#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 2.88 0.21 0.03 2.47 -1.26 -5.06 119.74 119.01 1uh6 s LYS 2 Ca 0.00 -1.00 -0.32 0.00 -1.56 0.00 0.00 55.97 53.09 1uh6 s LYS 2 Cb 0.00 -2.57 -0.14 0.00 -1.46 0.00 0.00 37.83 33.65 1uh6 s LYS 2 CO 0.00 0.43 1.31 0.41 0.16 0.00 0.00 175.35 177.67 1uh6 n GLY 3 N -0.81 0.49 3.87 5.54 0.00 -1.26 -4.96 105.19 108.06 1uh6 n GLY 3 Ca -0.08 0.51 -0.32 0.00 0.00 0.00 0.00 46.02 46.13 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 0.18 6.66 -0.28 1.61 0.01 -1.26 -4.97 113.70 115.64 1uh6 s SER 4 Ca 0.70 0.97 -0.31 0.00 1.31 0.00 0.00 55.95 58.62 1uh6 s SER 4 Cb -0.73 -2.25 -0.08 0.00 0.21 0.00 0.00 66.02 63.17 1uh6 s SER 4 CO 0.50 -0.07 2.22 -1.54 0.41 0.00 0.00 173.24 174.77 1uh6 n SER 5 N -0.05 2.73 -2.71 2.44 3.41 -1.26 -4.79 113.62 113.39 1uh6 n SER 5 Ca 0.00 0.27 -0.05 0.00 -0.26 0.00 0.00 58.87 58.84 1uh6 n SER 5 Cb 0.52 -1.43 0.04 0.00 -0.26 0.00 0.00 64.21 63.09 1uh6 n SER 5 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 1uh6 n HIS 6 N 11.00 -1.92 -3.64 7.33 -0.00 -1.26 -5.14 115.22 121.58 1uh6 n HIS 6 Ca 0.35 -1.03 -0.07 0.00 -0.00 0.00 0.00 57.72 56.97 1uh6 n HIS 6 Cb 0.35 1.27 -0.07 0.00 -0.00 0.00 0.00 29.99 31.55 1uh6 n HIS 6 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 1uh6 s HIS 7 N 0.71 -0.70 -0.79 1.57 5.04 -1.26 -5.01 115.29 114.85 1uh6 s HIS 7 Ca 0.27 1.50 -0.00 0.00 -1.54 0.00 0.00 55.06 55.29 1uh6 s HIS 7 Cb 0.13 0.42 -0.00 0.00 0.04 0.00 0.00 32.58 33.17 1uh6 s HIS 7 CO -0.11 -0.35 0.65 0.72 -2.34 0.00 0.00 174.74 173.31 1uh6 n HIS 8 N 3.40 -2.49 -3.67 3.88 8.25 -1.26 -5.01 115.22 118.32 1uh6 n HIS 8 Ca -0.17 0.98 -0.11 0.00 -0.26 0.00 0.00 57.72 58.16 1uh6 n HIS 8 Cb 0.57 -3.42 -0.08 0.00 1.12 0.00 0.00 29.99 28.18 1uh6 n HIS 8 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1uh6 s HIS 9 N -3.00 -0.77 -0.60 4.41 5.04 -1.26 -5.11 115.29 114.00 1uh6 s HIS 9 Ca 0.00 1.70 -0.20 0.00 -1.54 0.00 0.00 55.06 55.03 1uh6 s HIS 9 Cb -0.00 0.36 0.09 0.00 0.04 0.00 0.00 32.58 33.07 1uh6 s HIS 9 CO 0.83 -0.39 0.77 -3.38 -2.34 0.00 0.00 174.74 170.23 1uh6 s HIS 10 N 0.95 2.92 -0.03 3.88 -3.43 -1.26 -4.80 115.29 113.51 1uh6 s HIS 10 Ca -0.05 -0.80 -0.08 0.00 -0.80 0.00 0.00 55.06 53.33 1uh6 s HIS 10 Cb -0.05 -4.04 -0.03 0.00 -1.43 0.00 0.00 32.58 27.03 1uh6 s HIS 10 CO -0.08 -1.36 -0.16 1.58 -2.00 0.00 0.00 174.74 172.72 1uh6 n HIS 11 N 6.68 0.00 -1.03 0.38 -0.00 -1.26 -5.03 115.22 114.96 1uh6 n HIS 11 Ca -0.08 0.00 -0.33 0.00 -0.00 0.00 0.00 57.72 57.31 1uh6 n HIS 11 Cb 0.43 -0.23 0.13 0.00 -0.00 0.00 0.00 29.99 30.32 1uh6 n HIS 11 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1uh6 n SER 12 N -3.91 0.67 -3.41 0.26 2.88 -1.26 -5.02 113.62 103.83 1uh6 n SER 12 Ca -0.07 0.55 -0.16 0.00 -1.33 0.00 0.00 58.87 57.86 1uh6 n SER 12 Cb 0.25 -1.48 -0.10 0.00 -0.75 0.00 0.00 64.21 62.14 1uh6 n SER 12 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1uh6 s SER 13 N -2.17 1.28 0.14 -3.46 0.15 -1.26 -5.14 113.70 103.24 1uh6 s SER 13 Ca 0.71 -0.43 -0.13 0.00 0.70 0.00 0.00 55.95 56.79 1uh6 s SER 13 Cb -0.28 0.62 0.02 0.00 -1.71 0.00 0.00 66.02 64.66 1uh6 s SER 13 CO 0.53 -0.36 0.36 -0.83 1.20 0.00 0.00 173.24 174.14 1uh6 s GLY 14 N 2.39 -0.02 0.00 9.45 0.00 -1.26 -5.09 107.32 112.80 1uh6 s GLY 14 Ca 0.09 -0.36 0.00 0.00 0.00 0.00 0.00 44.72 44.45 1uh6 s GLY 14 CO -0.25 -0.50 0.00 0.00 0.00 0.00 0.00 173.10 172.35 1uh6 n ALA 15 N -0.21 1.98 -3.10 3.20 0.00 -1.26 -5.12 120.51 115.99 1uh6 n ALA 15 Ca -0.13 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.08 1uh6 n ALA 15 Cb 0.63 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.92 1uh6 n ALA 15 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1uh6 s SER 16 N -2.91 1.62 0.11 0.00 0.01 -1.26 -5.14 113.70 106.13 1uh6 s SER 16 Ca 0.00 -0.26 0.00 0.00 1.31 0.00 0.00 55.95 57.00 1uh6 s SER 16 Cb 0.00 -0.52 -0.04 0.00 0.21 0.00 0.00 66.02 65.67 1uh6 s SER 16 CO 0.00 0.08 -0.01 -0.76 0.41 0.00 0.00 173.24 172.96 1uh6 s LEU 17 N 0.27 2.22 -0.59 2.44 1.43 -1.26 -5.10 118.68 118.09 1uh6 s LEU 17 Ca -0.06 -1.09 0.05 0.00 -1.03 0.00 0.00 54.13 52.00 1uh6 s LEU 17 Cb -0.11 0.10 0.20 0.00 0.03 0.00 0.00 46.19 46.41 1uh6 s LEU 17 CO 0.02 -0.59 0.53 0.52 0.23 0.00 0.00 176.35 177.05 1uh6 n VAL 18 N -0.06 0.91 -2.50 -1.59 0.31 -1.26 -5.09 118.33 109.05 1uh6 n VAL 18 Ca -0.10 -4.54 -0.41 0.00 -0.01 0.00 0.00 64.34 59.28 1uh6 n VAL 18 Cb 0.62 -2.02 -0.04 0.00 -0.91 0.00 0.00 33.84 31.49 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 -1.37 4.62 -0.02 5.55 0.04 -1.26 -4.95 135.00 137.61 1uh6 s PRO 19 Ca 0.32 1.75 -0.04 0.00 0.04 0.00 0.00 61.00 63.07 1uh6 s PRO 19 Cb 0.05 -3.24 -0.02 0.00 0.04 0.00 0.00 34.50 31.33 1uh6 s PRO 19 CO -0.13 0.15 -0.10 -2.13 0.04 0.00 0.00 177.00 174.83 1uh6 n ARG 20 N 1.83 0.15 -3.24 4.56 0.63 -1.26 -5.02 116.66 114.32 1uh6 n ARG 20 Ca 0.01 0.06 -0.39 0.00 -0.92 0.00 0.00 57.85 56.62 1uh6 n ARG 20 Cb 0.45 -0.76 -0.06 0.00 0.45 0.00 0.00 32.46 32.55 1uh6 n ARG 20 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 1uh6 s GLY 21 N -4.66 2.62 -0.06 5.14 0.00 -1.26 -5.06 107.32 104.04 1uh6 s GLY 21 Ca -0.09 0.01 -0.20 0.00 0.00 0.00 0.00 44.72 44.45 1uh6 s GLY 21 CO 0.12 0.65 0.55 -0.56 0.00 0.00 0.00 173.10 173.86 1uh6 s SER 22 N -0.44 6.84 -0.33 1.64 0.01 -1.26 -5.00 113.70 115.17 1uh6 s SER 22 Ca 0.30 1.01 -0.09 0.00 1.31 0.00 0.00 55.95 58.48 1uh6 s SER 22 Cb -0.18 -2.33 0.19 0.00 0.21 0.00 0.00 66.02 63.91 1uh6 s SER 22 CO 0.17 0.05 1.06 -0.70 0.41 0.00 0.00 173.24 174.23 1uh6 s GLU 23 N 0.21 0.18 0.00 12.44 2.12 -1.26 -5.16 118.70 127.23 1uh6 s GLU 23 Ca 0.29 -0.08 0.00 0.00 0.36 0.00 0.00 54.97 55.54 1uh6 s GLU 23 Cb -0.17 0.02 0.00 0.00 0.26 0.00 0.00 34.13 34.24 1uh6 s GLU 23 CO 0.14 -0.25 0.00 0.41 -0.54 0.00 0.00 175.26 175.02 1uh6 n GLY 24 N 3.52 3.30 3.26 -1.50 0.00 -1.26 -5.08 105.19 107.43 1uh6 n GLY 24 Ca 0.06 -1.95 -0.34 0.00 0.00 0.00 0.00 46.02 43.79 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 -1.08 -3.86 -3.00 4.61 0.00 -1.26 -4.91 120.51 111.02 1uh6 n ALA 25 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 53.44 52.61 1uh6 n ALA 25 Cb 0.00 -1.51 0.00 0.00 0.00 0.00 0.00 19.45 17.94 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 -3.51 0.00 -1.64 0.00 0.00 -1.26 -4.97 120.51 109.13 1uh6 n ALA 26 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.13 1uh6 n ALA 26 Cb 0.58 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.05 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 3.34 3.28 -0.20 0.00 2.01 -1.26 -4.78 115.64 118.03 1uh6 s THR 27 Ca 0.00 0.68 -0.08 0.00 0.31 0.00 0.00 61.69 62.60 1uh6 s THR 27 Cb 0.00 -3.21 -0.04 0.00 0.01 0.00 0.00 72.50 69.26 1uh6 s THR 27 CO 0.00 -0.29 0.09 -0.04 -0.69 0.00 0.00 174.62 173.69 1uh6 s MET 28 N -3.75 3.97 -0.03 4.92 -1.94 -1.26 -1.66 119.30 119.54 1uh6 s MET 28 Ca 0.69 -0.34 0.04 0.00 -1.71 0.00 0.00 55.69 54.37 1uh6 s MET 28 Cb -0.21 -3.31 -0.00 0.00 2.01 0.00 0.00 34.83 33.31 1uh6 s MET 28 CO 0.35 0.17 -0.14 0.96 -0.01 0.00 0.00 175.02 176.34 1uh6 s ILE 29 N 0.69 1.19 0.05 2.53 -4.36 0.33 -4.93 121.20 116.70 1uh6 s ILE 29 Ca 0.05 -0.60 -0.16 0.00 -0.26 0.00 0.00 60.65 59.68 1uh6 s ILE 29 Cb -0.13 -1.02 -0.06 0.00 1.25 0.00 0.00 42.46 42.50 1uh6 s ILE 29 CO 0.02 0.35 0.48 -0.70 0.24 0.00 0.00 174.94 175.32 1uh6 s GLU 30 N -0.05 4.00 0.25 0.37 2.12 -1.26 -1.14 118.70 123.00 1uh6 s GLU 30 Ca -0.01 0.50 0.11 0.00 0.36 0.00 0.00 54.97 55.94 1uh6 s GLU 30 Cb -0.09 -3.16 -0.05 0.00 0.26 0.00 0.00 34.13 31.10 1uh6 s GLU 30 CO 0.01 0.63 -0.18 0.14 -0.54 0.00 0.00 175.26 175.32 1uh6 s VAL 31 N -1.18 2.60 -0.32 3.70 -7.23 0.27 0.19 120.40 118.43 1uh6 s VAL 31 Ca 0.29 -2.23 0.02 0.00 -1.81 0.00 0.00 61.98 58.25 1uh6 s VAL 31 Cb -0.17 -2.34 0.10 0.00 0.56 0.00 0.00 36.38 34.53 1uh6 s VAL 31 CO 0.17 -0.32 0.05 -0.69 -0.31 0.00 0.00 175.10 174.00 1uh6 s VAL 32 N -2.26 1.77 -0.22 1.32 1.01 0.20 -2.00 120.40 120.23 1uh6 s VAL 32 Ca 0.28 -1.95 -0.28 0.00 0.00 0.00 0.00 61.98 60.03 1uh6 s VAL 32 Cb -0.06 -2.29 0.00 0.00 0.00 0.00 0.00 36.38 34.03 1uh6 s VAL 32 CO 0.14 -0.58 0.98 0.00 0.00 0.00 0.00 175.10 175.64 1uh6 s ASN 34 N 1.22 6.26 0.68 0.00 0.01 -1.02 -1.87 114.94 120.21 1uh6 s ASN 34 Ca 0.42 -0.67 -0.00 0.00 -0.71 0.00 0.00 52.86 51.90 1uh6 s ASN 34 Cb -0.15 -2.42 0.10 0.00 0.41 0.00 0.00 41.25 39.19 1uh6 s ASN 34 CO 0.08 -1.30 0.94 1.51 -1.51 0.00 0.00 177.10 176.82 1uh6 s ASP 35 N 3.19 4.61 -0.33 -1.22 1.47 -1.26 -1.76 116.67 121.38 1uh6 s ASP 35 Ca 0.26 -0.24 0.09 0.00 1.18 0.00 0.00 52.55 53.84 1uh6 s ASP 35 Cb -0.15 -0.28 0.67 0.00 -0.34 0.00 0.00 42.92 42.82 1uh6 s ASP 35 CO 0.15 -1.66 1.73 0.54 0.68 0.00 0.00 175.17 176.60 1uh6 n ARG 36 N -2.71 3.07 0.01 2.11 5.12 -1.26 -4.20 116.66 118.80 1uh6 n ARG 36 Ca 0.13 -3.07 0.06 0.00 -1.93 0.00 0.00 57.85 53.04 1uh6 n ARG 36 Cb 0.60 -2.10 -0.11 0.00 -1.16 0.00 0.00 32.46 29.69 1uh6 n ARG 36 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1uh6 n LEU 37 N -0.53 0.39 0.00 0.55 4.77 -1.26 -4.99 117.00 115.93 1uh6 n LEU 37 Ca 0.41 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.55 1uh6 n LEU 37 Cb 1.33 0.08 0.00 0.00 -2.33 0.00 0.00 43.42 42.49 1uh6 n LEU 37 CO 0.40 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 1uh6 n GLY 38 N 1.34 2.43 3.83 -0.72 0.00 -1.26 -5.07 105.19 105.74 1uh6 n GLY 38 Ca -0.09 -0.86 -0.35 0.00 0.00 0.00 0.00 46.02 44.73 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 3.26 0.61 1.61 -2.85 -1.26 -5.02 119.74 116.08 1uh6 s LYS 39 Ca 0.00 -0.32 -0.07 0.00 -1.00 0.00 0.00 55.97 54.58 1uh6 s LYS 39 Cb 0.00 -3.01 0.01 0.00 -2.06 0.00 0.00 37.83 32.77 1uh6 s LYS 39 CO 0.00 0.70 0.94 0.15 0.10 0.00 0.00 175.35 177.24 1uh6 s LYS 40 N -1.43 2.90 -0.11 1.78 1.02 -1.26 -4.36 119.74 118.28 1uh6 s LYS 40 Ca 0.20 0.08 0.03 0.00 0.02 0.00 0.00 55.97 56.29 1uh6 s LYS 40 Cb -0.12 -2.22 0.01 0.00 -0.52 0.00 0.00 37.83 34.97 1uh6 s LYS 40 CO 0.10 -0.77 -0.19 0.08 -0.92 0.00 0.00 175.35 173.65 1uh6 s VAL 41 N -3.06 1.77 -0.24 3.17 1.01 -0.78 -4.98 120.40 117.29 1uh6 s VAL 41 Ca 0.55 -0.83 -0.06 0.00 0.00 0.00 0.00 61.98 61.64 1uh6 s VAL 41 Cb -0.11 -1.57 -0.02 0.00 0.00 0.00 0.00 36.38 34.68 1uh6 s VAL 41 CO 0.46 0.50 0.03 -0.13 0.00 0.00 0.00 175.10 175.96 1uh6 s ARG 42 N 0.69 3.57 -0.01 2.72 0.52 -1.26 -0.72 118.95 124.46 1uh6 s ARG 42 Ca -0.12 -0.52 0.03 0.00 -0.52 0.00 0.00 55.73 54.60 1uh6 s ARG 42 Cb -0.16 -3.21 -0.01 0.00 0.52 0.00 0.00 34.95 32.09 1uh6 s ARG 42 CO 0.03 -0.17 -0.11 0.08 0.02 0.00 0.00 175.30 175.14 1uh6 s VAL 43 N 1.52 0.92 -0.00 3.52 1.01 -0.85 -4.96 120.40 121.55 1uh6 s VAL 43 Ca 0.06 -0.49 -0.11 0.00 0.00 0.00 0.00 61.98 61.44 1uh6 s VAL 43 Cb -0.15 -0.77 -0.05 0.00 0.00 0.00 0.00 36.38 35.41 1uh6 s VAL 43 CO 0.01 0.26 0.34 -1.59 0.00 0.00 0.00 175.10 174.12 1uh6 s LYS 44 N -0.20 3.75 0.28 2.72 0.00 -1.26 -0.56 119.74 124.47 1uh6 s LYS 44 Ca 0.03 0.19 -0.10 0.00 0.00 0.00 0.00 55.97 56.10 1uh6 s LYS 44 Cb -0.05 -3.15 0.00 0.00 0.00 0.00 0.00 37.83 34.63 1uh6 s LYS 44 CO -0.00 0.67 0.49 0.00 0.00 0.00 0.00 175.35 176.52 1uh6 s ASN 46 N -3.09 5.32 0.41 0.00 0.01 -1.26 0.12 114.94 116.46 1uh6 s ASN 46 Ca 0.25 -0.36 0.23 0.00 -0.71 0.00 0.00 52.86 52.26 1uh6 s ASN 46 Cb -0.01 -1.23 0.65 0.00 0.41 0.00 0.00 41.25 41.07 1uh6 s ASN 46 CO 0.12 -0.09 1.71 0.71 -1.51 0.00 0.00 177.10 178.04 1uh6 h THR 47 N 1.51 0.46 0.00 1.60 1.35 -1.62 -2.83 112.91 113.38 1uh6 h THR 47 Ca -0.47 -1.30 -0.07 0.00 -0.55 0.00 0.00 66.41 64.02 1uh6 h THR 47 Cb 1.24 1.94 -0.01 0.00 -1.73 0.00 0.00 68.15 69.60 1uh6 h THR 47 CO 0.60 0.22 -0.33 -0.78 -0.25 0.00 0.00 175.52 174.98 1uh6 h ASP 48 N 0.00 0.00 -3.95 5.36 1.82 -1.91 -3.30 116.42 114.43 1uh6 h ASP 48 Ca -0.00 0.00 -0.49 0.00 -0.39 0.00 0.00 57.03 56.14 1uh6 h ASP 48 Cb 0.93 0.00 0.03 0.00 0.68 0.00 0.00 39.33 40.97 1uh6 h ASP 48 CO 0.03 0.33 0.25 -1.81 -1.61 0.00 0.00 179.24 176.43 1uh6 s ASP 49 N -6.57 6.39 0.42 2.28 1.01 -1.07 -4.96 116.67 114.17 1uh6 s ASP 49 Ca -0.02 1.25 0.07 0.00 0.71 0.00 0.00 52.55 54.57 1uh6 s ASP 49 Cb 0.13 -2.38 -0.03 0.00 1.01 0.00 0.00 42.92 41.64 1uh6 s ASP 49 CO 0.68 -0.62 0.31 0.42 0.21 0.00 0.00 175.17 176.17 1uh6 s THR 50 N -2.76 2.50 0.28 -1.27 -4.23 -1.26 -3.47 115.64 105.43 1uh6 s THR 50 Ca 0.53 -1.48 -0.02 0.00 -1.18 0.00 0.00 61.69 59.54 1uh6 s THR 50 Cb -0.10 -2.98 0.35 0.00 1.34 0.00 0.00 72.50 71.11 1uh6 s THR 50 CO 0.42 0.00 1.61 0.40 -0.54 0.00 0.00 174.62 176.50 1uh6 h ILE 51 N 1.16 0.19 -0.46 2.99 1.08 -1.73 0.19 117.51 120.94 1uh6 h ILE 51 Ca -0.42 -0.03 0.07 0.00 -0.39 0.00 0.00 64.86 64.10 1uh6 h ILE 51 Cb 1.26 0.11 -0.09 0.00 -3.07 0.00 0.00 36.82 35.03 1uh6 h ILE 51 CO 0.62 0.01 -0.47 1.23 -0.69 0.00 0.00 178.15 178.85 1uh6 h GLY 52 N 0.07 -0.67 1.54 5.37 0.00 -1.81 1.62 103.07 109.19 1uh6 h GLY 52 Ca 0.51 0.61 0.01 0.00 0.00 0.00 0.00 47.33 48.46 1uh6 h GLY 52 CO -0.79 -0.16 0.30 -0.55 0.00 0.00 0.00 176.54 175.35 1uh6 h ASP 53 N -0.32 0.51 0.36 0.19 5.19 -1.04 -1.80 116.42 119.51 1uh6 h ASP 53 Ca 0.13 -0.01 -0.02 0.00 -0.62 0.00 0.00 57.03 56.51 1uh6 h ASP 53 Cb 0.58 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 39.97 1uh6 h ASP 53 CO -0.62 0.37 -0.17 0.25 -3.12 0.00 0.00 179.24 175.95 1uh6 h LEU 54 N 0.60 -0.40 -0.58 1.55 5.85 0.17 -2.71 115.31 119.79 1uh6 h LEU 54 Ca 0.17 -0.14 0.10 0.00 0.84 0.00 0.00 57.88 58.85 1uh6 h LEU 54 Cb -0.05 0.10 -0.11 0.00 0.37 0.00 0.00 40.66 40.98 1uh6 h LEU 54 CO -0.04 -0.06 -0.36 0.11 -0.34 0.00 0.00 178.44 177.75 1uh6 h LYS 55 N -0.78 -0.18 -0.52 1.25 1.57 0.26 -0.23 116.57 117.94 1uh6 h LYS 55 Ca -0.05 0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.80 1uh6 h LYS 55 Cb 0.52 0.04 -0.09 0.00 0.08 0.00 0.00 32.23 32.78 1uh6 h LYS 55 CO 0.08 -0.12 -0.53 0.87 -0.57 0.00 0.00 179.45 179.18 1uh6 h LYS 56 N -0.18 -0.27 -0.51 3.15 1.57 -1.31 0.22 116.57 119.24 1uh6 h LYS 56 Ca 0.22 0.02 0.05 0.00 -1.87 0.00 0.00 60.65 59.07 1uh6 h LYS 56 Cb 0.56 0.06 -0.07 0.00 0.08 0.00 0.00 32.23 32.86 1uh6 h LYS 56 CO -0.68 -0.18 -0.38 -0.07 -0.57 0.00 0.00 179.45 177.57 1uh6 h LEU 57 N -0.28 -1.36 -0.44 2.94 3.38 -0.74 1.49 115.31 120.30 1uh6 h LEU 57 Ca 0.09 0.20 0.05 0.00 0.09 0.00 0.00 57.88 58.30 1uh6 h LEU 57 Cb 0.51 0.58 -0.07 0.00 0.09 0.00 0.00 40.66 41.78 1uh6 h LEU 57 CO -0.64 -0.19 -0.45 0.40 0.09 0.00 0.00 178.44 177.64 1uh6 h ILE 58 N -0.10 0.00 -0.70 1.22 2.04 -0.20 1.78 117.51 121.56 1uh6 h ILE 58 Ca 0.08 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.15 1uh6 h ILE 58 Cb 0.32 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.37 1uh6 h ILE 58 CO -0.53 0.00 0.53 0.00 0.00 0.00 0.00 178.15 178.14 1uh6 h ALA 59 N -0.18 2.62 -0.00 1.87 0.00 0.96 1.19 119.26 125.72 1uh6 h ALA 59 Ca 0.07 -0.02 -0.24 0.00 0.00 0.00 0.00 54.91 54.72 1uh6 h ALA 59 Cb 0.44 0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.29 1uh6 h ALA 59 CO -0.54 -0.89 -0.97 0.00 0.00 0.00 0.00 179.25 176.86 1uh6 h ALA 60 N 1.60 0.30 0.10 0.00 0.00 1.21 0.74 119.26 123.22 1uh6 h ALA 60 Ca 0.33 -0.70 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 1uh6 h ALA 60 Cb 1.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1uh6 h ALA 60 CO -0.00 0.78 -0.05 1.96 0.00 0.00 0.00 179.25 181.94 1uh6 h GLN 61 N 0.28 -0.13 -0.37 0.00 1.08 0.82 -3.34 115.11 113.46 1uh6 h GLN 61 Ca -0.09 0.01 -0.15 0.00 -1.45 0.00 0.00 58.65 56.96 1uh6 h GLN 61 Cb 1.61 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 29.06 1uh6 h GLN 61 CO 0.17 0.35 -0.37 1.79 -0.95 0.00 0.00 178.83 179.83 1uh6 h THR 62 N -0.90 1.28 0.00 -0.54 1.35 0.94 -3.47 112.91 111.55 1uh6 h THR 62 Ca -0.01 -1.54 0.00 0.00 -0.55 0.00 0.00 66.41 64.31 1uh6 h THR 62 Cb 0.54 1.42 0.00 0.00 -1.73 0.00 0.00 68.15 68.38 1uh6 h THR 62 CO 0.02 0.51 0.00 0.61 -0.25 0.00 0.00 175.52 176.41 1uh6 n GLY 63 N 0.14 0.94 1.99 5.82 0.00 0.24 -5.04 105.19 109.26 1uh6 n GLY 63 Ca -0.03 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.97 0.00 -3.77 2.61 -2.24 0.10 -4.91 114.28 105.10 1uh6 n THR 64 Ca 0.00 -0.53 -0.36 0.00 -2.27 0.00 0.00 64.05 60.89 1uh6 n THR 64 Cb 0.00 -1.69 -0.07 0.00 -2.10 0.00 0.00 70.33 66.47 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 -4.42 3.88 0.54 -0.78 0.52 -1.26 -4.35 118.95 113.08 1uh6 s ARG 65 Ca 0.38 -0.14 0.22 0.00 -0.52 0.00 0.00 55.73 55.67 1uh6 s ARG 65 Cb -0.01 -3.32 1.49 0.00 0.52 0.00 0.00 34.95 33.63 1uh6 s ARG 65 CO 0.27 0.51 2.18 0.11 0.02 0.00 0.00 175.30 178.38 1uh6 h TRP 66 N 5.92 0.00 -0.00 -0.53 5.08 -1.87 0.80 115.95 125.35 1uh6 h TRP 66 Ca -0.47 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.50 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 0.66 0.02 -0.01 0.27 -1.28 0.00 0.00 178.44 178.10 1uh6 n ASN 67 N -4.20 0.08 -1.94 0.11 6.94 -1.26 -3.09 115.26 111.90 1uh6 n ASN 67 Ca -0.03 -0.59 -0.17 0.00 -0.02 0.00 0.00 54.58 53.77 1uh6 n ASN 67 Cb 0.10 -0.14 0.05 0.00 -2.36 0.00 0.00 39.78 37.43 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 -1.10 3.12 -3.92 -3.83 4.76 0.28 -4.77 118.16 112.71 1uh6 n LYS 68 Ca 0.19 -3.96 -0.18 0.00 -2.87 0.00 0.00 58.31 51.49 1uh6 n LYS 68 Cb 0.19 -2.09 -0.16 0.00 -1.84 0.00 0.00 35.03 31.12 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 -4.28 0.20 -0.13 -0.18 1.01 -1.15 -3.61 121.20 113.06 1uh6 s ILE 69 Ca 0.47 0.10 0.01 0.00 0.00 0.00 0.00 60.65 61.22 1uh6 s ILE 69 Cb 0.40 -0.30 0.02 0.00 0.01 0.00 0.00 42.46 42.58 1uh6 s ILE 69 CO 0.02 0.16 -0.14 -0.69 0.00 0.00 0.00 174.94 174.28 1uh6 s VAL 70 N 1.15 1.54 -0.34 2.92 1.01 0.50 -4.93 120.40 122.26 1uh6 s VAL 70 Ca -0.08 -0.63 -0.11 0.00 0.00 0.00 0.00 61.98 61.15 1uh6 s VAL 70 Cb -0.13 -1.43 -0.00 0.00 0.00 0.00 0.00 36.38 34.81 1uh6 s VAL 70 CO -0.02 0.45 0.20 -0.76 0.00 0.00 0.00 175.10 174.98 1uh6 s LEU 71 N 1.31 4.42 0.11 3.92 2.01 -1.24 -0.77 118.68 128.43 1uh6 s LEU 71 Ca 0.01 -0.58 0.10 0.00 0.01 0.00 0.00 54.13 53.67 1uh6 s LEU 71 Cb -0.14 -2.07 -0.04 0.00 0.01 0.00 0.00 46.19 43.96 1uh6 s LEU 71 CO -0.07 -0.25 -0.26 -0.54 1.01 0.00 0.00 176.35 176.23 1uh6 s LYS 72 N 1.65 1.46 -0.36 1.70 1.02 -0.39 -3.00 119.74 121.83 1uh6 s LYS 72 Ca 0.05 -1.27 0.01 0.00 0.02 0.00 0.00 55.97 54.79 1uh6 s LYS 72 Cb -0.18 -1.86 0.11 0.00 -0.52 0.00 0.00 37.83 35.39 1uh6 s LYS 72 CO 0.08 0.45 0.12 0.21 -0.92 0.00 0.00 175.35 175.29 1uh6 s LYS 73 N -1.84 1.13 0.00 1.68 2.47 -0.21 0.10 119.74 123.08 1uh6 s LYS 73 Ca 0.13 -1.58 0.00 0.00 -1.56 0.00 0.00 55.97 52.95 1uh6 s LYS 73 Cb -0.10 -2.51 0.00 0.00 -1.46 0.00 0.00 37.83 33.76 1uh6 s LYS 73 CO 0.05 -1.01 0.00 0.91 0.16 0.00 0.00 175.35 175.46 1uh6 n TRP 74 N 4.32 0.00 0.00 4.03 7.02 -1.26 -2.25 117.44 129.31 1uh6 n TRP 74 Ca 0.02 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.50 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 0.66 -2.02 0.00 0.00 177.69 176.33 1uh6 n TYR 75 N 0.00 0.00 -1.89 -5.99 4.01 -1.26 -5.09 117.16 106.94 1uh6 n TYR 75 Ca 0.00 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.36 1uh6 n TYR 75 Cb 0.00 0.13 0.03 0.00 -0.31 0.00 0.00 39.34 39.19 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 -1.52 2.32 -0.13 -0.72 2.01 -0.95 -5.01 115.64 111.63 1uh6 s THR 76 Ca 0.00 0.24 0.01 0.00 0.31 0.00 0.00 61.69 62.24 1uh6 s THR 76 Cb 0.00 -3.12 -0.01 0.00 0.01 0.00 0.00 72.50 69.38 1uh6 s THR 76 CO 0.00 -0.01 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.14 1uh6 s ILE 77 N -1.38 2.81 -0.30 1.82 1.09 -1.26 -1.04 121.20 122.94 1uh6 s ILE 77 Ca 0.71 -0.74 -0.20 0.00 -1.10 0.00 0.00 60.65 59.32 1uh6 s ILE 77 Cb -0.37 -2.17 -0.01 0.00 -1.06 0.00 0.00 42.46 38.85 1uh6 s ILE 77 CO 0.43 0.53 0.62 -0.36 -0.10 0.00 0.00 174.94 176.06 1uh6 s PHE 78 N 0.47 3.22 1.15 3.97 0.08 -1.16 -5.02 117.98 120.69 1uh6 s PHE 78 Ca -0.11 0.60 -0.18 0.00 0.12 0.00 0.00 56.93 57.36 1uh6 s PHE 78 Cb -0.16 -2.96 0.27 0.00 -0.57 0.00 0.00 43.02 39.59 1uh6 s PHE 78 CO 0.05 -0.45 1.15 0.15 -0.10 0.00 0.00 175.22 176.02 1uh6 s LYS 79 N 2.58 -0.83 0.01 0.44 -0.14 -1.26 -4.72 119.74 115.83 1uh6 s LYS 79 Ca 0.25 -0.13 0.23 0.00 -1.36 0.00 0.00 55.97 54.96 1uh6 s LYS 79 Cb -0.15 -1.65 0.18 0.00 -1.68 0.00 0.00 37.83 34.53 1uh6 s LYS 79 CO 0.11 -3.44 1.18 -0.40 -0.76 0.00 0.00 175.35 172.04 1uh6 n ASP 80 N -4.55 0.68 0.07 2.83 5.75 -1.26 -3.72 116.55 116.35 1uh6 n ASP 80 Ca 0.13 -0.49 0.12 0.00 -0.01 0.00 0.00 54.79 54.55 1uh6 n ASP 80 Cb 0.59 0.59 0.23 0.00 -1.03 0.00 0.00 41.12 41.51 1uh6 n ASP 80 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1uh6 n HIS 81 N -1.58 0.66 -3.69 2.11 1.44 -1.26 -3.90 115.22 109.00 1uh6 n HIS 81 Ca 0.04 0.19 -0.37 0.00 -2.01 0.00 0.00 57.72 55.57 1uh6 n HIS 81 Cb 0.35 -0.73 -0.06 0.00 0.12 0.00 0.00 29.99 29.67 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 -3.15 5.27 0.57 0.61 1.01 -1.24 -5.03 120.40 118.44 1uh6 s VAL 82 Ca 0.07 0.52 -0.02 0.00 0.00 0.00 0.00 61.98 62.55 1uh6 s VAL 82 Cb 0.13 -3.55 0.03 0.00 0.00 0.00 0.00 36.38 32.98 1uh6 s VAL 82 CO 0.69 0.60 0.83 -0.94 0.00 0.00 0.00 175.10 176.28 1uh6 s SER 83 N -1.03 5.34 0.07 3.32 1.04 -1.26 -2.97 113.70 118.20 1uh6 s SER 83 Ca 0.19 0.30 -0.16 0.00 0.48 0.00 0.00 55.95 56.76 1uh6 s SER 83 Cb -0.14 -1.23 -0.16 0.00 0.10 0.00 0.00 66.02 64.59 1uh6 s SER 83 CO 0.09 -1.14 1.28 -0.07 0.98 0.00 0.00 173.24 174.37 1uh6 h LEU 84 N -0.07 0.71 -0.43 2.42 4.07 -1.71 -2.78 115.31 117.53 1uh6 h LEU 84 Ca -0.44 -0.61 0.00 0.00 0.08 0.00 0.00 57.88 56.91 1uh6 h LEU 84 Cb 1.28 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 42.81 1uh6 h LEU 84 CO 0.57 1.20 0.00 0.61 -1.08 0.00 0.00 178.44 179.74 1uh6 n GLY 85 N 0.60 -0.89 0.14 0.83 0.00 -1.24 -1.18 105.19 103.45 1uh6 n GLY 85 Ca -0.07 0.04 -0.22 0.00 0.00 0.00 0.00 46.02 45.77 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 0.61 -0.13 1.61 5.19 -1.82 -3.29 116.42 118.59 1uh6 h ASP 86 Ca 0.00 -0.89 0.00 0.00 -0.62 0.00 0.00 57.03 55.52 1uh6 h ASP 86 Cb 0.15 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 39.46 1uh6 h ASP 86 CO 0.00 1.75 0.00 -1.22 -3.12 0.00 0.00 179.24 176.65 1uh6 n TYR 87 N -3.58 0.16 -1.21 4.55 4.01 -0.64 -4.87 117.16 115.58 1uh6 n TYR 87 Ca -0.23 -0.08 -0.07 0.00 -0.16 0.00 0.00 57.90 57.35 1uh6 n TYR 87 Cb 1.08 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 40.07 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 0.05 -1.15 -1.48 -0.72 1.02 -0.64 -4.89 120.64 112.83 1uh6 n GLU 88 Ca 0.15 0.68 -0.51 0.00 -0.02 0.00 0.00 57.16 57.46 1uh6 n GLU 88 Cb 0.26 -4.73 -0.05 0.00 -0.02 0.00 0.00 31.44 26.91 1uh6 n GLU 88 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1uh6 n ILE 89 N -2.47 1.14 -4.06 -3.67 5.41 -0.32 -4.95 119.36 110.43 1uh6 n ILE 89 Ca -0.07 -0.29 -0.22 0.00 1.00 0.00 0.00 62.75 63.17 1uh6 n ILE 89 Cb 0.40 -0.23 -0.05 0.00 -0.71 0.00 0.00 39.64 39.05 1uh6 n ILE 89 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 1uh6 s HIS 90 N -0.52 2.92 -0.50 1.39 3.76 -1.26 -4.79 115.29 116.29 1uh6 s HIS 90 Ca 0.74 -0.22 -0.28 0.00 -0.15 0.00 0.00 55.06 55.15 1uh6 s HIS 90 Cb -1.01 -1.50 -0.00 0.00 1.11 0.00 0.00 32.58 31.18 1uh6 s HIS 90 CO 0.56 0.42 1.59 0.34 -0.85 0.00 0.00 174.74 176.80 1uh6 s ASP 91 N -3.85 5.92 0.00 1.40 2.15 -1.26 -2.00 116.67 119.02 1uh6 s ASP 91 Ca 0.35 0.58 0.00 0.00 0.43 0.00 0.00 52.55 53.91 1uh6 s ASP 91 Cb -0.06 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.02 1uh6 s ASP 91 CO 0.24 -1.82 0.00 0.61 -0.17 0.00 0.00 175.17 174.03 1uh6 n GLY 92 N 5.37 1.25 3.48 2.66 0.00 0.49 -4.81 105.19 113.63 1uh6 n GLY 92 Ca 0.17 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.74 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 0.00 0.66 -3.66 1.61 1.56 -0.85 -4.27 117.12 112.17 1uh6 n MET 93 Ca 0.00 0.23 -0.39 0.00 -0.27 0.00 0.00 57.70 57.27 1uh6 n MET 93 Cb 0.00 -1.45 -0.11 0.00 2.15 0.00 0.00 33.22 33.81 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 -0.82 5.51 -0.25 6.12 0.01 -1.26 -0.63 114.94 123.62 1uh6 s ASN 94 Ca 0.62 -1.49 -0.11 0.00 -0.71 0.00 0.00 52.86 51.17 1uh6 s ASN 94 Cb -0.75 -1.94 -0.05 0.00 0.41 0.00 0.00 41.25 38.92 1uh6 s ASN 94 CO 0.58 -0.49 0.20 -0.76 -1.51 0.00 0.00 177.10 175.12 1uh6 s LEU 95 N 1.38 4.09 -0.15 0.60 2.01 -0.95 -4.86 118.68 120.80 1uh6 s LEU 95 Ca 0.02 0.12 -0.30 0.00 0.01 0.00 0.00 54.13 53.98 1uh6 s LEU 95 Cb -0.22 -2.16 -0.08 0.00 0.01 0.00 0.00 46.19 43.74 1uh6 s LEU 95 CO 0.01 0.01 2.12 -0.62 1.01 0.00 0.00 176.35 178.88 1uh6 n GLU 96 N 4.59 2.12 -3.08 1.70 1.02 0.28 -2.43 120.64 124.85 1uh6 n GLU 96 Ca -0.14 0.67 -0.40 0.00 -0.02 0.00 0.00 57.16 57.27 1uh6 n GLU 96 Cb 0.52 -3.02 -0.05 0.00 -0.02 0.00 0.00 31.44 28.86 1uh6 n GLU 96 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1uh6 s LEU 97 N 6.71 4.18 -0.02 -4.62 2.96 -0.72 -1.26 118.68 125.91 1uh6 s LEU 97 Ca 0.98 0.95 0.00 0.00 -0.22 0.00 0.00 54.13 55.83 1uh6 s LEU 97 Cb -0.46 -2.97 0.02 0.00 0.50 0.00 0.00 46.19 43.28 1uh6 s LEU 97 CO 0.41 -0.26 0.02 -0.31 -1.32 0.00 0.00 176.35 174.89 1uh6 s TYR 98 N 1.73 0.05 -0.11 5.38 2.02 0.06 -4.59 117.35 121.88 1uh6 s TYR 98 Ca 0.32 0.09 -0.15 0.00 -0.37 0.00 0.00 57.07 56.95 1uh6 s TYR 98 Cb -0.16 -0.20 -0.05 0.00 -0.40 0.00 0.00 41.96 41.15 1uh6 s TYR 98 CO 0.12 -0.07 0.38 0.71 -1.57 0.00 0.00 175.55 175.11 1uh6 s TYR 99 N 0.85 3.54 -2.00 2.71 2.02 -1.26 0.19 117.35 123.40 1uh6 s TYR 99 Ca -0.07 0.79 0.18 0.00 -0.37 0.00 0.00 57.07 57.60 1uh6 s TYR 99 Cb -0.10 -2.40 1.07 0.00 -0.40 0.00 0.00 41.96 40.13 1uh6 s TYR 99 CO -0.02 0.31 1.47 1.04 -1.57 0.00 0.00 175.55 176.78