#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xby n PRO 4 N 0.00 1.49 -2.63 3.23 -0.02 -1.25 -4.96 135.00 130.85 1xby n PRO 4 Ca 0.00 0.52 -0.26 0.00 -2.02 0.00 0.00 63.50 61.74 1xby n PRO 4 Cb 0.00 -2.00 0.01 0.00 -0.02 0.00 0.00 33.50 31.49 1xby n PRO 4 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 1xby s MET 5 N -1.03 3.21 -0.20 -0.52 -1.94 -0.31 -4.88 119.30 113.63 1xby s MET 5 Ca 0.64 -0.02 -0.04 0.00 -1.71 0.00 0.00 55.69 54.56 1xby s MET 5 Cb -0.72 -2.38 -0.01 0.00 2.01 0.00 0.00 34.83 33.72 1xby s MET 5 CO 0.56 -0.40 -0.04 -1.17 -0.01 0.00 0.00 175.02 173.96 1xby s LEU 6 N -4.79 3.00 -0.16 -0.03 2.96 -1.26 -0.93 118.68 117.47 1xby s LEU 6 Ca 0.50 -0.32 -0.02 0.00 -0.22 0.00 0.00 54.13 54.07 1xby s LEU 6 Cb -0.10 -1.75 -0.02 0.00 0.50 0.00 0.00 46.19 44.82 1xby s LEU 6 CO 0.43 0.03 -0.08 -1.58 -1.32 0.00 0.00 176.35 173.84 1xby s GLN 7 N 1.18 3.49 -0.14 1.98 0.74 0.08 -0.74 119.66 126.25 1xby s GLN 7 Ca 0.02 -0.61 -0.13 0.00 0.05 0.00 0.00 55.36 54.69 1xby s GLN 7 Cb -0.14 -2.81 -0.05 0.00 1.10 0.00 0.00 33.01 31.11 1xby s GLN 7 CO -0.00 0.14 0.27 0.54 -0.55 0.00 0.00 175.29 175.69 1xby s VAL 8 N 0.58 5.31 -0.22 1.34 0.11 -0.69 -0.88 120.40 125.94 1xby s VAL 8 Ca -0.05 0.51 -0.14 0.00 -2.93 0.00 0.00 61.98 59.36 1xby s VAL 8 Cb -0.15 -3.60 -0.04 0.00 -1.53 0.00 0.00 36.38 31.06 1xby s VAL 8 CO 0.03 0.45 0.32 0.00 -3.33 0.00 0.00 175.10 172.57 1xby s ALA 9 N 0.07 3.57 -1.09 1.54 0.00 -0.73 -1.06 121.76 124.06 1xby s ALA 9 Ca 0.16 -0.69 -0.11 0.00 0.00 0.00 0.00 51.96 51.33 1xby s ALA 9 Cb -0.13 -2.56 0.24 0.00 0.00 0.00 0.00 23.12 20.67 1xby s ALA 9 CO 0.04 -0.33 1.15 -0.51 0.00 0.00 0.00 175.76 176.11 1xby s LEU 10 N 1.38 6.04 -1.20 0.00 1.43 0.16 -4.57 118.68 121.91 1xby s LEU 10 Ca 0.15 -3.28 -0.07 0.00 -1.03 0.00 0.00 54.13 49.90 1xby s LEU 10 Cb -0.15 -2.26 0.22 0.00 0.03 0.00 0.00 46.19 44.04 1xby s LEU 10 CO 0.07 -0.46 1.74 0.47 0.23 0.00 0.00 176.35 178.40 1xby n ASP 11 N 3.71 5.73 -4.40 2.29 8.00 -1.26 -1.13 116.55 129.49 1xby n ASP 11 Ca 0.26 -3.24 -0.28 0.00 0.71 0.00 0.00 54.79 52.23 1xby n ASP 11 Cb 0.41 -1.39 -0.13 0.00 -0.02 0.00 0.00 41.12 40.00 1xby n ASP 11 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1xby s ASN 12 N -0.25 3.34 0.33 -2.24 0.01 -1.26 -4.88 114.94 109.99 1xby s ASN 12 Ca 0.37 -0.79 0.19 0.00 -0.71 0.00 0.00 52.86 51.91 1xby s ASN 12 Cb 0.08 -0.23 0.17 0.00 0.41 0.00 0.00 41.25 41.68 1xby s ASN 12 CO 0.04 0.16 1.47 1.56 -1.51 0.00 0.00 177.10 178.82 1xby h GLN 13 N 3.65 0.00 -4.13 -0.60 4.20 -1.93 -2.80 115.11 113.49 1xby h GLN 13 Ca -0.49 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.06 1xby h GLN 13 Cb 1.18 0.00 -0.19 0.00 0.30 0.00 0.00 27.48 28.78 1xby h GLN 13 CO 0.42 0.27 -0.69 0.95 -0.67 0.00 0.00 178.83 179.11 1xby s THR 14 N -3.08 0.20 0.22 -0.54 -4.23 -1.26 -4.20 115.64 102.75 1xby s THR 14 Ca 0.05 -1.30 -0.08 0.00 -1.18 0.00 0.00 61.69 59.18 1xby s THR 14 Cb 0.07 -0.81 0.18 0.00 1.34 0.00 0.00 72.50 73.28 1xby s THR 14 CO 0.72 -0.70 1.87 0.24 -0.54 0.00 0.00 174.62 176.21 1xby h MET 15 N 4.01 0.98 -0.48 3.99 2.86 -1.95 -2.28 114.93 122.06 1xby h MET 15 Ca -0.33 -0.06 -0.05 0.00 -2.06 0.00 0.00 59.70 57.20 1xby h MET 15 Cb 1.18 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 32.60 1xby h MET 15 CO 0.51 0.65 0.07 0.38 1.06 0.00 0.00 176.91 179.59 1xby h ASP 16 N 1.01 0.70 -0.61 1.22 2.03 -1.99 -0.33 116.42 118.45 1xby h ASP 16 Ca 0.32 -0.13 -0.00 0.00 -0.73 0.00 0.00 57.03 56.48 1xby h ASP 16 Cb -0.00 -0.18 -0.03 0.00 -0.83 0.00 0.00 39.33 38.28 1xby h ASP 16 CO -0.11 0.72 0.38 -1.28 -1.03 0.00 0.00 179.24 177.93 1xby h SER 17 N 0.72 0.73 -0.97 4.15 0.87 -1.93 -2.49 113.55 114.63 1xby h SER 17 Ca 0.15 -0.05 0.01 0.00 -1.23 0.00 0.00 61.79 60.67 1xby h SER 17 Cb 0.33 -0.18 -0.05 0.00 -0.44 0.00 0.00 62.40 62.06 1xby h SER 17 CO 0.01 0.56 0.63 0.00 -0.53 0.00 0.00 176.83 177.50 1xby h ALA 18 N 1.20 1.23 0.00 6.23 0.00 -0.72 -2.55 119.26 124.64 1xby h ALA 18 Ca 0.22 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1xby h ALA 18 Cb -0.04 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.35 1xby h ALA 18 CO -0.04 0.64 -0.29 1.88 0.00 0.00 0.00 179.25 181.44 1xby h TYR 19 N 1.32 0.00 -0.73 0.00 0.05 -0.88 0.41 116.97 117.14 1xby h TYR 19 Ca 0.35 0.00 0.11 0.00 0.05 0.00 0.00 58.73 59.24 1xby h TYR 19 Cb -0.13 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 37.56 1xby h TYR 19 CO -0.00 0.29 0.48 0.93 -1.05 0.00 0.00 178.16 178.81 1xby h GLU 20 N 0.00 0.55 0.00 4.88 5.08 -1.01 -0.58 114.58 123.51 1xby h GLU 20 Ca -0.00 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 1xby h GLU 20 Cb 0.57 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1xby h GLU 20 CO 0.04 0.36 -0.27 1.15 -1.00 0.00 0.00 179.01 179.29 1xby h THR 21 N 0.56 0.93 -0.43 1.13 2.02 -1.05 -3.38 112.91 112.70 1xby h THR 21 Ca 0.34 -1.78 0.04 0.00 0.77 0.00 0.00 66.41 65.78 1xby h THR 21 Cb 0.58 1.85 -0.02 0.00 -1.74 0.00 0.00 68.15 68.81 1xby h THR 21 CO -0.12 0.32 0.29 0.71 0.37 0.00 0.00 175.52 177.08 1xby h THR 22 N -1.00 1.01 0.00 3.16 1.35 -0.89 -1.03 112.91 115.50 1xby h THR 22 Ca -0.06 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.66 1xby h THR 22 Cb 0.71 0.56 0.00 0.00 -1.73 0.00 0.00 68.15 67.68 1xby h THR 22 CO -0.04 0.08 0.00 0.08 -0.25 0.00 0.00 175.52 175.39 1xby h ARG 23 N 0.41 0.00 0.08 4.72 0.11 -1.30 -1.34 114.38 117.07 1xby h ARG 23 Ca 0.18 0.00 -0.28 0.00 0.10 0.00 0.00 59.98 59.98 1xby h ARG 23 Cb 0.19 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.26 1xby h ARG 23 CO -0.04 0.00 -1.46 -0.07 0.10 0.00 0.00 179.97 178.50 1xby h LEU 24 N 0.00 0.27 -2.06 0.08 3.38 -1.39 -3.45 115.31 112.14 1xby h LEU 24 Ca 0.00 -0.79 0.00 0.00 0.09 0.00 0.00 57.88 57.18 1xby h LEU 24 Cb 0.33 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1xby h LEU 24 CO 0.00 1.62 0.00 2.30 0.09 0.00 0.00 178.44 182.45 1xby n ILE 25 N -3.99 0.56 -0.28 1.22 -6.64 -0.75 -4.76 119.36 104.72 1xby n ILE 25 Ca -0.28 -0.67 0.13 0.00 -1.77 0.00 0.00 62.75 60.16 1xby n ILE 25 Cb 0.86 0.78 0.38 0.00 -1.44 0.00 0.00 39.64 40.22 1xby n ILE 25 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1xby h ALA 26 N 0.00 1.84 -0.04 -1.28 0.00 -1.47 0.11 119.26 118.43 1xby h ALA 26 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1xby h ALA 26 Cb 0.47 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1xby h ALA 26 CO 0.00 -0.10 0.00 0.39 0.00 0.00 0.00 179.25 179.54 1xby n GLU 27 N -4.58 1.72 0.00 0.00 -0.58 -1.26 -3.64 120.64 112.30 1xby n GLU 27 Ca 0.18 -1.05 0.12 0.00 -0.42 0.00 0.00 57.16 55.99 1xby n GLU 27 Cb 0.50 -1.47 0.11 0.00 -0.57 0.00 0.00 31.44 30.00 1xby n GLU 27 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1xby n GLU 28 N 0.28 2.28 -4.26 3.49 -0.58 0.38 -4.97 120.64 117.25 1xby n GLU 28 Ca 0.18 -1.88 -0.14 0.00 -0.42 0.00 0.00 57.16 54.90 1xby n GLU 28 Cb 0.37 -1.46 -0.10 0.00 -0.57 0.00 0.00 31.44 29.68 1xby n GLU 28 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 1xby s VAL 29 N -2.01 0.52 -0.18 2.62 -7.23 -1.19 -4.76 120.40 108.16 1xby s VAL 29 Ca 0.28 -1.99 0.02 0.00 -1.81 0.00 0.00 61.98 58.48 1xby s VAL 29 Cb 0.20 -2.38 -0.22 0.00 0.56 0.00 0.00 36.38 34.54 1xby s VAL 29 CO 0.31 -0.22 0.10 0.47 -0.31 0.00 0.00 175.10 175.46 1xby n ASP 30 N -0.33 1.68 -4.07 4.85 8.00 0.08 -4.96 116.55 121.79 1xby n ASP 30 Ca -0.03 0.05 -0.25 0.00 0.71 0.00 0.00 54.79 55.28 1xby n ASP 30 Cb 0.65 -0.36 -0.16 0.00 -0.02 0.00 0.00 41.12 41.22 1xby n ASP 30 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1xby s ILE 31 N -2.54 1.24 -0.28 0.53 1.01 -0.93 -3.36 121.20 116.87 1xby s ILE 31 Ca -0.25 -0.58 -0.09 0.00 0.00 0.00 0.00 60.65 59.74 1xby s ILE 31 Cb 0.08 -1.09 -0.02 0.00 0.01 0.00 0.00 42.46 41.43 1xby s ILE 31 CO 0.71 0.37 0.12 -0.63 0.00 0.00 0.00 174.94 175.51 1xby s ILE 32 N 0.33 4.53 -0.22 2.92 1.01 0.15 -1.70 121.20 128.22 1xby s ILE 32 Ca -0.09 -0.26 -0.12 0.00 0.00 0.00 0.00 60.65 60.18 1xby s ILE 32 Cb -0.13 -3.22 -0.05 0.00 0.01 0.00 0.00 42.46 39.08 1xby s ILE 32 CO 0.03 0.20 0.25 -0.70 0.00 0.00 0.00 174.94 174.72 1xby s GLU 33 N 1.63 4.14 -0.69 2.79 2.12 -0.22 -1.36 118.70 127.10 1xby s GLU 33 Ca 0.06 -0.08 -0.27 0.00 0.36 0.00 0.00 54.97 55.03 1xby s GLU 33 Cb -0.16 -3.51 0.03 0.00 0.26 0.00 0.00 34.13 30.74 1xby s GLU 33 CO 0.06 0.07 1.31 0.08 -0.54 0.00 0.00 175.26 176.23 1xby s VAL 34 N 1.00 3.76 0.90 3.70 1.01 0.46 -0.67 120.40 130.57 1xby s VAL 34 Ca 0.12 0.51 -0.11 0.00 0.00 0.00 0.00 61.98 62.50 1xby s VAL 34 Cb -0.14 -4.79 0.13 0.00 0.00 0.00 0.00 36.38 31.58 1xby s VAL 34 CO 0.05 -1.66 1.10 -0.83 0.00 0.00 0.00 175.10 173.76 1xby s GLY 35 N 3.89 1.64 0.35 4.51 0.00 -0.29 -1.35 107.32 116.07 1xby s GLY 35 Ca 0.40 0.14 0.04 0.00 0.00 0.00 0.00 44.72 45.29 1xby s GLY 35 CO 0.18 0.60 1.97 -0.84 0.00 0.00 0.00 173.10 175.01 1xby h THR 36 N -1.64 1.08 -0.56 0.90 2.02 -1.84 0.70 112.91 113.57 1xby h THR 36 Ca -0.48 -0.29 -0.04 0.00 0.77 0.00 0.00 66.41 66.37 1xby h THR 36 Cb 1.27 0.17 -0.03 0.00 -1.74 0.00 0.00 68.15 67.83 1xby h THR 36 CO 0.51 0.15 0.18 0.40 0.37 0.00 0.00 175.52 177.12 1xby h ILE 37 N 0.83 1.22 0.04 3.11 2.04 -1.86 -0.68 117.51 122.21 1xby h ILE 37 Ca 0.30 -0.74 -0.24 0.00 1.00 0.00 0.00 64.86 65.17 1xby h ILE 37 Cb 0.13 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 36.82 1xby h ILE 37 CO -0.09 0.28 -1.04 0.25 0.00 0.00 0.00 178.15 177.56 1xby h LEU 38 N 0.81 0.52 -0.93 1.44 5.85 -0.72 0.06 115.31 122.35 1xby h LEU 38 Ca 0.19 -0.45 -0.00 0.00 0.84 0.00 0.00 57.88 58.45 1xby h LEU 38 Cb 0.24 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.06 1xby h LEU 38 CO -0.01 1.28 0.57 0.00 -0.34 0.00 0.00 178.44 179.93 1xby h VAL 40 N 1.27 1.52 -0.11 0.00 2.07 -1.01 0.12 116.25 120.11 1xby h VAL 40 Ca 0.33 -2.88 -0.05 0.00 0.82 0.00 0.00 66.70 64.92 1xby h VAL 40 Cb -0.06 2.69 -0.00 0.00 -1.52 0.00 0.00 31.29 32.40 1xby h VAL 40 CO -0.06 0.84 -0.13 1.23 0.02 0.00 0.00 177.57 179.47 1xby h GLY 41 N 1.85 0.31 0.00 2.17 0.00 -0.63 -3.39 103.07 103.37 1xby h GLY 41 Ca -0.08 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 46.93 1xby h GLY 41 CO 0.16 0.29 -1.00 1.18 0.00 0.00 0.00 176.54 177.17 1xby n GLU 42 N -4.60 1.27 0.00 4.80 -0.58 0.02 -4.94 120.64 116.61 1xby n GLU 42 Ca -0.07 -0.03 0.00 0.00 -0.42 0.00 0.00 57.16 56.64 1xby n GLU 42 Cb 0.35 -1.03 0.00 0.00 -0.57 0.00 0.00 31.44 30.20 1xby n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xby n GLY 43 N 2.00 -1.71 0.10 0.62 0.00 0.40 -4.24 105.19 102.36 1xby n GLY 43 Ca -0.00 -1.32 0.10 0.00 0.00 0.00 0.00 46.02 44.80 1xby n GLY 43 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1xby n VAL 44 N -0.34 0.94 -0.05 1.61 3.14 -1.26 -1.34 118.33 121.03 1xby n VAL 44 Ca 0.00 0.31 0.20 0.00 -2.96 0.00 0.00 64.34 61.88 1xby n VAL 44 Cb 0.00 -1.21 0.65 0.00 -1.06 0.00 0.00 33.84 32.22 1xby n VAL 44 CO 0.00 0.00 0.00 0.08 -6.46 0.00 0.00 176.83 170.45 1xby h ARG 45 N 0.00 0.10 -0.94 1.45 0.11 -1.97 -1.33 114.38 111.80 1xby h ARG 45 Ca 0.00 -0.01 -0.01 0.00 0.10 0.00 0.00 59.98 60.07 1xby h ARG 45 Cb 0.28 -0.02 -0.04 0.00 1.11 0.00 0.00 29.97 31.29 1xby h ARG 45 CO 0.00 0.06 0.55 0.00 0.10 0.00 0.00 179.97 180.68 1xby h ALA 46 N 1.70 1.21 -0.14 0.08 0.00 -1.46 0.47 119.26 121.12 1xby h ALA 46 Ca 0.29 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1xby h ALA 46 Cb 1.01 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 1xby h ALA 46 CO -0.03 0.67 -0.04 0.28 0.00 0.00 0.00 179.25 180.12 1xby h VAL 47 N 1.30 1.30 -0.63 0.00 2.07 -1.46 -1.90 116.25 116.93 1xby h VAL 47 Ca 0.33 -1.02 -0.05 0.00 0.82 0.00 0.00 66.70 66.79 1xby h VAL 47 Cb -0.03 1.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 1xby h VAL 47 CO -0.06 0.30 0.20 -0.09 0.02 0.00 0.00 177.57 177.94 1xby h ARG 48 N -0.03 0.97 -0.13 1.57 2.43 -1.14 -1.15 114.38 116.89 1xby h ARG 48 Ca 0.03 -0.20 -0.03 0.00 -0.81 0.00 0.00 59.98 58.97 1xby h ARG 48 Cb 0.48 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.89 1xby h ARG 48 CO 0.02 0.85 -0.03 -0.44 -1.51 0.00 0.00 179.97 178.85 1xby h ASP 49 N 0.89 0.25 -0.34 -3.80 3.32 -0.92 -2.16 116.42 113.67 1xby h ASP 49 Ca 0.20 -0.37 -0.12 0.00 0.02 0.00 0.00 57.03 56.76 1xby h ASP 49 Cb 0.28 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 1xby h ASP 49 CO -0.01 0.57 -0.23 -0.07 -1.72 0.00 0.00 179.24 177.79 1xby h LEU 50 N -0.06 0.85 -1.23 1.55 3.38 -1.18 -1.70 115.31 116.92 1xby h LEU 50 Ca 0.03 -0.32 -0.06 0.00 0.09 0.00 0.00 57.88 57.63 1xby h LEU 50 Cb 0.46 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1xby h LEU 50 CO 0.01 1.05 -0.12 0.50 0.09 0.00 0.00 178.44 179.97 1xby h LYS 51 N 0.73 0.38 -0.57 1.13 1.63 -1.21 -0.69 116.57 117.97 1xby h LYS 51 Ca 0.10 -0.10 -0.10 0.00 -0.85 0.00 0.00 60.65 59.70 1xby h LYS 51 Cb 0.76 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 32.32 1xby h LYS 51 CO 0.06 0.51 -0.03 0.00 -3.45 0.00 0.00 179.45 176.55 1xby h ALA 52 N 1.52 0.87 -0.23 5.00 0.00 -0.98 -1.50 119.26 123.93 1xby h ALA 52 Ca 0.07 -0.32 -0.14 0.00 0.00 0.00 0.00 54.91 54.53 1xby h ALA 52 Cb 0.44 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1xby h ALA 52 CO 0.03 0.66 -0.43 -0.07 0.00 0.00 0.00 179.25 179.44 1xby h LEU 53 N 0.92 0.61 -5.79 0.00 3.38 -0.93 -3.38 115.31 110.13 1xby h LEU 53 Ca 0.16 -0.28 -0.51 0.00 0.09 0.00 0.00 57.88 57.34 1xby h LEU 53 Cb 0.57 -0.17 -0.41 0.00 0.09 0.00 0.00 40.66 40.75 1xby h LEU 53 CO 0.03 0.96 -1.05 -1.22 0.09 0.00 0.00 178.44 177.25 1xby n TYR 54 N -4.02 1.23 0.29 1.13 4.01 -0.30 -4.93 117.16 114.56 1xby n TYR 54 Ca -0.02 -3.85 0.18 0.00 -0.16 0.00 0.00 57.90 54.06 1xby n TYR 54 Cb 0.53 -0.44 0.77 0.00 -0.31 0.00 0.00 39.34 39.89 1xby n TYR 54 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1xby h PRO 55 N 2.99 0.00 -0.00 -0.72 0.13 -1.47 -2.02 132.00 130.91 1xby h PRO 55 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1xby h PRO 55 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 1xby h PRO 55 CO 0.59 0.00 -0.05 -2.39 -0.23 0.00 0.00 178.00 175.92 1xby n HIS 56 N -3.10 0.00 -4.08 1.56 1.44 -1.26 -4.86 115.22 104.91 1xby n HIS 56 Ca 0.00 0.00 -0.29 0.00 -2.01 0.00 0.00 57.72 55.42 1xby n HIS 56 Cb 0.27 -0.28 -0.06 0.00 0.12 0.00 0.00 29.99 30.04 1xby n HIS 56 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 1xby s LYS 57 N -2.60 2.80 0.11 -1.40 -0.14 -0.76 -5.07 119.74 112.66 1xby s LYS 57 Ca 0.26 -0.80 -0.31 0.00 -1.36 0.00 0.00 55.97 53.77 1xby s LYS 57 Cb 0.20 -2.65 -0.07 0.00 -1.68 0.00 0.00 37.83 33.63 1xby s LYS 57 CO 0.48 0.53 1.35 0.42 -0.76 0.00 0.00 175.35 177.37 1xby s ILE 58 N -1.51 3.45 -0.19 2.17 1.01 -1.21 -4.91 121.20 120.00 1xby s ILE 58 Ca 0.29 1.05 -0.03 0.00 0.00 0.00 0.00 60.65 61.96 1xby s ILE 58 Cb -0.11 -3.67 -0.01 0.00 0.01 0.00 0.00 42.46 38.68 1xby s ILE 58 CO 0.22 0.08 -0.07 -0.69 0.00 0.00 0.00 174.94 174.48 1xby s VAL 59 N 1.07 3.24 -0.17 2.92 1.01 -1.26 -0.67 120.40 126.55 1xby s VAL 59 Ca 0.63 -0.55 -0.05 0.00 0.00 0.00 0.00 61.98 62.01 1xby s VAL 59 Cb -0.35 -2.44 -0.03 0.00 0.00 0.00 0.00 36.38 33.55 1xby s VAL 59 CO 0.30 0.46 0.01 -0.22 0.00 0.00 0.00 175.10 175.65 1xby s LEU 60 N 1.15 3.49 -0.42 3.92 1.98 -0.46 -0.86 118.68 127.47 1xby s LEU 60 Ca 0.01 -0.04 -0.14 0.00 -2.89 0.00 0.00 54.13 51.07 1xby s LEU 60 Cb -0.14 -1.86 0.03 0.00 0.66 0.00 0.00 46.19 44.88 1xby s LEU 60 CO -0.02 0.17 0.30 0.00 -1.89 0.00 0.00 176.35 174.91 1xby s ALA 61 N 0.38 3.45 -1.44 5.97 0.00 0.07 -0.40 121.76 129.79 1xby s ALA 61 Ca -0.01 -1.81 -0.09 0.00 0.00 0.00 0.00 51.96 50.05 1xby s ALA 61 Cb -0.13 -2.86 0.05 0.00 0.00 0.00 0.00 23.12 20.17 1xby s ALA 61 CO 0.02 -1.51 2.45 -3.47 0.00 0.00 0.00 175.76 173.25 1xby n ASP 62 N 5.13 6.95 0.18 0.00 2.03 -0.46 -2.57 116.55 127.81 1xby n ASP 62 Ca -0.11 -2.89 0.13 0.00 0.52 0.00 0.00 54.79 52.43 1xby n ASP 62 Cb 0.46 -1.50 0.37 0.00 -0.72 0.00 0.00 41.12 39.73 1xby n ASP 62 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1xby h ALA 63 N 5.21 1.00 -6.76 -1.67 0.00 -1.84 -3.20 119.26 111.99 1xby h ALA 63 Ca 0.68 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 55.03 1xby h ALA 63 Cb 0.42 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 1xby h ALA 63 CO 1.69 0.00 -0.97 1.63 0.00 0.00 0.00 179.25 181.60 1xby n LYS 64 N -2.74 -1.19 -1.80 0.00 5.02 -1.05 -4.78 118.16 111.61 1xby n LYS 64 Ca 0.04 0.21 -0.42 0.00 -2.02 0.00 0.00 58.31 56.12 1xby n LYS 64 Cb 0.42 -3.47 -0.03 0.00 -0.02 0.00 0.00 35.03 31.93 1xby n LYS 64 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1xby s ILE 65 N -3.82 2.33 -0.29 -0.18 1.01 -0.50 -3.90 121.20 115.86 1xby s ILE 65 Ca 0.27 0.19 0.20 0.00 0.00 0.00 0.00 60.65 61.30 1xby s ILE 65 Cb -0.13 -3.12 -0.28 0.00 0.01 0.00 0.00 42.46 38.94 1xby s ILE 65 CO 0.94 0.01 0.54 0.00 0.00 0.00 0.00 174.94 176.44 1xby n ALA 66 N 4.27 3.26 -3.61 9.38 0.00 -1.26 -1.05 120.51 131.50 1xby n ALA 66 Ca 0.15 -0.49 -0.00 0.00 0.00 0.00 0.00 53.44 53.11 1xby n ALA 66 Cb 0.37 -0.68 -0.01 0.00 0.00 0.00 0.00 19.45 19.13 1xby n ALA 66 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1xby s ASP 67 N -3.83 -0.07 -1.16 0.00 2.15 -1.26 -4.47 116.67 108.04 1xby s ASP 67 Ca -0.03 -0.07 -0.01 0.00 0.43 0.00 0.00 52.55 52.87 1xby s ASP 67 Cb 0.13 0.13 -0.01 0.00 -0.30 0.00 0.00 42.92 42.87 1xby s ASP 67 CO 0.81 -0.23 0.97 0.00 -0.17 0.00 0.00 175.17 176.55 1xby n ALA 68 N -0.35 -2.04 -0.28 3.66 0.00 -1.26 -4.84 120.51 115.40 1xby n ALA 68 Ca -0.05 -0.03 -0.02 0.00 0.00 0.00 0.00 53.44 53.33 1xby n ALA 68 Cb 0.61 -2.82 0.10 0.00 0.00 0.00 0.00 19.45 17.34 1xby n ALA 68 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1xby h GLY 69 N -1.76 1.13 0.74 0.00 0.00 -1.89 -1.27 103.07 100.02 1xby h GLY 69 Ca -0.58 -0.37 -0.02 0.00 0.00 0.00 0.00 47.33 46.36 1xby h GLY 69 CO 0.48 0.30 -0.01 1.70 0.00 0.00 0.00 176.54 179.02 1xby h LYS 70 N 0.95 0.17 0.02 4.80 3.64 -1.83 -1.39 116.57 122.94 1xby h LYS 70 Ca 0.32 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.64 1xby h LYS 70 Cb 0.04 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1xby h LYS 70 CO -0.12 0.45 -0.01 0.82 -2.27 0.00 0.00 179.45 178.31 1xby h ILE 71 N -0.12 1.23 -0.46 2.00 2.04 -1.88 -1.12 117.51 119.19 1xby h ILE 71 Ca 0.03 -0.77 -0.12 0.00 1.00 0.00 0.00 64.86 65.00 1xby h ILE 71 Cb 0.37 1.74 -0.02 0.00 -0.74 0.00 0.00 36.82 38.18 1xby h ILE 71 CO 0.01 0.20 -0.17 -0.07 0.00 0.00 0.00 178.15 178.11 1xby h LEU 72 N -0.36 0.91 -0.59 1.44 3.38 -1.32 -1.35 115.31 117.41 1xby h LEU 72 Ca -0.00 -0.32 -0.09 0.00 0.09 0.00 0.00 57.88 57.56 1xby h LEU 72 Cb 0.35 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1xby h LEU 72 CO 0.01 1.07 0.01 0.77 0.09 0.00 0.00 178.44 180.38 1xby h SER 73 N 0.79 1.02 -0.68 -0.43 4.64 -1.25 -2.39 113.55 115.25 1xby h SER 73 Ca 0.12 -0.30 -0.01 0.00 -0.47 0.00 0.00 61.79 61.12 1xby h SER 73 Cb 0.71 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 62.49 1xby h SER 73 CO 0.05 1.07 0.38 -0.09 -0.87 0.00 0.00 176.83 177.37 1xby h ARG 74 N 0.94 0.97 -0.69 4.77 2.43 -0.92 0.20 114.38 122.07 1xby h ARG 74 Ca 0.17 -0.11 -0.02 0.00 -0.81 0.00 0.00 59.98 59.21 1xby h ARG 74 Cb 0.54 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.87 1xby h ARG 74 CO 0.03 0.71 0.36 0.52 -1.51 0.00 0.00 179.97 180.08 1xby h MET 75 N 0.97 0.98 -0.21 0.20 2.86 -0.97 0.61 114.93 119.37 1xby h MET 75 Ca 0.25 -0.13 -0.05 0.00 -2.06 0.00 0.00 59.70 57.71 1xby h MET 75 Cb 0.03 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.50 1xby h MET 75 CO -0.04 0.76 -0.06 0.00 1.06 0.00 0.00 176.91 178.62 1xby h PHE 77 N 0.13 0.03 0.00 0.00 0.04 -0.47 -2.18 116.94 114.50 1xby h PHE 77 Ca 0.05 -0.01 -0.04 0.00 2.80 0.00 0.00 57.97 60.77 1xby h PHE 77 Cb 0.53 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.66 1xby h PHE 77 CO 0.06 0.53 -0.19 0.93 -0.60 0.00 0.00 178.31 179.04 1xby h GLU 78 N 0.02 0.00 -0.17 1.51 5.08 -0.90 -1.07 114.58 119.05 1xby h GLU 78 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1xby h GLU 78 Cb 0.91 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.16 1xby h GLU 78 CO 0.07 0.19 0.00 0.00 -1.00 0.00 0.00 179.01 178.27 1xby n ALA 79 N -2.38 2.48 -1.26 3.43 0.00 -0.96 -4.92 120.51 116.89 1xby n ALA 79 Ca -0.02 -0.33 -0.02 0.00 0.00 0.00 0.00 53.44 53.07 1xby n ALA 79 Cb 0.28 -1.02 -0.01 0.00 0.00 0.00 0.00 19.45 18.70 1xby n ALA 79 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1xby n ASN 80 N 0.01 -2.95 -4.67 0.00 5.03 -0.41 -2.86 115.26 109.42 1xby n ASN 80 Ca 0.08 0.05 -0.39 0.00 0.87 0.00 0.00 54.58 55.18 1xby n ASN 80 Cb 0.17 -1.00 0.03 0.00 -1.02 0.00 0.00 39.78 37.96 1xby n ASN 80 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1xby n ALA 81 N 0.62 0.78 -0.02 5.41 0.00 -0.86 -4.88 120.51 121.55 1xby n ALA 81 Ca -0.02 0.13 -0.21 0.00 0.00 0.00 0.00 53.44 53.33 1xby n ALA 81 Cb 0.17 -2.20 -0.13 0.00 0.00 0.00 0.00 19.45 17.28 1xby n ALA 81 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1xby n ASP 82 N -0.39 2.08 -4.11 0.00 8.00 -0.04 -4.68 116.55 117.40 1xby n ASP 82 Ca 0.11 0.20 -0.16 0.00 0.71 0.00 0.00 54.79 55.65 1xby n ASP 82 Cb 0.43 -0.84 -0.12 0.00 -0.02 0.00 0.00 41.12 40.58 1xby n ASP 82 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1xby s TRP 83 N -2.53 0.95 0.07 1.24 0.51 -0.99 -1.67 118.94 116.52 1xby s TRP 83 Ca -0.25 -0.46 0.04 0.00 -2.12 0.00 0.00 56.10 53.32 1xby s TRP 83 Cb 0.07 -0.55 -0.03 0.00 -0.81 0.00 0.00 33.47 32.15 1xby s TRP 83 CO 0.73 -0.01 -0.12 0.14 -0.51 0.00 0.00 176.95 177.18 1xby s VAL 84 N -1.25 0.97 -0.04 4.03 -7.23 -0.82 -0.75 120.40 115.30 1xby s VAL 84 Ca -0.05 -1.34 -0.02 0.00 -1.81 0.00 0.00 61.98 58.76 1xby s VAL 84 Cb -0.10 -1.05 -0.04 0.00 0.56 0.00 0.00 36.38 35.76 1xby s VAL 84 CO 0.01 -0.33 0.07 0.42 -0.31 0.00 0.00 175.10 174.96 1xby s THR 85 N -1.56 4.72 -0.08 5.32 -4.23 -1.06 -1.16 115.64 117.58 1xby s THR 85 Ca -0.02 -0.28 0.05 0.00 -1.18 0.00 0.00 61.69 60.26 1xby s THR 85 Cb -0.08 -3.10 -0.01 0.00 1.34 0.00 0.00 72.50 70.65 1xby s THR 85 CO 0.01 0.46 -0.23 -0.69 -0.54 0.00 0.00 174.62 173.64 1xby s VAL 86 N -1.09 2.24 0.41 2.29 1.01 -0.06 -1.41 120.40 123.80 1xby s VAL 86 Ca 0.19 -0.98 -0.24 0.00 0.00 0.00 0.00 61.98 60.95 1xby s VAL 86 Cb -0.12 -1.85 -0.08 0.00 0.00 0.00 0.00 36.38 34.33 1xby s VAL 86 CO 0.09 0.56 1.12 -0.51 0.00 0.00 0.00 175.10 176.37 1xby s ILE 87 N 0.03 3.35 0.45 2.22 1.10 -0.22 -0.39 121.20 127.74 1xby s ILE 87 Ca -0.09 1.08 0.12 0.00 -0.51 0.00 0.00 60.65 61.25 1xby s ILE 87 Cb -0.15 -3.58 0.29 0.00 0.15 0.00 0.00 42.46 39.17 1xby s ILE 87 CO 0.05 0.05 2.05 0.00 -2.11 0.00 0.00 174.94 174.98 1xby n ALA 90 N -1.56 1.15 -1.50 0.00 0.00 -0.88 -4.92 120.51 112.82 1xby n ALA 90 Ca 0.05 0.32 -0.42 0.00 0.00 0.00 0.00 53.44 53.39 1xby n ALA 90 Cb 0.27 -2.24 0.01 0.00 0.00 0.00 0.00 19.45 17.50 1xby n ALA 90 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1xby n ASP 91 N 0.60 -0.28 0.13 0.00 2.03 -1.26 -4.85 116.55 112.92 1xby n ASP 91 Ca 0.06 0.96 0.12 0.00 0.52 0.00 0.00 54.79 56.44 1xby n ASP 91 Cb 0.37 -1.17 0.62 0.00 -0.72 0.00 0.00 41.12 40.22 1xby n ASP 91 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 1xby h ILE 92 N 1.02 0.92 0.00 5.18 6.09 -1.96 0.42 117.51 129.18 1xby h ILE 92 Ca -0.41 -0.03 -0.03 0.00 -1.37 0.00 0.00 64.86 63.02 1xby h ILE 92 Cb 1.38 0.83 -0.00 0.00 0.47 0.00 0.00 36.82 39.50 1xby h ILE 92 CO 0.53 0.01 -0.16 0.78 -3.07 0.00 0.00 178.15 176.25 1xby h ASN 93 N 0.08 0.00 0.01 2.19 2.35 -1.98 -0.80 115.58 117.42 1xby h ASN 93 Ca 0.11 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.86 1xby h ASN 93 Cb 0.33 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.70 1xby h ASN 93 CO -0.01 0.16 -0.00 0.74 -1.65 0.00 0.00 177.43 176.67 1xby h THR 94 N 0.00 1.28 -0.47 2.81 2.02 -1.24 -0.42 112.91 116.89 1xby h THR 94 Ca -0.00 -0.85 0.05 0.00 0.77 0.00 0.00 66.41 66.38 1xby h THR 94 Cb 0.50 1.85 -0.05 0.00 -1.74 0.00 0.00 68.15 68.72 1xby h THR 94 CO 0.02 0.22 0.20 0.00 0.37 0.00 0.00 175.52 176.33 1xby h ALA 95 N 0.61 0.58 -0.60 6.16 0.00 -1.50 -1.66 119.26 122.86 1xby h ALA 95 Ca -0.00 0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1xby h ALA 95 Cb 0.37 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1xby h ALA 95 CO 0.00 -0.17 0.39 0.87 0.00 0.00 0.00 179.25 180.34 1xby h LYS 96 N 0.40 0.79 -0.58 0.00 1.57 -1.14 -1.57 116.57 116.03 1xby h LYS 96 Ca 0.21 -0.05 0.02 0.00 -1.87 0.00 0.00 60.65 58.97 1xby h LYS 96 Cb 0.17 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 1xby h LYS 96 CO -0.19 0.53 0.36 0.78 -0.57 0.00 0.00 179.45 180.36 1xby h GLY 97 N 0.81 0.83 1.39 3.86 0.00 -0.85 -0.89 103.07 108.22 1xby h GLY 97 Ca 0.22 -0.28 -0.11 0.00 0.00 0.00 0.00 47.33 47.16 1xby h GLY 97 CO -0.05 0.24 -0.22 0.00 0.00 0.00 0.00 176.54 176.52 1xby h ALA 98 N 1.24 0.94 -0.50 3.60 0.00 -1.10 -2.54 119.26 120.90 1xby h ALA 98 Ca 0.23 -0.36 -0.12 0.00 0.00 0.00 0.00 54.91 54.66 1xby h ALA 98 Cb -0.01 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1xby h ALA 98 CO -0.09 0.61 -0.16 1.25 0.00 0.00 0.00 179.25 180.87 1xby h LEU 99 N 0.62 0.98 -0.78 0.00 5.85 -1.03 0.04 115.31 120.99 1xby h LEU 99 Ca 0.09 -0.34 -0.03 0.00 0.84 0.00 0.00 57.88 58.43 1xby h LEU 99 Cb 0.71 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.44 1xby h LEU 99 CO 0.05 1.12 0.35 -0.78 -0.34 0.00 0.00 178.44 178.85 1xby h ASP 100 N 0.85 1.04 -0.14 1.25 3.58 -0.94 -0.73 116.42 121.33 1xby h ASP 100 Ca 0.12 -0.15 -0.02 0.00 0.42 0.00 0.00 57.03 57.40 1xby h ASP 100 Cb 0.72 -0.27 -0.00 0.00 1.72 0.00 0.00 39.33 41.49 1xby h ASP 100 CO 0.05 0.90 -0.01 0.58 -2.88 0.00 0.00 179.24 177.89 1xby h VAL 101 N 1.11 1.26 -0.82 2.25 2.07 -1.31 -2.93 116.25 117.88 1xby h VAL 101 Ca 0.27 -0.86 0.18 0.00 0.82 0.00 0.00 66.70 67.10 1xby h VAL 101 Cb 0.15 1.55 -0.11 0.00 -1.52 0.00 0.00 31.29 31.37 1xby h VAL 101 CO -0.03 0.25 0.32 0.00 0.02 0.00 0.00 177.57 178.14 1xby h ALA 102 N 0.75 1.21 -0.58 1.67 0.00 -0.59 -0.75 119.26 120.96 1xby h ALA 102 Ca 0.04 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1xby h ALA 102 Cb 0.39 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1xby h ALA 102 CO 0.01 -0.27 0.34 0.87 0.00 0.00 0.00 179.25 180.19 1xby h LYS 103 N 0.41 0.79 0.00 0.00 1.57 -0.96 0.31 116.57 118.68 1xby h LYS 103 Ca 0.48 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 59.18 1xby h LYS 103 Cb 0.82 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.96 1xby h LYS 103 CO -0.47 0.56 -0.04 0.93 -0.57 0.00 0.00 179.45 179.86 1xby h GLU 104 N 0.80 0.00 -0.37 3.15 5.08 -1.03 -2.60 114.58 119.61 1xby h GLU 104 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1xby h GLU 104 Cb -0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1xby h GLU 104 CO -0.04 0.04 0.00 1.19 -1.00 0.00 0.00 179.01 179.21 1xby n PHE 105 N -4.18 0.48 -3.84 4.33 3.01 -0.40 -4.96 117.46 111.89 1xby n PHE 105 Ca -0.03 -0.32 -0.30 0.00 1.01 0.00 0.00 57.45 57.82 1xby n PHE 105 Cb 0.13 -0.01 0.01 0.00 -0.01 0.00 0.00 39.48 39.60 1xby n PHE 105 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1xby n ASN 106 N 1.10 -4.55 -0.42 4.37 3.02 -0.64 -5.00 115.26 113.15 1xby n ASN 106 Ca 0.16 -0.73 0.00 0.00 -0.03 0.00 0.00 54.58 53.98 1xby n ASN 106 Cb 0.50 -3.66 0.00 0.00 -0.61 0.00 0.00 39.78 36.02 1xby n ASN 106 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xby n GLY 107 N -1.57 3.50 3.32 7.41 0.00 -0.04 -5.01 105.19 112.80 1xby n GLY 107 Ca 0.04 -2.06 -0.10 0.00 0.00 0.00 0.00 46.02 43.89 1xby n GLY 107 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xby s ASP 108 N -0.51 -0.18 -0.05 1.61 2.15 -0.67 -4.44 116.67 114.58 1xby s ASP 108 Ca 0.00 -0.39 0.06 0.00 0.43 0.00 0.00 52.55 52.65 1xby s ASP 108 Cb 0.00 0.46 -0.02 0.00 -0.30 0.00 0.00 42.92 43.07 1xby s ASP 108 CO 0.00 -0.85 -0.24 -0.69 -0.17 0.00 0.00 175.17 173.22 1xby s VAL 109 N -3.82 2.17 0.01 1.11 1.01 -1.26 -1.95 120.40 117.67 1xby s VAL 109 Ca 0.04 -1.04 0.05 0.00 0.00 0.00 0.00 61.98 61.04 1xby s VAL 109 Cb 0.02 -1.78 -0.03 0.00 0.00 0.00 0.00 36.38 34.59 1xby s VAL 109 CO -0.11 0.57 -0.15 -1.10 0.00 0.00 0.00 175.10 174.32 1xby s GLN 110 N -0.35 2.28 -0.28 2.72 -0.21 -0.31 -4.29 119.66 119.23 1xby s GLN 110 Ca 0.02 -0.86 -0.17 0.00 0.02 0.00 0.00 55.36 54.37 1xby s GLN 110 Cb -0.12 -2.30 -0.03 0.00 1.00 0.00 0.00 33.01 31.56 1xby s GLN 110 CO 0.02 0.57 0.47 0.42 -2.12 0.00 0.00 175.29 174.65 1xby s ILE 111 N -0.89 5.09 -0.13 1.08 -1.09 -0.83 -0.88 121.20 123.55 1xby s ILE 111 Ca 0.14 0.71 -0.25 0.00 -2.23 0.00 0.00 60.65 59.02 1xby s ILE 111 Cb -0.11 -3.81 -0.02 0.00 -1.58 0.00 0.00 42.46 36.95 1xby s ILE 111 CO 0.05 0.07 0.82 -0.62 -1.23 0.00 0.00 174.94 174.02 1xby s ASP 112 N 1.60 7.01 -0.55 3.58 2.15 0.47 -0.68 116.67 130.25 1xby s ASP 112 Ca 0.19 1.23 0.01 0.00 0.43 0.00 0.00 52.55 54.41 1xby s ASP 112 Cb -0.16 -2.46 0.57 0.00 -0.30 0.00 0.00 42.92 40.57 1xby s ASP 112 CO 0.10 -0.33 1.97 0.18 -0.17 0.00 0.00 175.17 176.92 1xby n LEU 113 N 4.79 7.18 -4.72 -1.34 4.77 0.18 -1.23 117.00 126.63 1xby n LEU 113 Ca 0.03 -3.92 -0.42 0.00 -0.03 0.00 0.00 56.01 51.67 1xby n LEU 113 Cb 0.50 -0.90 -0.03 0.00 -2.33 0.00 0.00 43.42 40.65 1xby n LEU 113 CO 0.48 1.25 0.78 -0.89 -1.33 0.00 0.00 177.39 177.68 1xby s THR 114 N -4.00 4.29 0.00 -5.08 2.01 -1.26 -4.40 115.64 107.20 1xby s THR 114 Ca 0.61 1.74 0.00 0.00 0.31 0.00 0.00 61.69 64.34 1xby s THR 114 Cb 0.49 -4.11 0.00 0.00 0.01 0.00 0.00 72.50 68.89 1xby s THR 114 CO 0.05 0.19 0.00 0.61 -0.69 0.00 0.00 174.62 174.78 1xby n GLY 115 N 2.76 -0.12 3.68 4.40 0.00 -1.26 -4.76 105.19 109.88 1xby n GLY 115 Ca 0.06 -1.28 -0.39 0.00 0.00 0.00 0.00 46.02 44.41 1xby n GLY 115 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1xby s TYR 116 N 0.00 3.41 0.24 1.61 5.04 -1.26 -5.03 117.35 121.36 1xby s TYR 116 Ca 0.00 0.80 -0.14 0.00 -2.44 0.00 0.00 57.07 55.28 1xby s TYR 116 Cb 0.00 -2.63 0.00 0.00 0.35 0.00 0.00 41.96 39.68 1xby s TYR 116 CO 0.00 -0.02 0.51 1.67 -1.34 0.00 0.00 175.55 176.37 1xby s TRP 117 N 1.34 0.24 0.21 4.97 1.48 -1.26 -4.51 118.94 121.41 1xby s TRP 117 Ca 0.24 -0.61 0.08 0.00 -1.06 0.00 0.00 56.10 54.75 1xby s TRP 117 Cb -0.15 0.28 -0.05 0.00 -1.16 0.00 0.00 33.47 32.39 1xby s TRP 117 CO 0.10 -1.01 -0.15 0.95 -4.06 0.00 0.00 176.95 172.78 1xby s THR 118 N -3.99 1.77 0.41 0.66 -4.23 -1.26 -5.03 115.64 103.96 1xby s THR 118 Ca 0.19 -2.22 0.16 0.00 -1.18 0.00 0.00 61.69 58.65 1xby s THR 118 Cb -0.01 -2.05 0.17 0.00 1.34 0.00 0.00 72.50 71.94 1xby s THR 118 CO 0.07 -0.59 1.94 -0.50 -0.54 0.00 0.00 174.62 175.00 1xby h TRP 119 N 2.56 0.00 -0.64 3.99 4.06 -2.03 -1.56 115.95 122.33 1xby h TRP 119 Ca -0.38 0.00 -0.08 0.00 2.06 0.00 0.00 58.89 60.49 1xby h TRP 119 Cb 1.22 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.36 1xby h TRP 119 CO 0.72 0.25 0.08 0.93 -3.56 0.00 0.00 178.44 176.86 1xby h GLU 120 N 0.00 1.07 -0.76 0.49 3.07 -2.00 -1.65 114.58 114.80 1xby h GLU 120 Ca -0.00 -0.30 -0.04 0.00 -0.50 0.00 0.00 59.36 58.52 1xby h GLU 120 Cb 0.46 -0.12 -0.03 0.00 -0.84 0.00 0.00 28.75 28.22 1xby h GLU 120 CO 0.03 1.00 0.34 1.96 -1.40 0.00 0.00 179.01 180.93 1xby h GLN 121 N 0.98 1.11 -0.77 2.33 4.20 -1.77 -1.76 115.11 119.42 1xby h GLN 121 Ca 0.19 -0.17 -0.02 0.00 0.06 0.00 0.00 58.65 58.71 1xby h GLN 121 Cb 0.46 -0.19 -0.04 0.00 0.30 0.00 0.00 27.48 28.01 1xby h GLN 121 CO 0.02 0.88 0.42 0.00 -0.67 0.00 0.00 178.83 179.47 1xby h ALA 122 N 1.27 0.99 -0.54 3.87 0.00 -0.91 -0.25 119.26 123.70 1xby h ALA 122 Ca 0.26 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 1xby h ALA 122 Cb 0.16 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1xby h ALA 122 CO -0.03 0.51 0.03 0.37 0.00 0.00 0.00 179.25 180.13 1xby h GLN 123 N 1.07 0.89 -0.77 0.00 5.75 -0.97 -2.41 115.11 118.67 1xby h GLN 123 Ca 0.27 -0.24 0.01 0.00 -0.15 0.00 0.00 58.65 58.54 1xby h GLN 123 Cb 0.04 -0.10 -0.04 0.00 1.07 0.00 0.00 27.48 28.45 1xby h GLN 123 CO -0.04 0.86 0.51 1.96 -2.65 0.00 0.00 178.83 179.47 1xby h GLN 124 N 0.83 1.00 -0.54 1.69 4.20 -0.36 -1.06 115.11 120.87 1xby h GLN 124 Ca 0.16 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.81 1xby h GLN 124 Cb 0.45 -0.23 -0.03 0.00 0.30 0.00 0.00 27.48 27.97 1xby h GLN 124 CO 0.02 0.66 0.34 -1.49 -0.67 0.00 0.00 178.83 177.70 1xby h TRP 125 N 1.04 0.70 -0.21 2.96 6.55 -0.78 -0.99 115.95 125.21 1xby h TRP 125 Ca 0.28 0.01 0.00 0.00 0.95 0.00 0.00 58.89 60.13 1xby h TRP 125 Cb -0.11 -0.23 -0.01 0.00 -0.86 0.00 0.00 29.16 27.94 1xby h TRP 125 CO -0.02 0.47 0.13 -0.09 -1.05 0.00 0.00 178.44 177.88 1xby h ARG 126 N 0.73 0.27 0.00 0.49 9.65 -1.11 -1.26 114.38 123.15 1xby h ARG 126 Ca 0.20 -0.02 -0.02 0.00 -1.10 0.00 0.00 59.98 59.04 1xby h ARG 126 Cb -0.05 -0.06 -0.00 0.00 -1.39 0.00 0.00 29.97 28.47 1xby h ARG 126 CO -0.04 0.18 -0.11 -0.44 2.80 0.00 0.00 179.97 182.36 1xby h ASP 127 N 0.28 0.00 0.77 -3.80 3.32 -0.90 -1.60 116.42 114.49 1xby h ASP 127 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1xby h ASP 127 Cb -0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.53 1xby h ASP 127 CO -0.03 0.11 -0.02 0.00 -1.72 0.00 0.00 179.24 177.58 1xby n ALA 128 N -2.38 2.46 0.00 3.45 0.00 -0.40 -4.92 120.51 118.72 1xby n ALA 128 Ca -0.02 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1xby n ALA 128 Cb 0.20 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.19 1xby n ALA 128 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xby n GLY 129 N 1.40 0.96 3.71 0.00 0.00 -0.60 -4.94 105.19 105.72 1xby n GLY 129 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1xby n GLY 129 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xby s ILE 130 N -2.00 3.61 -0.91 -0.61 -1.09 -0.53 -4.94 121.20 114.73 1xby s ILE 130 Ca 0.00 1.12 0.08 0.00 -2.23 0.00 0.00 60.65 59.61 1xby s ILE 130 Cb 0.00 -3.72 0.09 0.00 -1.58 0.00 0.00 42.46 37.25 1xby s ILE 130 CO 0.00 0.06 0.83 0.61 -1.23 0.00 0.00 174.94 175.21 1xby n GLY 131 N 3.48 -0.02 2.85 6.18 0.00 -1.26 -4.38 105.19 112.03 1xby n GLY 131 Ca 0.11 -0.23 -0.13 0.00 0.00 0.00 0.00 46.02 45.77 1xby n GLY 131 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xby s GLN 132 N -0.71 0.04 0.08 1.61 -0.21 -1.26 -0.88 119.66 118.32 1xby s GLN 132 Ca 0.10 0.04 0.02 0.00 0.02 0.00 0.00 55.36 55.54 1xby s GLN 132 Cb 0.07 -0.13 -0.03 0.00 1.00 0.00 0.00 33.01 33.92 1xby s GLN 132 CO 0.10 -0.04 -0.08 0.14 -2.12 0.00 0.00 175.29 173.29 1xby s VAL 133 N 0.32 0.70 -0.39 1.09 -7.23 -0.88 -1.97 120.40 112.04 1xby s VAL 133 Ca -0.03 -1.56 -0.06 0.00 -1.81 0.00 0.00 61.98 58.53 1xby s VAL 133 Cb -0.04 -1.22 0.08 0.00 0.56 0.00 0.00 36.38 35.76 1xby s VAL 133 CO -0.01 -0.62 0.19 -0.69 -0.31 0.00 0.00 175.10 173.66 1xby s VAL 134 N -2.53 3.70 -0.22 1.32 1.01 0.14 -1.06 120.40 122.76 1xby s VAL 134 Ca 0.02 -1.58 -0.29 0.00 0.00 0.00 0.00 61.98 60.13 1xby s VAL 134 Cb -0.02 -3.31 -0.01 0.00 0.00 0.00 0.00 36.38 33.03 1xby s VAL 134 CO -0.02 -0.47 1.38 -0.47 0.00 0.00 0.00 175.10 175.52 1xby s TYR 135 N 1.31 2.57 -0.18 5.22 6.14 0.80 -0.65 117.35 132.56 1xby s TYR 135 Ca 0.03 0.80 -0.05 0.00 0.64 0.00 0.00 57.07 58.49 1xby s TYR 135 Cb -0.22 -3.78 0.06 0.00 0.42 0.00 0.00 41.96 38.44 1xby s TYR 135 CO -0.00 -2.12 0.09 -1.58 0.64 0.00 0.00 175.55 172.57 1xby s HIS 136 N 4.20 0.30 -0.04 4.97 2.46 -1.26 -1.66 115.29 124.26 1xby s HIS 136 Ca 0.60 -0.41 -0.30 0.00 0.47 0.00 0.00 55.06 55.42 1xby s HIS 136 Cb -0.21 -0.74 -0.04 0.00 -0.13 0.00 0.00 32.58 31.45 1xby s HIS 136 CO 0.22 -0.54 1.27 0.50 -2.47 0.00 0.00 174.74 173.72 1xby s ARG 137 N 2.10 4.32 0.21 2.88 3.52 -0.57 -4.22 118.95 127.19 1xby s ARG 137 Ca 0.02 1.78 -0.31 0.00 -0.13 0.00 0.00 55.73 57.09 1xby s ARG 137 Cb -0.16 -3.57 -0.11 0.00 -1.56 0.00 0.00 34.95 29.55 1xby s ARG 137 CO -0.10 -0.50 1.58 0.45 -0.81 0.00 0.00 175.30 175.92 1xby s SER 138 N 1.64 6.52 0.38 -2.12 0.15 -1.26 -4.39 113.70 114.61 1xby s SER 138 Ca 0.59 2.74 0.09 0.00 0.70 0.00 0.00 55.95 60.06 1xby s SER 138 Cb -0.27 -2.61 0.83 0.00 -1.71 0.00 0.00 66.02 62.26 1xby s SER 138 CO 0.23 -0.85 1.94 -0.09 1.20 0.00 0.00 173.24 175.68 1xby h ARG 139 N 6.13 0.64 -0.08 5.44 2.43 -1.94 0.62 114.38 127.62 1xby h ARG 139 Ca -0.44 -0.04 -0.19 0.00 -0.81 0.00 0.00 59.98 58.50 1xby h ARG 139 Cb 1.21 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 30.61 1xby h ARG 139 CO 0.88 0.42 -0.74 -0.44 -1.51 0.00 0.00 179.97 178.58 1xby h ASP 140 N 0.66 0.49 -0.27 -3.80 3.32 -1.99 -0.92 116.42 113.92 1xby h ASP 140 Ca 0.33 -0.33 -0.05 0.00 0.02 0.00 0.00 57.03 57.01 1xby h ASP 140 Cb 0.43 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 1xby h ASP 140 CO -0.12 1.07 -0.02 0.00 -1.72 0.00 0.00 179.24 178.46 1xby h ALA 141 N 0.92 0.37 -0.54 3.45 0.00 -1.78 -2.14 119.26 119.53 1xby h ALA 141 Ca -0.03 -0.24 0.11 0.00 0.00 0.00 0.00 54.91 54.75 1xby h ALA 141 Cb 1.32 -0.10 -0.09 0.00 0.00 0.00 0.00 17.79 18.92 1xby h ALA 141 CO 0.13 0.12 0.00 0.37 0.00 0.00 0.00 179.25 179.87 1xby h GLN 142 N 0.26 0.12 0.00 0.00 4.15 -0.80 -0.63 115.11 118.20 1xby h GLN 142 Ca 0.07 -0.01 -0.05 0.00 0.77 0.00 0.00 58.65 59.44 1xby h GLN 142 Cb 0.45 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.11 1xby h GLN 142 CO 0.02 0.08 -0.23 0.00 -1.93 0.00 0.00 178.83 176.77 1xby h ALA 143 N 1.49 1.45 -0.11 3.38 0.00 -1.01 -0.89 119.26 123.57 1xby h ALA 143 Ca 0.28 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1xby h ALA 143 Cb 0.43 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1xby h ALA 143 CO -0.46 0.28 0.00 0.00 0.00 0.00 0.00 179.25 179.08 1xby n ALA 144 N -2.42 2.49 -0.06 0.00 0.00 -0.33 -4.91 120.51 115.28 1xby n ALA 144 Ca -0.02 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1xby n ALA 144 Cb 0.30 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.74 1xby n ALA 144 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xby n GLY 145 N 0.70 0.79 3.68 0.00 0.00 -0.34 -5.05 105.19 104.97 1xby n GLY 145 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 1xby n GLY 145 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xby s VAL 146 N -2.05 4.49 0.25 1.61 1.01 -0.67 -4.98 120.40 120.06 1xby s VAL 146 Ca 0.00 1.79 0.06 0.00 0.00 0.00 0.00 61.98 63.84 1xby s VAL 146 Cb 0.00 -4.15 -0.03 0.00 0.00 0.00 0.00 36.38 32.19 1xby s VAL 146 CO 0.00 -0.04 0.24 0.00 0.00 0.00 0.00 175.10 175.31 1xby s ALA 147 N 2.41 3.68 0.26 5.51 0.00 -1.26 -4.23 121.76 128.14 1xby s ALA 147 Ca 0.52 -1.37 -0.30 0.00 0.00 0.00 0.00 51.96 50.81 1xby s ALA 147 Cb -0.21 -1.42 -0.10 0.00 0.00 0.00 0.00 23.12 21.39 1xby s ALA 147 CO 0.18 0.25 1.44 -1.58 0.00 0.00 0.00 175.76 176.04 1xby s TRP 148 N -2.09 2.99 0.25 0.00 0.52 -1.26 -5.02 118.94 114.33 1xby s TRP 148 Ca 0.33 1.05 0.02 0.00 0.02 0.00 0.00 56.10 57.52 1xby s TRP 148 Cb -0.08 -3.83 -0.01 0.00 -1.15 0.00 0.00 33.47 28.40 1xby s TRP 148 CO 0.26 -2.66 0.30 0.41 0.02 0.00 0.00 176.95 175.28 1xby n GLY 149 N 2.01 2.74 0.23 0.98 0.00 -1.26 -5.06 105.19 104.83 1xby n GLY 149 Ca 0.06 -1.68 0.05 0.00 0.00 0.00 0.00 46.02 44.45 1xby n GLY 149 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1xby h GLU 150 N 0.00 0.06 -0.11 1.61 4.39 -2.00 -1.68 114.58 116.85 1xby h GLU 150 Ca -0.19 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.47 1xby h GLU 150 Cb 0.88 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.52 1xby h GLU 150 CO 0.26 0.23 -0.04 0.00 -1.16 0.00 0.00 179.01 178.30 1xby h ALA 151 N 1.78 1.73 -0.16 3.43 0.00 -1.99 0.48 119.26 124.53 1xby h ALA 151 Ca 0.01 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 1xby h ALA 151 Cb 0.32 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1xby h ALA 151 CO 0.02 0.20 -0.19 -0.44 0.00 0.00 0.00 179.25 178.85 1xby h ASP 152 N 0.16 0.45 -0.62 0.00 3.32 -1.73 -1.74 116.42 116.26 1xby h ASP 152 Ca 0.04 -0.49 0.02 0.00 0.02 0.00 0.00 57.03 56.61 1xby h ASP 152 Cb 0.18 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.57 1xby h ASP 152 CO 0.01 0.85 0.39 0.40 -1.72 0.00 0.00 179.24 179.17 1xby h ILE 153 N 0.06 1.12 -0.49 0.35 1.08 -1.18 0.58 117.51 119.02 1xby h ILE 153 Ca 0.02 -0.27 -0.00 0.00 -0.39 0.00 0.00 64.86 64.22 1xby h ILE 153 Cb 0.73 0.26 -0.02 0.00 -3.07 0.00 0.00 36.82 34.72 1xby h ILE 153 CO 0.05 0.14 0.29 0.74 -0.69 0.00 0.00 178.15 178.68 1xby h THR 154 N 0.79 1.16 -0.57 -0.27 2.02 -0.92 -1.27 112.91 113.85 1xby h THR 154 Ca 0.24 -0.37 -0.09 0.00 0.77 0.00 0.00 66.41 66.95 1xby h THR 154 Cb -0.04 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 66.85 1xby h THR 154 CO -0.07 0.16 -0.01 0.00 0.37 0.00 0.00 175.52 175.97 1xby h ALA 155 N 1.13 0.90 -0.31 6.16 0.00 -0.91 -0.73 119.26 125.50 1xby h ALA 155 Ca 0.18 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1xby h ALA 155 Cb 0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1xby h ALA 155 CO -0.03 0.65 0.14 0.82 0.00 0.00 0.00 179.25 180.83 1xby h ILE 156 N 0.91 1.16 -0.98 0.00 2.04 -0.67 -0.47 117.51 119.49 1xby h ILE 156 Ca 0.16 -0.48 0.00 0.00 1.00 0.00 0.00 64.86 65.55 1xby h ILE 156 Cb 0.55 0.90 -0.05 0.00 -0.74 0.00 0.00 36.82 37.48 1xby h ILE 156 CO 0.03 0.17 0.63 0.11 0.00 0.00 0.00 178.15 179.09 1xby h LYS 157 N 0.37 1.31 -0.35 2.37 1.57 -1.00 -0.25 116.57 120.58 1xby h LYS 157 Ca 0.11 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1xby h LYS 157 Cb 0.14 -0.29 -0.02 0.00 0.08 0.00 0.00 32.23 32.14 1xby h LYS 157 CO -0.01 0.88 0.18 -0.09 -0.57 0.00 0.00 179.45 179.84 1xby h ARG 158 N 1.34 0.50 -0.49 3.15 2.43 -0.81 0.24 114.38 120.75 1xby h ARG 158 Ca 0.36 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.46 1xby h ARG 158 Cb -0.12 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.31 1xby h ARG 158 CO -0.07 0.44 0.29 -0.07 -1.51 0.00 0.00 179.97 179.05 1xby h LEU 159 N 0.44 0.59 -0.50 3.80 3.38 -0.71 -2.11 115.31 120.20 1xby h LEU 159 Ca 0.12 -0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.06 1xby h LEU 159 Cb 0.10 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 1xby h LEU 159 CO -0.02 0.48 0.28 -1.28 0.09 0.00 0.00 178.44 178.00 1xby h SER 160 N 0.65 0.43 0.26 -0.43 0.87 -0.78 -2.28 113.55 112.28 1xby h SER 160 Ca 0.18 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.74 1xby h SER 160 Cb 0.00 -0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 61.89 1xby h SER 160 CO -0.03 0.30 -0.06 0.44 -0.53 0.00 0.00 176.83 176.95 1xby h ASP 161 N 0.55 0.00 0.69 6.23 3.32 -0.12 -0.44 116.42 126.65 1xby h ASP 161 Ca 0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.26 1xby h ASP 161 Cb 0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.62 1xby h ASP 161 CO -0.12 0.06 0.00 0.23 -1.72 0.00 0.00 179.24 177.69 1xby n MET 162 N -3.55 0.15 0.00 3.56 2.81 -0.83 -4.90 117.12 114.35 1xby n MET 162 Ca -0.02 0.07 0.00 0.00 -1.81 0.00 0.00 57.70 55.94 1xby n MET 162 Cb 0.18 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.19 1xby n MET 162 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1xby n GLY 163 N 0.95 0.74 3.79 3.03 0.00 -0.17 -5.04 105.19 108.48 1xby n GLY 163 Ca 0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 1xby n GLY 163 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xby s PHE 164 N -2.00 3.54 -0.10 1.61 0.40 -1.10 -4.92 117.98 115.42 1xby s PHE 164 Ca 0.00 1.73 -0.28 0.00 -0.60 0.00 0.00 56.93 57.78 1xby s PHE 164 Cb 0.00 -2.95 -0.02 0.00 0.51 0.00 0.00 43.02 40.56 1xby s PHE 164 CO 0.00 -0.01 0.91 0.15 0.70 0.00 0.00 175.22 176.97 1xby s LYS 165 N -2.34 4.42 -0.17 0.44 1.02 -0.06 -4.24 119.74 118.80 1xby s LYS 165 Ca 0.54 1.23 -0.05 0.00 0.02 0.00 0.00 55.97 57.70 1xby s LYS 165 Cb -0.18 -3.52 -0.03 0.00 -0.52 0.00 0.00 37.83 33.58 1xby s LYS 165 CO 0.23 -0.21 0.01 0.08 -0.92 0.00 0.00 175.35 174.53 1xby s VAL 166 N 1.68 4.26 -0.06 3.17 1.01 -1.26 -2.08 120.40 127.12 1xby s VAL 166 Ca 0.45 -0.22 -0.04 0.00 0.00 0.00 0.00 61.98 62.17 1xby s VAL 166 Cb -0.18 -2.90 -0.04 0.00 0.00 0.00 0.00 36.38 33.26 1xby s VAL 166 CO 0.19 0.47 0.12 -0.89 0.00 0.00 0.00 175.10 174.98 1xby s THR 167 N 0.49 5.16 -0.07 3.92 2.01 -0.22 -0.53 115.64 126.40 1xby s THR 167 Ca -0.00 -0.09 0.03 0.00 0.31 0.00 0.00 61.69 61.93 1xby s THR 167 Cb -0.14 -3.31 -0.02 0.00 0.01 0.00 0.00 72.50 69.04 1xby s THR 167 CO 0.02 0.47 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.58 1xby s VAL 168 N -1.13 2.92 0.03 3.82 1.01 -0.19 -0.14 120.40 126.71 1xby s VAL 168 Ca 0.20 -0.76 -0.22 0.00 0.00 0.00 0.00 61.98 61.20 1xby s VAL 168 Cb -0.12 -2.16 0.05 0.00 0.00 0.00 0.00 36.38 34.15 1xby s VAL 168 CO 0.10 0.57 0.51 0.00 0.00 0.00 0.00 175.10 176.29 1xby s ALA 169 N -0.35 -1.31 0.00 5.51 0.00 -0.67 -1.38 121.76 123.56 1xby s ALA 169 Ca 0.03 0.64 0.00 0.00 0.00 0.00 0.00 51.96 52.64 1xby s ALA 169 Cb -0.12 0.31 0.00 0.00 0.00 0.00 0.00 23.12 23.30 1xby s ALA 169 CO 0.02 -0.46 0.00 0.41 0.00 0.00 0.00 175.76 175.73 1xby n GLY 170 N 0.55 1.21 2.42 0.00 0.00 -1.26 -1.52 105.19 106.59 1xby n GLY 170 Ca -0.19 -0.23 -0.21 0.00 0.00 0.00 0.00 46.02 45.39 1xby n GLY 170 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xby n GLY 171 N 0.00 -0.50 3.73 -0.02 0.00 -1.26 -4.74 105.19 102.40 1xby n GLY 171 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1xby n GLY 171 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xby s LEU 172 N -6.05 4.38 0.29 0.99 1.43 -1.26 -4.99 118.68 113.47 1xby s LEU 172 Ca 0.01 2.53 0.09 0.00 -1.03 0.00 0.00 54.13 55.74 1xby s LEU 172 Cb -0.01 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.57 1xby s LEU 172 CO 0.02 -0.69 0.03 0.00 0.23 0.00 0.00 176.35 175.93 1xby s ALA 173 N 0.56 3.24 0.30 4.21 0.00 -1.26 -4.50 121.76 124.31 1xby s ALA 173 Ca 0.63 -1.72 0.05 0.00 0.00 0.00 0.00 51.96 50.92 1xby s ALA 173 Cb -0.40 -0.73 0.72 0.00 0.00 0.00 0.00 23.12 22.70 1xby s ALA 173 CO 0.36 0.20 1.77 1.25 0.00 0.00 0.00 175.76 179.34 1xby h LEU 174 N 1.80 0.73 -1.51 0.00 5.85 -1.95 -1.20 115.31 119.03 1xby h LEU 174 Ca -0.44 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.38 1xby h LEU 174 Cb 1.25 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.25 1xby h LEU 174 CO 0.62 0.25 0.00 -0.33 -0.34 0.00 0.00 178.44 178.64 1xby h GLU 175 N 0.72 0.00 0.00 1.25 3.07 -2.01 -2.51 114.58 115.10 1xby h GLU 175 Ca 0.57 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.43 1xby h GLU 175 Cb 0.88 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.79 1xby h GLU 175 CO -0.39 0.00 0.00 -0.44 -1.40 0.00 0.00 179.01 176.78 1xby h ASP 176 N 0.00 0.00 -0.87 1.42 3.32 -1.62 -3.38 116.42 115.30 1xby h ASP 176 Ca 0.00 0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.08 1xby h ASP 176 Cb 0.44 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.94 1xby h ASP 176 CO 0.00 0.00 0.56 -0.07 -1.72 0.00 0.00 179.24 178.01 1xby h LEU 177 N 0.00 0.93 -2.80 1.55 3.38 -1.55 -2.19 115.31 114.63 1xby h LEU 177 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1xby h LEU 177 Cb 0.75 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1xby h LEU 177 CO 0.00 0.64 0.00 -0.65 0.09 0.00 0.00 178.44 178.52 1xby h PRO 178 N 1.09 0.00 -0.36 1.13 0.11 -1.82 -2.48 132.00 129.67 1xby h PRO 178 Ca 0.35 0.00 0.07 0.00 0.11 0.00 0.00 66.00 66.52 1xby h PRO 178 Cb 0.01 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.10 1xby h PRO 178 CO -0.12 0.00 0.25 -0.07 -0.21 0.00 0.00 178.00 177.85 1xby h LEU 179 N 0.00 0.17 -2.14 2.35 3.38 -1.68 -2.53 115.31 114.85 1xby h LEU 179 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xby h LEU 179 Cb 0.03 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1xby h LEU 179 CO 0.00 0.11 0.00 0.49 0.09 0.00 0.00 178.44 179.13 1xby n PHE 180 N -4.47 0.37 -1.63 1.13 3.01 -0.93 -4.99 117.46 109.95 1xby n PHE 180 Ca 0.05 -0.19 -0.44 0.00 1.01 0.00 0.00 57.45 57.88 1xby n PHE 180 Cb 0.30 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.75 1xby n PHE 180 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 1xby n LYS 181 N 1.37 1.63 -0.50 -1.08 4.81 -0.96 -2.33 118.16 121.10 1xby n LYS 181 Ca 0.18 0.57 0.00 0.00 -0.87 0.00 0.00 58.31 58.20 1xby n LYS 181 Cb 0.58 -2.03 0.00 0.00 0.02 0.00 0.00 35.03 33.60 1xby n LYS 181 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1xby n GLY 182 N 1.14 1.28 3.66 3.14 0.00 -1.26 -5.03 105.19 108.11 1xby n GLY 182 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 1xby n GLY 182 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xby s ILE 183 N -3.23 4.39 -1.47 -0.61 1.01 -0.98 -5.01 121.20 115.29 1xby s ILE 183 Ca 0.00 -0.20 -0.10 0.00 0.00 0.00 0.00 60.65 60.34 1xby s ILE 183 Cb 0.00 -2.88 -0.07 0.00 0.01 0.00 0.00 42.46 39.52 1xby s ILE 183 CO 0.00 0.57 2.70 -0.81 0.00 0.00 0.00 174.94 177.39 1xby n PRO 184 N 2.58 3.27 -1.70 2.79 -0.04 -1.26 -4.94 135.00 135.70 1xby n PRO 184 Ca -0.18 -2.15 -0.44 0.00 -0.04 0.00 0.00 63.50 60.70 1xby n PRO 184 Cb 0.53 -2.83 -0.03 0.00 -0.04 0.00 0.00 33.50 31.13 1xby n PRO 184 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1xby n ILE 185 N 3.98 0.12 0.03 0.52 2.08 -1.26 -4.69 119.36 120.14 1xby n ILE 185 Ca 0.69 -0.03 -0.19 0.00 0.56 0.00 0.00 62.75 63.78 1xby n ILE 185 Cb 0.25 -1.79 -0.12 0.00 -0.75 0.00 0.00 39.64 37.23 1xby n ILE 185 CO 0.00 0.00 0.00 -0.74 0.56 0.00 0.00 176.55 176.37 1xby h HIS 186 N 6.19 0.76 -2.64 1.39 -0.00 -1.16 -3.32 115.15 116.37 1xby h HIS 186 Ca -0.44 -0.44 -0.11 0.00 -0.00 0.00 0.00 60.37 59.38 1xby h HIS 186 Cb 1.23 -0.08 -0.24 0.00 -0.00 0.00 0.00 27.41 28.32 1xby h HIS 186 CO 0.63 1.28 -0.21 0.08 -0.00 0.00 0.00 177.93 179.71 1xby s VAL 187 N -3.09 -0.01 -0.17 5.26 1.01 -1.22 -1.16 120.40 121.03 1xby s VAL 187 Ca -0.12 0.02 -0.06 0.00 0.00 0.00 0.00 61.98 61.82 1xby s VAL 187 Cb 0.04 -0.63 -0.04 0.00 0.00 0.00 0.00 36.38 35.75 1xby s VAL 187 CO 0.86 0.01 0.04 -0.36 0.00 0.00 0.00 175.10 175.65 1xby s PHE 188 N 0.51 3.21 -0.12 5.22 0.40 -0.10 -1.02 117.98 126.08 1xby s PHE 188 Ca -0.02 0.03 -0.12 0.00 -0.60 0.00 0.00 56.93 56.21 1xby s PHE 188 Cb -0.04 -2.03 -0.05 0.00 0.51 0.00 0.00 43.02 41.41 1xby s PHE 188 CO -0.03 0.16 0.27 0.42 0.70 0.00 0.00 175.22 176.75 1xby s ILE 189 N 0.24 5.30 -0.06 0.64 1.01 -0.48 -0.74 121.20 127.10 1xby s ILE 189 Ca 0.03 0.51 0.02 0.00 0.00 0.00 0.00 60.65 61.21 1xby s ILE 189 Cb -0.13 -3.59 0.02 0.00 0.01 0.00 0.00 42.46 38.77 1xby s ILE 189 CO 0.01 0.48 -0.10 0.00 0.00 0.00 0.00 174.94 175.33 1xby s ALA 190 N -0.14 1.09 0.00 9.38 0.00 -0.05 -4.56 121.76 127.47 1xby s ALA 190 Ca 0.17 -0.31 0.00 0.00 0.00 0.00 0.00 51.96 51.82 1xby s ALA 190 Cb -0.13 -0.55 0.00 0.00 0.00 0.00 0.00 23.12 22.44 1xby s ALA 190 CO 0.05 0.04 0.00 0.41 0.00 0.00 0.00 175.76 176.26 1xby n GLY 191 N 3.96 0.22 0.28 0.00 0.00 -1.26 -1.77 105.19 106.62 1xby n GLY 191 Ca -0.23 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.85 1xby n GLY 191 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1xby h ARG 192 N 0.00 0.47 0.00 1.61 3.08 -1.92 -0.50 114.38 117.12 1xby h ARG 192 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1xby h ARG 192 Cb 0.00 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 29.94 1xby h ARG 192 CO 0.00 0.31 0.00 -1.13 -1.07 0.00 0.00 179.97 178.08 1xby n SER 193 N -4.97 0.48 -0.11 7.04 3.41 -1.26 -1.13 113.62 117.08 1xby n SER 193 Ca 0.15 0.62 -0.19 0.00 -0.26 0.00 0.00 58.87 59.19 1xby n SER 193 Cb 0.41 -0.72 -0.07 0.00 -0.26 0.00 0.00 64.21 63.57 1xby n SER 193 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1xby n ILE 194 N -2.03 1.51 -0.25 -1.33 5.41 -0.63 -4.31 119.36 117.72 1xby n ILE 194 Ca 0.02 -0.10 -0.02 0.00 1.00 0.00 0.00 62.75 63.66 1xby n ILE 194 Cb 0.21 -2.12 0.17 0.00 -0.71 0.00 0.00 39.64 37.20 1xby n ILE 194 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 1xby h ARG 195 N -1.00 1.08 -0.16 0.38 3.08 -1.04 -2.95 114.38 113.77 1xby h ARG 195 Ca -0.34 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 59.60 1xby h ARG 195 Cb 1.26 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 31.09 1xby h ARG 195 CO -0.21 0.78 0.00 -0.25 -1.07 0.00 0.00 179.97 179.22 1xby n ASP 196 N -4.36 2.89 -4.76 7.04 8.00 -0.28 -4.87 116.55 120.21 1xby n ASP 196 Ca 0.08 -1.92 -0.37 0.00 0.71 0.00 0.00 54.79 53.29 1xby n ASP 196 Cb 0.09 -0.09 0.03 0.00 -0.02 0.00 0.00 41.12 41.12 1xby n ASP 196 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xby s ALA 197 N -1.82 2.69 0.36 2.24 0.00 -1.11 -4.92 121.76 119.21 1xby s ALA 197 Ca 0.33 1.07 0.07 0.00 0.00 0.00 0.00 51.96 53.43 1xby s ALA 197 Cb 0.21 -3.46 0.78 0.00 0.00 0.00 0.00 23.12 20.65 1xby s ALA 197 CO 0.31 -1.11 1.93 0.00 0.00 0.00 0.00 175.76 176.89 1xby h ALA 198 N 1.25 1.76 -3.08 0.00 0.00 -1.92 -3.31 119.26 113.97 1xby h ALA 198 Ca -0.50 -0.01 -0.62 0.00 0.00 0.00 0.00 54.91 53.78 1xby h ALA 198 Cb 1.29 -0.17 -0.40 0.00 0.00 0.00 0.00 17.79 18.51 1xby h ALA 198 CO 0.57 0.09 -0.72 0.45 0.00 0.00 0.00 179.25 179.63 1xby s SER 199 N -6.08 3.80 0.44 0.00 0.15 -1.26 -4.99 113.70 105.76 1xby s SER 199 Ca -0.10 -2.63 0.19 0.00 0.70 0.00 0.00 55.95 54.11 1xby s SER 199 Cb 0.20 -1.14 1.14 0.00 -1.71 0.00 0.00 66.02 64.51 1xby s SER 199 CO 0.78 -0.27 1.89 -0.65 1.20 0.00 0.00 173.24 176.18 1xby h PRO 200 N 6.78 0.33 -0.14 5.44 0.11 -1.73 0.34 132.00 143.12 1xby h PRO 200 Ca -0.03 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.03 1xby h PRO 200 Cb 0.93 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.96 1xby h PRO 200 CO 0.52 0.22 -0.03 0.28 -0.21 0.00 0.00 178.00 178.78 1xby h VAL 201 N 0.34 1.28 -0.84 3.15 2.07 -1.89 -1.11 116.25 119.26 1xby h VAL 201 Ca 0.42 -0.95 -0.03 0.00 0.82 0.00 0.00 66.70 66.96 1xby h VAL 201 Cb 1.13 1.63 -0.04 0.00 -1.52 0.00 0.00 31.29 32.49 1xby h VAL 201 CO -0.13 0.28 0.40 -0.08 0.02 0.00 0.00 177.57 178.05 1xby h GLU 202 N -0.03 1.21 -0.38 1.57 4.81 -1.77 -1.63 114.58 118.36 1xby h GLU 202 Ca 0.04 -0.18 -0.01 0.00 -0.13 0.00 0.00 59.36 59.08 1xby h GLU 202 Cb 0.44 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 1xby h GLU 202 CO 0.01 0.93 0.19 0.00 -0.73 0.00 0.00 179.01 179.41 1xby h ALA 203 N 1.24 0.49 -0.40 2.92 0.00 -0.65 -0.30 119.26 122.56 1xby h ALA 203 Ca 0.29 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 1xby h ALA 203 Cb 0.12 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1xby h ALA 203 CO -0.04 0.04 -0.02 0.00 0.00 0.00 0.00 179.25 179.23 1xby h ALA 204 N 1.04 0.54 -0.67 0.00 0.00 -1.03 -2.28 119.26 116.87 1xby h ALA 204 Ca 0.13 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1xby h ALA 204 Cb 0.10 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1xby h ALA 204 CO -0.02 0.33 0.32 0.00 0.00 0.00 0.00 179.25 179.88 1xby h ARG 205 N 0.54 0.96 -0.60 0.00 3.08 -1.13 -1.64 114.38 115.60 1xby h ARG 205 Ca 0.11 -0.13 -0.09 0.00 0.07 0.00 0.00 59.98 59.95 1xby h ARG 205 Cb 0.50 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 1xby h ARG 205 CO 0.02 0.74 0.04 1.96 -1.07 0.00 0.00 179.97 181.66 1xby h GLN 206 N 0.95 1.01 -0.40 0.04 4.20 -0.95 0.10 115.11 120.07 1xby h GLN 206 Ca 0.23 -0.29 -0.00 0.00 0.06 0.00 0.00 58.65 58.65 1xby h GLN 206 Cb 0.10 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 1xby h GLN 206 CO -0.03 0.97 0.24 0.74 -0.67 0.00 0.00 178.83 180.08 1xby h PHE 207 N 0.94 0.52 -0.41 2.96 -1.00 -1.03 -0.92 116.94 118.01 1xby h PHE 207 Ca 0.18 -0.00 -0.14 0.00 2.81 0.00 0.00 57.97 60.81 1xby h PHE 207 Cb 0.49 -0.17 -0.01 0.00 3.61 0.00 0.00 35.95 39.87 1xby h PHE 207 CO 0.03 0.38 -0.31 0.87 -1.61 0.00 0.00 178.31 177.67 1xby h LYS 208 N 0.52 0.90 -0.31 1.51 1.57 -0.89 -1.37 116.57 118.49 1xby h LYS 208 Ca 0.14 -0.43 0.04 0.00 -1.87 0.00 0.00 60.65 58.54 1xby h LYS 208 Cb 0.01 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 1xby h LYS 208 CO -0.03 1.08 0.06 -0.09 -0.57 0.00 0.00 179.45 179.90 1xby h ARG 209 N 0.76 0.16 -0.45 3.15 2.43 -0.72 -0.76 114.38 118.95 1xby h ARG 209 Ca 0.08 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.16 1xby h ARG 209 Cb 0.88 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.38 1xby h ARG 209 CO 0.08 0.11 -0.04 1.03 -1.51 0.00 0.00 179.97 179.64 1xby h SER 210 N 0.17 0.82 -0.76 -3.80 0.87 -0.94 -1.69 113.55 108.23 1xby h SER 210 Ca 0.14 -0.33 0.00 0.00 -1.23 0.00 0.00 61.79 60.38 1xby h SER 210 Cb 0.16 -0.22 -0.04 0.00 -0.44 0.00 0.00 62.40 61.86 1xby h SER 210 CO -0.19 0.96 0.49 0.40 -0.53 0.00 0.00 176.83 177.96 1xby h ILE 211 N 0.67 1.20 -0.44 2.23 2.04 -1.08 -0.43 117.51 121.70 1xby h ILE 211 Ca 0.12 -0.39 -0.06 0.00 1.00 0.00 0.00 64.86 65.54 1xby h ILE 211 Cb 0.56 0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.72 1xby h ILE 211 CO 0.03 0.20 0.02 0.00 0.00 0.00 0.00 178.15 178.40 1xby h ALA 212 N 1.27 1.22 -0.14 1.87 0.00 -0.83 -0.56 119.26 122.09 1xby h ALA 212 Ca 0.28 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1xby h ALA 212 Cb -0.10 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 1xby h ALA 212 CO -0.06 0.52 -0.14 1.49 0.00 0.00 0.00 179.25 181.06 1xby h GLU 213 N 0.67 0.34 0.00 0.00 4.81 -0.91 -3.30 114.58 116.18 1xby h GLU 213 Ca 0.14 -0.18 -0.10 0.00 -0.13 0.00 0.00 59.36 59.09 1xby h GLU 213 Cb 0.38 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 1xby h GLU 213 CO 0.01 0.73 -0.46 -0.07 -0.73 0.00 0.00 179.01 178.49 1xby h LEU 214 N -0.05 0.00 -1.14 1.64 3.38 -0.92 -3.51 115.31 114.71 1xby h LEU 214 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1xby h LEU 214 Cb 0.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1xby h LEU 214 CO 0.04 0.46 0.00 0.79 0.09 0.00 0.00 178.44 179.82