#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 -1.17 0.00 0.03 5.02 -1.26 -4.94 118.16 115.84 1uh6 n LYS 2 Ca 0.00 -0.33 0.00 0.00 -2.02 0.00 0.00 58.31 55.96 1uh6 n LYS 2 Cb 0.00 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.55 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 2.52 -0.50 3.52 0.72 0.00 -1.26 -5.13 105.19 105.07 1uh6 n GLY 3 Ca 0.00 -0.06 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 1uh6 n GLY 3 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1uh6 n SER 4 N 0.00 0.12 -2.54 1.61 2.88 -1.26 -4.07 113.62 110.37 1uh6 n SER 4 Ca 0.00 1.02 -0.02 0.00 -1.33 0.00 0.00 58.87 58.54 1uh6 n SER 4 Cb 0.00 -1.20 -0.02 0.00 -0.75 0.00 0.00 64.21 62.24 1uh6 n SER 4 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1uh6 n SER 5 N 1.12 -4.65 -4.60 -3.46 2.88 -1.26 -4.87 113.62 98.79 1uh6 n SER 5 Ca 0.11 1.25 -0.43 0.00 -1.33 0.00 0.00 58.87 58.47 1uh6 n SER 5 Cb 0.36 -4.84 -0.02 0.00 -0.75 0.00 0.00 64.21 58.96 1uh6 n SER 5 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 1uh6 s HIS 6 N -1.12 2.75 -0.30 0.66 2.46 -1.26 -4.93 115.29 113.55 1uh6 s HIS 6 Ca -0.10 0.67 -0.15 0.00 0.47 0.00 0.00 55.06 55.94 1uh6 s HIS 6 Cb 0.01 -4.45 0.17 0.00 -0.13 0.00 0.00 32.58 28.17 1uh6 s HIS 6 CO 0.70 -1.38 0.99 -1.58 -2.47 0.00 0.00 174.74 171.01 1uh6 s HIS 7 N 4.62 -0.68 -0.10 3.88 5.65 -1.26 -5.04 115.29 122.36 1uh6 s HIS 7 Ca 0.48 1.17 -0.02 0.00 0.25 0.00 0.00 55.06 56.93 1uh6 s HIS 7 Cb -0.08 0.40 0.00 0.00 -1.18 0.00 0.00 32.58 31.73 1uh6 s HIS 7 CO 0.31 -0.34 0.12 0.72 -0.65 0.00 0.00 174.74 174.91 1uh6 n HIS 8 N 4.99 -0.66 -3.26 3.88 -0.00 -1.26 -5.03 115.22 113.86 1uh6 n HIS 8 Ca -0.09 0.26 -0.35 0.00 -0.00 0.00 0.00 57.72 57.54 1uh6 n HIS 8 Cb 0.53 -2.01 -0.06 0.00 -0.00 0.00 0.00 29.99 28.44 1uh6 n HIS 8 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 1uh6 s HIS 9 N -1.70 3.61 -0.60 4.41 2.46 -1.26 -5.04 115.29 117.17 1uh6 s HIS 9 Ca 0.04 1.17 0.04 0.00 0.47 0.00 0.00 55.06 56.78 1uh6 s HIS 9 Cb -0.01 -2.46 0.16 0.00 -0.13 0.00 0.00 32.58 30.15 1uh6 s HIS 9 CO 0.15 0.38 0.42 -1.01 -2.47 0.00 0.00 174.74 172.21 1uh6 s HIS 10 N -1.51 2.86 0.04 3.88 4.02 -1.26 -5.07 115.29 118.25 1uh6 s HIS 10 Ca 0.40 -3.02 -0.00 0.00 1.02 0.00 0.00 55.06 53.46 1uh6 s HIS 10 Cb -0.15 -2.26 -0.03 0.00 -1.02 0.00 0.00 32.58 29.12 1uh6 s HIS 10 CO 0.20 -0.64 -0.04 -1.58 1.02 0.00 0.00 174.74 173.70 1uh6 s HIS 11 N -0.86 0.48 -0.27 1.40 2.46 -1.26 -4.99 115.29 112.25 1uh6 s HIS 11 Ca 0.25 -0.83 -0.03 0.00 0.47 0.00 0.00 55.06 54.92 1uh6 s HIS 11 Cb -0.07 -0.34 0.00 0.00 -0.13 0.00 0.00 32.58 32.05 1uh6 s HIS 11 CO -0.14 -0.27 0.13 0.43 -2.47 0.00 0.00 174.74 172.41 1uh6 n SER 12 N 0.70 -6.71 -0.07 9.88 7.64 -1.26 -5.01 113.62 118.79 1uh6 n SER 12 Ca -0.18 0.94 -0.07 0.00 1.01 0.00 0.00 58.87 60.57 1uh6 n SER 12 Cb 0.58 -4.41 -0.03 0.00 -1.01 0.00 0.00 64.21 59.34 1uh6 n SER 12 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1uh6 h SER 13 N 2.17 0.00 0.00 6.43 4.64 -2.04 -3.49 113.55 121.26 1uh6 h SER 13 Ca 0.00 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 1uh6 h SER 13 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 1uh6 h SER 13 CO 0.10 0.82 0.00 0.61 -0.87 0.00 0.00 176.83 177.49 1uh6 n GLY 14 N 1.62 2.23 1.30 -0.77 0.00 -1.26 -5.05 105.19 103.26 1uh6 n GLY 14 Ca -0.10 -0.72 0.16 0.00 0.00 0.00 0.00 46.02 45.36 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 0.00 -3.42 0.10 4.61 0.00 -1.26 -5.04 120.51 115.50 1uh6 n ALA 15 Ca 0.00 0.82 0.00 0.00 0.00 0.00 0.00 53.44 54.26 1uh6 n ALA 15 Cb 0.00 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.04 1uh6 n ALA 15 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1uh6 n SER 16 N -4.12 -1.26 -4.67 0.00 2.88 -1.26 -5.12 113.62 100.07 1uh6 n SER 16 Ca -0.08 0.38 -0.33 0.00 -1.33 0.00 0.00 58.87 57.51 1uh6 n SER 16 Cb 0.62 1.35 0.14 0.00 -0.75 0.00 0.00 64.21 65.57 1uh6 n SER 16 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1uh6 n LEU 17 N -3.00 3.87 -4.13 2.46 4.77 -1.26 -5.02 117.00 114.69 1uh6 n LEU 17 Ca 0.00 0.53 -0.27 0.00 -0.03 0.00 0.00 56.01 56.24 1uh6 n LEU 17 Cb 0.00 -1.48 -0.16 0.00 -2.33 0.00 0.00 43.42 39.44 1uh6 n LEU 17 CO 0.00 -1.93 -0.51 0.54 -1.33 0.00 0.00 177.39 174.17 1uh6 s VAL 18 N -2.27 1.49 -0.06 4.08 0.11 -1.26 -5.05 120.40 117.43 1uh6 s VAL 18 Ca 0.71 -0.73 -0.11 0.00 -2.93 0.00 0.00 61.98 58.92 1uh6 s VAL 18 Cb -0.27 -1.29 -0.07 0.00 -1.53 0.00 0.00 36.38 33.22 1uh6 s VAL 18 CO 0.54 0.43 0.44 1.55 -3.33 0.00 0.00 175.10 174.72 1uh6 h PRO 19 N 6.45 -0.30 -2.80 1.54 0.13 -2.04 -3.50 132.00 131.46 1uh6 h PRO 19 Ca -0.30 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1uh6 h PRO 19 Cb 1.19 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1uh6 h PRO 19 CO 0.48 -0.15 -0.72 0.54 -0.23 0.00 0.00 178.00 177.92 1uh6 n ARG 20 N -4.98 -3.15 0.00 0.86 1.74 -1.26 -5.09 116.66 104.77 1uh6 n ARG 20 Ca -0.05 2.43 0.00 0.00 -0.77 0.00 0.00 57.85 59.47 1uh6 n ARG 20 Cb 0.15 -2.99 0.00 0.00 -1.02 0.00 0.00 32.46 28.60 1uh6 n ARG 20 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1uh6 n GLY 21 N -2.10 1.81 2.00 -0.13 0.00 -1.26 -5.10 105.19 100.40 1uh6 n GLY 21 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1uh6 n GLY 21 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1uh6 n SER 22 N 0.00 -8.56 -2.98 1.61 7.64 -1.26 -4.81 113.62 105.25 1uh6 n SER 22 Ca 0.00 1.33 -0.10 0.00 1.01 0.00 0.00 58.87 61.12 1uh6 n SER 22 Cb 0.00 -4.82 0.01 0.00 -1.01 0.00 0.00 64.21 58.39 1uh6 n SER 22 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1uh6 n GLU 23 N 1.78 -2.34 0.00 1.43 1.02 -1.26 -5.01 120.64 116.26 1uh6 n GLU 23 Ca 0.00 2.01 0.00 0.00 -0.02 0.00 0.00 57.16 59.15 1uh6 n GLU 23 Cb 0.00 -4.21 0.00 0.00 -0.02 0.00 0.00 31.44 27.21 1uh6 n GLU 23 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1uh6 n GLY 24 N 0.30 1.98 3.34 0.62 0.00 -1.26 -5.03 105.19 105.14 1uh6 n GLY 24 Ca 0.03 -0.32 -0.17 0.00 0.00 0.00 0.00 46.02 45.55 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 -3.00 -2.52 -3.18 4.61 0.00 -1.26 -5.01 120.51 110.16 1uh6 n ALA 25 Ca 0.00 0.02 0.02 0.00 0.00 0.00 0.00 53.44 53.48 1uh6 n ALA 25 Cb 0.00 -4.66 -0.02 0.00 0.00 0.00 0.00 19.45 14.77 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 -3.34 -2.14 0.38 0.00 0.00 -1.26 -4.79 121.76 110.61 1uh6 s ALA 26 Ca 0.39 1.31 -0.06 0.00 0.00 0.00 0.00 51.96 53.59 1uh6 s ALA 26 Cb -0.08 -2.28 -0.05 0.00 0.00 0.00 0.00 23.12 20.71 1uh6 s ALA 26 CO 0.77 -1.57 0.68 0.99 0.00 0.00 0.00 175.76 176.63 1uh6 s THR 27 N 2.80 4.93 -0.12 0.00 2.01 -1.26 -4.85 115.64 119.15 1uh6 s THR 27 Ca 0.15 0.21 -0.05 0.00 0.31 0.00 0.00 61.69 62.30 1uh6 s THR 27 Cb -0.13 -3.78 -0.04 0.00 0.01 0.00 0.00 72.50 68.57 1uh6 s THR 27 CO -0.24 -0.54 0.08 -0.32 -0.69 0.00 0.00 174.62 172.92 1uh6 s MET 28 N -4.01 3.37 -0.02 4.92 0.00 -1.26 -1.37 119.30 120.92 1uh6 s MET 28 Ca 0.47 -0.26 -0.09 0.00 0.00 0.00 0.00 55.69 55.80 1uh6 s MET 28 Cb -0.10 -3.05 0.01 0.00 0.00 0.00 0.00 34.83 31.68 1uh6 s MET 28 CO 0.35 0.67 0.20 0.96 0.00 0.00 0.00 175.02 177.20 1uh6 s ILE 29 N -0.75 0.06 -0.22 10.11 -4.36 0.63 -4.99 121.20 121.69 1uh6 s ILE 29 Ca 0.13 -0.47 -0.10 0.00 -0.26 0.00 0.00 60.65 59.94 1uh6 s ILE 29 Cb -0.12 -0.45 -0.05 0.00 1.25 0.00 0.00 42.46 43.09 1uh6 s ILE 29 CO 0.03 -0.26 0.14 -0.70 0.24 0.00 0.00 174.94 174.38 1uh6 s GLU 30 N -1.01 4.11 0.22 0.37 2.12 -1.26 -1.28 118.70 121.97 1uh6 s GLU 30 Ca -0.11 -0.26 0.05 0.00 0.36 0.00 0.00 54.97 55.02 1uh6 s GLU 30 Cb -0.06 -3.46 -0.03 0.00 0.26 0.00 0.00 34.13 30.84 1uh6 s GLU 30 CO 0.02 0.18 0.27 0.14 -0.54 0.00 0.00 175.26 175.33 1uh6 s VAL 31 N 0.70 4.92 -0.16 3.70 -7.23 0.18 0.10 120.40 122.61 1uh6 s VAL 31 Ca 0.07 -1.08 0.00 0.00 -1.81 0.00 0.00 61.98 59.16 1uh6 s VAL 31 Cb -0.12 -3.63 0.03 0.00 0.56 0.00 0.00 36.38 33.22 1uh6 s VAL 31 CO 0.01 -0.27 -0.12 -0.69 -0.31 0.00 0.00 175.10 173.73 1uh6 s VAL 32 N -1.96 1.50 -0.35 1.32 1.01 0.12 -1.82 120.40 120.22 1uh6 s VAL 32 Ca 0.33 -0.70 -0.10 0.00 0.00 0.00 0.00 61.98 61.51 1uh6 s VAL 32 Cb -0.09 -1.48 0.02 0.00 0.00 0.00 0.00 36.38 34.83 1uh6 s VAL 32 CO 0.27 0.34 0.18 0.00 0.00 0.00 0.00 175.10 175.89 1uh6 s ASN 34 N 1.55 6.17 0.90 0.00 0.01 -1.18 -2.51 114.94 119.88 1uh6 s ASN 34 Ca 0.02 -0.66 -0.05 0.00 -0.71 0.00 0.00 52.86 51.47 1uh6 s ASN 34 Cb -0.19 -2.51 0.07 0.00 0.41 0.00 0.00 41.25 39.04 1uh6 s ASN 34 CO 0.06 -1.69 0.45 -0.90 -1.51 0.00 0.00 177.10 173.51 1uh6 n ASP 35 N 8.75 0.13 -1.16 -1.22 5.68 -1.26 -3.07 116.55 124.39 1uh6 n ASP 35 Ca 0.01 -1.22 0.09 0.00 -0.50 0.00 0.00 54.79 53.17 1uh6 n ASP 35 Cb 0.48 -0.34 0.28 0.00 -1.14 0.00 0.00 41.12 40.40 1uh6 n ASP 35 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1uh6 n ARG 36 N -1.94 3.08 0.14 0.11 5.12 -1.26 -4.25 116.66 117.67 1uh6 n ARG 36 Ca 0.06 -2.56 0.04 0.00 -1.93 0.00 0.00 57.85 53.46 1uh6 n ARG 36 Cb 0.21 -1.59 0.03 0.00 -1.16 0.00 0.00 32.46 29.95 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 3.33 0.00 0.00 0.55 3.38 -1.99 -3.47 115.31 117.11 1uh6 h LEU 37 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1uh6 h LEU 37 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1uh6 h LEU 37 CO 0.09 0.44 0.00 0.61 0.09 0.00 0.00 178.44 179.66 1uh6 n GLY 38 N 1.22 1.43 3.91 0.83 0.00 -1.26 -5.08 105.19 106.24 1uh6 n GLY 38 Ca 0.01 -0.25 -0.29 0.00 0.00 0.00 0.00 46.02 45.49 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 3.36 0.49 1.61 -2.85 -1.26 -5.01 119.74 116.08 1uh6 s LYS 39 Ca 0.00 -0.54 -0.02 0.00 -1.00 0.00 0.00 55.97 54.40 1uh6 s LYS 39 Cb 0.00 -2.96 -0.01 0.00 -2.06 0.00 0.00 37.83 32.80 1uh6 s LYS 39 CO 0.00 0.57 0.75 0.15 0.10 0.00 0.00 175.35 176.92 1uh6 s LYS 40 N -2.80 3.11 -0.12 1.78 1.02 -1.26 -4.14 119.74 117.33 1uh6 s LYS 40 Ca 0.34 -0.23 -0.00 0.00 0.02 0.00 0.00 55.97 56.10 1uh6 s LYS 40 Cb -0.12 -2.45 0.03 0.00 -0.52 0.00 0.00 37.83 34.77 1uh6 s LYS 40 CO 0.27 -0.37 -0.08 0.08 -0.92 0.00 0.00 175.35 174.34 1uh6 s VAL 41 N -2.70 1.09 -0.25 3.17 1.01 -1.04 -4.99 120.40 116.68 1uh6 s VAL 41 Ca 0.49 -0.36 -0.09 0.00 0.00 0.00 0.00 61.98 62.02 1uh6 s VAL 41 Cb -0.10 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.12 1uh6 s VAL 41 CO 0.41 0.35 0.12 -0.13 0.00 0.00 0.00 175.10 175.85 1uh6 s ARG 42 N 1.68 3.83 -0.03 2.72 0.52 -1.26 -1.39 118.95 125.02 1uh6 s ARG 42 Ca 0.04 -0.39 0.05 0.00 -0.52 0.00 0.00 55.73 54.91 1uh6 s ARG 42 Cb -0.13 -3.45 -0.01 0.00 0.52 0.00 0.00 34.95 31.88 1uh6 s ARG 42 CO -0.08 -0.12 -0.17 0.08 0.02 0.00 0.00 175.30 175.03 1uh6 s VAL 43 N 1.49 1.38 -0.13 3.52 1.01 -0.75 -4.97 120.40 121.95 1uh6 s VAL 43 Ca 0.06 -0.72 -0.14 0.00 0.00 0.00 0.00 61.98 61.19 1uh6 s VAL 43 Cb -0.15 -1.17 -0.05 0.00 0.00 0.00 0.00 36.38 35.01 1uh6 s VAL 43 CO 0.06 0.40 0.32 -0.54 0.00 0.00 0.00 175.10 175.33 1uh6 s LYS 44 N -0.16 4.16 0.27 2.72 1.02 -1.26 -0.65 119.74 125.83 1uh6 s LYS 44 Ca 0.01 0.16 -0.06 0.00 0.02 0.00 0.00 55.97 56.10 1uh6 s LYS 44 Cb -0.09 -3.38 -0.01 0.00 -0.52 0.00 0.00 37.83 33.83 1uh6 s LYS 44 CO 0.01 0.34 0.39 0.00 -0.92 0.00 0.00 175.35 175.17 1uh6 s ASN 46 N -3.13 4.49 0.55 0.00 -0.87 -1.26 -0.27 114.94 114.45 1uh6 s ASN 46 Ca 0.29 -0.52 0.30 0.00 -1.57 0.00 0.00 52.86 51.37 1uh6 s ASN 46 Cb 0.01 -0.85 1.60 0.00 -0.02 0.00 0.00 41.25 41.99 1uh6 s ASN 46 CO 0.14 0.08 2.12 0.71 -2.57 0.00 0.00 177.10 177.59 1uh6 h THR 47 N 2.53 0.46 0.00 1.60 1.35 -1.55 -0.48 112.91 116.82 1uh6 h THR 47 Ca -0.46 -0.40 -0.08 0.00 -0.55 0.00 0.00 66.41 64.92 1uh6 h THR 47 Cb 1.21 1.27 -0.01 0.00 -1.73 0.00 0.00 68.15 68.89 1uh6 h THR 47 CO 0.56 0.08 -0.36 -0.78 -0.25 0.00 0.00 175.52 174.77 1uh6 h ASP 48 N 0.00 0.00 -3.52 5.36 3.58 -1.87 -3.21 116.42 116.77 1uh6 h ASP 48 Ca -0.00 0.00 -0.52 0.00 0.42 0.00 0.00 57.03 56.93 1uh6 h ASP 48 Cb 0.26 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.30 1uh6 h ASP 48 CO 0.01 0.36 0.38 -1.81 -2.88 0.00 0.00 179.24 175.31 1uh6 s ASP 49 N -6.59 7.43 0.64 2.28 1.01 -0.19 -4.99 116.67 116.25 1uh6 s ASP 49 Ca -0.01 1.81 -0.09 0.00 0.71 0.00 0.00 52.55 54.97 1uh6 s ASP 49 Cb 0.13 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.47 1uh6 s ASP 49 CO 0.69 -0.14 0.99 0.42 0.21 0.00 0.00 175.17 177.34 1uh6 s THR 50 N 0.24 3.78 0.31 -1.27 -4.23 -1.26 -3.90 115.64 109.31 1uh6 s THR 50 Ca 0.49 0.32 0.09 0.00 -1.18 0.00 0.00 61.69 61.40 1uh6 s THR 50 Cb -0.24 -3.54 0.31 0.00 1.34 0.00 0.00 72.50 70.38 1uh6 s THR 50 CO 0.30 -0.64 1.69 0.40 -0.54 0.00 0.00 174.62 175.83 1uh6 h ILE 51 N -0.37 0.41 0.64 2.99 1.08 -1.63 0.20 117.51 120.83 1uh6 h ILE 51 Ca -0.45 -0.14 -0.02 0.00 -0.39 0.00 0.00 64.86 63.86 1uh6 h ILE 51 Cb 1.24 -0.02 -0.01 0.00 -3.07 0.00 0.00 36.82 34.96 1uh6 h ILE 51 CO 0.62 0.07 -0.51 1.23 -0.69 0.00 0.00 178.15 178.88 1uh6 h GLY 52 N 0.40 -1.31 0.84 5.37 0.00 -1.83 0.51 103.07 107.04 1uh6 h GLY 52 Ca 0.64 0.58 0.12 0.00 0.00 0.00 0.00 47.33 48.67 1uh6 h GLY 52 CO -0.56 -0.41 0.47 -0.55 0.00 0.00 0.00 176.54 175.49 1uh6 h ASP 53 N -1.11 0.40 0.17 0.19 5.19 -1.40 -1.31 116.42 118.55 1uh6 h ASP 53 Ca -0.08 0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.33 1uh6 h ASP 53 Cb 0.93 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 40.37 1uh6 h ASP 53 CO 0.01 0.22 -0.08 0.25 -3.12 0.00 0.00 179.24 176.52 1uh6 h LEU 54 N 0.44 -0.19 -0.91 1.55 7.12 0.18 -2.85 115.31 120.64 1uh6 h LEU 54 Ca 0.33 0.01 0.26 0.00 0.13 0.00 0.00 57.88 58.61 1uh6 h LEU 54 Cb 0.70 0.05 -0.17 0.00 -0.53 0.00 0.00 40.66 40.71 1uh6 h LEU 54 CO -0.10 -0.11 0.06 0.29 -0.13 0.00 0.00 178.44 178.45 1uh6 n LYS 55 N -2.78 -0.07 -0.15 1.25 5.02 0.17 0.18 118.16 121.78 1uh6 n LYS 55 Ca -0.03 1.36 -0.05 0.00 -2.02 0.00 0.00 58.31 57.57 1uh6 n LYS 55 Cb 0.09 -2.18 0.01 0.00 -0.02 0.00 0.00 35.03 32.93 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 -0.15 0.19 1.97 1.57 -1.18 0.35 116.57 119.31 1uh6 h LYS 56 Ca 0.57 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 59.37 1uh6 h LYS 56 Cb 1.23 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 33.54 1uh6 h LYS 56 CO -0.84 -0.10 -0.48 -0.07 -0.57 0.00 0.00 179.45 177.39 1uh6 h LEU 57 N -0.16 -1.41 -0.32 2.94 3.38 0.22 0.27 115.31 120.23 1uh6 h LEU 57 Ca 0.22 0.14 0.04 0.00 0.09 0.00 0.00 57.88 58.36 1uh6 h LEU 57 Cb 0.51 0.51 -0.06 0.00 0.09 0.00 0.00 40.66 41.70 1uh6 h LEU 57 CO -0.58 -0.53 -0.40 0.40 0.09 0.00 0.00 178.44 177.42 1uh6 h ILE 58 N -0.74 0.00 -1.23 1.22 2.04 -0.74 1.60 117.51 119.67 1uh6 h ILE 58 Ca -0.02 0.00 0.35 0.00 1.00 0.00 0.00 64.86 66.19 1uh6 h ILE 58 Cb 0.71 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.72 1uh6 h ILE 58 CO -0.22 0.00 0.85 0.00 0.00 0.00 0.00 178.15 178.78 1uh6 h ALA 59 N -0.37 2.89 0.01 1.87 0.00 -0.03 1.47 119.26 125.11 1uh6 h ALA 59 Ca 0.06 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.77 1uh6 h ALA 59 Cb 0.42 0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.32 1uh6 h ALA 59 CO -0.45 -1.30 -0.79 0.00 0.00 0.00 0.00 179.25 176.71 1uh6 h ALA 60 N 1.46 0.08 -0.48 0.00 0.00 0.46 0.46 119.26 121.23 1uh6 h ALA 60 Ca 0.63 -0.63 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 1uh6 h ALA 60 Cb 2.21 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 20.03 1uh6 h ALA 60 CO -0.14 0.48 -0.12 1.96 0.00 0.00 0.00 179.25 181.43 1uh6 h GLN 61 N 0.07 0.91 0.01 0.00 1.08 0.98 -3.33 115.11 114.83 1uh6 h GLN 61 Ca -0.10 -0.33 -0.00 0.00 -1.45 0.00 0.00 58.65 56.77 1uh6 h GLN 61 Cb 1.49 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 28.86 1uh6 h GLN 61 CO 0.16 0.98 -0.01 1.79 -0.95 0.00 0.00 178.83 180.79 1uh6 h THR 62 N 0.81 0.00 0.00 -0.54 1.35 0.15 -3.49 112.91 111.18 1uh6 h THR 62 Ca 0.13 -0.47 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 1uh6 h THR 62 Cb 0.65 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.07 1uh6 h THR 62 CO 0.05 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.93 1uh6 n GLY 63 N 1.81 0.76 0.00 5.82 0.00 0.16 -5.06 105.19 108.68 1uh6 n GLY 63 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -4.23 2.61 -2.24 -1.02 -4.94 114.28 104.46 1uh6 n THR 64 Ca 0.00 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.60 1uh6 n THR 64 Cb 0.00 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.10 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 0.77 0.58 -0.78 3.00 -1.26 -4.74 118.95 116.52 1uh6 s ARG 65 Ca 0.00 -0.74 0.34 0.00 0.00 0.00 0.00 55.73 55.33 1uh6 s ARG 65 Cb 0.00 -0.73 1.76 0.00 0.00 0.00 0.00 34.95 35.99 1uh6 s ARG 65 CO 0.00 0.17 2.16 0.11 0.00 0.00 0.00 175.30 177.74 1uh6 h TRP 66 N 4.81 0.00 -0.00 -0.53 5.08 -1.88 0.40 115.95 123.83 1uh6 h TRP 66 Ca -0.37 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.60 1uh6 h TRP 66 Cb 1.19 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.35 1uh6 h TRP 66 CO 0.57 0.05 -0.12 0.27 -1.28 0.00 0.00 178.44 177.93 1uh6 n ASN 67 N -3.39 0.56 -1.47 0.11 0.23 -1.26 -3.39 115.26 106.65 1uh6 n ASN 67 Ca -0.02 -0.66 -0.12 0.00 -0.53 0.00 0.00 54.58 53.25 1uh6 n ASN 67 Cb 0.19 -0.05 0.11 0.00 -2.08 0.00 0.00 39.78 37.95 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 -0.88 2.67 -3.76 -3.83 4.76 0.14 -4.68 118.16 112.58 1uh6 n LYS 68 Ca 0.15 -3.71 -0.20 0.00 -2.87 0.00 0.00 58.31 51.68 1uh6 n LYS 68 Cb 0.28 -2.01 -0.17 0.00 -1.84 0.00 0.00 35.03 31.29 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 -3.99 0.11 -0.14 -0.18 1.01 -1.18 -3.59 121.20 113.23 1uh6 s ILE 69 Ca 0.47 0.25 0.02 0.00 0.00 0.00 0.00 60.65 61.39 1uh6 s ILE 69 Cb 0.40 -0.29 0.01 0.00 0.01 0.00 0.00 42.46 42.59 1uh6 s ILE 69 CO -0.00 0.19 -0.21 -0.69 0.00 0.00 0.00 174.94 174.23 1uh6 s VAL 70 N 1.80 1.96 -0.31 2.92 1.01 0.48 -4.94 120.40 123.32 1uh6 s VAL 70 Ca 0.01 -0.91 -0.08 0.00 0.00 0.00 0.00 61.98 61.00 1uh6 s VAL 70 Cb -0.12 -1.74 0.01 0.00 0.00 0.00 0.00 36.38 34.52 1uh6 s VAL 70 CO -0.03 0.53 0.12 -0.76 0.00 0.00 0.00 175.10 174.95 1uh6 s LEU 71 N 0.91 4.04 0.13 3.92 2.01 -1.25 -1.12 118.68 127.31 1uh6 s LEU 71 Ca -0.05 -0.68 0.11 0.00 0.01 0.00 0.00 54.13 53.51 1uh6 s LEU 71 Cb -0.15 -1.94 -0.04 0.00 0.01 0.00 0.00 46.19 44.07 1uh6 s LEU 71 CO -0.03 -0.21 -0.26 -0.54 1.01 0.00 0.00 176.35 176.31 1uh6 s LYS 72 N 1.54 1.36 -0.40 1.70 1.02 -0.77 -2.42 119.74 121.77 1uh6 s LYS 72 Ca 0.03 -1.33 0.02 0.00 0.02 0.00 0.00 55.97 54.71 1uh6 s LYS 72 Cb -0.17 -1.81 0.12 0.00 -0.52 0.00 0.00 37.83 35.45 1uh6 s LYS 72 CO 0.04 0.43 0.17 0.21 -0.92 0.00 0.00 175.35 175.28 1uh6 s LYS 73 N -2.06 1.26 0.09 1.68 2.47 0.17 -0.80 119.74 122.55 1uh6 s LYS 73 Ca 0.13 -1.83 0.00 0.00 -1.56 0.00 0.00 55.97 52.71 1uh6 s LYS 73 Cb -0.10 -2.52 0.00 0.00 -1.46 0.00 0.00 37.83 33.75 1uh6 s LYS 73 CO 0.06 -1.07 0.00 0.91 0.16 0.00 0.00 175.35 175.40 1uh6 n TRP 74 N 3.93 0.00 0.00 4.03 7.02 -1.26 -1.62 117.44 129.54 1uh6 n TRP 74 Ca 0.05 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.53 1uh6 n TRP 74 Cb 0.37 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.26 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 -1.51 -5.99 4.19 -1.26 -5.07 117.16 107.52 1uh6 n TYR 75 Ca 0.00 0.00 -0.34 0.00 3.31 0.00 0.00 57.90 60.87 1uh6 n TYR 75 Cb 0.00 0.04 0.08 0.00 0.49 0.00 0.00 39.34 39.95 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 -1.80 2.46 -0.12 2.97 2.01 -0.64 -5.02 115.64 115.50 1uh6 s THR 76 Ca 0.00 0.23 0.02 0.00 0.31 0.00 0.00 61.69 62.25 1uh6 s THR 76 Cb 0.00 -2.80 -0.00 0.00 0.01 0.00 0.00 72.50 69.71 1uh6 s THR 76 CO 0.00 -0.12 -0.20 -0.63 -0.69 0.00 0.00 174.62 172.98 1uh6 s ILE 77 N -2.02 2.39 -0.39 1.82 1.01 -1.26 -0.66 121.20 122.08 1uh6 s ILE 77 Ca 0.73 -0.89 -0.29 0.00 0.00 0.00 0.00 60.65 60.21 1uh6 s ILE 77 Cb -0.28 -1.96 0.01 0.00 0.01 0.00 0.00 42.46 40.24 1uh6 s ILE 77 CO 0.44 0.54 1.39 -0.36 0.00 0.00 0.00 174.94 176.95 1uh6 s PHE 78 N 0.49 2.45 1.26 3.97 0.40 -1.02 -4.99 117.98 120.55 1uh6 s PHE 78 Ca -0.13 0.70 -0.21 0.00 -0.60 0.00 0.00 56.93 56.69 1uh6 s PHE 78 Cb -0.17 -4.25 0.32 0.00 0.51 0.00 0.00 43.02 39.44 1uh6 s PHE 78 CO 0.05 -1.93 0.97 1.63 0.70 0.00 0.00 175.22 176.64 1uh6 n LYS 79 N 7.94 -3.65 -0.08 0.44 4.76 -1.26 -4.78 118.16 121.52 1uh6 n LYS 79 Ca 0.16 -1.58 -0.10 0.00 -2.87 0.00 0.00 58.31 53.92 1uh6 n LYS 79 Cb 0.48 -1.65 -0.15 0.00 -1.84 0.00 0.00 35.03 31.86 1uh6 n LYS 79 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1uh6 n ASP 80 N -5.11 0.24 0.02 4.39 5.75 -1.26 -4.05 116.55 116.52 1uh6 n ASP 80 Ca 0.14 0.10 0.14 0.00 -0.01 0.00 0.00 54.79 55.15 1uh6 n ASP 80 Cb 0.57 0.72 0.58 0.00 -1.03 0.00 0.00 41.12 41.96 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 -2.83 0.15 -3.42 2.11 1.44 -1.26 -3.45 115.22 107.96 1uh6 n HIS 81 Ca -0.29 0.04 -0.44 0.00 -2.01 0.00 0.00 57.72 55.02 1uh6 n HIS 81 Cb 1.13 -0.57 -0.08 0.00 0.12 0.00 0.00 29.99 30.60 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 -3.02 5.01 0.00 0.61 1.01 -1.26 -4.95 120.40 117.81 1uh6 s VAL 82 Ca 0.13 -1.23 0.00 0.00 0.00 0.00 0.00 61.98 60.89 1uh6 s VAL 82 Cb 0.18 -4.06 0.00 0.00 0.00 0.00 0.00 36.38 32.50 1uh6 s VAL 82 CO 0.54 -0.63 0.00 -1.54 0.00 0.00 0.00 175.10 173.48 1uh6 n SER 83 N 5.15 -0.19 0.09 3.32 3.41 -1.26 -3.70 113.62 120.44 1uh6 n SER 83 Ca -0.12 -0.37 -0.17 0.00 -0.26 0.00 0.00 58.87 57.95 1uh6 n SER 83 Cb 0.43 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.24 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 0.45 -1.89 1.04 -0.00 -1.68 -3.15 115.31 110.08 1uh6 h LEU 84 Ca 0.00 -0.53 0.00 0.00 -0.00 0.00 0.00 57.88 57.35 1uh6 h LEU 84 Cb 0.00 -0.15 0.00 0.00 -0.00 0.00 0.00 40.66 40.51 1uh6 h LEU 84 CO 0.00 1.42 0.00 1.23 -0.00 0.00 0.00 178.44 181.09 1uh6 h GLY 85 N 1.50 0.00 0.68 0.83 0.00 -1.87 1.37 103.07 105.59 1uh6 h GLY 85 Ca -0.19 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 46.87 1uh6 h GLY 85 CO 0.19 0.00 -1.84 1.22 0.00 0.00 0.00 176.54 176.11 1uh6 n ASP 86 N -2.53 0.60 -0.45 0.19 8.00 -1.21 -4.03 116.55 117.13 1uh6 n ASP 86 Ca -0.02 0.28 0.12 0.00 0.71 0.00 0.00 54.79 55.88 1uh6 n ASP 86 Cb 0.06 0.35 0.09 0.00 -0.02 0.00 0.00 41.12 41.60 1uh6 n ASP 86 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1uh6 n TYR 87 N -2.90 0.00 -2.24 1.24 4.01 0.31 -4.94 117.16 112.64 1uh6 n TYR 87 Ca -0.19 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.40 1uh6 n TYR 87 Cb 1.02 -0.03 -0.02 0.00 -0.31 0.00 0.00 39.34 40.00 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 -0.14 -1.93 -1.19 -0.72 1.02 0.45 -4.86 120.64 113.27 1uh6 n GLU 88 Ca 0.10 0.74 -0.37 0.00 -0.02 0.00 0.00 57.16 57.61 1uh6 n GLU 88 Cb 0.44 -5.30 0.03 0.00 -0.02 0.00 0.00 31.44 26.60 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 -3.26 0.50 -4.47 -3.67 5.41 -1.06 -4.96 119.36 107.86 1uh6 n ILE 89 Ca -0.17 -0.47 -0.33 0.00 1.00 0.00 0.00 62.75 62.78 1uh6 n ILE 89 Cb 0.60 -0.20 -0.10 0.00 -0.71 0.00 0.00 39.64 39.23 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 -1.97 2.95 -0.34 1.39 3.76 -1.26 -4.99 115.29 114.83 1uh6 s HIS 90 Ca 0.55 0.01 -0.27 0.00 -0.15 0.00 0.00 55.06 55.20 1uh6 s HIS 90 Cb -0.38 -1.66 -0.05 0.00 1.11 0.00 0.00 32.58 31.61 1uh6 s HIS 90 CO 0.68 0.38 2.20 0.16 -0.85 0.00 0.00 174.74 177.31 1uh6 s ASP 91 N -1.25 5.20 0.00 1.40 -4.77 -1.26 -0.94 116.67 115.06 1uh6 s ASP 91 Ca 0.16 1.48 0.00 0.00 -3.30 0.00 0.00 52.55 50.89 1uh6 s ASP 91 Cb -0.11 -2.51 0.00 0.00 -1.09 0.00 0.00 42.92 39.21 1uh6 s ASP 91 CO 0.06 -2.22 0.00 0.61 0.70 0.00 0.00 175.17 174.32 1uh6 n GLY 92 N 5.79 1.55 3.76 2.12 0.00 0.29 -4.84 105.19 113.85 1uh6 n GLY 92 Ca 0.30 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.99 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 2.51 -0.19 1.61 1.75 -0.11 -4.73 119.30 120.00 1uh6 s MET 93 Ca 0.00 1.43 0.00 0.00 -1.25 0.00 0.00 55.69 55.88 1uh6 s MET 93 Cb 0.00 -1.91 0.05 0.00 2.84 0.00 0.00 34.83 35.81 1uh6 s MET 93 CO 0.00 -1.49 -0.07 -0.80 -0.65 0.00 0.00 175.02 172.01 1uh6 s ASN 94 N -2.61 3.24 0.57 1.11 0.01 -1.26 0.14 114.94 116.14 1uh6 s ASN 94 Ca 0.67 -0.85 0.06 0.00 -0.71 0.00 0.00 52.86 52.03 1uh6 s ASN 94 Cb -0.22 -1.08 0.06 0.00 0.41 0.00 0.00 41.25 40.42 1uh6 s ASN 94 CO 0.45 -0.18 0.48 0.18 -1.51 0.00 0.00 177.10 176.52 1uh6 n LEU 95 N 4.77 0.00 -4.50 0.60 7.99 -0.72 -5.00 117.00 120.14 1uh6 n LEU 95 Ca -0.13 -2.89 -0.42 0.00 -0.01 0.00 0.00 56.01 52.56 1uh6 n LEU 95 Cb 0.47 -0.10 -0.09 0.00 -0.11 0.00 0.00 43.42 43.59 1uh6 n LEU 95 CO 0.18 -0.61 0.10 -1.61 -1.51 0.00 0.00 177.39 173.94 1uh6 s GLU 96 N -4.37 3.22 -0.18 3.23 0.41 0.02 -3.11 118.70 117.91 1uh6 s GLU 96 Ca 0.36 -0.66 -0.18 0.00 -0.41 0.00 0.00 54.97 54.08 1uh6 s GLU 96 Cb -0.03 -3.93 -0.03 0.00 -1.78 0.00 0.00 34.13 28.36 1uh6 s GLU 96 CO 0.23 -0.78 0.51 -1.17 -0.49 0.00 0.00 175.26 173.57 1uh6 s LEU 97 N 2.13 4.17 0.00 1.80 2.96 -1.17 -1.84 118.68 126.73 1uh6 s LEU 97 Ca 0.12 0.71 0.00 0.00 -0.22 0.00 0.00 54.13 54.74 1uh6 s LEU 97 Cb -0.17 -2.71 -0.00 0.00 0.50 0.00 0.00 46.19 43.81 1uh6 s LEU 97 CO 0.13 -0.15 -0.01 -0.31 -1.32 0.00 0.00 176.35 174.70 1uh6 s TYR 98 N 1.44 0.06 -0.14 5.38 2.02 -0.27 -4.61 117.35 121.23 1uh6 s TYR 98 Ca 0.25 -0.05 -0.06 0.00 -0.37 0.00 0.00 57.07 56.84 1uh6 s TYR 98 Cb -0.15 -0.04 -0.04 0.00 -0.40 0.00 0.00 41.96 41.33 1uh6 s TYR 98 CO 0.10 -0.02 0.07 0.71 -1.57 0.00 0.00 175.55 174.84 1uh6 s TYR 99 N -0.13 3.32 -2.00 2.71 2.02 -1.26 0.18 117.35 122.20 1uh6 s TYR 99 Ca -0.01 0.24 0.24 0.00 -0.37 0.00 0.00 57.07 57.17 1uh6 s TYR 99 Cb -0.01 -1.95 1.43 0.00 -0.40 0.00 0.00 41.96 41.03 1uh6 s TYR 99 CO -0.00 0.41 1.79 1.04 -1.57 0.00 0.00 175.55 177.23