#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 -0.04 5.56 -0.58 -1.26 -3.99 120.64 120.32 1z3k n GLU 2 Ca 0.00 0.00 -0.06 0.00 -0.42 0.00 0.00 57.16 56.68 1z3k n GLU 2 Cb 0.00 0.00 -0.05 0.00 -0.57 0.00 0.00 31.44 30.82 1z3k n GLU 2 CO 0.00 0.00 0.00 0.11 -0.48 0.00 0.00 177.13 176.76 1z3k h TRP 3 N 0.00 -0.76 -4.31 -0.32 5.08 -1.99 -3.41 115.95 110.23 1z3k h TRP 3 Ca 0.00 0.03 -0.50 0.00 1.08 0.00 0.00 58.89 59.50 1z3k h TRP 3 Cb 0.00 0.35 0.07 0.00 -3.00 0.00 0.00 29.16 26.58 1z3k h TRP 3 CO 0.00 -0.23 0.39 1.52 -1.28 0.00 0.00 178.44 178.84 1z3k s TYR 4 N -4.20 3.33 0.00 0.12 1.13 -1.26 -4.83 117.35 111.64 1z3k s TYR 4 Ca -0.07 1.39 0.00 0.00 -1.41 0.00 0.00 57.07 56.98 1z3k s TYR 4 Cb 0.04 -2.83 0.00 0.00 -1.10 0.00 0.00 41.96 38.07 1z3k s TYR 4 CO 0.28 -0.92 0.00 0.98 -2.51 0.00 0.00 175.55 173.38 1z3k n TYR 5 N -2.68 0.00 0.00 -3.49 4.19 -1.26 -4.85 117.16 109.07 1z3k n TYR 5 Ca 0.07 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.28 1z3k n TYR 5 Cb 0.54 0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.37 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 -0.45 0.32 3.54 2.98 0.00 -1.26 -5.04 105.19 105.27 1z3k n GLY 6 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.56 -0.74 0.00 1.61 0.01 -1.26 -4.87 114.94 108.13 1z3k s ASN 7 Ca 0.00 1.31 0.00 0.00 -0.71 0.00 0.00 52.86 53.46 1z3k s ASN 7 Cb 0.00 1.26 0.00 0.00 0.41 0.00 0.00 41.25 42.92 1z3k s ASN 7 CO 0.00 -0.22 0.00 0.52 -1.51 0.00 0.00 177.10 175.89 1z3k n VAL 8 N 3.47 0.00 -0.58 1.60 0.31 -1.26 -4.73 118.33 117.14 1z3k n VAL 8 Ca -0.17 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.05 1z3k n VAL 8 Cb 0.57 -0.09 0.10 0.00 -0.91 0.00 0.00 33.84 33.51 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 0.00 0.00 0.00 2.52 -1.04 -1.26 0.13 114.28 114.63 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 -0.34 0.00 0.00 -1.82 0.00 0.00 70.33 68.17 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 -0.66 0.00 -0.13 -2.82 0.00 -1.26 -3.47 116.66 108.32 1z3k n ARG 10 Ca 0.05 0.00 -0.21 0.00 -0.00 0.00 0.00 57.85 57.69 1z3k n ARG 10 Cb 0.22 0.00 -0.11 0.00 0.00 0.00 0.00 32.46 32.57 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 0.00 0.04 -0.14 -0.00 -1.14 -4.26 115.22 109.72 1z3k n HIS 11 Ca 0.00 0.00 -0.20 0.00 0.46 0.00 0.00 57.72 57.98 1z3k n HIS 11 Cb 0.00 -0.96 -0.13 0.00 -0.12 0.00 0.00 29.99 28.78 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 -0.30 0.44 -0.29 1.57 4.20 0.11 -2.72 115.11 118.12 1z3k h GLN 12 Ca -0.60 -0.58 0.09 0.00 0.06 0.00 0.00 58.65 57.62 1z3k h GLN 12 Cb 1.78 0.19 -0.01 0.00 0.30 0.00 0.00 27.48 29.74 1z3k h GLN 12 CO -0.19 1.23 0.36 0.00 -0.67 0.00 0.00 178.83 179.56 1z3k h ALA 13 N 0.24 1.92 0.00 3.87 0.00 -1.78 1.03 119.26 124.54 1z3k h ALA 13 Ca -0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1z3k h ALA 13 Cb 1.59 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.40 1z3k h ALA 13 CO 0.16 -0.52 -0.17 0.93 0.00 0.00 0.00 179.25 179.66 1z3k h GLU 14 N 0.00 0.00 0.00 0.00 4.39 -1.73 0.95 114.58 118.18 1z3k h GLU 14 Ca 0.14 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.84 1z3k h GLU 14 Cb 0.87 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.52 1z3k h GLU 14 CO -0.00 0.00 0.10 0.00 -1.16 0.00 0.00 179.01 177.95 1z3k n ALA 16 N -1.64 1.82 -0.95 0.00 0.00 0.35 -4.70 120.51 115.39 1z3k n ALA 16 Ca -0.01 -0.44 0.09 0.00 0.00 0.00 0.00 53.44 53.07 1z3k n ALA 16 Cb 0.12 0.17 0.14 0.00 0.00 0.00 0.00 19.45 19.88 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 2.49 -0.34 0.00 4.77 0.33 -4.72 117.00 117.09 1z3k n LEU 17 Ca -0.13 -2.96 0.36 0.00 -0.03 0.00 0.00 56.01 53.25 1z3k n LEU 17 Cb 0.71 -0.40 0.72 0.00 -2.33 0.00 0.00 43.42 42.12 1z3k n LEU 17 CO 0.13 0.69 1.33 -1.13 -1.33 0.00 0.00 177.39 177.08 1z3k h ASN 18 N 0.22 0.00 0.87 -1.43 -0.73 0.33 1.56 115.58 116.41 1z3k h ASN 18 Ca 0.00 0.00 -0.16 0.00 1.87 0.00 0.00 56.30 58.01 1z3k h ASN 18 Cb 1.00 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 39.56 1z3k h ASN 18 CO 0.02 0.00 -1.21 -0.08 -0.37 0.00 0.00 177.43 175.79 1z3k h GLU 19 N 0.00 0.00 -3.86 6.67 4.57 -1.84 -3.49 114.58 116.63 1z3k h GLU 19 Ca 0.59 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.73 1z3k h GLU 19 Cb 2.57 0.00 0.03 0.00 -0.16 0.00 0.00 28.75 31.19 1z3k h GLU 19 CO -0.01 0.37 -0.13 -2.13 -1.18 0.00 0.00 179.01 175.93 1z3k n ARG 20 N -2.98 -0.61 0.00 1.92 3.00 0.53 -4.98 116.66 113.54 1z3k n ARG 20 Ca -0.07 0.63 0.00 0.00 -0.00 0.00 0.00 57.85 58.41 1z3k n ARG 20 Cb 0.83 -3.03 0.00 0.00 0.00 0.00 0.00 32.46 30.26 1z3k n ARG 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1z3k n GLY 21 N -1.33 -0.35 3.78 5.14 0.00 -1.26 -4.95 105.19 106.22 1z3k n GLY 21 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 1z3k n GLY 21 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1z3k s VAL 22 N 0.00 3.42 0.00 1.61 1.01 -1.26 -4.98 120.40 120.20 1z3k s VAL 22 Ca 0.00 -1.55 0.00 0.00 0.00 0.00 0.00 61.98 60.43 1z3k s VAL 22 Cb 0.00 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.28 1z3k s VAL 22 CO 0.00 -0.21 0.47 1.21 0.00 0.00 0.00 175.10 176.57 1z3k n GLU 23 N -1.22 0.00 -2.85 2.72 4.07 -1.26 -4.23 120.64 117.86 1z3k n GLU 23 Ca -0.03 0.47 -0.12 0.00 -0.06 0.00 0.00 57.16 57.42 1z3k n GLU 23 Cb 0.60 -0.90 0.03 0.00 -0.06 0.00 0.00 31.44 31.11 1z3k n GLU 23 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1z3k n GLY 24 N -0.93 2.11 3.55 8.31 0.00 -1.26 -4.74 105.19 112.23 1z3k n GLY 24 Ca 0.00 -1.14 -0.43 0.00 0.00 0.00 0.00 46.02 44.45 1z3k n GLY 24 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1z3k s ASP 25 N -2.45 6.44 -0.06 1.61 1.01 -1.26 -4.64 116.67 117.32 1z3k s ASP 25 Ca 0.30 -0.06 0.02 0.00 0.71 0.00 0.00 52.55 53.52 1z3k s ASP 25 Cb 0.40 -2.46 0.02 0.00 1.01 0.00 0.00 42.92 41.89 1z3k s ASP 25 CO -0.03 -1.17 -0.09 -0.36 0.21 0.00 0.00 175.17 173.73 1z3k s PHE 26 N 3.97 1.19 -0.13 4.23 0.08 -1.26 -3.69 117.98 122.37 1z3k s PHE 26 Ca 0.35 -0.42 -0.12 0.00 0.12 0.00 0.00 56.93 56.86 1z3k s PHE 26 Cb -0.11 -0.92 0.03 0.00 -0.57 0.00 0.00 43.02 41.45 1z3k s PHE 26 CO 0.24 -0.25 0.35 -0.48 -0.10 0.00 0.00 175.22 174.98 1z3k s LEU 27 N 0.80 0.63 -0.21 -0.37 2.34 -1.09 -0.87 118.68 119.91 1z3k s LEU 27 Ca -0.13 0.72 -0.03 0.00 0.06 0.00 0.00 54.13 54.74 1z3k s LEU 27 Cb -0.15 1.21 -0.01 0.00 -0.56 0.00 0.00 46.19 46.68 1z3k s LEU 27 CO 0.02 -0.12 -0.05 -0.63 -1.06 0.00 0.00 176.35 174.51 1z3k s ILE 28 N 0.21 3.39 0.22 1.48 -1.09 -1.26 -1.82 121.20 122.33 1z3k s ILE 28 Ca -0.00 -0.50 0.09 0.00 -2.23 0.00 0.00 60.65 58.01 1z3k s ILE 28 Cb -0.03 -2.53 -0.04 0.00 -1.58 0.00 0.00 42.46 38.28 1z3k s ILE 28 CO 0.00 0.44 -0.06 0.00 -1.23 0.00 0.00 174.94 174.09 1z3k s ARG 29 N 1.28 2.14 0.50 2.79 1.70 0.16 -4.56 118.95 122.96 1z3k s ARG 29 Ca 0.03 -1.35 -0.03 0.00 -0.47 0.00 0.00 55.73 53.91 1z3k s ARG 29 Cb -0.14 -2.14 -0.01 0.00 -0.57 0.00 0.00 34.95 32.08 1z3k s ARG 29 CO -0.02 0.40 0.77 0.34 -1.08 0.00 0.00 175.30 175.72 1z3k s ASP 30 N -3.21 5.93 -0.39 -2.89 2.15 -1.26 -1.80 116.67 115.19 1z3k s ASP 30 Ca 0.28 0.65 0.02 0.00 0.43 0.00 0.00 52.55 53.92 1z3k s ASP 30 Cb -0.08 -1.86 0.12 0.00 -0.30 0.00 0.00 42.92 40.80 1z3k s ASP 30 CO 0.17 -0.75 0.16 -0.44 -0.17 0.00 0.00 175.17 174.14 1z3k s SER 31 N -4.20 4.11 0.57 -0.34 0.01 -0.99 -4.83 113.70 108.03 1z3k s SER 31 Ca 0.49 -2.28 0.31 0.00 1.31 0.00 0.00 55.95 55.78 1z3k s SER 31 Cb -0.10 -1.20 1.45 0.00 0.21 0.00 0.00 66.02 66.37 1z3k s SER 31 CO 0.42 -0.33 1.82 -0.33 0.41 0.00 0.00 173.24 175.23 1z3k h GLU 32 N 7.30 0.00 -0.95 12.44 5.08 -1.98 0.53 114.58 137.00 1z3k h GLU 32 Ca -0.06 0.00 0.19 0.00 -1.00 0.00 0.00 59.36 58.49 1z3k h GLU 32 Cb 0.97 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.14 1z3k h GLU 32 CO 0.52 0.00 0.61 1.03 -1.00 0.00 0.00 179.01 180.16 1z3k h SER 33 N 0.00 0.59 -4.50 1.42 0.87 -1.95 -3.42 113.55 106.56 1z3k h SER 33 Ca 0.38 0.06 -0.09 0.00 -1.23 0.00 0.00 61.79 60.91 1z3k h SER 33 Cb 1.74 -0.05 -0.21 0.00 -0.44 0.00 0.00 62.40 63.44 1z3k h SER 33 CO -0.00 0.24 -0.09 -0.44 -0.53 0.00 0.00 176.83 176.00 1z3k s SER 34 N -5.57 -0.46 0.55 6.23 0.01 0.18 -5.04 113.70 109.60 1z3k s SER 34 Ca -0.10 0.68 0.34 0.00 1.31 0.00 0.00 55.95 58.18 1z3k s SER 34 Cb 0.23 0.71 1.41 0.00 0.21 0.00 0.00 66.02 68.58 1z3k s SER 34 CO 0.79 -0.36 2.00 1.55 0.41 0.00 0.00 173.24 177.63 1z3k h PRO 35 N 4.34 0.00 -1.35 12.44 0.13 -1.83 -3.09 132.00 142.63 1z3k h PRO 35 Ca -0.28 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.18 1z3k h PRO 35 Cb 1.17 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 31.97 1z3k h PRO 35 CO 0.30 0.02 0.41 0.43 -0.23 0.00 0.00 178.00 178.92 1z3k n SER 36 N -3.12 6.74 -3.72 1.44 7.64 -1.26 -4.93 113.62 116.40 1z3k n SER 36 Ca 0.00 -3.79 -0.16 0.00 1.01 0.00 0.00 58.87 55.93 1z3k n SER 36 Cb 0.30 -0.82 -0.16 0.00 -1.01 0.00 0.00 64.21 62.52 1z3k n SER 36 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1z3k s ASP 37 N -2.15 0.45 -0.05 6.43 1.11 -1.17 -2.86 116.67 118.43 1z3k s ASP 37 Ca 0.56 0.15 -0.03 0.00 0.18 0.00 0.00 52.55 53.41 1z3k s ASP 37 Cb 0.45 0.02 0.02 0.00 1.07 0.00 0.00 42.92 44.49 1z3k s ASP 37 CO -0.16 -0.19 0.13 -0.36 1.18 0.00 0.00 175.17 175.77 1z3k s PHE 38 N 1.61 -0.14 0.02 4.23 0.08 0.12 -2.35 117.98 121.56 1z3k s PHE 38 Ca -0.03 0.37 0.05 0.00 0.12 0.00 0.00 56.93 57.44 1z3k s PHE 38 Cb -0.12 -0.01 -0.02 0.00 -0.57 0.00 0.00 43.02 42.30 1z3k s PHE 38 CO -0.04 -0.10 -0.15 -1.12 -0.10 0.00 0.00 175.22 173.71 1z3k s SER 39 N 0.52 1.72 0.01 1.36 0.01 -0.74 0.57 113.70 117.15 1z3k s SER 39 Ca -0.04 -0.39 0.00 0.00 1.31 0.00 0.00 55.95 56.83 1z3k s SER 39 Cb -0.05 -0.14 -0.01 0.00 0.21 0.00 0.00 66.02 66.02 1z3k s SER 39 CO -0.02 0.09 -0.02 0.54 0.41 0.00 0.00 173.24 174.24 1z3k s VAL 40 N -0.66 0.07 -0.18 3.43 0.11 -0.81 0.35 120.40 122.72 1z3k s VAL 40 Ca 0.03 -0.51 -0.06 0.00 -2.93 0.00 0.00 61.98 58.51 1z3k s VAL 40 Cb -0.07 -0.16 -0.04 0.00 -1.53 0.00 0.00 36.38 34.59 1z3k s VAL 40 CO 0.01 -0.27 0.03 -0.44 -3.33 0.00 0.00 175.10 171.10 1z3k s SER 41 N -0.81 5.38 -0.02 3.54 0.01 -0.76 -2.64 113.70 118.40 1z3k s SER 41 Ca -0.09 0.01 0.02 0.00 1.31 0.00 0.00 55.95 57.21 1z3k s SER 41 Cb -0.06 -1.91 0.00 0.00 0.21 0.00 0.00 66.02 64.27 1z3k s SER 41 CO -0.01 0.17 -0.07 -0.22 0.41 0.00 0.00 173.24 173.52 1z3k s LEU 42 N 0.40 1.76 0.11 2.44 2.96 -1.16 -2.68 118.68 122.51 1z3k s LEU 42 Ca 0.01 -0.15 0.10 0.00 -0.22 0.00 0.00 54.13 53.87 1z3k s LEU 42 Cb -0.13 -0.45 -0.04 0.00 0.50 0.00 0.00 46.19 46.07 1z3k s LEU 42 CO 0.01 0.04 -0.26 -0.54 -1.32 0.00 0.00 176.35 174.28 1z3k s LYS 43 N 0.24 1.46 0.31 1.98 -0.14 -1.24 -1.40 119.74 120.94 1z3k s LYS 43 Ca -0.03 -1.27 0.02 0.00 -1.36 0.00 0.00 55.97 53.32 1z3k s LYS 43 Cb -0.08 -1.86 -0.01 0.00 -1.68 0.00 0.00 37.83 34.21 1z3k s LYS 43 CO 0.00 0.45 0.06 0.00 -0.76 0.00 0.00 175.35 175.10 1z3k n ALA 44 N 1.14 0.35 -1.97 5.17 0.00 0.67 -4.72 120.51 121.16 1z3k n ALA 44 Ca -0.18 -1.50 -0.25 0.00 0.00 0.00 0.00 53.44 51.51 1z3k n ALA 44 Cb 0.53 0.92 -0.07 0.00 0.00 0.00 0.00 19.45 20.83 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 -2.83 4.68 0.00 0.00 0.15 -1.26 -3.58 113.70 110.86 1z3k s SER 45 Ca 0.08 -1.49 0.00 0.00 0.70 0.00 0.00 55.95 55.24 1z3k s SER 45 Cb 0.00 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 1z3k s SER 45 CO 0.06 -3.45 0.00 0.61 1.20 0.00 0.00 173.24 171.66 1z3k n GLY 46 N 5.91 3.02 3.78 9.45 0.00 -1.26 -5.02 105.19 121.07 1z3k n GLY 46 Ca 0.44 -0.85 -0.22 0.00 0.00 0.00 0.00 46.02 45.38 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 2.47 -0.03 1.61 0.00 -1.23 -4.97 119.74 117.59 1z3k s LYS 47 Ca 0.00 -1.50 0.02 0.00 0.00 0.00 0.00 55.97 54.49 1z3k s LYS 47 Cb 0.00 -2.26 0.01 0.00 0.00 0.00 0.00 37.83 35.58 1z3k s LYS 47 CO 0.00 0.05 -0.08 0.54 0.00 0.00 0.00 175.35 175.86 1z3k s ASN 48 N -3.92 1.16 0.04 0.03 4.22 -1.26 0.24 114.94 115.45 1z3k s ASN 48 Ca 0.40 -0.18 -0.00 0.00 -2.14 0.00 0.00 52.86 50.94 1z3k s ASN 48 Cb -0.03 -0.38 -0.04 0.00 1.28 0.00 0.00 41.25 42.08 1z3k s ASN 48 CO 0.24 0.04 0.18 -1.59 -2.04 0.00 0.00 177.10 173.93 1z3k s LYS 49 N 0.38 3.37 -0.07 3.55 0.00 -0.49 -4.93 119.74 121.55 1z3k s LYS 49 Ca -0.06 -0.43 -0.17 0.00 0.00 0.00 0.00 55.97 55.31 1z3k s LYS 49 Cb -0.10 -3.02 -0.05 0.00 0.00 0.00 0.00 37.83 34.66 1z3k s LYS 49 CO 0.01 0.62 0.45 -3.38 0.00 0.00 0.00 175.35 173.05 1z3k s HIS 50 N -1.44 3.60 -0.13 1.78 -3.43 -1.26 -2.98 115.29 111.44 1z3k s HIS 50 Ca 0.32 0.93 0.03 0.00 -0.80 0.00 0.00 55.06 55.54 1z3k s HIS 50 Cb -0.13 -2.45 0.01 0.00 -1.43 0.00 0.00 32.58 28.58 1z3k s HIS 50 CO 0.24 0.36 -0.23 -0.06 -2.00 0.00 0.00 174.74 173.05 1z3k s PHE 51 N -0.06 2.62 -0.11 0.38 0.40 -1.08 -4.91 117.98 115.22 1z3k s PHE 51 Ca 0.25 -1.24 0.01 0.00 -0.60 0.00 0.00 56.93 55.36 1z3k s PHE 51 Cb -0.16 -1.77 0.02 0.00 0.51 0.00 0.00 43.02 41.62 1z3k s PHE 51 CO 0.12 -0.54 -0.14 0.21 0.70 0.00 0.00 175.22 175.56 1z3k s LYS 52 N 0.65 2.16 -0.31 0.44 2.20 -1.26 -1.93 119.74 121.69 1z3k s LYS 52 Ca -0.11 -0.53 -0.03 0.00 -0.36 0.00 0.00 55.97 54.94 1z3k s LYS 52 Cb -0.16 -1.88 0.05 0.00 -1.51 0.00 0.00 37.83 34.33 1z3k s LYS 52 CO 0.02 -0.10 0.03 0.08 -0.36 0.00 0.00 175.35 175.02 1z3k s VAL 53 N 1.09 3.18 0.08 4.02 1.01 0.19 0.38 120.40 130.36 1z3k s VAL 53 Ca -0.05 -1.33 0.08 0.00 0.00 0.00 0.00 61.98 60.69 1z3k s VAL 53 Cb -0.14 -2.83 -0.03 0.00 0.00 0.00 0.00 36.38 33.38 1z3k s VAL 53 CO -0.03 -0.13 -0.22 -1.58 0.00 0.00 0.00 175.10 173.13 1z3k s GLN 54 N 1.29 1.34 -0.42 2.72 0.74 0.31 0.13 119.66 125.77 1z3k s GLN 54 Ca -0.04 -1.10 -0.15 0.00 0.05 0.00 0.00 55.36 54.12 1z3k s GLN 54 Cb -0.20 -1.57 0.03 0.00 1.10 0.00 0.00 33.01 32.37 1z3k s GLN 54 CO -0.00 0.38 0.31 -0.51 -0.55 0.00 0.00 175.29 174.92 1z3k s LEU 55 N -1.57 5.16 -0.03 3.68 1.43 -1.13 0.20 118.68 126.42 1z3k s LEU 55 Ca 0.08 -0.95 0.03 0.00 -1.03 0.00 0.00 54.13 52.26 1z3k s LEU 55 Cb -0.10 -2.16 -0.03 0.00 0.03 0.00 0.00 46.19 43.93 1z3k s LEU 55 CO 0.03 -0.47 -0.08 0.54 0.23 0.00 0.00 176.35 176.60 1z3k s VAL 56 N 1.68 3.55 -0.96 -1.59 0.11 0.38 -4.74 120.40 118.82 1z3k s VAL 56 Ca 0.05 -0.67 -0.14 0.00 -2.93 0.00 0.00 61.98 58.29 1z3k s VAL 56 Cb -0.20 -2.48 0.02 0.00 -1.53 0.00 0.00 36.38 32.19 1z3k s VAL 56 CO 0.10 0.50 0.27 -0.90 -3.33 0.00 0.00 175.10 171.73 1z3k n ASP 57 N 1.92 -1.32 -2.43 3.54 5.68 -1.26 0.21 116.55 122.90 1z3k n ASP 57 Ca -0.17 -0.92 -0.21 0.00 -0.50 0.00 0.00 54.79 53.00 1z3k n ASP 57 Cb 0.53 -1.11 -0.01 0.00 -1.14 0.00 0.00 41.12 39.39 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 -1.54 -5.92 -4.24 -1.12 5.15 -1.26 -4.98 115.26 101.35 1z3k n ASN 58 Ca -0.15 -0.05 -0.18 0.00 -0.60 0.00 0.00 54.58 53.61 1z3k n ASN 58 Cb 0.44 -4.91 -0.11 0.00 -0.53 0.00 0.00 39.78 34.67 1z3k n ASN 58 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1z3k s VAL 59 N -3.05 1.31 -0.44 3.44 1.01 0.58 -5.11 120.40 118.15 1z3k s VAL 59 Ca 0.03 -1.72 -0.18 0.00 0.00 0.00 0.00 61.98 60.11 1z3k s VAL 59 Cb -0.01 -1.53 0.03 0.00 0.00 0.00 0.00 36.38 34.86 1z3k s VAL 59 CO 0.04 -0.43 0.48 -0.31 0.00 0.00 0.00 175.10 174.88 1z3k s TYR 60 N -2.18 3.15 -0.12 5.22 2.02 -0.85 -0.47 117.35 124.11 1z3k s TYR 60 Ca 0.09 -0.39 -0.10 0.00 -0.37 0.00 0.00 57.07 56.29 1z3k s TYR 60 Cb -0.05 -3.04 -0.05 0.00 -0.40 0.00 0.00 41.96 38.42 1z3k s TYR 60 CO 0.03 -0.77 0.22 0.00 -1.57 0.00 0.00 175.55 173.46 1z3k s ILE 62 N -0.48 -0.00 0.00 0.00 1.01 -0.87 0.11 121.20 120.97 1z3k s ILE 62 Ca 0.16 0.02 0.00 0.00 0.00 0.00 0.00 60.65 60.82 1z3k s ILE 62 Cb -0.13 -0.07 0.00 0.00 0.01 0.00 0.00 42.46 42.27 1z3k s ILE 62 CO 0.05 0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.60 1z3k n GLY 63 N 3.15 0.27 0.00 6.18 0.00 0.16 -1.61 105.19 113.34 1z3k n GLY 63 Ca -0.13 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.56 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 0.00 -0.02 -4.28 1.61 6.02 -1.26 -4.68 117.38 114.77 1z3k n GLN 64 Ca 0.00 -0.12 -0.25 0.00 -0.01 0.00 0.00 57.00 56.62 1z3k n GLN 64 Cb 0.00 -0.53 -0.08 0.00 1.02 0.00 0.00 30.24 30.65 1z3k n GLN 64 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1z3k s ARG 65 N -0.01 2.13 -0.15 -1.09 6.06 -0.63 -5.13 118.95 120.13 1z3k s ARG 65 Ca 0.00 -1.82 -0.00 0.00 -2.50 0.00 0.00 55.73 51.41 1z3k s ARG 65 Cb 0.00 -1.92 -0.01 0.00 0.06 0.00 0.00 34.95 33.08 1z3k s ARG 65 CO 0.00 0.01 -0.14 1.03 -2.50 0.00 0.00 175.30 173.70 1z3k s ARG 66 N -3.79 3.28 0.08 5.12 1.81 -1.26 -2.04 118.95 122.14 1z3k s ARG 66 Ca 0.37 -0.72 0.00 0.00 -1.72 0.00 0.00 55.73 53.67 1z3k s ARG 66 Cb 0.03 -2.65 -0.04 0.00 -0.45 0.00 0.00 34.95 31.84 1z3k s ARG 66 CO 0.21 0.07 -0.04 -0.06 -0.68 0.00 0.00 175.30 174.79 1z3k s PHE 67 N 0.70 0.75 -0.26 -0.53 0.08 0.11 -5.01 117.98 113.82 1z3k s PHE 67 Ca -0.07 -1.00 -0.02 0.00 0.12 0.00 0.00 56.93 55.97 1z3k s PHE 67 Cb -0.15 -0.47 0.08 0.00 -0.57 0.00 0.00 43.02 41.91 1z3k s PHE 67 CO 0.02 -0.26 2.40 1.58 -0.10 0.00 0.00 175.22 178.86 1z3k n HIS 68 N 0.01 1.09 -3.70 0.36 -0.00 -1.26 -2.01 115.22 109.72 1z3k n HIS 68 Ca -0.12 -1.74 -0.12 0.00 -0.00 0.00 0.00 57.72 55.74 1z3k n HIS 68 Cb 0.61 -1.06 -0.06 0.00 -0.00 0.00 0.00 29.99 29.47 1z3k n HIS 68 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.34 176.26 1z3k s THR 69 N -1.47 0.07 0.00 3.57 -1.32 -1.26 -4.96 115.64 110.27 1z3k s THR 69 Ca 0.37 -0.60 0.00 0.00 -1.21 0.00 0.00 61.69 60.25 1z3k s THR 69 Cb 0.25 -1.02 0.00 0.00 -1.51 0.00 0.00 72.50 70.22 1z3k s THR 69 CO -0.06 -0.33 0.00 0.80 -2.21 0.00 0.00 174.62 172.83 1z3k n MET 70 N 0.34 0.00 0.00 7.08 0.00 -1.26 -4.59 117.12 118.69 1z3k n MET 70 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.52 1z3k n MET 70 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.83 1z3k n MET 70 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 1z3k n ASP 71 N 0.00 0.00 -0.01 6.12 2.03 -1.26 -4.55 116.55 118.88 1z3k n ASP 71 Ca 0.00 0.00 0.11 0.00 0.52 0.00 0.00 54.79 55.42 1z3k n ASP 71 Cb 0.00 0.00 -0.16 0.00 -0.72 0.00 0.00 41.12 40.24 1z3k n ASP 71 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1z3k n GLU 72 N 0.00 0.55 0.03 -0.67 4.07 -1.26 -4.16 120.64 119.20 1z3k n GLU 72 Ca 0.00 -0.16 0.11 0.00 -0.06 0.00 0.00 57.16 57.05 1z3k n GLU 72 Cb 0.00 -1.53 0.45 0.00 -0.06 0.00 0.00 31.44 30.31 1z3k n GLU 72 CO 0.00 0.00 0.00 1.47 -0.06 0.00 0.00 177.13 178.54 1z3k n LEU 73 N -2.15 0.16 -0.02 4.31 -0.00 -1.26 -2.39 117.00 115.65 1z3k n LEU 73 Ca -0.03 0.53 0.14 0.00 -0.00 0.00 0.00 56.01 56.65 1z3k n LEU 73 Cb 0.53 -0.49 0.54 0.00 -0.00 0.00 0.00 43.42 44.00 1z3k n LEU 73 CO 0.45 -0.19 0.83 0.52 -0.00 0.00 0.00 177.39 179.01 1z3k n VAL 74 N -1.66 0.00 0.09 1.47 0.31 -1.26 0.17 118.33 117.45 1z3k n VAL 74 Ca 0.05 -0.01 0.09 0.00 -0.01 0.00 0.00 64.34 64.46 1z3k n VAL 74 Cb 0.26 -0.25 -0.02 0.00 -0.91 0.00 0.00 33.84 32.92 1z3k n VAL 74 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 1z3k n GLU 75 N -1.39 0.61 -0.73 5.55 -0.00 -1.01 -4.38 120.64 119.28 1z3k n GLU 75 Ca 0.08 0.15 0.00 0.00 -0.00 0.00 0.00 57.16 57.39 1z3k n GLU 75 Cb 0.32 -1.82 -0.00 0.00 -0.00 0.00 0.00 31.44 29.93 1z3k n GLU 75 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1z3k n HIS 76 N -2.73 0.00 -3.96 -1.84 8.25 -1.19 -5.04 115.22 108.71 1z3k n HIS 76 Ca -0.02 -0.14 -0.38 0.00 -0.26 0.00 0.00 57.72 56.92 1z3k n HIS 76 Cb 0.62 0.05 0.01 0.00 1.12 0.00 0.00 29.99 31.79 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 0.10 -1.38 0.00 4.41 0.18 0.46 -4.95 117.16 115.97 1z3k n TYR 77 Ca -0.01 0.23 0.00 0.00 1.88 0.00 0.00 57.90 59.99 1z3k n TYR 77 Cb 0.74 -2.47 0.00 0.00 -0.38 0.00 0.00 39.34 37.23 1z3k n TYR 77 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41 1z3k n LYS 78 N -4.09 1.74 -1.20 -3.48 4.76 -0.68 -4.49 118.16 110.72 1z3k n LYS 78 Ca -0.15 0.00 -0.35 0.00 -2.87 0.00 0.00 58.31 54.93 1z3k n LYS 78 Cb 0.54 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.70 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 2.64 -4.07 1.97 4.76 -1.26 -4.87 118.16 117.32 1z3k n LYS 79 Ca 0.00 -2.00 -0.26 0.00 -2.87 0.00 0.00 58.31 53.18 1z3k n LYS 79 Cb 0.00 -2.82 -0.05 0.00 -1.84 0.00 0.00 35.03 30.32 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 3.28 3.61 -1.28 7.82 0.00 -1.26 -4.78 121.76 129.15 1z3k s ALA 80 Ca 0.54 -1.21 0.00 0.00 0.00 0.00 0.00 51.96 51.29 1z3k s ALA 80 Cb 0.14 -1.41 0.00 0.00 0.00 0.00 0.00 23.12 21.86 1z3k s ALA 80 CO -0.03 0.49 0.00 -0.35 0.00 0.00 0.00 175.76 175.87 1z3k n PRO 81 N -0.42 0.00 -1.77 0.00 -0.04 -1.26 -4.75 135.00 126.76 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 0.55 -0.96 -0.01 0.00 -0.04 0.00 0.00 33.50 33.04 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 -1.28 2.03 0.04 0.52 -1.09 -1.26 -5.00 121.20 115.15 1z3k s ILE 82 Ca 0.00 0.02 -0.06 0.00 -2.23 0.00 0.00 60.65 58.39 1z3k s ILE 82 Cb 0.00 -3.01 -0.01 0.00 -1.58 0.00 0.00 42.46 37.85 1z3k s ILE 82 CO 0.00 0.00 0.10 0.12 -1.23 0.00 0.00 174.94 173.93 1z3k s PHE 83 N -0.33 0.21 -0.16 3.97 5.36 -1.15 -5.01 117.98 120.87 1z3k s PHE 83 Ca 0.60 -0.53 -0.02 0.00 -0.96 0.00 0.00 56.93 56.03 1z3k s PHE 83 Cb -0.48 -0.15 0.05 0.00 -0.34 0.00 0.00 43.02 42.10 1z3k s PHE 83 CO 0.53 -0.38 -0.00 0.99 -1.46 0.00 0.00 175.22 174.90 1z3k s THR 84 N -2.75 0.72 -0.54 0.12 2.01 -1.26 -0.25 115.64 113.69 1z3k s THR 84 Ca -0.04 -0.47 -0.24 0.00 0.31 0.00 0.00 61.69 61.25 1z3k s THR 84 Cb -0.00 -1.04 0.04 0.00 0.01 0.00 0.00 72.50 71.50 1z3k s THR 84 CO -0.05 -0.01 0.92 -0.55 -0.69 0.00 0.00 174.62 174.24 1z3k s SER 85 N 1.79 6.34 -1.25 3.53 0.15 0.25 -4.45 113.70 120.06 1z3k s SER 85 Ca 0.01 -0.37 -0.31 0.00 0.70 0.00 0.00 55.95 55.97 1z3k s SER 85 Cb -0.16 -2.43 0.04 0.00 -1.71 0.00 0.00 66.02 61.77 1z3k s SER 85 CO -0.07 -1.19 0.62 1.21 1.20 0.00 0.00 173.24 175.00 1z3k n GLU 86 N 7.35 -0.33 -2.03 5.44 0.00 -1.26 0.98 120.64 130.78 1z3k n GLU 86 Ca 0.01 0.08 -0.06 0.00 0.00 0.00 0.00 57.16 57.19 1z3k n GLU 86 Cb 0.47 -2.64 -0.01 0.00 0.00 0.00 0.00 31.44 29.26 1z3k n GLU 86 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.13 178.71 1z3k n HIS 87 N -5.02 -1.37 0.00 4.31 -0.00 -1.26 -4.71 115.22 107.17 1z3k n HIS 87 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.59 1z3k n HIS 87 Cb 0.58 -1.84 0.00 0.00 -0.00 0.00 0.00 29.99 28.73 1z3k n HIS 87 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1z3k n GLY 88 N -0.47 0.26 3.69 1.57 0.00 0.27 -5.02 105.19 105.49 1z3k n GLY 88 Ca -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 1z3k n GLY 88 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1z3k s GLU 89 N 0.00 4.33 -0.10 1.61 2.02 -0.78 -4.81 118.70 120.98 1z3k s GLU 89 Ca 0.00 1.86 0.02 0.00 0.02 0.00 0.00 54.97 56.87 1z3k s GLU 89 Cb 0.00 -3.50 0.01 0.00 0.10 0.00 0.00 34.13 30.74 1z3k s GLU 89 CO 0.00 -0.47 -0.15 0.15 0.02 0.00 0.00 175.26 174.81 1z3k s LYS 90 N 2.01 2.10 -0.11 1.61 1.02 -1.26 0.86 119.74 125.97 1z3k s LYS 90 Ca 0.61 -0.53 0.02 0.00 0.02 0.00 0.00 55.97 56.09 1z3k s LYS 90 Cb -0.30 -1.76 -0.01 0.00 -0.52 0.00 0.00 37.83 35.24 1z3k s LYS 90 CO 0.26 -0.03 -0.18 -0.51 -0.92 0.00 0.00 175.35 173.98 1z3k s LEU 91 N 0.88 2.47 0.23 3.17 1.43 0.65 -4.66 118.68 122.85 1z3k s LEU 91 Ca -0.09 -0.41 -0.06 0.00 -1.03 0.00 0.00 54.13 52.54 1z3k s LEU 91 Cb -0.15 -1.53 -0.02 0.00 0.03 0.00 0.00 46.19 44.52 1z3k s LEU 91 CO 0.00 0.18 0.30 -0.31 0.23 0.00 0.00 176.35 176.75 1z3k s TYR 92 N 0.27 0.82 -0.79 0.29 2.02 -1.26 -2.91 117.35 115.78 1z3k s TYR 92 Ca -0.12 -1.10 0.02 0.00 -0.37 0.00 0.00 57.07 55.50 1z3k s TYR 92 Cb -0.16 -0.22 0.34 0.00 -0.40 0.00 0.00 41.96 41.52 1z3k s TYR 92 CO 0.06 -0.82 1.42 1.28 -1.57 0.00 0.00 175.55 175.92 1z3k n LEU 93 N -0.34 5.97 0.00 -1.29 4.77 -1.26 -4.66 117.00 120.19 1z3k n LEU 93 Ca 0.01 -5.47 0.00 0.00 -0.03 0.00 0.00 56.01 50.51 1z3k n LEU 93 Cb 0.64 -0.85 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 1z3k n LEU 93 CO 0.28 2.18 0.00 0.55 -1.33 0.00 0.00 177.39 179.07 1z3k n VAL 94 N -0.20 0.00 -3.83 4.08 3.14 -1.24 -4.41 118.33 115.86 1z3k n VAL 94 Ca 0.40 0.00 -0.06 0.00 -2.96 0.00 0.00 64.34 61.72 1z3k n VAL 94 Cb 0.34 0.00 0.01 0.00 -1.06 0.00 0.00 33.84 33.13 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 0.76 1.74 -0.87 1.45 3.00 -0.05 -4.37 118.95 120.60 1z3k s ARG 95 Ca 0.00 -1.09 -0.25 0.00 0.00 0.00 0.00 55.73 54.40 1z3k s ARG 95 Cb 0.00 0.51 0.00 0.00 0.00 0.00 0.00 34.95 35.46 1z3k s ARG 95 CO 0.00 -0.81 1.65 0.00 0.00 0.00 0.00 175.30 176.14 1z3k s ALA 96 N -2.55 2.28 -0.62 2.13 0.00 -1.26 -4.16 121.76 117.58 1z3k s ALA 96 Ca 0.17 -1.60 0.05 0.00 0.00 0.00 0.00 51.96 50.58 1z3k s ALA 96 Cb -0.04 -4.46 0.20 0.00 0.00 0.00 0.00 23.12 18.82 1z3k s ALA 96 CO 0.08 -4.00 0.54 1.28 0.00 0.00 0.00 175.76 173.65 1z3k n LEU 97 N 11.27 2.46 0.00 0.00 4.77 -1.26 -4.74 117.00 129.51 1z3k n LEU 97 Ca 0.28 -5.10 0.00 0.00 -0.03 0.00 0.00 56.01 51.16 1z3k n LEU 97 Cb 0.49 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1z3k n LEU 97 CO 0.66 1.87 0.00 0.00 -1.33 0.00 0.00 177.39 178.59