#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qlc s LEU 3 N 0.00 4.36 -0.21 3.41 2.96 -1.26 -4.73 118.68 123.21 2qlc s LEU 3 Ca 0.00 2.10 -0.26 0.00 -0.22 0.00 0.00 54.13 55.76 2qlc s LEU 3 Cb 0.00 -3.58 -0.01 0.00 0.50 0.00 0.00 46.19 43.10 2qlc s LEU 3 CO 0.00 -0.54 0.87 -0.75 -1.32 0.00 0.00 176.35 174.61 2qlc s LYS 4 N 1.19 4.25 -0.39 1.98 2.20 -1.26 -0.48 119.74 127.23 2qlc s LYS 4 Ca 0.61 1.05 -0.27 0.00 -0.36 0.00 0.00 55.97 57.00 2qlc s LYS 4 Cb -0.32 -3.61 0.02 0.00 -1.51 0.00 0.00 37.83 32.41 2qlc s LYS 4 CO 0.29 -0.46 1.01 0.08 -0.36 0.00 0.00 175.35 175.91 2qlc s VAL 5 N 2.61 4.47 -0.41 4.02 1.01 -0.00 -4.83 120.40 127.27 2qlc s VAL 5 Ca 0.38 1.29 0.11 0.00 0.00 0.00 0.00 61.98 63.76 2qlc s VAL 5 Cb -0.16 -4.43 -0.13 0.00 0.00 0.00 0.00 36.38 31.67 2qlc s VAL 5 CO 0.09 -0.66 0.42 0.29 0.00 0.00 0.00 175.10 175.24 2qlc n LYS 6 N 7.08 2.75 -3.55 2.72 5.02 -1.26 -4.93 118.16 125.98 2qlc n LYS 6 Ca 0.09 -0.02 -0.11 0.00 -2.02 0.00 0.00 58.31 56.26 2qlc n LYS 6 Cb 0.48 -1.07 -0.02 0.00 -0.02 0.00 0.00 35.03 34.40 2qlc n LYS 6 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2qlc s GLY 7 N -2.30 -0.45 0.57 0.72 0.00 -1.26 -5.03 107.32 99.57 2qlc s GLY 7 Ca 0.02 0.24 0.27 0.00 0.00 0.00 0.00 44.72 45.26 2qlc s GLY 7 CO 0.45 0.07 2.01 0.00 0.00 0.00 0.00 173.10 175.63 2qlc h ALA 8 N 2.02 2.14 -0.35 3.20 0.00 -2.00 -2.74 119.26 121.53 2qlc h ALA 8 Ca -0.30 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.47 2qlc h ALA 8 Cb 1.29 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 2qlc h ALA 8 CO 0.34 -0.52 -0.32 -0.09 0.00 0.00 0.00 179.25 178.66 2qlc h ARG 9 N 0.00 0.77 -0.42 0.00 2.43 -1.99 -2.40 114.38 112.77 2qlc h ARG 9 Ca 0.17 -0.36 0.03 0.00 -0.81 0.00 0.00 59.98 59.02 2qlc h ARG 9 Cb 0.84 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.36 2qlc h ARG 9 CO -0.00 0.98 0.28 -0.44 -1.51 0.00 0.00 179.97 179.28 2qlc h ASP 10 N 0.65 0.38 -0.32 -3.80 3.32 -1.86 0.41 116.42 115.19 2qlc h ASP 10 Ca 0.07 -0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.96 2qlc h ASP 10 Cb 0.85 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 40.31 2qlc h ASP 10 CO 0.07 0.26 -0.41 0.58 -1.72 0.00 0.00 179.24 178.02 2qlc h VAL 11 N 0.44 1.28 -0.29 -1.35 2.07 -1.51 0.85 116.25 117.74 2qlc h VAL 11 Ca 0.17 -1.59 -0.05 0.00 0.82 0.00 0.00 66.70 66.05 2qlc h VAL 11 Cb 0.14 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 2qlc h VAL 11 CO -0.04 0.52 0.00 0.15 0.02 0.00 0.00 177.57 178.22 2qlc h PHE 12 N 0.63 0.56 0.03 1.57 3.57 -1.01 -0.81 116.94 121.47 2qlc h PHE 12 Ca 0.04 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.45 2qlc h PHE 12 Cb 1.01 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 39.60 2qlc h PHE 12 CO 0.07 0.65 -0.03 0.93 -2.23 0.00 0.00 178.31 177.70 2qlc h GLU 13 N 0.31 -0.06 -0.62 1.11 4.39 -0.90 -2.68 114.58 116.12 2qlc h GLU 13 Ca 0.08 0.00 0.09 0.00 0.34 0.00 0.00 59.36 59.87 2qlc h GLU 13 Cb 0.43 0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 29.02 2qlc h GLU 13 CO 0.01 -0.04 0.26 -0.92 -1.16 0.00 0.00 179.01 177.16 2qlc h TYR 14 N -0.07 0.46 0.00 4.33 3.20 -0.64 -2.79 116.97 121.47 2qlc h TYR 14 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 2qlc h TYR 14 Cb 0.07 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.22 2qlc h TYR 14 CO -0.09 0.15 0.00 0.52 -1.64 0.00 0.00 178.16 177.10 2qlc h MET 15 N 0.47 0.00 -6.62 1.82 2.86 -0.94 -3.44 114.93 109.08 2qlc h MET 15 Ca 0.30 0.00 -0.52 0.00 -2.06 0.00 0.00 59.70 57.42 2qlc h MET 15 Cb 0.34 0.00 0.05 0.00 0.06 0.00 0.00 31.60 32.05 2qlc h MET 15 CO -0.27 0.00 1.02 0.15 1.06 0.00 0.00 176.91 178.87 2qlc s LYS 16 N -3.46 4.14 0.00 1.72 1.02 -1.03 -1.52 119.74 120.60 2qlc s LYS 16 Ca 0.03 2.58 0.00 0.00 0.02 0.00 0.00 55.97 58.60 2qlc s LYS 16 Cb 0.09 -3.19 0.00 0.00 -0.52 0.00 0.00 37.83 34.22 2qlc s LYS 16 CO 0.45 -0.76 0.00 0.41 -0.92 0.00 0.00 175.35 174.53 2qlc n GLY 17 N 4.01 0.63 0.57 -3.33 0.00 -1.26 -4.90 105.19 100.91 2qlc n GLY 17 Ca 0.16 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.25 2qlc n GLY 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qlc n ARG 18 N -2.06 1.18 -2.89 1.61 1.74 -0.58 -4.92 116.66 110.75 2qlc n ARG 18 Ca 0.00 -1.44 -0.42 0.00 -0.77 0.00 0.00 57.85 55.22 2qlc n ARG 18 Cb 0.04 -1.27 -0.04 0.00 -1.02 0.00 0.00 32.46 30.17 2qlc n ARG 18 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2qlc s ILE 19 N -1.09 4.70 0.24 0.55 1.01 -1.26 -4.95 121.20 120.40 2qlc s ILE 19 Ca 0.18 1.14 -0.05 0.00 0.00 0.00 0.00 60.65 61.91 2qlc s ILE 19 Cb 0.12 -4.23 0.20 0.00 0.01 0.00 0.00 42.46 38.55 2qlc s ILE 19 CO 0.17 -0.39 1.81 -0.65 0.00 0.00 0.00 174.94 175.87 2qlc h PRO 20 N 8.31 0.74 -2.40 2.79 0.11 -1.96 -3.38 132.00 136.22 2qlc h PRO 20 Ca -0.24 -0.04 -0.27 0.00 0.11 0.00 0.00 66.00 65.56 2qlc h PRO 20 Cb 1.09 -0.17 -0.34 0.00 0.11 0.00 0.00 31.00 31.69 2qlc h PRO 20 CO 0.93 0.49 -0.59 0.34 -0.21 0.00 0.00 178.00 178.96 2qlc s ASP 21 N -5.60 1.04 0.05 -2.05 -1.08 -1.26 -5.04 116.67 102.73 2qlc s ASP 21 Ca -0.12 -0.06 0.20 0.00 -0.52 0.00 0.00 52.55 52.04 2qlc s ASP 21 Cb 0.19 0.58 0.83 0.00 -1.46 0.00 0.00 42.92 43.05 2qlc s ASP 21 CO 0.78 -0.31 1.63 -0.62 0.52 0.00 0.00 175.17 177.16 2qlc n GLU 22 N 5.33 0.04 0.19 4.34 1.02 -1.26 -1.27 120.64 129.03 2qlc n GLU 22 Ca -0.05 0.21 0.14 0.00 -0.02 0.00 0.00 57.16 57.44 2qlc n GLU 22 Cb 0.50 -1.57 0.42 0.00 -0.02 0.00 0.00 31.44 30.76 2qlc n GLU 22 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 2qlc h THR 23 N 0.00 0.00 -2.77 2.62 1.35 -1.96 -3.37 112.91 108.78 2qlc h THR 23 Ca 0.00 -0.60 -0.58 0.00 -0.55 0.00 0.00 66.41 64.68 2qlc h THR 23 Cb 0.35 1.55 -0.08 0.00 -1.73 0.00 0.00 68.15 68.24 2qlc h THR 23 CO 0.00 0.00 -0.60 -0.54 -0.25 0.00 0.00 175.52 174.13 2qlc s LYS 24 N -3.31 2.74 0.01 4.72 3.01 -0.39 -4.75 119.74 121.77 2qlc s LYS 24 Ca 0.06 -0.94 -0.23 0.00 -1.01 0.00 0.00 55.97 53.85 2qlc s LYS 24 Cb 0.09 -2.55 -0.05 0.00 -1.01 0.00 0.00 37.83 34.30 2qlc s LYS 24 CO 0.57 0.48 0.68 -1.21 0.51 0.00 0.00 175.35 176.38 2qlc s GLU 25 N -3.03 4.41 0.09 1.68 2.02 -1.26 -4.69 118.70 117.92 2qlc s GLU 25 Ca 0.30 0.90 0.02 0.00 0.02 0.00 0.00 54.97 56.21 2qlc s GLU 25 Cb -0.10 -3.36 -0.04 0.00 0.10 0.00 0.00 34.13 30.73 2qlc s GLU 25 CO 0.22 0.30 -0.08 -1.01 0.02 0.00 0.00 175.26 174.71 2qlc s HIS 26 N -0.03 0.87 -0.17 1.61 3.76 -1.26 -2.05 115.29 118.03 2qlc s HIS 26 Ca 0.35 -0.77 -0.05 0.00 -0.15 0.00 0.00 55.06 54.45 2qlc s HIS 26 Cb -0.19 -0.50 -0.03 0.00 1.11 0.00 0.00 32.58 32.97 2qlc s HIS 26 CO 0.20 -0.10 -0.01 -1.17 -0.85 0.00 0.00 174.74 172.81 2qlc s LEU 27 N -2.59 3.38 -0.02 0.89 0.20 0.39 -3.15 118.68 117.77 2qlc s LEU 27 Ca 0.06 -0.10 0.05 0.00 0.69 0.00 0.00 54.13 54.83 2qlc s LEU 27 Cb 0.00 -1.83 -0.03 0.00 -0.43 0.00 0.00 46.19 43.90 2qlc s LEU 27 CO -0.03 0.15 -0.17 -0.36 -0.29 0.00 0.00 176.35 175.65 2qlc s PHE 28 N 0.49 2.60 -0.21 5.38 0.08 0.52 -0.04 117.98 126.79 2qlc s PHE 28 Ca -0.02 -0.23 0.02 0.00 0.12 0.00 0.00 56.93 56.82 2qlc s PHE 28 Cb -0.14 -1.57 0.04 0.00 -0.57 0.00 0.00 43.02 40.78 2qlc s PHE 28 CO 0.02 0.16 -0.14 0.08 -0.10 0.00 0.00 175.22 175.24 2qlc s VAL 29 N -0.75 1.98 -0.12 -0.44 1.01 -0.67 -1.26 120.40 120.15 2qlc s VAL 29 Ca 0.12 -1.20 -0.18 0.00 0.00 0.00 0.00 61.98 60.72 2qlc s VAL 29 Cb -0.10 -1.96 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 2qlc s VAL 29 CO 0.01 0.24 0.48 -0.76 0.00 0.00 0.00 175.10 175.06 2qlc s LEU 30 N 1.25 4.28 -0.28 3.92 1.02 0.71 -1.74 118.68 127.84 2qlc s LEU 30 Ca -0.02 0.82 -0.12 0.00 0.02 0.00 0.00 54.13 54.83 2qlc s LEU 30 Cb -0.16 -2.69 -0.04 0.00 0.02 0.00 0.00 46.19 43.31 2qlc s LEU 30 CO -0.09 0.01 0.25 -0.36 0.02 0.00 0.00 176.35 176.17 2qlc s PHE 31 N 0.59 3.23 -0.07 0.29 0.08 -0.25 -1.96 117.98 119.89 2qlc s PHE 31 Ca 0.26 0.18 0.01 0.00 0.12 0.00 0.00 56.93 57.49 2qlc s PHE 31 Cb -0.15 -2.45 -0.03 0.00 -0.57 0.00 0.00 43.02 39.82 2qlc s PHE 31 CO 0.10 -0.20 -0.07 -0.51 -0.10 0.00 0.00 175.22 174.45 2qlc s LEU 32 N 1.85 3.17 0.94 -0.37 1.02 -0.72 -0.42 118.68 124.15 2qlc s LEU 32 Ca 0.09 -0.03 -0.14 0.00 0.02 0.00 0.00 54.13 54.07 2qlc s LEU 32 Cb -0.16 -1.69 0.16 0.00 0.02 0.00 0.00 46.19 44.52 2qlc s LEU 32 CO 0.11 0.35 1.22 -0.94 0.02 0.00 0.00 176.35 177.11 2qlc s SER 33 N -0.76 3.31 0.54 2.29 1.04 -0.04 -1.10 113.70 118.98 2qlc s SER 33 Ca 0.12 0.61 0.20 0.00 0.48 0.00 0.00 55.95 57.35 2qlc s SER 33 Cb -0.11 -0.92 1.42 0.00 0.10 0.00 0.00 66.02 66.51 2qlc s SER 33 CO 0.02 -2.64 2.17 0.00 0.98 0.00 0.00 173.24 173.76 2qlc h THR 34 N -1.57 0.87 0.00 2.02 1.03 -1.90 -0.12 112.91 113.24 2qlc h THR 34 Ca -0.46 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 65.94 2qlc h THR 34 Cb 1.29 0.99 0.00 0.00 -1.07 0.00 0.00 68.15 69.36 2qlc h THR 34 CO 0.50 0.00 0.00 0.29 -0.01 0.00 0.00 175.52 176.30 2qlc n LYS 35 N -4.35 0.80 -2.04 0.00 5.02 -1.26 -4.89 118.16 111.44 2qlc n LYS 35 Ca -0.02 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.15 2qlc n LYS 35 Cb 0.11 -1.36 -0.01 0.00 -0.02 0.00 0.00 35.03 33.74 2qlc n LYS 35 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2qlc n ASN 36 N -0.86 -3.89 -4.79 4.39 3.02 -0.06 -4.86 115.26 108.21 2qlc n ASN 36 Ca 0.14 0.05 -0.38 0.00 -0.03 0.00 0.00 54.58 54.36 2qlc n ASN 36 Cb 0.06 -2.97 -0.06 0.00 -0.61 0.00 0.00 39.78 36.20 2qlc n ASN 36 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2qlc s GLN 37 N -4.26 4.12 -0.27 3.52 -0.21 -1.26 -0.82 119.66 120.48 2qlc s GLN 37 Ca 0.00 0.45 -0.29 0.00 0.02 0.00 0.00 55.36 55.54 2qlc s GLN 37 Cb 0.00 -3.31 -0.02 0.00 1.00 0.00 0.00 33.01 30.68 2qlc s GLN 37 CO 0.00 0.47 1.57 0.42 -2.12 0.00 0.00 175.29 175.63 2qlc s ILE 38 N -0.38 3.75 -0.01 1.08 1.01 0.37 -0.86 121.20 126.15 2qlc s ILE 38 Ca 0.25 0.82 -0.20 0.00 0.00 0.00 0.00 60.65 61.52 2qlc s ILE 38 Cb -0.16 -3.82 -0.26 0.00 0.01 0.00 0.00 42.46 38.22 2qlc s ILE 38 CO 0.12 -0.39 1.03 -0.07 0.00 0.00 0.00 174.94 175.63 2qlc h LEU 39 N 11.95 0.52 -7.25 2.97 3.38 -1.08 -3.39 115.31 122.40 2qlc h LEU 39 Ca -0.32 -0.83 0.27 0.00 0.09 0.00 0.00 57.88 57.09 2qlc h LEU 39 Cb 1.14 -0.16 -0.13 0.00 0.09 0.00 0.00 40.66 41.60 2qlc h LEU 39 CO 1.02 1.30 0.74 -0.13 0.09 0.00 0.00 178.44 181.45 2qlc s ARG 40 N -2.92 0.56 0.06 1.13 0.52 -1.24 -5.04 118.95 112.02 2qlc s ARG 40 Ca -0.13 -0.29 0.03 0.00 -0.52 0.00 0.00 55.73 54.82 2qlc s ARG 40 Cb 0.03 0.20 -0.03 0.00 0.52 0.00 0.00 34.95 35.67 2qlc s ARG 40 CO 0.83 -0.26 -0.10 -3.38 0.02 0.00 0.00 175.30 172.41 2qlc s HIS 41 N -2.64 0.93 -0.12 -0.53 -3.43 -1.26 -1.09 115.29 107.15 2qlc s HIS 41 Ca 0.12 -0.53 -0.06 0.00 -0.80 0.00 0.00 55.06 53.79 2qlc s HIS 41 Cb 0.02 -0.53 -0.04 0.00 -1.43 0.00 0.00 32.58 30.60 2qlc s HIS 41 CO -0.03 -0.03 0.10 -2.00 -2.00 0.00 0.00 174.74 170.78 2qlc s GLU 42 N -1.95 3.45 -0.13 -0.38 2.12 -0.71 -4.96 118.70 116.15 2qlc s GLU 42 Ca -0.04 -0.22 -0.00 0.00 0.36 0.00 0.00 54.97 55.07 2qlc s GLU 42 Cb -0.08 -3.12 -0.02 0.00 0.26 0.00 0.00 34.13 31.17 2qlc s GLU 42 CO 0.01 0.68 -0.11 0.99 -0.54 0.00 0.00 175.26 176.28 2qlc s THR 43 N -0.75 3.24 -0.19 -1.70 2.01 -1.26 -1.67 115.64 115.32 2qlc s THR 43 Ca 0.13 -0.60 -0.00 0.00 0.31 0.00 0.00 61.69 61.53 2qlc s THR 43 Cb -0.12 -2.37 0.05 0.00 0.01 0.00 0.00 72.50 70.08 2qlc s THR 43 CO 0.03 0.53 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.81 2qlc s ILE 44 N 0.21 1.17 -0.01 1.82 1.01 0.94 -5.01 121.20 121.33 2qlc s ILE 44 Ca -0.07 -0.81 -0.30 0.00 0.00 0.00 0.00 60.65 59.47 2qlc s ILE 44 Cb -0.15 -1.42 -0.05 0.00 0.01 0.00 0.00 42.46 40.86 2qlc s ILE 44 CO 0.05 0.01 1.29 0.42 0.00 0.00 0.00 174.94 176.71 2qlc s THR 45 N 1.58 3.97 0.35 2.92 -4.23 -1.26 -0.46 115.64 118.51 2qlc s THR 45 Ca -0.02 1.34 0.09 0.00 -1.18 0.00 0.00 61.69 61.92 2qlc s THR 45 Cb -0.17 -3.86 -0.06 0.00 1.34 0.00 0.00 72.50 69.76 2qlc s THR 45 CO -0.07 0.01 0.01 0.27 -0.54 0.00 0.00 174.62 174.29 2qlc s ILE 46 N 2.14 2.51 0.00 2.99 -4.36 -0.87 -4.94 121.20 118.68 2qlc s ILE 46 Ca 0.60 -1.99 0.00 0.00 -0.26 0.00 0.00 60.65 59.00 2qlc s ILE 46 Cb -0.28 -2.80 0.00 0.00 1.25 0.00 0.00 42.46 40.63 2qlc s ILE 46 CO 0.25 -0.18 0.00 0.61 0.24 0.00 0.00 174.94 175.86 2qlc n GLY 47 N -0.95 0.96 0.28 6.27 0.00 -1.26 -4.74 105.19 105.76 2qlc n GLY 47 Ca -0.04 -0.74 0.18 0.00 0.00 0.00 0.00 46.02 45.41 2qlc n GLY 47 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2qlc h THR 48 N 0.53 0.03 -0.51 2.61 1.35 -2.05 -2.94 112.91 111.94 2qlc h THR 48 Ca 0.00 -0.48 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 2qlc h THR 48 Cb 0.00 1.46 0.00 0.00 -1.73 0.00 0.00 68.15 67.88 2qlc h THR 48 CO 0.00 0.01 0.00 0.18 -0.25 0.00 0.00 175.52 175.46 2qlc n LEU 49 N -3.11 3.63 -0.98 3.87 4.77 -1.26 -4.56 117.00 119.37 2qlc n LEU 49 Ca 0.00 -2.16 0.10 0.00 -0.03 0.00 0.00 56.01 53.92 2qlc n LEU 49 Cb 0.28 -0.39 0.18 0.00 -2.33 0.00 0.00 43.42 41.16 2qlc n LEU 49 CO 0.27 0.82 0.65 0.35 -1.33 0.00 0.00 177.39 178.15 2qlc n THR 50 N 0.87 0.52 -0.32 -5.08 -2.24 -1.11 -4.66 114.28 102.26 2qlc n THR 50 Ca 0.19 -0.76 0.21 0.00 -2.27 0.00 0.00 64.05 61.41 2qlc n THR 50 Cb 0.60 0.94 0.41 0.00 -2.10 0.00 0.00 70.33 70.18 2qlc n THR 50 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qlc h ALA 51 N 3.75 1.64 0.00 6.98 0.00 -1.80 0.34 119.26 130.18 2qlc h ALA 51 Ca 0.00 0.25 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 2qlc h ALA 51 Cb 0.87 0.34 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 2qlc h ALA 51 CO 0.00 -0.64 -0.14 0.66 0.00 0.00 0.00 179.25 179.13 2qlc h SER 52 N 0.15 0.00 1.39 0.00 4.64 -1.98 -2.79 113.55 114.95 2qlc h SER 52 Ca 0.68 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.96 2qlc h SER 52 Cb 1.56 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.64 2qlc h SER 52 CO -0.73 0.14 -0.21 -0.07 -0.87 0.00 0.00 176.83 175.09 2qlc h LEU 53 N 0.00 0.00 -2.21 5.97 4.07 -0.66 -3.24 115.31 119.24 2qlc h LEU 53 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2qlc h LEU 53 Cb 0.65 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.39 2qlc h LEU 53 CO 0.02 0.21 0.00 2.30 -1.08 0.00 0.00 178.44 179.89 2qlc n ILE 54 N -3.23 0.55 -1.73 1.22 -5.35 -1.12 -4.57 119.36 105.14 2qlc n ILE 54 Ca 0.02 -0.78 -0.42 0.00 -0.27 0.00 0.00 62.75 61.30 2qlc n ILE 54 Cb 0.53 0.81 -0.01 0.00 -1.74 0.00 0.00 39.64 39.23 2qlc n ILE 54 CO 0.00 0.00 0.00 1.57 -1.76 0.00 0.00 176.55 176.36 2qlc n HIS 55 N 0.45 2.62 -0.33 4.28 -0.00 -1.07 -4.77 115.22 116.39 2qlc n HIS 55 Ca 0.08 0.41 0.23 0.00 0.46 0.00 0.00 57.72 58.90 2qlc n HIS 55 Cb 0.33 -2.51 0.44 0.00 -0.12 0.00 0.00 29.99 28.13 2qlc n HIS 55 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 2qlc h PRO 56 N 3.67 0.01 -0.34 1.57 0.11 -1.93 0.53 132.00 135.62 2qlc h PRO 56 Ca -0.47 -0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.54 2qlc h PRO 56 Cb 1.25 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.35 2qlc h PRO 56 CO 0.71 0.00 -0.18 0.07 -0.21 0.00 0.00 178.00 178.39 2qlc h ARG 57 N 0.01 0.62 -0.32 1.05 0.11 -1.97 0.16 114.38 114.04 2qlc h ARG 57 Ca 0.72 -0.22 -0.13 0.00 0.10 0.00 0.00 59.98 60.46 2qlc h ARG 57 Cb 1.74 -0.05 -0.01 0.00 1.11 0.00 0.00 29.97 32.76 2qlc h ARG 57 CO -0.85 0.77 -0.29 0.93 0.10 0.00 0.00 179.97 180.62 2qlc h GLU 58 N 0.56 0.76 -0.48 0.08 4.39 -1.24 -0.67 114.58 117.98 2qlc h GLU 58 Ca 0.09 -0.39 -0.07 0.00 0.34 0.00 0.00 59.36 59.33 2qlc h GLU 58 Cb 0.62 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.26 2qlc h GLU 58 CO 0.04 1.02 0.03 0.82 -1.16 0.00 0.00 179.01 179.77 2qlc h ILE 59 N 0.53 1.26 0.00 3.13 2.04 -1.03 -2.53 117.51 120.90 2qlc h ILE 59 Ca 0.05 -1.00 -0.09 0.00 1.00 0.00 0.00 64.86 64.82 2qlc h ILE 59 Cb 0.87 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 2qlc h ILE 59 CO 0.07 0.35 -0.42 -0.26 0.00 0.00 0.00 178.15 177.90 2qlc h PHE 60 N 0.68 0.00 -0.39 1.37 0.04 -0.75 -1.88 116.94 116.01 2qlc h PHE 60 Ca 0.14 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.86 2qlc h PHE 60 Cb 0.46 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.59 2qlc h PHE 60 CO 0.03 0.42 0.03 0.87 -0.60 0.00 0.00 178.31 179.06 2qlc h LYS 61 N 0.00 0.66 -0.18 1.51 1.57 -1.07 0.05 116.57 119.12 2qlc h LYS 61 Ca -0.00 -0.19 0.05 0.00 -1.87 0.00 0.00 60.65 58.63 2qlc h LYS 61 Cb 1.28 -0.07 -0.05 0.00 0.08 0.00 0.00 32.23 33.47 2qlc h LYS 61 CO 0.05 0.73 -0.15 0.00 -0.57 0.00 0.00 179.45 179.52 2qlc h ALA 62 N 0.90 -0.03 -0.24 3.86 0.00 -1.42 0.68 119.26 123.02 2qlc h ALA 62 Ca 0.11 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 2qlc h ALA 62 Cb 0.41 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2qlc h ALA 62 CO 0.01 -0.58 0.14 0.00 0.00 0.00 0.00 179.25 178.82 2qlc h ALA 63 N 0.94 0.30 -0.84 0.00 0.00 -1.30 -1.03 119.26 117.34 2qlc h ALA 63 Ca 0.11 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2qlc h ALA 63 Cb 0.32 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 2qlc h ALA 63 CO -0.27 -0.19 0.52 0.82 0.00 0.00 0.00 179.25 180.13 2qlc h ILE 64 N 0.29 1.23 -0.69 0.00 2.04 -0.84 -1.43 117.51 118.11 2qlc h ILE 64 Ca 0.08 -0.47 -0.05 0.00 1.00 0.00 0.00 64.86 65.42 2qlc h ILE 64 Cb 0.02 0.02 -0.03 0.00 -0.74 0.00 0.00 36.82 36.10 2qlc h ILE 64 CO -0.02 0.23 0.22 -0.09 0.00 0.00 0.00 178.15 178.50 2qlc h ARG 65 N 1.15 1.05 -0.20 2.37 2.43 -0.45 -2.80 114.38 117.93 2qlc h ARG 65 Ca 0.30 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 2qlc h ARG 65 Cb -0.08 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.31 2qlc h ARG 65 CO -0.06 0.89 0.00 0.39 -1.51 0.00 0.00 179.97 179.68 2qlc n GLU 66 N -4.27 1.52 -1.19 0.20 -0.58 -0.43 -4.91 120.64 110.98 2qlc n GLU 66 Ca 0.06 -0.80 -0.07 0.00 -0.42 0.00 0.00 57.16 55.93 2qlc n GLU 66 Cb 0.21 -1.22 -0.03 0.00 -0.57 0.00 0.00 31.44 29.84 2qlc n GLU 66 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 2qlc n SER 67 N 0.12 -4.47 -4.77 1.62 7.64 -0.93 -4.98 113.62 107.85 2qlc n SER 67 Ca 0.09 0.16 -0.41 0.00 1.01 0.00 0.00 58.87 59.73 2qlc n SER 67 Cb 0.20 -2.55 -0.02 0.00 -1.01 0.00 0.00 64.21 60.84 2qlc n SER 67 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2qlc s ALA 68 N -2.02 3.55 -0.10 -0.43 0.00 -0.59 -4.85 121.76 117.31 2qlc s ALA 68 Ca 0.00 1.34 0.20 0.00 0.00 0.00 0.00 51.96 53.51 2qlc s ALA 68 Cb 0.00 -3.53 -0.26 0.00 0.00 0.00 0.00 23.12 19.33 2qlc s ALA 68 CO 0.00 -0.75 0.47 0.72 0.00 0.00 0.00 175.76 176.20 2qlc n HIS 69 N 1.12 0.21 -4.07 0.00 8.25 -0.26 -4.71 115.22 115.76 2qlc n HIS 69 Ca 0.02 0.07 -0.12 0.00 -0.26 0.00 0.00 57.72 57.42 2qlc n HIS 69 Cb 0.41 -0.74 -0.05 0.00 1.12 0.00 0.00 29.99 30.73 2qlc n HIS 69 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2qlc s SER 70 N -4.99 0.46 0.03 0.41 1.04 -1.13 -3.72 113.70 105.80 2qlc s SER 70 Ca -0.07 -1.28 -0.06 0.00 0.48 0.00 0.00 55.95 55.01 2qlc s SER 70 Cb 0.11 0.60 -0.01 0.00 0.10 0.00 0.00 66.02 66.82 2qlc s SER 70 CO 0.87 -1.19 0.11 0.27 0.98 0.00 0.00 173.24 174.28 2qlc s ILE 71 N -3.52 0.12 -0.02 -1.02 -4.36 -0.15 -1.75 121.20 110.50 2qlc s ILE 71 Ca 0.29 -0.99 0.05 0.00 -0.26 0.00 0.00 60.65 59.74 2qlc s ILE 71 Cb 0.00 -0.79 -0.01 0.00 1.25 0.00 0.00 42.46 42.91 2qlc s ILE 71 CO 0.15 -0.54 -0.18 -0.63 0.24 0.00 0.00 174.94 173.97 2qlc s ILE 72 N -2.33 1.46 -0.14 8.37 1.01 -0.83 -0.53 121.20 128.21 2qlc s ILE 72 Ca -0.07 -0.78 -0.06 0.00 0.00 0.00 0.00 60.65 59.74 2qlc s ILE 72 Cb -0.03 -1.23 -0.04 0.00 0.01 0.00 0.00 42.46 41.18 2qlc s ILE 72 CO -0.03 0.42 0.06 -0.22 0.00 0.00 0.00 174.94 175.17 2qlc s LEU 73 N -0.34 3.89 -0.01 2.97 2.96 -0.77 -0.21 118.68 127.18 2qlc s LEU 73 Ca 0.05 0.20 0.04 0.00 -0.22 0.00 0.00 54.13 54.20 2qlc s LEU 73 Cb -0.08 -1.95 -0.01 0.00 0.50 0.00 0.00 46.19 44.65 2qlc s LEU 73 CO -0.00 0.30 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.51 2qlc s VAL 74 N -0.37 1.00 -0.02 1.68 1.01 -0.39 -0.45 120.40 122.87 2qlc s VAL 74 Ca 0.09 -0.53 0.07 0.00 0.00 0.00 0.00 61.98 61.61 2qlc s VAL 74 Cb -0.12 -0.84 -0.02 0.00 0.00 0.00 0.00 36.38 35.40 2qlc s VAL 74 CO 0.02 0.29 -0.22 -1.00 0.00 0.00 0.00 175.10 174.19 2qlc s HIS 75 N -0.22 1.95 0.06 5.22 3.76 -0.96 -0.36 115.29 124.75 2qlc s HIS 75 Ca 0.03 -0.37 -0.09 0.00 -0.15 0.00 0.00 55.06 54.49 2qlc s HIS 75 Cb -0.06 -1.25 -0.05 0.00 1.11 0.00 0.00 32.58 32.33 2qlc s HIS 75 CO -0.00 -0.03 0.36 0.54 -0.85 0.00 0.00 174.74 174.76 2qlc s ASN 76 N -0.52 6.60 -0.37 1.40 4.22 -1.19 -0.97 114.94 124.11 2qlc s ASN 76 Ca 0.08 0.72 -0.05 0.00 -2.14 0.00 0.00 52.86 51.48 2qlc s ASN 76 Cb -0.08 -2.15 0.07 0.00 1.28 0.00 0.00 41.25 40.36 2qlc s ASN 76 CO -0.01 0.19 0.14 -1.00 -2.04 0.00 0.00 177.10 174.38 2qlc s HIS 77 N -1.38 3.36 0.31 1.54 3.76 -0.82 -4.36 115.29 117.70 2qlc s HIS 77 Ca 0.32 -1.82 0.06 0.00 -0.15 0.00 0.00 55.06 53.47 2qlc s HIS 77 Cb -0.14 -2.64 0.72 0.00 1.11 0.00 0.00 32.58 31.63 2qlc s HIS 77 CO 0.18 -0.84 1.80 -1.35 -0.85 0.00 0.00 174.74 173.68 2qlc h PRO 78 N 8.16 0.78 -0.82 8.40 0.11 -1.84 -1.27 132.00 145.52 2qlc h PRO 78 Ca -0.20 -0.05 0.24 0.00 0.11 0.00 0.00 66.00 66.10 2qlc h PRO 78 Cb 1.07 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 31.97 2qlc h PRO 78 CO 0.65 0.51 0.86 0.66 -0.21 0.00 0.00 178.00 180.47 2qlc h SER 79 N 0.80 0.00 0.00 -2.05 4.64 -1.92 -3.45 113.55 111.57 2qlc h SER 79 Ca 0.55 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.87 2qlc h SER 79 Cb 0.81 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.90 2qlc h SER 79 CO -0.33 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.24 2qlc n GLY 80 N -1.63 0.73 3.61 -0.77 0.00 -0.48 -5.02 105.19 101.63 2qlc n GLY 80 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 2qlc n GLY 80 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2qlc s ASP 81 N -2.54 5.17 0.00 1.61 2.15 -1.26 -4.37 116.67 117.43 2qlc s ASP 81 Ca 0.00 0.04 0.15 0.00 0.43 0.00 0.00 52.55 53.18 2qlc s ASP 81 Cb 0.00 -1.67 -0.02 0.00 -0.30 0.00 0.00 42.92 40.93 2qlc s ASP 81 CO 0.00 0.27 0.81 0.55 -0.17 0.00 0.00 175.17 176.63 2qlc n VAL 82 N 2.87 0.00 -1.68 1.11 3.14 -1.26 -4.79 118.33 117.72 2qlc n VAL 82 Ca -0.18 -0.32 -0.44 0.00 -2.96 0.00 0.00 64.34 60.44 2qlc n VAL 82 Cb 0.53 1.16 -0.02 0.00 -1.06 0.00 0.00 33.84 34.45 2qlc n VAL 82 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2qlc n GLN 83 N -0.25 2.10 -2.11 1.45 6.02 -1.26 -4.48 117.38 118.85 2qlc n GLN 83 Ca 0.06 0.74 -0.42 0.00 -0.01 0.00 0.00 57.00 57.37 2qlc n GLN 83 Cb 0.31 -2.38 -0.03 0.00 1.02 0.00 0.00 30.24 29.16 2qlc n GLN 83 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2qlc s PRO 84 N -0.86 4.25 1.16 -1.09 0.04 -1.26 -5.03 135.00 132.21 2qlc s PRO 84 Ca 0.64 2.10 -0.17 0.00 0.04 0.00 0.00 61.00 63.61 2qlc s PRO 84 Cb -0.61 -3.58 0.18 0.00 0.04 0.00 0.00 34.50 30.53 2qlc s PRO 84 CO 0.53 -0.63 0.36 -1.13 0.04 0.00 0.00 177.00 176.17 2qlc n SER 85 N 5.45 -2.30 0.18 6.66 3.41 -1.26 -4.88 113.62 120.89 2qlc n SER 85 Ca 0.14 -0.19 0.10 0.00 -0.26 0.00 0.00 58.87 58.66 2qlc n SER 85 Cb 0.42 -1.04 0.11 0.00 -0.26 0.00 0.00 64.21 63.44 2qlc n SER 85 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2qlc h ASN 86 N -2.38 0.00 -0.77 4.04 -1.07 -1.99 -2.89 115.58 110.53 2qlc h ASN 86 Ca -0.56 0.00 -0.03 0.00 0.07 0.00 0.00 56.30 55.78 2qlc h ASN 86 Cb 1.34 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 37.55 2qlc h ASN 86 CO 0.41 0.08 0.37 0.00 0.07 0.00 0.00 177.43 178.37 2qlc h ALA 87 N 1.92 1.19 -0.50 4.14 0.00 -2.00 -1.09 119.26 122.92 2qlc h ALA 87 Ca -0.01 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 2qlc h ALA 87 Cb 1.07 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 2qlc h ALA 87 CO 0.01 0.62 0.08 -0.44 0.00 0.00 0.00 179.25 179.52 2qlc h ASP 88 N 1.11 0.74 0.10 0.00 3.32 -1.90 -2.90 116.42 116.89 2qlc h ASP 88 Ca 0.27 -0.14 -0.15 0.00 0.02 0.00 0.00 57.03 57.03 2qlc h ASP 88 Cb 0.11 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 2qlc h ASP 88 CO -0.03 0.75 -0.52 0.11 -1.72 0.00 0.00 179.24 177.83 2qlc h LYS 89 N 0.75 0.47 0.03 3.56 1.57 -1.20 -3.10 116.57 118.64 2qlc h LYS 89 Ca 0.16 -0.28 -0.24 0.00 -1.87 0.00 0.00 60.65 58.42 2qlc h LYS 89 Cb 0.34 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.68 2qlc h LYS 89 CO 0.01 0.87 -1.00 -0.56 -0.57 0.00 0.00 179.45 178.20 2qlc h GLN 90 N 0.37 0.40 -0.70 3.15 3.07 -1.12 -3.01 115.11 117.26 2qlc h GLN 90 Ca 0.01 -0.47 -0.05 0.00 0.09 0.00 0.00 58.65 58.23 2qlc h GLN 90 Cb 1.04 0.14 -0.03 0.00 0.08 0.00 0.00 27.48 28.71 2qlc h GLN 90 CO 0.09 1.14 0.24 -0.39 0.09 0.00 0.00 178.83 180.00 2qlc h VAL 91 N 0.21 1.25 -0.18 1.86 -1.51 -1.59 -3.01 116.25 113.28 2qlc h VAL 91 Ca -0.09 -0.83 0.01 0.00 -1.23 0.00 0.00 66.70 64.56 2qlc h VAL 91 Cb 1.66 0.45 -0.01 0.00 -2.13 0.00 0.00 31.29 31.25 2qlc h VAL 91 CO 0.17 0.33 0.09 0.74 -1.23 0.00 0.00 177.57 177.67 2qlc h THR 92 N 1.03 1.00 -0.43 7.19 2.02 -1.45 0.75 112.91 123.01 2qlc h THR 92 Ca 0.23 -0.06 -0.06 0.00 0.77 0.00 0.00 66.41 67.28 2qlc h THR 92 Cb 0.25 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.44 2qlc h THR 92 CO -0.01 0.03 0.03 0.77 0.37 0.00 0.00 175.52 176.71 2qlc h SER 93 N 0.19 0.73 -0.33 4.18 4.64 -1.53 0.22 113.55 121.64 2qlc h SER 93 Ca 0.07 -0.29 -0.02 0.00 -0.47 0.00 0.00 61.79 61.08 2qlc h SER 93 Cb 0.01 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 61.89 2qlc h SER 93 CO -0.05 0.84 0.11 0.40 -0.87 0.00 0.00 176.83 177.26 2qlc h ILE 94 N 0.59 1.20 -0.47 0.95 1.08 -1.38 -2.35 117.51 117.13 2qlc h ILE 94 Ca 0.13 -0.64 -0.09 0.00 -0.39 0.00 0.00 64.86 63.86 2qlc h ILE 94 Cb 0.45 1.00 -0.02 0.00 -3.07 0.00 0.00 36.82 35.18 2qlc h ILE 94 CO 0.02 0.22 -0.06 0.25 -0.69 0.00 0.00 178.15 177.89 2qlc h LEU 95 N 0.39 0.87 -0.20 1.44 5.85 -0.71 -2.15 115.31 120.80 2qlc h LEU 95 Ca 0.11 -0.34 0.05 0.00 0.84 0.00 0.00 57.88 58.54 2qlc h LEU 95 Cb 0.23 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 40.98 2qlc h LEU 95 CO -0.00 1.00 -0.10 0.50 -0.34 0.00 0.00 178.44 179.50 2qlc h LYS 96 N 0.72 -0.07 -0.80 1.25 3.64 -0.90 -1.50 116.57 118.92 2qlc h LYS 96 Ca 0.13 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.52 2qlc h LYS 96 Cb 0.59 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.38 2qlc h LYS 96 CO 0.04 -0.05 0.53 0.87 -2.27 0.00 0.00 179.45 178.56 2qlc h LYS 97 N -0.07 1.04 -0.52 1.90 1.57 -1.24 -1.78 116.57 117.47 2qlc h LYS 97 Ca 0.11 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.74 2qlc h LYS 97 Cb 0.23 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 2qlc h LYS 97 CO -0.25 0.69 -0.00 0.00 -0.57 0.00 0.00 179.45 179.32 2qlc h ALA 98 N 1.30 1.01 -0.89 3.86 0.00 -1.18 -1.87 119.26 121.48 2qlc h ALA 98 Ca 0.29 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2qlc h ALA 98 Cb -0.11 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.43 2qlc h ALA 98 CO -0.07 0.61 0.53 0.78 0.00 0.00 0.00 179.25 181.10 2qlc h GLY 99 N 0.99 1.29 1.05 0.00 0.00 -0.89 -1.65 103.07 103.86 2qlc h GLY 99 Ca 0.15 -0.55 -0.09 0.00 0.00 0.00 0.00 47.33 46.85 2qlc h GLY 99 CO 0.02 0.53 0.03 -0.55 0.00 0.00 0.00 176.54 176.57 2qlc h ASP 100 N 1.23 0.98 -0.71 0.19 3.32 -0.86 0.79 116.42 121.35 2qlc h ASP 100 Ca 0.32 -0.29 0.04 0.00 0.02 0.00 0.00 57.03 57.12 2qlc h ASP 100 Cb -0.04 -0.26 -0.05 0.00 0.22 0.00 0.00 39.33 39.20 2qlc h ASP 100 CO -0.06 1.03 0.43 -0.07 -1.72 0.00 0.00 179.24 178.86 2qlc h LEU 101 N 0.90 0.68 0.00 1.55 3.38 -1.05 -2.51 115.31 118.26 2qlc h LEU 101 Ca 0.17 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.15 2qlc h LEU 101 Cb 0.51 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.13 2qlc h LEU 101 CO 0.02 0.46 -0.36 0.18 0.09 0.00 0.00 178.44 178.83 2qlc n LEU 102 N -4.70 0.45 -3.61 1.67 4.77 -0.65 -4.93 117.00 110.00 2qlc n LEU 102 Ca 0.09 0.23 -0.24 0.00 -0.03 0.00 0.00 56.01 56.05 2qlc n LEU 102 Cb 0.13 -0.30 0.08 0.00 -2.33 0.00 0.00 43.42 40.99 2qlc n LEU 102 CO 0.31 0.02 0.24 0.00 -1.33 0.00 0.00 177.39 176.63 2qlc n GLN 103 N -1.72 -7.82 -3.91 3.23 6.02 0.25 -4.97 117.38 108.47 2qlc n GLN 103 Ca 0.05 0.82 -0.30 0.00 -0.01 0.00 0.00 57.00 57.56 2qlc n GLN 103 Cb 0.37 -5.86 -0.14 0.00 1.02 0.00 0.00 30.24 25.62 2qlc n GLN 103 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2qlc s ILE 104 N -3.32 2.12 0.31 5.09 1.01 0.17 -4.95 121.20 121.64 2qlc s ILE 104 Ca 0.59 -2.71 -0.29 0.00 0.00 0.00 0.00 60.65 58.24 2qlc s ILE 104 Cb -0.26 -2.51 -0.10 0.00 0.01 0.00 0.00 42.46 39.59 2qlc s ILE 104 CO 0.73 -0.75 1.40 -0.70 0.00 0.00 0.00 174.94 175.63 2qlc s GLU 105 N 0.36 4.26 -0.62 2.79 2.12 -1.24 -4.39 118.70 121.98 2qlc s GLU 105 Ca 0.15 2.34 -0.24 0.00 0.36 0.00 0.00 54.97 57.57 2qlc s GLU 105 Cb -0.23 -3.06 0.05 0.00 0.26 0.00 0.00 34.13 31.15 2qlc s GLU 105 CO -0.05 -0.36 1.02 -1.17 -0.54 0.00 0.00 175.26 174.16 2qlc s LEU 106 N -1.30 4.01 0.21 2.70 2.96 -1.26 -0.97 118.68 125.02 2qlc s LEU 106 Ca 0.54 -0.55 0.08 0.00 -0.22 0.00 0.00 54.13 53.98 2qlc s LEU 106 Cb -0.42 -2.67 0.11 0.00 0.50 0.00 0.00 46.19 43.71 2qlc s LEU 106 CO 0.51 -1.41 1.47 -0.07 -1.32 0.00 0.00 176.35 175.53 2qlc h LEU 107 N 11.49 0.02 -7.09 -0.68 3.38 -1.19 -3.47 115.31 117.77 2qlc h LEU 107 Ca -0.27 -0.02 0.17 0.00 0.09 0.00 0.00 57.88 57.85 2qlc h LEU 107 Cb 1.07 -0.01 -0.15 0.00 0.09 0.00 0.00 40.66 41.66 2qlc h LEU 107 CO 1.16 0.79 0.60 -0.62 0.09 0.00 0.00 178.44 180.46 2qlc s ASP 108 N -6.80 -0.26 -0.17 -0.43 -1.08 -1.26 -4.84 116.67 101.83 2qlc s ASP 108 Ca -0.01 -0.06 0.01 0.00 -0.52 0.00 0.00 52.55 51.98 2qlc s ASP 108 Cb 0.11 0.31 0.03 0.00 -1.46 0.00 0.00 42.92 41.92 2qlc s ASP 108 CO 0.79 -0.52 -0.14 -2.28 0.52 0.00 0.00 175.17 173.53 2qlc s HIS 109 N -2.90 2.39 -0.12 -5.34 5.65 -1.26 -1.84 115.29 111.87 2qlc s HIS 109 Ca 0.08 -1.43 0.01 0.00 0.25 0.00 0.00 55.06 53.96 2qlc s HIS 109 Cb -0.01 -1.68 -0.01 0.00 -1.18 0.00 0.00 32.58 29.70 2qlc s HIS 109 CO -0.06 -0.72 -0.16 0.08 -0.65 0.00 0.00 174.74 173.22 2qlc s VAL 110 N 1.41 2.78 -0.21 0.89 1.01 0.40 -1.20 120.40 125.48 2qlc s VAL 110 Ca 0.03 -0.77 -0.15 0.00 0.00 0.00 0.00 61.98 61.10 2qlc s VAL 110 Cb -0.14 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 2qlc s VAL 110 CO -0.10 0.54 0.34 -0.63 0.00 0.00 0.00 175.10 175.25 2qlc s ILE 111 N 0.27 5.24 -0.08 2.22 -1.09 0.04 -2.26 121.20 125.54 2qlc s ILE 111 Ca -0.12 0.59 0.01 0.00 -2.23 0.00 0.00 60.65 58.90 2qlc s ILE 111 Cb -0.16 -3.68 -0.03 0.00 -1.58 0.00 0.00 42.46 37.02 2qlc s ILE 111 CO 0.06 0.28 -0.08 0.68 -1.23 0.00 0.00 174.94 174.65 2qlc s VAL 112 N 1.22 3.60 0.00 2.92 -7.23 -0.14 -1.05 120.40 119.72 2qlc s VAL 112 Ca 0.16 -0.51 0.00 0.00 -1.81 0.00 0.00 61.98 59.82 2qlc s VAL 112 Cb -0.14 -2.48 0.00 0.00 0.56 0.00 0.00 36.38 34.32 2qlc s VAL 112 CO 0.07 0.58 0.00 0.61 -0.31 0.00 0.00 175.10 176.05 2qlc n GLY 113 N 2.42 0.55 0.32 2.32 0.00 -0.33 -1.95 105.19 108.51 2qlc n GLY 113 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2qlc n GLY 113 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2qlc n ASN 114 N 0.00 0.00 -0.25 1.61 3.02 -1.26 -4.54 115.26 113.84 2qlc n ASN 114 Ca 0.00 0.00 0.08 0.00 -0.03 0.00 0.00 54.58 54.63 2qlc n ASN 114 Cb 0.00 -0.20 0.13 0.00 -0.61 0.00 0.00 39.78 39.10 2qlc n ASN 114 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2qlc n ASN 115 N -2.17 1.91 -4.50 6.41 4.13 -1.26 -5.04 115.26 114.75 2qlc n ASN 115 Ca 0.00 -3.04 -0.24 0.00 1.68 0.00 0.00 54.58 52.97 2qlc n ASN 115 Cb 0.00 -0.41 -0.10 0.00 -1.54 0.00 0.00 39.78 37.72 2qlc n ASN 115 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2qlc s ASP 116 N -2.67 3.45 -0.02 6.41 -1.08 -1.26 -5.16 116.67 116.34 2qlc s ASP 116 Ca 0.29 -1.15 -0.10 0.00 -0.52 0.00 0.00 52.55 51.06 2qlc s ASP 116 Cb 0.26 -0.29 0.01 0.00 -1.46 0.00 0.00 42.92 41.44 2qlc s ASP 116 CO 0.01 -0.18 0.22 -1.66 0.52 0.00 0.00 175.17 174.07 2qlc s TRP 117 N -2.69 -0.09 -0.15 -5.34 1.48 -1.26 -1.19 118.94 109.70 2qlc s TRP 117 Ca 0.31 0.14 0.01 0.00 -1.06 0.00 0.00 56.10 55.50 2qlc s TRP 117 Cb 0.01 0.03 0.02 0.00 -1.16 0.00 0.00 33.47 32.36 2qlc s TRP 117 CO 0.15 -0.30 -0.19 0.12 -4.06 0.00 0.00 176.95 172.67 2qlc s PHE 118 N -1.13 2.51 -0.22 1.66 5.36 -0.21 -4.97 117.98 120.97 2qlc s PHE 118 Ca -0.12 -1.36 -0.09 0.00 -0.96 0.00 0.00 56.93 54.39 2qlc s PHE 118 Cb -0.06 -1.75 -0.05 0.00 -0.34 0.00 0.00 43.02 40.82 2qlc s PHE 118 CO 0.02 -0.67 0.13 0.45 -1.46 0.00 0.00 175.22 173.69 2qlc s SER 119 N 1.13 5.93 0.03 6.13 0.15 -1.26 -0.78 113.70 125.02 2qlc s SER 119 Ca -0.01 0.09 -0.28 0.00 0.70 0.00 0.00 55.95 56.45 2qlc s SER 119 Cb -0.14 -2.06 -0.17 0.00 -1.71 0.00 0.00 66.02 61.95 2qlc s SER 119 CO -0.07 0.10 1.31 -0.26 1.20 0.00 0.00 173.24 175.52 2qlc h PHE 120 N 7.28 -0.73 -0.68 3.44 -1.00 -1.53 -3.03 116.94 120.68 2qlc h PHE 120 Ca -0.38 -0.02 0.11 0.00 2.81 0.00 0.00 57.97 60.49 2qlc h PHE 120 Cb 1.17 0.24 -0.12 0.00 3.61 0.00 0.00 35.95 40.85 2qlc h PHE 120 CO 0.63 -0.40 -0.40 -0.09 -1.61 0.00 0.00 178.31 176.44 2qlc h ARG 121 N -1.00 -0.15 -0.11 1.51 2.43 -1.80 -0.81 114.38 114.45 2qlc h ARG 121 Ca -0.08 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 2qlc h ARG 121 Cb 0.66 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.24 2qlc h ARG 121 CO 0.13 -0.10 0.00 -0.40 -1.51 0.00 0.00 179.97 178.09 2qlc n ASP 122 N -5.42 0.91 -0.95 -3.80 5.68 -1.24 -2.15 116.55 109.58 2qlc n ASP 122 Ca 0.04 -1.65 0.08 0.00 -0.50 0.00 0.00 54.79 52.76 2qlc n ASP 122 Cb 0.36 -0.07 0.23 0.00 -1.14 0.00 0.00 41.12 40.50 2qlc n ASP 122 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 2qlc n HIS 123 N -0.15 0.75 -1.02 2.11 8.25 -0.37 -4.99 115.22 119.81 2qlc n HIS 123 Ca 0.13 -0.54 -0.01 0.00 -0.26 0.00 0.00 57.72 57.05 2qlc n HIS 123 Cb 0.20 -0.07 -0.00 0.00 1.12 0.00 0.00 29.99 31.24 2qlc n HIS 123 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2qlc n ALA 124 N 0.79 -0.01 0.97 -1.41 0.00 -0.91 -5.05 120.51 114.90 2qlc n ALA 124 Ca 0.17 0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.74 2qlc n ALA 124 Cb 0.57 -0.32 0.10 0.00 0.00 0.00 0.00 19.45 19.80 2qlc n ALA 124 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78