#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 -2.12 -0.06 5.56 1.02 -1.26 -4.75 120.64 119.03 1z3k n GLU 2 Ca 0.00 0.34 -0.08 0.00 -0.02 0.00 0.00 57.16 57.40 1z3k n GLU 2 Cb 0.00 -4.75 -0.15 0.00 -0.02 0.00 0.00 31.44 26.52 1z3k n GLU 2 CO 0.00 0.00 0.00 -2.67 1.18 0.00 0.00 177.13 175.64 1z3k n TRP 3 N -2.47 0.44 -4.33 -0.32 2.14 -1.26 -4.83 117.44 106.81 1z3k n TRP 3 Ca -0.07 0.16 -0.19 0.00 2.07 0.00 0.00 57.50 59.46 1z3k n TRP 3 Cb 0.45 -1.06 -0.10 0.00 -0.81 0.00 0.00 31.31 29.78 1z3k n TRP 3 CO 0.00 0.00 0.00 0.71 2.07 0.00 0.00 177.69 180.47 1z3k s TYR 4 N -2.59 1.71 0.00 -2.67 1.51 -1.26 -4.75 117.35 109.31 1z3k s TYR 4 Ca -0.07 -0.54 0.00 0.00 -1.01 0.00 0.00 57.07 55.44 1z3k s TYR 4 Cb 0.07 -0.82 0.00 0.00 -0.11 0.00 0.00 41.96 41.10 1z3k s TYR 4 CO 0.83 0.33 0.00 0.98 -1.11 0.00 0.00 175.55 176.58 1z3k n TYR 5 N -0.12 0.00 0.00 2.71 9.36 -1.26 -4.95 117.16 122.90 1z3k n TYR 5 Ca -0.10 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.12 1z3k n TYR 5 Cb 0.59 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.30 1z3k n TYR 5 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1z3k n GLY 6 N 0.00 1.02 3.08 2.98 0.00 -1.26 -5.08 105.19 105.94 1z3k n GLY 6 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.94 -0.93 0.12 1.61 0.02 -1.26 -4.74 114.94 108.82 1z3k s ASN 7 Ca 0.00 0.53 -0.00 0.00 -1.02 0.00 0.00 52.86 52.37 1z3k s ASN 7 Cb 0.00 1.83 0.00 0.00 0.02 0.00 0.00 41.25 43.10 1z3k s ASN 7 CO 0.00 -0.28 0.16 0.52 0.02 0.00 0.00 177.10 177.52 1z3k n VAL 8 N 5.41 0.00 -1.93 1.60 0.31 -1.26 -5.05 118.33 117.41 1z3k n VAL 8 Ca -0.01 -0.65 0.14 0.00 -0.01 0.00 0.00 64.34 63.81 1z3k n VAL 8 Cb 0.51 0.39 -0.03 0.00 -0.91 0.00 0.00 33.84 33.79 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 -0.20 0.00 0.00 2.52 -1.04 -1.26 -4.70 114.28 109.60 1z3k n THR 9 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 1z3k n THR 9 Cb 0.20 -0.34 0.00 0.00 -1.82 0.00 0.00 70.33 68.37 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 -3.38 0.00 -0.09 -2.82 0.00 -1.26 -3.25 116.66 105.86 1z3k n ARG 10 Ca 0.01 0.00 -0.17 0.00 -0.00 0.00 0.00 57.85 57.69 1z3k n ARG 10 Cb 0.46 0.00 -0.13 0.00 0.00 0.00 0.00 32.46 32.79 1z3k n ARG 10 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.63 179.21 1z3k n HIS 11 N 0.00 0.36 0.03 -0.14 -0.00 -1.26 -4.29 115.22 109.92 1z3k n HIS 11 Ca 0.00 0.09 -0.19 0.00 0.46 0.00 0.00 57.72 58.07 1z3k n HIS 11 Cb 0.00 -1.05 -0.13 0.00 -0.12 0.00 0.00 29.99 28.69 1z3k n HIS 11 CO 0.00 0.00 0.00 1.96 0.46 0.00 0.00 176.34 178.76 1z3k h GLN 12 N 0.02 0.38 -1.20 1.57 1.08 -1.87 -2.47 115.11 112.62 1z3k h GLN 12 Ca -0.52 -0.52 0.34 0.00 -1.45 0.00 0.00 58.65 56.51 1z3k h GLN 12 Cb 2.00 0.17 -0.08 0.00 -0.05 0.00 0.00 27.48 29.51 1z3k h GLN 12 CO -0.02 1.20 0.81 0.00 -0.95 0.00 0.00 178.83 179.87 1z3k h ALA 13 N 0.21 2.73 0.00 3.87 0.00 -1.78 1.57 119.26 125.86 1z3k h ALA 13 Ca -0.12 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 1z3k h ALA 13 Cb 1.53 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.39 1z3k h ALA 13 CO 0.15 -1.17 -0.65 0.93 0.00 0.00 0.00 179.25 178.51 1z3k h GLU 14 N 0.18 0.00 0.00 0.00 4.39 -1.74 -2.92 114.58 114.48 1z3k h GLU 14 Ca 0.65 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.35 1z3k h GLU 14 Cb 2.10 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.75 1z3k h GLU 14 CO -0.20 0.81 0.00 0.00 -1.16 0.00 0.00 179.01 178.46 1z3k n ALA 16 N -1.40 1.51 -0.49 0.00 0.00 0.52 -4.56 120.51 116.09 1z3k n ALA 16 Ca 0.01 -1.15 0.03 0.00 0.00 0.00 0.00 53.44 52.33 1z3k n ALA 16 Cb 0.04 -0.11 0.04 0.00 0.00 0.00 0.00 19.45 19.42 1z3k n ALA 16 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1z3k n LEU 17 N -2.93 1.79 -0.62 0.00 -0.00 -0.90 -4.77 117.00 109.58 1z3k n LEU 17 Ca -0.36 -2.04 0.49 0.00 -0.00 0.00 0.00 56.01 54.09 1z3k n LEU 17 Cb 1.04 -0.12 0.77 0.00 -0.00 0.00 0.00 43.42 45.12 1z3k n LEU 17 CO 0.33 0.49 1.45 -1.13 -0.00 0.00 0.00 177.39 178.54 1z3k h ASN 18 N 0.00 0.00 0.45 1.45 -0.73 0.53 0.86 115.58 118.14 1z3k h ASN 18 Ca 0.00 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.16 1z3k h ASN 18 Cb 0.73 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 39.30 1z3k h ASN 18 CO 0.00 0.00 -0.50 -0.08 -0.37 0.00 0.00 177.43 176.48 1z3k h GLU 19 N 0.00 -0.93 0.00 6.67 4.81 -1.86 -3.49 114.58 119.78 1z3k h GLU 19 Ca 0.86 0.06 0.00 0.00 -0.13 0.00 0.00 59.36 60.15 1z3k h GLU 19 Cb 3.57 0.21 0.00 0.00 0.63 0.00 0.00 28.75 33.17 1z3k h GLU 19 CO -0.01 -0.62 0.00 0.54 -0.73 0.00 0.00 179.01 178.19 1z3k n ARG 20 N -5.48 0.00 -1.63 1.92 5.12 0.29 -5.08 116.66 111.81 1z3k n ARG 20 Ca -0.11 0.00 -0.00 0.00 -1.93 0.00 0.00 57.85 55.80 1z3k n ARG 20 Cb 0.45 0.00 -0.00 0.00 -1.16 0.00 0.00 32.46 31.75 1z3k n ARG 20 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1z3k n GLY 21 N 0.00 -3.04 3.06 -0.13 0.00 -1.26 -4.94 105.19 98.89 1z3k n GLY 21 Ca 0.00 -0.16 -0.12 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.16 -0.39 0.00 1.61 -7.23 -1.26 -4.85 120.40 108.12 1z3k s VAL 22 Ca -0.01 0.24 0.00 0.00 -1.81 0.00 0.00 61.98 60.40 1z3k s VAL 22 Cb 0.00 -0.48 0.00 0.00 0.56 0.00 0.00 36.38 36.46 1z3k s VAL 22 CO 0.09 0.10 0.00 -0.62 -0.31 0.00 0.00 175.10 174.36 1z3k n GLU 23 N 5.18 0.00 -3.87 4.82 1.02 -1.26 -4.26 120.64 122.28 1z3k n GLU 23 Ca -0.09 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.75 1z3k n GLU 23 Cb 0.50 0.00 -0.16 0.00 -0.02 0.00 0.00 31.44 31.77 1z3k n GLU 23 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1z3k s GLY 24 N 0.00 1.18 -0.14 0.62 0.00 -1.26 -4.72 107.32 103.01 1z3k s GLY 24 Ca 0.00 -1.38 -0.00 0.00 0.00 0.00 0.00 44.72 43.34 1z3k s GLY 24 CO 0.00 1.16 -0.07 -0.35 0.00 0.00 0.00 173.10 173.84 1z3k s ASP 25 N 1.49 2.54 -0.05 1.64 -1.08 -1.26 -4.80 116.67 115.16 1z3k s ASP 25 Ca -0.01 -0.49 0.02 0.00 -0.52 0.00 0.00 52.55 51.55 1z3k s ASP 25 Cb -0.18 -0.91 0.01 0.00 -1.46 0.00 0.00 42.92 40.38 1z3k s ASP 25 CO -0.10 -0.15 -0.09 0.12 0.52 0.00 0.00 175.17 175.47 1z3k s PHE 26 N 1.65 1.09 -0.02 -5.34 2.19 -1.18 -3.55 117.98 112.82 1z3k s PHE 26 Ca 0.03 -0.34 -0.00 0.00 0.33 0.00 0.00 56.93 56.94 1z3k s PHE 26 Cb -0.14 -0.83 0.03 0.00 -1.31 0.00 0.00 43.02 40.77 1z3k s PHE 26 CO -0.08 -0.19 0.04 -0.48 1.83 0.00 0.00 175.22 176.34 1z3k s LEU 27 N 0.57 1.17 -0.05 6.12 2.34 -1.09 -1.72 118.68 126.03 1z3k s LEU 27 Ca -0.10 0.07 -0.02 0.00 0.06 0.00 0.00 54.13 54.15 1z3k s LEU 27 Cb -0.13 0.01 -0.04 0.00 -0.56 0.00 0.00 46.19 45.47 1z3k s LEU 27 CO 0.02 -0.11 0.05 -0.63 -1.06 0.00 0.00 176.35 174.61 1z3k s ILE 28 N 0.91 4.61 0.16 1.48 1.01 -1.25 -2.00 121.20 126.12 1z3k s ILE 28 Ca -0.07 -0.27 0.07 0.00 0.00 0.00 0.00 60.65 60.37 1z3k s ILE 28 Cb -0.11 -3.02 -0.04 0.00 0.01 0.00 0.00 42.46 39.30 1z3k s ILE 28 CO -0.03 0.50 -0.15 0.00 0.00 0.00 0.00 174.94 175.26 1z3k s ARG 29 N -1.26 1.18 -0.23 2.79 1.70 0.50 -4.80 118.95 118.83 1z3k s ARG 29 Ca 0.17 -1.40 -0.16 0.00 -0.47 0.00 0.00 55.73 53.88 1z3k s ARG 29 Cb -0.12 -1.05 -0.04 0.00 -0.57 0.00 0.00 34.95 33.18 1z3k s ARG 29 CO 0.07 0.19 0.39 0.34 -1.08 0.00 0.00 175.30 175.22 1z3k s ASP 30 N -2.82 6.37 -0.80 -2.89 2.15 -1.26 -1.64 116.67 115.78 1z3k s ASP 30 Ca 0.15 0.43 -0.19 0.00 0.43 0.00 0.00 52.55 53.38 1z3k s ASP 30 Cb -0.03 -2.23 0.13 0.00 -0.30 0.00 0.00 42.92 40.49 1z3k s ASP 30 CO 0.05 -0.12 0.96 -0.55 -0.17 0.00 0.00 175.17 175.33 1z3k s SER 31 N 1.27 6.48 0.54 -0.34 0.15 -0.83 -4.88 113.70 116.09 1z3k s SER 31 Ca 0.18 -1.83 0.34 0.00 0.70 0.00 0.00 55.95 55.33 1z3k s SER 31 Cb -0.15 -2.35 1.51 0.00 -1.71 0.00 0.00 66.02 63.31 1z3k s SER 31 CO 0.08 -1.07 1.84 -0.08 1.20 0.00 0.00 173.24 175.22 1z3k h GLU 32 N 8.88 0.01 -0.20 5.44 4.57 -1.96 0.50 114.58 131.82 1z3k h GLU 32 Ca -0.02 -0.00 0.06 0.00 -1.18 0.00 0.00 59.36 58.22 1z3k h GLU 32 Cb 1.05 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.63 1z3k h GLU 32 CO 1.07 0.01 0.15 0.66 -1.18 0.00 0.00 179.01 179.71 1z3k h SER 33 N 0.01 0.00 -3.31 1.04 4.64 -1.95 -3.39 113.55 110.59 1z3k h SER 33 Ca 0.50 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 61.44 1z3k h SER 33 Cb 1.99 0.00 -0.39 0.00 -0.31 0.00 0.00 62.40 63.69 1z3k h SER 33 CO -0.01 0.00 -0.74 -0.44 -0.87 0.00 0.00 176.83 174.76 1z3k s SER 34 N -6.68 1.18 0.50 4.97 0.01 0.17 -5.02 113.70 108.83 1z3k s SER 34 Ca -0.05 0.05 0.33 0.00 1.31 0.00 0.00 55.95 57.60 1z3k s SER 34 Cb 0.18 -0.18 1.76 0.00 0.21 0.00 0.00 66.02 67.98 1z3k s SER 34 CO 0.68 -0.24 2.02 1.55 0.41 0.00 0.00 173.24 177.67 1z3k h PRO 35 N 8.39 0.00 -0.78 12.44 0.13 -1.77 -2.31 132.00 148.10 1z3k h PRO 35 Ca -0.14 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.44 1z3k h PRO 35 Cb 1.12 0.00 -0.43 0.00 0.13 0.00 0.00 31.00 31.82 1z3k h PRO 35 CO 0.18 0.00 -0.78 0.43 -0.23 0.00 0.00 178.00 177.59 1z3k n SER 36 N -2.71 4.98 -3.90 1.44 7.64 -1.26 -5.01 113.62 114.80 1z3k n SER 36 Ca -0.02 -3.75 -0.17 0.00 1.01 0.00 0.00 58.87 55.94 1z3k n SER 36 Cb 0.09 -0.36 -0.15 0.00 -1.01 0.00 0.00 64.21 62.78 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 -3.56 0.61 0.00 6.43 2.15 -0.87 -1.49 116.67 119.94 1z3k s ASP 37 Ca 0.51 -0.08 -0.05 0.00 0.43 0.00 0.00 52.55 53.36 1z3k s ASP 37 Cb 0.41 -0.20 -0.00 0.00 -0.30 0.00 0.00 42.92 42.83 1z3k s ASP 37 CO 0.03 -0.01 0.10 -0.36 -0.17 0.00 0.00 175.17 174.76 1z3k s PHE 38 N 0.42 0.08 0.01 -5.34 0.40 0.34 -1.97 117.98 111.93 1z3k s PHE 38 Ca -0.05 -0.19 0.04 0.00 -0.60 0.00 0.00 56.93 56.14 1z3k s PHE 38 Cb -0.08 -0.07 -0.02 0.00 0.51 0.00 0.00 43.02 43.36 1z3k s PHE 38 CO -0.00 -0.25 -0.14 0.45 0.70 0.00 0.00 175.22 175.98 1z3k s SER 39 N -1.28 1.60 -0.09 1.36 0.15 -0.65 0.84 113.70 115.63 1z3k s SER 39 Ca -0.14 -0.34 -0.06 0.00 0.70 0.00 0.00 55.95 56.12 1z3k s SER 39 Cb -0.08 -0.14 0.03 0.00 -1.71 0.00 0.00 66.02 64.13 1z3k s SER 39 CO 0.01 0.10 0.22 0.54 1.20 0.00 0.00 173.24 175.32 1z3k s VAL 40 N -0.55 -0.02 -0.04 4.45 0.11 -0.68 0.19 120.40 123.86 1z3k s VAL 40 Ca 0.03 0.08 0.07 0.00 -2.93 0.00 0.00 61.98 59.24 1z3k s VAL 40 Cb -0.06 -0.34 -0.02 0.00 -1.53 0.00 0.00 36.38 34.43 1z3k s VAL 40 CO 0.00 0.03 -0.25 -0.55 -3.33 0.00 0.00 175.10 171.00 1z3k s SER 41 N 0.73 3.02 0.12 3.54 0.15 -0.85 -2.68 113.70 117.74 1z3k s SER 41 Ca -0.05 -0.48 0.04 0.00 0.70 0.00 0.00 55.95 56.15 1z3k s SER 41 Cb -0.06 -0.55 -0.04 0.00 -1.71 0.00 0.00 66.02 63.66 1z3k s SER 41 CO -0.04 0.28 -0.09 -0.22 1.20 0.00 0.00 173.24 174.37 1z3k s LEU 42 N -0.42 2.49 0.24 3.45 2.96 -1.07 -2.67 118.68 123.67 1z3k s LEU 42 Ca 0.04 -0.96 0.10 0.00 -0.22 0.00 0.00 54.13 53.10 1z3k s LEU 42 Cb -0.11 -0.27 -0.04 0.00 0.50 0.00 0.00 46.19 46.26 1z3k s LEU 42 CO 0.01 -0.34 -0.09 -0.54 -1.32 0.00 0.00 176.35 174.07 1z3k s LYS 43 N -3.51 2.04 0.21 1.98 1.02 -1.23 -0.31 119.74 119.94 1z3k s LYS 43 Ca 0.12 -1.47 0.02 0.00 0.02 0.00 0.00 55.97 54.67 1z3k s LYS 43 Cb 0.02 -2.05 -0.01 0.00 -0.52 0.00 0.00 37.83 35.27 1z3k s LYS 43 CO -0.01 0.38 0.07 0.00 -0.92 0.00 0.00 175.35 174.87 1z3k n ALA 44 N -0.52 0.28 -1.96 5.17 0.00 0.55 -4.68 120.51 119.35 1z3k n ALA 44 Ca -0.08 -1.04 -0.25 0.00 0.00 0.00 0.00 53.44 52.08 1z3k n ALA 44 Cb 0.58 0.69 -0.07 0.00 0.00 0.00 0.00 19.45 20.65 1z3k n ALA 44 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1z3k s SER 45 N -2.25 4.66 0.00 0.00 0.01 -1.26 -3.61 113.70 111.25 1z3k s SER 45 Ca 0.09 -1.48 0.00 0.00 1.31 0.00 0.00 55.95 55.87 1z3k s SER 45 Cb 0.00 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.64 1z3k s SER 45 CO 0.07 -3.46 0.00 0.61 0.41 0.00 0.00 173.24 170.86 1z3k n GLY 46 N 5.91 3.13 3.78 3.44 0.00 -1.26 -5.05 105.19 115.14 1z3k n GLY 46 Ca 0.44 -0.86 -0.22 0.00 0.00 0.00 0.00 46.02 45.37 1z3k n GLY 46 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1z3k s LYS 47 N 0.00 2.45 0.05 1.61 0.00 -1.24 -4.68 119.74 117.93 1z3k s LYS 47 Ca 0.00 -1.53 0.04 0.00 0.00 0.00 0.00 55.97 54.48 1z3k s LYS 47 Cb 0.00 -2.25 -0.04 0.00 0.00 0.00 0.00 37.83 35.55 1z3k s LYS 47 CO 0.00 0.04 -0.02 0.54 0.00 0.00 0.00 175.35 175.90 1z3k s ASN 48 N -3.93 4.91 -0.23 0.03 4.22 -1.26 0.21 114.94 118.88 1z3k s ASN 48 Ca 0.40 -0.14 -0.07 0.00 -2.14 0.00 0.00 52.86 50.92 1z3k s ASN 48 Cb -0.03 -1.18 -0.03 0.00 1.28 0.00 0.00 41.25 41.30 1z3k s ASN 48 CO 0.24 0.23 0.05 -0.54 -2.04 0.00 0.00 177.10 175.04 1z3k s LYS 49 N -1.88 3.64 0.27 3.55 1.02 0.57 -4.87 119.74 122.04 1z3k s LYS 49 Ca 0.22 -0.49 -0.28 0.00 0.02 0.00 0.00 55.97 55.43 1z3k s LYS 49 Cb -0.11 -3.24 -0.09 0.00 -0.52 0.00 0.00 37.83 33.86 1z3k s LYS 49 CO 0.13 -0.13 0.94 -3.38 -0.92 0.00 0.00 175.35 171.99 1z3k s HIS 50 N 1.42 3.88 -0.14 3.18 -3.43 -1.26 -2.59 115.29 116.34 1z3k s HIS 50 Ca 0.05 1.86 -0.07 0.00 -0.80 0.00 0.00 55.06 56.11 1z3k s HIS 50 Cb -0.15 -2.96 0.06 0.00 -1.43 0.00 0.00 32.58 28.10 1z3k s HIS 50 CO 0.03 0.37 0.33 0.12 -2.00 0.00 0.00 174.74 173.58 1z3k s PHE 51 N -1.34 -0.48 -0.03 0.38 5.36 -1.09 -4.91 117.98 115.86 1z3k s PHE 51 Ca 0.44 1.06 0.02 0.00 -0.96 0.00 0.00 56.93 57.50 1z3k s PHE 51 Cb -0.23 0.15 0.01 0.00 -0.34 0.00 0.00 43.02 42.61 1z3k s PHE 51 CO 0.29 -0.30 -0.09 0.21 -1.46 0.00 0.00 175.22 173.87 1z3k s LYS 52 N 1.46 1.03 -0.32 10.12 2.20 -1.26 -1.68 119.74 131.30 1z3k s LYS 52 Ca -0.08 -0.29 -0.03 0.00 -0.36 0.00 0.00 55.97 55.21 1z3k s LYS 52 Cb -0.10 -0.95 0.05 0.00 -1.51 0.00 0.00 37.83 35.33 1z3k s LYS 52 CO -0.11 0.08 0.04 0.08 -0.36 0.00 0.00 175.35 175.08 1z3k s VAL 53 N 0.35 3.17 0.02 4.02 1.01 0.25 0.90 120.40 130.12 1z3k s VAL 53 Ca -0.06 -1.41 0.07 0.00 0.00 0.00 0.00 61.98 60.59 1z3k s VAL 53 Cb -0.10 -2.85 -0.02 0.00 0.00 0.00 0.00 36.38 33.40 1z3k s VAL 53 CO 0.01 -0.18 -0.21 -1.58 0.00 0.00 0.00 175.10 173.14 1z3k s GLN 54 N 1.27 1.49 -0.39 2.72 -0.44 -0.60 0.13 119.66 123.84 1z3k s GLN 54 Ca -0.03 -0.86 -0.26 0.00 -2.50 0.00 0.00 55.36 51.71 1z3k s GLN 54 Cb -0.20 -1.54 0.02 0.00 -1.64 0.00 0.00 33.01 29.64 1z3k s GLN 54 CO -0.01 0.41 0.93 -1.17 0.50 0.00 0.00 175.29 175.95 1z3k s LEU 55 N -0.90 3.99 -0.11 3.68 1.98 -0.55 0.63 118.68 127.39 1z3k s LEU 55 Ca 0.08 0.48 -0.01 0.00 -2.89 0.00 0.00 54.13 51.79 1z3k s LEU 55 Cb -0.08 -3.26 -0.02 0.00 0.66 0.00 0.00 46.19 43.49 1z3k s LEU 55 CO 0.01 -0.91 -0.09 0.54 -1.89 0.00 0.00 176.35 174.01 1z3k s VAL 56 N 3.57 3.50 -0.84 1.68 0.11 0.81 -4.77 120.40 124.45 1z3k s VAL 56 Ca 0.38 -0.52 -0.22 0.00 -2.93 0.00 0.00 61.98 58.69 1z3k s VAL 56 Cb -0.11 -2.47 0.03 0.00 -1.53 0.00 0.00 36.38 32.30 1z3k s VAL 56 CO 0.21 0.54 0.48 -0.67 -3.33 0.00 0.00 175.10 172.33 1z3k n ASP 57 N 3.03 -3.04 -1.48 3.54 -0.08 -1.26 0.24 116.55 117.49 1z3k n ASP 57 Ca -0.18 -0.92 -0.19 0.00 -1.51 0.00 0.00 54.79 51.99 1z3k n ASP 57 Cb 0.53 -1.15 -0.08 0.00 2.34 0.00 0.00 41.12 42.76 1z3k n ASP 57 CO 0.00 0.00 0.00 -0.46 0.12 0.00 0.00 177.20 176.86 1z3k n ASN 58 N -1.36 -5.32 -4.27 1.67 0.23 -1.26 -4.96 115.26 99.98 1z3k n ASN 58 Ca -0.11 0.47 -0.19 0.00 -0.53 0.00 0.00 54.58 54.22 1z3k n ASN 58 Cb 0.42 -4.51 -0.11 0.00 -2.08 0.00 0.00 39.78 33.50 1z3k n ASN 58 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1z3k s VAL 59 N -2.72 1.50 -0.36 3.53 1.01 0.66 -5.11 120.40 118.92 1z3k s VAL 59 Ca 0.00 -1.80 -0.09 0.00 0.00 0.00 0.00 61.98 60.09 1z3k s VAL 59 Cb 0.00 -1.65 0.03 0.00 0.00 0.00 0.00 36.38 34.76 1z3k s VAL 59 CO 0.00 -0.39 0.17 -0.31 0.00 0.00 0.00 175.10 174.57 1z3k s TYR 60 N -2.14 3.24 0.24 5.22 2.02 -0.97 0.28 117.35 125.24 1z3k s TYR 60 Ca 0.12 -1.13 -0.08 0.00 -0.37 0.00 0.00 57.07 55.61 1z3k s TYR 60 Cb -0.05 -2.38 -0.06 0.00 -0.40 0.00 0.00 41.96 39.07 1z3k s TYR 60 CO 0.04 -0.67 0.53 0.00 -1.57 0.00 0.00 175.55 173.88 1z3k s ILE 62 N -1.88 0.21 0.00 0.00 -1.09 0.00 -1.55 121.20 116.89 1z3k s ILE 62 Ca 0.46 -0.29 0.00 0.00 -2.23 0.00 0.00 60.65 58.59 1z3k s ILE 62 Cb -0.11 -0.75 0.00 0.00 -1.58 0.00 0.00 42.46 40.02 1z3k s ILE 62 CO 0.24 -0.19 0.00 0.61 -1.23 0.00 0.00 174.94 174.37 1z3k n GLY 63 N 5.17 1.99 1.36 6.18 0.00 0.26 -3.20 105.19 116.95 1z3k n GLY 63 Ca -0.08 -0.30 -0.10 0.00 0.00 0.00 0.00 46.02 45.54 1z3k n GLY 63 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1z3k n GLN 64 N 5.33 2.53 -3.84 1.61 1.13 -1.26 -4.67 117.38 118.22 1z3k n GLN 64 Ca 0.00 -3.66 -0.09 0.00 -1.94 0.00 0.00 57.00 51.31 1z3k n GLN 64 Cb 0.00 -1.96 -0.04 0.00 0.11 0.00 0.00 30.24 28.35 1z3k n GLN 64 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 1z3k s ARG 65 N -3.42 1.47 -0.08 -1.09 6.06 -1.19 -5.17 118.95 115.52 1z3k s ARG 65 Ca 0.46 -1.01 0.03 0.00 -2.50 0.00 0.00 55.73 52.71 1z3k s ARG 65 Cb 0.40 0.51 -0.02 0.00 0.06 0.00 0.00 34.95 35.90 1z3k s ARG 65 CO -0.01 -0.62 -0.17 1.03 -2.50 0.00 0.00 175.30 173.02 1z3k s ARG 66 N -3.92 2.82 0.10 5.12 3.00 -1.26 -0.82 118.95 123.99 1z3k s ARG 66 Ca 0.13 -0.76 0.01 0.00 0.00 0.00 0.00 55.73 55.12 1z3k s ARG 66 Cb -0.01 -2.39 -0.04 0.00 0.00 0.00 0.00 34.95 32.50 1z3k s ARG 66 CO 0.02 0.41 -0.05 -0.06 0.00 0.00 0.00 175.30 175.62 1z3k s PHE 67 N -0.18 0.87 -0.24 -0.53 0.08 -0.15 -4.93 117.98 112.90 1z3k s PHE 67 Ca -0.01 -0.96 -0.02 0.00 0.12 0.00 0.00 56.93 56.06 1z3k s PHE 67 Cb -0.13 -0.51 0.09 0.00 -0.57 0.00 0.00 43.02 41.90 1z3k s PHE 67 CO 0.03 -0.20 2.30 -2.39 -0.10 0.00 0.00 175.22 174.86 1z3k n HIS 68 N -0.04 1.06 -3.82 0.36 1.44 -1.26 -2.29 115.22 110.67 1z3k n HIS 68 Ca -0.12 -1.71 -0.11 0.00 -2.01 0.00 0.00 57.72 53.78 1z3k n HIS 68 Cb 0.61 -0.99 -0.08 0.00 0.12 0.00 0.00 29.99 29.65 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 -1.46 0.10 0.00 0.61 -1.32 -1.26 -4.97 115.64 107.35 1z3k s THR 69 Ca 0.33 -0.85 0.00 0.00 -1.21 0.00 0.00 61.69 59.95 1z3k s THR 69 Cb 0.22 -0.96 0.00 0.00 -1.51 0.00 0.00 72.50 70.25 1z3k s THR 69 CO -0.04 -0.47 0.00 0.80 -2.21 0.00 0.00 174.62 172.70 1z3k n MET 70 N 0.58 0.00 -0.42 7.08 1.56 -1.26 -4.41 117.12 120.25 1z3k n MET 70 Ca -0.18 0.00 0.07 0.00 -0.27 0.00 0.00 57.70 57.31 1z3k n MET 70 Cb 0.59 0.00 0.25 0.00 2.15 0.00 0.00 33.22 36.22 1z3k n MET 70 CO 0.00 0.00 0.00 -0.25 -0.73 0.00 0.00 175.97 174.99 1z3k n ASP 71 N 0.00 3.45 0.03 6.12 8.00 -1.26 -3.79 116.55 129.10 1z3k n ASP 71 Ca 0.00 -2.28 0.11 0.00 0.71 0.00 0.00 54.79 53.33 1z3k n ASP 71 Cb 0.00 -0.47 -0.09 0.00 -0.02 0.00 0.00 41.12 40.54 1z3k n ASP 71 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1z3k n GLU 72 N 0.77 0.55 0.00 -1.24 1.02 -1.26 -4.05 120.64 116.44 1z3k n GLU 72 Ca 0.18 -0.07 0.09 0.00 -0.02 0.00 0.00 57.16 57.35 1z3k n GLU 72 Cb 0.64 -1.61 0.47 0.00 -0.02 0.00 0.00 31.44 30.92 1z3k n GLU 72 CO 0.00 0.00 0.00 1.47 1.18 0.00 0.00 177.13 179.78 1z3k n LEU 73 N -2.28 0.00 -0.00 -4.62 -0.00 -1.25 -2.38 117.00 106.47 1z3k n LEU 73 Ca -0.02 0.34 0.14 0.00 -0.00 0.00 0.00 56.01 56.47 1z3k n LEU 73 Cb 0.53 -0.34 0.57 0.00 -0.00 0.00 0.00 43.42 44.18 1z3k n LEU 73 CO 0.43 -0.12 0.89 0.52 -0.00 0.00 0.00 177.39 179.11 1z3k n VAL 74 N -1.34 0.00 0.02 1.47 0.31 -1.26 0.41 118.33 117.94 1z3k n VAL 74 Ca 0.08 -0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.33 1z3k n VAL 74 Cb 0.17 -0.39 -0.13 0.00 -0.91 0.00 0.00 33.84 32.58 1z3k n VAL 74 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1z3k h GLU 75 N 0.00 0.01 0.00 5.55 4.81 -1.73 -3.42 114.58 119.80 1z3k h GLU 75 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1z3k h GLU 75 Cb 0.50 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.88 1z3k h GLU 75 CO 0.00 0.74 -0.08 1.58 -0.73 0.00 0.00 179.01 180.52 1z3k n HIS 76 N -3.19 0.00 -3.63 0.92 -0.00 -1.19 -5.07 115.22 103.06 1z3k n HIS 76 Ca -0.10 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.35 1z3k n HIS 76 Cb 1.00 0.15 0.01 0.00 -0.00 0.00 0.00 29.99 31.15 1z3k n HIS 76 CO 0.00 0.00 0.00 2.48 -0.00 0.00 0.00 176.34 178.82 1z3k n TYR 77 N 0.00 -2.34 0.00 1.57 4.11 1.35 -4.89 117.16 116.95 1z3k n TYR 77 Ca 0.00 0.96 0.00 0.00 -0.00 0.00 0.00 57.90 58.86 1z3k n TYR 77 Cb 0.53 -2.59 0.00 0.00 -0.00 0.00 0.00 39.34 37.28 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 -1.76 0.00 -3.13 -3.48 4.76 -1.24 -3.93 118.16 109.38 1z3k n LYS 78 Ca -0.22 0.65 -0.25 0.00 -2.87 0.00 0.00 58.31 55.62 1z3k n LYS 78 Cb 0.67 -1.39 -0.05 0.00 -1.84 0.00 0.00 35.03 32.43 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 -2.12 2.31 -4.06 1.97 4.76 -1.26 -5.08 118.16 114.68 1z3k n LYS 79 Ca 0.00 -4.32 -0.27 0.00 -2.87 0.00 0.00 58.31 50.85 1z3k n LYS 79 Cb 0.00 -2.01 -0.05 0.00 -1.84 0.00 0.00 35.03 31.12 1z3k n LYS 79 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1z3k s ALA 80 N -2.78 3.62 -1.59 7.82 0.00 -1.25 -4.86 121.76 122.71 1z3k s ALA 80 Ca 0.44 -1.16 0.00 0.00 0.00 0.00 0.00 51.96 51.24 1z3k s ALA 80 Cb 0.25 -1.43 0.00 0.00 0.00 0.00 0.00 23.12 21.95 1z3k s ALA 80 CO -0.09 0.55 0.42 -0.35 0.00 0.00 0.00 175.76 176.29 1z3k n PRO 81 N -0.23 0.53 -1.64 0.00 -0.04 -1.26 -4.77 135.00 127.59 1z3k n PRO 81 Ca -0.08 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.95 1z3k n PRO 81 Cb 0.54 -1.11 -0.03 0.00 -0.04 0.00 0.00 33.50 32.86 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 -1.59 3.03 0.05 0.52 1.01 -1.26 -4.94 121.20 118.02 1z3k s ILE 82 Ca 0.00 0.03 -0.05 0.00 0.00 0.00 0.00 60.65 60.63 1z3k s ILE 82 Cb 0.00 -3.03 -0.01 0.00 0.01 0.00 0.00 42.46 39.43 1z3k s ILE 82 CO 0.00 -0.01 0.09 0.12 0.00 0.00 0.00 174.94 175.13 1z3k s PHE 83 N 7.08 0.25 -0.11 3.97 5.36 -0.77 -4.96 117.98 128.80 1z3k s PHE 83 Ca 0.96 -0.61 0.01 0.00 -0.96 0.00 0.00 56.93 56.33 1z3k s PHE 83 Cb -0.36 -0.17 0.02 0.00 -0.34 0.00 0.00 43.02 42.17 1z3k s PHE 83 CO 0.37 -0.40 -0.14 0.99 -1.46 0.00 0.00 175.22 174.59 1z3k s THR 84 N -3.03 1.42 -0.23 0.12 2.01 -1.26 -1.04 115.64 113.64 1z3k s THR 84 Ca -0.01 -0.58 -0.10 0.00 0.31 0.00 0.00 61.69 61.31 1z3k s THR 84 Cb 0.01 -1.32 -0.05 0.00 0.01 0.00 0.00 72.50 71.15 1z3k s THR 84 CO -0.07 0.43 0.13 -0.55 -0.69 0.00 0.00 174.62 173.87 1z3k s SER 85 N 1.14 5.92 -0.86 3.53 0.15 -0.71 -4.48 113.70 118.38 1z3k s SER 85 Ca -0.04 0.07 -0.08 0.00 0.70 0.00 0.00 55.95 56.61 1z3k s SER 85 Cb -0.14 -2.06 0.07 0.00 -1.71 0.00 0.00 66.02 62.18 1z3k s SER 85 CO -0.04 0.08 0.26 1.21 1.20 0.00 0.00 173.24 175.95 1z3k n GLU 86 N 4.20 -2.50 -1.81 5.44 4.07 -1.26 0.79 120.64 129.57 1z3k n GLU 86 Ca -0.15 0.22 -0.12 0.00 -0.06 0.00 0.00 57.16 57.04 1z3k n GLU 86 Cb 0.52 -4.80 -0.03 0.00 -0.06 0.00 0.00 31.44 27.07 1z3k n GLU 86 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79 1z3k n HIS 87 N -3.31 -0.87 -0.06 4.31 8.25 -1.26 -4.76 115.22 117.52 1z3k n HIS 87 Ca 0.01 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.34 1z3k n HIS 87 Cb 0.51 -2.52 -0.04 0.00 1.12 0.00 0.00 29.99 29.06 1z3k n HIS 87 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1z3k n GLY 88 N -0.46 -0.31 3.88 -1.41 0.00 0.24 -5.00 105.19 102.12 1z3k n GLY 88 Ca -0.13 -0.14 -0.37 0.00 0.00 0.00 0.00 46.02 45.38 1z3k n GLY 88 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1z3k s GLU 89 N -2.42 3.50 -0.01 1.61 -1.05 -0.99 -4.96 118.70 114.37 1z3k s GLU 89 Ca -0.21 -0.07 0.06 0.00 -0.15 0.00 0.00 54.97 54.59 1z3k s GLU 89 Cb 0.06 -3.19 -0.01 0.00 -0.44 0.00 0.00 34.13 30.55 1z3k s GLU 89 CO 0.28 0.76 -0.18 0.15 0.95 0.00 0.00 175.26 177.22 1z3k s LYS 90 N -1.10 1.48 -0.44 -4.83 3.01 -1.26 -1.73 119.74 114.87 1z3k s LYS 90 Ca 0.17 -0.65 0.02 0.00 -1.01 0.00 0.00 55.97 54.50 1z3k s LYS 90 Cb -0.13 -1.42 0.14 0.00 -1.01 0.00 0.00 37.83 35.41 1z3k s LYS 90 CO 0.06 0.39 0.25 -1.17 0.51 0.00 0.00 175.35 175.39 1z3k s LEU 91 N -0.41 2.49 0.02 3.17 0.20 -0.20 -4.76 118.68 119.18 1z3k s LEU 91 Ca 0.07 -2.65 0.04 0.00 0.69 0.00 0.00 54.13 52.28 1z3k s LEU 91 Cb -0.07 -0.94 -0.02 0.00 -0.43 0.00 0.00 46.19 44.73 1z3k s LEU 91 CO -0.01 -0.26 -0.14 -0.47 -0.29 0.00 0.00 176.35 175.19 1z3k s TYR 92 N 0.35 1.20 -1.30 5.38 6.14 -1.26 -1.84 117.35 126.02 1z3k s TYR 92 Ca 0.19 -0.30 -0.06 0.00 0.64 0.00 0.00 57.07 57.54 1z3k s TYR 92 Cb -0.21 -0.74 0.08 0.00 0.42 0.00 0.00 41.96 41.50 1z3k s TYR 92 CO -0.02 0.01 2.52 1.28 0.64 0.00 0.00 175.55 179.98 1z3k n LEU 93 N 2.26 8.05 0.00 6.97 4.77 -1.26 -4.52 117.00 133.27 1z3k n LEU 93 Ca -0.16 -4.74 0.00 0.00 -0.03 0.00 0.00 56.01 51.08 1z3k n LEU 93 Cb 0.55 -1.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.25 1z3k n LEU 93 CO 0.24 2.04 0.00 1.33 -1.33 0.00 0.00 177.39 179.67 1z3k n VAL 94 N 1.98 0.00 -3.83 4.08 0.24 -1.26 -4.65 118.33 114.89 1z3k n VAL 94 Ca 0.64 0.01 -0.03 0.00 -2.04 0.00 0.00 64.34 62.92 1z3k n VAL 94 Cb 0.27 -0.75 0.01 0.00 -1.47 0.00 0.00 33.84 31.89 1z3k n VAL 94 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1z3k s ARG 95 N 0.00 1.31 0.04 7.34 3.00 -0.70 -4.87 118.95 125.08 1z3k s ARG 95 Ca 0.00 -0.80 -0.30 0.00 0.00 0.00 0.00 55.73 54.62 1z3k s ARG 95 Cb 0.00 0.39 -0.05 0.00 0.00 0.00 0.00 34.95 35.29 1z3k s ARG 95 CO 0.00 -0.61 1.12 0.00 0.00 0.00 0.00 175.30 175.82 1z3k s ALA 96 N -2.57 3.31 0.09 2.13 0.00 -1.11 -3.09 121.76 120.52 1z3k s ALA 96 Ca 0.18 0.75 0.00 0.00 0.00 0.00 0.00 51.96 52.89 1z3k s ALA 96 Cb -0.02 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.69 1z3k s ALA 96 CO 0.04 -0.36 0.00 1.28 0.00 0.00 0.00 175.76 176.72 1z3k n LEU 97 N 3.89 -4.51 0.00 0.00 4.77 -1.26 -4.43 117.00 115.45 1z3k n LEU 97 Ca 0.08 1.88 0.00 0.00 -0.03 0.00 0.00 56.01 57.94 1z3k n LEU 97 Cb 0.48 -2.30 0.00 0.00 -2.33 0.00 0.00 43.42 39.27 1z3k n LEU 97 CO 0.54 -1.23 0.00 1.67 -1.33 0.00 0.00 177.39 177.04