#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3eej s VAL 4 N 0.00 3.43 0.29 3.15 1.01 -1.26 -5.01 120.40 122.02 3eej s VAL 4 Ca 0.00 1.04 -0.29 0.00 0.00 0.00 0.00 61.98 62.73 3eej s VAL 4 Cb 0.00 -3.67 -0.10 0.00 0.00 0.00 0.00 36.38 32.61 3eej s VAL 4 CO 0.00 0.09 1.32 -2.84 0.00 0.00 0.00 175.10 173.67 3eej s PRO 5 N 0.99 4.36 -0.26 2.72 0.02 -1.26 -4.84 135.00 136.73 3eej s PRO 5 Ca 0.63 2.19 -0.08 0.00 0.02 0.00 0.00 61.00 63.75 3eej s PRO 5 Cb -0.35 -3.10 -0.03 0.00 0.02 0.00 0.00 34.50 31.03 3eej s PRO 5 CO 0.31 -0.22 0.11 0.08 -0.33 0.00 0.00 177.00 176.95 3eej s VAL 6 N -0.75 4.61 -0.10 3.83 1.01 -1.26 -1.85 120.40 125.88 3eej s VAL 6 Ca 0.52 -0.09 0.01 0.00 0.00 0.00 0.00 61.98 62.42 3eej s VAL 6 Cb -0.39 -3.18 0.02 0.00 0.00 0.00 0.00 36.38 32.83 3eej s VAL 6 CO 0.48 0.30 -0.12 -0.69 0.00 0.00 0.00 175.10 175.07 3eej s VAL 7 N 1.66 1.30 0.13 2.92 1.01 0.46 0.28 120.40 128.15 3eej s VAL 7 Ca 0.06 -0.51 -0.24 0.00 0.00 0.00 0.00 61.98 61.29 3eej s VAL 7 Cb -0.15 -1.22 -0.07 0.00 0.00 0.00 0.00 36.38 34.94 3eej s VAL 7 CO 0.06 0.40 0.73 -0.83 0.00 0.00 0.00 175.10 175.46 3eej s GLY 8 N 1.14 2.85 -0.03 4.51 0.00 -0.59 -0.75 107.32 114.44 3eej s GLY 8 Ca -0.05 0.28 0.01 0.00 0.00 0.00 0.00 44.72 44.97 3eej s GLY 8 CO -0.03 0.81 -0.04 -1.50 0.00 0.00 0.00 173.10 172.34 3eej s ILE 9 N -1.01 0.46 -0.03 0.90 2.07 -0.19 0.37 121.20 123.78 3eej s ILE 9 Ca 0.35 -0.11 -0.30 0.00 -1.41 0.00 0.00 60.65 59.18 3eej s ILE 9 Cb -0.22 -0.48 0.07 0.00 0.13 0.00 0.00 42.46 41.96 3eej s ILE 9 CO 0.24 0.19 0.69 0.54 -1.91 0.00 0.00 174.94 174.69 3eej s VAL 10 N 0.75 0.00 -0.23 4.00 0.11 -0.29 -4.51 120.40 120.24 3eej s VAL 10 Ca -0.09 0.00 -0.04 0.00 -2.93 0.00 0.00 61.98 58.91 3eej s VAL 10 Cb -0.13 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.71 3eej s VAL 10 CO -0.00 0.00 -0.02 0.00 -3.33 0.00 0.00 175.10 171.75 3eej s ALA 11 N -1.47 2.88 0.00 1.54 0.00 -1.26 -0.81 121.76 122.63 3eej s ALA 11 Ca -0.09 -1.16 0.04 0.00 0.00 0.00 0.00 51.96 50.74 3eej s ALA 11 Cb -0.00 -1.77 -0.01 0.00 0.00 0.00 0.00 23.12 21.33 3eej s ALA 11 CO 0.07 -0.45 -0.13 0.00 0.00 0.00 0.00 175.76 175.25 3eej s ALA 12 N 1.50 1.10 -0.12 0.00 0.00 -0.02 -4.60 121.76 119.62 3eej s ALA 12 Ca 0.06 -0.62 -0.22 0.00 0.00 0.00 0.00 51.96 51.18 3eej s ALA 12 Cb -0.14 -0.26 -0.03 0.00 0.00 0.00 0.00 23.12 22.69 3eej s ALA 12 CO -0.02 0.26 0.64 -1.17 0.00 0.00 0.00 175.76 175.46 3eej s LEU 13 N -0.49 4.25 0.57 0.00 2.96 0.03 -0.39 118.68 125.61 3eej s LEU 13 Ca 0.04 1.00 -0.12 0.00 -0.22 0.00 0.00 54.13 54.83 3eej s LEU 13 Cb -0.06 -2.95 -0.05 0.00 0.50 0.00 0.00 46.19 43.63 3eej s LEU 13 CO -0.00 -0.16 0.99 -0.76 -1.32 0.00 0.00 176.35 175.10 3eej s LEU 14 N 1.18 3.40 0.20 -0.68 1.43 0.86 -0.28 118.68 124.79 3eej s LEU 14 Ca 0.32 1.42 0.24 0.00 -1.03 0.00 0.00 54.13 55.08 3eej s LEU 14 Cb -0.16 -4.42 0.29 0.00 0.03 0.00 0.00 46.19 41.92 3eej s LEU 14 CO 0.14 -0.74 1.32 1.55 0.23 0.00 0.00 176.35 178.85 3eej h PRO 15 N 0.15 0.00 0.00 1.29 0.13 -1.96 -3.45 132.00 128.16 3eej h PRO 15 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3eej h PRO 15 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3eej h PRO 15 CO 0.62 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.78 3eej n GLU 16 N -2.43 0.16 -3.40 0.86 -0.58 -1.23 -4.94 120.64 109.08 3eej n GLU 16 Ca 0.03 0.15 -0.19 0.00 -0.42 0.00 0.00 57.16 56.73 3eej n GLU 16 Cb 0.48 -1.69 0.08 0.00 -0.57 0.00 0.00 31.44 29.74 3eej n GLU 16 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 3eej n MET 17 N -1.97 -6.64 -2.18 3.49 2.81 0.61 -4.58 117.12 108.66 3eej n MET 17 Ca 0.06 0.76 -0.41 0.00 -1.81 0.00 0.00 57.70 56.30 3eej n MET 17 Cb 0.38 -5.55 -0.03 0.00 -0.71 0.00 0.00 33.22 27.32 3eej n MET 17 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 3eej s GLY 18 N -3.73 2.74 0.00 3.03 0.00 -1.00 -0.38 107.32 107.98 3eej s GLY 18 Ca 0.28 1.17 0.00 0.00 0.00 0.00 0.00 44.72 46.17 3eej s GLY 18 CO 0.66 1.96 0.00 0.29 0.00 0.00 0.00 173.10 176.01 3eej n ILE 19 N 1.67 0.00 -3.48 0.90 -5.35 0.12 -0.79 119.36 112.43 3eej n ILE 19 Ca 0.03 -0.31 -0.15 0.00 -0.27 0.00 0.00 62.75 62.04 3eej n ILE 19 Cb 0.42 0.91 -0.04 0.00 -1.74 0.00 0.00 39.64 39.19 3eej n ILE 19 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3eej s GLY 20 N -0.81 -0.60 -0.16 3.28 0.00 -1.18 -4.37 107.32 103.48 3eej s GLY 20 Ca 0.00 0.96 -0.07 0.00 0.00 0.00 0.00 44.72 45.61 3eej s GLY 20 CO 0.00 0.61 0.35 -0.12 0.00 0.00 0.00 173.10 173.95 3eej s PHE 21 N -2.30 -0.56 -1.53 1.90 5.36 -0.41 -0.31 117.98 120.13 3eej s PHE 21 Ca -0.06 1.19 -0.10 0.00 -0.96 0.00 0.00 56.93 57.00 3eej s PHE 21 Cb -0.00 0.18 0.08 0.00 -0.34 0.00 0.00 43.02 42.93 3eej s PHE 21 CO 0.00 -0.35 0.70 1.04 -1.46 0.00 0.00 175.22 175.15 3eej n GLN 22 N 4.70 -3.90 -0.68 10.12 6.02 -1.26 -1.79 117.38 130.59 3eej n GLN 22 Ca -0.17 0.46 0.00 0.00 -0.01 0.00 0.00 57.00 57.27 3eej n GLN 22 Cb 0.52 -5.01 0.00 0.00 1.02 0.00 0.00 30.24 26.78 3eej n GLN 22 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3eej n GLY 23 N -1.68 0.83 3.30 1.08 0.00 -1.26 -5.02 105.19 102.44 3eej n GLY 23 Ca -0.09 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.77 3eej n GLY 23 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3eej s ASN 24 N -2.95 1.65 0.39 1.61 0.01 -0.74 -4.75 114.94 110.17 3eej s ASN 24 Ca 0.00 -1.19 -0.27 0.00 -0.71 0.00 0.00 52.86 50.70 3eej s ASN 24 Cb 0.00 0.04 -0.09 0.00 0.41 0.00 0.00 41.25 41.61 3eej s ASN 24 CO 0.00 -0.51 1.36 -0.76 -1.51 0.00 0.00 177.10 175.67 3eej s LEU 25 N -3.26 4.26 0.00 0.60 1.43 -1.26 -1.29 118.68 119.16 3eej s LEU 25 Ca 0.26 2.77 0.17 0.00 -1.03 0.00 0.00 54.13 56.31 3eej s LEU 25 Cb 0.05 -3.82 1.02 0.00 0.03 0.00 0.00 46.19 43.48 3eej s LEU 25 CO 0.07 -0.85 1.65 -2.65 0.23 0.00 0.00 176.35 174.80 3eej n PRO 26 N 0.26 0.99 -4.00 1.29 -0.02 -1.26 -4.75 135.00 127.50 3eej n PRO 26 Ca 0.03 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.41 3eej n PRO 26 Cb 0.42 -1.27 -0.06 0.00 -0.02 0.00 0.00 33.50 32.57 3eej n PRO 26 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 3eej s TRP 27 N -2.00 0.43 -0.31 6.00 -2.14 -1.26 -4.88 118.94 114.78 3eej s TRP 27 Ca 0.26 -0.77 -0.02 0.00 2.66 0.00 0.00 56.10 58.23 3eej s TRP 27 Cb 0.12 0.09 0.10 0.00 -3.10 0.00 0.00 33.47 30.68 3eej s TRP 27 CO 0.20 -0.92 0.12 0.50 -2.66 0.00 0.00 176.95 174.18 3eej s ARG 28 N -4.02 0.57 -0.25 3.25 6.06 -1.26 -5.10 118.95 118.20 3eej s ARG 28 Ca 0.23 -0.95 0.02 0.00 -2.50 0.00 0.00 55.73 52.53 3eej s ARG 28 Cb 0.01 -1.72 0.06 0.00 0.06 0.00 0.00 34.95 33.35 3eej s ARG 28 CO 0.08 -1.01 -0.07 -0.51 -2.50 0.00 0.00 175.30 171.28 3eej s LEU 29 N 1.70 2.97 0.33 -0.88 1.43 -1.26 -5.00 118.68 117.96 3eej s LEU 29 Ca 0.10 -1.29 0.09 0.00 -1.03 0.00 0.00 54.13 52.00 3eej s LEU 29 Cb -0.17 -1.34 0.58 0.00 0.03 0.00 0.00 46.19 45.29 3eej s LEU 29 CO -0.27 -0.22 1.77 0.00 0.23 0.00 0.00 176.35 177.86 3eej h ALA 30 N 7.87 1.25 -0.20 4.21 0.00 -1.99 -1.45 119.26 128.96 3eej h ALA 30 Ca -0.18 -0.36 -0.17 0.00 0.00 0.00 0.00 54.91 54.20 3eej h ALA 30 Cb 1.06 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 3eej h ALA 30 CO 0.43 0.52 -0.57 0.87 0.00 0.00 0.00 179.25 180.51 3eej h LYS 31 N 0.15 0.63 -0.19 0.00 1.57 -1.98 -1.35 116.57 115.39 3eej h LYS 31 Ca 0.02 -0.41 -0.03 0.00 -1.87 0.00 0.00 60.65 58.36 3eej h LYS 31 Cb 0.70 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.06 3eej h LYS 31 CO 0.05 1.02 -0.00 1.49 -0.57 0.00 0.00 179.45 181.44 3eej h GLU 32 N 0.48 0.34 -0.67 3.15 4.22 -1.93 -2.25 114.58 117.93 3eej h GLU 32 Ca 0.01 -0.11 -0.00 0.00 0.08 0.00 0.00 59.36 59.33 3eej h GLU 32 Cb 1.13 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.32 3eej h GLU 32 CO 0.11 0.55 0.41 1.98 -2.18 0.00 0.00 179.01 179.88 3eej h MET 33 N 0.10 0.89 -0.03 1.92 4.05 -1.23 -1.31 114.93 119.32 3eej h MET 33 Ca 0.05 -0.07 -0.00 0.00 -0.28 0.00 0.00 59.70 59.40 3eej h MET 33 Cb 0.40 -0.19 -0.00 0.00 -0.80 0.00 0.00 31.60 31.00 3eej h MET 33 CO 0.01 0.62 0.01 -0.22 0.23 0.00 0.00 176.91 177.56 3eej h LYS 34 N 0.91 0.06 -0.44 0.39 3.64 -1.20 -0.28 116.57 119.65 3eej h LYS 34 Ca 0.24 -0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.69 3eej h LYS 34 Cb -0.05 -0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 31.68 3eej h LYS 34 CO -0.05 0.29 -0.13 -0.92 -2.27 0.00 0.00 179.45 176.38 3eej h TYR 35 N -0.19 -0.28 -0.42 1.91 5.03 -1.24 0.97 116.97 122.74 3eej h TYR 35 Ca 0.01 0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.37 3eej h TYR 35 Cb 0.27 0.19 -0.02 0.00 1.55 0.00 0.00 36.73 38.72 3eej h TYR 35 CO 0.01 -0.21 0.28 0.35 -1.32 0.00 0.00 178.16 177.27 3eej h PHE 36 N -0.02 0.54 0.48 -3.82 3.04 -1.05 -0.73 116.94 115.38 3eej h PHE 36 Ca 0.21 0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.16 3eej h PHE 36 Cb 0.35 -0.18 -0.02 0.00 2.56 0.00 0.00 35.95 38.66 3eej h PHE 36 CO -0.40 0.34 -0.44 -0.09 -2.02 0.00 0.00 178.31 175.70 3eej h ARG 37 N 0.57 -0.88 -0.32 1.11 2.43 -0.85 -1.70 114.38 114.75 3eej h ARG 37 Ca 0.16 0.06 0.06 0.00 -0.81 0.00 0.00 59.98 59.45 3eej h ARG 37 Cb -0.06 0.20 -0.06 0.00 -0.42 0.00 0.00 29.97 29.63 3eej h ARG 37 CO -0.03 -0.58 -0.04 0.93 -1.51 0.00 0.00 179.97 178.73 3eej h GLU 38 N -0.91 0.04 -0.04 0.20 5.08 -0.74 -0.79 114.58 117.42 3eej h GLU 38 Ca -0.06 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3eej h GLU 38 Cb 0.78 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.02 3eej h GLU 38 CO -0.03 0.03 0.03 0.28 -1.00 0.00 0.00 179.01 178.32 3eej h VAL 39 N 0.04 1.02 0.00 3.13 2.07 -1.13 0.56 116.25 121.94 3eej h VAL 39 Ca 0.16 -0.05 -0.07 0.00 0.82 0.00 0.00 66.70 67.56 3eej h VAL 39 Cb 0.23 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 3eej h VAL 39 CO -0.30 0.02 -0.33 0.71 0.02 0.00 0.00 177.57 177.69 3eej h THR 40 N 0.05 0.75 0.01 2.57 1.35 -1.25 -3.30 112.91 113.08 3eej h THR 40 Ca 0.02 -1.43 -0.13 0.00 -0.55 0.00 0.00 66.41 64.32 3eej h THR 40 Cb 0.01 1.91 -0.02 0.00 -1.73 0.00 0.00 68.15 68.32 3eej h THR 40 CO -0.00 0.32 -0.72 0.74 -0.25 0.00 0.00 175.52 175.61 3eej h THR 41 N 0.00 1.31 -3.98 6.82 2.02 -0.95 -3.41 112.91 114.72 3eej h THR 41 Ca -0.00 -2.26 -0.50 0.00 0.77 0.00 0.00 66.41 64.41 3eej h THR 41 Cb 0.89 2.76 0.05 0.00 -1.74 0.00 0.00 68.15 70.11 3eej h THR 41 CO 0.04 0.46 0.48 -0.76 0.37 0.00 0.00 175.52 176.12 3eej s LEU 42 N -8.01 4.08 0.13 2.58 1.43 0.17 -4.59 118.68 114.47 3eej s LEU 42 Ca -0.24 2.29 0.05 0.00 -1.03 0.00 0.00 54.13 55.20 3eej s LEU 42 Cb 0.02 -4.16 -0.04 0.00 0.03 0.00 0.00 46.19 42.04 3eej s LEU 42 CO 0.64 -0.79 -0.13 0.42 0.23 0.00 0.00 176.35 176.73 3eej s THR 43 N -1.52 1.25 0.15 5.49 -4.23 -1.26 -4.84 115.64 110.68 3eej s THR 43 Ca 0.61 -1.79 0.02 0.00 -1.18 0.00 0.00 61.69 59.34 3eej s THR 43 Cb -0.29 -1.58 -0.17 0.00 1.34 0.00 0.00 72.50 71.80 3eej s THR 43 CO 0.35 -0.51 1.34 0.78 -0.54 0.00 0.00 174.62 176.04 3eej h ASN 44 N 3.34 0.26 -3.68 3.99 2.35 -1.96 -3.42 115.58 116.46 3eej h ASN 44 Ca -0.39 -0.22 -0.67 0.00 -0.55 0.00 0.00 56.30 54.47 3eej h ASN 44 Cb 1.20 -0.08 -0.21 0.00 0.05 0.00 0.00 38.32 39.27 3eej h ASN 44 CO 0.54 1.06 -0.53 -0.62 -1.65 0.00 0.00 177.43 176.22 3eej s ASP 45 N -6.94 5.70 0.15 5.81 -1.08 -1.26 -5.00 116.67 114.05 3eej s ASP 45 Ca -0.03 -0.50 0.25 0.00 -0.52 0.00 0.00 52.55 51.76 3eej s ASP 45 Cb 0.10 -2.04 0.93 0.00 -1.46 0.00 0.00 42.92 40.44 3eej s ASP 45 CO 0.83 -0.21 1.77 -0.46 0.52 0.00 0.00 175.17 177.63 3eej n ASN 46 N 5.02 0.53 0.26 -0.34 6.94 -1.26 -1.03 115.26 125.38 3eej n ASN 46 Ca -0.13 0.57 0.12 0.00 -0.02 0.00 0.00 54.58 55.12 3eej n ASN 46 Cb 0.49 -0.71 0.67 0.00 -2.36 0.00 0.00 39.78 37.87 3eej n ASN 46 CO 0.00 0.00 0.00 0.77 -1.03 0.00 0.00 177.26 177.00 3eej h SER 47 N 0.00 0.00 -1.98 0.53 4.64 -1.98 -3.47 113.55 111.28 3eej h SER 47 Ca 0.00 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.84 3eej h SER 47 Cb 0.57 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.63 3eej h SER 47 CO 0.00 0.00 -0.45 -0.54 -0.87 0.00 0.00 176.83 174.97 3eej s LYS 48 N -3.79 2.96 0.31 4.77 1.02 -0.20 -4.93 119.74 119.87 3eej s LYS 48 Ca -0.03 -1.10 0.07 0.00 0.02 0.00 0.00 55.97 54.93 3eej s LYS 48 Cb 0.07 -2.62 -0.06 0.00 -0.52 0.00 0.00 37.83 34.69 3eej s LYS 48 CO 0.22 0.22 -0.04 -0.65 -0.92 0.00 0.00 175.35 174.18 3eej s GLN 49 N -3.99 1.65 0.26 1.68 -0.21 -1.00 -4.87 119.66 113.18 3eej s GLN 49 Ca 0.39 -1.86 0.01 0.00 0.02 0.00 0.00 55.36 53.92 3eej s GLN 49 Cb -0.08 -1.26 -0.04 0.00 1.00 0.00 0.00 33.01 32.64 3eej s GLN 49 CO 0.27 0.02 0.44 -0.80 -2.12 0.00 0.00 175.29 173.10 3eej s ASN 50 N -3.50 6.34 0.00 5.90 0.01 -1.26 -2.37 114.94 120.06 3eej s ASN 50 Ca 0.31 0.34 -0.07 0.00 -0.71 0.00 0.00 52.86 52.73 3eej s ASN 50 Cb 0.05 -1.98 -0.05 0.00 0.41 0.00 0.00 41.25 39.68 3eej s ASN 50 CO 0.14 -0.14 0.28 -0.69 -1.51 0.00 0.00 177.10 175.18 3eej s VAL 51 N -2.05 5.28 -0.19 1.60 1.01 -0.27 -1.42 120.40 124.37 3eej s VAL 51 Ca 0.38 0.25 0.01 0.00 0.00 0.00 0.00 61.98 62.62 3eej s VAL 51 Cb -0.10 -3.57 0.02 0.00 0.00 0.00 0.00 36.38 32.73 3eej s VAL 51 CO 0.31 0.40 -0.19 0.68 0.00 0.00 0.00 175.10 176.31 3eej s VAL 52 N -1.26 2.12 -0.17 2.92 -7.23 0.95 -0.72 120.40 117.01 3eej s VAL 52 Ca 0.26 -0.96 -0.07 0.00 -1.81 0.00 0.00 61.98 59.40 3eej s VAL 52 Cb -0.13 -1.91 -0.04 0.00 0.56 0.00 0.00 36.38 34.86 3eej s VAL 52 CO 0.15 0.50 0.06 -0.63 -0.31 0.00 0.00 175.10 174.87 3eej s ILE 53 N 1.29 4.79 0.02 -0.62 1.01 0.69 -0.82 121.20 127.56 3eej s ILE 53 Ca 0.04 -0.04 -0.04 0.00 0.00 0.00 0.00 60.65 60.62 3eej s ILE 53 Cb -0.13 -3.14 -0.01 0.00 0.01 0.00 0.00 42.46 39.18 3eej s ILE 53 CO -0.12 0.48 0.06 0.00 0.00 0.00 0.00 174.94 175.36 3eej s MET 54 N 0.18 0.43 0.77 2.79 0.23 -0.27 -0.85 119.30 122.59 3eej s MET 54 Ca 0.04 -0.57 -0.11 0.00 -1.03 0.00 0.00 55.69 54.02 3eej s MET 54 Cb -0.12 0.17 0.05 0.00 -1.53 0.00 0.00 34.83 33.40 3eej s MET 54 CO 0.00 -0.09 1.09 0.20 -2.03 0.00 0.00 175.02 174.19 3eej s GLY 55 N -1.59 1.64 0.27 3.16 0.00 -0.11 -1.28 107.32 109.41 3eej s GLY 55 Ca -0.13 -0.08 -0.01 0.00 0.00 0.00 0.00 44.72 44.49 3eej s GLY 55 CO -0.01 0.31 1.86 -0.09 0.00 0.00 0.00 173.10 175.17 3eej h ARG 56 N -1.02 1.07 -0.14 2.90 1.12 -1.80 -1.18 114.38 115.33 3eej h ARG 56 Ca -0.46 -0.06 -0.20 0.00 -1.11 0.00 0.00 59.98 58.15 3eej h ARG 56 Cb 1.25 -0.24 0.00 0.00 -0.01 0.00 0.00 29.97 30.97 3eej h ARG 56 CO 0.58 0.71 -0.71 0.87 -3.11 0.00 0.00 179.97 178.30 3eej h LYS 57 N 1.10 0.62 -0.34 0.20 1.57 -1.92 -1.00 116.57 116.79 3eej h LYS 57 Ca 0.45 -0.48 0.01 0.00 -1.87 0.00 0.00 60.65 58.76 3eej h LYS 57 Cb 0.28 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 3eej h LYS 57 CO -0.21 1.10 0.22 1.15 -0.57 0.00 0.00 179.45 181.14 3eej h THR 58 N 0.43 1.08 -0.52 -0.16 2.02 -1.73 -2.24 112.91 111.79 3eej h THR 58 Ca -0.03 -0.15 0.09 0.00 0.77 0.00 0.00 66.41 67.08 3eej h THR 58 Cb 1.30 0.59 -0.07 0.00 -1.74 0.00 0.00 68.15 68.24 3eej h THR 58 CO 0.14 0.08 0.13 -0.25 0.37 0.00 0.00 175.52 175.98 3eej h TRP 59 N 0.44 0.21 0.00 3.16 2.91 -0.97 -0.87 115.95 120.83 3eej h TRP 59 Ca 0.13 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 60.17 3eej h TRP 59 Cb -0.04 -0.01 -0.00 0.00 -0.51 0.00 0.00 29.16 28.59 3eej h TRP 59 CO -0.06 0.01 -0.04 0.93 -1.03 0.00 0.00 178.44 178.26 3eej h GLU 60 N 0.27 0.00 0.00 2.65 5.08 -0.92 -2.10 114.58 119.56 3eej h GLU 60 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 3eej h GLU 60 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 3eej h GLU 60 CO -0.33 0.04 -0.42 -1.13 -1.00 0.00 0.00 179.01 176.16 3eej n SER 61 N -3.19 0.54 -4.72 1.42 3.41 -0.36 -4.85 113.62 105.87 3eej n SER 61 Ca -0.01 0.11 -0.42 0.00 -0.26 0.00 0.00 58.87 58.29 3eej n SER 61 Cb 0.25 -0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 64.16 3eej n SER 61 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3eej s ILE 62 N -3.08 3.80 0.19 -1.33 1.01 -0.79 -4.96 121.20 116.04 3eej s ILE 62 Ca 0.09 1.35 -0.33 0.00 0.00 0.00 0.00 60.65 61.77 3eej s ILE 62 Cb 0.15 -3.86 -0.14 0.00 0.01 0.00 0.00 42.46 38.62 3eej s ILE 62 CO 0.67 0.14 1.41 -2.65 0.00 0.00 0.00 174.94 174.50 3eej n PRO 63 N 3.54 1.83 -0.34 2.79 -0.02 -1.26 -4.82 135.00 136.71 3eej n PRO 63 Ca 0.08 0.65 0.21 0.00 -2.02 0.00 0.00 63.50 62.42 3eej n PRO 63 Cb 0.45 -2.31 0.45 0.00 -0.02 0.00 0.00 33.50 32.07 3eej n PRO 63 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 3eej h GLN 64 N 4.58 0.46 -0.07 -0.52 4.20 -1.92 0.11 115.11 121.95 3eej h GLN 64 Ca -0.45 -0.03 0.02 0.00 0.06 0.00 0.00 58.65 58.25 3eej h GLN 64 Cb 1.29 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.96 3eej h GLN 64 CO 0.79 0.31 0.09 0.87 -0.67 0.00 0.00 178.83 180.21 3eej h LYS 65 N 0.48 0.00 -0.06 1.46 1.57 -2.02 -3.10 116.57 114.89 3eej h LYS 65 Ca 0.63 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.41 3eej h LYS 65 Cb 1.40 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.71 3eej h LYS 65 CO -0.40 0.00 0.00 1.19 -0.57 0.00 0.00 179.45 179.67 3eej n PHE 66 N -3.74 0.07 -4.58 -1.35 3.01 0.39 -4.99 117.46 106.27 3eej n PHE 66 Ca -0.01 -0.08 -0.30 0.00 1.01 0.00 0.00 57.45 58.07 3eej n PHE 66 Cb 0.18 -0.00 -0.13 0.00 -0.01 0.00 0.00 39.48 39.51 3eej n PHE 66 CO 0.00 0.00 0.00 -0.98 1.01 0.00 0.00 176.76 176.79 3eej s ARG 67 N -0.90 1.65 0.70 -1.08 1.70 -1.17 -3.77 118.95 116.08 3eej s ARG 67 Ca 0.14 -1.21 -0.15 0.00 -0.47 0.00 0.00 55.73 54.04 3eej s ARG 67 Cb 0.09 -1.98 0.02 0.00 -0.57 0.00 0.00 34.95 32.51 3eej s ARG 67 CO 0.14 0.48 1.15 -1.25 -1.08 0.00 0.00 175.30 174.74 3eej s PRO 68 N -1.72 2.43 0.09 3.89 0.04 -1.26 -4.96 135.00 133.50 3eej s PRO 68 Ca 0.14 1.54 -0.31 0.00 0.04 0.00 0.00 61.00 62.40 3eej s PRO 68 Cb -0.10 -1.89 -0.10 0.00 0.04 0.00 0.00 34.50 32.45 3eej s PRO 68 CO 0.05 -1.57 1.89 1.28 0.04 0.00 0.00 177.00 178.69 3eej n LEU 69 N -2.67 4.06 -4.77 -3.56 4.77 -1.25 -4.89 117.00 108.69 3eej n LEU 69 Ca 0.12 0.96 -0.41 0.00 -0.03 0.00 0.00 56.01 56.64 3eej n LEU 69 Cb 0.51 -1.53 0.00 0.00 -2.33 0.00 0.00 43.42 40.07 3eej n LEU 69 CO 0.48 0.17 1.12 -2.65 -1.33 0.00 0.00 177.39 175.18 3eej n PRO 70 N 6.31 2.63 -1.19 3.23 -0.02 -1.26 -3.53 135.00 141.16 3eej n PRO 70 Ca 0.19 0.92 -0.07 0.00 -2.02 0.00 0.00 63.50 62.52 3eej n PRO 70 Cb 0.38 -2.65 -0.03 0.00 -0.02 0.00 0.00 33.50 31.18 3eej n PRO 70 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3eej n LYS 71 N 0.40 -0.81 -4.28 -0.52 5.02 -1.26 -4.95 118.16 111.76 3eej n LYS 71 Ca 0.02 0.64 -0.18 0.00 -2.02 0.00 0.00 58.31 56.77 3eej n LYS 71 Cb 0.39 -4.51 -0.14 0.00 -0.02 0.00 0.00 35.03 30.75 3eej n LYS 71 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3eej s ARG 72 N -2.20 0.70 -0.11 1.97 0.52 -1.23 -4.56 118.95 114.04 3eej s ARG 72 Ca 0.00 -0.49 -0.29 0.00 -0.52 0.00 0.00 55.73 54.43 3eej s ARG 72 Cb 0.00 -0.65 -0.04 0.00 0.52 0.00 0.00 34.95 34.78 3eej s ARG 72 CO 0.00 0.17 1.51 0.42 0.02 0.00 0.00 175.30 177.42 3eej s ILE 73 N -0.56 3.84 -0.13 1.52 1.01 -0.50 -4.80 121.20 121.58 3eej s ILE 73 Ca 0.00 1.01 -0.14 0.00 0.00 0.00 0.00 60.65 61.53 3eej s ILE 73 Cb -0.05 -3.68 -0.05 0.00 0.01 0.00 0.00 42.46 38.69 3eej s ILE 73 CO 0.00 -0.12 0.32 0.20 0.00 0.00 0.00 174.94 175.34 3eej s ASN 74 N 2.96 6.51 -0.09 3.58 -0.87 -0.91 -0.03 114.94 126.09 3eej s ASN 74 Ca 0.66 0.60 0.02 0.00 -1.57 0.00 0.00 52.86 52.58 3eej s ASN 74 Cb -0.28 -2.19 0.01 0.00 -0.02 0.00 0.00 41.25 38.77 3eej s ASN 74 CO 0.24 0.15 -0.15 -0.69 -2.57 0.00 0.00 177.10 174.08 3eej s VAL 75 N 0.11 1.42 -0.12 1.60 1.01 0.00 -1.03 120.40 123.40 3eej s VAL 75 Ca 0.18 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.55 3eej s VAL 75 Cb -0.14 -1.29 -0.02 0.00 0.00 0.00 0.00 36.38 34.93 3eej s VAL 75 CO 0.06 0.42 -0.12 -0.69 0.00 0.00 0.00 175.10 174.77 3eej s VAL 76 N 0.83 3.18 -0.14 2.92 1.01 -0.37 -1.12 120.40 126.72 3eej s VAL 76 Ca -0.10 -0.63 -0.02 0.00 0.00 0.00 0.00 61.98 61.23 3eej s VAL 76 Cb -0.15 -2.33 -0.02 0.00 0.00 0.00 0.00 36.38 33.87 3eej s VAL 76 CO 0.01 0.54 -0.07 0.68 0.00 0.00 0.00 175.10 176.26 3eej s VAL 77 N 0.11 3.64 -0.09 2.92 -7.23 -0.40 -1.74 120.40 117.60 3eej s VAL 77 Ca -0.05 -0.45 -0.07 0.00 -1.81 0.00 0.00 61.98 59.59 3eej s VAL 77 Cb -0.15 -2.57 0.03 0.00 0.56 0.00 0.00 36.38 34.25 3eej s VAL 77 CO 0.04 0.51 0.23 -0.55 -0.31 0.00 0.00 175.10 175.02 3eej s SER 78 N 0.24 -0.24 0.08 4.85 0.15 -0.22 -2.20 113.70 116.36 3eej s SER 78 Ca -0.05 0.46 0.16 0.00 0.70 0.00 0.00 55.95 57.23 3eej s SER 78 Cb -0.14 0.43 0.68 0.00 -1.71 0.00 0.00 66.02 65.28 3eej s SER 78 CO 0.04 -0.10 1.49 0.54 1.20 0.00 0.00 173.24 176.41 3eej n ARG 79 N 3.33 0.06 -0.30 5.44 1.74 -1.26 -2.39 116.66 123.27 3eej n ARG 79 Ca -0.16 0.33 0.12 0.00 -0.77 0.00 0.00 57.85 57.36 3eej n ARG 79 Cb 0.57 -1.61 0.29 0.00 -1.02 0.00 0.00 32.46 30.68 3eej n ARG 79 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3eej n SER 80 N -1.72 3.66 -2.14 0.55 3.41 -1.26 -4.87 113.62 111.25 3eej n SER 80 Ca 0.03 -1.99 -0.01 0.00 -0.26 0.00 0.00 58.87 56.63 3eej n SER 80 Cb 0.16 -0.40 0.01 0.00 -0.26 0.00 0.00 64.21 63.72 3eej n SER 80 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3eej n PHE 81 N 1.53 -3.23 0.00 7.33 3.72 -1.00 -5.06 117.46 120.75 3eej n PHE 81 Ca 0.22 -0.10 0.00 0.00 -0.05 0.00 0.00 57.45 57.53 3eej n PHE 81 Cb 0.60 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 39.10 3eej n PHE 81 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3eej n ASP 82 N -2.99 2.11 0.00 4.37 9.92 -1.26 -4.63 116.55 124.08 3eej n ASP 82 Ca 0.01 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.27 3eej n ASP 82 Cb 0.03 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.51 3eej n ASP 82 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3eej n GLY 83 N 2.90 1.03 0.10 0.44 0.00 -1.26 -4.94 105.19 103.46 3eej n GLY 83 Ca 0.00 -0.17 -0.12 0.00 0.00 0.00 0.00 46.02 45.73 3eej n GLY 83 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3eej n GLU 84 N 0.00 0.68 -3.15 1.61 2.13 -1.26 -1.41 120.64 119.23 3eej n GLU 84 Ca 0.00 0.11 0.05 0.00 0.66 0.00 0.00 57.16 57.98 3eej n GLU 84 Cb 0.00 -1.60 -0.00 0.00 0.27 0.00 0.00 31.44 30.11 3eej n GLU 84 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 3eej s LEU 85 N -5.95 -0.70 -0.08 4.31 2.96 -1.25 -3.77 118.68 114.20 3eej s LEU 85 Ca -0.15 0.11 0.03 0.00 -0.22 0.00 0.00 54.13 53.90 3eej s LEU 85 Cb 0.07 1.45 0.01 0.00 0.50 0.00 0.00 46.19 48.22 3eej s LEU 85 CO 0.78 -0.13 -0.17 -0.60 -1.32 0.00 0.00 176.35 174.91 3eej s ARG 86 N 2.93 2.28 0.05 1.98 3.52 0.47 -4.93 118.95 125.24 3eej s ARG 86 Ca 0.22 -0.61 -0.31 0.00 -0.13 0.00 0.00 55.73 54.90 3eej s ARG 86 Cb -0.04 -1.80 -0.07 0.00 -1.56 0.00 0.00 34.95 31.48 3eej s ARG 86 CO -0.23 0.08 1.47 0.21 -0.81 0.00 0.00 175.30 176.03 3eej s LYS 87 N 0.55 4.27 -0.01 5.12 2.20 -1.26 0.34 119.74 130.94 3eej s LYS 87 Ca -0.16 2.10 0.05 0.00 -0.36 0.00 0.00 55.97 57.60 3eej s LYS 87 Cb -0.17 -3.49 -0.07 0.00 -1.51 0.00 0.00 37.83 32.59 3eej s LYS 87 CO 0.06 -0.59 0.09 1.33 -0.36 0.00 0.00 175.35 175.88 3eej n VAL 88 N 4.50 0.05 -3.83 4.02 0.24 -0.01 -4.91 118.33 118.39 3eej n VAL 88 Ca 0.13 -0.13 -0.07 0.00 -2.04 0.00 0.00 64.34 62.24 3eej n VAL 88 Cb 0.42 0.19 0.00 0.00 -1.47 0.00 0.00 33.84 32.99 3eej n VAL 88 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 3eej s GLU 89 N -2.31 1.79 0.06 7.34 2.02 -1.05 -5.03 118.70 121.52 3eej s GLU 89 Ca -0.02 -1.08 -0.31 0.00 0.02 0.00 0.00 54.97 53.59 3eej s GLU 89 Cb 0.03 0.55 -0.08 0.00 0.10 0.00 0.00 34.13 34.73 3eej s GLU 89 CO 0.20 -0.83 1.71 -0.51 0.02 0.00 0.00 175.26 175.85 3eej s ASP 90 N -3.04 6.57 0.00 -0.19 1.01 -1.26 -1.54 116.67 118.22 3eej s ASP 90 Ca 0.14 2.52 0.00 0.00 0.71 0.00 0.00 52.55 55.92 3eej s ASP 90 Cb -0.04 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.33 3eej s ASP 90 CO 0.08 -0.93 0.00 0.61 0.21 0.00 0.00 175.17 175.14 3eej n GLY 91 N 4.10 1.45 2.93 0.21 0.00 -1.26 -4.91 105.19 107.70 3eej n GLY 91 Ca 0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 3eej n GLY 91 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3eej s ILE 92 N -3.02 1.07 0.00 -0.61 1.01 -0.59 -2.13 121.20 116.93 3eej s ILE 92 Ca 0.00 -0.33 0.04 0.00 0.00 0.00 0.00 60.65 60.36 3eej s ILE 92 Cb 0.00 -1.07 -0.03 0.00 0.01 0.00 0.00 42.46 41.37 3eej s ILE 92 CO 0.00 0.37 -0.10 -0.31 0.00 0.00 0.00 174.94 174.90 3eej s TYR 93 N 1.57 2.79 -0.06 3.97 2.02 -0.20 -0.83 117.35 126.61 3eej s TYR 93 Ca 0.03 -0.10 0.04 0.00 -0.37 0.00 0.00 57.07 56.66 3eej s TYR 93 Cb -0.13 -1.58 -0.02 0.00 -0.40 0.00 0.00 41.96 39.83 3eej s TYR 93 CO -0.07 0.32 -0.16 -1.01 -1.57 0.00 0.00 175.55 173.06 3eej s HIS 94 N -0.94 2.66 0.01 2.71 3.76 0.15 -1.23 115.29 122.41 3eej s HIS 94 Ca 0.16 -0.32 0.01 0.00 -0.15 0.00 0.00 55.06 54.76 3eej s HIS 94 Cb -0.11 -1.65 -0.01 0.00 1.11 0.00 0.00 32.58 31.92 3eej s HIS 94 CO 0.06 0.06 -0.05 0.45 -0.85 0.00 0.00 174.74 174.42 3eej s SER 95 N -0.49 0.50 -0.09 1.40 0.15 -0.71 -0.40 113.70 114.06 3eej s SER 95 Ca 0.06 -0.25 0.11 0.00 0.70 0.00 0.00 55.95 56.58 3eej s SER 95 Cb -0.12 -0.00 0.49 0.00 -1.71 0.00 0.00 66.02 64.67 3eej s SER 95 CO 0.02 -0.07 1.33 -0.46 1.20 0.00 0.00 173.24 175.25 3eej n ASN 96 N 2.41 3.43 -3.24 5.45 6.94 -0.50 -1.06 115.26 128.69 3eej n ASN 96 Ca -0.17 -2.35 0.00 0.00 -0.02 0.00 0.00 54.58 52.05 3eej n ASN 96 Cb 0.57 -0.49 -0.03 0.00 -2.36 0.00 0.00 39.78 37.47 3eej n ASN 96 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 3eej s SER 97 N -0.71 -0.98 0.20 0.53 0.15 -1.26 -4.58 113.70 107.04 3eej s SER 97 Ca 0.34 0.78 -0.16 0.00 0.70 0.00 0.00 55.95 57.61 3eej s SER 97 Cb 0.23 1.92 0.20 0.00 -1.71 0.00 0.00 66.02 66.66 3eej s SER 97 CO 0.15 -0.27 1.36 -0.11 1.20 0.00 0.00 173.24 175.57 3eej n LEU 98 N 5.42 -0.58 -0.00 3.45 0.00 -1.26 -0.55 117.00 123.47 3eej n LEU 98 Ca -0.02 1.53 -0.19 0.00 0.00 0.00 0.00 56.01 57.32 3eej n LEU 98 Cb 0.51 -0.34 -0.14 0.00 0.00 0.00 0.00 43.42 43.44 3eej n LEU 98 CO 0.03 -1.37 -0.79 0.54 0.00 0.00 0.00 177.39 175.80 3eej n ARG 99 N -5.28 0.74 0.08 1.96 1.74 -1.26 -2.88 116.66 111.75 3eej n ARG 99 Ca 0.09 0.26 -0.07 0.00 -0.77 0.00 0.00 57.85 57.36 3eej n ARG 99 Cb 0.35 -1.71 0.06 0.00 -1.02 0.00 0.00 32.46 30.13 3eej n ARG 99 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 3eej h ASN 100 N 0.06 0.29 -1.00 0.55 2.35 -1.88 -2.33 115.58 113.62 3eej h ASN 100 Ca -0.41 -0.20 0.25 0.00 -0.55 0.00 0.00 56.30 55.39 3eej h ASN 100 Cb 2.03 -0.09 -0.08 0.00 0.05 0.00 0.00 38.32 40.23 3eej h ASN 100 CO 0.08 0.91 0.66 0.00 -1.65 0.00 0.00 177.43 177.43 3eej n LEU 102 N -4.57 2.61 -0.11 0.00 7.94 -0.94 -0.29 117.00 121.64 3eej n LEU 102 Ca 0.23 0.13 -0.09 0.00 -1.11 0.00 0.00 56.01 55.18 3eej n LEU 102 Cb 0.83 -1.01 -0.01 0.00 0.53 0.00 0.00 43.42 43.76 3eej n LEU 102 CO 0.28 0.80 1.01 0.74 -1.11 0.00 0.00 177.39 179.11 3eej h THR 103 N -0.16 1.10 -0.21 1.96 2.02 -1.30 -1.81 112.91 114.50 3eej h THR 103 Ca -0.49 -0.19 0.03 0.00 0.77 0.00 0.00 66.41 66.54 3eej h THR 103 Cb 1.88 0.60 -0.03 0.00 -1.74 0.00 0.00 68.15 68.85 3eej h THR 103 CO -0.05 0.09 0.01 0.00 0.37 0.00 0.00 175.52 175.95 3eej h ALA 104 N 1.12 0.20 -0.72 6.16 0.00 -0.73 -3.12 119.26 122.17 3eej h ALA 104 Ca 0.13 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 3eej h ALA 104 Cb -0.04 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3eej h ALA 104 CO -0.03 -0.42 0.33 -0.07 0.00 0.00 0.00 179.25 179.06 3eej h LEU 105 N 0.08 0.93 -0.84 0.00 3.38 -0.42 -2.15 115.31 116.30 3eej h LEU 105 Ca 0.10 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3eej h LEU 105 Cb 0.12 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.63 3eej h LEU 105 CO -0.16 0.80 0.62 1.56 0.09 0.00 0.00 178.44 181.35 3eej h GLN 106 N 1.02 0.00 -6.26 1.13 1.08 -1.29 -3.44 115.11 107.35 3eej h GLN 106 Ca 0.25 0.00 -0.56 0.00 -1.45 0.00 0.00 58.65 56.88 3eej h GLN 106 Cb 0.13 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.53 3eej h GLN 106 CO -0.03 0.00 1.05 0.45 -0.95 0.00 0.00 178.83 179.35 3eej s SER 107 N -3.50 6.60 0.49 1.46 0.15 -0.81 -4.85 113.70 113.25 3eej s SER 107 Ca -0.01 1.71 0.26 0.00 0.70 0.00 0.00 55.95 58.61 3eej s SER 107 Cb 0.04 -2.53 1.28 0.00 -1.71 0.00 0.00 66.02 63.09 3eej s SER 107 CO 0.12 -1.05 2.00 0.77 1.20 0.00 0.00 173.24 176.27 3eej h SER 108 N 9.72 0.00 -0.45 5.45 4.64 -1.90 -0.51 113.55 130.51 3eej h SER 108 Ca -0.32 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.86 3eej h SER 108 Cb 1.14 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.22 3eej h SER 108 CO 0.99 0.16 -0.26 -0.07 -0.87 0.00 0.00 176.83 176.78 3eej h LEU 109 N 0.00 1.01 -0.13 5.97 4.07 -1.97 0.14 115.31 124.40 3eej h LEU 109 Ca -0.00 -0.40 -0.23 0.00 0.08 0.00 0.00 57.88 57.33 3eej h LEU 109 Cb 0.45 -0.28 -0.00 0.00 1.08 0.00 0.00 40.66 41.91 3eej h LEU 109 CO 0.02 1.20 -1.00 0.00 -1.08 0.00 0.00 178.44 177.58 3eej h ALA 110 N 0.86 0.35 -0.00 1.53 0.00 -1.71 -3.39 119.26 116.90 3eej h ALA 110 Ca 0.10 -0.77 0.00 0.00 0.00 0.00 0.00 54.91 54.24 3eej h ALA 110 Cb 0.84 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3eej h ALA 110 CO 0.07 0.91 -0.29 0.27 0.00 0.00 0.00 179.25 180.22 3eej n ASN 111 N -3.64 0.77 0.00 0.00 0.23 -0.27 -4.97 115.26 107.38 3eej n ASN 111 Ca -0.06 -0.89 0.00 0.00 -0.53 0.00 0.00 54.58 53.11 3eej n ASN 111 Cb 0.88 0.73 0.00 0.00 -2.08 0.00 0.00 39.78 39.31 3eej n ASN 111 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3eej n GLU 112 N -0.73 0.00 -4.23 -3.83 1.02 0.03 -0.05 120.64 112.85 3eej n GLU 112 Ca 0.03 0.11 -0.37 0.00 -0.02 0.00 0.00 57.16 56.91 3eej n GLU 112 Cb 0.16 -2.63 -0.06 0.00 -0.02 0.00 0.00 31.44 28.90 3eej n GLU 112 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3eej n ASN 113 N 1.44 -2.19 -0.31 1.62 5.03 -1.24 -4.91 115.26 114.69 3eej n ASN 113 Ca 0.00 -0.99 0.09 0.00 0.87 0.00 0.00 54.58 54.55 3eej n ASN 113 Cb 0.25 -1.88 0.17 0.00 -1.02 0.00 0.00 39.78 37.30 3eej n ASN 113 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 3eej n LYS 114 N -3.97 1.80 -3.47 3.52 4.76 0.92 -4.86 118.16 116.86 3eej n LYS 114 Ca 0.09 -2.64 -0.39 0.00 -2.87 0.00 0.00 58.31 52.51 3eej n LYS 114 Cb 0.47 -1.59 -0.10 0.00 -1.84 0.00 0.00 35.03 31.97 3eej n LYS 114 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3eej s ILE 115 N -2.82 5.23 0.05 -0.18 -1.09 -1.26 -2.39 121.20 118.74 3eej s ILE 115 Ca 0.34 0.38 -0.26 0.00 -2.23 0.00 0.00 60.65 58.89 3eej s ILE 115 Cb 0.29 -3.64 -0.13 0.00 -1.58 0.00 0.00 42.46 37.40 3eej s ILE 115 CO 0.05 0.18 1.39 -0.08 -1.23 0.00 0.00 174.94 175.25 3eej h GLU 116 N 8.27 -0.79 -4.45 2.79 4.81 -1.80 -3.48 114.58 119.93 3eej h GLU 116 Ca -0.33 0.05 -0.22 0.00 -0.13 0.00 0.00 59.36 58.74 3eej h GLU 116 Cb 1.17 0.18 -0.18 0.00 0.63 0.00 0.00 28.75 30.55 3eej h GLU 116 CO 0.61 -0.53 -0.71 1.03 -0.73 0.00 0.00 179.01 178.68 3eej s ARG 117 N -5.01 0.60 -0.28 1.92 0.52 -1.26 -4.23 118.95 111.21 3eej s ARG 117 Ca -0.13 -0.97 -0.06 0.00 -0.52 0.00 0.00 55.73 54.04 3eej s ARG 117 Cb 0.02 -0.13 0.01 0.00 0.52 0.00 0.00 34.95 35.37 3eej s ARG 117 CO 0.41 -0.01 0.05 0.42 0.02 0.00 0.00 175.30 176.20 3eej s ILE 118 N -2.43 3.83 -0.24 1.52 1.01 -0.77 -1.12 121.20 123.00 3eej s ILE 118 Ca -0.02 -0.67 -0.10 0.00 0.00 0.00 0.00 60.65 59.86 3eej s ILE 118 Cb -0.03 -2.94 -0.05 0.00 0.01 0.00 0.00 42.46 39.45 3eej s ILE 118 CO -0.03 0.14 0.15 -0.31 0.00 0.00 0.00 174.94 174.90 3eej s TYR 119 N 1.49 3.30 -0.34 3.97 2.02 0.10 -0.40 117.35 127.48 3eej s TYR 119 Ca 0.03 0.19 -0.18 0.00 -0.37 0.00 0.00 57.07 56.73 3eej s TYR 119 Cb -0.17 -2.26 -0.01 0.00 -0.40 0.00 0.00 41.96 39.12 3eej s TYR 119 CO 0.01 0.04 0.53 0.42 -1.57 0.00 0.00 175.55 174.99 3eej s ILE 120 N 1.08 5.00 -0.47 2.71 1.01 0.07 -0.22 121.20 130.39 3eej s ILE 120 Ca 0.07 0.43 0.14 0.00 0.00 0.00 0.00 60.65 61.29 3eej s ILE 120 Cb -0.14 -3.97 0.41 0.00 0.01 0.00 0.00 42.46 38.77 3eej s ILE 120 CO 0.05 -0.20 1.32 2.30 0.00 0.00 0.00 174.94 178.41 3eej n ILE 121 N 5.42 1.70 0.00 2.92 -5.35 -0.03 -1.02 119.36 123.01 3eej n ILE 121 Ca -0.04 -1.51 0.00 0.00 -0.27 0.00 0.00 62.75 60.93 3eej n ILE 121 Cb 0.49 0.08 0.00 0.00 -1.74 0.00 0.00 39.64 38.47 3eej n ILE 121 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3eej n GLY 122 N -0.14 1.04 0.00 3.28 0.00 -1.25 -4.96 105.19 103.16 3eej n GLY 122 Ca 0.16 -2.23 0.00 0.00 0.00 0.00 0.00 46.02 43.95 3eej n GLY 122 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3eej n GLY 123 N -0.56 2.38 0.12 -0.02 0.00 -1.26 -0.93 105.19 104.92 3eej n GLY 123 Ca 0.00 -1.26 -0.07 0.00 0.00 0.00 0.00 46.02 44.68 3eej n GLY 123 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3eej h GLY 124 N 0.00 0.28 1.41 -0.02 0.00 -1.97 0.15 103.07 102.91 3eej h GLY 124 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.18 3eej h GLY 124 CO 0.00 -0.03 -0.46 -2.09 0.00 0.00 0.00 176.54 173.96 3eej h GLU 125 N 0.12 0.63 -0.08 4.80 4.81 -1.95 -1.68 114.58 121.23 3eej h GLU 125 Ca 0.12 -0.36 -0.01 0.00 -0.13 0.00 0.00 59.36 58.99 3eej h GLU 125 Cb 0.14 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.54 3eej h GLU 125 CO -0.18 0.96 0.03 0.82 -0.73 0.00 0.00 179.01 179.91 3eej h ILE 126 N 0.51 1.17 -0.95 2.32 1.08 -1.74 -2.95 117.51 116.95 3eej h ILE 126 Ca 0.03 -0.52 0.09 0.00 -0.39 0.00 0.00 64.86 64.07 3eej h ILE 126 Cb 1.00 1.37 -0.07 0.00 -3.07 0.00 0.00 36.82 36.05 3eej h ILE 126 CO 0.09 0.15 0.60 1.88 -0.69 0.00 0.00 178.15 180.18 3eej h TYR 127 N -0.06 1.09 -0.75 1.37 0.05 -0.56 -1.68 116.97 116.44 3eej h TYR 127 Ca 0.03 0.03 0.13 0.00 0.05 0.00 0.00 58.73 58.97 3eej h TYR 127 Cb 0.21 -0.35 -0.09 0.00 1.01 0.00 0.00 36.73 37.52 3eej h TYR 127 CO -0.00 0.50 0.33 0.00 -1.05 0.00 0.00 178.16 177.93 3eej h ARG 128 N 1.02 0.48 -0.00 4.88 3.08 -1.23 -1.23 114.38 121.37 3eej h ARG 128 Ca 0.44 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.46 3eej h ARG 128 Cb 0.32 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.26 3eej h ARG 128 CO -0.22 0.32 -0.05 1.04 -1.07 0.00 0.00 179.97 179.99 3eej n GLN 129 N -4.96 0.56 0.00 0.04 6.02 -0.67 -3.91 117.38 114.46 3eej n GLN 129 Ca 0.14 -0.09 0.09 0.00 -0.01 0.00 0.00 57.00 57.13 3eej n GLN 129 Cb 0.38 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 30.11 3eej n GLN 129 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 3eej n SER 130 N -1.14 1.63 0.01 1.08 7.64 -0.47 -4.33 113.62 118.04 3eej n SER 130 Ca 0.15 -1.32 0.04 0.00 1.01 0.00 0.00 58.87 58.75 3eej n SER 130 Cb 0.25 0.60 0.43 0.00 -1.01 0.00 0.00 64.21 64.48 3eej n SER 130 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 3eej h MET 131 N 1.66 0.52 -0.01 1.43 2.86 -1.67 -0.40 114.93 119.33 3eej h MET 131 Ca 0.00 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 3eej h MET 131 Cb 0.61 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.16 3eej h MET 131 CO 0.00 0.35 -0.26 -0.25 1.06 0.00 0.00 176.91 177.81 3eej n ASP 132 N -4.47 1.61 -0.10 1.22 9.92 -1.26 -4.26 116.55 119.21 3eej n ASP 132 Ca 0.03 -1.29 -0.12 0.00 -0.53 0.00 0.00 54.79 52.88 3eej n ASP 132 Cb 0.06 0.21 -0.11 0.00 -0.64 0.00 0.00 41.12 40.63 3eej n ASP 132 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 3eej n LEU 133 N -0.13 1.53 -4.78 0.64 4.32 -0.48 -5.02 117.00 113.08 3eej n LEU 133 Ca 0.12 -0.06 -0.37 0.00 -0.02 0.00 0.00 56.01 55.69 3eej n LEU 133 Cb 0.41 -0.19 -0.04 0.00 -1.62 0.00 0.00 43.42 41.99 3eej n LEU 133 CO 0.24 0.64 0.74 0.00 -1.22 0.00 0.00 177.39 177.80 3eej s ALA 134 N -2.42 3.10 0.02 -1.18 0.00 -0.28 -4.83 121.76 116.17 3eej s ALA 134 Ca -0.19 0.73 0.05 0.00 0.00 0.00 0.00 51.96 52.55 3eej s ALA 134 Cb 0.06 -3.28 -0.24 0.00 0.00 0.00 0.00 23.12 19.66 3eej s ALA 134 CO 0.59 -0.24 0.92 -0.44 0.00 0.00 0.00 175.76 176.59 3eej h ASP 135 N 2.56 0.13 -5.34 0.00 3.32 -0.53 -3.48 116.42 113.08 3eej h ASP 135 Ca -0.48 -0.19 -0.15 0.00 0.02 0.00 0.00 57.03 56.23 3eej h ASP 135 Cb 1.22 -0.04 -0.14 0.00 0.22 0.00 0.00 39.33 40.58 3eej h ASP 135 CO 0.62 1.16 -0.55 -1.00 -1.72 0.00 0.00 179.24 177.76 3eej s HIS 136 N -2.64 0.65 -0.06 4.55 3.76 -1.11 -2.98 115.29 117.46 3eej s HIS 136 Ca -0.05 -1.05 0.02 0.00 -0.15 0.00 0.00 55.06 53.84 3eej s HIS 136 Cb 0.08 -0.33 0.01 0.00 1.11 0.00 0.00 32.58 33.45 3eej s HIS 136 CO 0.83 -0.55 -0.11 -1.58 -0.85 0.00 0.00 174.74 172.47 3eej s TRP 137 N -4.00 1.35 -0.40 1.40 0.52 0.46 -1.55 118.94 116.73 3eej s TRP 137 Ca 0.19 -0.47 -0.17 0.00 0.02 0.00 0.00 56.10 55.67 3eej s TRP 137 Cb 0.06 -1.00 0.01 0.00 -1.15 0.00 0.00 33.47 31.40 3eej s TRP 137 CO -0.01 -0.25 0.42 -0.51 0.02 0.00 0.00 176.95 176.63 3eej s LEU 138 N 0.61 4.72 -0.18 2.99 1.43 0.16 -0.67 118.68 127.74 3eej s LEU 138 Ca -0.13 -0.51 0.00 0.00 -1.03 0.00 0.00 54.13 52.46 3eej s LEU 138 Cb -0.15 -2.39 0.01 0.00 0.03 0.00 0.00 46.19 43.70 3eej s LEU 138 CO 0.03 -0.51 -0.18 -0.63 0.23 0.00 0.00 176.35 175.29 3eej s ILE 139 N 2.12 2.28 -0.35 -0.59 1.01 -0.82 -1.14 121.20 123.71 3eej s ILE 139 Ca 0.12 -0.87 -0.26 0.00 0.00 0.00 0.00 60.65 59.64 3eej s ILE 139 Cb -0.17 -1.97 0.01 0.00 0.01 0.00 0.00 42.46 40.35 3eej s ILE 139 CO 0.13 0.52 0.94 -0.89 0.00 0.00 0.00 174.94 175.64 3eej s THR 140 N 1.27 4.60 -0.32 2.92 2.01 0.01 -1.57 115.64 124.55 3eej s THR 140 Ca 0.04 1.29 -0.17 0.00 0.31 0.00 0.00 61.69 63.17 3eej s THR 140 Cb -0.13 -4.32 -0.02 0.00 0.01 0.00 0.00 72.50 68.03 3eej s THR 140 CO -0.10 -0.49 0.44 -0.54 -0.69 0.00 0.00 174.62 173.24 3eej s LYS 141 N 3.44 3.75 -0.13 4.92 1.02 0.11 -0.84 119.74 132.02 3eej s LYS 141 Ca 0.39 -0.13 -0.03 0.00 0.02 0.00 0.00 55.97 56.23 3eej s LYS 141 Cb -0.12 -3.75 -0.03 0.00 -0.52 0.00 0.00 37.83 33.41 3eej s LYS 141 CO 0.17 -0.49 -0.04 0.42 -0.92 0.00 0.00 175.35 174.50 3eej s ILE 142 N 2.21 3.94 -0.08 2.17 1.01 0.48 -1.24 121.20 129.69 3eej s ILE 142 Ca 0.16 -0.36 0.02 0.00 0.00 0.00 0.00 60.65 60.47 3eej s ILE 142 Cb -0.16 -2.69 0.02 0.00 0.01 0.00 0.00 42.46 39.63 3eej s ILE 142 CO 0.12 0.53 -0.12 -0.04 0.00 0.00 0.00 174.94 175.43 3eej s MET 143 N -0.09 1.72 0.24 2.79 -1.94 0.19 -0.10 119.30 122.10 3eej s MET 143 Ca 0.02 -0.40 -0.30 0.00 -1.71 0.00 0.00 55.69 53.30 3eej s MET 143 Cb -0.13 -1.48 -0.10 0.00 2.01 0.00 0.00 34.83 35.13 3eej s MET 143 CO 0.02 -0.03 1.51 -2.14 -0.01 0.00 0.00 175.02 174.37 3eej s PRO 144 N 0.86 4.22 0.88 2.03 0.02 -1.26 -1.19 135.00 140.56 3eej s PRO 144 Ca -0.11 2.38 -0.11 0.00 0.02 0.00 0.00 61.00 63.18 3eej s PRO 144 Cb -0.15 -3.10 0.12 0.00 0.02 0.00 0.00 34.50 31.39 3eej s PRO 144 CO 0.01 -0.52 1.10 -0.51 -0.33 0.00 0.00 177.00 176.76 3eej s LEU 145 N 0.02 2.51 0.34 -5.54 2.01 0.09 -4.84 118.68 113.27 3eej s LEU 145 Ca 0.63 1.75 0.13 0.00 0.01 0.00 0.00 54.13 56.65 3eej s LEU 145 Cb -0.44 -4.20 1.01 0.00 0.01 0.00 0.00 46.19 42.57 3eej s LEU 145 CO 0.41 -2.68 1.71 -0.65 1.01 0.00 0.00 176.35 176.14 3eej h PRO 146 N -1.58 0.44 -0.01 1.29 0.11 -1.95 -0.66 132.00 129.64 3eej h PRO 146 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3eej h PRO 146 Cb 1.27 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3eej h PRO 146 CO 0.50 0.29 -0.05 -0.85 -0.21 0.00 0.00 178.00 177.68 3eej n GLU 147 N -4.91 1.24 -2.88 1.05 0.00 -1.26 -4.87 120.64 109.01 3eej n GLU 147 Ca 0.29 -0.58 -0.42 0.00 0.00 0.00 0.00 57.16 56.46 3eej n GLU 147 Cb 0.88 -1.49 -0.04 0.00 0.00 0.00 0.00 31.44 30.79 3eej n GLU 147 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 3eej s THR 148 N -2.16 4.84 -0.46 3.84 2.01 -0.26 -5.02 115.64 118.44 3eej s THR 148 Ca 0.36 1.60 -0.41 0.00 0.31 0.00 0.00 61.69 63.55 3eej s THR 148 Cb 0.21 -4.13 -0.18 0.00 0.01 0.00 0.00 72.50 68.41 3eej s THR 148 CO 0.39 -0.05 1.77 0.41 -0.69 0.00 0.00 174.62 176.45 3eej n THR 149 N 5.13 0.00 -1.78 -0.82 -1.04 -1.26 -4.78 114.28 109.73 3eej n THR 149 Ca 0.05 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.64 3eej n THR 149 Cb 0.48 -0.46 -0.03 0.00 -1.82 0.00 0.00 70.33 68.50 3eej n THR 149 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 3eej s ILE 150 N 4.43 3.05 0.62 12.58 1.01 -1.26 -4.98 121.20 136.65 3eej s ILE 150 Ca 1.05 0.22 -0.16 0.00 0.00 0.00 0.00 60.65 61.75 3eej s ILE 150 Cb -1.37 -3.14 -0.02 0.00 0.01 0.00 0.00 42.46 37.93 3eej s ILE 150 CO 0.66 -0.01 1.11 -2.16 0.00 0.00 0.00 174.94 174.54 3eej s PRO 151 N 3.88 3.01 0.37 2.79 0.04 -1.26 -5.00 135.00 138.82 3eej s PRO 151 Ca 0.82 1.45 -0.27 0.00 0.04 0.00 0.00 61.00 63.04 3eej s PRO 151 Cb -0.41 -1.97 -0.09 0.00 0.04 0.00 0.00 34.50 32.06 3eej s PRO 151 CO 0.37 -1.10 1.27 -1.14 0.04 0.00 0.00 177.00 176.45 3eej s GLN 152 N -3.83 4.19 0.03 4.56 0.74 -1.26 -5.06 119.66 119.03 3eej s GLN 152 Ca 0.69 2.12 -0.02 0.00 0.05 0.00 0.00 55.36 58.19 3eej s GLN 152 Cb -0.21 -2.91 -0.02 0.00 1.10 0.00 0.00 33.01 30.97 3eej s GLN 152 CO 0.36 -0.30 0.02 -1.64 -0.55 0.00 0.00 175.29 173.18 3eej s MET 153 N -2.01 0.44 0.00 1.67 -1.94 -1.26 -4.66 119.30 111.54 3eej s MET 153 Ca 0.53 -0.73 0.00 0.00 -1.71 0.00 0.00 55.69 53.78 3eej s MET 153 Cb -0.37 0.16 0.00 0.00 2.01 0.00 0.00 34.83 36.63 3eej s MET 153 CO 0.49 -0.09 0.18 -0.40 -0.01 0.00 0.00 175.02 175.19 3eej n ASP 154 N 1.13 0.19 -3.89 3.03 5.68 0.58 -4.96 116.55 118.31 3eej n ASP 154 Ca -0.21 -1.03 -0.16 0.00 -0.50 0.00 0.00 54.79 52.89 3eej n ASP 154 Cb 0.57 0.00 -0.15 0.00 -1.14 0.00 0.00 41.12 40.40 3eej n ASP 154 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3eej s THR 155 N -0.03 0.27 0.01 2.12 2.01 -0.93 -4.98 115.64 114.11 3eej s THR 155 Ca 0.00 -0.07 0.01 0.00 0.31 0.00 0.00 61.69 61.95 3eej s THR 155 Cb 0.00 -0.29 -0.01 0.00 0.01 0.00 0.00 72.50 72.21 3eej s THR 155 CO 0.00 0.12 -0.05 -0.36 -0.69 0.00 0.00 174.62 173.63 3eej s PHE 156 N 0.39 0.46 0.54 4.92 0.08 -1.26 0.11 117.98 123.22 3eej s PHE 156 Ca -0.04 -0.24 -0.19 0.00 0.12 0.00 0.00 56.93 56.59 3eej s PHE 156 Cb -0.07 -0.29 -0.06 0.00 -0.57 0.00 0.00 43.02 42.03 3eej s PHE 156 CO -0.01 -0.04 1.06 -1.17 -0.10 0.00 0.00 175.22 174.96 3eej s LEU 157 N -0.66 3.71 -0.99 -0.37 2.96 0.49 -4.91 118.68 118.90 3eej s LEU 157 Ca -0.03 1.95 -0.17 0.00 -0.22 0.00 0.00 54.13 55.66 3eej s LEU 157 Cb -0.05 -4.56 0.15 0.00 0.50 0.00 0.00 46.19 42.24 3eej s LEU 157 CO -0.00 -1.01 1.16 -1.10 -1.32 0.00 0.00 176.35 174.08 3eej s GLN 158 N -3.52 3.73 0.39 1.98 -0.21 -1.26 -4.82 119.66 115.95 3eej s GLN 158 Ca 0.67 -2.05 0.06 0.00 0.02 0.00 0.00 55.36 54.06 3eej s GLN 158 Cb -0.18 -4.89 0.81 0.00 1.00 0.00 0.00 33.01 29.75 3eej s GLN 158 CO 0.27 -1.71 2.03 -0.22 -2.12 0.00 0.00 175.29 173.54 3eej h LYS 159 N 8.30 0.62 0.09 2.91 3.64 -1.93 -1.78 116.57 128.41 3eej h LYS 159 Ca 0.19 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.53 3eej h LYS 159 Cb 0.99 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.67 3eej h LYS 159 CO 1.10 0.41 -0.04 0.37 -2.27 0.00 0.00 179.45 179.02 3eej h GLN 160 N 0.64 -0.11 -0.60 1.90 5.75 -1.99 -0.98 115.11 119.71 3eej h GLN 160 Ca 0.20 0.01 -0.10 0.00 -0.15 0.00 0.00 58.65 58.60 3eej h GLN 160 Cb 0.01 0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.56 3eej h GLN 160 CO -0.05 0.10 -0.02 0.93 -2.65 0.00 0.00 178.83 177.14 3eej h GLU 161 N -0.30 1.07 -0.26 1.69 3.07 -1.92 -1.46 114.58 116.47 3eej h GLU 161 Ca -0.01 -0.35 0.06 0.00 -0.50 0.00 0.00 59.36 58.56 3eej h GLU 161 Cb 0.26 -0.09 -0.08 0.00 -0.84 0.00 0.00 28.75 28.00 3eej h GLU 161 CO 0.02 1.05 -0.30 1.25 -1.40 0.00 0.00 179.01 179.63 3eej h LEU 162 N 0.97 -0.98 -0.76 1.33 5.85 -1.26 -2.71 115.31 117.76 3eej h LEU 162 Ca 0.17 0.16 -0.10 0.00 0.84 0.00 0.00 57.88 58.95 3eej h LEU 162 Cb 0.58 0.44 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 3eej h LEU 162 CO 0.03 -0.33 -0.47 -0.33 -0.34 0.00 0.00 178.44 177.01 3eej h GLU 163 N -0.31 0.00 -0.73 1.25 5.08 -0.85 0.51 114.58 119.54 3eej h GLU 163 Ca 0.13 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 3eej h GLU 163 Cb 0.52 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.74 3eej h GLU 163 CO -0.43 0.47 0.41 1.96 -1.00 0.00 0.00 179.01 180.42 3eej h GLN 164 N 0.00 1.00 0.00 2.33 4.20 -1.23 -3.36 115.11 118.04 3eej h GLN 164 Ca -0.00 -0.11 -0.07 0.00 0.06 0.00 0.00 58.65 58.53 3eej h GLN 164 Cb 1.03 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.60 3eej h GLN 164 CO 0.06 0.74 -2.01 0.54 -0.67 0.00 0.00 178.83 177.49 3eej n ARG 165 N -4.49 0.67 -4.27 1.46 1.74 -1.03 -4.95 116.66 105.80 3eej n ARG 165 Ca 0.06 -0.15 -0.19 0.00 -0.77 0.00 0.00 57.85 56.80 3eej n ARG 165 Cb 0.08 -1.49 -0.11 0.00 -1.02 0.00 0.00 32.46 29.92 3eej n ARG 165 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3eej s PHE 166 N -3.23 1.51 0.29 -1.55 0.40 0.15 -1.18 117.98 114.36 3eej s PHE 166 Ca -0.08 -0.54 0.11 0.00 -0.60 0.00 0.00 56.93 55.82 3eej s PHE 166 Cb 0.12 -0.77 -0.05 0.00 0.51 0.00 0.00 43.02 42.82 3eej s PHE 166 CO 0.84 0.19 -0.17 1.52 0.70 0.00 0.00 175.22 178.30 3eej s TYR 167 N -2.20 2.28 -0.53 0.36 1.13 0.61 -4.47 117.35 114.52 3eej s TYR 167 Ca 0.11 -0.38 -0.28 0.00 -1.41 0.00 0.00 57.07 55.11 3eej s TYR 167 Cb -0.05 -1.06 0.02 0.00 -1.10 0.00 0.00 41.96 39.78 3eej s TYR 167 CO 0.04 0.67 1.28 0.34 -2.51 0.00 0.00 175.55 175.36 3eej s ASP 168 N -3.52 6.38 -0.36 -0.18 -1.08 -1.26 -1.12 116.67 115.52 3eej s ASP 168 Ca 0.30 0.33 0.07 0.00 -0.52 0.00 0.00 52.55 52.73 3eej s ASP 168 Cb -0.03 -2.55 0.60 0.00 -1.46 0.00 0.00 42.92 39.48 3eej s ASP 168 CO 0.15 -1.49 1.70 -3.20 0.52 0.00 0.00 175.17 172.84 3eej n ASN 169 N 8.70 3.29 0.31 -0.34 5.15 0.34 -4.74 115.26 127.95 3eej n ASN 169 Ca 0.11 -3.63 0.19 0.00 -0.60 0.00 0.00 54.58 50.66 3eej n ASN 169 Cb 0.49 -0.73 0.94 0.00 -0.53 0.00 0.00 39.78 39.95 3eej n ASN 169 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 3eej h SER 170 N 1.17 0.00 -0.40 1.20 0.02 -1.84 0.21 113.55 113.91 3eej h SER 170 Ca 0.40 0.00 0.12 0.00 -0.84 0.00 0.00 61.79 61.47 3eej h SER 170 Cb 2.25 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 64.78 3eej h SER 170 CO 0.73 0.01 0.45 0.44 -1.14 0.00 0.00 176.83 177.32 3eej h ASP 171 N 0.00 0.00 -0.51 3.07 3.45 -1.90 -1.81 116.42 118.72 3eej h ASP 171 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3eej h ASP 171 Cb 0.25 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.02 3eej h ASP 171 CO 0.00 0.00 0.00 0.29 -1.57 0.00 0.00 179.24 177.96 3eej n LYS 172 N -3.69 2.77 -0.04 3.56 4.76 0.73 -4.65 118.16 121.61 3eej n LYS 172 Ca 0.07 -2.30 -0.08 0.00 -2.87 0.00 0.00 58.31 53.13 3eej n LYS 172 Cb 0.62 -1.40 -0.02 0.00 -1.84 0.00 0.00 35.03 32.38 3eej n LYS 172 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 3eej h LEU 173 N 3.04 -0.27 -0.36 -0.35 5.85 -1.39 -2.11 115.31 119.72 3eej h LEU 173 Ca 0.00 0.07 0.07 0.00 0.84 0.00 0.00 57.88 58.86 3eej h LEU 173 Cb 0.84 0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.97 3eej h LEU 173 CO 0.00 -0.10 -0.02 0.58 -0.34 0.00 0.00 178.44 178.55 3eej h VAL 174 N -0.04 0.70 -0.36 1.05 2.07 -1.82 -1.68 116.25 116.16 3eej h VAL 174 Ca 0.11 -0.02 0.01 0.00 0.82 0.00 0.00 66.70 67.61 3eej h VAL 174 Cb 0.20 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 3eej h VAL 174 CO -0.24 0.01 0.24 0.44 0.02 0.00 0.00 177.57 178.05 3eej h ASP 175 N 0.07 0.39 0.49 0.57 3.32 -1.84 -2.89 116.42 116.53 3eej h ASP 175 Ca 0.18 -0.01 -0.20 0.00 0.02 0.00 0.00 57.03 57.02 3eej h ASP 175 Cb 0.25 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 3eej h ASP 175 CO -0.32 0.28 -0.86 0.15 -1.72 0.00 0.00 179.24 176.77 3eej h PHE 176 N 0.46 0.38 -4.14 4.55 3.57 -0.63 -3.46 116.94 117.66 3eej h PHE 176 Ca 0.14 -0.20 -0.48 0.00 3.53 0.00 0.00 57.97 60.96 3eej h PHE 176 Cb 0.00 -0.05 0.04 0.00 2.79 0.00 0.00 35.95 38.74 3eej h PHE 176 CO -0.00 1.00 0.38 -0.51 -2.23 0.00 0.00 178.31 176.95 3eej s LEU 177 N -7.56 3.67 0.31 0.59 1.43 -0.78 -4.97 118.68 111.36 3eej s LEU 177 Ca -0.04 1.84 -0.28 0.00 -1.03 0.00 0.00 54.13 54.62 3eej s LEU 177 Cb 0.10 -4.54 -0.13 0.00 0.03 0.00 0.00 46.19 41.64 3eej s LEU 177 CO 0.83 -0.92 1.05 -0.81 0.23 0.00 0.00 176.35 176.74 3eej n PRO 178 N -1.49 1.48 0.00 1.29 -0.04 -1.26 -4.75 135.00 130.23 3eej n PRO 178 Ca 0.09 0.52 0.12 0.00 -0.04 0.00 0.00 63.50 64.18 3eej n PRO 178 Cb 0.53 -1.94 0.69 0.00 -0.04 0.00 0.00 33.50 32.73 3eej n PRO 178 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3eej n SER 179 N 1.09 0.00 -0.27 3.54 3.41 -1.26 -2.18 113.62 117.95 3eej n SER 179 Ca 0.09 -0.76 0.04 0.00 -0.26 0.00 0.00 58.87 57.98 3eej n SER 179 Cb 0.33 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.30 3eej n SER 179 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3eej n SER 180 N -0.99 1.40 -4.77 4.04 3.41 -1.26 -4.98 113.62 110.48 3eej n SER 180 Ca 0.17 -1.20 -0.38 0.00 -0.26 0.00 0.00 58.87 57.20 3eej n SER 180 Cb 0.08 0.24 -0.01 0.00 -0.26 0.00 0.00 64.21 64.26 3eej n SER 180 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 3eej s ILE 181 N -0.98 3.03 -0.04 -1.33 2.07 -0.93 -5.04 121.20 117.99 3eej s ILE 181 Ca 0.09 0.87 0.06 0.00 -1.41 0.00 0.00 60.65 60.25 3eej s ILE 181 Cb 0.07 -3.48 -0.01 0.00 0.13 0.00 0.00 42.46 39.16 3eej s ILE 181 CO 0.16 0.08 -0.21 -1.10 -1.91 0.00 0.00 174.94 171.96 3eej s GLN 182 N -2.33 1.92 -0.03 3.50 -0.21 -1.26 -5.04 119.66 116.21 3eej s GLN 182 Ca 0.58 -0.74 0.03 0.00 0.02 0.00 0.00 55.36 55.25 3eej s GLN 182 Cb -0.32 -1.73 -0.03 0.00 1.00 0.00 0.00 33.01 31.93 3eej s GLN 182 CO 0.40 0.36 -0.09 -0.51 -2.12 0.00 0.00 175.29 173.33 3eej s LEU 183 N -0.23 3.04 0.09 2.90 2.01 -1.26 -5.02 118.68 120.22 3eej s LEU 183 Ca 0.01 -0.13 0.01 0.00 0.01 0.00 0.00 54.13 54.03 3eej s LEU 183 Cb -0.11 -1.70 -0.25 0.00 0.01 0.00 0.00 46.19 44.15 3eej s LEU 183 CO 0.01 0.32 1.20 -0.33 1.01 0.00 0.00 176.35 178.56 3eej h GLU 184 N 4.94 0.15 -7.02 1.70 5.08 -1.98 -3.47 114.58 113.98 3eej h GLU 184 Ca -0.48 -0.25 -0.40 0.00 -1.00 0.00 0.00 59.36 57.23 3eej h GLU 184 Cb 1.17 0.09 0.22 0.00 0.50 0.00 0.00 28.75 30.73 3eej h GLU 184 CO 0.52 1.11 -0.12 0.41 -1.00 0.00 0.00 179.01 179.93 3eej n GLY 185 N 1.45 -2.87 0.00 -3.84 0.00 -1.26 -5.02 105.19 93.66 3eej n GLY 185 Ca -0.05 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.58 3eej n GLY 185 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3eej n ARG 186 N -5.23 0.00 -4.04 1.61 1.85 -1.26 -4.93 116.66 104.66 3eej n ARG 186 Ca 0.06 0.00 -0.35 0.00 -1.00 0.00 0.00 57.85 56.56 3eej n ARG 186 Cb 0.56 0.00 -0.09 0.00 -1.05 0.00 0.00 32.46 31.89 3eej n ARG 186 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 3eej s LEU 187 N 0.00 3.94 -0.28 2.89 2.96 -1.26 -4.37 118.68 122.57 3eej s LEU 187 Ca 0.00 0.21 -0.12 0.00 -0.22 0.00 0.00 54.13 54.00 3eej s LEU 187 Cb 0.00 -1.97 0.10 0.00 0.50 0.00 0.00 46.19 44.83 3eej s LEU 187 CO 0.00 0.28 0.63 -0.89 -1.32 0.00 0.00 176.35 175.05 3eej s THR 188 N -0.29 -0.56 -0.21 3.68 2.01 -0.97 -4.96 115.64 114.33 3eej s THR 188 Ca 0.09 0.02 -0.03 0.00 0.31 0.00 0.00 61.69 62.08 3eej s THR 188 Cb -0.12 -0.94 -0.00 0.00 0.01 0.00 0.00 72.50 71.44 3eej s THR 188 CO 0.01 0.01 -0.07 -0.44 -0.69 0.00 0.00 174.62 173.44 3eej s SER 189 N 2.34 4.07 -0.03 3.53 0.01 -1.26 -1.98 113.70 120.39 3eej s SER 189 Ca -0.07 -0.44 0.03 0.00 1.31 0.00 0.00 55.95 56.78 3eej s SER 189 Cb -0.09 -1.69 0.00 0.00 0.21 0.00 0.00 66.02 64.45 3eej s SER 189 CO -0.18 -0.01 -0.10 -1.58 0.41 0.00 0.00 173.24 171.78 3eej s GLN 190 N 1.42 1.04 0.14 12.44 2.00 0.51 -4.97 119.66 132.25 3eej s GLN 190 Ca 0.05 -0.33 -0.30 0.00 -2.00 0.00 0.00 55.36 52.79 3eej s GLN 190 Cb -0.14 -0.96 -0.07 0.00 0.80 0.00 0.00 33.01 32.64 3eej s GLN 190 CO -0.05 0.12 0.98 -2.00 -0.50 0.00 0.00 175.29 173.84 3eej s GLU 191 N 0.21 4.70 -0.18 1.67 2.12 -1.26 -0.51 118.70 125.45 3eej s GLU 191 Ca -0.04 1.51 -0.04 0.00 0.36 0.00 0.00 54.97 56.76 3eej s GLU 191 Cb -0.09 -3.34 0.08 0.00 0.26 0.00 0.00 34.13 31.04 3eej s GLU 191 CO 0.01 0.24 0.19 -0.46 -0.54 0.00 0.00 175.26 174.69 3eej s TRP 192 N -0.23 -0.18 -1.27 5.30 -0.00 -0.01 -4.94 118.94 117.61 3eej s TRP 192 Ca 0.46 0.18 -0.16 0.00 -0.00 0.00 0.00 56.10 56.58 3eej s TRP 192 Cb -0.25 -0.41 0.01 0.00 -0.00 0.00 0.00 33.47 32.82 3eej s TRP 192 CO 0.31 -0.55 0.58 0.09 -0.00 0.00 0.00 176.95 177.38 3eej n ASN 193 N 5.31 -2.95 -4.35 5.86 5.03 -1.26 -1.68 115.26 121.22 3eej n ASN 193 Ca -0.06 -1.10 -0.46 0.00 0.87 0.00 0.00 54.58 53.83 3eej n ASN 193 Cb 0.49 -2.73 -0.01 0.00 -1.02 0.00 0.00 39.78 36.51 3eej n ASN 193 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 3eej s GLY 194 N -3.84 2.79 0.17 7.41 0.00 -1.26 -5.06 107.32 107.54 3eej s GLY 194 Ca 0.29 -3.47 -0.01 0.00 0.00 0.00 0.00 44.72 41.54 3eej s GLY 194 CO 0.91 1.40 0.35 -1.83 0.00 0.00 0.00 173.10 173.94 3eej s GLU 195 N -0.05 3.51 -0.06 2.90 -1.05 -0.67 -5.09 118.70 118.19 3eej s GLU 195 Ca 0.26 -0.36 -0.30 0.00 -0.15 0.00 0.00 54.97 54.42 3eej s GLU 195 Cb -0.09 -2.88 -0.03 0.00 -0.44 0.00 0.00 34.13 30.69 3eej s GLU 195 CO -0.08 0.45 1.21 -1.17 0.95 0.00 0.00 175.26 176.62 3eej s LEU 196 N -3.15 4.28 -0.13 1.83 2.96 -1.26 -0.83 118.68 122.37 3eej s LEU 196 Ca 0.38 1.82 0.02 0.00 -0.22 0.00 0.00 54.13 56.13 3eej s LEU 196 Cb -0.11 -3.56 0.01 0.00 0.50 0.00 0.00 46.19 43.03 3eej s LEU 196 CO 0.28 -0.60 -0.19 -0.69 -1.32 0.00 0.00 176.35 173.83 3eej s VAL 197 N 2.27 1.86 -0.08 1.68 1.01 0.33 -4.97 120.40 122.51 3eej s VAL 197 Ca 0.56 -0.85 -0.03 0.00 0.00 0.00 0.00 61.98 61.66 3eej s VAL 197 Cb -0.25 -1.66 0.04 0.00 0.00 0.00 0.00 36.38 34.51 3eej s VAL 197 CO 0.22 0.51 0.17 -0.75 0.00 0.00 0.00 175.10 175.24 3eej s LYS 198 N 0.94 0.09 0.00 2.72 2.20 -1.25 -0.36 119.74 124.08 3eej s LYS 198 Ca -0.05 0.47 0.00 0.00 -0.36 0.00 0.00 55.97 56.02 3eej s LYS 198 Cb -0.15 -0.19 0.00 0.00 -1.51 0.00 0.00 37.83 35.98 3eej s LYS 198 CO -0.03 -0.21 0.00 0.41 -0.36 0.00 0.00 175.35 175.15 3eej n GLY 199 N 4.61 0.42 2.71 5.54 0.00 -0.84 -4.61 105.19 113.02 3eej n GLY 199 Ca -0.19 -1.29 -0.30 0.00 0.00 0.00 0.00 46.02 44.24 3eej n GLY 199 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3eej s LEU 200 N 0.00 1.98 0.03 0.99 1.43 -0.79 -2.28 118.68 120.04 3eej s LEU 200 Ca 0.00 -1.54 -0.14 0.00 -1.03 0.00 0.00 54.13 51.42 3eej s LEU 200 Cb 0.00 -0.79 -0.06 0.00 0.03 0.00 0.00 46.19 45.37 3eej s LEU 200 CO 0.00 -0.41 0.43 -2.16 0.23 0.00 0.00 176.35 174.44 3eej s PRO 201 N 1.69 3.91 0.04 1.29 0.04 -1.26 -1.68 135.00 139.03 3eej s PRO 201 Ca 0.09 0.39 -0.04 0.00 0.04 0.00 0.00 61.00 61.48 3eej s PRO 201 Cb -0.17 -3.15 -0.02 0.00 0.04 0.00 0.00 34.50 31.20 3eej s PRO 201 CO -0.25 0.64 0.06 0.54 0.04 0.00 0.00 177.00 178.03 3eej s VAL 202 N -1.18 0.15 -0.05 -0.36 0.11 0.26 -4.09 120.40 115.24 3eej s VAL 202 Ca 0.27 -1.26 0.05 0.00 -2.93 0.00 0.00 61.98 58.12 3eej s VAL 202 Cb -0.16 -1.03 -0.01 0.00 -1.53 0.00 0.00 36.38 33.65 3eej s VAL 202 CO 0.15 -0.70 -0.21 -1.58 -3.33 0.00 0.00 175.10 169.43 3eej s GLN 203 N -2.94 2.14 -0.23 1.54 0.74 -1.26 0.81 119.66 120.46 3eej s GLN 203 Ca -0.02 -0.77 -0.20 0.00 0.05 0.00 0.00 55.36 54.42 3eej s GLN 203 Cb 0.01 -1.86 0.06 0.00 1.10 0.00 0.00 33.01 32.32 3eej s GLN 203 CO -0.06 0.34 0.59 -2.00 -0.55 0.00 0.00 175.29 173.61 3eej s GLU 204 N -0.13 0.68 1.74 1.67 2.12 -0.50 -5.02 118.70 119.26 3eej s GLU 204 Ca -0.02 0.85 0.00 0.00 0.36 0.00 0.00 54.97 56.16 3eej s GLU 204 Cb -0.12 0.31 0.00 0.00 0.26 0.00 0.00 34.13 34.58 3eej s GLU 204 CO 0.02 -0.09 0.00 1.63 -0.54 0.00 0.00 175.26 176.28 3eej n LYS 205 N 2.92 0.00 -0.38 4.30 5.02 -1.26 -1.66 118.16 127.11 3eej n LYS 205 Ca -0.14 0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.22 3eej n LYS 205 Cb 0.56 0.00 0.24 0.00 -0.02 0.00 0.00 35.03 35.81 3eej n LYS 205 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3eej n GLY 206 N 0.00 1.76 3.35 0.72 0.00 -1.26 -4.93 105.19 104.83 3eej n GLY 206 Ca 0.00 -0.58 -0.29 0.00 0.00 0.00 0.00 46.02 45.15 3eej n GLY 206 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3eej s TYR 207 N -1.61 2.23 -0.13 1.61 2.02 -0.66 -0.73 117.35 120.08 3eej s TYR 207 Ca 0.35 -0.40 -0.03 0.00 -0.37 0.00 0.00 57.07 56.62 3eej s TYR 207 Cb 0.21 -1.27 -0.03 0.00 -0.40 0.00 0.00 41.96 40.47 3eej s TYR 207 CO 0.19 0.22 -0.01 1.14 -1.57 0.00 0.00 175.55 175.53 3eej s GLN 208 N -1.65 3.43 0.04 -0.62 -2.07 -0.34 -1.42 119.66 117.04 3eej s GLN 208 Ca 0.12 -0.45 0.00 0.00 -1.82 0.00 0.00 55.36 53.22 3eej s GLN 208 Cb -0.10 -2.91 -0.03 0.00 -1.09 0.00 0.00 33.01 28.88 3eej s GLN 208 CO 0.04 0.44 -0.04 -0.59 -1.32 0.00 0.00 175.29 173.82 3eej s PHE 209 N -0.16 0.45 -0.10 9.60 -0.71 0.24 -0.64 117.98 126.66 3eej s PHE 209 Ca 0.04 -0.71 0.02 0.00 -1.04 0.00 0.00 56.93 55.24 3eej s PHE 209 Cb -0.13 -0.31 0.01 0.00 -1.21 0.00 0.00 43.02 41.39 3eej s PHE 209 CO 0.02 -0.23 -0.14 0.71 -1.34 0.00 0.00 175.22 174.25 3eej s TYR 210 N -2.34 1.80 -0.08 3.49 4.12 -0.37 0.90 117.35 124.87 3eej s TYR 210 Ca -0.06 -0.81 -0.30 0.00 0.02 0.00 0.00 57.07 55.92 3eej s TYR 210 Cb -0.04 -1.32 -0.04 0.00 -1.52 0.00 0.00 41.96 39.05 3eej s TYR 210 CO -0.04 -0.43 1.39 -0.06 0.02 0.00 0.00 175.55 176.44 3eej s PHE 211 N 0.96 2.67 0.20 2.71 0.08 -0.67 0.09 117.98 124.01 3eej s PHE 211 Ca -0.08 0.77 0.05 0.00 0.12 0.00 0.00 56.93 57.79 3eej s PHE 211 Cb -0.15 -3.64 -0.05 0.00 -0.57 0.00 0.00 43.02 38.61 3eej s PHE 211 CO -0.01 -2.40 -0.06 0.95 -0.10 0.00 0.00 175.22 173.60 3eej s THR 212 N 3.21 1.26 -0.07 0.64 -4.23 -0.61 -1.88 115.64 113.95 3eej s THR 212 Ca 0.62 -2.08 0.02 0.00 -1.18 0.00 0.00 61.69 59.07 3eej s THR 212 Cb -0.27 -2.14 0.02 0.00 1.34 0.00 0.00 72.50 71.44 3eej s THR 212 CO 0.22 -0.51 -0.11 -0.22 -0.54 0.00 0.00 174.62 173.46 3eej s LEU 213 N -3.28 1.57 -0.05 4.79 2.96 -1.26 -1.95 118.68 121.46 3eej s LEU 213 Ca 0.24 -0.29 0.04 0.00 -0.22 0.00 0.00 54.13 53.89 3eej s LEU 213 Cb 0.03 -0.81 -0.03 0.00 0.50 0.00 0.00 46.19 45.89 3eej s LEU 213 CO 0.06 0.01 -0.15 -0.31 -1.32 0.00 0.00 176.35 174.64 3eej s TYR 214 N 0.82 2.69 0.06 5.38 2.02 0.16 0.12 117.35 128.60 3eej s TYR 214 Ca -0.12 -0.17 0.05 0.00 -0.37 0.00 0.00 57.07 56.46 3eej s TYR 214 Cb -0.15 -1.63 -0.03 0.00 -0.40 0.00 0.00 41.96 39.76 3eej s TYR 214 CO 0.02 0.18 -0.15 0.99 -1.57 0.00 0.00 175.55 175.02 3eej s THR 215 N -0.72 1.15 0.31 -0.71 2.01 -0.28 -0.40 115.64 117.00 3eej s THR 215 Ca 0.11 -1.20 -0.30 0.00 0.31 0.00 0.00 61.69 60.62 3eej s THR 215 Cb -0.11 -1.08 -0.12 0.00 0.01 0.00 0.00 72.50 71.21 3eej s THR 215 CO 0.00 -0.12 1.58 1.17 -0.69 0.00 0.00 174.62 176.56 3eej n LYS 216 N 1.52 2.69 -1.23 4.92 4.81 -1.16 -0.29 118.16 129.43 3eej n LYS 216 Ca -0.20 0.95 -0.31 0.00 -0.87 0.00 0.00 58.31 57.89 3eej n LYS 216 Cb 0.54 -2.73 0.10 0.00 0.02 0.00 0.00 35.03 32.96 3eej n LYS 216 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 3eej s LYS 217 N -0.76 2.17 0.56 1.64 1.02 -0.32 -4.76 119.74 119.29 3eej s LYS 217 Ca 0.62 1.20 -0.19 0.00 0.02 0.00 0.00 55.97 57.63 3eej s LYS 217 Cb -0.49 -1.89 -0.05 0.00 -0.52 0.00 0.00 37.83 34.88 3eej s LYS 217 CO 0.51 -1.71 1.13 -0.51 -0.92 0.00 0.00 175.35 173.85 3eej s LEU 218 N -5.95 3.69 -0.06 3.17 1.02 -1.26 -5.01 118.68 114.28 3eej s LEU 218 Ca 0.62 2.16 0.04 0.00 0.02 0.00 0.00 54.13 56.97 3eej s LEU 218 Cb -0.18 -4.58 -0.00 0.00 0.02 0.00 0.00 46.19 41.45 3eej s LEU 218 CO 0.56 -1.30 -0.20 -1.61 0.02 0.00 0.00 176.35 173.82 3eej s GLU 219 N -3.40 2.25 0.81 1.70 2.02 -1.26 -5.13 118.70 115.68 3eej s GLU 219 Ca 0.72 -0.72 -0.12 0.00 0.02 0.00 0.00 54.97 54.87 3eej s GLU 219 Cb -0.24 -1.86 0.08 0.00 0.10 0.00 0.00 34.13 32.22 3eej s GLU 219 CO 0.29 0.24 1.14 -1.01 0.02 0.00 0.00 175.26 175.95 3eej s HIS 220 N 0.12 2.08 -0.64 1.61 3.76 -1.26 -4.99 115.29 115.97 3eej s HIS 220 Ca -0.08 1.66 -0.17 0.00 -0.15 0.00 0.00 55.06 56.32 3eej s HIS 220 Cb -0.14 -3.28 0.14 0.00 1.11 0.00 0.00 32.58 30.41 3eej s HIS 220 CO 0.04 -2.38 0.66 -1.58 -0.85 0.00 0.00 174.74 170.64 3eej s HIS 221 N -2.53 3.25 -0.19 1.40 2.46 -1.26 -4.87 115.29 113.55 3eej s HIS 221 Ca 0.67 -1.32 -0.06 0.00 0.47 0.00 0.00 55.06 54.82 3eej s HIS 221 Cb -0.22 -3.91 -0.21 0.00 -0.13 0.00 0.00 32.58 28.11 3eej s HIS 221 CO 0.53 -1.14 0.07 0.72 -2.47 0.00 0.00 174.74 172.45 3eej n HIS 222 N 5.46 0.67 -3.62 3.88 8.25 -1.26 -5.01 115.22 123.60 3eej n HIS 222 Ca -0.05 0.17 -0.15 0.00 -0.26 0.00 0.00 57.72 57.44 3eej n HIS 222 Cb 0.43 -1.08 -0.07 0.00 1.12 0.00 0.00 29.99 30.38 3eej n HIS 222 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3eej s HIS 223 N -2.52 -0.71 -0.11 4.41 5.65 -1.26 -5.14 115.29 115.62 3eej s HIS 223 Ca -0.29 1.62 0.01 0.00 0.25 0.00 0.00 55.06 56.64 3eej s HIS 223 Cb 0.08 0.28 0.02 0.00 -1.18 0.00 0.00 32.58 31.78 3eej s HIS 223 CO 0.66 -0.41 -0.11 -1.58 -0.65 0.00 0.00 174.74 172.65 3eej s HIS 224 N -0.02 1.67 0.04 3.88 2.46 -1.26 -5.11 115.29 116.95 3eej s HIS 224 Ca -0.03 -0.81 -0.32 0.00 0.47 0.00 0.00 55.06 54.37 3eej s HIS 224 Cb -0.04 -1.29 -0.11 0.00 -0.13 0.00 0.00 32.58 31.01 3eej s HIS 224 CO 0.03 -0.49 1.88 1.58 -2.47 0.00 0.00 174.74 175.27 3eej n HIS 225 N 4.59 2.48 -4.32 3.88 -0.00 -1.26 -5.02 115.22 115.58 3eej n HIS 225 Ca -0.16 -0.16 -0.28 0.00 -0.00 0.00 0.00 57.72 57.11 3eej n HIS 225 Cb 0.50 -2.73 -0.11 0.00 -0.00 0.00 0.00 29.99 27.66 3eej n HIS 225 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 3eej s HIS 226 N 3.55 2.53 -2.19 1.57 3.76 -1.26 -5.34 115.29 117.90 3eej s HIS 226 Ca 0.87 -0.27 0.30 0.00 -0.15 0.00 0.00 55.06 55.82 3eej s HIS 226 Cb -0.53 -1.30 1.58 0.00 1.11 0.00 0.00 32.58 33.44 3eej s HIS 226 CO 0.43 0.44 2.04 0.72 -0.85 0.00 0.00 174.74 177.52