#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uke s LYS 3 N 0.00 3.75 0.26 5.31 0.00 -1.26 -5.07 119.74 122.73 1uke s LYS 3 Ca 0.00 0.18 -0.30 0.00 0.00 0.00 0.00 55.97 55.85 1uke s LYS 3 Cb 0.00 -2.68 -0.09 0.00 0.00 0.00 0.00 37.83 35.06 1uke s LYS 3 CO 0.00 0.33 1.00 -1.12 0.00 0.00 0.00 175.35 175.56 1uke s SER 4 N -2.46 7.50 0.44 0.03 0.01 -1.26 -5.04 113.70 112.92 1uke s SER 4 Ca 0.46 2.06 -0.26 0.00 1.31 0.00 0.00 55.95 59.52 1uke s SER 4 Cb -0.11 -2.61 -0.09 0.00 0.21 0.00 0.00 66.02 63.41 1uke s SER 4 CO 0.23 0.04 1.42 0.29 0.41 0.00 0.00 173.24 175.63 1uke n LYS 5 N 1.34 2.26 -1.95 12.44 5.02 -1.26 -4.91 118.16 131.10 1uke n LYS 5 Ca -0.02 0.80 -0.41 0.00 -2.02 0.00 0.00 58.31 56.67 1uke n LYS 5 Cb 0.46 -2.61 -0.02 0.00 -0.02 0.00 0.00 35.03 32.85 1uke n LYS 5 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 1uke s PRO 6 N -2.39 4.23 0.21 1.97 0.02 -1.26 -4.67 135.00 133.10 1uke s PRO 6 Ca 0.60 2.39 -0.30 0.00 0.02 0.00 0.00 61.00 63.72 1uke s PRO 6 Cb -0.46 -3.05 -0.08 0.00 0.02 0.00 0.00 34.50 30.93 1uke s PRO 6 CO 0.58 -0.42 0.99 -0.80 -0.33 0.00 0.00 177.00 177.02 1uke s ASN 7 N 0.04 7.51 -0.02 2.53 0.02 -1.26 -0.62 114.94 123.13 1uke s ASN 7 Ca 0.56 1.98 0.05 0.00 -1.02 0.00 0.00 52.86 54.43 1uke s ASN 7 Cb -0.43 -2.61 -0.01 0.00 0.02 0.00 0.00 41.25 38.22 1uke s ASN 7 CO 0.51 0.02 -0.18 -0.69 0.02 0.00 0.00 177.10 176.78 1uke s VAL 8 N -0.80 1.41 -0.17 1.60 1.01 -0.72 -1.11 120.40 121.64 1uke s VAL 8 Ca 0.44 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.68 1uke s VAL 8 Cb -0.27 -1.19 0.03 0.00 0.00 0.00 0.00 36.38 34.95 1uke s VAL 8 CO 0.33 0.40 -0.14 -0.69 0.00 0.00 0.00 175.10 175.01 1uke s VAL 9 N -0.26 1.66 0.10 2.92 1.01 -0.79 -0.18 120.40 124.87 1uke s VAL 9 Ca 0.03 -0.77 -0.30 0.00 0.00 0.00 0.00 61.98 60.93 1uke s VAL 9 Cb -0.08 -1.59 -0.06 0.00 0.00 0.00 0.00 36.38 34.64 1uke s VAL 9 CO 0.00 0.40 1.17 -0.36 0.00 0.00 0.00 175.10 176.30 1uke s PHE 10 N 1.43 3.48 -0.31 5.22 0.08 -0.80 -1.75 117.98 125.34 1uke s PHE 10 Ca 0.03 1.41 -0.04 0.00 0.12 0.00 0.00 56.93 58.45 1uke s PHE 10 Cb -0.14 -3.37 0.04 0.00 -0.57 0.00 0.00 43.02 38.98 1uke s PHE 10 CO -0.10 -1.06 0.04 0.08 -0.10 0.00 0.00 175.22 174.08 1uke s VAL 11 N 0.60 3.38 0.24 -0.44 1.01 -0.49 1.00 120.40 125.70 1uke s VAL 11 Ca 0.55 -1.15 0.09 0.00 0.00 0.00 0.00 61.98 61.47 1uke s VAL 11 Cb -0.30 -2.88 -0.05 0.00 0.00 0.00 0.00 36.38 33.16 1uke s VAL 11 CO 0.32 -0.07 -0.16 -0.76 0.00 0.00 0.00 175.10 174.43 1uke s LEU 12 N 1.35 2.57 0.00 3.92 1.43 -0.03 -0.86 118.68 127.06 1uke s LEU 12 Ca -0.02 -1.04 0.00 0.00 -1.03 0.00 0.00 54.13 52.04 1uke s LEU 12 Cb -0.19 -0.84 0.00 0.00 0.03 0.00 0.00 46.19 45.19 1uke s LEU 12 CO 0.00 -0.11 0.00 0.61 0.23 0.00 0.00 176.35 177.09 1uke n GLY 13 N -0.50 2.41 3.85 -3.19 0.00 -1.26 -1.85 105.19 104.66 1uke n GLY 13 Ca -0.07 -1.31 -0.30 0.00 0.00 0.00 0.00 46.02 44.35 1uke n GLY 13 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1uke s GLY 14 N 0.00 1.77 -0.09 -0.02 0.00 -1.26 -4.88 107.32 102.84 1uke s GLY 14 Ca 0.00 -1.26 -0.29 0.00 0.00 0.00 0.00 44.72 43.17 1uke s GLY 14 CO 0.00 -0.41 2.02 2.56 0.00 0.00 0.00 173.10 177.27 1uke s PRO 15 N -5.85 3.73 0.00 2.90 0.04 -1.26 -1.87 135.00 132.69 1uke s PRO 15 Ca 0.76 2.29 0.00 0.00 0.04 0.00 0.00 61.00 64.08 1uke s PRO 15 Cb -0.04 -4.22 0.00 0.00 0.04 0.00 0.00 34.50 30.28 1uke s PRO 15 CO 0.54 -1.41 0.00 0.41 0.04 0.00 0.00 177.00 176.58 1uke n GLY 16 N 4.99 0.53 0.24 0.56 0.00 -1.26 -4.68 105.19 105.57 1uke n GLY 16 Ca 0.23 -0.64 0.14 0.00 0.00 0.00 0.00 46.02 45.75 1uke n GLY 16 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1uke h SER 17 N 0.00 0.00 0.00 1.61 4.64 -1.71 -3.43 113.55 114.66 1uke h SER 17 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1uke h SER 17 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1uke h SER 17 CO 0.00 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 1uke n GLY 18 N 0.71 1.71 0.17 -0.77 0.00 -1.26 -4.85 105.19 100.90 1uke n GLY 18 Ca 0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 1uke n GLY 18 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1uke h LYS 19 N 0.00 -0.20 -0.07 1.61 1.57 -1.90 -1.94 116.57 115.64 1uke h LYS 19 Ca 0.00 0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 58.68 1uke h LYS 19 Cb 0.00 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 1uke h LYS 19 CO 0.00 -0.13 -0.48 0.78 -0.57 0.00 0.00 179.45 179.04 1uke h GLY 20 N -0.21 0.20 1.05 3.86 0.00 -1.98 -1.17 103.07 104.81 1uke h GLY 20 Ca 0.05 -0.21 -0.09 0.00 0.00 0.00 0.00 47.33 47.08 1uke h GLY 20 CO -0.14 0.19 -0.00 -0.84 0.00 0.00 0.00 176.54 175.74 1uke h THR 21 N 0.15 1.26 0.11 4.70 2.02 -1.95 -2.62 112.91 116.57 1uke h THR 21 Ca 0.01 -1.12 -0.27 0.00 0.77 0.00 0.00 66.41 65.79 1uke h THR 21 Cb 0.91 0.89 -0.00 0.00 -1.74 0.00 0.00 68.15 68.21 1uke h THR 21 CO 0.07 0.40 -1.25 1.56 0.37 0.00 0.00 175.52 176.67 1uke h GLN 22 N 0.86 0.24 0.00 6.66 1.08 -1.17 -3.17 115.11 119.61 1uke h GLN 22 Ca 0.16 -0.40 -0.02 0.00 -1.45 0.00 0.00 58.65 56.93 1uke h GLN 22 Cb 0.55 0.15 -0.00 0.00 -0.05 0.00 0.00 27.48 28.12 1uke h GLN 22 CO 0.03 1.18 -0.09 0.00 -0.95 0.00 0.00 178.83 179.00 1uke h ALA 24 N 1.91 0.85 -0.08 0.00 0.00 -1.44 -1.76 119.26 118.74 1uke h ALA 24 Ca -0.00 -0.53 -0.16 0.00 0.00 0.00 0.00 54.91 54.22 1uke h ALA 24 Cb 0.17 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1uke h ALA 24 CO 0.01 0.71 -0.63 -0.91 0.00 0.00 0.00 179.25 178.43 1uke h ASN 25 N 0.21 0.36 0.02 0.00 2.35 -1.27 -2.62 115.58 114.63 1uke h ASN 25 Ca -0.00 -0.21 -0.17 0.00 -0.55 0.00 0.00 56.30 55.36 1uke h ASN 25 Cb 1.08 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 39.34 1uke h ASN 25 CO 0.09 0.90 -0.60 0.40 -1.65 0.00 0.00 177.43 176.57 1uke h ILE 26 N 0.23 1.32 -0.42 2.81 2.04 -1.17 -1.94 117.51 120.39 1uke h ILE 26 Ca -0.01 -1.87 -0.01 0.00 1.00 0.00 0.00 64.86 63.97 1uke h ILE 26 Cb 1.16 1.84 -0.02 0.00 -0.74 0.00 0.00 36.82 39.06 1uke h ILE 26 CO 0.10 0.58 0.22 0.58 0.00 0.00 0.00 178.15 179.63 1uke h VAL 27 N 0.44 1.17 -0.15 1.67 2.07 -1.30 0.36 116.25 120.50 1uke h VAL 27 Ca -0.00 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.07 1uke h VAL 27 Cb 1.17 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 1uke h VAL 27 CO 0.12 0.18 0.10 -0.09 0.02 0.00 0.00 177.57 177.89 1uke h ARG 28 N 0.54 0.20 0.00 1.57 2.43 -1.37 0.19 114.38 117.94 1uke h ARG 28 Ca 0.15 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1uke h ARG 28 Cb 0.09 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 1uke h ARG 28 CO -0.02 0.13 -1.13 -0.25 -1.51 0.00 0.00 179.97 177.19 1uke n ASP 29 N -4.98 0.63 0.00 -3.80 8.00 -0.74 -4.41 116.55 111.25 1uke n ASP 29 Ca -0.04 0.10 0.00 0.00 0.71 0.00 0.00 54.79 55.56 1uke n ASP 29 Cb 0.03 0.76 0.00 0.00 -0.02 0.00 0.00 41.12 41.89 1uke n ASP 29 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1uke n PHE 30 N -2.35 0.00 -1.71 1.24 3.01 0.11 -5.04 117.46 112.72 1uke n PHE 30 Ca 0.00 0.00 -0.04 0.00 1.01 0.00 0.00 57.45 58.42 1uke n PHE 30 Cb 0.51 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.97 1uke n PHE 30 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1uke n GLY 31 N 1.87 0.40 3.88 1.37 0.00 0.68 -4.99 105.19 108.39 1uke n GLY 31 Ca 0.00 -0.77 -0.30 0.00 0.00 0.00 0.00 46.02 44.94 1uke n GLY 31 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1uke s TRP 32 N -2.20 3.45 -0.24 1.61 0.52 -1.26 -4.79 118.94 116.03 1uke s TRP 32 Ca 0.00 1.16 -0.14 0.00 0.02 0.00 0.00 56.10 57.14 1uke s TRP 32 Cb 0.00 -2.92 -0.04 0.00 -1.15 0.00 0.00 33.47 29.36 1uke s TRP 32 CO 0.00 -0.98 0.32 0.08 0.02 0.00 0.00 176.95 176.39 1uke s VAL 33 N -3.28 5.23 -0.33 4.03 1.01 -0.31 -4.56 120.40 122.19 1uke s VAL 33 Ca 0.57 0.50 -0.20 0.00 0.00 0.00 0.00 61.98 62.85 1uke s VAL 33 Cb -0.11 -3.65 -0.00 0.00 0.00 0.00 0.00 36.38 32.61 1uke s VAL 33 CO 0.53 0.24 0.62 -2.28 0.00 0.00 0.00 175.10 174.20 1uke s HIS 34 N 1.57 3.19 -0.40 5.22 2.46 -1.26 -0.58 115.29 125.48 1uke s HIS 34 Ca 0.14 0.45 -0.05 0.00 0.47 0.00 0.00 55.06 56.08 1uke s HIS 34 Cb -0.15 -3.03 0.09 0.00 -0.13 0.00 0.00 32.58 29.36 1uke s HIS 34 CO 0.08 -0.53 0.20 -0.51 -2.47 0.00 0.00 174.74 171.51 1uke s LEU 35 N 2.62 5.06 -0.45 8.88 1.43 0.27 -4.97 118.68 131.52 1uke s LEU 35 Ca 0.24 -1.78 -0.29 0.00 -1.03 0.00 0.00 54.13 51.27 1uke s LEU 35 Cb -0.15 -1.86 0.03 0.00 0.03 0.00 0.00 46.19 44.24 1uke s LEU 35 CO 0.13 -0.51 1.10 -0.55 0.23 0.00 0.00 176.35 176.75 1uke s SER 36 N 1.88 6.66 0.47 2.29 0.15 -1.26 -0.77 113.70 123.12 1uke s SER 36 Ca 0.05 0.52 0.13 0.00 0.70 0.00 0.00 55.95 57.34 1uke s SER 36 Cb -0.23 -2.54 1.07 0.00 -1.71 0.00 0.00 66.02 62.62 1uke s SER 36 CO -0.02 -1.17 2.08 0.00 1.20 0.00 0.00 173.24 175.32 1uke h ALA 37 N 9.03 1.82 -0.43 5.45 0.00 -1.65 -0.58 119.26 132.90 1uke h ALA 37 Ca -0.23 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.49 1uke h ALA 37 Cb 1.06 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1uke h ALA 37 CO 1.10 0.14 -0.25 0.78 0.00 0.00 0.00 179.25 181.02 1uke h GLY 38 N 0.30 0.98 1.35 0.00 0.00 -1.87 -1.96 103.07 101.86 1uke h GLY 38 Ca 0.04 -0.88 -0.18 0.00 0.00 0.00 0.00 47.33 46.31 1uke h GLY 38 CO -0.00 0.80 -0.62 -0.55 0.00 0.00 0.00 176.54 176.17 1uke h ASP 39 N 0.77 0.76 -0.63 0.19 3.32 -1.83 -1.68 116.42 117.31 1uke h ASP 39 Ca 0.10 -0.44 -0.06 0.00 0.02 0.00 0.00 57.03 56.65 1uke h ASP 39 Cb 0.81 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.11 1uke h ASP 39 CO 0.07 1.19 0.19 -0.07 -1.72 0.00 0.00 179.24 178.90 1uke h LEU 40 N 0.50 0.95 -0.53 1.55 3.38 -1.06 -0.18 115.31 119.91 1uke h LEU 40 Ca -0.01 -0.17 -0.11 0.00 0.09 0.00 0.00 57.88 57.68 1uke h LEU 40 Cb 1.20 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.68 1uke h LEU 40 CO 0.12 0.90 -0.09 -0.07 0.09 0.00 0.00 178.44 179.39 1uke h LEU 41 N 0.98 0.99 -1.28 1.67 3.38 -1.27 -1.15 115.31 118.63 1uke h LEU 41 Ca 0.21 -0.34 -0.05 0.00 0.09 0.00 0.00 57.88 57.79 1uke h LEU 41 Cb 0.30 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1uke h LEU 41 CO -0.01 1.10 -0.02 0.03 0.09 0.00 0.00 178.44 179.64 1uke h ARG 42 N 0.86 0.46 0.00 1.13 3.08 -0.75 -1.29 114.38 117.87 1uke h ARG 42 Ca 0.14 -0.10 -0.14 0.00 0.07 0.00 0.00 59.98 59.95 1uke h ARG 42 Cb 0.65 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.61 1uke h ARG 42 CO 0.04 0.51 -0.67 1.96 -1.07 0.00 0.00 179.97 180.74 1uke h GLN 43 N 0.44 0.00 -0.02 0.04 4.20 -0.73 -1.27 115.11 117.76 1uke h GLN 43 Ca 0.10 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.67 1uke h GLN 43 Cb 0.32 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.09 1uke h GLN 43 CO 0.01 0.67 -0.62 1.49 -0.67 0.00 0.00 178.83 179.71 1uke h GLU 44 N 0.00 0.09 -0.10 1.46 4.57 -0.67 -2.56 114.58 117.36 1uke h GLU 44 Ca -0.01 -0.06 -0.21 0.00 -1.18 0.00 0.00 59.36 57.90 1uke h GLU 44 Cb 1.25 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.85 1uke h GLU 44 CO 0.09 0.68 -0.78 0.37 -1.18 0.00 0.00 179.01 178.18 1uke h GLN 45 N 0.06 0.60 0.00 1.92 4.15 -0.81 -3.33 115.11 117.70 1uke h GLN 45 Ca -0.01 -0.51 -0.17 0.00 0.77 0.00 0.00 58.65 58.73 1uke h GLN 45 Cb 1.11 0.11 -0.03 0.00 0.21 0.00 0.00 27.48 28.88 1uke h GLN 45 CO 0.09 1.13 -0.85 1.96 -1.93 0.00 0.00 178.83 179.23 1uke h GLN 46 N 0.40 0.00 -7.47 1.69 4.20 -1.23 -3.41 115.11 109.29 1uke h GLN 46 Ca -0.05 0.00 -0.46 0.00 0.06 0.00 0.00 58.65 58.20 1uke h GLN 46 Cb 1.39 0.00 0.13 0.00 0.30 0.00 0.00 27.48 29.30 1uke h GLN 46 CO 0.15 0.78 0.29 -1.12 -0.67 0.00 0.00 178.83 178.26 1uke s SER 47 N -6.57 3.51 1.02 1.46 0.01 -0.97 -5.09 113.70 107.07 1uke s SER 47 Ca 0.02 1.02 -0.15 0.00 1.31 0.00 0.00 55.95 58.15 1uke s SER 47 Cb 0.09 -1.62 0.20 0.00 0.21 0.00 0.00 66.02 64.90 1uke s SER 47 CO 0.79 -2.56 1.14 -0.83 0.41 0.00 0.00 173.24 172.20 1uke s GLY 48 N -3.96 1.60 0.00 3.44 0.00 -1.26 -4.85 107.32 102.28 1uke s GLY 48 Ca 0.64 -0.69 0.00 0.00 0.00 0.00 0.00 44.72 44.67 1uke s GLY 48 CO 0.54 -0.00 0.00 -1.14 0.00 0.00 0.00 173.10 172.49 1uke n SER 49 N -4.13 0.00 0.00 1.64 3.41 -1.26 -4.81 113.62 108.47 1uke n SER 49 Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 1uke n SER 49 Cb 0.59 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 1uke n SER 49 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1uke n LYS 50 N -0.26 -0.47 -0.04 4.33 2.85 -1.26 -4.73 118.16 118.59 1uke n LYS 50 Ca 0.00 0.12 -0.00 0.00 -1.05 0.00 0.00 58.31 57.38 1uke n LYS 50 Cb 0.00 -3.58 -0.10 0.00 -0.65 0.00 0.00 35.03 30.70 1uke n LYS 50 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1uke n ASP 51 N -0.23 1.90 -4.61 -5.58 8.00 -1.26 -4.90 116.55 109.86 1uke n ASP 51 Ca 0.00 0.00 -0.34 0.00 0.71 0.00 0.00 54.79 55.16 1uke n ASP 51 Cb 0.12 1.19 0.11 0.00 -0.02 0.00 0.00 41.12 42.51 1uke n ASP 51 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1uke n GLY 52 N 1.99 -0.52 3.92 0.44 0.00 -1.26 -0.83 105.19 108.92 1uke n GLY 52 Ca -0.12 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.45 1uke n GLY 52 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1uke n GLU 53 N -2.34 0.00 -0.10 1.61 4.71 -1.26 -4.29 120.64 118.97 1uke n GLU 53 Ca 0.12 0.00 -0.08 0.00 -0.01 0.00 0.00 57.16 57.19 1uke n GLU 53 Cb 0.50 0.00 0.07 0.00 -1.01 0.00 0.00 31.44 31.00 1uke n GLU 53 CO 0.00 0.00 0.00 1.98 0.09 0.00 0.00 177.13 179.20 1uke h MET 54 N 0.00 0.81 -0.20 3.49 1.85 -1.83 -2.72 114.93 116.34 1uke h MET 54 Ca 0.00 -0.34 -0.20 0.00 -0.61 0.00 0.00 59.70 58.55 1uke h MET 54 Cb 0.00 -0.03 0.00 0.00 0.43 0.00 0.00 31.60 32.00 1uke h MET 54 CO 0.00 0.96 -0.68 0.82 -0.40 0.00 0.00 176.91 177.61 1uke h ILE 55 N 0.70 1.29 -0.63 1.77 2.04 -1.17 -2.61 117.51 118.90 1uke h ILE 55 Ca 0.09 -1.89 0.03 0.00 1.00 0.00 0.00 64.86 64.09 1uke h ILE 55 Cb 0.76 1.86 -0.04 0.00 -0.74 0.00 0.00 36.82 38.66 1uke h ILE 55 CO 0.06 0.60 0.38 0.00 0.00 0.00 0.00 178.15 179.20 1uke h ALA 56 N 0.66 0.82 0.14 1.87 0.00 -1.81 -1.52 119.26 119.41 1uke h ALA 56 Ca -0.02 -0.02 -0.30 0.00 0.00 0.00 0.00 54.91 54.57 1uke h ALA 56 Cb 1.30 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1uke h ALA 56 CO 0.14 0.13 -1.49 1.79 0.00 0.00 0.00 179.25 179.82 1uke h THR 57 N 0.75 1.02 -0.47 0.00 1.35 -1.52 -2.65 112.91 111.39 1uke h THR 57 Ca 0.25 -2.44 0.06 0.00 -0.55 0.00 0.00 66.41 63.74 1uke h THR 57 Cb 0.03 2.74 -0.05 0.00 -1.73 0.00 0.00 68.15 69.14 1uke h THR 57 CO -0.11 0.75 0.18 0.24 -0.25 0.00 0.00 175.52 176.33 1uke h MET 58 N -0.19 0.35 -0.91 4.72 2.07 -1.50 -1.55 114.93 117.93 1uke h MET 58 Ca -0.31 -0.02 0.07 0.00 -2.07 0.00 0.00 59.70 57.37 1uke h MET 58 Cb 1.85 -0.08 -0.06 0.00 -1.87 0.00 0.00 31.60 31.44 1uke h MET 58 CO 0.10 0.23 0.59 0.82 1.07 0.00 0.00 176.91 179.72 1uke h ILE 59 N 0.37 1.06 0.00 -1.22 2.04 -1.31 -0.17 117.51 118.27 1uke h ILE 59 Ca 0.22 -0.35 -0.12 0.00 1.00 0.00 0.00 64.86 65.61 1uke h ILE 59 Cb 0.21 -0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.21 1uke h ILE 59 CO -0.21 0.19 -0.57 0.11 0.00 0.00 0.00 178.15 177.67 1uke h LYS 60 N 1.03 0.00 -0.01 2.37 1.79 -0.93 -2.69 116.57 118.13 1uke h LYS 60 Ca 0.40 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.87 1uke h LYS 60 Cb 0.21 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.86 1uke h LYS 60 CO -0.15 0.57 -0.31 0.09 -1.08 0.00 0.00 179.45 178.56 1uke n ASN 61 N -3.51 1.09 0.00 0.86 3.02 -0.70 -4.84 115.26 111.17 1uke n ASN 61 Ca -0.00 -0.91 0.00 0.00 -0.03 0.00 0.00 54.58 53.64 1uke n ASN 61 Cb 0.65 0.20 0.00 0.00 -0.61 0.00 0.00 39.78 40.02 1uke n ASN 61 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1uke n GLY 62 N 1.36 0.71 3.92 7.41 0.00 -0.65 -4.77 105.19 113.18 1uke n GLY 62 Ca 0.11 -0.35 -0.26 0.00 0.00 0.00 0.00 46.02 45.51 1uke n GLY 62 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1uke s GLU 63 N -0.82 3.02 -0.33 1.61 2.02 -0.17 -4.64 118.70 119.38 1uke s GLU 63 Ca 0.00 -0.04 -0.10 0.00 0.02 0.00 0.00 54.97 54.85 1uke s GLU 63 Cb 0.00 -2.32 0.00 0.00 0.10 0.00 0.00 34.13 31.91 1uke s GLU 63 CO 0.00 -0.58 0.17 0.42 0.02 0.00 0.00 175.26 175.28 1uke s ILE 64 N -2.90 4.58 0.31 -1.63 1.01 -1.26 -4.41 121.20 116.89 1uke s ILE 64 Ca 0.52 -0.55 -0.29 0.00 0.00 0.00 0.00 60.65 60.33 1uke s ILE 64 Cb -0.10 -3.40 -0.13 0.00 0.01 0.00 0.00 42.46 38.84 1uke s ILE 64 CO 0.44 -0.02 1.34 0.52 0.00 0.00 0.00 174.94 177.22 1uke n VAL 65 N 4.98 1.63 -1.60 2.92 0.31 -1.26 -4.95 118.33 120.36 1uke n VAL 65 Ca -0.13 -0.41 -0.43 0.00 -0.01 0.00 0.00 64.34 63.36 1uke n VAL 65 Cb 0.48 -1.56 -0.00 0.00 -0.91 0.00 0.00 33.84 31.84 1uke n VAL 65 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1uke n PRO 66 N 1.09 1.35 0.27 5.55 -0.04 -1.26 -4.84 135.00 137.12 1uke n PRO 66 Ca 0.07 0.48 0.14 0.00 -0.04 0.00 0.00 63.50 64.15 1uke n PRO 66 Cb 0.35 -1.93 0.74 0.00 -0.04 0.00 0.00 33.50 32.61 1uke n PRO 66 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1uke h SER 67 N 1.76 0.00 -0.10 3.54 4.64 -1.92 -1.34 113.55 120.12 1uke h SER 67 Ca -0.42 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 60.93 1uke h SER 67 Cb 1.34 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.43 1uke h SER 67 CO 0.58 0.11 0.09 -0.29 -0.87 0.00 0.00 176.83 176.45 1uke h ILE 68 N 0.00 0.74 0.00 0.95 2.10 -1.97 0.11 117.51 119.44 1uke h ILE 68 Ca -0.00 0.00 -0.02 0.00 1.08 0.00 0.00 64.86 65.92 1uke h ILE 68 Cb 0.37 0.93 -0.00 0.00 -1.09 0.00 0.00 36.82 37.03 1uke h ILE 68 CO 0.01 0.00 -0.12 0.58 -1.08 0.00 0.00 178.15 177.55 1uke h VAL 69 N 0.00 0.88 -0.26 2.19 2.07 -1.61 -3.36 116.25 116.17 1uke h VAL 69 Ca 0.05 -1.70 -0.17 0.00 0.82 0.00 0.00 66.70 65.70 1uke h VAL 69 Cb 0.23 1.70 -0.00 0.00 -1.52 0.00 0.00 31.29 31.70 1uke h VAL 69 CO -0.00 0.30 -0.53 0.74 0.02 0.00 0.00 177.57 178.10 1uke h THR 70 N -1.00 1.29 0.00 2.57 2.02 -1.45 -2.34 112.91 114.00 1uke h THR 70 Ca -0.02 -1.74 -0.08 0.00 0.77 0.00 0.00 66.41 65.33 1uke h THR 70 Cb 0.58 1.66 -0.01 0.00 -1.74 0.00 0.00 68.15 68.63 1uke h THR 70 CO -0.01 0.56 -0.40 0.58 0.37 0.00 0.00 175.52 176.62 1uke h VAL 71 N 0.58 0.98 -0.23 3.16 2.07 -1.02 -1.48 116.25 120.30 1uke h VAL 71 Ca 0.02 -1.53 -0.06 0.00 0.82 0.00 0.00 66.70 65.95 1uke h VAL 71 Cb 1.11 1.91 -0.01 0.00 -1.52 0.00 0.00 31.29 32.78 1uke h VAL 71 CO 0.11 0.39 -0.08 0.11 0.02 0.00 0.00 177.57 178.12 1uke h LYS 72 N 0.00 0.46 -0.78 1.57 6.56 -1.59 -1.07 116.57 121.72 1uke h LYS 72 Ca -0.00 -0.19 -0.01 0.00 -1.06 0.00 0.00 60.65 59.39 1uke h LYS 72 Cb 0.88 -0.02 -0.04 0.00 -0.57 0.00 0.00 32.23 32.48 1uke h LYS 72 CO 0.05 0.71 0.45 -0.07 -2.06 0.00 0.00 179.45 178.52 1uke h LEU 73 N 0.19 0.96 -0.08 2.94 3.38 -0.99 -1.82 115.31 119.89 1uke h LEU 73 Ca 0.06 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 1uke h LEU 73 Cb 0.55 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1uke h LEU 73 CO 0.03 0.76 -0.19 -0.07 0.09 0.00 0.00 178.44 179.05 1uke h LEU 74 N 1.09 0.30 -1.47 1.67 3.38 -1.26 -2.88 115.31 116.15 1uke h LEU 74 Ca 0.28 -0.59 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 1uke h LEU 74 Cb -0.00 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1uke h LEU 74 CO -0.05 0.84 0.21 0.50 0.09 0.00 0.00 178.44 180.03 1uke h LYS 75 N -0.22 0.57 -0.03 1.13 3.64 -1.08 -0.75 116.57 119.83 1uke h LYS 75 Ca -0.00 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1uke h LYS 75 Cb 0.80 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.50 1uke h LYS 75 CO 0.04 0.44 0.01 -0.91 -2.27 0.00 0.00 179.45 176.75 1uke h ASN 76 N 0.58 0.05 -0.84 4.20 2.35 -1.27 0.14 115.58 120.78 1uke h ASN 76 Ca 0.15 -0.26 -0.01 0.00 -0.55 0.00 0.00 56.30 55.63 1uke h ASN 76 Cb 0.04 -0.01 -0.04 0.00 0.05 0.00 0.00 38.32 38.36 1uke h ASN 76 CO -0.02 0.30 0.50 0.00 -1.65 0.00 0.00 177.43 176.55 1uke h ALA 77 N 0.76 1.08 -0.68 -0.83 0.00 -1.36 -1.72 119.26 116.51 1uke h ALA 77 Ca 0.01 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1uke h ALA 77 Cb 0.27 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1uke h ALA 77 CO 0.00 0.55 0.33 0.82 0.00 0.00 0.00 179.25 180.95 1uke h ILE 78 N 1.16 1.23 -0.49 0.00 2.04 -0.93 -2.65 117.51 117.87 1uke h ILE 78 Ca 0.30 -0.63 -0.09 0.00 1.00 0.00 0.00 64.86 65.44 1uke h ILE 78 Cb -0.03 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 36.42 1uke h ILE 78 CO -0.05 0.26 -0.06 0.44 0.00 0.00 0.00 178.15 178.74 1uke h ASP 79 N 0.94 0.84 1.05 1.72 3.32 -0.49 -2.03 116.42 121.77 1uke h ASP 79 Ca 0.23 -0.24 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1uke h ASP 79 Cb 0.11 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.44 1uke h ASP 79 CO -0.03 0.94 0.00 0.00 -1.72 0.00 0.00 179.24 178.43 1uke h ALA 80 N 1.14 1.00 -2.28 3.45 0.00 -1.09 -3.33 119.26 118.15 1uke h ALA 80 Ca 0.14 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.46 1uke h ALA 80 Cb 0.56 0.00 -0.42 0.00 0.00 0.00 0.00 17.79 17.93 1uke h ALA 80 CO 0.03 0.00 -0.63 0.09 0.00 0.00 0.00 179.25 178.74 1uke n ASN 81 N -2.52 4.45 -4.72 0.00 3.02 -0.76 -5.04 115.26 109.70 1uke n ASN 81 Ca 0.03 -3.67 -0.42 0.00 -0.03 0.00 0.00 54.58 50.48 1uke n ASN 81 Cb 0.31 -0.57 -0.03 0.00 -0.61 0.00 0.00 39.78 38.88 1uke n ASN 81 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1uke s GLN 82 N -3.40 4.27 0.00 3.52 -0.21 -1.25 -3.02 119.66 119.56 1uke s GLN 82 Ca 0.48 2.21 0.00 0.00 0.02 0.00 0.00 55.36 58.07 1uke s GLN 82 Cb 0.27 -3.21 0.00 0.00 1.00 0.00 0.00 33.01 31.07 1uke s GLN 82 CO -0.13 -0.52 0.00 0.41 -2.12 0.00 0.00 175.29 172.93 1uke n GLY 83 N 3.62 1.52 3.91 3.09 0.00 -1.26 -5.09 105.19 110.98 1uke n GLY 83 Ca 0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 1uke n GLY 83 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uke s LYS 84 N -0.57 3.31 0.24 1.61 -0.14 -1.17 -5.10 119.74 117.92 1uke s LYS 84 Ca 0.00 -0.69 0.01 0.00 -1.36 0.00 0.00 55.97 53.93 1uke s LYS 84 Cb 0.00 -2.88 -0.04 0.00 -1.68 0.00 0.00 37.83 33.24 1uke s LYS 84 CO 0.00 0.50 0.42 -0.80 -0.76 0.00 0.00 175.35 174.71 1uke s ASN 85 N -3.31 6.35 -0.05 2.83 0.01 -1.26 -4.59 114.94 114.92 1uke s ASN 85 Ca 0.34 0.35 0.04 0.00 -0.71 0.00 0.00 52.86 52.87 1uke s ASN 85 Cb -0.10 -1.98 0.00 0.00 0.41 0.00 0.00 41.25 39.57 1uke s ASN 85 CO 0.27 -0.11 -0.16 -0.36 -1.51 0.00 0.00 177.10 175.24 1uke s PHE 86 N -1.99 1.67 -0.53 2.20 0.08 -0.27 -1.17 117.98 117.97 1uke s PHE 86 Ca 0.38 -0.53 -0.17 0.00 0.12 0.00 0.00 56.93 56.73 1uke s PHE 86 Cb -0.10 -1.15 0.10 0.00 -0.57 0.00 0.00 43.02 41.30 1uke s PHE 86 CO 0.31 -0.21 0.53 -0.51 -0.10 0.00 0.00 175.22 175.24 1uke s LEU 87 N 0.22 5.71 -0.36 -0.37 1.43 0.25 -1.88 118.68 123.68 1uke s LEU 87 Ca -0.08 -1.48 -0.15 0.00 -1.03 0.00 0.00 54.13 51.39 1uke s LEU 87 Cb -0.13 -2.25 -0.00 0.00 0.03 0.00 0.00 46.19 43.84 1uke s LEU 87 CO 0.03 -0.86 0.36 0.54 0.23 0.00 0.00 176.35 176.65 1uke s VAL 88 N 1.97 5.17 -0.24 -1.59 0.11 -0.72 -0.56 120.40 124.54 1uke s VAL 88 Ca 0.07 -0.10 -0.08 0.00 -2.93 0.00 0.00 61.98 58.94 1uke s VAL 88 Cb -0.26 -3.86 -0.04 0.00 -1.53 0.00 0.00 36.38 30.70 1uke s VAL 88 CO 0.06 -0.16 0.10 -0.62 -3.33 0.00 0.00 175.10 171.15 1uke s ASP 89 N 1.74 5.49 0.00 3.54 2.15 0.05 -1.39 116.67 128.25 1uke s ASP 89 Ca 0.11 -0.08 0.00 0.00 0.43 0.00 0.00 52.55 53.01 1uke s ASP 89 Cb -0.17 -1.98 0.00 0.00 -0.30 0.00 0.00 42.92 40.47 1uke s ASP 89 CO 0.12 0.02 0.00 0.61 -0.17 0.00 0.00 175.17 175.74 1uke n GLY 90 N 4.59 0.53 3.14 2.66 0.00 -0.04 -1.74 105.19 114.33 1uke n GLY 90 Ca -0.16 -0.85 -0.13 0.00 0.00 0.00 0.00 46.02 44.88 1uke n GLY 90 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1uke s PHE 91 N -2.00 -0.32 0.04 1.61 2.19 -1.26 -4.48 117.98 113.76 1uke s PHE 91 Ca 0.00 0.76 -0.15 0.00 0.33 0.00 0.00 56.93 57.87 1uke s PHE 91 Cb 0.00 0.10 -0.06 0.00 -1.31 0.00 0.00 43.02 41.75 1uke s PHE 91 CO 0.00 -0.17 0.46 -1.25 1.83 0.00 0.00 175.22 176.08 1uke s PRO 92 N 0.45 3.97 0.02 10.12 0.04 -1.26 -4.40 135.00 143.94 1uke s PRO 92 Ca -0.03 0.47 0.23 0.00 0.04 0.00 0.00 61.00 61.72 1uke s PRO 92 Cb -0.04 -3.18 0.19 0.00 0.04 0.00 0.00 34.50 31.51 1uke s PRO 92 CO -0.02 0.65 1.17 -2.13 0.04 0.00 0.00 177.00 176.71 1uke n ARG 93 N 1.62 0.10 -3.94 4.56 3.00 -1.26 -4.91 116.66 115.83 1uke n ARG 93 Ca -0.12 0.00 -0.10 0.00 -0.00 0.00 0.00 57.85 57.63 1uke n ARG 93 Cb 0.52 -1.53 -0.11 0.00 0.00 0.00 0.00 32.46 31.34 1uke n ARG 93 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.63 178.84 1uke s ASN 94 N -3.32 0.16 0.22 6.15 3.04 -1.26 -3.13 114.94 116.80 1uke s ASN 94 Ca 0.08 -0.39 -0.07 0.00 0.04 0.00 0.00 52.86 52.52 1uke s ASN 94 Cb 0.16 0.14 0.18 0.00 -1.54 0.00 0.00 41.25 40.19 1uke s ASN 94 CO 0.77 -0.32 1.74 -0.08 -3.04 0.00 0.00 177.10 176.17 1uke h GLU 95 N 4.53 1.06 -0.44 0.43 4.81 -1.91 -1.56 114.58 121.50 1uke h GLU 95 Ca -0.31 -0.26 -0.10 0.00 -0.13 0.00 0.00 59.36 58.56 1uke h GLU 95 Cb 1.20 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 30.43 1uke h GLU 95 CO 0.41 0.95 -0.13 1.05 -0.73 0.00 0.00 179.01 180.56 1uke h GLU 96 N 1.01 0.82 -0.64 1.92 -0.00 -1.99 -1.13 114.58 114.57 1uke h GLU 96 Ca 0.21 -0.29 -0.03 0.00 -0.00 0.00 0.00 59.36 59.25 1uke h GLU 96 Cb 0.38 -0.06 -0.03 0.00 -0.00 0.00 0.00 28.75 29.04 1uke h GLU 96 CO 0.00 0.91 0.28 -0.91 -0.00 0.00 0.00 179.01 179.30 1uke h ASN 97 N 0.74 0.86 -0.35 3.06 -0.26 -1.89 -2.40 115.58 115.34 1uke h ASN 97 Ca 0.12 -0.15 -0.06 0.00 -0.56 0.00 0.00 56.30 55.65 1uke h ASN 97 Cb 0.64 -0.22 -0.01 0.00 -1.06 0.00 0.00 38.32 37.66 1uke h ASN 97 CO 0.04 0.77 -0.00 -1.13 -1.06 0.00 0.00 177.43 176.05 1uke h ASN 98 N 0.89 0.60 -0.98 5.81 -1.24 -1.02 -0.61 115.58 119.03 1uke h ASN 98 Ca 0.22 -0.31 0.02 0.00 0.71 0.00 0.00 56.30 56.94 1uke h ASN 98 Cb 0.16 -0.16 -0.05 0.00 0.73 0.00 0.00 38.32 39.00 1uke h ASN 98 CO -0.02 0.76 0.65 0.78 -1.29 0.00 0.00 177.43 178.31 1uke h ASN 99 N 0.42 1.11 -0.51 1.15 -0.26 -1.23 -0.69 115.58 115.57 1uke h ASN 99 Ca 0.10 -0.02 -0.04 0.00 -0.56 0.00 0.00 56.30 55.77 1uke h ASN 99 Cb 0.46 -0.27 -0.02 0.00 -1.06 0.00 0.00 38.32 37.43 1uke h ASN 99 CO 0.02 0.79 0.15 -1.28 -1.06 0.00 0.00 177.43 176.05 1uke h SER 100 N 1.30 0.76 -0.22 5.81 0.87 -1.14 -1.15 113.55 119.78 1uke h SER 100 Ca 0.37 -0.21 0.05 0.00 -1.23 0.00 0.00 61.79 60.77 1uke h SER 100 Cb -0.10 -0.20 -0.05 0.00 -0.44 0.00 0.00 62.40 61.61 1uke h SER 100 CO -0.09 0.77 -0.10 -0.25 -0.53 0.00 0.00 176.83 176.63 1uke h TRP 101 N 0.71 -0.23 0.00 2.24 2.91 -0.73 -0.87 115.95 119.98 1uke h TRP 101 Ca 0.16 0.02 -0.00 0.00 1.13 0.00 0.00 58.89 60.21 1uke h TRP 101 Cb 0.29 0.14 -0.00 0.00 -0.51 0.00 0.00 29.16 29.08 1uke h TRP 101 CO 0.02 -0.15 -0.00 0.93 -1.03 0.00 0.00 178.44 178.20 1uke h GLU 102 N -0.07 0.00 0.00 2.65 5.08 -0.70 0.05 114.58 121.59 1uke h GLU 102 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1uke h GLU 102 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1uke h GLU 102 CO -0.26 0.00 -1.93 -0.85 -1.00 0.00 0.00 179.01 174.97 1uke n GLU 103 N -3.10 0.62 -0.00 2.33 0.28 -0.47 -4.09 120.64 116.21 1uke n GLU 103 Ca 0.00 -0.19 0.08 0.00 -0.16 0.00 0.00 57.16 56.90 1uke n GLU 103 Cb 0.29 -1.51 -0.11 0.00 1.43 0.00 0.00 31.44 31.54 1uke n GLU 103 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1uke n ASN 104 N -2.20 1.13 0.00 -1.84 3.02 -0.37 -4.72 115.26 110.27 1uke n ASN 104 Ca -0.04 -0.30 0.00 0.00 -0.03 0.00 0.00 54.58 54.21 1uke n ASN 104 Cb 0.55 1.48 0.00 0.00 -0.61 0.00 0.00 39.78 41.19 1uke n ASN 104 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1uke n MET 105 N -1.82 3.07 -0.34 3.52 2.81 -0.01 -4.73 117.12 119.63 1uke n MET 105 Ca -0.01 -0.13 0.07 0.00 -1.81 0.00 0.00 57.70 55.82 1uke n MET 105 Cb 0.36 -0.55 0.23 0.00 -0.71 0.00 0.00 33.22 32.54 1uke n MET 105 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 1uke h LYS 106 N 0.00 0.84 0.00 0.03 1.63 -1.71 -1.79 116.57 115.56 1uke h LYS 106 Ca 0.00 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.75 1uke h LYS 106 Cb 0.05 -0.19 0.00 0.00 -0.60 0.00 0.00 32.23 31.49 1uke h LYS 106 CO 0.00 0.56 0.00 -0.44 -3.45 0.00 0.00 179.45 176.12 1uke h ASP 107 N 0.86 0.00 0.00 4.20 3.32 -1.91 -3.36 116.42 119.53 1uke h ASP 107 Ca 0.48 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 57.16 1uke h ASP 107 Cb 0.54 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.03 1uke h ASP 107 CO -0.29 0.00 -2.29 0.33 -1.72 0.00 0.00 179.24 175.26 1uke n PHE 108 N -2.36 0.00 -4.37 4.55 7.35 -0.74 -5.02 117.46 116.87 1uke n PHE 108 Ca 0.03 0.00 -0.19 0.00 -0.76 0.00 0.00 57.45 56.53 1uke n PHE 108 Cb 0.29 -0.84 -0.10 0.00 0.35 0.00 0.00 39.48 39.18 1uke n PHE 108 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 1uke s VAL 109 N -2.43 1.56 -0.24 -2.13 -7.23 -0.81 -4.21 120.40 104.91 1uke s VAL 109 Ca -0.32 -2.14 -0.02 0.00 -1.81 0.00 0.00 61.98 57.69 1uke s VAL 109 Cb 0.11 -2.25 0.02 0.00 0.56 0.00 0.00 36.38 34.81 1uke s VAL 109 CO 0.44 -0.44 -0.05 1.51 -0.31 0.00 0.00 175.10 176.26 1uke s ASP 110 N -3.36 4.32 -0.36 4.85 -4.77 0.21 -4.61 116.67 112.95 1uke s ASP 110 Ca 0.26 -0.75 -0.21 0.00 -3.30 0.00 0.00 52.55 48.55 1uke s ASP 110 Cb 0.02 -1.69 0.01 0.00 -1.09 0.00 0.00 42.92 40.17 1uke s ASP 110 CO 0.09 -0.11 0.66 0.28 0.70 0.00 0.00 175.17 176.80 1uke s THR 111 N 1.37 4.86 -0.10 2.11 -1.32 -1.26 -1.75 115.64 119.55 1uke s THR 111 Ca 0.02 0.61 -0.03 0.00 -1.21 0.00 0.00 61.69 61.08 1uke s THR 111 Cb -0.16 -4.11 -0.01 0.00 -1.51 0.00 0.00 72.50 66.71 1uke s THR 111 CO -0.04 -0.35 -0.06 0.11 -2.21 0.00 0.00 174.62 172.06 1uke h LYS 112 N 8.49 0.00 -3.80 7.08 1.57 -0.95 -3.47 116.57 125.48 1uke h LYS 112 Ca -0.26 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.43 1uke h LYS 112 Cb 1.11 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 33.31 1uke h LYS 112 CO 0.85 0.00 -0.21 -0.59 -0.57 0.00 0.00 179.45 178.93 1uke s PHE 113 N -1.70 0.46 -0.26 -1.35 -0.71 -1.26 -4.97 117.98 108.19 1uke s PHE 113 Ca -0.05 -0.80 -0.14 0.00 -1.04 0.00 0.00 56.93 54.90 1uke s PHE 113 Cb 0.01 0.06 -0.04 0.00 -1.21 0.00 0.00 43.02 41.83 1uke s PHE 113 CO 0.08 -0.90 0.32 0.08 -1.34 0.00 0.00 175.22 173.45 1uke s VAL 114 N -4.03 5.22 -0.37 -2.49 1.01 0.68 -1.91 120.40 118.51 1uke s VAL 114 Ca 0.24 0.46 -0.21 0.00 0.00 0.00 0.00 61.98 62.46 1uke s VAL 114 Cb 0.01 -3.65 0.01 0.00 0.00 0.00 0.00 36.38 32.75 1uke s VAL 114 CO 0.08 0.20 0.69 -0.22 0.00 0.00 0.00 175.10 175.85 1uke s LEU 115 N 1.85 4.24 -0.33 3.92 2.96 0.28 -0.67 118.68 130.93 1uke s LEU 115 Ca 0.13 0.14 -0.07 0.00 -0.22 0.00 0.00 54.13 54.11 1uke s LEU 115 Cb -0.16 -2.87 0.03 0.00 0.50 0.00 0.00 46.19 43.70 1uke s LEU 115 CO 0.10 -0.68 0.10 0.12 -1.32 0.00 0.00 176.35 174.66 1uke s PHE 116 N 2.89 3.23 -0.66 5.38 5.36 0.45 -0.85 117.98 133.77 1uke s PHE 116 Ca 0.27 -1.32 -0.24 0.00 -0.96 0.00 0.00 56.93 54.67 1uke s PHE 116 Cb -0.14 -2.27 0.05 0.00 -0.34 0.00 0.00 43.02 40.32 1uke s PHE 116 CO 0.17 -0.70 1.06 -0.06 -1.46 0.00 0.00 175.22 174.23 1uke s PHE 117 N 1.43 2.57 -0.07 10.12 0.08 -0.77 -1.43 117.98 129.90 1uke s PHE 117 Ca -0.01 -0.30 -0.29 0.00 0.12 0.00 0.00 56.93 56.45 1uke s PHE 117 Cb -0.19 -4.37 -0.02 0.00 -0.57 0.00 0.00 43.02 37.88 1uke s PHE 117 CO 0.03 -1.73 0.97 0.34 -0.10 0.00 0.00 175.22 174.73 1uke s ASP 118 N 3.56 7.26 -0.15 1.36 2.15 -0.82 -4.44 116.67 125.59 1uke s ASP 118 Ca 0.28 1.53 -0.14 0.00 0.43 0.00 0.00 52.55 54.65 1uke s ASP 118 Cb -0.13 -2.55 0.04 0.00 -0.30 0.00 0.00 42.92 39.98 1uke s ASP 118 CO 0.13 -0.37 0.41 0.00 -0.17 0.00 0.00 175.17 175.17 1uke s PRO 120 N 0.20 3.79 0.42 0.00 0.02 -1.26 -4.92 135.00 133.25 1uke s PRO 120 Ca -0.00 2.14 0.08 0.00 0.02 0.00 0.00 61.00 63.25 1uke s PRO 120 Cb -0.03 -2.63 0.89 0.00 0.02 0.00 0.00 34.50 32.75 1uke s PRO 120 CO 0.01 -0.63 2.04 0.93 -0.33 0.00 0.00 177.00 179.02 1uke h GLU 121 N 2.38 0.44 -0.03 5.54 5.08 -1.99 -1.88 114.58 124.12 1uke h GLU 121 Ca -0.50 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 57.70 1uke h GLU 121 Cb 1.26 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.40 1uke h GLU 121 CO 0.61 0.33 -0.56 1.05 -1.00 0.00 0.00 179.01 179.44 1uke h GLU 122 N 0.45 0.08 0.20 2.33 9.09 -1.99 -1.35 114.58 123.38 1uke h GLU 122 Ca 0.12 -0.05 -0.32 0.00 0.05 0.00 0.00 59.36 59.16 1uke h GLU 122 Cb 0.02 0.01 0.02 0.00 -1.65 0.00 0.00 28.75 27.15 1uke h GLU 122 CO -0.02 0.61 -1.44 -0.39 0.05 0.00 0.00 179.01 177.83 1uke h VAL 123 N 0.06 1.31 -0.40 -1.06 -1.51 -1.75 -2.55 116.25 110.35 1uke h VAL 123 Ca -0.00 -2.81 -0.02 0.00 -1.23 0.00 0.00 66.70 62.64 1uke h VAL 123 Cb 1.00 2.97 -0.02 0.00 -2.13 0.00 0.00 31.29 33.12 1uke h VAL 123 CO 0.08 0.84 0.16 0.24 -1.23 0.00 0.00 177.57 177.66 1uke h MET 124 N 0.12 0.57 -0.08 5.19 2.86 -1.24 -0.33 114.93 122.01 1uke h MET 124 Ca -0.23 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.33 1uke h MET 124 Cb 2.10 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 33.65 1uke h MET 124 CO 0.24 0.47 0.00 1.15 1.06 0.00 0.00 176.91 179.84 1uke h THR 125 N 0.57 1.24 -0.60 2.22 2.02 -1.20 -2.15 112.91 115.00 1uke h THR 125 Ca 0.14 -0.75 -0.03 0.00 0.77 0.00 0.00 66.41 66.54 1uke h THR 125 Cb 0.12 1.60 -0.03 0.00 -1.74 0.00 0.00 68.15 68.10 1uke h THR 125 CO -0.01 0.21 0.26 1.56 0.37 0.00 0.00 175.52 177.90 1uke h GLN 126 N -0.14 0.89 -0.94 6.66 1.08 -0.96 -1.02 115.11 120.68 1uke h GLN 126 Ca 0.02 -0.15 0.07 0.00 -1.45 0.00 0.00 58.65 57.14 1uke h GLN 126 Cb 0.33 -0.15 -0.06 0.00 -0.05 0.00 0.00 27.48 27.54 1uke h GLN 126 CO 0.00 0.75 0.61 0.00 -0.95 0.00 0.00 178.83 179.24 1uke h ARG 127 N 0.83 1.04 0.20 1.46 3.08 -0.97 0.22 114.38 120.24 1uke h ARG 127 Ca 0.20 -0.06 -0.32 0.00 0.07 0.00 0.00 59.98 59.87 1uke h ARG 127 Cb 0.18 -0.23 0.04 0.00 0.08 0.00 0.00 29.97 30.03 1uke h ARG 127 CO -0.02 0.69 -1.38 -0.07 -1.07 0.00 0.00 179.97 178.12 1uke h LEU 128 N 1.07 0.86 -1.24 3.04 4.07 -1.13 -2.34 115.31 119.64 1uke h LEU 128 Ca 0.41 -0.88 -0.07 0.00 0.08 0.00 0.00 57.88 57.42 1uke h LEU 128 Cb 0.21 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 41.66 1uke h LEU 128 CO -0.16 1.67 -0.19 -0.07 -1.08 0.00 0.00 178.44 178.61 1uke h LEU 129 N 0.18 0.28 -0.75 1.67 3.38 -0.62 -1.44 115.31 118.02 1uke h LEU 129 Ca -0.23 -0.07 -0.10 0.00 0.09 0.00 0.00 57.88 57.56 1uke h LEU 129 Cb 2.07 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 42.73 1uke h LEU 129 CO 0.26 0.49 -0.16 0.50 0.09 0.00 0.00 178.44 179.62 1uke h LYS 130 N 0.27 0.78 -0.48 1.13 3.64 -0.98 -2.17 116.57 118.77 1uke h LYS 130 Ca 0.05 -0.28 -0.12 0.00 -1.27 0.00 0.00 60.65 59.02 1uke h LYS 130 Cb 0.49 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 1uke h LYS 130 CO 0.03 0.89 -0.19 -0.09 -2.27 0.00 0.00 179.45 177.83 1uke h ARG 131 N 0.70 0.97 0.00 1.90 2.43 -0.72 -2.95 114.38 116.70 1uke h ARG 131 Ca 0.11 -0.41 -0.03 0.00 -0.81 0.00 0.00 59.98 58.84 1uke h ARG 131 Cb 0.65 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.16 1uke h ARG 131 CO 0.05 1.08 -0.15 0.78 -1.51 0.00 0.00 179.97 180.21 1uke h GLY 132 N 0.82 0.00 2.00 2.80 0.00 -1.33 -1.78 103.07 105.58 1uke h GLY 132 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.44 1uke h GLY 132 CO 0.06 0.00 0.00 -2.21 0.00 0.00 0.00 176.54 174.39 1uke n GLU 133 N -3.17 0.17 -2.40 4.80 2.13 -0.82 0.52 120.64 121.87 1uke n GLU 133 Ca 0.02 0.51 -0.28 0.00 0.66 0.00 0.00 57.16 58.08 1uke n GLU 133 Cb 0.53 -1.91 0.00 0.00 0.27 0.00 0.00 31.44 30.33 1uke n GLU 133 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1uke n SER 134 N -2.25 4.98 -3.37 4.31 7.64 -1.15 -4.99 113.62 118.79 1uke n SER 134 Ca 0.01 -3.73 -0.14 0.00 1.01 0.00 0.00 58.87 56.01 1uke n SER 134 Cb 0.15 -0.51 -0.03 0.00 -1.01 0.00 0.00 64.21 62.81 1uke n SER 134 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1uke n SER 135 N -0.50 0.06 0.00 6.43 3.41 0.18 -4.87 113.62 118.33 1uke n SER 135 Ca 0.41 -0.54 0.00 0.00 -0.26 0.00 0.00 58.87 58.48 1uke n SER 135 Cb 0.64 -0.67 0.00 0.00 -0.26 0.00 0.00 64.21 63.92 1uke n SER 135 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1uke n GLY 136 N -1.63 -2.34 3.94 5.00 0.00 -0.68 -4.97 105.19 104.51 1uke n GLY 136 Ca -0.12 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.65 1uke n GLY 136 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1uke s ARG 137 N -0.50 2.26 -0.01 1.61 0.52 -1.26 -5.02 118.95 116.54 1uke s ARG 137 Ca 0.00 -1.92 0.17 0.00 -0.52 0.00 0.00 55.73 53.46 1uke s ARG 137 Cb 0.00 -2.25 -0.22 0.00 0.52 0.00 0.00 34.95 33.00 1uke s ARG 137 CO 0.00 -0.69 0.54 -1.13 0.02 0.00 0.00 175.30 174.04 1uke n SER 138 N -1.90 0.94 0.07 0.23 3.41 -1.26 -4.19 113.62 110.91 1uke n SER 138 Ca 0.03 -0.45 0.07 0.00 -0.26 0.00 0.00 58.87 58.26 1uke n SER 138 Cb 0.64 1.38 0.34 0.00 -0.26 0.00 0.00 64.21 66.31 1uke n SER 138 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1uke n ASP 139 N -1.74 0.28 -2.66 4.04 2.03 -1.26 -4.15 116.55 113.10 1uke n ASP 139 Ca 0.00 0.59 -0.31 0.00 0.52 0.00 0.00 54.79 55.59 1uke n ASP 139 Cb 0.35 -0.65 -0.03 0.00 -0.72 0.00 0.00 41.12 40.08 1uke n ASP 139 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1uke n ASP 140 N -1.84 6.84 -4.57 1.67 8.00 -1.26 -4.31 116.55 121.08 1uke n ASP 140 Ca 0.01 -3.40 -0.30 0.00 0.71 0.00 0.00 54.79 51.82 1uke n ASP 140 Cb 0.12 -1.19 -0.08 0.00 -0.02 0.00 0.00 41.12 39.95 1uke n ASP 140 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1uke s ASN 141 N -0.09 3.68 0.15 -2.24 2.20 -1.26 -4.61 114.94 112.78 1uke s ASN 141 Ca 0.57 -1.62 0.03 0.00 -0.94 0.00 0.00 52.86 50.90 1uke s ASN 141 Cb 0.39 0.40 -0.06 0.00 -2.00 0.00 0.00 41.25 39.98 1uke s ASN 141 CO -0.28 -0.82 1.34 0.40 -2.94 0.00 0.00 177.10 174.80 1uke h ILE 142 N 1.54 1.54 -0.46 0.54 5.03 -1.96 -1.77 117.51 121.96 1uke h ILE 142 Ca -0.42 -2.82 -0.14 0.00 -0.12 0.00 0.00 64.86 61.37 1uke h ILE 142 Cb 1.29 2.59 -0.01 0.00 -3.03 0.00 0.00 36.82 37.66 1uke h ILE 142 CO 0.70 0.82 -0.26 -0.33 -0.68 0.00 0.00 178.15 178.40 1uke h GLU 143 N 0.07 0.99 -0.13 2.37 3.07 -1.97 -2.10 114.58 116.88 1uke h GLU 143 Ca -0.05 -0.45 -0.12 0.00 -0.50 0.00 0.00 59.36 58.24 1uke h GLU 143 Cb 1.59 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 29.48 1uke h GLU 143 CO 0.14 1.12 -0.40 1.03 -1.40 0.00 0.00 179.01 179.50 1uke h SER 144 N 0.84 0.58 -0.57 1.42 0.87 -1.78 -2.73 113.55 112.19 1uke h SER 144 Ca 0.10 -0.60 0.01 0.00 -1.23 0.00 0.00 61.79 60.07 1uke h SER 144 Cb 0.84 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 62.60 1uke h SER 144 CO 0.07 1.08 0.37 0.40 -0.53 0.00 0.00 176.83 178.22 1uke h ILE 145 N 0.11 1.12 -0.24 2.23 2.04 -1.22 -1.91 117.51 119.65 1uke h ILE 145 Ca -0.01 -0.26 -0.08 0.00 1.00 0.00 0.00 64.86 65.51 1uke h ILE 145 Cb 1.02 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 1uke h ILE 145 CO 0.09 0.14 -0.22 0.11 0.00 0.00 0.00 178.15 178.26 1uke h LYS 146 N 0.75 0.43 -0.56 2.37 1.79 -1.40 -0.68 116.57 119.27 1uke h LYS 146 Ca 0.21 -0.15 -0.09 0.00 -2.18 0.00 0.00 60.65 58.45 1uke h LYS 146 Cb -0.06 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 30.54 1uke h LYS 146 CO -0.06 0.63 -0.01 0.87 -1.08 0.00 0.00 179.45 179.80 1uke h LYS 147 N 0.39 0.99 -0.30 3.15 1.57 -1.21 -2.64 116.57 118.51 1uke h LYS 147 Ca 0.06 -0.32 -0.12 0.00 -1.87 0.00 0.00 60.65 58.41 1uke h LYS 147 Cb 0.60 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 1uke h LYS 147 CO 0.04 0.99 -0.30 0.00 -0.57 0.00 0.00 179.45 179.61 1uke h ARG 148 N 0.87 0.63 -0.45 3.15 3.08 -0.75 -2.46 114.38 118.45 1uke h ARG 148 Ca 0.16 -0.27 0.05 0.00 0.07 0.00 0.00 59.98 59.99 1uke h ARG 148 Cb 0.55 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.53 1uke h ARG 148 CO 0.03 0.86 0.17 0.74 -1.07 0.00 0.00 179.97 180.70 1uke h PHE 149 N 0.54 0.31 -0.60 3.04 0.04 -1.01 -0.88 116.94 118.37 1uke h PHE 149 Ca 0.07 0.02 -0.07 0.00 2.80 0.00 0.00 57.97 60.79 1uke h PHE 149 Cb 0.79 -0.07 -0.02 0.00 2.20 0.00 0.00 35.95 38.84 1uke h PHE 149 CO 0.03 0.12 0.10 -0.97 -0.60 0.00 0.00 178.31 176.99 1uke h ASN 150 N 0.35 0.94 -0.57 2.17 -1.24 -1.35 -0.43 115.58 115.45 1uke h ASN 150 Ca 0.21 -0.26 -0.08 0.00 0.71 0.00 0.00 56.30 56.88 1uke h ASN 150 Cb 0.19 -0.25 -0.02 0.00 0.73 0.00 0.00 38.32 38.97 1uke h ASN 150 CO -0.20 0.96 0.03 0.74 -1.29 0.00 0.00 177.43 177.66 1uke h THR 151 N 0.89 1.26 -0.54 -3.57 2.02 -1.31 0.39 112.91 112.05 1uke h THR 151 Ca 0.18 -1.09 0.02 0.00 0.77 0.00 0.00 66.41 66.30 1uke h THR 151 Cb 0.42 0.84 -0.03 0.00 -1.74 0.00 0.00 68.15 67.64 1uke h THR 151 CO 0.01 0.39 0.33 0.15 0.37 0.00 0.00 175.52 176.77 1uke h PHE 152 N 0.87 0.61 -0.27 3.16 3.57 -1.06 -0.45 116.94 123.37 1uke h PHE 152 Ca 0.16 0.02 -0.18 0.00 3.53 0.00 0.00 57.97 61.50 1uke h PHE 152 Cb 0.51 -0.20 -0.00 0.00 2.79 0.00 0.00 35.95 39.05 1uke h PHE 152 CO 0.04 0.35 -0.55 -0.91 -2.23 0.00 0.00 178.31 175.01 1uke h ASN 153 N 0.65 0.92 0.18 0.41 2.35 -0.66 -0.65 115.58 118.78 1uke h ASN 153 Ca 0.21 -0.49 -0.33 0.00 -0.55 0.00 0.00 56.30 55.14 1uke h ASN 153 Cb 0.01 -0.26 0.01 0.00 0.05 0.00 0.00 38.32 38.13 1uke h ASN 153 CO -0.09 1.28 -1.61 0.58 -1.65 0.00 0.00 177.43 175.94 1uke h VAL 154 N 0.63 1.02 0.00 2.81 2.07 -0.93 -3.39 116.25 118.47 1uke h VAL 154 Ca 0.01 -2.51 -0.29 0.00 0.82 0.00 0.00 66.70 64.73 1uke h VAL 154 Cb 1.15 2.81 -0.05 0.00 -1.52 0.00 0.00 31.29 33.68 1uke h VAL 154 CO 0.12 0.82 -2.07 0.00 0.02 0.00 0.00 177.57 176.46 1uke n GLN 155 N -3.70 0.45 0.05 1.57 6.02 -0.19 -4.67 117.38 116.91 1uke n GLN 155 Ca -0.23 0.13 0.11 0.00 -0.01 0.00 0.00 57.00 57.00 1uke n GLN 155 Cb 1.03 -1.33 -0.03 0.00 1.02 0.00 0.00 30.24 30.94 1uke n GLN 155 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1uke n THR 156 N -3.26 0.31 0.32 5.09 -2.24 -0.55 -3.26 114.28 110.69 1uke n THR 156 Ca -0.34 -0.43 0.21 0.00 -2.27 0.00 0.00 64.05 61.22 1uke n THR 156 Cb 0.83 -0.07 1.04 0.00 -2.10 0.00 0.00 70.33 70.03 1uke n THR 156 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1uke h LYS 157 N 0.00 0.00 0.07 -0.78 1.57 -1.35 -2.12 116.57 113.96 1uke h LYS 157 Ca 0.00 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.52 1uke h LYS 157 Cb 0.90 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.20 1uke h LYS 157 CO 0.00 0.00 -1.23 -0.07 -0.57 0.00 0.00 179.45 177.58 1uke h LEU 158 N 0.00 0.25 -0.76 2.94 -0.00 -1.82 -3.08 115.31 112.84 1uke h LEU 158 Ca 0.00 -0.28 -0.07 0.00 -0.00 0.00 0.00 57.88 57.53 1uke h LEU 158 Cb 0.16 -0.08 -0.03 0.00 -0.00 0.00 0.00 40.66 40.72 1uke h LEU 158 CO 0.00 1.23 0.16 0.58 -0.00 0.00 0.00 178.44 180.40 1uke h VAL 159 N 0.04 1.26 -0.37 1.22 2.07 -1.50 -2.56 116.25 116.42 1uke h VAL 159 Ca -0.12 -0.97 -0.04 0.00 0.82 0.00 0.00 66.70 66.39 1uke h VAL 159 Cb 1.91 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 32.23 1uke h VAL 159 CO 0.16 0.37 0.08 0.40 0.02 0.00 0.00 177.57 178.60 1uke h ILE 160 N 1.04 1.23 -0.16 4.57 2.04 -1.47 -2.29 117.51 122.48 1uke h ILE 160 Ca 0.21 -0.81 0.00 0.00 1.00 0.00 0.00 64.86 65.27 1uke h ILE 160 Cb 0.38 1.05 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 1uke h ILE 160 CO 0.00 0.27 0.00 -0.90 0.00 0.00 0.00 178.15 177.53 1uke n ASP 161 N -4.57 1.92 -0.04 1.72 5.68 -1.17 -1.07 116.55 119.03 1uke n ASP 161 Ca -0.01 -1.72 -0.14 0.00 -0.50 0.00 0.00 54.79 52.42 1uke n ASP 161 Cb 0.21 -0.10 -0.09 0.00 -1.14 0.00 0.00 41.12 40.00 1uke n ASP 161 CO 0.00 0.00 0.00 -0.74 -1.33 0.00 0.00 177.20 175.13 1uke h HIS 162 N 2.64 0.29 0.00 2.11 2.76 -1.21 -2.71 115.15 119.02 1uke h HIS 162 Ca 0.00 -0.11 -0.03 0.00 -2.20 0.00 0.00 60.37 58.03 1uke h HIS 162 Cb 0.57 -0.05 -0.00 0.00 1.55 0.00 0.00 27.41 29.48 1uke h HIS 162 CO 0.10 0.76 -0.14 1.88 -1.30 0.00 0.00 177.93 179.23 1uke h TYR 163 N -0.27 0.00 0.00 5.26 0.05 -0.84 -2.26 116.97 118.91 1uke h TYR 163 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1uke h TYR 163 Cb 0.75 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.49 1uke h TYR 163 CO 0.12 0.14 0.00 -0.97 -1.05 0.00 0.00 178.16 176.40 1uke h ASN 164 N 0.00 0.00 0.21 3.88 -1.24 -1.07 0.13 115.58 117.49 1uke h ASN 164 Ca -0.00 0.00 -0.04 0.00 0.71 0.00 0.00 56.30 56.97 1uke h ASN 164 Cb 0.66 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.70 1uke h ASN 164 CO 0.02 0.00 -0.17 0.11 -1.29 0.00 0.00 177.43 176.10 1uke h LYS 165 N 0.00 0.00 -0.52 6.67 1.57 -1.07 -2.33 116.57 120.89 1uke h LYS 165 Ca 0.00 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.62 1uke h LYS 165 Cb 0.84 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 33.05 1uke h LYS 165 CO 0.00 0.17 0.13 1.19 -0.57 0.00 0.00 179.45 180.37 1uke n PHE 166 N -4.19 1.73 -3.86 -1.35 3.72 -1.13 -4.95 117.46 107.42 1uke n PHE 166 Ca -0.02 -1.22 -0.27 0.00 -0.05 0.00 0.00 57.45 55.88 1uke n PHE 166 Cb 0.24 -0.55 0.02 0.00 -0.94 0.00 0.00 39.48 38.26 1uke n PHE 166 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1uke n ASP 167 N -0.52 -3.39 -0.49 4.37 9.92 -0.88 -4.89 116.55 120.67 1uke n ASP 167 Ca 0.34 -0.81 0.08 0.00 -0.53 0.00 0.00 54.79 53.87 1uke n ASP 167 Cb 1.18 -3.85 0.19 0.00 -0.64 0.00 0.00 41.12 37.99 1uke n ASP 167 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1uke n LYS 168 N -4.54 2.26 -4.38 -1.24 5.02 0.45 -4.94 118.16 110.80 1uke n LYS 168 Ca -0.08 -2.60 -0.33 0.00 -2.02 0.00 0.00 58.31 53.27 1uke n LYS 168 Cb 0.58 -1.62 -0.15 0.00 -0.02 0.00 0.00 35.03 33.82 1uke n LYS 168 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1uke s VAL 169 N -2.61 2.64 -0.25 -0.18 1.01 -1.25 -0.23 120.40 119.51 1uke s VAL 169 Ca 0.34 -0.77 -0.09 0.00 0.00 0.00 0.00 61.98 61.46 1uke s VAL 169 Cb 0.28 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 1uke s VAL 169 CO 0.06 0.51 0.13 -0.54 0.00 0.00 0.00 175.10 175.26 1uke s LYS 170 N 0.99 3.86 -0.23 2.72 -0.14 0.16 -4.96 119.74 122.14 1uke s LYS 170 Ca -0.02 -0.38 -0.09 0.00 -1.36 0.00 0.00 55.97 54.12 1uke s LYS 170 Cb -0.15 -3.47 -0.04 0.00 -1.68 0.00 0.00 37.83 32.49 1uke s LYS 170 CO -0.03 -0.11 0.12 0.42 -0.76 0.00 0.00 175.35 174.99 1uke s ILE 171 N 1.47 5.01 -0.23 2.17 1.01 -1.26 -0.41 121.20 128.96 1uke s ILE 171 Ca 0.06 0.06 0.01 0.00 0.00 0.00 0.00 60.65 60.78 1uke s ILE 171 Cb -0.15 -3.32 0.06 0.00 0.01 0.00 0.00 42.46 39.06 1uke s ILE 171 CO 0.06 0.38 -0.08 -0.63 0.00 0.00 0.00 174.94 174.67 1uke s ILE 172 N 0.97 1.70 0.08 2.92 1.01 -0.51 -4.97 121.20 122.39 1uke s ILE 172 Ca 0.06 -1.28 -0.31 0.00 0.00 0.00 0.00 60.65 59.12 1uke s ILE 172 Cb -0.14 -1.90 -0.09 0.00 0.01 0.00 0.00 42.46 40.35 1uke s ILE 172 CO 0.03 -0.04 1.69 -2.16 0.00 0.00 0.00 174.94 174.46 1uke s PRO 173 N 1.32 4.19 -0.05 2.79 0.04 -1.26 -1.93 135.00 140.10 1uke s PRO 173 Ca -0.06 2.38 0.18 0.00 0.04 0.00 0.00 61.00 63.54 1uke s PRO 173 Cb -0.19 -3.61 0.59 0.00 0.04 0.00 0.00 34.50 31.33 1uke s PRO 173 CO -0.06 -0.76 1.50 0.00 0.04 0.00 0.00 177.00 177.72 1uke n ALA 174 N 5.66 2.60 -1.10 8.56 0.00 0.19 -4.52 120.51 131.91 1uke n ALA 174 Ca 0.16 -1.43 -0.21 0.00 0.00 0.00 0.00 53.44 51.96 1uke n ALA 174 Cb 0.40 -0.82 0.02 0.00 0.00 0.00 0.00 19.45 19.05 1uke n ALA 174 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1uke n ASN 175 N 1.08 6.61 -3.38 0.00 5.15 -1.26 -4.84 115.26 118.62 1uke n ASN 175 Ca 0.22 -3.18 -0.20 0.00 -0.60 0.00 0.00 54.58 50.81 1uke n ASN 175 Cb 0.68 -1.09 -0.06 0.00 -0.53 0.00 0.00 39.78 38.78 1uke n ASN 175 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1uke n ARG 176 N 0.34 0.57 -2.41 1.20 1.74 -1.26 -5.13 116.66 111.71 1uke n ARG 176 Ca 0.38 -2.90 -0.35 0.00 -0.77 0.00 0.00 57.85 54.21 1uke n ARG 176 Cb 0.58 1.74 -0.02 0.00 -1.02 0.00 0.00 32.46 33.74 1uke n ARG 176 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 1uke s ASP 177 N -3.09 6.07 0.32 0.55 -4.77 -1.26 -4.79 116.67 109.70 1uke s ASP 177 Ca 0.21 2.05 0.10 0.00 -3.30 0.00 0.00 52.55 51.61 1uke s ASP 177 Cb 0.01 -2.57 0.89 0.00 -1.09 0.00 0.00 42.92 40.16 1uke s ASP 177 CO 0.15 -0.97 1.72 -0.37 0.70 0.00 0.00 175.17 176.40 1uke h VAL 178 N 1.42 0.51 -0.02 2.11 -1.51 -1.99 -0.59 116.25 116.19 1uke h VAL 178 Ca -0.50 -0.19 -0.16 0.00 -1.23 0.00 0.00 66.70 64.63 1uke h VAL 178 Cb 1.24 -0.08 -0.02 0.00 -2.13 0.00 0.00 31.29 30.30 1uke h VAL 178 CO 0.58 0.10 -0.72 0.78 -1.23 0.00 0.00 177.57 177.08 1uke h ASN 179 N 0.54 0.15 -0.23 4.19 2.35 -1.98 0.11 115.58 120.70 1uke h ASN 179 Ca 0.65 -0.10 -0.06 0.00 -0.55 0.00 0.00 56.30 56.23 1uke h ASN 179 Cb 1.26 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 39.58 1uke h ASN 179 CO -0.49 0.81 -0.10 -0.33 -1.65 0.00 0.00 177.43 175.67 1uke h GLU 180 N 0.08 0.48 -0.55 0.81 5.08 -1.56 -2.10 114.58 116.82 1uke h GLU 180 Ca -0.02 -0.20 -0.10 0.00 -1.00 0.00 0.00 59.36 58.04 1uke h GLU 180 Cb 1.27 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.48 1uke h GLU 180 CO 0.10 0.74 -0.04 0.28 -1.00 0.00 0.00 179.01 179.10 1uke h VAL 181 N 0.20 1.27 0.00 3.13 2.07 -1.06 -3.21 116.25 118.65 1uke h VAL 181 Ca 0.05 -1.17 -0.11 0.00 0.82 0.00 0.00 66.70 66.29 1uke h VAL 181 Cb 0.59 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 1uke h VAL 181 CO 0.03 0.42 -0.54 0.22 0.02 0.00 0.00 177.57 177.72 1uke h TYR 182 N 0.87 0.00 -0.68 1.57 3.20 -0.71 -2.32 116.97 118.90 1uke h TYR 182 Ca 0.15 0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.03 1uke h TYR 182 Cb 0.59 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.82 1uke h TYR 182 CO 0.04 0.54 0.45 -0.97 -1.64 0.00 0.00 178.16 176.58 1uke h ASN 183 N 0.00 0.78 -0.24 -2.11 -0.73 -1.38 0.21 115.58 112.11 1uke h ASN 183 Ca -0.01 -0.02 -0.12 0.00 1.87 0.00 0.00 56.30 58.03 1uke h ASN 183 Cb 0.95 -0.19 -0.00 0.00 0.27 0.00 0.00 38.32 39.35 1uke h ASN 183 CO 0.07 0.56 -0.31 0.44 -0.37 0.00 0.00 177.43 177.82 1uke h ASP 184 N 0.92 0.69 0.01 1.15 3.32 -1.49 -2.32 116.42 118.70 1uke h ASP 184 Ca 0.25 -0.50 0.02 0.00 0.02 0.00 0.00 57.03 56.82 1uke h ASP 184 Cb -0.09 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.24 1uke h ASP 184 CO -0.06 1.05 -0.13 0.58 -1.72 0.00 0.00 179.24 178.96 1uke h VAL 185 N 0.35 0.67 -0.42 -1.35 2.07 -0.85 -1.36 116.25 115.35 1uke h VAL 185 Ca 0.03 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.55 1uke h VAL 185 Cb 0.89 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 1uke h VAL 185 CO 0.07 0.00 0.26 -0.08 0.02 0.00 0.00 177.57 177.84 1uke h GLU 186 N -0.23 0.58 -0.85 1.57 4.81 -0.64 -1.44 114.58 118.38 1uke h GLU 186 Ca 0.04 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 1uke h GLU 186 Cb 0.28 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.50 1uke h GLU 186 CO -0.12 0.43 0.41 -0.91 -0.73 0.00 0.00 179.01 178.09 1uke h ASN 187 N 0.56 1.10 0.46 1.04 2.35 -1.39 0.39 115.58 120.09 1uke h ASN 187 Ca 0.15 -0.13 -0.02 0.00 -0.55 0.00 0.00 56.30 55.76 1uke h ASN 187 Cb -0.00 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 38.08 1uke h ASN 187 CO -0.03 0.92 -0.28 0.25 -1.65 0.00 0.00 177.43 176.65 1uke h LEU 188 N 1.20 -0.69 -1.68 1.61 5.85 -0.76 -1.67 115.31 119.17 1uke h LEU 188 Ca 0.29 0.04 0.07 0.00 0.84 0.00 0.00 57.88 59.12 1uke h LEU 188 Cb 0.11 0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 1uke h LEU 188 CO -0.04 -0.44 0.32 -0.26 -0.34 0.00 0.00 178.44 177.69 1uke h PHE 189 N -0.70 0.39 -0.17 1.25 -1.00 -1.01 -0.24 116.94 115.46 1uke h PHE 189 Ca -0.05 0.01 -0.13 0.00 2.81 0.00 0.00 57.97 60.61 1uke h PHE 189 Cb 0.57 -0.13 -0.01 0.00 3.61 0.00 0.00 35.95 39.99 1uke h PHE 189 CO -0.09 0.21 -0.44 0.87 -1.61 0.00 0.00 178.31 177.24 1uke h LYS 190 N 0.38 0.43 0.00 1.51 1.57 -0.73 -1.10 116.57 118.63 1uke h LYS 190 Ca 0.21 -0.23 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 1uke h LYS 190 Cb 0.35 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 1uke h LYS 190 CO -0.05 0.79 -0.37 0.66 -0.57 0.00 0.00 179.45 179.90 1uke h SER 191 N 0.35 0.00 0.53 0.86 4.64 -0.32 -2.68 113.55 116.93 1uke h SER 191 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1uke h SER 191 Cb 0.92 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 1uke h SER 191 CO 0.08 0.15 0.00 0.23 -0.87 0.00 0.00 176.83 176.42 1uke n MET 192 N -3.04 0.41 -0.44 4.77 2.81 -0.20 -4.90 117.12 116.53 1uke n MET 192 Ca 0.02 0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.93 1uke n MET 192 Cb 0.60 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.61 1uke n MET 192 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1uke n GLY 193 N 1.14 0.73 0.94 3.03 0.00 -1.01 -5.08 105.19 104.95 1uke n GLY 193 Ca 0.14 -0.43 0.12 0.00 0.00 0.00 0.00 46.02 45.84 1uke n GLY 193 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01