#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2z9t s ILE 1 N 0.00 0.06 -0.00 3.17 2.07 -1.26 -5.16 121.20 120.08 2z9t s ILE 1 Ca 0.00 -0.48 0.01 0.00 -1.41 0.00 0.00 60.65 58.77 2z9t s ILE 1 Cb 0.00 -0.29 0.00 0.00 0.13 0.00 0.00 42.46 42.30 2z9t s ILE 1 CO 0.00 -0.26 -0.03 0.00 -1.91 0.00 0.00 174.94 172.74 2z9t s GLN 2 N -0.86 0.26 -0.04 3.50 -2.07 -1.26 -4.32 119.66 114.87 2z9t s GLN 2 Ca -0.09 -0.09 -0.00 0.00 -1.82 0.00 0.00 55.36 53.35 2z9t s GLN 2 Cb -0.06 -0.26 0.03 0.00 -1.09 0.00 0.00 33.01 31.63 2z9t s GLN 2 CO 0.00 0.05 0.02 1.03 -1.32 0.00 0.00 175.29 175.07 2z9t s ARG 3 N 0.02 0.21 0.36 9.60 0.52 0.64 -4.94 118.95 125.37 2z9t s ARG 3 Ca 0.00 0.16 -0.25 0.00 -0.52 0.00 0.00 55.73 55.12 2z9t s ARG 3 Cb -0.02 -0.52 -0.10 0.00 0.52 0.00 0.00 34.95 34.83 2z9t s ARG 3 CO -0.00 -0.20 0.98 0.95 0.02 0.00 0.00 175.30 177.05 2z9t s THR 4 N 1.39 4.05 0.43 0.02 -4.23 -1.26 -1.91 115.64 114.12 2z9t s THR 4 Ca -0.05 1.62 -0.24 0.00 -1.18 0.00 0.00 61.69 61.85 2z9t s THR 4 Cb -0.13 -3.86 -0.08 0.00 1.34 0.00 0.00 72.50 69.76 2z9t s THR 4 CO -0.03 0.06 1.13 -2.16 -0.54 0.00 0.00 174.62 173.08 2z9t s PRO 5 N -2.28 3.96 0.21 3.99 0.04 -1.26 -4.64 135.00 135.01 2z9t s PRO 5 Ca 0.53 1.70 -0.25 0.00 0.04 0.00 0.00 61.00 63.02 2z9t s PRO 5 Cb -0.19 -2.51 -0.08 0.00 0.04 0.00 0.00 34.50 31.76 2z9t s PRO 5 CO 0.24 -0.37 0.81 0.21 0.04 0.00 0.00 177.00 177.94 2z9t s LYS 6 N -2.55 4.55 -0.12 4.56 2.20 -0.45 -4.87 119.74 123.07 2z9t s LYS 6 Ca 0.60 1.17 0.01 0.00 -0.36 0.00 0.00 55.97 57.40 2z9t s LYS 6 Cb -0.27 -3.14 0.02 0.00 -1.51 0.00 0.00 37.83 32.93 2z9t s LYS 6 CO 0.33 0.50 -0.13 0.42 -0.36 0.00 0.00 175.35 176.10 2z9t s ILE 7 N -1.28 1.41 -0.07 5.43 1.01 -1.26 -0.88 121.20 125.56 2z9t s ILE 7 Ca 0.40 -0.57 0.03 0.00 0.00 0.00 0.00 60.65 60.51 2z9t s ILE 7 Cb -0.22 -1.31 0.01 0.00 0.01 0.00 0.00 42.46 40.95 2z9t s ILE 7 CO 0.26 0.43 -0.15 -1.10 0.00 0.00 0.00 174.94 174.37 2z9t s GLN 8 N 1.21 2.01 -0.08 2.79 -0.21 -0.37 -4.99 119.66 120.01 2z9t s GLN 8 Ca -0.02 -0.53 0.05 0.00 0.02 0.00 0.00 55.36 54.87 2z9t s GLN 8 Cb -0.14 -1.62 -0.00 0.00 1.00 0.00 0.00 33.01 32.25 2z9t s GLN 8 CO -0.05 0.08 -0.24 0.08 -2.12 0.00 0.00 175.29 173.04 2z9t s VAL 9 N 0.53 2.08 0.19 1.09 1.01 -1.26 -0.42 120.40 123.63 2z9t s VAL 9 Ca -0.15 -1.03 -0.24 0.00 0.00 0.00 0.00 61.98 60.57 2z9t s VAL 9 Cb -0.16 -1.78 0.05 0.00 0.00 0.00 0.00 36.38 34.49 2z9t s VAL 9 CO 0.05 0.56 0.88 -0.72 0.00 0.00 0.00 175.10 175.88 2z9t s TYR 10 N 0.15 -0.15 0.07 5.22 1.13 -0.68 -4.67 117.35 118.43 2z9t s TYR 10 Ca -0.13 -0.21 0.09 0.00 -1.41 0.00 0.00 57.07 55.41 2z9t s TYR 10 Cb -0.16 0.66 -0.03 0.00 -1.10 0.00 0.00 41.96 41.33 2z9t s TYR 10 CO 0.07 -0.96 -0.23 -1.54 -2.51 0.00 0.00 175.55 170.38 2z9t s SER 11 N -2.94 2.82 0.02 -0.18 1.04 -1.16 -0.18 113.70 113.13 2z9t s SER 11 Ca 0.12 -0.62 -0.03 0.00 0.48 0.00 0.00 55.95 55.89 2z9t s SER 11 Cb -0.03 -0.21 -0.01 0.00 0.10 0.00 0.00 66.02 65.87 2z9t s SER 11 CO 0.04 0.17 0.05 -0.13 0.98 0.00 0.00 173.24 174.34 2z9t s ARG 12 N -1.53 0.42 -0.15 4.02 1.81 -0.67 -4.96 118.95 117.88 2z9t s ARG 12 Ca 0.10 -0.57 -0.04 0.00 -1.72 0.00 0.00 55.73 53.50 2z9t s ARG 12 Cb -0.10 0.16 -0.03 0.00 -0.45 0.00 0.00 34.95 34.54 2z9t s ARG 12 CO 0.03 -0.09 -0.02 -1.01 -0.68 0.00 0.00 175.30 173.53 2z9t s HIS 13 N -1.65 3.06 0.32 -0.53 3.76 -1.26 -0.23 115.29 118.76 2z9t s HIS 13 Ca -0.14 -0.19 -0.29 0.00 -0.15 0.00 0.00 55.06 54.30 2z9t s HIS 13 Cb -0.08 -1.94 -0.10 0.00 1.11 0.00 0.00 32.58 31.57 2z9t s HIS 13 CO -0.01 0.06 1.31 -1.25 -0.85 0.00 0.00 174.74 174.00 2z9t s PRO 14 N 0.17 4.35 0.45 8.40 0.04 -1.26 -4.90 135.00 142.26 2z9t s PRO 14 Ca -0.01 2.21 0.19 0.00 0.04 0.00 0.00 61.00 63.44 2z9t s PRO 14 Cb -0.14 -3.08 1.08 0.00 0.04 0.00 0.00 34.50 32.41 2z9t s PRO 14 CO 0.02 -0.20 1.96 0.00 0.04 0.00 0.00 177.00 178.83 2z9t h ALA 15 N 3.59 1.41 0.00 8.56 0.00 -1.97 -2.10 119.26 128.75 2z9t h ALA 15 Ca -0.49 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.23 2z9t h ALA 15 Cb 1.22 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2z9t h ALA 15 CO 0.67 0.27 -0.09 0.39 0.00 0.00 0.00 179.25 180.49 2z9t n GLU 16 N -3.95 0.26 -3.15 0.00 1.02 -1.26 -4.24 120.64 109.32 2z9t n GLU 16 Ca -0.02 0.19 -0.21 0.00 -0.02 0.00 0.00 57.16 57.10 2z9t n GLU 16 Cb 0.30 -1.78 -0.05 0.00 -0.02 0.00 0.00 31.44 29.89 2z9t n GLU 16 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2z9t n ASN 17 N -2.23 0.09 -0.10 1.62 3.02 -0.82 -5.01 115.26 111.83 2z9t n ASN 17 Ca 0.05 -2.83 0.24 0.00 -0.03 0.00 0.00 54.58 52.01 2z9t n ASN 17 Cb 0.43 -0.42 0.69 0.00 -0.61 0.00 0.00 39.78 39.87 2z9t n ASN 17 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 2z9t h GLY 18 N 3.72 0.06 2.00 7.41 0.00 -1.67 -1.58 103.07 113.01 2z9t h GLY 18 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.38 2z9t h GLY 18 CO 0.45 0.00 0.00 0.50 0.00 0.00 0.00 176.54 177.50 2z9t h LYS 19 N 0.03 0.00 -5.99 4.80 1.57 -1.95 -3.44 116.57 111.60 2z9t h LYS 19 Ca 0.35 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 58.52 2z9t h LYS 19 Cb 1.36 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.62 2z9t h LYS 19 CO -0.01 0.00 -0.27 -1.54 -0.57 0.00 0.00 179.45 177.06 2z9t s SER 20 N -4.95 6.68 -0.02 0.86 1.04 -0.59 -5.10 113.70 111.61 2z9t s SER 20 Ca 0.02 0.81 0.07 0.00 0.48 0.00 0.00 55.95 57.33 2z9t s SER 20 Cb 0.09 -2.19 -0.01 0.00 0.10 0.00 0.00 66.02 64.01 2z9t s SER 20 CO 0.45 0.28 -0.22 0.21 0.98 0.00 0.00 173.24 174.94 2z9t s ASN 21 N -1.35 2.63 -0.04 7.02 3.04 -1.26 -4.12 114.94 120.87 2z9t s ASN 21 Ca 0.26 -0.41 0.05 0.00 0.04 0.00 0.00 52.86 52.80 2z9t s ASN 21 Cb -0.15 -0.39 -0.01 0.00 -1.54 0.00 0.00 41.25 39.16 2z9t s ASN 21 CO 0.14 0.26 -0.20 -0.36 -3.04 0.00 0.00 177.10 173.89 2z9t s PHE 22 N -0.42 1.96 -0.19 0.43 0.08 0.68 -1.06 117.98 119.45 2z9t s PHE 22 Ca 0.06 -0.51 -0.15 0.00 0.12 0.00 0.00 56.93 56.44 2z9t s PHE 22 Cb -0.10 -1.29 -0.04 0.00 -0.57 0.00 0.00 43.02 41.02 2z9t s PHE 22 CO -0.00 -0.14 0.38 -1.17 -0.10 0.00 0.00 175.22 174.19 2z9t s LEU 23 N -0.17 4.17 -0.05 -0.37 2.96 -0.26 -1.67 118.68 123.29 2z9t s LEU 23 Ca -0.00 0.52 0.06 0.00 -0.22 0.00 0.00 54.13 54.49 2z9t s LEU 23 Cb -0.11 -2.49 -0.01 0.00 0.50 0.00 0.00 46.19 44.08 2z9t s LEU 23 CO 0.02 -0.04 -0.25 0.20 -1.32 0.00 0.00 176.35 174.96 2z9t s ASN 24 N 0.94 2.99 -0.21 3.68 -0.87 0.75 -2.15 114.94 120.07 2z9t s ASN 24 Ca 0.19 -0.49 0.01 0.00 -1.57 0.00 0.00 52.86 51.00 2z9t s ASN 24 Cb -0.14 -0.73 0.04 0.00 -0.02 0.00 0.00 41.25 40.40 2z9t s ASN 24 CO 0.07 0.25 -0.12 0.00 -2.57 0.00 0.00 177.10 174.74 2z9t s TYR 26 N 1.31 3.18 -0.26 0.00 5.04 0.44 -1.33 117.35 125.72 2z9t s TYR 26 Ca -0.02 -0.40 -0.01 0.00 -2.44 0.00 0.00 57.07 54.19 2z9t s TYR 26 Cb -0.17 -2.36 0.03 0.00 0.35 0.00 0.00 41.96 39.82 2z9t s TYR 26 CO -0.08 -0.39 -0.05 0.08 -1.34 0.00 0.00 175.55 173.77 2z9t s VAL 27 N 1.65 2.86 0.05 3.14 1.01 0.13 -1.24 120.40 128.00 2z9t s VAL 27 Ca 0.05 -1.16 0.05 0.00 0.00 0.00 0.00 61.98 60.92 2z9t s VAL 27 Cb -0.17 -2.52 -0.03 0.00 0.00 0.00 0.00 36.38 33.67 2z9t s VAL 27 CO 0.07 0.10 -0.15 -0.94 0.00 0.00 0.00 175.10 174.18 2z9t s SER 28 N 1.29 1.81 -0.78 3.32 1.04 -0.05 -0.35 113.70 119.97 2z9t s SER 28 Ca -0.02 -0.53 0.00 0.00 0.48 0.00 0.00 55.95 55.89 2z9t s SER 28 Cb -0.18 -0.10 0.00 0.00 0.10 0.00 0.00 66.02 65.84 2z9t s SER 28 CO -0.04 0.02 0.00 0.61 0.98 0.00 0.00 173.24 174.81 2z9t n GLY 29 N 1.66 0.21 3.91 7.32 0.00 -0.06 -1.34 105.19 116.89 2z9t n GLY 29 Ca -0.19 -0.54 -0.31 0.00 0.00 0.00 0.00 46.02 44.98 2z9t n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2z9t s PHE 30 N -2.41 3.49 -0.21 1.61 -0.71 -0.83 -4.67 117.98 114.24 2z9t s PHE 30 Ca 0.00 0.43 -0.17 0.00 -1.04 0.00 0.00 56.93 56.16 2z9t s PHE 30 Cb 0.00 -1.91 0.06 0.00 -1.21 0.00 0.00 43.02 39.96 2z9t s PHE 30 CO 0.00 0.47 0.55 -1.58 -1.34 0.00 0.00 175.22 173.32 2z9t s HIS 31 N -1.65 -0.69 1.20 3.49 2.46 -0.80 -0.95 115.29 118.34 2z9t s HIS 31 Ca 0.39 1.56 -0.19 0.00 0.47 0.00 0.00 55.06 57.29 2z9t s HIS 31 Cb -0.12 0.30 0.28 0.00 -0.13 0.00 0.00 32.58 32.91 2z9t s HIS 31 CO 0.26 -0.34 1.11 -1.25 -2.47 0.00 0.00 174.74 172.05 2z9t s PRO 32 N 0.75 -1.19 0.27 2.88 0.04 -1.26 -0.26 135.00 136.23 2z9t s PRO 32 Ca -0.04 -0.05 0.26 0.00 0.04 0.00 0.00 61.00 61.21 2z9t s PRO 32 Cb -0.05 -1.60 0.74 0.00 0.04 0.00 0.00 34.50 33.63 2z9t s PRO 32 CO -0.06 -3.69 1.74 0.66 0.04 0.00 0.00 177.00 175.69 2z9t h SER 33 N -2.57 0.00 -2.50 6.66 4.64 -1.92 -3.45 113.55 114.41 2z9t h SER 33 Ca -0.45 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.33 2z9t h SER 33 Cb 1.29 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 63.44 2z9t h SER 33 CO 0.35 0.00 0.98 0.47 -0.87 0.00 0.00 176.83 177.76 2z9t n ASP 34 N -2.45 3.76 -3.49 4.97 8.00 -1.26 -4.95 116.55 121.13 2z9t n ASP 34 Ca 0.05 1.05 -0.12 0.00 0.71 0.00 0.00 54.79 56.48 2z9t n ASP 34 Cb 0.43 -1.52 -0.03 0.00 -0.02 0.00 0.00 41.12 39.97 2z9t n ASP 34 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 2z9t s ILE 35 N 1.52 0.00 -0.09 0.53 2.07 -1.26 -4.64 121.20 119.32 2z9t s ILE 35 Ca 0.78 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 60.04 2z9t s ILE 35 Cb -0.55 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.06 2z9t s ILE 35 CO 0.35 0.00 -0.13 -0.70 -1.91 0.00 0.00 174.94 172.56 2z9t s GLU 36 N -2.59 1.89 -0.05 3.50 2.12 -0.75 -5.02 118.70 117.81 2z9t s GLU 36 Ca -0.01 -0.45 0.01 0.00 0.36 0.00 0.00 54.97 54.88 2z9t s GLU 36 Cb -0.01 -1.64 0.02 0.00 0.26 0.00 0.00 34.13 32.76 2z9t s GLU 36 CO -0.04 -0.06 -0.04 0.08 -0.54 0.00 0.00 175.26 174.65 2z9t s VAL 37 N 0.99 0.57 0.02 3.70 1.01 -1.26 -1.35 120.40 124.08 2z9t s VAL 37 Ca -0.08 -0.12 0.03 0.00 0.00 0.00 0.00 61.98 61.81 2z9t s VAL 37 Cb -0.15 -0.60 -0.01 0.00 0.00 0.00 0.00 36.38 35.62 2z9t s VAL 37 CO -0.01 0.24 -0.09 -1.81 0.00 0.00 0.00 175.10 173.44 2z9t s ASP 38 N 1.05 1.01 0.09 3.32 1.01 -0.53 -5.00 116.67 117.63 2z9t s ASP 38 Ca -0.09 -0.34 -0.17 0.00 0.71 0.00 0.00 52.55 52.67 2z9t s ASP 38 Cb -0.14 -0.05 -0.07 0.00 1.01 0.00 0.00 42.92 43.67 2z9t s ASP 38 CO -0.01 -0.02 0.54 -0.76 0.21 0.00 0.00 175.17 175.14 2z9t s LEU 39 N -0.84 4.46 0.05 1.23 1.43 -1.26 -0.54 118.68 123.22 2z9t s LEU 39 Ca -0.02 1.17 0.09 0.00 -1.03 0.00 0.00 54.13 54.34 2z9t s LEU 39 Cb -0.06 -2.99 -0.03 0.00 0.03 0.00 0.00 46.19 43.14 2z9t s LEU 39 CO 0.00 0.22 -0.25 -0.76 0.23 0.00 0.00 176.35 175.80 2z9t s LEU 40 N -1.39 2.19 -0.15 1.79 1.43 0.25 -0.66 118.68 122.13 2z9t s LEU 40 Ca 0.31 -0.59 0.01 0.00 -1.03 0.00 0.00 54.13 52.82 2z9t s LEU 40 Cb -0.18 -1.20 0.02 0.00 0.03 0.00 0.00 46.19 44.86 2z9t s LEU 40 CO 0.18 0.22 -0.16 -0.75 0.23 0.00 0.00 176.35 176.08 2z9t s LYS 41 N -1.33 2.47 -1.48 1.70 2.20 -0.02 -2.04 119.74 121.24 2z9t s LYS 41 Ca 0.11 -0.63 -0.06 0.00 -0.36 0.00 0.00 55.97 55.03 2z9t s LYS 41 Cb -0.10 -2.21 0.05 0.00 -1.51 0.00 0.00 37.83 34.06 2z9t s LYS 41 CO 0.02 -0.22 0.60 0.09 -0.36 0.00 0.00 175.35 175.49 2z9t n ASN 42 N 4.71 -1.64 0.00 1.43 5.03 0.53 -1.45 115.26 123.87 2z9t n ASN 42 Ca -0.18 -0.96 0.00 0.00 0.87 0.00 0.00 54.58 54.31 2z9t n ASN 42 Cb 0.50 -3.21 0.00 0.00 -1.02 0.00 0.00 39.78 36.05 2z9t n ASN 42 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2z9t n GLY 43 N -1.77 2.58 3.74 7.41 0.00 -1.26 -5.00 105.19 110.88 2z9t n GLY 43 Ca -0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.48 2z9t n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2z9t s GLU 44 N -0.03 3.38 0.21 1.61 2.02 -0.53 -5.02 118.70 120.35 2z9t s GLU 44 Ca 0.00 -0.30 -0.31 0.00 0.02 0.00 0.00 54.97 54.38 2z9t s GLU 44 Cb 0.00 -3.03 -0.11 0.00 0.10 0.00 0.00 34.13 31.09 2z9t s GLU 44 CO 0.00 0.63 1.65 0.50 0.02 0.00 0.00 175.26 178.06 2z9t s ARG 45 N -0.64 4.15 -0.39 1.61 3.52 -1.26 -0.84 118.95 125.10 2z9t s ARG 45 Ca 0.11 2.53 -0.25 0.00 -0.13 0.00 0.00 55.73 57.99 2z9t s ARG 45 Cb -0.12 -3.09 0.02 0.00 -1.56 0.00 0.00 34.95 30.20 2z9t s ARG 45 CO 0.02 -0.68 0.90 0.42 -0.81 0.00 0.00 175.30 175.15 2z9t s ILE 46 N 0.94 4.58 0.19 4.11 1.01 0.16 -4.86 121.20 127.34 2z9t s ILE 46 Ca 0.71 1.04 -0.04 0.00 0.00 0.00 0.00 60.65 62.37 2z9t s ILE 46 Cb -0.48 -4.34 -0.04 0.00 0.01 0.00 0.00 42.46 37.62 2z9t s ILE 46 CO 0.35 -0.59 1.52 -0.33 0.00 0.00 0.00 174.94 175.89 2z9t h GLU 47 N 8.61 0.60 -4.11 2.79 4.39 -1.92 -3.40 114.58 121.53 2z9t h GLU 47 Ca -0.24 -0.35 -0.76 0.00 0.34 0.00 0.00 59.36 58.35 2z9t h GLU 47 Cb 1.08 0.03 -0.24 0.00 -0.10 0.00 0.00 28.75 29.52 2z9t h GLU 47 CO 0.98 0.96 -0.20 0.21 -1.16 0.00 0.00 179.01 179.80 2z9t s LYS 48 N -4.10 3.00 -0.26 2.33 2.20 -1.26 -5.00 119.74 116.65 2z9t s LYS 48 Ca -0.08 -1.70 0.02 0.00 -0.36 0.00 0.00 55.97 53.85 2z9t s LYS 48 Cb 0.11 -4.30 0.05 0.00 -1.51 0.00 0.00 37.83 32.19 2z9t s LYS 48 CO 0.84 -1.34 -0.10 0.08 -0.36 0.00 0.00 175.35 174.47 2z9t s VAL 49 N 1.64 2.31 -0.06 4.02 1.01 -1.26 -4.96 120.40 123.09 2z9t s VAL 49 Ca 0.03 -1.53 0.21 0.00 0.00 0.00 0.00 61.98 60.69 2z9t s VAL 49 Cb -0.30 -2.32 0.19 0.00 0.00 0.00 0.00 36.38 33.95 2z9t s VAL 49 CO 0.03 0.01 1.66 -0.33 0.00 0.00 0.00 175.10 176.47 2z9t h GLU 50 N 7.82 0.00 -4.69 2.72 5.08 -1.95 -3.45 114.58 120.12 2z9t h GLU 50 Ca -0.22 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.60 2z9t h GLU 50 Cb 1.05 0.00 -0.33 0.00 0.50 0.00 0.00 28.75 29.97 2z9t h GLU 50 CO 0.49 0.29 -0.82 -1.01 -1.00 0.00 0.00 179.01 176.95 2z9t s HIS 51 N -3.33 1.62 -0.34 4.33 3.76 -0.82 -5.05 115.29 115.46 2z9t s HIS 51 Ca 0.03 -0.60 0.02 0.00 -0.15 0.00 0.00 55.06 54.35 2z9t s HIS 51 Cb 0.08 -1.16 0.15 0.00 1.11 0.00 0.00 32.58 32.76 2z9t s HIS 51 CO 0.68 -0.29 0.33 0.45 -0.85 0.00 0.00 174.74 175.06 2z9t s SER 52 N 0.59 1.53 -0.35 1.40 0.15 -1.26 -1.45 113.70 114.32 2z9t s SER 52 Ca -0.15 -1.36 -0.09 0.00 0.70 0.00 0.00 55.95 55.06 2z9t s SER 52 Cb -0.16 0.44 0.03 0.00 -1.71 0.00 0.00 66.02 64.62 2z9t s SER 52 CO 0.04 -0.31 0.15 -1.81 1.20 0.00 0.00 173.24 172.51 2z9t s ASP 53 N 1.72 5.49 -0.08 5.45 1.01 0.08 -4.96 116.67 125.37 2z9t s ASP 53 Ca 0.14 -0.96 -0.01 0.00 0.71 0.00 0.00 52.55 52.44 2z9t s ASP 53 Cb -0.16 -1.95 -0.03 0.00 1.01 0.00 0.00 42.92 41.79 2z9t s ASP 53 CO -0.13 -0.32 -0.03 -0.22 0.21 0.00 0.00 175.17 174.68 2z9t s LEU 54 N 1.50 3.41 0.22 1.23 2.96 -1.26 -1.23 118.68 125.51 2z9t s LEU 54 Ca 0.01 0.07 -0.07 0.00 -0.22 0.00 0.00 54.13 53.92 2z9t s LEU 54 Cb -0.19 -1.77 -0.02 0.00 0.50 0.00 0.00 46.19 44.71 2z9t s LEU 54 CO 0.05 0.36 0.31 -0.94 -1.32 0.00 0.00 176.35 174.81 2z9t s SER 55 N -0.79 0.03 0.07 3.68 1.04 -0.34 -5.01 113.70 112.38 2z9t s SER 55 Ca 0.12 -1.13 0.01 0.00 0.48 0.00 0.00 55.95 55.44 2z9t s SER 55 Cb -0.11 0.48 -0.04 0.00 0.10 0.00 0.00 66.02 66.46 2z9t s SER 55 CO 0.02 -0.99 -0.06 0.72 0.98 0.00 0.00 173.24 173.91 2z9t s PHE 56 N -4.08 0.72 0.49 5.02 -0.71 -1.26 -1.08 117.98 117.09 2z9t s PHE 56 Ca 0.29 -0.81 0.09 0.00 -1.04 0.00 0.00 56.93 55.46 2z9t s PHE 56 Cb 0.03 -0.44 0.04 0.00 -1.21 0.00 0.00 43.02 41.44 2z9t s PHE 56 CO 0.10 -0.18 0.64 -1.54 -1.34 0.00 0.00 175.22 172.90 2z9t s SER 57 N -2.53 5.32 0.38 1.98 1.04 -0.36 -4.98 113.70 114.55 2z9t s SER 57 Ca 0.03 -0.67 0.11 0.00 0.48 0.00 0.00 55.95 55.90 2z9t s SER 57 Cb 0.01 -0.18 0.90 0.00 0.10 0.00 0.00 66.02 66.85 2z9t s SER 57 CO -0.04 -1.02 1.90 0.50 0.98 0.00 0.00 173.24 175.55 2z9t h LYS 58 N 0.47 0.58 -0.05 4.02 3.64 -2.02 -1.21 116.57 122.00 2z9t h LYS 58 Ca -0.35 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 2z9t h LYS 58 Cb 1.28 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 2z9t h LYS 58 CO 0.45 0.38 0.00 -0.40 -2.27 0.00 0.00 179.45 177.61 2z9t n ASP 59 N -4.52 1.14 0.00 4.20 5.75 -1.26 -4.92 116.55 116.94 2z9t n ASP 59 Ca 0.15 -1.46 0.00 0.00 -0.01 0.00 0.00 54.79 53.47 2z9t n ASP 59 Cb 0.46 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.52 2z9t n ASP 59 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2z9t n GLY 60 N 1.09 0.72 3.79 6.12 0.00 -0.45 -5.06 105.19 111.40 2z9t n GLY 60 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 2z9t n GLY 60 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2z9t s SER 61 N -2.60 6.35 0.16 1.61 0.01 -1.26 -4.80 113.70 113.18 2z9t s SER 61 Ca 0.00 2.00 0.06 0.00 1.31 0.00 0.00 55.95 59.32 2z9t s SER 61 Cb 0.00 -2.57 -0.04 0.00 0.21 0.00 0.00 66.02 63.62 2z9t s SER 61 CO 0.00 -0.77 0.04 -0.36 0.41 0.00 0.00 173.24 172.56 2z9t s PHE 62 N -1.87 2.96 -0.03 2.43 0.40 -0.12 -1.22 117.98 120.52 2z9t s PHE 62 Ca 0.66 -0.09 0.00 0.00 -0.60 0.00 0.00 56.93 56.90 2z9t s PHE 62 Cb -0.19 -1.44 0.03 0.00 0.51 0.00 0.00 43.02 41.93 2z9t s PHE 62 CO 0.23 0.52 0.01 0.71 0.70 0.00 0.00 175.22 177.38 2z9t s TYR 63 N -1.70 0.31 -0.09 0.36 2.02 -0.24 -0.88 117.35 117.13 2z9t s TYR 63 Ca 0.28 0.01 0.01 0.00 -0.37 0.00 0.00 57.07 57.01 2z9t s TYR 63 Cb -0.10 -0.44 0.02 0.00 -0.40 0.00 0.00 41.96 41.04 2z9t s TYR 63 CO 0.20 -0.15 -0.12 -1.17 -1.57 0.00 0.00 175.55 172.75 2z9t s LEU 64 N 1.19 1.54 -0.25 -1.29 2.96 0.52 -1.20 118.68 122.15 2z9t s LEU 64 Ca -0.07 -0.33 -0.05 0.00 -0.22 0.00 0.00 54.13 53.45 2z9t s LEU 64 Cb -0.13 -0.90 -0.01 0.00 0.50 0.00 0.00 46.19 45.66 2z9t s LEU 64 CO -0.02 -0.01 0.02 -0.22 -1.32 0.00 0.00 176.35 174.79 2z9t s LEU 65 N 1.04 3.31 -0.20 -0.68 2.96 -0.37 -0.70 118.68 124.04 2z9t s LEU 65 Ca -0.07 -0.48 0.01 0.00 -0.22 0.00 0.00 54.13 53.37 2z9t s LEU 65 Cb -0.15 -1.81 0.04 0.00 0.50 0.00 0.00 46.19 44.77 2z9t s LEU 65 CO -0.01 -0.08 -0.13 -0.47 -1.32 0.00 0.00 176.35 174.34 2z9t s TYR 66 N 1.50 2.63 0.08 5.38 5.04 -0.44 -0.74 117.35 130.80 2z9t s TYR 66 Ca 0.05 -1.70 -0.17 0.00 -2.44 0.00 0.00 57.07 52.80 2z9t s TYR 66 Cb -0.15 -1.75 0.04 0.00 0.35 0.00 0.00 41.96 40.44 2z9t s TYR 66 CO -0.00 -0.78 0.42 1.52 -1.34 0.00 0.00 175.55 175.37 2z9t s TYR 67 N 1.33 -0.25 0.04 4.97 -0.85 -0.53 -0.32 117.35 121.74 2z9t s TYR 67 Ca -0.01 0.08 -0.27 0.00 -0.52 0.00 0.00 57.07 56.36 2z9t s TYR 67 Cb -0.16 0.25 0.07 0.00 0.38 0.00 0.00 41.96 42.51 2z9t s TYR 67 CO -0.09 -0.64 0.67 -0.08 -1.52 0.00 0.00 175.55 173.89 2z9t s THR 68 N -3.11 0.00 0.32 -3.49 -1.32 -0.91 -1.94 115.64 105.20 2z9t s THR 68 Ca -0.01 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.18 2z9t s THR 68 Cb 0.00 -1.00 -0.10 0.00 -1.51 0.00 0.00 72.50 69.89 2z9t s THR 68 CO -0.07 0.00 1.32 -0.70 -2.21 0.00 0.00 174.62 172.96 2z9t s GLU 69 N -2.48 4.34 0.17 7.08 2.12 -1.26 -1.10 118.70 127.57 2z9t s GLU 69 Ca -0.04 2.23 -0.11 0.00 0.36 0.00 0.00 54.97 57.41 2z9t s GLU 69 Cb -0.01 -3.07 -0.00 0.00 0.26 0.00 0.00 34.13 31.31 2z9t s GLU 69 CO -0.02 -0.22 0.33 -0.59 -0.54 0.00 0.00 175.26 174.22 2z9t s PHE 70 N -1.02 0.30 -0.45 5.30 -0.71 -0.22 -4.85 117.98 116.33 2z9t s PHE 70 Ca 0.50 -0.66 0.02 0.00 -1.04 0.00 0.00 56.93 55.75 2z9t s PHE 70 Cb -0.40 0.03 0.13 0.00 -1.21 0.00 0.00 43.02 41.57 2z9t s PHE 70 CO 0.52 -0.76 0.24 0.99 -1.34 0.00 0.00 175.22 174.87 2z9t s THR 71 N -3.95 1.49 0.68 -4.49 2.01 -1.26 -4.23 115.64 105.89 2z9t s THR 71 Ca 0.16 -2.61 -0.14 0.00 0.31 0.00 0.00 61.69 59.41 2z9t s THR 71 Cb 0.02 -2.04 0.01 0.00 0.01 0.00 0.00 72.50 70.50 2z9t s THR 71 CO -0.00 -0.89 1.11 -2.16 -0.69 0.00 0.00 174.62 171.99 2z9t s PRO 72 N 0.31 2.71 0.17 4.92 0.04 -1.26 -5.07 135.00 136.82 2z9t s PRO 72 Ca 0.18 1.36 0.02 0.00 0.04 0.00 0.00 61.00 62.60 2z9t s PRO 72 Cb -0.24 -1.94 -0.05 0.00 0.04 0.00 0.00 34.50 32.31 2z9t s PRO 72 CO 0.00 -1.32 -0.02 0.95 0.04 0.00 0.00 177.00 176.66 2z9t s THR 73 N -2.42 0.81 0.32 1.26 -4.23 -1.26 -5.06 115.64 105.06 2z9t s THR 73 Ca 0.66 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 59.22 2z9t s THR 73 Cb -0.20 -2.07 0.30 0.00 1.34 0.00 0.00 72.50 71.86 2z9t s THR 73 CO 0.44 -0.53 1.88 -0.08 -0.54 0.00 0.00 174.62 175.79 2z9t h GLU 74 N 2.70 0.86 0.00 3.99 4.81 -2.04 -2.48 114.58 122.42 2z9t h GLU 74 Ca -0.37 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 58.75 2z9t h GLU 74 Cb 1.20 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.38 2z9t h GLU 74 CO 0.63 0.57 -0.29 0.87 -0.73 0.00 0.00 179.01 180.06 2z9t h LYS 75 N 0.89 0.00 -5.87 1.92 1.57 -2.03 -3.44 116.57 109.61 2z9t h LYS 75 Ca 0.43 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.61 2z9t h LYS 75 Cb 0.46 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.70 2z9t h LYS 75 CO -0.19 0.29 -0.22 -0.51 -0.57 0.00 0.00 179.45 178.25 2z9t s ASP 76 N -6.67 6.72 -0.10 0.86 1.01 -0.93 -5.06 116.67 112.49 2z9t s ASP 76 Ca -0.02 0.85 -0.02 0.00 0.71 0.00 0.00 52.55 54.06 2z9t s ASP 76 Cb 0.14 -2.24 -0.03 0.00 1.01 0.00 0.00 42.92 41.80 2z9t s ASP 76 CO 0.68 0.24 -0.01 -1.61 0.21 0.00 0.00 175.17 174.68 2z9t s GLU 77 N -0.55 3.13 0.20 8.23 2.02 -1.26 -4.70 118.70 125.75 2z9t s GLU 77 Ca 0.23 -0.44 0.10 0.00 0.02 0.00 0.00 54.97 54.87 2z9t s GLU 77 Cb -0.16 -2.81 -0.04 0.00 0.10 0.00 0.00 34.13 31.22 2z9t s GLU 77 CO 0.11 0.59 -0.20 0.71 0.02 0.00 0.00 175.26 176.49 2z9t s TYR 78 N -0.58 2.02 0.23 1.61 1.51 -1.26 -0.34 117.35 120.54 2z9t s TYR 78 Ca 0.09 -0.43 -0.19 0.00 -1.01 0.00 0.00 57.07 55.54 2z9t s TYR 78 Cb -0.12 -0.97 0.03 0.00 -0.11 0.00 0.00 41.96 40.78 2z9t s TYR 78 CO 0.02 0.45 0.60 0.00 -1.11 0.00 0.00 175.55 175.51 2z9t s ALA 79 N -2.11 -1.03 -0.12 3.71 0.00 -0.87 -0.88 121.76 120.45 2z9t s ALA 79 Ca 0.20 -0.27 0.03 0.00 0.00 0.00 0.00 51.96 51.92 2z9t s ALA 79 Cb -0.06 0.89 0.00 0.00 0.00 0.00 0.00 23.12 23.95 2z9t s ALA 79 CO 0.09 -0.90 -0.21 0.00 0.00 0.00 0.00 175.76 174.74 2z9t s ARG 81 N 0.58 3.31 -0.07 0.00 3.52 0.30 -0.72 118.95 125.87 2z9t s ARG 81 Ca -0.12 -0.67 0.04 0.00 -0.13 0.00 0.00 55.73 54.85 2z9t s ARG 81 Cb -0.17 -2.84 -0.00 0.00 -1.56 0.00 0.00 34.95 30.38 2z9t s ARG 81 CO 0.04 -0.10 -0.21 0.08 -0.81 0.00 0.00 175.30 174.29 2z9t s VAL 82 N 1.16 1.82 -0.03 7.11 1.01 0.02 -1.45 120.40 130.04 2z9t s VAL 82 Ca 0.02 -0.90 0.06 0.00 0.00 0.00 0.00 61.98 61.16 2z9t s VAL 82 Cb -0.14 -1.57 -0.01 0.00 0.00 0.00 0.00 36.38 34.66 2z9t s VAL 82 CO -0.03 0.51 -0.22 0.21 0.00 0.00 0.00 175.10 175.57 2z9t s ASN 83 N 0.20 2.65 0.08 3.32 2.47 -0.46 -0.75 114.94 122.44 2z9t s ASN 83 Ca -0.12 -0.42 -0.21 0.00 0.42 0.00 0.00 52.86 52.54 2z9t s ASN 83 Cb -0.15 -0.43 0.05 0.00 -1.45 0.00 0.00 41.25 39.27 2z9t s ASN 83 CO 0.06 0.26 0.49 -2.28 -3.72 0.00 0.00 177.10 171.90 2z9t s HIS 84 N -0.39 -0.37 0.59 0.43 5.65 -1.26 -1.80 115.29 118.12 2z9t s HIS 84 Ca 0.05 0.31 0.29 0.00 0.25 0.00 0.00 55.06 55.95 2z9t s HIS 84 Cb -0.10 0.34 1.73 0.00 -1.18 0.00 0.00 32.58 33.37 2z9t s HIS 84 CO 0.00 -0.67 2.19 -0.39 -0.65 0.00 0.00 174.74 175.23 2z9t h VAL 85 N 2.64 0.53 0.00 0.89 -1.51 -1.95 -0.61 116.25 116.24 2z9t h VAL 85 Ca -0.32 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.15 2z9t h VAL 85 Cb 1.23 0.94 0.00 0.00 -2.13 0.00 0.00 31.29 31.33 2z9t h VAL 85 CO 0.42 0.00 0.00 0.35 -1.23 0.00 0.00 177.57 177.11 2z9t n THR 86 N -3.87 0.24 -4.47 7.19 -2.24 -1.26 -4.75 114.28 105.11 2z9t n THR 86 Ca -0.01 0.06 -0.34 0.00 -2.27 0.00 0.00 64.05 61.49 2z9t n THR 86 Cb 0.17 -0.64 -0.14 0.00 -2.10 0.00 0.00 70.33 67.63 2z9t n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2z9t s LEU 87 N -2.78 2.93 0.26 3.22 1.43 -0.24 -4.99 118.68 118.51 2z9t s LEU 87 Ca 0.18 -0.27 0.25 0.00 -1.03 0.00 0.00 54.13 53.26 2z9t s LEU 87 Cb 0.17 -1.69 0.62 0.00 0.03 0.00 0.00 46.19 45.32 2z9t s LEU 87 CO 0.42 0.13 1.67 0.77 0.23 0.00 0.00 176.35 179.57 2z9t h SER 88 N 7.00 0.00 -5.12 2.29 4.64 -1.85 -3.44 113.55 117.07 2z9t h SER 88 Ca -0.31 -0.02 -0.13 0.00 -0.47 0.00 0.00 61.79 60.86 2z9t h SER 88 Cb 1.19 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.11 2z9t h SER 88 CO 0.59 0.01 -0.61 0.00 -0.87 0.00 0.00 176.83 175.95 2z9t s GLN 89 N -3.14 0.55 0.35 4.77 -2.07 -1.26 -5.13 119.66 113.72 2z9t s GLN 89 Ca 0.09 -0.88 -0.28 0.00 -1.82 0.00 0.00 55.36 52.47 2z9t s GLN 89 Cb 0.11 0.20 -0.12 0.00 -1.09 0.00 0.00 33.01 32.11 2z9t s GLN 89 CO 0.63 -0.12 1.33 -2.30 -1.32 0.00 0.00 175.29 173.51 2z9t n PRO 90 N 0.70 2.23 -3.48 9.60 -0.02 -1.26 -4.94 135.00 137.82 2z9t n PRO 90 Ca -0.18 0.78 -0.38 0.00 -2.02 0.00 0.00 63.50 61.70 2z9t n PRO 90 Cb 0.59 -2.39 -0.09 0.00 -0.02 0.00 0.00 33.50 31.59 2z9t n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2z9t s LYS 91 N -1.93 4.08 -0.27 -0.52 2.20 0.07 -4.93 119.74 118.44 2z9t s LYS 91 Ca 0.55 -0.02 -0.06 0.00 -0.36 0.00 0.00 55.97 56.08 2z9t s LYS 91 Cb -0.55 -3.58 0.00 0.00 -1.51 0.00 0.00 37.83 32.19 2z9t s LYS 91 CO 0.63 -0.09 0.04 0.42 -0.36 0.00 0.00 175.35 175.98 2z9t s ILE 92 N 1.50 3.79 -0.30 5.43 1.01 -1.26 -0.80 121.20 130.58 2z9t s ILE 92 Ca 0.14 -0.61 -0.08 0.00 0.00 0.00 0.00 60.65 60.10 2z9t s ILE 92 Cb -0.15 -2.89 0.00 0.00 0.01 0.00 0.00 42.46 39.44 2z9t s ILE 92 CO 0.08 0.19 0.10 -0.69 0.00 0.00 0.00 174.94 174.62 2z9t s VAL 93 N 1.49 4.15 0.29 2.92 1.01 0.10 -4.96 120.40 125.41 2z9t s VAL 93 Ca 0.03 -0.60 -0.28 0.00 0.00 0.00 0.00 61.98 61.13 2z9t s VAL 93 Cb -0.16 -3.13 -0.09 0.00 0.00 0.00 0.00 36.38 33.00 2z9t s VAL 93 CO 0.01 0.09 0.97 -0.54 0.00 0.00 0.00 175.10 175.63 2z9t s LYS 94 N 1.54 4.67 -0.12 2.72 1.02 -1.26 -0.70 119.74 127.60 2z9t s LYS 94 Ca 0.03 1.48 -0.29 0.00 0.02 0.00 0.00 55.97 57.21 2z9t s LYS 94 Cb -0.17 -3.03 -0.02 0.00 -0.52 0.00 0.00 37.83 34.09 2z9t s LYS 94 CO 0.03 0.33 1.24 -0.46 -0.92 0.00 0.00 175.35 175.58 2z9t s TRP 95 N -1.37 2.97 -0.29 3.18 -0.00 -0.06 -4.90 118.94 118.46 2z9t s TRP 95 Ca 0.46 1.08 -0.29 0.00 -0.00 0.00 0.00 56.10 57.35 2z9t s TRP 95 Cb -0.24 -3.48 0.01 0.00 -0.00 0.00 0.00 33.47 29.76 2z9t s TRP 95 CO 0.30 -1.57 1.15 0.34 -0.00 0.00 0.00 176.95 177.17 2z9t s ASP 96 N 1.79 6.88 0.41 5.86 -1.08 -1.26 -4.73 116.67 124.54 2z9t s ASP 96 Ca 0.55 1.19 0.28 0.00 -0.52 0.00 0.00 52.55 54.06 2z9t s ASP 96 Cb -0.23 -2.54 1.48 0.00 -1.46 0.00 0.00 42.92 40.17 2z9t s ASP 96 CO 0.17 -0.90 1.86 0.08 0.52 0.00 0.00 175.17 176.91 2z9t h ARG 97 N 8.35 0.00 -0.01 4.34 0.11 -1.97 0.33 114.38 125.52 2z9t h ARG 97 Ca -0.22 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.86 2z9t h ARG 97 Cb 1.07 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.15 2z9t h ARG 97 CO 1.02 0.00 -0.13 -0.25 0.10 0.00 0.00 179.97 180.72 2z9t n ASP 98 N -2.51 0.86 -0.96 0.08 8.00 -1.26 -5.08 116.55 115.69 2z9t n ASP 98 Ca -0.01 -0.93 0.12 0.00 0.71 0.00 0.00 54.79 54.68 2z9t n ASP 98 Cb 0.08 0.02 0.10 0.00 -0.02 0.00 0.00 41.12 41.30 2z9t n ASP 98 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61