#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3huz s PHE 12 N 0.00 3.42 -0.21 5.58 -0.12 -1.26 -5.01 117.98 120.38 3huz s PHE 12 Ca 0.00 1.00 0.21 0.00 -0.05 0.00 0.00 56.93 58.10 3huz s PHE 12 Cb 0.00 -2.37 0.42 0.00 -0.63 0.00 0.00 43.02 40.44 3huz s PHE 12 CO 0.00 0.13 1.62 0.00 -0.05 0.00 0.00 175.22 176.92 3huz h ARG 13 N 2.13 0.00 0.00 1.99 -0.00 -2.06 -3.48 114.38 112.96 3huz h ARG 13 Ca -0.47 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.01 3huz h ARG 13 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.15 3huz h ARG 13 CO 0.67 0.21 0.00 0.28 0.00 0.00 0.00 179.97 181.12 3huz n VAL 14 N -3.19 0.00 -2.71 2.04 0.31 -1.26 -4.71 118.33 108.82 3huz n VAL 14 Ca 0.02 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.25 3huz n VAL 14 Cb 0.57 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.49 3huz n VAL 14 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3huz n ARG 15 N 4.94 -2.64 0.16 5.55 5.12 -1.26 -4.66 116.66 123.86 3huz n ARG 15 Ca 0.00 0.32 0.03 0.00 -1.93 0.00 0.00 57.85 56.27 3huz n ARG 15 Cb 0.00 -4.89 0.21 0.00 -1.16 0.00 0.00 32.46 26.61 3huz n ARG 15 CO 0.00 0.00 0.00 -0.97 -1.93 0.00 0.00 177.63 174.73 3huz h ASN 16 N -0.19 0.00 0.00 0.55 -1.24 -1.86 -3.36 115.58 109.47 3huz h ASN 16 Ca -0.21 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.80 3huz h ASN 16 Cb 1.15 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.20 3huz h ASN 16 CO 0.26 0.48 0.00 -2.11 -1.29 0.00 0.00 177.43 174.77 3huz n ARG 17 N -3.46 0.00 -0.90 6.67 1.85 -1.26 -4.63 116.66 114.93 3huz n ARG 17 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 3huz n ARG 17 Cb 0.61 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 32.02 3huz n ARG 17 CO 0.00 0.00 0.00 1.51 -0.01 0.00 0.00 177.63 179.13 3huz n ILE 18 N 0.00 0.00 -1.92 8.89 0.00 -1.26 -3.50 119.36 121.58 3huz n ILE 18 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62.75 62.75 3huz n ILE 18 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39.64 39.64 3huz n ILE 18 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 3huz n LYS 19 N -0.25 0.00 -2.19 9.51 4.81 -1.26 -5.07 118.16 123.71 3huz n LYS 19 Ca 0.00 -0.04 -0.43 0.00 -0.87 0.00 0.00 58.31 56.98 3huz n LYS 19 Cb 0.00 -0.04 -0.02 0.00 0.02 0.00 0.00 35.03 34.98 3huz n LYS 19 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 3huz s ARG 20 N 0.00 4.13 0.00 1.64 1.81 -1.23 -4.82 118.95 120.48 3huz s ARG 20 Ca 0.00 1.89 0.00 0.00 -1.72 0.00 0.00 55.73 55.90 3huz s ARG 20 Cb 0.00 -3.91 0.00 0.00 -0.45 0.00 0.00 34.95 30.59 3huz s ARG 20 CO 0.00 -0.87 0.00 2.41 -0.68 0.00 0.00 175.30 176.16 3huz n THR 21 N 5.60 0.00 0.00 0.02 -1.04 -1.26 -4.78 114.28 112.83 3huz n THR 21 Ca 0.16 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.17 3huz n THR 21 Cb 0.44 -0.96 0.00 0.00 -1.82 0.00 0.00 70.33 67.99 3huz n THR 21 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3huz n GLY 22 N 2.74 0.00 1.59 3.41 0.00 -1.26 -4.89 105.19 106.79 3huz n GLY 22 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3huz n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3huz n ARG 23 N -0.67 -4.54 -1.77 1.61 1.74 -1.26 -4.84 116.66 106.92 3huz n ARG 23 Ca 0.00 3.40 -0.02 0.00 -0.77 0.00 0.00 57.85 60.46 3huz n ARG 23 Cb 0.00 -3.86 0.00 0.00 -1.02 0.00 0.00 32.46 27.58 3huz n ARG 23 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3huz n LEU 24 N -1.05 -3.21 -4.70 0.55 7.99 -1.24 -4.35 117.00 110.99 3huz n LEU 24 Ca 0.00 0.11 -0.42 0.00 -0.01 0.00 0.00 56.01 55.69 3huz n LEU 24 Cb 0.04 -1.49 -0.03 0.00 -0.11 0.00 0.00 43.42 41.84 3huz n LEU 24 CO 0.00 -0.48 1.06 -0.13 -1.51 0.00 0.00 177.39 176.33 3huz s ARG 25 N -1.35 4.32 -0.99 3.23 0.52 -1.05 -2.62 118.95 121.02 3huz s ARG 25 Ca 0.05 1.98 -0.02 0.00 -0.52 0.00 0.00 55.73 57.22 3huz s ARG 25 Cb -0.01 -3.41 0.26 0.00 0.52 0.00 0.00 34.95 32.31 3huz s ARG 25 CO 0.16 -0.47 2.09 -0.11 0.02 0.00 0.00 175.30 176.98 3huz n LEU 26 N 4.58 7.46 -4.74 2.53 0.00 0.96 -2.92 117.00 124.88 3huz n LEU 26 Ca 0.12 -5.03 -0.41 0.00 0.00 0.00 0.00 56.01 50.69 3huz n LEU 26 Cb 0.43 -1.19 -0.03 0.00 0.00 0.00 0.00 43.42 42.63 3huz n LEU 26 CO 0.58 1.96 0.87 -0.55 0.00 0.00 0.00 177.39 180.25 3huz s SER 27 N -0.76 7.11 0.00 1.96 0.15 -1.24 -3.35 113.70 117.58 3huz s SER 27 Ca 0.47 2.19 0.00 0.00 0.70 0.00 0.00 55.95 59.31 3huz s SER 27 Cb 0.26 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.97 3huz s SER 27 CO -0.20 -0.36 0.00 0.52 1.20 0.00 0.00 173.24 174.40 3huz n VAL 28 N 2.63 0.00 -3.37 4.45 0.31 -1.26 -2.99 118.33 118.10 3huz n VAL 28 Ca 0.05 0.00 0.02 0.00 -0.01 0.00 0.00 64.34 64.39 3huz n VAL 28 Cb 0.45 -0.74 -0.03 0.00 -0.91 0.00 0.00 33.84 32.62 3huz n VAL 28 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 3huz s PHE 29 N 1.66 -1.32 -0.95 3.52 5.99 -1.06 -4.74 117.98 121.09 3huz s PHE 29 Ca 0.00 1.81 -0.17 0.00 0.00 0.00 0.00 56.93 58.57 3huz s PHE 29 Cb 0.00 0.62 0.16 0.00 0.00 0.00 0.00 43.02 43.80 3huz s PHE 29 CO 0.00 -0.69 1.08 0.50 -0.00 0.00 0.00 175.22 176.11 3huz s ARG 30 N 2.84 3.68 0.40 10.12 6.06 -1.26 -3.51 118.95 137.28 3huz s ARG 30 Ca 0.06 -2.07 -0.07 0.00 -2.50 0.00 0.00 55.73 51.16 3huz s ARG 30 Cb -0.12 -4.81 -0.05 0.00 0.06 0.00 0.00 34.95 30.02 3huz s ARG 30 CO -0.19 -1.65 0.71 0.45 -2.50 0.00 0.00 175.30 172.13 3huz s SER 31 N 3.13 6.40 0.39 -2.12 0.15 -1.11 -4.96 113.70 115.58 3huz s SER 31 Ca 0.31 0.92 0.28 0.00 0.70 0.00 0.00 55.95 58.16 3huz s SER 31 Cb -0.06 -2.24 1.34 0.00 -1.71 0.00 0.00 66.02 63.35 3huz s SER 31 CO -0.08 -0.41 1.85 -0.07 1.20 0.00 0.00 173.24 175.72 3huz h LEU 32 N 0.94 0.00 0.00 3.45 3.38 -2.06 -3.31 115.31 117.70 3huz h LEU 32 Ca -0.47 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.38 3huz h LEU 32 Cb 1.20 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.93 3huz h LEU 32 CO 0.63 0.00 -1.41 0.29 0.09 0.00 0.00 178.44 178.04 3huz n LYS 33 N -2.52 0.17 -1.15 1.13 4.76 -1.26 -5.10 118.16 114.18 3huz n LYS 33 Ca -0.00 0.06 0.00 0.00 -2.87 0.00 0.00 58.31 55.49 3huz n LYS 33 Cb 0.15 -0.95 0.00 0.00 -1.84 0.00 0.00 35.03 32.40 3huz n LYS 33 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 3huz n HIS 34 N -3.03 0.00 -3.21 2.13 8.25 -1.25 -4.80 115.22 113.31 3huz n HIS 34 Ca -0.14 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.32 3huz n HIS 34 Cb 0.62 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.70 3huz n HIS 34 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 3huz s ILE 35 N -0.26 -0.88 0.35 1.59 2.07 -1.26 -2.74 121.20 120.08 3huz s ILE 35 Ca 0.00 -0.07 0.01 0.00 -1.41 0.00 0.00 60.65 59.18 3huz s ILE 35 Cb 0.00 -0.98 -0.03 0.00 0.13 0.00 0.00 42.46 41.59 3huz s ILE 35 CO 0.00 -0.08 0.54 -0.31 -1.91 0.00 0.00 174.94 173.19 3huz s TYR 36 N 2.74 3.45 -0.34 3.50 1.51 -1.23 -0.96 117.35 126.02 3huz s TYR 36 Ca 0.13 0.28 0.04 0.00 -1.01 0.00 0.00 57.07 56.50 3huz s TYR 36 Cb -0.12 -1.92 0.16 0.00 -0.11 0.00 0.00 41.96 39.97 3huz s TYR 36 CO -0.24 0.09 0.44 0.00 -1.11 0.00 0.00 175.55 174.72 3huz s ALA 37 N -2.31 -1.14 0.08 3.71 0.00 -1.09 -2.57 121.76 118.44 3huz s ALA 37 Ca 0.41 -0.24 0.01 0.00 0.00 0.00 0.00 51.96 52.14 3huz s ALA 37 Cb -0.10 -2.20 -0.04 0.00 0.00 0.00 0.00 23.12 20.79 3huz s ALA 37 CO 0.35 -1.99 0.17 1.14 0.00 0.00 0.00 175.76 175.44 3huz s GLN 38 N 1.99 3.25 -0.29 0.00 -2.07 -1.16 -1.32 119.66 120.06 3huz s GLN 38 Ca 0.14 -0.54 -0.08 0.00 -1.82 0.00 0.00 55.36 53.05 3huz s GLN 38 Cb -0.12 -2.93 -0.01 0.00 -1.09 0.00 0.00 33.01 28.87 3huz s GLN 38 CO -0.16 0.59 0.12 0.42 -1.32 0.00 0.00 175.29 174.94 3huz s ILE 39 N -1.50 4.40 -0.15 3.63 -1.09 0.50 -3.64 121.20 123.36 3huz s ILE 39 Ca 0.33 -0.43 -0.00 0.00 -2.23 0.00 0.00 60.65 58.32 3huz s ILE 39 Cb -0.13 -3.21 -0.01 0.00 -1.58 0.00 0.00 42.46 37.54 3huz s ILE 39 CO 0.26 0.13 -0.13 -0.63 -1.23 0.00 0.00 174.94 173.34 3huz s ILE 40 N 1.59 2.91 -0.56 2.92 1.01 -1.15 -0.89 121.20 127.03 3huz s ILE 40 Ca 0.05 -0.70 -0.13 0.00 0.00 0.00 0.00 60.65 59.87 3huz s ILE 40 Cb -0.17 -2.23 0.14 0.00 0.01 0.00 0.00 42.46 40.21 3huz s ILE 40 CO 0.05 0.51 0.48 -0.62 0.00 0.00 0.00 174.94 175.36 3huz s ASP 41 N 0.63 6.05 1.29 3.58 2.15 -0.94 -2.51 116.67 126.92 3huz s ASP 41 Ca -0.07 -1.99 -0.21 0.00 0.43 0.00 0.00 52.55 50.70 3huz s ASP 41 Cb -0.16 -2.12 0.32 0.00 -0.30 0.00 0.00 42.92 40.66 3huz s ASP 41 CO 0.03 -0.74 1.06 -1.81 -0.17 0.00 0.00 175.17 173.53 3huz s ASP 42 N 2.96 0.13 -1.34 -0.34 1.11 -1.26 -0.36 116.67 117.56 3huz s ASP 42 Ca 0.06 0.64 -0.08 0.00 0.18 0.00 0.00 52.55 53.36 3huz s ASP 42 Cb -0.26 -0.87 0.01 0.00 1.07 0.00 0.00 42.92 42.88 3huz s ASP 42 CO -0.00 -4.61 1.13 -0.62 1.18 0.00 0.00 175.17 172.25 3huz n GLU 43 N -5.09 -7.54 0.00 8.23 -0.58 -1.26 -4.19 120.64 110.20 3huz n GLU 43 Ca 0.14 0.81 0.00 0.00 -0.42 0.00 0.00 57.16 57.69 3huz n GLU 43 Cb 0.60 -5.85 0.00 0.00 -0.57 0.00 0.00 31.44 25.62 3huz n GLU 43 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 3huz n LYS 44 N -4.82 0.00 0.00 3.49 4.81 -1.23 -5.01 118.16 115.39 3huz n LYS 44 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.39 3huz n LYS 44 Cb 0.58 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.63 3huz n LYS 44 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3huz n GLY 45 N 0.00 2.17 3.62 3.14 0.00 0.51 -4.98 105.19 109.66 3huz n GLY 45 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 3huz n GLY 45 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3huz n VAL 46 N -1.28 3.49 -3.91 1.61 0.31 -1.24 -4.69 118.33 112.62 3huz n VAL 46 Ca 0.00 -0.50 -0.35 0.00 -0.01 0.00 0.00 64.34 63.48 3huz n VAL 46 Cb 0.00 -1.19 -0.14 0.00 -0.91 0.00 0.00 33.84 31.60 3huz n VAL 46 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3huz s THR 47 N -1.46 3.20 -0.59 2.52 2.01 -1.26 -2.21 115.64 117.85 3huz s THR 47 Ca 0.73 -0.86 0.25 0.00 0.31 0.00 0.00 61.69 62.11 3huz s THR 47 Cb -0.44 -2.60 0.25 0.00 0.01 0.00 0.00 72.50 69.72 3huz s THR 47 CO 0.49 0.21 1.60 -0.07 -0.69 0.00 0.00 174.62 176.16 3huz h LEU 48 N 8.08 0.00 -7.25 4.42 4.07 -1.39 -3.48 115.31 119.76 3huz h LEU 48 Ca -0.34 -0.03 -0.06 0.00 0.08 0.00 0.00 57.88 57.53 3huz h LEU 48 Cb 1.12 0.00 -0.16 0.00 1.08 0.00 0.00 40.66 42.71 3huz h LEU 48 CO 0.59 0.02 0.00 -0.69 -1.08 0.00 0.00 178.44 177.28 3huz s VAL 49 N -3.16 0.04 -0.30 1.22 1.01 -1.23 -4.97 120.40 113.01 3huz s VAL 49 Ca 0.08 -0.32 0.05 0.00 0.00 0.00 0.00 61.98 61.79 3huz s VAL 49 Cb 0.10 -1.00 0.19 0.00 0.00 0.00 0.00 36.38 35.67 3huz s VAL 49 CO 0.65 -0.18 0.54 -0.94 0.00 0.00 0.00 175.10 175.17 3huz s SER 50 N -2.14 -1.02 -1.11 3.32 1.04 -1.26 -0.37 113.70 112.16 3huz s SER 50 Ca -0.04 -0.05 -0.09 0.00 0.48 0.00 0.00 55.95 56.26 3huz s SER 50 Cb -0.00 1.75 0.28 0.00 0.10 0.00 0.00 66.02 68.14 3huz s SER 50 CO -0.04 -0.31 1.11 0.00 0.98 0.00 0.00 173.24 174.98 3huz s ALA 51 N 2.68 4.74 0.48 5.32 0.00 -0.43 -4.92 121.76 129.63 3huz s ALA 51 Ca 0.10 -3.85 -0.22 0.00 0.00 0.00 0.00 51.96 47.99 3huz s ALA 51 Cb -0.10 -3.55 -0.07 0.00 0.00 0.00 0.00 23.12 19.40 3huz s ALA 51 CO -0.26 -2.20 1.18 -1.54 0.00 0.00 0.00 175.76 172.94 3huz s SER 52 N 1.28 6.02 0.00 0.00 1.04 -1.26 -2.66 113.70 118.12 3huz s SER 52 Ca 0.31 2.35 0.00 0.00 0.48 0.00 0.00 55.95 59.08 3huz s SER 52 Cb -0.10 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.42 3huz s SER 52 CO -0.08 -1.02 0.00 -0.24 0.98 0.00 0.00 173.24 172.88 3huz n SER 53 N -0.62 0.00 0.16 7.02 2.88 -0.13 -4.05 113.62 118.88 3huz n SER 53 Ca 0.08 0.00 0.18 0.00 -1.33 0.00 0.00 58.87 57.80 3huz n SER 53 Cb 0.48 0.00 0.73 0.00 -0.75 0.00 0.00 64.21 64.67 3huz n SER 53 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 3huz h LEU 54 N 0.00 0.00 -2.37 2.46 -0.00 -1.85 0.46 115.31 114.02 3huz h LEU 54 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 3huz h LEU 54 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 3huz h LEU 54 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 178.44 178.44 3huz n ALA 55 N -2.16 2.91 -1.94 1.53 0.00 -1.26 -0.92 120.51 118.67 3huz n ALA 55 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3huz n ALA 55 Cb 0.61 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 19.03 3huz n ALA 55 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3huz n LEU 56 N 0.88 0.00 0.00 0.00 0.00 0.16 -4.81 117.00 113.23 3huz n LEU 56 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 56.01 55.85 3huz n LEU 56 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.89 3huz n LEU 56 CO 0.00 0.32 0.00 1.17 0.00 0.00 0.00 177.39 178.88 3huz n LYS 57 N 0.00 0.00 -1.13 1.96 4.81 -0.10 -5.06 118.16 118.64 3huz n LYS 57 Ca 0.00 0.00 0.05 0.00 -0.87 0.00 0.00 58.31 57.49 3huz n LYS 57 Cb 0.34 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.36 3huz n LYS 57 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 3huz n LEU 58 N 0.00 -0.68 0.00 3.14 7.94 -1.26 -4.12 117.00 122.02 3huz n LEU 58 Ca 0.00 1.36 0.00 0.00 -1.11 0.00 0.00 56.01 56.26 3huz n LEU 58 Cb 0.00 -2.35 0.00 0.00 0.53 0.00 0.00 43.42 41.60 3huz n LEU 58 CO 0.00 -0.82 0.00 0.29 -1.11 0.00 0.00 177.39 175.75 3huz n LYS 59 N -3.13 1.65 -1.42 1.96 5.02 -1.26 -4.91 118.16 116.06 3huz n LYS 59 Ca -0.03 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.29 3huz n LYS 59 Cb 0.31 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.34 3huz n LYS 59 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3huz n GLY 60 N 0.00 0.95 0.12 0.72 0.00 -1.26 -4.88 105.19 100.84 3huz n GLY 60 Ca 0.00 -0.75 -0.21 0.00 0.00 0.00 0.00 46.02 45.06 3huz n GLY 60 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 3huz h ASN 61 N 0.89 0.29 0.00 1.61 -0.73 -1.97 -3.50 115.58 112.16 3huz h ASN 61 Ca -0.24 -0.80 0.00 0.00 1.87 0.00 0.00 56.30 57.12 3huz h ASN 61 Cb 1.84 -0.09 0.00 0.00 0.27 0.00 0.00 38.32 40.34 3huz h ASN 61 CO 0.07 1.58 0.00 1.17 -0.37 0.00 0.00 177.43 179.88 3huz n LYS 62 N -4.02 0.00 0.44 6.67 4.81 -1.26 -4.76 118.16 120.04 3huz n LYS 62 Ca -0.26 0.00 -0.17 0.00 -0.87 0.00 0.00 58.31 57.00 3huz n LYS 62 Cb 0.85 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 35.82 3huz n LYS 62 CO 0.00 0.00 0.00 1.79 1.17 0.00 0.00 177.40 180.36 3huz h THR 63 N 0.00 0.00 -1.07 3.15 1.35 -1.97 -2.40 112.91 111.97 3huz h THR 63 Ca 0.00 0.00 0.29 0.00 -0.55 0.00 0.00 66.41 66.15 3huz h THR 63 Cb 0.00 0.00 -0.07 0.00 -1.73 0.00 0.00 68.15 66.35 3huz h THR 63 CO 0.00 0.00 0.73 -0.08 -0.25 0.00 0.00 175.52 175.92 3huz h GLU 64 N -1.13 0.22 0.84 4.72 4.81 -1.96 0.12 114.58 122.21 3huz h GLU 64 Ca -0.11 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.06 3huz h GLU 64 Cb 0.87 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.20 3huz h GLU 64 CO 0.18 0.14 -0.46 0.28 -0.73 0.00 0.00 179.01 178.43 3huz h VAL 65 N 0.22 0.08 -0.87 0.32 2.07 -1.82 -2.75 116.25 113.50 3huz h VAL 65 Ca 0.57 0.00 0.23 0.00 0.82 0.00 0.00 66.70 68.32 3huz h VAL 65 Cb 1.78 0.08 -0.14 0.00 -1.52 0.00 0.00 31.29 31.48 3huz h VAL 65 CO -0.17 0.00 0.18 0.00 0.02 0.00 0.00 177.57 177.60 3huz h ALA 66 N -1.09 1.19 -0.96 1.67 0.00 -0.49 -0.72 119.26 118.85 3huz h ALA 66 Ca -0.11 0.24 0.25 0.00 0.00 0.00 0.00 54.91 55.28 3huz h ALA 66 Cb 0.94 0.36 -0.18 0.00 0.00 0.00 0.00 17.79 18.91 3huz h ALA 66 CO 0.15 -0.47 -0.02 0.00 0.00 0.00 0.00 179.25 178.92 3huz h ARG 67 N 0.17 0.02 -0.03 0.00 3.08 -1.15 0.06 114.38 116.53 3huz h ARG 67 Ca 0.54 -0.00 -0.16 0.00 0.07 0.00 0.00 59.98 60.43 3huz h ARG 67 Cb 1.07 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.10 3huz h ARG 67 CO -0.68 0.01 -0.70 1.96 -1.07 0.00 0.00 179.97 179.49 3huz h GLN 68 N 0.02 0.14 0.00 0.04 4.20 -1.19 -3.11 115.11 115.22 3huz h GLN 68 Ca 0.56 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 59.14 3huz h GLN 68 Cb 1.10 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.90 3huz h GLN 68 CO -0.91 0.78 -0.05 -0.24 -0.67 0.00 0.00 178.83 177.75 3huz h VAL 69 N 0.10 0.90 -0.07 -0.54 3.04 -0.96 -1.20 116.25 117.51 3huz h VAL 69 Ca -0.02 -0.16 -0.05 0.00 -1.01 0.00 0.00 66.70 65.47 3huz h VAL 69 Cb 1.24 1.09 0.00 0.00 -2.01 0.00 0.00 31.29 31.61 3huz h VAL 69 CO 0.10 0.04 -0.13 1.23 -1.01 0.00 0.00 177.57 177.80 3huz h GLY 70 N 0.17 0.24 1.33 3.17 0.00 -1.45 0.30 103.07 106.82 3huz h GLY 70 Ca -0.00 -0.27 0.07 0.00 0.00 0.00 0.00 47.33 47.12 3huz h GLY 70 CO 0.01 0.25 0.27 3.21 0.00 0.00 0.00 176.54 180.27 3huz h ARG 71 N -0.26 0.00 0.29 4.80 3.08 -1.39 1.09 114.38 121.98 3huz h ARG 71 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 3huz h ARG 71 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.76 3huz h ARG 71 CO 0.03 0.00 -0.14 0.00 -1.07 0.00 0.00 179.97 178.79 3huz h ALA 72 N 1.67 -0.38 -0.68 0.04 0.00 -0.55 -2.48 119.26 116.87 3huz h ALA 72 Ca 0.11 -0.16 0.13 0.00 0.00 0.00 0.00 54.91 54.99 3huz h ALA 72 Cb 0.65 0.15 -0.13 0.00 0.00 0.00 0.00 17.79 18.46 3huz h ALA 72 CO -0.00 -0.40 -0.24 1.25 0.00 0.00 0.00 179.25 179.86 3huz h LEU 73 N -1.02 -0.86 0.06 0.00 6.46 0.37 -0.46 115.31 119.86 3huz h LEU 73 Ca -0.04 0.22 0.02 0.00 -0.12 0.00 0.00 57.88 57.97 3huz h LEU 73 Cb 0.45 0.50 -0.05 0.00 -0.73 0.00 0.00 40.66 40.82 3huz h LEU 73 CO 0.06 -0.26 -0.47 0.00 -0.62 0.00 0.00 178.44 177.15 3huz h ALA 74 N 1.46 -0.81 0.01 1.25 0.00 0.90 0.16 119.26 122.22 3huz h ALA 74 Ca 0.31 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 3huz h ALA 74 Cb 0.54 0.81 -0.00 0.00 0.00 0.00 0.00 17.79 19.14 3huz h ALA 74 CO -0.73 -1.03 -0.01 0.93 0.00 0.00 0.00 179.25 178.41 3huz h GLU 75 N -0.66 -0.01 -0.89 0.00 5.08 -0.87 0.38 114.58 117.61 3huz h GLU 75 Ca 0.02 0.00 0.37 0.00 -1.00 0.00 0.00 59.36 58.75 3huz h GLU 75 Cb 0.70 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 29.80 3huz h GLU 75 CO -0.30 -0.01 0.47 1.63 -1.00 0.00 0.00 179.01 179.80 3huz n LYS 76 N -2.13 -0.05 -0.06 2.33 4.76 -0.26 -1.68 118.16 121.07 3huz n LYS 76 Ca -0.00 1.23 -0.07 0.00 -2.87 0.00 0.00 58.31 56.59 3huz n LYS 76 Cb 0.01 -2.20 -0.07 0.00 -1.84 0.00 0.00 35.03 30.93 3huz n LYS 76 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3huz h ALA 77 N 1.77 -0.00 -0.92 7.82 0.00 -0.43 -3.37 119.26 124.14 3huz h ALA 77 Ca 0.75 -0.26 0.16 0.00 0.00 0.00 0.00 54.91 55.56 3huz h ALA 77 Cb 1.97 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 19.67 3huz h ALA 77 CO -0.69 -0.00 0.52 -0.07 0.00 0.00 0.00 179.25 179.01 3huz h LEU 78 N -1.00 0.66 0.00 0.00 4.07 0.69 0.49 115.31 120.22 3huz h LEU 78 Ca -0.00 0.09 0.00 0.00 0.08 0.00 0.00 57.88 58.05 3huz h LEU 78 Cb 0.52 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.23 3huz h LEU 78 CO 0.00 0.27 0.00 0.00 -1.08 0.00 0.00 178.44 177.63 3huz n ALA 79 N -2.38 1.82 0.19 1.53 0.00 -0.79 -0.02 120.51 120.86 3huz n ALA 79 Ca 0.19 -0.05 0.02 0.00 0.00 0.00 0.00 53.44 53.61 3huz n ALA 79 Cb 0.47 -1.13 0.01 0.00 0.00 0.00 0.00 19.45 18.80 3huz n ALA 79 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3huz n LEU 80 N -0.96 1.02 0.00 0.00 4.32 0.17 -5.01 117.00 116.54 3huz n LEU 80 Ca 0.06 -0.85 0.00 0.00 -0.02 0.00 0.00 56.01 55.20 3huz n LEU 80 Cb 0.03 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.83 3huz n LEU 80 CO 0.05 0.22 0.00 0.61 -1.22 0.00 0.00 177.39 177.05 3huz n GLY 81 N 0.51 2.92 3.52 -0.72 0.00 0.97 -5.03 105.19 107.37 3huz n GLY 81 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 3huz n GLY 81 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3huz n ILE 82 N -0.49 0.05 0.00 -0.61 2.08 -1.19 -4.86 119.36 114.33 3huz n ILE 82 Ca 0.00 -0.48 0.00 0.00 0.56 0.00 0.00 62.75 62.83 3huz n ILE 82 Cb 0.00 -2.05 0.00 0.00 -0.75 0.00 0.00 39.64 36.84 3huz n ILE 82 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28 3huz n LYS 83 N 8.68 0.00 -2.96 0.38 4.81 -1.26 -3.93 118.16 123.89 3huz n LYS 83 Ca 0.43 0.00 -0.40 0.00 -0.87 0.00 0.00 58.31 57.46 3huz n LYS 83 Cb 0.36 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.37 3huz n LYS 83 CO 0.00 0.00 0.00 1.14 1.17 0.00 0.00 177.40 179.71 3huz s GLN 84 N 0.00 4.42 0.00 1.64 1.03 -1.25 -3.99 119.66 121.52 3huz s GLN 84 Ca 0.00 1.00 0.00 0.00 0.04 0.00 0.00 55.36 56.40 3huz s GLN 84 Cb 0.00 -3.48 0.00 0.00 0.03 0.00 0.00 33.01 29.56 3huz s GLN 84 CO 0.00 -0.04 0.00 1.33 -2.54 0.00 0.00 175.29 174.04 3huz n VAL 85 N 4.02 0.00 -3.63 3.63 0.24 -1.26 -4.97 118.33 116.36 3huz n VAL 85 Ca 0.01 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.19 3huz n VAL 85 Cb 0.51 0.00 -0.07 0.00 -1.47 0.00 0.00 33.84 32.81 3huz n VAL 85 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3huz s ALA 86 N -2.00 -1.85 0.16 2.33 0.00 -1.08 -4.95 121.76 114.37 3huz s ALA 86 Ca 0.00 2.00 -0.30 0.00 0.00 0.00 0.00 51.96 53.66 3huz s ALA 86 Cb 0.00 -1.28 -0.07 0.00 0.00 0.00 0.00 23.12 21.77 3huz s ALA 86 CO 0.00 -0.31 0.98 0.12 0.00 0.00 0.00 175.76 176.56 3huz s PHE 87 N 0.39 3.81 0.00 0.00 5.36 -1.26 -0.03 117.98 126.26 3huz s PHE 87 Ca 0.01 1.79 0.00 0.00 -0.96 0.00 0.00 56.93 57.77 3huz s PHE 87 Cb -0.05 -3.08 0.00 0.00 -0.34 0.00 0.00 43.02 39.55 3huz s PHE 87 CO -0.02 0.11 0.00 -3.47 -1.46 0.00 0.00 175.22 170.38 3huz n ASP 88 N 2.36 0.00 -0.98 6.13 4.64 -1.21 -4.81 116.55 122.67 3huz n ASP 88 Ca 0.01 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.42 3huz n ASP 88 Cb 0.48 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.56 3huz n ASP 88 CO 0.00 0.00 0.00 -1.14 -0.82 0.00 0.00 177.20 175.24 3huz n ARG 89 N 0.00 -1.74 0.00 -0.67 0.00 -1.26 -4.84 116.66 108.15 3huz n ARG 89 Ca 0.00 1.57 0.00 0.00 -0.00 0.00 0.00 57.85 59.42 3huz n ARG 89 Cb 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 32.46 31.14 3huz n ARG 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3huz n GLY 90 N 0.58 -0.37 0.00 5.14 0.00 -1.26 -3.47 105.19 105.81 3huz n GLY 90 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 3huz n GLY 90 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3huz n PRO 91 N 0.00 0.00 0.00 1.61 -0.02 -1.26 -4.23 135.00 131.10 3huz n PRO 91 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3huz n PRO 91 Cb 0.00 -1.11 0.00 0.00 -0.02 0.00 0.00 33.50 32.37 3huz n PRO 91 CO 0.00 0.00 0.00 2.48 1.98 0.00 0.00 175.50 179.96 3huz n TYR 92 N -0.57 0.00 -3.38 6.00 4.11 -1.23 -4.76 117.16 117.33 3huz n TYR 92 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 57.90 57.74 3huz n TYR 92 Cb 0.00 -0.29 0.01 0.00 -0.00 0.00 0.00 39.34 39.06 3huz n TYR 92 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.86 178.03 3huz n LYS 93 N -2.28 -1.62 -1.33 -3.48 3.00 -1.26 -4.41 118.16 106.78 3huz n LYS 93 Ca 0.00 1.27 -0.28 0.00 -0.00 0.00 0.00 58.31 59.30 3huz n LYS 93 Cb 0.00 -3.89 -0.17 0.00 0.00 0.00 0.00 35.03 30.97 3huz n LYS 93 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.40 178.38 3huz n TYR 94 N -1.72 0.26 -3.61 5.64 9.36 -1.26 -4.73 117.16 121.09 3huz n TYR 94 Ca -0.12 0.17 -0.05 0.00 3.32 0.00 0.00 57.90 61.22 3huz n TYR 94 Cb 0.60 -1.31 -0.04 0.00 -0.63 0.00 0.00 39.34 37.96 3huz n TYR 94 CO 0.00 0.00 0.00 -1.58 0.22 0.00 0.00 176.86 175.50 3huz s HIS 95 N 4.14 -0.15 0.00 2.98 2.46 -1.26 -5.10 115.29 118.35 3huz s HIS 95 Ca 1.19 0.22 0.00 0.00 0.47 0.00 0.00 55.06 56.94 3huz s HIS 95 Cb -0.94 0.49 0.00 0.00 -0.13 0.00 0.00 32.58 32.00 3huz s HIS 95 CO 0.47 -0.16 0.00 0.41 -2.47 0.00 0.00 174.74 172.99 3huz n GLY 96 N 0.42 2.84 1.76 1.59 0.00 -1.26 -4.42 105.19 106.12 3huz n GLY 96 Ca -0.03 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.92 3huz n GLY 96 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3huz n ARG 97 N 9.34 0.00 -1.68 1.61 -4.01 -1.26 -4.81 116.66 115.85 3huz n ARG 97 Ca 0.00 0.00 -0.47 0.00 -1.04 0.00 0.00 57.85 56.34 3huz n ARG 97 Cb 0.00 -0.65 -0.04 0.00 -3.04 0.00 0.00 32.46 28.72 3huz n ARG 97 CO 0.00 0.00 0.00 1.55 -3.04 0.00 0.00 177.63 176.14 3huz n VAL 98 N 0.92 0.53 -0.85 8.89 3.14 -1.26 -4.80 118.33 124.90 3huz n VAL 98 Ca 0.00 -0.10 -0.10 0.00 -2.96 0.00 0.00 64.34 61.19 3huz n VAL 98 Cb 0.00 -1.88 -0.05 0.00 -1.06 0.00 0.00 33.84 30.84 3huz n VAL 98 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 3huz n LYS 99 N 6.35 1.62 -0.54 1.45 4.76 -1.26 -4.39 118.16 126.15 3huz n LYS 99 Ca 0.22 -0.87 -0.05 0.00 -2.87 0.00 0.00 58.31 54.73 3huz n LYS 99 Cb 0.31 -1.56 -0.07 0.00 -1.84 0.00 0.00 35.03 31.87 3huz n LYS 99 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3huz n ALA 100 N 1.52 4.03 -0.72 7.82 0.00 -1.26 -4.89 120.51 127.01 3huz n ALA 100 Ca 0.25 -0.79 -0.32 0.00 0.00 0.00 0.00 53.44 52.58 3huz n ALA 100 Cb 0.65 -1.98 0.15 0.00 0.00 0.00 0.00 19.45 18.27 3huz n ALA 100 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 3huz n LEU 101 N 2.34 -0.61 0.00 0.00 -0.00 -1.26 -4.95 117.00 112.51 3huz n LEU 101 Ca 0.18 0.16 0.00 0.00 -0.00 0.00 0.00 56.01 56.36 3huz n LEU 101 Cb 0.50 -1.16 0.00 0.00 -0.00 0.00 0.00 43.42 42.76 3huz n LEU 101 CO 0.11 -3.30 0.09 0.00 -0.00 0.00 0.00 177.39 174.29 3huz n ALA 102 N -4.02 0.00 0.00 1.47 0.00 -1.26 -4.18 120.51 112.52 3huz n ALA 102 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3huz n ALA 102 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 3huz n ALA 102 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3huz n GLU 103 N -0.38 0.00 -1.14 0.00 -0.58 -1.26 -4.64 120.64 112.64 3huz n GLU 103 Ca 0.00 0.00 -0.43 0.00 -0.42 0.00 0.00 57.16 56.31 3huz n GLU 103 Cb 0.00 -0.83 -0.05 0.00 -0.57 0.00 0.00 31.44 29.99 3huz n GLU 103 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3huz n GLY 104 N 0.34 2.61 1.22 0.62 0.00 -1.26 -4.74 105.19 103.99 3huz n GLY 104 Ca 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.75 3huz n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3huz n ALA 105 N 7.35 1.86 -0.01 4.61 0.00 -1.26 -1.56 120.51 131.50 3huz n ALA 105 Ca 0.49 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.94 3huz n ALA 105 Cb 0.39 -1.19 -0.04 0.00 0.00 0.00 0.00 19.45 18.62 3huz n ALA 105 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3huz n ARG 106 N 1.12 1.32 0.00 0.00 0.00 -1.26 -3.75 116.66 114.10 3huz n ARG 106 Ca 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 57.85 57.82 3huz n ARG 106 Cb 0.13 -1.13 0.00 0.00 0.00 0.00 0.00 32.46 31.47 3huz n ARG 106 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 3huz n GLU 107 N -1.87 0.00 0.00 -0.14 4.07 -0.60 -4.72 120.64 117.38 3huz n GLU 107 Ca -0.04 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.06 3huz n GLU 107 Cb 0.34 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.72 3huz n GLU 107 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3huz n GLY 108 N 0.98 1.67 0.00 8.31 0.00 -1.26 -4.89 105.19 110.00 3huz n GLY 108 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3huz n GLY 108 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93