#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 2.89 -3.15 -0.14 -0.58 -1.26 -4.75 120.64 113.65 1z3k n GLU 2 Ca 0.00 -2.72 0.05 0.00 -0.42 0.00 0.00 57.16 54.07 1z3k n GLU 2 Cb 0.00 -2.10 -0.01 0.00 -0.57 0.00 0.00 31.44 28.77 1z3k n GLU 2 CO 0.00 0.00 0.00 1.67 -0.48 0.00 0.00 177.13 178.32 1z3k s TRP 3 N -2.82 -0.85 -1.27 -0.32 -2.14 -1.26 -4.09 118.94 106.19 1z3k s TRP 3 Ca 0.50 0.66 -0.14 0.00 2.66 0.00 0.00 56.10 59.78 1z3k s TRP 3 Cb 0.41 0.21 -0.05 0.00 -3.10 0.00 0.00 33.47 30.94 1z3k s TRP 3 CO 0.11 -0.48 2.31 0.66 -2.66 0.00 0.00 176.95 176.89 1z3k n TYR 4 N 5.32 2.62 -3.56 1.66 4.01 -1.26 -4.92 117.16 121.03 1z3k n TYR 4 Ca 0.02 -2.61 0.00 0.00 -0.16 0.00 0.00 57.90 55.15 1z3k n TYR 4 Cb 0.55 -2.24 0.00 0.00 -0.31 0.00 0.00 39.34 37.34 1z3k n TYR 4 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 1z3k n TYR 5 N 5.58 -0.40 1.52 -0.72 4.19 -1.26 -2.22 117.16 123.85 1z3k n TYR 5 Ca 0.57 0.00 0.11 0.00 3.31 0.00 0.00 57.90 61.88 1z3k n TYR 5 Cb 0.32 0.11 0.63 0.00 0.49 0.00 0.00 39.34 40.89 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 0.00 -0.76 3.40 2.98 0.00 -1.26 -4.61 105.19 104.93 1z3k n GLY 6 Ca 0.00 -0.13 -0.39 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.91 5.57 0.06 1.61 0.02 -0.94 -3.60 114.94 115.75 1z3k s ASN 7 Ca 0.32 -0.77 -0.00 0.00 -1.02 0.00 0.00 52.86 51.39 1z3k s ASN 7 Cb 0.15 -1.99 0.00 0.00 0.02 0.00 0.00 41.25 39.42 1z3k s ASN 7 CO 0.25 -0.28 0.08 0.52 0.02 0.00 0.00 177.10 177.69 1z3k n VAL 8 N 4.97 0.00 -0.59 1.60 0.31 -1.23 -4.41 118.33 118.98 1z3k n VAL 8 Ca -0.13 -0.31 0.03 0.00 -0.01 0.00 0.00 64.34 63.93 1z3k n VAL 8 Cb 0.47 0.19 -0.01 0.00 -0.91 0.00 0.00 33.84 33.58 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 -0.10 0.00 0.00 2.52 -1.04 -1.26 -4.24 114.28 110.16 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 0.10 -0.08 0.00 0.00 -1.82 0.00 0.00 70.33 68.53 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 -1.10 0.00 -0.10 -2.82 0.63 -1.26 -2.90 116.66 109.11 1z3k n ARG 10 Ca 0.00 0.00 -0.14 0.00 -0.92 0.00 0.00 57.85 56.80 1z3k n ARG 10 Cb 0.11 0.00 -0.11 0.00 0.45 0.00 0.00 32.46 32.91 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 0.09 -0.14 -0.00 -1.26 -4.40 115.22 109.51 1z3k n HIS 11 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 57.72 57.56 1z3k n HIS 11 Cb 0.00 -0.85 -0.10 0.00 -0.00 0.00 0.00 29.99 29.04 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 0.00 0.39 -0.05 1.57 1.08 -1.82 -2.54 115.11 113.73 1z3k h GLN 12 Ca -0.49 -0.52 0.01 0.00 -1.45 0.00 0.00 58.65 56.20 1z3k h GLN 12 Cb 1.84 0.18 -0.00 0.00 -0.05 0.00 0.00 27.48 29.44 1z3k h GLN 12 CO -0.05 1.20 0.13 0.00 -0.95 0.00 0.00 178.83 179.16 1z3k h ALA 13 N 0.59 1.36 0.00 3.87 0.00 -1.78 1.23 119.26 124.52 1z3k h ALA 13 Ca -0.12 -0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.52 1z3k h ALA 13 Cb 1.81 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.57 1z3k h ALA 13 CO 0.20 -0.15 -1.54 0.39 0.00 0.00 0.00 179.25 178.14 1z3k n GLU 14 N -3.34 0.56 0.10 0.00 -0.58 -1.21 -1.75 120.64 114.41 1z3k n GLU 14 Ca -0.02 0.46 0.08 0.00 -0.42 0.00 0.00 57.16 57.26 1z3k n GLU 14 Cb 0.21 -1.65 0.39 0.00 -0.57 0.00 0.00 31.44 29.82 1z3k n GLU 14 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1z3k n ALA 16 N -1.68 1.64 -0.09 0.00 0.00 0.42 -4.59 120.51 116.21 1z3k n ALA 16 Ca 0.00 -0.86 0.03 0.00 0.00 0.00 0.00 53.44 52.61 1z3k n ALA 16 Cb 0.08 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.61 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 -2.71 2.47 -0.61 0.00 4.77 -0.72 -4.70 117.00 115.50 1z3k n LEU 17 Ca -0.26 -1.99 0.48 0.00 -0.03 0.00 0.00 56.01 54.21 1z3k n LEU 17 Cb 0.91 -0.12 0.79 0.00 -2.33 0.00 0.00 43.42 42.67 1z3k n LEU 17 CO 0.25 0.62 1.42 -1.13 -1.33 0.00 0.00 177.39 177.22 1z3k h ASN 18 N 1.06 0.04 1.11 -1.43 -1.24 0.52 2.10 115.58 117.74 1z3k h ASN 18 Ca 0.00 0.03 -0.11 0.00 0.71 0.00 0.00 56.30 56.93 1z3k h ASN 18 Cb 0.62 0.03 -0.02 0.00 0.73 0.00 0.00 38.32 39.68 1z3k h ASN 18 CO 0.00 -0.04 -0.50 -0.08 -1.29 0.00 0.00 177.43 175.52 1z3k h GLU 19 N 0.01 0.00 -3.29 6.67 4.57 -1.84 -3.49 114.58 117.21 1z3k h GLU 19 Ca 0.87 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 59.05 1z3k h GLU 19 Cb 3.37 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 31.95 1z3k h GLU 19 CO -0.09 0.50 -0.21 -2.13 -1.18 0.00 0.00 179.01 175.91 1z3k n ARG 20 N -3.40 -0.62 -0.86 1.92 0.00 0.71 -4.99 116.66 109.43 1z3k n ARG 20 Ca 0.01 0.90 0.00 0.00 -0.00 0.00 0.00 57.85 58.75 1z3k n ARG 20 Cb 0.65 -1.59 0.00 0.00 0.00 0.00 0.00 32.46 31.52 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 0.21 -0.87 2.85 5.14 0.00 -1.26 -4.92 105.19 106.34 1z3k n GLY 21 Ca -0.05 -0.40 -0.24 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.30 0.69 0.00 1.61 1.01 -1.26 -4.76 120.40 117.39 1z3k s VAL 22 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 61.98 61.88 1z3k s VAL 22 Cb 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 36.38 35.62 1z3k s VAL 22 CO 0.00 0.30 0.00 -1.84 0.00 0.00 0.00 175.10 173.56 1z3k n GLU 23 N 4.84 0.00 -2.81 2.72 0.28 -1.26 -3.09 120.64 121.32 1z3k n GLU 23 Ca -0.13 0.00 -0.07 0.00 -0.16 0.00 0.00 57.16 56.80 1z3k n GLU 23 Cb 0.50 0.00 0.01 0.00 1.43 0.00 0.00 31.44 33.38 1z3k n GLU 23 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1z3k n GLY 24 N 0.00 -0.16 3.63 -1.84 0.00 -1.26 -4.05 105.19 101.51 1z3k n GLY 24 Ca 0.00 0.22 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 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 0.06 6.27 -0.04 1.61 1.11 -1.18 -4.62 116.67 119.88 1z3k s ASP 25 Ca 0.31 0.31 0.02 0.00 0.18 0.00 0.00 52.55 53.37 1z3k s ASP 25 Cb 0.07 -2.19 0.01 0.00 1.07 0.00 0.00 42.92 41.87 1z3k s ASP 25 CO -0.12 -0.11 -0.09 0.12 1.18 0.00 0.00 175.17 176.16 1z3k s PHE 26 N 1.68 1.06 -0.05 4.23 2.19 -1.25 -2.40 117.98 123.43 1z3k s PHE 26 Ca 0.14 -0.31 -0.06 0.00 0.33 0.00 0.00 56.93 57.04 1z3k s PHE 26 Cb -0.15 -0.79 0.01 0.00 -1.31 0.00 0.00 43.02 40.78 1z3k s PHE 26 CO 0.09 -0.16 0.16 -0.48 1.83 0.00 0.00 175.22 176.65 1z3k s LEU 27 N 0.46 1.42 0.01 6.12 2.34 -1.08 -2.25 118.68 125.71 1z3k s LEU 27 Ca -0.08 0.22 0.08 0.00 0.06 0.00 0.00 54.13 54.41 1z3k s LEU 27 Cb -0.12 0.57 -0.03 0.00 -0.56 0.00 0.00 46.19 46.06 1z3k s LEU 27 CO 0.01 -0.12 -0.23 -0.63 -1.06 0.00 0.00 176.35 174.33 1z3k s ILE 28 N -0.20 2.38 0.15 1.48 1.01 -1.26 -1.88 121.20 122.89 1z3k s ILE 28 Ca -0.03 -1.16 0.06 0.00 0.00 0.00 0.00 60.65 59.52 1z3k s ILE 28 Cb -0.02 -1.92 -0.04 0.00 0.01 0.00 0.00 42.46 40.49 1z3k s ILE 28 CO 0.00 0.46 -0.14 -0.13 0.00 0.00 0.00 174.94 175.13 1z3k s ARG 29 N -1.02 1.13 -0.18 2.79 0.52 0.34 -3.58 118.95 118.95 1z3k s ARG 29 Ca 0.12 -1.38 -0.09 0.00 -0.52 0.00 0.00 55.73 53.85 1z3k s ARG 29 Cb -0.10 -0.95 -0.05 0.00 0.52 0.00 0.00 34.95 34.37 1z3k s ARG 29 CO 0.02 0.17 0.13 0.34 0.02 0.00 0.00 175.30 175.97 1z3k s ASP 30 N -2.81 6.22 -0.77 0.23 2.15 -1.24 -0.67 116.67 119.79 1z3k s ASP 30 Ca 0.14 0.27 -0.18 0.00 0.43 0.00 0.00 52.55 53.21 1z3k s ASP 30 Cb -0.03 -2.08 0.13 0.00 -0.30 0.00 0.00 42.92 40.64 1z3k s ASP 30 CO 0.04 0.22 0.91 -0.55 -0.17 0.00 0.00 175.17 175.62 1z3k s SER 31 N 0.10 6.45 0.55 -0.34 0.15 0.11 -4.89 113.70 115.83 1z3k s SER 31 Ca 0.09 -1.82 0.43 0.00 0.70 0.00 0.00 55.95 55.35 1z3k s SER 31 Cb -0.11 -2.34 1.63 0.00 -1.71 0.00 0.00 66.02 63.49 1z3k s SER 31 CO -0.01 -1.05 1.70 1.05 1.20 0.00 0.00 173.24 176.13 1z3k h GLU 32 N 8.87 0.01 -0.72 5.44 4.11 -1.97 0.45 114.58 130.77 1z3k h GLU 32 Ca -0.05 -0.00 0.21 0.00 0.07 0.00 0.00 59.36 59.58 1z3k h GLU 32 Cb 1.05 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.27 1z3k h GLU 32 CO 1.06 0.00 0.60 1.03 0.07 0.00 0.00 179.01 181.77 1z3k h SER 33 N 0.01 0.00 -4.31 3.06 0.87 -1.95 -3.41 113.55 107.83 1z3k h SER 33 Ca 0.74 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 61.20 1z3k h SER 33 Cb 2.95 0.00 -0.22 0.00 -0.44 0.00 0.00 62.40 64.69 1z3k h SER 33 CO -0.02 0.00 -0.14 -0.44 -0.53 0.00 0.00 176.83 175.70 1z3k s SER 34 N -5.36 -0.44 0.00 6.23 0.01 0.16 -5.03 113.70 109.27 1z3k s SER 34 Ca -0.05 0.72 0.22 0.00 1.31 0.00 0.00 55.95 58.15 1z3k s SER 34 Cb 0.19 0.76 1.19 0.00 0.21 0.00 0.00 66.02 68.36 1z3k s SER 34 CO 0.67 -0.29 1.69 -0.81 0.41 0.00 0.00 173.24 174.90 1z3k n PRO 35 N 2.21 0.48 -2.48 12.44 -0.04 -1.26 -3.35 135.00 143.00 1z3k n PRO 35 Ca -0.16 0.05 -0.18 0.00 -0.04 0.00 0.00 63.50 63.17 1z3k n PRO 35 Cb 0.57 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.54 1z3k n PRO 35 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1z3k n SER 36 N -1.16 3.44 -3.72 3.54 7.64 -1.26 -5.03 113.62 117.08 1z3k n SER 36 Ca 0.13 -3.22 -0.15 0.00 1.01 0.00 0.00 58.87 56.64 1z3k n SER 36 Cb 0.13 -0.46 -0.15 0.00 -1.01 0.00 0.00 64.21 62.72 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 -3.48 0.25 0.02 6.43 -1.08 -1.21 -3.20 116.67 114.40 1z3k s ASP 37 Ca 0.40 0.29 -0.05 0.00 -0.52 0.00 0.00 52.55 52.68 1z3k s ASP 37 Cb 0.41 0.20 -0.01 0.00 -1.46 0.00 0.00 42.92 42.06 1z3k s ASP 37 CO -0.06 -0.19 0.08 -0.36 0.52 0.00 0.00 175.17 175.16 1z3k s PHE 38 N 1.61 0.15 0.01 -5.34 0.40 0.12 0.10 117.98 115.02 1z3k s PHE 38 Ca -0.04 -0.34 0.04 0.00 -0.60 0.00 0.00 56.93 55.99 1z3k s PHE 38 Cb -0.12 -0.12 -0.01 0.00 0.51 0.00 0.00 43.02 43.28 1z3k s PHE 38 CO -0.06 -0.27 -0.13 0.45 0.70 0.00 0.00 175.22 175.91 1z3k s SER 39 N -1.57 1.57 -0.09 1.36 0.15 0.16 0.23 113.70 115.50 1z3k s SER 39 Ca -0.13 -0.31 -0.07 0.00 0.70 0.00 0.00 55.95 56.14 1z3k s SER 39 Cb -0.07 -0.15 0.03 0.00 -1.71 0.00 0.00 66.02 64.12 1z3k s SER 39 CO -0.00 0.12 0.24 0.54 1.20 0.00 0.00 173.24 175.33 1z3k s VAL 40 N -0.48 -0.02 -0.03 4.45 0.11 -0.92 0.13 120.40 123.63 1z3k s VAL 40 Ca 0.04 0.07 0.06 0.00 -2.93 0.00 0.00 61.98 59.22 1z3k s VAL 40 Cb -0.06 -0.35 -0.01 0.00 -1.53 0.00 0.00 36.38 34.43 1z3k s VAL 40 CO 0.00 0.03 -0.22 -0.44 -3.33 0.00 0.00 175.10 171.14 1z3k s SER 41 N 0.65 2.66 0.25 3.54 0.01 -0.79 -2.62 113.70 117.41 1z3k s SER 41 Ca -0.04 -0.42 0.10 0.00 1.31 0.00 0.00 55.95 56.90 1z3k s SER 41 Cb -0.06 -0.46 -0.05 0.00 0.21 0.00 0.00 66.02 65.66 1z3k s SER 41 CO -0.04 0.25 -0.18 -0.22 0.41 0.00 0.00 173.24 173.47 1z3k s LEU 42 N -0.36 2.57 0.00 2.44 2.96 0.80 -2.62 118.68 124.47 1z3k s LEU 42 Ca 0.04 -1.02 0.01 0.00 -0.22 0.00 0.00 54.13 52.94 1z3k s LEU 42 Cb -0.10 -0.93 0.01 0.00 0.50 0.00 0.00 46.19 45.67 1z3k s LEU 42 CO 0.01 -0.04 0.08 0.29 -1.32 0.00 0.00 176.35 175.37 1z3k n LYS 43 N -0.51 1.37 -3.03 1.98 4.76 -1.01 0.01 118.16 121.73 1z3k n LYS 43 Ca -0.06 -1.00 0.00 0.00 -2.87 0.00 0.00 58.31 54.38 1z3k n LYS 43 Cb 0.60 0.15 0.00 0.00 -1.84 0.00 0.00 35.03 33.94 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 -2.64 0.00 -1.76 7.82 0.00 0.12 -4.59 120.51 119.46 1z3k n ALA 44 Ca -0.05 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.20 1z3k n ALA 44 Cb 0.18 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.54 1z3k n ALA 44 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1z3k s SER 45 N -2.15 3.98 0.00 0.00 1.04 -1.26 -2.79 113.70 112.52 1z3k s SER 45 Ca 0.00 -1.10 0.00 0.00 0.48 0.00 0.00 55.95 55.33 1z3k s SER 45 Cb 0.00 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.53 1z3k s SER 45 CO 0.00 -4.15 0.00 0.61 0.98 0.00 0.00 173.24 170.68 1z3k n GLY 46 N 6.11 2.01 3.78 7.32 0.00 -1.26 -5.00 105.19 118.16 1z3k n GLY 46 Ca 0.43 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.23 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 -0.01 2.56 -0.24 1.61 -0.14 -1.12 -4.93 119.74 117.48 1z3k s LYS 47 Ca 0.00 -1.39 -0.03 0.00 -1.36 0.00 0.00 55.97 53.19 1z3k s LYS 47 Cb 0.00 -2.33 0.13 0.00 -1.68 0.00 0.00 37.83 33.94 1z3k s LYS 47 CO 0.00 0.15 0.35 0.54 -0.76 0.00 0.00 175.35 175.63 1z3k s ASN 48 N -3.89 0.45 -0.65 2.83 4.22 -1.26 0.12 114.94 116.76 1z3k s ASN 48 Ca 0.38 0.12 -0.23 0.00 -2.14 0.00 0.00 52.86 50.99 1z3k s ASN 48 Cb -0.05 0.99 0.06 0.00 1.28 0.00 0.00 41.25 43.53 1z3k s ASN 48 CO 0.24 -0.31 0.99 -0.54 -2.04 0.00 0.00 177.10 175.44 1z3k s LYS 49 N 2.51 3.15 -0.25 3.55 3.01 0.10 -4.91 119.74 126.89 1z3k s LYS 49 Ca 0.12 -0.71 -0.10 0.00 -1.01 0.00 0.00 55.97 54.27 1z3k s LYS 49 Cb -0.15 -4.20 -0.05 0.00 -1.01 0.00 0.00 37.83 32.42 1z3k s LYS 49 CO -0.16 -1.80 0.15 -1.58 0.51 0.00 0.00 175.35 172.47 1z3k s HIS 50 N 4.18 3.25 0.07 3.18 2.46 -1.26 -0.14 115.29 127.02 1z3k s HIS 50 Ca 0.24 0.10 -0.12 0.00 0.47 0.00 0.00 55.06 55.75 1z3k s HIS 50 Cb -0.16 -2.28 0.01 0.00 -0.13 0.00 0.00 32.58 30.03 1z3k s HIS 50 CO 0.12 -0.05 0.26 -0.06 -2.47 0.00 0.00 174.74 172.54 1z3k s PHE 51 N 1.26 -0.01 -0.07 3.88 0.08 -1.08 -4.98 117.98 117.07 1z3k s PHE 51 Ca 0.07 -0.25 0.02 0.00 0.12 0.00 0.00 56.93 56.88 1z3k s PHE 51 Cb -0.14 0.04 -0.03 0.00 -0.57 0.00 0.00 43.02 42.32 1z3k s PHE 51 CO 0.06 -0.52 -0.11 -1.59 -0.10 0.00 0.00 175.22 172.96 1z3k s LYS 52 N -3.08 2.75 -0.44 0.44 0.00 -1.26 -2.16 119.74 115.99 1z3k s LYS 52 Ca -0.01 -0.63 -0.19 0.00 0.00 0.00 0.00 55.97 55.14 1z3k s LYS 52 Cb 0.01 -2.51 0.03 0.00 0.00 0.00 0.00 37.83 35.36 1z3k s LYS 52 CO -0.07 0.58 0.52 0.08 0.00 0.00 0.00 175.35 176.46 1z3k s VAL 53 N -0.59 4.99 0.05 1.79 1.01 0.61 -1.89 120.40 126.37 1z3k s VAL 53 Ca 0.09 -0.23 0.08 0.00 0.00 0.00 0.00 61.98 61.92 1z3k s VAL 53 Cb -0.11 -4.12 -0.03 0.00 0.00 0.00 0.00 36.38 32.12 1z3k s VAL 53 CO 0.02 -0.52 -0.22 -1.58 0.00 0.00 0.00 175.10 172.79 1z3k s GLN 54 N 2.39 1.45 -0.34 2.72 2.00 0.10 0.12 119.66 128.10 1z3k s GLN 54 Ca 0.16 -1.01 -0.24 0.00 -2.00 0.00 0.00 55.36 52.26 1z3k s GLN 54 Cb -0.16 -1.60 0.01 0.00 0.80 0.00 0.00 33.01 32.05 1z3k s GLN 54 CO 0.15 0.41 0.83 -0.51 -0.50 0.00 0.00 175.29 175.66 1z3k s LEU 55 N -1.29 4.08 -0.08 3.68 1.43 -1.19 0.85 118.68 126.15 1z3k s LEU 55 Ca 0.08 0.57 0.00 0.00 -1.03 0.00 0.00 54.13 53.75 1z3k s LEU 55 Cb -0.09 -3.12 -0.03 0.00 0.03 0.00 0.00 46.19 42.98 1z3k s LEU 55 CO 0.02 -0.71 -0.07 0.54 0.23 0.00 0.00 176.35 176.36 1z3k s VAL 56 N 3.14 3.68 -1.01 -1.59 0.11 0.69 -4.73 120.40 120.68 1z3k s VAL 56 Ca 0.34 -0.48 -0.25 0.00 -2.93 0.00 0.00 61.98 58.66 1z3k s VAL 56 Cb -0.13 -2.52 0.03 0.00 -1.53 0.00 0.00 36.38 32.23 1z3k s VAL 56 CO 0.15 0.58 0.47 -0.90 -3.33 0.00 0.00 175.10 172.07 1z3k n ASP 57 N 2.49 -2.73 -1.97 3.54 5.75 -1.26 0.25 116.55 122.62 1z3k n ASP 57 Ca -0.18 -1.05 -0.21 0.00 -0.01 0.00 0.00 54.79 53.34 1z3k n ASP 57 Cb 0.53 -1.27 -0.05 0.00 -1.03 0.00 0.00 41.12 39.30 1z3k n ASP 57 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 1z3k n ASN 58 N -1.61 -5.72 -4.30 -1.12 6.94 -1.26 -4.96 115.26 103.23 1z3k n ASN 58 Ca -0.11 0.27 -0.16 0.00 -0.02 0.00 0.00 54.58 54.55 1z3k n ASN 58 Cb 0.46 -4.90 -0.10 0.00 -2.36 0.00 0.00 39.78 32.88 1z3k n ASN 58 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1z3k s VAL 59 N -2.90 1.30 -0.21 3.53 1.01 0.70 -5.10 120.40 118.73 1z3k s VAL 59 Ca 0.00 -2.09 -0.08 0.00 0.00 0.00 0.00 61.98 59.81 1z3k s VAL 59 Cb 0.00 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 1z3k s VAL 59 CO 0.00 -0.61 0.07 -0.31 0.00 0.00 0.00 175.10 174.26 1z3k s TYR 60 N -3.25 3.19 0.16 5.22 2.02 -1.01 0.25 117.35 123.93 1z3k s TYR 60 Ca 0.21 -0.08 0.11 0.00 -0.37 0.00 0.00 57.07 56.94 1z3k s TYR 60 Cb 0.02 -2.15 -0.04 0.00 -0.40 0.00 0.00 41.96 39.39 1z3k s TYR 60 CO 0.04 -0.03 -0.24 0.00 -1.57 0.00 0.00 175.55 173.75 1z3k s ILE 62 N -1.41 0.11 0.00 0.00 1.01 -0.39 0.00 121.20 120.51 1z3k s ILE 62 Ca 0.18 0.28 0.00 0.00 0.00 0.00 0.00 60.65 61.11 1z3k s ILE 62 Cb -0.09 -0.33 0.00 0.00 0.01 0.00 0.00 42.46 42.05 1z3k s ILE 62 CO 0.09 0.20 0.00 0.61 0.00 0.00 0.00 174.94 175.84 1z3k n GLY 63 N 5.23 0.56 1.71 6.18 0.00 -0.79 -1.44 105.19 116.64 1z3k n GLY 63 Ca -0.05 0.59 -0.02 0.00 0.00 0.00 0.00 46.02 46.54 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 0.00 0.50 -4.21 1.61 1.13 -1.26 -4.86 117.38 110.29 1z3k n GLN 64 Ca 0.00 -1.65 -0.12 0.00 -1.94 0.00 0.00 57.00 53.29 1z3k n GLN 64 Cb 0.00 0.07 -0.10 0.00 0.11 0.00 0.00 30.24 30.32 1z3k n GLN 64 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1z3k s ARG 65 N -0.48 1.09 0.09 -1.09 1.81 -0.52 -5.09 118.95 114.75 1z3k s ARG 65 Ca 0.15 -1.54 0.09 0.00 -1.72 0.00 0.00 55.73 52.70 1z3k s ARG 65 Cb 0.24 -0.00 -0.04 0.00 -0.45 0.00 0.00 34.95 34.70 1z3k s ARG 65 CO -0.08 -0.23 -0.20 1.03 -0.68 0.00 0.00 175.30 175.14 1z3k s ARG 66 N -4.01 1.83 0.09 3.54 1.81 -1.26 -1.27 118.95 119.68 1z3k s ARG 66 Ca 0.28 -1.13 0.01 0.00 -1.72 0.00 0.00 55.73 53.17 1z3k s ARG 66 Cb 0.07 -2.10 -0.04 0.00 -0.45 0.00 0.00 34.95 32.42 1z3k s ARG 66 CO 0.05 0.50 -0.06 -0.06 -0.68 0.00 0.00 175.30 175.05 1z3k s PHE 67 N -1.04 0.81 -0.44 -0.53 0.40 0.55 -4.73 117.98 113.00 1z3k s PHE 67 Ca 0.16 -0.91 0.15 0.00 -0.60 0.00 0.00 56.93 55.74 1z3k s PHE 67 Cb -0.10 -0.49 0.75 0.00 0.51 0.00 0.00 43.02 43.69 1z3k s PHE 67 CO 0.08 -0.18 1.67 1.58 0.70 0.00 0.00 175.22 179.06 1z3k n HIS 68 N 0.10 1.76 -4.00 0.36 -0.00 -1.26 -2.42 115.22 109.76 1z3k n HIS 68 Ca -0.13 -0.72 -0.12 0.00 0.46 0.00 0.00 57.72 57.20 1z3k n HIS 68 Cb 0.60 -0.42 -0.03 0.00 -0.12 0.00 0.00 29.99 30.03 1z3k n HIS 68 CO 0.00 0.00 0.00 -0.08 0.46 0.00 0.00 176.34 176.72 1z3k s THR 69 N -2.55 0.00 -0.30 3.57 -1.32 -1.26 -4.99 115.64 108.78 1z3k s THR 69 Ca 0.52 -1.40 -0.12 0.00 -1.21 0.00 0.00 61.69 59.47 1z3k s THR 69 Cb 0.38 -2.63 0.15 0.00 -1.51 0.00 0.00 72.50 68.90 1z3k s THR 69 CO 0.17 0.00 0.84 -0.32 -2.21 0.00 0.00 174.62 173.10 1z3k s MET 70 N -3.02 0.41 0.00 7.08 1.75 -1.26 -4.50 119.30 119.76 1z3k s MET 70 Ca 0.25 1.02 0.00 0.00 -1.25 0.00 0.00 55.69 55.71 1z3k s MET 70 Cb -0.02 0.61 0.00 0.00 2.84 0.00 0.00 34.83 38.26 1z3k s MET 70 CO 0.16 -0.17 0.00 -3.47 -0.65 0.00 0.00 175.02 170.89 1z3k n ASP 71 N 5.20 0.00 -0.00 1.11 -0.08 -1.26 -4.74 116.55 116.78 1z3k n ASP 71 Ca -0.10 0.00 0.06 0.00 -1.51 0.00 0.00 54.79 53.24 1z3k n ASP 71 Cb 0.51 0.00 -0.09 0.00 2.34 0.00 0.00 41.12 43.88 1z3k n ASP 71 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1z3k n GLU 72 N -2.00 0.73 0.00 -0.67 4.71 -1.26 -4.40 120.64 117.74 1z3k n GLU 72 Ca 0.00 -0.10 0.12 0.00 -0.01 0.00 0.00 57.16 57.17 1z3k n GLU 72 Cb 0.00 -1.26 0.60 0.00 -1.01 0.00 0.00 31.44 29.78 1z3k n GLU 72 CO 0.00 0.00 0.00 1.47 0.09 0.00 0.00 177.13 178.69 1z3k n LEU 73 N -1.83 0.00 0.01 -4.62 -0.00 -1.26 -2.73 117.00 106.57 1z3k n LEU 73 Ca -0.02 0.28 0.13 0.00 -0.00 0.00 0.00 56.01 56.41 1z3k n LEU 73 Cb 0.30 -0.28 0.44 0.00 -0.00 0.00 0.00 43.42 43.88 1z3k n LEU 73 CO 0.25 -0.06 0.74 0.52 -0.00 0.00 0.00 177.39 178.84 1z3k n VAL 74 N -1.28 0.08 0.17 1.47 0.31 -1.26 0.26 118.33 118.08 1z3k n VAL 74 Ca 0.11 -0.05 0.11 0.00 -0.01 0.00 0.00 64.34 64.50 1z3k n VAL 74 Cb 0.19 -0.23 -0.16 0.00 -0.91 0.00 0.00 33.84 32.73 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 -1.61 0.56 0.00 5.55 0.28 -1.10 -4.47 120.64 119.83 1z3k n GLU 75 Ca 0.06 -0.16 0.00 0.00 -0.16 0.00 0.00 57.16 56.90 1z3k n GLU 75 Cb 0.35 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.72 1z3k n GLU 75 CO 0.00 0.00 0.00 1.58 -0.16 0.00 0.00 177.13 178.55 1z3k n HIS 76 N -2.10 0.00 -3.82 -1.84 -0.00 -1.21 -5.06 115.22 101.19 1z3k n HIS 76 Ca -0.02 0.00 -0.29 0.00 0.46 0.00 0.00 57.72 57.87 1z3k n HIS 76 Cb 0.51 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.39 1z3k n HIS 76 CO 0.00 0.00 0.00 2.48 0.46 0.00 0.00 176.34 179.28 1z3k n TYR 77 N -0.17 -1.73 0.00 1.57 4.11 0.74 -4.90 117.16 116.78 1z3k n TYR 77 Ca 0.00 0.58 0.00 0.00 -0.00 0.00 0.00 57.90 58.48 1z3k n TYR 77 Cb 0.08 -2.56 0.00 0.00 -0.00 0.00 0.00 39.34 36.86 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 -3.12 0.00 -3.16 -3.48 4.76 -1.25 -4.26 118.16 107.66 1z3k n LYS 78 Ca -0.26 0.17 -0.25 0.00 -2.87 0.00 0.00 58.31 55.11 1z3k n LYS 78 Cb 0.62 -0.99 -0.05 0.00 -1.84 0.00 0.00 35.03 32.76 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 -0.67 2.30 -3.95 1.97 4.01 -1.26 -5.08 118.16 115.48 1z3k n LYS 79 Ca 0.00 -4.33 -0.27 0.00 -0.51 0.00 0.00 58.31 53.19 1z3k n LYS 79 Cb 0.00 -2.02 -0.04 0.00 -0.51 0.00 0.00 35.03 32.47 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 -2.70 3.94 -1.56 7.82 0.00 -1.26 -4.53 121.76 123.48 1z3k s ALA 80 Ca 0.43 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 51.39 1z3k s ALA 80 Cb 0.24 -1.76 0.00 0.00 0.00 0.00 0.00 23.12 21.60 1z3k s ALA 80 CO -0.09 0.62 0.12 -0.35 0.00 0.00 0.00 175.76 176.06 1z3k n PRO 81 N -0.29 0.00 -1.77 0.00 -0.04 -1.26 -4.71 135.00 126.92 1z3k n PRO 81 Ca -0.07 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.01 1z3k n PRO 81 Cb 0.53 -1.16 0.04 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 -1.63 2.04 0.06 0.52 1.01 -1.26 -4.97 121.20 116.97 1z3k s ILE 82 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 60.65 60.69 1z3k s ILE 82 Cb 0.00 -3.02 -0.03 0.00 0.01 0.00 0.00 42.46 39.42 1z3k s ILE 82 CO 0.00 0.00 -0.05 -0.36 0.00 0.00 0.00 174.94 174.53 1z3k s PHE 83 N -1.29 0.59 -0.20 3.97 0.08 -1.09 -4.91 117.98 115.13 1z3k s PHE 83 Ca 0.71 -0.82 0.00 0.00 0.12 0.00 0.00 56.93 56.93 1z3k s PHE 83 Cb -0.41 -0.38 0.05 0.00 -0.57 0.00 0.00 43.02 41.71 1z3k s PHE 83 CO 0.49 -0.23 -0.06 0.99 -0.10 0.00 0.00 175.22 176.31 1z3k s THR 84 N -2.92 1.36 0.33 0.64 2.01 -1.26 0.18 115.64 115.98 1z3k s THR 84 Ca 0.01 -0.96 0.10 0.00 0.31 0.00 0.00 61.69 61.14 1z3k s THR 84 Cb 0.01 -1.58 -0.06 0.00 0.01 0.00 0.00 72.50 70.87 1z3k s THR 84 CO -0.05 0.01 -0.11 -0.55 -0.69 0.00 0.00 174.62 173.24 1z3k s SER 85 N 1.50 3.67 0.30 3.53 0.15 -1.05 -4.93 113.70 116.86 1z3k s SER 85 Ca -0.03 -1.18 0.00 0.00 0.70 0.00 0.00 55.95 55.45 1z3k s SER 85 Cb -0.17 -0.33 0.00 0.00 -1.71 0.00 0.00 66.02 63.80 1z3k s SER 85 CO -0.07 -0.18 0.00 1.21 1.20 0.00 0.00 173.24 175.40 1z3k n GLU 86 N -0.76 0.00 0.46 5.44 4.07 -1.26 -1.53 120.64 127.06 1z3k n GLU 86 Ca -0.05 0.00 -0.19 0.00 -0.06 0.00 0.00 57.16 56.86 1z3k n GLU 86 Cb 0.63 0.00 -0.09 0.00 -0.06 0.00 0.00 31.44 31.92 1z3k n GLU 86 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1z3k h HIS 87 N 0.00 -1.07 -0.14 4.31 3.86 -2.06 -3.41 115.15 116.63 1z3k h HIS 87 Ca 0.00 -0.03 -0.19 0.00 -1.16 0.00 0.00 60.37 59.00 1z3k h HIS 87 Cb 0.00 0.35 -0.30 0.00 1.06 0.00 0.00 27.41 28.53 1z3k h HIS 87 CO 0.00 -0.66 -0.77 0.41 0.86 0.00 0.00 177.93 177.77 1z3k n GLY 88 N -1.41 1.40 2.76 2.45 0.00 -1.24 -4.97 105.19 104.18 1z3k n GLY 88 Ca -0.15 -0.62 -0.42 0.00 0.00 0.00 0.00 46.02 44.83 1z3k n GLY 88 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1z3k n GLU 89 N -0.40 4.60 -4.02 1.61 0.28 -0.58 -4.97 120.64 117.16 1z3k n GLU 89 Ca -0.05 -4.13 -0.36 0.00 -0.16 0.00 0.00 57.16 52.46 1z3k n GLU 89 Cb 0.90 -2.61 -0.07 0.00 1.43 0.00 0.00 31.44 31.08 1z3k n GLU 89 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 1z3k s LYS 90 N -2.20 3.34 -1.04 3.44 3.01 -1.26 -2.52 119.74 122.52 1z3k s LYS 90 Ca 0.40 -0.22 -0.23 0.00 -1.01 0.00 0.00 55.97 54.92 1z3k s LYS 90 Cb 0.13 -3.08 0.05 0.00 -1.01 0.00 0.00 37.83 33.92 1z3k s LYS 90 CO -0.02 0.73 1.46 -0.51 0.51 0.00 0.00 175.35 177.52 1z3k s LEU 91 N -0.91 3.55 -0.02 3.17 1.43 0.47 -4.89 118.68 121.48 1z3k s LEU 91 Ca 0.14 -1.53 -0.05 0.00 -1.03 0.00 0.00 54.13 51.66 1z3k s LEU 91 Cb -0.12 -2.57 -0.04 0.00 0.03 0.00 0.00 46.19 43.49 1z3k s LEU 91 CO 0.03 -1.48 0.21 -0.31 0.23 0.00 0.00 176.35 175.04 1z3k s TYR 92 N 4.89 3.57 -1.40 0.29 2.02 -1.26 -2.66 117.35 122.79 1z3k s TYR 92 Ca 0.46 0.47 -0.11 0.00 -0.37 0.00 0.00 57.07 57.53 1z3k s TYR 92 Cb 0.00 -1.91 -0.06 0.00 -0.40 0.00 0.00 41.96 39.59 1z3k s TYR 92 CO -0.09 0.64 2.58 1.28 -1.57 0.00 0.00 175.55 178.39 1z3k n LEU 93 N 1.16 7.34 0.00 -1.29 4.77 -1.26 -4.45 117.00 123.26 1z3k n LEU 93 Ca -0.12 -3.95 0.00 0.00 -0.03 0.00 0.00 56.01 51.91 1z3k n LEU 93 Cb 0.53 -1.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.15 1z3k n LEU 93 CO 0.41 1.43 0.00 1.33 -1.33 0.00 0.00 177.39 179.23 1z3k n VAL 94 N 4.20 0.00 -3.84 4.08 0.24 -1.26 -4.49 118.33 117.26 1z3k n VAL 94 Ca 0.65 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.86 1z3k n VAL 94 Cb 0.26 -0.01 0.00 0.00 -1.47 0.00 0.00 33.84 32.62 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 2.07 0.04 7.34 0.52 -0.95 -4.80 118.95 123.16 1z3k s ARG 95 Ca 0.00 -1.32 -0.30 0.00 -0.52 0.00 0.00 55.73 53.59 1z3k s ARG 95 Cb 0.00 0.61 -0.05 0.00 0.52 0.00 0.00 34.95 36.03 1z3k s ARG 95 CO 0.00 -0.95 1.14 0.00 0.02 0.00 0.00 175.30 175.50 1z3k s ALA 96 N -2.88 3.33 0.26 2.13 0.00 -1.23 -3.92 121.76 119.44 1z3k s ALA 96 Ca 0.15 0.75 0.00 0.00 0.00 0.00 0.00 51.96 52.87 1z3k s ALA 96 Cb -0.05 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.65 1z3k s ALA 96 CO 0.11 -0.39 0.00 1.28 0.00 0.00 0.00 175.76 176.76 1z3k n LEU 97 N 3.96 -5.48 0.00 0.00 4.77 -1.26 -4.24 117.00 114.74 1z3k n LEU 97 Ca 0.08 2.63 0.00 0.00 -0.03 0.00 0.00 56.01 58.69 1z3k n LEU 97 Cb 0.48 -2.48 0.00 0.00 -2.33 0.00 0.00 43.42 39.09 1z3k n LEU 97 CO 0.54 -0.83 0.00 1.67 -1.33 0.00 0.00 177.39 177.44