109.01 1uh6 n HIS 9 Ca 0.05 0.08 -0.05 0.00 -0.00 0.00 0.00 57.72 57.80 1uh6 n HIS 9 Cb 0.36 0.63 -0.04 0.00 -0.00 0.00 0.00 29.99 30.94 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 -2.58 -4.56 -2.46 1.57 8.25 -1.26 -4.92 115.22 109.27 1uh6 n HIS 10 Ca 0.00 2.66 -0.39 0.00 -0.26 0.00 0.00 57.72 59.74 1uh6 n HIS 10 Cb 0.00 -3.91 -0.04 0.00 1.12 0.00 0.00 29.99 27.16 1uh6 n HIS 10 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 1uh6 s HIS 11 N -0.65 3.40 -0.26 4.41 -3.43 -1.26 -5.03 115.29 112.47 1uh6 s HIS 11 Ca -0.25 1.66 -0.04 0.00 -0.80 0.00 0.00 55.06 55.63 1uh6 s HIS 11 Cb 0.02 -3.26 0.15 0.00 -1.43 0.00 0.00 32.58 28.05 1uh6 s HIS 11 CO 0.68 -0.71 0.49 -1.54 -2.00 0.00 0.00 174.74 171.66 1uh6 s SER 12 N -1.11 -0.55 0.65 7.38 1.04 -1.26 -5.15 113.70 114.70 1uh6 s SER 12 Ca 0.50 0.73 -0.17 0.00 0.48 0.00 0.00 55.95 57.49 1uh6 s SER 12 Cb -0.29 1.65 -0.09 0.00 0.10 0.00 0.00 66.02 67.39 1uh6 s SER 12 CO 0.37 -0.27 0.25 -1.20 0.98 0.00 0.00 173.24 173.38 1uh6 n SER 13 N 5.40 -2.17 0.00 7.02 7.64 -1.26 -4.83 113.62 125.42 1uh6 n SER 13 Ca -0.04 0.61 0.00 0.00 1.01 0.00 0.00 58.87 60.45 1uh6 n SER 13 Cb 0.50 -1.08 0.00 0.00 -1.01 0.00 0.00 64.21 62.63 1uh6 n SER 13 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uh6 n GLY 14 N 2.05 2.37 3.31 0.23 0.00 -1.26 -5.12 105.19 106.78 1uh6 n GLY 14 Ca 0.09 -1.21 -0.30 0.00 0.00 0.00 0.00 46.02 44.60 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 2.14 0.01 4.61 0.00 -1.26 -4.96 121.76 122.31 1uh6 s ALA 15 Ca 0.00 -1.16 -0.00 0.00 0.00 0.00 0.00 51.96 50.79 1uh6 s ALA 15 Cb 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 23.12 22.62 1uh6 s ALA 15 CO 0.00 0.52 0.01 0.43 0.00 0.00 0.00 175.76 176.72 1uh6 n SER 16 N 2.14 -8.48 -4.69 0.00 7.64 -1.26 -4.95 113.62 104.02 1uh6 n SER 16 Ca -0.16 1.66 -0.37 0.00 1.01 0.00 0.00 58.87 61.01 1uh6 n SER 16 Cb 0.52 -4.79 -0.08 0.00 -1.01 0.00 0.00 64.21 58.85 1uh6 n SER 16 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1uh6 s LEU 17 N -0.54 4.17 -0.23 -3.43 0.20 -1.26 -5.01 118.68 112.57 1uh6 s LEU 17 Ca -0.01 0.33 -0.29 0.00 0.69 0.00 0.00 54.13 54.85 1uh6 s LEU 17 Cb 0.00 -2.28 -0.06 0.00 -0.43 0.00 0.00 46.19 43.42 1uh6 s LEU 17 CO 0.03 0.05 2.22 0.55 -0.29 0.00 0.00 176.35 178.90 1uh6 n VAL 18 N 4.05 0.33 -2.54 1.68 3.14 -1.26 -4.92 118.33 118.80 1uh6 n VAL 18 Ca -0.12 -0.43 -0.35 0.00 -2.96 0.00 0.00 64.34 60.48 1uh6 n VAL 18 Cb 0.52 -2.44 -0.04 0.00 -1.06 0.00 0.00 33.84 30.82 1uh6 n VAL 18 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 1uh6 s PRO 19 N 6.30 3.96 -0.04 1.45 0.04 -1.26 -5.01 135.00 140.43 1uh6 s PRO 19 Ca 1.02 1.43 -0.02 0.00 0.04 0.00 0.00 61.00 63.47 1uh6 s PRO 19 Cb -0.41 -2.29 -0.01 0.00 0.04 0.00 0.00 34.50 31.84 1uh6 s PRO 19 CO 0.37 -0.31 -0.04 0.00 0.04 0.00 0.00 177.00 177.07 1uh6 h ARG 20 N 1.97 0.00 0.00 4.56 -0.00 -1.91 -3.51 114.38 115.48 1uh6 h ARG 20 Ca -0.49 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 58.99 1uh6 h ARG 20 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.19 1uh6 h ARG 20 CO 0.60 0.00 0.00 0.41 0.00 0.00 0.00 179.97 180.98 1uh6 n GLY 21 N 1.78 3.47 0.34 0.04 0.00 -1.26 -5.06 105.19 104.50 1uh6 n GLY 21 Ca -0.02 -0.80 -0.12 0.00 0.00 0.00 0.00 46.02 45.08 1uh6 n GLY 21 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1uh6 h SER 22 N 0.00 -1.15 -2.42 1.61 0.02 -1.99 -3.42 113.55 106.20 1uh6 h SER 22 Ca 0.00 0.12 -0.52 0.00 -0.84 0.00 0.00 61.79 60.56 1uh6 h SER 22 Cb 0.00 0.42 -0.03 0.00 0.14 0.00 0.00 62.40 62.93 1uh6 h SER 22 CO 0.00 -0.39 -0.48 -1.61 -1.14 0.00 0.00 176.83 173.21 1uh6 s GLU 23 N -4.96 3.29 0.00 3.45 8.01 -1.26 -4.83 118.70 122.40 1uh6 s GLU 23 Ca -0.12 -0.75 0.00 0.00 0.01 0.00 0.00 54.97 54.11 1uh6 s GLU 23 Cb 0.04 -2.84 0.00 0.00 -4.31 0.00 0.00 34.13 27.02 1uh6 s GLU 23 CO 0.43 0.47 0.00 0.41 0.01 0.00 0.00 175.26 176.58 1uh6 n GLY 24 N -0.87 4.31 1.16 -1.39 0.00 -1.26 -4.89 105.19 102.26 1uh6 n GLY 24 Ca -0.08 -1.40 0.15 0.00 0.00 0.00 0.00 46.02 44.69 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 -1.89 -3.04 -2.72 4.61 0.00 -1.26 -4.86 120.51 111.35 1uh6 n ALA 25 Ca 0.00 0.64 -0.08 0.00 0.00 0.00 0.00 53.44 54.00 1uh6 n ALA 25 Cb 0.00 -1.21 0.09 0.00 0.00 0.00 0.00 19.45 18.33 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 -3.44 -1.29 -1.97 0.00 0.00 -1.26 -4.46 120.51 108.09 1uh6 n ALA 26 Ca -0.05 -1.25 -0.32 0.00 0.00 0.00 0.00 53.44 51.82 1uh6 n ALA 26 Cb 0.55 -1.55 -0.04 0.00 0.00 0.00 0.00 19.45 18.41 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 0.26 4.60 -0.11 0.00 2.01 -1.26 -4.81 115.64 116.33 1uh6 s THR 27 Ca 0.23 1.06 -0.15 0.00 0.31 0.00 0.00 61.69 63.14 1uh6 s THR 27 Cb 0.28 -3.70 -0.05 0.00 0.01 0.00 0.00 72.50 69.05 1uh6 s THR 27 CO -0.09 -0.54 0.37 -0.04 -0.69 0.00 0.00 174.62 173.62 1uh6 s MET 28 N -3.78 4.18 -0.09 4.92 -1.94 -1.26 -2.30 119.30 119.04 1uh6 s MET 28 Ca 0.57 0.26 -0.06 0.00 -1.71 0.00 0.00 55.69 54.74 1uh6 s MET 28 Cb -0.10 -3.38 0.03 0.00 2.01 0.00 0.00 34.83 33.39 1uh6 s MET 28 CO 0.27 0.32 0.21 0.96 -0.01 0.00 0.00 175.02 176.78 1uh6 s ILE 29 N 0.15 -0.02 0.00 2.53 -4.36 -0.11 -4.97 121.20 114.43 1uh6 s ILE 29 Ca 0.21 0.07 -0.21 0.00 -0.26 0.00 0.00 60.65 60.46 1uh6 s ILE 29 Cb -0.14 -0.32 -0.05 0.00 1.25 0.00 0.00 42.46 43.20 1uh6 s ILE 29 CO 0.08 0.03 0.60 -0.70 0.24 0.00 0.00 174.94 175.19 1uh6 s GLU 30 N 0.64 4.32 0.22 0.37 2.12 -1.26 -2.79 118.70 122.32 1uh6 s GLU 30 Ca -0.04 0.75 0.08 0.00 0.36 0.00 0.00 54.97 56.12 1uh6 s GLU 30 Cb -0.06 -3.34 -0.04 0.00 0.26 0.00 0.00 34.13 30.95 1uh6 s GLU 30 CO -0.04 0.38 0.04 0.14 -0.54 0.00 0.00 175.26 175.24 1uh6 s VAL 31 N -0.24 3.77 -0.17 3.70 -7.23 -0.92 -0.22 120.40 119.08 1uh6 s VAL 31 Ca 0.31 -1.60 0.01 0.00 -1.81 0.00 0.00 61.98 58.89 1uh6 s VAL 31 Cb -0.18 -2.97 0.03 0.00 0.56 0.00 0.00 36.38 33.82 1uh6 s VAL 31 CO 0.18 -0.25 -0.13 -0.69 -0.31 0.00 0.00 175.10 173.89 1uh6 s VAL 32 N -2.03 1.65 -0.42 1.32 1.01 0.27 -2.69 120.40 119.51 1uh6 s VAL 32 Ca 0.30 -0.84 -0.07 0.00 0.00 0.00 0.00 61.98 61.37 1uh6 s VAL 32 Cb -0.08 -1.62 0.09 0.00 0.00 0.00 0.00 36.38 34.77 1uh6 s VAL 32 CO 0.20 0.33 0.25 0.00 0.00 0.00 0.00 175.10 175.88 1uh6 s ASN 34 N 2.12 5.80 0.55 0.00 0.01 -1.02 -2.52 114.94 119.88 1uh6 s ASN 34 Ca 0.04 -0.16 0.08 0.00 -0.71 0.00 0.00 52.86 52.11 1uh6 s ASN 34 Cb -0.23 -2.55 0.08 0.00 0.41 0.00 0.00 41.25 38.95 1uh6 s ASN 34 CO 0.00 -2.06 0.63 -0.90 -1.51 0.00 0.00 177.10 173.26 1uh6 n ASP 35 N 10.77 2.33 -3.21 -1.22 5.75 -1.26 -2.38 116.55 127.33 1uh6 n ASP 35 Ca 0.11 -2.65 -0.40 0.00 -0.01 0.00 0.00 54.79 51.84 1uh6 n ASP 35 Cb 0.50 -0.26 0.03 0.00 -1.03 0.00 0.00 41.12 40.36 1uh6 n ASP 35 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1uh6 n ARG 36 N -2.04 3.85 -0.00 0.11 1.74 -1.26 -4.26 116.66 114.80 1uh6 n ARG 36 Ca 0.09 -3.95 0.03 0.00 -0.77 0.00 0.00 57.85 53.25 1uh6 n ARG 36 Cb 0.60 -2.35 -0.04 0.00 -1.02 0.00 0.00 32.46 29.65 1uh6 n ARG 36 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1uh6 n LEU 37 N -0.28 0.24 0.00 0.55 4.77 -1.26 -5.01 117.00 116.01 1uh6 n LEU 37 Ca 0.51 -0.43 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 1uh6 n LEU 37 Cb 0.25 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1uh6 n LEU 37 CO 0.51 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 1uh6 n GLY 38 N 1.29 3.12 3.50 -0.72 0.00 -1.26 -5.04 105.19 106.07 1uh6 n GLY 38 Ca 0.01 -1.02 -0.24 0.00 0.00 0.00 0.00 46.02 44.77 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 0.00 1.77 0.76 1.61 -2.85 -1.26 -5.08 119.74 114.69 1uh6 s LYS 39 Ca 0.00 -1.65 -0.11 0.00 -1.00 0.00 0.00 55.97 53.21 1uh6 s LYS 39 Cb 0.00 -1.86 0.05 0.00 -2.06 0.00 0.00 37.83 33.95 1uh6 s LYS 39 CO 0.00 0.35 1.09 0.15 0.10 0.00 0.00 175.35 177.05 1uh6 s LYS 40 N -3.36 2.38 -0.37 1.78 1.02 -1.26 -4.51 119.74 115.41 1uh6 s LYS 40 Ca 0.28 0.61 0.04 0.00 0.02 0.00 0.00 55.97 56.92 1uh6 s LYS 40 Cb -0.06 -1.96 0.11 0.00 -0.52 0.00 0.00 37.83 35.40 1uh6 s LYS 40 CO 0.15 -1.40 0.09 0.08 -0.92 0.00 0.00 175.35 173.35 1uh6 s VAL 41 N -3.21 2.40 -0.46 3.17 1.01 -1.05 -4.97 120.40 117.29 1uh6 s VAL 41 Ca 0.60 -2.49 -0.19 0.00 0.00 0.00 0.00 61.98 59.90 1uh6 s VAL 41 Cb -0.13 -2.75 0.04 0.00 0.00 0.00 0.00 36.38 33.53 1uh6 s VAL 41 CO 0.53 -0.64 0.59 -0.13 0.00 0.00 0.00 175.10 175.46 1uh6 s ARG 42 N 0.72 3.18 0.01 2.72 0.52 -1.26 -2.30 118.95 122.56 1uh6 s ARG 42 Ca 0.12 -0.64 0.06 0.00 -0.52 0.00 0.00 55.73 54.75 1uh6 s ARG 42 Cb -0.20 -4.01 -0.03 0.00 0.52 0.00 0.00 34.95 31.23 1uh6 s ARG 42 CO -0.07 -1.06 -0.17 0.08 0.02 0.00 0.00 175.30 174.11 1uh6 s VAL 43 N 2.62 2.86 -0.06 3.52 1.01 -1.09 -4.96 120.40 124.29 1uh6 s VAL 43 Ca 0.18 -1.05 -0.20 0.00 0.00 0.00 0.00 61.98 60.91 1uh6 s VAL 43 Cb -0.17 -2.17 -0.05 0.00 0.00 0.00 0.00 36.38 34.00 1uh6 s VAL 43 CO 0.15 0.41 0.55 -0.54 0.00 0.00 0.00 175.10 175.67 1uh6 s LYS 44 N -1.23 4.32 0.29 2.72 1.02 -1.26 -2.17 119.74 123.43 1uh6 s LYS 44 Ca 0.14 0.61 -0.10 0.00 0.02 0.00 0.00 55.97 56.64 1uh6 s LYS 44 Cb -0.11 -3.39 0.00 0.00 -0.52 0.00 0.00 37.83 33.81 1uh6 s LYS 44 CO 0.04 0.25 0.50 0.00 -0.92 0.00 0.00 175.35 175.22 1uh6 s ASN 46 N -3.09 3.65 0.53 0.00 0.01 -1.26 -0.93 114.94 113.84 1uh6 s ASN 46 Ca 0.25 -1.13 0.33 0.00 -0.71 0.00 0.00 52.86 51.60 1uh6 s ASN 46 Cb -0.01 -0.32 1.39 0.00 0.41 0.00 0.00 41.25 42.72 1uh6 s ASN 46 CO 0.13 -0.11 1.98 0.71 -1.51 0.00 0.00 177.10 178.30 1uh6 h THR 47 N 2.13 0.00 0.00 1.60 1.35 -1.77 -2.04 112.91 114.18 1uh6 h THR 47 Ca -0.41 -0.46 -0.09 0.00 -0.55 0.00 0.00 66.41 64.90 1uh6 h THR 47 Cb 1.25 1.43 -0.01 0.00 -1.73 0.00 0.00 68.15 69.09 1uh6 h THR 47 CO 0.66 0.00 -0.45 -0.78 -0.25 0.00 0.00 175.52 174.70 1uh6 h ASP 48 N 0.00 0.00 -3.49 5.36 3.58 -1.84 -3.33 116.42 116.70 1uh6 h ASP 48 Ca 0.00 0.00 -0.53 0.00 0.42 0.00 0.00 57.03 56.92 1uh6 h ASP 48 Cb 0.47 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.49 1uh6 h ASP 48 CO 0.00 0.45 0.17 -1.81 -2.88 0.00 0.00 179.24 175.17 1uh6 s ASP 49 N -6.59 7.34 0.54 2.28 1.01 -0.77 -5.03 116.67 115.45 1uh6 s ASP 49 Ca -0.01 1.59 -0.03 0.00 0.71 0.00 0.00 52.55 54.82 1uh6 s ASP 49 Cb 0.12 -2.49 0.00 0.00 1.01 0.00 0.00 42.92 41.56 1uh6 s ASP 49 CO 0.71 0.16 0.81 0.42 0.21 0.00 0.00 175.17 177.48 1uh6 s THR 50 N -0.88 3.76 0.29 -1.27 -4.23 -1.26 -4.01 115.64 108.03 1uh6 s THR 50 Ca 0.36 -0.21 0.03 0.00 -1.18 0.00 0.00 61.69 60.69 1uh6 s THR 50 Cb -0.22 -3.45 0.30 0.00 1.34 0.00 0.00 72.50 70.47 1uh6 s THR 50 CO 0.25 -0.40 1.66 0.40 -0.54 0.00 0.00 174.62 175.99 1uh6 h ILE 51 N 0.05 0.35 0.30 2.99 1.08 -1.50 0.25 117.51 121.03 1uh6 h ILE 51 Ca -0.46 -0.08 -0.00 0.00 -0.39 0.00 0.00 64.86 63.93 1uh6 h ILE 51 Cb 1.26 0.08 -0.04 0.00 -3.07 0.00 0.00 36.82 35.05 1uh6 h ILE 51 CO 0.59 0.04 -0.52 1.23 -0.69 0.00 0.00 178.15 178.81 1uh6 h GLY 52 N 0.24 -1.22 0.65 5.37 0.00 -1.77 1.01 103.07 107.37 1uh6 h GLY 52 Ca 0.56 0.62 0.10 0.00 0.00 0.00 0.00 47.33 48.60 1uh6 h GLY 52 CO -0.63 -0.32 0.61 -0.55 0.00 0.00 0.00 176.54 175.65 1uh6 h ASP 53 N -0.87 0.89 0.24 0.19 3.32 -1.34 -0.77 116.42 118.08 1uh6 h ASP 53 Ca -0.03 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 1uh6 h ASP 53 Cb 0.81 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.21 1uh6 h ASP 53 CO -0.18 0.52 -0.12 0.25 -1.72 0.00 0.00 179.24 177.99 1uh6 h LEU 54 N 0.98 -0.28 -0.94 1.55 7.12 0.47 -2.63 115.31 121.58 1uh6 h LEU 54 Ca 0.44 0.01 0.23 0.00 0.13 0.00 0.00 57.88 58.69 1uh6 h LEU 54 Cb 0.38 0.07 -0.18 0.00 -0.53 0.00 0.00 40.66 40.40 1uh6 h LEU 54 CO -0.20 -0.18 -0.09 0.29 -0.13 0.00 0.00 178.44 178.13 1uh6 n LYS 55 N -2.96 -0.08 -0.18 1.25 5.02 0.34 0.13 118.16 121.69 1uh6 n LYS 55 Ca -0.04 1.44 -0.07 0.00 -2.02 0.00 0.00 58.31 57.62 1uh6 n LYS 55 Cb 0.13 -2.23 -0.01 0.00 -0.02 0.00 0.00 35.03 32.90 1uh6 n LYS 55 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1uh6 h LYS 56 N 0.00 -0.20 0.04 1.97 1.57 -1.01 0.12 116.57 119.07 1uh6 h LYS 56 Ca 0.52 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 59.33 1uh6 h LYS 56 Cb 0.97 0.05 -0.05 0.00 0.08 0.00 0.00 32.23 33.28 1uh6 h LYS 56 CO -0.92 -0.13 -0.53 -0.07 -0.57 0.00 0.00 179.45 177.22 1uh6 h LEU 57 N -0.21 -1.62 -0.25 2.94 3.38 0.15 0.16 115.31 119.87 1uh6 h LEU 57 Ca 0.20 0.18 0.02 0.00 0.09 0.00 0.00 57.88 58.38 1uh6 h LEU 57 Cb 0.55 0.61 -0.04 0.00 0.09 0.00 0.00 40.66 41.88 1uh6 h LEU 57 CO -0.64 -0.53 -0.21 0.40 0.09 0.00 0.00 178.44 177.55 1uh6 h ILE 58 N -0.70 0.00 -1.12 1.22 2.04 -0.54 1.85 117.51 120.26 1uh6 h ILE 58 Ca 0.01 0.00 0.33 0.00 1.00 0.00 0.00 64.86 66.19 1uh6 h ILE 58 Cb 0.73 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.77 1uh6 h ILE 58 CO -0.33 0.00 0.91 0.00 0.00 0.00 0.00 178.15 178.73 1uh6 h ALA 59 N -0.66 3.01 0.18 1.87 0.00 -0.45 1.83 119.26 125.05 1uh6 h ALA 59 Ca 0.04 -0.04 -0.30 0.00 0.00 0.00 0.00 54.91 54.61 1uh6 h ALA 59 Cb 0.19 0.08 0.03 0.00 0.00 0.00 0.00 17.79 18.10 1uh6 h ALA 59 CO -0.28 -1.49 -1.30 0.00 0.00 0.00 0.00 179.25 176.19 1uh6 h ALA 60 N 1.23 -0.09 -0.16 0.00 0.00 0.51 0.88 119.26 121.63 1uh6 h ALA 60 Ca 0.53 -0.80 -0.15 0.00 0.00 0.00 0.00 54.91 54.49 1uh6 h ALA 60 Cb 2.35 0.14 0.00 0.00 0.00 0.00 0.00 17.79 20.29 1uh6 h ALA 60 CO -0.01 0.65 -0.49 1.96 0.00 0.00 0.00 179.25 181.36 1uh6 h GLN 61 N 0.15 0.61 0.00 0.00 1.08 1.33 -3.33 115.11 114.94 1uh6 h GLN 61 Ca -0.21 -0.44 -0.01 0.00 -1.45 0.00 0.00 58.65 56.53 1uh6 h GLN 61 Cb 1.99 0.08 0.00 0.00 -0.05 0.00 0.00 27.48 29.50 1uh6 h GLN 61 CO 0.25 1.06 -0.04 1.79 -0.95 0.00 0.00 178.83 180.94 1uh6 h THR 62 N 0.26 1.78 0.00 -0.54 1.35 0.19 -3.49 112.91 112.47 1uh6 h THR 62 Ca -0.02 -2.35 0.00 0.00 -0.55 0.00 0.00 66.41 63.49 1uh6 h THR 62 Cb 1.11 3.38 0.00 0.00 -1.73 0.00 0.00 68.15 70.91 1uh6 h THR 62 CO 0.10 0.61 0.00 0.61 -0.25 0.00 0.00 175.52 176.59 1uh6 n GLY 63 N 1.61 1.02 0.00 5.82 0.00 0.29 -5.04 105.19 108.89 1uh6 n GLY 63 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -3.90 2.61 -2.24 -0.16 -4.92 114.28 105.67 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 -1.94 -0.08 0.00 -2.10 0.00 0.00 70.33 66.21 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 -2.90 3.80 0.62 -0.78 3.00 -1.26 -4.44 118.95 116.99 1uh6 s ARG 65 Ca 0.00 -0.24 0.38 0.00 0.00 0.00 0.00 55.73 55.87 1uh6 s ARG 65 Cb 0.00 -3.24 2.07 0.00 0.00 0.00 0.00 34.95 33.78 1uh6 s ARG 65 CO 0.00 0.47 2.16 0.11 0.00 0.00 0.00 175.30 178.05 1uh6 h TRP 66 N 6.03 0.00 -0.61 -0.53 5.08 -1.87 1.33 115.95 125.39 1uh6 h TRP 66 Ca -0.45 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.52 1uh6 h TRP 66 Cb 1.18 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.34 1uh6 h TRP 66 CO 0.63 0.00 0.00 0.27 -1.28 0.00 0.00 178.44 178.06 1uh6 n ASN 67 N -2.91 4.28 -1.15 0.11 0.23 -1.26 -3.94 115.26 110.63 1uh6 n ASN 67 Ca -0.03 -2.34 0.05 0.00 -0.53 0.00 0.00 54.58 51.73 1uh6 n ASN 67 Cb 0.14 -0.54 0.09 0.00 -2.08 0.00 0.00 39.78 37.39 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 1.10 0.59 -3.78 -3.83 5.02 0.46 -4.81 118.16 112.90 1uh6 n LYS 68 Ca 0.24 -2.46 -0.28 0.00 -2.02 0.00 0.00 58.31 53.78 1uh6 n LYS 68 Cb 0.79 -0.61 -0.16 0.00 -0.02 0.00 0.00 35.03 35.03 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 -1.19 0.75 -0.31 -0.18 1.01 -1.17 -3.16 121.20 116.96 1uh6 s ILE 69 Ca 0.35 -0.75 -0.09 0.00 0.00 0.00 0.00 60.65 60.16 1uh6 s ILE 69 Cb 0.38 -1.23 -0.00 0.00 0.01 0.00 0.00 42.46 41.61 1uh6 s ILE 69 CO -0.13 -0.21 0.14 -0.69 0.00 0.00 0.00 174.94 174.04 1uh6 s VAL 70 N 1.75 4.47 -0.34 2.92 1.01 0.49 -4.94 120.40 125.76 1uh6 s VAL 70 Ca -0.01 -0.47 -0.11 0.00 0.00 0.00 0.00 61.98 61.39 1uh6 s VAL 70 Cb -0.17 -3.28 -0.00 0.00 0.00 0.00 0.00 36.38 32.92 1uh6 s VAL 70 CO -0.09 0.08 0.21 -0.76 0.00 0.00 0.00 175.10 174.54 1uh6 s LEU 71 N 1.59 4.45 0.31 3.92 1.43 -1.25 -0.99 118.68 128.13 1uh6 s LEU 71 Ca 0.04 -0.60 0.07 0.00 -1.03 0.00 0.00 54.13 52.62 1uh6 s LEU 71 Cb -0.17 -2.07 -0.06 0.00 0.03 0.00 0.00 46.19 43.92 1uh6 s LEU 71 CO 0.05 -0.26 -0.06 -0.54 0.23 0.00 0.00 176.35 175.78 1uh6 s LYS 72 N 1.65 1.66 -0.31 1.70 1.02 0.02 -2.59 119.74 122.90 1uh6 s LYS 72 Ca 0.05 -1.86 -0.02 0.00 0.02 0.00 0.00 55.97 54.16 1uh6 s LYS 72 Cb -0.18 -1.32 0.10 0.00 -0.52 0.00 0.00 37.83 35.91 1uh6 s LYS 72 CO 0.08 0.04 0.12 0.21 -0.92 0.00 0.00 175.35 174.89 1uh6 s LYS 73 N -3.71 0.55 0.01 1.68 2.47 0.17 0.19 119.74 121.11 1uh6 s LYS 73 Ca 0.31 -0.94 0.00 0.00 -1.56 0.00 0.00 55.97 53.78 1uh6 s LYS 73 Cb 0.04 -1.68 0.00 0.00 -1.46 0.00 0.00 37.83 34.73 1uh6 s LYS 73 CO 0.14 -1.02 0.00 0.91 0.16 0.00 0.00 175.35 175.54 1uh6 n TRP 74 N 4.89 0.00 -2.47 4.03 7.02 -1.26 -0.69 117.44 128.96 1uh6 n TRP 74 Ca -0.02 0.00 0.02 0.00 -1.02 0.00 0.00 57.50 56.48 1uh6 n TRP 74 Cb 0.41 0.00 0.01 0.00 -2.42 0.00 0.00 31.31 29.32 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 0.09 -5.06 -5.99 4.01 -1.26 -5.09 117.16 103.87 1uh6 n TYR 75 Ca 0.00 -0.71 -0.28 0.00 -0.16 0.00 0.00 57.90 56.75 1uh6 n TYR 75 Cb 0.00 -0.02 -0.16 0.00 -0.31 0.00 0.00 39.34 38.86 1uh6 n TYR 75 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1uh6 s THR 76 N -0.42 1.73 -0.22 -0.72 2.01 0.13 -5.12 115.64 113.02 1uh6 s THR 76 Ca 0.27 -0.95 -0.10 0.00 0.31 0.00 0.00 61.69 61.22 1uh6 s THR 76 Cb 0.32 -1.44 -0.05 0.00 0.01 0.00 0.00 72.50 71.34 1uh6 s THR 76 CO -0.13 0.47 0.14 -0.63 -0.69 0.00 0.00 174.62 173.79 1uh6 s ILE 77 N -0.53 5.34 -0.52 1.82 1.09 -1.26 -0.65 121.20 126.48 1uh6 s ILE 77 Ca 0.08 0.17 -0.20 0.00 -1.10 0.00 0.00 60.65 59.61 1uh6 s ILE 77 Cb -0.08 -3.47 0.06 0.00 -1.06 0.00 0.00 42.46 37.90 1uh6 s ILE 77 CO -0.01 0.38 0.70 -0.36 -0.10 0.00 0.00 174.94 175.55 1uh6 s PHE 78 N 0.79 2.99 1.07 3.97 0.40 -1.07 -5.01 117.98 121.13 1uh6 s PHE 78 Ca 0.07 -0.47 -0.13 0.00 -0.60 0.00 0.00 56.93 55.80 1uh6 s PHE 78 Cb -0.13 -3.69 0.20 0.00 0.51 0.00 0.00 43.02 39.91 1uh6 s PHE 78 CO 0.02 -1.12 0.83 1.63 0.70 0.00 0.00 175.22 177.28 1uh6 n LYS 79 N 6.45 -1.55 0.12 0.44 4.76 -1.26 -4.79 118.16 122.33 1uh6 n LYS 79 Ca -0.05 -0.41 0.12 0.00 -2.87 0.00 0.00 58.31 55.09 1uh6 n LYS 79 Cb 0.46 -2.12 0.04 0.00 -1.84 0.00 0.00 35.03 31.56 1uh6 n LYS 79 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 1uh6 h ASP 80 N -2.26 0.00 0.84 4.39 3.32 -1.96 -3.25 116.42 117.50 1uh6 h ASP 80 Ca -0.53 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.50 1uh6 h ASP 80 Cb 1.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.86 1uh6 h ASP 80 CO 0.44 0.01 -0.45 0.00 -1.72 0.00 0.00 179.24 177.51 1uh6 n HIS 81 N -2.70 0.38 -3.45 4.55 1.44 -1.26 -2.63 115.22 111.55 1uh6 n HIS 81 Ca 0.01 0.11 -0.38 0.00 -2.01 0.00 0.00 57.72 55.45 1uh6 n HIS 81 Cb 0.54 -0.55 -0.08 0.00 0.12 0.00 0.00 29.99 30.01 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 -3.09 5.23 0.62 0.61 1.01 -1.23 -4.89 120.40 118.66 1uh6 s VAL 82 Ca 0.09 0.59 0.01 0.00 0.00 0.00 0.00 61.98 62.67 1uh6 s VAL 82 Cb 0.15 -3.68 0.12 0.00 0.00 0.00 0.00 36.38 32.97 1uh6 s VAL 82 CO 0.68 0.27 0.85 -1.54 0.00 0.00 0.00 175.10 175.36 1uh6 n SER 83 N 4.48 1.28 -0.13 3.32 3.41 -1.26 -2.34 113.62 122.37 1uh6 n SER 83 Ca -0.10 -2.05 -0.10 0.00 -0.26 0.00 0.00 58.87 56.37 1uh6 n SER 83 Cb 0.51 -0.54 0.03 0.00 -0.26 0.00 0.00 64.21 63.95 1uh6 n SER 83 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1uh6 h LEU 84 N 0.00 0.93 -2.31 1.04 -0.00 -1.72 -2.44 115.31 110.82 1uh6 h LEU 84 Ca -0.28 -0.35 0.03 0.00 -0.00 0.00 0.00 57.88 57.27 1uh6 h LEU 84 Cb 1.07 -0.26 -0.00 0.00 -0.00 0.00 0.00 40.66 41.47 1uh6 h LEU 84 CO 0.31 1.12 0.11 1.23 -0.00 0.00 0.00 178.44 181.22 1uh6 h GLY 85 N 0.91 0.00 0.87 0.83 0.00 -1.89 0.87 103.07 104.65 1uh6 h GLY 85 Ca 0.10 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.28 1uh6 h GLY 85 CO 0.07 0.00 -0.54 -0.55 0.00 0.00 0.00 176.54 175.52 1uh6 h ASP 86 N 0.00 0.61 0.03 0.19 5.19 -1.76 -3.10 116.42 117.58 1uh6 h ASP 86 Ca 0.05 -0.67 0.00 0.00 -0.62 0.00 0.00 57.03 55.79 1uh6 h ASP 86 Cb 0.27 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 39.60 1uh6 h ASP 86 CO -0.00 1.18 -0.03 -1.22 -3.12 0.00 0.00 179.24 176.05 1uh6 n TYR 87 N -4.22 0.00 -4.03 4.55 4.01 -0.29 -4.92 117.16 112.25 1uh6 n TYR 87 Ca -0.09 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.35 1uh6 n TYR 87 Cb 0.62 -0.02 -0.01 0.00 -0.31 0.00 0.00 39.34 39.62 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 -0.16 -3.97 -0.64 -0.72 1.02 0.29 -4.91 120.64 111.55 1uh6 n GLU 88 Ca 0.19 0.46 -0.29 0.00 -0.02 0.00 0.00 57.16 57.50 1uh6 n GLU 88 Cb 0.31 -5.07 0.22 0.00 -0.02 0.00 0.00 31.44 26.89 1uh6 n GLU 88 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1uh6 s ILE 89 N -3.49 2.07 0.08 -3.67 1.01 -0.89 -5.02 121.20 111.29 1uh6 s ILE 89 Ca 0.48 0.02 0.10 0.00 0.00 0.00 0.00 60.65 61.25 1uh6 s ILE 89 Cb -0.25 -2.11 -0.03 0.00 0.01 0.00 0.00 42.46 40.07 1uh6 s ILE 89 CO 0.88 -0.03 -0.26 -1.00 0.00 0.00 0.00 174.94 174.54 1uh6 s HIS 90 N -2.55 2.23 -0.24 3.97 3.76 -1.26 -4.95 115.29 116.25 1uh6 s HIS 90 Ca 0.68 -0.40 -0.29 0.00 -0.15 0.00 0.00 55.06 54.90 1uh6 s HIS 90 Cb -0.24 -1.28 -0.06 0.00 1.11 0.00 0.00 32.58 32.12 1uh6 s HIS 90 CO 0.62 0.21 2.23 -0.40 -0.85 0.00 0.00 174.74 176.55 1uh6 n ASP 91 N 1.41 3.12 0.00 1.40 5.75 -1.26 -1.54 116.55 125.44 1uh6 n ASP 91 Ca -0.18 0.20 0.00 0.00 -0.01 0.00 0.00 54.79 54.81 1uh6 n ASP 91 Cb 0.53 -1.53 0.00 0.00 -1.03 0.00 0.00 41.12 39.09 1uh6 n ASP 91 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1uh6 n GLY 92 N 5.87 1.78 3.81 6.12 0.00 0.69 -4.87 105.19 118.59 1uh6 n GLY 92 Ca 0.31 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.07 3.62 -0.29 1.61 1.75 -0.59 -4.82 119.30 120.52 1uh6 s MET 93 Ca 0.00 1.20 0.03 0.00 -1.25 0.00 0.00 55.69 55.66 1uh6 s MET 93 Cb 0.00 -2.08 0.08 0.00 2.84 0.00 0.00 34.83 35.67 1uh6 s MET 93 CO 0.00 -0.56 -0.02 -0.80 -0.65 0.00 0.00 175.02 172.99 1uh6 s ASN 94 N -2.58 4.41 0.20 1.11 0.01 -1.26 0.94 114.94 117.77 1uh6 s ASN 94 Ca 0.64 -1.66 0.01 0.00 -0.71 0.00 0.00 52.86 51.13 1uh6 s ASN 94 Cb -0.15 -1.44 -0.04 0.00 0.41 0.00 0.00 41.25 40.03 1uh6 s ASN 94 CO 0.30 -0.29 0.38 -0.76 -1.51 0.00 0.00 177.10 175.21 1uh6 s LEU 95 N 1.13 4.24 -0.34 0.60 2.01 0.12 -4.96 118.68 121.49 1uh6 s LEU 95 Ca 0.01 0.32 -0.29 0.00 0.01 0.00 0.00 54.13 54.18 1uh6 s LEU 95 Cb -0.19 -3.10 0.01 0.00 0.01 0.00 0.00 46.19 42.92 1uh6 s LEU 95 CO -0.08 -0.04 1.21 -1.61 1.01 0.00 0.00 176.35 176.84 1uh6 s GLU 96 N -3.43 3.92 -0.02 1.70 0.41 0.52 -2.43 118.70 119.36 1uh6 s GLU 96 Ca 0.37 1.07 -0.20 0.00 -0.41 0.00 0.00 54.97 55.81 1uh6 s GLU 96 Cb -0.11 -3.85 -0.05 0.00 -1.78 0.00 0.00 34.13 28.34 1uh6 s GLU 96 CO 0.29 -1.11 0.56 -1.17 -0.49 0.00 0.00 175.26 173.34 1uh6 s LEU 97 N 4.21 4.41 -0.15 1.80 0.20 -1.00 -0.80 118.68 127.34 1uh6 s LEU 97 Ca 0.52 1.10 -0.09 0.00 0.69 0.00 0.00 54.13 56.34 1uh6 s LEU 97 Cb -0.14 -2.86 0.05 0.00 -0.43 0.00 0.00 46.19 42.82 1uh6 s LEU 97 CO 0.22 0.11 0.38 -0.31 -0.29 0.00 0.00 176.35 176.47 1uh6 s TYR 98 N -0.18 -0.53 -0.02 5.38 2.02 -0.16 -4.63 117.35 119.23 1uh6 s TYR 98 Ca 0.30 1.16 -0.09 0.00 -0.37 0.00 0.00 57.07 58.07 1uh6 s TYR 98 Cb -0.18 0.21 -0.05 0.00 -0.40 0.00 0.00 41.96 41.54 1uh6 s TYR 98 CO 0.16 -0.30 0.28 0.71 -1.57 0.00 0.00 175.55 174.83 1uh6 s TYR 99 N 1.14 3.62 -2.13 2.71 2.02 -1.26 0.18 117.35 123.64 1uh6 s TYR 99 Ca -0.08 0.68 0.31 0.00 -0.37 0.00 0.00 57.07 57.61 1uh6 s TYR 99 Cb -0.08 -2.06 1.69 0.00 -0.40 0.00 0.00 41.96 41.12 1uh6 s TYR 99 CO -0.09 0.64 2.11 1.04 -1.57 0.00 0.00 175.55 177.68