#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1z9n s LYS 24 N 0.00 0.83 -0.21 5.31 -2.85 -1.26 -4.56 119.74 117.00 1z9n s LYS 24 Ca 0.00 -1.03 -0.06 0.00 -1.00 0.00 0.00 55.97 53.88 1z9n s LYS 24 Cb 0.00 0.32 -0.03 0.00 -2.06 0.00 0.00 37.83 36.06 1z9n s LYS 24 CO 0.00 -0.25 0.04 0.42 0.10 0.00 0.00 175.35 175.65 1z9n s ILE 25 N -3.88 4.24 -0.36 3.79 1.01 -0.45 -4.95 121.20 120.59 1z9n s ILE 25 Ca 0.07 -0.21 -0.16 0.00 0.00 0.00 0.00 60.65 60.35 1z9n s ILE 25 Cb 0.05 -2.94 -0.00 0.00 0.01 0.00 0.00 42.46 39.58 1z9n s ILE 25 CO -0.10 0.40 0.39 -0.69 0.00 0.00 0.00 174.94 174.94 1z9n s VAL 26 N 1.09 5.14 -0.31 2.92 1.01 -1.26 -0.37 120.40 128.61 1z9n s VAL 26 Ca 0.03 -0.02 -0.13 0.00 0.00 0.00 0.00 61.98 61.87 1z9n s VAL 26 Cb -0.14 -3.88 -0.03 0.00 0.00 0.00 0.00 36.38 32.33 1z9n s VAL 26 CO 0.02 -0.17 0.25 -0.69 0.00 0.00 0.00 175.10 174.51 1z9n s VAL 27 N 2.07 5.27 0.12 2.92 1.01 0.65 -4.91 120.40 127.52 1z9n s VAL 27 Ca 0.12 0.03 -0.30 0.00 0.00 0.00 0.00 61.98 61.83 1z9n s VAL 27 Cb -0.17 -3.66 -0.06 0.00 0.00 0.00 0.00 36.38 32.49 1z9n s VAL 27 CO 0.12 0.09 1.01 -2.16 0.00 0.00 0.00 175.10 174.16 1z9n s PRO 28 N 1.81 4.65 -0.02 2.72 0.04 -1.26 -1.11 135.00 141.83 1z9n s PRO 28 Ca 0.08 1.53 0.07 0.00 0.04 0.00 0.00 61.00 62.72 1z9n s PRO 28 Cb -0.17 -3.36 -0.02 0.00 0.04 0.00 0.00 34.50 31.00 1z9n s PRO 28 CO 0.11 0.14 -0.24 0.08 0.04 0.00 0.00 177.00 177.13 1z9n s VAL 29 N 0.06 1.87 0.04 -0.36 1.01 -0.39 -4.13 120.40 118.50 1z9n s VAL 29 Ca 0.49 -1.00 0.09 0.00 0.00 0.00 0.00 61.98 61.55 1z9n s VAL 29 Cb -0.25 -1.55 -0.03 0.00 0.00 0.00 0.00 36.38 34.55 1z9n s VAL 29 CO 0.31 0.53 -0.24 -1.10 0.00 0.00 0.00 175.10 174.59 1z9n s GLN 30 N -0.48 1.68 0.11 2.72 -0.21 -0.40 -2.05 119.66 121.03 1z9n s GLN 30 Ca 0.07 -1.04 -0.30 0.00 0.02 0.00 0.00 55.36 54.11 1z9n s GLN 30 Cb -0.10 -1.83 -0.06 0.00 1.00 0.00 0.00 33.01 32.02 1z9n s GLN 30 CO -0.00 0.47 1.12 -1.14 -2.12 0.00 0.00 175.29 173.62 1z9n s GLN 31 N -1.17 4.52 -0.21 2.91 0.74 0.12 -1.23 119.66 125.34 1z9n s GLN 31 Ca 0.10 1.70 -0.14 0.00 0.05 0.00 0.00 55.36 57.07 1z9n s GLN 31 Cb -0.10 -3.33 -0.04 0.00 1.10 0.00 0.00 33.01 30.64 1z9n s GLN 31 CO 0.02 -0.08 0.32 -0.51 -0.55 0.00 0.00 175.29 174.49 1z9n s LEU 32 N 0.41 4.15 -0.33 3.68 1.43 0.04 -1.50 118.68 126.55 1z9n s LEU 32 Ca 0.54 0.39 0.01 0.00 -1.03 0.00 0.00 54.13 54.04 1z9n s LEU 32 Cb -0.28 -2.38 0.15 0.00 0.03 0.00 0.00 46.19 43.71 1z9n s LEU 32 CO 0.32 -0.02 0.34 -0.62 0.23 0.00 0.00 176.35 176.60 1z9n s ASP 33 N 1.01 1.32 0.41 2.29 -1.08 -1.26 -4.92 116.67 114.44 1z9n s ASP 33 Ca 0.15 -1.12 0.29 0.00 -0.52 0.00 0.00 52.55 51.36 1z9n s ASP 33 Cb -0.14 0.59 1.35 0.00 -1.46 0.00 0.00 42.92 43.25 1z9n s ASP 33 CO 0.07 -0.32 1.87 -0.65 0.52 0.00 0.00 175.17 176.65 1z9n h PRO 34 N 7.68 0.00 0.07 4.34 0.11 -1.92 0.81 132.00 143.09 1z9n h PRO 34 Ca -0.04 0.00 -0.37 0.00 0.11 0.00 0.00 66.00 65.70 1z9n h PRO 34 Cb 1.07 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.14 1z9n h PRO 34 CO 0.27 0.00 -2.15 1.04 -0.21 0.00 0.00 178.00 176.95 1z9n n GLN 35 N -2.59 0.71 -0.00 1.05 1.13 -1.26 -4.61 117.38 111.82 1z9n n GLN 35 Ca 0.00 0.24 0.06 0.00 -1.94 0.00 0.00 57.00 55.36 1z9n n GLN 35 Cb 0.18 -1.64 -0.07 0.00 0.11 0.00 0.00 30.24 28.82 1z9n n GLN 35 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1z9n n ASN 36 N -3.47 0.64 0.00 1.08 3.02 -1.20 -5.09 115.26 110.25 1z9n n ASN 36 Ca -0.37 -0.76 0.00 0.00 -0.03 0.00 0.00 54.58 53.42 1z9n n ASN 36 Cb 1.01 1.02 0.00 0.00 -0.61 0.00 0.00 39.78 41.20 1z9n n ASN 36 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1z9n n GLY 37 N 1.31 2.57 3.75 7.41 0.00 0.27 -5.07 105.19 115.43 1z9n n GLY 37 Ca 0.02 -1.56 -0.31 0.00 0.00 0.00 0.00 46.02 44.17 1z9n n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1z9n s ASN 38 N 0.00 4.19 -0.02 1.61 0.01 -1.23 -4.32 114.94 115.17 1z9n s ASN 38 Ca 0.00 1.90 0.06 0.00 -0.71 0.00 0.00 52.86 54.11 1z9n s ASN 38 Cb 0.00 -2.53 -0.01 0.00 0.41 0.00 0.00 41.25 39.12 1z9n s ASN 38 CO 0.00 -2.25 -0.19 -0.54 -1.51 0.00 0.00 177.10 172.61 1z9n s LYS 39 N -4.85 1.65 0.00 -0.60 1.02 -0.56 -4.96 119.74 111.44 1z9n s LYS 39 Ca 0.62 -0.68 -0.30 0.00 0.02 0.00 0.00 55.97 55.63 1z9n s LYS 39 Cb -0.18 -1.55 -0.04 0.00 -0.52 0.00 0.00 37.83 35.54 1z9n s LYS 39 CO 0.56 0.38 1.15 -0.51 -0.92 0.00 0.00 175.35 176.02 1z9n s ASP 40 N -0.35 7.13 -0.04 2.83 1.01 -1.26 0.13 116.67 126.11 1z9n s ASP 40 Ca 0.05 1.86 0.06 0.00 0.71 0.00 0.00 52.55 55.23 1z9n s ASP 40 Cb -0.08 -2.57 0.09 0.00 1.01 0.00 0.00 42.92 41.37 1z9n s ASP 40 CO -0.00 -0.47 0.97 1.33 0.21 0.00 0.00 175.17 177.21 1z9n n VAL 41 N 4.19 0.99 0.00 -1.27 0.24 -0.87 -4.88 118.33 116.72 1z9n n VAL 41 Ca 0.09 -1.11 0.00 0.00 -2.04 0.00 0.00 64.34 61.28 1z9n n VAL 41 Cb 0.47 0.34 0.00 0.00 -1.47 0.00 0.00 33.84 33.18 1z9n n VAL 41 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1z9n n GLY 42 N -0.65 0.14 3.19 7.63 0.00 -1.24 -0.80 105.19 113.45 1z9n n GLY 42 Ca 0.05 -1.96 -0.11 0.00 0.00 0.00 0.00 46.02 44.00 1z9n n GLY 42 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1z9n s THR 43 N 0.00 0.34 -0.08 2.61 -4.23 -0.89 -1.26 115.64 112.13 1z9n s THR 43 Ca 0.00 -1.93 0.03 0.00 -1.18 0.00 0.00 61.69 58.61 1z9n s THR 43 Cb 0.00 -2.06 0.00 0.00 1.34 0.00 0.00 72.50 71.78 1z9n s THR 43 CO 0.00 -0.48 -0.19 -0.69 -0.54 0.00 0.00 174.62 172.72 1z9n s VAL 44 N -3.89 1.65 -0.19 2.29 1.01 -0.26 -0.17 120.40 120.84 1z9n s VAL 44 Ca 0.24 -0.79 -0.11 0.00 0.00 0.00 0.00 61.98 61.32 1z9n s VAL 44 Cb 0.07 -1.44 -0.05 0.00 0.00 0.00 0.00 36.38 34.96 1z9n s VAL 44 CO 0.02 0.47 0.17 -1.61 0.00 0.00 0.00 175.10 174.15 1z9n s GLU 45 N 0.42 4.18 -0.16 2.72 2.02 -0.15 -0.25 118.70 127.47 1z9n s GLU 45 Ca -0.15 -0.15 -0.05 0.00 0.02 0.00 0.00 54.97 54.64 1z9n s GLU 45 Cb -0.16 -3.41 -0.03 0.00 0.10 0.00 0.00 34.13 30.62 1z9n s GLU 45 CO 0.06 0.30 -0.01 0.42 0.02 0.00 0.00 175.26 176.05 1z9n s ILE 46 N 0.34 4.14 0.11 -1.63 1.01 0.50 -0.57 121.20 125.09 1z9n s ILE 46 Ca 0.10 -0.27 0.02 0.00 0.00 0.00 0.00 60.65 60.50 1z9n s ILE 46 Cb -0.11 -2.83 -0.04 0.00 0.01 0.00 0.00 42.46 39.48 1z9n s ILE 46 CO -0.00 0.49 -0.07 0.42 0.00 0.00 0.00 174.94 175.77 1z9n s THR 47 N 0.34 0.79 0.01 2.92 -4.23 -0.55 -1.34 115.64 113.57 1z9n s THR 47 Ca -0.02 -1.97 -0.17 0.00 -1.18 0.00 0.00 61.69 58.35 1z9n s THR 47 Cb -0.14 -1.75 -0.06 0.00 1.34 0.00 0.00 72.50 71.89 1z9n s THR 47 CO 0.02 -0.82 0.49 -1.61 -0.54 0.00 0.00 174.62 172.17 1z9n s GLU 48 N -3.82 4.12 0.43 3.99 2.02 -1.26 -0.43 118.70 123.75 1z9n s GLU 48 Ca 0.14 0.56 0.06 0.00 0.02 0.00 0.00 54.97 55.75 1z9n s GLU 48 Cb 0.05 -3.27 -0.07 0.00 0.10 0.00 0.00 34.13 30.94 1z9n s GLU 48 CO -0.03 0.55 0.01 -1.54 0.02 0.00 0.00 175.26 174.27 1z9n s SER 49 N -0.72 3.93 0.00 -0.19 1.04 -0.60 -4.90 113.70 112.26 1z9n s SER 49 Ca 0.27 -1.42 0.10 0.00 0.48 0.00 0.00 55.95 55.38 1z9n s SER 49 Cb -0.18 -0.23 0.50 0.00 0.10 0.00 0.00 66.02 66.22 1z9n s SER 49 CO 0.15 -0.52 1.23 0.00 0.98 0.00 0.00 173.24 175.08 1z9n n ALA 50 N -1.03 1.62 -0.77 5.32 0.00 -1.26 -2.71 120.51 121.68 1z9n n ALA 50 Ca -0.08 -0.05 0.02 0.00 0.00 0.00 0.00 53.44 53.34 1z9n n ALA 50 Cb 0.67 -1.17 0.03 0.00 0.00 0.00 0.00 19.45 18.98 1z9n n ALA 50 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1z9n n TYR 51 N -1.32 0.00 0.00 0.00 4.02 -1.26 -5.12 117.16 113.48 1z9n n TYR 51 Ca 0.04 -0.40 0.00 0.00 -0.01 0.00 0.00 57.90 57.54 1z9n n TYR 51 Cb 0.09 -0.06 0.00 0.00 -0.02 0.00 0.00 39.34 39.35 1z9n n TYR 51 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1z9n n GLY 52 N -0.49 0.72 3.74 2.72 0.00 -1.10 -4.25 105.19 106.54 1z9n n GLY 52 Ca 0.03 -2.24 -0.41 0.00 0.00 0.00 0.00 46.02 43.40 1z9n n GLY 52 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1z9n s LEU 53 N 0.00 4.49 -0.16 0.99 1.43 -0.45 -1.56 118.68 123.43 1z9n s LEU 53 Ca 0.00 2.18 -0.04 0.00 -1.03 0.00 0.00 54.13 55.24 1z9n s LEU 53 Cb 0.00 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.58 1z9n s LEU 53 CO 0.00 -0.24 -0.02 -0.69 0.23 0.00 0.00 176.35 175.62 1z9n s VAL 54 N -0.44 4.00 -0.36 -1.59 1.01 0.42 -0.75 120.40 122.69 1z9n s VAL 54 Ca 0.49 -0.32 -0.08 0.00 0.00 0.00 0.00 61.98 62.07 1z9n s VAL 54 Cb -0.31 -2.76 0.04 0.00 0.00 0.00 0.00 36.38 33.35 1z9n s VAL 54 CO 0.37 0.49 0.16 -0.36 0.00 0.00 0.00 175.10 175.75 1z9n s PHE 55 N 0.40 3.26 -0.41 5.22 0.40 0.15 -1.48 117.98 125.51 1z9n s PHE 55 Ca -0.03 -1.28 -0.07 0.00 -0.60 0.00 0.00 56.93 54.95 1z9n s PHE 55 Cb -0.14 -2.40 0.09 0.00 0.51 0.00 0.00 43.02 41.08 1z9n s PHE 55 CO 0.03 -0.71 0.24 0.99 0.70 0.00 0.00 175.22 176.46 1z9n s THR 56 N 1.46 3.96 0.43 0.64 2.01 0.26 -1.30 115.64 123.10 1z9n s THR 56 Ca 0.00 -1.57 -0.22 0.00 0.31 0.00 0.00 61.69 60.21 1z9n s THR 56 Cb -0.20 -3.49 -0.09 0.00 0.01 0.00 0.00 72.50 68.74 1z9n s THR 56 CO 0.04 -0.55 1.03 -2.16 -0.69 0.00 0.00 174.62 172.30 1z9n s PRO 57 N 1.35 4.04 -0.41 4.92 0.04 -1.26 -0.98 135.00 142.70 1z9n s PRO 57 Ca 0.04 1.41 0.09 0.00 0.04 0.00 0.00 61.00 62.58 1z9n s PRO 57 Cb -0.23 -2.34 0.30 0.00 0.04 0.00 0.00 34.50 32.27 1z9n s PRO 57 CO 0.00 -0.23 0.65 1.63 0.04 0.00 0.00 177.00 179.09 1z9n n LYS 58 N -0.46 1.06 -4.25 4.56 5.02 0.76 -4.10 118.16 120.75 1z9n n LYS 58 Ca 0.07 -3.46 -0.27 0.00 -2.02 0.00 0.00 58.31 52.64 1z9n n LYS 58 Cb 0.51 -1.54 -0.08 0.00 -0.02 0.00 0.00 35.03 33.90 1z9n n LYS 58 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1z9n s LEU 59 N -1.91 3.14 0.05 -0.35 1.43 -0.62 -2.09 118.68 118.33 1z9n s LEU 59 Ca 0.38 -0.49 -0.03 0.00 -1.03 0.00 0.00 54.13 52.96 1z9n s LEU 59 Cb 0.25 -1.81 -0.03 0.00 0.03 0.00 0.00 46.19 44.64 1z9n s LEU 59 CO -0.09 0.09 0.02 -1.38 0.23 0.00 0.00 176.35 175.23 1z9n s HIS 60 N -1.73 0.38 -1.46 0.29 -3.43 0.02 -1.51 115.29 107.85 1z9n s HIS 60 Ca 0.26 -0.83 -0.08 0.00 -0.80 0.00 0.00 55.06 53.62 1z9n s HIS 60 Cb -0.09 -0.27 0.03 0.00 -1.43 0.00 0.00 32.58 30.82 1z9n s HIS 60 CO 0.17 -0.38 0.68 -0.25 -2.00 0.00 0.00 174.74 172.96 1z9n n ASP 61 N 0.39 -5.33 -4.96 7.38 8.00 -0.80 -4.64 116.55 116.58 1z9n n ASP 61 Ca -0.16 -0.40 -0.22 0.00 0.71 0.00 0.00 54.79 54.72 1z9n n ASP 61 Cb 0.60 -4.31 -0.02 0.00 -0.02 0.00 0.00 41.12 37.37 1z9n n ASP 61 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1z9n s LEU 62 N -6.77 4.27 0.23 0.64 1.43 -0.69 -5.03 118.68 112.76 1z9n s LEU 62 Ca 0.40 0.14 -0.31 0.00 -1.03 0.00 0.00 54.13 53.34 1z9n s LEU 62 Cb -0.19 -2.94 -0.10 0.00 0.03 0.00 0.00 46.19 42.98 1z9n s LEU 62 CO 0.50 -0.11 1.52 0.00 0.23 0.00 0.00 176.35 178.49 1z9n s ALA 63 N -2.03 3.71 0.61 4.21 0.00 -1.26 -4.19 121.76 122.80 1z9n s ALA 63 Ca 0.35 1.40 -0.18 0.00 0.00 0.00 0.00 51.96 53.53 1z9n s ALA 63 Cb -0.09 -3.60 -0.03 0.00 0.00 0.00 0.00 23.12 19.40 1z9n s ALA 63 CO 0.30 -0.81 1.21 -3.38 0.00 0.00 0.00 175.76 173.08 1z9n s HIS 64 N 0.39 2.35 0.00 0.00 -3.43 -1.26 -4.76 115.29 108.57 1z9n s HIS 64 Ca 0.64 1.52 0.00 0.00 -0.80 0.00 0.00 55.06 56.42 1z9n s HIS 64 Cb -0.44 -3.49 0.00 0.00 -1.43 0.00 0.00 32.58 27.22 1z9n s HIS 64 CO 0.40 -2.29 0.00 0.41 -2.00 0.00 0.00 174.74 171.26 1z9n n GLY 65 N 0.50 2.13 3.58 -1.38 0.00 -0.15 -4.95 105.19 104.93 1z9n n GLY 65 Ca 0.14 -1.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.01 1z9n n GLY 65 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1z9n s LEU 66 N 0.00 4.12 -0.06 0.99 0.20 -1.26 -0.46 118.68 122.21 1z9n s LEU 66 Ca 0.00 0.34 0.04 0.00 0.69 0.00 0.00 54.13 55.20 1z9n s LEU 66 Cb 0.00 -3.04 -0.02 0.00 -0.43 0.00 0.00 46.19 42.70 1z9n s LEU 66 CO 0.00 -0.76 -0.17 -1.00 -0.29 0.00 0.00 176.35 174.13 1z9n s HIS 67 N 3.15 2.63 0.38 5.38 3.76 0.25 -3.76 115.29 127.08 1z9n s HIS 67 Ca 0.32 -0.37 -0.27 0.00 -0.15 0.00 0.00 55.06 54.59 1z9n s HIS 67 Cb -0.13 -1.65 -0.11 0.00 1.11 0.00 0.00 32.58 31.80 1z9n s HIS 67 CO 0.18 0.02 1.25 0.41 -0.85 0.00 0.00 174.74 175.75 1z9n n GLY 68 N 2.65 0.48 2.76 -2.22 0.00 0.02 -0.50 105.19 108.38 1z9n n GLY 68 Ca -0.17 0.26 -0.19 0.00 0.00 0.00 0.00 46.02 45.91 1z9n n GLY 68 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1z9n s PHE 69 N -1.15 -0.19 0.04 1.61 5.36 -1.26 -0.70 117.98 121.69 1z9n s PHE 69 Ca 0.58 0.24 -0.08 0.00 -0.96 0.00 0.00 56.93 56.71 1z9n s PHE 69 Cb -0.55 -0.38 -0.00 0.00 -0.34 0.00 0.00 43.02 41.75 1z9n s PHE 69 CO 0.60 -0.51 0.16 -1.01 -1.46 0.00 0.00 175.22 173.00 1z9n s HIS 70 N 2.29 0.10 -0.11 10.12 3.76 -0.65 -2.73 115.29 128.08 1z9n s HIS 70 Ca 0.05 -0.33 -0.23 0.00 -0.15 0.00 0.00 55.06 54.40 1z9n s HIS 70 Cb -0.15 -0.07 -0.03 0.00 1.11 0.00 0.00 32.58 33.44 1z9n s HIS 70 CO -0.10 -0.40 0.68 0.42 -0.85 0.00 0.00 174.74 174.50 1z9n s ILE 71 N -2.47 5.03 0.30 0.60 1.01 0.24 -0.51 121.20 125.41 1z9n s ILE 71 Ca -0.06 1.37 0.07 0.00 0.00 0.00 0.00 60.65 62.03 1z9n s ILE 71 Cb -0.02 -4.01 -0.03 0.00 0.01 0.00 0.00 42.46 38.41 1z9n s ILE 71 CO -0.04 0.20 0.31 -1.00 0.00 0.00 0.00 174.94 174.42 1z9n s HIS 72 N 1.19 3.06 0.05 3.97 3.76 0.51 -0.64 115.29 127.20 1z9n s HIS 72 Ca 0.35 -0.21 -0.23 0.00 -0.15 0.00 0.00 55.06 54.83 1z9n s HIS 72 Cb -0.17 -1.72 -0.14 0.00 1.11 0.00 0.00 32.58 31.66 1z9n s HIS 72 CO 0.15 0.25 1.51 1.49 -0.85 0.00 0.00 174.74 177.30 1z9n h GLU 73 N 1.22 0.14 -6.21 1.40 4.57 -0.74 -2.40 114.58 112.56 1z9n h GLU 73 Ca -0.47 -0.04 -0.58 0.00 -1.18 0.00 0.00 59.36 57.10 1z9n h GLU 73 Cb 1.25 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 29.78 1z9n h GLU 73 CO 0.58 0.35 -0.19 0.15 -1.18 0.00 0.00 179.01 178.73 1z9n s LYS 74 N -5.16 3.83 -1.52 1.92 1.02 -0.25 -4.48 119.74 115.09 1z9n s LYS 74 Ca -0.14 0.27 -0.11 0.00 0.02 0.00 0.00 55.97 56.01 1z9n s LYS 74 Cb 0.05 -2.94 -0.06 0.00 -0.52 0.00 0.00 37.83 34.36 1z9n s LYS 74 CO 0.69 0.51 2.73 -0.35 -0.92 0.00 0.00 175.35 178.01 1z9n n PRO 75 N 0.74 3.36 -3.70 -1.68 -0.04 -1.23 -3.18 135.00 129.27 1z9n n PRO 75 Ca -0.06 -2.21 -0.14 0.00 -0.04 0.00 0.00 63.50 61.05 1z9n n PRO 75 Cb 0.52 -2.87 -0.09 0.00 -0.04 0.00 0.00 33.50 31.02 1z9n n PRO 75 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1z9n s SER 76 N 2.53 -0.44 -0.11 3.54 0.15 -1.26 -4.97 113.70 113.13 1z9n s SER 76 Ca 0.63 0.73 0.14 0.00 0.70 0.00 0.00 55.95 58.15 1z9n s SER 76 Cb 0.17 0.77 0.33 0.00 -1.71 0.00 0.00 66.02 65.57 1z9n s SER 76 CO -0.06 -0.27 1.23 0.00 1.20 0.00 0.00 173.24 175.34 1z9n s GLU 78 N -2.32 3.72 0.76 0.00 0.41 -1.26 -4.15 118.70 115.86 1z9n s GLU 78 Ca 0.29 1.24 -0.11 0.00 -0.41 0.00 0.00 54.97 55.98 1z9n s GLU 78 Cb 0.24 -2.09 0.05 0.00 -1.78 0.00 0.00 34.13 30.54 1z9n s GLU 78 CO 0.06 -0.48 1.09 -1.25 -0.49 0.00 0.00 175.26 174.19 1z9n s PRO 79 N -3.58 2.39 -0.02 0.39 0.04 -1.26 -0.25 135.00 132.70 1z9n s PRO 79 Ca 0.65 0.65 -0.04 0.00 0.04 0.00 0.00 61.00 62.30 1z9n s PRO 79 Cb -0.15 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.45 1z9n s PRO 79 CO 0.26 -1.41 0.09 0.21 0.04 0.00 0.00 177.00 176.19 1z9n s LYS 80 N -5.18 0.22 0.03 4.56 2.20 -0.80 -4.37 119.74 116.39 1z9n s LYS 80 Ca 0.60 -0.06 -0.30 0.00 -0.36 0.00 0.00 55.97 55.85 1z9n s LYS 80 Cb -0.14 0.09 -0.04 0.00 -1.51 0.00 0.00 37.83 36.24 1z9n s LYS 80 CO 0.54 -0.04 1.05 -2.00 -0.36 0.00 0.00 175.35 174.54 1z9n s GLU 81 N -0.42 4.53 -0.12 4.03 2.12 -1.26 -0.65 118.70 126.94 1z9n s GLU 81 Ca -0.05 1.54 -0.02 0.00 0.36 0.00 0.00 54.97 56.80 1z9n s GLU 81 Cb -0.03 -3.41 0.04 0.00 0.26 0.00 0.00 34.13 30.98 1z9n s GLU 81 CO 0.00 -0.09 -0.00 0.21 -0.54 0.00 0.00 175.26 174.84 1z9n s LYS 82 N 0.92 0.78 -1.57 4.30 2.20 0.26 -4.84 119.74 121.79 1z9n s LYS 82 Ca 0.54 -0.12 -0.13 0.00 -0.36 0.00 0.00 55.97 55.90 1z9n s LYS 82 Cb -0.24 -1.42 0.10 0.00 -1.51 0.00 0.00 37.83 34.76 1z9n s LYS 82 CO 0.29 -0.40 0.81 -0.25 -0.36 0.00 0.00 175.35 175.44 1z9n n ASP 83 N 5.08 -3.35 0.00 1.43 8.00 -1.26 -1.60 116.55 124.85 1z9n n ASP 83 Ca -0.09 -0.91 0.00 0.00 0.71 0.00 0.00 54.79 54.51 1z9n n ASP 83 Cb 0.49 -3.33 0.00 0.00 -0.02 0.00 0.00 41.12 38.26 1z9n n ASP 83 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1z9n n GLY 84 N -1.61 0.80 3.59 0.44 0.00 -1.26 -5.03 105.19 102.11 1z9n n GLY 84 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 1z9n n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1z9n s LYS 85 N -0.11 3.17 -0.59 1.61 1.02 -0.62 -5.07 119.74 119.15 1z9n s LYS 85 Ca 0.00 -0.49 -0.23 0.00 0.02 0.00 0.00 55.97 55.27 1z9n s LYS 85 Cb 0.00 -2.78 0.06 0.00 -0.52 0.00 0.00 37.83 34.59 1z9n s LYS 85 CO 0.00 0.52 0.89 -1.17 -0.92 0.00 0.00 175.35 174.67 1z9n s LEU 86 N -0.40 4.38 -0.26 3.17 2.96 -1.26 -0.57 118.68 126.70 1z9n s LEU 86 Ca 0.07 -0.71 -0.15 0.00 -0.22 0.00 0.00 54.13 53.12 1z9n s LEU 86 Cb -0.12 -2.60 -0.04 0.00 0.50 0.00 0.00 46.19 43.93 1z9n s LEU 86 CO 0.02 -1.25 0.36 -0.69 -1.32 0.00 0.00 176.35 173.48 1z9n s VAL 87 N 3.74 5.19 0.15 1.68 1.01 0.18 -4.88 120.40 127.46 1z9n s VAL 87 Ca 0.24 0.57 -0.34 0.00 0.00 0.00 0.00 61.98 62.44 1z9n s VAL 87 Cb -0.16 -3.69 -0.15 0.00 0.00 0.00 0.00 36.38 32.39 1z9n s VAL 87 CO 0.14 0.18 1.50 0.00 0.00 0.00 0.00 175.10 176.92 1z9n n ALA 88 N 5.15 0.70 -0.88 5.51 0.00 -1.26 -1.91 120.51 127.82 1z9n n ALA 88 Ca -0.09 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.82 1z9n n ALA 88 Cb 0.51 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.69 1z9n n ALA 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1z9n n GLY 89 N 3.07 0.48 0.20 0.00 0.00 -1.24 -4.47 105.19 103.21 1z9n n GLY 89 Ca 0.17 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.33 1z9n n GLY 89 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1z9n h LEU 90 N 0.00 0.00 -2.35 0.99 5.85 -1.38 -1.86 115.31 116.56 1z9n h LEU 90 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1z9n h LEU 90 Cb 0.16 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.19 1z9n h LEU 90 CO 0.00 0.00 0.00 1.23 -0.34 0.00 0.00 178.44 179.33 1z9n h GLY 91 N 2.77 0.00 2.00 3.75 0.00 -0.82 -1.87 103.07 108.90 1z9n h GLY 91 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1z9n h GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 1z9n n ALA 92 N -2.02 1.72 -0.36 3.60 0.00 -0.70 -4.58 120.51 118.16 1z9n n ALA 92 Ca -0.02 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1z9n n ALA 92 Cb 0.12 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.20 1z9n n ALA 92 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1z9n n GLY 93 N 0.13 -1.01 2.95 0.00 0.00 -0.71 -1.09 105.19 105.46 1z9n n GLY 93 Ca 0.03 -1.19 -0.19 0.00 0.00 0.00 0.00 46.02 44.67 1z9n n GLY 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1z9n n GLY 94 N 0.00 -0.15 3.78 -0.02 0.00 -1.26 -4.65 105.19 102.88 1z9n n GLY 94 Ca 0.00 -1.89 -0.41 0.00 0.00 0.00 0.00 46.02 43.72 1z9n n GLY 94 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1z9n n HIS 95 N -2.86 3.00 -1.88 1.61 8.25 -1.26 -0.60 115.22 121.48 1z9n n HIS 95 Ca 0.13 0.45 -0.42 0.00 -0.26 0.00 0.00 57.72 57.61 1z9n n HIS 95 Cb 0.45 -2.53 -0.03 0.00 1.12 0.00 0.00 29.99 28.99 1z9n n HIS 95 CO 0.00 0.00 0.00 -0.46 0.64 0.00 0.00 176.34 176.52 1z9n s TRP 96 N -1.11 1.71 -0.39 4.41 -0.00 0.19 -4.52 118.94 119.24 1z9n s TRP 96 Ca 0.53 0.00 0.10 0.00 -0.00 0.00 0.00 56.10 56.74 1z9n s TRP 96 Cb -0.48 -4.03 0.31 0.00 -0.00 0.00 0.00 33.47 29.27 1z9n s TRP 96 CO 0.64 -4.39 0.69 -3.47 -0.00 0.00 0.00 176.95 170.42 1z9n n ASP 97 N 7.54 0.33 0.28 5.86 2.03 -1.26 -1.16 116.55 130.17 1z9n n ASP 97 Ca 0.19 -2.96 0.14 0.00 0.52 0.00 0.00 54.79 52.68 1z9n n ASP 97 Cb 0.42 -0.40 0.83 0.00 -0.72 0.00 0.00 41.12 41.25 1z9n n ASP 97 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1z9n h PRO 98 N 3.34 0.00 -0.11 -0.67 0.13 -1.98 -1.70 132.00 131.01 1z9n h PRO 98 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1z9n h PRO 98 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 1z9n h PRO 98 CO 0.46 0.05 0.00 1.63 -0.23 0.00 0.00 178.00 179.91 1z9n n LYS 99 N -3.79 2.00 -3.65 0.86 5.02 -1.26 -4.98 118.16 112.36 1z9n n LYS 99 Ca -0.03 -1.47 -0.21 0.00 -2.02 0.00 0.00 58.31 54.58 1z9n n LYS 99 Cb 0.14 -1.46 0.04 0.00 -0.02 0.00 0.00 35.03 33.73 1z9n n LYS 99 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1z9n n GLN 100 N 0.74 -4.69 0.13 1.97 6.02 -0.64 -4.90 117.38 116.00 1z9n n GLN 100 Ca 0.17 0.64 0.01 0.00 -0.01 0.00 0.00 57.00 57.81 1z9n n GLN 100 Cb 0.46 -5.21 0.05 0.00 1.02 0.00 0.00 30.24 26.55 1z9n n GLN 100 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.06 177.84 1z9n h THR 101 N -1.83 1.08 -4.07 5.09 1.35 -1.88 -3.47 112.91 109.19 1z9n h THR 101 Ca -0.61 -2.38 -0.36 0.00 -0.55 0.00 0.00 66.41 62.51 1z9n h THR 101 Cb 1.35 2.44 -0.01 0.00 -1.73 0.00 0.00 68.15 70.20 1z9n h THR 101 CO 0.55 0.59 -0.49 0.00 -0.25 0.00 0.00 175.52 175.91 1z9n n GLN 102 N -3.32 -2.99 -3.80 4.72 6.02 -1.26 -4.96 117.38 111.80 1z9n n GLN 102 Ca 0.01 0.77 -0.13 0.00 -0.01 0.00 0.00 57.00 57.64 1z9n n GLN 102 Cb 0.74 -5.47 -0.14 0.00 1.02 0.00 0.00 30.24 26.39 1z9n n GLN 102 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1z9n s LYS 103 N -5.38 0.10 -0.01 -1.09 1.02 -1.26 -5.08 119.74 108.04 1z9n s LYS 103 Ca 0.15 0.23 -0.22 0.00 0.02 0.00 0.00 55.97 56.14 1z9n s LYS 103 Cb -0.07 -0.05 -0.05 0.00 -0.52 0.00 0.00 37.83 37.14 1z9n s LYS 103 CO 0.18 -0.08 0.66 -1.58 -0.92 0.00 0.00 175.35 173.61 1z9n s HIS 104 N 0.53 3.66 0.00 3.18 5.65 -1.26 -1.37 115.29 125.68 1z9n s HIS 104 Ca -0.04 1.26 0.00 0.00 0.25 0.00 0.00 55.06 56.53 1z9n s HIS 104 Cb -0.05 -2.70 0.00 0.00 -1.18 0.00 0.00 32.58 28.64 1z9n s HIS 104 CO -0.02 0.26 0.00 0.41 -0.65 0.00 0.00 174.74 174.74 1z9n n GLY 105 N 2.62 3.54 3.81 1.59 0.00 -1.26 -4.05 105.19 111.45 1z9n n GLY 105 Ca -0.04 -0.84 -0.34 0.00 0.00 0.00 0.00 46.02 44.80 1z9n n GLY 105 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1z9n s TYR 106 N -2.19 3.11 0.51 1.61 1.51 -1.25 -4.70 117.35 115.95 1z9n s TYR 106 Ca 0.00 1.59 0.37 0.00 -1.01 0.00 0.00 57.07 58.02 1z9n s TYR 106 Cb 0.00 -2.99 1.97 0.00 -0.11 0.00 0.00 41.96 40.83 1z9n s TYR 106 CO 0.00 -0.57 2.23 -1.35 -1.11 0.00 0.00 175.55 174.75 1z9n h PRO 107 N 1.68 0.00 -0.70 -1.71 0.11 -1.88 -1.68 132.00 127.82 1z9n h PRO 107 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1z9n h PRO 107 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1z9n h PRO 107 CO 0.60 0.02 0.00 -2.67 -0.21 0.00 0.00 178.00 175.74 1z9n n TRP 108 N -3.31 1.02 -4.08 0.65 2.14 -1.26 -4.35 117.44 108.25 1z9n n TRP 108 Ca -0.02 -0.52 -0.34 0.00 2.07 0.00 0.00 57.50 58.69 1z9n n TRP 108 Cb 0.15 -0.03 -0.10 0.00 -0.81 0.00 0.00 31.31 30.51 1z9n n TRP 108 CO 0.00 0.00 0.00 0.45 2.07 0.00 0.00 177.69 180.21 1z9n s SER 109 N -0.99 5.45 0.00 -0.67 0.15 -0.63 -4.98 113.70 112.02 1z9n s SER 109 Ca 0.48 0.03 0.17 0.00 0.70 0.00 0.00 55.95 57.33 1z9n s SER 109 Cb 0.26 -1.93 0.78 0.00 -1.71 0.00 0.00 66.02 63.42 1z9n s SER 109 CO 0.31 0.17 1.54 0.47 1.20 0.00 0.00 173.24 176.93 1z9n n ASP 110 N 3.57 0.00 -0.23 5.45 8.00 -1.26 -2.40 116.55 129.68 1z9n n ASP 110 Ca -0.17 0.35 0.14 0.00 0.71 0.00 0.00 54.79 55.82 1z9n n ASP 110 Cb 0.52 -0.43 0.54 0.00 -0.02 0.00 0.00 41.12 41.74 1z9n n ASP 110 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1z9n n ASP 111 N -1.43 0.85 -4.92 -2.24 8.00 -1.26 -4.93 116.55 110.61 1z9n n ASP 111 Ca 0.05 -0.92 -0.28 0.00 0.71 0.00 0.00 54.79 54.35 1z9n n ASP 111 Cb 0.18 0.02 -0.03 0.00 -0.02 0.00 0.00 41.12 41.26 1z9n n ASP 111 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1z9n s ALA 112 N -2.34 3.87 0.24 2.24 0.00 -1.01 -4.33 121.76 120.43 1z9n s ALA 112 Ca 0.31 -0.82 -0.30 0.00 0.00 0.00 0.00 51.96 51.15 1z9n s ALA 112 Cb 0.20 -1.96 -0.15 0.00 0.00 0.00 0.00 23.12 21.22 1z9n s ALA 112 CO 0.45 0.54 1.03 0.72 0.00 0.00 0.00 175.76 178.50 1z9n n HIS 113 N -0.40 1.14 0.17 0.00 8.25 -0.47 -4.83 115.22 119.08 1z9n n HIS 113 Ca -0.05 0.72 0.17 0.00 -0.26 0.00 0.00 57.72 58.30 1z9n n HIS 113 Cb 0.53 -2.24 0.78 0.00 1.12 0.00 0.00 29.99 30.19 1z9n n HIS 113 CO 0.00 0.00 0.00 1.98 0.64 0.00 0.00 176.34 178.96 1z9n h MET 114 N 2.45 0.00 0.00 -0.41 4.05 -1.88 -1.86 114.93 117.28 1z9n h MET 114 Ca -0.40 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.02 1z9n h MET 114 Cb 1.35 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.15 1z9n h MET 114 CO 0.64 0.00 0.00 0.41 0.23 0.00 0.00 176.91 178.19 1z9n n GLY 115 N -1.46 -0.96 3.63 1.39 0.00 -0.31 -4.82 105.19 102.66 1z9n n GLY 115 Ca 0.03 -0.18 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 1z9n n GLY 115 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1z9n s ASP 116 N -1.96 6.79 0.33 1.61 1.01 -0.70 -0.59 116.67 123.15 1z9n s ASP 116 Ca 0.44 1.09 0.08 0.00 0.71 0.00 0.00 52.55 54.88 1z9n s ASP 116 Cb 0.20 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.55 1z9n s ASP 116 CO 0.34 -1.00 0.17 -0.76 0.21 0.00 0.00 175.17 174.13 1z9n s LEU 117 N 4.05 3.37 0.91 1.23 1.43 -1.10 -4.18 118.68 124.38 1z9n s LEU 117 Ca 0.51 -0.66 -0.10 0.00 -1.03 0.00 0.00 54.13 52.84 1z9n s LEU 117 Cb -0.14 -1.89 0.14 0.00 0.03 0.00 0.00 46.19 44.33 1z9n s LEU 117 CO 0.20 -0.27 1.14 -2.84 0.23 0.00 0.00 176.35 174.81 1z9n s PRO 118 N -3.87 1.08 0.70 1.29 0.02 -1.26 -4.67 135.00 128.29 1z9n s PRO 118 Ca 0.38 1.53 -0.11 0.00 0.02 0.00 0.00 61.00 62.82 1z9n s PRO 118 Cb -0.04 -1.74 0.01 0.00 0.02 0.00 0.00 34.50 32.75 1z9n s PRO 118 CO 0.23 -2.58 1.06 0.00 -0.33 0.00 0.00 177.00 175.38 1z9n s ALA 119 N -2.66 2.67 -0.27 -1.55 0.00 -1.26 -4.56 121.76 114.13 1z9n s ALA 119 Ca 0.66 0.06 -0.11 0.00 0.00 0.00 0.00 51.96 52.57 1z9n s ALA 119 Cb -0.22 -3.17 -0.05 0.00 0.00 0.00 0.00 23.12 19.68 1z9n s ALA 119 CO 0.58 -1.24 0.19 -1.17 0.00 0.00 0.00 175.76 174.12 1z9n s LEU 120 N -5.55 4.04 -0.24 0.00 2.96 0.35 -4.88 118.68 115.36 1z9n s LEU 120 Ca 0.58 0.03 -0.21 0.00 -0.22 0.00 0.00 54.13 54.32 1z9n s LEU 120 Cb -0.14 -2.13 -0.02 0.00 0.50 0.00 0.00 46.19 44.40 1z9n s LEU 120 CO 0.55 -0.03 0.65 -0.36 -1.32 0.00 0.00 176.35 175.84 1z9n s PHE 121 N 1.62 3.31 -0.26 5.38 0.40 -1.26 -0.58 117.98 126.58 1z9n s PHE 121 Ca 0.08 0.87 -0.05 0.00 -0.60 0.00 0.00 56.93 57.23 1z9n s PHE 121 Cb -0.15 -2.85 0.01 0.00 0.51 0.00 0.00 43.02 40.53 1z9n s PHE 121 CO 0.10 -0.30 0.02 0.08 0.70 0.00 0.00 175.22 175.82 1z9n s VAL 122 N 2.40 3.61 0.93 -0.44 1.01 0.39 -4.33 120.40 123.97 1z9n s VAL 122 Ca 0.28 -0.68 -0.12 0.00 0.00 0.00 0.00 61.98 61.46 1z9n s VAL 122 Cb -0.16 -2.79 0.15 0.00 0.00 0.00 0.00 36.38 33.58 1z9n s VAL 122 CO 0.09 0.21 1.11 -0.04 0.00 0.00 0.00 175.10 176.47 1z9n s MET 123 N 1.46 1.01 0.54 2.72 -1.94 0.01 -0.98 119.30 122.13 1z9n s MET 123 Ca 0.03 0.47 0.20 0.00 -1.71 0.00 0.00 55.69 54.68 1z9n s MET 123 Cb -0.16 -1.81 1.41 0.00 2.01 0.00 0.00 34.83 36.28 1z9n s MET 123 CO -0.00 -2.32 2.16 0.45 -0.01 0.00 0.00 175.02 175.30 1z9n h HIS 124 N -1.60 0.00 0.00 -0.03 3.86 -1.95 0.92 115.15 116.35 1z9n h HIS 124 Ca -0.51 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.70 1z9n h HIS 124 Cb 1.32 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.79 1z9n h HIS 124 CO 0.33 0.00 0.00 -0.40 0.86 0.00 0.00 177.93 178.72 1z9n n ASP 125 N -4.36 0.00 0.00 2.45 5.75 -1.26 -4.81 116.55 114.32 1z9n n ASP 125 Ca -0.02 -0.80 0.00 0.00 -0.01 0.00 0.00 54.79 53.96 1z9n n ASP 125 Cb 0.12 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.21 1z9n n ASP 125 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1z9n n GLY 126 N 0.40 0.83 3.84 6.12 0.00 0.32 -4.56 105.19 112.13 1z9n n GLY 126 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 1z9n n GLY 126 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1z9n s SER 127 N -2.95 6.88 -0.13 1.61 1.04 -1.25 -1.70 113.70 117.19 1z9n s SER 127 Ca 0.00 1.17 0.00 0.00 0.48 0.00 0.00 55.95 57.60 1z9n s SER 127 Cb 0.00 -2.32 0.02 0.00 0.10 0.00 0.00 66.02 63.82 1z9n s SER 127 CO 0.00 0.08 -0.11 0.00 0.98 0.00 0.00 173.24 174.18 1z9n s ALA 128 N -1.49 1.63 -0.00 5.32 0.00 -0.57 -0.81 121.76 125.83 1z9n s ALA 128 Ca 0.40 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.60 1z9n s ALA 128 Cb -0.15 -0.99 0.00 0.00 0.00 0.00 0.00 23.12 21.97 1z9n s ALA 128 CO 0.20 -0.40 0.60 0.25 0.00 0.00 0.00 175.76 176.41 1z9n n THR 129 N 4.85 0.01 -3.39 0.00 -2.24 -1.26 -1.59 114.28 110.65 1z9n n THR 129 Ca -0.15 -0.01 -0.43 0.00 -2.27 0.00 0.00 64.05 61.19 1z9n n THR 129 Cb 0.50 0.90 -0.09 0.00 -2.10 0.00 0.00 70.33 69.54 1z9n n THR 129 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1z9n s THR 130 N -0.01 5.18 0.65 4.28 2.01 -1.26 -4.70 115.64 121.79 1z9n s THR 130 Ca 0.00 -0.64 -0.14 0.00 0.31 0.00 0.00 61.69 61.21 1z9n s THR 130 Cb 0.00 -4.02 -0.01 0.00 0.01 0.00 0.00 72.50 68.48 1z9n s THR 130 CO 0.00 -0.42 1.08 -2.84 -0.69 0.00 0.00 174.62 171.75 1z9n s PRO 131 N 1.86 2.98 0.08 4.92 0.02 -1.26 -4.56 135.00 139.03 1z9n s PRO 131 Ca 0.07 1.24 0.02 0.00 0.02 0.00 0.00 61.00 62.35 1z9n s PRO 131 Cb -0.19 -1.98 -0.03 0.00 0.02 0.00 0.00 34.50 32.31 1z9n s PRO 131 CO 0.10 -1.09 -0.08 0.14 -0.33 0.00 0.00 177.00 175.75 1z9n s VAL 132 N -2.53 0.70 -0.11 3.83 -7.23 -0.42 -4.97 120.40 109.67 1z9n s VAL 132 Ca 0.64 -1.52 -0.03 0.00 -1.81 0.00 0.00 61.98 59.26 1z9n s VAL 132 Cb -0.17 -1.18 -0.03 0.00 0.56 0.00 0.00 36.38 35.55 1z9n s VAL 132 CO 0.43 -0.60 0.01 -0.22 -0.31 0.00 0.00 175.10 174.41 1z9n s LEU 133 N -2.31 3.59 -0.62 1.32 2.96 -1.26 -0.67 118.68 121.68 1z9n s LEU 133 Ca 0.02 0.12 -0.05 0.00 -0.22 0.00 0.00 54.13 53.99 1z9n s LEU 133 Cb -0.03 -1.84 0.16 0.00 0.50 0.00 0.00 46.19 44.99 1z9n s LEU 133 CO -0.02 0.33 0.46 0.00 -1.32 0.00 0.00 176.35 175.81 1z9n s ALA 134 N -0.61 3.60 0.26 5.97 0.00 0.07 -4.52 121.76 126.54 1z9n s ALA 134 Ca 0.10 -3.16 0.36 0.00 0.00 0.00 0.00 51.96 49.27 1z9n s ALA 134 Cb -0.12 -2.77 1.79 0.00 0.00 0.00 0.00 23.12 22.02 1z9n s ALA 134 CO 0.02 -2.09 2.10 -1.00 0.00 0.00 0.00 175.76 174.79 1z9n h PRO 135 N 7.33 0.00 -0.00 0.00 0.13 -1.79 -2.19 132.00 135.48 1z9n h PRO 135 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1z9n h PRO 135 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1z9n h PRO 135 CO 0.73 0.00 -0.50 0.54 -0.23 0.00 0.00 178.00 178.54 1z9n n ARG 136 N -2.90 0.04 -3.72 0.86 1.74 -1.26 -4.57 116.66 106.84 1z9n n ARG 136 Ca -0.01 -0.02 -0.35 0.00 -0.77 0.00 0.00 57.85 56.69 1z9n n ARG 136 Cb 0.16 -1.50 -0.08 0.00 -1.02 0.00 0.00 32.46 30.02 1z9n n ARG 136 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1z9n s LEU 137 N -2.98 4.18 -0.11 0.55 1.43 -0.84 -4.99 118.68 115.92 1z9n s LEU 137 Ca 0.12 0.20 0.04 0.00 -1.03 0.00 0.00 54.13 53.45 1z9n s LEU 137 Cb 0.18 -2.09 -0.09 0.00 0.03 0.00 0.00 46.19 44.21 1z9n s LEU 137 CO 0.70 0.15 -0.06 0.29 0.23 0.00 0.00 176.35 177.66 1z9n n LYS 138 N 3.70 1.02 -4.52 1.70 5.02 -1.26 -1.34 118.16 122.48 1z9n n LYS 138 Ca -0.16 0.05 -0.22 0.00 -2.02 0.00 0.00 58.31 55.96 1z9n n LYS 138 Cb 0.52 -1.25 -0.14 0.00 -0.02 0.00 0.00 35.03 34.14 1z9n n LYS 138 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1z9n s LYS 139 N -2.24 1.08 0.34 1.97 -0.14 -1.26 -4.73 119.74 114.76 1z9n s LYS 139 Ca -0.13 -0.66 0.05 0.00 -1.36 0.00 0.00 55.97 53.87 1z9n s LYS 139 Cb 0.04 -1.08 0.70 0.00 -1.68 0.00 0.00 37.83 35.80 1z9n s LYS 139 CO 0.32 0.28 1.90 -0.07 -0.76 0.00 0.00 175.35 177.03 1z9n h LEU 140 N 5.32 0.75 -2.03 3.17 3.38 -1.96 -1.90 115.31 122.03 1z9n h LEU 140 Ca -0.37 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.60 1z9n h LEU 140 Cb 1.17 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.78 1z9n h LEU 140 CO 0.46 0.44 -0.09 0.00 0.09 0.00 0.00 178.44 179.34 1z9n h ALA 141 N 1.57 1.53 0.00 1.53 0.00 -1.97 -2.74 119.26 119.18 1z9n h ALA 141 Ca 0.40 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 1z9n h ALA 141 Cb 0.43 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1z9n h ALA 141 CO -0.16 0.11 -0.08 1.05 0.00 0.00 0.00 179.25 180.16 1z9n h GLU 142 N 0.00 0.00 -0.00 0.00 4.11 -1.77 -3.04 114.58 113.87 1z9n h GLU 142 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1z9n h GLU 142 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1z9n h GLU 142 CO 0.01 0.08 -0.79 1.33 0.07 0.00 0.00 179.01 179.71 1z9n n VAL 143 N -3.20 0.00 -2.17 -1.06 0.24 -1.04 -4.93 118.33 106.18 1z9n n VAL 143 Ca 0.01 -0.02 -0.38 0.00 -2.04 0.00 0.00 64.34 61.90 1z9n n VAL 143 Cb 0.38 0.79 -0.01 0.00 -1.47 0.00 0.00 33.84 33.53 1z9n n VAL 143 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1z9n s LYS 144 N -2.94 3.90 0.00 7.34 1.02 -1.15 -3.21 119.74 124.69 1z9n s LYS 144 Ca 0.10 1.96 0.00 0.00 0.02 0.00 0.00 55.97 58.05 1z9n s LYS 144 Cb 0.17 -2.62 0.00 0.00 -0.52 0.00 0.00 37.83 34.86 1z9n s LYS 144 CO 0.79 -0.49 0.00 0.41 -0.92 0.00 0.00 175.35 175.14 1z9n n GLY 145 N 0.62 0.70 1.21 -3.33 0.00 -0.25 -4.99 105.19 99.15 1z9n n GLY 145 Ca 0.05 -0.29 -0.09 0.00 0.00 0.00 0.00 46.02 45.69 1z9n n GLY 145 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1z9n n HIS 146 N -2.53 -0.03 -4.30 1.61 8.25 -1.20 -3.49 115.22 113.53 1z9n n HIS 146 Ca 0.00 -0.97 -0.19 0.00 -0.26 0.00 0.00 57.72 56.30 1z9n n HIS 146 Cb 0.00 0.02 -0.11 0.00 1.12 0.00 0.00 29.99 31.03 1z9n n HIS 146 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1z9n s SER 147 N -1.90 2.33 -0.20 0.41 1.04 -0.90 -0.96 113.70 113.52 1z9n s SER 147 Ca 0.09 -0.90 -0.01 0.00 0.48 0.00 0.00 55.95 55.62 1z9n s SER 147 Cb 0.00 -0.11 0.01 0.00 0.10 0.00 0.00 66.02 66.03 1z9n s SER 147 CO 0.07 -0.13 -0.14 -0.22 0.98 0.00 0.00 173.24 173.79 1z9n s LEU 148 N -2.80 2.45 -0.06 2.42 2.96 0.13 -0.36 118.68 123.41 1z9n s LEU 148 Ca 0.15 -0.59 0.04 0.00 -0.22 0.00 0.00 54.13 53.52 1z9n s LEU 148 Cb -0.03 -1.57 -0.02 0.00 0.50 0.00 0.00 46.19 45.06 1z9n s LEU 148 CO 0.05 -0.01 -0.19 -0.32 -1.32 0.00 0.00 176.35 174.55 1z9n s MET 149 N 1.35 2.61 -0.13 1.98 -2.45 0.34 -1.04 119.30 121.96 1z9n s MET 149 Ca 0.05 -0.79 0.03 0.00 -1.25 0.00 0.00 55.69 53.72 1z9n s MET 149 Cb -0.14 -2.31 0.01 0.00 1.25 0.00 0.00 34.83 33.65 1z9n s MET 149 CO -0.09 0.47 -0.22 0.42 1.05 0.00 0.00 175.02 176.64 1z9n s ILE 150 N -0.35 2.07 0.24 10.11 1.01 0.07 -1.63 121.20 132.73 1z9n s ILE 150 Ca 0.03 -0.99 0.02 0.00 0.00 0.00 0.00 60.65 59.71 1z9n s ILE 150 Cb -0.12 -1.82 -0.04 0.00 0.01 0.00 0.00 42.46 40.50 1z9n s ILE 150 CO 0.02 0.55 0.41 -1.00 0.00 0.00 0.00 174.94 174.93 1z9n s HIS 151 N 0.70 3.48 0.20 3.97 3.76 0.12 -0.28 115.29 127.23 1z9n s HIS 151 Ca -0.10 0.22 -0.08 0.00 -0.15 0.00 0.00 55.06 54.95 1z9n s HIS 151 Cb -0.16 -1.77 0.13 0.00 1.11 0.00 0.00 32.58 31.90 1z9n s HIS 151 CO 0.01 0.34 1.72 0.00 -0.85 0.00 0.00 174.74 175.96 1z9n h ALA 152 N 1.46 0.96 -4.47 -1.40 0.00 -1.09 -3.38 119.26 111.34 1z9n h ALA 152 Ca -0.50 -0.25 -0.40 0.00 0.00 0.00 0.00 54.91 53.76 1z9n h ALA 152 Cb 1.21 -0.27 0.12 0.00 0.00 0.00 0.00 17.79 18.85 1z9n h ALA 152 CO 0.64 0.67 0.26 0.41 0.00 0.00 0.00 179.25 181.23 1z9n n GLY 153 N -0.67 -0.54 0.00 0.00 0.00 0.13 -4.89 105.19 99.22 1z9n n GLY 153 Ca 0.05 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.23 1z9n n GLY 153 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1z9n n GLY 154 N -2.42 1.22 3.11 -0.02 0.00 -1.23 -0.80 105.19 105.06 1z9n n GLY 154 Ca 0.15 -1.74 0.02 0.00 0.00 0.00 0.00 46.02 44.45 1z9n n GLY 154 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1z9n s ASP 155 N -1.00 -1.24 0.00 1.61 -1.08 -1.22 -2.80 116.67 110.95 1z9n s ASP 155 Ca 0.00 0.46 0.13 0.00 -0.52 0.00 0.00 52.55 52.63 1z9n s ASP 155 Cb 0.00 1.96 0.39 0.00 -1.46 0.00 0.00 42.92 43.81 1z9n s ASP 155 CO 0.00 -0.29 1.32 -0.46 0.52 0.00 0.00 175.17 176.27 1z9n n ASN 156 N 5.42 2.26 -3.14 -0.34 6.94 -0.77 -4.92 115.26 120.70 1z9n n ASN 156 Ca 0.01 -1.99 -0.23 0.00 -0.02 0.00 0.00 54.58 52.36 1z9n n ASN 156 Cb 0.52 -0.28 0.04 0.00 -2.36 0.00 0.00 39.78 37.70 1z9n n ASN 156 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1z9n n HIS 157 N 0.73 -2.08 -4.03 -2.53 8.25 -1.26 -4.97 115.22 109.33 1z9n n HIS 157 Ca 0.14 0.59 -0.09 0.00 -0.26 0.00 0.00 57.72 58.10 1z9n n HIS 157 Cb 0.36 -4.44 -0.08 0.00 1.12 0.00 0.00 29.99 26.94 1z9n n HIS 157 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1z9n s SER 158 N -2.79 0.18 0.00 0.41 0.15 -1.26 -3.85 113.70 106.54 1z9n s SER 158 Ca 0.36 -0.98 0.22 0.00 0.70 0.00 0.00 55.95 56.24 1z9n s SER 158 Cb -0.16 0.36 0.65 0.00 -1.71 0.00 0.00 66.02 65.16 1z9n s SER 158 CO 0.44 -0.80 1.50 0.47 1.20 0.00 0.00 173.24 176.05 1z9n n ASP 159 N -0.13 2.14 -4.10 5.45 8.00 -1.26 -0.50 116.55 126.16 1z9n n ASP 159 Ca -0.08 -1.79 -0.20 0.00 0.71 0.00 0.00 54.79 53.43 1z9n n ASP 159 Cb 0.63 -0.13 -0.14 0.00 -0.02 0.00 0.00 41.12 41.45 1z9n n ASP 159 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 1z9n s HIS 160 N -1.73 1.12 -1.75 1.24 3.76 -1.26 -3.19 115.29 113.48 1z9n s HIS 160 Ca 0.34 -0.27 0.30 0.00 -0.15 0.00 0.00 55.06 55.27 1z9n s HIS 160 Cb 0.19 -0.69 1.49 0.00 1.11 0.00 0.00 32.58 34.68 1z9n s HIS 160 CO 0.28 0.00 2.01 -0.35 -0.85 0.00 0.00 174.74 175.83 1z9n n PRO 161 N 2.38 0.77 -4.79 8.40 -0.04 -1.26 -4.99 135.00 135.48 1z9n n PRO 161 Ca -0.16 -0.15 -0.26 0.00 -0.04 0.00 0.00 63.50 62.88 1z9n n PRO 161 Cb 0.55 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.37 1z9n n PRO 161 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1z9n s ALA 162 N -2.33 1.79 0.52 0.55 0.00 -1.25 -5.08 121.76 115.95 1z9n s ALA 162 Ca 0.35 -1.02 -0.22 0.00 0.00 0.00 0.00 51.96 51.07 1z9n s ALA 162 Cb 0.21 -0.38 -0.07 0.00 0.00 0.00 0.00 23.12 22.87 1z9n s ALA 162 CO 0.43 0.42 1.16 -2.30 0.00 0.00 0.00 175.76 175.47 1z9n n PRO 163 N 2.07 1.44 -3.12 0.00 -0.02 -1.19 -3.33 135.00 130.86 1z9n n PRO 163 Ca -0.17 0.53 -0.23 0.00 -2.02 0.00 0.00 63.50 61.62 1z9n n PRO 163 Cb 0.53 -2.32 0.03 0.00 -0.02 0.00 0.00 33.50 31.72 1z9n n PRO 163 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1z9n n LEU 164 N -0.42 -2.59 0.00 2.45 4.77 -1.25 -1.76 117.00 118.20 1z9n n LEU 164 Ca 0.10 -0.32 0.00 0.00 -0.03 0.00 0.00 56.01 55.76 1z9n n LEU 164 Cb 0.43 -2.88 0.00 0.00 -2.33 0.00 0.00 43.42 38.65 1z9n n LEU 164 CO 0.54 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 177.47 1z9n n GLY 165 N -1.52 0.46 1.80 -0.72 0.00 0.35 -3.18 105.19 102.38 1z9n n GLY 165 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1z9n n GLY 165 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1z9n n GLY 166 N -1.76 0.45 0.35 -0.02 0.00 -0.72 -1.85 105.19 101.64 1z9n n GLY 166 Ca 0.00 -0.93 0.01 0.00 0.00 0.00 0.00 46.02 45.10 1z9n n GLY 166 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1z9n h GLY 167 N 0.00 1.07 0.00 -0.02 0.00 -1.48 -3.26 103.07 99.39 1z9n h GLY 167 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 46.93 1z9n h GLY 167 CO 0.00 0.38 0.00 0.61 0.00 0.00 0.00 176.54 177.53 1z9n n GLY 168 N -1.42 2.11 3.56 4.60 0.00 -1.26 -0.70 105.19 112.09 1z9n n GLY 168 Ca 0.08 -0.48 -0.34 0.00 0.00 0.00 0.00 46.02 45.28 1z9n n GLY 168 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1z9n n PRO 169 N 8.20 0.11 -3.21 1.61 -0.02 -1.26 -4.74 135.00 135.69 1z9n n PRO 169 Ca 0.00 0.10 -0.41 0.00 -2.02 0.00 0.00 63.50 61.17 1z9n n PRO 169 Cb 0.00 -2.13 -0.07 0.00 -0.02 0.00 0.00 33.50 31.28 1z9n n PRO 169 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1z9n s ARG 170 N -3.60 3.69 -0.20 -0.52 0.52 -1.26 -0.97 118.95 116.61 1z9n s ARG 170 Ca 0.67 -0.05 -0.03 0.00 -0.52 0.00 0.00 55.73 55.80 1z9n s ARG 170 Cb -0.29 -3.79 -0.21 0.00 0.52 0.00 0.00 34.95 31.18 1z9n s ARG 170 CO 0.57 -0.63 0.04 -0.12 0.02 0.00 0.00 175.30 175.18 1z9n n MET 171 N 5.79 0.70 -3.75 3.54 1.56 0.61 -4.72 117.12 120.84 1z9n n MET 171 Ca -0.04 0.21 -0.11 0.00 -0.27 0.00 0.00 57.70 57.49 1z9n n MET 171 Cb 0.49 -1.61 -0.07 0.00 2.15 0.00 0.00 33.22 34.18 1z9n n MET 171 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1z9n s ALA 172 N -2.53 -0.64 -0.08 -5.12 0.00 -0.71 -0.78 121.76 111.89 1z9n s ALA 172 Ca -0.29 -0.12 -0.31 0.00 0.00 0.00 0.00 51.96 51.24 1z9n s ALA 172 Cb 0.08 0.42 0.09 0.00 0.00 0.00 0.00 23.12 23.70 1z9n s ALA 172 CO 0.67 -0.47 0.77 0.00 0.00 0.00 0.00 175.76 176.73 1z9n s GLY 174 N -1.21 0.08 -0.03 0.00 0.00 -0.20 -1.28 107.32 104.68 1z9n s GLY 174 Ca -0.08 -0.22 -0.24 0.00 0.00 0.00 0.00 44.72 44.17 1z9n s GLY 174 CO 0.07 -0.35 0.74 0.14 0.00 0.00 0.00 173.10 173.70 1z9n s VAL 175 N -1.41 4.94 -0.36 1.40 1.01 -1.26 0.17 120.40 124.89 1z9n s VAL 175 Ca -0.15 1.54 -0.19 0.00 0.00 0.00 0.00 61.98 63.18 1z9n s VAL 175 Cb -0.08 -4.08 0.00 0.00 0.00 0.00 0.00 36.38 32.22 1z9n s VAL 175 CO 0.01 0.28 0.55 -0.63 0.00 0.00 0.00 175.10 175.31 1z9n s ILE 176 N 0.54 4.98 0.00 2.22 1.01 -0.13 -4.61 121.20 125.20 1z9n s ILE 176 Ca 0.39 0.35 0.00 0.00 0.00 0.00 0.00 60.65 61.39 1z9n s ILE 176 Cb -0.19 -4.01 0.00 0.00 0.01 0.00 0.00 42.46 38.27 1z9n s ILE 176 CO 0.20 -0.27 0.00 2.29 0.00 0.00 0.00 174.94 177.16