#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qlc h LEU 3 N 0.00 0.00 -8.83 1.20 3.38 -1.95 -3.44 115.31 105.67 2qlc h LEU 3 Ca 0.00 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.34 2qlc h LEU 3 Cb 0.00 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 40.61 2qlc h LEU 3 CO 0.00 0.00 0.04 -0.75 0.09 0.00 0.00 178.44 177.82 2qlc s LYS 4 N -3.31 3.77 -0.27 1.13 2.20 -1.26 0.47 119.74 122.47 2qlc s LYS 4 Ca 0.06 0.07 -0.23 0.00 -0.36 0.00 0.00 55.97 55.51 2qlc s LYS 4 Cb 0.06 -3.76 -0.01 0.00 -1.51 0.00 0.00 37.83 32.61 2qlc s LYS 4 CO 0.64 -0.60 0.74 0.08 -0.36 0.00 0.00 175.35 175.85 2qlc s VAL 5 N 2.50 4.88 -0.22 4.02 1.01 0.43 -4.90 120.40 128.12 2qlc s VAL 5 Ca 0.22 1.26 0.05 0.00 0.00 0.00 0.00 61.98 63.51 2qlc s VAL 5 Cb -0.15 -4.06 -0.17 0.00 0.00 0.00 0.00 36.38 32.00 2qlc s VAL 5 CO 0.13 -0.10 -0.14 0.29 0.00 0.00 0.00 175.10 175.28 2qlc n LYS 6 N 5.97 0.70 -1.68 2.72 5.02 -1.26 -4.85 118.16 124.78 2qlc n LYS 6 Ca 0.03 0.10 -0.01 0.00 -2.02 0.00 0.00 58.31 56.40 2qlc n LYS 6 Cb 0.48 -1.46 -0.00 0.00 -0.02 0.00 0.00 35.03 34.03 2qlc n LYS 6 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qlc n GLY 7 N 2.27 2.83 0.21 0.72 0.00 -1.26 -5.06 105.19 104.90 2qlc n GLY 7 Ca -0.38 -1.33 0.08 0.00 0.00 0.00 0.00 46.02 44.39 2qlc n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qlc h ALA 8 N 1.58 1.10 -0.89 4.61 0.00 -2.00 -2.70 119.26 120.96 2qlc h ALA 8 Ca -0.03 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2qlc h ALA 8 Cb 0.11 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 2qlc h ALA 8 CO 0.03 0.37 0.57 -0.09 0.00 0.00 0.00 179.25 180.13 2qlc h ARG 9 N 0.00 1.19 -0.17 0.00 2.43 -1.99 -1.07 114.38 114.78 2qlc h ARG 9 Ca -0.00 -0.09 -0.04 0.00 -0.81 0.00 0.00 59.98 59.04 2qlc h ARG 9 Cb 0.73 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 2qlc h ARG 9 CO 0.04 0.81 -0.07 -0.44 -1.51 0.00 0.00 179.97 178.79 2qlc h ASP 10 N 1.22 0.23 -0.19 -3.80 3.32 -1.86 0.21 116.42 115.54 2qlc h ASP 10 Ca 0.32 -0.04 -0.08 0.00 0.02 0.00 0.00 57.03 57.26 2qlc h ASP 10 Cb -0.10 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.39 2qlc h ASP 10 CO -0.07 0.34 -0.18 0.58 -1.72 0.00 0.00 179.24 178.19 2qlc h VAL 11 N 0.24 1.33 0.10 -1.35 2.07 -1.41 -0.68 116.25 116.55 2qlc h VAL 11 Ca 0.05 -1.34 0.01 0.00 0.82 0.00 0.00 66.70 66.24 2qlc h VAL 11 Cb 0.29 1.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.81 2qlc h VAL 11 CO 0.01 0.41 -0.15 0.15 0.02 0.00 0.00 177.57 178.01 2qlc h PHE 12 N 0.13 -0.39 -0.95 1.57 3.57 -0.90 -1.31 116.94 118.67 2qlc h PHE 12 Ca 0.03 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.55 2qlc h PHE 12 Cb 0.72 0.16 -0.05 0.00 2.79 0.00 0.00 35.95 39.58 2qlc h PHE 12 CO 0.08 -0.22 0.63 0.93 -2.23 0.00 0.00 178.31 177.49 2qlc h GLU 13 N -0.30 1.25 -0.70 1.11 4.39 -0.60 -2.71 114.58 117.02 2qlc h GLU 13 Ca 0.02 -0.08 -0.04 0.00 0.34 0.00 0.00 59.36 59.60 2qlc h GLU 13 Cb 0.31 -0.28 -0.03 0.00 -0.10 0.00 0.00 28.75 28.65 2qlc h GLU 13 CO -0.08 0.83 0.27 -0.92 -1.16 0.00 0.00 179.01 177.96 2qlc h TYR 14 N 1.29 1.07 0.00 4.33 3.20 -0.75 -3.09 116.97 123.02 2qlc h TYR 14 Ca 0.35 -0.08 0.00 0.00 3.14 0.00 0.00 58.73 62.13 2qlc h TYR 14 Cb -0.14 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 37.81 2qlc h TYR 14 CO 0.00 0.83 -0.06 -1.33 -1.64 0.00 0.00 178.16 175.96 2qlc n MET 15 N -4.36 0.13 -2.81 1.82 2.81 -0.53 -4.57 117.12 109.61 2qlc n MET 15 Ca 0.05 0.10 -0.41 0.00 -1.81 0.00 0.00 57.70 55.63 2qlc n MET 15 Cb 0.18 -1.65 -0.03 0.00 -0.71 0.00 0.00 33.22 31.01 2qlc n MET 15 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 2qlc s LYS 16 N -3.05 4.47 0.00 0.03 -2.85 -1.05 -1.63 119.74 115.66 2qlc s LYS 16 Ca 0.12 1.23 0.00 0.00 -1.00 0.00 0.00 55.97 56.32 2qlc s LYS 16 Cb 0.16 -3.48 0.00 0.00 -2.06 0.00 0.00 37.83 32.44 2qlc s LYS 16 CO 0.58 -0.10 0.00 0.41 0.10 0.00 0.00 175.35 176.34 2qlc n GLY 17 N 3.05 1.29 0.40 0.59 0.00 -1.26 -4.92 105.19 104.33 2qlc n GLY 17 Ca 0.05 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.00 1.47 -2.46 1.61 1.74 -0.65 -4.95 116.66 111.43 2qlc n ARG 18 Ca 0.00 -1.43 -0.43 0.00 -0.77 0.00 0.00 57.85 55.22 2qlc n ARG 18 Cb 0.00 -1.18 -0.02 0.00 -1.02 0.00 0.00 32.46 30.24 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 -0.83 4.33 0.39 0.55 1.01 -1.23 -4.92 121.20 120.48 2qlc s ILE 19 Ca 0.13 1.62 0.07 0.00 0.00 0.00 0.00 60.65 62.47 2qlc s ILE 19 Cb 0.08 -4.04 0.21 0.00 0.01 0.00 0.00 42.46 38.72 2qlc s ILE 19 CO 0.11 -0.11 1.98 -0.65 0.00 0.00 0.00 174.94 176.26 2qlc h PRO 20 N 7.97 0.46 -2.67 2.79 0.11 -1.96 -3.39 132.00 135.30 2qlc h PRO 20 Ca -0.27 -0.06 -0.43 0.00 0.11 0.00 0.00 66.00 65.35 2qlc h PRO 20 Cb 1.11 -0.09 -0.38 0.00 0.11 0.00 0.00 31.00 31.75 2qlc h PRO 20 CO 0.95 0.41 -0.71 0.34 -0.21 0.00 0.00 178.00 178.78 2qlc s ASP 21 N -6.75 2.40 0.50 -2.05 -1.08 -1.26 -5.03 116.67 103.39 2qlc s ASP 21 Ca -0.07 -0.78 0.32 0.00 -0.52 0.00 0.00 52.55 51.50 2qlc s ASP 21 Cb 0.16 0.01 1.32 0.00 -1.46 0.00 0.00 42.92 42.95 2qlc s ASP 21 CO 0.74 -0.38 1.94 -0.33 0.52 0.00 0.00 175.17 177.66 2qlc h GLU 22 N 8.36 0.00 -0.00 4.34 3.07 -2.01 -0.93 114.58 127.40 2qlc h GLU 22 Ca -0.17 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.69 2qlc h GLU 22 Cb 1.09 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.00 2qlc h GLU 22 CO 0.35 0.00 -0.07 0.25 -1.40 0.00 0.00 179.01 178.14 2qlc n THR 23 N -2.92 0.00 -4.65 1.13 -2.24 -1.26 -4.46 114.28 99.88 2qlc n THR 23 Ca 0.01 -0.08 -0.30 0.00 -2.27 0.00 0.00 64.05 61.41 2qlc n THR 23 Cb 0.29 -0.07 -0.14 0.00 -2.10 0.00 0.00 70.33 68.31 2qlc n THR 23 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2qlc s LYS 24 N -2.31 1.67 0.03 -0.78 1.02 -0.36 -4.84 119.74 114.18 2qlc s LYS 24 Ca 0.34 -1.20 -0.29 0.00 0.02 0.00 0.00 55.97 54.84 2qlc s LYS 24 Cb 0.21 -1.98 -0.04 0.00 -0.52 0.00 0.00 37.83 35.50 2qlc s LYS 24 CO 0.43 0.49 0.95 -2.00 -0.92 0.00 0.00 175.35 174.30 2qlc s GLU 25 N -1.63 4.59 0.14 1.68 2.12 -1.26 -4.62 118.70 119.71 2qlc s GLU 25 Ca 0.13 1.39 0.03 0.00 0.36 0.00 0.00 54.97 56.88 2qlc s GLU 25 Cb -0.10 -3.43 -0.04 0.00 0.26 0.00 0.00 34.13 30.81 2qlc s GLU 25 CO 0.04 0.04 -0.06 -1.01 -0.54 0.00 0.00 175.26 173.73 2qlc s HIS 26 N 0.70 1.12 -0.11 5.30 3.76 -1.24 -1.07 115.29 123.74 2qlc s HIS 26 Ca 0.49 -0.89 -0.01 0.00 -0.15 0.00 0.00 55.06 54.50 2qlc s HIS 26 Cb -0.21 -0.62 0.03 0.00 1.11 0.00 0.00 32.58 32.89 2qlc s HIS 26 CO 0.28 -0.09 -0.04 -1.17 -0.85 0.00 0.00 174.74 172.87 2qlc s LEU 27 N -3.13 1.05 0.20 0.89 2.96 -0.51 -1.72 118.68 118.43 2qlc s LEU 27 Ca 0.17 -0.33 0.08 0.00 -0.22 0.00 0.00 54.13 53.82 2qlc s LEU 27 Cb 0.05 -0.70 -0.04 0.00 0.50 0.00 0.00 46.19 46.00 2qlc s LEU 27 CO -0.00 -0.17 0.02 -0.36 -1.32 0.00 0.00 176.35 174.52 2qlc s PHE 28 N 1.80 2.85 -0.09 5.38 0.08 0.45 0.66 117.98 129.10 2qlc s PHE 28 Ca 0.04 -0.15 0.05 0.00 0.12 0.00 0.00 56.93 56.98 2qlc s PHE 28 Cb -0.13 -1.34 -0.00 0.00 -0.57 0.00 0.00 43.02 40.97 2qlc s PHE 28 CO -0.07 0.54 -0.24 0.08 -0.10 0.00 0.00 175.22 175.43 2qlc s VAL 29 N -1.90 2.04 -0.15 -0.44 1.01 -0.13 -0.68 120.40 120.16 2qlc s VAL 29 Ca 0.29 -1.02 -0.05 0.00 0.00 0.00 0.00 61.98 61.20 2qlc s VAL 29 Cb -0.09 -1.75 -0.03 0.00 0.00 0.00 0.00 36.38 34.51 2qlc s VAL 29 CO 0.20 0.56 0.02 -0.76 0.00 0.00 0.00 175.10 175.11 2qlc s LEU 30 N 0.21 3.61 -0.19 3.92 1.02 0.38 -1.33 118.68 126.29 2qlc s LEU 30 Ca -0.15 0.05 -0.09 0.00 0.02 0.00 0.00 54.13 53.96 2qlc s LEU 30 Cb -0.17 -1.88 -0.05 0.00 0.02 0.00 0.00 46.19 44.12 2qlc s LEU 30 CO 0.07 0.23 0.10 -0.36 0.02 0.00 0.00 176.35 176.42 2qlc s PHE 31 N -0.00 3.36 0.06 0.29 0.08 0.04 -1.80 117.98 120.01 2qlc s PHE 31 Ca 0.04 0.24 0.09 0.00 0.12 0.00 0.00 56.93 57.41 2qlc s PHE 31 Cb -0.13 -2.11 -0.03 0.00 -0.57 0.00 0.00 43.02 40.18 2qlc s PHE 31 CO 0.02 0.27 -0.24 -0.51 -0.10 0.00 0.00 175.22 174.65 2qlc s LEU 32 N 0.27 2.20 0.83 -0.37 1.02 0.22 -0.30 118.68 122.55 2qlc s LEU 32 Ca 0.07 -0.59 -0.11 0.00 0.02 0.00 0.00 54.13 53.51 2qlc s LEU 32 Cb -0.12 -1.12 0.13 0.00 0.02 0.00 0.00 46.19 45.10 2qlc s LEU 32 CO -0.01 0.19 1.17 -0.94 0.02 0.00 0.00 176.35 176.78 2qlc s SER 33 N -1.39 4.05 0.63 2.29 1.04 -0.60 -0.25 113.70 119.47 2qlc s SER 33 Ca 0.10 0.38 0.34 0.00 0.48 0.00 0.00 55.95 57.25 2qlc s SER 33 Cb -0.10 -0.73 1.93 0.00 0.10 0.00 0.00 66.02 67.22 2qlc s SER 33 CO 0.03 -2.13 2.16 0.71 0.98 0.00 0.00 173.24 174.99 2qlc h THR 34 N -1.10 0.21 -0.61 2.02 1.35 -1.92 -0.99 112.91 111.87 2qlc h THR 34 Ca -0.44 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.42 2qlc h THR 34 Cb 1.28 0.86 0.00 0.00 -1.73 0.00 0.00 68.15 68.57 2qlc h THR 34 CO 0.51 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 176.07 2qlc n LYS 35 N -3.36 3.83 -2.07 4.72 5.02 -1.26 -4.95 118.16 120.08 2qlc n LYS 35 Ca -0.01 -2.90 -0.13 0.00 -2.02 0.00 0.00 58.31 53.24 2qlc n LYS 35 Cb 0.24 -1.92 -0.02 0.00 -0.02 0.00 0.00 35.03 33.31 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 0.97 -4.24 -4.72 4.39 5.03 -0.37 -4.79 115.26 111.52 2qlc n ASN 36 Ca 0.25 0.06 -0.40 0.00 0.87 0.00 0.00 54.58 55.36 2qlc n ASN 36 Cb 0.92 -3.32 -0.05 0.00 -1.02 0.00 0.00 39.78 36.32 2qlc n ASN 36 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.26 173.85 2qlc s GLN 37 N -4.35 4.46 -0.14 3.52 2.00 -1.26 -0.43 119.66 123.47 2qlc s GLN 37 Ca 0.00 0.98 -0.29 0.00 -2.00 0.00 0.00 55.36 54.04 2qlc s GLN 37 Cb 0.00 -3.43 -0.03 0.00 0.80 0.00 0.00 33.01 30.35 2qlc s GLN 37 CO 0.00 0.10 1.44 0.42 -0.50 0.00 0.00 175.29 176.75 2qlc s ILE 38 N 0.62 3.97 -0.02 -2.34 1.01 0.18 -1.56 121.20 123.06 2qlc s ILE 38 Ca 0.39 1.17 -0.08 0.00 0.00 0.00 0.00 60.65 62.13 2qlc s ILE 38 Cb -0.19 -3.79 -0.30 0.00 0.01 0.00 0.00 42.46 38.20 2qlc s ILE 38 CO 0.20 -0.14 0.79 -0.07 0.00 0.00 0.00 174.94 175.73 2qlc h LEU 39 N 10.13 0.54 -7.13 2.97 3.38 -0.99 -3.48 115.31 120.72 2qlc h LEU 39 Ca -0.32 -0.75 0.30 0.00 0.09 0.00 0.00 57.88 57.20 2qlc h LEU 39 Cb 1.13 -0.17 -0.15 0.00 0.09 0.00 0.00 40.66 41.56 2qlc h LEU 39 CO 0.97 1.62 0.82 -0.60 0.09 0.00 0.00 178.44 181.35 2qlc s ARG 40 N -2.60 0.36 0.30 1.13 3.52 -1.23 -5.02 118.95 115.41 2qlc s ARG 40 Ca -0.12 -0.17 0.05 0.00 -0.13 0.00 0.00 55.73 55.36 2qlc s ARG 40 Cb 0.06 0.14 -0.03 0.00 -1.56 0.00 0.00 34.95 33.55 2qlc s ARG 40 CO 0.86 -0.16 0.24 -3.38 -0.81 0.00 0.00 175.30 172.06 2qlc s HIS 41 N -2.42 1.63 -0.28 5.12 -3.43 -1.26 -0.78 115.29 113.87 2qlc s HIS 41 Ca 0.12 -1.60 -0.22 0.00 -0.80 0.00 0.00 55.06 52.56 2qlc s HIS 41 Cb 0.02 -0.69 0.10 0.00 -1.43 0.00 0.00 32.58 30.58 2qlc s HIS 41 CO -0.04 -0.81 0.84 -2.00 -2.00 0.00 0.00 174.74 170.73 2qlc s GLU 42 N -3.61 0.65 0.07 -0.38 2.12 -0.44 -4.98 118.70 112.13 2qlc s GLU 42 Ca 0.40 0.88 -0.30 0.00 0.36 0.00 0.00 54.97 56.31 2qlc s GLU 42 Cb 0.03 0.26 -0.05 0.00 0.26 0.00 0.00 34.13 34.63 2qlc s GLU 42 CO 0.24 -0.10 1.06 0.99 -0.54 0.00 0.00 175.26 176.91 2qlc s THR 43 N 0.74 4.39 -0.16 -1.70 2.01 -1.26 -0.96 115.64 118.71 2qlc s THR 43 Ca -0.02 1.82 -0.13 0.00 0.31 0.00 0.00 61.69 63.67 2qlc s THR 43 Cb -0.05 -4.17 -0.07 0.00 0.01 0.00 0.00 72.50 68.23 2qlc s THR 43 CO -0.08 0.20 -0.14 -0.38 -0.69 0.00 0.00 174.62 173.53 2qlc n ILE 44 N 3.42 1.45 -4.06 1.82 5.41 0.21 -4.94 119.36 122.68 2qlc n ILE 44 Ca 0.06 0.14 -0.13 0.00 1.00 0.00 0.00 62.75 63.82 2qlc n ILE 44 Cb 0.49 -2.31 -0.11 0.00 -0.71 0.00 0.00 39.64 36.99 2qlc n ILE 44 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 2qlc s THR 45 N -2.36 0.53 0.05 1.39 -4.23 -1.17 -4.99 115.64 104.86 2qlc s THR 45 Ca -0.20 -1.08 0.04 0.00 -1.18 0.00 0.00 61.69 59.27 2qlc s THR 45 Cb 0.03 -0.60 -0.04 0.00 1.34 0.00 0.00 72.50 73.24 2qlc s THR 45 CO 0.32 -0.39 -0.04 -0.63 -0.54 0.00 0.00 174.62 173.34 2qlc s ILE 46 N -1.39 3.81 0.00 2.99 1.01 -1.26 -1.42 121.20 124.94 2qlc s ILE 46 Ca -0.10 -0.89 0.00 0.00 0.00 0.00 0.00 60.65 59.66 2qlc s ILE 46 Cb -0.10 -2.73 0.00 0.00 0.01 0.00 0.00 42.46 39.64 2qlc s ILE 46 CO 0.00 0.26 0.00 0.61 0.00 0.00 0.00 174.94 175.82 2qlc n GLY 47 N 1.09 -3.29 3.69 6.18 0.00 -0.23 -4.92 105.19 107.70 2qlc n GLY 47 Ca -0.13 -1.98 -0.53 0.00 0.00 0.00 0.00 46.02 43.38 2qlc n GLY 47 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2qlc n THR 48 N -0.14 0.34 -1.98 2.61 -1.04 -1.26 -4.68 114.28 108.13 2qlc n THR 48 Ca 0.00 -0.06 -0.42 0.00 -2.04 0.00 0.00 64.05 61.53 2qlc n THR 48 Cb 0.00 -1.42 -0.03 0.00 -1.82 0.00 0.00 70.33 67.07 2qlc n THR 48 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 2qlc s LEU 49 N 3.22 4.38 -0.06 -4.42 2.96 -1.26 -5.01 118.68 118.48 2qlc s LEU 49 Ca 0.94 2.62 0.01 0.00 -0.22 0.00 0.00 54.13 57.48 2qlc s LEU 49 Cb -0.91 -3.61 0.02 0.00 0.50 0.00 0.00 46.19 42.20 2qlc s LEU 49 CO 0.57 -0.76 -0.07 -0.89 -1.32 0.00 0.00 176.35 173.88 2qlc s THR 50 N 0.66 0.76 0.29 3.68 2.01 -1.26 -4.91 115.64 116.87 2qlc s THR 50 Ca 0.65 -0.23 0.04 0.00 0.31 0.00 0.00 61.69 62.46 2qlc s THR 50 Cb -0.42 -0.76 0.28 0.00 0.01 0.00 0.00 72.50 71.61 2qlc s THR 50 CO 0.36 0.28 1.73 0.00 -0.69 0.00 0.00 174.62 176.31 2qlc h ALA 51 N 7.32 1.51 0.00 7.40 0.00 -1.95 -2.27 119.26 131.27 2qlc h ALA 51 Ca -0.33 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2qlc h ALA 51 Cb 1.16 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2qlc h ALA 51 CO 0.45 -0.21 0.00 -1.13 0.00 0.00 0.00 179.25 178.36 2qlc n SER 52 N -4.91 0.29 -0.90 0.00 3.41 -1.26 -1.98 113.62 108.26 2qlc n SER 52 Ca 0.22 0.59 0.11 0.00 -0.26 0.00 0.00 58.87 59.54 2qlc n SER 52 Cb 0.60 -0.65 0.10 0.00 -0.26 0.00 0.00 64.21 64.00 2qlc n SER 52 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2qlc n LEU 53 N -1.84 2.88 -4.58 1.04 4.77 -0.85 -4.85 117.00 113.57 2qlc n LEU 53 Ca 0.01 -1.02 -0.42 0.00 -0.03 0.00 0.00 56.01 54.55 2qlc n LEU 53 Cb 0.12 -0.01 -0.06 0.00 -2.33 0.00 0.00 43.42 41.14 2qlc n LEU 53 CO 0.12 0.49 0.48 -0.63 -1.33 0.00 0.00 177.39 176.52 2qlc s ILE 54 N -1.84 4.83 -0.37 -0.08 1.09 -0.84 -4.98 121.20 119.01 2qlc s ILE 54 Ca 0.27 0.78 -0.06 0.00 -1.10 0.00 0.00 60.65 60.54 2qlc s ILE 54 Cb 0.19 -4.12 0.07 0.00 -1.06 0.00 0.00 42.46 37.53 2qlc s ILE 54 CO 0.28 -0.33 0.15 -1.00 -0.10 0.00 0.00 174.94 173.94 2qlc s HIS 55 N 2.87 3.35 0.49 3.97 3.76 -1.26 -4.96 115.29 123.51 2qlc s HIS 55 Ca 0.28 -1.76 0.21 0.00 -0.15 0.00 0.00 55.06 53.64 2qlc s HIS 55 Cb -0.14 -2.65 1.25 0.00 1.11 0.00 0.00 32.58 32.15 2qlc s HIS 55 CO 0.15 -0.83 1.98 -1.35 -0.85 0.00 0.00 174.74 173.84 2qlc h PRO 56 N 8.19 0.17 -0.40 8.40 0.11 -1.98 -0.19 132.00 146.30 2qlc h PRO 56 Ca -0.20 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.91 2qlc h PRO 56 Cb 1.07 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 2qlc h PRO 56 CO 0.65 0.11 0.26 -0.09 -0.21 0.00 0.00 178.00 178.73 2qlc h ARG 57 N 0.17 0.49 0.18 1.05 2.43 -1.99 -0.39 114.38 116.32 2qlc h ARG 57 Ca 0.27 -0.03 -0.28 0.00 -0.81 0.00 0.00 59.98 59.13 2qlc h ARG 57 Cb 0.85 -0.11 0.02 0.00 -0.42 0.00 0.00 29.97 30.31 2qlc h ARG 57 CO -0.04 0.32 -1.33 0.93 -1.51 0.00 0.00 179.97 178.35 2qlc h GLU 58 N 0.51 0.38 -0.60 0.20 5.08 -1.47 -3.10 114.58 115.58 2qlc h GLU 58 Ca 0.15 -0.65 -0.04 0.00 -1.00 0.00 0.00 59.36 57.83 2qlc h GLU 58 Cb -0.01 0.24 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 2qlc h GLU 58 CO -0.03 1.31 0.23 0.82 -1.00 0.00 0.00 179.01 180.34 2qlc h ILE 59 N -0.11 1.23 0.00 3.13 2.04 -1.15 -2.96 117.51 119.69 2qlc h ILE 59 Ca -0.25 -0.73 -0.11 0.00 1.00 0.00 0.00 64.86 64.77 2qlc h ILE 59 Cb 1.91 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 38.56 2qlc h ILE 59 CO 0.17 0.28 -0.68 -0.26 0.00 0.00 0.00 178.15 177.67 2qlc h PHE 60 N 0.84 0.00 -0.87 1.37 0.04 -1.24 -2.62 116.94 114.46 2qlc h PHE 60 Ca 0.20 0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.97 2qlc h PHE 60 Cb 0.22 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.32 2qlc h PHE 60 CO 0.01 0.46 0.56 -0.22 -0.60 0.00 0.00 178.31 178.53 2qlc h LYS 61 N 0.00 1.16 -0.33 1.51 3.64 -1.50 0.21 116.57 121.24 2qlc h LYS 61 Ca -0.04 -0.08 -0.16 0.00 -1.27 0.00 0.00 60.65 59.11 2qlc h LYS 61 Cb 1.39 -0.26 -0.00 0.00 -0.41 0.00 0.00 32.23 32.95 2qlc h LYS 61 CO 0.05 0.78 -0.40 0.00 -2.27 0.00 0.00 179.45 177.61 2qlc h ALA 62 N 1.31 0.50 -0.50 5.00 0.00 -1.48 -1.61 119.26 122.48 2qlc h ALA 62 Ca 0.32 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2qlc h ALA 62 Cb -0.11 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 2qlc h ALA 62 CO -0.07 0.61 0.27 0.00 0.00 0.00 0.00 179.25 180.07 2qlc h ALA 63 N 0.73 0.64 -0.45 0.00 0.00 -1.16 -0.71 119.26 118.31 2qlc h ALA 63 Ca 0.04 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2qlc h ALA 63 Cb 1.00 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 2qlc h ALA 63 CO 0.10 0.17 0.20 0.82 0.00 0.00 0.00 179.25 180.53 2qlc h ILE 64 N 0.67 1.19 -0.29 0.00 2.04 -0.95 0.48 117.51 120.64 2qlc h ILE 64 Ca 0.18 -0.57 0.00 0.00 1.00 0.00 0.00 64.86 65.47 2qlc h ILE 64 Cb 0.06 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 2qlc h ILE 64 CO -0.03 0.22 0.19 -0.09 0.00 0.00 0.00 178.15 178.44 2qlc h ARG 65 N 0.58 0.38 -0.27 2.37 2.43 -1.00 -1.37 114.38 117.49 2qlc h ARG 65 Ca 0.15 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 2qlc h ARG 65 Cb 0.16 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 2qlc h ARG 65 CO -0.02 0.26 0.00 0.39 -1.51 0.00 0.00 179.97 179.09 2qlc n GLU 66 N -4.49 1.67 -4.07 0.20 -0.58 -0.30 -4.92 120.64 108.15 2qlc n GLU 66 Ca 0.01 -1.04 -0.34 0.00 -0.42 0.00 0.00 57.16 55.37 2qlc n GLU 66 Cb 0.07 -1.25 -0.02 0.00 -0.57 0.00 0.00 31.44 29.67 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 0.33 -3.62 -4.75 1.62 7.64 -0.52 -4.91 113.62 109.41 2qlc n SER 67 Ca 0.11 -0.89 -0.41 0.00 1.01 0.00 0.00 58.87 58.69 2qlc n SER 67 Cb 0.26 -2.95 -0.03 0.00 -1.01 0.00 0.00 64.21 60.48 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 -3.23 3.49 -0.01 -0.43 0.00 0.13 -4.87 121.76 116.85 2qlc s ALA 68 Ca 0.70 1.10 -0.13 0.00 0.00 0.00 0.00 51.96 53.64 2qlc s ALA 68 Cb -0.38 -3.45 -0.33 0.00 0.00 0.00 0.00 23.12 18.97 2qlc s ALA 68 CO 0.86 -0.49 0.81 1.25 0.00 0.00 0.00 175.76 178.19 2qlc h HIS 69 N 4.49 0.82 -4.10 0.00 -0.00 -0.90 -3.46 115.15 112.01 2qlc h HIS 69 Ca -0.46 -0.60 -0.14 0.00 -0.00 0.00 0.00 60.37 59.16 2qlc h HIS 69 Cb 1.22 -0.03 -0.12 0.00 -0.00 0.00 0.00 27.41 28.47 2qlc h HIS 69 CO 0.60 1.62 -0.39 -1.54 -0.00 0.00 0.00 177.93 178.22 2qlc s SER 70 N -7.41 0.06 0.11 3.26 1.04 -1.02 -3.50 113.70 106.25 2qlc s SER 70 Ca -0.13 -1.10 0.08 0.00 0.48 0.00 0.00 55.95 55.29 2qlc s SER 70 Cb 0.05 0.45 -0.04 0.00 0.10 0.00 0.00 66.02 66.58 2qlc s SER 70 CO 0.89 -0.94 -0.20 0.27 0.98 0.00 0.00 173.24 174.25 2qlc s ILE 71 N -4.06 1.70 -0.01 -1.02 -4.36 0.25 -0.61 121.20 113.08 2qlc s ILE 71 Ca 0.27 -1.61 0.07 0.00 -0.26 0.00 0.00 60.65 59.12 2qlc s ILE 71 Cb 0.04 -1.59 -0.02 0.00 1.25 0.00 0.00 42.46 42.14 2qlc s ILE 71 CO 0.07 -0.13 -0.22 -0.63 0.24 0.00 0.00 174.94 174.27 2qlc s ILE 72 N -1.36 1.74 -0.13 8.37 1.01 -0.74 -1.04 121.20 129.04 2qlc s ILE 72 Ca 0.08 -0.97 -0.05 0.00 0.00 0.00 0.00 60.65 59.71 2qlc s ILE 72 Cb -0.09 -1.45 -0.04 0.00 0.01 0.00 0.00 42.46 40.89 2qlc s ILE 72 CO 0.05 0.47 0.06 -0.22 0.00 0.00 0.00 174.94 175.30 2qlc s LEU 73 N -0.57 3.87 -0.04 2.97 2.96 -0.73 -0.47 118.68 126.68 2qlc s LEU 73 Ca 0.09 0.20 0.03 0.00 -0.22 0.00 0.00 54.13 54.22 2qlc s LEU 73 Cb -0.09 -1.94 0.00 0.00 0.50 0.00 0.00 46.19 44.67 2qlc s LEU 73 CO -0.01 0.30 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.52 2qlc s VAL 74 N -0.41 0.99 -0.10 1.68 1.01 0.15 -0.66 120.40 123.06 2qlc s VAL 74 Ca 0.09 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 61.63 2qlc s VAL 74 Cb -0.12 -0.88 0.02 0.00 0.00 0.00 0.00 36.38 35.40 2qlc s VAL 74 CO 0.02 0.30 -0.09 -2.28 0.00 0.00 0.00 175.10 173.05 2qlc s HIS 75 N 0.28 1.47 -0.00 5.22 2.46 -0.85 0.17 115.29 124.05 2qlc s HIS 75 Ca -0.06 -0.67 0.00 0.00 0.47 0.00 0.00 55.06 54.81 2qlc s HIS 75 Cb -0.11 -1.17 -0.04 0.00 -0.13 0.00 0.00 32.58 31.13 2qlc s HIS 75 CO 0.01 -0.43 0.05 0.54 -2.47 0.00 0.00 174.74 172.45 2qlc s ASN 76 N 1.31 5.46 -0.22 9.88 2.20 -0.70 -1.33 114.94 131.54 2qlc s ASN 76 Ca -0.02 0.08 -0.01 0.00 -0.94 0.00 0.00 52.86 51.97 2qlc s ASN 76 Cb -0.14 -1.51 0.02 0.00 -2.00 0.00 0.00 41.25 37.62 2qlc s ASN 76 CO -0.04 0.27 -0.12 -1.00 -2.94 0.00 0.00 177.10 173.28 2qlc s HIS 77 N -1.16 2.95 0.45 1.54 3.76 -1.06 -3.65 115.29 118.12 2qlc s HIS 77 Ca 0.22 -1.53 0.24 0.00 -0.15 0.00 0.00 55.06 53.85 2qlc s HIS 77 Cb -0.12 -2.00 1.26 0.00 1.11 0.00 0.00 32.58 32.83 2qlc s HIS 77 CO 0.13 -0.74 1.80 -1.00 -0.85 0.00 0.00 174.74 174.08 2qlc h PRO 78 N 7.99 0.24 0.00 8.40 0.13 -1.82 0.21 132.00 147.15 2qlc h PRO 78 Ca -0.39 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 64.73 2qlc h PRO 78 Cb 1.13 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 2qlc h PRO 78 CO 0.60 0.16 -0.02 0.66 -0.23 0.00 0.00 178.00 179.17 2qlc h SER 79 N 0.25 0.00 0.00 1.44 4.64 -1.94 -3.46 113.55 114.48 2qlc h SER 79 Ca 0.56 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.88 2qlc h SER 79 Cb 1.70 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.79 2qlc h SER 79 CO -0.18 0.02 0.00 0.61 -0.87 0.00 0.00 176.83 176.40 2qlc n GLY 80 N -1.32 1.36 3.73 -0.77 0.00 0.06 -4.92 105.19 103.33 2qlc n GLY 80 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 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 -3.15 7.40 -0.14 1.61 2.15 -1.26 -4.01 116.67 119.27 2qlc s ASP 81 Ca 0.00 1.67 0.17 0.00 0.43 0.00 0.00 52.55 54.82 2qlc s ASP 81 Cb 0.00 -2.55 0.30 0.00 -0.30 0.00 0.00 42.92 40.37 2qlc s ASP 81 CO 0.00 -0.06 1.16 1.33 -0.17 0.00 0.00 175.17 177.43 2qlc n VAL 82 N 2.91 1.86 -2.28 1.11 0.24 -1.26 -4.70 118.33 116.21 2qlc n VAL 82 Ca 0.01 -2.35 -0.41 0.00 -2.04 0.00 0.00 64.34 59.55 2qlc n VAL 82 Cb 0.50 -0.20 -0.03 0.00 -1.47 0.00 0.00 33.84 32.63 2qlc n VAL 82 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 2qlc s GLN 83 N -2.81 4.46 0.34 7.34 0.74 -1.26 -4.55 119.66 123.91 2qlc s GLN 83 Ca 0.32 2.01 -0.27 0.00 0.05 0.00 0.00 55.36 57.47 2qlc s GLN 83 Cb 0.29 -3.16 -0.09 0.00 1.10 0.00 0.00 33.01 31.14 2qlc s GLN 83 CO 0.01 -0.09 1.09 -1.25 -0.55 0.00 0.00 175.29 174.50 2qlc s PRO 84 N -0.99 4.40 0.47 1.67 0.04 -1.26 -5.05 135.00 134.28 2qlc s PRO 84 Ca 0.51 1.71 0.04 0.00 0.04 0.00 0.00 61.00 63.30 2qlc s PRO 84 Cb -0.36 -2.90 0.02 0.00 0.04 0.00 0.00 34.50 31.29 2qlc s PRO 84 CO 0.43 0.02 0.66 -1.54 0.04 0.00 0.00 177.00 176.61 2qlc s SER 85 N -1.14 5.56 0.37 6.66 1.04 -1.26 -4.97 113.70 119.96 2qlc s SER 85 Ca 0.51 -0.13 0.06 0.00 0.48 0.00 0.00 55.95 56.87 2qlc s SER 85 Cb -0.28 -0.94 0.76 0.00 0.10 0.00 0.00 66.02 65.66 2qlc s SER 85 CO 0.36 -0.87 1.99 0.78 0.98 0.00 0.00 173.24 176.48 2qlc h ASN 86 N 0.40 0.63 -0.63 7.02 -0.26 -1.99 -1.96 115.58 118.78 2qlc h ASN 86 Ca -0.42 -0.00 -0.09 0.00 -0.56 0.00 0.00 56.30 55.22 2qlc h ASN 86 Cb 1.28 -0.14 -0.02 0.00 -1.06 0.00 0.00 38.32 38.38 2qlc h ASN 86 CO 0.51 0.42 0.03 0.00 -1.06 0.00 0.00 177.43 177.33 2qlc h ALA 87 N 1.63 0.85 -0.66 -0.83 0.00 -1.94 -0.69 119.26 117.62 2qlc h ALA 87 Ca 0.27 -0.30 0.09 0.00 0.00 0.00 0.00 54.91 54.96 2qlc h ALA 87 Cb 0.15 -0.24 -0.07 0.00 0.00 0.00 0.00 17.79 17.64 2qlc h ALA 87 CO -0.08 0.68 0.31 -0.44 0.00 0.00 0.00 179.25 179.71 2qlc h ASP 88 N 1.01 0.38 -0.23 0.00 3.32 -1.74 -1.98 116.42 117.17 2qlc h ASP 88 Ca 0.18 0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.27 2qlc h ASP 88 Cb 0.53 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.07 2qlc h ASP 88 CO 0.03 0.23 0.04 0.11 -1.72 0.00 0.00 179.24 177.92 2qlc h LYS 89 N 0.54 0.38 -0.00 3.56 1.57 -1.01 -1.22 116.57 120.38 2qlc h LYS 89 Ca 0.32 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 59.00 2qlc h LYS 89 Cb 0.34 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.60 2qlc h LYS 89 CO -0.27 0.52 0.00 1.96 -0.57 0.00 0.00 179.45 181.09 2qlc h GLN 90 N 0.19 0.01 -0.98 3.15 4.20 -0.98 -1.36 115.11 119.34 2qlc h GLN 90 Ca 0.07 -0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.85 2qlc h GLN 90 Cb 0.32 -0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.03 2qlc h GLN 90 CO 0.00 0.09 0.63 0.28 -0.67 0.00 0.00 178.83 179.16 2qlc h VAL 91 N -0.08 1.08 -0.04 -0.54 2.07 -1.41 -1.58 116.25 115.75 2qlc h VAL 91 Ca 0.00 -0.39 -0.00 0.00 0.82 0.00 0.00 66.70 67.13 2qlc h VAL 91 Cb 0.09 -0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 29.69 2qlc h VAL 91 CO -0.00 0.21 0.02 0.74 0.02 0.00 0.00 177.57 178.55 2qlc h THR 92 N 1.14 1.12 -0.51 2.57 2.02 -0.99 -1.89 112.91 116.38 2qlc h THR 92 Ca 0.42 -0.35 0.03 0.00 0.77 0.00 0.00 66.41 67.29 2qlc h THR 92 Cb 0.17 1.29 -0.04 0.00 -1.74 0.00 0.00 68.15 67.83 2qlc h THR 92 CO -0.17 0.10 0.29 -1.28 0.37 0.00 0.00 175.52 174.82 2qlc h SER 93 N -0.08 0.45 0.29 4.18 0.87 -1.01 0.10 113.55 118.35 2qlc h SER 93 Ca 0.01 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.57 2qlc h SER 93 Cb 0.14 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.03 2qlc h SER 93 CO -0.00 0.31 -0.15 0.40 -0.53 0.00 0.00 176.83 176.86 2qlc h ILE 94 N 0.57 0.70 -0.05 2.23 2.04 -1.25 -2.30 117.51 119.44 2qlc h ILE 94 Ca 0.21 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.93 2qlc h ILE 94 Cb 0.06 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 2qlc h ILE 94 CO -0.12 0.00 -0.62 -0.07 0.00 0.00 0.00 178.15 177.35 2qlc h LEU 95 N -0.40 0.21 -0.47 1.44 3.38 -1.19 -0.97 115.31 117.31 2qlc h LEU 95 Ca -0.04 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.81 2qlc h LEU 95 Cb 0.31 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 2qlc h LEU 95 CO 0.06 0.77 0.30 0.50 0.09 0.00 0.00 178.44 180.16 2qlc h LYS 96 N 0.13 0.62 -0.14 1.13 1.63 -0.79 0.14 116.57 119.31 2qlc h LYS 96 Ca -0.01 -0.05 -0.17 0.00 -0.85 0.00 0.00 60.65 59.57 2qlc h LYS 96 Cb 1.12 -0.14 0.01 0.00 -0.60 0.00 0.00 32.23 32.62 2qlc h LYS 96 CO 0.09 0.43 -0.60 0.87 -3.45 0.00 0.00 179.45 176.80 2qlc h LYS 97 N 0.63 0.65 -0.77 1.90 1.57 -1.22 -2.11 116.57 117.21 2qlc h LYS 97 Ca 0.17 -0.51 0.03 0.00 -1.87 0.00 0.00 60.65 58.47 2qlc h LYS 97 Cb -0.04 0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.32 2qlc h LYS 97 CO -0.03 1.13 0.49 0.00 -0.57 0.00 0.00 179.45 180.47 2qlc h ALA 98 N 0.52 1.02 -0.04 3.86 0.00 -1.13 -2.07 119.26 121.43 2qlc h ALA 98 Ca -0.04 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 2qlc h ALA 98 Cb 1.23 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2qlc h ALA 98 CO 0.12 0.29 -0.31 0.78 0.00 0.00 0.00 179.25 180.14 2qlc h GLY 99 N 0.95 0.08 0.44 0.00 0.00 -0.62 -1.88 103.07 102.04 2qlc h GLY 99 Ca 0.31 -0.06 -0.05 0.00 0.00 0.00 0.00 47.33 47.53 2qlc h GLY 99 CO -0.12 0.05 -0.20 -0.55 0.00 0.00 0.00 176.54 175.72 2qlc h ASP 100 N 0.06 0.19 -0.61 0.19 3.32 -1.08 0.69 116.42 119.19 2qlc h ASP 100 Ca 0.01 -0.75 0.12 0.00 0.02 0.00 0.00 57.03 56.43 2qlc h ASP 100 Cb 0.58 -0.06 -0.10 0.00 0.22 0.00 0.00 39.33 39.97 2qlc h ASP 100 CO 0.04 0.92 0.03 0.25 -1.72 0.00 0.00 179.24 178.76 2qlc h LEU 101 N -0.51 -0.21 -0.32 1.55 5.85 -1.31 -2.77 115.31 117.59 2qlc h LEU 101 Ca -0.02 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.84 2qlc h LEU 101 Cb 0.94 0.24 0.00 0.00 0.37 0.00 0.00 40.66 42.21 2qlc h LEU 101 CO 0.04 -0.09 -0.19 0.18 -0.34 0.00 0.00 178.44 178.04 2qlc n LEU 102 N -5.24 0.69 -2.98 2.25 4.77 -0.72 -4.94 117.00 110.84 2qlc n LEU 102 Ca 0.09 -0.09 -0.22 0.00 -0.03 0.00 0.00 56.01 55.76 2qlc n LEU 102 Cb 0.35 -0.17 0.02 0.00 -2.33 0.00 0.00 43.42 41.29 2qlc n LEU 102 CO 0.12 0.13 -0.05 0.00 -1.33 0.00 0.00 177.39 176.27 2qlc n GLN 103 N -0.87 -4.09 -3.96 3.23 6.02 0.06 -4.95 117.38 112.82 2qlc n GLN 103 Ca 0.13 0.82 -0.30 0.00 -0.01 0.00 0.00 57.00 57.63 2qlc n GLN 103 Cb 0.31 -5.62 -0.14 0.00 1.02 0.00 0.00 30.24 25.81 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 -3.08 2.36 0.22 5.09 1.01 -0.20 -4.91 121.20 121.69 2qlc s ILE 104 Ca 0.27 -2.85 -0.30 0.00 0.00 0.00 0.00 60.65 57.77 2qlc s ILE 104 Cb -0.13 -2.68 -0.09 0.00 0.01 0.00 0.00 42.46 39.58 2qlc s ILE 104 CO 0.33 -0.72 1.20 -0.70 0.00 0.00 0.00 174.94 175.05 2qlc s GLU 105 N 0.25 4.50 -0.69 2.79 2.12 -1.23 -4.27 118.70 122.19 2qlc s GLU 105 Ca 0.14 1.91 -0.27 0.00 0.36 0.00 0.00 54.97 57.12 2qlc s GLU 105 Cb -0.23 -3.21 0.02 0.00 0.26 0.00 0.00 34.13 30.98 2qlc s GLU 105 CO -0.04 -0.04 1.36 -1.17 -0.54 0.00 0.00 175.26 174.83 2qlc s LEU 106 N -0.68 3.23 0.16 2.70 2.96 -1.26 -0.58 118.68 125.21 2qlc s LEU 106 Ca 0.51 -0.21 0.01 0.00 -0.22 0.00 0.00 54.13 54.21 2qlc s LEU 106 Cb -0.34 -2.67 0.00 0.00 0.50 0.00 0.00 46.19 43.68 2qlc s LEU 106 CO 0.40 -1.85 1.38 -0.07 -1.32 0.00 0.00 176.35 174.88 2qlc h LEU 107 N 13.34 0.35 -7.53 -0.68 3.38 -1.47 -3.48 115.31 119.22 2qlc h LEU 107 Ca -0.27 -0.27 0.18 0.00 0.09 0.00 0.00 57.88 57.61 2qlc h LEU 107 Cb 1.07 -0.11 -0.09 0.00 0.09 0.00 0.00 40.66 41.62 2qlc h LEU 107 CO 1.25 1.05 0.51 -0.62 0.09 0.00 0.00 178.44 180.72 2qlc s ASP 108 N -6.97 -0.20 -0.11 -0.43 2.15 -1.26 -4.82 116.67 105.04 2qlc s ASP 108 Ca -0.04 -0.33 -0.01 0.00 0.43 0.00 0.00 52.55 52.61 2qlc s ASP 108 Cb 0.10 0.45 0.03 0.00 -0.30 0.00 0.00 42.92 43.20 2qlc s ASP 108 CO 0.84 -0.82 -0.03 -2.28 -0.17 0.00 0.00 175.17 172.71 2qlc s HIS 109 N -3.20 1.14 -0.14 -5.34 5.65 -1.26 -1.77 115.29 110.37 2qlc s HIS 109 Ca 0.11 -0.56 0.02 0.00 0.25 0.00 0.00 55.06 54.89 2qlc s HIS 109 Cb -0.01 -1.05 0.01 0.00 -1.18 0.00 0.00 32.58 30.35 2qlc s HIS 109 CO 0.00 -0.46 -0.20 0.08 -0.65 0.00 0.00 174.74 173.51 2qlc s VAL 110 N 1.82 2.19 -0.24 0.89 1.01 0.17 -1.69 120.40 124.56 2qlc s VAL 110 Ca 0.04 -0.93 -0.16 0.00 0.00 0.00 0.00 61.98 60.93 2qlc s VAL 110 Cb -0.13 -1.89 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 2qlc s VAL 110 CO -0.07 0.54 0.40 -0.63 0.00 0.00 0.00 175.10 175.34 2qlc s ILE 111 N 0.83 5.18 -0.11 2.22 1.01 -0.54 -2.00 121.20 127.78 2qlc s ILE 111 Ca -0.06 0.66 -0.01 0.00 0.00 0.00 0.00 60.65 61.24 2qlc s ILE 111 Cb -0.15 -3.72 -0.03 0.00 0.01 0.00 0.00 42.46 38.57 2qlc s ILE 111 CO -0.02 0.20 -0.07 0.68 0.00 0.00 0.00 174.94 175.73 2qlc s VAL 112 N 1.72 3.62 0.00 2.92 -7.23 -0.44 -0.65 120.40 120.33 2qlc s VAL 112 Ca 0.17 -0.48 0.00 0.00 -1.81 0.00 0.00 61.98 59.86 2qlc s VAL 112 Cb -0.15 -2.53 0.00 0.00 0.56 0.00 0.00 36.38 34.26 2qlc s VAL 112 CO 0.09 0.54 0.00 0.61 -0.31 0.00 0.00 175.10 176.03 2qlc n GLY 113 N 2.98 4.41 0.00 2.32 0.00 0.22 -2.56 105.19 112.56 2qlc n GLY 113 Ca -0.18 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.10 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 -1.56 1.61 3.02 -1.26 -4.30 115.26 112.78 2qlc n ASN 114 Ca 0.00 0.79 -0.03 0.00 -0.03 0.00 0.00 54.58 55.31 2qlc n ASN 114 Cb 0.00 -0.49 0.09 0.00 -0.61 0.00 0.00 39.78 38.77 2qlc n ASN 114 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2qlc n ASN 115 N -1.96 2.35 -4.10 6.41 5.15 -1.26 -5.05 115.26 116.81 2qlc n ASN 115 Ca 0.00 -3.10 -0.10 0.00 -0.60 0.00 0.00 54.58 50.77 2qlc n ASN 115 Cb 0.00 -0.42 -0.11 0.00 -0.53 0.00 0.00 39.78 38.72 2qlc n ASN 115 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2qlc s ASP 116 N -3.15 0.81 0.11 1.20 -1.08 -1.26 -5.16 116.67 108.14 2qlc s ASP 116 Ca 0.39 -0.80 -0.14 0.00 -0.52 0.00 0.00 52.55 51.48 2qlc s ASP 116 Cb 0.38 0.10 0.02 0.00 -1.46 0.00 0.00 42.92 41.96 2qlc s ASP 116 CO -0.06 -0.39 0.34 -1.66 0.52 0.00 0.00 175.17 173.92 2qlc s TRP 117 N -2.71 -0.10 -0.10 -5.34 1.48 -1.26 -0.61 118.94 110.30 2qlc s TRP 117 Ca 0.01 -0.25 -0.02 0.00 -1.06 0.00 0.00 56.10 54.79 2qlc s TRP 117 Cb -0.01 0.16 0.03 0.00 -1.16 0.00 0.00 33.47 32.50 2qlc s TRP 117 CO -0.04 -0.65 -0.00 0.12 -4.06 0.00 0.00 176.95 172.32 2qlc s PHE 118 N -3.78 0.86 -0.22 1.66 5.36 0.18 -4.98 117.98 117.06 2qlc s PHE 118 Ca 0.03 -0.39 -0.15 0.00 -0.96 0.00 0.00 56.93 55.46 2qlc s PHE 118 Cb 0.03 -0.91 -0.04 0.00 -0.34 0.00 0.00 43.02 41.76 2qlc s PHE 118 CO -0.11 -0.41 0.35 0.45 -1.46 0.00 0.00 175.22 174.03 2qlc s SER 119 N 1.91 6.35 0.14 6.13 0.15 -1.26 -1.47 113.70 125.64 2qlc s SER 119 Ca 0.04 0.41 -0.15 0.00 0.70 0.00 0.00 55.95 56.95 2qlc s SER 119 Cb -0.13 -2.20 0.00 0.00 -1.71 0.00 0.00 66.02 61.98 2qlc s SER 119 CO -0.06 -0.06 1.64 -0.26 1.20 0.00 0.00 173.24 175.70 2qlc h PHE 120 N 7.49 0.73 -0.14 3.44 -1.00 -1.73 -2.79 116.94 122.94 2qlc h PHE 120 Ca -0.36 -0.09 0.01 0.00 2.81 0.00 0.00 57.97 60.35 2qlc h PHE 120 Cb 1.16 -0.21 -0.02 0.00 3.61 0.00 0.00 35.95 40.50 2qlc h PHE 120 CO 0.69 0.68 0.04 -0.09 -1.61 0.00 0.00 178.31 178.02 2qlc h ARG 121 N 0.57 0.11 0.00 1.51 2.43 -1.88 -1.15 114.38 115.97 2qlc h ARG 121 Ca 0.14 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 2qlc h ARG 121 Cb 0.31 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 2qlc h ARG 121 CO 0.00 0.07 0.00 -0.44 -1.51 0.00 0.00 179.97 178.09 2qlc h ASP 122 N 0.11 0.00 -0.46 -3.80 3.32 -1.95 -0.15 116.42 113.48 2qlc h ASP 122 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 2qlc h ASP 122 Cb 0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.59 2qlc h ASP 122 CO -0.06 0.00 0.00 1.41 -1.72 0.00 0.00 179.24 178.87 2qlc n HIS 123 N -2.61 0.60 -3.21 4.55 8.25 -1.00 -4.95 115.22 116.86 2qlc n HIS 123 Ca -0.01 -0.30 -0.21 0.00 -0.26 0.00 0.00 57.72 56.94 2qlc n HIS 123 Cb 0.13 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.30 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 1.48 -1.03 0.07 -1.41 0.00 -0.07 -4.89 120.51 114.66 2qlc n ALA 124 Ca 0.20 0.32 0.03 0.00 0.00 0.00 0.00 53.44 53.99 2qlc n ALA 124 Cb 0.60 -4.30 0.05 0.00 0.00 0.00 0.00 19.45 15.80 2qlc n ALA 124 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2qlc n LEU 125 N -4.11 1.98 -0.71 0.00 4.77 -0.49 -5.04 117.00 113.41 2qlc n LEU 125 Ca -0.05 -1.51 0.13 0.00 -0.03 0.00 0.00 56.01 54.55 2qlc n LEU 125 Cb 0.58 -0.06 0.32 0.00 -2.33 0.00 0.00 43.42 41.94 2qlc n LEU 125 CO 0.51 0.47 0.76 -0.11 -1.33 0.00 0.00 177.39 177.68