#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 3.74 0.00 2.12 -0.14 -1.26 -4.36 119.74 119.83 1uh6 s LYS 2 Ca 0.00 1.60 0.00 0.00 -1.36 0.00 0.00 55.97 56.21 1uh6 s LYS 2 Cb 0.00 -4.05 0.00 0.00 -1.68 0.00 0.00 37.83 32.10 1uh6 s LYS 2 CO 0.00 -1.37 0.00 0.41 -0.76 0.00 0.00 175.35 173.63 1uh6 n GLY 3 N 4.76 -2.47 3.58 -3.33 0.00 -1.26 -5.09 105.19 101.39 1uh6 n GLY 3 Ca 0.19 0.82 -0.25 0.00 0.00 0.00 0.00 46.02 46.78 1uh6 n GLY 3 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1uh6 s SER 4 N 1.55 3.97 0.02 1.61 0.01 -1.26 -5.03 113.70 114.57 1uh6 s SER 4 Ca 0.00 -1.06 -0.34 0.00 1.31 0.00 0.00 55.95 55.86 1uh6 s SER 4 Cb 0.00 -0.46 -0.13 0.00 0.21 0.00 0.00 66.02 65.64 1uh6 s SER 4 CO 0.00 -0.18 1.72 -0.24 0.41 0.00 0.00 173.24 174.95 1uh6 n SER 5 N -0.86 3.16 -3.60 2.44 2.88 -1.26 -2.47 113.62 113.92 1uh6 n SER 5 Ca -0.05 1.03 -0.19 0.00 -1.33 0.00 0.00 58.87 58.33 1uh6 n SER 5 Cb 0.62 -1.37 0.00 0.00 -0.75 0.00 0.00 64.21 62.71 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 5.02 -2.26 -1.24 0.66 -0.00 -1.26 -4.60 115.22 111.54 1uh6 n HIS 6 Ca 0.20 0.86 0.16 0.00 0.46 0.00 0.00 57.72 59.40 1uh6 n HIS 6 Cb 0.28 -3.19 -0.07 0.00 -0.12 0.00 0.00 29.99 26.89 1uh6 n HIS 6 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 1uh6 n HIS 7 N -2.61 -3.27 -1.92 1.57 -0.00 -1.03 -4.84 115.22 103.12 1uh6 n HIS 7 Ca -0.21 1.76 -0.33 0.00 -0.00 0.00 0.00 57.72 58.94 1uh6 n HIS 7 Cb 0.63 -2.98 0.02 0.00 -0.00 0.00 0.00 29.99 27.67 1uh6 n HIS 7 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 1uh6 s HIS 8 N -3.51 2.91 -0.44 4.41 -3.43 -1.26 -4.44 115.29 109.53 1uh6 s HIS 8 Ca 0.00 1.51 0.08 0.00 -0.80 0.00 0.00 55.06 55.85 1uh6 s HIS 8 Cb 0.00 -3.03 0.18 0.00 -1.43 0.00 0.00 32.58 28.30 1uh6 s HIS 8 CO 0.00 -1.27 0.66 -1.58 -2.00 0.00 0.00 174.74 170.55 1uh6 s HIS 9 N -2.49 -1.70 -0.28 0.38 5.04 -1.26 -5.04 115.29 109.94 1uh6 s HIS 9 Ca 0.64 0.05 -0.15 0.00 -1.54 0.00 0.00 55.06 54.06 1uh6 s HIS 9 Cb -0.17 0.32 0.09 0.00 0.04 0.00 0.00 32.58 32.86 1uh6 s HIS 9 CO 0.40 -1.20 0.67 -1.58 -2.34 0.00 0.00 174.74 170.69 1uh6 s HIS 10 N 1.61 -1.08 0.17 3.88 5.04 -1.26 -5.04 115.29 118.60 1uh6 s HIS 10 Ca 0.19 2.12 0.00 0.00 -1.54 0.00 0.00 55.06 55.83 1uh6 s HIS 10 Cb -0.03 0.64 0.00 0.00 0.04 0.00 0.00 32.58 33.23 1uh6 s HIS 10 CO -0.07 -0.54 0.00 1.58 -2.34 0.00 0.00 174.74 173.37 1uh6 n HIS 11 N 4.50 -2.93 -1.62 3.88 -0.00 -1.26 -5.13 115.22 112.65 1uh6 n HIS 11 Ca -0.19 0.58 -0.39 0.00 0.46 0.00 0.00 57.72 58.17 1uh6 n HIS 11 Cb 0.57 1.69 0.03 0.00 -0.12 0.00 0.00 29.99 32.16 1uh6 n HIS 11 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67 1uh6 n SER 12 N -2.88 1.11 -3.56 0.26 3.41 -1.26 -4.99 113.62 105.71 1uh6 n SER 12 Ca 0.00 0.93 -0.06 0.00 -0.26 0.00 0.00 58.87 59.48 1uh6 n SER 12 Cb 0.00 -1.38 -0.02 0.00 -0.26 0.00 0.00 64.21 62.55 1uh6 n SER 12 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1uh6 s SER 13 N -0.96 -0.23 0.00 4.04 0.15 -1.26 -5.18 113.70 110.27 1uh6 s SER 13 Ca 0.69 -0.01 0.00 0.00 0.70 0.00 0.00 55.95 57.33 1uh6 s SER 13 Cb -0.48 0.24 0.00 0.00 -1.71 0.00 0.00 66.02 64.07 1uh6 s SER 13 CO 0.52 -0.40 0.00 0.61 1.20 0.00 0.00 173.24 175.18 1uh6 n GLY 14 N -0.17 4.05 1.54 9.45 0.00 -1.26 -5.11 105.19 113.69 1uh6 n GLY 14 Ca -0.03 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.00 3.00 -2.47 4.61 0.00 -1.26 -5.13 120.51 116.25 1uh6 n ALA 15 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1uh6 n ALA 15 Cb 0.00 0.11 -0.02 0.00 0.00 0.00 0.00 19.45 19.54 1uh6 n ALA 15 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1uh6 n SER 16 N -3.44 -5.14 -0.05 0.00 7.64 -1.26 -4.84 113.62 106.54 1uh6 n SER 16 Ca 0.00 1.55 -0.11 0.00 1.01 0.00 0.00 58.87 61.33 1uh6 n SER 16 Cb 0.00 -4.73 -0.07 0.00 -1.01 0.00 0.00 64.21 58.40 1uh6 n SER 16 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1uh6 h LEU 17 N 4.28 -1.30 -2.70 -3.43 5.85 -2.09 -3.47 115.31 112.45 1uh6 h LEU 17 Ca -0.22 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.66 1uh6 h LEU 17 Cb 0.51 0.52 -0.01 0.00 0.37 0.00 0.00 40.66 42.05 1uh6 h LEU 17 CO 0.00 -0.33 -0.99 0.52 -0.34 0.00 0.00 178.44 177.31 1uh6 n VAL 18 N -4.64 -7.37 -2.44 1.05 0.31 -1.26 -4.85 118.33 99.13 1uh6 n VAL 18 Ca -0.04 1.25 -0.42 0.00 -0.01 0.00 0.00 64.34 65.12 1uh6 n VAL 18 Cb 0.26 -5.06 -0.03 0.00 -0.91 0.00 0.00 33.84 28.10 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 -1.26 4.34 0.03 5.55 0.04 -1.26 -5.03 135.00 137.41 1uh6 s PRO 19 Ca -0.01 1.70 0.03 0.00 0.04 0.00 0.00 61.00 62.76 1uh6 s PRO 19 Cb 0.00 -3.57 -0.04 0.00 0.04 0.00 0.00 34.50 30.93 1uh6 s PRO 19 CO 0.42 -0.48 -0.04 -0.98 0.04 0.00 0.00 177.00 175.96 1uh6 s ARG 20 N 2.33 2.58 -0.23 4.56 1.70 -1.26 -4.77 118.95 123.85 1uh6 s ARG 20 Ca 0.56 -0.74 -0.00 0.00 -0.47 0.00 0.00 55.73 55.08 1uh6 s ARG 20 Cb -0.25 -2.54 0.00 0.00 -0.57 0.00 0.00 34.95 31.59 1uh6 s ARG 20 CO 0.22 0.59 0.22 0.41 -1.08 0.00 0.00 175.30 175.65 1uh6 n GLY 21 N 1.24 -0.60 3.48 3.88 0.00 -1.26 -5.09 105.19 106.84 1uh6 n GLY 21 Ca -0.14 0.01 -0.10 0.00 0.00 0.00 0.00 46.02 45.80 1uh6 n GLY 21 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1uh6 s SER 22 N -2.31 -0.19 0.45 1.61 0.15 -1.26 -5.18 113.70 106.96 1uh6 s SER 22 Ca 0.00 -0.57 0.08 0.00 0.70 0.00 0.00 55.95 56.16 1uh6 s SER 22 Cb -0.00 0.55 0.00 0.00 -1.71 0.00 0.00 66.02 64.86 1uh6 s SER 22 CO 0.24 -1.02 0.45 -0.70 1.20 0.00 0.00 173.24 173.41 1uh6 s GLU 23 N -3.89 2.52 0.00 5.44 2.12 -1.26 -4.92 118.70 118.71 1uh6 s GLU 23 Ca 0.11 -1.56 0.00 0.00 0.36 0.00 0.00 54.97 53.88 1uh6 s GLU 23 Cb -0.00 -2.43 0.00 0.00 0.26 0.00 0.00 34.13 31.96 1uh6 s GLU 23 CO -0.02 -0.32 0.00 0.41 -0.54 0.00 0.00 175.26 174.79 1uh6 n GLY 24 N -1.69 -0.98 3.56 -1.50 0.00 -1.26 -5.18 105.19 98.15 1uh6 n GLY 24 Ca 0.05 0.59 -0.10 0.00 0.00 0.00 0.00 46.02 46.56 1uh6 n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uh6 s ALA 25 N -1.00 0.01 -1.09 4.61 0.00 -1.26 -5.07 121.76 117.96 1uh6 s ALA 25 Ca 0.00 -1.05 -0.04 0.00 0.00 0.00 0.00 51.96 50.87 1uh6 s ALA 25 Cb 0.00 1.08 0.30 0.00 0.00 0.00 0.00 23.12 24.50 1uh6 s ALA 25 CO 0.00 -0.84 1.50 0.00 0.00 0.00 0.00 175.76 176.43 1uh6 n ALA 26 N -0.43 5.20 -1.81 0.00 0.00 -1.26 -4.70 120.51 117.51 1uh6 n ALA 26 Ca -0.01 -4.79 -0.32 0.00 0.00 0.00 0.00 53.44 48.32 1uh6 n ALA 26 Cb 0.62 -2.38 -0.02 0.00 0.00 0.00 0.00 19.45 17.67 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 -2.66 4.45 -0.18 0.00 2.01 -1.26 -4.77 115.64 113.22 1uh6 s THR 27 Ca 0.31 1.09 -0.07 0.00 0.31 0.00 0.00 61.69 63.33 1uh6 s THR 27 Cb 0.05 -3.69 -0.04 0.00 0.01 0.00 0.00 72.50 68.83 1uh6 s THR 27 CO 0.10 -0.76 0.05 -0.32 -0.69 0.00 0.00 174.62 173.01 1uh6 s MET 28 N -4.31 3.91 0.07 4.92 1.75 -1.26 -1.16 119.30 123.21 1uh6 s MET 28 Ca 0.59 -0.38 0.03 0.00 -1.25 0.00 0.00 55.69 54.68 1uh6 s MET 28 Cb -0.11 -3.19 -0.03 0.00 2.84 0.00 0.00 34.83 34.34 1uh6 s MET 28 CO 0.37 0.23 -0.09 0.96 -0.65 0.00 0.00 175.02 175.84 1uh6 s ILE 29 N 0.48 0.75 -0.08 10.11 -4.36 0.11 -4.98 121.20 123.23 1uh6 s ILE 29 Ca 0.02 -1.38 -0.04 0.00 -0.26 0.00 0.00 60.65 58.99 1uh6 s ILE 29 Cb -0.13 -1.03 -0.04 0.00 1.25 0.00 0.00 42.46 42.52 1uh6 s ILE 29 CO 0.01 -0.48 0.08 -0.70 0.24 0.00 0.00 174.94 174.10 1uh6 s GLU 30 N -2.24 3.21 0.17 0.37 2.12 -1.26 -1.78 118.70 119.29 1uh6 s GLU 30 Ca -0.02 -0.30 0.10 0.00 0.36 0.00 0.00 54.97 55.10 1uh6 s GLU 30 Cb -0.06 -2.98 -0.04 0.00 0.26 0.00 0.00 34.13 31.30 1uh6 s GLU 30 CO -0.00 0.72 -0.15 0.14 -0.54 0.00 0.00 175.26 175.43 1uh6 s VAL 31 N -1.03 2.89 -0.23 3.70 -7.23 -0.77 0.17 120.40 117.91 1uh6 s VAL 31 Ca 0.17 -1.74 0.01 0.00 -1.81 0.00 0.00 61.98 58.61 1uh6 s VAL 31 Cb -0.12 -2.40 0.05 0.00 0.56 0.00 0.00 36.38 34.47 1uh6 s VAL 31 CO 0.06 -0.08 -0.09 -0.69 -0.31 0.00 0.00 175.10 174.00 1uh6 s VAL 32 N -1.61 1.74 -0.35 1.32 1.01 0.48 -2.37 120.40 120.62 1uh6 s VAL 32 Ca 0.23 -1.25 -0.17 0.00 0.00 0.00 0.00 61.98 60.78 1uh6 s VAL 32 Cb -0.09 -1.89 -0.00 0.00 0.00 0.00 0.00 36.38 34.39 1uh6 s VAL 32 CO 0.13 0.02 0.45 0.00 0.00 0.00 0.00 175.10 175.69 1uh6 s ASN 34 N 1.76 6.19 0.18 0.00 0.01 -1.02 -2.82 114.94 119.24 1uh6 s ASN 34 Ca 0.15 -0.96 0.06 0.00 -0.71 0.00 0.00 52.86 51.40 1uh6 s ASN 34 Cb -0.16 -2.40 -0.04 0.00 0.41 0.00 0.00 41.25 39.06 1uh6 s ASN 34 CO 0.13 -1.36 0.11 1.51 -1.51 0.00 0.00 177.10 175.97 1uh6 s ASP 35 N 3.54 5.33 -0.59 -1.22 1.47 -1.26 -2.54 116.67 121.39 1uh6 s ASP 35 Ca 0.22 -0.22 -0.07 0.00 1.18 0.00 0.00 52.55 53.66 1uh6 s ASP 35 Cb -0.17 -1.33 -0.17 0.00 -0.34 0.00 0.00 42.92 40.91 1uh6 s ASP 35 CO 0.11 0.06 3.06 0.54 0.68 0.00 0.00 175.17 179.62 1uh6 n ARG 36 N -0.40 2.39 -0.03 2.11 3.00 -1.26 -3.64 116.66 118.83 1uh6 n ARG 36 Ca -0.08 -1.34 -0.01 0.00 -0.01 0.00 0.00 57.85 56.40 1uh6 n ARG 36 Cb 0.55 -2.26 -0.07 0.00 0.00 0.00 0.00 32.46 30.69 1uh6 n ARG 36 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1uh6 n LEU 37 N 3.04 0.00 0.00 0.55 4.77 -1.26 -5.03 117.00 119.07 1uh6 n LEU 37 Ca 0.51 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.49 1uh6 n LEU 37 Cb 0.57 0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.80 1uh6 n LEU 37 CO 0.41 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 1uh6 n GLY 38 N 2.33 2.57 3.45 -0.72 0.00 -1.24 -5.06 105.19 106.52 1uh6 n GLY 38 Ca -0.10 -0.91 -0.32 0.00 0.00 0.00 0.00 46.02 44.69 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 2.39 0.76 1.61 -2.85 -1.26 -5.09 119.74 115.30 1uh6 s LYS 39 Ca 0.00 -0.76 -0.11 0.00 -1.00 0.00 0.00 55.97 54.10 1uh6 s LYS 39 Cb 0.00 -2.30 0.05 0.00 -2.06 0.00 0.00 37.83 33.51 1uh6 s LYS 39 CO 0.00 0.61 1.08 0.15 0.10 0.00 0.00 175.35 177.29 1uh6 s LYS 40 N -0.79 2.38 -0.18 1.78 1.02 -1.26 -4.66 119.74 118.02 1uh6 s LYS 40 Ca 0.12 0.78 0.00 0.00 0.02 0.00 0.00 55.97 56.89 1uh6 s LYS 40 Cb -0.10 -1.94 0.04 0.00 -0.52 0.00 0.00 37.83 35.31 1uh6 s LYS 40 CO 0.01 -1.45 -0.07 0.08 -0.92 0.00 0.00 175.35 172.99 1uh6 s VAL 41 N -3.10 1.35 -0.20 3.17 1.01 -1.13 -5.01 120.40 116.50 1uh6 s VAL 41 Ca 0.60 -0.81 -0.10 0.00 0.00 0.00 0.00 61.98 61.67 1uh6 s VAL 41 Cb -0.14 -1.49 -0.05 0.00 0.00 0.00 0.00 36.38 34.70 1uh6 s VAL 41 CO 0.55 0.14 0.13 -0.13 0.00 0.00 0.00 175.10 175.79 1uh6 s ARG 42 N 1.52 4.18 0.05 2.72 0.52 -1.26 -1.94 118.95 124.74 1uh6 s ARG 42 Ca -0.00 -0.22 0.05 0.00 -0.52 0.00 0.00 55.73 55.03 1uh6 s ARG 42 Cb -0.16 -3.41 -0.02 0.00 0.52 0.00 0.00 34.95 31.88 1uh6 s ARG 42 CO -0.08 0.30 -0.14 0.08 0.02 0.00 0.00 175.30 175.48 1uh6 s VAL 43 N 0.36 1.14 -0.13 3.52 1.01 -1.00 -4.99 120.40 120.31 1uh6 s VAL 43 Ca 0.08 -1.11 -0.12 0.00 0.00 0.00 0.00 61.98 60.84 1uh6 s VAL 43 Cb -0.11 -1.05 -0.05 0.00 0.00 0.00 0.00 36.38 35.17 1uh6 s VAL 43 CO -0.02 -0.06 0.25 -0.54 0.00 0.00 0.00 175.10 174.73 1uh6 s LYS 44 N -1.33 3.96 0.29 2.72 1.02 -1.26 -1.84 119.74 123.29 1uh6 s LYS 44 Ca 0.01 0.04 -0.11 0.00 0.02 0.00 0.00 55.97 55.93 1uh6 s LYS 44 Cb -0.09 -3.32 0.01 0.00 -0.52 0.00 0.00 37.83 33.91 1uh6 s LYS 44 CO 0.02 0.48 0.53 0.00 -0.92 0.00 0.00 175.35 175.46 1uh6 s ASN 46 N -3.07 2.61 0.51 0.00 0.01 -1.26 0.06 114.94 113.80 1uh6 s ASN 46 Ca 0.23 -1.18 0.33 0.00 -0.71 0.00 0.00 52.86 51.53 1uh6 s ASN 46 Cb -0.01 -0.14 1.48 0.00 0.41 0.00 0.00 41.25 42.99 1uh6 s ASN 46 CO 0.12 -0.35 1.99 0.71 -1.51 0.00 0.00 177.10 178.05 1uh6 h THR 47 N 2.33 0.00 0.00 1.60 1.35 -1.44 -1.64 112.91 115.11 1uh6 h THR 47 Ca -0.40 -0.35 -0.06 0.00 -0.55 0.00 0.00 66.41 65.05 1uh6 h THR 47 Cb 1.23 1.28 -0.01 0.00 -1.73 0.00 0.00 68.15 68.92 1uh6 h THR 47 CO 0.66 0.00 -0.30 -0.78 -0.25 0.00 0.00 175.52 174.86 1uh6 h ASP 48 N 0.00 0.00 -3.09 5.36 1.82 -1.84 -3.37 116.42 115.30 1uh6 h ASP 48 Ca 0.00 0.00 -0.61 0.00 -0.39 0.00 0.00 57.03 56.03 1uh6 h ASP 48 Cb 0.37 0.00 -0.07 0.00 0.68 0.00 0.00 39.33 40.31 1uh6 h ASP 48 CO 0.00 0.30 -0.26 -1.81 -1.61 0.00 0.00 179.24 175.86 1uh6 s ASP 49 N -6.44 6.65 0.74 2.28 1.01 -0.62 -5.02 116.67 115.27 1uh6 s ASP 49 Ca -0.01 0.77 -0.06 0.00 0.71 0.00 0.00 52.55 53.96 1uh6 s ASP 49 Cb 0.12 -2.22 0.10 0.00 1.01 0.00 0.00 42.92 41.93 1uh6 s ASP 49 CO 0.66 0.23 1.04 0.42 0.21 0.00 0.00 175.17 177.73 1uh6 s THR 50 N -0.42 2.23 0.33 -1.27 -4.23 -1.26 -4.03 115.64 106.99 1uh6 s THR 50 Ca 0.21 -0.33 0.10 0.00 -1.18 0.00 0.00 61.69 60.49 1uh6 s THR 50 Cb -0.15 -2.90 0.32 0.00 1.34 0.00 0.00 72.50 71.11 1uh6 s THR 50 CO 0.09 0.00 1.74 0.40 -0.54 0.00 0.00 174.62 176.32 1uh6 h ILE 51 N -0.69 0.56 0.37 2.99 1.08 -1.72 0.13 117.51 120.21 1uh6 h ILE 51 Ca -0.42 -0.20 -0.02 0.00 -0.39 0.00 0.00 64.86 63.83 1uh6 h ILE 51 Cb 1.29 -0.07 -0.00 0.00 -3.07 0.00 0.00 36.82 34.97 1uh6 h ILE 51 CO 0.51 0.11 -0.23 1.23 -0.69 0.00 0.00 178.15 179.08 1uh6 h GLY 52 N 0.58 -0.78 0.26 5.37 0.00 -1.83 0.70 103.07 107.36 1uh6 h GLY 52 Ca 0.63 0.32 0.24 0.00 0.00 0.00 0.00 47.33 48.53 1uh6 h GLY 52 CO -0.44 -0.27 0.62 -0.55 0.00 0.00 0.00 176.54 175.90 1uh6 h ASP 53 N -0.56 0.09 0.13 0.19 5.19 -1.69 -1.03 116.42 118.74 1uh6 h ASP 53 Ca -0.05 0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.36 1uh6 h ASP 53 Cb 0.45 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 39.95 1uh6 h ASP 53 CO 0.05 0.03 -0.06 0.25 -3.12 0.00 0.00 179.24 176.39 1uh6 h LEU 54 N 0.08 -0.15 -0.91 1.55 7.12 -0.13 -2.96 115.31 119.91 1uh6 h LEU 54 Ca 0.43 0.01 0.38 0.00 0.13 0.00 0.00 57.88 58.82 1uh6 h LEU 54 Cb 1.57 0.04 -0.16 0.00 -0.53 0.00 0.00 40.66 41.57 1uh6 h LEU 54 CO -0.05 -0.05 0.49 0.29 -0.13 0.00 0.00 178.44 179.00 1uh6 n LYS 55 N -2.78 -0.05 0.10 1.25 5.02 0.24 0.18 118.16 122.11 1uh6 n LYS 55 Ca -0.02 1.24 -0.13 0.00 -2.02 0.00 0.00 58.31 57.38 1uh6 n LYS 55 Cb 0.07 -2.23 -0.06 0.00 -0.02 0.00 0.00 35.03 32.79 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 -0.50 -0.35 1.97 1.57 -1.18 0.62 116.57 118.70 1uh6 h LYS 56 Ca 0.77 0.03 0.06 0.00 -1.87 0.00 0.00 60.65 59.63 1uh6 h LYS 56 Cb 2.04 0.11 -0.08 0.00 0.08 0.00 0.00 32.23 34.38 1uh6 h LYS 56 CO -0.68 -0.33 -0.49 -0.07 -0.57 0.00 0.00 179.45 177.30 1uh6 h LEU 57 N -0.52 -1.61 -0.12 2.94 3.38 0.21 0.49 115.31 120.09 1uh6 h LEU 57 Ca 0.04 0.22 0.02 0.00 0.09 0.00 0.00 57.88 58.25 1uh6 h LEU 57 Cb 0.57 0.67 -0.03 0.00 0.09 0.00 0.00 40.66 41.96 1uh6 h LEU 57 CO -0.21 -0.40 -0.26 0.40 0.09 0.00 0.00 178.44 178.05 1uh6 h ILE 58 N -0.40 0.00 -0.76 1.22 2.04 -1.04 1.61 117.51 120.18 1uh6 h ILE 58 Ca 0.10 0.00 0.22 0.00 1.00 0.00 0.00 64.86 66.18 1uh6 h ILE 58 Cb 0.61 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.66 1uh6 h ILE 58 CO -0.55 0.00 0.77 0.00 0.00 0.00 0.00 178.15 178.37 1uh6 h ALA 59 N -0.82 2.57 0.21 1.87 0.00 -0.20 1.73 119.26 124.62 1uh6 h ALA 59 Ca 0.02 -0.03 -0.28 0.00 0.00 0.00 0.00 54.91 54.63 1uh6 h ALA 59 Cb 0.30 0.06 0.03 0.00 0.00 0.00 0.00 17.79 18.18 1uh6 h ALA 59 CO -0.24 -1.16 -1.23 0.00 0.00 0.00 0.00 179.25 176.62 1uh6 h ALA 60 N 1.16 -0.12 -0.08 0.00 0.00 0.56 0.31 119.26 121.09 1uh6 h ALA 60 Ca 0.36 -0.81 -0.07 0.00 0.00 0.00 0.00 54.91 54.38 1uh6 h ALA 60 Cb 1.90 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.86 1uh6 h ALA 60 CO -0.00 0.58 -0.24 1.96 0.00 0.00 0.00 179.25 181.55 1uh6 h GLN 61 N -0.07 0.30 0.01 0.00 1.08 1.12 -3.33 115.11 114.21 1uh6 h GLN 61 Ca -0.22 -0.22 -0.00 0.00 -1.45 0.00 0.00 58.65 56.76 1uh6 h GLN 61 Cb 1.95 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 29.42 1uh6 h GLN 61 CO 0.22 0.84 -0.00 1.79 -0.95 0.00 0.00 178.83 180.73 1uh6 h THR 62 N -0.18 1.52 0.00 -0.54 1.35 0.19 -3.48 112.91 111.77 1uh6 h THR 62 Ca -0.01 -1.61 0.00 0.00 -0.55 0.00 0.00 66.41 64.24 1uh6 h THR 62 Cb 0.87 2.61 0.00 0.00 -1.73 0.00 0.00 68.15 69.90 1uh6 h THR 62 CO 0.05 0.42 0.00 0.61 -0.25 0.00 0.00 175.52 176.35 1uh6 n GLY 63 N 0.78 1.19 0.00 5.82 0.00 0.97 -5.04 105.19 108.91 1uh6 n GLY 63 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1uh6 n GLY 63 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1uh6 n THR 64 N 0.00 0.00 -4.47 2.61 -2.24 -0.51 -4.89 114.28 104.78 1uh6 n THR 64 Ca 0.00 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.44 1uh6 n THR 64 Cb 0.00 -1.20 -0.12 0.00 -2.10 0.00 0.00 70.33 66.92 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 -2.16 3.32 0.62 -0.78 0.52 -1.26 -4.44 118.95 114.78 1uh6 s ARG 65 Ca 0.00 -0.51 0.31 0.00 -0.52 0.00 0.00 55.73 55.01 1uh6 s ARG 65 Cb 0.00 -2.80 1.73 0.00 0.52 0.00 0.00 34.95 34.40 1uh6 s ARG 65 CO 0.00 0.42 2.06 0.11 0.02 0.00 0.00 175.30 177.91 1uh6 h TRP 66 N 6.08 0.00 -0.61 -0.53 5.08 -1.86 1.38 115.95 125.49 1uh6 h TRP 66 Ca -0.39 0.00 -0.16 0.00 1.08 0.00 0.00 58.89 59.42 1uh6 h TRP 66 Cb 1.19 0.00 -0.10 0.00 -3.00 0.00 0.00 29.16 27.25 1uh6 h TRP 66 CO 0.55 0.00 0.21 0.27 -1.28 0.00 0.00 178.44 178.19 1uh6 n ASN 67 N -3.42 4.43 -0.39 0.11 6.94 -1.26 -3.71 115.26 117.96 1uh6 n ASN 67 Ca 0.01 -2.98 0.00 0.00 -0.02 0.00 0.00 54.58 51.59 1uh6 n ASN 67 Cb 0.36 -0.70 0.00 0.00 -2.36 0.00 0.00 39.78 37.07 1uh6 n ASN 67 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1uh6 n LYS 68 N -0.00 0.00 -4.09 -3.83 5.02 0.47 -4.92 118.16 110.80 1uh6 n LYS 68 Ca 0.33 -0.80 -0.33 0.00 -2.02 0.00 0.00 58.31 55.49 1uh6 n LYS 68 Cb 1.20 -0.45 -0.16 0.00 -0.02 0.00 0.00 35.03 35.61 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 0.00 2.14 -0.37 -0.18 1.01 -1.09 -2.69 121.20 120.03 1uh6 s ILE 69 Ca 0.00 -1.19 -0.08 0.00 0.00 0.00 0.00 60.65 59.38 1uh6 s ILE 69 Cb 0.00 -2.04 0.05 0.00 0.01 0.00 0.00 42.46 40.48 1uh6 s ILE 69 CO 0.00 0.32 0.16 -0.69 0.00 0.00 0.00 174.94 174.73 1uh6 s VAL 70 N 1.22 4.01 -0.35 2.92 1.01 0.32 -4.96 120.40 124.58 1uh6 s VAL 70 Ca -0.00 -1.17 -0.17 0.00 0.00 0.00 0.00 61.98 60.64 1uh6 s VAL 70 Cb -0.16 -3.32 -0.00 0.00 0.00 0.00 0.00 36.38 32.90 1uh6 s VAL 70 CO -0.10 -0.28 0.46 -0.76 0.00 0.00 0.00 175.10 174.43 1uh6 s LEU 71 N 1.43 4.41 0.19 3.92 1.43 -1.26 -1.39 118.68 127.42 1uh6 s LEU 71 Ca 0.00 -0.14 0.09 0.00 -1.03 0.00 0.00 54.13 53.05 1uh6 s LEU 71 Cb -0.20 -2.50 -0.04 0.00 0.03 0.00 0.00 46.19 43.48 1uh6 s LEU 71 CO 0.03 -0.45 -0.18 -0.54 0.23 0.00 0.00 176.35 175.45 1uh6 s LYS 72 N 2.26 1.35 -0.35 1.70 1.02 -0.43 -3.23 119.74 122.07 1uh6 s LYS 72 Ca 0.16 -1.50 -0.00 0.00 0.02 0.00 0.00 55.97 54.64 1uh6 s LYS 72 Cb -0.16 -1.35 0.11 0.00 -0.52 0.00 0.00 37.83 35.91 1uh6 s LYS 72 CO 0.13 0.26 0.15 0.21 -0.92 0.00 0.00 175.35 175.18 1uh6 s LYS 73 N -3.10 0.81 1.39 1.68 2.47 -0.61 0.19 119.74 122.56 1uh6 s LYS 73 Ca 0.19 -1.30 0.00 0.00 -1.56 0.00 0.00 55.97 53.30 1uh6 s LYS 73 Cb -0.04 -1.95 0.00 0.00 -1.46 0.00 0.00 37.83 34.37 1uh6 s LYS 73 CO 0.08 -1.06 0.00 0.91 0.16 0.00 0.00 175.35 175.44 1uh6 n TRP 74 N 4.46 0.00 -2.09 4.03 7.02 -1.26 -0.18 117.44 129.42 1uh6 n TRP 74 Ca 0.02 0.00 0.04 0.00 -1.02 0.00 0.00 57.50 56.54 1uh6 n TRP 74 Cb 0.40 0.00 0.06 0.00 -2.42 0.00 0.00 31.31 29.34 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 -4.30 -5.99 9.36 -1.26 -5.08 117.16 109.89 1uh6 n TYR 75 Ca 0.00 -0.56 -0.28 0.00 3.32 0.00 0.00 57.90 60.38 1uh6 n TYR 75 Cb 0.00 -0.14 -0.10 0.00 -0.63 0.00 0.00 39.34 38.47 1uh6 n TYR 75 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 1uh6 s THR 76 N -0.77 2.97 -0.17 2.97 2.01 0.75 -5.12 115.64 118.28 1uh6 s THR 76 Ca 0.25 -1.58 -0.00 0.00 0.31 0.00 0.00 61.69 60.66 1uh6 s THR 76 Cb 0.27 -2.41 0.00 0.00 0.01 0.00 0.00 72.50 70.37 1uh6 s THR 76 CO -0.09 0.01 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.07 1uh6 s ILE 77 N -1.40 2.66 -0.51 1.82 1.01 -1.26 -1.57 121.20 121.95 1uh6 s ILE 77 Ca 0.21 -0.76 -0.21 0.00 0.00 0.00 0.00 60.65 59.88 1uh6 s ILE 77 Cb -0.10 -2.13 0.05 0.00 0.01 0.00 0.00 42.46 40.29 1uh6 s ILE 77 CO 0.12 0.51 0.75 -0.36 0.00 0.00 0.00 174.94 175.96 1uh6 s PHE 78 N 0.96 2.95 0.75 3.97 0.08 -1.20 -5.03 117.98 120.46 1uh6 s PHE 78 Ca -0.03 -0.25 -0.11 0.00 0.12 0.00 0.00 56.93 56.66 1uh6 s PHE 78 Cb -0.15 -3.72 0.04 0.00 -0.57 0.00 0.00 43.02 38.62 1uh6 s PHE 78 CO -0.02 -1.13 1.08 0.15 -0.10 0.00 0.00 175.22 175.20 1uh6 s LYS 79 N 3.17 2.49 0.22 0.44 -0.14 -1.26 -4.84 119.74 119.82 1uh6 s LYS 79 Ca 0.22 0.93 0.23 0.00 -1.36 0.00 0.00 55.97 55.99 1uh6 s LYS 79 Cb -0.16 -1.94 0.09 0.00 -1.68 0.00 0.00 37.83 34.14 1uh6 s LYS 79 CO 0.16 -1.41 1.16 -0.44 -0.76 0.00 0.00 175.35 174.06 1uh6 h ASP 80 N -0.95 0.00 0.15 2.83 3.32 -1.96 -3.23 116.42 116.59 1uh6 h ASP 80 Ca -0.45 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.57 1uh6 h ASP 80 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.78 1uh6 h ASP 80 CO 0.56 0.02 -0.01 0.00 -1.72 0.00 0.00 179.24 178.08 1uh6 n HIS 81 N -2.64 0.00 -4.37 4.55 1.44 -1.26 -4.12 115.22 108.82 1uh6 n HIS 81 Ca 0.01 0.00 -0.34 0.00 -2.01 0.00 0.00 57.72 55.38 1uh6 n HIS 81 Cb 0.53 -0.08 -0.14 0.00 0.12 0.00 0.00 29.99 30.42 1uh6 n HIS 81 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 1uh6 s VAL 82 N -2.17 3.09 1.11 0.61 1.01 -1.22 -5.07 120.40 117.76 1uh6 s VAL 82 Ca 0.41 -0.62 -0.18 0.00 0.00 0.00 0.00 61.98 61.59 1uh6 s VAL 82 Cb 0.21 -2.34 0.26 0.00 0.00 0.00 0.00 36.38 34.51 1uh6 s VAL 82 CO 0.40 0.49 1.20 -0.94 0.00 0.00 0.00 175.10 176.25 1uh6 s SER 83 N 0.88 1.77 0.13 3.32 1.04 -1.26 -3.29 113.70 116.28 1uh6 s SER 83 Ca -0.03 0.45 -0.04 0.00 0.48 0.00 0.00 55.95 56.81 1uh6 s SER 83 Cb -0.15 -0.58 -0.11 0.00 0.10 0.00 0.00 66.02 65.28 1uh6 s SER 83 CO 0.00 -3.58 1.29 -0.07 0.98 0.00 0.00 173.24 171.86 1uh6 h LEU 84 N -2.22 0.50 -2.37 2.42 4.07 -1.72 -3.01 115.31 112.98 1uh6 h LEU 84 Ca -0.44 -0.41 0.00 0.00 0.08 0.00 0.00 57.88 57.10 1uh6 h LEU 84 Cb 1.26 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 42.85 1uh6 h LEU 84 CO 0.34 1.22 0.00 1.23 -1.08 0.00 0.00 178.44 180.16 1uh6 h GLY 85 N 1.32 0.00 0.92 0.83 0.00 -1.91 0.14 103.07 104.37 1uh6 h GLY 85 Ca -0.08 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 46.98 1uh6 h GLY 85 CO 0.17 0.00 -1.19 -0.55 0.00 0.00 0.00 176.54 174.96 1uh6 h ASP 86 N 0.00 0.63 0.20 0.19 5.19 -1.88 -3.24 116.42 117.50 1uh6 h ASP 86 Ca 0.00 -0.93 0.00 0.00 -0.62 0.00 0.00 57.03 55.48 1uh6 h ASP 86 Cb 0.20 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 39.50 1uh6 h ASP 86 CO 0.00 1.57 -0.04 -1.22 -3.12 0.00 0.00 179.24 176.43 1uh6 n TYR 87 N -3.91 0.00 -3.78 4.55 4.01 -0.78 -4.84 117.16 112.41 1uh6 n TYR 87 Ca -0.17 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.29 1uh6 n TYR 87 Cb 0.96 -0.10 0.03 0.00 -0.31 0.00 0.00 39.34 39.92 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 -0.83 -5.82 -1.80 -0.72 -0.58 0.42 -4.86 120.64 106.44 1uh6 n GLU 88 Ca 0.18 0.65 -0.42 0.00 -0.42 0.00 0.00 57.16 57.15 1uh6 n GLU 88 Cb 0.23 -5.56 -0.03 0.00 -0.57 0.00 0.00 31.44 25.50 1uh6 n GLU 88 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1uh6 s ILE 89 N -3.27 2.67 0.09 -3.67 1.01 -0.83 -4.97 121.20 112.23 1uh6 s ILE 89 Ca 0.62 0.22 -0.14 0.00 0.00 0.00 0.00 60.65 61.34 1uh6 s ILE 89 Cb -0.30 -3.14 -0.06 0.00 0.01 0.00 0.00 42.46 38.96 1uh6 s ILE 89 CO 0.77 0.00 0.50 -1.00 0.00 0.00 0.00 174.94 175.20 1uh6 s HIS 90 N 2.49 3.66 -0.13 3.97 3.76 -1.26 -4.92 115.29 122.85 1uh6 s HIS 90 Ca 0.77 1.03 -0.30 0.00 -0.15 0.00 0.00 55.06 56.41 1uh6 s HIS 90 Cb -0.44 -2.33 -0.08 0.00 1.11 0.00 0.00 32.58 30.84 1uh6 s HIS 90 CO 0.34 0.51 2.09 -3.47 -0.85 0.00 0.00 174.74 173.36 1uh6 n ASP 91 N 1.16 3.45 0.00 1.40 -0.08 -1.26 -0.44 116.55 120.78 1uh6 n ASP 91 Ca -0.08 0.57 0.00 0.00 -1.51 0.00 0.00 54.79 53.77 1uh6 n ASP 91 Cb 0.52 -1.48 0.00 0.00 2.34 0.00 0.00 41.12 42.49 1uh6 n ASP 91 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1uh6 n GLY 92 N 5.25 0.81 3.49 0.27 0.00 0.44 -4.84 105.19 110.62 1uh6 n GLY 92 Ca 0.27 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.90 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 0.61 -4.01 1.61 1.56 0.42 -4.53 117.12 111.87 1uh6 n MET 93 Ca 0.00 0.24 -0.31 0.00 -0.27 0.00 0.00 57.70 57.35 1uh6 n MET 93 Cb 0.00 -1.76 -0.15 0.00 2.15 0.00 0.00 33.22 33.46 1uh6 n MET 93 CO 0.00 0.00 0.00 -0.80 -0.73 0.00 0.00 175.97 174.44 1uh6 s ASN 94 N -1.13 4.39 0.41 6.12 0.01 -1.26 -0.39 114.94 123.09 1uh6 s ASN 94 Ca 0.69 -1.58 0.08 0.00 -0.71 0.00 0.00 52.86 51.33 1uh6 s ASN 94 Cb -0.46 -1.46 -0.01 0.00 0.41 0.00 0.00 41.25 39.73 1uh6 s ASN 94 CO 0.54 -0.27 0.42 -0.76 -1.51 0.00 0.00 177.10 175.52 1uh6 s LEU 95 N 1.13 3.48 -0.37 0.60 2.01 -0.90 -4.98 118.68 119.66 1uh6 s LEU 95 Ca -0.02 -0.64 -0.20 0.00 0.01 0.00 0.00 54.13 53.28 1uh6 s LEU 95 Cb -0.19 -2.22 0.01 0.00 0.01 0.00 0.00 46.19 43.79 1uh6 s LEU 95 CO -0.07 -0.65 0.63 -1.61 1.01 0.00 0.00 176.35 175.66 1uh6 s GLU 96 N -4.17 3.59 -0.19 1.70 0.41 0.50 -2.43 118.70 118.11 1uh6 s GLU 96 Ca 0.49 -0.05 -0.21 0.00 -0.41 0.00 0.00 54.97 54.79 1uh6 s GLU 96 Cb -0.05 -3.84 -0.02 0.00 -1.78 0.00 0.00 34.13 28.44 1uh6 s GLU 96 CO 0.29 -0.79 0.65 -1.17 -0.49 0.00 0.00 175.26 173.75 1uh6 s LEU 97 N 2.71 4.15 0.00 1.80 2.96 -1.05 -1.31 118.68 127.95 1uh6 s LEU 97 Ca 0.24 0.87 0.01 0.00 -0.22 0.00 0.00 54.13 55.03 1uh6 s LEU 97 Cb -0.14 -2.92 -0.01 0.00 0.50 0.00 0.00 46.19 43.62 1uh6 s LEU 97 CO 0.16 -0.28 -0.04 -0.31 -1.32 0.00 0.00 176.35 174.55 1uh6 s TYR 98 N 1.89 0.39 -0.01 5.38 2.02 -0.48 -4.57 117.35 121.96 1uh6 s TYR 98 Ca 0.30 -0.15 0.01 0.00 -0.37 0.00 0.00 57.07 56.85 1uh6 s TYR 98 Cb -0.16 -0.25 -0.04 0.00 -0.40 0.00 0.00 41.96 41.12 1uh6 s TYR 98 CO 0.11 -0.03 0.01 0.71 -1.57 0.00 0.00 175.55 174.78 1uh6 s TYR 99 N -0.35 3.11 -2.41 2.71 2.02 -1.26 0.12 117.35 121.29 1uh6 s TYR 99 Ca -0.01 0.11 0.29 0.00 -0.37 0.00 0.00 57.07 57.09 1uh6 s TYR 99 Cb -0.03 -1.69 1.20 0.00 -0.40 0.00 0.00 41.96 41.03 1uh6 s TYR 99 CO -0.00 0.47 1.83 1.04 -1.57 0.00 0.00 175.55 177.32