#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qlc s LYS 4 N 0.00 4.45 -0.45 1.96 2.20 -1.26 -2.38 119.74 124.27 2qlc s LYS 4 Ca 0.00 1.05 -0.14 0.00 -0.36 0.00 0.00 55.97 56.52 2qlc s LYS 4 Cb 0.00 -3.14 0.06 0.00 -1.51 0.00 0.00 37.83 33.24 2qlc s LYS 4 CO 0.00 0.52 0.35 0.08 -0.36 0.00 0.00 175.35 175.94 2qlc s VAL 5 N -1.26 5.04 -1.12 4.02 1.01 0.27 -4.88 120.40 123.48 2qlc s VAL 5 Ca 0.38 -1.04 0.20 0.00 0.00 0.00 0.00 61.98 61.51 2qlc s VAL 5 Cb -0.21 -3.98 -0.18 0.00 0.00 0.00 0.00 36.38 32.01 2qlc s VAL 5 CO 0.24 -0.51 0.89 0.29 0.00 0.00 0.00 175.10 176.01 2qlc n LYS 6 N 5.14 0.52 -3.77 2.72 5.02 -1.26 -4.88 118.16 121.65 2qlc n LYS 6 Ca -0.12 -0.17 -0.00 0.00 -2.02 0.00 0.00 58.31 56.00 2qlc n LYS 6 Cb 0.44 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 34.00 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 -2.81 -0.22 0.49 0.72 0.00 -1.26 -5.04 107.32 99.20 2qlc s GLY 7 Ca 0.09 0.26 0.23 0.00 0.00 0.00 0.00 44.72 45.30 2qlc s GLY 7 CO 0.78 1.63 2.03 0.00 0.00 0.00 0.00 173.10 177.53 2qlc h ALA 8 N 2.00 1.39 0.00 3.20 0.00 -2.00 -2.16 119.26 121.68 2qlc h ALA 8 Ca -0.27 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.46 2qlc h ALA 8 Cb 1.21 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 2qlc h ALA 8 CO 0.30 0.20 -0.15 0.07 0.00 0.00 0.00 179.25 179.66 2qlc h ARG 9 N 0.00 0.00 -0.26 0.00 -0.00 -1.99 -0.58 114.38 111.55 2qlc h ARG 9 Ca -0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 59.98 59.89 2qlc h ARG 9 Cb 0.36 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.32 2qlc h ARG 9 CO 0.02 0.15 -0.24 -0.44 -0.00 0.00 0.00 179.97 179.47 2qlc h ASP 10 N 0.00 0.49 -0.06 0.08 3.32 -1.77 0.39 116.42 118.87 2qlc h ASP 10 Ca -0.00 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 56.87 2qlc h ASP 10 Cb 0.28 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.70 2qlc h ASP 10 CO 0.02 0.72 -0.02 0.58 -1.72 0.00 0.00 179.24 178.83 2qlc h VAL 11 N 0.43 1.30 -0.48 -1.35 2.07 -1.31 -1.72 116.25 115.19 2qlc h VAL 11 Ca 0.07 -0.95 0.08 0.00 0.82 0.00 0.00 66.70 66.72 2qlc h VAL 11 Cb 0.65 1.82 -0.07 0.00 -1.52 0.00 0.00 31.29 32.17 2qlc h VAL 11 CO 0.05 0.26 0.08 0.15 0.02 0.00 0.00 177.57 178.13 2qlc h PHE 12 N -0.24 0.13 -0.49 1.57 3.57 -0.98 -0.62 116.94 119.88 2qlc h PHE 12 Ca 0.01 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 2qlc h PHE 12 Cb 0.42 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.15 2qlc h PHE 12 CO 0.06 -0.02 0.26 0.93 -2.23 0.00 0.00 178.31 177.31 2qlc h GLU 13 N 0.22 0.69 -0.77 1.11 4.39 -0.95 -2.76 114.58 116.52 2qlc h GLU 13 Ca 0.24 -0.09 0.01 0.00 0.34 0.00 0.00 59.36 59.87 2qlc h GLU 13 Cb 0.33 -0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 28.81 2qlc h GLU 13 CO -0.33 0.56 0.51 -0.92 -1.16 0.00 0.00 179.01 177.67 2qlc h TYR 14 N 0.65 0.95 0.00 4.33 3.20 -0.61 -2.98 116.97 122.51 2qlc h TYR 14 Ca 0.17 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.06 2qlc h TYR 14 Cb 0.07 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 38.02 2qlc h TYR 14 CO -0.01 0.59 0.00 0.52 -1.64 0.00 0.00 178.16 177.61 2qlc h MET 15 N 1.02 0.00 -6.70 1.82 2.86 -0.86 -3.45 114.93 109.62 2qlc h MET 15 Ca 0.29 0.00 -0.52 0.00 -2.06 0.00 0.00 59.70 57.40 2qlc h MET 15 Cb -0.08 0.00 0.04 0.00 0.06 0.00 0.00 31.60 31.62 2qlc h MET 15 CO -0.07 0.00 0.72 -1.59 1.06 0.00 0.00 176.91 177.03 2qlc s LYS 16 N -3.18 4.32 -0.48 1.72 -2.85 -1.07 -1.73 119.74 116.46 2qlc s LYS 16 Ca 0.08 2.18 0.00 0.00 -1.00 0.00 0.00 55.97 57.24 2qlc s LYS 16 Cb 0.09 -3.16 0.00 0.00 -2.06 0.00 0.00 37.83 32.70 2qlc s LYS 16 CO 0.61 -0.36 0.00 0.41 0.10 0.00 0.00 175.35 176.11 2qlc n GLY 17 N 2.44 0.72 0.00 0.59 0.00 -1.26 -4.90 105.19 102.78 2qlc n GLY 17 Ca 0.07 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.47 2.57 -2.60 1.61 1.74 -0.70 -4.95 116.66 111.85 2qlc n ARG 18 Ca -0.05 -0.25 -0.43 0.00 -0.77 0.00 0.00 57.85 56.36 2qlc n ARG 18 Cb 0.20 -0.73 -0.02 0.00 -1.02 0.00 0.00 32.46 30.89 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 -0.44 4.20 -0.81 0.55 1.01 -1.25 -4.93 121.20 119.53 2qlc s ILE 19 Ca 0.00 1.19 0.19 0.00 0.00 0.00 0.00 60.65 62.04 2qlc s ILE 19 Cb 0.00 -4.61 0.18 0.00 0.01 0.00 0.00 42.46 38.04 2qlc s ILE 19 CO 0.00 -1.03 1.60 -0.81 0.00 0.00 0.00 174.94 174.70 2qlc n PRO 20 N 7.88 0.08 -3.15 2.79 -0.05 -1.26 -4.19 135.00 137.10 2qlc n PRO 20 Ca 0.12 0.29 0.04 0.00 -0.05 0.00 0.00 63.50 63.90 2qlc n PRO 20 Cb 0.49 -1.64 -0.01 0.00 -0.05 0.00 0.00 33.50 32.29 2qlc n PRO 20 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 175.50 175.79 2qlc s ASP 21 N -3.51 -1.41 0.00 3.54 2.15 -1.26 -5.04 116.67 111.14 2qlc s ASP 21 Ca 0.07 0.59 0.11 0.00 0.43 0.00 0.00 52.55 53.74 2qlc s ASP 21 Cb 0.10 2.06 0.51 0.00 -0.30 0.00 0.00 42.92 45.29 2qlc s ASP 21 CO 0.35 -0.26 1.26 -0.62 -0.17 0.00 0.00 175.17 175.73 2qlc n GLU 22 N 5.42 0.10 0.09 4.34 1.02 -1.26 -2.18 120.64 128.17 2qlc n GLU 22 Ca 0.01 0.23 0.12 0.00 -0.02 0.00 0.00 57.16 57.49 2qlc n GLU 22 Cb 0.52 -1.50 0.03 0.00 -0.02 0.00 0.00 31.44 30.48 2qlc n GLU 22 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2qlc n THR 23 N -1.35 0.51 -4.00 2.62 -2.24 -1.26 -4.28 114.28 104.28 2qlc n THR 23 Ca 0.04 -0.46 -0.31 0.00 -2.27 0.00 0.00 64.05 61.05 2qlc n THR 23 Cb 0.10 -0.24 -0.06 0.00 -2.10 0.00 0.00 70.33 68.03 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 -3.31 3.09 0.17 -0.78 1.02 -0.93 -4.82 119.74 114.18 2qlc s LYS 24 Ca 0.01 -0.59 -0.30 0.00 0.02 0.00 0.00 55.97 55.11 2qlc s LYS 24 Cb 0.11 -2.84 -0.08 0.00 -0.52 0.00 0.00 37.83 34.50 2qlc s LYS 24 CO 0.78 0.59 1.13 -1.21 -0.92 0.00 0.00 175.35 175.72 2qlc s GLU 25 N -2.41 4.55 0.22 1.68 2.02 -1.26 -4.81 118.70 118.70 2qlc s GLU 25 Ca 0.31 1.77 0.01 0.00 0.02 0.00 0.00 54.97 57.08 2qlc s GLU 25 Cb -0.12 -3.27 -0.05 0.00 0.10 0.00 0.00 34.13 30.79 2qlc s GLU 25 CO 0.24 0.00 0.06 -1.01 0.02 0.00 0.00 175.26 174.57 2qlc s HIS 26 N -0.10 1.39 -0.09 1.61 3.76 -1.26 -2.21 115.29 118.39 2qlc s HIS 26 Ca 0.51 -1.12 0.04 0.00 -0.15 0.00 0.00 55.06 54.34 2qlc s HIS 26 Cb -0.30 -0.80 0.00 0.00 1.11 0.00 0.00 32.58 32.59 2qlc s HIS 26 CO 0.35 -0.29 -0.21 -1.17 -0.85 0.00 0.00 174.74 172.57 2qlc s LEU 27 N -3.25 1.98 -0.03 0.89 0.20 -0.50 -3.52 118.68 114.45 2qlc s LEU 27 Ca 0.32 -0.50 0.07 0.00 0.69 0.00 0.00 54.13 54.71 2qlc s LEU 27 Cb 0.07 -1.27 -0.02 0.00 -0.43 0.00 0.00 46.19 44.55 2qlc s LEU 27 CO 0.09 0.13 -0.24 -0.36 -0.29 0.00 0.00 176.35 175.68 2qlc s PHE 28 N 0.44 2.19 -0.28 5.38 0.08 0.37 -1.02 117.98 125.14 2qlc s PHE 28 Ca -0.18 -0.49 0.02 0.00 0.12 0.00 0.00 56.93 56.40 2qlc s PHE 28 Cb -0.17 -1.42 0.06 0.00 -0.57 0.00 0.00 43.02 40.92 2qlc s PHE 28 CO 0.07 -0.09 -0.06 0.08 -0.10 0.00 0.00 175.22 175.12 2qlc s VAL 29 N -0.42 2.44 -0.29 -0.44 1.01 0.44 -0.66 120.40 122.48 2qlc s VAL 29 Ca 0.05 -1.62 -0.23 0.00 0.00 0.00 0.00 61.98 60.18 2qlc s VAL 29 Cb -0.10 -2.46 -0.00 0.00 0.00 0.00 0.00 36.38 33.82 2qlc s VAL 29 CO 0.00 -0.10 0.77 -0.76 0.00 0.00 0.00 175.10 175.01 2qlc s LEU 30 N 1.13 4.09 -0.10 3.92 1.02 -0.07 -0.91 118.68 127.76 2qlc s LEU 30 Ca -0.06 0.70 -0.18 0.00 0.02 0.00 0.00 54.13 54.60 2qlc s LEU 30 Cb -0.20 -3.06 -0.04 0.00 0.02 0.00 0.00 46.19 42.91 2qlc s LEU 30 CO -0.04 -0.58 0.49 -0.36 0.02 0.00 0.00 176.35 175.88 2qlc s PHE 31 N 2.89 3.54 0.12 0.29 0.08 -0.83 -0.83 117.98 123.25 2qlc s PHE 31 Ca 0.32 0.93 0.07 0.00 0.12 0.00 0.00 56.93 58.36 2qlc s PHE 31 Cb -0.14 -2.55 -0.04 0.00 -0.57 0.00 0.00 43.02 39.72 2qlc s PHE 31 CO 0.12 0.21 -0.17 -0.51 -0.10 0.00 0.00 175.22 174.76 2qlc s LEU 32 N 0.48 2.38 0.82 -0.37 1.43 0.19 -0.67 118.68 122.94 2qlc s LEU 32 Ca 0.26 -0.78 -0.10 0.00 -1.03 0.00 0.00 54.13 52.48 2qlc s LEU 32 Cb -0.15 -0.69 0.13 0.00 0.03 0.00 0.00 46.19 45.50 2qlc s LEU 32 CO 0.11 -0.07 1.16 -0.94 0.23 0.00 0.00 176.35 176.84 2qlc s SER 33 N -2.33 4.04 0.45 2.29 1.04 -0.93 0.59 113.70 118.86 2qlc s SER 33 Ca 0.09 0.31 0.18 0.00 0.48 0.00 0.00 55.95 57.01 2qlc s SER 33 Cb -0.07 -0.66 1.15 0.00 0.10 0.00 0.00 66.02 66.54 2qlc s SER 33 CO 0.04 -2.12 1.94 0.74 0.98 0.00 0.00 173.24 174.82 2qlc h THR 34 N -1.06 0.78 -0.52 2.02 2.02 -1.94 -1.12 112.91 113.09 2qlc h THR 34 Ca -0.43 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 66.64 2qlc h THR 34 Cb 1.28 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 68.13 2qlc h THR 34 CO 0.50 0.06 0.00 0.29 0.37 0.00 0.00 175.52 176.73 2qlc n LYS 35 N -4.45 4.11 -3.25 6.66 5.02 -1.26 -4.97 118.16 120.02 2qlc n LYS 35 Ca 0.13 -2.68 -0.17 0.00 -2.02 0.00 0.00 58.31 53.58 2qlc n LYS 35 Cb 0.56 -2.07 0.06 0.00 -0.02 0.00 0.00 35.03 33.56 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 0.67 -4.57 -4.63 4.39 3.02 -0.42 -4.78 115.26 108.94 2qlc n ASN 36 Ca 0.24 -0.41 -0.35 0.00 -0.03 0.00 0.00 54.58 54.03 2qlc n ASN 36 Cb 0.99 -3.85 -0.10 0.00 -0.61 0.00 0.00 39.78 36.22 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 -5.77 3.39 -0.57 3.52 -0.21 -1.26 -0.56 119.66 118.19 2qlc s GLN 37 Ca 0.34 -0.42 -0.27 0.00 0.02 0.00 0.00 55.36 55.04 2qlc s GLN 37 Cb -0.15 -2.92 -0.01 0.00 1.00 0.00 0.00 33.01 30.92 2qlc s GLN 37 CO 0.54 0.50 1.76 0.42 -2.12 0.00 0.00 175.29 176.38 2qlc s ILE 38 N -0.30 3.45 0.08 1.08 1.01 -1.00 -2.19 121.20 123.33 2qlc s ILE 38 Ca 0.07 0.32 -0.25 0.00 0.00 0.00 0.00 60.65 60.78 2qlc s ILE 38 Cb -0.12 -4.01 -0.16 0.00 0.01 0.00 0.00 42.46 38.17 2qlc s ILE 38 CO 0.02 -0.92 1.70 -0.07 0.00 0.00 0.00 174.94 175.67 2qlc h LEU 39 N 15.42 -0.15 0.00 2.97 4.07 -1.26 -3.39 115.31 132.97 2qlc h LEU 39 Ca -0.27 -0.01 0.21 0.00 0.08 0.00 0.00 57.88 57.89 2qlc h LEU 39 Cb 1.15 0.04 -0.04 0.00 1.08 0.00 0.00 40.66 42.89 2qlc h LEU 39 CO 1.19 -0.09 0.60 -2.11 -1.08 0.00 0.00 178.44 176.95 2qlc n ARG 40 N -5.16 0.27 -4.25 1.13 1.85 -1.24 -5.04 116.66 104.22 2qlc n ARG 40 Ca -0.08 -0.79 -0.18 0.00 -1.00 0.00 0.00 57.85 55.79 2qlc n ARG 40 Cb 0.11 1.18 -0.11 0.00 -1.05 0.00 0.00 32.46 32.59 2qlc n ARG 40 CO 0.00 0.00 0.00 -3.38 -0.01 0.00 0.00 177.63 174.24 2qlc s HIS 41 N -2.56 1.43 -0.01 2.89 -3.43 -1.26 -1.97 115.29 110.38 2qlc s HIS 41 Ca 0.21 -0.56 0.01 0.00 -0.80 0.00 0.00 55.06 53.92 2qlc s HIS 41 Cb -0.01 -0.74 -0.04 0.00 -1.43 0.00 0.00 32.58 30.36 2qlc s HIS 41 CO 0.01 0.16 -0.01 -2.00 -2.00 0.00 0.00 174.74 170.90 2qlc s GLU 42 N -2.74 2.77 0.00 -0.38 2.56 -0.09 -4.95 118.70 115.88 2qlc s GLU 42 Ca 0.10 -0.60 0.03 0.00 0.00 0.00 0.00 54.97 54.49 2qlc s GLU 42 Cb -0.05 -2.66 -0.01 0.00 2.00 0.00 0.00 34.13 33.42 2qlc s GLU 42 CO 0.03 0.63 -0.09 -0.08 -0.56 0.00 0.00 175.26 175.19 2qlc s THR 43 N -1.05 0.72 -0.11 -1.70 -1.32 -1.26 -0.42 115.64 110.50 2qlc s THR 43 Ca 0.18 -0.50 -0.03 0.00 -1.21 0.00 0.00 61.69 60.13 2qlc s THR 43 Cb -0.11 -0.62 0.05 0.00 -1.51 0.00 0.00 72.50 70.30 2qlc s THR 43 CO 0.09 0.12 0.07 -0.63 -2.21 0.00 0.00 174.62 172.06 2qlc s ILE 44 N -0.38 -0.03 0.13 5.08 1.01 -0.19 -5.00 121.20 121.82 2qlc s ILE 44 Ca 0.02 0.08 -0.30 0.00 0.00 0.00 0.00 60.65 60.45 2qlc s ILE 44 Cb -0.04 -0.42 -0.07 0.00 0.01 0.00 0.00 42.46 41.94 2qlc s ILE 44 CO -0.00 -0.05 1.11 -0.89 0.00 0.00 0.00 174.94 175.11 2qlc s THR 45 N 2.12 4.02 -0.03 2.92 2.01 -1.26 -1.41 115.64 124.01 2qlc s THR 45 Ca 0.03 1.63 -0.13 0.00 0.31 0.00 0.00 61.69 63.54 2qlc s THR 45 Cb -0.14 -4.04 -0.05 0.00 0.01 0.00 0.00 72.50 68.27 2qlc s THR 45 CO -0.06 0.23 0.34 -0.63 -0.69 0.00 0.00 174.62 173.80 2qlc s ILE 46 N 0.21 5.15 0.05 1.82 1.01 -0.94 -4.92 121.20 123.59 2qlc s ILE 46 Ca 0.52 0.68 -0.02 0.00 0.00 0.00 0.00 60.65 61.83 2qlc s ILE 46 Cb -0.28 -3.63 0.01 0.00 0.01 0.00 0.00 42.46 38.56 2qlc s ILE 46 CO 0.33 0.59 0.10 0.61 0.00 0.00 0.00 174.94 176.56 2qlc n GLY 47 N 1.89 1.88 0.31 6.18 0.00 -1.26 -4.78 105.19 109.42 2qlc n GLY 47 Ca -0.15 -1.05 0.18 0.00 0.00 0.00 0.00 46.02 45.00 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 1.12 0.29 -0.20 2.61 1.35 -2.04 -2.99 112.91 113.06 2qlc h THR 48 Ca -0.04 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 65.73 2qlc h THR 48 Cb 0.15 1.06 0.00 0.00 -1.73 0.00 0.00 68.15 67.64 2qlc h THR 48 CO 0.05 0.01 0.00 0.18 -0.25 0.00 0.00 175.52 175.52 2qlc n LEU 49 N -3.47 2.97 -0.89 3.87 4.77 -1.26 -4.64 117.00 118.35 2qlc n LEU 49 Ca -0.03 -2.52 0.10 0.00 -0.03 0.00 0.00 56.01 53.54 2qlc n LEU 49 Cb 0.10 -0.33 0.13 0.00 -2.33 0.00 0.00 43.42 41.00 2qlc n LEU 49 CO 0.25 0.67 0.61 0.35 -1.33 0.00 0.00 177.39 177.93 2qlc n THR 50 N -0.34 0.25 -0.33 -5.08 -2.24 -1.13 -4.74 114.28 100.68 2qlc n THR 50 Ca 0.13 -0.63 0.23 0.00 -2.27 0.00 0.00 64.05 61.52 2qlc n THR 50 Cb 0.58 1.19 0.45 0.00 -2.10 0.00 0.00 70.33 70.44 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 3.87 1.70 0.00 6.98 0.00 -1.82 0.76 119.26 130.75 2qlc h ALA 51 Ca 0.00 0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2qlc h ALA 51 Cb 0.86 0.43 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2qlc h ALA 51 CO 0.00 -0.75 -0.25 0.66 0.00 0.00 0.00 179.25 178.90 2qlc h SER 52 N 0.03 0.00 0.98 0.00 4.64 -1.98 -2.56 113.55 114.67 2qlc h SER 52 Ca 0.73 -0.04 -0.17 0.00 -0.47 0.00 0.00 61.79 61.84 2qlc h SER 52 Cb 1.74 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.81 2qlc h SER 52 CO -0.82 0.02 -0.82 -0.07 -0.87 0.00 0.00 176.83 174.26 2qlc h LEU 53 N 0.00 0.00 -0.25 5.97 3.38 -1.20 -3.30 115.31 119.90 2qlc h LEU 53 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2qlc h LEU 53 Cb 0.88 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.63 2qlc h LEU 53 CO 0.00 0.82 -0.72 2.30 0.09 0.00 0.00 178.44 180.94 2qlc n ILE 54 N -3.43 0.00 -1.60 1.22 -5.35 -1.13 -4.62 119.36 104.45 2qlc n ILE 54 Ca 0.00 -0.07 -0.46 0.00 -0.27 0.00 0.00 62.75 61.96 2qlc n ILE 54 Cb 0.82 0.84 -0.02 0.00 -1.74 0.00 0.00 39.64 39.54 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 -1.12 1.42 -0.34 4.28 -0.00 -0.97 -4.71 115.22 113.79 2qlc n HIS 55 Ca 0.06 0.66 0.20 0.00 0.46 0.00 0.00 57.72 59.10 2qlc n HIS 55 Cb 0.36 -2.29 0.38 0.00 -0.12 0.00 0.00 29.99 28.32 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 2.68 0.01 -0.76 1.57 0.11 -1.93 -0.26 132.00 133.42 2qlc h PRO 56 Ca -0.41 -0.00 0.13 0.00 0.11 0.00 0.00 66.00 65.82 2qlc h PRO 56 Cb 1.33 -0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.31 2qlc h PRO 56 CO 0.65 0.00 -0.36 0.00 -0.21 0.00 0.00 178.00 178.09 2qlc h ARG 57 N 0.01 -0.09 -0.55 1.05 3.08 -1.96 0.24 114.38 116.16 2qlc h ARG 57 Ca 0.67 0.01 -0.11 0.00 0.07 0.00 0.00 59.98 60.62 2qlc h ARG 57 Cb 1.53 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 31.58 2qlc h ARG 57 CO -0.88 -0.06 -0.07 0.93 -1.07 0.00 0.00 179.97 178.81 2qlc h GLU 58 N -0.09 1.01 -0.27 0.04 4.39 -1.37 0.14 114.58 118.44 2qlc h GLU 58 Ca 0.28 -0.35 -0.03 0.00 0.34 0.00 0.00 59.36 59.60 2qlc h GLU 58 Cb 0.57 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 2qlc h GLU 58 CO -0.81 1.04 0.04 0.82 -1.16 0.00 0.00 179.01 178.93 2qlc h ILE 59 N 0.91 1.23 0.00 3.13 2.04 -0.86 -3.03 117.51 120.93 2qlc h ILE 59 Ca 0.15 -0.80 0.00 0.00 1.00 0.00 0.00 64.86 65.20 2qlc h ILE 59 Cb 0.63 1.25 0.00 0.00 -0.74 0.00 0.00 36.82 37.95 2qlc h ILE 59 CO 0.04 0.26 -0.26 -0.26 0.00 0.00 0.00 178.15 177.93 2qlc h PHE 60 N 0.26 0.00 -0.18 1.37 0.04 -0.41 -2.51 116.94 115.51 2qlc h PHE 60 Ca 0.08 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.84 2qlc h PHE 60 Cb 0.35 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.49 2qlc h PHE 60 CO 0.02 0.00 0.07 0.87 -0.60 0.00 0.00 178.31 178.67 2qlc h LYS 61 N 0.00 0.28 -0.32 1.51 1.57 -0.75 -0.26 116.57 118.60 2qlc h LYS 61 Ca 0.00 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 2qlc h LYS 61 Cb 0.99 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.24 2qlc h LYS 61 CO 0.00 0.37 0.09 0.00 -0.57 0.00 0.00 179.45 179.33 2qlc h ALA 62 N 0.90 1.56 -0.41 3.86 0.00 -1.49 0.73 119.26 124.41 2qlc h ALA 62 Ca 0.06 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 2qlc h ALA 62 Cb 0.20 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2qlc h ALA 62 CO -0.00 0.33 -0.21 0.00 0.00 0.00 0.00 179.25 179.37 2qlc h ALA 63 N 1.65 0.58 -0.45 0.00 0.00 -1.32 -0.77 119.26 118.96 2qlc h ALA 63 Ca 0.11 -0.38 -0.09 0.00 0.00 0.00 0.00 54.91 54.55 2qlc h ALA 63 Cb 0.16 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2qlc h ALA 63 CO -0.01 0.56 -0.08 0.82 0.00 0.00 0.00 179.25 180.54 2qlc h ILE 64 N 0.69 1.27 0.00 0.00 2.04 -0.49 -0.54 117.51 120.49 2qlc h ILE 64 Ca 0.09 -1.18 -0.00 0.00 1.00 0.00 0.00 64.86 64.77 2qlc h ILE 64 Cb 0.78 1.12 -0.00 0.00 -0.74 0.00 0.00 36.82 37.98 2qlc h ILE 64 CO 0.06 0.40 -0.00 0.03 0.00 0.00 0.00 178.15 178.64 2qlc h ARG 65 N 0.68 0.00 -0.00 2.37 3.08 -0.89 -2.16 114.38 117.46 2qlc h ARG 65 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.17 2qlc h ARG 65 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.66 2qlc h ARG 65 CO 0.04 0.00 -0.12 0.39 -1.07 0.00 0.00 179.97 179.21 2qlc n GLU 66 N -3.10 0.58 -2.39 0.04 -0.58 -0.30 -4.94 120.64 109.95 2qlc n GLU 66 Ca 0.03 -0.19 -0.20 0.00 -0.42 0.00 0.00 57.16 56.38 2qlc n GLU 66 Cb 0.45 -1.50 -0.01 0.00 -0.57 0.00 0.00 31.44 29.82 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 -1.04 -5.70 -4.75 1.62 7.64 -0.81 -4.95 113.62 105.63 2qlc n SER 67 Ca 0.13 -0.02 -0.40 0.00 1.01 0.00 0.00 58.87 59.59 2qlc n SER 67 Cb 0.28 -4.72 -0.05 0.00 -1.01 0.00 0.00 64.21 58.71 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 -3.00 3.34 0.17 -0.43 0.00 -0.25 -4.96 121.76 116.64 2qlc s ALA 68 Ca 0.00 0.69 0.07 0.00 0.00 0.00 0.00 51.96 52.73 2qlc s ALA 68 Cb -0.00 -3.26 -0.02 0.00 0.00 0.00 0.00 23.12 19.83 2qlc s ALA 68 CO 0.00 0.04 1.39 1.25 0.00 0.00 0.00 175.76 178.44 2qlc h HIS 69 N 4.46 0.06 -3.26 0.00 2.76 -0.12 -3.45 115.15 115.60 2qlc h HIS 69 Ca -0.45 -0.04 -0.08 0.00 -2.20 0.00 0.00 60.37 57.60 2qlc h HIS 69 Cb 1.21 -0.01 -0.16 0.00 1.55 0.00 0.00 27.41 30.00 2qlc h HIS 69 CO 0.61 0.90 -0.19 -1.12 -1.30 0.00 0.00 177.93 176.83 2qlc s SER 70 N -6.80 -0.17 0.16 3.26 0.01 -0.87 -3.91 113.70 105.38 2qlc s SER 70 Ca -0.00 -0.18 0.09 0.00 1.31 0.00 0.00 55.95 57.17 2qlc s SER 70 Cb 0.11 0.39 -0.04 0.00 0.21 0.00 0.00 66.02 66.69 2qlc s SER 70 CO 0.81 -0.67 -0.20 0.27 0.41 0.00 0.00 173.24 173.85 2qlc s ILE 71 N -2.79 1.93 -0.09 1.44 -4.36 -0.19 -0.64 121.20 116.50 2qlc s ILE 71 Ca -0.03 -1.88 0.05 0.00 -0.26 0.00 0.00 60.65 58.53 2qlc s ILE 71 Cb -0.00 -1.86 -0.00 0.00 1.25 0.00 0.00 42.46 41.85 2qlc s ILE 71 CO -0.05 -0.22 -0.24 -0.63 0.24 0.00 0.00 174.94 174.04 2qlc s ILE 72 N -1.79 2.06 -0.10 8.37 1.01 -0.01 -0.67 121.20 130.08 2qlc s ILE 72 Ca 0.15 -1.03 -0.13 0.00 0.00 0.00 0.00 60.65 59.64 2qlc s ILE 72 Cb -0.07 -1.77 -0.05 0.00 0.01 0.00 0.00 42.46 40.58 2qlc s ILE 72 CO 0.07 0.56 0.30 -0.22 0.00 0.00 0.00 174.94 175.65 2qlc s LEU 73 N 0.21 4.35 -0.05 2.97 2.96 -0.50 -0.89 118.68 127.73 2qlc s LEU 73 Ca -0.15 0.65 0.03 0.00 -0.22 0.00 0.00 54.13 54.44 2qlc s LEU 73 Cb -0.17 -2.38 0.01 0.00 0.50 0.00 0.00 46.19 44.15 2qlc s LEU 73 CO 0.08 0.24 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.53 2qlc s VAL 74 N -0.36 1.12 -0.03 1.68 1.01 0.16 -0.21 120.40 123.78 2qlc s VAL 74 Ca 0.19 -0.50 0.07 0.00 0.00 0.00 0.00 61.98 61.74 2qlc s VAL 74 Cb -0.14 -1.01 -0.02 0.00 0.00 0.00 0.00 36.38 35.21 2qlc s VAL 74 CO 0.07 0.34 -0.23 -1.00 0.00 0.00 0.00 175.10 174.28 2qlc s HIS 75 N 0.47 2.42 0.19 5.22 3.76 -0.69 -0.48 115.29 126.19 2qlc s HIS 75 Ca -0.11 -0.37 -0.09 0.00 -0.15 0.00 0.00 55.06 54.35 2qlc s HIS 75 Cb -0.14 -1.53 -0.07 0.00 1.11 0.00 0.00 32.58 31.95 2qlc s HIS 75 CO 0.03 0.02 0.50 0.54 -0.85 0.00 0.00 174.74 174.97 2qlc s ASN 76 N -0.64 6.61 -0.31 1.40 4.22 -1.23 -0.70 114.94 124.29 2qlc s ASN 76 Ca 0.10 0.84 0.03 0.00 -2.14 0.00 0.00 52.86 51.69 2qlc s ASN 76 Cb -0.10 -2.19 0.08 0.00 1.28 0.00 0.00 41.25 40.31 2qlc s ASN 76 CO -0.01 -0.01 -0.01 -1.00 -2.04 0.00 0.00 177.10 174.04 2qlc s HIS 77 N -1.71 3.52 0.48 1.54 3.76 -0.48 -4.51 115.29 117.88 2qlc s HIS 77 Ca 0.44 -2.61 0.21 0.00 -0.15 0.00 0.00 55.06 52.94 2qlc s HIS 77 Cb -0.12 -2.49 1.23 0.00 1.11 0.00 0.00 32.58 32.31 2qlc s HIS 77 CO 0.22 -0.91 1.96 -1.35 -0.85 0.00 0.00 174.74 173.80 2qlc h PRO 78 N 7.73 0.19 -0.44 8.40 0.11 -1.88 0.23 132.00 146.35 2qlc h PRO 78 Ca -0.12 -0.01 0.13 0.00 0.11 0.00 0.00 66.00 66.11 2qlc h PRO 78 Cb 1.03 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.08 2qlc h PRO 78 CO 0.51 0.13 0.40 0.66 -0.21 0.00 0.00 178.00 179.48 2qlc h SER 79 N 0.20 0.00 0.00 -2.05 4.64 -1.94 -3.46 113.55 110.94 2qlc h SER 79 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 2qlc h SER 79 Cb 0.93 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 2qlc h SER 79 CO -0.06 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.51 2qlc n GLY 80 N -1.54 0.81 3.54 -0.77 0.00 0.79 -4.97 105.19 103.06 2qlc n GLY 80 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.63 6.30 0.00 1.61 2.15 -1.26 -4.15 116.67 118.69 2qlc s ASP 81 Ca 0.00 -0.17 0.28 0.00 0.43 0.00 0.00 52.55 53.09 2qlc s ASP 81 Cb 0.00 -2.27 1.01 0.00 -0.30 0.00 0.00 42.92 41.36 2qlc s ASP 81 CO 0.00 -0.54 1.72 1.33 -0.17 0.00 0.00 175.17 177.51 2qlc n VAL 82 N 5.50 0.00 -1.89 1.11 0.24 -1.26 -4.81 118.33 117.22 2qlc n VAL 82 Ca -0.05 -0.10 -0.41 0.00 -2.04 0.00 0.00 64.34 61.74 2qlc n VAL 82 Cb 0.48 0.15 -0.01 0.00 -1.47 0.00 0.00 33.84 32.99 2qlc n VAL 82 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 2qlc s GLN 83 N -2.46 4.19 0.17 7.34 -1.52 -1.26 -4.46 119.66 121.65 2qlc s GLN 83 Ca 0.27 2.46 -0.30 0.00 -1.95 0.00 0.00 55.36 55.84 2qlc s GLN 83 Cb 0.20 -3.03 -0.08 0.00 -0.22 0.00 0.00 33.01 29.88 2qlc s GLN 83 CO 0.49 -0.49 1.19 -1.25 -0.25 0.00 0.00 175.29 174.98 2qlc s PRO 84 N -1.13 4.50 1.01 2.91 0.04 -1.26 -5.05 135.00 136.02 2qlc s PRO 84 Ca 0.57 1.85 -0.12 0.00 0.04 0.00 0.00 61.00 63.34 2qlc s PRO 84 Cb -0.45 -3.25 0.20 0.00 0.04 0.00 0.00 34.50 31.03 2qlc s PRO 84 CO 0.52 -0.09 1.08 -1.54 0.04 0.00 0.00 177.00 177.02 2qlc s SER 85 N 0.19 2.47 0.27 6.66 1.04 -1.26 -4.91 113.70 118.15 2qlc s SER 85 Ca 0.53 1.32 -0.01 0.00 0.48 0.00 0.00 55.95 58.27 2qlc s SER 85 Cb -0.32 -2.00 0.47 0.00 0.10 0.00 0.00 66.02 64.27 2qlc s SER 85 CO 0.36 -3.25 1.85 -1.13 0.98 0.00 0.00 173.24 172.05 2qlc h ASN 86 N -1.97 0.95 -0.79 7.02 -0.73 -2.00 -2.51 115.58 115.54 2qlc h ASN 86 Ca -0.55 0.03 -0.01 0.00 1.87 0.00 0.00 56.30 57.65 2qlc h ASN 86 Cb 1.32 -0.16 -0.04 0.00 0.27 0.00 0.00 38.32 39.71 2qlc h ASN 86 CO 0.55 0.55 0.47 0.00 -0.37 0.00 0.00 177.43 178.63 2qlc h ALA 87 N 1.49 1.01 -0.30 1.57 0.00 -2.00 -1.94 119.26 119.10 2qlc h ALA 87 Ca 0.46 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.26 2qlc h ALA 87 Cb 0.34 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2qlc h ALA 87 CO -0.22 0.49 0.12 -0.44 0.00 0.00 0.00 179.25 179.20 2qlc h ASP 88 N 1.09 0.36 0.04 0.00 3.32 -1.81 -2.22 116.42 117.21 2qlc h ASP 88 Ca 0.28 -0.03 -0.21 0.00 0.02 0.00 0.00 57.03 57.09 2qlc h ASP 88 Cb -0.02 -0.09 0.02 0.00 0.22 0.00 0.00 39.33 39.46 2qlc h ASP 88 CO -0.05 0.33 -0.85 0.11 -1.72 0.00 0.00 179.24 177.06 2qlc h LYS 89 N 0.41 0.50 0.24 3.56 1.57 -1.11 -2.74 116.57 119.00 2qlc h LYS 89 Ca 0.10 -0.59 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 2qlc h LYS 89 Cb 0.08 0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 2qlc h LYS 89 CO -0.01 1.22 -0.22 1.96 -0.57 0.00 0.00 179.45 181.83 2qlc h GLN 90 N 0.04 -0.46 -0.76 3.15 1.08 -1.31 -2.63 115.11 114.22 2qlc h GLN 90 Ca -0.12 0.03 0.02 0.00 -1.45 0.00 0.00 58.65 57.13 2qlc h GLN 90 Cb 1.55 0.10 -0.04 0.00 -0.05 0.00 0.00 27.48 29.05 2qlc h GLN 90 CO 0.16 -0.31 0.49 -0.24 -0.95 0.00 0.00 178.83 177.99 2qlc h VAL 91 N -0.48 1.15 -0.48 -0.54 3.04 -1.44 -1.72 116.25 115.79 2qlc h VAL 91 Ca -0.01 -0.34 0.07 0.00 -1.01 0.00 0.00 66.70 65.42 2qlc h VAL 91 Cb 0.44 0.08 -0.06 0.00 -2.01 0.00 0.00 31.29 29.74 2qlc h VAL 91 CO -0.04 0.18 0.12 0.74 -1.01 0.00 0.00 177.57 177.56 2qlc h THR 92 N 0.99 0.77 -0.16 3.17 2.02 -1.43 0.71 112.91 118.97 2qlc h THR 92 Ca 0.29 -0.09 -0.02 0.00 0.77 0.00 0.00 66.41 67.36 2qlc h THR 92 Cb -0.05 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 66.83 2qlc h THR 92 CO -0.09 0.05 0.03 -1.28 0.37 0.00 0.00 175.52 174.61 2qlc h SER 93 N 0.27 0.25 -0.11 4.18 0.87 -1.04 0.23 113.55 118.19 2qlc h SER 93 Ca 0.23 -0.24 -0.00 0.00 -1.23 0.00 0.00 61.79 60.55 2qlc h SER 93 Cb 0.29 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.18 2qlc h SER 93 CO -0.28 0.43 0.06 0.40 -0.53 0.00 0.00 176.83 176.91 2qlc h ILE 94 N 0.06 1.08 -0.12 2.23 2.04 -1.15 -1.37 117.51 120.28 2qlc h ILE 94 Ca 0.05 -0.22 -0.04 0.00 1.00 0.00 0.00 64.86 65.65 2qlc h ILE 94 Cb 0.28 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 2qlc h ILE 94 CO 0.00 0.07 -0.11 -0.07 0.00 0.00 0.00 178.15 178.05 2qlc h LEU 95 N 0.10 0.17 -0.28 1.44 -0.00 -0.84 -1.14 115.31 114.75 2qlc h LEU 95 Ca 0.04 -0.03 -0.15 0.00 -0.00 0.00 0.00 57.88 57.74 2qlc h LEU 95 Cb 0.06 -0.04 -0.00 0.00 -0.00 0.00 0.00 40.66 40.68 2qlc h LEU 95 CO -0.01 0.30 -0.42 0.50 -0.00 0.00 0.00 178.44 178.82 2qlc h LYS 96 N 0.17 0.78 0.35 1.13 3.64 -0.28 -1.98 116.57 120.37 2qlc h LYS 96 Ca 0.04 -0.46 -0.02 0.00 -1.27 0.00 0.00 60.65 58.94 2qlc h LYS 96 Cb 0.31 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 2qlc h LYS 96 CO 0.02 1.09 -0.17 0.87 -2.27 0.00 0.00 179.45 178.99 2qlc h LYS 97 N 0.53 -0.45 -0.72 1.90 1.57 -1.09 -1.16 116.57 117.16 2qlc h LYS 97 Ca 0.03 0.03 0.12 0.00 -1.87 0.00 0.00 60.65 58.95 2qlc h LYS 97 Cb 1.02 0.10 -0.05 0.00 0.08 0.00 0.00 32.23 33.38 2qlc h LYS 97 CO 0.10 -0.26 0.48 0.00 -0.57 0.00 0.00 179.45 179.19 2qlc h ALA 98 N 0.13 1.96 0.00 3.86 0.00 -1.26 -1.02 119.26 122.94 2qlc h ALA 98 Ca -0.05 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 2qlc h ALA 98 Cb 0.39 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2qlc h ALA 98 CO 0.08 -0.13 -0.44 0.78 0.00 0.00 0.00 179.25 179.54 2qlc h GLY 99 N 0.52 0.00 0.35 0.00 0.00 -1.07 -2.58 103.07 100.30 2qlc h GLY 99 Ca 0.34 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.65 2qlc h GLY 99 CO -0.11 0.00 -0.17 -0.55 0.00 0.00 0.00 176.54 175.71 2qlc h ASP 100 N 0.00 -0.40 -0.34 0.19 3.32 0.06 0.40 116.42 119.65 2qlc h ASP 100 Ca -0.00 0.01 0.03 0.00 0.02 0.00 0.00 57.03 57.09 2qlc h ASP 100 Cb 1.03 0.10 -0.04 0.00 0.22 0.00 0.00 39.33 40.64 2qlc h ASP 100 CO 0.06 -0.02 -0.20 -0.11 -1.72 0.00 0.00 179.24 177.25 2qlc n LEU 101 N -4.77 -0.36 0.00 1.55 0.00 -0.78 0.59 117.00 113.22 2qlc n LEU 101 Ca -0.06 0.80 0.11 0.00 0.00 0.00 0.00 56.01 56.86 2qlc n LEU 101 Cb 0.19 -0.17 0.53 0.00 0.00 0.00 0.00 43.42 43.96 2qlc n LEU 101 CO 0.14 -0.59 0.85 0.18 0.00 0.00 0.00 177.39 177.97 2qlc n LEU 102 N -3.90 0.00 -3.82 -1.96 4.32 -0.97 -4.90 117.00 105.77 2qlc n LEU 102 Ca 0.01 0.34 -0.24 0.00 -0.02 0.00 0.00 56.01 56.09 2qlc n LEU 102 Cb 0.09 -0.34 0.02 0.00 -1.62 0.00 0.00 43.42 41.57 2qlc n LEU 102 CO -0.05 -0.09 -0.08 0.00 -1.22 0.00 0.00 177.39 175.95 2qlc n GLN 103 N -1.34 -4.57 -3.83 3.23 6.02 0.20 -5.00 117.38 112.10 2qlc n GLN 103 Ca 0.09 0.55 -0.29 0.00 -0.01 0.00 0.00 57.00 57.35 2qlc n GLN 103 Cb 0.19 -5.07 -0.16 0.00 1.02 0.00 0.00 30.24 26.22 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 -3.66 0.97 0.11 5.09 1.01 0.13 -5.01 121.20 119.84 2qlc s ILE 104 Ca 0.15 -0.84 -0.28 0.00 0.00 0.00 0.00 60.65 59.67 2qlc s ILE 104 Cb -0.08 -1.37 -0.06 0.00 0.01 0.00 0.00 42.46 40.97 2qlc s ILE 104 CO 0.84 -0.15 0.89 -0.70 0.00 0.00 0.00 174.94 175.82 2qlc s GLU 105 N 1.65 4.65 -0.68 2.79 2.12 -1.25 -4.20 118.70 123.78 2qlc s GLU 105 Ca -0.03 1.33 -0.27 0.00 0.36 0.00 0.00 54.97 56.36 2qlc s GLU 105 Cb -0.18 -3.36 0.01 0.00 0.26 0.00 0.00 34.13 30.86 2qlc s GLU 105 CO -0.07 0.28 1.50 -1.17 -0.54 0.00 0.00 175.26 175.26 2qlc s LEU 106 N -0.18 3.23 0.17 2.70 2.96 -1.26 -1.02 118.68 125.28 2qlc s LEU 106 Ca 0.43 -0.10 -0.08 0.00 -0.22 0.00 0.00 54.13 54.17 2qlc s LEU 106 Cb -0.23 -2.59 0.05 0.00 0.50 0.00 0.00 46.19 43.92 2qlc s LEU 106 CO 0.28 -2.02 1.54 0.25 -1.32 0.00 0.00 176.35 175.07 2qlc h LEU 107 N 14.27 0.91 -7.20 -0.68 5.85 -1.27 -3.47 115.31 123.73 2qlc h LEU 107 Ca -0.27 -0.38 0.01 0.00 0.84 0.00 0.00 57.88 58.08 2qlc h LEU 107 Cb 1.09 -0.25 -0.11 0.00 0.37 0.00 0.00 40.66 41.76 2qlc h LEU 107 CO 1.25 1.15 0.24 -0.62 -0.34 0.00 0.00 178.44 180.12 2qlc s ASP 108 N -6.80 -0.49 -0.15 1.25 -1.08 -1.25 -4.84 116.67 103.31 2qlc s ASP 108 Ca -0.10 -0.12 0.01 0.00 -0.52 0.00 0.00 52.55 51.82 2qlc s ASP 108 Cb 0.12 0.61 0.02 0.00 -1.46 0.00 0.00 42.92 42.20 2qlc s ASP 108 CO 0.86 -1.01 -0.18 -2.28 0.52 0.00 0.00 175.17 173.08 2qlc s HIS 109 N -3.73 2.46 -0.13 -5.34 5.65 -1.26 -1.41 115.29 111.53 2qlc s HIS 109 Ca 0.03 -1.35 0.02 0.00 0.25 0.00 0.00 55.06 54.02 2qlc s HIS 109 Cb -0.02 -1.73 0.00 0.00 -1.18 0.00 0.00 32.58 29.65 2qlc s HIS 109 CO -0.09 -0.67 -0.19 0.08 -0.65 0.00 0.00 174.74 173.22 2qlc s VAL 110 N 1.19 2.35 -0.20 0.89 1.01 0.71 -1.36 120.40 124.98 2qlc s VAL 110 Ca 0.00 -0.89 -0.18 0.00 0.00 0.00 0.00 61.98 60.92 2qlc s VAL 110 Cb -0.14 -1.95 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 2qlc s VAL 110 CO -0.08 0.54 0.48 -0.63 0.00 0.00 0.00 175.10 175.40 2qlc s ILE 111 N 0.67 5.14 0.00 2.22 1.01 0.01 -1.70 121.20 128.55 2qlc s ILE 111 Ca -0.09 0.87 0.02 0.00 0.00 0.00 0.00 60.65 61.45 2qlc s ILE 111 Cb -0.16 -3.80 -0.04 0.00 0.01 0.00 0.00 42.46 38.47 2qlc s ILE 111 CO 0.02 0.21 -0.01 0.68 0.00 0.00 0.00 174.94 175.84 2qlc s VAL 112 N 1.47 4.09 0.00 2.92 -7.23 0.12 -1.02 120.40 120.75 2qlc s VAL 112 Ca 0.23 -0.64 0.00 0.00 -1.81 0.00 0.00 61.98 59.76 2qlc s VAL 112 Cb -0.15 -2.82 0.00 0.00 0.56 0.00 0.00 36.38 33.96 2qlc s VAL 112 CO 0.09 0.37 0.00 0.61 -0.31 0.00 0.00 175.10 175.86 2qlc n GLY 113 N 1.38 5.01 3.57 2.32 0.00 -0.79 -1.39 105.19 115.31 2qlc n GLY 113 Ca -0.14 -1.53 -0.41 0.00 0.00 0.00 0.00 46.02 43.93 2qlc n GLY 113 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2qlc s ASN 114 N 0.45 6.08 -1.47 1.61 -0.87 -1.26 -3.74 114.94 115.75 2qlc s ASN 114 Ca 0.00 0.19 -0.05 0.00 -1.57 0.00 0.00 52.86 51.44 2qlc s ASN 114 Cb 0.00 -2.55 0.02 0.00 -0.02 0.00 0.00 41.25 38.70 2qlc s ASN 114 CO 0.00 -1.77 0.44 0.59 -2.57 0.00 0.00 177.10 173.79 2qlc n ASN 115 N 9.75 -5.27 -3.94 -1.22 4.13 -1.26 -4.98 115.26 112.48 2qlc n ASN 115 Ca 0.12 -0.23 -0.09 0.00 1.68 0.00 0.00 54.58 56.06 2qlc n ASN 115 Cb 0.49 -4.31 -0.05 0.00 -1.54 0.00 0.00 39.78 34.37 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 -2.56 -0.13 0.13 6.41 -1.08 -1.25 -5.18 116.67 113.01 2qlc s ASP 116 Ca 0.26 -0.81 -0.02 0.00 -0.52 0.00 0.00 52.55 51.45 2qlc s ASP 116 Cb -0.12 0.60 -0.04 0.00 -1.46 0.00 0.00 42.92 41.90 2qlc s ASP 116 CO 0.32 -1.14 0.08 -1.66 0.52 0.00 0.00 175.17 173.29 2qlc s TRP 117 N -3.98 0.78 -0.09 -5.34 -2.14 -1.26 -1.88 118.94 105.03 2qlc s TRP 117 Ca 0.18 -1.16 0.00 0.00 2.66 0.00 0.00 56.10 57.78 2qlc s TRP 117 Cb -0.01 -0.42 0.02 0.00 -3.10 0.00 0.00 33.47 29.96 2qlc s TRP 117 CO 0.06 -0.54 -0.07 0.12 -2.66 0.00 0.00 176.95 173.87 2qlc s PHE 118 N -4.03 1.23 -0.22 1.66 5.36 -0.19 -4.98 117.98 116.81 2qlc s PHE 118 Ca 0.22 -0.53 -0.08 0.00 -0.96 0.00 0.00 56.93 55.58 2qlc s PHE 118 Cb 0.07 -1.05 -0.04 0.00 -0.34 0.00 0.00 43.02 41.66 2qlc s PHE 118 CO 0.01 -0.40 0.10 0.45 -1.46 0.00 0.00 175.22 173.92 2qlc s SER 119 N 1.47 5.64 0.14 6.13 0.15 -1.26 -0.81 113.70 125.16 2qlc s SER 119 Ca -0.01 0.01 -0.15 0.00 0.70 0.00 0.00 55.95 56.50 2qlc s SER 119 Cb -0.13 -2.00 0.01 0.00 -1.71 0.00 0.00 66.02 62.19 2qlc s SER 119 CO -0.05 0.08 1.72 -0.26 1.20 0.00 0.00 173.24 175.94 2qlc h PHE 120 N 7.40 0.63 -0.31 3.44 -1.00 -1.63 -2.75 116.94 122.71 2qlc h PHE 120 Ca -0.37 -0.03 0.04 0.00 2.81 0.00 0.00 57.97 60.41 2qlc h PHE 120 Cb 1.17 -0.19 -0.03 0.00 3.61 0.00 0.00 35.95 40.50 2qlc h PHE 120 CO 0.63 0.51 0.10 -0.09 -1.61 0.00 0.00 178.31 177.85 2qlc h ARG 121 N 0.56 0.22 0.00 1.51 9.65 -1.89 0.38 114.38 124.81 2qlc h ARG 121 Ca 0.15 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 59.02 2qlc h ARG 121 Cb 0.12 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 28.65 2qlc h ARG 121 CO -0.02 0.14 0.00 -0.25 2.80 0.00 0.00 179.97 182.65 2qlc n ASP 122 N -5.04 0.62 -1.35 -3.80 8.00 -1.16 -1.59 116.55 112.24 2qlc n ASP 122 Ca -0.00 0.70 0.06 0.00 0.71 0.00 0.00 54.79 56.26 2qlc n ASP 122 Cb 0.12 -0.81 0.31 0.00 -0.02 0.00 0.00 41.12 40.71 2qlc n ASP 122 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 2qlc n HIS 123 N -2.23 1.48 -2.20 1.24 8.25 -1.00 -4.97 115.22 115.80 2qlc n HIS 123 Ca 0.01 -0.90 -0.17 0.00 -0.26 0.00 0.00 57.72 56.40 2qlc n HIS 123 Cb 0.16 -0.43 -0.02 0.00 1.12 0.00 0.00 29.99 30.82 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 -0.14 -0.58 0.46 -1.41 0.00 -0.62 -4.89 120.51 113.32 2qlc n ALA 124 Ca 0.26 0.17 0.11 0.00 0.00 0.00 0.00 53.44 53.99 2qlc n ALA 124 Cb 1.05 -1.87 -0.00 0.00 0.00 0.00 0.00 19.45 18.63 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 -2.74 0.58 0.00 0.00 4.77 0.13 -4.99 117.00 114.75 2qlc n LEU 125 Ca -0.20 0.02 0.08 0.00 -0.03 0.00 0.00 56.01 55.87 2qlc n LEU 125 Cb 0.64 -0.08 0.46 0.00 -2.33 0.00 0.00 43.42 42.11 2qlc n LEU 125 CO 0.25 0.01 0.67 0.18 -1.33 0.00 0.00 177.39 177.17