#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3irt s GLN 2 N 0.00 1.25 0.27 3.17 -2.07 -1.26 -2.85 119.66 118.17 3irt s GLN 2 Ca 0.00 -0.47 0.02 0.00 -1.82 0.00 0.00 55.36 53.09 3irt s GLN 2 Cb 0.00 0.57 0.02 0.00 -1.09 0.00 0.00 33.01 32.51 3irt s GLN 2 CO 0.00 -0.53 0.13 1.28 -1.32 0.00 0.00 175.29 174.85 3irt n LEU 3 N -0.31 0.00 -4.74 2.60 4.77 -0.62 -4.90 117.00 113.79 3irt n LEU 3 Ca -0.17 -1.51 -0.41 0.00 -0.03 0.00 0.00 56.01 53.89 3irt n LEU 3 Cb 0.65 0.05 -0.05 0.00 -2.33 0.00 0.00 43.42 41.74 3irt n LEU 3 CO 0.13 -0.36 0.61 -0.54 -1.33 0.00 0.00 177.39 175.90 3irt s LYS 4 N -3.07 4.67 0.10 3.23 1.02 -1.26 -4.75 119.74 119.69 3irt s LYS 4 Ca 0.10 1.36 -0.34 0.00 0.02 0.00 0.00 55.97 57.11 3irt s LYS 4 Cb -0.01 -3.35 -0.13 0.00 -0.52 0.00 0.00 37.83 33.82 3irt s LYS 4 CO 0.06 0.31 1.65 -2.30 -0.92 0.00 0.00 175.35 174.15 3irt n PRO 5 N 2.48 2.15 -4.61 -1.68 -0.02 -1.26 -4.88 135.00 127.19 3irt n PRO 5 Ca 0.00 0.78 -0.30 0.00 -2.02 0.00 0.00 63.50 61.96 3irt n PRO 5 Cb 0.49 -2.57 -0.13 0.00 -0.02 0.00 0.00 33.50 31.27 3irt n PRO 5 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 3irt s MET 6 N 1.71 1.70 -0.30 -0.52 1.75 -1.26 -4.76 119.30 117.61 3irt s MET 6 Ca 0.82 -1.19 -0.22 0.00 -1.25 0.00 0.00 55.69 53.85 3irt s MET 6 Cb -0.68 -2.00 -0.00 0.00 2.84 0.00 0.00 34.83 34.99 3irt s MET 6 CO 0.41 0.49 0.73 -1.21 -0.65 0.00 0.00 175.02 174.79 3irt s GLU 7 N -1.67 3.95 -0.57 4.11 2.02 -1.26 -4.96 118.70 120.32 3irt s GLU 7 Ca 0.14 0.50 -0.28 0.00 0.02 0.00 0.00 54.97 55.35 3irt s GLU 7 Cb -0.10 -3.72 0.01 0.00 0.10 0.00 0.00 34.13 30.42 3irt s GLU 7 CO 0.05 -0.63 1.40 0.42 0.02 0.00 0.00 175.26 176.52 3irt s ILE 8 N 2.82 3.79 0.11 -1.63 1.09 -1.26 -4.68 121.20 121.44 3irt s ILE 8 Ca 0.30 0.67 -0.18 0.00 -1.10 0.00 0.00 60.65 60.33 3irt s ILE 8 Cb -0.14 -4.46 0.04 0.00 -1.06 0.00 0.00 42.46 36.83 3irt s ILE 8 CO 0.12 -1.20 0.44 0.54 -0.10 0.00 0.00 174.94 174.74 3irt s ASN 9 N 4.38 -0.31 0.39 3.58 2.20 -1.26 -5.04 114.94 118.88 3irt s ASN 9 Ca 0.51 -0.19 0.17 0.00 -0.94 0.00 0.00 52.86 52.41 3irt s ASN 9 Cb -0.10 0.49 1.05 0.00 -2.00 0.00 0.00 41.25 40.68 3irt s ASN 9 CO 0.24 -0.84 1.79 -0.65 -2.94 0.00 0.00 177.10 174.70 3irt h PRO 10 N 2.42 0.43 0.48 3.55 0.11 -1.90 -0.29 132.00 136.81 3irt h PRO 10 Ca -0.33 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.73 3irt h PRO 10 Cb 1.25 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3irt h PRO 10 CO 0.45 0.29 -0.23 1.49 -0.21 0.00 0.00 178.00 179.78 3irt h GLU 11 N 0.45 -0.63 -0.43 1.05 4.81 -1.96 -1.98 114.58 115.90 3irt h GLU 11 Ca 0.57 0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.84 3irt h GLU 11 Cb 1.36 0.14 -0.02 0.00 0.63 0.00 0.00 28.75 30.86 3irt h GLU 11 CO -0.29 -0.33 0.26 0.52 -0.73 0.00 0.00 179.01 178.45 3irt h MET 12 N -0.88 0.58 -0.02 1.92 2.86 -1.57 -2.04 114.93 115.78 3irt h MET 12 Ca -0.07 -0.05 0.01 0.00 -2.06 0.00 0.00 59.70 57.53 3irt h MET 12 Cb 0.59 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 3irt h MET 12 CO 0.11 0.42 -0.01 -0.07 1.06 0.00 0.00 176.91 178.42 3irt h LEU 13 N 0.57 -0.04 -1.25 1.22 3.38 -1.15 -2.50 115.31 115.54 3irt h LEU 13 Ca 0.15 0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.21 3irt h LEU 13 Cb -0.02 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 40.70 3irt h LEU 13 CO -0.03 -0.02 0.55 0.78 0.09 0.00 0.00 178.44 179.81 3irt h ASN 14 N -0.01 0.78 -0.77 -0.43 2.35 -1.17 0.14 115.58 116.48 3irt h ASN 14 Ca 0.01 0.01 0.03 0.00 -0.55 0.00 0.00 56.30 55.81 3irt h ASN 14 Cb 0.03 -0.16 -0.04 0.00 0.05 0.00 0.00 38.32 38.20 3irt h ASN 14 CO -0.03 0.49 0.50 0.11 -1.65 0.00 0.00 177.43 176.85 3irt h LYS 15 N 0.88 0.91 -0.23 0.81 1.57 -0.95 -0.92 116.57 118.64 3irt h LYS 15 Ca 0.37 -0.05 -0.18 0.00 -1.87 0.00 0.00 60.65 58.91 3irt h LYS 15 Cb 0.30 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.40 3irt h LYS 15 CO -0.14 0.60 -0.58 0.28 -0.57 0.00 0.00 179.45 179.04 3irt h VAL 16 N 0.94 1.29 -0.33 0.50 2.07 -0.42 -1.61 116.25 118.70 3irt h VAL 16 Ca 0.30 -1.80 0.07 0.00 0.82 0.00 0.00 66.70 66.10 3irt h VAL 16 Cb 0.05 1.73 -0.06 0.00 -1.52 0.00 0.00 31.29 31.48 3irt h VAL 16 CO -0.09 0.57 -0.09 -0.07 0.02 0.00 0.00 177.57 177.92 3irt h LEU 17 N 0.56 -0.31 0.19 2.57 3.38 -0.35 0.32 115.31 121.67 3irt h LEU 17 Ca 0.00 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3irt h LEU 17 Cb 1.17 0.21 0.00 0.00 0.09 0.00 0.00 40.66 42.13 3irt h LEU 17 CO 0.12 -0.11 -0.10 -1.28 0.09 0.00 0.00 178.44 177.16 3irt h SER 18 N -0.01 -0.23 0.15 -0.43 0.87 -1.06 -1.15 113.55 111.69 3irt h SER 18 Ca 0.16 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.71 3irt h SER 18 Cb 0.24 0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 62.26 3irt h SER 18 CO -0.34 -0.16 -0.10 0.03 -0.53 0.00 0.00 176.83 175.73 3irt h ARG 19 N -0.26 0.00 -0.01 2.24 3.08 -0.98 -0.37 114.38 118.07 3irt h ARG 19 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3irt h ARG 19 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.26 3irt h ARG 19 CO 0.04 0.10 -0.20 1.28 -1.07 0.00 0.00 179.97 180.11 3irt n LEU 20 N -4.12 1.01 -1.50 3.04 4.77 0.08 -4.78 117.00 115.50 3irt n LEU 20 Ca -0.03 -0.26 -0.02 0.00 -0.03 0.00 0.00 56.01 55.68 3irt n LEU 20 Cb 0.18 -0.11 0.01 0.00 -2.33 0.00 0.00 43.42 41.17 3irt n LEU 20 CO 0.33 0.19 0.01 0.61 -1.33 0.00 0.00 177.39 177.19 3irt n GLY 21 N 1.31 0.51 3.63 -0.72 0.00 -0.15 -2.50 105.19 107.26 3irt n GLY 21 Ca 0.13 -0.29 -0.34 0.00 0.00 0.00 0.00 46.02 45.52 3irt n GLY 21 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3irt s VAL 22 N -3.04 4.17 0.11 1.61 1.01 -0.51 -2.02 120.40 121.72 3irt s VAL 22 Ca 0.03 -0.29 -0.35 0.00 0.00 0.00 0.00 61.98 61.37 3irt s VAL 22 Cb -0.00 -2.77 -0.17 0.00 0.00 0.00 0.00 36.38 33.44 3irt s VAL 22 CO 0.09 0.57 1.05 0.00 0.00 0.00 0.00 175.10 176.81 3irt n ALA 23 N 2.50 -2.11 1.81 5.51 0.00 0.11 -4.68 120.51 123.66 3irt n ALA 23 Ca -0.18 0.51 0.01 0.00 0.00 0.00 0.00 53.44 53.78 3irt n ALA 23 Cb 0.53 -1.88 0.07 0.00 0.00 0.00 0.00 19.45 18.18 3irt n ALA 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3irt n GLY 24 N 1.91 -0.90 0.09 0.00 0.00 -1.26 -3.74 105.19 101.28 3irt n GLY 24 Ca 0.18 -0.02 -0.13 0.00 0.00 0.00 0.00 46.02 46.05 3irt n GLY 24 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3irt h GLN 25 N 0.00 -0.09 -6.05 1.61 4.20 -1.98 -3.44 115.11 109.36 3irt h GLN 25 Ca 0.00 0.01 -0.60 0.00 0.06 0.00 0.00 58.65 58.11 3irt h GLN 25 Cb 0.00 0.02 -0.05 0.00 0.30 0.00 0.00 27.48 27.75 3irt h GLN 25 CO 0.00 0.31 -0.20 -1.58 -0.67 0.00 0.00 178.83 176.69 3irt s TRP 26 N -4.43 3.70 0.08 2.96 0.52 -1.25 -1.49 118.94 119.04 3irt s TRP 26 Ca -0.15 0.97 -0.08 0.00 0.02 0.00 0.00 56.10 56.86 3irt s TRP 26 Cb 0.02 -2.28 -0.01 0.00 -1.15 0.00 0.00 33.47 30.06 3irt s TRP 26 CO 0.63 0.61 0.16 1.03 0.02 0.00 0.00 176.95 179.41 3irt s ARG 27 N -1.25 0.80 0.12 4.98 1.81 -0.63 -4.88 118.95 119.90 3irt s ARG 27 Ca 0.26 -0.96 -0.26 0.00 -1.72 0.00 0.00 55.73 53.05 3irt s ARG 27 Cb -0.16 0.32 -0.07 0.00 -0.45 0.00 0.00 34.95 34.59 3irt s ARG 27 CO 0.15 -0.24 0.80 -0.06 -0.68 0.00 0.00 175.30 175.27 3irt s PHE 28 N -3.74 3.84 0.12 -0.53 0.40 -1.26 -1.89 117.98 114.92 3irt s PHE 28 Ca 0.04 1.62 0.06 0.00 -0.60 0.00 0.00 56.93 58.04 3irt s PHE 28 Cb 0.05 -2.83 -0.04 0.00 0.51 0.00 0.00 43.02 40.71 3irt s PHE 28 CO -0.10 0.40 -0.13 0.14 0.70 0.00 0.00 175.22 176.22 3irt s VAL 29 N -0.65 1.27 0.57 -0.44 -7.23 0.07 -4.74 120.40 109.26 3irt s VAL 29 Ca 0.38 -1.72 -0.18 0.00 -1.81 0.00 0.00 61.98 58.65 3irt s VAL 29 Cb -0.22 -1.52 -0.05 0.00 0.56 0.00 0.00 36.38 35.15 3irt s VAL 29 CO 0.26 -0.45 1.13 -1.81 -0.31 0.00 0.00 175.10 173.92 3irt s ASP 30 N -2.48 5.57 -0.22 4.85 1.01 -1.26 -0.72 116.67 123.42 3irt s ASP 30 Ca 0.09 2.15 -0.01 0.00 0.71 0.00 0.00 52.55 55.48 3irt s ASP 30 Cb -0.04 -2.58 0.06 0.00 1.01 0.00 0.00 42.92 41.37 3irt s ASP 30 CO 0.03 -1.32 -0.00 -0.69 0.21 0.00 0.00 175.17 173.40 3irt s VAL 31 N -1.88 0.98 -1.85 -1.27 1.01 -0.51 -4.75 120.40 112.12 3irt s VAL 31 Ca 0.72 -0.89 0.27 0.00 0.00 0.00 0.00 61.98 62.08 3irt s VAL 31 Cb -0.23 -1.40 0.32 0.00 0.00 0.00 0.00 36.38 35.07 3irt s VAL 31 CO 0.30 -0.19 1.61 0.18 0.00 0.00 0.00 175.10 177.01 3irt n LEU 32 N 4.87 1.05 -3.58 3.92 4.32 -1.26 -4.04 117.00 122.28 3irt n LEU 32 Ca -0.10 -0.28 -0.16 0.00 -0.02 0.00 0.00 56.01 55.45 3irt n LEU 32 Cb 0.46 -0.11 -0.07 0.00 -1.62 0.00 0.00 43.42 42.08 3irt n LEU 32 CO 0.15 0.19 0.40 -0.83 -1.22 0.00 0.00 177.39 176.08 3irt s GLY 33 N -2.43 -0.53 -0.88 -0.72 0.00 -1.26 -5.09 107.32 96.41 3irt s GLY 33 Ca 0.26 1.51 -0.00 0.00 0.00 0.00 0.00 44.72 46.49 3irt s GLY 33 CO 0.49 1.20 0.89 1.04 0.00 0.00 0.00 173.10 176.71 3irt n LEU 34 N 1.63 4.45 0.00 0.66 4.77 -1.26 -4.43 117.00 122.82 3irt n LEU 34 Ca -0.17 -5.21 -0.03 0.00 -0.03 0.00 0.00 56.01 50.57 3irt n LEU 34 Cb 0.56 -1.03 0.01 0.00 -2.33 0.00 0.00 43.42 40.63 3irt n LEU 34 CO 0.16 1.69 0.31 -1.84 -1.33 0.00 0.00 177.39 176.38 3irt n GLU 35 N 1.84 0.40 0.00 3.23 0.00 -1.26 -4.90 120.64 119.95 3irt n GLU 35 Ca 0.24 -0.83 0.00 0.00 0.00 0.00 0.00 57.16 56.57 3irt n GLU 35 Cb 0.37 1.07 0.00 0.00 0.00 0.00 0.00 31.44 32.88 3irt n GLU 35 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.13 176.28 3irt n GLU 36 N -0.29 0.00 -1.74 3.44 0.00 -1.26 -3.82 120.64 116.97 3irt n GLU 36 Ca -0.02 0.89 -0.30 0.00 0.00 0.00 0.00 57.16 57.73 3irt n GLU 36 Cb 0.27 -1.35 0.21 0.00 0.00 0.00 0.00 31.44 30.57 3irt n GLU 36 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 3irt s GLU 37 N -2.92 0.07 0.00 3.44 2.12 -1.26 -3.76 118.70 116.39 3irt s GLU 37 Ca 0.00 -0.39 0.00 0.00 0.36 0.00 0.00 54.97 54.94 3irt s GLU 37 Cb 0.00 -1.78 0.00 0.00 0.26 0.00 0.00 34.13 32.61 3irt s GLU 37 CO 0.00 -2.80 0.00 0.45 -0.54 0.00 0.00 175.26 172.37 3irt n SER 38 N -4.04 0.00 0.07 -1.70 2.88 -1.26 -4.52 113.62 105.05 3irt n SER 38 Ca 0.16 0.00 -0.23 0.00 -1.33 0.00 0.00 58.87 57.47 3irt n SER 38 Cb 0.59 -0.09 -0.15 0.00 -0.75 0.00 0.00 64.21 63.82 3irt n SER 38 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 3irt h LEU 39 N 0.00 0.62 -1.67 2.46 3.38 -1.66 -3.32 115.31 115.12 3irt h LEU 39 Ca 0.00 -0.92 -0.02 0.00 0.09 0.00 0.00 57.88 57.03 3irt h LEU 39 Cb 0.00 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 3irt h LEU 39 CO 0.00 1.73 0.05 1.23 0.09 0.00 0.00 178.44 181.53 3irt h GLY 40 N 0.40 0.27 2.00 0.83 0.00 -1.79 -1.51 103.07 103.27 3irt h GLY 40 Ca -0.31 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 46.90 3irt h GLY 40 CO 0.17 0.12 0.00 0.23 0.00 0.00 0.00 176.54 177.06 3irt h SER 41 N 0.26 0.00 -3.37 0.19 0.87 -1.92 -3.42 113.55 106.16 3irt h SER 41 Ca 0.06 0.00 -0.56 0.00 -1.23 0.00 0.00 61.79 60.07 3irt h SER 41 Cb 0.10 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.02 3irt h SER 41 CO -0.00 0.00 0.22 -0.69 -0.53 0.00 0.00 176.83 175.82 3irt s VAL 42 N -3.56 4.97 0.87 2.23 1.01 -0.57 -5.03 120.40 120.33 3irt s VAL 42 Ca 0.02 1.66 -0.15 0.00 0.00 0.00 0.00 61.98 63.50 3irt s VAL 42 Cb 0.09 -4.14 -0.04 0.00 0.00 0.00 0.00 36.38 32.30 3irt s VAL 42 CO 0.44 0.19 0.14 -2.65 0.00 0.00 0.00 175.10 173.23 3irt n PRO 43 N 4.03 -0.04 -4.28 2.72 -0.02 -1.26 -5.01 135.00 131.14 3irt n PRO 43 Ca 0.02 0.02 -0.17 0.00 -2.02 0.00 0.00 63.50 61.35 3irt n PRO 43 Cb 0.51 -1.61 -0.10 0.00 -0.02 0.00 0.00 33.50 32.27 3irt n PRO 43 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3irt s ALA 44 N -2.15 1.64 0.42 3.55 0.00 -1.26 -4.32 121.76 119.65 3irt s ALA 44 Ca 0.56 -1.48 -0.14 0.00 0.00 0.00 0.00 51.96 50.90 3irt s ALA 44 Cb -0.26 -0.03 -0.08 0.00 0.00 0.00 0.00 23.12 22.75 3irt s ALA 44 CO 0.68 0.02 0.84 -2.14 0.00 0.00 0.00 175.76 175.16 3irt s PRO 45 N -3.38 3.90 -0.14 0.00 0.02 -1.26 -4.58 135.00 129.56 3irt s PRO 45 Ca 0.16 0.69 -0.05 0.00 0.02 0.00 0.00 61.00 61.83 3irt s PRO 45 Cb -0.01 -2.31 -0.04 0.00 0.02 0.00 0.00 34.50 32.17 3irt s PRO 45 CO 0.03 -0.07 0.02 0.00 -0.33 0.00 0.00 177.00 176.66 3irt s ALA 46 N -2.36 3.30 -0.89 -1.55 0.00 -1.26 -3.26 121.76 115.74 3irt s ALA 46 Ca 0.55 -0.77 0.13 0.00 0.00 0.00 0.00 51.96 51.87 3irt s ALA 46 Cb -0.10 -1.69 -0.08 0.00 0.00 0.00 0.00 23.12 21.24 3irt s ALA 46 CO 0.27 0.35 0.65 0.00 0.00 0.00 0.00 175.76 177.03 3irt s ALA 48 N -2.00 -1.79 -0.12 0.00 0.00 -1.24 -4.41 121.76 112.20 3irt s ALA 48 Ca 0.08 2.10 0.02 0.00 0.00 0.00 0.00 51.96 54.15 3irt s ALA 48 Cb 0.10 -1.22 0.01 0.00 0.00 0.00 0.00 23.12 22.01 3irt s ALA 48 CO 0.45 -0.35 -0.17 -1.17 0.00 0.00 0.00 175.76 174.53 3irt s LEU 49 N 0.62 1.81 -0.08 0.00 2.96 -0.29 -1.04 118.68 122.66 3irt s LEU 49 Ca -0.02 -0.47 0.02 0.00 -0.22 0.00 0.00 54.13 53.44 3irt s LEU 49 Cb -0.05 -1.17 -0.02 0.00 0.50 0.00 0.00 46.19 45.45 3irt s LEU 49 CO -0.03 0.03 -0.14 -0.76 -1.32 0.00 0.00 176.35 174.13 3irt s LEU 50 N 0.96 2.72 -0.14 -0.68 1.02 -0.29 -0.05 118.68 122.23 3irt s LEU 50 Ca -0.06 -0.25 0.00 0.00 0.02 0.00 0.00 54.13 53.84 3irt s LEU 50 Cb -0.15 -1.58 -0.01 0.00 0.02 0.00 0.00 46.19 44.48 3irt s LEU 50 CO -0.02 0.27 -0.15 -0.22 0.02 0.00 0.00 176.35 176.26 3irt s LEU 51 N -0.30 2.57 -0.40 1.79 2.96 0.61 -1.91 118.68 124.00 3irt s LEU 51 Ca 0.02 -0.41 -0.16 0.00 -0.22 0.00 0.00 54.13 53.37 3irt s LEU 51 Cb -0.13 -1.58 0.01 0.00 0.50 0.00 0.00 46.19 45.00 3irt s LEU 51 CO 0.03 0.12 0.34 -0.22 -1.32 0.00 0.00 176.35 175.30 3irt s LEU 52 N 0.59 4.91 -0.08 -0.68 2.96 0.47 -0.64 118.68 126.20 3irt s LEU 52 Ca -0.09 -0.71 -0.05 0.00 -0.22 0.00 0.00 54.13 53.06 3irt s LEU 52 Cb -0.16 -2.25 0.03 0.00 0.50 0.00 0.00 46.19 44.32 3irt s LEU 52 CO 0.03 -0.46 0.20 0.12 -1.32 0.00 0.00 176.35 174.93 3irt s PHE 53 N 1.87 -0.25 0.34 5.38 5.36 -0.41 -1.93 117.98 128.33 3irt s PHE 53 Ca 0.08 0.61 -0.26 0.00 -0.96 0.00 0.00 56.93 56.40 3irt s PHE 53 Cb -0.18 0.03 -0.09 0.00 -0.34 0.00 0.00 43.02 42.44 3irt s PHE 53 CO 0.11 -0.16 1.01 -2.14 -1.46 0.00 0.00 175.22 172.58 3irt s PRO 54 N 0.74 4.46 -0.05 10.12 0.02 -1.26 -0.56 135.00 148.48 3irt s PRO 54 Ca -0.05 1.49 0.06 0.00 0.02 0.00 0.00 61.00 62.52 3irt s PRO 54 Cb -0.07 -2.82 -0.01 0.00 0.02 0.00 0.00 34.50 31.63 3irt s PRO 54 CO -0.04 0.13 -0.23 -0.51 -0.33 0.00 0.00 177.00 176.02 3irt s LEU 55 N -2.09 2.03 0.65 -5.54 1.43 -0.75 -4.92 118.68 109.49 3irt s LEU 55 Ca 0.51 -0.46 -0.15 0.00 -1.03 0.00 0.00 54.13 53.00 3irt s LEU 55 Cb -0.23 -1.25 -0.01 0.00 0.03 0.00 0.00 46.19 44.73 3irt s LEU 55 CO 0.29 0.23 1.09 0.42 0.23 0.00 0.00 176.35 178.61 3irt s THR 56 N -0.18 3.45 0.25 5.49 -4.23 -1.26 -4.70 115.64 114.47 3irt s THR 56 Ca -0.02 0.65 -0.03 0.00 -1.18 0.00 0.00 61.69 61.12 3irt s THR 56 Cb -0.12 -3.18 0.23 0.00 1.34 0.00 0.00 72.50 70.76 3irt s THR 56 CO 0.03 -0.44 1.73 0.00 -0.54 0.00 0.00 174.62 175.39 3irt h ALA 57 N 0.02 1.14 0.30 3.99 0.00 -2.00 -0.84 119.26 121.87 3irt h ALA 57 Ca -0.46 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 3irt h ALA 57 Cb 1.24 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3irt h ALA 57 CO 0.55 -0.21 -0.14 1.96 0.00 0.00 0.00 179.25 181.41 3irt h GLN 58 N 0.46 -0.39 -0.40 0.00 7.50 -2.01 -2.79 115.11 117.49 3irt h GLN 58 Ca 0.44 0.03 0.02 0.00 0.50 0.00 0.00 58.65 59.64 3irt h GLN 58 Cb 0.69 0.09 -0.02 0.00 0.05 0.00 0.00 27.48 28.29 3irt h GLN 58 CO -0.42 -0.18 0.27 0.45 -1.50 0.00 0.00 178.83 177.45 3irt h HIS 59 N -0.52 0.45 0.16 2.96 3.86 -1.79 -1.68 115.15 118.61 3irt h HIS 59 Ca -0.04 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.17 3irt h HIS 59 Cb 0.38 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 28.70 3irt h HIS 59 CO -0.03 0.27 -0.08 1.49 0.86 0.00 0.00 177.93 180.45 3irt h GLU 60 N 0.48 -0.21 -0.89 2.45 4.81 -1.06 0.93 114.58 121.08 3irt h GLU 60 Ca 0.16 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.46 3irt h GLU 60 Cb 0.04 0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.41 3irt h GLU 60 CO -0.04 0.19 0.56 -0.91 -0.73 0.00 0.00 179.01 178.09 3irt h ASN 61 N -0.69 0.90 0.03 1.04 2.35 -1.40 0.34 115.58 118.16 3irt h ASN 61 Ca -0.02 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 3irt h ASN 61 Cb 0.50 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.68 3irt h ASN 61 CO 0.04 0.59 -0.07 0.15 -1.65 0.00 0.00 177.43 176.49 3irt h PHE 62 N 1.04 -0.19 -0.80 1.19 3.04 -1.23 -2.41 116.94 117.58 3irt h PHE 62 Ca 0.38 0.00 0.14 0.00 3.98 0.00 0.00 57.97 62.47 3irt h PHE 62 Cb 0.13 0.08 -0.09 0.00 2.56 0.00 0.00 35.95 38.63 3irt h PHE 62 CO -0.02 -0.08 0.38 -0.09 -2.02 0.00 0.00 178.31 176.48 3irt h ARG 63 N -0.11 0.54 -0.64 1.11 9.65 -0.53 -1.51 114.38 122.90 3irt h ARG 63 Ca -0.00 -0.03 0.07 0.00 -1.10 0.00 0.00 59.98 58.92 3irt h ARG 63 Cb 0.10 -0.12 -0.06 0.00 -1.39 0.00 0.00 29.97 28.50 3irt h ARG 63 CO -0.03 0.36 0.32 0.87 2.80 0.00 0.00 179.97 184.29 3irt h LYS 64 N 0.56 0.56 -0.43 0.20 1.57 -0.86 0.16 116.57 118.34 3irt h LYS 64 Ca 0.44 -0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 59.08 3irt h LYS 64 Cb 0.62 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 3irt h LYS 64 CO -0.37 0.37 -0.14 0.87 -0.57 0.00 0.00 179.45 179.62 3irt h LYS 65 N 0.58 0.84 -0.34 3.15 1.79 -0.79 0.07 116.57 121.88 3irt h LYS 65 Ca 0.30 -0.34 0.07 0.00 -2.18 0.00 0.00 60.65 58.50 3irt h LYS 65 Cb 0.27 -0.04 -0.07 0.00 -1.58 0.00 0.00 32.23 30.81 3irt h LYS 65 CO -0.23 0.97 -0.10 0.37 -1.08 0.00 0.00 179.45 179.39 3irt h GLN 66 N 0.67 -0.02 -0.30 3.15 4.15 -0.53 0.52 115.11 122.75 3irt h GLN 66 Ca 0.10 0.00 -0.10 0.00 0.77 0.00 0.00 58.65 59.42 3irt h GLN 66 Cb 0.68 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.36 3irt h GLN 66 CO 0.05 -0.01 -0.25 0.82 -1.93 0.00 0.00 178.83 177.51 3irt h ILE 67 N -0.02 1.27 -0.31 2.39 2.04 -0.90 -2.46 117.51 119.53 3irt h ILE 67 Ca 0.16 -1.31 -0.07 0.00 1.00 0.00 0.00 64.86 64.64 3irt h ILE 67 Cb 0.27 1.31 -0.02 0.00 -0.74 0.00 0.00 36.82 37.64 3irt h ILE 67 CO -0.36 0.42 -0.09 -0.08 0.00 0.00 0.00 178.15 178.05 3irt h GLU 68 N 0.51 0.51 0.09 2.37 4.57 -0.13 -2.90 114.58 119.62 3irt h GLU 68 Ca 0.07 -0.14 -0.00 0.00 -1.18 0.00 0.00 59.36 58.11 3irt h GLU 68 Cb 0.71 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.24 3irt h GLU 68 CO 0.05 0.61 -0.04 1.49 -1.18 0.00 0.00 179.01 179.94 3irt h GLU 69 N 0.48 -0.12 -3.99 1.92 4.57 0.45 -3.14 114.58 114.76 3irt h GLU 69 Ca 0.09 0.01 -0.62 0.00 -1.18 0.00 0.00 59.36 57.66 3irt h GLU 69 Cb 0.46 0.03 0.01 0.00 -0.16 0.00 0.00 28.75 29.09 3irt h GLU 69 CO 0.02 -0.02 2.78 1.28 -1.18 0.00 0.00 179.01 181.90 3irt n LEU 70 N -5.11 5.59 0.00 1.64 4.77 -0.97 -4.85 117.00 118.06 3irt n LEU 70 Ca -0.08 -3.43 0.00 0.00 -0.03 0.00 0.00 56.01 52.47 3irt n LEU 70 Cb 0.10 -1.32 0.00 0.00 -2.33 0.00 0.00 43.42 39.87 3irt n LEU 70 CO 0.34 0.52 0.00 0.29 -1.33 0.00 0.00 177.39 177.21 3irt n LYS 71 N 5.86 0.00 -0.77 3.23 5.02 -1.19 -4.63 118.16 125.69 3irt n LYS 71 Ca 0.53 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 56.48 3irt n LYS 71 Cb 0.33 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.27 3irt n LYS 71 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3irt n GLY 72 N 1.53 -0.12 2.01 0.72 0.00 -1.26 -4.59 105.19 103.48 3irt n GLY 72 Ca 0.00 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.69 3irt n GLY 72 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3irt n GLN 73 N 4.55 0.00 0.00 1.61 7.27 -1.26 -5.07 117.38 124.47 3irt n GLN 73 Ca 0.34 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.41 3irt n GLN 73 Cb -0.02 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.63 3irt n GLN 73 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 3irt n GLU 74 N -2.65 0.06 -1.81 3.69 -0.58 -1.26 -5.11 120.64 112.97 3irt n GLU 74 Ca 0.00 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.32 3irt n GLU 74 Cb 0.00 -0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 30.84 3irt n GLU 74 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3irt s VAL 75 N 0.00 3.26 0.39 2.62 1.01 -1.26 -4.96 120.40 121.46 3irt s VAL 75 Ca 0.00 0.31 -0.25 0.00 0.00 0.00 0.00 61.98 62.04 3irt s VAL 75 Cb 0.00 -3.22 -0.09 0.00 0.00 0.00 0.00 36.38 33.07 3irt s VAL 75 CO 0.00 -0.05 1.08 -0.55 0.00 0.00 0.00 175.10 175.58 3irt s SER 76 N 4.49 6.72 0.44 3.32 0.15 -1.26 -4.95 113.70 122.61 3irt s SER 76 Ca 0.83 2.14 0.13 0.00 0.70 0.00 0.00 55.95 59.75 3irt s SER 76 Cb -0.37 -2.60 1.02 0.00 -1.71 0.00 0.00 66.02 62.37 3irt s SER 76 CO 0.36 -0.52 2.02 1.55 1.20 0.00 0.00 173.24 177.85 3irt h PRO 77 N 2.63 0.37 0.00 5.44 0.13 -2.01 -1.72 132.00 136.84 3irt h PRO 77 Ca -0.48 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 3irt h PRO 77 Cb 1.22 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.27 3irt h PRO 77 CO 0.63 0.25 0.00 1.63 -0.23 0.00 0.00 178.00 180.27 3irt n LYS 78 N -4.47 0.01 -2.83 0.86 5.02 -1.26 -4.65 118.16 110.83 3irt n LYS 78 Ca 0.06 0.41 -0.42 0.00 -2.02 0.00 0.00 58.31 56.34 3irt n LYS 78 Cb 0.26 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.73 3irt n LYS 78 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3irt s VAL 79 N -2.93 4.82 -0.19 -0.18 1.01 -0.65 -4.99 120.40 117.29 3irt s VAL 79 Ca 0.02 1.73 -0.22 0.00 0.00 0.00 0.00 61.98 63.51 3irt s VAL 79 Cb 0.02 -4.18 -0.02 0.00 0.00 0.00 0.00 36.38 32.20 3irt s VAL 79 CO 0.07 -0.05 0.68 -0.47 0.00 0.00 0.00 175.10 175.33 3irt s TYR 80 N 2.56 3.39 -0.08 5.22 6.14 -1.26 -5.02 117.35 128.29 3irt s TYR 80 Ca 0.39 1.01 -0.04 0.00 0.64 0.00 0.00 57.07 59.07 3irt s TYR 80 Cb -0.16 -2.85 0.03 0.00 0.42 0.00 0.00 41.96 39.40 3irt s TYR 80 CO 0.10 -0.19 0.18 0.12 0.64 0.00 0.00 175.55 176.40 3irt s PHE 81 N 1.98 -0.22 -0.01 4.97 5.36 -1.26 -4.88 117.98 123.91 3irt s PHE 81 Ca 0.31 0.57 0.03 0.00 -0.96 0.00 0.00 56.93 56.87 3irt s PHE 81 Cb -0.16 -0.00 -0.00 0.00 -0.34 0.00 0.00 43.02 42.52 3irt s PHE 81 CO 0.11 -0.16 -0.08 0.00 -1.46 0.00 0.00 175.22 173.62 3irt s MET 82 N 0.88 0.78 0.46 10.12 0.23 -1.26 -3.74 119.30 126.77 3irt s MET 82 Ca -0.07 -0.29 -0.24 0.00 -1.03 0.00 0.00 55.69 54.06 3irt s MET 82 Cb -0.08 -0.74 -0.07 0.00 -1.53 0.00 0.00 34.83 32.40 3irt s MET 82 CO -0.05 0.15 1.25 0.15 -2.03 0.00 0.00 175.02 174.49 3irt s LYS 83 N -0.03 3.71 -0.23 3.16 -0.14 -0.94 -4.55 119.74 120.71 3irt s LYS 83 Ca 0.01 2.00 -0.19 0.00 -1.36 0.00 0.00 55.97 56.43 3irt s LYS 83 Cb -0.05 -2.50 -0.03 0.00 -1.68 0.00 0.00 37.83 33.57 3irt s LYS 83 CO -0.00 -0.66 0.54 -1.14 -0.76 0.00 0.00 175.35 173.33 3irt s GLN 84 N -2.57 4.13 0.00 1.68 0.74 0.62 -4.51 119.66 119.74 3irt s GLN 84 Ca 0.63 0.41 0.00 0.00 0.05 0.00 0.00 55.36 56.45 3irt s GLN 84 Cb -0.34 -3.62 0.00 0.00 1.10 0.00 0.00 33.01 30.15 3irt s GLN 84 CO 0.42 -0.28 0.00 0.25 -0.55 0.00 0.00 175.29 175.13 3irt n THR 85 N 4.92 0.00 -3.68 -0.34 -2.24 -1.26 -4.79 114.28 106.89 3irt n THR 85 Ca -0.04 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.37 3irt n THR 85 Cb 0.50 -0.04 -0.06 0.00 -2.10 0.00 0.00 70.33 68.63 3irt n THR 85 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3irt s ILE 86 N -1.94 5.29 0.48 2.28 1.01 -1.26 -4.95 121.20 122.11 3irt s ILE 86 Ca 0.00 0.50 -0.20 0.00 0.00 0.00 0.00 60.65 60.95 3irt s ILE 86 Cb 0.00 -3.56 -0.09 0.00 0.01 0.00 0.00 42.46 38.83 3irt s ILE 86 CO 0.00 0.56 1.04 -0.83 0.00 0.00 0.00 174.94 175.71 3irt s GLY 87 N -0.77 2.52 0.00 6.18 0.00 -1.13 -3.37 107.32 110.76 3irt s GLY 87 Ca 0.18 0.61 0.00 0.00 0.00 0.00 0.00 44.72 45.52 3irt s GLY 87 CO 0.07 0.94 0.00 0.70 0.00 0.00 0.00 173.10 174.81 3irt n ASN 88 N -0.90 0.00 0.00 1.64 3.02 -1.26 -1.59 115.26 116.16 3irt n ASN 88 Ca 0.09 0.00 0.15 0.00 -0.03 0.00 0.00 54.58 54.79 3irt n ASN 88 Cb 0.52 -1.13 0.91 0.00 -0.61 0.00 0.00 39.78 39.47 3irt n ASN 88 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3irt n SER 89 N 0.00 0.00 -0.20 6.41 3.41 -1.22 -4.32 113.62 117.71 3irt n SER 89 Ca 0.00 -1.01 -0.05 0.00 -0.26 0.00 0.00 58.87 57.54 3irt n SER 89 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 3irt n SER 89 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3irt h GLY 91 N 0.00 1.02 1.20 0.00 0.00 -1.93 -3.00 103.07 100.36 3irt h GLY 91 Ca 0.07 -0.81 -0.13 0.00 0.00 0.00 0.00 47.33 46.47 3irt h GLY 91 CO -0.44 0.74 -0.22 -0.84 0.00 0.00 0.00 176.54 175.79 3irt h THR 92 N 0.81 1.27 -0.67 4.70 2.02 -1.69 -1.92 112.91 117.43 3irt h THR 92 Ca 0.14 -1.36 0.10 0.00 0.77 0.00 0.00 66.41 66.05 3irt h THR 92 Cb 0.62 1.15 -0.07 0.00 -1.74 0.00 0.00 68.15 68.10 3irt h THR 92 CO 0.04 0.47 0.30 0.24 0.37 0.00 0.00 175.52 176.93 3irt h MET 93 N 0.79 0.49 -0.25 6.66 2.86 -1.06 0.12 114.93 124.54 3irt h MET 93 Ca 0.11 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.71 3irt h MET 93 Cb 0.77 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.31 3irt h MET 93 CO 0.06 0.32 0.13 0.78 1.06 0.00 0.00 176.91 179.26 3irt h GLY 94 N 0.50 0.37 0.49 8.32 0.00 -1.34 -1.50 103.07 109.92 3irt h GLY 94 Ca 0.34 -0.18 0.06 0.00 0.00 0.00 0.00 47.33 47.55 3irt h GLY 94 CO -0.30 0.17 0.05 -2.00 0.00 0.00 0.00 176.54 174.46 3irt h LEU 95 N 0.28 -0.04 0.26 3.11 6.46 -0.51 -0.93 115.31 123.93 3irt h LEU 95 Ca 0.09 0.07 -0.01 0.00 -0.12 0.00 0.00 57.88 57.90 3irt h LEU 95 Cb 0.09 0.11 0.00 0.00 -0.73 0.00 0.00 40.66 40.13 3irt h LEU 95 CO -0.01 0.02 -0.12 0.40 -0.62 0.00 0.00 178.44 178.10 3irt h ILE 96 N 0.17 0.76 -0.81 4.05 2.04 -0.61 -1.88 117.51 121.23 3irt h ILE 96 Ca 0.18 -0.06 0.10 0.00 1.00 0.00 0.00 64.86 66.08 3irt h ILE 96 Cb 0.23 0.79 -0.06 0.00 -0.74 0.00 0.00 36.82 37.05 3irt h ILE 96 CO -0.26 0.01 0.53 0.45 0.00 0.00 0.00 178.15 178.88 3irt h HIS 97 N -0.38 0.82 -0.44 1.37 3.86 -1.07 0.37 115.15 119.67 3irt h HIS 97 Ca -0.04 0.02 -0.09 0.00 -1.16 0.00 0.00 60.37 59.11 3irt h HIS 97 Cb 0.29 -0.26 -0.02 0.00 1.06 0.00 0.00 27.41 28.47 3irt h HIS 97 CO -0.05 0.38 -0.09 0.00 0.86 0.00 0.00 177.93 179.03 3irt h ALA 98 N 1.59 1.01 0.00 2.45 0.00 -0.80 -2.76 119.26 120.75 3irt h ALA 98 Ca 0.37 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3irt h ALA 98 Cb 0.44 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 3irt h ALA 98 CO -0.15 0.60 -0.11 0.28 0.00 0.00 0.00 179.25 179.87 3irt h VAL 99 N 0.72 1.50 -0.97 0.00 2.07 -0.41 -3.28 116.25 115.88 3irt h VAL 99 Ca 0.13 -2.17 0.28 0.00 0.82 0.00 0.00 66.70 65.76 3irt h VAL 99 Cb 0.56 2.88 -0.04 0.00 -1.52 0.00 0.00 31.29 33.17 3irt h VAL 99 CO 0.03 0.51 0.73 0.00 0.02 0.00 0.00 177.57 178.87 3irt h ALA 100 N -0.16 2.89 -0.48 1.67 0.00 -0.37 0.19 119.26 122.99 3irt h ALA 100 Ca -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3irt h ALA 100 Cb 0.91 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3irt h ALA 100 CO -0.02 -1.23 0.00 0.09 0.00 0.00 0.00 179.25 178.09 3irt n ASN 101 N -4.12 4.70 -1.35 0.00 3.02 -1.04 -4.28 115.26 112.19 3irt n ASN 101 Ca 0.20 -2.75 -0.01 0.00 -0.03 0.00 0.00 54.58 52.00 3irt n ASN 101 Cb 1.07 -0.58 -0.01 0.00 -0.61 0.00 0.00 39.78 39.64 3irt n ASN 101 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3irt n ASN 102 N 0.42 0.14 0.30 6.41 3.02 0.62 -4.91 115.26 121.25 3irt n ASN 102 Ca 0.24 -2.00 0.18 0.00 -0.03 0.00 0.00 54.58 52.96 3irt n ASN 102 Cb 0.96 -0.04 0.90 0.00 -0.61 0.00 0.00 39.78 40.99 3irt n ASN 102 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 3irt h GLN 103 N 0.62 0.00 0.00 3.52 4.20 -1.65 -0.66 115.11 121.15 3irt h GLN 103 Ca -0.37 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.34 3irt h GLN 103 Cb 1.67 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.45 3irt h GLN 103 CO -0.07 0.04 0.00 0.38 -0.67 0.00 0.00 178.83 178.51 3irt h ASP 104 N 0.00 0.00 0.00 1.46 2.03 -1.91 -3.19 116.42 114.82 3irt h ASP 104 Ca -0.00 0.00 -0.15 0.00 -0.73 0.00 0.00 57.03 56.15 3irt h ASP 104 Cb 0.27 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.74 3irt h ASP 104 CO 0.00 0.00 -1.60 0.29 -1.03 0.00 0.00 179.24 176.90 3irt n LYS 105 N -2.85 2.25 -3.99 4.15 5.02 -0.33 -5.02 118.16 117.39 3irt n LYS 105 Ca -0.00 -0.01 -0.33 0.00 -2.02 0.00 0.00 58.31 55.94 3irt n LYS 105 Cb 0.20 -1.23 -0.06 0.00 -0.02 0.00 0.00 35.03 33.92 3irt n LYS 105 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3irt s LEU 106 N -4.55 4.15 0.42 -0.35 1.02 -0.75 -4.96 118.68 113.66 3irt s LEU 106 Ca -0.04 0.24 0.08 0.00 0.02 0.00 0.00 54.13 54.42 3irt s LEU 106 Cb 0.03 -2.49 -0.03 0.00 0.02 0.00 0.00 46.19 43.72 3irt s LEU 106 CO 0.38 0.26 0.32 -0.83 0.02 0.00 0.00 176.35 176.49 3irt s GLY 107 N -1.91 2.21 -0.02 -3.19 0.00 -1.26 -4.73 107.32 98.42 3irt s GLY 107 Ca 0.26 -1.94 0.03 0.00 0.00 0.00 0.00 44.72 43.07 3irt s GLY 107 CO 0.17 -1.77 -0.11 -1.36 0.00 0.00 0.00 173.10 170.03 3irt s PHE 108 N -2.52 1.04 0.93 1.90 0.08 -1.26 0.09 117.98 118.23 3irt s PHE 108 Ca 0.46 -0.22 -0.11 0.00 0.12 0.00 0.00 56.93 57.17 3irt s PHE 108 Cb -0.01 -0.69 0.15 0.00 -0.57 0.00 0.00 43.02 41.90 3irt s PHE 108 CO 0.26 -0.05 1.11 -1.83 -0.10 0.00 0.00 175.22 174.60 3irt s GLU 109 N -0.10 0.97 0.00 0.44 -1.05 -0.86 -4.87 118.70 113.23 3irt s GLU 109 Ca 0.02 1.22 -0.30 0.00 -0.15 0.00 0.00 54.97 55.75 3irt s GLU 109 Cb -0.06 -1.75 -0.07 0.00 -0.44 0.00 0.00 34.13 31.82 3irt s GLU 109 CO -0.00 -2.56 1.66 -0.51 0.95 0.00 0.00 175.26 174.80 3irt s ASP 110 N -2.93 6.64 0.00 0.83 -0.00 -1.26 -1.97 116.67 117.99 3irt s ASP 110 Ca 0.65 2.35 0.00 0.00 -0.00 0.00 0.00 52.55 55.55 3irt s ASP 110 Cb -0.21 -2.55 0.00 0.00 -0.00 0.00 0.00 42.92 40.16 3irt s ASP 110 CO 0.59 -0.90 0.00 0.61 -0.00 0.00 0.00 175.17 175.46 3irt n GLY 111 N 4.07 0.48 3.67 0.21 0.00 -1.26 -4.99 105.19 107.37 3irt n GLY 111 Ca 0.17 -0.89 -0.42 0.00 0.00 0.00 0.00 46.02 44.87 3irt n GLY 111 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3irt n SER 112 N 1.81 4.11 -0.28 1.61 2.88 -0.83 -4.88 113.62 118.04 3irt n SER 112 Ca 0.00 0.93 0.01 0.00 -1.33 0.00 0.00 58.87 58.48 3irt n SER 112 Cb 0.25 -1.53 0.13 0.00 -0.75 0.00 0.00 64.21 62.31 3irt n SER 112 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 3irt h VAL 113 N 5.35 0.98 0.23 2.46 2.07 -1.81 -2.02 116.25 123.51 3irt h VAL 113 Ca -0.49 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 66.73 3irt h VAL 113 Cb 1.24 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 3irt h VAL 113 CO 0.94 0.15 -0.11 0.25 0.02 0.00 0.00 177.57 178.82 3irt h LEU 114 N 0.83 -0.27 -0.82 2.57 5.85 -1.83 -2.82 115.31 118.84 3irt h LEU 114 Ca 0.36 -0.17 0.19 0.00 0.84 0.00 0.00 57.88 59.09 3irt h LEU 114 Cb 0.23 0.07 -0.12 0.00 0.37 0.00 0.00 40.66 41.20 3irt h LEU 114 CO -0.20 0.04 0.25 0.50 -0.34 0.00 0.00 178.44 178.69 3irt h LYS 115 N -0.58 0.29 -0.48 1.25 1.63 -1.72 0.35 116.57 117.30 3irt h LYS 115 Ca -0.03 -0.02 0.06 0.00 -0.85 0.00 0.00 60.65 59.81 3irt h LYS 115 Cb 0.42 -0.07 -0.05 0.00 -0.60 0.00 0.00 32.23 31.94 3irt h LYS 115 CO 0.05 0.19 0.19 0.37 -3.45 0.00 0.00 179.45 176.81 3irt h GLN 116 N 0.30 0.37 -0.12 1.90 4.15 -1.31 -2.15 115.11 118.26 3irt h GLN 116 Ca 0.48 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.87 3irt h GLN 116 Cb 0.89 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 28.49 3irt h GLN 116 CO -0.55 0.25 0.02 0.35 -1.93 0.00 0.00 178.83 176.97 3irt h PHE 117 N 0.39 0.20 -0.59 3.99 3.57 -0.14 -1.23 116.94 123.13 3irt h PHE 117 Ca 0.23 -0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.72 3irt h PHE 117 Cb 0.21 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.86 3irt h PHE 117 CO -0.14 0.37 0.37 -0.07 -2.23 0.00 0.00 178.31 176.61 3irt h LEU 118 N -0.03 0.63 -0.57 0.59 3.38 -0.89 -1.30 115.31 117.12 3irt h LEU 118 Ca 0.04 -0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.84 3irt h LEU 118 Cb 0.27 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3irt h LEU 118 CO 0.00 0.45 -0.60 0.77 0.09 0.00 0.00 178.44 179.15 3irt h SER 119 N 0.75 0.43 0.83 -0.43 4.64 -1.38 -1.03 113.55 117.36 3irt h SER 119 Ca 0.23 -0.24 -0.02 0.00 -0.47 0.00 0.00 61.79 61.29 3irt h SER 119 Cb -0.04 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 61.93 3irt h SER 119 CO -0.07 0.93 -0.07 -0.08 -0.87 0.00 0.00 176.83 176.66 3irt h GLU 120 N 0.28 0.00 -0.00 4.77 4.81 -0.78 -3.08 114.58 120.57 3irt h GLU 120 Ca -0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3irt h GLU 120 Cb 1.13 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.51 3irt h GLU 120 CO 0.10 0.07 -0.04 0.25 -0.73 0.00 0.00 179.01 178.67 3irt n THR 121 N -3.24 1.92 -0.06 0.32 -2.24 -0.53 -4.77 114.28 105.68 3irt n THR 121 Ca -0.00 -2.34 -0.10 0.00 -2.27 0.00 0.00 64.05 59.34 3irt n THR 121 Cb 0.31 -0.24 -0.03 0.00 -2.10 0.00 0.00 70.33 68.27 3irt n THR 121 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3irt h GLU 122 N 0.09 0.31 -2.55 -0.78 4.81 -1.10 -3.29 114.58 112.06 3irt h GLU 122 Ca 0.00 -0.02 -0.69 0.00 -0.13 0.00 0.00 59.36 58.52 3irt h GLU 122 Cb 1.00 -0.07 -0.36 0.00 0.63 0.00 0.00 28.75 29.96 3irt h GLU 122 CO 0.00 0.23 -0.00 1.63 -0.73 0.00 0.00 179.01 180.13 3irt n LYS 123 N -4.91 3.33 -3.75 1.92 4.01 -1.26 -5.01 118.16 112.49 3irt n LYS 123 Ca -0.03 -4.62 -0.10 0.00 -0.51 0.00 0.00 58.31 53.06 3irt n LYS 123 Cb 0.04 -2.37 -0.04 0.00 -0.51 0.00 0.00 35.03 32.15 3irt n LYS 123 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3irt s MET 124 N -2.55 1.34 0.68 1.97 0.23 -1.24 -5.16 119.30 114.57 3irt s MET 124 Ca 0.36 -0.88 -0.13 0.00 -1.03 0.00 0.00 55.69 54.01 3irt s MET 124 Cb 0.10 0.51 0.01 0.00 -1.53 0.00 0.00 34.83 33.91 3irt s MET 124 CO 0.03 -0.56 1.08 -1.54 -2.03 0.00 0.00 175.02 172.00 3irt s SER 125 N -2.88 5.21 0.34 -1.18 1.04 -1.26 -4.79 113.70 110.19 3irt s SER 125 Ca 0.09 1.80 0.03 0.00 0.48 0.00 0.00 55.95 58.35 3irt s SER 125 Cb -0.00 -2.52 0.64 0.00 0.10 0.00 0.00 66.02 64.23 3irt s SER 125 CO -0.03 -1.56 1.98 -0.65 0.98 0.00 0.00 173.24 173.96 3irt h PRO 126 N -0.37 0.84 -0.53 4.02 0.11 -1.97 0.23 132.00 134.34 3irt h PRO 126 Ca -0.45 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 65.51 3irt h PRO 126 Cb 1.23 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 3irt h PRO 126 CO 0.55 0.56 -0.07 0.93 -0.21 0.00 0.00 178.00 179.76 3irt h GLU 127 N 0.87 0.98 -0.46 1.05 3.07 -1.92 -1.97 114.58 116.20 3irt h GLU 127 Ca 0.28 -0.35 -0.11 0.00 -0.50 0.00 0.00 59.36 58.69 3irt h GLU 127 Cb 0.05 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 27.88 3irt h GLU 127 CO -0.08 1.02 -0.13 -0.44 -1.40 0.00 0.00 179.01 177.98 3irt h ASP 128 N 0.85 0.91 -0.83 1.42 3.32 -1.74 -2.84 116.42 117.52 3irt h ASP 128 Ca 0.14 -0.37 0.08 0.00 0.02 0.00 0.00 57.03 56.90 3irt h ASP 128 Cb 0.62 -0.25 -0.05 0.00 0.22 0.00 0.00 39.33 39.87 3irt h ASP 128 CO 0.04 1.07 0.54 0.03 -1.72 0.00 0.00 179.24 179.20 3irt h ARG 129 N 0.74 0.84 -0.12 3.56 3.08 -0.42 -0.25 114.38 121.82 3irt h ARG 129 Ca 0.12 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.09 3irt h ARG 129 Cb 0.68 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.53 3irt h ARG 129 CO 0.05 0.56 -0.03 0.00 -1.07 0.00 0.00 179.97 179.48 3irt h ALA 130 N 1.56 1.74 -0.03 0.04 0.00 -1.13 -1.60 119.26 119.85 3irt h ALA 130 Ca 0.37 -0.10 -0.21 0.00 0.00 0.00 0.00 54.91 54.96 3irt h ALA 130 Cb 0.30 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 3irt h ALA 130 CO -0.14 0.20 -0.87 0.87 0.00 0.00 0.00 179.25 179.31 3irt h LYS 131 N 0.16 0.40 -0.33 0.00 1.57 -0.97 -1.38 116.57 116.02 3irt h LYS 131 Ca 0.04 -0.40 -0.09 0.00 -1.87 0.00 0.00 60.65 58.34 3irt h LYS 131 Cb 0.17 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 3irt h LYS 131 CO 0.01 1.06 -0.16 0.00 -0.57 0.00 0.00 179.45 179.78 3irt h PHE 133 N 0.54 0.83 0.00 0.00 3.57 -1.17 -0.54 116.94 120.17 3irt h PHE 133 Ca 0.09 -0.17 0.00 0.00 3.53 0.00 0.00 57.97 61.42 3irt h PHE 133 Cb 0.59 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.12 3irt h PHE 133 CO 0.02 0.87 0.00 0.93 -2.23 0.00 0.00 178.31 177.90 3irt h GLU 134 N 0.56 0.00 0.00 1.11 5.08 -1.05 -2.44 114.58 117.84 3irt h GLU 134 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3irt h GLU 134 Cb 0.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 3irt h GLU 134 CO 0.03 0.00 -0.60 1.63 -1.00 0.00 0.00 179.01 179.08 3irt n LYS 135 N -2.93 2.94 -2.70 2.33 5.02 -1.04 -4.85 118.16 116.92 3irt n LYS 135 Ca -0.01 -0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.85 3irt n LYS 135 Cb 0.14 -1.08 -0.02 0.00 -0.02 0.00 0.00 35.03 34.06 3irt n LYS 135 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3irt s ASN 136 N -2.18 6.64 0.51 4.39 3.84 -0.24 -4.82 114.94 123.08 3irt s ASN 136 Ca 0.04 -1.91 0.15 0.00 0.21 0.00 0.00 52.86 51.35 3irt s ASN 136 Cb 0.09 -2.51 1.22 0.00 -0.55 0.00 0.00 41.25 39.50 3irt s ASN 136 CO 0.50 -1.26 2.13 -0.33 -2.79 0.00 0.00 177.10 175.35 3irt h GLU 137 N 8.94 0.07 0.62 0.43 4.39 -1.89 -2.86 114.58 124.28 3irt h GLU 137 Ca 0.24 -0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.91 3irt h GLU 137 Cb 0.98 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.61 3irt h GLU 137 CO 1.33 0.05 -0.35 0.00 -1.16 0.00 0.00 179.01 178.87 3irt h ALA 138 N 1.96 -0.91 -0.67 3.43 0.00 -1.97 0.16 119.26 121.27 3irt h ALA 138 Ca 0.03 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 3irt h ALA 138 Cb 0.01 0.42 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 3irt h ALA 138 CO -0.00 -1.02 0.25 0.82 0.00 0.00 0.00 179.25 179.29 3irt h ILE 139 N -0.90 1.24 -0.71 0.00 2.04 -1.92 -0.80 117.51 116.46 3irt h ILE 139 Ca -0.08 -0.79 0.02 0.00 1.00 0.00 0.00 64.86 65.02 3irt h ILE 139 Cb 0.72 0.51 -0.04 0.00 -0.74 0.00 0.00 36.82 37.27 3irt h ILE 139 CO 0.10 0.31 0.46 1.56 0.00 0.00 0.00 178.15 180.57 3irt h GLN 140 N 0.95 0.89 -0.61 2.37 4.20 -1.40 -0.28 115.11 121.23 3irt h GLN 140 Ca 0.22 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.86 3irt h GLN 140 Cb 0.24 -0.20 -0.03 0.00 0.30 0.00 0.00 27.48 27.79 3irt h GLN 140 CO -0.01 0.59 0.33 0.00 -0.67 0.00 0.00 178.83 179.06 3irt h ALA 141 N 1.29 0.78 -0.85 3.87 0.00 -0.11 0.22 119.26 124.45 3irt h ALA 141 Ca 0.28 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.12 3irt h ALA 141 Cb -0.03 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.47 3irt h ALA 141 CO -0.09 0.30 0.56 0.00 0.00 0.00 0.00 179.25 180.02 3irt h ALA 142 N 1.16 1.46 0.59 0.00 0.00 -0.56 0.78 119.26 122.69 3irt h ALA 142 Ca 0.21 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 3irt h ALA 142 Cb 0.05 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 17.54 3irt h ALA 142 CO -0.03 0.45 -0.28 1.25 0.00 0.00 0.00 179.25 180.64 3irt h HIS 143 N 1.07 -0.73 -0.08 0.00 6.17 -0.45 -2.79 115.15 118.34 3irt h HIS 143 Ca 0.34 -0.02 0.02 0.00 0.71 0.00 0.00 60.37 61.42 3irt h HIS 143 Cb 0.02 0.24 -0.00 0.00 2.52 0.00 0.00 27.41 30.19 3irt h HIS 143 CO -0.00 -0.41 0.06 -0.44 0.71 0.00 0.00 177.93 177.84 3irt h ASP 144 N -1.14 0.01 -0.22 3.26 3.45 -0.83 0.18 116.42 121.13 3irt h ASP 144 Ca -0.08 -0.00 -0.06 0.00 0.43 0.00 0.00 57.03 57.32 3irt h ASP 144 Cb 0.65 -0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.41 3irt h ASP 144 CO 0.13 0.00 -0.11 0.00 -1.57 0.00 0.00 179.24 177.70 3irt h ALA 145 N 1.96 0.31 -0.02 3.45 0.00 -0.87 -3.02 119.26 121.07 3irt h ALA 145 Ca 0.04 -0.30 -0.20 0.00 0.00 0.00 0.00 54.91 54.45 3irt h ALA 145 Cb 0.14 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 3irt h ALA 145 CO -0.00 0.16 -0.85 0.28 0.00 0.00 0.00 179.25 178.83 3irt h VAL 146 N 0.17 1.42 -0.69 0.00 2.07 -1.09 -3.26 116.25 114.88 3irt h VAL 146 Ca 0.05 -2.40 0.07 0.00 0.82 0.00 0.00 66.70 65.24 3irt h VAL 146 Cb 0.60 2.34 -0.06 0.00 -1.52 0.00 0.00 31.29 32.65 3irt h VAL 146 CO 0.03 0.71 0.37 0.00 0.02 0.00 0.00 177.57 178.71 3irt h ALA 147 N 0.88 0.93 0.00 1.67 0.00 -0.68 -1.87 119.26 120.20 3irt h ALA 147 Ca -0.05 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3irt h ALA 147 Cb 1.47 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.16 3irt h ALA 147 CO 0.14 0.02 0.00 1.04 0.00 0.00 0.00 179.25 180.45 3irt n GLN 148 N -4.81 0.17 0.00 0.00 6.02 -1.14 -2.27 117.38 115.35 3irt n GLN 148 Ca 0.09 0.18 0.12 0.00 -0.01 0.00 0.00 57.00 57.38 3irt n GLN 148 Cb 0.21 -1.71 0.61 0.00 1.02 0.00 0.00 30.24 30.37 3irt n GLN 148 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 3irt n GLU 149 N -2.01 0.37 -2.01 -1.09 1.02 -0.70 -4.81 120.64 111.40 3irt n GLU 149 Ca 0.05 0.06 -0.42 0.00 -0.02 0.00 0.00 57.16 56.83 3irt n GLU 149 Cb 0.37 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.26 3irt n GLU 149 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3irt s GLY 150 N -2.54 1.66 0.41 0.62 0.00 -0.96 -4.90 107.32 101.61 3irt s GLY 150 Ca 0.24 1.17 0.11 0.00 0.00 0.00 0.00 44.72 46.24 3irt s GLY 150 CO 0.36 2.71 1.95 -1.61 0.00 0.00 0.00 173.10 176.51 3irt h GLN 151 N 7.78 0.17 0.00 2.90 4.15 -1.90 -3.45 115.11 124.76 3irt h GLN 151 Ca -0.42 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 58.97 3irt h GLN 151 Cb 1.20 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.86 3irt h GLN 151 CO 0.91 0.31 0.00 0.00 -1.93 0.00 0.00 178.83 178.12 3irt n ARG 153 N -0.02 0.00 -1.86 0.00 1.74 -1.26 -5.02 116.66 110.24 3irt n ARG 153 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3irt n ARG 153 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 3irt n ARG 153 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3irt n VAL 154 N 0.00-10.43 -2.74 1.55 0.31 -1.26 -4.85 118.33 100.91 3irt n VAL 154 Ca 0.00 2.39 -0.05 0.00 -0.01 0.00 0.00 64.34 66.67 3irt n VAL 154 Cb 0.00 -5.03 0.03 0.00 -0.91 0.00 0.00 33.84 27.93 3irt n VAL 154 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3irt n ASP 155 N 1.36 -2.83 -1.41 4.52 2.03 -1.26 -4.99 116.55 113.96 3irt n ASP 155 Ca 0.00 -2.71 -0.06 0.00 0.52 0.00 0.00 54.79 52.54 3irt n ASP 155 Cb 0.00 1.57 0.11 0.00 -0.72 0.00 0.00 41.12 42.08 3irt n ASP 155 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 3irt n ASP 156 N 2.32 3.26 -1.31 1.67 5.75 -1.26 -4.84 116.55 122.14 3irt n ASP 156 Ca 0.13 -2.62 -0.13 0.00 -0.01 0.00 0.00 54.79 52.16 3irt n ASP 156 Cb 0.61 -0.63 -0.02 0.00 -1.03 0.00 0.00 41.12 40.05 3irt n ASP 156 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3irt n LYS 157 N -0.07 -0.97 -2.17 0.11 4.76 -1.26 -4.96 118.16 113.61 3irt n LYS 157 Ca 0.22 0.69 -0.42 0.00 -2.87 0.00 0.00 58.31 55.93 3irt n LYS 157 Cb 0.91 -4.85 -0.03 0.00 -1.84 0.00 0.00 35.03 29.23 3irt n LYS 157 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3irt s VAL 158 N -2.59 3.74 -0.99 -0.18 1.01 -1.26 -4.90 120.40 115.24 3irt s VAL 158 Ca 0.00 1.02 -0.21 0.00 0.00 0.00 0.00 61.98 62.78 3irt s VAL 158 Cb 0.00 -3.65 -0.11 0.00 0.00 0.00 0.00 36.38 32.62 3irt s VAL 158 CO 0.00 -0.05 1.94 -3.20 0.00 0.00 0.00 175.10 173.79 3irt n ASN 159 N 6.23 2.95 -4.81 3.32 5.15 -1.26 -4.94 115.26 121.90 3irt n ASN 159 Ca 0.15 -2.71 -0.34 0.00 -0.60 0.00 0.00 54.58 51.08 3irt n ASN 159 Cb 0.43 -1.39 -0.05 0.00 -0.53 0.00 0.00 39.78 38.24 3irt n ASN 159 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 3irt s PHE 160 N 6.78 3.20 -0.07 1.20 0.08 -1.26 -1.81 117.98 126.10 3irt s PHE 160 Ca 0.60 1.61 0.02 0.00 0.12 0.00 0.00 56.93 59.28 3irt s PHE 160 Cb 0.09 -2.96 0.01 0.00 -0.57 0.00 0.00 43.02 39.59 3irt s PHE 160 CO 0.11 -0.41 -0.14 -1.01 -0.10 0.00 0.00 175.22 173.66 3irt s HIS 161 N -2.03 1.67 -0.45 0.36 3.76 0.28 -4.90 115.29 113.97 3irt s HIS 161 Ca 0.63 -0.64 -0.10 0.00 -0.15 0.00 0.00 55.06 54.79 3irt s HIS 161 Cb -0.13 -1.20 0.10 0.00 1.11 0.00 0.00 32.58 32.46 3irt s HIS 161 CO 0.17 -0.31 0.32 0.12 -0.85 0.00 0.00 174.74 174.19 3irt s PHE 162 N 0.64 3.35 -0.24 1.40 5.36 -1.26 -1.29 117.98 125.94 3irt s PHE 162 Ca -0.15 -1.56 -0.06 0.00 -0.96 0.00 0.00 56.93 54.20 3irt s PHE 162 Cb -0.16 -3.23 -0.02 0.00 -0.34 0.00 0.00 43.02 39.27 3irt s PHE 162 CO 0.04 -0.91 0.04 0.42 -1.46 0.00 0.00 175.22 173.35 3irt s ILE 163 N 1.44 4.07 -0.05 3.12 1.01 0.19 -4.73 121.20 126.26 3irt s ILE 163 Ca 0.04 -0.26 -0.14 0.00 0.00 0.00 0.00 60.65 60.30 3irt s ILE 163 Cb -0.25 -2.89 -0.05 0.00 0.01 0.00 0.00 42.46 39.28 3irt s ILE 163 CO 0.02 0.37 0.36 -0.22 0.00 0.00 0.00 174.94 175.47 3irt s LEU 164 N 1.49 4.42 -0.08 2.97 2.96 -0.12 -0.28 118.68 130.03 3irt s LEU 164 Ca 0.06 0.83 0.04 0.00 -0.22 0.00 0.00 54.13 54.83 3irt s LEU 164 Cb -0.15 -2.50 -0.00 0.00 0.50 0.00 0.00 46.19 44.05 3irt s LEU 164 CO 0.02 0.28 -0.22 -0.36 -1.32 0.00 0.00 176.35 174.75 3irt s PHE 165 N -0.74 2.31 -0.01 5.38 0.40 0.93 -0.49 117.98 125.76 3irt s PHE 165 Ca 0.22 -0.87 -0.29 0.00 -0.60 0.00 0.00 56.93 55.39 3irt s PHE 165 Cb -0.15 -1.55 0.10 0.00 0.51 0.00 0.00 43.02 41.93 3irt s PHE 165 CO 0.11 -0.34 0.96 0.54 0.70 0.00 0.00 175.22 177.19 3irt s ASN 166 N 0.26 -0.29 -0.05 1.36 4.22 -0.94 -1.14 114.94 118.35 3irt s ASN 166 Ca -0.14 -0.06 -0.25 0.00 -2.14 0.00 0.00 52.86 50.27 3irt s ASN 166 Cb -0.16 0.35 -0.04 0.00 1.28 0.00 0.00 41.25 42.68 3irt s ASN 166 CO 0.07 -0.59 0.76 0.20 -2.04 0.00 0.00 177.10 175.50 3irt s ASN 167 N -2.51 7.07 -0.06 3.54 -0.87 -1.26 -1.19 114.94 119.66 3irt s ASN 167 Ca 0.07 1.29 -0.02 0.00 -1.57 0.00 0.00 52.86 52.62 3irt s ASN 167 Cb -0.01 -2.44 0.03 0.00 -0.02 0.00 0.00 41.25 38.81 3irt s ASN 167 CO -0.07 -0.15 0.06 -0.69 -2.57 0.00 0.00 177.10 173.69 3irt s VAL 168 N 0.85 -0.07 -1.15 1.60 1.01 -0.20 -4.86 120.40 117.58 3irt s VAL 168 Ca 0.41 0.33 -0.07 0.00 0.00 0.00 0.00 61.98 62.65 3irt s VAL 168 Cb -0.18 -0.23 0.01 0.00 0.00 0.00 0.00 36.38 35.97 3irt s VAL 168 CO 0.20 0.13 1.00 -0.67 0.00 0.00 0.00 175.10 175.76 3irt n ASP 169 N 5.29 -5.47 -1.20 3.32 2.03 -1.26 -2.70 116.55 116.56 3irt n ASP 169 Ca -0.04 -0.47 -0.12 0.00 0.52 0.00 0.00 54.79 54.68 3irt n ASP 169 Cb 0.50 -4.39 -0.03 0.00 -0.72 0.00 0.00 41.12 36.49 3irt n ASP 169 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3irt n GLY 170 N -1.74 0.51 3.03 0.27 0.00 -1.26 -5.01 105.19 100.99 3irt n GLY 170 Ca -0.01 -0.41 -0.11 0.00 0.00 0.00 0.00 46.02 45.49 3irt n GLY 170 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3irt s HIS 171 N -2.54 0.51 -0.19 1.61 3.76 -1.10 -2.38 115.29 114.96 3irt s HIS 171 Ca 0.00 -0.53 -0.21 0.00 -0.15 0.00 0.00 55.06 54.17 3irt s HIS 171 Cb 0.00 -0.32 -0.02 0.00 1.11 0.00 0.00 32.58 33.35 3irt s HIS 171 CO 0.00 -0.13 0.66 -1.17 -0.85 0.00 0.00 174.74 173.25 3irt s LEU 172 N -1.58 4.15 -0.01 0.89 2.96 -0.45 -1.03 118.68 123.62 3irt s LEU 172 Ca -0.12 0.89 0.06 0.00 -0.22 0.00 0.00 54.13 54.74 3irt s LEU 172 Cb -0.09 -2.94 -0.03 0.00 0.50 0.00 0.00 46.19 43.63 3irt s LEU 172 CO -0.00 -0.28 -0.18 -0.31 -1.32 0.00 0.00 176.35 174.25 3irt s TYR 173 N 1.90 2.58 -0.33 5.38 2.02 -0.33 -0.21 117.35 128.36 3irt s TYR 173 Ca 0.30 -0.25 -0.07 0.00 -0.37 0.00 0.00 57.07 56.68 3irt s TYR 173 Cb -0.16 -1.55 0.03 0.00 -0.40 0.00 0.00 41.96 39.88 3irt s TYR 173 CO 0.11 0.16 0.11 -2.00 -1.57 0.00 0.00 175.55 172.36 3irt s GLU 174 N -0.96 2.82 -0.20 -0.62 2.12 0.34 -2.22 118.70 119.98 3irt s GLU 174 Ca 0.12 -1.05 -0.06 0.00 0.36 0.00 0.00 54.97 54.35 3irt s GLU 174 Cb -0.10 -3.47 -0.03 0.00 0.26 0.00 0.00 34.13 30.79 3irt s GLU 174 CO 0.02 -0.59 0.02 -0.51 -0.54 0.00 0.00 175.26 173.65 3irt s LEU 175 N 1.46 3.37 -0.14 2.70 1.02 0.36 -1.17 118.68 126.27 3irt s LEU 175 Ca 0.00 -0.15 -0.04 0.00 0.02 0.00 0.00 54.13 53.96 3irt s LEU 175 Cb -0.19 -1.86 0.06 0.00 0.02 0.00 0.00 46.19 44.22 3irt s LEU 175 CO 0.03 0.08 0.10 -0.62 0.02 0.00 0.00 176.35 175.96 3irt s ASP 176 N 0.93 1.82 0.00 2.29 3.68 -1.26 -0.95 116.67 123.18 3irt s ASP 176 Ca 0.02 -0.33 0.03 0.00 2.13 0.00 0.00 52.55 54.40 3irt s ASP 176 Cb -0.14 -0.11 0.14 0.00 -1.45 0.00 0.00 42.92 41.36 3irt s ASP 176 CO 0.02 -0.32 1.03 0.61 0.13 0.00 0.00 175.17 176.65 3irt n GLY 177 N 5.29 -0.53 0.12 2.66 0.00 -1.26 -0.53 105.19 110.95 3irt n GLY 177 Ca -0.06 -0.01 0.03 0.00 0.00 0.00 0.00 46.02 45.98 3irt n GLY 177 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3irt h ARG 178 N 0.00 0.00 -6.69 1.61 2.47 -1.90 0.18 114.38 110.04 3irt h ARG 178 Ca 0.00 0.00 -0.50 0.00 -1.26 0.00 0.00 59.98 58.22 3irt h ARG 178 Cb 0.04 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.37 3irt h ARG 178 CO 0.00 0.37 -0.01 -1.64 0.56 0.00 0.00 179.97 179.26 3irt s MET 179 N -2.99 3.67 0.44 0.04 -1.94 0.31 -4.98 119.30 113.84 3irt s MET 179 Ca 0.01 0.19 0.21 0.00 -1.71 0.00 0.00 55.69 54.39 3irt s MET 179 Cb 0.08 -2.51 1.00 0.00 2.01 0.00 0.00 34.83 35.41 3irt s MET 179 CO 0.77 0.05 1.89 -1.35 -0.01 0.00 0.00 175.02 176.37 3irt h PRO 180 N 1.24 0.00 -3.85 2.03 0.11 -1.88 -3.46 132.00 126.19 3irt h PRO 180 Ca -0.47 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.54 3irt h PRO 180 Cb 1.19 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.17 3irt h PRO 180 CO 0.64 0.26 -0.34 -0.06 -0.21 0.00 0.00 178.00 178.29 3irt s PHE 181 N -3.97 0.28 0.74 0.65 0.40 -1.26 -5.05 117.98 109.76 3irt s PHE 181 Ca -0.02 -0.67 -0.12 0.00 -0.60 0.00 0.00 56.93 55.52 3irt s PHE 181 Cb 0.12 -0.06 0.04 0.00 0.51 0.00 0.00 43.02 43.64 3irt s PHE 181 CO 0.65 -0.64 1.10 -2.14 0.70 0.00 0.00 175.22 174.90 3irt s PRO 182 N -3.92 2.40 -0.13 0.24 0.02 -1.26 -4.71 135.00 127.65 3irt s PRO 182 Ca 0.11 1.26 0.01 0.00 0.02 0.00 0.00 61.00 62.41 3irt s PRO 182 Cb 0.04 -1.91 -0.00 0.00 0.02 0.00 0.00 34.50 32.65 3irt s PRO 182 CO -0.05 -1.54 -0.18 0.08 -0.33 0.00 0.00 177.00 174.98 3irt s VAL 183 N -2.70 2.56 -0.28 3.83 1.01 -0.32 -4.89 120.40 119.62 3irt s VAL 183 Ca 0.63 -0.83 -0.19 0.00 0.00 0.00 0.00 61.98 61.60 3irt s VAL 183 Cb -0.19 -2.04 -0.02 0.00 0.00 0.00 0.00 36.38 34.13 3irt s VAL 183 CO 0.51 0.54 0.54 0.21 0.00 0.00 0.00 175.10 176.90 3irt s ASN 184 N 0.50 6.44 -0.49 3.32 3.84 -1.26 -0.51 114.94 126.79 3irt s ASN 184 Ca -0.12 0.47 0.03 0.00 0.21 0.00 0.00 52.86 53.45 3irt s ASN 184 Cb -0.16 -2.29 0.52 0.00 -0.55 0.00 0.00 41.25 38.76 3irt s ASN 184 CO 0.05 -0.35 1.78 1.41 -2.79 0.00 0.00 177.10 177.20 3irt n HIS 185 N 5.64 2.74 -2.28 0.43 8.25 0.71 -5.02 115.22 125.68 3irt n HIS 185 Ca -0.03 -2.35 0.03 0.00 -0.26 0.00 0.00 57.72 55.10 3irt n HIS 185 Cb 0.49 -0.99 -0.01 0.00 1.12 0.00 0.00 29.99 30.61 3irt n HIS 185 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3irt n GLY 186 N -0.99 -2.00 3.75 -1.41 0.00 -1.26 -4.62 105.19 98.67 3irt n GLY 186 Ca 0.54 -1.38 -0.36 0.00 0.00 0.00 0.00 46.02 44.81 3irt n GLY 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3irt s ALA 187 N -1.28 2.54 0.06 4.61 0.00 -1.26 -1.34 121.76 125.09 3irt s ALA 187 Ca 0.00 1.07 -0.26 0.00 0.00 0.00 0.00 51.96 52.76 3irt s ALA 187 Cb 0.00 -3.48 0.08 0.00 0.00 0.00 0.00 23.12 19.72 3irt s ALA 187 CO 0.00 -1.24 0.69 0.45 0.00 0.00 0.00 175.76 175.66 3irt s SER 188 N -1.51 -0.55 0.06 0.00 0.15 -1.00 -4.68 113.70 106.17 3irt s SER 188 Ca 0.78 0.21 -0.01 0.00 0.70 0.00 0.00 55.95 57.63 3irt s SER 188 Cb -0.32 0.53 -0.04 0.00 -1.71 0.00 0.00 66.02 64.48 3irt s SER 188 CO 0.35 -0.78 0.22 -0.44 1.20 0.00 0.00 173.24 173.79 3irt s SER 189 N -2.21 6.38 0.00 5.45 0.01 -1.26 -4.34 113.70 117.73 3irt s SER 189 Ca -0.02 0.32 0.00 0.00 1.31 0.00 0.00 55.95 57.56 3irt s SER 189 Cb -0.01 -1.98 0.00 0.00 0.21 0.00 0.00 66.02 64.24 3irt s SER 189 CO -0.06 0.17 0.73 -0.62 0.41 0.00 0.00 173.24 173.88 3irt n GLU 190 N 0.38 0.79 0.00 12.44 4.71 -1.26 -2.47 120.64 135.23 3irt n GLU 190 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.09 3irt n GLU 190 Cb 0.51 -1.15 0.00 0.00 -1.01 0.00 0.00 31.44 29.79 3irt n GLU 190 CO 0.00 0.00 0.00 -0.40 0.09 0.00 0.00 177.13 176.82 3irt n ASP 191 N 0.53 0.00 -1.50 1.62 5.68 -1.26 -4.74 116.55 116.87 3irt n ASP 191 Ca 0.00 0.00 0.09 0.00 -0.50 0.00 0.00 54.79 54.38 3irt n ASP 191 Cb 0.37 0.00 0.34 0.00 -1.14 0.00 0.00 41.12 40.68 3irt n ASP 191 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3irt n THR 192 N -0.38 1.63 -0.04 2.12 -2.24 -1.09 -4.58 114.28 109.70 3irt n THR 192 Ca 0.00 -1.09 -0.08 0.00 -2.27 0.00 0.00 64.05 60.61 3irt n THR 192 Cb 0.00 0.14 -0.02 0.00 -2.10 0.00 0.00 70.33 68.35 3irt n THR 192 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3irt h LEU 193 N 3.91 -0.70 -0.57 3.22 6.46 -1.78 0.39 115.31 126.24 3irt h LEU 193 Ca 0.00 0.13 0.04 0.00 -0.12 0.00 0.00 57.88 57.93 3irt h LEU 193 Cb 1.33 0.34 -0.04 0.00 -0.73 0.00 0.00 40.66 41.56 3irt h LEU 193 CO 0.20 -0.26 0.33 0.25 -0.62 0.00 0.00 178.44 178.34 3irt h LEU 194 N -0.23 0.51 0.15 2.25 5.85 -1.84 0.87 115.31 122.88 3irt h LEU 194 Ca 0.13 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 3irt h LEU 194 Cb 0.43 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.37 3irt h LEU 194 CO -0.36 0.35 -0.07 0.50 -0.34 0.00 0.00 178.44 178.52 3irt h LYS 195 N 0.64 -0.20 -0.78 1.25 3.64 -1.75 -0.27 116.57 119.09 3irt h LYS 195 Ca 0.24 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.65 3irt h LYS 195 Cb 0.08 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 31.90 3irt h LYS 195 CO -0.13 0.07 0.51 -0.44 -2.27 0.00 0.00 179.45 177.19 3irt h ASP 196 N -0.46 0.88 0.08 4.20 3.45 -0.73 -1.78 116.42 122.06 3irt h ASP 196 Ca -0.02 -0.02 -0.00 0.00 0.43 0.00 0.00 57.03 57.42 3irt h ASP 196 Cb 0.36 -0.21 0.00 0.00 -0.56 0.00 0.00 39.33 38.92 3irt h ASP 196 CO 0.03 0.63 -0.04 0.00 -1.57 0.00 0.00 179.24 178.30 3irt h ALA 197 N 1.30 -0.11 -0.91 3.45 0.00 -0.80 -2.98 119.26 119.20 3irt h ALA 197 Ca 0.29 -0.14 0.16 0.00 0.00 0.00 0.00 54.91 55.22 3irt h ALA 197 Cb -0.09 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.67 3irt h ALA 197 CO -0.08 -0.43 0.59 0.00 0.00 0.00 0.00 179.25 179.33 3irt h ALA 198 N 0.52 1.88 -0.72 0.00 0.00 -0.79 -0.28 119.26 119.87 3irt h ALA 198 Ca -0.01 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 3irt h ALA 198 Cb 0.32 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 3irt h ALA 198 CO 0.02 -0.15 0.27 -0.22 0.00 0.00 0.00 179.25 179.16 3irt h LYS 199 N 0.65 1.08 -0.19 0.00 3.64 -1.19 -1.42 116.57 119.14 3irt h LYS 199 Ca 0.47 -0.21 -0.13 0.00 -1.27 0.00 0.00 60.65 59.51 3irt h LYS 199 Cb 0.84 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.48 3irt h LYS 199 CO -0.23 0.90 -0.45 0.28 -2.27 0.00 0.00 179.45 177.69 3irt h VAL 200 N 1.03 1.31 -0.74 2.00 2.07 -0.95 -2.16 116.25 118.81 3irt h VAL 200 Ca 0.24 -1.63 -0.02 0.00 0.82 0.00 0.00 66.70 66.10 3irt h VAL 200 Cb 0.23 1.65 -0.04 0.00 -1.52 0.00 0.00 31.29 31.62 3irt h VAL 200 CO -0.02 0.51 0.37 0.00 0.02 0.00 0.00 177.57 178.45 3irt h ARG 202 N 1.05 0.25 -0.83 0.00 3.08 -0.95 0.35 114.38 117.32 3irt h ARG 202 Ca 0.26 -0.06 0.06 0.00 0.07 0.00 0.00 59.98 60.31 3irt h ARG 202 Cb 0.09 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.05 3irt h ARG 202 CO -0.04 0.40 0.52 0.93 -1.07 0.00 0.00 179.97 180.71 3irt h GLU 203 N 0.05 0.92 0.77 0.04 5.08 -1.13 0.54 114.58 120.86 3irt h GLU 203 Ca 0.05 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 3irt h GLU 203 Cb 0.26 -0.21 0.01 0.00 0.50 0.00 0.00 28.75 29.31 3irt h GLU 203 CO 0.00 0.61 -0.37 0.35 -1.00 0.00 0.00 179.01 178.60 3irt h PHE 204 N 0.95 -0.96 -0.08 4.33 3.57 -0.43 -3.30 116.94 121.02 3irt h PHE 204 Ca 0.36 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.86 3irt h PHE 204 Cb 0.14 0.32 -0.03 0.00 2.79 0.00 0.00 35.95 39.17 3irt h PHE 204 CO -0.04 -0.60 -0.10 1.79 -2.23 0.00 0.00 178.31 177.14 3irt h THR 205 N -1.13 0.73 0.00 4.41 1.35 -0.18 -2.96 112.91 115.13 3irt h THR 205 Ca -0.11 0.00 -0.40 0.00 -0.55 0.00 0.00 66.41 65.36 3irt h THR 205 Cb 0.79 0.73 -0.02 0.00 -1.73 0.00 0.00 68.15 67.92 3irt h THR 205 CO 0.17 0.00 1.56 -0.62 -0.25 0.00 0.00 175.52 176.39 3irt n GLU 206 N -5.23 2.70 0.00 4.72 1.02 0.17 -2.41 120.64 121.61 3irt n GLU 206 Ca -0.04 -1.51 0.00 0.00 -0.02 0.00 0.00 57.16 55.59 3irt n GLU 206 Cb 0.15 -2.35 0.00 0.00 -0.02 0.00 0.00 31.44 29.23 3irt n GLU 206 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 3irt n ARG 207 N 3.04 1.81 -3.22 3.49 0.00 -1.12 -4.81 116.66 115.86 3irt n ARG 207 Ca 0.58 0.00 -0.29 0.00 -0.00 0.00 0.00 57.85 58.13 3irt n ARG 207 Cb 0.58 -0.51 -0.06 0.00 0.00 0.00 0.00 32.46 32.47 3irt n ARG 207 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 3irt n GLU 208 N -0.38 3.06 -0.15 -0.14 2.13 -1.01 -4.99 120.64 119.16 3irt n GLU 208 Ca 0.00 -4.72 0.00 0.00 0.66 0.00 0.00 57.16 53.10 3irt n GLU 208 Cb 0.01 -2.29 0.00 0.00 0.27 0.00 0.00 31.44 29.43 3irt n GLU 208 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3irt n GLN 209 N 0.56 0.46 0.00 5.31 10.64 -1.26 -2.63 117.38 130.45 3irt n GLN 209 Ca 0.31 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.48 3irt n GLN 209 Cb 0.39 -1.27 -0.00 0.00 -0.86 0.00 0.00 30.24 28.50 3irt n GLN 209 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3irt n GLY 210 N 1.42 0.27 3.72 2.61 0.00 -1.26 -5.06 105.19 106.88 3irt n GLY 210 Ca 0.00 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 3irt n GLY 210 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3irt s GLU 211 N -0.75 4.52 -0.00 1.61 2.56 -1.08 -4.92 118.70 120.64 3irt s GLU 211 Ca 0.00 1.19 0.03 0.00 0.00 0.00 0.00 54.97 56.19 3irt s GLU 211 Cb 0.00 -3.44 -0.04 0.00 2.00 0.00 0.00 34.13 32.65 3irt s GLU 211 CO 0.01 0.05 0.09 1.33 -0.56 0.00 0.00 175.26 176.18 3irt n VAL 212 N 3.64 0.00 -2.76 3.70 0.24 -1.26 -4.89 118.33 117.00 3irt n VAL 212 Ca 0.02 -0.21 -0.42 0.00 -2.04 0.00 0.00 64.34 61.69 3irt n VAL 212 Cb 0.51 0.64 -0.03 0.00 -1.47 0.00 0.00 33.84 33.49 3irt n VAL 212 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3irt s ARG 213 N -1.87 3.40 -0.08 7.34 0.52 -1.26 -4.95 118.95 122.05 3irt s ARG 213 Ca -0.00 -1.11 -0.30 0.00 -0.52 0.00 0.00 55.73 53.80 3irt s ARG 213 Cb 0.02 -4.72 0.10 0.00 0.52 0.00 0.00 34.95 30.86 3irt s ARG 213 CO 0.13 -1.95 0.83 -0.59 0.02 0.00 0.00 175.30 173.73 3irt s PHE 214 N 4.13 -0.50 0.24 -0.53 -0.12 -1.26 -4.21 117.98 115.71 3irt s PHE 214 Ca 0.33 0.79 -0.16 0.00 -0.05 0.00 0.00 56.93 57.84 3irt s PHE 214 Cb -0.07 0.45 0.01 0.00 -0.63 0.00 0.00 43.02 42.78 3irt s PHE 214 CO -0.00 -0.51 0.55 -1.54 -0.05 0.00 0.00 175.22 173.67 3irt s SER 215 N -1.37 -0.19 -0.02 1.98 1.04 -0.81 -5.02 113.70 109.31 3irt s SER 215 Ca -0.05 -0.69 -0.10 0.00 0.48 0.00 0.00 55.95 55.59 3irt s SER 215 Cb -0.00 0.62 0.01 0.00 0.10 0.00 0.00 66.02 66.75 3irt s SER 215 CO 0.03 -1.16 0.22 0.00 0.98 0.00 0.00 173.24 173.31 3irt s ALA 216 N -3.94 -0.54 0.05 5.32 0.00 -1.26 -0.40 121.76 121.00 3irt s ALA 216 Ca 0.15 0.15 -0.01 0.00 0.00 0.00 0.00 51.96 52.25 3irt s ALA 216 Cb -0.02 0.03 -0.04 0.00 0.00 0.00 0.00 23.12 23.09 3irt s ALA 216 CO 0.04 -0.22 -0.02 0.14 0.00 0.00 0.00 175.76 175.70 3irt s VAL 217 N -1.15 0.21 0.19 0.00 -7.23 -0.80 -1.43 120.40 110.19 3irt s VAL 217 Ca -0.12 -1.75 0.07 0.00 -1.81 0.00 0.00 61.98 58.37 3irt s VAL 217 Cb -0.06 -1.46 -0.05 0.00 0.56 0.00 0.00 36.38 35.38 3irt s VAL 217 CO 0.02 -0.97 -0.13 0.00 -0.31 0.00 0.00 175.10 173.71 3irt s ALA 218 N -3.80 1.88 -0.25 1.32 0.00 0.10 -1.14 121.76 119.88 3irt s ALA 218 Ca 0.06 -1.62 -0.03 0.00 0.00 0.00 0.00 51.96 50.37 3irt s ALA 218 Cb 0.07 -0.05 0.02 0.00 0.00 0.00 0.00 23.12 23.15 3irt s ALA 218 CO -0.10 0.03 -0.05 -1.17 0.00 0.00 0.00 175.76 174.48 3irt s LEU 219 N -3.28 3.17 0.11 0.00 2.96 -0.20 -0.75 118.68 120.68 3irt s LEU 219 Ca 0.21 -0.75 -0.15 0.00 -0.22 0.00 0.00 54.13 53.23 3irt s LEU 219 Cb 0.00 -1.70 0.03 0.00 0.50 0.00 0.00 46.19 45.02 3irt s LEU 219 CO 0.05 -0.11 0.36 0.00 -1.32 0.00 0.00 176.35 175.33 3irt s LYS 221 N -3.62 3.98 -0.32 0.00 1.02 -1.20 -1.60 119.74 118.01 3irt s LYS 221 Ca 0.02 2.33 -0.36 0.00 0.02 0.00 0.00 55.97 57.99 3irt s LYS 221 Cb 0.02 -4.13 -0.12 0.00 -0.52 0.00 0.00 37.83 33.08 3irt s LYS 221 CO -0.10 -1.12 2.12 0.00 -0.92 0.00 0.00 175.35 175.33 3irt n ALA 222 N 8.09 0.95 -1.60 5.17 0.00 -0.56 -4.72 120.51 127.84 3irt n ALA 222 Ca 0.20 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.66 3irt n ALA 222 Cb 0.42 -2.52 0.00 0.00 0.00 0.00 0.00 19.45 17.36 3irt n ALA 222 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50