#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qlr s VAL 2 N 0.00 1.54 -0.06 2.62 1.01 -1.26 -4.57 120.40 119.68 1qlr s VAL 2 Ca 0.00 -0.80 0.05 0.00 0.00 0.00 0.00 61.98 61.22 1qlr s VAL 2 Cb 0.00 -1.31 -0.02 0.00 0.00 0.00 0.00 36.38 35.06 1qlr s VAL 2 CO 0.00 0.44 -0.20 -1.10 0.00 0.00 0.00 175.10 174.24 1qlr s GLN 3 N -0.18 2.61 -0.23 2.72 -1.52 -0.28 -4.97 119.66 117.80 1qlr s GLN 3 Ca 0.01 -0.82 0.02 0.00 -1.95 0.00 0.00 55.36 52.62 1qlr s GLN 3 Cb -0.10 -2.28 0.04 0.00 -0.22 0.00 0.00 33.01 30.45 1qlr s GLN 3 CO 0.01 0.44 -0.14 -0.51 -0.25 0.00 0.00 175.29 174.85 1qlr s LEU 4 N -0.30 2.95 -0.12 2.90 1.43 -1.26 -1.19 118.68 123.09 1qlr s LEU 4 Ca 0.01 -1.08 -0.08 0.00 -1.03 0.00 0.00 54.13 51.95 1qlr s LEU 4 Cb -0.13 -1.54 -0.04 0.00 0.03 0.00 0.00 46.19 44.51 1qlr s LEU 4 CO 0.03 -0.12 0.16 -1.10 0.23 0.00 0.00 176.35 175.55 1qlr s GLN 5 N 1.19 3.56 0.02 1.70 -0.21 -0.07 -4.42 119.66 121.43 1qlr s GLN 5 Ca -0.03 -0.09 0.08 0.00 0.02 0.00 0.00 55.36 55.34 1qlr s GLN 5 Cb -0.17 -3.22 -0.02 0.00 1.00 0.00 0.00 33.01 30.60 1qlr s GLN 5 CO -0.08 0.72 -0.25 -0.65 -2.12 0.00 0.00 175.29 172.92 1qlr s GLN 6 N -0.89 1.77 0.15 2.91 -0.21 -1.26 -1.21 119.66 120.92 1qlr s GLN 6 Ca 0.15 -1.00 -0.06 0.00 0.02 0.00 0.00 55.36 54.47 1qlr s GLN 6 Cb -0.12 -1.86 -0.02 0.00 1.00 0.00 0.00 33.01 32.00 1qlr s GLN 6 CO 0.04 0.49 0.19 1.67 -2.12 0.00 0.00 175.29 175.56 1qlr s TRP 7 N -0.73 0.57 0.00 0.91 -2.14 0.00 -4.98 118.94 112.57 1qlr s TRP 7 Ca 0.10 -0.94 0.00 0.00 2.66 0.00 0.00 56.10 57.92 1qlr s TRP 7 Cb -0.10 -0.22 0.00 0.00 -3.10 0.00 0.00 33.47 30.05 1qlr s TRP 7 CO 0.01 -0.63 0.00 0.41 -2.66 0.00 0.00 176.95 174.08 1qlr n GLY 8 N -0.15 3.57 3.66 3.67 0.00 -1.26 -0.90 105.19 113.77 1qlr n GLY 8 Ca -0.07 -0.80 -0.46 0.00 0.00 0.00 0.00 46.02 44.69 1qlr n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qlr n ALA 9 N -1.15 0.97 0.86 4.61 0.00 -1.26 -4.93 120.51 119.61 1qlr n ALA 9 Ca 0.00 0.44 0.10 0.00 0.00 0.00 0.00 53.44 53.97 1qlr n ALA 9 Cb 0.00 -2.28 -0.00 0.00 0.00 0.00 0.00 19.45 17.16 1qlr n ALA 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qlr n GLY 10 N 2.78 0.00 2.82 0.00 0.00 -1.26 -4.87 105.19 104.66 1qlr n GLY 10 Ca 0.15 -0.56 -0.24 0.00 0.00 0.00 0.00 46.02 45.37 1qlr n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1qlr s LEU 11 N -2.26 0.82 0.33 0.99 2.96 -1.26 -0.60 118.68 119.67 1qlr s LEU 11 Ca 0.16 -0.16 0.03 0.00 -0.22 0.00 0.00 54.13 53.94 1qlr s LEU 11 Cb 0.16 -0.57 -0.04 0.00 0.50 0.00 0.00 46.19 46.23 1qlr s LEU 11 CO 0.49 -0.16 0.12 -0.76 -1.32 0.00 0.00 176.35 174.72 1qlr s LEU 12 N 1.82 1.86 0.06 -0.68 1.43 -0.90 -4.98 118.68 117.30 1qlr s LEU 12 Ca 0.04 -1.54 0.09 0.00 -1.03 0.00 0.00 54.13 51.69 1qlr s LEU 12 Cb -0.12 -0.03 -0.03 0.00 0.03 0.00 0.00 46.19 46.03 1qlr s LEU 12 CO -0.06 -0.83 -0.24 -0.54 0.23 0.00 0.00 176.35 174.92 1qlr s LYS 13 N -3.83 1.79 -0.34 1.70 1.02 -1.26 -1.43 119.74 117.40 1qlr s LYS 13 Ca 0.33 -1.13 -0.44 0.00 0.02 0.00 0.00 55.97 54.75 1qlr s LYS 13 Cb 0.05 -2.02 -0.19 0.00 -0.52 0.00 0.00 37.83 35.15 1qlr s LYS 13 CO 0.16 0.51 1.51 -2.30 -0.92 0.00 0.00 175.35 174.31 1qlr n PRO 14 N 1.52 0.25 -0.96 -1.68 -0.02 -1.25 -0.66 135.00 132.19 1qlr n PRO 14 Ca -0.17 0.09 0.00 0.00 -2.02 0.00 0.00 63.50 61.40 1qlr n PRO 14 Cb 0.52 -1.63 0.00 0.00 -0.02 0.00 0.00 33.50 32.37 1qlr n PRO 14 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1qlr n SER 15 N 3.70 -2.70 -3.79 2.55 3.41 -0.50 -4.91 113.62 111.38 1qlr n SER 15 Ca 0.28 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.60 1qlr n SER 15 Cb 0.01 -0.45 0.21 0.00 -0.26 0.00 0.00 64.21 63.72 1qlr n SER 15 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1qlr n GLU 16 N -2.90 -1.72 -4.93 4.33 1.02 0.17 -4.26 120.64 112.35 1qlr n GLU 16 Ca 0.00 -1.95 -0.33 0.00 -0.02 0.00 0.00 57.16 54.86 1qlr n GLU 16 Cb 0.00 -1.41 -0.15 0.00 -0.02 0.00 0.00 31.44 29.86 1qlr n GLU 16 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1qlr s THR 17 N -3.65 2.79 0.09 2.62 -4.23 -1.26 -2.22 115.64 109.78 1qlr s THR 17 Ca 0.73 -0.78 -0.23 0.00 -1.18 0.00 0.00 61.69 60.23 1qlr s THR 17 Cb -0.03 -2.12 -0.07 0.00 1.34 0.00 0.00 72.50 71.62 1qlr s THR 17 CO 0.52 0.55 0.70 -0.22 -0.54 0.00 0.00 174.62 175.64 1qlr s LEU 18 N 0.01 4.52 -0.07 4.79 2.96 -0.32 -4.93 118.68 125.64 1qlr s LEU 18 Ca -0.05 1.44 -0.01 0.00 -0.22 0.00 0.00 54.13 55.29 1qlr s LEU 18 Cb -0.15 -3.14 0.03 0.00 0.50 0.00 0.00 46.19 43.43 1qlr s LEU 18 CO 0.05 0.16 -0.02 -0.55 -1.32 0.00 0.00 176.35 174.66 1qlr s SER 19 N -0.71 1.40 0.10 3.68 0.15 -1.26 -1.73 113.70 115.33 1qlr s SER 19 Ca 0.34 -0.11 0.06 0.00 0.70 0.00 0.00 55.95 56.94 1qlr s SER 19 Cb -0.21 -0.47 -0.03 0.00 -1.71 0.00 0.00 66.02 63.60 1qlr s SER 19 CO 0.23 -0.14 -0.14 -0.76 1.20 0.00 0.00 173.24 173.62 1qlr s LEU 20 N 1.61 2.36 0.06 3.45 1.43 -0.75 -4.12 118.68 122.72 1qlr s LEU 20 Ca -0.00 -0.74 0.03 0.00 -1.03 0.00 0.00 54.13 52.38 1qlr s LEU 20 Cb -0.13 -0.53 -0.03 0.00 0.03 0.00 0.00 46.19 45.53 1qlr s LEU 20 CO -0.04 -0.12 -0.09 -0.89 0.23 0.00 0.00 176.35 175.44 1qlr s THR 21 N -1.84 0.71 -0.05 5.49 2.01 -0.08 -1.68 115.64 120.20 1qlr s THR 21 Ca 0.05 -1.34 -0.02 0.00 0.31 0.00 0.00 61.69 60.69 1qlr s THR 21 Cb -0.07 -0.97 0.04 0.00 0.01 0.00 0.00 72.50 71.51 1qlr s THR 21 CO 0.03 -0.47 0.10 0.00 -0.69 0.00 0.00 174.62 173.58 1qlr s ALA 23 N 1.64 3.09 -0.23 0.00 0.00 -0.35 -1.96 121.76 123.94 1qlr s ALA 23 Ca -0.03 -0.91 -0.07 0.00 0.00 0.00 0.00 51.96 50.96 1qlr s ALA 23 Cb -0.12 -1.27 -0.03 0.00 0.00 0.00 0.00 23.12 21.70 1qlr s ALA 23 CO -0.04 0.59 0.05 0.08 0.00 0.00 0.00 175.76 176.44 1qlr s VAL 24 N -0.90 4.25 -0.28 0.00 1.01 -1.15 -0.89 120.40 122.44 1qlr s VAL 24 Ca 0.14 -0.20 -0.03 0.00 0.00 0.00 0.00 61.98 61.89 1qlr s VAL 24 Cb -0.11 -2.97 0.03 0.00 0.00 0.00 0.00 36.38 33.33 1qlr s VAL 24 CO 0.04 0.37 0.00 -0.31 0.00 0.00 0.00 175.10 175.20 1qlr s TYR 25 N 1.41 3.16 0.00 5.22 1.51 -0.34 -4.95 117.35 123.36 1qlr s TYR 25 Ca 0.05 -1.50 0.00 0.00 -1.01 0.00 0.00 57.07 54.61 1qlr s TYR 25 Cb -0.15 -2.14 0.00 0.00 -0.11 0.00 0.00 41.96 39.57 1qlr s TYR 25 CO 0.03 -0.72 0.00 0.41 -1.11 0.00 0.00 175.55 174.16 1qlr n GLY 26 N 4.71 0.32 0.00 0.71 0.00 -1.26 -1.13 105.19 108.54 1qlr n GLY 26 Ca -0.15 0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1qlr n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qlr n GLY 27 N 0.00 2.55 3.87 -0.02 0.00 -1.26 -4.89 105.19 105.43 1qlr n GLY 27 Ca 0.00 -0.16 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 1qlr n GLY 27 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1qlr s SER 28 N 1.00 6.62 0.00 1.61 0.15 -1.26 -4.94 113.70 116.88 1qlr s SER 28 Ca 0.00 1.14 0.19 0.00 0.70 0.00 0.00 55.95 57.98 1qlr s SER 28 Cb 0.00 -2.32 -0.13 0.00 -1.71 0.00 0.00 66.02 61.86 1qlr s SER 28 CO 0.00 -0.28 0.86 0.33 1.20 0.00 0.00 173.24 175.36 1qlr n PHE 29 N -0.79 0.00 -0.08 3.44 7.35 -1.26 -4.84 117.46 121.28 1qlr n PHE 29 Ca 0.02 0.00 -0.13 0.00 -0.76 0.00 0.00 57.45 56.58 1qlr n PHE 29 Cb 0.53 0.00 -0.05 0.00 0.35 0.00 0.00 39.48 40.31 1qlr n PHE 29 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 1qlr h SER 30 N 0.79 0.64 0.00 -2.13 0.87 -2.01 -3.41 113.55 108.30 1qlr h SER 30 Ca 0.00 -0.48 0.00 0.00 -1.23 0.00 0.00 61.79 60.08 1qlr h SER 30 Cb 0.52 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.30 1qlr h SER 30 CO 0.00 0.99 -0.39 0.47 -0.53 0.00 0.00 176.83 177.38 1qlr n ASP 31 N -4.34 0.91 -4.55 6.23 8.00 -1.26 -4.40 116.55 117.13 1qlr n ASP 31 Ca -0.05 -0.49 -0.37 0.00 0.71 0.00 0.00 54.79 54.60 1qlr n ASP 31 Cb 0.45 1.04 0.06 0.00 -0.02 0.00 0.00 41.12 42.65 1qlr n ASP 31 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1qlr n TYR 32 N -1.20 0.13 -3.35 1.24 4.01 -1.26 -4.78 117.16 111.94 1qlr n TYR 32 Ca 0.01 0.41 -0.43 0.00 -0.16 0.00 0.00 57.90 57.72 1qlr n TYR 32 Cb 0.08 -2.04 -0.09 0.00 -0.31 0.00 0.00 39.34 36.98 1qlr n TYR 32 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1qlr s TYR 33 N -1.71 3.18 0.10 -0.72 2.02 -1.26 -4.30 117.35 114.66 1qlr s TYR 33 Ca 0.72 -0.39 -0.25 0.00 -0.37 0.00 0.00 57.07 56.78 1qlr s TYR 33 Cb -0.39 -2.83 -0.07 0.00 -0.40 0.00 0.00 41.96 38.28 1qlr s TYR 33 CO 0.51 -0.67 0.78 -1.58 -1.57 0.00 0.00 175.55 173.03 1qlr s TRP 34 N 2.05 3.82 0.29 2.71 0.52 0.54 -4.50 118.94 124.37 1qlr s TRP 34 Ca 0.11 1.56 0.09 0.00 0.02 0.00 0.00 56.10 57.89 1qlr s TRP 34 Cb -0.17 -2.81 -0.04 0.00 -1.15 0.00 0.00 33.47 29.29 1qlr s TRP 34 CO 0.13 0.38 0.01 -1.12 0.02 0.00 0.00 176.95 176.37 1qlr s SER 35 N -0.54 4.46 -0.07 2.95 0.01 -0.83 -1.63 113.70 118.04 1qlr s SER 35 Ca 0.38 -0.75 0.03 0.00 1.31 0.00 0.00 55.95 56.93 1qlr s SER 35 Cb -0.22 -0.74 -0.02 0.00 0.21 0.00 0.00 66.02 65.25 1qlr s SER 35 CO 0.25 -0.09 -0.18 0.26 0.41 0.00 0.00 173.24 173.89 1qlr s TRP 36 N -2.38 2.64 0.19 2.43 0.52 -0.66 -2.22 118.94 119.46 1qlr s TRP 36 Ca 0.33 -0.50 0.03 0.00 0.02 0.00 0.00 56.10 55.98 1qlr s TRP 36 Cb -0.05 -1.68 -0.05 0.00 -1.15 0.00 0.00 33.47 30.55 1qlr s TRP 36 CO 0.20 -0.07 -0.02 0.42 0.02 0.00 0.00 176.95 177.50 1qlr s ILE 37 N -0.22 0.87 0.20 2.03 1.01 -0.96 -1.54 121.20 122.59 1qlr s ILE 37 Ca -0.00 -2.01 -0.12 0.00 0.00 0.00 0.00 60.65 58.52 1qlr s ILE 37 Cb -0.13 -2.15 0.00 0.00 0.01 0.00 0.00 42.46 40.19 1qlr s ILE 37 CO 0.03 -0.47 0.40 0.00 0.00 0.00 0.00 174.94 174.90 1qlr s ARG 38 N -3.87 1.33 -0.23 2.79 1.70 -0.50 -1.92 118.95 118.25 1qlr s ARG 38 Ca 0.24 -1.13 -0.03 0.00 -0.47 0.00 0.00 55.73 54.34 1qlr s ARG 38 Cb 0.05 0.44 0.11 0.00 -0.57 0.00 0.00 34.95 34.98 1qlr s ARG 38 CO 0.05 -0.53 0.27 -1.14 -1.08 0.00 0.00 175.30 172.87 1qlr s GLN 39 N -3.96 0.25 0.44 3.89 0.74 -0.61 -1.41 119.66 119.00 1qlr s GLN 39 Ca 0.17 0.23 -0.25 0.00 0.05 0.00 0.00 55.36 55.56 1qlr s GLN 39 Cb 0.01 -0.94 -0.08 0.00 1.10 0.00 0.00 33.01 33.10 1qlr s GLN 39 CO 0.02 -0.71 1.30 -2.14 -0.55 0.00 0.00 175.29 173.21 1qlr s PRO 40 N 2.39 3.79 0.31 1.67 0.02 -1.26 -1.60 135.00 140.32 1qlr s PRO 40 Ca 0.09 2.12 -0.29 0.00 0.02 0.00 0.00 61.00 62.93 1qlr s PRO 40 Cb -0.15 -2.62 -0.11 0.00 0.02 0.00 0.00 34.50 31.64 1qlr s PRO 40 CO -0.16 -0.63 1.49 -2.14 -0.33 0.00 0.00 177.00 175.23 1qlr s PRO 41 N -2.43 4.19 0.00 5.54 0.02 -1.26 -1.66 135.00 139.40 1qlr s PRO 41 Ca 0.60 2.45 0.00 0.00 0.02 0.00 0.00 61.00 64.08 1qlr s PRO 41 Cb -0.37 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.11 1qlr s PRO 41 CO 0.47 -0.49 0.00 0.41 -0.33 0.00 0.00 177.00 177.05 1qlr n GLY 42 N 1.59 2.25 2.70 0.52 0.00 -1.26 -4.97 105.19 106.03 1qlr n GLY 42 Ca 0.05 -0.01 -0.14 0.00 0.00 0.00 0.00 46.02 45.92 1qlr n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1qlr n LYS 43 N 0.00 0.47 -1.06 1.61 4.76 -0.66 -5.14 118.16 118.14 1qlr n LYS 43 Ca 0.00 -2.05 -0.10 0.00 -2.87 0.00 0.00 58.31 53.29 1qlr n LYS 43 Cb 0.00 -0.29 0.06 0.00 -1.84 0.00 0.00 35.03 32.96 1qlr n LYS 43 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1qlr n GLY 44 N -0.08 -0.20 3.84 0.72 0.00 -1.26 -4.69 105.19 103.51 1qlr n GLY 44 Ca 0.11 -1.85 -0.34 0.00 0.00 0.00 0.00 46.02 43.95 1qlr n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qlr s LEU 45 N 0.00 4.18 -0.05 0.99 1.43 -1.26 -4.18 118.68 119.79 1qlr s LEU 45 Ca 0.27 1.32 -0.02 0.00 -1.03 0.00 0.00 54.13 54.67 1qlr s LEU 45 Cb -0.01 -3.86 0.03 0.00 0.03 0.00 0.00 46.19 42.39 1qlr s LEU 45 CO 0.18 -0.10 0.08 -0.70 0.23 0.00 0.00 176.35 176.04 1qlr s GLU 46 N -2.55 -0.02 0.05 1.70 2.12 -0.50 -4.98 118.70 114.52 1qlr s GLU 46 Ca 0.49 0.35 -0.30 0.00 0.36 0.00 0.00 54.97 55.86 1qlr s GLU 46 Cb -0.13 -0.32 -0.05 0.00 0.26 0.00 0.00 34.13 33.89 1qlr s GLU 46 CO 0.19 -0.24 1.10 -0.46 -0.54 0.00 0.00 175.26 175.31 1qlr s TRP 47 N 1.64 3.54 -0.22 5.30 -0.00 -1.26 -1.41 118.94 126.53 1qlr s TRP 47 Ca -0.03 1.48 -0.04 0.00 -0.00 0.00 0.00 56.10 57.52 1qlr s TRP 47 Cb -0.12 -3.29 -0.19 0.00 -0.00 0.00 0.00 33.47 29.87 1qlr s TRP 47 CO -0.04 -0.72 -0.07 -0.89 -0.00 0.00 0.00 176.95 175.23 1qlr n ILE 48 N 3.81 1.57 0.00 5.86 5.41 -0.59 -4.64 119.36 130.77 1qlr n ILE 48 Ca 0.07 -0.53 0.00 0.00 1.00 0.00 0.00 62.75 63.29 1qlr n ILE 48 Cb 0.48 -1.60 0.00 0.00 -0.71 0.00 0.00 39.64 37.81 1qlr n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1qlr n GLY 49 N 2.00 0.51 3.39 7.39 0.00 -1.20 -1.54 105.19 115.74 1qlr n GLY 49 Ca -0.43 -1.09 -0.10 0.00 0.00 0.00 0.00 46.02 44.39 1qlr n GLY 49 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1qlr s GLU 50 N -2.00 1.35 0.09 1.61 -1.05 -0.32 -1.65 118.70 116.74 1qlr s GLU 50 Ca 0.00 -1.42 -0.21 0.00 -0.15 0.00 0.00 54.97 53.19 1qlr s GLU 50 Cb 0.00 0.37 0.05 0.00 -0.44 0.00 0.00 34.13 34.11 1qlr s GLU 50 CO 0.00 -0.51 0.51 -1.50 0.95 0.00 0.00 175.26 174.71 1qlr s ILE 51 N -4.08 0.03 0.51 1.83 2.07 -0.65 -1.88 121.20 119.03 1qlr s ILE 51 Ca 0.30 -0.27 0.02 0.00 -1.41 0.00 0.00 60.65 59.29 1qlr s ILE 51 Cb 0.03 -1.03 -0.01 0.00 0.13 0.00 0.00 42.46 41.58 1qlr s ILE 51 CO 0.10 -0.15 0.05 0.54 -1.91 0.00 0.00 174.94 173.57 1qlr s ASN 52 N -2.34 4.17 0.60 4.50 6.03 -1.15 -0.34 114.94 126.41 1qlr s ASN 52 Ca -0.02 -1.58 0.34 0.00 -1.03 0.00 0.00 52.86 50.57 1qlr s ASN 52 Cb -0.00 0.43 1.90 0.00 -3.03 0.00 0.00 41.25 40.55 1qlr s ASN 52 CO -0.07 -0.84 2.23 1.12 -2.03 0.00 0.00 177.10 177.51 1qlr h HIS 53 N 1.32 0.00 -0.53 1.54 2.07 -1.78 -0.70 115.15 117.08 1qlr h HIS 53 Ca -0.43 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.09 1qlr h HIS 53 Cb 1.31 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.29 1qlr h HIS 53 CO 1.39 0.03 0.00 -1.13 -3.07 0.00 0.00 177.93 175.15 1qlr n SER 54 N -3.49 3.91 0.00 3.10 3.41 -1.26 -4.90 113.62 114.39 1qlr n SER 54 Ca -0.02 -2.34 0.00 0.00 -0.26 0.00 0.00 58.87 56.25 1qlr n SER 54 Cb 0.13 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.57 1qlr n SER 54 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1qlr n GLY 55 N 1.01 1.91 3.77 5.00 0.00 -0.27 -5.05 105.19 111.56 1qlr n GLY 55 Ca 0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 1qlr n GLY 55 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1qlr s SER 56 N -2.48 6.95 0.26 1.61 1.04 -1.26 -4.82 113.70 115.00 1qlr s SER 56 Ca 0.00 2.09 0.05 0.00 0.48 0.00 0.00 55.95 58.57 1qlr s SER 56 Cb 0.00 -2.60 -0.06 0.00 0.10 0.00 0.00 66.02 63.47 1qlr s SER 56 CO 0.00 -0.36 -0.02 0.42 0.98 0.00 0.00 173.24 174.26 1qlr s THR 57 N -1.50 1.31 -0.04 2.02 -4.23 -1.26 -2.92 115.64 109.01 1qlr s THR 57 Ca 0.53 -2.07 0.01 0.00 -1.18 0.00 0.00 61.69 58.98 1qlr s THR 57 Cb -0.25 -2.43 0.02 0.00 1.34 0.00 0.00 72.50 71.19 1qlr s THR 57 CO 0.31 -0.29 -0.02 0.20 -0.54 0.00 0.00 174.62 174.29 1qlr s ASN 58 N -3.38 0.74 0.15 3.99 0.01 -0.79 -4.98 114.94 110.69 1qlr s ASN 58 Ca 0.30 -0.08 0.09 0.00 -0.71 0.00 0.00 52.86 52.46 1qlr s ASN 58 Cb 0.05 -0.34 -0.04 0.00 0.41 0.00 0.00 41.25 41.33 1qlr s ASN 58 CO 0.11 -0.08 -0.13 -0.31 -1.51 0.00 0.00 177.10 175.17 1qlr s TYR 59 N 1.03 2.60 0.23 2.20 2.02 -1.26 -1.17 117.35 123.00 1qlr s TYR 59 Ca -0.10 -0.23 -0.31 0.00 -0.37 0.00 0.00 57.07 56.06 1qlr s TYR 59 Cb -0.14 -1.31 -0.11 0.00 -0.40 0.00 0.00 41.96 40.00 1qlr s TYR 59 CO -0.01 0.47 1.61 1.21 -1.57 0.00 0.00 175.55 177.26 1qlr s ASN 60 N -2.55 6.46 0.57 2.29 3.84 -0.59 -4.87 114.94 120.09 1qlr s ASN 60 Ca 0.22 2.81 0.35 0.00 0.21 0.00 0.00 52.86 56.45 1qlr s ASN 60 Cb -0.10 -2.61 1.52 0.00 -0.55 0.00 0.00 41.25 39.52 1qlr s ASN 60 CO 0.13 -0.89 2.04 1.55 -2.79 0.00 0.00 177.10 177.15 1qlr h PRO 61 N 6.00 0.00 0.00 0.43 0.13 -1.95 -2.50 132.00 134.11 1qlr h PRO 61 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1qlr h PRO 61 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1qlr h PRO 61 CO 0.88 0.01 0.00 -1.13 -0.23 0.00 0.00 178.00 177.53 1qlr n SER 62 N -3.11 0.00 0.00 1.44 3.41 -1.26 -3.36 113.62 110.74 1qlr n SER 62 Ca -0.00 -1.77 0.00 0.00 -0.26 0.00 0.00 58.87 56.84 1qlr n SER 62 Cb 0.27 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 1qlr n SER 62 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1qlr n LEU 63 N -0.57 0.00 -0.32 1.04 4.77 -1.09 -4.93 117.00 115.90 1qlr n LEU 63 Ca 0.03 0.00 0.21 0.00 -0.03 0.00 0.00 56.01 56.23 1qlr n LEU 63 Cb 0.02 0.00 0.43 0.00 -2.33 0.00 0.00 43.42 41.53 1qlr n LEU 63 CO 0.02 0.00 1.03 0.50 -1.33 0.00 0.00 177.39 177.62 1qlr h LYS 64 N 0.00 0.21 -0.55 3.23 3.64 -1.46 0.93 116.57 122.58 1qlr h LYS 64 Ca 0.00 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.31 1qlr h LYS 64 Cb 0.00 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 1qlr h LYS 64 CO 0.00 0.14 0.11 0.66 -2.27 0.00 0.00 179.45 178.08 1qlr h SER 65 N 0.22 0.85 -0.14 4.20 4.64 -1.90 -3.28 113.55 118.13 1qlr h SER 65 Ca 0.69 -0.25 0.00 0.00 -0.47 0.00 0.00 61.79 61.76 1qlr h SER 65 Cb 1.57 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 63.44 1qlr h SER 65 CO -0.67 0.88 0.00 0.54 -0.87 0.00 0.00 176.83 176.71 1qlr n ARG 66 N -4.38 1.55 -4.99 4.77 1.74 0.30 -4.96 116.66 110.69 1qlr n ARG 66 Ca 0.02 -0.82 -0.31 0.00 -0.77 0.00 0.00 57.85 55.97 1qlr n ARG 66 Cb 0.25 -1.34 -0.15 0.00 -1.02 0.00 0.00 32.46 30.20 1qlr n ARG 66 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1qlr s VAL 67 N -1.82 2.30 -0.04 1.55 1.01 -1.08 -1.62 120.40 120.70 1qlr s VAL 67 Ca 0.29 -1.22 0.01 0.00 0.00 0.00 0.00 61.98 61.06 1qlr s VAL 67 Cb 0.15 -1.88 0.02 0.00 0.00 0.00 0.00 36.38 34.68 1qlr s VAL 67 CO 0.23 0.45 -0.02 -0.89 0.00 0.00 0.00 175.10 174.87 1qlr s THR 68 N -0.76 0.36 0.02 3.92 2.01 -0.20 -4.96 115.64 116.04 1qlr s THR 68 Ca 0.12 -0.01 0.07 0.00 0.31 0.00 0.00 61.69 62.17 1qlr s THR 68 Cb -0.10 -0.42 -0.03 0.00 0.01 0.00 0.00 72.50 71.96 1qlr s THR 68 CO 0.01 0.19 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.32 1qlr s ILE 69 N 1.01 2.75 0.17 1.82 1.01 -1.26 -1.30 121.20 125.41 1qlr s ILE 69 Ca -0.10 -1.12 -0.13 0.00 0.00 0.00 0.00 60.65 59.30 1qlr s ILE 69 Cb -0.14 -2.13 0.01 0.00 0.01 0.00 0.00 42.46 40.21 1qlr s ILE 69 CO -0.01 0.39 0.38 -0.94 0.00 0.00 0.00 174.94 174.76 1qlr s SER 70 N -1.28 -0.09 0.03 3.58 1.04 -0.55 -4.98 113.70 111.47 1qlr s SER 70 Ca 0.14 -0.69 0.04 0.00 0.48 0.00 0.00 55.95 55.92 1qlr s SER 70 Cb -0.10 0.49 -0.02 0.00 0.10 0.00 0.00 66.02 66.49 1qlr s SER 70 CO 0.04 -0.95 -0.12 0.68 0.98 0.00 0.00 173.24 173.86 1qlr s VAL 71 N -3.92 0.96 -0.52 5.02 -7.23 -1.26 -0.96 120.40 112.49 1qlr s VAL 71 Ca 0.13 -0.89 0.03 0.00 -1.81 0.00 0.00 61.98 59.44 1qlr s VAL 71 Cb 0.02 -0.88 0.13 0.00 0.56 0.00 0.00 36.38 36.21 1qlr s VAL 71 CO -0.02 -0.00 0.27 -0.62 -0.31 0.00 0.00 175.10 174.42 1qlr s ASP 72 N -1.01 4.52 0.54 4.85 -1.08 0.19 -4.95 116.67 119.73 1qlr s ASP 72 Ca 0.01 -2.90 0.31 0.00 -0.52 0.00 0.00 52.55 49.45 1qlr s ASP 72 Cb -0.07 -1.68 1.47 0.00 -1.46 0.00 0.00 42.92 41.19 1qlr s ASP 72 CO 0.01 -0.27 2.05 0.71 0.52 0.00 0.00 175.17 178.19 1qlr h THR 73 N 5.58 0.34 -0.62 1.71 1.35 -1.91 0.73 112.91 120.09 1qlr h THR 73 Ca -0.07 -0.56 -0.01 0.00 -0.55 0.00 0.00 66.41 65.23 1qlr h THR 73 Cb 0.91 1.42 -0.03 0.00 -1.73 0.00 0.00 68.15 68.72 1qlr h THR 73 CO 0.68 0.09 0.36 -1.28 -0.25 0.00 0.00 175.52 175.11 1qlr h SER 74 N 0.00 0.75 -0.00 5.36 0.87 -1.95 -3.10 113.55 115.48 1qlr h SER 74 Ca -0.00 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 1qlr h SER 74 Cb 0.41 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.18 1qlr h SER 74 CO 0.01 0.60 -0.31 0.29 -0.53 0.00 0.00 176.83 176.89 1qlr n LYS 75 N -4.39 3.21 -3.01 2.24 5.02 -0.79 -5.01 118.16 115.42 1qlr n LYS 75 Ca 0.06 -0.27 -0.12 0.00 -2.02 0.00 0.00 58.31 55.96 1qlr n LYS 75 Cb 0.09 -0.98 0.06 0.00 -0.02 0.00 0.00 35.03 34.18 1qlr n LYS 75 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1qlr n ASN 76 N -0.77 -2.16 -4.19 4.39 5.03 0.18 -4.84 115.26 112.90 1qlr n ASN 76 Ca 0.03 -0.43 -0.12 0.00 0.87 0.00 0.00 54.58 54.92 1qlr n ASN 76 Cb 0.16 -3.73 -0.10 0.00 -1.02 0.00 0.00 39.78 35.09 1qlr n ASN 76 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 1qlr s GLN 77 N -4.99 0.90 0.15 3.52 -0.21 -1.00 -2.95 119.66 115.07 1qlr s GLN 77 Ca 0.02 -1.33 -0.03 0.00 0.02 0.00 0.00 55.36 54.03 1qlr s GLN 77 Cb -0.01 -0.40 -0.03 0.00 1.00 0.00 0.00 33.01 33.57 1qlr s GLN 77 CO 0.51 0.03 0.13 -0.59 -2.12 0.00 0.00 175.29 173.25 1qlr s PHE 78 N -3.28 0.75 0.21 0.91 -0.71 -0.83 -0.64 117.98 114.39 1qlr s PHE 78 Ca 0.12 -1.11 -0.19 0.00 -1.04 0.00 0.00 56.93 54.71 1qlr s PHE 78 Cb 0.03 -0.36 0.03 0.00 -1.21 0.00 0.00 43.02 41.51 1qlr s PHE 78 CO -0.02 -0.59 0.58 -1.54 -1.34 0.00 0.00 175.22 172.31 1qlr s SER 79 N -3.03 -0.31 0.00 1.98 1.04 -0.14 -1.83 113.70 111.41 1qlr s SER 79 Ca 0.23 -0.44 0.08 0.00 0.48 0.00 0.00 55.95 56.31 1qlr s SER 79 Cb 0.06 0.62 -0.02 0.00 0.10 0.00 0.00 66.02 66.78 1qlr s SER 79 CO 0.02 -1.11 -0.25 -0.22 0.98 0.00 0.00 173.24 172.67 1qlr s LEU 80 N -2.87 2.09 -0.08 2.42 2.96 -0.68 -1.48 118.68 121.05 1qlr s LEU 80 Ca 0.09 -0.49 -0.00 0.00 -0.22 0.00 0.00 54.13 53.51 1qlr s LEU 80 Cb -0.02 -1.25 0.02 0.00 0.50 0.00 0.00 46.19 45.44 1qlr s LEU 80 CO -0.02 0.28 -0.05 -0.54 -1.32 0.00 0.00 176.35 174.70 1qlr s LYS 81 N -0.79 1.09 -0.22 1.98 1.02 -0.42 -1.81 119.74 120.59 1qlr s LYS 81 Ca 0.10 -0.12 -0.01 0.00 0.02 0.00 0.00 55.97 55.96 1qlr s LYS 81 Cb -0.10 -1.19 0.06 0.00 -0.52 0.00 0.00 37.83 36.09 1qlr s LYS 81 CO 0.00 -0.20 -0.00 -1.17 -0.92 0.00 0.00 175.35 173.06 1qlr s LEU 82 N 1.47 1.89 0.46 3.17 2.96 -0.71 -1.03 118.68 126.89 1qlr s LEU 82 Ca -0.01 -1.03 -0.02 0.00 -0.22 0.00 0.00 54.13 52.85 1qlr s LEU 82 Cb -0.13 -0.88 -0.02 0.00 0.50 0.00 0.00 46.19 45.65 1qlr s LEU 82 CO -0.04 -0.28 0.71 -0.94 -1.32 0.00 0.00 176.35 174.48 1qlr s SER 83 N 1.63 6.04 -1.09 3.68 1.04 -0.64 -1.17 113.70 123.19 1qlr s SER 83 Ca -0.03 0.58 -0.14 0.00 0.48 0.00 0.00 55.95 56.85 1qlr s SER 83 Cb -0.18 -1.89 -0.04 0.00 0.10 0.00 0.00 66.02 64.01 1qlr s SER 83 CO -0.08 -0.62 0.85 -1.20 0.98 0.00 0.00 173.24 173.17 1qlr n SER 84 N -2.14 -6.01 -4.65 7.02 7.64 -1.16 -4.91 113.62 109.42 1qlr n SER 84 Ca 0.00 -0.85 -0.29 0.00 1.01 0.00 0.00 58.87 58.74 1qlr n SER 84 Cb 0.57 -4.26 0.18 0.00 -1.01 0.00 0.00 64.21 59.69 1qlr n SER 84 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1qlr s VAL 85 N -3.41 2.25 0.31 0.44 -7.23 -0.94 -4.60 120.40 107.22 1qlr s VAL 85 Ca 0.46 0.08 0.03 0.00 -1.81 0.00 0.00 61.98 60.74 1qlr s VAL 85 Cb -0.11 -2.45 -0.02 0.00 0.56 0.00 0.00 36.38 34.35 1qlr s VAL 85 CO 0.80 -0.10 0.32 0.42 -0.31 0.00 0.00 175.10 176.22 1qlr s THR 86 N -2.83 0.00 -0.36 5.32 -4.23 -1.26 -1.41 115.64 110.87 1qlr s THR 86 Ca 0.65 -1.88 0.22 0.00 -1.18 0.00 0.00 61.69 59.50 1qlr s THR 86 Cb -0.20 -2.53 0.22 0.00 1.34 0.00 0.00 72.50 71.33 1qlr s THR 86 CO 0.59 0.00 1.66 0.00 -0.54 0.00 0.00 174.62 176.33 1qlr n ALA 87 N -0.55 1.31 1.06 3.99 0.00 -1.26 -1.05 120.51 124.01 1qlr n ALA 87 Ca 0.05 0.14 0.13 0.00 0.00 0.00 0.00 53.44 53.76 1qlr n ALA 87 Cb 0.63 -1.33 0.61 0.00 0.00 0.00 0.00 19.45 19.36 1qlr n ALA 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qlr n ALA 88 N -1.76 2.28 1.39 0.00 0.00 -1.26 -2.92 120.51 118.22 1qlr n ALA 88 Ca 0.00 -0.11 0.14 0.00 0.00 0.00 0.00 53.44 53.47 1qlr n ALA 88 Cb 0.12 -1.44 0.52 0.00 0.00 0.00 0.00 19.45 18.65 1qlr n ALA 88 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1qlr n ASP 89 N -1.42 0.82 -4.75 0.00 8.00 -0.21 -4.89 116.55 114.09 1qlr n ASP 89 Ca 0.09 -0.86 -0.41 0.00 0.71 0.00 0.00 54.79 54.32 1qlr n ASP 89 Cb 0.28 0.02 -0.02 0.00 -0.02 0.00 0.00 41.12 41.38 1qlr n ASP 89 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1qlr s THR 90 N -2.39 2.25 0.00 -3.53 2.01 -1.15 -4.92 115.64 107.92 1qlr s THR 90 Ca 0.29 0.22 0.00 0.00 0.31 0.00 0.00 61.69 62.51 1qlr s THR 90 Cb 0.20 -3.14 0.00 0.00 0.01 0.00 0.00 72.50 69.57 1qlr s THR 90 CO 0.47 0.04 0.00 0.00 -0.69 0.00 0.00 174.62 174.43 1qlr n ALA 91 N 1.97 0.00 -2.68 7.40 0.00 -0.93 -4.55 120.51 121.71 1qlr n ALA 91 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.11 1qlr n ALA 91 Cb 0.39 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.78 1qlr n ALA 91 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1qlr s VAL 92 N -2.00 5.09 -0.14 0.00 1.01 -0.63 -1.90 120.40 121.84 1qlr s VAL 92 Ca 0.00 1.08 -0.07 0.00 0.00 0.00 0.00 61.98 62.99 1qlr s VAL 92 Cb 0.00 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 1qlr s VAL 92 CO 0.00 0.20 0.12 -0.31 0.00 0.00 0.00 175.10 175.12 1qlr s TYR 93 N 1.35 3.50 0.18 5.22 1.51 0.01 -1.57 117.35 127.56 1qlr s TYR 93 Ca 0.28 0.43 0.08 0.00 -1.01 0.00 0.00 57.07 56.85 1qlr s TYR 93 Cb -0.16 -1.99 -0.04 0.00 -0.11 0.00 0.00 41.96 39.66 1qlr s TYR 93 CO 0.11 0.58 -0.17 0.71 -1.11 0.00 0.00 175.55 175.67 1qlr s TYR 94 N -0.59 1.80 0.23 2.71 2.02 -0.81 -1.44 117.35 121.27 1qlr s TYR 94 Ca 0.12 -0.50 0.10 0.00 -0.37 0.00 0.00 57.07 56.43 1qlr s TYR 94 Cb -0.12 -0.87 -0.04 0.00 -0.40 0.00 0.00 41.96 40.53 1qlr s TYR 94 CO 0.02 0.36 -0.12 0.00 -1.57 0.00 0.00 175.55 174.24 1qlr s ALA 96 N -2.09 -1.21 0.00 0.00 0.00 -0.94 0.43 121.76 117.94 1qlr s ALA 96 Ca 0.28 0.15 0.01 0.00 0.00 0.00 0.00 51.96 52.40 1qlr s ALA 96 Cb -0.07 0.79 -0.00 0.00 0.00 0.00 0.00 23.12 23.84 1qlr s ALA 96 CO 0.16 -0.72 -0.03 0.50 0.00 0.00 0.00 175.76 175.67 1qlr s ARG 97 N -3.79 0.22 0.77 0.00 3.00 0.17 -1.96 118.95 117.36 1qlr s ARG 97 Ca 0.03 -0.17 -0.11 0.00 -1.00 0.00 0.00 55.73 54.48 1qlr s ARG 97 Cb 0.00 -0.16 0.06 0.00 0.00 0.00 0.00 34.95 34.85 1qlr s ARG 97 CO -0.11 0.04 1.08 -1.25 0.00 0.00 0.00 175.30 175.06 1qlr s PRO 98 N -0.27 2.28 0.39 5.12 0.04 -1.25 -2.28 135.00 139.03 1qlr s PRO 98 Ca -0.01 0.97 0.19 0.00 0.04 0.00 0.00 61.00 62.18 1qlr s PRO 98 Cb -0.02 -1.91 0.77 0.00 0.04 0.00 0.00 34.50 33.38 1qlr s PRO 98 CO -0.00 -1.57 1.78 -1.00 0.04 0.00 0.00 177.00 176.25 1qlr h PRO 99 N -1.07 0.00 -4.38 0.56 0.13 -1.87 -3.45 132.00 121.93 1qlr h PRO 99 Ca -0.45 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.49 1qlr h PRO 99 Cb 1.24 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.23 1qlr h PRO 99 CO 0.55 0.35 -0.54 -1.01 -0.23 0.00 0.00 178.00 177.12 1qlr s HIS 100 N -3.76 0.93 -0.17 1.56 3.76 -1.26 -5.06 115.29 111.29 1qlr s HIS 100 Ca -0.01 -1.22 0.17 0.00 -0.15 0.00 0.00 55.06 53.85 1qlr s HIS 100 Cb 0.12 -0.41 0.16 0.00 1.11 0.00 0.00 32.58 33.56 1qlr s HIS 100 CO 0.68 -0.67 1.49 0.38 -0.85 0.00 0.00 174.74 175.78 1qlr h ASP 101 N 2.62 0.00 -0.33 1.40 2.03 -1.92 -3.37 116.42 116.85 1qlr h ASP 101 Ca -0.34 0.00 -0.24 0.00 -0.73 0.00 0.00 57.03 55.72 1qlr h ASP 101 Cb 1.24 0.00 -0.18 0.00 -0.83 0.00 0.00 39.33 39.56 1qlr h ASP 101 CO 0.52 0.42 -0.60 1.07 -1.03 0.00 0.00 179.24 179.62 1qlr n THR 102 N -3.22 2.37 -3.30 1.15 5.66 -1.26 -4.89 114.28 110.79 1qlr n THR 102 Ca 0.02 -3.62 0.00 0.00 -3.05 0.00 0.00 64.05 57.40 1qlr n THR 102 Cb 0.69 -0.62 0.00 0.00 -1.55 0.00 0.00 70.33 68.85 1qlr n THR 102 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1qlr n SER 103 N -0.95 0.00 -4.70 1.09 7.64 -1.26 -5.12 113.62 110.32 1qlr n SER 103 Ca 0.30 -0.60 -0.38 0.00 1.01 0.00 0.00 58.87 59.20 1qlr n SER 103 Cb 0.82 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 64.07 1qlr n SER 103 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1qlr n GLY 104 N 0.00 0.33 3.01 0.23 0.00 -1.26 -4.87 105.19 102.63 1qlr n GLY 104 Ca 0.00 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 1qlr n GLY 104 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1qlr n HIS 105 N -1.54 3.90 -4.44 1.61 -0.00 -1.26 -4.80 115.22 108.70 1qlr n HIS 105 Ca 0.13 -2.93 -0.24 0.00 -0.00 0.00 0.00 57.72 54.68 1qlr n HIS 105 Cb 0.46 -2.58 -0.09 0.00 -0.00 0.00 0.00 29.99 27.78 1qlr n HIS 105 CO 0.00 0.00 0.00 1.52 -0.00 0.00 0.00 176.34 177.86 1qlr s TYR 106 N 3.56 2.42 -0.16 4.41 1.13 -1.26 -5.05 117.35 122.40 1qlr s TYR 106 Ca 0.49 -0.37 0.01 0.00 -1.41 0.00 0.00 57.07 55.79 1qlr s TYR 106 Cb 0.11 -1.20 0.02 0.00 -1.10 0.00 0.00 41.96 39.79 1qlr s TYR 106 CO -0.03 0.63 -0.18 -1.58 -2.51 0.00 0.00 175.55 171.87 1qlr s TRP 107 N -2.51 2.51 -0.57 -3.49 0.51 -1.26 -3.90 118.94 110.24 1qlr s TRP 107 Ca 0.32 -1.40 0.17 0.00 -2.12 0.00 0.00 56.10 53.06 1qlr s TRP 107 Cb -0.03 -1.76 -0.20 0.00 -0.81 0.00 0.00 33.47 30.67 1qlr s TRP 107 CO 0.17 -0.70 0.61 0.27 -0.51 0.00 0.00 176.95 176.79 1qlr n ASN 108 N 4.51 0.87 -4.29 2.95 6.94 -0.96 -4.92 115.26 120.36 1qlr n ASN 108 Ca -0.19 -0.64 -0.33 0.00 -0.02 0.00 0.00 54.58 53.39 1qlr n ASN 108 Cb 0.50 1.22 -0.15 0.00 -2.36 0.00 0.00 39.78 39.00 1qlr n ASN 108 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1qlr s TYR 109 N -2.74 2.81 0.09 -2.53 2.02 -1.15 -5.02 117.35 110.83 1qlr s TYR 109 Ca 0.03 -0.95 0.09 0.00 -0.37 0.00 0.00 57.07 55.87 1qlr s TYR 109 Cb 0.12 -1.90 -0.03 0.00 -0.40 0.00 0.00 41.96 39.74 1qlr s TYR 109 CO 0.69 -0.43 -0.24 -1.58 -1.57 0.00 0.00 175.55 172.42 1qlr s TRP 110 N 0.79 2.05 0.88 2.71 0.52 -1.26 -0.65 118.94 123.98 1qlr s TRP 110 Ca -0.05 -0.40 -0.10 0.00 0.02 0.00 0.00 56.10 55.58 1qlr s TRP 110 Cb -0.15 -1.15 0.18 0.00 -1.15 0.00 0.00 33.47 31.20 1qlr s TRP 110 CO 0.01 0.21 1.20 0.20 0.02 0.00 0.00 176.95 178.59 1qlr s GLY 111 N -1.70 1.78 0.22 0.98 0.00 0.17 -4.68 107.32 104.09 1qlr s GLY 111 Ca 0.10 -1.50 0.26 0.00 0.00 0.00 0.00 44.72 43.58 1qlr s GLY 111 CO 0.04 -0.78 1.77 0.61 0.00 0.00 0.00 173.10 174.74 1qlr n GLN 112 N -3.42 0.26 0.00 2.90 -0.00 -1.26 -4.73 117.38 111.13 1qlr n GLN 112 Ca 0.16 0.24 0.00 0.00 -0.00 0.00 0.00 57.00 57.40 1qlr n GLN 112 Cb 0.60 -1.82 0.00 0.00 -0.00 0.00 0.00 30.24 29.02 1qlr n GLN 112 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1qlr n GLY 113 N 1.19 0.03 3.18 2.61 0.00 -1.26 -5.02 105.19 105.92 1qlr n GLY 113 Ca 0.05 -1.44 -0.33 0.00 0.00 0.00 0.00 46.02 44.30 1qlr n GLY 113 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qlr s THR 114 N -1.76 2.27 -0.17 2.61 2.01 -0.52 -4.90 115.64 115.19 1qlr s THR 114 Ca 0.00 -0.89 -0.27 0.00 0.31 0.00 0.00 61.69 60.84 1qlr s THR 114 Cb 0.00 -1.94 -0.01 0.00 0.01 0.00 0.00 72.50 70.56 1qlr s THR 114 CO 0.00 0.53 0.89 -0.22 -0.69 0.00 0.00 174.62 175.14 1qlr s LEU 115 N 1.01 4.18 -0.25 4.42 2.96 -1.26 -0.81 118.68 128.92 1qlr s LEU 115 Ca -0.02 1.27 -0.05 0.00 -0.22 0.00 0.00 54.13 55.10 1qlr s LEU 115 Cb -0.15 -3.34 -0.01 0.00 0.50 0.00 0.00 46.19 43.20 1qlr s LEU 115 CO -0.05 -0.45 0.02 -0.69 -1.32 0.00 0.00 176.35 173.86 1qlr s VAL 116 N 2.29 3.74 -0.12 1.68 1.01 -0.80 -4.65 120.40 123.55 1qlr s VAL 116 Ca 0.41 -0.48 -0.04 0.00 0.00 0.00 0.00 61.98 61.87 1qlr s VAL 116 Cb -0.17 -2.79 -0.03 0.00 0.00 0.00 0.00 36.38 33.39 1qlr s VAL 116 CO 0.12 0.30 0.02 -0.89 0.00 0.00 0.00 175.10 174.66 1qlr s THR 117 N 1.51 4.47 -0.27 3.92 2.01 0.23 -2.18 115.64 125.34 1qlr s THR 117 Ca 0.05 -0.17 -0.01 0.00 0.31 0.00 0.00 61.69 61.86 1qlr s THR 117 Cb -0.15 -2.93 0.04 0.00 0.01 0.00 0.00 72.50 69.46 1qlr s THR 117 CO -0.00 0.56 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.76 1qlr s VAL 118 N -0.42 2.87 0.19 3.82 1.01 -1.26 -2.12 120.40 124.48 1qlr s VAL 118 Ca 0.08 -1.22 -0.03 0.00 0.00 0.00 0.00 61.98 60.82 1qlr s VAL 118 Cb -0.12 -2.55 -0.04 0.00 0.00 0.00 0.00 36.38 33.67 1qlr s VAL 118 CO 0.02 0.05 0.16 -0.55 0.00 0.00 0.00 175.10 174.78 1qlr s SER 119 N 1.28 0.15 0.00 3.32 0.15 -0.51 -4.45 113.70 113.64 1qlr s SER 119 Ca -0.03 -1.28 0.23 0.00 0.70 0.00 0.00 55.95 55.57 1qlr s SER 119 Cb -0.18 0.38 0.08 0.00 -1.71 0.00 0.00 66.02 64.60 1qlr s SER 119 CO -0.03 -0.85 1.14 -1.54 1.20 0.00 0.00 173.24 173.16 1qlr n SER 120 N -0.24 1.74 -3.46 5.45 3.41 -1.26 -3.97 113.62 115.29 1qlr n SER 120 Ca -0.00 -1.34 0.00 0.00 -0.26 0.00 0.00 58.87 57.26 1qlr n SER 120 Cb 0.65 0.49 0.00 0.00 -0.26 0.00 0.00 64.21 65.09 1qlr n SER 120 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1qlr n GLY 121 N 1.42 -1.29 3.52 5.00 0.00 -1.26 -5.04 105.19 107.54 1qlr n GLY 121 Ca 0.09 -1.32 -0.14 0.00 0.00 0.00 0.00 46.02 44.65 1qlr n GLY 121 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qlr s SER 122 N -1.46 -0.64 0.43 1.61 0.01 -1.26 -5.06 113.70 107.33 1qlr s SER 122 Ca 0.00 1.18 -0.19 0.00 1.31 0.00 0.00 55.95 58.25 1qlr s SER 122 Cb 0.00 1.19 -0.15 0.00 0.21 0.00 0.00 66.02 67.27 1qlr s SER 122 CO 0.00 -0.25 -0.01 0.00 0.41 0.00 0.00 173.24 173.39 1qlr n ALA 123 N 2.55 -2.95 -3.58 1.44 0.00 -1.26 -4.77 120.51 111.94 1qlr n ALA 123 Ca -0.14 0.04 -0.12 0.00 0.00 0.00 0.00 53.44 53.22 1qlr n ALA 123 Cb 0.56 -1.38 -0.06 0.00 0.00 0.00 0.00 19.45 18.57 1qlr n ALA 123 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1qlr s SER 124 N -0.95 -0.46 0.59 0.00 1.04 -0.41 -4.90 113.70 108.59 1qlr s SER 124 Ca 0.55 0.61 -0.10 0.00 0.48 0.00 0.00 55.95 57.49 1qlr s SER 124 Cb -0.55 0.52 -0.04 0.00 0.10 0.00 0.00 66.02 66.05 1qlr s SER 124 CO 0.61 -0.36 0.98 0.00 0.98 0.00 0.00 173.24 175.45 1qlr s ALA 125 N -0.80 3.16 0.71 5.32 0.00 -1.26 -2.30 121.76 126.59 1qlr s ALA 125 Ca -0.03 -0.16 -0.14 0.00 0.00 0.00 0.00 51.96 51.64 1qlr s ALA 125 Cb -0.01 -2.98 0.03 0.00 0.00 0.00 0.00 23.12 20.15 1qlr s ALA 125 CO 0.02 -0.60 1.12 -1.25 0.00 0.00 0.00 175.76 175.04 1qlr s PRO 126 N -5.05 2.48 -0.10 0.00 0.04 -1.26 -4.50 135.00 126.62 1qlr s PRO 126 Ca 0.54 1.39 0.00 0.00 0.04 0.00 0.00 61.00 62.97 1qlr s PRO 126 Cb -0.11 -1.91 -0.02 0.00 0.04 0.00 0.00 34.50 32.50 1qlr s PRO 126 CO 0.51 -1.50 -0.10 -0.08 0.04 0.00 0.00 177.00 175.87 1qlr s THR 127 N -2.46 3.37 -0.16 1.26 -1.32 -0.63 -4.87 115.64 110.84 1qlr s THR 127 Ca 0.66 -0.57 -0.03 0.00 -1.21 0.00 0.00 61.69 60.53 1qlr s THR 127 Cb -0.21 -2.40 -0.03 0.00 -1.51 0.00 0.00 72.50 68.36 1qlr s THR 127 CO 0.47 0.55 -0.04 -0.76 -2.21 0.00 0.00 174.62 172.62 1qlr s LEU 128 N -0.18 3.20 0.12 9.08 1.43 -1.26 -1.21 118.68 129.86 1qlr s LEU 128 Ca 0.01 -0.16 0.09 0.00 -1.03 0.00 0.00 54.13 53.05 1qlr s LEU 128 Cb -0.13 -1.77 -0.04 0.00 0.03 0.00 0.00 46.19 44.28 1qlr s LEU 128 CO 0.03 0.16 -0.22 -0.36 0.23 0.00 0.00 176.35 176.19 1qlr s PHE 129 N 0.43 1.95 0.69 0.29 0.08 -0.89 -4.97 117.98 115.55 1qlr s PHE 129 Ca -0.04 -0.41 -0.07 0.00 0.12 0.00 0.00 56.93 56.52 1qlr s PHE 129 Cb -0.14 -1.04 0.04 0.00 -0.57 0.00 0.00 43.02 41.31 1qlr s PHE 129 CO 0.03 0.28 1.01 -1.25 -0.10 0.00 0.00 175.22 175.19 1qlr s PRO 130 N -2.13 2.42 -0.21 0.24 0.04 -1.26 -1.19 135.00 132.92 1qlr s PRO 130 Ca 0.11 -0.08 -0.02 0.00 0.04 0.00 0.00 61.00 61.04 1qlr s PRO 130 Cb -0.09 -2.16 0.06 0.00 0.04 0.00 0.00 34.50 32.35 1qlr s PRO 130 CO 0.05 -1.12 0.02 -0.51 0.04 0.00 0.00 177.00 175.48 1qlr s LEU 131 N -5.23 1.55 0.03 -3.56 1.43 0.59 -4.77 118.68 108.73 1qlr s LEU 131 Ca 0.58 -0.94 0.07 0.00 -1.03 0.00 0.00 54.13 52.81 1qlr s LEU 131 Cb -0.11 -0.74 -0.03 0.00 0.03 0.00 0.00 46.19 45.34 1qlr s LEU 131 CO 0.46 -0.29 -0.18 -0.69 0.23 0.00 0.00 176.35 175.88 1qlr s VAL 132 N 1.74 2.82 0.41 -1.59 1.01 -1.26 -1.50 120.40 122.03 1qlr s VAL 132 Ca -0.02 -1.12 -0.24 0.00 0.00 0.00 0.00 61.98 60.61 1qlr s VAL 132 Cb -0.18 -2.17 -0.09 0.00 0.00 0.00 0.00 36.38 33.95 1qlr s VAL 132 CO -0.08 0.38 1.08 -0.55 0.00 0.00 0.00 175.10 175.92 1qlr s SER 133 N -1.32 6.65 -0.08 3.32 0.15 -1.26 -5.04 113.70 116.12 1qlr s SER 133 Ca 0.14 2.11 0.06 0.00 0.70 0.00 0.00 55.95 58.96 1qlr s SER 133 Cb -0.10 -2.59 0.30 0.00 -1.71 0.00 0.00 66.02 61.92 1qlr s SER 133 CO 0.05 -0.57 1.00 0.00 1.20 0.00 0.00 173.24 174.91 1qlr s VAL 144 N -1.66 0.10 -0.11 0.00 0.11 0.87 -5.22 120.40 114.50 1qlr s VAL 144 Ca 0.20 -0.85 0.01 0.00 -2.93 0.00 0.00 61.98 58.41 1qlr s VAL 144 Cb 0.15 -1.12 0.02 0.00 -1.53 0.00 0.00 36.38 33.90 1qlr s VAL 144 CO 0.07 -0.47 -0.11 0.00 -3.33 0.00 0.00 175.10 171.26 1qlr s ALA 145 N -3.24 1.45 0.15 1.54 0.00 -1.26 0.24 121.76 120.64 1qlr s ALA 145 Ca -0.00 -0.60 0.08 0.00 0.00 0.00 0.00 51.96 51.44 1qlr s ALA 145 Cb 0.02 -0.84 -0.04 0.00 0.00 0.00 0.00 23.12 22.25 1qlr s ALA 145 CO -0.08 -0.24 -0.18 0.54 0.00 0.00 0.00 175.76 175.80 1qlr s VAL 146 N 1.32 1.73 0.32 0.00 0.11 -0.72 -4.20 120.40 118.96 1qlr s VAL 146 Ca -0.01 -1.81 -0.01 0.00 -2.93 0.00 0.00 61.98 57.23 1qlr s VAL 146 Cb -0.14 -1.74 -0.01 0.00 -1.53 0.00 0.00 36.38 32.97 1qlr s VAL 146 CO -0.05 -0.27 0.38 -0.83 -3.33 0.00 0.00 175.10 171.00 1qlr s GLY 147 N -2.47 1.63 -0.03 6.54 0.00 -0.56 -0.07 107.32 112.37 1qlr s GLY 147 Ca 0.13 -1.64 -0.03 0.00 0.00 0.00 0.00 44.72 43.18 1qlr s GLY 147 CO 0.06 -1.14 0.08 0.00 0.00 0.00 0.00 173.10 172.10 1qlr s LEU 149 N -0.18 1.97 -0.22 0.00 0.20 -0.33 -2.27 118.68 117.85 1qlr s LEU 149 Ca -0.02 -0.59 -0.10 0.00 0.69 0.00 0.00 54.13 54.11 1qlr s LEU 149 Cb -0.02 -1.37 -0.05 0.00 -0.43 0.00 0.00 46.19 44.32 1qlr s LEU 149 CO 0.00 -0.02 0.13 0.00 -0.29 0.00 0.00 176.35 176.17 1qlr s ALA 150 N 1.36 3.54 0.12 5.97 0.00 -0.31 -2.10 121.76 130.33 1qlr s ALA 150 Ca 0.05 -0.86 0.03 0.00 0.00 0.00 0.00 51.96 51.18 1qlr s ALA 150 Cb -0.13 -2.20 -0.04 0.00 0.00 0.00 0.00 23.12 20.75 1qlr s ALA 150 CO -0.12 -0.10 -0.07 -1.14 0.00 0.00 0.00 175.76 174.33 1qlr s GLN 151 N 0.88 0.93 -1.44 0.00 0.74 -0.35 -1.31 119.66 119.11 1qlr s GLN 151 Ca 0.06 -1.39 -0.07 0.00 0.05 0.00 0.00 55.36 54.02 1qlr s GLN 151 Cb -0.13 -0.34 0.05 0.00 1.10 0.00 0.00 33.01 33.68 1qlr s GLN 151 CO 0.03 0.00 0.79 -0.25 -0.55 0.00 0.00 175.29 175.31 1qlr n ASP 152 N -0.11 -2.74 -4.76 6.67 8.00 -1.09 -1.60 116.55 120.93 1qlr n ASP 152 Ca -0.11 -0.83 -0.26 0.00 0.71 0.00 0.00 54.79 54.29 1qlr n ASP 152 Cb 0.61 -3.80 -0.06 0.00 -0.02 0.00 0.00 41.12 37.85 1qlr n ASP 152 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1qlr s PHE 153 N -3.53 3.05 -0.29 1.24 -0.12 -1.04 -4.63 117.98 112.67 1qlr s PHE 153 Ca 0.32 -0.06 -0.18 0.00 -0.05 0.00 0.00 56.93 56.97 1qlr s PHE 153 Cb -0.16 -1.46 0.13 0.00 -0.63 0.00 0.00 43.02 40.89 1qlr s PHE 153 CO 0.83 0.52 0.92 -1.17 -0.05 0.00 0.00 175.22 176.27 1qlr s LEU 154 N -3.10 -0.60 0.00 -1.99 2.96 -0.97 -1.46 118.68 113.52 1qlr s LEU 154 Ca 0.30 0.99 -0.18 0.00 -0.22 0.00 0.00 54.13 55.02 1qlr s LEU 154 Cb -0.10 1.92 0.25 0.00 0.50 0.00 0.00 46.19 48.77 1qlr s LEU 154 CO 0.22 -0.16 1.15 -0.81 -1.32 0.00 0.00 176.35 175.43 1qlr n PRO 155 N 3.57 -2.19 -2.62 0.98 -0.04 -1.26 -1.29 135.00 132.15 1qlr n PRO 155 Ca -0.18 -1.80 -0.43 0.00 -0.04 0.00 0.00 63.50 61.05 1qlr n PRO 155 Cb 0.58 -1.44 -0.00 0.00 -0.04 0.00 0.00 33.50 32.60 1qlr n PRO 155 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1qlr s ASP 156 N -4.94 6.85 -0.36 3.54 2.15 -1.26 -4.81 116.67 117.85 1qlr s ASP 156 Ca 0.70 -2.47 0.00 0.00 0.43 0.00 0.00 52.55 51.21 1qlr s ASP 156 Cb -0.04 -2.56 0.14 0.00 -0.30 0.00 0.00 42.92 40.16 1qlr s ASP 156 CO 0.51 -1.14 0.23 -0.44 -0.17 0.00 0.00 175.17 174.16 1qlr s SER 157 N 4.11 2.79 0.25 -0.34 0.01 -1.26 -5.14 113.70 114.11 1qlr s SER 157 Ca 0.52 -2.29 0.11 0.00 1.31 0.00 0.00 55.95 55.60 1qlr s SER 157 Cb 0.03 -0.40 -0.05 0.00 0.21 0.00 0.00 66.02 65.82 1qlr s SER 157 CO 0.06 -0.29 -0.12 -0.51 0.41 0.00 0.00 173.24 172.79 1qlr s ILE 158 N 0.96 2.90 0.00 1.44 -1.16 -1.26 -4.42 121.20 119.66 1qlr s ILE 158 Ca 0.20 -2.07 -0.01 0.00 -0.51 0.00 0.00 60.65 58.26 1qlr s ILE 158 Cb -0.20 -2.50 -0.00 0.00 0.61 0.00 0.00 42.46 40.37 1qlr s ILE 158 CO -0.01 -0.30 0.01 -0.89 -2.81 0.00 0.00 174.94 170.94 1qlr s THR 159 N -2.19 0.04 0.10 4.00 2.01 -0.90 -4.94 115.64 113.76 1qlr s THR 159 Ca 0.28 -0.33 0.08 0.00 0.31 0.00 0.00 61.69 62.04 1qlr s THR 159 Cb -0.07 -0.13 -0.03 0.00 0.01 0.00 0.00 72.50 72.28 1qlr s THR 159 CO 0.16 -0.18 -0.21 -0.36 -0.69 0.00 0.00 174.62 173.34 1qlr s PHE 160 N -0.53 1.83 -0.10 4.92 0.40 -1.26 -1.44 117.98 121.80 1qlr s PHE 160 Ca -0.06 -0.41 -0.23 0.00 -0.60 0.00 0.00 56.93 55.63 1qlr s PHE 160 Cb -0.04 -1.00 0.05 0.00 0.51 0.00 0.00 43.02 42.54 1qlr s PHE 160 CO -0.00 0.21 0.54 -1.54 0.70 0.00 0.00 175.22 175.13 1qlr s SER 161 N -1.88 -0.51 0.04 1.36 1.04 -0.09 -5.00 113.70 108.66 1qlr s SER 161 Ca 0.07 0.71 0.09 0.00 0.48 0.00 0.00 55.95 57.30 1qlr s SER 161 Cb -0.10 0.70 -0.03 0.00 0.10 0.00 0.00 66.02 66.70 1qlr s SER 161 CO 0.04 -0.42 -0.26 0.26 0.98 0.00 0.00 173.24 173.84 1qlr s TRP 162 N -0.69 2.31 0.04 5.02 0.52 -1.26 -0.69 118.94 124.19 1qlr s TRP 162 Ca -0.08 -0.41 -0.01 0.00 0.02 0.00 0.00 56.10 55.62 1qlr s TRP 162 Cb -0.03 -1.39 -0.03 0.00 -1.15 0.00 0.00 33.47 30.87 1qlr s TRP 162 CO 0.05 0.11 -0.03 0.15 0.02 0.00 0.00 176.95 177.25 1qlr s LYS 163 N -1.19 0.50 0.91 4.98 1.02 0.14 -1.81 119.74 124.30 1qlr s LYS 163 Ca 0.11 -0.98 -0.13 0.00 0.02 0.00 0.00 55.97 54.99 1qlr s LYS 163 Cb -0.10 0.16 0.18 0.00 -0.52 0.00 0.00 37.83 37.56 1qlr s LYS 163 CO 0.02 -0.08 1.26 0.71 -0.92 0.00 0.00 175.35 176.33 1qlr s TYR 164 N -2.96 1.63 0.07 3.18 2.02 -1.10 0.03 117.35 120.23 1qlr s TYR 164 Ca -0.02 0.22 -0.34 0.00 -0.37 0.00 0.00 57.07 56.55 1qlr s TYR 164 Cb 0.01 -3.89 -0.18 0.00 -0.40 0.00 0.00 41.96 37.50 1qlr s TYR 164 CO -0.06 -2.45 1.52 -0.22 -1.57 0.00 0.00 175.55 172.77 1qlr h LYS 165 N -1.42 -1.06 -5.23 -0.62 3.64 -1.92 -3.34 116.57 106.62 1qlr h LYS 165 Ca -0.43 0.07 -0.06 0.00 -1.27 0.00 0.00 60.65 58.96 1qlr h LYS 165 Cb 1.24 0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 33.28 1qlr h LYS 165 CO 0.39 -0.71 0.38 0.27 -2.27 0.00 0.00 179.45 177.52 1qlr n ASN 166 N -5.37 1.03 -2.39 4.20 6.94 -1.26 -4.72 115.26 113.69 1qlr n ASN 166 Ca -0.13 -1.49 -0.34 0.00 -0.02 0.00 0.00 54.58 52.59 1qlr n ASN 166 Cb 0.47 -1.44 -0.05 0.00 -2.36 0.00 0.00 39.78 36.39 1qlr n ASN 166 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1qlr n ASN 167 N 16.19 0.60 0.00 0.53 3.02 -1.26 -4.77 115.26 129.58 1qlr n ASN 167 Ca 0.48 0.59 0.00 0.00 -0.03 0.00 0.00 54.58 55.62 1qlr n ASN 167 Cb 0.39 -0.44 0.00 0.00 -0.61 0.00 0.00 39.78 39.12 1qlr n ASN 167 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1qlr n SER 168 N 2.07 0.00 -4.87 6.41 3.41 -1.26 -5.00 113.62 114.38 1qlr n SER 168 Ca 0.16 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.41 1qlr n SER 168 Cb -0.03 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.86 1qlr n SER 168 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1qlr s ASP 169 N 0.00 6.29 0.36 4.04 1.11 -1.26 -2.70 116.67 124.51 1qlr s ASP 169 Ca 0.00 0.41 -0.13 0.00 0.18 0.00 0.00 52.55 53.01 1qlr s ASP 169 Cb 0.00 -2.00 -0.08 0.00 1.07 0.00 0.00 42.92 41.91 1qlr s ASP 169 CO 0.00 0.37 0.76 -0.63 1.18 0.00 0.00 175.17 176.85 1qlr s ILE 170 N -1.09 4.71 0.00 0.77 1.01 -0.75 -4.87 121.20 120.99 1qlr s ILE 170 Ca 0.18 0.83 0.00 0.00 0.00 0.00 0.00 60.65 61.66 1qlr s ILE 170 Cb -0.12 -3.66 0.00 0.00 0.01 0.00 0.00 42.46 38.69 1qlr s ILE 170 CO 0.07 -0.33 0.00 -1.54 0.00 0.00 0.00 174.94 173.15 1qlr n SER 171 N -0.76 0.22 -4.52 3.58 3.41 -1.26 -4.72 113.62 109.57 1qlr n SER 171 Ca 0.03 -0.10 -0.43 0.00 -0.26 0.00 0.00 58.87 58.11 1qlr n SER 171 Cb 0.53 0.24 0.00 0.00 -0.26 0.00 0.00 64.21 64.72 1qlr n SER 171 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1qlr n SER 172 N -0.26 4.91 -4.30 4.04 3.41 -1.26 -4.88 113.62 115.29 1qlr n SER 172 Ca 0.00 -2.92 -0.20 0.00 -0.26 0.00 0.00 58.87 55.49 1qlr n SER 172 Cb 0.00 -1.73 -0.11 0.00 -0.26 0.00 0.00 64.21 62.11 1qlr n SER 172 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1qlr s THR 173 N 3.90 1.61 -0.28 6.66 2.01 -1.26 -1.89 115.64 126.39 1qlr s THR 173 Ca 0.53 -1.85 -0.15 0.00 0.31 0.00 0.00 61.69 60.53 1qlr s THR 173 Cb 0.04 -1.72 0.09 0.00 0.01 0.00 0.00 72.50 70.92 1qlr s THR 173 CO 0.06 -0.37 0.70 -0.60 -0.69 0.00 0.00 174.62 173.72 1qlr s ARG 174 N -2.78 0.66 -0.00 4.92 6.06 -0.50 -4.99 118.95 122.32 1qlr s ARG 174 Ca 0.13 1.25 0.05 0.00 -2.50 0.00 0.00 55.73 54.66 1qlr s ARG 174 Cb -0.05 0.30 -0.01 0.00 0.06 0.00 0.00 34.95 35.24 1qlr s ARG 174 CO 0.05 -0.16 -0.15 0.20 -2.50 0.00 0.00 175.30 172.74 1qlr s GLY 175 N 1.91 0.77 0.14 8.12 0.00 -1.26 -0.18 107.32 116.81 1qlr s GLY 175 Ca -0.09 -0.70 0.08 0.00 0.00 0.00 0.00 44.72 44.01 1qlr s GLY 175 CO -0.20 -0.61 -0.09 -1.36 0.00 0.00 0.00 173.10 170.84 1qlr s PHE 176 N -0.46 2.69 0.85 1.90 0.40 -1.20 -5.06 117.98 117.10 1qlr s PHE 176 Ca 0.05 -0.19 -0.11 0.00 -0.60 0.00 0.00 56.93 56.09 1qlr s PHE 176 Cb -0.06 -1.36 0.11 0.00 0.51 0.00 0.00 43.02 42.21 1qlr s PHE 176 CO -0.00 0.47 1.14 -2.14 0.70 0.00 0.00 175.22 175.38 1qlr s PRO 177 N -2.53 1.52 0.61 0.24 0.02 -1.26 -4.51 135.00 129.10 1qlr s PRO 177 Ca 0.23 1.45 -0.12 0.00 0.02 0.00 0.00 61.00 62.58 1qlr s PRO 177 Cb -0.10 -1.79 -0.04 0.00 0.02 0.00 0.00 34.50 32.59 1qlr s PRO 177 CO 0.14 -2.24 1.03 -1.12 -0.33 0.00 0.00 177.00 174.48 1qlr s SER 178 N -2.83 6.18 0.08 2.53 0.01 -1.26 -4.76 113.70 113.64 1qlr s SER 178 Ca 0.66 1.49 0.09 0.00 1.31 0.00 0.00 55.95 59.50 1qlr s SER 178 Cb -0.22 -2.48 -0.03 0.00 0.21 0.00 0.00 66.02 63.50 1qlr s SER 178 CO 0.56 -0.90 -0.25 -0.69 0.41 0.00 0.00 173.24 172.37 1qlr s VAL 179 N -3.04 2.03 -0.49 3.43 1.01 -0.41 -4.92 120.40 118.01 1qlr s VAL 179 Ca 0.56 -1.49 -0.14 0.00 0.00 0.00 0.00 61.98 60.92 1qlr s VAL 179 Cb -0.11 -1.78 0.11 0.00 0.00 0.00 0.00 36.38 34.60 1qlr s VAL 179 CO 0.50 0.19 0.42 -0.22 0.00 0.00 0.00 175.10 175.98 1qlr s LEU 180 N -1.57 5.83 -0.18 3.92 2.96 -1.26 -0.99 118.68 127.39 1qlr s LEU 180 Ca 0.11 -1.66 0.00 0.00 -0.22 0.00 0.00 54.13 52.37 1qlr s LEU 180 Cb -0.10 -2.14 0.04 0.00 0.50 0.00 0.00 46.19 44.49 1qlr s LEU 180 CO 0.04 -0.73 -0.09 0.00 -1.32 0.00 0.00 176.35 174.24 1qlr s ARG 181 N 1.55 1.86 -0.62 1.98 1.70 -0.65 -4.86 118.95 119.91 1qlr s ARG 181 Ca 0.04 -0.67 -0.01 0.00 -0.47 0.00 0.00 55.73 54.62 1qlr s ARG 181 Cb -0.27 -2.20 -0.01 0.00 -0.57 0.00 0.00 34.95 31.90 1qlr s ARG 181 CO 0.03 -0.39 0.53 0.41 -1.08 0.00 0.00 175.30 174.79 1qlr n GLY 182 N 4.77 -0.04 3.87 3.88 0.00 -1.26 -3.38 105.19 113.03 1qlr n GLY 182 Ca -0.14 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1qlr n GLY 182 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qlr n GLY 183 N -1.14 2.11 3.54 -0.02 0.00 -1.26 -4.95 105.19 103.47 1qlr n GLY 183 Ca -0.12 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.64 1qlr n GLY 183 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qlr s LYS 184 N 0.00 1.86 0.34 1.61 1.02 -1.22 -4.55 119.74 118.81 1qlr s LYS 184 Ca 0.00 -2.10 0.08 0.00 0.02 0.00 0.00 55.97 53.97 1qlr s LYS 184 Cb 0.00 -1.02 -0.07 0.00 -0.52 0.00 0.00 37.83 36.23 1qlr s LYS 184 CO 0.00 -0.28 -0.06 0.71 -0.92 0.00 0.00 175.35 174.80 1qlr s TYR 185 N -3.12 2.32 0.09 3.18 1.51 -0.54 -1.63 117.35 119.16 1qlr s TYR 185 Ca 0.28 -0.59 -0.03 0.00 -1.01 0.00 0.00 57.07 55.71 1qlr s TYR 185 Cb 0.06 -1.40 -0.03 0.00 -0.11 0.00 0.00 41.96 40.48 1qlr s TYR 185 CO 0.14 0.47 0.06 0.00 -1.11 0.00 0.00 175.55 175.10 1qlr s ALA 186 N -2.74 0.46 -0.08 3.71 0.00 -0.16 -2.48 121.76 120.46 1qlr s ALA 186 Ca 0.33 -1.17 -0.30 0.00 0.00 0.00 0.00 51.96 50.82 1qlr s ALA 186 Cb 0.04 0.54 0.11 0.00 0.00 0.00 0.00 23.12 23.81 1qlr s ALA 186 CO 0.16 -0.45 0.88 0.00 0.00 0.00 0.00 175.76 176.35 1qlr s ALA 187 N -3.95 -1.85 0.05 0.00 0.00 -0.42 -1.29 121.76 114.29 1qlr s ALA 187 Ca 0.13 1.33 0.02 0.00 0.00 0.00 0.00 51.96 53.44 1qlr s ALA 187 Cb 0.07 -0.20 -0.03 0.00 0.00 0.00 0.00 23.12 22.96 1qlr s ALA 187 CO -0.06 -0.44 -0.07 0.95 0.00 0.00 0.00 175.76 176.15 1qlr s THR 188 N -1.75 0.52 -0.03 0.00 -4.23 -1.26 -1.16 115.64 107.73 1qlr s THR 188 Ca -0.02 -1.28 -0.02 0.00 -1.18 0.00 0.00 61.69 59.19 1qlr s THR 188 Cb -0.01 -0.84 0.01 0.00 1.34 0.00 0.00 72.50 73.00 1qlr s THR 188 CO 0.00 -0.53 0.07 -0.55 -0.54 0.00 0.00 174.62 173.07 1qlr s SER 189 N -1.94 -0.06 0.11 3.99 0.15 -0.96 -3.25 113.70 111.74 1qlr s SER 189 Ca -0.05 0.13 0.05 0.00 0.70 0.00 0.00 55.95 56.78 1qlr s SER 189 Cb -0.06 0.13 -0.04 0.00 -1.71 0.00 0.00 66.02 64.34 1qlr s SER 189 CO -0.01 -0.03 -0.13 0.00 1.20 0.00 0.00 173.24 174.27 1qlr s GLN 190 N 0.14 0.94 0.10 5.44 -2.07 0.75 -1.62 119.66 123.33 1qlr s GLN 190 Ca -0.01 -1.18 0.10 0.00 -1.82 0.00 0.00 55.36 52.45 1qlr s GLN 190 Cb -0.02 -0.77 -0.04 0.00 -1.09 0.00 0.00 33.01 31.10 1qlr s GLN 190 CO -0.00 0.14 -0.25 0.14 -1.32 0.00 0.00 175.29 174.00 1qlr s VAL 191 N -2.14 2.09 -0.28 3.63 -7.23 0.89 -1.42 120.40 115.95 1qlr s VAL 191 Ca 0.06 -1.61 0.03 0.00 -1.81 0.00 0.00 61.98 58.65 1qlr s VAL 191 Cb -0.05 -1.84 0.07 0.00 0.56 0.00 0.00 36.38 35.12 1qlr s VAL 191 CO 0.02 0.12 -0.05 -0.76 -0.31 0.00 0.00 175.10 174.12 1qlr s LEU 192 N -1.81 3.57 -0.13 1.32 1.02 -0.79 -1.75 118.68 120.10 1qlr s LEU 192 Ca 0.12 -1.55 -0.05 0.00 0.02 0.00 0.00 54.13 52.67 1qlr s LEU 192 Cb -0.10 -1.48 -0.04 0.00 0.02 0.00 0.00 46.19 44.60 1qlr s LEU 192 CO 0.05 -0.25 0.06 -0.76 0.02 0.00 0.00 176.35 175.46 1qlr s LEU 193 N 1.12 3.86 0.07 1.79 1.43 0.14 -4.74 118.68 122.35 1qlr s LEU 193 Ca -0.03 0.20 -0.14 0.00 -1.03 0.00 0.00 54.13 53.13 1qlr s LEU 193 Cb -0.19 -1.93 -0.23 0.00 0.03 0.00 0.00 46.19 43.86 1qlr s LEU 193 CO -0.07 0.32 1.18 1.55 0.23 0.00 0.00 176.35 179.57 1qlr h PRO 194 N 5.63 0.68 0.00 1.29 0.13 -2.00 2.61 132.00 140.34 1qlr h PRO 194 Ca -0.47 -0.73 0.00 0.00 -0.87 0.00 0.00 66.00 63.93 1qlr h PRO 194 Cb 1.19 0.21 0.00 0.00 0.13 0.00 0.00 31.00 32.53 1qlr h PRO 194 CO 0.61 1.31 0.00 0.25 -0.23 0.00 0.00 178.00 179.94 1qlr n THR 202 N -3.89 0.00 -3.37 1.56 -2.24 -1.26 -4.81 114.28 100.27 1qlr n THR 202 Ca -0.11 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.63 1qlr n THR 202 Cb 0.86 -0.36 -0.06 0.00 -2.10 0.00 0.00 70.33 68.67 1qlr n THR 202 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1qlr s ASP 203 N -0.70 -0.43 0.28 3.42 1.01 -1.26 -5.09 116.67 113.90 1qlr s ASP 203 Ca 0.00 0.66 0.17 0.00 0.71 0.00 0.00 52.55 54.08 1qlr s ASP 203 Cb 0.00 1.56 0.90 0.00 1.01 0.00 0.00 42.92 46.39 1qlr s ASP 203 CO 0.00 -0.27 1.48 -0.62 0.21 0.00 0.00 175.17 175.97 1qlr n GLU 204 N 5.39 0.11 -3.25 8.23 1.02 -1.26 -4.86 120.64 126.02 1qlr n GLU 204 Ca -0.04 0.60 0.00 0.00 -0.02 0.00 0.00 57.16 57.69 1qlr n GLU 204 Cb 0.50 -1.94 0.00 0.00 -0.02 0.00 0.00 31.44 29.98 1qlr n GLU 204 CO 0.00 0.00 0.00 -2.39 1.18 0.00 0.00 177.13 175.92 1qlr n HIS 205 N -2.10 0.00 -4.11 -0.32 1.44 -1.26 -4.40 115.22 104.47 1qlr n HIS 205 Ca -0.01 0.00 -0.10 0.00 -2.01 0.00 0.00 57.72 55.59 1qlr n HIS 205 Cb 0.10 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.11 1qlr n HIS 205 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1qlr s VAL 206 N -2.25 0.53 -0.12 0.61 0.11 -0.69 -4.44 120.40 114.16 1qlr s VAL 206 Ca 0.00 -1.62 -0.00 0.00 -2.93 0.00 0.00 61.98 57.43 1qlr s VAL 206 Cb 0.00 -1.27 -0.02 0.00 -1.53 0.00 0.00 36.38 33.56 1qlr s VAL 206 CO 0.00 -0.74 -0.11 -0.69 -3.33 0.00 0.00 175.10 170.23 1qlr s VAL 207 N -2.94 3.22 -0.34 2.04 1.01 0.11 -0.10 120.40 123.39 1qlr s VAL 207 Ca 0.03 -0.61 -0.07 0.00 0.00 0.00 0.00 61.98 61.33 1qlr s VAL 207 Cb 0.01 -2.35 0.04 0.00 0.00 0.00 0.00 36.38 34.07 1qlr s VAL 207 CO -0.04 0.53 0.12 0.00 0.00 0.00 0.00 175.10 175.71 1qlr s LYS 209 N 1.43 3.33 0.05 0.00 1.02 0.13 -2.37 119.74 123.33 1qlr s LYS 209 Ca -0.01 -0.36 0.05 0.00 0.02 0.00 0.00 55.97 55.67 1qlr s LYS 209 Cb -0.19 -2.95 -0.02 0.00 -0.52 0.00 0.00 37.83 34.14 1qlr s LYS 209 CO 0.03 0.58 -0.14 0.14 -0.92 0.00 0.00 175.35 175.05 1qlr s VAL 210 N -0.53 1.10 -0.05 3.17 -7.23 -0.77 -0.91 120.40 115.17 1qlr s VAL 210 Ca 0.10 -1.08 0.06 0.00 -1.81 0.00 0.00 61.98 59.24 1qlr s VAL 210 Cb -0.12 -1.02 -0.01 0.00 0.56 0.00 0.00 36.38 35.79 1qlr s VAL 210 CO 0.02 -0.06 -0.24 -1.10 -0.31 0.00 0.00 175.10 173.41 1qlr s GLN 211 N -1.31 2.50 -0.14 4.82 -0.21 -0.52 -1.90 119.66 122.91 1qlr s GLN 211 Ca 0.00 -0.88 -0.29 0.00 0.02 0.00 0.00 55.36 54.22 1qlr s GLN 211 Cb -0.08 -2.18 0.08 0.00 1.00 0.00 0.00 33.01 31.82 1qlr s GLN 211 CO 0.02 0.43 0.74 -1.58 -2.12 0.00 0.00 175.29 172.77 1qlr s HIS 212 N -0.28 -0.66 0.17 0.91 2.46 -1.21 -2.11 115.29 114.57 1qlr s HIS 212 Ca -0.00 1.33 -0.26 0.00 0.47 0.00 0.00 55.06 56.60 1qlr s HIS 212 Cb -0.13 0.37 0.04 0.00 -0.13 0.00 0.00 32.58 32.73 1qlr s HIS 212 CO 0.03 -0.49 1.56 -1.35 -2.47 0.00 0.00 174.74 172.01 1qlr h PRO 213 N 3.64 -0.16 -0.28 2.88 0.11 -1.93 0.30 132.00 136.57 1qlr h PRO 213 Ca -0.27 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1qlr h PRO 213 Cb 1.15 0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1qlr h PRO 213 CO 0.26 -0.10 0.00 0.09 -0.21 0.00 0.00 178.00 178.04 1qlr n ASN 214 N -5.39 0.28 0.00 -2.05 5.03 -1.26 -4.85 115.26 107.02 1qlr n ASN 214 Ca 0.03 -1.89 0.00 0.00 0.87 0.00 0.00 54.58 53.59 1qlr n ASN 214 Cb 0.34 -0.14 0.00 0.00 -1.02 0.00 0.00 39.78 38.96 1qlr n ASN 214 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1qlr n GLY 215 N 0.32 3.93 3.89 7.41 0.00 0.11 -4.56 105.19 116.29 1qlr n GLY 215 Ca 0.00 -0.38 -0.30 0.00 0.00 0.00 0.00 46.02 45.35 1qlr n GLY 215 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1qlr s ASN 216 N 0.00 6.49 0.06 1.61 -0.87 -1.26 -3.33 114.94 117.64 1qlr s ASN 216 Ca 0.00 0.96 -0.04 0.00 -1.57 0.00 0.00 52.86 52.21 1qlr s ASN 216 Cb 0.00 -2.25 -0.02 0.00 -0.02 0.00 0.00 41.25 38.96 1qlr s ASN 216 CO 0.00 -0.32 0.05 -0.54 -2.57 0.00 0.00 177.10 173.72 1qlr s LYS 217 N -3.74 0.66 0.21 -0.60 -0.14 -0.80 -4.99 119.74 110.34 1qlr s LYS 217 Ca 0.48 -1.06 0.04 0.00 -1.36 0.00 0.00 55.97 54.07 1qlr s LYS 217 Cb -0.10 0.25 -0.05 0.00 -1.68 0.00 0.00 37.83 36.24 1qlr s LYS 217 CO 0.31 -0.16 -0.03 -1.21 -0.76 0.00 0.00 175.35 173.50 1qlr s GLU 218 N -3.64 1.28 -0.28 1.68 2.02 -1.26 -1.85 118.70 116.65 1qlr s GLU 218 Ca 0.04 -1.62 -0.20 0.00 0.02 0.00 0.00 54.97 53.20 1qlr s GLU 218 Cb 0.05 -0.66 0.11 0.00 0.10 0.00 0.00 34.13 33.73 1qlr s GLU 218 CO -0.09 -0.04 0.88 0.21 0.02 0.00 0.00 175.26 176.24 1qlr s LYS 219 N -3.82 0.57 0.23 1.61 2.47 -1.00 -4.97 119.74 114.83 1qlr s LYS 219 Ca 0.25 0.83 -0.15 0.00 -1.56 0.00 0.00 55.97 55.34 1qlr s LYS 219 Cb 0.05 0.20 -0.08 0.00 -1.46 0.00 0.00 37.83 36.54 1qlr s LYS 219 CO 0.07 -0.09 0.65 -0.80 0.16 0.00 0.00 175.35 175.33 1qlr s ASN 220 N 0.90 6.84 -0.25 1.43 0.01 -1.26 -0.48 114.94 122.13 1qlr s ASN 220 Ca -0.04 1.20 0.02 0.00 -0.71 0.00 0.00 52.86 53.33 1qlr s ASN 220 Cb -0.05 -2.34 0.05 0.00 0.41 0.00 0.00 41.25 39.33 1qlr s ASN 220 CO -0.11 -0.03 -0.11 -0.69 -1.51 0.00 0.00 177.10 174.65 1qlr s VAL 221 N -1.68 2.26 -0.34 1.60 1.01 0.85 -4.85 120.40 119.26 1qlr s VAL 221 Ca 0.45 -1.48 -0.35 0.00 0.00 0.00 0.00 61.98 60.60 1qlr s VAL 221 Cb -0.14 -2.26 -0.11 0.00 0.00 0.00 0.00 36.38 33.87 1qlr s VAL 221 CO 0.20 0.06 2.19 -0.81 0.00 0.00 0.00 175.10 176.74 1qlr n PRO 222 N 4.49 1.09 -1.81 2.72 -0.04 -1.26 -1.70 135.00 138.49 1qlr n PRO 222 Ca -0.15 0.30 -0.39 0.00 -0.04 0.00 0.00 63.50 63.21 1qlr n PRO 222 Cb 0.44 -2.47 0.02 0.00 -0.04 0.00 0.00 33.50 31.45 1qlr n PRO 222 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1qlr s LEU 223 N 7.30 4.06 0.46 1.53 1.43 -1.26 -4.88 118.68 127.32 1qlr s LEU 223 Ca 1.09 2.86 0.03 0.00 -1.03 0.00 0.00 54.13 57.09 1qlr s LEU 223 Cb -0.85 -4.01 0.01 0.00 0.03 0.00 0.00 46.19 41.36 1qlr s LEU 223 CO 0.49 -1.25 0.65 -2.16 0.23 0.00 0.00 176.35 174.31 1qlr s PRO 224 N -2.55 2.88 0.00 1.29 0.04 -1.26 -4.85 135.00 130.55 1qlr s PRO 224 Ca 0.63 -0.77 0.00 0.00 0.04 0.00 0.00 61.00 60.90 1qlr s PRO 224 Cb -0.42 -2.61 0.00 0.00 0.04 0.00 0.00 34.50 31.51 1qlr s PRO 224 CO 0.54 -0.35 0.00 1.55 0.04 0.00 0.00 177.00 178.78