#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1z9f n MET 1 N 0.00 0.00 0.00 -1.40 0.00 -1.26 -5.01 117.12 109.45 1z9f n MET 1 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 1z9f n MET 1 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 1z9f n MET 1 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1z9f n SER 2 N 0.00 0.00 -4.11 6.12 2.88 -1.26 -5.11 113.62 112.15 1z9f n SER 2 Ca 0.00 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.44 1z9f n SER 2 Cb 0.00 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.37 1z9f n SER 2 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 1z9f s PHE 3 N -2.00 0.80 -0.24 0.66 0.08 -1.26 -5.18 117.98 110.84 1z9f s PHE 3 Ca 0.00 -1.12 -0.26 0.00 0.12 0.00 0.00 56.93 55.67 1z9f s PHE 3 Cb 0.00 -0.35 0.09 0.00 -0.57 0.00 0.00 43.02 42.19 1z9f s PHE 3 CO 0.00 -0.64 0.84 0.12 -0.10 0.00 0.00 175.22 175.44 1z9f s PHE 4 N -4.06 -0.64 -0.25 0.36 5.36 -1.26 -5.14 117.98 112.35 1z9f s PHE 4 Ca 0.27 1.49 -0.02 0.00 -0.96 0.00 0.00 56.93 57.71 1z9f s PHE 4 Cb 0.06 0.33 0.14 0.00 -0.34 0.00 0.00 43.02 43.20 1z9f s PHE 4 CO 0.05 -0.35 0.37 1.21 -1.46 0.00 0.00 175.22 175.04 1z9f s ASN 5 N 0.05 0.36 -0.03 6.13 3.84 -1.26 -5.13 114.94 118.90 1z9f s ASN 5 Ca -0.00 0.08 -0.00 0.00 0.21 0.00 0.00 52.86 53.15 1z9f s ASN 5 Cb -0.04 1.07 0.03 0.00 -0.55 0.00 0.00 41.25 41.75 1z9f s ASN 5 CO -0.00 -0.31 0.02 -0.75 -2.79 0.00 0.00 177.10 173.27 1z9f s LYS 6 N 2.53 0.10 -0.04 0.43 2.47 -1.26 -4.61 119.74 119.36 1z9f s LYS 6 Ca 0.12 0.17 0.04 0.00 -1.56 0.00 0.00 55.97 54.74 1z9f s LYS 6 Cb -0.15 -0.40 -0.00 0.00 -1.46 0.00 0.00 37.83 35.82 1z9f s LYS 6 CO -0.19 -0.19 -0.15 -1.50 0.16 0.00 0.00 175.35 173.48 1z9f s ILE 7 N 1.25 1.29 -0.11 5.43 2.07 0.54 -4.90 121.20 126.77 1z9f s ILE 7 Ca -0.07 -0.64 0.00 0.00 -1.41 0.00 0.00 60.65 58.53 1z9f s ILE 7 Cb -0.13 -1.11 0.02 0.00 0.13 0.00 0.00 42.46 41.38 1z9f s ILE 7 CO -0.03 0.37 -0.09 -0.63 -1.91 0.00 0.00 174.94 172.66 1z9f s ILE 8 N 0.03 1.09 0.03 2.00 1.01 -1.26 -0.93 121.20 123.17 1z9f s ILE 8 Ca -0.03 -0.35 0.05 0.00 0.00 0.00 0.00 60.65 60.33 1z9f s ILE 8 Cb -0.10 -1.08 -0.02 0.00 0.01 0.00 0.00 42.46 41.27 1z9f s ILE 8 CO 0.02 0.37 -0.15 -0.76 0.00 0.00 0.00 174.94 174.42 1z9f s LEU 9 N 1.53 2.13 -0.17 2.97 1.43 -0.01 -4.98 118.68 121.57 1z9f s LEU 9 Ca 0.02 -0.41 0.00 0.00 -1.03 0.00 0.00 54.13 52.72 1z9f s LEU 9 Cb -0.13 -0.67 0.03 0.00 0.03 0.00 0.00 46.19 45.45 1z9f s LEU 9 CO -0.07 0.08 -0.11 -0.63 0.23 0.00 0.00 176.35 175.86 1z9f s ILE 10 N -0.70 1.50 0.31 -0.59 1.01 -1.26 0.10 121.20 121.57 1z9f s ILE 10 Ca 0.03 -0.78 -0.14 0.00 0.00 0.00 0.00 60.65 59.76 1z9f s ILE 10 Cb -0.07 -1.53 0.02 0.00 0.01 0.00 0.00 42.46 40.89 1z9f s ILE 10 CO 0.01 0.27 0.63 -0.83 0.00 0.00 0.00 174.94 175.02 1z9f s GLY 11 N 1.48 0.51 0.10 6.18 0.00 -0.62 -4.75 107.32 110.22 1z9f s GLY 11 Ca 0.01 -0.82 -0.09 0.00 0.00 0.00 0.00 44.72 43.83 1z9f s GLY 11 CO -0.09 -0.47 0.41 1.09 0.00 0.00 0.00 173.10 174.04 1z9f s ARG 12 N -3.32 3.74 -0.08 2.90 1.70 -0.84 -0.44 118.95 122.60 1z9f s ARG 12 Ca 0.19 0.14 -0.30 0.00 -0.47 0.00 0.00 55.73 55.29 1z9f s ARG 12 Cb -0.03 -2.94 -0.03 0.00 -0.57 0.00 0.00 34.95 31.38 1z9f s ARG 12 CO 0.11 0.52 1.28 -0.51 -1.08 0.00 0.00 175.30 175.62 1z9f s LEU 13 N -2.13 4.25 0.05 -1.89 1.02 0.32 -0.04 118.68 120.26 1z9f s LEU 13 Ca 0.36 1.84 0.23 0.00 0.02 0.00 0.00 54.13 56.58 1z9f s LEU 13 Cb -0.13 -3.55 0.12 0.00 0.02 0.00 0.00 46.19 42.64 1z9f s LEU 13 CO 0.20 -0.69 1.09 1.33 0.02 0.00 0.00 176.35 178.30 1z9f n VAL 14 N 4.94 0.17 -3.88 -1.59 0.24 -1.03 0.24 118.33 117.41 1z9f n VAL 14 Ca 0.13 -0.21 -0.09 0.00 -2.04 0.00 0.00 64.34 62.12 1z9f n VAL 14 Cb 0.45 0.21 -0.05 0.00 -1.47 0.00 0.00 33.84 32.98 1z9f n VAL 14 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1z9f s ARG 15 N -3.16 1.36 0.57 7.34 1.70 -1.26 -4.81 118.95 120.68 1z9f s ARG 15 Ca 0.05 -1.07 -0.20 0.00 -0.47 0.00 0.00 55.73 54.04 1z9f s ARG 15 Cb 0.15 0.46 -0.04 0.00 -0.57 0.00 0.00 34.95 34.95 1z9f s ARG 15 CO 0.78 -0.55 1.26 -0.51 -1.08 0.00 0.00 175.30 175.20 1z9f s ASP 16 N -2.94 5.28 0.56 -2.89 1.01 -1.26 -4.47 116.67 111.95 1z9f s ASP 16 Ca 0.15 2.52 -0.20 0.00 0.71 0.00 0.00 52.55 55.74 1z9f s ASP 16 Cb 0.00 -2.61 -0.05 0.00 1.01 0.00 0.00 42.92 41.27 1z9f s ASP 16 CO 0.01 -1.54 1.17 -2.16 0.21 0.00 0.00 175.17 172.86 1z9f s PRO 17 N -3.11 3.23 -0.33 8.23 0.04 -1.26 -4.88 135.00 136.92 1z9f s PRO 17 Ca 0.74 1.73 -0.09 0.00 0.04 0.00 0.00 61.00 63.43 1z9f s PRO 17 Cb -0.34 -2.02 0.01 0.00 0.04 0.00 0.00 34.50 32.19 1z9f s PRO 17 CO 0.39 -0.97 0.15 -1.21 0.04 0.00 0.00 177.00 175.39 1z9f s GLU 18 N -3.24 3.03 0.20 4.56 2.02 0.13 -4.94 118.70 120.47 1z9f s GLU 18 Ca 0.74 -0.92 -0.26 0.00 0.02 0.00 0.00 54.97 54.54 1z9f s GLU 18 Cb -0.27 -3.56 -0.08 0.00 0.10 0.00 0.00 34.13 30.31 1z9f s GLU 18 CO 0.31 -0.54 0.83 -2.00 0.02 0.00 0.00 175.26 173.87 1z9f s GLU 19 N 1.54 4.64 -0.41 1.61 2.56 -1.26 -1.79 118.70 125.59 1z9f s GLU 19 Ca 0.03 1.25 0.01 0.00 0.00 0.00 0.00 54.97 56.26 1z9f s GLU 19 Cb -0.18 -3.22 0.19 0.00 2.00 0.00 0.00 34.13 32.92 1z9f s GLU 19 CO 0.05 0.53 0.84 0.50 -0.56 0.00 0.00 175.26 176.63 1z9f s ARG 20 N -1.26 0.63 -0.11 4.30 6.06 0.40 -4.99 118.95 123.98 1z9f s ARG 20 Ca 0.38 -0.43 -0.30 0.00 -2.50 0.00 0.00 55.73 52.89 1z9f s ARG 20 Cb -0.23 0.02 -0.01 0.00 0.06 0.00 0.00 34.95 34.78 1z9f s ARG 20 CO 0.28 -0.84 1.04 0.71 -2.50 0.00 0.00 175.30 173.99 1z9f s TYR 21 N 1.43 3.44 0.00 5.12 2.02 -1.26 -1.67 117.35 126.43 1z9f s TYR 21 Ca 0.21 1.52 0.00 0.00 -0.37 0.00 0.00 57.07 58.43 1z9f s TYR 21 Cb 0.02 -3.23 0.00 0.00 -0.40 0.00 0.00 41.96 38.35 1z9f s TYR 21 CO -0.09 -0.42 0.00 0.25 -1.57 0.00 0.00 175.55 173.72 1z9f n THR 22 N 4.64 0.00 0.00 -0.71 -2.24 -1.26 -4.93 114.28 109.78 1z9f n THR 22 Ca 0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 1z9f n THR 22 Cb 0.48 -1.63 0.00 0.00 -2.10 0.00 0.00 70.33 67.08 1z9f n THR 22 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1z9f n LEU 23 N 0.00 0.00 0.18 3.22 4.77 -1.26 -4.87 117.00 119.03 1z9f n LEU 23 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1z9f n LEU 23 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1z9f n LEU 23 CO 0.00 0.00 0.00 0.41 -1.33 0.00 0.00 177.39 176.47 1z9f n THR 26 N -1.81 0.00 -2.47 -5.08 -1.04 -1.26 -5.20 114.28 97.42 1z9f n THR 26 Ca 0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.59 1z9f n THR 26 Cb 0.00 -0.18 -0.03 0.00 -1.82 0.00 0.00 70.33 68.30 1z9f n THR 26 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1z9f s PRO 27 N -1.85 4.45 -0.08 -2.82 0.02 -1.26 -4.43 135.00 129.03 1z9f s PRO 27 Ca 0.00 1.71 0.02 0.00 0.02 0.00 0.00 61.00 62.75 1z9f s PRO 27 Cb 0.00 -3.38 0.01 0.00 0.02 0.00 0.00 34.50 31.16 1z9f s PRO 27 CO 0.00 -0.24 -0.13 0.08 -0.33 0.00 0.00 177.00 176.39 1z9f s VAL 28 N 1.13 1.21 -0.06 3.83 1.01 -0.67 -1.46 120.40 125.39 1z9f s VAL 28 Ca 0.57 -0.50 0.03 0.00 0.00 0.00 0.00 61.98 62.09 1z9f s VAL 28 Cb -0.28 -1.12 0.01 0.00 0.00 0.00 0.00 36.38 34.99 1z9f s VAL 28 CO 0.28 0.38 -0.16 -0.89 0.00 0.00 0.00 175.10 174.71 1z9f s THR 29 N 0.83 1.40 0.18 3.92 2.01 -0.92 -0.45 115.64 122.61 1z9f s THR 29 Ca -0.11 -0.65 0.11 0.00 0.31 0.00 0.00 61.69 61.35 1z9f s THR 29 Cb -0.15 -1.23 -0.04 0.00 0.01 0.00 0.00 72.50 71.08 1z9f s THR 29 CO 0.02 0.41 -0.25 0.42 -0.69 0.00 0.00 174.62 174.53 1z9f s THR 30 N 0.40 2.32 0.01 -0.82 -4.23 -0.74 -0.81 115.64 111.76 1z9f s THR 30 Ca -0.12 -1.97 -0.28 0.00 -1.18 0.00 0.00 61.69 58.14 1z9f s THR 30 Cb -0.15 -2.09 0.09 0.00 1.34 0.00 0.00 72.50 71.70 1z9f s THR 30 CO 0.04 -0.08 0.81 0.72 -0.54 0.00 0.00 174.62 175.58 1z9f s PHE 31 N -1.54 -0.43 -0.06 3.99 -0.71 -0.25 -0.69 117.98 118.29 1z9f s PHE 31 Ca 0.19 0.40 0.05 0.00 -1.04 0.00 0.00 56.93 56.53 1z9f s PHE 31 Cb -0.08 0.52 -0.02 0.00 -1.21 0.00 0.00 43.02 42.23 1z9f s PHE 31 CO 0.09 -0.60 -0.20 0.95 -1.34 0.00 0.00 175.22 174.12 1z9f s THR 32 N -2.77 2.48 0.13 -4.49 -4.23 -1.26 0.19 115.64 105.70 1z9f s THR 32 Ca 0.01 -0.92 0.06 0.00 -1.18 0.00 0.00 61.69 59.66 1z9f s THR 32 Cb -0.01 -1.94 -0.04 0.00 1.34 0.00 0.00 72.50 71.86 1z9f s THR 32 CO -0.06 0.57 -0.01 0.27 -0.54 0.00 0.00 174.62 174.85 1z9f s ILE 33 N -0.36 3.80 -0.31 2.99 -4.36 -0.58 -2.46 121.20 119.92 1z9f s ILE 33 Ca 0.03 -1.23 -0.12 0.00 -0.26 0.00 0.00 60.65 59.07 1z9f s ILE 33 Cb -0.12 -2.86 -0.03 0.00 1.25 0.00 0.00 42.46 40.70 1z9f s ILE 33 CO 0.02 0.01 0.21 0.00 0.24 0.00 0.00 174.94 175.42 1z9f s ALA 34 N -1.49 3.47 -0.61 2.27 0.00 0.94 -2.25 121.76 124.08 1z9f s ALA 34 Ca 0.26 -1.29 0.01 0.00 0.00 0.00 0.00 51.96 50.94 1z9f s ALA 34 Cb -0.10 -2.55 0.15 0.00 0.00 0.00 0.00 23.12 20.62 1z9f s ALA 34 CO 0.18 -0.82 0.40 0.08 0.00 0.00 0.00 175.76 175.60 1z9f s VAL 35 N 1.72 3.23 0.43 0.00 1.01 -0.05 -1.98 120.40 124.75 1z9f s VAL 35 Ca 0.06 -3.31 -0.19 0.00 0.00 0.00 0.00 61.98 58.54 1z9f s VAL 35 Cb -0.17 -3.14 -0.10 0.00 0.00 0.00 0.00 36.38 32.97 1z9f s VAL 35 CO 0.10 -0.87 0.93 1.51 0.00 0.00 0.00 175.10 176.77 1z9f s ASP 36 N 0.01 6.86 -0.06 3.32 1.47 -1.26 -2.11 116.67 124.90 1z9f s ASP 36 Ca 0.19 1.62 -0.01 0.00 1.18 0.00 0.00 52.55 55.52 1z9f s ASP 36 Cb -0.20 -2.51 -0.00 0.00 -0.34 0.00 0.00 42.92 39.86 1z9f s ASP 36 CO -0.04 -0.39 -0.02 0.03 0.68 0.00 0.00 175.17 175.43 1z9f h ARG 37 N 1.76 0.00 0.00 2.11 3.08 -1.98 -3.48 114.38 115.86 1z9f h ARG 37 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.57 1z9f h ARG 37 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.23 1z9f h ARG 37 CO 0.62 0.00 0.00 -2.37 -1.07 0.00 0.00 179.97 177.15 1z9f n THR 49 N -3.43 0.00 -4.03 2.04 5.66 -1.26 -5.16 114.28 108.10 1z9f n THR 49 Ca -0.01 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.72 1z9f n THR 49 Cb 0.03 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 68.76 1z9f n THR 49 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1z9f s THR 50 N 0.00 4.75 -0.15 1.09 2.01 -1.26 -5.07 115.64 117.00 1z9f s THR 50 Ca 0.00 -0.87 -0.02 0.00 0.31 0.00 0.00 61.69 61.10 1z9f s THR 50 Cb 0.00 -3.39 -0.02 0.00 0.01 0.00 0.00 72.50 69.10 1z9f s THR 50 CO 0.00 -0.03 -0.07 -1.81 -0.69 0.00 0.00 174.62 172.01 1z9f s ASP 51 N -2.93 4.44 -0.13 3.53 1.01 -0.90 -4.97 116.67 116.73 1z9f s ASP 51 Ca 0.32 -0.23 -0.05 0.00 0.71 0.00 0.00 52.55 53.29 1z9f s ASP 51 Cb -0.11 -1.71 -0.04 0.00 1.01 0.00 0.00 42.92 42.07 1z9f s ASP 51 CO 0.25 0.15 0.05 -0.36 0.21 0.00 0.00 175.17 175.47 1z9f s PHE 52 N 0.47 3.29 -0.09 4.23 0.08 -1.26 -0.87 117.98 123.83 1z9f s PHE 52 Ca -0.06 0.22 0.01 0.00 0.12 0.00 0.00 56.93 57.22 1z9f s PHE 52 Cb -0.15 -1.92 0.02 0.00 -0.57 0.00 0.00 43.02 40.40 1z9f s PHE 52 CO 0.03 0.42 -0.09 -0.06 -0.10 0.00 0.00 175.22 175.42 1z9f s PHE 53 N -0.49 1.46 -0.24 0.36 0.40 -0.95 -4.98 117.98 113.53 1z9f s PHE 53 Ca 0.10 -0.65 -0.29 0.00 -0.60 0.00 0.00 56.93 55.49 1z9f s PHE 53 Cb -0.12 -1.15 -0.02 0.00 0.51 0.00 0.00 43.02 42.24 1z9f s PHE 53 CO 0.02 -0.41 1.54 0.50 0.70 0.00 0.00 175.22 177.57 1z9f s ARG 54 N 1.25 3.81 -0.16 0.44 3.52 -1.26 -1.53 118.95 125.02 1z9f s ARG 54 Ca -0.04 1.55 -0.14 0.00 -0.13 0.00 0.00 55.73 56.97 1z9f s ARG 54 Cb -0.14 -4.00 -0.05 0.00 -1.56 0.00 0.00 34.95 29.20 1z9f s ARG 54 CO -0.03 -1.27 0.30 0.42 -0.81 0.00 0.00 175.30 173.91 1z9f s ILE 55 N 5.04 5.30 -0.10 4.11 -1.09 0.51 -0.73 121.20 134.24 1z9f s ILE 55 Ca 0.68 0.56 0.00 0.00 -2.23 0.00 0.00 60.65 59.66 1z9f s ILE 55 Cb -0.23 -3.64 -0.02 0.00 -1.58 0.00 0.00 42.46 36.99 1z9f s ILE 55 CO 0.28 0.38 -0.11 -0.69 -1.23 0.00 0.00 174.94 173.58 1z9f s VAL 56 N 0.49 3.32 0.10 2.92 1.01 0.93 -1.08 120.40 128.09 1z9f s VAL 56 Ca 0.17 -0.59 0.07 0.00 0.00 0.00 0.00 61.98 61.63 1z9f s VAL 56 Cb -0.13 -2.37 -0.03 0.00 0.00 0.00 0.00 36.38 33.84 1z9f s VAL 56 CO 0.04 0.55 -0.19 0.42 0.00 0.00 0.00 175.10 175.92 1z9f s THR 57 N -0.18 1.56 0.09 3.92 -4.23 0.01 -1.11 115.64 115.70 1z9f s THR 57 Ca 0.01 -1.50 0.05 0.00 -1.18 0.00 0.00 61.69 59.06 1z9f s THR 57 Cb -0.13 -1.45 -0.03 0.00 1.34 0.00 0.00 72.50 72.23 1z9f s THR 57 CO 0.03 -0.12 -0.13 -0.36 -0.54 0.00 0.00 174.62 173.50 1z9f s PHE 58 N -1.25 1.22 0.00 3.99 0.40 -1.26 -2.15 117.98 118.92 1z9f s PHE 58 Ca 0.05 -0.54 0.00 0.00 -0.60 0.00 0.00 56.93 55.84 1z9f s PHE 58 Cb -0.10 -0.66 0.00 0.00 0.51 0.00 0.00 43.02 42.77 1z9f s PHE 58 CO 0.04 0.07 0.00 0.41 0.70 0.00 0.00 175.22 176.43 1z9f n GLY 59 N 0.88 2.56 0.30 4.36 0.00 -0.54 -2.97 105.19 109.77 1z9f n GLY 59 Ca -0.18 -0.45 0.12 0.00 0.00 0.00 0.00 46.02 45.50 1z9f n GLY 59 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1z9f h ARG 60 N 0.00 0.00 -0.22 1.61 -0.00 -1.98 0.18 114.38 113.97 1z9f h ARG 60 Ca 0.00 -0.00 -0.11 0.00 -0.00 0.00 0.00 59.98 59.87 1z9f h ARG 60 Cb 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 29.97 1z9f h ARG 60 CO 0.00 0.00 -0.30 1.25 -0.00 0.00 0.00 179.97 180.92 1z9f h LEU 61 N 0.00 0.65 -0.40 0.08 5.85 -1.93 0.94 115.31 120.50 1z9f h LEU 61 Ca 0.08 -0.51 0.07 0.00 0.84 0.00 0.00 57.88 58.37 1z9f h LEU 61 Cb 0.33 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.11 1z9f h LEU 61 CO -0.00 1.03 0.01 0.00 -0.34 0.00 0.00 178.44 179.14 1z9f h ALA 62 N 0.64 0.38 0.04 1.25 0.00 -1.18 0.54 119.26 120.92 1z9f h ALA 62 Ca 0.02 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1z9f h ALA 62 Cb 0.88 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1z9f h ALA 62 CO 0.07 -0.39 -0.03 0.93 0.00 0.00 0.00 179.25 179.84 1z9f h GLU 63 N 0.11 -0.06 -0.78 0.00 5.08 -0.72 -1.16 114.58 117.06 1z9f h GLU 63 Ca 0.20 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.63 1z9f h GLU 63 Cb 0.28 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.48 1z9f h GLU 63 CO -0.33 -0.04 0.47 0.35 -1.00 0.00 0.00 179.01 178.46 1z9f h PHE 64 N -0.06 0.86 0.80 4.33 3.04 0.11 -2.21 116.94 123.81 1z9f h PHE 64 Ca -0.00 0.03 -0.04 0.00 3.98 0.00 0.00 57.97 61.94 1z9f h PHE 64 Cb 0.06 -0.27 0.01 0.00 2.56 0.00 0.00 35.95 38.30 1z9f h PHE 64 CO -0.08 0.42 -0.38 0.00 -2.02 0.00 0.00 178.31 176.25 1z9f h ALA 65 N 1.38 -1.28 -0.61 2.41 0.00 0.67 -1.62 119.26 120.22 1z9f h ALA 65 Ca 0.35 -0.23 0.09 0.00 0.00 0.00 0.00 54.91 55.11 1z9f h ALA 65 Cb 0.19 0.41 -0.07 0.00 0.00 0.00 0.00 17.79 18.32 1z9f h ALA 65 CO -0.18 -1.20 0.24 -0.09 0.00 0.00 0.00 179.25 178.02 1z9f h ARG 66 N -1.08 0.41 -0.00 0.00 9.65 -1.24 0.53 114.38 122.65 1z9f h ARG 66 Ca -0.11 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.75 1z9f h ARG 66 Cb 0.82 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 29.31 1z9f h ARG 66 CO 0.18 0.27 -0.06 0.25 2.80 0.00 0.00 179.97 183.41 1z9f n THR 67 N -4.98 0.00 0.00 0.20 -2.24 -0.83 -4.30 114.28 102.13 1z9f n THR 67 Ca 0.08 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 1z9f n THR 67 Cb 0.26 -0.40 0.00 0.00 -2.10 0.00 0.00 70.33 68.10 1z9f n THR 67 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1z9f n TYR 68 N -1.43 0.00 -2.84 4.78 4.01 -0.62 -5.07 117.16 115.99 1z9f n TYR 68 Ca 0.09 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.42 1z9f n TYR 68 Cb 0.32 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.30 1z9f n TYR 68 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1z9f s LEU 69 N -3.55 4.49 0.10 7.72 1.43 0.18 -5.06 118.68 123.99 1z9f s LEU 69 Ca 0.00 1.65 0.00 0.00 -1.03 0.00 0.00 54.13 54.75 1z9f s LEU 69 Cb 0.00 -3.43 -0.04 0.00 0.03 0.00 0.00 46.19 42.75 1z9f s LEU 69 CO 0.00 -0.01 -0.02 0.42 0.23 0.00 0.00 176.35 176.97 1z9f s THR 70 N -0.11 0.43 0.59 5.49 -4.23 -1.26 -4.43 115.64 112.11 1z9f s THR 70 Ca 0.43 -1.90 -0.18 0.00 -1.18 0.00 0.00 61.69 58.85 1z9f s THR 70 Cb -0.22 -1.79 -0.06 0.00 1.34 0.00 0.00 72.50 71.76 1z9f s THR 70 CO 0.27 -0.75 0.78 2.29 -0.54 0.00 0.00 174.62 176.67 1z9f n LYS 71 N -0.05 0.73 0.00 3.99 0.00 -1.26 -2.74 118.16 118.83 1z9f n LYS 71 Ca -0.10 0.28 0.00 0.00 -0.00 0.00 0.00 58.31 58.49 1z9f n LYS 71 Cb 0.62 -1.97 0.00 0.00 -0.00 0.00 0.00 35.03 33.68 1z9f n LYS 71 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1z9f n GLY 72 N 1.50 1.53 3.58 2.58 0.00 0.66 -4.90 105.19 110.13 1z9f n GLY 72 Ca 0.13 -0.20 -0.48 0.00 0.00 0.00 0.00 46.02 45.47 1z9f n GLY 72 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1z9f n ARG 73 N 0.00 1.21 -3.34 1.61 3.00 -1.11 -4.24 116.66 113.80 1z9f n ARG 73 Ca 0.00 0.43 -0.40 0.00 -0.00 0.00 0.00 57.85 57.89 1z9f n ARG 73 Cb 0.00 -1.89 -0.09 0.00 0.00 0.00 0.00 32.46 30.49 1z9f n ARG 73 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 1z9f s LEU 74 N 0.65 4.08 0.12 6.15 2.96 -1.26 -0.52 118.68 130.86 1z9f s LEU 74 Ca 0.69 0.31 0.09 0.00 -0.22 0.00 0.00 54.13 55.00 1z9f s LEU 74 Cb -0.81 -2.49 -0.04 0.00 0.50 0.00 0.00 46.19 43.35 1z9f s LEU 74 CO 0.54 -0.24 -0.23 0.68 -1.32 0.00 0.00 176.35 175.79 1z9f s VAL 75 N 2.15 1.92 -0.02 1.68 -7.23 0.41 -0.21 120.40 119.10 1z9f s VAL 75 Ca 0.17 -1.67 -0.19 0.00 -1.81 0.00 0.00 61.98 58.48 1z9f s VAL 75 Cb -0.16 -1.74 -0.05 0.00 0.56 0.00 0.00 36.38 34.99 1z9f s VAL 75 CO 0.10 -0.05 0.54 -0.22 -0.31 0.00 0.00 175.10 175.16 1z9f s LEU 76 N -2.07 4.41 -0.10 1.32 0.20 0.72 -1.59 118.68 121.56 1z9f s LEU 76 Ca 0.10 1.07 0.02 0.00 0.69 0.00 0.00 54.13 56.01 1z9f s LEU 76 Cb -0.09 -2.82 0.01 0.00 -0.43 0.00 0.00 46.19 42.86 1z9f s LEU 76 CO 0.05 0.13 -0.16 -0.69 -0.29 0.00 0.00 176.35 175.39 1z9f s VAL 77 N -0.25 1.54 -0.11 1.68 1.01 0.11 -2.14 120.40 122.25 1z9f s VAL 77 Ca 0.29 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 61.60 1z9f s VAL 77 Cb -0.17 -1.40 -0.01 0.00 0.00 0.00 0.00 36.38 34.80 1z9f s VAL 77 CO 0.15 0.45 -0.16 -0.70 0.00 0.00 0.00 175.10 174.84 1z9f s GLU 78 N 0.88 3.21 0.00 2.72 2.12 -0.62 -0.83 118.70 126.18 1z9f s GLU 78 Ca -0.09 -0.74 0.00 0.00 0.36 0.00 0.00 54.97 54.50 1z9f s GLU 78 Cb -0.15 -2.51 0.00 0.00 0.26 0.00 0.00 34.13 31.72 1z9f s GLU 78 CO 0.00 0.24 0.00 0.41 -0.54 0.00 0.00 175.26 175.37 1z9f n GLY 79 N 3.41 1.11 3.41 -1.50 0.00 -0.11 0.71 105.19 112.22 1z9f n GLY 79 Ca -0.18 -0.09 -0.30 0.00 0.00 0.00 0.00 46.02 45.44 1z9f n GLY 79 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1z9f s GLU 80 N 3.54 1.89 -0.49 1.61 2.02 0.20 -0.34 118.70 127.13 1z9f s GLU 80 Ca 0.00 -1.08 -0.20 0.00 0.02 0.00 0.00 54.97 53.71 1z9f s GLU 80 Cb 0.00 -2.08 0.04 0.00 0.10 0.00 0.00 34.13 32.19 1z9f s GLU 80 CO 0.00 0.52 0.68 1.41 0.02 0.00 0.00 175.26 177.88 1z9f s MET 81 N -1.48 3.20 -0.07 1.61 -2.45 -1.26 -1.58 119.30 117.27 1z9f s MET 81 Ca 0.14 -0.63 -0.20 0.00 -1.25 0.00 0.00 55.69 53.75 1z9f s MET 81 Cb -0.10 -4.04 -0.05 0.00 1.25 0.00 0.00 34.83 31.89 1z9f s MET 81 CO 0.05 -1.19 0.55 1.03 1.05 0.00 0.00 175.02 176.50 1z9f s ARG 82 N 2.89 4.32 -0.84 4.11 1.81 0.68 -4.98 118.95 126.95 1z9f s ARG 82 Ca 0.20 0.61 0.01 0.00 -1.72 0.00 0.00 55.73 54.83 1z9f s ARG 82 Cb -0.17 -3.40 0.27 0.00 -0.45 0.00 0.00 34.95 31.21 1z9f s ARG 82 CO 0.15 0.24 1.05 -1.33 -0.68 0.00 0.00 175.30 174.74 1z9f n MET 83 N 3.28 3.34 -3.01 3.54 2.81 -1.26 -1.31 117.12 124.52 1z9f n MET 83 Ca -0.06 -4.62 -0.41 0.00 -1.81 0.00 0.00 57.70 50.80 1z9f n MET 83 Cb 0.51 -2.37 -0.05 0.00 -0.71 0.00 0.00 33.22 30.60 1z9f n MET 83 CO 0.00 0.00 0.00 -0.98 1.51 0.00 0.00 175.97 176.50 1z9f s ARG 84 N -2.54 4.26 0.37 0.03 1.70 -0.48 -4.70 118.95 117.58 1z9f s ARG 84 Ca 0.35 0.81 0.02 0.00 -0.47 0.00 0.00 55.73 56.44 1z9f s ARG 84 Cb 0.09 -3.57 0.07 0.00 -0.57 0.00 0.00 34.95 30.97 1z9f s ARG 84 CO 0.03 -0.27 0.51 0.54 -1.08 0.00 0.00 175.30 175.03 1z9f n ARG 85 N 5.08 0.42 -3.66 3.89 1.74 -1.26 0.23 116.66 123.09 1z9f n ARG 85 Ca 0.01 -1.55 -0.24 0.00 -0.77 0.00 0.00 57.85 55.30 1z9f n ARG 85 Cb 0.49 -0.28 -0.17 0.00 -1.02 0.00 0.00 32.46 31.48 1z9f n ARG 85 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1z9f s LYS 93 N -3.71 0.14 -0.23 5.56 1.02 -1.26 -4.93 119.74 116.32 1z9f s LYS 93 Ca 0.35 0.07 -0.03 0.00 0.02 0.00 0.00 55.97 56.38 1z9f s LYS 93 Cb -0.02 -1.28 0.10 0.00 -0.52 0.00 0.00 37.83 36.11 1z9f s LYS 93 CO 0.23 -0.50 0.20 0.50 -0.92 0.00 0.00 175.35 174.86 1z9f s ARG 94 N 2.10 0.20 -0.22 1.68 6.06 -1.26 -5.10 118.95 122.42 1z9f s ARG 94 Ca 0.03 -0.06 -0.33 0.00 -2.50 0.00 0.00 55.73 52.87 1z9f s ARG 94 Cb -0.14 -1.18 -0.10 0.00 0.06 0.00 0.00 34.95 33.59 1z9f s ARG 94 CO -0.06 -0.81 2.09 0.28 -2.50 0.00 0.00 175.30 174.30 1z9f n VAL 95 N 5.30 0.38 -3.91 7.11 0.31 -1.26 -4.98 118.33 121.29 1z9f n VAL 95 Ca -0.05 -0.26 -0.35 0.00 -0.01 0.00 0.00 64.34 63.66 1z9f n VAL 95 Cb 0.47 -2.00 -0.14 0.00 -0.91 0.00 0.00 33.84 31.26 1z9f n VAL 95 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1z9f s SER 96 N 6.45 4.39 -0.37 4.52 0.15 0.62 -4.86 113.70 124.59 1z9f s SER 96 Ca 1.01 -0.57 -0.25 0.00 0.70 0.00 0.00 55.95 56.84 1z9f s SER 96 Cb -0.64 -1.73 0.01 0.00 -1.71 0.00 0.00 66.02 61.95 1z9f s SER 96 CO 0.46 -0.07 0.86 -2.16 1.20 0.00 0.00 173.24 173.53 1z9f s PRO 97 N 1.44 3.78 0.08 5.44 0.05 -1.26 -1.39 135.00 143.14 1z9f s PRO 97 Ca 0.04 0.43 0.07 0.00 0.05 0.00 0.00 61.00 61.58 1z9f s PRO 97 Cb -0.15 -3.82 -0.03 0.00 0.05 0.00 0.00 34.50 30.55 1z9f s PRO 97 CO -0.03 -0.93 -0.18 -1.21 0.05 0.00 0.00 177.00 174.70 1z9f s GLU 98 N 3.33 1.03 -0.38 4.56 2.02 -0.42 -4.37 118.70 124.47 1z9f s GLU 98 Ca 0.35 -1.01 -0.17 0.00 0.02 0.00 0.00 54.97 54.15 1z9f s GLU 98 Cb -0.12 -1.16 0.01 0.00 0.10 0.00 0.00 34.13 32.95 1z9f s GLU 98 CO 0.18 0.27 0.47 0.08 0.02 0.00 0.00 175.26 176.29 1z9f s VAL 99 N -1.11 5.05 -0.56 2.63 1.01 0.09 -0.23 120.40 127.28 1z9f s VAL 99 Ca 0.03 0.02 -0.27 0.00 0.00 0.00 0.00 61.98 61.76 1z9f s VAL 99 Cb -0.10 -3.98 0.03 0.00 0.00 0.00 0.00 36.38 32.33 1z9f s VAL 99 CO 0.03 -0.30 1.09 -0.69 0.00 0.00 0.00 175.10 175.23 1z9f s VAL 100 N 2.27 4.17 0.14 2.92 1.01 -0.61 -0.05 120.40 130.26 1z9f s VAL 100 Ca 0.15 0.69 -0.29 0.00 0.00 0.00 0.00 61.98 62.54 1z9f s VAL 100 Cb -0.16 -4.65 -0.07 0.00 0.00 0.00 0.00 36.38 31.50 1z9f s VAL 100 CO 0.14 -1.23 0.91 0.00 0.00 0.00 0.00 175.10 174.91 1z9f s ALA 101 N 4.55 3.31 -0.29 5.51 0.00 -0.27 -0.63 121.76 133.94 1z9f s ALA 101 Ca 0.39 0.52 0.21 0.00 0.00 0.00 0.00 51.96 53.08 1z9f s ALA 101 Cb -0.09 -3.18 -0.30 0.00 0.00 0.00 0.00 23.12 19.54 1z9f s ALA 101 CO 0.23 0.09 0.58 0.27 0.00 0.00 0.00 175.76 176.93 1z9f n ASN 102 N 2.29 0.37 -3.80 0.00 6.94 0.22 -4.73 115.26 116.55 1z9f n ASN 102 Ca -0.00 -0.27 -0.13 0.00 -0.02 0.00 0.00 54.58 54.15 1z9f n ASN 102 Cb 0.49 1.70 -0.14 0.00 -2.36 0.00 0.00 39.78 39.47 1z9f n ASN 102 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1z9f s VAL 103 N -3.33 -0.03 -0.14 3.53 1.01 -0.77 -5.00 120.40 115.67 1z9f s VAL 103 Ca -0.03 0.10 -0.03 0.00 0.00 0.00 0.00 61.98 62.01 1z9f s VAL 103 Cb 0.14 -0.16 0.05 0.00 0.00 0.00 0.00 36.38 36.41 1z9f s VAL 103 CO 0.87 0.04 0.04 -0.69 0.00 0.00 0.00 175.10 175.37 1z9f s VAL 104 N 0.59 0.27 -0.06 2.92 1.01 -1.26 -1.58 120.40 122.28 1z9f s VAL 104 Ca -0.04 -0.20 0.02 0.00 0.00 0.00 0.00 61.98 61.76 1z9f s VAL 104 Cb -0.06 -0.71 -0.03 0.00 0.00 0.00 0.00 36.38 35.58 1z9f s VAL 104 CO -0.02 -0.08 -0.11 -0.13 0.00 0.00 0.00 175.10 174.76 1z9f s ARG 105 N 1.99 2.69 0.40 2.72 0.52 -0.91 -4.97 118.95 121.39 1z9f s ARG 105 Ca 0.02 -0.62 -0.27 0.00 -0.52 0.00 0.00 55.73 54.33 1z9f s ARG 105 Cb -0.15 -2.50 -0.10 0.00 0.52 0.00 0.00 34.95 32.71 1z9f s ARG 105 CO -0.07 0.61 1.49 -0.06 0.02 0.00 0.00 175.30 177.29 1z9f s PHE 106 N -0.68 2.52 -0.24 -0.53 0.08 -1.26 -0.20 117.98 117.67 1z9f s PHE 106 Ca 0.10 1.17 -0.02 0.00 0.12 0.00 0.00 56.93 58.30 1z9f s PHE 106 Cb -0.11 -4.03 -0.14 0.00 -0.57 0.00 0.00 43.02 38.16 1z9f s PHE 106 CO 0.01 -3.07 -0.25 -1.33 -0.10 0.00 0.00 175.22 170.48 1z9f n MET 107 N 0.29 0.58 0.00 0.44 2.81 0.70 -4.79 117.12 117.17 1z9f n MET 107 Ca 0.02 0.17 0.11 0.00 -1.81 0.00 0.00 57.70 56.19 1z9f n MET 107 Cb 0.40 -1.46 0.68 0.00 -0.71 0.00 0.00 33.22 32.12 1z9f n MET 107 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08