#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 1.53 0.00 3.17 3.01 -1.26 -5.17 119.74 121.01 1uh6 s LYS 2 Ca 0.00 -1.86 0.00 0.00 -1.01 0.00 0.00 55.97 53.10 1uh6 s LYS 2 Cb 0.00 0.18 0.00 0.00 -1.01 0.00 0.00 37.83 37.00 1uh6 s LYS 2 CO 0.00 -0.51 0.00 0.41 0.51 0.00 0.00 175.35 175.76 1uh6 n GLY 3 N -0.50 1.14 3.52 -3.33 0.00 -1.26 -5.19 105.19 99.58 1uh6 n GLY 3 Ca 0.04 -0.31 -0.09 0.00 0.00 0.00 0.00 46.02 45.66 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 0.00 -0.39 0.25 1.61 0.15 -1.26 -5.19 113.70 108.87 1uh6 s SER 4 Ca 0.00 -0.06 -0.09 0.00 0.70 0.00 0.00 55.95 56.50 1uh6 s SER 4 Cb 0.00 0.46 -0.01 0.00 -1.71 0.00 0.00 66.02 64.75 1uh6 s SER 4 CO 0.00 -0.76 0.39 -0.94 1.20 0.00 0.00 173.24 173.14 1uh6 s SER 5 N -2.61 0.08 -0.30 5.45 1.04 -1.26 -5.17 113.70 110.93 1uh6 s SER 5 Ca 0.05 -1.11 -0.25 0.00 0.48 0.00 0.00 55.95 55.12 1uh6 s SER 5 Cb -0.01 0.54 0.19 0.00 0.10 0.00 0.00 66.02 66.84 1uh6 s SER 5 CO -0.08 -1.09 1.42 -2.28 0.98 0.00 0.00 173.24 172.19 1uh6 s HIS 6 N -3.94 -0.08 -0.30 5.02 2.46 -1.26 -5.15 115.29 112.04 1uh6 s HIS 6 Ca 0.27 0.18 -0.11 0.00 0.47 0.00 0.00 55.06 55.88 1uh6 s HIS 6 Cb 0.01 0.48 0.18 0.00 -0.13 0.00 0.00 32.58 33.12 1uh6 s HIS 6 CO 0.11 -0.04 0.98 -1.01 -2.47 0.00 0.00 174.74 172.31 1uh6 s HIS 7 N -0.04 -0.70 0.21 3.88 3.76 -1.26 -5.18 115.29 115.96 1uh6 s HIS 7 Ca 0.07 0.72 0.02 0.00 -0.15 0.00 0.00 55.06 55.72 1uh6 s HIS 7 Cb -0.05 0.24 -0.05 0.00 1.11 0.00 0.00 32.58 33.83 1uh6 s HIS 7 CO -0.15 -0.39 0.01 -1.58 -0.85 0.00 0.00 174.74 171.79 1uh6 s HIS 8 N 2.94 1.42 0.13 1.40 2.46 -1.26 -5.05 115.29 117.33 1uh6 s HIS 8 Ca 0.04 -1.00 0.00 0.00 0.47 0.00 0.00 55.06 54.57 1uh6 s HIS 8 Cb -0.10 -0.82 0.00 0.00 -0.13 0.00 0.00 32.58 31.53 1uh6 s HIS 8 CO -0.13 -0.15 0.00 1.58 -2.47 0.00 0.00 174.74 173.56 1uh6 n HIS 9 N -0.36 -4.19 -3.63 3.88 -0.00 -1.26 -5.08 115.22 104.58 1uh6 n HIS 9 Ca -0.05 2.52 -0.11 0.00 -0.00 0.00 0.00 57.72 60.08 1uh6 n HIS 9 Cb 0.64 -3.48 -0.07 0.00 -0.00 0.00 0.00 29.99 27.08 1uh6 n HIS 9 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 1uh6 s HIS 10 N -0.46 -0.81 0.43 1.57 3.76 -1.26 -5.13 115.29 113.39 1uh6 s HIS 10 Ca 0.00 1.84 0.00 0.00 -0.15 0.00 0.00 55.06 56.75 1uh6 s HIS 10 Cb 0.00 0.39 0.00 0.00 1.11 0.00 0.00 32.58 34.08 1uh6 s HIS 10 CO 0.00 -0.40 0.00 0.72 -0.85 0.00 0.00 174.74 174.21 1uh6 n HIS 11 N 3.14 -3.19 -3.47 1.40 8.25 -1.26 -4.99 115.22 115.11 1uh6 n HIS 11 Ca -0.16 1.72 -0.19 0.00 -0.26 0.00 0.00 57.72 58.84 1uh6 n HIS 11 Cb 0.56 -2.81 -0.01 0.00 1.12 0.00 0.00 29.99 28.86 1uh6 n HIS 11 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1uh6 s SER 12 N -4.63 5.71 -0.08 0.41 0.01 -1.26 -5.06 113.70 108.79 1uh6 s SER 12 Ca 0.00 -0.33 -0.10 0.00 1.31 0.00 0.00 55.95 56.83 1uh6 s SER 12 Cb 0.00 -1.03 -0.04 0.00 0.21 0.00 0.00 66.02 65.15 1uh6 s SER 12 CO 0.00 -0.49 -0.21 -0.24 0.41 0.00 0.00 173.24 172.72 1uh6 n SER 13 N -1.61 1.53 0.00 2.44 2.88 -1.26 -5.13 113.62 112.47 1uh6 n SER 13 Ca 0.01 0.24 0.00 0.00 -1.33 0.00 0.00 58.87 57.80 1uh6 n SER 13 Cb 0.59 -0.56 0.00 0.00 -0.75 0.00 0.00 64.21 63.49 1uh6 n SER 13 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1uh6 n GLY 14 N 2.23 1.35 1.97 0.46 0.00 -1.26 -5.10 105.19 104.84 1uh6 n GLY 14 Ca -0.13 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.25 1uh6 n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uh6 n ALA 15 N -0.26 0.00 -1.35 4.61 0.00 -1.26 -5.13 120.51 117.12 1uh6 n ALA 15 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1uh6 n ALA 15 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1uh6 n ALA 15 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1uh6 n SER 16 N -3.17 -2.20 -2.75 0.00 3.41 -1.26 -4.95 113.62 102.71 1uh6 n SER 16 Ca 0.00 0.85 -0.08 0.00 -0.26 0.00 0.00 58.87 59.38 1uh6 n SER 16 Cb 0.00 -0.96 0.05 0.00 -0.26 0.00 0.00 64.21 63.05 1uh6 n SER 16 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1uh6 n LEU 17 N 1.97 -2.83 -2.80 1.04 4.77 -1.26 -5.04 117.00 112.84 1uh6 n LEU 17 Ca 0.12 -3.36 -0.01 0.00 -0.03 0.00 0.00 56.01 52.73 1uh6 n LEU 17 Cb 0.39 0.85 -0.00 0.00 -2.33 0.00 0.00 43.42 42.33 1uh6 n LEU 17 CO 0.55 2.01 -0.51 0.52 -1.33 0.00 0.00 177.39 178.63 1uh6 n VAL 18 N 1.49-10.09 -1.54 4.08 0.31 -1.26 -4.98 118.33 106.34 1uh6 n VAL 18 Ca 0.09 1.67 -0.29 0.00 -0.01 0.00 0.00 64.34 65.79 1uh6 n VAL 18 Cb 0.64 -6.09 0.12 0.00 -0.91 0.00 0.00 33.84 27.59 1uh6 n VAL 18 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1uh6 s PRO 19 N -1.39 1.54 -0.38 5.55 0.04 -1.26 -5.03 135.00 134.07 1uh6 s PRO 19 Ca -0.03 0.44 0.12 0.00 0.04 0.00 0.00 61.00 61.57 1uh6 s PRO 19 Cb 0.00 -1.87 0.40 0.00 0.04 0.00 0.00 34.50 33.06 1uh6 s PRO 19 CO 0.63 -1.95 1.09 2.89 0.04 0.00 0.00 177.00 179.70 1uh6 n ARG 20 N -3.62 1.12 -2.95 4.56 0.00 -1.26 -5.04 116.66 109.47 1uh6 n ARG 20 Ca 0.07 -2.53 -0.11 0.00 -0.00 0.00 0.00 57.85 55.28 1uh6 n ARG 20 Cb 0.58 -0.84 0.01 0.00 -0.00 0.00 0.00 32.46 32.21 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 -0.14 -1.69 3.49 2.89 0.00 -1.26 -5.05 105.19 103.44 1uh6 n GLY 21 Ca 0.06 0.98 -0.09 0.00 0.00 0.00 0.00 46.02 46.97 1uh6 n GLY 21 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1uh6 s SER 22 N -2.08 -0.43 -0.86 1.61 1.04 -1.26 -5.10 113.70 106.62 1uh6 s SER 22 Ca 0.20 -0.03 -0.25 0.00 0.48 0.00 0.00 55.95 56.36 1uh6 s SER 22 Cb -0.04 0.47 0.05 0.00 0.10 0.00 0.00 66.02 66.59 1uh6 s SER 22 CO 0.74 -0.77 1.33 -1.61 0.98 0.00 0.00 173.24 173.90 1uh6 s GLU 23 N -3.37 3.38 0.07 4.02 2.02 -1.26 -4.18 118.70 119.37 1uh6 s GLU 23 Ca 0.04 -0.73 0.00 0.00 0.02 0.00 0.00 54.97 54.30 1uh6 s GLU 23 Cb -0.01 -4.72 0.00 0.00 0.10 0.00 0.00 34.13 29.50 1uh6 s GLU 23 CO -0.10 -2.14 0.00 0.41 0.02 0.00 0.00 175.26 173.46 1uh6 n GLY 24 N 6.03 -1.85 3.53 -1.39 0.00 -1.26 -5.08 105.19 105.16 1uh6 n GLY 24 Ca 0.16 0.59 -0.38 0.00 0.00 0.00 0.00 46.02 46.39 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 -2.38 0.56 -3.04 4.61 0.00 -1.26 -4.77 120.51 114.24 1uh6 n ALA 25 Ca 0.00 -0.64 -0.15 0.00 0.00 0.00 0.00 53.44 52.65 1uh6 n ALA 25 Cb 0.00 -2.79 -0.04 0.00 0.00 0.00 0.00 19.45 16.62 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 13.50 0.30 -2.59 0.00 0.00 -1.26 -4.37 120.51 126.08 1uh6 n ALA 26 Ca 0.50 -2.00 -0.29 0.00 0.00 0.00 0.00 53.44 51.65 1uh6 n ALA 26 Cb 0.32 -1.15 -0.04 0.00 0.00 0.00 0.00 19.45 18.58 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 0.45 5.08 -0.18 0.00 2.01 -1.26 -4.88 115.64 116.86 1uh6 s THR 27 Ca 0.32 -0.01 -0.13 0.00 0.31 0.00 0.00 61.69 62.17 1uh6 s THR 27 Cb 0.03 -3.71 -0.05 0.00 0.01 0.00 0.00 72.50 68.79 1uh6 s THR 27 CO -0.12 -0.21 0.26 -0.04 -0.69 0.00 0.00 174.62 173.81 1uh6 s MET 28 N -3.30 4.23 -0.03 4.92 -1.94 -1.26 -2.16 119.30 119.76 1uh6 s MET 28 Ca 0.42 0.02 -0.05 0.00 -1.71 0.00 0.00 55.69 54.37 1uh6 s MET 28 Cb -0.11 -3.44 0.01 0.00 2.01 0.00 0.00 34.83 33.30 1uh6 s MET 28 CO 0.28 0.23 0.11 0.96 -0.01 0.00 0.00 175.02 176.59 1uh6 s ILE 29 N 0.52 0.04 -0.18 2.53 -4.36 0.22 -4.98 121.20 114.99 1uh6 s ILE 29 Ca 0.14 -0.30 -0.07 0.00 -0.26 0.00 0.00 60.65 60.16 1uh6 s ILE 29 Cb -0.13 -0.27 -0.04 0.00 1.25 0.00 0.00 42.46 43.28 1uh6 s ILE 29 CO 0.03 -0.17 0.05 -0.70 0.24 0.00 0.00 174.94 174.39 1uh6 s GLU 30 N -0.53 3.93 0.51 0.37 2.12 -1.26 -1.86 118.70 121.98 1uh6 s GLU 30 Ca -0.06 -0.37 0.09 0.00 0.36 0.00 0.00 54.97 54.99 1uh6 s GLU 30 Cb -0.04 -3.18 0.06 0.00 0.26 0.00 0.00 34.13 31.22 1uh6 s GLU 30 CO 0.00 0.26 0.70 0.14 -0.54 0.00 0.00 175.26 175.82 1uh6 s VAL 31 N 0.40 2.48 -0.13 3.70 -7.23 -0.95 0.95 120.40 119.63 1uh6 s VAL 31 Ca 0.02 -1.01 -0.01 0.00 -1.81 0.00 0.00 61.98 59.17 1uh6 s VAL 31 Cb -0.13 -2.49 0.04 0.00 0.56 0.00 0.00 36.38 34.36 1uh6 s VAL 31 CO 0.01 0.00 -0.02 -0.69 -0.31 0.00 0.00 175.10 174.09 1uh6 s VAL 32 N -2.54 0.67 -0.46 1.32 1.01 -0.33 -2.95 120.40 117.12 1uh6 s VAL 32 Ca 0.59 -0.25 -0.18 0.00 0.00 0.00 0.00 61.98 62.14 1uh6 s VAL 32 Cb -0.07 -0.89 0.04 0.00 0.00 0.00 0.00 36.38 35.46 1uh6 s VAL 32 CO 0.36 0.15 0.51 0.00 0.00 0.00 0.00 175.10 176.12 1uh6 s ASN 34 N 2.22 5.94 0.69 0.00 0.01 -0.60 -2.28 114.94 120.92 1uh6 s ASN 34 Ca 0.13 -0.26 -0.03 0.00 -0.71 0.00 0.00 52.86 51.98 1uh6 s ASN 34 Cb -0.19 -2.55 0.09 0.00 0.41 0.00 0.00 41.25 39.01 1uh6 s ASN 34 CO 0.12 -1.97 0.97 1.51 -1.51 0.00 0.00 177.10 176.22 1uh6 s ASP 35 N 4.83 4.60 -0.21 -1.22 1.47 -1.26 -1.31 116.67 123.56 1uh6 s ASP 35 Ca 0.43 0.00 0.12 0.00 1.18 0.00 0.00 52.55 54.29 1uh6 s ASP 35 Cb -0.09 -0.56 0.72 0.00 -0.34 0.00 0.00 42.92 42.66 1uh6 s ASP 35 CO 0.16 -1.68 1.60 0.54 0.68 0.00 0.00 175.17 176.47 1uh6 n ARG 36 N -2.81 4.43 0.05 2.11 5.12 -1.26 -4.02 116.66 120.27 1uh6 n ARG 36 Ca 0.11 -2.78 0.00 0.00 -1.93 0.00 0.00 57.85 53.26 1uh6 n ARG 36 Cb 0.60 -2.18 -0.07 0.00 -1.16 0.00 0.00 32.46 29.65 1uh6 n ARG 36 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 1uh6 h LEU 37 N 3.50 0.00 0.00 0.55 3.38 -1.99 -3.48 115.31 117.27 1uh6 h LEU 37 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1uh6 h LEU 37 Cb 1.82 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.57 1uh6 h LEU 37 CO 0.44 0.56 0.00 0.61 0.09 0.00 0.00 178.44 180.14 1uh6 n GLY 38 N 1.37 1.45 3.68 0.83 0.00 -1.26 -5.08 105.19 106.19 1uh6 n GLY 38 Ca -0.08 -0.42 -0.35 0.00 0.00 0.00 0.00 46.02 45.17 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 3.00 0.75 1.61 -2.85 -1.26 -5.02 119.74 115.97 1uh6 s LYS 39 Ca 0.00 -0.40 -0.12 0.00 -1.00 0.00 0.00 55.97 54.45 1uh6 s LYS 39 Cb 0.00 -2.80 0.04 0.00 -2.06 0.00 0.00 37.83 33.01 1uh6 s LYS 39 CO 0.00 0.70 1.12 0.15 0.10 0.00 0.00 175.35 177.41 1uh6 s LYS 40 N -0.87 2.48 -0.08 1.78 1.02 -1.26 -4.35 119.74 118.46 1uh6 s LYS 40 Ca 0.13 0.41 0.01 0.00 0.02 0.00 0.00 55.97 56.54 1uh6 s LYS 40 Cb -0.11 -1.98 0.02 0.00 -0.52 0.00 0.00 37.83 35.23 1uh6 s LYS 40 CO 0.02 -1.29 -0.09 0.08 -0.92 0.00 0.00 175.35 173.15 1uh6 s VAL 41 N -3.37 0.97 -0.14 3.17 1.01 -0.97 -4.97 120.40 116.11 1uh6 s VAL 41 Ca 0.60 -0.33 -0.06 0.00 0.00 0.00 0.00 61.98 62.19 1uh6 s VAL 41 Cb -0.12 -0.95 -0.04 0.00 0.00 0.00 0.00 36.38 35.28 1uh6 s VAL 41 CO 0.52 0.34 0.06 -0.13 0.00 0.00 0.00 175.10 175.89 1uh6 s ARG 42 N 1.14 3.61 -0.01 2.72 0.52 -1.26 -0.46 118.95 125.21 1uh6 s ARG 42 Ca -0.06 -0.31 0.02 0.00 -0.52 0.00 0.00 55.73 54.86 1uh6 s ARG 42 Cb -0.14 -3.10 -0.00 0.00 0.52 0.00 0.00 34.95 32.22 1uh6 s ARG 42 CO -0.02 0.49 -0.08 0.08 0.02 0.00 0.00 175.30 175.80 1uh6 s VAL 43 N -0.24 0.63 0.00 3.52 1.01 -1.15 -4.99 120.40 119.18 1uh6 s VAL 43 Ca 0.08 -0.31 -0.25 0.00 0.00 0.00 0.00 61.98 61.50 1uh6 s VAL 43 Cb -0.12 -0.55 -0.05 0.00 0.00 0.00 0.00 36.38 35.67 1uh6 s VAL 43 CO 0.01 0.19 0.75 -1.59 0.00 0.00 0.00 175.10 174.47 1uh6 s LYS 44 N -0.02 4.47 0.29 2.72 -2.85 -1.26 -2.23 119.74 120.86 1uh6 s LYS 44 Ca 0.01 1.02 -0.11 0.00 -1.00 0.00 0.00 55.97 55.88 1uh6 s LYS 44 Cb -0.05 -3.39 0.01 0.00 -2.06 0.00 0.00 37.83 32.33 1uh6 s LYS 44 CO -0.00 0.20 0.53 0.00 0.10 0.00 0.00 175.35 176.18 1uh6 s ASN 46 N -3.07 3.22 0.47 0.00 0.01 -1.26 -0.61 114.94 113.70 1uh6 s ASN 46 Ca 0.23 -1.14 0.27 0.00 -0.71 0.00 0.00 52.86 51.51 1uh6 s ASN 46 Cb -0.02 -0.25 0.91 0.00 0.41 0.00 0.00 41.25 42.30 1uh6 s ASN 46 CO 0.12 -0.20 1.81 0.71 -1.51 0.00 0.00 177.10 178.03 1uh6 h THR 47 N 2.23 0.22 0.00 1.60 1.35 -1.77 -2.66 112.91 113.88 1uh6 h THR 47 Ca -0.40 -0.92 -0.08 0.00 -0.55 0.00 0.00 66.41 64.46 1uh6 h THR 47 Cb 1.24 1.76 -0.01 0.00 -1.73 0.00 0.00 68.15 69.41 1uh6 h THR 47 CO 0.66 0.10 -0.37 -0.78 -0.25 0.00 0.00 175.52 174.88 1uh6 h ASP 48 N 0.00 0.00 -4.10 5.36 3.58 -1.83 -3.34 116.42 116.09 1uh6 h ASP 48 Ca -0.00 0.00 -0.50 0.00 0.42 0.00 0.00 57.03 56.95 1uh6 h ASP 48 Cb 0.75 0.00 0.05 0.00 1.72 0.00 0.00 39.33 41.85 1uh6 h ASP 48 CO 0.01 0.37 0.32 -1.81 -2.88 0.00 0.00 179.24 175.25 1uh6 s ASP 49 N -6.52 6.28 0.29 2.28 1.01 -1.00 -4.98 116.67 114.02 1uh6 s ASP 49 Ca -0.01 1.28 0.08 0.00 0.71 0.00 0.00 52.55 54.61 1uh6 s ASP 49 Cb 0.12 -2.40 -0.04 0.00 1.01 0.00 0.00 42.92 41.61 1uh6 s ASP 49 CO 0.69 -0.75 0.15 0.42 0.21 0.00 0.00 175.17 175.89 1uh6 s THR 50 N -2.99 3.75 0.45 -1.27 -4.23 -1.26 -3.68 115.64 106.41 1uh6 s THR 50 Ca 0.53 -1.58 0.30 0.00 -1.18 0.00 0.00 61.69 59.76 1uh6 s THR 50 Cb -0.11 -3.14 0.49 0.00 1.34 0.00 0.00 72.50 71.09 1uh6 s THR 50 CO 0.49 -0.29 1.68 0.40 -0.54 0.00 0.00 174.62 176.36 1uh6 h ILE 51 N 1.55 0.26 0.45 2.99 1.08 -0.98 0.39 117.51 123.25 1uh6 h ILE 51 Ca -0.46 -0.05 -0.01 0.00 -0.39 0.00 0.00 64.86 63.95 1uh6 h ILE 51 Cb 1.25 0.10 -0.01 0.00 -3.07 0.00 0.00 36.82 35.09 1uh6 h ILE 51 CO 0.61 0.03 -0.29 1.23 -0.69 0.00 0.00 178.15 179.03 1uh6 h GLY 52 N 0.15 -0.76 2.00 5.37 0.00 -1.43 0.93 103.07 109.32 1uh6 h GLY 52 Ca 0.73 0.33 -0.04 0.00 0.00 0.00 0.00 47.33 48.35 1uh6 h GLY 52 CO -0.29 -0.28 -0.18 -0.55 0.00 0.00 0.00 176.54 175.23 1uh6 h ASP 53 N -0.72 0.00 0.46 0.19 5.19 -0.62 -2.33 116.42 118.59 1uh6 h ASP 53 Ca -0.05 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.34 1uh6 h ASP 53 Cb 0.60 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.11 1uh6 h ASP 53 CO 0.03 0.18 -0.22 0.25 -3.12 0.00 0.00 179.24 176.37 1uh6 h LEU 54 N 0.00 -0.52 -0.81 1.55 5.85 -0.10 -2.79 115.31 118.49 1uh6 h LEU 54 Ca -0.00 -0.05 0.16 0.00 0.84 0.00 0.00 57.88 58.82 1uh6 h LEU 54 Cb 0.34 0.13 -0.15 0.00 0.37 0.00 0.00 40.66 41.35 1uh6 h LEU 54 CO 0.02 -0.10 -0.23 0.11 -0.34 0.00 0.00 178.44 177.90 1uh6 h LYS 55 N -1.09 -0.02 -0.26 1.25 1.57 0.11 0.21 116.57 118.34 1uh6 h LYS 55 Ca -0.06 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.77 1uh6 h LYS 55 Cb 0.54 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.78 1uh6 h LYS 55 CO 0.10 -0.01 -0.49 0.87 -0.57 0.00 0.00 179.45 179.35 1uh6 h LYS 56 N -0.02 -0.44 -0.47 3.15 1.57 -1.44 -0.24 116.57 118.68 1uh6 h LYS 56 Ca 0.37 0.03 0.05 0.00 -1.87 0.00 0.00 60.65 59.23 1uh6 h LYS 56 Cb 0.59 0.10 -0.07 0.00 0.08 0.00 0.00 32.23 32.94 1uh6 h LYS 56 CO -0.84 -0.30 -0.37 -0.07 -0.57 0.00 0.00 179.45 177.31 1uh6 h LEU 57 N -0.46 -1.31 -0.45 2.94 3.38 -0.34 0.93 115.31 120.00 1uh6 h LEU 57 Ca 0.08 0.19 0.04 0.00 0.09 0.00 0.00 57.88 58.28 1uh6 h LEU 57 Cb 0.63 0.56 -0.06 0.00 0.09 0.00 0.00 40.66 41.88 1uh6 h LEU 57 CO -0.50 -0.20 -0.33 0.40 0.09 0.00 0.00 178.44 177.90 1uh6 h ILE 58 N -0.12 0.00 -1.03 1.22 2.04 -0.55 1.81 117.51 120.88 1uh6 h ILE 58 Ca 0.08 0.00 0.27 0.00 1.00 0.00 0.00 64.86 66.21 1uh6 h ILE 58 Cb 0.32 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.33 1uh6 h ILE 58 CO -0.50 0.00 0.70 0.00 0.00 0.00 0.00 178.15 178.34 1uh6 h ALA 59 N -0.30 2.57 -0.11 1.87 0.00 0.22 1.62 119.26 125.13 1uh6 h ALA 59 Ca 0.07 0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.82 1uh6 h ALA 59 Cb 0.27 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1uh6 h ALA 59 CO -0.47 -0.91 -0.67 0.00 0.00 0.00 0.00 179.25 177.20 1uh6 h ALA 60 N 1.55 0.63 0.05 0.00 0.00 0.97 1.48 119.26 123.94 1uh6 h ALA 60 Ca 0.54 -0.57 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1uh6 h ALA 60 Cb 1.68 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.41 1uh6 h ALA 60 CO -0.15 0.73 -0.02 1.96 0.00 0.00 0.00 179.25 181.77 1uh6 h GLN 61 N 0.33 -0.06 -0.27 0.00 1.08 1.14 -3.35 115.11 113.98 1uh6 h GLN 61 Ca -0.02 0.00 -0.19 0.00 -1.45 0.00 0.00 58.65 56.99 1uh6 h GLN 61 Cb 1.23 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.68 1uh6 h GLN 61 CO 0.12 0.53 -0.59 1.79 -0.95 0.00 0.00 178.83 179.74 1uh6 h THR 62 N -0.93 1.27 0.00 -0.54 1.35 0.17 -3.47 112.91 110.76 1uh6 h THR 62 Ca -0.01 -1.77 0.00 0.00 -0.55 0.00 0.00 66.41 64.08 1uh6 h THR 62 Cb 0.62 1.68 0.00 0.00 -1.73 0.00 0.00 68.15 68.72 1uh6 h THR 62 CO 0.01 0.58 0.00 0.61 -0.25 0.00 0.00 175.52 176.47 1uh6 n GLY 63 N 0.42 0.75 0.00 5.82 0.00 0.49 -5.04 105.19 107.63 1uh6 n GLY 63 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.00 0.00 -4.22 2.61 -2.24 -0.34 -4.89 114.28 104.20 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 -1.51 -0.10 0.00 -2.10 0.00 0.00 70.33 66.62 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 -2.11 3.55 0.62 -0.78 3.00 -1.26 -4.46 118.95 117.51 1uh6 s ARG 65 Ca 0.00 -0.40 0.34 0.00 0.00 0.00 0.00 55.73 55.68 1uh6 s ARG 65 Cb 0.00 -3.00 1.95 0.00 0.00 0.00 0.00 34.95 33.90 1uh6 s ARG 65 CO 0.00 0.43 2.22 0.11 0.00 0.00 0.00 175.30 178.06 1uh6 h TRP 66 N 6.10 0.00 -0.11 -0.53 5.08 -1.87 1.42 115.95 126.05 1uh6 h TRP 66 Ca -0.41 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.56 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 0.59 0.00 0.00 0.27 -1.28 0.00 0.00 178.44 178.02 1uh6 n ASN 67 N -3.51 1.43 -1.69 0.11 0.23 -1.26 -3.56 115.26 107.00 1uh6 n ASN 67 Ca -0.02 -1.61 -0.07 0.00 -0.53 0.00 0.00 54.58 52.35 1uh6 n ASN 67 Cb 0.17 -0.07 0.08 0.00 -2.08 0.00 0.00 39.78 37.88 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 0.15 2.19 -3.76 -3.83 4.76 0.49 -4.74 118.16 113.40 1uh6 n LYS 68 Ca 0.17 -3.50 -0.22 0.00 -2.87 0.00 0.00 58.31 51.89 1uh6 n LYS 68 Cb 0.31 -1.65 -0.18 0.00 -1.84 0.00 0.00 35.03 31.67 1uh6 n LYS 68 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1uh6 s ILE 69 N -3.43 0.23 -0.15 -0.18 1.01 -1.14 -3.40 121.20 114.15 1uh6 s ILE 69 Ca 0.40 0.20 0.02 0.00 0.00 0.00 0.00 60.65 61.27 1uh6 s ILE 69 Cb 0.38 -0.41 0.00 0.00 0.01 0.00 0.00 42.46 42.45 1uh6 s ILE 69 CO -0.04 0.23 -0.19 -0.69 0.00 0.00 0.00 174.94 174.25 1uh6 s VAL 70 N 1.93 2.32 -0.33 2.92 1.01 0.49 -4.94 120.40 123.81 1uh6 s VAL 70 Ca 0.03 -0.89 -0.11 0.00 0.00 0.00 0.00 61.98 61.02 1uh6 s VAL 70 Cb -0.12 -1.95 -0.00 0.00 0.00 0.00 0.00 36.38 34.30 1uh6 s VAL 70 CO -0.04 0.53 0.18 -0.76 0.00 0.00 0.00 175.10 175.01 1uh6 s LEU 71 N 0.81 4.29 0.09 3.92 2.01 -1.26 -0.84 118.68 127.69 1uh6 s LEU 71 Ca -0.06 -0.57 0.09 0.00 0.01 0.00 0.00 54.13 53.60 1uh6 s LEU 71 Cb -0.15 -2.04 -0.03 0.00 0.01 0.00 0.00 46.19 43.97 1uh6 s LEU 71 CO -0.01 -0.23 -0.25 -0.54 1.01 0.00 0.00 176.35 176.33 1uh6 s LYS 72 N 1.63 1.49 -0.36 1.70 1.02 -0.52 -2.16 119.74 122.53 1uh6 s LYS 72 Ca 0.05 -1.18 0.03 0.00 0.02 0.00 0.00 55.97 54.88 1uh6 s LYS 72 Cb -0.17 -1.79 0.11 0.00 -0.52 0.00 0.00 37.83 35.45 1uh6 s LYS 72 CO 0.07 0.44 0.10 0.21 -0.92 0.00 0.00 175.35 175.26 1uh6 s LYS 73 N -1.64 1.34 0.63 1.68 2.47 0.02 -0.16 119.74 124.09 1uh6 s LYS 73 Ca 0.11 -1.79 0.00 0.00 -1.56 0.00 0.00 55.97 52.74 1uh6 s LYS 73 Cb -0.10 -2.85 0.00 0.00 -1.46 0.00 0.00 37.83 33.42 1uh6 s LYS 73 CO 0.04 -0.99 0.00 0.91 0.16 0.00 0.00 175.35 175.47 1uh6 n TRP 74 N 4.19 0.00 0.00 4.03 7.02 -1.26 -1.44 117.44 129.98 1uh6 n TRP 74 Ca 0.03 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.51 1uh6 n TRP 74 Cb 0.40 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.29 1uh6 n TRP 74 CO 0.00 0.00 0.00 2.48 -2.02 0.00 0.00 177.69 178.15 1uh6 n TYR 75 N 0.00 0.00 -1.46 -5.99 0.18 -1.26 -5.07 117.16 103.56 1uh6 n TYR 75 Ca 0.00 0.00 -0.34 0.00 1.88 0.00 0.00 57.90 59.44 1uh6 n TYR 75 Cb 0.00 0.00 0.09 0.00 -0.38 0.00 0.00 39.34 39.05 1uh6 n TYR 75 CO 0.00 0.00 0.00 0.99 -2.08 0.00 0.00 176.86 175.77 1uh6 s THR 76 N -1.80 2.41 0.04 -3.48 2.01 -0.52 -5.03 115.64 109.26 1uh6 s THR 76 Ca 0.00 0.20 0.08 0.00 0.31 0.00 0.00 61.69 62.28 1uh6 s THR 76 Cb 0.00 -2.76 -0.03 0.00 0.01 0.00 0.00 72.50 69.72 1uh6 s THR 76 CO 0.00 -0.11 -0.23 -0.63 -0.69 0.00 0.00 174.62 172.96 1uh6 s ILE 77 N -2.03 2.43 -0.20 1.82 1.09 -1.26 -0.80 121.20 122.26 1uh6 s ILE 77 Ca 0.73 -1.28 -0.10 0.00 -1.10 0.00 0.00 60.65 58.90 1uh6 s ILE 77 Cb -0.28 -1.98 -0.05 0.00 -1.06 0.00 0.00 42.46 39.09 1uh6 s ILE 77 CO 0.45 0.37 0.14 -0.36 -0.10 0.00 0.00 174.94 175.43 1uh6 s PHE 78 N -0.85 3.42 1.13 3.97 0.40 -0.92 -4.97 117.98 120.16 1uh6 s PHE 78 Ca 0.13 0.34 -0.17 0.00 -0.60 0.00 0.00 56.93 56.63 1uh6 s PHE 78 Cb -0.10 -2.16 0.25 0.00 0.51 0.00 0.00 43.02 41.52 1uh6 s PHE 78 CO 0.03 0.30 1.12 0.15 0.70 0.00 0.00 175.22 177.53 1uh6 s LYS 79 N 0.32 -0.65 0.00 0.44 -0.14 -1.26 -4.69 119.74 113.76 1uh6 s LYS 79 Ca 0.08 0.04 0.24 0.00 -1.36 0.00 0.00 55.97 54.97 1uh6 s LYS 79 Cb -0.11 -1.65 0.43 0.00 -1.68 0.00 0.00 37.83 34.81 1uh6 s LYS 79 CO -0.02 -3.35 1.39 -0.25 -0.76 0.00 0.00 175.35 172.36 1uh6 n ASP 80 N -4.52 2.75 -2.55 2.83 8.00 -1.26 -4.15 116.55 117.65 1uh6 n ASP 80 Ca 0.11 -1.89 -0.12 0.00 0.71 0.00 0.00 54.79 53.60 1uh6 n ASP 80 Cb 0.59 -0.06 0.03 0.00 -0.02 0.00 0.00 41.12 41.66 1uh6 n ASP 80 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1uh6 n HIS 81 N 1.11 1.90 -4.48 1.24 1.44 -1.26 -1.27 115.22 113.90 1uh6 n HIS 81 Ca 0.16 -2.46 -0.26 0.00 -2.01 0.00 0.00 57.72 53.15 1uh6 n HIS 81 Cb 0.54 -0.27 -0.17 0.00 0.12 0.00 0.00 29.99 30.22 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 -4.09 1.24 0.49 0.61 1.01 -1.26 -4.92 120.40 113.48 1uh6 s VAL 82 Ca 0.36 -0.51 -0.19 0.00 0.00 0.00 0.00 61.98 61.63 1uh6 s VAL 82 Cb 0.39 -1.14 -0.08 0.00 0.00 0.00 0.00 36.38 35.54 1uh6 s VAL 82 CO -0.02 0.38 1.01 -0.94 0.00 0.00 0.00 175.10 175.53 1uh6 s SER 83 N 0.87 6.46 0.45 3.32 1.04 -1.26 -0.49 113.70 124.09 1uh6 s SER 83 Ca -0.10 1.80 0.12 0.00 0.48 0.00 0.00 55.95 58.25 1uh6 s SER 83 Cb -0.15 -2.54 1.01 0.00 0.10 0.00 0.00 66.02 64.44 1uh6 s SER 83 CO 0.01 -0.70 2.04 -0.07 0.98 0.00 0.00 173.24 175.50 1uh6 h LEU 84 N 1.41 0.14 -0.80 2.42 -0.00 -1.68 0.72 115.31 117.52 1uh6 h LEU 84 Ca -0.49 -0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.38 1uh6 h LEU 84 Cb 1.20 -0.04 0.00 0.00 -0.00 0.00 0.00 40.66 41.83 1uh6 h LEU 84 CO 0.60 0.20 0.00 0.61 -0.00 0.00 0.00 178.44 179.85 1uh6 n GLY 85 N -1.24 -1.16 0.14 0.83 0.00 -1.26 -1.43 105.19 101.07 1uh6 n GLY 85 Ca -0.01 0.10 -0.21 0.00 0.00 0.00 0.00 46.02 45.90 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 0.66 -0.26 1.61 3.32 -1.19 -3.20 116.42 117.36 1uh6 h ASP 86 Ca 0.00 -0.86 0.00 0.00 0.02 0.00 0.00 57.03 56.19 1uh6 h ASP 86 Cb 0.28 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.62 1uh6 h ASP 86 CO 0.00 1.45 0.00 -1.22 -1.72 0.00 0.00 179.24 177.75 1uh6 n TYR 87 N -4.00 0.34 -3.35 4.55 4.01 -0.93 -4.90 117.16 112.88 1uh6 n TYR 87 Ca -0.13 -0.17 -0.24 0.00 -0.16 0.00 0.00 57.90 57.19 1uh6 n TYR 87 Cb 0.87 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.91 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 0.40 -4.33 -1.50 -0.72 1.02 -0.71 -4.90 120.64 109.90 1uh6 n GLU 88 Ca 0.14 0.64 -0.35 0.00 -0.02 0.00 0.00 57.16 57.56 1uh6 n GLU 88 Cb 0.30 -5.44 0.09 0.00 -0.02 0.00 0.00 31.44 26.37 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 -3.08 2.12 0.43 -3.67 1.01 -0.51 -5.02 121.20 112.48 1uh6 s ILE 89 Ca 0.42 0.07 0.03 0.00 0.00 0.00 0.00 60.65 61.17 1uh6 s ILE 89 Cb -0.21 -2.78 0.03 0.00 0.01 0.00 0.00 42.46 39.52 1uh6 s ILE 89 CO 0.52 -0.03 0.26 1.41 0.00 0.00 0.00 174.94 177.10 1uh6 n HIS 90 N -2.49 -0.46 -3.09 3.97 8.25 -1.26 -4.87 115.22 115.27 1uh6 n HIS 90 Ca 0.15 -1.86 -0.44 0.00 -0.26 0.00 0.00 57.72 55.31 1uh6 n HIS 90 Cb 0.49 -0.34 -0.05 0.00 1.12 0.00 0.00 29.99 31.22 1uh6 n HIS 90 CO 0.00 0.00 0.00 0.16 0.64 0.00 0.00 176.34 177.14 1uh6 s ASP 91 N -3.47 6.19 0.00 0.41 1.47 -1.26 -3.67 116.67 116.34 1uh6 s ASP 91 Ca 0.20 -1.27 0.00 0.00 1.18 0.00 0.00 52.55 52.65 1uh6 s ASP 91 Cb -0.02 -2.31 0.00 0.00 -0.34 0.00 0.00 42.92 40.25 1uh6 s ASP 91 CO 0.13 -1.10 0.00 0.61 0.68 0.00 0.00 175.17 175.49 1uh6 n GLY 92 N 5.26 1.52 3.73 2.12 0.00 0.27 -4.82 105.19 113.26 1uh6 n GLY 92 Ca -0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.14 2.43 -0.20 1.61 1.75 -1.24 -4.76 119.30 118.75 1uh6 s MET 93 Ca 0.00 1.88 -0.04 0.00 -1.25 0.00 0.00 55.69 56.29 1uh6 s MET 93 Cb 0.00 -1.85 -0.01 0.00 2.84 0.00 0.00 34.83 35.80 1uh6 s MET 93 CO 0.00 -1.65 -0.05 -0.80 -0.65 0.00 0.00 175.02 171.88 1uh6 s ASN 94 N -1.72 4.37 0.38 1.11 0.01 -1.26 -1.18 114.94 116.64 1uh6 s ASN 94 Ca 0.78 -0.34 0.06 0.00 -0.71 0.00 0.00 52.86 52.64 1uh6 s ASN 94 Cb -0.32 -1.74 -0.07 0.00 0.41 0.00 0.00 41.25 39.52 1uh6 s ASN 94 CO 0.41 0.02 0.03 -0.76 -1.51 0.00 0.00 177.10 175.29 1uh6 s LEU 95 N 1.22 2.63 -0.38 0.60 1.43 -0.38 -4.98 118.68 118.82 1uh6 s LEU 95 Ca 0.03 -1.37 -0.16 0.00 -1.03 0.00 0.00 54.13 51.60 1uh6 s LEU 95 Cb -0.14 -0.72 0.01 0.00 0.03 0.00 0.00 46.19 45.37 1uh6 s LEU 95 CO -0.01 -0.51 0.36 -1.61 0.23 0.00 0.00 176.35 174.81 1uh6 s GLU 96 N -3.77 3.26 -0.11 1.70 0.41 0.78 -1.55 118.70 119.41 1uh6 s GLU 96 Ca 0.36 -0.69 -0.20 0.00 -0.41 0.00 0.00 54.97 54.02 1uh6 s GLU 96 Cb 0.10 -3.90 -0.04 0.00 -1.78 0.00 0.00 34.13 28.51 1uh6 s GLU 96 CO 0.17 -0.68 0.58 -1.17 -0.49 0.00 0.00 175.26 173.67 1uh6 s LEU 97 N 1.96 4.27 0.02 1.80 2.96 -0.43 -1.44 118.68 127.82 1uh6 s LEU 97 Ca 0.10 0.96 0.01 0.00 -0.22 0.00 0.00 54.13 54.97 1uh6 s LEU 97 Cb -0.17 -2.87 -0.02 0.00 0.50 0.00 0.00 46.19 43.63 1uh6 s LEU 97 CO 0.12 -0.08 -0.04 -0.31 -1.32 0.00 0.00 176.35 174.72 1uh6 s TYR 98 N 0.86 0.37 -0.09 5.38 2.02 -0.02 -4.50 117.35 121.37 1uh6 s TYR 98 Ca 0.31 -0.42 -0.01 0.00 -0.37 0.00 0.00 57.07 56.58 1uh6 s TYR 98 Cb -0.16 -0.24 -0.03 0.00 -0.40 0.00 0.00 41.96 41.13 1uh6 s TYR 98 CO 0.13 -0.12 -0.06 0.71 -1.57 0.00 0.00 175.55 174.64 1uh6 s TYR 99 N -1.15 2.97 -2.00 2.71 2.02 -1.26 0.19 117.35 120.82 1uh6 s TYR 99 Ca -0.11 -0.08 0.19 0.00 -0.37 0.00 0.00 57.07 56.70 1uh6 s TYR 99 Cb -0.08 -1.78 1.11 0.00 -0.40 0.00 0.00 41.96 40.81 1uh6 s TYR 99 CO -0.00 0.22 1.51 1.04 -1.57 0.00 0.00 175.55 176.75