#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 0.01 -0.08 2.62 1.01 -1.26 -4.52 120.40 118.17 1qlr s VAL 2 Ca 0.00 -0.08 0.04 0.00 0.00 0.00 0.00 61.98 61.93 1qlr s VAL 2 Cb 0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 36.38 36.23 1qlr s VAL 2 CO 0.00 -0.05 -0.20 -1.10 0.00 0.00 0.00 175.10 173.76 1qlr s GLN 3 N -0.11 2.85 -0.30 2.72 -1.52 0.51 -4.99 119.66 118.83 1qlr s GLN 3 Ca -0.02 -0.81 -0.01 0.00 -1.95 0.00 0.00 55.36 52.58 1qlr s GLN 3 Cb -0.01 -2.35 0.05 0.00 -0.22 0.00 0.00 33.01 30.48 1qlr s GLN 3 CO 0.00 0.34 -0.01 -0.51 -0.25 0.00 0.00 175.29 174.86 1qlr s LEU 4 N -0.03 3.85 -0.07 2.90 1.43 -1.26 -2.00 118.68 123.49 1qlr s LEU 4 Ca -0.06 -1.30 -0.15 0.00 -1.03 0.00 0.00 54.13 51.59 1qlr s LEU 4 Cb -0.15 -1.69 -0.05 0.00 0.03 0.00 0.00 46.19 44.33 1qlr s LEU 4 CO 0.05 -0.25 0.39 -1.10 0.23 0.00 0.00 176.35 175.66 1qlr s GLN 5 N 1.23 4.07 0.11 1.70 -0.21 -0.58 -4.38 119.66 121.60 1qlr s GLN 5 Ca -0.06 0.32 0.09 0.00 0.02 0.00 0.00 55.36 55.74 1qlr s GLN 5 Cb -0.20 -3.32 -0.04 0.00 1.00 0.00 0.00 33.01 30.46 1qlr s GLN 5 CO -0.02 0.47 -0.18 -0.65 -2.12 0.00 0.00 175.29 172.79 1qlr s GLN 6 N -0.33 1.82 0.16 2.91 -0.21 -1.26 -1.23 119.66 121.52 1qlr s GLN 6 Ca 0.22 -1.16 -0.10 0.00 0.02 0.00 0.00 55.36 54.35 1qlr s GLN 6 Cb -0.15 -2.13 -0.00 0.00 1.00 0.00 0.00 33.01 31.73 1qlr s GLN 6 CO 0.10 0.49 0.31 1.67 -2.12 0.00 0.00 175.29 175.73 1qlr s TRP 7 N -1.12 0.30 0.00 0.91 -2.14 -0.22 -5.00 118.94 111.66 1qlr s TRP 7 Ca 0.18 -0.67 0.00 0.00 2.66 0.00 0.00 56.10 58.27 1qlr s TRP 7 Cb -0.11 0.01 0.00 0.00 -3.10 0.00 0.00 33.47 30.27 1qlr s TRP 7 CO 0.10 -0.73 0.00 0.41 -2.66 0.00 0.00 176.95 174.07 1qlr n GLY 8 N -0.22 3.94 3.64 3.67 0.00 -1.26 -1.27 105.19 113.69 1qlr n GLY 8 Ca -0.09 -0.98 -0.46 0.00 0.00 0.00 0.00 46.02 44.49 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 -1.45 0.50 0.94 4.61 0.00 -1.26 -4.95 120.51 118.89 1qlr n ALA 9 Ca 0.00 0.43 0.10 0.00 0.00 0.00 0.00 53.44 53.97 1qlr n ALA 9 Cb 0.00 -2.20 -0.06 0.00 0.00 0.00 0.00 19.45 17.20 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 2.15 -0.40 2.79 0.00 0.00 -1.26 -4.89 105.19 103.59 1qlr n GLY 10 Ca 0.13 -0.59 -0.22 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.64 0.71 0.28 0.99 2.96 -1.26 -1.02 118.68 118.70 1qlr s LEU 11 Ca 0.13 -0.09 0.02 0.00 -0.22 0.00 0.00 54.13 53.97 1qlr s LEU 11 Cb 0.16 -0.43 -0.05 0.00 0.50 0.00 0.00 46.19 46.37 1qlr s LEU 11 CO 0.67 -0.17 0.09 -0.76 -1.32 0.00 0.00 176.35 174.85 1qlr s LEU 12 N 1.78 1.77 0.24 -0.68 1.43 -1.04 -4.99 118.68 117.18 1qlr s LEU 12 Ca 0.02 -1.38 0.10 0.00 -1.03 0.00 0.00 54.13 51.84 1qlr s LEU 12 Cb -0.13 -0.08 -0.04 0.00 0.03 0.00 0.00 46.19 45.97 1qlr s LEU 12 CO -0.04 -0.70 -0.12 -0.54 0.23 0.00 0.00 176.35 175.18 1qlr s LYS 13 N -4.00 1.95 0.10 1.70 1.02 -1.26 -1.17 119.74 118.08 1qlr s LYS 13 Ca 0.38 -1.49 -0.35 0.00 0.02 0.00 0.00 55.97 54.53 1qlr s LYS 13 Cb 0.08 -2.01 -0.14 0.00 -0.52 0.00 0.00 37.83 35.24 1qlr s LYS 13 CO 0.14 0.38 1.59 -2.30 -0.92 0.00 0.00 175.35 174.25 1qlr n PRO 14 N -0.39 1.97 -1.03 -1.68 -0.02 -1.26 -1.17 135.00 131.43 1qlr n PRO 14 Ca -0.08 0.71 -0.01 0.00 -2.02 0.00 0.00 63.50 62.10 1qlr n PRO 14 Cb 0.58 -2.47 -0.00 0.00 -0.02 0.00 0.00 33.50 31.58 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 3.84 -3.47 -3.94 2.55 3.41 -0.64 -4.92 113.62 110.46 1qlr n SER 15 Ca 0.18 0.03 -0.28 0.00 -0.26 0.00 0.00 58.87 58.54 1qlr n SER 15 Cb 0.27 -1.07 0.19 0.00 -0.26 0.00 0.00 64.21 63.34 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 -2.52 -1.10 -5.18 4.33 1.02 -0.31 -4.28 120.64 112.59 1qlr n GLU 16 Ca -0.01 -2.10 -0.32 0.00 -0.02 0.00 0.00 57.16 54.71 1qlr n GLU 16 Cb 0.09 -1.24 -0.16 0.00 -0.02 0.00 0.00 31.44 30.11 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 -3.72 2.20 0.17 2.62 -4.23 -1.26 -2.17 115.64 109.25 1qlr s THR 17 Ca 0.72 -0.99 -0.30 0.00 -1.18 0.00 0.00 61.69 59.94 1qlr s THR 17 Cb -0.02 -1.83 -0.07 0.00 1.34 0.00 0.00 72.50 71.91 1qlr s THR 17 CO 0.50 0.56 0.95 -0.22 -0.54 0.00 0.00 174.62 175.88 1qlr s LEU 18 N 0.12 4.57 -0.06 4.79 2.96 -0.09 -4.91 118.68 126.06 1qlr s LEU 18 Ca -0.11 1.87 -0.01 0.00 -0.22 0.00 0.00 54.13 55.65 1qlr s LEU 18 Cb -0.16 -3.60 0.03 0.00 0.50 0.00 0.00 46.19 42.96 1qlr s LEU 18 CO 0.06 0.04 0.02 -0.55 -1.32 0.00 0.00 176.35 174.61 1qlr s SER 19 N -0.56 1.29 0.06 3.68 0.15 -1.26 -1.55 113.70 115.52 1qlr s SER 19 Ca 0.44 -0.02 0.05 0.00 0.70 0.00 0.00 55.95 57.12 1qlr s SER 19 Cb -0.25 -0.31 -0.03 0.00 -1.71 0.00 0.00 66.02 63.73 1qlr s SER 19 CO 0.31 -0.20 -0.13 -0.76 1.20 0.00 0.00 173.24 173.66 1qlr s LEU 20 N 1.92 2.25 0.06 3.45 1.43 -0.54 -4.28 118.68 122.96 1qlr s LEU 20 Ca 0.03 -0.57 0.05 0.00 -1.03 0.00 0.00 54.13 52.61 1qlr s LEU 20 Cb -0.12 -0.48 -0.03 0.00 0.03 0.00 0.00 46.19 45.59 1qlr s LEU 20 CO -0.04 -0.07 -0.14 -0.89 0.23 0.00 0.00 176.35 175.43 1qlr s THR 21 N -1.20 1.14 -0.05 5.49 2.01 -0.40 -1.75 115.64 120.89 1qlr s THR 21 Ca -0.02 -1.16 0.00 0.00 0.31 0.00 0.00 61.69 60.81 1qlr s THR 21 Cb -0.10 -1.07 0.02 0.00 0.01 0.00 0.00 72.50 71.37 1qlr s THR 21 CO 0.02 -0.10 -0.03 0.00 -0.69 0.00 0.00 174.62 173.82 1qlr s ALA 23 N 1.26 2.97 -0.25 0.00 0.00 -0.36 -1.72 121.76 123.65 1qlr s ALA 23 Ca -0.06 -0.97 -0.05 0.00 0.00 0.00 0.00 51.96 50.88 1qlr s ALA 23 Cb -0.14 -1.14 -0.00 0.00 0.00 0.00 0.00 23.12 21.84 1qlr s ALA 23 CO -0.02 0.59 0.01 0.08 0.00 0.00 0.00 175.76 176.43 1qlr s VAL 24 N -0.91 3.66 -0.22 0.00 1.01 -1.14 -1.52 120.40 121.28 1qlr s VAL 24 Ca 0.15 -0.55 0.00 0.00 0.00 0.00 0.00 61.98 61.58 1qlr s VAL 24 Cb -0.11 -2.76 0.03 0.00 0.00 0.00 0.00 36.38 33.53 1qlr s VAL 24 CO 0.05 0.28 -0.13 -0.31 0.00 0.00 0.00 175.10 174.99 1qlr s TYR 25 N 1.49 2.96 0.00 5.22 2.02 -0.85 -4.92 117.35 123.27 1qlr s TYR 25 Ca 0.04 -1.67 0.00 0.00 -0.37 0.00 0.00 57.07 55.07 1qlr s TYR 25 Cb -0.16 -1.98 0.00 0.00 -0.40 0.00 0.00 41.96 39.43 1qlr s TYR 25 CO -0.00 -0.77 0.00 0.41 -1.57 0.00 0.00 175.55 173.61 1qlr n GLY 26 N 4.62 0.85 0.00 0.71 0.00 -1.26 -0.36 105.19 109.74 1qlr n GLY 26 Ca -0.18 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 1.28 3.80 -0.02 0.00 -1.26 -4.89 105.19 104.10 1qlr n GLY 27 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 0.68 5.67 -0.01 1.61 0.15 -1.26 -4.97 113.70 115.56 1qlr s SER 28 Ca 0.00 0.02 0.20 0.00 0.70 0.00 0.00 55.95 56.87 1qlr s SER 28 Cb 0.00 -1.56 -0.26 0.00 -1.71 0.00 0.00 66.02 62.49 1qlr s SER 28 CO 0.00 0.15 0.64 0.33 1.20 0.00 0.00 173.24 175.56 1qlr n PHE 29 N 0.29 0.00 -0.05 3.44 7.35 -1.26 -4.82 117.46 122.41 1qlr n PHE 29 Ca -0.08 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.50 1qlr n PHE 29 Cb 0.52 -0.23 -0.05 0.00 0.35 0.00 0.00 39.48 40.07 1qlr n PHE 29 CO 0.00 0.00 0.00 0.77 -0.76 0.00 0.00 176.76 176.77 1qlr h SER 30 N 0.00 0.26 -0.00 -2.13 0.02 -2.02 -3.40 113.55 106.28 1qlr h SER 30 Ca 0.00 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 1qlr h SER 30 Cb 0.69 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.16 1qlr h SER 30 CO 0.00 0.38 -0.01 0.47 -1.14 0.00 0.00 176.83 176.53 1qlr n ASP 31 N -4.83 0.83 -4.69 3.07 8.00 -1.26 -4.35 116.55 113.31 1qlr n ASP 31 Ca -0.04 -0.92 -0.36 0.00 0.71 0.00 0.00 54.79 54.18 1qlr n ASP 31 Cb 0.14 0.22 0.09 0.00 -0.02 0.00 0.00 41.12 41.55 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 -0.20 1.50 -3.05 1.24 4.01 -1.26 -4.84 117.16 114.56 1qlr n TYR 32 Ca 0.00 0.41 -0.43 0.00 -0.16 0.00 0.00 57.90 57.72 1qlr n TYR 32 Cb 0.02 -2.19 -0.06 0.00 -0.31 0.00 0.00 39.34 36.80 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 -1.65 2.97 0.04 -0.72 2.02 -1.26 -4.32 117.35 114.43 1qlr s TYR 33 Ca 0.79 -0.29 -0.26 0.00 -0.37 0.00 0.00 57.07 56.93 1qlr s TYR 33 Cb -0.35 -3.68 -0.05 0.00 -0.40 0.00 0.00 41.96 37.48 1qlr s TYR 33 CO 0.45 -1.10 0.82 -1.58 -1.57 0.00 0.00 175.55 172.57 1qlr s TRP 34 N 3.08 3.72 0.32 2.71 0.52 0.40 -4.44 118.94 125.24 1qlr s TRP 34 Ca 0.21 1.53 0.09 0.00 0.02 0.00 0.00 56.10 57.95 1qlr s TRP 34 Cb -0.16 -2.90 -0.04 0.00 -1.15 0.00 0.00 33.47 29.21 1qlr s TRP 34 CO 0.15 0.20 0.09 -1.12 0.02 0.00 0.00 176.95 176.29 1qlr s SER 35 N 0.22 4.63 -0.09 2.95 0.01 -0.88 -1.43 113.70 119.10 1qlr s SER 35 Ca 0.42 -0.74 0.02 0.00 1.31 0.00 0.00 55.95 56.96 1qlr s SER 35 Cb -0.21 -0.77 -0.01 0.00 0.21 0.00 0.00 66.02 65.24 1qlr s SER 35 CO 0.24 -0.20 -0.17 0.26 0.41 0.00 0.00 173.24 173.78 1qlr s TRP 36 N -2.40 2.68 0.29 2.43 0.52 -0.86 -1.89 118.94 119.72 1qlr s TRP 36 Ca 0.36 -0.62 0.06 0.00 0.02 0.00 0.00 56.10 55.92 1qlr s TRP 36 Cb -0.03 -1.73 -0.06 0.00 -1.15 0.00 0.00 33.47 30.50 1qlr s TRP 36 CO 0.22 -0.16 -0.02 0.42 0.02 0.00 0.00 176.95 177.42 1qlr s ILE 37 N 0.02 1.48 0.19 2.03 1.01 -0.75 -1.73 121.20 123.44 1qlr s ILE 37 Ca -0.06 -2.08 -0.08 0.00 0.00 0.00 0.00 60.65 58.43 1qlr s ILE 37 Cb -0.15 -2.52 -0.02 0.00 0.01 0.00 0.00 42.46 39.79 1qlr s ILE 37 CO 0.05 -0.24 0.29 0.00 0.00 0.00 0.00 174.94 175.04 1qlr s ARG 38 N -3.78 1.25 -0.24 2.79 1.70 0.05 -1.95 118.95 118.78 1qlr s ARG 38 Ca 0.31 -1.31 -0.03 0.00 -0.47 0.00 0.00 55.73 54.23 1qlr s ARG 38 Cb 0.05 0.37 0.11 0.00 -0.57 0.00 0.00 34.95 34.91 1qlr s ARG 38 CO 0.12 -0.46 0.25 -1.14 -1.08 0.00 0.00 175.30 172.99 1qlr s GLN 39 N -4.03 0.24 0.51 3.89 0.74 -0.56 -1.12 119.66 119.33 1qlr s GLN 39 Ca 0.24 0.11 -0.22 0.00 0.05 0.00 0.00 55.36 55.53 1qlr s GLN 39 Cb 0.03 -0.98 -0.06 0.00 1.10 0.00 0.00 33.01 33.11 1qlr s GLN 39 CO 0.05 -0.78 1.25 -2.14 -0.55 0.00 0.00 175.29 173.12 1qlr s PRO 40 N 2.35 3.43 0.26 1.67 0.02 -1.26 -1.04 135.00 140.42 1qlr s PRO 40 Ca 0.08 1.97 -0.30 0.00 0.02 0.00 0.00 61.00 62.77 1qlr s PRO 40 Cb -0.15 -2.30 -0.10 0.00 0.02 0.00 0.00 34.50 31.97 1qlr s PRO 40 CO -0.19 -0.88 1.43 -2.14 -0.33 0.00 0.00 177.00 174.89 1qlr s PRO 41 N -2.85 4.27 0.00 5.54 0.02 -1.26 -1.99 135.00 138.74 1qlr s PRO 41 Ca 0.68 2.30 0.00 0.00 0.02 0.00 0.00 61.00 64.00 1qlr s PRO 41 Cb -0.34 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.08 1qlr s PRO 41 CO 0.40 -0.40 0.00 0.41 -0.33 0.00 0.00 177.00 177.08 1qlr n GLY 42 N 2.06 2.46 1.35 0.52 0.00 -1.26 -4.98 105.19 105.34 1qlr n GLY 42 Ca 0.06 -0.02 -0.07 0.00 0.00 0.00 0.00 46.02 45.99 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 0.75 -1.13 1.61 4.76 -0.84 -5.14 118.16 118.17 1qlr n LYS 43 Ca 0.00 -1.05 -0.06 0.00 -2.87 0.00 0.00 58.31 54.34 1qlr n LYS 43 Cb 0.00 -0.12 0.03 0.00 -1.84 0.00 0.00 35.03 33.10 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 2.51 0.82 3.82 0.72 0.00 -1.26 -4.67 105.19 107.12 1qlr n GLY 44 Ca 0.06 -1.99 -0.34 0.00 0.00 0.00 0.00 46.02 43.75 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 4.11 -0.04 0.99 1.43 -1.26 -4.25 118.68 119.67 1qlr s LEU 45 Ca 0.16 1.61 0.00 0.00 -1.03 0.00 0.00 54.13 54.88 1qlr s LEU 45 Cb -0.01 -4.20 0.03 0.00 0.03 0.00 0.00 46.19 42.03 1qlr s LEU 45 CO 0.11 -0.21 -0.01 -0.70 0.23 0.00 0.00 176.35 175.77 1qlr s GLU 46 N -2.71 0.50 0.21 1.70 2.12 -0.28 -4.96 118.70 115.28 1qlr s GLU 46 Ca 0.55 0.03 -0.28 0.00 0.36 0.00 0.00 54.97 55.63 1qlr s GLU 46 Cb -0.13 -0.66 -0.09 0.00 0.26 0.00 0.00 34.13 33.52 1qlr s GLU 46 CO 0.18 -0.14 0.87 -0.46 -0.54 0.00 0.00 175.26 175.17 1qlr s TRP 47 N 1.13 3.95 -0.27 5.30 -0.00 -1.26 -0.77 118.94 127.02 1qlr s TRP 47 Ca -0.08 1.80 -0.11 0.00 -0.00 0.00 0.00 56.10 57.71 1qlr s TRP 47 Cb -0.14 -2.89 -0.14 0.00 -0.00 0.00 0.00 33.47 30.30 1qlr s TRP 47 CO -0.02 0.48 -0.28 -0.89 -0.00 0.00 0.00 176.95 176.24 1qlr n ILE 48 N 1.50 1.53 -1.22 5.86 5.41 -0.70 -4.68 119.36 127.05 1qlr n ILE 48 Ca -0.03 -0.42 0.00 0.00 1.00 0.00 0.00 62.75 63.30 1qlr n ILE 48 Cb 0.48 -1.78 0.00 0.00 -0.71 0.00 0.00 39.64 37.63 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 1.51 -1.65 3.50 7.39 0.00 -1.20 -1.51 105.19 113.22 1qlr n GLY 49 Ca -0.51 -1.08 -0.09 0.00 0.00 0.00 0.00 46.02 44.33 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 -1.58 1.36 0.02 1.61 -1.05 -0.63 -2.02 118.70 116.41 1qlr s GLU 50 Ca 0.00 -0.97 -0.24 0.00 -0.15 0.00 0.00 54.97 53.61 1qlr s GLU 50 Cb 0.00 0.49 0.05 0.00 -0.44 0.00 0.00 34.13 34.23 1qlr s GLU 50 CO 0.00 -0.56 0.55 -1.50 0.95 0.00 0.00 175.26 174.69 1qlr s ILE 51 N -3.91 0.02 0.49 1.83 2.07 -0.52 -1.94 121.20 119.24 1qlr s ILE 51 Ca 0.12 -0.19 0.00 0.00 -1.41 0.00 0.00 60.65 59.17 1qlr s ILE 51 Cb -0.00 -0.95 0.00 0.00 0.13 0.00 0.00 42.46 41.64 1qlr s ILE 51 CO -0.01 -0.10 0.02 -0.46 -1.91 0.00 0.00 174.94 172.48 1qlr n ASN 52 N 0.59 3.31 0.25 4.50 2.04 -1.15 -0.45 115.26 124.34 1qlr n ASN 52 Ca -0.19 -3.10 0.11 0.00 -0.44 0.00 0.00 54.58 50.96 1qlr n ASN 52 Cb 0.59 0.32 0.63 0.00 -2.53 0.00 0.00 39.78 38.79 1qlr n ASN 52 CO 0.00 0.00 0.00 1.12 -0.44 0.00 0.00 177.26 177.94 1qlr h HIS 53 N 1.22 0.00 -0.43 -2.53 2.07 -1.77 -0.72 115.15 112.99 1qlr h HIS 53 Ca -0.40 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.09 1qlr h HIS 53 Cb 1.21 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.17 1qlr h HIS 53 CO 0.00 0.17 0.04 -1.13 -3.07 0.00 0.00 177.93 173.94 1qlr n SER 54 N -3.57 4.27 0.00 3.10 3.41 -1.26 -4.91 113.62 114.65 1qlr n SER 54 Ca -0.01 -2.70 0.00 0.00 -0.26 0.00 0.00 58.87 55.90 1qlr n SER 54 Cb 0.31 -0.64 0.00 0.00 -0.26 0.00 0.00 64.21 63.61 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 0.34 2.37 3.76 5.00 0.00 -0.28 -5.04 105.19 111.33 1qlr n GLY 55 Ca 0.22 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.70 7.25 0.31 1.61 1.04 -1.26 -4.79 113.70 115.15 1qlr s SER 56 Ca 0.00 2.26 0.06 0.00 0.48 0.00 0.00 55.95 58.75 1qlr s SER 56 Cb 0.00 -2.62 -0.06 0.00 0.10 0.00 0.00 66.02 63.43 1qlr s SER 56 CO 0.00 -0.17 -0.01 0.42 0.98 0.00 0.00 173.24 174.45 1qlr s THR 57 N -0.99 1.56 -0.04 2.02 -4.23 -1.26 -2.92 115.64 109.78 1qlr s THR 57 Ca 0.46 -2.07 -0.02 0.00 -1.18 0.00 0.00 61.69 58.88 1qlr s THR 57 Cb -0.32 -2.63 0.03 0.00 1.34 0.00 0.00 72.50 70.92 1qlr s THR 57 CO 0.40 -0.17 0.07 0.20 -0.54 0.00 0.00 174.62 174.58 1qlr s ASN 58 N -3.49 0.59 0.15 3.99 0.01 -0.82 -4.97 114.94 110.40 1qlr s ASN 58 Ca 0.32 0.12 0.08 0.00 -0.71 0.00 0.00 52.86 52.67 1qlr s ASN 58 Cb 0.06 -0.03 -0.04 0.00 0.41 0.00 0.00 41.25 41.65 1qlr s ASN 58 CO 0.14 -0.20 -0.07 -0.31 -1.51 0.00 0.00 177.10 175.15 1qlr s TYR 59 N 1.70 2.72 0.19 2.20 2.02 -1.26 -1.61 117.35 123.31 1qlr s TYR 59 Ca -0.02 -0.18 -0.31 0.00 -0.37 0.00 0.00 57.07 56.20 1qlr s TYR 59 Cb -0.12 -1.36 -0.09 0.00 -0.40 0.00 0.00 41.96 39.99 1qlr s TYR 59 CO -0.04 0.49 1.45 1.21 -1.57 0.00 0.00 175.55 177.09 1qlr s ASN 60 N -2.66 6.71 0.45 2.29 3.84 -0.57 -4.89 114.94 120.11 1qlr s ASN 60 Ca 0.24 2.54 0.30 0.00 0.21 0.00 0.00 52.86 56.15 1qlr s ASN 60 Cb -0.10 -2.60 1.20 0.00 -0.55 0.00 0.00 41.25 39.20 1qlr s ASN 60 CO 0.16 -0.70 1.88 1.55 -2.79 0.00 0.00 177.10 177.20 1qlr h PRO 61 N 5.98 0.00 -0.01 0.43 0.13 -1.95 -2.83 132.00 133.74 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 0.83 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.47 1qlr n SER 62 N -2.81 0.12 0.00 1.44 3.41 -1.26 -3.41 113.62 111.11 1qlr n SER 62 Ca 0.01 -1.51 0.00 0.00 -0.26 0.00 0.00 58.87 57.11 1qlr n SER 62 Cb 0.29 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 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 -0.68 0.00 -0.33 1.04 4.77 -1.15 -4.94 117.00 115.72 1qlr n LEU 63 Ca 0.12 -0.13 0.19 0.00 -0.03 0.00 0.00 56.01 56.16 1qlr n LEU 63 Cb 0.07 0.00 0.40 0.00 -2.33 0.00 0.00 43.42 41.57 1qlr n LEU 63 CO 0.09 0.00 1.10 0.50 -1.33 0.00 0.00 177.39 177.75 1qlr h LYS 64 N 0.00 0.39 -0.38 3.23 3.64 -1.52 -0.62 116.57 121.31 1qlr h LYS 64 Ca 0.00 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.32 1qlr h LYS 64 Cb 0.00 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.72 1qlr h LYS 64 CO 0.00 0.26 0.08 0.66 -2.27 0.00 0.00 179.45 178.18 1qlr h SER 65 N 0.40 0.59 -0.18 4.20 4.64 -1.91 -3.24 113.55 118.05 1qlr h SER 65 Ca 0.66 -0.24 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 1qlr h SER 65 Cb 1.39 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1qlr h SER 65 CO -0.56 0.68 0.00 0.54 -0.87 0.00 0.00 176.83 176.61 1qlr n ARG 66 N -4.57 1.54 -4.40 4.77 1.74 -0.28 -4.97 116.66 110.49 1qlr n ARG 66 Ca -0.01 -0.82 -0.30 0.00 -0.77 0.00 0.00 57.85 55.95 1qlr n ARG 66 Cb 0.21 -1.28 -0.12 0.00 -1.02 0.00 0.00 32.46 30.25 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 -1.77 2.72 -0.07 1.55 1.01 -0.94 -1.65 120.40 121.25 1qlr s VAL 67 Ca 0.24 -1.48 -0.03 0.00 0.00 0.00 0.00 61.98 60.72 1qlr s VAL 67 Cb 0.13 -2.22 0.04 0.00 0.00 0.00 0.00 36.38 34.33 1qlr s VAL 67 CO 0.19 0.15 0.14 -0.89 0.00 0.00 0.00 175.10 174.69 1qlr s THR 68 N -1.08 -0.11 0.03 3.92 2.01 -0.42 -4.95 115.64 115.04 1qlr s THR 68 Ca 0.17 0.24 0.06 0.00 0.31 0.00 0.00 61.69 62.46 1qlr s THR 68 Cb -0.10 -0.24 -0.03 0.00 0.01 0.00 0.00 72.50 72.13 1qlr s THR 68 CO 0.08 0.10 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.35 1qlr s ILE 69 N 1.52 3.12 0.18 1.82 1.01 -1.26 -1.36 121.20 126.23 1qlr s ILE 69 Ca -0.05 -1.04 -0.12 0.00 0.00 0.00 0.00 60.65 59.44 1qlr s ILE 69 Cb -0.12 -2.34 0.00 0.00 0.01 0.00 0.00 42.46 40.02 1qlr s ILE 69 CO -0.06 0.35 0.37 -0.94 0.00 0.00 0.00 174.94 174.67 1qlr s SER 70 N -1.46 -0.06 0.10 3.58 1.04 -0.64 -4.98 113.70 111.28 1qlr s SER 70 Ca 0.16 -0.77 0.06 0.00 0.48 0.00 0.00 55.95 55.88 1qlr s SER 70 Cb -0.11 0.49 -0.03 0.00 0.10 0.00 0.00 66.02 66.47 1qlr s SER 70 CO 0.06 -0.97 -0.15 0.68 0.98 0.00 0.00 173.24 173.84 1qlr s VAL 71 N -3.95 1.33 -0.35 5.02 -7.23 -1.26 -1.12 120.40 112.83 1qlr s VAL 71 Ca 0.16 -1.52 0.04 0.00 -1.81 0.00 0.00 61.98 58.84 1qlr s VAL 71 Cb 0.02 -1.36 0.10 0.00 0.56 0.00 0.00 36.38 35.70 1qlr s VAL 71 CO 0.00 -0.27 0.07 -0.62 -0.31 0.00 0.00 175.10 173.98 1qlr s ASP 72 N -2.07 4.66 0.09 4.85 -1.08 -0.19 -4.96 116.67 117.98 1qlr s ASP 72 Ca 0.04 -2.19 0.26 0.00 -0.52 0.00 0.00 52.55 50.14 1qlr s ASP 72 Cb -0.08 -1.56 1.00 0.00 -1.46 0.00 0.00 42.92 40.81 1qlr s ASP 72 CO 0.03 -0.37 1.80 0.35 0.52 0.00 0.00 175.17 177.50 1qlr n THR 73 N 4.20 0.40 0.17 1.71 -2.24 -1.26 -1.20 114.28 116.05 1qlr n THR 73 Ca 0.04 -0.04 0.01 0.00 -2.27 0.00 0.00 64.05 61.79 1qlr n THR 73 Cb 0.41 -0.65 0.32 0.00 -2.10 0.00 0.00 70.33 68.30 1qlr n THR 73 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 1qlr h SER 74 N 0.00 0.04 0.00 3.42 0.87 -1.95 -3.30 113.55 112.64 1qlr h SER 74 Ca 0.00 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 1qlr h SER 74 Cb 0.53 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.48 1qlr h SER 74 CO 0.00 0.44 0.00 0.29 -0.53 0.00 0.00 176.83 177.03 1qlr n LYS 75 N -4.06 1.92 -3.63 2.24 5.02 -1.06 -5.03 118.16 113.57 1qlr n LYS 75 Ca -0.02 -1.20 -0.21 0.00 -2.02 0.00 0.00 58.31 54.86 1qlr n LYS 75 Cb 0.44 -0.96 0.05 0.00 -0.02 0.00 0.00 35.03 34.54 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 -0.35 -2.14 -4.26 4.39 5.03 -0.34 -4.81 115.26 112.76 1qlr n ASN 76 Ca 0.00 -0.73 -0.15 0.00 0.87 0.00 0.00 54.58 54.56 1qlr n ASN 76 Cb 0.22 -4.44 -0.10 0.00 -1.02 0.00 0.00 39.78 34.43 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 -5.87 1.09 0.11 3.52 -0.21 -0.64 -2.90 119.66 114.76 1qlr s GLN 77 Ca 0.11 -1.45 -0.01 0.00 0.02 0.00 0.00 55.36 54.02 1qlr s GLN 77 Cb -0.05 -0.72 -0.04 0.00 1.00 0.00 0.00 33.01 33.21 1qlr s GLN 77 CO 0.78 0.10 0.04 -0.59 -2.12 0.00 0.00 175.29 173.51 1qlr s PHE 78 N -3.16 0.75 0.21 0.91 -0.71 -0.70 -1.02 117.98 114.26 1qlr s PHE 78 Ca 0.17 -1.17 -0.22 0.00 -1.04 0.00 0.00 56.93 54.66 1qlr s PHE 78 Cb 0.01 -0.44 0.05 0.00 -1.21 0.00 0.00 43.02 41.43 1qlr s PHE 78 CO 0.02 -0.49 0.69 -1.54 -1.34 0.00 0.00 175.22 172.55 1qlr s SER 79 N -3.01 -0.39 -0.05 1.98 1.04 -0.28 -1.96 113.70 111.04 1qlr s SER 79 Ca 0.19 -0.33 0.04 0.00 0.48 0.00 0.00 55.95 56.33 1qlr s SER 79 Cb 0.07 0.65 0.00 0.00 0.10 0.00 0.00 66.02 66.85 1qlr s SER 79 CO -0.01 -1.14 -0.16 -0.22 0.98 0.00 0.00 173.24 172.68 1qlr s LEU 80 N -2.84 1.86 -0.12 2.42 2.96 -0.72 -1.62 118.68 120.63 1qlr s LEU 80 Ca 0.07 -0.34 0.02 0.00 -0.22 0.00 0.00 54.13 53.66 1qlr s LEU 80 Cb -0.04 -0.94 0.01 0.00 0.50 0.00 0.00 46.19 45.73 1qlr s LEU 80 CO -0.02 0.12 -0.19 -0.54 -1.32 0.00 0.00 176.35 174.40 1qlr s LYS 81 N 0.19 2.66 -0.24 1.98 1.02 -0.46 -1.46 119.74 123.42 1qlr s LYS 81 Ca -0.07 -0.72 -0.00 0.00 0.02 0.00 0.00 55.97 55.19 1qlr s LYS 81 Cb -0.12 -2.18 0.07 0.00 -0.52 0.00 0.00 37.83 35.08 1qlr s LYS 81 CO 0.03 -0.02 0.00 -1.17 -0.92 0.00 0.00 175.35 173.27 1qlr s LEU 82 N 0.85 2.27 0.52 3.17 2.96 -0.59 -1.30 118.68 126.56 1qlr s LEU 82 Ca -0.08 -1.22 -0.02 0.00 -0.22 0.00 0.00 54.13 52.59 1qlr s LEU 82 Cb -0.15 -0.99 0.01 0.00 0.50 0.00 0.00 46.19 45.55 1qlr s LEU 82 CO -0.01 -0.29 0.77 -0.94 -1.32 0.00 0.00 176.35 174.56 1qlr s SER 83 N 1.53 5.66 -1.06 3.68 1.04 -0.66 -0.91 113.70 122.98 1qlr s SER 83 Ca -0.01 0.41 -0.15 0.00 0.48 0.00 0.00 55.95 56.68 1qlr s SER 83 Cb -0.18 -1.51 -0.02 0.00 0.10 0.00 0.00 66.02 64.41 1qlr s SER 83 CO -0.10 -0.90 0.80 -1.20 0.98 0.00 0.00 173.24 172.82 1qlr n SER 84 N -2.31 -5.83 -4.75 7.02 7.64 -1.15 -4.92 113.62 109.32 1qlr n SER 84 Ca 0.03 -0.86 -0.30 0.00 1.01 0.00 0.00 58.87 58.75 1qlr n SER 84 Cb 0.58 -3.83 0.11 0.00 -1.01 0.00 0.00 64.21 60.06 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 -3.37 3.07 0.29 0.44 -7.23 -0.92 -4.63 120.40 108.05 1qlr s VAL 85 Ca 0.40 0.35 0.03 0.00 -1.81 0.00 0.00 61.98 60.95 1qlr s VAL 85 Cb -0.12 -2.84 -0.04 0.00 0.56 0.00 0.00 36.38 33.94 1qlr s VAL 85 CO 0.83 -0.45 0.18 0.42 -0.31 0.00 0.00 175.10 175.77 1qlr s THR 86 N -2.92 0.17 0.67 5.32 -4.23 -1.26 -1.61 115.64 111.77 1qlr s THR 86 Ca 0.62 -2.00 0.41 0.00 -1.18 0.00 0.00 61.69 59.54 1qlr s THR 86 Cb -0.17 -2.50 0.41 0.00 1.34 0.00 0.00 72.50 71.58 1qlr s THR 86 CO 0.56 0.00 2.27 0.00 -0.54 0.00 0.00 174.62 176.92 1qlr h ALA 87 N 2.28 1.09 0.00 3.99 0.00 -1.97 -1.47 119.26 123.18 1qlr h ALA 87 Ca -0.32 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1qlr h ALA 87 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1qlr h ALA 87 CO 0.48 -0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.66 1qlr h ALA 88 N 1.85 1.00 -0.00 0.00 0.00 -1.96 -2.97 119.26 117.19 1qlr h ALA 88 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1qlr h ALA 88 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1qlr h ALA 88 CO -0.00 0.00 -0.18 -0.25 0.00 0.00 0.00 179.25 178.82 1qlr n ASP 89 N -2.40 0.43 -4.78 0.00 8.00 -0.55 -4.87 116.55 112.38 1qlr n ASP 89 Ca 0.01 -0.33 -0.41 0.00 0.71 0.00 0.00 54.79 54.77 1qlr n ASP 89 Cb 0.21 -0.07 -0.00 0.00 -0.02 0.00 0.00 41.12 41.23 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 -2.68 2.11 0.00 -3.53 2.01 -1.12 -4.90 115.64 107.52 1qlr s THR 90 Ca 0.22 0.11 0.00 0.00 0.31 0.00 0.00 61.69 62.32 1qlr s THR 90 Cb 0.19 -3.07 0.00 0.00 0.01 0.00 0.00 72.50 69.64 1qlr s THR 90 CO 0.54 0.02 0.00 0.00 -0.69 0.00 0.00 174.62 174.49 1qlr n ALA 91 N 0.65 0.00 -2.68 7.40 0.00 -0.95 -4.58 120.51 120.36 1qlr n ALA 91 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.06 1qlr n ALA 91 Cb 0.39 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.79 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 5.02 -0.24 0.00 1.01 -0.21 -1.78 120.40 122.20 1qlr s VAL 92 Ca 0.00 1.28 -0.09 0.00 0.00 0.00 0.00 61.98 63.17 1qlr s VAL 92 Cb 0.00 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.36 1qlr s VAL 92 CO 0.00 0.14 0.11 -0.31 0.00 0.00 0.00 175.10 175.04 1qlr s TYR 93 N 1.64 3.18 0.21 5.22 1.51 0.07 -1.50 117.35 127.68 1qlr s TYR 93 Ca 0.31 -0.09 0.09 0.00 -1.01 0.00 0.00 57.07 56.38 1qlr s TYR 93 Cb -0.16 -2.24 -0.04 0.00 -0.11 0.00 0.00 41.96 39.40 1qlr s TYR 93 CO 0.12 -0.14 -0.08 0.71 -1.11 0.00 0.00 175.55 175.05 1qlr s TYR 94 N 1.31 2.63 0.19 2.71 2.02 -0.82 -2.19 117.35 123.20 1qlr s TYR 94 Ca 0.06 -0.23 0.09 0.00 -0.37 0.00 0.00 57.07 56.62 1qlr s TYR 94 Cb -0.15 -1.24 -0.04 0.00 -0.40 0.00 0.00 41.96 40.13 1qlr s TYR 94 CO 0.05 0.55 -0.05 0.00 -1.57 0.00 0.00 175.55 174.53 1qlr s ALA 96 N -1.83 -1.14 -0.02 0.00 0.00 -0.79 -0.02 121.76 117.96 1qlr s ALA 96 Ca 0.27 -0.14 -0.03 0.00 0.00 0.00 0.00 51.96 52.06 1qlr s ALA 96 Cb -0.08 0.87 0.00 0.00 0.00 0.00 0.00 23.12 23.91 1qlr s ALA 96 CO 0.17 -0.88 0.08 0.50 0.00 0.00 0.00 175.76 175.62 1qlr s ARG 97 N -3.87 0.16 0.58 0.00 3.00 0.35 -2.08 118.95 117.08 1qlr s ARG 97 Ca 0.09 -0.03 -0.16 0.00 -1.00 0.00 0.00 55.73 54.63 1qlr s ARG 97 Cb -0.03 0.07 -0.05 0.00 0.00 0.00 0.00 34.95 34.95 1qlr s ARG 97 CO -0.01 -0.03 1.04 -1.25 0.00 0.00 0.00 175.30 175.06 1qlr s PRO 98 N -0.29 3.45 0.48 5.12 0.04 -1.26 -2.76 135.00 139.79 1qlr s PRO 98 Ca -0.03 1.15 0.27 0.00 0.04 0.00 0.00 61.00 62.42 1qlr s PRO 98 Cb -0.02 -2.05 1.19 0.00 0.04 0.00 0.00 34.50 33.65 1qlr s PRO 98 CO 0.00 -0.70 1.94 -1.00 0.04 0.00 0.00 177.00 177.29 1qlr h PRO 99 N 0.54 0.00 -4.26 0.56 0.13 -1.88 -3.46 132.00 123.63 1qlr h PRO 99 Ca -0.47 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.52 1qlr h PRO 99 Cb 1.21 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.20 1qlr h PRO 99 CO 0.58 0.17 -0.61 -1.01 -0.23 0.00 0.00 178.00 176.90 1qlr s HIS 100 N -3.85 0.64 -0.30 1.56 3.76 -1.26 -5.06 115.29 110.78 1qlr s HIS 100 Ca -0.01 -1.08 0.21 0.00 -0.15 0.00 0.00 55.06 54.03 1qlr s HIS 100 Cb 0.11 -0.38 0.33 0.00 1.11 0.00 0.00 32.58 33.76 1qlr s HIS 100 CO 0.60 -0.48 1.59 0.38 -0.85 0.00 0.00 174.74 175.98 1qlr h ASP 101 N 2.94 0.00 -0.47 1.40 2.03 -1.91 -3.36 116.42 117.05 1qlr h ASP 101 Ca -0.34 0.00 -0.33 0.00 -0.73 0.00 0.00 57.03 55.63 1qlr h ASP 101 Cb 1.18 0.00 -0.23 0.00 -0.83 0.00 0.00 39.33 39.45 1qlr h ASP 101 CO 0.61 0.17 -0.47 1.07 -1.03 0.00 0.00 179.24 179.58 1qlr n THR 102 N -3.15 2.52 -3.01 1.15 5.66 -1.26 -4.90 114.28 111.29 1qlr n THR 102 Ca 0.03 -3.58 0.00 0.00 -3.05 0.00 0.00 64.05 57.45 1qlr n THR 102 Cb 0.58 -0.72 0.00 0.00 -1.55 0.00 0.00 70.33 68.63 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 -0.92 0.00 -4.70 1.09 7.64 -1.26 -5.12 113.62 110.35 1qlr n SER 103 Ca 0.36 -0.40 -0.38 0.00 1.01 0.00 0.00 58.87 59.46 1qlr n SER 103 Cb 0.88 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 64.13 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 0.35 3.49 0.23 0.00 -1.26 -4.88 105.19 103.13 1qlr n GLY 104 Ca 0.00 -0.07 -0.44 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.45 4.83 -4.36 1.61 -0.00 -1.26 -4.82 115.22 109.77 1qlr n HIS 105 Ca 0.13 -3.16 -0.23 0.00 -0.00 0.00 0.00 57.72 54.45 1qlr n HIS 105 Cb 0.46 -2.35 -0.11 0.00 -0.00 0.00 0.00 29.99 27.98 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 2.52 1.96 -0.18 4.41 1.13 -1.26 -5.07 117.35 120.86 1qlr s TYR 106 Ca 0.47 -0.43 -0.02 0.00 -1.41 0.00 0.00 57.07 55.68 1qlr s TYR 106 Cb -0.00 -0.98 -0.01 0.00 -1.10 0.00 0.00 41.96 39.88 1qlr s TYR 106 CO 0.03 0.38 -0.10 -1.58 -2.51 0.00 0.00 175.55 171.76 1qlr s TRP 107 N -1.90 2.87 -0.61 -3.49 0.51 -1.26 -4.11 118.94 110.95 1qlr s TRP 107 Ca 0.17 -0.94 0.12 0.00 -2.12 0.00 0.00 56.10 53.33 1qlr s TRP 107 Cb -0.07 -1.97 -0.12 0.00 -0.81 0.00 0.00 33.47 30.50 1qlr s TRP 107 CO 0.07 -0.46 0.53 0.27 -0.51 0.00 0.00 176.95 176.86 1qlr n ASN 108 N 4.26 0.62 -4.16 2.95 6.94 -1.11 -4.91 115.26 119.84 1qlr n ASN 108 Ca -0.19 -0.81 -0.33 0.00 -0.02 0.00 0.00 54.58 53.23 1qlr n ASN 108 Cb 0.51 0.97 -0.15 0.00 -2.36 0.00 0.00 39.78 38.75 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 -2.12 2.89 0.24 -2.53 2.02 -1.14 -5.02 117.35 111.70 1qlr s TYR 109 Ca 0.05 -1.59 0.11 0.00 -0.37 0.00 0.00 57.07 55.27 1qlr s TYR 109 Cb 0.09 -1.97 -0.05 0.00 -0.40 0.00 0.00 41.96 39.64 1qlr s TYR 109 CO 0.49 -0.76 -0.13 -1.58 -1.57 0.00 0.00 175.55 171.99 1qlr s TRP 110 N 1.31 2.47 0.59 2.71 0.52 -1.26 -0.50 118.94 124.77 1qlr s TRP 110 Ca 0.03 -0.29 -0.07 0.00 0.02 0.00 0.00 56.10 55.80 1qlr s TRP 110 Cb -0.14 -1.13 0.13 0.00 -1.15 0.00 0.00 33.47 31.18 1qlr s TRP 110 CO -0.10 0.62 0.81 0.41 0.02 0.00 0.00 176.95 178.71 1qlr n GLY 111 N -0.42 -0.56 0.21 0.98 0.00 0.97 -4.61 105.19 101.77 1qlr n GLY 111 Ca -0.08 -1.82 0.12 0.00 0.00 0.00 0.00 46.02 44.24 1qlr n GLY 111 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1qlr h GLN 112 N 0.00 0.00 0.00 1.61 7.50 -1.90 -3.44 115.11 118.88 1qlr h GLN 112 Ca -0.26 0.00 0.00 0.00 0.50 0.00 0.00 58.65 58.89 1qlr h GLN 112 Cb 0.81 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.34 1qlr h GLN 112 CO 0.22 0.02 0.00 0.41 -1.50 0.00 0.00 178.83 177.98 1qlr n GLY 113 N 1.11 2.01 3.06 3.46 0.00 -1.26 -5.02 105.19 108.55 1qlr n GLY 113 Ca 0.04 -1.68 -0.30 0.00 0.00 0.00 0.00 46.02 44.08 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 -1.75 1.64 0.03 2.61 2.01 -0.93 -4.92 115.64 114.33 1qlr s THR 114 Ca 0.00 -0.70 -0.30 0.00 0.31 0.00 0.00 61.69 61.00 1qlr s THR 114 Cb 0.00 -1.50 -0.04 0.00 0.01 0.00 0.00 72.50 70.97 1qlr s THR 114 CO 0.00 0.47 1.01 -0.22 -0.69 0.00 0.00 174.62 175.19 1qlr s LEU 115 N 1.22 4.39 -0.20 4.42 2.96 -1.26 -0.75 118.68 129.46 1qlr s LEU 115 Ca -0.00 1.74 0.02 0.00 -0.22 0.00 0.00 54.13 55.66 1qlr s LEU 115 Cb -0.14 -3.57 0.03 0.00 0.50 0.00 0.00 46.19 43.01 1qlr s LEU 115 CO -0.07 -0.27 -0.17 -0.69 -1.32 0.00 0.00 176.35 173.83 1qlr s VAL 116 N 0.87 2.08 -0.16 1.68 1.01 -0.73 -4.69 120.40 120.46 1qlr s VAL 116 Ca 0.52 -1.14 -0.10 0.00 0.00 0.00 0.00 61.98 61.27 1qlr s VAL 116 Cb -0.23 -1.97 -0.05 0.00 0.00 0.00 0.00 36.38 34.13 1qlr s VAL 116 CO 0.29 0.37 0.16 -0.89 0.00 0.00 0.00 175.10 175.03 1qlr s THR 117 N 1.24 5.42 -0.24 3.92 2.01 -0.18 -2.24 115.64 125.57 1qlr s THR 117 Ca 0.01 0.26 -0.04 0.00 0.31 0.00 0.00 61.69 62.23 1qlr s THR 117 Cb -0.15 -3.47 0.01 0.00 0.01 0.00 0.00 72.50 68.89 1qlr s THR 117 CO -0.11 0.50 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.61 1qlr s VAL 118 N -0.16 3.29 0.08 3.82 1.01 -1.26 -2.51 120.40 124.66 1qlr s VAL 118 Ca 0.12 -0.71 -0.07 0.00 0.00 0.00 0.00 61.98 61.32 1qlr s VAL 118 Cb -0.12 -2.59 -0.01 0.00 0.00 0.00 0.00 36.38 33.67 1qlr s VAL 118 CO 0.01 0.29 0.15 -0.55 0.00 0.00 0.00 175.10 175.00 1qlr s SER 119 N 1.43 0.20 0.20 3.32 0.15 -0.32 -4.41 113.70 114.27 1qlr s SER 119 Ca 0.03 -0.73 0.22 0.00 0.70 0.00 0.00 55.95 56.18 1qlr s SER 119 Cb -0.15 0.31 0.00 0.00 -1.71 0.00 0.00 66.02 64.47 1qlr s SER 119 CO -0.03 -0.71 1.05 0.77 1.20 0.00 0.00 173.24 175.53 1qlr h SER 120 N 2.83 0.00 0.00 5.45 4.64 -1.84 -3.36 113.55 121.26 1qlr h SER 120 Ca -0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 1qlr h SER 120 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1qlr h SER 120 CO 0.58 0.05 0.00 0.61 -0.87 0.00 0.00 176.83 177.20 1qlr n GLY 121 N 1.19 -3.09 3.61 -0.77 0.00 -1.26 -5.01 105.19 99.86 1qlr n GLY 121 Ca -0.01 -1.04 -0.13 0.00 0.00 0.00 0.00 46.02 44.84 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 -2.09 -0.74 0.37 1.61 0.01 -1.26 -5.03 113.70 106.57 1qlr s SER 122 Ca 0.00 1.41 -0.21 0.00 1.31 0.00 0.00 55.95 58.46 1qlr s SER 122 Cb 0.00 1.42 -0.15 0.00 0.21 0.00 0.00 66.02 67.50 1qlr s SER 122 CO 0.00 -0.24 0.11 0.00 0.41 0.00 0.00 173.24 173.52 1qlr n ALA 123 N 2.82 -2.91 -3.60 1.44 0.00 -1.26 -4.77 120.51 112.23 1qlr n ALA 123 Ca -0.14 0.13 -0.10 0.00 0.00 0.00 0.00 53.44 53.33 1qlr n ALA 123 Cb 0.55 -1.41 -0.06 0.00 0.00 0.00 0.00 19.45 18.54 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 -0.40 0.51 0.00 1.04 -0.29 -4.91 113.70 108.71 1qlr s SER 124 Ca 0.57 0.56 -0.08 0.00 0.48 0.00 0.00 55.95 57.48 1qlr s SER 124 Cb -0.63 0.49 -0.04 0.00 0.10 0.00 0.00 66.02 65.94 1qlr s SER 124 CO 0.59 -0.28 0.86 0.00 0.98 0.00 0.00 173.24 175.39 1qlr s ALA 125 N -0.66 3.30 0.73 5.32 0.00 -1.26 -2.26 121.76 126.93 1qlr s ALA 125 Ca -0.00 -0.34 -0.13 0.00 0.00 0.00 0.00 51.96 51.49 1qlr s ALA 125 Cb -0.02 -2.76 0.04 0.00 0.00 0.00 0.00 23.12 20.38 1qlr s ALA 125 CO -0.01 -0.41 1.13 -1.25 0.00 0.00 0.00 175.76 175.22 1qlr s PRO 126 N -4.76 2.34 -0.12 0.00 0.04 -1.26 -4.54 135.00 126.70 1qlr s PRO 126 Ca 0.50 1.41 -0.03 0.00 0.04 0.00 0.00 61.00 62.93 1qlr s PRO 126 Cb -0.10 -1.89 -0.03 0.00 0.04 0.00 0.00 34.50 32.51 1qlr s PRO 126 CO 0.46 -1.61 -0.02 -0.08 0.04 0.00 0.00 177.00 175.79 1qlr s THR 127 N -2.47 4.12 -0.15 1.26 -1.32 -0.02 -4.87 115.64 112.19 1qlr s THR 127 Ca 0.67 -0.30 -0.04 0.00 -1.21 0.00 0.00 61.69 60.80 1qlr s THR 127 Cb -0.21 -2.76 -0.03 0.00 -1.51 0.00 0.00 72.50 67.98 1qlr s THR 127 CO 0.48 0.55 0.00 -0.76 -2.21 0.00 0.00 174.62 172.68 1qlr s LEU 128 N -0.29 3.49 0.11 9.08 1.43 -1.26 -0.91 118.68 130.33 1qlr s LEU 128 Ca 0.06 -0.01 0.07 0.00 -1.03 0.00 0.00 54.13 53.22 1qlr s LEU 128 Cb -0.12 -1.84 -0.04 0.00 0.03 0.00 0.00 46.19 44.22 1qlr s LEU 128 CO 0.02 0.21 -0.18 -0.36 0.23 0.00 0.00 176.35 176.27 1qlr s PHE 129 N 0.13 1.62 0.54 0.29 0.08 -0.85 -4.98 117.98 114.81 1qlr s PHE 129 Ca 0.01 -0.46 -0.04 0.00 0.12 0.00 0.00 56.93 56.56 1qlr s PHE 129 Cb -0.13 -0.87 -0.00 0.00 -0.57 0.00 0.00 43.02 41.45 1qlr s PHE 129 CO 0.02 0.19 0.83 -1.25 -0.10 0.00 0.00 175.22 174.91 1qlr s PRO 130 N -2.17 3.10 -0.24 0.24 0.04 -1.26 -0.88 135.00 133.83 1qlr s PRO 130 Ca 0.07 -0.05 -0.01 0.00 0.04 0.00 0.00 61.00 61.04 1qlr s PRO 130 Cb -0.08 -2.35 0.07 0.00 0.04 0.00 0.00 34.50 32.17 1qlr s PRO 130 CO 0.04 -0.49 0.04 -0.51 0.04 0.00 0.00 177.00 176.11 1qlr s LEU 131 N -4.84 1.81 0.03 -3.56 1.43 0.58 -4.75 118.68 109.37 1qlr s LEU 131 Ca 0.51 -1.15 0.04 0.00 -1.03 0.00 0.00 54.13 52.50 1qlr s LEU 131 Cb -0.10 -0.80 -0.04 0.00 0.03 0.00 0.00 46.19 45.28 1qlr s LEU 131 CO 0.44 -0.33 -0.06 -0.69 0.23 0.00 0.00 176.35 175.94 1qlr s VAL 132 N 1.68 3.68 0.35 -1.59 1.01 -1.26 -1.09 120.40 123.18 1qlr s VAL 132 Ca 0.01 -0.88 -0.26 0.00 0.00 0.00 0.00 61.98 60.85 1qlr s VAL 132 Cb -0.18 -2.64 -0.09 0.00 0.00 0.00 0.00 36.38 33.47 1qlr s VAL 132 CO -0.13 0.31 1.02 -0.55 0.00 0.00 0.00 175.10 175.75 1qlr s SER 133 N -1.69 7.06 -0.09 3.32 0.15 -1.26 -5.02 113.70 116.18 1qlr s SER 133 Ca 0.19 2.02 0.06 0.00 0.70 0.00 0.00 55.95 58.92 1qlr s SER 133 Cb -0.11 -2.59 0.32 0.00 -1.71 0.00 0.00 66.02 61.92 1qlr s SER 133 CO 0.10 -0.27 1.00 0.00 1.20 0.00 0.00 173.24 175.27 1qlr s VAL 144 N -1.68 0.09 -0.14 0.00 0.11 0.64 -5.09 120.40 114.34 1qlr s VAL 144 Ca 0.21 -0.75 0.01 0.00 -2.93 0.00 0.00 61.98 58.51 1qlr s VAL 144 Cb 0.16 -1.06 0.02 0.00 -1.53 0.00 0.00 36.38 33.97 1qlr s VAL 144 CO 0.07 -0.42 -0.13 0.00 -3.33 0.00 0.00 175.10 171.28 1qlr s ALA 145 N -3.05 1.75 0.21 1.54 0.00 -1.26 0.58 121.76 121.53 1qlr s ALA 145 Ca -0.01 -0.82 0.10 0.00 0.00 0.00 0.00 51.96 51.23 1qlr s ALA 145 Cb 0.01 -0.99 -0.05 0.00 0.00 0.00 0.00 23.12 22.10 1qlr s ALA 145 CO -0.07 -0.32 -0.20 0.54 0.00 0.00 0.00 175.76 175.72 1qlr s VAL 146 N 1.41 2.14 0.26 0.00 0.11 -0.62 -4.18 120.40 119.52 1qlr s VAL 146 Ca 0.03 -2.15 -0.00 0.00 -2.93 0.00 0.00 61.98 56.92 1qlr s VAL 146 Cb -0.13 -2.09 -0.03 0.00 -1.53 0.00 0.00 36.38 32.61 1qlr s VAL 146 CO -0.08 -0.34 0.26 -0.83 -3.33 0.00 0.00 175.10 170.78 1qlr s GLY 147 N -3.04 1.57 -0.04 6.54 0.00 -0.25 -0.52 107.32 111.58 1qlr s GLY 147 Ca 0.22 -1.67 -0.02 0.00 0.00 0.00 0.00 44.72 43.25 1qlr s GLY 147 CO 0.10 -1.26 0.10 0.00 0.00 0.00 0.00 173.10 172.03 1qlr s LEU 149 N 0.63 3.12 -0.23 0.00 0.20 -0.05 -2.29 118.68 120.05 1qlr s LEU 149 Ca -0.05 -0.24 -0.09 0.00 0.69 0.00 0.00 54.13 54.44 1qlr s LEU 149 Cb -0.07 -1.78 -0.04 0.00 -0.43 0.00 0.00 46.19 43.88 1qlr s LEU 149 CO -0.03 0.08 0.11 0.00 -0.29 0.00 0.00 176.35 176.22 1qlr s ALA 150 N 0.91 3.41 0.10 5.97 0.00 -0.22 -2.00 121.76 129.93 1qlr s ALA 150 Ca 0.00 -0.95 0.04 0.00 0.00 0.00 0.00 51.96 51.05 1qlr s ALA 150 Cb -0.14 -2.16 -0.04 0.00 0.00 0.00 0.00 23.12 20.78 1qlr s ALA 150 CO 0.01 -0.23 -0.10 -1.14 0.00 0.00 0.00 175.76 174.31 1qlr s GLN 151 N 1.13 0.86 -1.23 0.00 0.74 -0.08 -1.24 119.66 119.84 1qlr s GLN 151 Ca 0.06 -1.20 -0.02 0.00 0.05 0.00 0.00 55.36 54.25 1qlr s GLN 151 Cb -0.14 -0.52 0.00 0.00 1.10 0.00 0.00 33.01 33.45 1qlr s GLN 151 CO 0.04 0.07 1.02 -0.25 -0.55 0.00 0.00 175.29 175.63 1qlr n ASP 152 N 0.45 -2.75 -4.60 6.67 8.00 -1.02 -0.84 116.55 122.46 1qlr n ASP 152 Ca -0.15 -0.61 -0.31 0.00 0.71 0.00 0.00 54.79 54.43 1qlr n ASP 152 Cb 0.58 -5.07 -0.10 0.00 -0.02 0.00 0.00 41.12 36.51 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 -3.36 2.82 -0.25 1.24 -0.12 -1.05 -4.59 117.98 112.67 1qlr s PHE 153 Ca 0.10 -0.10 -0.17 0.00 -0.05 0.00 0.00 56.93 56.71 1qlr s PHE 153 Cb -0.05 -1.51 0.07 0.00 -0.63 0.00 0.00 43.02 40.91 1qlr s PHE 153 CO 0.73 0.41 0.63 -1.17 -0.05 0.00 0.00 175.22 175.78 1qlr s LEU 154 N -1.94 -0.69 0.00 -1.99 2.96 -0.96 -1.54 118.68 114.52 1qlr s LEU 154 Ca 0.20 1.36 -0.13 0.00 -0.22 0.00 0.00 54.13 55.35 1qlr s LEU 154 Cb -0.11 2.18 0.18 0.00 0.50 0.00 0.00 46.19 48.94 1qlr s LEU 154 CO 0.12 -0.23 1.10 -0.81 -1.32 0.00 0.00 176.35 175.21 1qlr n PRO 155 N 3.91 -1.01 -2.35 0.98 -0.04 -1.26 -1.14 135.00 134.09 1qlr n PRO 155 Ca -0.19 -1.77 -0.43 0.00 -0.04 0.00 0.00 63.50 61.07 1qlr n PRO 155 Cb 0.57 -1.11 0.00 0.00 -0.04 0.00 0.00 33.50 32.93 1qlr n PRO 155 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1qlr n ASP 156 N -3.66 4.65 -3.48 3.54 2.03 -1.26 -4.79 116.55 113.57 1qlr n ASP 156 Ca 0.14 -2.91 -0.28 0.00 0.52 0.00 0.00 54.79 52.26 1qlr n ASP 156 Cb 0.49 -1.70 -0.12 0.00 -0.72 0.00 0.00 41.12 39.07 1qlr n ASP 156 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1qlr s SER 157 N 3.74 2.65 0.23 1.67 0.01 -1.26 -5.13 113.70 115.61 1qlr s SER 157 Ca 0.51 -2.54 0.12 0.00 1.31 0.00 0.00 55.95 55.34 1qlr s SER 157 Cb 0.07 -0.52 -0.05 0.00 0.21 0.00 0.00 66.02 65.73 1qlr s SER 157 CO 0.02 -0.26 -0.21 -0.51 0.41 0.00 0.00 173.24 172.69 1qlr s ILE 158 N 0.62 2.46 -0.02 1.44 -1.16 -1.26 -4.43 121.20 118.85 1qlr s ILE 158 Ca 0.22 -2.18 -0.03 0.00 -0.51 0.00 0.00 60.65 58.15 1qlr s ILE 158 Cb -0.15 -2.23 0.01 0.00 0.61 0.00 0.00 42.46 40.69 1qlr s ILE 158 CO -0.06 -0.25 0.08 -0.89 -2.81 0.00 0.00 174.94 171.02 1qlr s THR 159 N -2.05 0.02 0.07 4.00 2.01 -1.09 -4.95 115.64 113.65 1qlr s THR 159 Ca 0.25 -0.14 0.08 0.00 0.31 0.00 0.00 61.69 62.19 1qlr s THR 159 Cb -0.07 -0.16 -0.03 0.00 0.01 0.00 0.00 72.50 72.25 1qlr s THR 159 CO 0.12 -0.08 -0.21 -0.36 -0.69 0.00 0.00 174.62 173.41 1qlr s PHE 160 N -0.21 1.80 -0.03 4.92 0.40 -1.26 -1.38 117.98 122.22 1qlr s PHE 160 Ca -0.03 -0.39 -0.12 0.00 -0.60 0.00 0.00 56.93 55.79 1qlr s PHE 160 Cb -0.02 -1.03 0.02 0.00 0.51 0.00 0.00 43.02 42.50 1qlr s PHE 160 CO 0.00 0.15 0.26 -1.54 0.70 0.00 0.00 175.22 174.79 1qlr s SER 161 N -1.54 -0.16 -0.04 1.36 1.04 0.35 -5.00 113.70 109.71 1qlr s SER 161 Ca 0.07 0.12 0.05 0.00 0.48 0.00 0.00 55.95 56.68 1qlr s SER 161 Cb -0.09 0.35 -0.01 0.00 0.10 0.00 0.00 66.02 66.36 1qlr s SER 161 CO 0.03 -0.35 -0.20 0.26 0.98 0.00 0.00 173.24 173.96 1qlr s TRP 162 N -1.01 1.92 0.11 5.02 0.52 -1.26 -0.55 118.94 123.69 1qlr s TRP 162 Ca -0.11 -0.49 0.05 0.00 0.02 0.00 0.00 56.10 55.57 1qlr s TRP 162 Cb -0.05 -1.27 -0.04 0.00 -1.15 0.00 0.00 33.47 30.97 1qlr s TRP 162 CO 0.03 -0.13 -0.12 0.15 0.02 0.00 0.00 176.95 176.90 1qlr s LYS 163 N -0.21 0.93 0.61 4.98 1.02 0.04 -0.86 119.74 126.26 1qlr s LYS 163 Ca 0.01 -1.19 -0.10 0.00 0.02 0.00 0.00 55.97 54.71 1qlr s LYS 163 Cb -0.11 -0.71 -0.03 0.00 -0.52 0.00 0.00 37.83 36.46 1qlr s LYS 163 CO 0.01 0.13 0.99 0.71 -0.92 0.00 0.00 175.35 176.27 1qlr s TYR 164 N -2.25 3.54 0.24 3.18 2.02 -0.73 -0.31 117.35 123.04 1qlr s TYR 164 Ca 0.07 1.13 -0.05 0.00 -0.37 0.00 0.00 57.07 57.85 1qlr s TYR 164 Cb -0.04 -2.71 0.37 0.00 -0.40 0.00 0.00 41.96 39.18 1qlr s TYR 164 CO 0.02 -0.72 1.81 -0.22 -1.57 0.00 0.00 175.55 174.87 1qlr h LYS 165 N -0.28 0.75 -5.51 -0.62 3.64 -1.91 -2.83 116.57 109.81 1qlr h LYS 165 Ca -0.45 -0.05 -0.67 0.00 -1.27 0.00 0.00 60.65 58.22 1qlr h LYS 165 Cb 1.21 -0.17 -0.07 0.00 -0.41 0.00 0.00 32.23 32.79 1qlr h LYS 165 CO 0.62 0.50 2.32 0.27 -2.27 0.00 0.00 179.45 180.89 1qlr n ASN 166 N -4.75 4.65 0.00 4.20 6.94 -1.26 -4.88 115.26 120.16 1qlr n ASN 166 Ca 0.13 -2.89 0.00 0.00 -0.02 0.00 0.00 54.58 51.79 1qlr n ASN 166 Cb 0.26 -1.73 0.00 0.00 -2.36 0.00 0.00 39.78 35.95 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 8.25 0.00 -3.65 0.53 3.02 -1.07 -4.90 115.26 117.44 1qlr n ASN 167 Ca 0.49 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 55.03 1qlr n ASN 167 Cb 0.45 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.55 1qlr n ASN 167 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1qlr s SER 168 N 0.00 -0.02 0.39 6.41 1.04 -1.26 -4.97 113.70 115.29 1qlr s SER 168 Ca 0.00 0.03 -0.27 0.00 0.48 0.00 0.00 55.95 56.19 1qlr s SER 168 Cb 0.00 0.28 -0.10 0.00 0.10 0.00 0.00 66.02 66.30 1qlr s SER 168 CO 0.00 -0.01 1.44 -1.81 0.98 0.00 0.00 173.24 173.84 1qlr s ASP 169 N 0.27 6.29 0.23 7.02 1.11 -1.26 -1.77 116.67 128.56 1qlr s ASP 169 Ca 0.04 2.95 -0.12 0.00 0.18 0.00 0.00 52.55 55.60 1qlr s ASP 169 Cb -0.04 -2.66 -0.07 0.00 1.07 0.00 0.00 42.92 41.21 1qlr s ASP 169 CO -0.15 -0.89 0.58 -0.63 1.18 0.00 0.00 175.17 175.26 1qlr s ILE 170 N -1.15 4.87 0.00 0.77 1.01 -0.03 -4.85 121.20 121.81 1qlr s ILE 170 Ca 0.54 0.64 0.00 0.00 0.00 0.00 0.00 60.65 61.83 1qlr s ILE 170 Cb -0.45 -3.64 0.00 0.00 0.01 0.00 0.00 42.46 38.38 1qlr s ILE 170 CO 0.60 -0.02 0.04 -1.54 0.00 0.00 0.00 174.94 174.01 1qlr n SER 171 N 0.03 0.07 -4.23 3.58 3.41 -1.26 -4.69 113.62 110.53 1qlr n SER 171 Ca -0.00 -0.46 -0.43 0.00 -0.26 0.00 0.00 58.87 57.72 1qlr n SER 171 Cb 0.52 0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.59 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 -0.11 4.89 -4.42 4.04 3.41 -1.26 -4.91 113.62 115.27 1qlr n SER 172 Ca 0.00 -2.97 -0.26 0.00 -0.26 0.00 0.00 58.87 55.38 1qlr n SER 172 Cb 0.08 -1.61 -0.12 0.00 -0.26 0.00 0.00 64.21 62.30 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 2.26 2.30 -0.25 6.66 2.01 -1.26 -1.82 115.64 125.53 1qlr s THR 173 Ca 0.46 -2.05 -0.12 0.00 0.31 0.00 0.00 61.69 60.29 1qlr s THR 173 Cb 0.05 -2.10 0.09 0.00 0.01 0.00 0.00 72.50 70.54 1qlr s THR 173 CO 0.01 -0.16 0.59 -0.60 -0.69 0.00 0.00 174.62 173.77 1qlr s ARG 174 N -2.75 0.57 0.02 4.92 6.06 -0.40 -5.00 118.95 122.37 1qlr s ARG 174 Ca 0.21 1.16 0.06 0.00 -2.50 0.00 0.00 55.73 54.66 1qlr s ARG 174 Cb -0.07 0.29 -0.02 0.00 0.06 0.00 0.00 34.95 35.20 1qlr s ARG 174 CO 0.10 -0.17 -0.18 0.20 -2.50 0.00 0.00 175.30 172.74 1qlr s GLY 175 N 1.98 0.94 0.02 8.12 0.00 -1.26 -0.18 107.32 116.94 1qlr s GLY 175 Ca -0.08 -0.89 0.04 0.00 0.00 0.00 0.00 44.72 43.80 1qlr s GLY 175 CO -0.17 -0.80 -0.10 -1.36 0.00 0.00 0.00 173.10 170.67 1qlr s PHE 176 N -0.65 2.80 0.99 1.90 0.40 -1.15 -5.06 117.98 117.21 1qlr s PHE 176 Ca 0.06 -0.10 -0.14 0.00 -0.60 0.00 0.00 56.93 56.15 1qlr s PHE 176 Cb -0.08 -1.56 0.05 0.00 0.51 0.00 0.00 43.02 41.94 1qlr s PHE 176 CO 0.01 0.34 0.28 -2.30 0.70 0.00 0.00 175.22 174.25 1qlr n PRO 177 N 1.52 -0.60 -2.57 0.24 -0.02 -1.26 -4.45 135.00 127.87 1qlr n PRO 177 Ca -0.15 -0.14 -0.31 0.00 -2.02 0.00 0.00 63.50 60.87 1qlr n PRO 177 Cb 0.52 -1.80 -0.03 0.00 -0.02 0.00 0.00 33.50 32.17 1qlr n PRO 177 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1qlr s SER 178 N -1.95 6.55 0.18 2.55 0.01 -1.26 -4.71 113.70 115.07 1qlr s SER 178 Ca 0.56 1.37 0.09 0.00 1.31 0.00 0.00 55.95 59.28 1qlr s SER 178 Cb -0.19 -2.42 -0.04 0.00 0.21 0.00 0.00 66.02 63.58 1qlr s SER 178 CO 0.67 -0.52 -0.09 -0.69 0.41 0.00 0.00 173.24 173.02 1qlr s VAL 179 N -2.55 3.19 -0.42 3.43 1.01 -0.41 -4.92 120.40 119.74 1qlr s VAL 179 Ca 0.55 -1.67 -0.08 0.00 0.00 0.00 0.00 61.98 60.78 1qlr s VAL 179 Cb -0.10 -2.59 0.08 0.00 0.00 0.00 0.00 36.38 33.78 1qlr s VAL 179 CO 0.33 -0.12 0.25 -0.22 0.00 0.00 0.00 175.10 175.33 1qlr s LEU 180 N -2.86 5.15 -0.14 3.92 2.96 -1.26 -1.57 118.68 124.88 1qlr s LEU 180 Ca 0.25 -1.60 0.00 0.00 -0.22 0.00 0.00 54.13 52.56 1qlr s LEU 180 Cb -0.09 -1.95 0.02 0.00 0.50 0.00 0.00 46.19 44.67 1qlr s LEU 180 CO 0.15 -0.54 -0.11 0.00 -1.32 0.00 0.00 176.35 174.53 1qlr s ARG 181 N 1.37 1.98 -0.80 1.98 1.70 -0.84 -4.85 118.95 119.48 1qlr s ARG 181 Ca 0.03 -0.46 -0.01 0.00 -0.47 0.00 0.00 55.73 54.83 1qlr s ARG 181 Cb -0.23 -1.93 -0.01 0.00 -0.57 0.00 0.00 34.95 32.21 1qlr s ARG 181 CO 0.01 -0.26 0.68 0.41 -1.08 0.00 0.00 175.30 175.05 1qlr n GLY 182 N 4.83 -0.20 3.59 3.88 0.00 -1.26 -3.16 105.19 112.87 1qlr n GLY 182 Ca -0.15 0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 2.23 3.53 -0.02 0.00 -1.26 -4.94 105.19 103.59 1qlr n GLY 183 Ca -0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.57 1qlr n GLY 183 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1qlr n LYS 184 N -1.97 0.61 -4.51 1.61 5.02 -1.19 -4.52 118.16 113.22 1qlr n LYS 184 Ca 0.00 -3.62 -0.24 0.00 -2.02 0.00 0.00 58.31 52.43 1qlr n LYS 184 Cb 0.00 1.70 -0.11 0.00 -0.02 0.00 0.00 35.03 36.60 1qlr n LYS 184 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1qlr s TYR 185 N -3.07 2.21 0.06 2.13 1.51 -0.59 -1.99 117.35 117.62 1qlr s TYR 185 Ca 0.16 -0.67 -0.03 0.00 -1.01 0.00 0.00 57.07 55.52 1qlr s TYR 185 Cb 0.01 -1.36 -0.03 0.00 -0.11 0.00 0.00 41.96 40.47 1qlr s TYR 185 CO 0.11 0.37 0.03 0.00 -1.11 0.00 0.00 175.55 174.96 1qlr s ALA 186 N -2.86 0.30 -0.03 3.71 0.00 -0.61 -2.42 121.76 119.85 1qlr s ALA 186 Ca 0.33 -1.04 -0.29 0.00 0.00 0.00 0.00 51.96 50.95 1qlr s ALA 186 Cb 0.05 0.33 0.09 0.00 0.00 0.00 0.00 23.12 23.60 1qlr s ALA 186 CO 0.15 -0.41 0.78 0.00 0.00 0.00 0.00 175.76 176.28 1qlr s ALA 187 N -3.90 -1.79 0.05 0.00 0.00 -0.38 -1.29 121.76 114.46 1qlr s ALA 187 Ca 0.06 1.17 0.03 0.00 0.00 0.00 0.00 51.96 53.23 1qlr s ALA 187 Cb 0.07 0.07 -0.03 0.00 0.00 0.00 0.00 23.12 23.23 1qlr s ALA 187 CO -0.10 -0.49 -0.09 0.95 0.00 0.00 0.00 175.76 176.03 1qlr s THR 188 N -2.00 0.70 0.00 0.00 -4.23 -1.26 -1.06 115.64 107.79 1qlr s THR 188 Ca -0.04 -1.20 0.02 0.00 -1.18 0.00 0.00 61.69 59.29 1qlr s THR 188 Cb -0.00 -0.81 -0.01 0.00 1.34 0.00 0.00 72.50 73.02 1qlr s THR 188 CO 0.00 -0.38 -0.07 -0.55 -0.54 0.00 0.00 174.62 173.08 1qlr s SER 189 N -1.73 0.84 0.08 3.99 0.15 -0.97 -2.92 113.70 113.13 1qlr s SER 189 Ca -0.06 -0.17 0.04 0.00 0.70 0.00 0.00 55.95 56.46 1qlr s SER 189 Cb -0.09 -0.08 -0.03 0.00 -1.71 0.00 0.00 66.02 64.11 1qlr s SER 189 CO 0.01 0.06 -0.11 0.00 1.20 0.00 0.00 173.24 174.39 1qlr s GLN 190 N -0.31 0.78 0.05 5.44 -2.07 0.75 -1.27 119.66 123.02 1qlr s GLN 190 Ca 0.02 -1.01 0.09 0.00 -1.82 0.00 0.00 55.36 52.63 1qlr s GLN 190 Cb -0.03 -0.61 -0.03 0.00 -1.09 0.00 0.00 33.01 31.24 1qlr s GLN 190 CO -0.00 0.12 -0.25 0.14 -1.32 0.00 0.00 175.29 173.98 1qlr s VAL 191 N -1.79 2.28 -0.31 3.63 -7.23 0.32 -1.28 120.40 116.01 1qlr s VAL 191 Ca -0.00 -1.35 0.01 0.00 -1.81 0.00 0.00 61.98 58.82 1qlr s VAL 191 Cb -0.07 -1.90 0.07 0.00 0.56 0.00 0.00 36.38 35.04 1qlr s VAL 191 CO 0.01 0.36 0.00 -0.76 -0.31 0.00 0.00 175.10 174.40 1qlr s LEU 192 N -1.29 4.11 -0.11 1.32 1.02 -0.76 -1.60 118.68 121.37 1qlr s LEU 192 Ca 0.12 -1.59 -0.04 0.00 0.02 0.00 0.00 54.13 52.64 1qlr s LEU 192 Cb -0.10 -1.66 -0.04 0.00 0.02 0.00 0.00 46.19 44.41 1qlr s LEU 192 CO 0.03 -0.30 0.05 -0.76 0.02 0.00 0.00 176.35 175.39 1qlr s LEU 193 N 1.12 3.84 -0.01 1.79 1.43 0.20 -4.77 118.68 122.27 1qlr s LEU 193 Ca -0.01 0.22 -0.20 0.00 -1.03 0.00 0.00 54.13 53.11 1qlr s LEU 193 Cb -0.20 -1.91 -0.28 0.00 0.03 0.00 0.00 46.19 43.83 1qlr s LEU 193 CO -0.04 0.35 1.01 1.55 0.23 0.00 0.00 176.35 179.45 1qlr h PRO 194 N 5.38 0.39 0.00 1.29 0.13 -2.00 1.88 132.00 139.08 1qlr h PRO 194 Ca -0.49 -0.53 0.00 0.00 -0.87 0.00 0.00 66.00 64.11 1qlr h PRO 194 Cb 1.20 0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.51 1qlr h PRO 194 CO 0.58 1.21 0.00 0.25 -0.23 0.00 0.00 178.00 179.81 1qlr n THR 202 N -4.12 0.00 -3.64 1.56 -2.24 -1.26 -4.80 114.28 99.78 1qlr n THR 202 Ca -0.12 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.60 1qlr n THR 202 Cb 0.79 -0.59 -0.07 0.00 -2.10 0.00 0.00 70.33 68.36 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 -0.48 -0.24 0.00 3.42 1.01 -1.26 -5.06 116.67 114.07 1qlr s ASP 203 Ca 0.00 0.45 0.20 0.00 0.71 0.00 0.00 52.55 53.91 1qlr s ASP 203 Cb 0.00 0.50 0.05 0.00 1.01 0.00 0.00 42.92 44.48 1qlr s ASP 203 CO 0.00 -0.08 1.04 -0.62 0.21 0.00 0.00 175.17 175.72 1qlr n GLU 204 N 1.98 1.59 -3.82 8.23 4.71 -1.26 -4.95 120.64 127.12 1qlr n GLU 204 Ca -0.12 -1.19 -0.06 0.00 -0.01 0.00 0.00 57.16 55.78 1qlr n GLU 204 Cb 0.56 -1.39 -0.00 0.00 -1.01 0.00 0.00 31.44 29.61 1qlr n GLU 204 CO 0.00 0.00 0.00 -3.38 0.09 0.00 0.00 177.13 173.84 1qlr s HIS 205 N -2.04 -0.06 0.10 -0.32 -3.43 -1.26 -3.56 115.29 104.71 1qlr s HIS 205 Ca 0.19 -0.39 0.02 0.00 -0.80 0.00 0.00 55.06 54.08 1qlr s HIS 205 Cb 0.16 0.72 -0.04 0.00 -1.43 0.00 0.00 32.58 31.99 1qlr s HIS 205 CO 0.41 -1.13 -0.07 0.54 -2.00 0.00 0.00 174.74 172.49 1qlr s VAL 206 N -3.10 0.70 -0.11 -5.38 0.11 -0.80 -4.02 120.40 107.81 1qlr s VAL 206 Ca 0.14 -1.87 0.01 0.00 -2.93 0.00 0.00 61.98 57.33 1qlr s VAL 206 Cb -0.04 -1.61 -0.02 0.00 -1.53 0.00 0.00 36.38 33.19 1qlr s VAL 206 CO 0.06 -0.83 -0.15 -0.69 -3.33 0.00 0.00 175.10 170.16 1qlr s VAL 207 N -3.44 2.88 -0.34 2.04 1.01 0.57 -0.27 120.40 122.85 1qlr s VAL 207 Ca 0.10 -0.74 -0.11 0.00 0.00 0.00 0.00 61.98 61.24 1qlr s VAL 207 Cb 0.04 -2.18 0.01 0.00 0.00 0.00 0.00 36.38 34.25 1qlr s VAL 207 CO -0.04 0.54 0.19 0.00 0.00 0.00 0.00 175.10 175.79 1qlr s LYS 209 N 1.59 2.57 0.07 0.00 1.02 0.29 -2.09 119.74 123.19 1qlr s LYS 209 Ca 0.03 -0.65 0.06 0.00 0.02 0.00 0.00 55.97 55.44 1qlr s LYS 209 Cb -0.18 -2.44 -0.03 0.00 -0.52 0.00 0.00 37.83 34.66 1qlr s LYS 209 CO 0.07 0.64 -0.17 0.14 -0.92 0.00 0.00 175.35 175.10 1qlr s VAL 210 N -0.76 1.39 -0.02 3.17 -7.23 -0.90 -0.49 120.40 115.56 1qlr s VAL 210 Ca 0.12 -1.27 0.06 0.00 -1.81 0.00 0.00 61.98 59.08 1qlr s VAL 210 Cb -0.11 -1.27 -0.02 0.00 0.56 0.00 0.00 36.38 35.54 1qlr s VAL 210 CO 0.01 -0.03 -0.21 -1.10 -0.31 0.00 0.00 175.10 173.46 1qlr s GLN 211 N -1.51 2.24 -0.01 4.82 -0.21 -0.48 -1.92 119.66 122.59 1qlr s GLN 211 Ca 0.03 -0.86 -0.18 0.00 0.02 0.00 0.00 55.36 54.37 1qlr s GLN 211 Cb -0.09 -2.18 0.03 0.00 1.00 0.00 0.00 33.01 31.77 1qlr s GLN 211 CO 0.02 0.58 0.39 -1.58 -2.12 0.00 0.00 175.29 172.59 1qlr s HIS 212 N -0.71 -0.28 0.19 0.91 2.46 -1.24 -2.68 115.29 113.94 1qlr s HIS 212 Ca 0.11 0.40 -0.16 0.00 0.47 0.00 0.00 55.06 55.88 1qlr s HIS 212 Cb -0.10 0.17 0.16 0.00 -0.13 0.00 0.00 32.58 32.68 1qlr s HIS 212 CO 0.01 -0.47 1.63 -1.00 -2.47 0.00 0.00 174.74 172.44 1qlr h PRO 213 N 3.51 -0.05 0.00 2.88 0.13 -1.94 -0.89 132.00 135.64 1qlr h PRO 213 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1qlr h PRO 213 Cb 1.18 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1qlr h PRO 213 CO 0.41 -0.03 0.00 0.09 -0.23 0.00 0.00 178.00 178.24 1qlr n ASN 214 N -5.39 0.00 0.00 1.44 3.02 -1.26 -4.85 115.26 108.22 1qlr n ASN 214 Ca 0.05 -1.58 0.00 0.00 -0.03 0.00 0.00 54.58 53.01 1qlr n ASN 214 Cb 0.30 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.47 1qlr n ASN 214 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1qlr n GLY 215 N 0.35 3.42 3.82 7.41 0.00 -0.34 -4.59 105.19 115.27 1qlr n GLY 215 Ca 0.02 -0.20 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 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 6.88 0.04 1.61 -0.87 -1.26 -3.73 114.94 117.61 1qlr s ASN 216 Ca 0.00 1.67 -0.01 0.00 -1.57 0.00 0.00 52.86 52.95 1qlr s ASN 216 Cb 0.00 -2.53 -0.03 0.00 -0.02 0.00 0.00 41.25 38.66 1qlr s ASN 216 CO 0.00 -0.40 -0.01 -0.54 -2.57 0.00 0.00 177.10 173.58 1qlr s LYS 217 N -3.33 0.54 0.17 -0.60 -0.14 -0.81 -4.97 119.74 110.60 1qlr s LYS 217 Ca 0.62 -1.00 0.07 0.00 -1.36 0.00 0.00 55.97 54.29 1qlr s LYS 217 Cb -0.09 0.19 -0.04 0.00 -1.68 0.00 0.00 37.83 36.20 1qlr s LYS 217 CO 0.16 -0.10 -0.15 -1.21 -0.76 0.00 0.00 175.35 173.29 1qlr s GLU 218 N -3.14 1.22 -0.28 1.68 2.02 -1.26 -2.13 118.70 116.81 1qlr s GLU 218 Ca -0.00 -1.46 -0.17 0.00 0.02 0.00 0.00 54.97 53.36 1qlr s GLU 218 Cb 0.02 -1.06 0.11 0.00 0.10 0.00 0.00 34.13 33.30 1qlr s GLU 218 CO -0.07 0.19 0.83 0.21 0.02 0.00 0.00 175.26 176.44 1qlr s LYS 219 N -3.27 0.56 0.01 1.61 2.47 -0.89 -4.99 119.74 115.24 1qlr s LYS 219 Ca 0.18 0.94 -0.21 0.00 -1.56 0.00 0.00 55.97 55.32 1qlr s LYS 219 Cb -0.02 0.12 -0.06 0.00 -1.46 0.00 0.00 37.83 36.42 1qlr s LYS 219 CO 0.05 -0.11 0.61 -0.80 0.16 0.00 0.00 175.35 175.26 1qlr s ASN 220 N 1.42 7.01 -0.28 1.43 0.01 -1.26 -1.11 114.94 122.15 1qlr s ASN 220 Ca -0.09 1.20 -0.04 0.00 -0.71 0.00 0.00 52.86 53.22 1qlr s ASN 220 Cb -0.04 -2.37 0.03 0.00 0.41 0.00 0.00 41.25 39.27 1qlr s ASN 220 CO -0.17 0.11 0.01 -0.69 -1.51 0.00 0.00 177.10 174.86 1qlr s VAL 221 N -0.28 3.32 0.62 1.60 1.01 0.62 -4.90 120.40 122.39 1qlr s VAL 221 Ca 0.31 -1.00 -0.19 0.00 0.00 0.00 0.00 61.98 61.11 1qlr s VAL 221 Cb -0.19 -2.75 -0.02 0.00 0.00 0.00 0.00 36.38 33.42 1qlr s VAL 221 CO 0.18 0.07 1.29 -0.81 0.00 0.00 0.00 175.10 175.83 1qlr n PRO 222 N 4.73 1.24 -3.46 2.72 -0.04 -1.26 -1.90 135.00 137.03 1qlr n PRO 222 Ca -0.15 0.48 -0.37 0.00 -0.04 0.00 0.00 63.50 63.41 1qlr n PRO 222 Cb 0.46 -2.52 -0.06 0.00 -0.04 0.00 0.00 33.50 31.34 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 -3.99 4.45 0.61 1.53 1.43 -1.23 -4.89 118.68 116.58 1qlr s LEU 223 Ca 0.80 1.00 0.00 0.00 -1.03 0.00 0.00 54.13 54.90 1qlr s LEU 223 Cb -0.39 -2.78 0.06 0.00 0.03 0.00 0.00 46.19 43.11 1qlr s LEU 223 CO 0.43 0.27 0.85 -2.16 0.23 0.00 0.00 176.35 175.96 1qlr s PRO 224 N -1.32 2.31 0.00 1.29 0.04 -1.26 -5.02 135.00 131.04 1qlr s PRO 224 Ca 0.28 -0.81 0.00 0.00 0.04 0.00 0.00 61.00 60.51 1qlr s PRO 224 Cb -0.16 -2.42 0.00 0.00 0.04 0.00 0.00 34.50 31.96 1qlr s PRO 224 CO 0.16 -0.94 0.00 1.55 0.04 0.00 0.00 177.00 177.81