#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1z3k n GLU 2 N 0.00 0.00 0.00 5.56 -0.58 -1.26 -4.77 120.64 119.59 1z3k n GLU 2 Ca 0.00 0.00 -0.02 0.00 -0.42 0.00 0.00 57.16 56.72 1z3k n GLU 2 Cb 0.00 -0.66 -0.01 0.00 -0.57 0.00 0.00 31.44 30.20 1z3k n GLU 2 CO 0.00 0.00 0.00 -2.67 -0.48 0.00 0.00 177.13 173.98 1z3k n TRP 3 N -2.00 0.00 -2.83 -0.32 4.27 -1.26 -4.92 117.44 110.38 1z3k n TRP 3 Ca 0.00 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.18 1z3k n TRP 3 Cb 0.00 -0.10 -0.04 0.00 -1.36 0.00 0.00 31.31 29.81 1z3k n TRP 3 CO 0.00 0.00 0.00 1.52 -2.29 0.00 0.00 177.69 176.92 1z3k s TYR 4 N -1.80 3.03 -0.00 -2.67 1.13 -1.26 -4.30 117.35 111.47 1z3k s TYR 4 Ca -0.06 0.60 0.00 0.00 -1.41 0.00 0.00 57.07 56.21 1z3k s TYR 4 Cb 0.01 -3.73 0.00 0.00 -1.10 0.00 0.00 41.96 37.14 1z3k s TYR 4 CO 0.09 -0.91 0.19 0.98 -2.51 0.00 0.00 175.55 173.39 1z3k n TYR 5 N 6.87 -0.02 -0.86 -3.49 4.19 -1.26 -4.74 117.16 117.85 1z3k n TYR 5 Ca 0.06 -0.03 0.00 0.00 3.31 0.00 0.00 57.90 61.24 1z3k n TYR 5 Cb 0.48 0.36 0.00 0.00 0.49 0.00 0.00 39.34 40.67 1z3k n TYR 5 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1z3k n GLY 6 N -0.02 0.51 3.31 2.98 0.00 -1.26 -4.94 105.19 105.78 1z3k n GLY 6 Ca -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.93 1z3k n GLY 6 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1z3k s ASN 7 N -2.42 -0.37 0.00 1.61 -0.87 -1.26 -4.23 114.94 107.39 1z3k s ASN 7 Ca 0.00 1.05 0.00 0.00 -1.57 0.00 0.00 52.86 52.34 1z3k s ASN 7 Cb 0.00 1.39 0.00 0.00 -0.02 0.00 0.00 41.25 42.62 1z3k s ASN 7 CO 0.00 -0.23 0.00 0.52 -2.57 0.00 0.00 177.10 174.82 1z3k n VAL 8 N 5.29 0.00 -0.40 1.60 0.31 -1.26 -4.71 118.33 119.16 1z3k n VAL 8 Ca -0.10 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.09 1z3k n VAL 8 Cb 0.50 -0.08 0.14 0.00 -0.91 0.00 0.00 33.84 33.48 1z3k n VAL 8 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1z3k n THR 9 N -0.86 0.00 0.00 2.52 -1.04 -1.26 0.91 114.28 114.55 1z3k n THR 9 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1z3k n THR 9 Cb 0.00 -0.45 0.00 0.00 -1.82 0.00 0.00 70.33 68.06 1z3k n THR 9 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 1z3k n ARG 10 N -1.63 0.00 -0.12 -2.82 0.63 -1.26 -3.64 116.66 107.82 1z3k n ARG 10 Ca 0.06 0.00 -0.23 0.00 -0.92 0.00 0.00 57.85 56.76 1z3k n ARG 10 Cb 0.28 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 33.11 1z3k n ARG 10 CO 0.00 0.00 0.00 1.58 -2.51 0.00 0.00 177.63 176.70 1z3k n HIS 11 N 0.00 0.00 0.08 -0.14 -0.00 -1.21 -4.41 115.22 109.54 1z3k n HIS 11 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 57.72 57.65 1z3k n HIS 11 Cb 0.00 -0.81 -0.05 0.00 -0.00 0.00 0.00 29.99 29.13 1z3k n HIS 11 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 176.34 178.30 1z3k h GLN 12 N -0.93 0.03 -0.92 1.57 7.50 0.47 -2.61 115.11 120.22 1z3k h GLN 12 Ca -0.49 -0.05 0.15 0.00 0.50 0.00 0.00 58.65 58.76 1z3k h GLN 12 Cb 1.41 0.02 -0.09 0.00 0.05 0.00 0.00 27.48 28.86 1z3k h GLN 12 CO -0.30 0.93 0.52 0.00 -1.50 0.00 0.00 178.83 178.49 1z3k h ALA 13 N 1.05 1.42 0.02 3.87 0.00 -1.73 1.35 119.26 125.24 1z3k h ALA 13 Ca -0.02 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1z3k h ALA 13 Cb 1.62 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.34 1z3k h ALA 13 CO 0.12 -0.01 -0.01 1.05 0.00 0.00 0.00 179.25 180.40 1z3k h GLU 14 N 0.74 -0.03 0.00 0.00 4.11 -1.76 0.44 114.58 118.08 1z3k h GLU 14 Ca 0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.93 1z3k h GLU 14 Cb 0.68 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.93 1z3k h GLU 14 CO -0.34 0.63 0.09 0.00 0.07 0.00 0.00 179.01 179.45 1z3k n ALA 16 N -1.36 1.84 -0.59 0.00 0.00 0.46 -4.74 120.51 116.12 1z3k n ALA 16 Ca 0.00 -0.37 0.03 0.00 0.00 0.00 0.00 53.44 53.10 1z3k n ALA 16 Cb 0.09 0.21 0.04 0.00 0.00 0.00 0.00 19.45 19.79 1z3k n ALA 16 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1z3k n LEU 17 N -2.45 1.70 -0.37 0.00 4.77 0.15 -4.76 117.00 116.04 1z3k n LEU 17 Ca -0.12 -1.98 0.30 0.00 -0.03 0.00 0.00 56.01 54.18 1z3k n LEU 17 Cb 0.67 -0.12 0.56 0.00 -2.33 0.00 0.00 43.42 42.20 1z3k n LEU 17 CO 0.10 0.48 1.17 -0.55 -1.33 0.00 0.00 177.39 177.26 1z3k h ASN 18 N 0.00 0.38 -0.69 -1.43 -1.07 0.41 1.40 115.58 114.59 1z3k h ASN 18 Ca 0.00 0.16 0.18 0.00 0.07 0.00 0.00 56.30 56.72 1z3k h ASN 18 Cb 0.78 0.13 -0.03 0.00 -2.07 0.00 0.00 38.32 37.12 1z3k h ASN 18 CO 0.00 -0.16 0.48 -0.33 0.07 0.00 0.00 177.43 177.50 1z3k h GLU 19 N 0.21 0.11 -3.05 4.14 4.39 -1.86 -3.47 114.58 115.05 1z3k h GLU 19 Ca 0.76 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 60.45 1z3k h GLU 19 Cb 2.05 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 30.68 1z3k h GLU 19 CO -0.51 0.07 -0.00 -2.13 -1.16 0.00 0.00 179.01 175.27 1z3k n ARG 20 N -4.38 -0.04 0.00 2.33 0.63 0.48 -4.90 116.66 110.78 1z3k n ARG 20 Ca 0.13 0.53 0.00 0.00 -0.92 0.00 0.00 57.85 57.59 1z3k n ARG 20 Cb 0.68 -1.59 0.00 0.00 0.45 0.00 0.00 32.46 32.01 1z3k n ARG 20 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1z3k n GLY 21 N -0.78 0.82 2.81 5.14 0.00 -1.26 -4.89 105.19 107.03 1z3k n GLY 21 Ca 0.00 -0.75 -0.22 0.00 0.00 0.00 0.00 46.02 45.05 1z3k n GLY 21 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1z3k s VAL 22 N -1.95 0.42 0.00 1.61 -7.23 -1.26 -4.61 120.40 107.38 1z3k s VAL 22 Ca 0.00 0.05 0.00 0.00 -1.81 0.00 0.00 61.98 60.22 1z3k s VAL 22 Cb 0.00 -0.54 0.00 0.00 0.56 0.00 0.00 36.38 36.40 1z3k s VAL 22 CO 0.00 0.25 0.00 -1.84 -0.31 0.00 0.00 175.10 173.20 1z3k n GLU 23 N 4.84 0.00 -3.54 4.82 0.28 -1.26 -4.20 120.64 121.58 1z3k n GLU 23 Ca -0.12 0.00 -0.40 0.00 -0.16 0.00 0.00 57.16 56.48 1z3k n GLU 23 Cb 0.50 0.00 -0.05 0.00 1.43 0.00 0.00 31.44 33.32 1z3k n GLU 23 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 1z3k s GLY 24 N -1.55 2.94 -0.11 -1.84 0.00 -1.26 -4.11 107.32 101.39 1z3k s GLY 24 Ca 0.00 -3.65 0.02 0.00 0.00 0.00 0.00 44.72 41.09 1z3k s GLY 24 CO 0.00 1.21 -0.18 -0.35 0.00 0.00 0.00 173.10 173.79 1z3k s ASP 25 N 0.68 3.65 0.07 1.64 -1.08 -1.26 -4.79 116.67 115.58 1z3k s ASP 25 Ca 0.25 -0.40 0.05 0.00 -0.52 0.00 0.00 52.55 51.92 1z3k s ASP 25 Cb -0.11 -1.40 -0.03 0.00 -1.46 0.00 0.00 42.92 39.92 1z3k s ASP 25 CO -0.09 0.19 -0.13 0.12 0.52 0.00 0.00 175.17 175.77 1z3k s PHE 26 N 0.19 1.16 -0.24 -5.34 2.19 -1.17 -3.00 117.98 111.77 1z3k s PHE 26 Ca -0.10 -0.47 -0.16 0.00 0.33 0.00 0.00 56.93 56.53 1z3k s PHE 26 Cb -0.16 -0.65 0.07 0.00 -1.31 0.00 0.00 43.02 40.97 1z3k s PHE 26 CO 0.06 0.04 0.60 -0.48 1.83 0.00 0.00 175.22 177.27 1z3k s LEU 27 N -1.74 -0.55 -0.04 6.12 2.34 -1.00 -2.43 118.68 121.38 1z3k s LEU 27 Ca -0.03 1.28 0.04 0.00 0.06 0.00 0.00 54.13 55.48 1z3k s LEU 27 Cb -0.10 2.04 -0.00 0.00 -0.56 0.00 0.00 46.19 47.57 1z3k s LEU 27 CO 0.02 -0.22 -0.17 -0.51 -1.06 0.00 0.00 176.35 174.41 1z3k s ILE 28 N 1.16 1.42 0.06 1.48 2.07 -1.25 -1.93 121.20 124.21 1z3k s ILE 28 Ca -0.07 -0.71 0.01 0.00 -1.41 0.00 0.00 60.65 58.47 1z3k s ILE 28 Cb -0.06 -1.22 -0.03 0.00 0.13 0.00 0.00 42.46 41.28 1z3k s ILE 28 CO -0.12 0.41 -0.05 0.00 -1.91 0.00 0.00 174.94 173.27 1z3k s ARG 29 N 0.02 0.64 0.32 3.50 1.70 -0.85 -4.69 118.95 119.59 1z3k s ARG 29 Ca -0.03 -1.09 -0.11 0.00 -0.47 0.00 0.00 55.73 54.02 1z3k s ARG 29 Cb -0.11 -0.07 -0.07 0.00 -0.57 0.00 0.00 34.95 34.13 1z3k s ARG 29 CO 0.02 -0.03 0.68 -0.51 -1.08 0.00 0.00 175.30 174.37 1z3k s ASP 30 N -2.51 6.62 0.05 -2.89 1.11 -1.26 -1.73 116.67 116.06 1z3k s ASP 30 Ca 0.02 1.07 -0.13 0.00 0.18 0.00 0.00 52.55 53.70 1z3k s ASP 30 Cb 0.01 -2.29 -0.06 0.00 1.07 0.00 0.00 42.92 41.65 1z3k s ASP 30 CO -0.05 -0.23 0.44 -0.55 1.18 0.00 0.00 175.17 175.97 1z3k s SER 31 N -2.67 6.78 0.14 0.27 0.15 -0.11 -4.93 113.70 113.33 1z3k s SER 31 Ca 0.50 0.95 -0.03 0.00 0.70 0.00 0.00 55.95 58.07 1z3k s SER 31 Cb -0.11 -2.24 -0.07 0.00 -1.71 0.00 0.00 66.02 61.90 1z3k s SER 31 CO 0.24 0.24 1.33 1.05 1.20 0.00 0.00 173.24 177.30 1z3k h GLU 32 N 4.20 0.38 0.15 5.44 4.11 -1.98 -3.31 114.58 123.58 1z3k h GLU 32 Ca -0.50 -0.40 -0.01 0.00 0.07 0.00 0.00 59.36 58.52 1z3k h GLU 32 Cb 1.21 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.57 1z3k h GLU 32 CO 0.64 1.07 -0.07 1.03 0.07 0.00 0.00 179.01 181.74 1z3k h SER 33 N 0.22 -0.18 -3.07 3.06 0.87 -1.99 -3.43 113.55 109.04 1z3k h SER 33 Ca -0.07 -0.15 -0.66 0.00 -1.23 0.00 0.00 61.79 59.68 1z3k h SER 33 Cb 1.54 0.05 -0.12 0.00 -0.44 0.00 0.00 62.40 63.42 1z3k h SER 33 CO 0.15 0.04 -0.56 -0.44 -0.53 0.00 0.00 176.83 175.50 1z3k s SER 34 N -5.18 5.75 0.40 6.23 0.01 -1.25 -5.00 113.70 114.66 1z3k s SER 34 Ca -0.15 0.25 0.22 0.00 1.31 0.00 0.00 55.95 57.58 1z3k s SER 34 Cb 0.04 -1.80 0.61 0.00 0.21 0.00 0.00 66.02 65.07 1z3k s SER 34 CO 0.63 0.34 1.69 1.55 0.41 0.00 0.00 173.24 177.87 1z3k h PRO 35 N 5.44 0.00 -2.25 12.44 0.13 -1.83 -3.33 132.00 142.59 1z3k h PRO 35 Ca -0.49 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.06 1z3k h PRO 35 Cb 1.20 0.00 -0.42 0.00 0.13 0.00 0.00 31.00 31.91 1z3k h PRO 35 CO 0.59 0.27 -0.71 0.43 -0.23 0.00 0.00 178.00 178.35 1z3k n SER 36 N -3.29 4.05 -3.86 1.44 7.64 -1.26 -4.95 113.62 113.39 1z3k n SER 36 Ca 0.01 -3.60 -0.15 0.00 1.01 0.00 0.00 58.87 56.13 1z3k n SER 36 Cb 0.53 -0.57 -0.15 0.00 -1.01 0.00 0.00 64.21 63.01 1z3k n SER 36 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1z3k s ASP 37 N -3.34 0.33 -0.01 6.43 2.15 -1.25 -3.11 116.67 117.87 1z3k s ASP 37 Ca 0.48 -0.03 -0.04 0.00 0.43 0.00 0.00 52.55 53.39 1z3k s ASP 37 Cb 0.29 -0.13 -0.00 0.00 -0.30 0.00 0.00 42.92 42.78 1z3k s ASP 37 CO -0.13 -0.04 0.08 -0.36 -0.17 0.00 0.00 175.17 174.54 1z3k s PHE 38 N 0.54 0.05 0.01 -5.34 0.40 0.18 -0.93 117.98 112.88 1z3k s PHE 38 Ca -0.05 -0.11 0.04 0.00 -0.60 0.00 0.00 56.93 56.21 1z3k s PHE 38 Cb -0.08 -0.06 -0.01 0.00 0.51 0.00 0.00 43.02 43.38 1z3k s PHE 38 CO -0.01 -0.18 -0.13 -1.12 0.70 0.00 0.00 175.22 174.48 1z3k s SER 39 N -0.92 1.54 -0.02 1.36 0.01 -0.71 0.12 113.70 115.08 1z3k s SER 39 Ca -0.10 -0.31 0.04 0.00 1.31 0.00 0.00 55.95 56.89 1z3k s SER 39 Cb -0.06 -0.14 -0.01 0.00 0.21 0.00 0.00 66.02 66.02 1z3k s SER 39 CO 0.00 0.11 -0.14 0.68 0.41 0.00 0.00 173.24 174.30 1z3k s VAL 40 N -0.50 1.15 -0.08 3.43 -7.23 -0.88 -2.00 120.40 114.28 1z3k s VAL 40 Ca 0.04 -0.59 0.03 0.00 -1.81 0.00 0.00 61.98 59.65 1z3k s VAL 40 Cb -0.06 -0.98 0.01 0.00 0.56 0.00 0.00 36.38 35.91 1z3k s VAL 40 CO 0.00 0.33 -0.19 -0.55 -0.31 0.00 0.00 175.10 174.39 1z3k s SER 41 N -0.11 2.47 0.12 4.85 0.15 -0.81 -2.64 113.70 117.74 1z3k s SER 41 Ca 0.01 -0.44 0.04 0.00 0.70 0.00 0.00 55.95 56.26 1z3k s SER 41 Cb -0.08 -1.11 -0.04 0.00 -1.71 0.00 0.00 66.02 63.08 1z3k s SER 41 CO 0.00 0.11 -0.09 -0.22 1.20 0.00 0.00 173.24 174.24 1z3k s LEU 42 N 0.46 2.50 0.00 3.45 2.96 -1.09 -2.38 118.68 124.57 1z3k s LEU 42 Ca -0.16 -0.96 0.08 0.00 -0.22 0.00 0.00 54.13 52.87 1z3k s LEU 42 Cb -0.17 -0.27 0.08 0.00 0.50 0.00 0.00 46.19 46.33 1z3k s LEU 42 CO 0.06 -0.35 0.68 0.29 -1.32 0.00 0.00 176.35 175.72 1z3k n LYS 43 N 0.02 0.63 -3.31 1.98 4.76 -1.16 -2.71 118.16 118.36 1z3k n LYS 43 Ca -0.12 -3.22 0.01 0.00 -2.87 0.00 0.00 58.31 52.11 1z3k n LYS 43 Cb 0.60 -0.06 0.01 0.00 -1.84 0.00 0.00 35.03 33.74 1z3k n LYS 43 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1z3k n ALA 44 N -2.19 -2.43 -1.75 7.82 0.00 -0.46 -4.62 120.51 116.87 1z3k n ALA 44 Ca -0.15 -0.58 -0.19 0.00 0.00 0.00 0.00 53.44 52.53 1z3k n ALA 44 Cb 0.61 0.14 -0.09 0.00 0.00 0.00 0.00 19.45 20.11 1z3k n ALA 44 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1z3k s SER 45 N -2.94 3.97 0.00 0.00 0.15 -1.26 -3.07 113.70 110.56 1z3k s SER 45 Ca 0.20 -1.10 0.00 0.00 0.70 0.00 0.00 55.95 55.75 1z3k s SER 45 Cb -0.01 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.71 1z3k s SER 45 CO 0.00 -4.17 0.00 0.61 1.20 0.00 0.00 173.24 170.88 1z3k n GLY 46 N 6.11 0.84 3.78 9.45 0.00 -1.26 -4.97 105.19 119.13 1z3k n GLY 46 Ca 0.43 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.22 1z3k n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1z3k s LYS 47 N -0.32 2.53 -0.23 1.61 -0.14 -1.17 -4.90 119.74 117.13 1z3k s LYS 47 Ca 0.00 -1.41 -0.04 0.00 -1.36 0.00 0.00 55.97 53.16 1z3k s LYS 47 Cb 0.00 -2.31 0.08 0.00 -1.68 0.00 0.00 37.83 33.92 1z3k s LYS 47 CO 0.00 0.15 0.10 0.54 -0.76 0.00 0.00 175.35 175.37 1z3k s ASN 48 N -3.88 2.96 -0.55 2.83 2.20 -1.26 -1.35 114.94 115.88 1z3k s ASN 48 Ca 0.38 -0.95 -0.24 0.00 -0.94 0.00 0.00 52.86 51.11 1z3k s ASN 48 Cb -0.04 -0.36 0.04 0.00 -2.00 0.00 0.00 41.25 38.89 1z3k s ASN 48 CO 0.24 -0.38 0.93 -0.54 -2.94 0.00 0.00 177.10 174.40 1z3k s LYS 49 N 2.06 3.32 -0.05 3.55 3.01 -1.10 -4.96 119.74 125.56 1z3k s LYS 49 Ca 0.05 -0.31 -0.01 0.00 -1.01 0.00 0.00 55.97 54.69 1z3k s LYS 49 Cb -0.16 -4.06 -0.03 0.00 -1.01 0.00 0.00 37.83 32.56 1z3k s LYS 49 CO -0.20 -1.48 0.01 -3.38 0.51 0.00 0.00 175.35 170.81 1z3k s HIS 50 N 3.88 3.15 -0.13 3.18 -3.43 -1.26 -2.68 115.29 118.00 1z3k s HIS 50 Ca 0.29 0.16 -0.09 0.00 -0.80 0.00 0.00 55.06 54.63 1z3k s HIS 50 Cb -0.13 -1.75 0.04 0.00 -1.43 0.00 0.00 32.58 29.32 1z3k s HIS 50 CO 0.19 0.47 0.32 -0.06 -2.00 0.00 0.00 174.74 173.66 1z3k s PHE 51 N -0.97 -0.42 -0.18 0.38 0.08 -1.08 -4.96 117.98 110.83 1z3k s PHE 51 Ca 0.16 0.96 -0.18 0.00 0.12 0.00 0.00 56.93 57.99 1z3k s PHE 51 Cb -0.11 0.14 -0.04 0.00 -0.57 0.00 0.00 43.02 42.44 1z3k s PHE 51 CO 0.06 -0.24 0.48 0.21 -0.10 0.00 0.00 175.22 175.63 1z3k s LYS 52 N 0.91 4.22 -0.41 0.44 2.20 -1.26 -2.08 119.74 123.76 1z3k s LYS 52 Ca -0.06 0.37 -0.13 0.00 -0.36 0.00 0.00 55.97 55.80 1z3k s LYS 52 Cb -0.07 -3.52 0.04 0.00 -1.51 0.00 0.00 37.83 32.77 1z3k s LYS 52 CO -0.07 -0.05 0.28 0.08 -0.36 0.00 0.00 175.35 175.23 1z3k s VAL 53 N 1.31 4.81 -0.00 4.02 1.01 0.32 -2.40 120.40 129.47 1z3k s VAL 53 Ca 0.23 -0.95 0.06 0.00 0.00 0.00 0.00 61.98 61.33 1z3k s VAL 53 Cb -0.15 -3.77 -0.02 0.00 0.00 0.00 0.00 36.38 32.44 1z3k s VAL 53 CO 0.09 -0.37 -0.19 -1.58 0.00 0.00 0.00 175.10 173.05 1z3k s GLN 54 N 1.58 1.53 -0.35 2.72 0.74 -0.03 0.48 119.66 126.32 1z3k s GLN 54 Ca 0.03 -0.73 -0.25 0.00 0.05 0.00 0.00 55.36 54.46 1z3k s GLN 54 Cb -0.21 -1.50 0.01 0.00 1.10 0.00 0.00 33.01 32.41 1z3k s GLN 54 CO 0.07 0.41 0.88 -1.17 -0.55 0.00 0.00 175.29 174.92 1z3k s LEU 55 N -0.59 4.04 -0.06 3.68 1.98 -1.18 0.56 118.68 127.12 1z3k s LEU 55 Ca 0.07 0.58 0.02 0.00 -2.89 0.00 0.00 54.13 51.91 1z3k s LEU 55 Cb -0.08 -3.19 -0.03 0.00 0.66 0.00 0.00 46.19 43.55 1z3k s LEU 55 CO -0.00 -0.78 -0.09 0.54 -1.89 0.00 0.00 176.35 174.13 1z3k s VAL 56 N 3.29 3.54 -0.57 1.68 0.11 0.48 -4.76 120.40 124.16 1z3k s VAL 56 Ca 0.36 -0.56 -0.03 0.00 -2.93 0.00 0.00 61.98 58.82 1z3k s VAL 56 Cb -0.13 -2.44 0.00 0.00 -1.53 0.00 0.00 36.38 32.29 1z3k s VAL 56 CO 0.17 0.59 0.06 -0.90 -3.33 0.00 0.00 175.10 171.68 1z3k n ASP 57 N 2.21 -0.08 -0.85 3.54 5.68 -1.26 0.25 116.55 126.03 1z3k n ASP 57 Ca -0.18 -0.50 -0.08 0.00 -0.50 0.00 0.00 54.79 53.53 1z3k n ASP 57 Cb 0.53 -0.61 -0.01 0.00 -1.14 0.00 0.00 41.12 39.88 1z3k n ASP 57 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1z3k n ASN 58 N -0.78 -3.16 -3.71 -1.12 4.05 -1.26 -5.02 115.26 104.26 1z3k n ASN 58 Ca -0.11 0.04 -0.12 0.00 0.45 0.00 0.00 54.58 54.84 1z3k n ASN 58 Cb 0.26 -2.21 -0.13 0.00 1.23 0.00 0.00 39.78 38.93 1z3k n ASN 58 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 177.26 174.89 1z3k s VAL 59 N -2.38 -0.13 0.01 3.44 -7.23 0.69 -5.00 120.40 109.80 1z3k s VAL 59 Ca 0.00 0.17 -0.30 0.00 -1.81 0.00 0.00 61.98 60.03 1z3k s VAL 59 Cb 0.00 -0.44 -0.04 0.00 0.56 0.00 0.00 36.38 36.45 1z3k s VAL 59 CO 0.00 0.07 1.14 -0.31 -0.31 0.00 0.00 175.10 175.69 1z3k s TYR 60 N 1.57 3.43 0.13 2.82 2.02 -0.41 0.18 117.35 127.09 1z3k s TYR 60 Ca -0.07 1.38 0.08 0.00 -0.37 0.00 0.00 57.07 58.09 1z3k s TYR 60 Cb -0.10 -3.34 -0.04 0.00 -0.40 0.00 0.00 41.96 38.07 1z3k s TYR 60 CO -0.09 -0.95 -0.10 0.00 -1.57 0.00 0.00 175.55 172.83 1z3k s ILE 62 N -1.38 -0.16 0.00 0.00 1.01 0.46 -0.85 121.20 120.28 1z3k s ILE 62 Ca 0.22 0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.98 1z3k s ILE 62 Cb -0.10 -0.42 0.00 0.00 0.01 0.00 0.00 42.46 41.95 1z3k s ILE 62 CO 0.14 -0.06 0.00 0.61 0.00 0.00 0.00 174.94 175.63 1z3k n GLY 63 N 5.30 2.05 1.08 6.18 0.00 -1.01 -2.85 105.19 115.94 1z3k n GLY 63 Ca -0.05 0.14 -0.02 0.00 0.00 0.00 0.00 46.02 46.09 1z3k n GLY 63 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1z3k n GLN 64 N 0.00 0.00 -3.95 1.61 10.64 -1.26 -4.87 117.38 119.55 1z3k n GLN 64 Ca 0.00 -1.24 -0.09 0.00 -1.83 0.00 0.00 57.00 53.84 1z3k n GLN 64 Cb 0.00 0.20 -0.10 0.00 -0.86 0.00 0.00 30.24 29.48 1z3k n GLN 64 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.06 175.73 1z3k s ARG 65 N 0.00 0.49 -0.07 2.61 6.06 -1.13 -5.16 118.95 121.75 1z3k s ARG 65 Ca 0.12 -0.70 0.04 0.00 -2.50 0.00 0.00 55.73 52.69 1z3k s ARG 65 Cb 0.13 0.19 -0.02 0.00 0.06 0.00 0.00 34.95 35.32 1z3k s ARG 65 CO -0.06 -0.11 -0.19 1.03 -2.50 0.00 0.00 175.30 173.47 1z3k s ARG 66 N -2.19 2.76 0.10 5.12 3.00 -1.26 -0.41 118.95 126.07 1z3k s ARG 66 Ca -0.09 -0.80 0.01 0.00 0.00 0.00 0.00 55.73 54.86 1z3k s ARG 66 Cb -0.04 -2.34 -0.04 0.00 0.00 0.00 0.00 34.95 32.53 1z3k s ARG 66 CO -0.03 0.40 -0.04 -0.06 0.00 0.00 0.00 175.30 175.57 1z3k s PHE 67 N -0.17 0.84 -0.51 -0.53 0.08 0.33 -4.96 117.98 113.06 1z3k s PHE 67 Ca -0.02 -0.99 0.04 0.00 0.12 0.00 0.00 56.93 56.08 1z3k s PHE 67 Cb -0.14 -0.50 0.30 0.00 -0.57 0.00 0.00 43.02 42.11 1z3k s PHE 67 CO 0.03 -0.24 1.12 -2.39 -0.10 0.00 0.00 175.22 173.65 1z3k n HIS 68 N -0.03 0.95 -4.18 0.36 1.44 -1.26 -1.28 115.22 111.21 1z3k n HIS 68 Ca -0.11 -0.55 -0.11 0.00 -2.01 0.00 0.00 57.72 54.93 1z3k n HIS 68 Cb 0.61 -0.36 -0.10 0.00 0.12 0.00 0.00 29.99 30.27 1z3k n HIS 68 CO 0.00 0.00 0.00 -0.08 -2.81 0.00 0.00 176.34 173.45 1z3k s THR 69 N -1.53 0.62 0.00 0.61 -1.32 -1.26 -4.96 115.64 107.80 1z3k s THR 69 Ca 0.21 -1.94 0.00 0.00 -1.21 0.00 0.00 61.69 58.76 1z3k s THR 69 Cb 0.17 -1.79 0.00 0.00 -1.51 0.00 0.00 72.50 69.37 1z3k s THR 69 CO 0.05 -0.77 0.00 0.80 -2.21 0.00 0.00 174.62 172.49 1z3k n MET 70 N -0.08 0.00 0.00 7.08 1.56 -1.26 -4.57 117.12 119.85 1z3k n MET 70 Ca -0.11 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.32 1z3k n MET 70 Cb 0.61 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.98 1z3k n MET 70 CO 0.00 0.00 0.00 -3.47 -0.73 0.00 0.00 175.97 171.77 1z3k n ASP 71 N 0.00 0.00 -0.01 6.12 2.03 -1.26 -4.53 116.55 118.90 1z3k n ASP 71 Ca 0.00 0.00 0.07 0.00 0.52 0.00 0.00 54.79 55.38 1z3k n ASP 71 Cb 0.00 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.29 1z3k n ASP 71 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1z3k n GLU 72 N -0.75 0.73 0.00 -0.67 -0.58 -1.26 -4.29 120.64 113.82 1z3k n GLU 72 Ca 0.00 -0.11 0.15 0.00 -0.42 0.00 0.00 57.16 56.78 1z3k n GLU 72 Cb 0.00 -1.32 0.83 0.00 -0.57 0.00 0.00 31.44 30.38 1z3k n GLU 72 CO 0.00 0.00 0.00 1.47 -0.48 0.00 0.00 177.13 178.12 1z3k n LEU 73 N -1.91 0.22 0.02 -4.62 -0.00 -1.26 -2.75 117.00 106.70 1z3k n LEU 73 Ca -0.02 -0.00 0.12 0.00 -0.00 0.00 0.00 56.01 56.11 1z3k n LEU 73 Cb 0.36 -0.07 0.12 0.00 -0.00 0.00 0.00 43.42 43.82 1z3k n LEU 73 CO 0.31 0.04 0.22 0.52 -0.00 0.00 0.00 177.39 178.47 1z3k n VAL 74 N -0.92 0.14 -0.07 1.47 0.31 -1.26 0.83 118.33 118.83 1z3k n VAL 74 Ca 0.21 -0.15 -0.05 0.00 -0.01 0.00 0.00 64.34 64.33 1z3k n VAL 74 Cb 0.18 0.22 -0.16 0.00 -0.91 0.00 0.00 33.84 33.17 1z3k n VAL 74 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1z3k n GLU 75 N -1.80 0.68 -0.00 5.55 -0.58 -1.11 -4.41 120.64 118.97 1z3k n GLU 75 Ca 0.04 -0.03 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 1z3k n GLU 75 Cb 0.39 -1.54 0.00 0.00 -0.57 0.00 0.00 31.44 29.73 1z3k n GLU 75 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 1z3k n HIS 76 N -2.67 0.00 -4.00 -0.32 8.25 -1.15 -5.02 115.22 110.31 1z3k n HIS 76 Ca -0.26 -0.24 -0.34 0.00 -0.26 0.00 0.00 57.72 56.62 1z3k n HIS 76 Cb 1.03 -0.02 -0.01 0.00 1.12 0.00 0.00 29.99 32.10 1z3k n HIS 76 CO 0.00 0.00 0.00 2.48 0.64 0.00 0.00 176.34 179.46 1z3k n TYR 77 N -0.23 -1.55 0.00 4.41 4.11 0.24 -4.96 117.16 119.18 1z3k n TYR 77 Ca 0.00 0.45 0.00 0.00 -0.00 0.00 0.00 57.90 58.35 1z3k n TYR 77 Cb 0.12 -3.20 0.00 0.00 -0.00 0.00 0.00 39.34 36.26 1z3k n TYR 77 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 1z3k n LYS 78 N -4.58 0.00 -1.21 -3.48 4.76 -0.93 -4.35 118.16 108.37 1z3k n LYS 78 Ca -0.20 0.00 -0.36 0.00 -2.87 0.00 0.00 58.31 54.88 1z3k n LYS 78 Cb 0.63 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.80 1z3k n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1z3k n LYS 79 N 0.00 2.65 -4.05 1.97 4.01 -1.26 -4.86 118.16 116.62 1z3k n LYS 79 Ca 0.00 -2.01 -0.26 0.00 -0.51 0.00 0.00 58.31 55.52 1z3k n LYS 79 Cb 0.00 -2.83 -0.05 0.00 -0.51 0.00 0.00 35.03 31.64 1z3k n LYS 79 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1z3k s ALA 80 N 3.27 3.67 -0.79 7.82 0.00 -1.26 -4.88 121.76 129.59 1z3k s ALA 80 Ca 0.54 -1.16 0.00 0.00 0.00 0.00 0.00 51.96 51.34 1z3k s ALA 80 Cb 0.14 -1.47 0.00 0.00 0.00 0.00 0.00 23.12 21.79 1z3k s ALA 80 CO -0.03 0.53 0.05 -0.35 0.00 0.00 0.00 175.76 175.96 1z3k n PRO 81 N -0.35 0.08 -1.80 0.00 -0.04 -1.26 -4.80 135.00 126.83 1z3k n PRO 81 Ca -0.08 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.97 1z3k n PRO 81 Cb 0.54 -1.13 -0.01 0.00 -0.04 0.00 0.00 33.50 32.87 1z3k n PRO 81 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1z3k s ILE 82 N -0.60 2.08 -0.04 0.52 -1.09 -1.26 -4.97 121.20 115.84 1z3k s ILE 82 Ca 0.00 0.07 -0.03 0.00 -2.23 0.00 0.00 60.65 58.46 1z3k s ILE 82 Cb 0.00 -3.04 0.02 0.00 -1.58 0.00 0.00 42.46 37.85 1z3k s ILE 82 CO 0.00 0.01 0.10 0.12 -1.23 0.00 0.00 174.94 173.95 1z3k s PHE 83 N -0.70 -0.11 0.11 3.97 2.19 -1.17 -4.88 117.98 117.39 1z3k s PHE 83 Ca 0.57 0.30 0.08 0.00 0.33 0.00 0.00 56.93 58.21 1z3k s PHE 83 Cb -0.47 -0.01 -0.04 0.00 -1.31 0.00 0.00 43.02 41.19 1z3k s PHE 83 CO 0.57 -0.08 -0.14 0.99 1.83 0.00 0.00 175.22 178.39 1z3k s THR 84 N 0.38 3.09 -0.04 0.12 2.01 -1.26 0.13 115.64 120.07 1z3k s THR 84 Ca -0.03 -1.38 0.05 0.00 0.31 0.00 0.00 61.69 60.64 1z3k s THR 84 Cb -0.04 -2.43 -0.02 0.00 0.01 0.00 0.00 72.50 70.02 1z3k s THR 84 CO -0.01 0.11 -0.18 -0.55 -0.69 0.00 0.00 174.62 173.29 1z3k s SER 85 N -2.15 3.69 0.07 3.53 0.15 -0.67 -4.93 113.70 113.38 1z3k s SER 85 Ca 0.19 -0.29 -0.11 0.00 0.70 0.00 0.00 55.95 56.44 1z3k s SER 85 Cb -0.11 -0.67 -0.01 0.00 -1.71 0.00 0.00 66.02 63.53 1z3k s SER 85 CO 0.12 0.34 0.61 1.21 1.20 0.00 0.00 173.24 176.72 1z3k n GLU 86 N 2.35 -0.16 -0.17 5.44 4.07 -1.26 -0.26 120.64 130.65 1z3k n GLU 86 Ca -0.17 0.60 0.08 0.00 -0.06 0.00 0.00 57.16 57.62 1z3k n GLU 86 Cb 0.52 -0.89 0.11 0.00 -0.06 0.00 0.00 31.44 31.12 1z3k n GLU 86 CO 0.00 0.00 0.00 -2.39 -0.06 0.00 0.00 177.13 174.68 1z3k n HIS 87 N -4.51 0.00 0.78 4.31 1.44 -1.26 -4.65 115.22 111.32 1z3k n HIS 87 Ca 0.01 -0.81 0.10 0.00 -2.01 0.00 0.00 57.72 55.02 1z3k n HIS 87 Cb 0.11 -0.13 -0.13 0.00 0.12 0.00 0.00 29.99 29.96 1z3k n HIS 87 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1z3k n GLY 88 N -1.14 -0.99 0.03 -1.39 0.00 0.64 -5.09 105.19 97.25 1z3k n GLY 88 Ca 0.13 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.57 1z3k n GLY 88 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1z3k n GLU 89 N -1.66 -0.06 -3.05 1.61 1.02 -0.91 -4.67 120.64 112.91 1z3k n GLU 89 Ca 0.02 0.04 -0.40 0.00 -0.02 0.00 0.00 57.16 56.81 1z3k n GLU 89 Cb 0.38 -0.07 -0.05 0.00 -0.02 0.00 0.00 31.44 31.68 1z3k n GLU 89 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1z3k s LYS 90 N -1.52 4.44 -1.02 3.49 3.01 -1.26 -1.67 119.74 125.20 1z3k s LYS 90 Ca 0.00 0.87 -0.23 0.00 -1.01 0.00 0.00 55.97 55.60 1z3k s LYS 90 Cb 0.00 -3.45 0.03 0.00 -1.01 0.00 0.00 37.83 33.41 1z3k s LYS 90 CO 0.00 0.07 1.57 -0.51 0.51 0.00 0.00 175.35 176.99 1z3k s LEU 91 N 0.78 3.45 0.13 3.17 1.43 0.35 -4.89 118.68 123.10 1z3k s LEU 91 Ca 0.37 -1.38 0.04 0.00 -1.03 0.00 0.00 54.13 52.13 1z3k s LEU 91 Cb -0.18 -2.57 -0.04 0.00 0.03 0.00 0.00 46.19 43.44 1z3k s LEU 91 CO 0.18 -1.74 0.10 -0.31 0.23 0.00 0.00 176.35 174.81 1z3k s TYR 92 N 5.99 3.15 -1.38 0.29 2.02 -1.26 -3.07 117.35 123.09 1z3k s TYR 92 Ca 0.51 0.02 -0.08 0.00 -0.37 0.00 0.00 57.07 57.15 1z3k s TYR 92 Cb -0.01 -1.55 0.08 0.00 -0.40 0.00 0.00 41.96 40.08 1z3k s TYR 92 CO -0.07 0.52 2.36 1.28 -1.57 0.00 0.00 175.55 178.07 1z3k n LEU 93 N 0.02 7.76 0.00 -1.29 4.77 -1.26 -4.42 117.00 122.58 1z3k n LEU 93 Ca -0.09 -4.67 0.00 0.00 -0.03 0.00 0.00 56.01 51.23 1z3k n LEU 93 Cb 0.53 -1.45 0.00 0.00 -2.33 0.00 0.00 43.42 40.17 1z3k n LEU 93 CO 0.43 1.82 0.00 0.55 -1.33 0.00 0.00 177.39 178.86 1z3k n VAL 94 N 2.76 0.00 -3.83 4.08 3.14 -1.26 -4.49 118.33 118.74 1z3k n VAL 94 Ca 0.59 0.16 -0.05 0.00 -2.96 0.00 0.00 64.34 62.08 1z3k n VAL 94 Cb 0.28 -1.04 0.01 0.00 -1.06 0.00 0.00 33.84 32.03 1z3k n VAL 94 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 1z3k s ARG 95 N 0.00 1.57 0.03 1.45 3.00 -1.02 -4.84 118.95 119.15 1z3k s ARG 95 Ca 0.00 -0.96 -0.30 0.00 0.00 0.00 0.00 55.73 54.46 1z3k s ARG 95 Cb 0.00 0.47 -0.04 0.00 0.00 0.00 0.00 34.95 35.38 1z3k s ARG 95 CO 0.00 -0.73 1.12 0.00 0.00 0.00 0.00 175.30 175.69 1z3k s ALA 96 N -2.72 3.32 0.00 2.13 0.00 -1.15 -3.06 121.76 120.28 1z3k s ALA 96 Ca 0.16 0.72 0.00 0.00 0.00 0.00 0.00 51.96 52.84 1z3k s ALA 96 Cb -0.03 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.67 1z3k s ALA 96 CO 0.06 -0.39 0.00 1.28 0.00 0.00 0.00 175.76 176.71 1z3k n LEU 97 N 4.03 0.00 0.00 0.00 7.99 -1.26 -4.87 117.00 122.89 1z3k n LEU 97 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.08 1z3k n LEU 97 Cb 0.48 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.79 1z3k n LEU 97 CO 0.54 0.00 0.17 0.00 -1.51 0.00 0.00 177.39 176.59