#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 5.03 0.37 3.15 -7.23 -1.26 -5.06 120.40 115.40 3eej s VAL 4 Ca 0.00 1.00 -0.28 0.00 -1.81 0.00 0.00 61.98 60.90 3eej s VAL 4 Cb 0.00 -3.81 -0.10 0.00 0.56 0.00 0.00 36.38 33.03 3eej s VAL 4 CO 0.00 0.45 1.36 -2.84 -0.31 0.00 0.00 175.10 173.77 3eej s PRO 5 N -0.29 4.14 -0.24 4.82 0.02 -1.26 -4.82 135.00 137.36 3eej s PRO 5 Ca 0.26 2.31 -0.06 0.00 0.02 0.00 0.00 61.00 63.53 3eej s PRO 5 Cb -0.17 -2.93 -0.02 0.00 0.02 0.00 0.00 34.50 31.40 3eej s PRO 5 CO 0.14 -0.41 0.04 0.08 -0.33 0.00 0.00 177.00 176.52 3eej s VAL 6 N -1.17 4.09 -0.13 3.83 1.01 -1.26 -1.49 120.40 125.28 3eej s VAL 6 Ca 0.53 -0.25 -0.00 0.00 0.00 0.00 0.00 61.98 62.26 3eej s VAL 6 Cb -0.41 -2.90 0.03 0.00 0.00 0.00 0.00 36.38 33.09 3eej s VAL 6 CO 0.55 0.36 -0.07 -0.69 0.00 0.00 0.00 175.10 175.25 3eej s VAL 7 N 1.56 1.03 0.15 2.92 1.01 0.33 -0.17 120.40 127.23 3eej s VAL 7 Ca 0.06 -0.38 -0.30 0.00 0.00 0.00 0.00 61.98 61.37 3eej s VAL 7 Cb -0.15 -1.10 -0.07 0.00 0.00 0.00 0.00 36.38 35.06 3eej s VAL 7 CO 0.02 0.30 0.98 -0.83 0.00 0.00 0.00 175.10 175.56 3eej s GLY 8 N 1.69 3.01 -0.03 4.51 0.00 -0.73 -0.64 107.32 115.13 3eej s GLY 8 Ca 0.04 0.62 0.01 0.00 0.00 0.00 0.00 44.72 45.39 3eej s GLY 8 CO -0.08 1.43 -0.05 -1.50 0.00 0.00 0.00 173.10 172.90 3eej s ILE 9 N -0.27 0.52 -0.15 0.90 2.07 -0.26 -0.05 121.20 123.96 3eej s ILE 9 Ca 0.46 -0.16 -0.28 0.00 -1.41 0.00 0.00 60.65 59.26 3eej s ILE 9 Cb -0.25 -0.51 0.07 0.00 0.13 0.00 0.00 42.46 41.90 3eej s ILE 9 CO 0.31 0.20 0.71 0.54 -1.91 0.00 0.00 174.94 174.79 3eej s VAL 10 N 0.60 0.00 -0.20 4.00 0.11 -0.51 -4.47 120.40 119.94 3eej s VAL 10 Ca -0.08 0.00 -0.03 0.00 -2.93 0.00 0.00 61.98 58.94 3eej s VAL 10 Cb -0.11 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.73 3eej s VAL 10 CO 0.00 0.00 -0.06 0.00 -3.33 0.00 0.00 175.10 171.71 3eej s ALA 11 N -0.48 2.80 -0.02 1.54 0.00 -1.26 -0.57 121.76 123.78 3eej s ALA 11 Ca -0.06 -1.08 0.03 0.00 0.00 0.00 0.00 51.96 50.85 3eej s ALA 11 Cb -0.02 -1.61 -0.00 0.00 0.00 0.00 0.00 23.12 21.49 3eej s ALA 11 CO 0.06 -0.24 -0.09 0.00 0.00 0.00 0.00 175.76 175.48 3eej s ALA 12 N 1.16 0.83 -0.22 0.00 0.00 0.76 -4.62 121.76 119.67 3eej s ALA 12 Ca 0.02 -0.37 -0.24 0.00 0.00 0.00 0.00 51.96 51.37 3eej s ALA 12 Cb -0.14 -0.26 -0.01 0.00 0.00 0.00 0.00 23.12 22.70 3eej s ALA 12 CO -0.01 0.17 0.79 -1.17 0.00 0.00 0.00 175.76 175.54 3eej s LEU 13 N -0.01 4.11 0.64 0.00 2.96 0.08 -0.23 118.68 126.22 3eej s LEU 13 Ca 0.00 1.03 -0.13 0.00 -0.22 0.00 0.00 54.13 54.81 3eej s LEU 13 Cb -0.06 -3.15 -0.02 0.00 0.50 0.00 0.00 46.19 43.46 3eej s LEU 13 CO 0.00 -0.45 1.05 -0.76 -1.32 0.00 0.00 176.35 174.87 3eej s LEU 14 N 2.52 3.31 0.07 -0.68 1.43 0.32 -0.73 118.68 124.93 3eej s LEU 14 Ca 0.35 1.65 0.25 0.00 -1.03 0.00 0.00 54.13 55.35 3eej s LEU 14 Cb -0.16 -4.51 0.55 0.00 0.03 0.00 0.00 46.19 42.10 3eej s LEU 14 CO 0.09 -1.21 1.46 -0.81 0.23 0.00 0.00 176.35 176.12 3eej n PRO 15 N -2.59 0.16 0.08 1.29 -0.04 -1.26 -4.78 135.00 127.86 3eej n PRO 15 Ca 0.08 0.06 0.13 0.00 -0.04 0.00 0.00 63.50 63.73 3eej n PRO 15 Cb 0.53 -1.61 0.44 0.00 -0.04 0.00 0.00 33.50 32.82 3eej n PRO 15 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3eej n GLU 16 N -1.85 0.21 -3.20 0.54 -0.58 -1.23 -4.94 120.64 109.59 3eej n GLU 16 Ca 0.05 0.17 -0.15 0.00 -0.42 0.00 0.00 57.16 56.80 3eej n GLU 16 Cb 0.39 -1.74 0.07 0.00 -0.57 0.00 0.00 31.44 29.59 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 -2.11 -5.54 -2.42 3.49 2.81 0.09 -4.54 117.12 108.90 3eej n MET 17 Ca 0.06 0.66 -0.39 0.00 -1.81 0.00 0.00 57.70 56.21 3eej n MET 17 Cb 0.41 -5.13 -0.04 0.00 -0.71 0.00 0.00 33.22 27.76 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 -3.78 2.95 0.00 3.03 0.00 -1.01 -0.15 107.32 108.35 3eej s GLY 18 Ca 0.16 0.90 0.00 0.00 0.00 0.00 0.00 44.72 45.78 3eej s GLY 18 CO 0.57 1.45 0.06 0.29 0.00 0.00 0.00 173.10 175.47 3eej n ILE 19 N 0.65 0.00 -3.50 0.90 -5.35 0.63 -0.74 119.36 111.96 3eej n ILE 19 Ca 0.01 -0.22 -0.09 0.00 -0.27 0.00 0.00 62.75 62.18 3eej n ILE 19 Cb 0.46 1.14 -0.02 0.00 -1.74 0.00 0.00 39.64 39.48 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 -0.33 -0.47 -0.24 3.28 0.00 -1.20 -4.45 107.32 103.90 3eej s GLY 20 Ca 0.00 1.04 -0.11 0.00 0.00 0.00 0.00 44.72 45.65 3eej s GLY 20 CO 0.00 0.40 0.56 -0.12 0.00 0.00 0.00 173.10 173.94 3eej s PHE 21 N -2.95 -0.96 -1.68 1.90 5.36 -0.42 -1.56 117.98 117.67 3eej s PHE 21 Ca 0.03 1.85 -0.17 0.00 -0.96 0.00 0.00 56.93 57.68 3eej s PHE 21 Cb -0.01 0.52 0.15 0.00 -0.34 0.00 0.00 43.02 43.34 3eej s PHE 21 CO -0.08 -0.50 0.77 1.04 -1.46 0.00 0.00 175.22 175.00 3eej n GLN 22 N 4.71 -3.25 -0.49 10.12 6.02 -1.26 -1.86 117.38 131.37 3eej n GLN 22 Ca -0.17 0.38 0.00 0.00 -0.01 0.00 0.00 57.00 57.20 3eej n GLN 22 Cb 0.54 -5.08 0.00 0.00 1.02 0.00 0.00 30.24 26.73 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 -1.45 0.74 3.26 1.08 0.00 -1.26 -5.03 105.19 102.54 3eej n GLY 23 Ca 0.05 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.85 1.48 0.38 1.61 0.01 -0.78 -4.75 114.94 110.04 3eej s ASN 24 Ca 0.00 -1.14 -0.27 0.00 -0.71 0.00 0.00 52.86 50.75 3eej s ASN 24 Cb 0.00 0.06 -0.09 0.00 0.41 0.00 0.00 41.25 41.63 3eej s ASN 24 CO 0.00 -0.50 1.25 -0.76 -1.51 0.00 0.00 177.10 175.58 3eej s LEU 25 N -3.19 4.29 0.00 0.60 1.43 -1.26 -1.30 118.68 119.25 3eej s LEU 25 Ca 0.22 2.54 0.23 0.00 -1.03 0.00 0.00 54.13 56.10 3eej s LEU 25 Cb 0.05 -3.85 1.38 0.00 0.03 0.00 0.00 46.19 43.80 3eej s LEU 25 CO 0.04 -0.67 1.84 -2.65 0.23 0.00 0.00 176.35 175.14 3eej n PRO 26 N 0.36 0.93 -3.90 1.29 -0.02 -1.26 -4.79 135.00 127.61 3eej n PRO 26 Ca 0.03 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.41 3eej n PRO 26 Cb 0.44 -1.39 -0.06 0.00 -0.02 0.00 0.00 33.50 32.47 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 0.25 -0.26 6.00 -2.14 -1.26 -4.90 118.94 114.64 3eej s TRP 27 Ca 0.35 -0.62 -0.01 0.00 2.66 0.00 0.00 56.10 58.48 3eej s TRP 27 Cb 0.16 0.07 0.08 0.00 -3.10 0.00 0.00 33.47 30.67 3eej s TRP 27 CO 0.27 -0.77 0.05 0.50 -2.66 0.00 0.00 176.95 174.34 3eej s ARG 28 N -3.94 0.83 -0.25 3.25 6.06 -1.26 -5.09 118.95 118.55 3eej s ARG 28 Ca 0.15 -0.83 0.01 0.00 -2.50 0.00 0.00 55.73 52.55 3eej s ARG 28 Cb 0.02 -2.13 0.07 0.00 0.06 0.00 0.00 34.95 32.97 3eej s ARG 28 CO -0.01 -0.80 -0.02 -0.51 -2.50 0.00 0.00 175.30 171.45 3eej s LEU 29 N 1.66 2.70 0.40 -0.88 1.43 -1.26 -5.00 118.68 117.74 3eej s LEU 29 Ca 0.04 -1.31 0.07 0.00 -1.03 0.00 0.00 54.13 51.89 3eej s LEU 29 Cb -0.17 -1.17 0.82 0.00 0.03 0.00 0.00 46.19 45.70 3eej s LEU 29 CO -0.16 -0.27 2.04 0.00 0.23 0.00 0.00 176.35 178.18 3eej h ALA 30 N 7.94 1.66 -0.02 4.21 0.00 -1.98 -1.37 119.26 129.70 3eej h ALA 30 Ca -0.16 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.54 3eej h ALA 30 Cb 1.06 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 3eej h ALA 30 CO 0.43 0.30 -0.70 0.87 0.00 0.00 0.00 179.25 180.14 3eej h LYS 31 N 0.55 0.09 0.03 0.00 1.57 -1.98 -1.02 116.57 115.81 3eej h LYS 31 Ca 0.15 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3eej h LYS 31 Cb -0.01 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3eej h LYS 31 CO -0.03 0.76 -0.01 1.49 -0.57 0.00 0.00 179.45 181.08 3eej h GLU 32 N 0.06 -0.04 -0.90 3.15 4.22 -1.91 -1.97 114.58 117.19 3eej h GLU 32 Ca -0.01 0.00 0.15 0.00 0.08 0.00 0.00 59.36 59.58 3eej h GLU 32 Cb 1.25 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 30.43 3eej h GLU 32 CO 0.10 0.53 0.58 1.98 -2.18 0.00 0.00 179.01 180.02 3eej h MET 33 N -0.64 0.66 -0.16 1.92 4.05 -1.22 0.35 114.93 119.89 3eej h MET 33 Ca -0.00 -0.04 -0.04 0.00 -0.28 0.00 0.00 59.70 59.33 3eej h MET 33 Cb 0.59 -0.15 -0.00 0.00 -0.80 0.00 0.00 31.60 31.23 3eej h MET 33 CO 0.01 0.44 -0.06 -0.22 0.23 0.00 0.00 176.91 177.30 3eej h LYS 34 N 0.68 0.33 -0.22 0.39 3.64 -1.16 -0.48 116.57 119.75 3eej h LYS 34 Ca 0.46 -0.14 0.06 0.00 -1.27 0.00 0.00 60.65 59.76 3eej h LYS 34 Cb 0.76 -0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.50 3eej h LYS 34 CO -0.22 0.63 -0.24 -0.92 -2.27 0.00 0.00 179.45 176.44 3eej h TYR 35 N 0.01 -0.63 -0.30 1.91 5.03 -0.90 -0.66 116.97 121.43 3eej h TYR 35 Ca 0.04 0.04 0.02 0.00 2.58 0.00 0.00 58.73 61.40 3eej h TYR 35 Cb 0.53 0.31 -0.02 0.00 1.55 0.00 0.00 36.73 39.09 3eej h TYR 35 CO 0.06 -0.32 0.16 0.35 -1.32 0.00 0.00 178.16 177.10 3eej h PHE 36 N -0.25 0.30 0.09 -3.82 3.04 -0.72 -0.67 116.94 114.90 3eej h PHE 36 Ca 0.13 0.01 0.02 0.00 3.98 0.00 0.00 57.97 62.11 3eej h PHE 36 Cb 0.45 -0.09 -0.05 0.00 2.56 0.00 0.00 35.95 38.82 3eej h PHE 36 CO -0.38 0.17 -0.51 -0.09 -2.02 0.00 0.00 178.31 175.48 3eej h ARG 37 N 0.33 -0.69 -0.60 1.11 2.43 -0.94 -2.08 114.38 113.95 3eej h ARG 37 Ca 0.12 0.05 0.03 0.00 -0.81 0.00 0.00 59.98 59.37 3eej h ARG 37 Cb 0.02 0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 29.69 3eej h ARG 37 CO -0.07 -0.46 0.36 0.93 -1.51 0.00 0.00 179.97 179.22 3eej h GLU 38 N -0.72 0.69 -0.13 0.20 5.08 -1.02 -0.69 114.58 117.99 3eej h GLU 38 Ca 0.01 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 3eej h GLU 38 Cb 0.74 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 3eej h GLU 38 CO -0.30 0.45 0.03 0.28 -1.00 0.00 0.00 179.01 178.48 3eej h VAL 39 N 0.71 1.19 0.00 3.13 2.07 -1.05 -0.42 116.25 121.88 3eej h VAL 39 Ca 0.24 -0.59 -0.10 0.00 0.82 0.00 0.00 66.70 67.08 3eej h VAL 39 Cb 0.04 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 3eej h VAL 39 CO -0.11 0.17 -0.46 0.71 0.02 0.00 0.00 177.57 177.90 3eej h THR 40 N 0.01 0.98 0.00 2.57 1.35 -1.36 -3.34 112.91 113.12 3eej h THR 40 Ca 0.04 -1.84 -0.03 0.00 -0.55 0.00 0.00 66.41 64.04 3eej h THR 40 Cb 0.24 2.11 -0.00 0.00 -1.73 0.00 0.00 68.15 68.77 3eej h THR 40 CO -0.00 0.45 -0.19 0.74 -0.25 0.00 0.00 175.52 176.27 3eej h THR 41 N 0.00 0.88 -3.96 6.82 2.02 -1.03 -3.41 112.91 114.23 3eej h THR 41 Ca -0.00 -1.72 -0.54 0.00 0.77 0.00 0.00 66.41 64.92 3eej h THR 41 Cb 1.07 1.73 0.11 0.00 -1.74 0.00 0.00 68.15 69.31 3eej h THR 41 CO 0.06 0.30 0.70 -0.76 0.37 0.00 0.00 175.52 176.19 3eej s LEU 42 N -8.30 4.20 0.14 2.58 1.43 -0.18 -4.56 118.68 113.99 3eej s LEU 42 Ca -0.13 2.89 0.08 0.00 -1.03 0.00 0.00 54.13 55.94 3eej s LEU 42 Cb -0.00 -3.85 -0.04 0.00 0.03 0.00 0.00 46.19 42.33 3eej s LEU 42 CO 0.39 -1.00 -0.18 0.42 0.23 0.00 0.00 176.35 176.20 3eej s THR 43 N -1.19 1.69 0.21 5.49 -4.23 -1.26 -4.84 115.64 111.51 3eej s THR 43 Ca 0.57 -1.79 0.00 0.00 -1.18 0.00 0.00 61.69 59.30 3eej s THR 43 Cb -0.43 -1.71 -0.05 0.00 1.34 0.00 0.00 72.50 71.65 3eej s THR 43 CO 0.56 -0.28 1.53 0.78 -0.54 0.00 0.00 174.62 176.67 3eej h ASN 44 N 3.49 0.45 -3.65 3.99 2.35 -1.96 -3.42 115.58 116.83 3eej h ASN 44 Ca -0.42 -0.25 -0.68 0.00 -0.55 0.00 0.00 56.30 54.40 3eej h ASN 44 Cb 1.20 -0.13 -0.23 0.00 0.05 0.00 0.00 38.32 39.21 3eej h ASN 44 CO 0.48 0.93 -0.55 -0.62 -1.65 0.00 0.00 177.43 176.03 3eej s ASP 45 N -6.91 5.57 0.64 5.81 -1.08 -1.26 -4.97 116.67 114.47 3eej s ASP 45 Ca -0.06 -0.57 0.35 0.00 -0.52 0.00 0.00 52.55 51.76 3eej s ASP 45 Cb 0.12 -2.01 1.96 0.00 -1.46 0.00 0.00 42.92 41.53 3eej s ASP 45 CO 0.82 -0.21 2.17 -0.55 0.52 0.00 0.00 175.17 177.92 3eej h ASN 46 N 8.36 0.00 0.17 -0.34 7.08 -2.03 -0.52 115.58 128.30 3eej h ASN 46 Ca -0.31 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.91 3eej h ASN 46 Cb 1.14 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.38 3eej h ASN 46 CO 0.62 0.00 -0.22 -1.54 -2.08 0.00 0.00 177.43 174.21 3eej n SER 47 N -3.30 1.19 -4.92 6.14 3.41 -1.26 -4.93 113.62 109.96 3eej n SER 47 Ca -0.01 -1.05 -0.22 0.00 -0.26 0.00 0.00 58.87 57.33 3eej n SER 47 Cb 0.22 0.13 -0.03 0.00 -0.26 0.00 0.00 64.21 64.27 3eej n SER 47 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3eej s LYS 48 N -2.40 3.27 0.32 4.33 1.02 -0.21 -4.93 119.74 121.14 3eej s LYS 48 Ca 0.26 -0.83 0.10 0.00 0.02 0.00 0.00 55.97 55.53 3eej s LYS 48 Cb 0.19 -2.80 -0.06 0.00 -0.52 0.00 0.00 37.83 34.65 3eej s LYS 48 CO 0.49 0.43 -0.12 -0.65 -0.92 0.00 0.00 175.35 174.58 3eej s GLN 49 N -3.82 1.77 0.37 1.68 -0.21 -0.89 -4.86 119.66 113.70 3eej s GLN 49 Ca 0.34 -1.88 0.01 0.00 0.02 0.00 0.00 55.36 53.84 3eej s GLN 49 Cb -0.09 -1.70 -0.02 0.00 1.00 0.00 0.00 33.01 32.20 3eej s GLN 49 CO 0.28 0.19 0.56 -0.80 -2.12 0.00 0.00 175.29 173.40 3eej s ASN 50 N -3.57 6.15 -0.04 5.90 0.01 -1.26 -2.03 114.94 120.10 3eej s ASN 50 Ca 0.32 0.34 -0.05 0.00 -0.71 0.00 0.00 52.86 52.76 3eej s ASN 50 Cb 0.00 -1.84 -0.04 0.00 0.41 0.00 0.00 41.25 39.78 3eej s ASN 50 CO 0.16 -0.40 0.19 -0.69 -1.51 0.00 0.00 177.10 174.85 3eej s VAL 51 N -2.35 5.42 -0.14 1.60 1.01 -0.40 -1.59 120.40 123.95 3eej s VAL 51 Ca 0.42 0.03 0.03 0.00 0.00 0.00 0.00 61.98 62.46 3eej s VAL 51 Cb -0.10 -3.51 0.01 0.00 0.00 0.00 0.00 36.38 32.78 3eej s VAL 51 CO 0.36 0.42 -0.22 0.68 0.00 0.00 0.00 175.10 176.34 3eej s VAL 52 N -1.23 2.07 -0.09 2.92 -7.23 0.12 -0.62 120.40 116.34 3eej s VAL 52 Ca 0.24 -0.98 0.01 0.00 -1.81 0.00 0.00 61.98 59.44 3eej s VAL 52 Cb -0.13 -1.82 -0.02 0.00 0.56 0.00 0.00 36.38 34.97 3eej s VAL 52 CO 0.14 0.55 -0.12 -0.63 -0.31 0.00 0.00 175.10 174.73 3eej s ILE 53 N 0.78 3.21 0.03 -0.62 1.01 0.14 -0.72 121.20 125.03 3eej s ILE 53 Ca -0.08 -0.64 -0.12 0.00 0.00 0.00 0.00 60.65 59.82 3eej s ILE 53 Cb -0.16 -2.32 0.01 0.00 0.01 0.00 0.00 42.46 40.01 3eej s ILE 53 CO -0.01 0.56 0.25 0.00 0.00 0.00 0.00 174.94 175.74 3eej s MET 54 N -0.21 0.71 0.74 2.79 0.23 -0.29 -1.28 119.30 122.00 3eej s MET 54 Ca 0.01 -0.47 -0.11 0.00 -1.03 0.00 0.00 55.69 54.09 3eej s MET 54 Cb -0.13 0.30 0.04 0.00 -1.53 0.00 0.00 34.83 33.51 3eej s MET 54 CO 0.03 -0.21 1.08 0.20 -2.03 0.00 0.00 175.02 174.09 3eej s GLY 55 N -1.84 1.65 0.26 3.16 0.00 -0.27 -1.27 107.32 109.02 3eej s GLY 55 Ca -0.08 0.00 -0.02 0.00 0.00 0.00 0.00 44.72 44.63 3eej s GLY 55 CO -0.01 0.36 1.81 -0.09 0.00 0.00 0.00 173.10 175.17 3eej h ARG 56 N -0.91 0.82 -0.11 2.90 1.12 -1.76 -1.61 114.38 114.82 3eej h ARG 56 Ca -0.45 -0.05 -0.14 0.00 -1.11 0.00 0.00 59.98 58.23 3eej h ARG 56 Cb 1.23 -0.18 -0.01 0.00 -0.01 0.00 0.00 29.97 31.00 3eej h ARG 56 CO 0.57 0.54 -0.55 0.87 -3.11 0.00 0.00 179.97 178.29 3eej h LYS 57 N 0.84 0.33 -0.25 0.20 1.57 -1.93 -1.58 116.57 115.75 3eej h LYS 57 Ca 0.45 -0.20 -0.03 0.00 -1.87 0.00 0.00 60.65 59.00 3eej h LYS 57 Cb 0.46 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 3eej h LYS 57 CO -0.27 0.79 0.05 1.15 -0.57 0.00 0.00 179.45 180.59 3eej h THR 58 N 0.25 1.22 -0.63 -0.16 2.02 -1.71 -2.46 112.91 111.45 3eej h THR 58 Ca 0.00 -0.75 0.13 0.00 0.77 0.00 0.00 66.41 66.56 3eej h THR 58 Cb 1.04 1.24 -0.10 0.00 -1.74 0.00 0.00 68.15 68.60 3eej h THR 58 CO 0.09 0.24 0.07 -0.25 0.37 0.00 0.00 175.52 176.04 3eej h TRP 59 N 0.22 0.08 0.00 3.16 2.91 -1.05 -0.99 115.95 120.29 3eej h TRP 59 Ca 0.08 0.04 -0.03 0.00 1.13 0.00 0.00 58.89 60.11 3eej h TRP 59 Cb 0.32 0.06 -0.00 0.00 -0.51 0.00 0.00 29.16 29.02 3eej h TRP 59 CO 0.02 -0.11 -0.15 0.93 -1.03 0.00 0.00 178.44 178.09 3eej h GLU 60 N 0.18 0.00 0.00 2.65 5.08 -1.18 -2.73 114.58 118.59 3eej h GLU 60 Ca 0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 3eej h GLU 60 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 3eej h GLU 60 CO -0.48 0.15 -0.18 0.66 -1.00 0.00 0.00 179.01 178.16 3eej h SER 61 N 0.00 0.00 -3.20 1.42 4.64 -0.70 -3.46 113.55 112.25 3eej h SER 61 Ca -0.00 -0.02 -0.53 0.00 -0.47 0.00 0.00 61.79 60.77 3eej h SER 61 Cb 0.50 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.61 3eej h SER 61 CO 0.02 0.01 0.62 -0.63 -0.87 0.00 0.00 176.83 175.98 3eej s ILE 62 N -3.19 3.61 0.30 0.95 1.01 -1.03 -4.96 121.20 117.90 3eej s ILE 62 Ca 0.07 1.21 -0.29 0.00 0.00 0.00 0.00 60.65 61.64 3eej s ILE 62 Cb 0.09 -3.77 -0.13 0.00 0.01 0.00 0.00 42.46 38.66 3eej s ILE 62 CO 0.67 0.12 1.34 -2.65 0.00 0.00 0.00 174.94 174.42 3eej n PRO 63 N 3.52 2.10 -0.23 2.79 -0.02 -1.26 -4.84 135.00 137.06 3eej n PRO 63 Ca 0.09 0.74 0.25 0.00 -2.02 0.00 0.00 63.50 62.56 3eej n PRO 63 Cb 0.44 -2.35 0.63 0.00 -0.02 0.00 0.00 33.50 32.20 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 3.22 0.17 0.00 -0.52 4.20 -1.93 0.16 115.11 120.42 3eej h GLN 64 Ca -0.46 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.20 3eej h GLN 64 Cb 1.28 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 29.01 3eej h GLN 64 CO 0.68 0.11 -0.20 0.87 -0.67 0.00 0.00 178.83 179.62 3eej h LYS 65 N 0.18 0.00 -0.54 1.46 1.57 -2.02 -3.25 116.57 113.97 3eej h LYS 65 Ca 0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.25 3eej h LYS 65 Cb 1.56 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.87 3eej h LYS 65 CO -0.10 0.20 0.00 1.19 -0.57 0.00 0.00 179.45 180.17 3eej n PHE 66 N -3.55 0.71 -4.88 -1.35 3.72 0.55 -4.92 117.46 107.74 3eej n PHE 66 Ca -0.01 -0.45 -0.26 0.00 -0.05 0.00 0.00 57.45 56.68 3eej n PHE 66 Cb 0.35 -0.01 -0.15 0.00 -0.94 0.00 0.00 39.48 38.73 3eej n PHE 66 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 3eej s ARG 67 N -1.06 1.55 0.60 -1.08 1.70 -1.17 -3.50 118.95 115.99 3eej s ARG 67 Ca 0.38 -0.77 -0.16 0.00 -0.47 0.00 0.00 55.73 54.71 3eej s ARG 67 Cb 0.20 -1.54 -0.03 0.00 -0.57 0.00 0.00 34.95 33.01 3eej s ARG 67 CO 0.27 0.41 1.08 -1.25 -1.08 0.00 0.00 175.30 174.73 3eej s PRO 68 N -0.66 3.20 0.01 3.89 0.04 -1.26 -4.94 135.00 135.27 3eej s PRO 68 Ca 0.08 1.29 -0.32 0.00 0.04 0.00 0.00 61.00 62.08 3eej s PRO 68 Cb -0.08 -2.01 -0.11 0.00 0.04 0.00 0.00 34.50 32.34 3eej s PRO 68 CO -0.00 -0.92 1.88 1.28 0.04 0.00 0.00 177.00 179.28 3eej n LEU 69 N -2.05 3.78 -4.72 -3.56 4.77 -1.23 -4.88 117.00 109.11 3eej n LEU 69 Ca 0.09 0.96 -0.40 0.00 -0.03 0.00 0.00 56.01 56.63 3eej n LEU 69 Cb 0.52 -1.46 0.02 0.00 -2.33 0.00 0.00 43.42 40.18 3eej n LEU 69 CO 0.47 0.06 0.94 -2.65 -1.33 0.00 0.00 177.39 174.88 3eej n PRO 70 N 6.53 1.95 -1.09 3.23 -0.02 -1.26 -3.56 135.00 140.79 3eej n PRO 70 Ca 0.21 0.70 -0.03 0.00 -2.02 0.00 0.00 63.50 62.35 3eej n PRO 70 Cb 0.35 -2.48 -0.01 0.00 -0.02 0.00 0.00 33.50 31.33 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 -0.23 -0.70 -4.17 -0.52 4.76 -1.26 -4.94 118.16 111.09 3eej n LYS 71 Ca 0.07 0.42 -0.16 0.00 -2.87 0.00 0.00 58.31 55.78 3eej n LYS 71 Cb 0.41 -4.11 -0.13 0.00 -1.84 0.00 0.00 35.03 29.36 3eej n LYS 71 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3eej s ARG 72 N -1.52 0.55 -0.10 1.97 0.52 -1.23 -4.59 118.95 114.55 3eej s ARG 72 Ca 0.00 -0.46 -0.30 0.00 -0.52 0.00 0.00 55.73 54.45 3eej s ARG 72 Cb 0.00 -0.47 -0.03 0.00 0.52 0.00 0.00 34.95 34.97 3eej s ARG 72 CO 0.00 0.12 1.41 0.42 0.02 0.00 0.00 175.30 177.26 3eej s ILE 73 N -0.64 3.96 -0.17 1.52 1.01 -0.62 -4.80 121.20 121.47 3eej s ILE 73 Ca -0.02 1.21 -0.09 0.00 0.00 0.00 0.00 60.65 61.75 3eej s ILE 73 Cb -0.06 -3.78 -0.05 0.00 0.01 0.00 0.00 42.46 38.59 3eej s ILE 73 CO 0.00 -0.08 0.13 0.20 0.00 0.00 0.00 174.94 175.19 3eej s ASN 74 N 2.37 6.26 -0.10 3.58 0.02 -0.92 0.13 114.94 126.28 3eej s ASN 74 Ca 0.62 0.32 0.02 0.00 -1.02 0.00 0.00 52.86 52.80 3eej s ASN 74 Cb -0.27 -2.07 0.01 0.00 0.02 0.00 0.00 41.25 38.94 3eej s ASN 74 CO 0.22 0.27 -0.15 -0.69 0.02 0.00 0.00 177.10 176.77 3eej s VAL 75 N -0.20 1.46 -0.13 1.60 1.01 0.11 -1.14 120.40 123.11 3eej s VAL 75 Ca 0.11 -0.63 -0.01 0.00 0.00 0.00 0.00 61.98 61.44 3eej s VAL 75 Cb -0.11 -1.33 -0.02 0.00 0.00 0.00 0.00 36.38 34.91 3eej s VAL 75 CO 0.00 0.43 -0.08 -0.69 0.00 0.00 0.00 175.10 174.77 3eej s VAL 76 N 0.91 3.56 -0.16 2.92 1.01 -0.03 -1.13 120.40 127.48 3eej s VAL 76 Ca -0.08 -0.49 -0.03 0.00 0.00 0.00 0.00 61.98 61.37 3eej s VAL 76 Cb -0.15 -2.51 -0.02 0.00 0.00 0.00 0.00 36.38 33.69 3eej s VAL 76 CO -0.00 0.53 -0.05 0.68 0.00 0.00 0.00 175.10 176.25 3eej s VAL 77 N 0.11 3.73 -0.09 2.92 -7.23 -0.39 -1.08 120.40 118.36 3eej s VAL 77 Ca -0.03 -0.41 -0.07 0.00 -1.81 0.00 0.00 61.98 59.66 3eej s VAL 77 Cb -0.14 -2.63 0.03 0.00 0.56 0.00 0.00 36.38 34.20 3eej s VAL 77 CO 0.04 0.49 0.24 -0.55 -0.31 0.00 0.00 175.10 175.00 3eej s SER 78 N 0.48 -0.25 0.35 4.85 0.15 0.08 -2.00 113.70 117.36 3eej s SER 78 Ca -0.04 0.49 0.26 0.00 0.70 0.00 0.00 55.95 57.36 3eej s SER 78 Cb -0.15 0.44 1.19 0.00 -1.71 0.00 0.00 66.02 65.80 3eej s SER 78 CO 0.03 -0.12 1.79 0.03 1.20 0.00 0.00 173.24 176.17 3eej h ARG 79 N 6.39 0.00 -0.14 5.44 3.08 -1.83 -2.32 114.38 125.00 3eej h ARG 79 Ca -0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.73 3eej h ARG 79 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.23 3eej h ARG 79 CO 0.37 0.00 0.00 -1.13 -1.07 0.00 0.00 179.97 178.14 3eej n SER 80 N -2.43 1.42 -4.67 7.04 3.41 -1.26 -4.90 113.62 112.23 3eej n SER 80 Ca 0.01 -1.66 -0.26 0.00 -0.26 0.00 0.00 58.87 56.69 3eej n SER 80 Cb 0.18 -0.09 0.11 0.00 -0.26 0.00 0.00 64.21 64.15 3eej n SER 80 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3eej s PHE 81 N -1.82 2.21 0.02 7.33 0.08 -0.87 -5.05 117.98 119.87 3eej s PHE 81 Ca 0.32 0.17 -0.03 0.00 0.12 0.00 0.00 56.93 57.51 3eej s PHE 81 Cb 0.17 -3.33 -0.28 0.00 -0.57 0.00 0.00 43.02 39.01 3eej s PHE 81 CO 0.26 -1.76 0.94 -0.44 -0.10 0.00 0.00 175.22 174.11 3eej h ASP 82 N -0.79 0.38 0.00 1.36 3.32 -1.90 -3.42 116.42 115.38 3eej h ASP 82 Ca -0.42 -0.49 0.00 0.00 0.02 0.00 0.00 57.03 56.14 3eej h ASP 82 Cb 1.28 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.71 3eej h ASP 82 CO 0.49 1.40 0.00 0.61 -1.72 0.00 0.00 179.24 180.02 3eej n GLY 83 N 1.62 -0.66 0.06 2.75 0.00 -1.26 -4.94 105.19 102.76 3eej n GLY 83 Ca -0.14 -0.48 0.11 0.00 0.00 0.00 0.00 46.02 45.51 3eej n GLY 83 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3eej n GLU 84 N 0.00 0.63 -3.15 1.61 0.28 -1.26 -1.32 120.64 117.43 3eej n GLU 84 Ca 0.00 -0.04 0.05 0.00 -0.16 0.00 0.00 57.16 57.02 3eej n GLU 84 Cb 0.00 -1.67 -0.01 0.00 1.43 0.00 0.00 31.44 31.19 3eej n GLU 84 CO 0.00 0.00 0.00 -1.17 -0.16 0.00 0.00 177.13 175.80 3eej s LEU 85 N -4.95 -0.54 -0.08 -1.84 2.96 -1.25 -3.58 118.68 109.41 3eej s LEU 85 Ca -0.04 0.15 0.02 0.00 -0.22 0.00 0.00 54.13 54.03 3eej s LEU 85 Cb 0.12 1.38 0.02 0.00 0.50 0.00 0.00 46.19 48.20 3eej s LEU 85 CO 0.85 -0.10 -0.11 -0.60 -1.32 0.00 0.00 176.35 175.07 3eej s ARG 86 N 2.94 1.69 0.06 1.98 3.52 -0.18 -4.96 118.95 124.00 3eej s ARG 86 Ca 0.17 -0.38 -0.31 0.00 -0.13 0.00 0.00 55.73 55.08 3eej s ARG 86 Cb -0.05 -1.48 -0.07 0.00 -1.56 0.00 0.00 34.95 31.78 3eej s ARG 86 CO -0.19 -0.05 1.53 0.21 -0.81 0.00 0.00 175.30 175.99 3eej s LYS 87 N 0.94 4.24 -0.01 5.12 2.20 -1.26 -0.54 119.74 130.42 3eej s LYS 87 Ca -0.09 2.19 0.06 0.00 -0.36 0.00 0.00 55.97 57.76 3eej s LYS 87 Cb -0.15 -3.51 -0.09 0.00 -1.51 0.00 0.00 37.83 32.57 3eej s LYS 87 CO 0.00 -0.64 0.12 1.33 -0.36 0.00 0.00 175.35 175.81 3eej n VAL 88 N 4.55 0.04 -3.69 4.02 0.24 0.04 -4.91 118.33 118.62 3eej n VAL 88 Ca 0.14 -0.15 -0.06 0.00 -2.04 0.00 0.00 64.34 62.23 3eej n VAL 88 Cb 0.42 0.23 -0.02 0.00 -1.47 0.00 0.00 33.84 33.00 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 -2.40 1.27 0.02 7.34 0.41 -1.09 -5.02 118.70 119.24 3eej s GLU 89 Ca -0.02 -0.65 -0.33 0.00 -0.41 0.00 0.00 54.97 53.56 3eej s GLU 89 Cb 0.04 0.47 -0.11 0.00 -1.78 0.00 0.00 34.13 32.74 3eej s GLU 89 CO 0.25 -0.58 1.84 -0.25 -0.49 0.00 0.00 175.26 176.04 3eej n ASP 90 N -0.42 3.62 0.00 -0.19 10.43 -1.26 -0.79 116.55 127.95 3eej n ASP 90 Ca -0.07 0.98 0.00 0.00 2.57 0.00 0.00 54.79 58.27 3eej n ASP 90 Cb 0.61 -1.44 0.00 0.00 1.84 0.00 0.00 41.12 42.13 3eej n ASP 90 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3eej n GLY 91 N 4.23 1.39 3.08 0.44 0.00 -1.26 -4.91 105.19 108.16 3eej n GLY 91 Ca 0.20 0.00 -0.30 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 -3.46 1.73 -0.06 -0.61 1.01 0.03 -2.17 121.20 117.67 3eej s ILE 92 Ca 0.00 -0.76 0.03 0.00 0.00 0.00 0.00 60.65 59.92 3eej s ILE 92 Cb 0.00 -1.57 -0.02 0.00 0.01 0.00 0.00 42.46 40.87 3eej s ILE 92 CO 0.00 0.49 -0.14 -0.31 0.00 0.00 0.00 174.94 174.97 3eej s TYR 93 N 1.11 2.71 -0.11 3.97 2.02 -0.29 -0.78 117.35 125.98 3eej s TYR 93 Ca -0.02 -0.26 -0.03 0.00 -0.37 0.00 0.00 57.07 56.38 3eej s TYR 93 Cb -0.14 -1.67 -0.03 0.00 -0.40 0.00 0.00 41.96 39.72 3eej s TYR 93 CO -0.05 0.10 0.00 -1.01 -1.57 0.00 0.00 175.55 173.02 3eej s HIS 94 N -0.51 3.14 0.00 2.71 3.76 0.30 -0.85 115.29 123.84 3eej s HIS 94 Ca 0.07 0.08 0.03 0.00 -0.15 0.00 0.00 55.06 55.09 3eej s HIS 94 Cb -0.12 -1.86 -0.01 0.00 1.11 0.00 0.00 32.58 31.71 3eej s HIS 94 CO 0.02 0.33 -0.11 0.45 -0.85 0.00 0.00 174.74 174.58 3eej s SER 95 N -0.49 1.26 0.00 1.40 0.15 -0.24 -1.02 113.70 114.77 3eej s SER 95 Ca 0.09 -0.25 0.15 0.00 0.70 0.00 0.00 55.95 56.63 3eej s SER 95 Cb -0.12 -0.12 0.45 0.00 -1.71 0.00 0.00 66.02 64.52 3eej s SER 95 CO 0.02 0.09 1.36 -0.46 1.20 0.00 0.00 173.24 175.45 3eej n ASN 96 N 2.58 2.28 -3.32 5.45 6.94 -0.44 -0.74 115.26 128.02 3eej n ASN 96 Ca -0.15 -1.95 -0.04 0.00 -0.02 0.00 0.00 54.58 52.42 3eej n ASN 96 Cb 0.56 -0.26 -0.05 0.00 -2.36 0.00 0.00 39.78 37.67 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 -1.11 -0.44 0.15 0.53 0.15 -1.26 -4.56 113.70 107.15 3eej s SER 97 Ca 0.30 0.59 -0.25 0.00 0.70 0.00 0.00 55.95 57.29 3eej s SER 97 Cb 0.16 1.56 0.01 0.00 -1.71 0.00 0.00 66.02 66.04 3eej s SER 97 CO 0.21 -0.28 1.60 0.25 1.20 0.00 0.00 173.24 176.23 3eej h LEU 98 N 8.11 -1.12 -0.48 3.45 6.46 -1.94 0.52 115.31 130.31 3eej h LEU 98 Ca -0.20 0.18 0.02 0.00 -0.12 0.00 0.00 57.88 57.75 3eej h LEU 98 Cb 1.15 0.49 -0.03 0.00 -0.73 0.00 0.00 40.66 41.54 3eej h LEU 98 CO 0.25 -0.35 0.30 0.03 -0.62 0.00 0.00 178.44 178.04 3eej h ARG 99 N -0.34 0.58 -0.03 1.25 3.08 -1.97 -1.98 114.38 114.97 3eej h ARG 99 Ca 0.13 -0.03 -0.21 0.00 0.07 0.00 0.00 59.98 59.93 3eej h ARG 99 Cb 0.56 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.48 3eej h ARG 99 CO -0.46 0.38 -0.87 -0.91 -1.07 0.00 0.00 179.97 177.05 3eej h ASN 100 N 0.60 0.54 -0.66 7.04 2.35 -1.88 -2.27 115.58 121.30 3eej h ASN 100 Ca 0.19 -0.41 -0.03 0.00 -0.55 0.00 0.00 56.30 55.50 3eej h ASN 100 Cb -0.02 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.16 3eej h ASN 100 CO -0.07 1.19 0.30 0.00 -1.65 0.00 0.00 177.43 177.20 3eej h LEU 102 N 0.98 0.46 -0.71 0.00 3.38 -1.18 0.18 115.31 118.42 3eej h LEU 102 Ca 0.24 -0.08 0.06 0.00 0.09 0.00 0.00 57.88 58.18 3eej h LEU 102 Cb 0.14 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.72 3eej h LEU 102 CO -0.03 0.41 0.41 0.74 0.09 0.00 0.00 178.44 180.06 3eej h THR 103 N 0.47 0.99 0.13 0.22 2.02 -1.20 -1.54 112.91 114.00 3eej h THR 103 Ca 0.13 -0.26 -0.01 0.00 0.77 0.00 0.00 66.41 67.04 3eej h THR 103 Cb 0.05 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 66.63 3eej h THR 103 CO -0.02 0.14 -0.06 0.00 0.37 0.00 0.00 175.52 175.95 3eej h ALA 104 N 1.36 -0.17 -0.70 6.16 0.00 -0.38 -2.89 119.26 122.63 3eej h ALA 104 Ca 0.31 -0.10 0.17 0.00 0.00 0.00 0.00 54.91 55.29 3eej h ALA 104 Cb 0.17 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 3eej h ALA 104 CO -0.17 -0.52 0.48 -0.07 0.00 0.00 0.00 179.25 178.97 3eej h LEU 105 N -0.33 0.18 -0.16 0.00 3.38 -0.46 -2.18 115.31 115.74 3eej h LEU 105 Ca -0.02 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3eej h LEU 105 Cb 0.27 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3eej h LEU 105 CO 0.03 0.09 0.00 0.00 0.09 0.00 0.00 178.44 178.65 3eej n GLN 106 N -4.41 0.09 -2.27 1.13 1.13 -0.60 -4.72 117.38 107.73 3eej n GLN 106 Ca 0.13 0.22 -0.43 0.00 -1.94 0.00 0.00 57.00 54.99 3eej n GLN 106 Cb 0.63 -1.64 -0.02 0.00 0.11 0.00 0.00 30.24 29.32 3eej n GLN 106 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 3eej s SER 107 N -3.54 6.85 0.48 1.08 0.15 -0.82 -4.77 113.70 113.12 3eej s SER 107 Ca 0.09 1.92 0.23 0.00 0.70 0.00 0.00 55.95 58.89 3eej s SER 107 Cb 0.12 -2.54 1.23 0.00 -1.71 0.00 0.00 66.02 63.13 3eej s SER 107 CO 0.42 -0.81 2.00 0.77 1.20 0.00 0.00 173.24 176.82 3eej h SER 108 N 8.60 0.00 -0.28 5.45 4.64 -1.90 0.15 113.55 130.21 3eej h SER 108 Ca -0.32 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.92 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 0.96 0.18 -0.12 -0.07 -0.87 0.00 0.00 176.83 176.90 3eej h LEU 109 N 0.00 0.59 -0.16 5.97 3.38 -1.97 0.67 115.31 123.79 3eej h LEU 109 Ca -0.00 -0.40 -0.23 0.00 0.09 0.00 0.00 57.88 57.34 3eej h LEU 109 Cb 0.43 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 41.03 3eej h LEU 109 CO 0.02 0.86 -0.85 0.00 0.09 0.00 0.00 178.44 178.56 3eej h ALA 110 N 0.75 0.32 0.00 1.53 0.00 -1.78 -3.36 119.26 116.71 3eej h ALA 110 Ca 0.06 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.34 3eej h ALA 110 Cb 0.63 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3eej h ALA 110 CO 0.04 0.71 -0.77 0.27 0.00 0.00 0.00 179.25 179.50 3eej n ASN 111 N -3.88 0.73 -2.25 0.00 2.04 0.47 -4.95 115.26 107.41 3eej n ASN 111 Ca -0.08 -0.57 -0.13 0.00 -0.44 0.00 0.00 54.58 53.36 3eej n ASN 111 Cb 0.78 0.63 -0.01 0.00 -2.53 0.00 0.00 39.78 38.65 3eej n ASN 111 CO 0.00 0.00 0.00 -0.62 -0.44 0.00 0.00 177.26 176.20 3eej n GLU 112 N -1.54 -2.03 -3.05 -3.83 1.02 0.23 -0.54 120.64 110.90 3eej n GLU 112 Ca 0.05 0.65 -0.19 0.00 -0.02 0.00 0.00 57.16 57.65 3eej n GLU 112 Cb 0.34 -5.19 -0.00 0.00 -0.02 0.00 0.00 31.44 26.57 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 -1.58 -3.57 -1.01 1.62 3.02 -1.24 -4.90 115.26 107.60 3eej n ASN 113 Ca -0.15 -0.17 0.08 0.00 -0.03 0.00 0.00 54.58 54.31 3eej n ASN 113 Cb 0.58 -2.99 0.26 0.00 -0.61 0.00 0.00 39.78 37.02 3eej n ASN 113 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3eej n LYS 114 N -3.38 3.20 -3.55 3.52 4.76 0.30 -4.84 118.16 118.17 3eej n LYS 114 Ca -0.05 -2.73 -0.38 0.00 -2.87 0.00 0.00 58.31 52.28 3eej n LYS 114 Cb 0.56 -1.79 -0.10 0.00 -1.84 0.00 0.00 35.03 31.86 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 -2.40 5.28 0.05 -0.18 -1.09 -1.26 -2.10 121.20 119.51 3eej s ILE 115 Ca 0.41 0.28 -0.35 0.00 -2.23 0.00 0.00 60.65 58.76 3eej s ILE 115 Cb 0.31 -3.57 -0.19 0.00 -1.58 0.00 0.00 42.46 37.42 3eej s ILE 115 CO 0.12 0.25 1.47 -0.08 -1.23 0.00 0.00 174.94 175.46 3eej h GLU 116 N 8.14 -1.18 -4.15 2.79 4.81 -1.74 -3.48 114.58 119.78 3eej h GLU 116 Ca -0.35 0.08 -0.12 0.00 -0.13 0.00 0.00 59.36 58.84 3eej h GLU 116 Cb 1.18 0.27 -0.16 0.00 0.63 0.00 0.00 28.75 30.67 3eej h GLU 116 CO 0.59 -0.78 -0.64 1.03 -0.73 0.00 0.00 179.01 178.48 3eej s ARG 117 N -5.68 0.60 -0.25 1.92 0.52 -1.26 -4.20 118.95 110.59 3eej s ARG 117 Ca -0.18 -1.11 -0.02 0.00 -0.52 0.00 0.00 55.73 53.89 3eej s ARG 117 Cb 0.02 0.21 0.02 0.00 0.52 0.00 0.00 34.95 35.73 3eej s ARG 117 CO 0.56 -0.12 -0.04 0.42 0.02 0.00 0.00 175.30 176.14 3eej s ILE 118 N -3.62 3.03 -0.23 1.52 1.01 -0.56 -1.28 121.20 121.08 3eej s ILE 118 Ca 0.04 -0.96 -0.12 0.00 0.00 0.00 0.00 60.65 59.61 3eej s ILE 118 Cb 0.06 -2.54 -0.05 0.00 0.01 0.00 0.00 42.46 39.94 3eej s ILE 118 CO -0.09 0.19 0.22 -0.31 0.00 0.00 0.00 174.94 174.95 3eej s TYR 119 N 1.35 3.33 -0.39 3.97 2.02 0.21 -0.52 117.35 127.34 3eej s TYR 119 Ca 0.01 0.33 -0.20 0.00 -0.37 0.00 0.00 57.07 56.84 3eej s TYR 119 Cb -0.17 -2.33 0.01 0.00 -0.40 0.00 0.00 41.96 39.08 3eej s TYR 119 CO -0.04 0.06 0.59 0.42 -1.57 0.00 0.00 175.55 175.01 3eej s ILE 120 N 1.08 4.92 -0.63 2.71 1.01 0.19 -0.69 121.20 129.79 3eej s ILE 120 Ca 0.10 0.25 0.15 0.00 0.00 0.00 0.00 60.65 61.16 3eej s ILE 120 Cb -0.14 -4.09 0.49 0.00 0.01 0.00 0.00 42.46 38.73 3eej s ILE 120 CO 0.05 -0.41 1.41 2.30 0.00 0.00 0.00 174.94 178.29 3eej n ILE 121 N 5.63 1.74 0.00 2.92 -5.35 -0.40 -1.10 119.36 122.80 3eej n ILE 121 Ca -0.03 -1.42 0.00 0.00 -0.27 0.00 0.00 62.75 61.04 3eej n ILE 121 Cb 0.48 0.10 0.00 0.00 -1.74 0.00 0.00 39.64 38.48 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 0.20 -0.52 0.00 3.28 0.00 -1.25 -4.97 105.19 101.92 3eej n GLY 122 Ca 0.19 -2.27 0.00 0.00 0.00 0.00 0.00 46.02 43.94 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 -0.62 2.23 0.18 -0.02 0.00 -1.26 -1.12 105.19 104.59 3eej n GLY 123 Ca 0.00 -1.76 -0.03 0.00 0.00 0.00 0.00 46.02 44.23 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 0.47 0.95 -0.02 0.00 -1.97 0.60 103.07 103.10 3eej h GLY 124 Ca 0.00 0.04 -0.08 0.00 0.00 0.00 0.00 47.33 47.30 3eej h GLY 124 CO 0.00 -0.11 -0.06 -2.09 0.00 0.00 0.00 176.54 174.28 3eej h GLU 125 N 0.13 0.71 -0.11 4.80 4.81 -1.95 -0.96 114.58 122.01 3eej h GLU 125 Ca 0.23 -0.26 0.02 0.00 -0.13 0.00 0.00 59.36 59.22 3eej h GLU 125 Cb 0.33 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 3eej h GLU 125 CO -0.36 0.84 0.00 0.82 -0.73 0.00 0.00 179.01 179.58 3eej h ILE 126 N 0.51 0.93 -0.79 2.32 1.08 -1.76 -2.85 117.51 116.94 3eej h ILE 126 Ca 0.10 -0.01 -0.01 0.00 -0.39 0.00 0.00 64.86 64.55 3eej h ILE 126 Cb 0.56 0.88 -0.04 0.00 -3.07 0.00 0.00 36.82 35.16 3eej h ILE 126 CO 0.03 0.01 0.47 1.88 -0.69 0.00 0.00 178.15 179.85 3eej h TYR 127 N 0.04 1.05 -0.85 1.37 0.05 -0.57 -1.58 116.97 116.48 3eej h TYR 127 Ca 0.05 -0.00 0.17 0.00 0.05 0.00 0.00 58.73 58.99 3eej h TYR 127 Cb 0.06 -0.34 -0.10 0.00 1.01 0.00 0.00 36.73 37.35 3eej h TYR 127 CO -0.13 0.71 0.41 0.00 -1.05 0.00 0.00 178.16 178.10 3eej h ARG 128 N 1.10 0.53 -0.00 4.88 3.08 -1.05 -1.08 114.38 121.83 3eej h ARG 128 Ca 0.28 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.30 3eej h ARG 128 Cb -0.03 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 29.90 3eej h ARG 128 CO -0.05 0.35 -0.16 1.04 -1.07 0.00 0.00 179.97 180.08 3eej n GLN 129 N -4.93 0.32 0.00 0.04 6.02 -0.65 -3.88 117.38 114.29 3eej n GLN 129 Ca 0.18 -0.10 0.11 0.00 -0.01 0.00 0.00 57.00 57.18 3eej n GLN 129 Cb 0.50 -1.50 0.04 0.00 1.02 0.00 0.00 30.24 30.30 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 -1.25 2.40 0.10 1.08 7.64 -0.41 -4.36 113.62 118.81 3eej n SER 130 Ca 0.10 -1.70 0.05 0.00 1.01 0.00 0.00 58.87 58.33 3eej n SER 130 Cb 0.31 0.25 0.48 0.00 -1.01 0.00 0.00 64.21 64.24 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 3.32 0.33 -0.23 1.43 2.86 -1.66 -0.47 114.93 120.51 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 0.83 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.42 3eej h MET 131 CO 0.00 0.25 0.00 -0.25 1.06 0.00 0.00 176.91 177.97 3eej n ASP 132 N -4.46 2.87 -0.08 1.22 8.00 -1.26 -4.27 116.55 118.57 3eej n ASP 132 Ca 0.01 -1.91 -0.09 0.00 0.71 0.00 0.00 54.79 53.51 3eej n ASP 132 Cb 0.10 -0.14 -0.10 0.00 -0.02 0.00 0.00 41.12 40.96 3eej n ASP 132 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3eej n LEU 133 N 1.15 1.12 -4.79 0.64 4.32 -0.62 -5.02 117.00 113.81 3eej n LEU 133 Ca 0.17 -0.04 -0.36 0.00 -0.02 0.00 0.00 56.01 55.77 3eej n LEU 133 Cb 0.54 -0.02 -0.06 0.00 -1.62 0.00 0.00 43.42 42.25 3eej n LEU 133 CO 0.15 0.52 0.66 0.00 -1.22 0.00 0.00 177.39 177.51 3eej s ALA 134 N -2.35 3.14 -0.06 -1.18 0.00 -0.28 -4.83 121.76 116.20 3eej s ALA 134 Ca -0.14 0.51 0.13 0.00 0.00 0.00 0.00 51.96 52.47 3eej s ALA 134 Cb 0.05 -3.19 -0.17 0.00 0.00 0.00 0.00 23.12 19.82 3eej s ALA 134 CO 0.52 0.11 0.88 -0.44 0.00 0.00 0.00 175.76 176.83 3eej h ASP 135 N 2.70 0.00 -5.13 0.00 3.32 -0.92 -3.47 116.42 112.92 3eej h ASP 135 Ca -0.48 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.48 3eej h ASP 135 Cb 1.19 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.59 3eej h ASP 135 CO 0.63 0.81 -0.37 -1.00 -1.72 0.00 0.00 179.24 177.59 3eej s HIS 136 N -2.76 0.12 -0.09 4.55 3.76 -1.15 -2.86 115.29 116.87 3eej s HIS 136 Ca -0.02 -0.50 0.02 0.00 -0.15 0.00 0.00 55.06 54.41 3eej s HIS 136 Cb 0.08 -0.05 0.01 0.00 1.11 0.00 0.00 32.58 33.74 3eej s HIS 136 CO 0.81 -0.52 -0.15 -1.58 -0.85 0.00 0.00 174.74 172.45 3eej s TRP 137 N -3.55 1.82 -0.38 1.40 0.52 0.11 -1.77 118.94 117.09 3eej s TRP 137 Ca 0.03 -0.76 -0.15 0.00 0.02 0.00 0.00 56.10 55.23 3eej s TRP 137 Cb 0.03 -1.30 0.00 0.00 -1.15 0.00 0.00 33.47 31.06 3eej s TRP 137 CO -0.09 -0.37 0.34 -0.51 0.02 0.00 0.00 176.95 176.34 3eej s LEU 138 N 0.75 4.73 -0.18 2.99 2.01 0.92 -0.18 118.68 129.73 3eej s LEU 138 Ca -0.12 -0.55 0.00 0.00 0.01 0.00 0.00 54.13 53.47 3eej s LEU 138 Cb -0.16 -2.27 0.01 0.00 0.01 0.00 0.00 46.19 43.78 3eej s LEU 138 CO 0.03 -0.41 -0.18 -0.63 1.01 0.00 0.00 176.35 176.16 3eej s ILE 139 N 1.91 2.27 -0.33 -0.59 1.01 -0.86 -1.42 121.20 123.19 3eej s ILE 139 Ca 0.09 -0.88 -0.24 0.00 0.00 0.00 0.00 60.65 59.62 3eej s ILE 139 Cb -0.17 -1.96 0.01 0.00 0.01 0.00 0.00 42.46 40.34 3eej s ILE 139 CO 0.12 0.52 0.84 -0.89 0.00 0.00 0.00 174.94 175.53 3eej s THR 140 N 1.23 4.72 -0.37 2.92 2.01 0.26 -1.78 115.64 124.63 3eej s THR 140 Ca 0.03 1.18 -0.19 0.00 0.31 0.00 0.00 61.69 63.02 3eej s THR 140 Cb -0.14 -4.22 0.00 0.00 0.01 0.00 0.00 72.50 68.16 3eej s THR 140 CO -0.10 -0.36 0.58 -0.54 -0.69 0.00 0.00 174.62 173.51 3eej s LYS 141 N 3.15 3.59 -0.11 4.92 1.02 0.33 -0.17 119.74 132.46 3eej s LYS 141 Ca 0.34 -0.12 -0.03 0.00 0.02 0.00 0.00 55.97 56.19 3eej s LYS 141 Cb -0.13 -3.83 -0.03 0.00 -0.52 0.00 0.00 37.83 33.31 3eej s LYS 141 CO 0.15 -0.73 -0.01 0.42 -0.92 0.00 0.00 175.35 174.26 3eej s ILE 142 N 2.57 4.22 -0.05 2.17 1.01 0.68 -1.17 121.20 130.63 3eej s ILE 142 Ca 0.21 -0.26 0.00 0.00 0.00 0.00 0.00 60.65 60.60 3eej s ILE 142 Cb -0.15 -2.81 0.02 0.00 0.01 0.00 0.00 42.46 39.54 3eej s ILE 142 CO 0.15 0.56 -0.02 -0.04 0.00 0.00 0.00 174.94 175.58 3eej s MET 143 N -0.40 0.69 0.24 2.79 -1.94 0.31 -0.52 119.30 120.47 3eej s MET 143 Ca 0.07 -0.01 -0.30 0.00 -1.71 0.00 0.00 55.69 53.74 3eej s MET 143 Cb -0.12 -0.84 -0.09 0.00 2.01 0.00 0.00 34.83 35.78 3eej s MET 143 CO 0.02 -0.16 1.35 -2.14 -0.01 0.00 0.00 175.02 174.08 3eej s PRO 144 N 1.28 4.35 0.84 2.03 0.02 -1.26 -0.46 135.00 141.80 3eej s PRO 144 Ca -0.06 2.16 -0.10 0.00 0.02 0.00 0.00 61.00 63.02 3eej s PRO 144 Cb -0.14 -3.14 0.10 0.00 0.02 0.00 0.00 34.50 31.34 3eej s PRO 144 CO -0.02 -0.29 1.11 -0.51 -0.33 0.00 0.00 177.00 176.96 3eej s LEU 145 N -0.51 2.85 0.42 -5.54 1.43 0.28 -4.82 118.68 112.78 3eej s LEU 145 Ca 0.56 1.94 0.23 0.00 -1.03 0.00 0.00 54.13 55.83 3eej s LEU 145 Cb -0.39 -4.47 1.23 0.00 0.03 0.00 0.00 46.19 42.59 3eej s LEU 145 CO 0.42 -2.54 1.72 -0.65 0.23 0.00 0.00 176.35 175.53 3eej h PRO 146 N -1.48 0.27 0.00 1.29 0.11 -1.94 0.23 132.00 130.47 3eej h PRO 146 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3eej h PRO 146 Cb 1.25 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3eej h PRO 146 CO 0.48 0.18 0.00 -0.85 -0.21 0.00 0.00 178.00 177.59 3eej n GLU 147 N -4.64 0.09 -3.18 1.05 0.00 -1.26 -4.89 120.64 107.82 3eej n GLU 147 Ca 0.29 0.12 -0.39 0.00 0.00 0.00 0.00 57.16 57.19 3eej n GLU 147 Cb 1.08 -1.62 -0.05 0.00 0.00 0.00 0.00 31.44 30.85 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 -3.05 5.11 0.10 3.84 2.01 0.80 -5.03 115.64 119.41 3eej s THR 148 Ca 0.12 1.18 -0.31 0.00 0.31 0.00 0.00 61.69 62.99 3eej s THR 148 Cb 0.15 -3.92 -0.10 0.00 0.01 0.00 0.00 72.50 68.64 3eej s THR 148 CO 0.51 0.26 1.84 -0.89 -0.69 0.00 0.00 174.62 175.65 3eej s THR 149 N 0.91 2.68 0.07 -0.82 2.01 -1.26 -4.79 115.64 114.44 3eej s THR 149 Ca 0.31 0.09 -0.31 0.00 0.31 0.00 0.00 61.69 62.09 3eej s THR 149 Cb -0.16 -3.06 -0.09 0.00 0.01 0.00 0.00 72.50 69.20 3eej s THR 149 CO 0.13 -0.00 1.77 -0.63 -0.69 0.00 0.00 174.62 175.20 3eej s ILE 150 N 3.09 2.94 0.57 1.82 1.01 -1.26 -4.98 121.20 124.38 3eej s ILE 150 Ca 0.82 0.28 -0.17 0.00 0.00 0.00 0.00 60.65 61.58 3eej s ILE 150 Cb -0.45 -3.18 -0.05 0.00 0.01 0.00 0.00 42.46 38.79 3eej s ILE 150 CO 0.37 -0.01 1.05 -2.16 0.00 0.00 0.00 174.94 174.20 3eej s PRO 151 N 3.19 3.44 0.49 2.79 0.04 -1.26 -5.01 135.00 138.67 3eej s PRO 151 Ca 0.79 1.25 -0.21 0.00 0.04 0.00 0.00 61.00 62.87 3eej s PRO 151 Cb -0.42 -2.05 -0.07 0.00 0.04 0.00 0.00 34.50 32.01 3eej s PRO 151 CO 0.35 -0.72 1.13 -1.14 0.04 0.00 0.00 177.00 176.66 3eej s GLN 152 N -3.84 3.65 0.16 4.56 0.74 -1.26 -5.05 119.66 118.62 3eej s GLN 152 Ca 0.65 1.64 -0.19 0.00 0.05 0.00 0.00 55.36 57.51 3eej s GLN 152 Cb -0.16 -2.23 0.04 0.00 1.10 0.00 0.00 33.01 31.76 3eej s GLN 152 CO 0.32 -0.61 0.51 -1.64 -0.55 0.00 0.00 175.29 173.32 3eej s MET 153 N -2.96 1.25 0.00 1.67 -1.94 -1.26 -4.68 119.30 111.38 3eej s MET 153 Ca 0.67 -0.70 0.00 0.00 -1.71 0.00 0.00 55.69 53.95 3eej s MET 153 Cb -0.25 0.52 0.00 0.00 2.01 0.00 0.00 34.83 37.12 3eej s MET 153 CO 0.29 -0.53 0.00 -0.40 -0.01 0.00 0.00 175.02 174.38 3eej n ASP 154 N -0.31 0.00 -3.83 3.03 5.68 -0.60 -4.97 116.55 115.55 3eej n ASP 154 Ca -0.14 -0.13 -0.13 0.00 -0.50 0.00 0.00 54.79 53.89 3eej n ASP 154 Cb 0.64 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 40.47 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 0.00 -0.01 0.02 2.12 2.01 -1.13 -4.98 115.64 113.67 3eej s THR 155 Ca 0.00 0.05 0.01 0.00 0.31 0.00 0.00 61.69 62.06 3eej s THR 155 Cb 0.00 -0.08 -0.02 0.00 0.01 0.00 0.00 72.50 72.41 3eej s THR 155 CO 0.00 0.02 -0.04 -0.36 -0.69 0.00 0.00 174.62 173.55 3eej s PHE 156 N 0.29 0.38 0.32 4.92 0.08 -1.26 -0.26 117.98 122.45 3eej s PHE 156 Ca -0.02 -0.43 -0.24 0.00 0.12 0.00 0.00 56.93 56.36 3eej s PHE 156 Cb -0.03 -0.25 -0.10 0.00 -0.57 0.00 0.00 43.02 42.07 3eej s PHE 156 CO -0.01 -0.12 0.90 -1.17 -0.10 0.00 0.00 175.22 174.72 3eej s LEU 157 N -1.25 4.27 -1.03 -0.37 2.96 0.79 -4.91 118.68 119.13 3eej s LEU 157 Ca -0.11 1.72 -0.22 0.00 -0.22 0.00 0.00 54.13 55.31 3eej s LEU 157 Cb -0.08 -4.03 0.07 0.00 0.50 0.00 0.00 46.19 42.64 3eej s LEU 157 CO -0.00 -0.10 1.42 -1.10 -1.32 0.00 0.00 176.35 175.25 3eej s GLN 158 N -2.25 3.64 0.32 1.98 -0.21 -1.26 -4.80 119.66 117.08 3eej s GLN 158 Ca 0.51 -1.34 0.04 0.00 0.02 0.00 0.00 55.36 54.59 3eej s GLN 158 Cb -0.16 -5.30 0.56 0.00 1.00 0.00 0.00 33.01 29.11 3eej s GLN 158 CO 0.21 -2.13 1.83 -0.22 -2.12 0.00 0.00 175.29 172.87 3eej h LYS 159 N 9.39 0.50 -0.08 2.91 3.64 -1.93 -1.69 116.57 129.31 3eej h LYS 159 Ca 0.22 -0.13 -0.00 0.00 -1.27 0.00 0.00 60.65 59.47 3eej h LYS 159 Cb 1.00 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.75 3eej h LYS 159 CO 1.37 0.58 0.03 0.37 -2.27 0.00 0.00 179.45 179.54 3eej h GLN 160 N 0.47 0.11 -0.25 1.90 5.75 -1.99 -1.48 115.11 119.62 3eej h GLN 160 Ca 0.09 -0.02 -0.19 0.00 -0.15 0.00 0.00 58.65 58.39 3eej h GLN 160 Cb 0.42 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 28.96 3eej h GLN 160 CO 0.02 0.24 -0.57 0.93 -2.65 0.00 0.00 178.83 176.79 3eej h GLU 161 N -0.04 0.83 -0.51 1.69 3.07 -1.89 -1.73 114.58 116.00 3eej h GLU 161 Ca 0.03 -0.56 0.05 0.00 -0.50 0.00 0.00 59.36 58.37 3eej h GLU 161 Cb 0.16 0.08 -0.06 0.00 -0.84 0.00 0.00 28.75 28.09 3eej h GLU 161 CO -0.00 1.19 -0.30 -0.11 -1.40 0.00 0.00 179.01 178.38 3eej n LEU 162 N -4.03 -0.54 0.16 1.33 7.94 -0.66 -2.78 117.00 118.41 3eej n LEU 162 Ca -0.05 1.02 0.12 0.00 -1.11 0.00 0.00 56.01 55.98 3eej n LEU 162 Cb 0.64 -0.17 0.11 0.00 0.53 0.00 0.00 43.42 44.53 3eej n LEU 162 CO 0.50 -0.80 0.46 -0.33 -1.11 0.00 0.00 177.39 176.12 3eej h GLU 163 N 0.00 0.00 -0.89 1.96 5.08 -0.85 0.19 114.58 120.07 3eej h GLU 163 Ca 0.08 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.55 3eej h GLU 163 Cb 0.21 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.34 3eej h GLU 163 CO -0.48 0.00 -0.44 1.04 -1.00 0.00 0.00 179.01 178.13 3eej n GLN 164 N -2.86 -0.30 -0.01 2.33 6.02 -0.69 -4.16 117.38 117.72 3eej n GLN 164 Ca 0.02 1.35 0.08 0.00 -0.01 0.00 0.00 57.00 58.45 3eej n GLN 164 Cb 0.53 -2.00 -0.15 0.00 1.02 0.00 0.00 30.24 29.64 3eej n GLN 164 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3eej n ARG 165 N -5.21 0.66 -4.30 -1.09 1.74 -1.10 -4.94 116.66 102.42 3eej n ARG 165 Ca 0.05 -0.13 -0.20 0.00 -0.77 0.00 0.00 57.85 56.80 3eej n ARG 165 Cb 0.29 -1.56 -0.11 0.00 -1.02 0.00 0.00 32.46 30.06 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 -3.37 1.66 0.29 -1.55 0.08 0.04 -0.88 117.98 114.26 3eej s PHE 166 Ca -0.07 -0.51 0.12 0.00 0.12 0.00 0.00 56.93 56.59 3eej s PHE 166 Cb 0.12 -0.84 -0.05 0.00 -0.57 0.00 0.00 43.02 41.68 3eej s PHE 166 CO 0.89 0.26 -0.19 1.52 -0.10 0.00 0.00 175.22 177.60 3eej s TYR 167 N -2.13 2.30 -0.46 0.36 1.13 -0.11 -4.49 117.35 113.95 3eej s TYR 167 Ca 0.14 -0.35 -0.29 0.00 -1.41 0.00 0.00 57.07 55.16 3eej s TYR 167 Cb -0.05 -1.03 0.01 0.00 -1.10 0.00 0.00 41.96 39.79 3eej s TYR 167 CO 0.05 0.70 1.38 0.34 -2.51 0.00 0.00 175.55 175.52 3eej s ASP 168 N -3.52 6.31 -0.36 -0.18 -1.08 -1.26 -1.30 116.67 115.28 3eej s ASP 168 Ca 0.30 0.66 0.06 0.00 -0.52 0.00 0.00 52.55 53.06 3eej s ASP 168 Cb -0.04 -2.54 0.52 0.00 -1.46 0.00 0.00 42.92 39.40 3eej s ASP 168 CO 0.15 -1.48 1.57 -3.20 0.52 0.00 0.00 175.17 172.73 3eej n ASN 169 N 8.91 3.50 0.29 -0.34 5.15 0.15 -4.75 115.26 128.17 3eej n ASN 169 Ca 0.15 -3.77 0.19 0.00 -0.60 0.00 0.00 54.58 50.55 3eej n ASN 169 Cb 0.48 -0.67 0.83 0.00 -0.53 0.00 0.00 39.78 39.89 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 1.24 0.00 -0.07 1.20 0.02 -1.84 -0.76 113.55 113.34 3eej h SER 170 Ca 0.35 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 61.32 3eej h SER 170 Cb 1.75 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 64.29 3eej h SER 170 CO 0.68 0.00 0.24 0.44 -1.14 0.00 0.00 176.83 177.05 3eej h ASP 171 N 0.00 0.00 -0.44 3.07 3.32 -1.91 -1.22 116.42 119.24 3eej h ASP 171 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3eej h ASP 171 Cb 0.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.90 3eej h ASP 171 CO 0.00 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 177.81 3eej n LYS 172 N -3.19 2.84 0.09 3.56 4.76 -0.29 -4.71 118.16 121.22 3eej n LYS 172 Ca -0.01 -2.20 -0.12 0.00 -2.87 0.00 0.00 58.31 53.11 3eej n LYS 172 Cb 0.32 -1.34 -0.06 0.00 -1.84 0.00 0.00 35.03 32.10 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 2.57 -0.32 -0.73 -0.35 5.85 -1.29 -2.05 115.31 118.99 3eej h LEU 173 Ca 0.00 0.04 0.15 0.00 0.84 0.00 0.00 57.88 58.91 3eej h LEU 173 Cb 0.80 0.12 -0.11 0.00 0.37 0.00 0.00 40.66 41.84 3eej h LEU 173 CO 0.00 -0.18 0.18 0.58 -0.34 0.00 0.00 178.44 178.69 3eej h VAL 174 N -0.25 0.54 0.00 1.05 2.07 -1.84 -0.27 116.25 117.54 3eej h VAL 174 Ca 0.01 -0.10 -0.09 0.00 0.82 0.00 0.00 66.70 67.34 3eej h VAL 174 Cb 0.25 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 3eej h VAL 174 CO -0.05 0.05 -0.45 0.44 0.02 0.00 0.00 177.57 177.58 3eej h ASP 175 N 0.28 0.00 0.62 0.57 3.32 -1.86 -3.16 116.42 116.20 3eej h ASP 175 Ca 0.41 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.31 3eej h ASP 175 Cb 0.68 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.21 3eej h ASP 175 CO -0.49 0.45 -0.69 0.15 -1.72 0.00 0.00 179.24 176.94 3eej h PHE 176 N 0.00 0.08 -4.17 4.55 3.57 -0.33 -3.46 116.94 117.17 3eej h PHE 176 Ca -0.00 -0.03 -0.48 0.00 3.53 0.00 0.00 57.97 60.98 3eej h PHE 176 Cb 0.91 -0.01 0.04 0.00 2.79 0.00 0.00 35.95 39.68 3eej h PHE 176 CO 0.00 0.73 0.38 -0.51 -2.23 0.00 0.00 178.31 176.67 3eej s LEU 177 N -7.53 3.59 0.56 0.59 1.02 -0.84 -4.98 118.68 111.10 3eej s LEU 177 Ca -0.02 1.77 -0.21 0.00 0.02 0.00 0.00 54.13 55.69 3eej s LEU 177 Cb 0.12 -4.53 -0.04 0.00 0.02 0.00 0.00 46.19 41.76 3eej s LEU 177 CO 0.78 -0.95 1.32 -2.65 0.02 0.00 0.00 176.35 174.88 3eej n PRO 178 N -1.73 1.55 0.00 1.29 -0.02 -1.26 -4.77 135.00 130.06 3eej n PRO 178 Ca 0.08 0.58 0.14 0.00 -2.02 0.00 0.00 63.50 62.28 3eej n PRO 178 Cb 0.53 -2.54 0.77 0.00 -0.02 0.00 0.00 33.50 32.24 3eej n PRO 178 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3eej n SER 179 N -1.10 0.00 -0.01 2.55 3.41 -1.26 -2.39 113.62 114.82 3eej n SER 179 Ca 0.11 -0.53 0.11 0.00 -0.26 0.00 0.00 58.87 58.30 3eej n SER 179 Cb 0.45 -0.13 0.02 0.00 -0.26 0.00 0.00 64.21 64.29 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 -1.13 0.83 -4.77 4.04 3.41 -1.26 -4.93 113.62 109.81 3eej n SER 180 Ca 0.17 -0.74 -0.37 0.00 -0.26 0.00 0.00 58.87 57.68 3eej n SER 180 Cb 0.15 0.71 -0.01 0.00 -0.26 0.00 0.00 64.21 64.80 3eej n SER 180 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3eej s ILE 181 N -2.99 3.21 -0.10 -1.33 1.01 -1.00 -5.02 121.20 114.97 3eej s ILE 181 Ca 0.09 0.88 0.03 0.00 0.00 0.00 0.00 60.65 61.65 3eej s ILE 181 Cb 0.17 -3.43 0.01 0.00 0.01 0.00 0.00 42.46 39.21 3eej s ILE 181 CO 0.80 -0.04 -0.19 -1.58 0.00 0.00 0.00 174.94 173.93 3eej s GLN 182 N -2.78 2.57 -0.10 2.79 0.74 -1.26 -5.04 119.66 116.58 3eej s GLN 182 Ca 0.64 -0.70 -0.02 0.00 0.05 0.00 0.00 55.36 55.33 3eej s GLN 182 Cb -0.27 -2.05 -0.03 0.00 1.10 0.00 0.00 33.01 31.76 3eej s GLN 182 CO 0.32 0.05 -0.02 -0.51 -0.55 0.00 0.00 175.29 174.58 3eej s LEU 183 N 0.67 3.42 0.09 3.68 1.43 -1.26 -5.03 118.68 121.69 3eej s LEU 183 Ca -0.12 0.05 -0.14 0.00 -1.03 0.00 0.00 54.13 52.89 3eej s LEU 183 Cb -0.16 -1.78 -0.14 0.00 0.03 0.00 0.00 46.19 44.13 3eej s LEU 183 CO 0.03 0.33 1.32 -0.08 0.23 0.00 0.00 176.35 178.18 3eej h GLU 184 N 5.53 0.74 -7.66 1.70 4.57 -1.98 -3.46 114.58 114.01 3eej h GLU 184 Ca -0.46 -0.55 -0.45 0.00 -1.18 0.00 0.00 59.36 56.72 3eej h GLU 184 Cb 1.19 0.10 0.14 0.00 -0.16 0.00 0.00 28.75 30.02 3eej h GLU 184 CO 0.56 1.17 0.35 0.20 -1.18 0.00 0.00 179.01 180.11 3eej s GLY 185 N -3.98 1.77 0.28 1.92 0.00 -1.25 -5.06 107.32 101.00 3eej s GLY 185 Ca -0.11 -1.31 0.11 0.00 0.00 0.00 0.00 44.72 43.41 3eej s GLY 185 CO 0.88 -0.59 -0.16 0.50 0.00 0.00 0.00 173.10 173.72 3eej s ARG 186 N -5.72 1.79 0.47 2.90 0.52 -1.26 -4.91 118.95 112.74 3eej s ARG 186 Ca 0.72 -1.72 -0.22 0.00 -0.52 0.00 0.00 55.73 53.99 3eej s ARG 186 Cb -0.04 -1.83 -0.07 0.00 0.52 0.00 0.00 34.95 33.52 3eej s ARG 186 CO 0.51 0.33 1.17 -1.17 0.02 0.00 0.00 175.30 176.16 3eej s LEU 187 N -3.54 3.97 -0.30 2.53 2.96 -1.26 -4.34 118.68 118.70 3eej s LEU 187 Ca 0.30 2.31 -0.14 0.00 -0.22 0.00 0.00 54.13 56.38 3eej s LEU 187 Cb -0.05 -4.29 0.18 0.00 0.50 0.00 0.00 46.19 42.53 3eej s LEU 187 CO 0.16 -0.98 1.04 -0.89 -1.32 0.00 0.00 176.35 174.36 3eej s THR 188 N -1.56 -0.38 -0.24 3.68 2.01 -1.14 -5.00 115.64 113.01 3eej s THR 188 Ca 0.65 0.00 -0.05 0.00 0.31 0.00 0.00 61.69 62.60 3eej s THR 188 Cb -0.28 -1.00 -0.01 0.00 0.01 0.00 0.00 72.50 71.21 3eej s THR 188 CO 0.34 0.00 0.00 -0.44 -0.69 0.00 0.00 174.62 173.84 3eej s SER 189 N 2.61 4.63 -0.04 3.53 0.01 -1.26 -1.98 113.70 121.20 3eej s SER 189 Ca -0.01 -0.36 0.02 0.00 1.31 0.00 0.00 55.95 56.91 3eej s SER 189 Cb -0.07 -1.81 0.02 0.00 0.21 0.00 0.00 66.02 64.36 3eej s SER 189 CO -0.15 -0.04 -0.07 -1.58 0.41 0.00 0.00 173.24 171.82 3eej s GLN 190 N 1.52 1.01 0.13 12.44 2.00 0.41 -4.96 119.66 132.21 3eej s GLN 190 Ca 0.06 -0.21 -0.30 0.00 -2.00 0.00 0.00 55.36 52.91 3eej s GLN 190 Cb -0.15 -0.94 -0.07 0.00 0.80 0.00 0.00 33.01 32.66 3eej s GLN 190 CO -0.01 -0.01 1.13 -2.00 -0.50 0.00 0.00 175.29 173.90 3eej s GLU 191 N 0.67 4.53 -0.10 1.67 2.12 -1.26 -0.64 118.70 125.69 3eej s GLU 191 Ca -0.10 1.73 -0.04 0.00 0.36 0.00 0.00 54.97 56.92 3eej s GLU 191 Cb -0.13 -3.31 0.05 0.00 0.26 0.00 0.00 34.13 31.00 3eej s GLU 191 CO 0.01 -0.05 0.17 -0.46 -0.54 0.00 0.00 175.26 174.38 3eej s TRP 192 N 0.28 -0.19 -1.54 5.30 -0.00 0.37 -4.87 118.94 118.28 3eej s TRP 192 Ca 0.53 0.57 -0.04 0.00 -0.00 0.00 0.00 56.10 57.16 3eej s TRP 192 Cb -0.29 -0.27 0.04 0.00 -0.00 0.00 0.00 33.47 32.95 3eej s TRP 192 CO 0.33 -0.31 0.28 0.09 -0.00 0.00 0.00 176.95 177.34 3eej n ASN 193 N 5.32 -0.16 0.00 5.86 5.03 -1.26 -1.54 115.26 128.52 3eej n ASN 193 Ca -0.05 -1.15 0.00 0.00 0.87 0.00 0.00 54.58 54.25 3eej n ASN 193 Cb 0.50 -2.23 0.00 0.00 -1.02 0.00 0.00 39.78 37.03 3eej n ASN 193 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3eej n GLY 194 N -2.12 2.14 3.85 7.41 0.00 -1.26 -5.02 105.19 110.18 3eej n GLY 194 Ca -0.24 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.44 3eej n GLY 194 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3eej s GLU 195 N -0.00 3.28 -0.21 1.61 -1.05 -0.59 -5.10 118.70 116.64 3eej s GLU 195 Ca 0.00 -0.39 -0.28 0.00 -0.15 0.00 0.00 54.97 54.15 3eej s GLU 195 Cb 0.00 -3.00 0.00 0.00 -0.44 0.00 0.00 34.13 30.70 3eej s GLU 195 CO 0.00 0.66 1.00 -1.17 0.95 0.00 0.00 175.26 176.70 3eej s LEU 196 N -1.85 4.12 -0.28 1.83 1.98 -1.26 -0.48 118.68 122.74 3eej s LEU 196 Ca 0.25 1.35 -0.03 0.00 -2.89 0.00 0.00 54.13 52.81 3eej s LEU 196 Cb -0.12 -3.48 0.03 0.00 0.66 0.00 0.00 46.19 43.28 3eej s LEU 196 CO 0.17 -0.60 -0.00 -0.69 -1.89 0.00 0.00 176.35 173.34 3eej s VAL 197 N 2.90 3.17 -0.06 1.68 1.01 0.19 -4.98 120.40 124.32 3eej s VAL 197 Ca 0.43 -1.12 0.04 0.00 0.00 0.00 0.00 61.98 61.33 3eej s VAL 197 Cb -0.16 -2.72 -0.00 0.00 0.00 0.00 0.00 36.38 33.51 3eej s VAL 197 CO 0.08 0.03 -0.18 -0.75 0.00 0.00 0.00 175.10 174.28 3eej s LYS 198 N 1.33 2.10 0.00 2.72 2.20 -1.26 -0.44 119.74 126.39 3eej s LYS 198 Ca -0.02 -0.66 0.00 0.00 -0.36 0.00 0.00 55.97 54.94 3eej s LYS 198 Cb -0.18 -1.74 0.00 0.00 -1.51 0.00 0.00 37.83 34.40 3eej s LYS 198 CO -0.01 0.20 0.00 0.41 -0.36 0.00 0.00 175.35 175.59 3eej n GLY 199 N 3.33 -0.56 3.34 5.54 0.00 -0.84 -4.61 105.19 111.40 3eej n GLY 199 Ca -0.19 -0.64 -0.38 0.00 0.00 0.00 0.00 46.02 44.81 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 4.15 0.23 0.99 1.43 -0.53 -2.86 118.68 122.09 3eej s LEU 200 Ca 0.00 -0.84 -0.30 0.00 -1.03 0.00 0.00 54.13 51.96 3eej s LEU 200 Cb 0.00 -1.92 -0.09 0.00 0.03 0.00 0.00 46.19 44.21 3eej s LEU 200 CO 0.00 -0.26 1.16 -2.16 0.23 0.00 0.00 176.35 175.32 3eej s PRO 201 N 1.50 4.55 0.19 1.29 0.04 -1.26 -1.60 135.00 139.71 3eej s PRO 201 Ca 0.02 1.86 0.04 0.00 0.04 0.00 0.00 61.00 62.95 3eej s PRO 201 Cb -0.18 -3.21 -0.05 0.00 0.04 0.00 0.00 34.50 31.10 3eej s PRO 201 CO 0.04 0.04 -0.04 0.08 0.04 0.00 0.00 177.00 177.15 3eej s VAL 202 N -0.59 1.04 -0.03 -0.36 1.01 0.47 -3.94 120.40 118.00 3eej s VAL 202 Ca 0.49 -2.04 0.07 0.00 0.00 0.00 0.00 61.98 60.50 3eej s VAL 202 Cb -0.33 -2.11 -0.01 0.00 0.00 0.00 0.00 36.38 33.92 3eej s VAL 202 CO 0.39 -0.51 -0.23 -1.10 0.00 0.00 0.00 175.10 173.65 3eej s GLN 203 N -3.82 2.07 -0.25 2.72 -0.21 -1.26 0.12 119.66 119.03 3eej s GLN 203 Ca 0.23 -0.84 -0.20 0.00 0.02 0.00 0.00 55.36 54.57 3eej s GLN 203 Cb 0.04 -1.91 0.07 0.00 1.00 0.00 0.00 33.01 32.21 3eej s GLN 203 CO 0.05 0.45 0.64 -2.00 -2.12 0.00 0.00 175.29 172.31 3eej s GLU 204 N -0.40 0.71 7.20 2.91 2.12 -0.65 -5.03 118.70 125.55 3eej s GLU 204 Ca 0.05 0.97 0.00 0.00 0.36 0.00 0.00 54.97 56.35 3eej s GLU 204 Cb -0.11 0.28 0.00 0.00 0.26 0.00 0.00 34.13 34.56 3eej s GLU 204 CO 0.01 -0.11 0.00 1.17 -0.54 0.00 0.00 175.26 175.78 3eej n LYS 205 N 3.26 0.00 -0.25 4.30 3.00 -1.26 -1.75 118.16 125.46 3eej n LYS 205 Ca -0.16 0.00 0.06 0.00 -0.00 0.00 0.00 58.31 58.20 3eej n LYS 205 Cb 0.56 0.00 0.18 0.00 0.00 0.00 0.00 35.03 35.77 3eej n LYS 205 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3eej n GLY 206 N 0.00 1.08 3.23 3.14 0.00 -1.26 -4.93 105.19 106.44 3eej n GLY 206 Ca 0.00 -0.43 -0.23 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.57 1.60 -0.01 1.61 2.02 -0.72 -0.56 117.35 119.72 3eej s TYR 207 Ca 0.26 -0.40 0.01 0.00 -0.37 0.00 0.00 57.07 56.57 3eej s TYR 207 Cb 0.15 -0.91 -0.04 0.00 -0.40 0.00 0.00 41.96 40.76 3eej s TYR 207 CO 0.16 0.12 0.03 -1.14 -1.57 0.00 0.00 175.55 173.14 3eej s GLN 208 N -1.50 2.89 0.01 -0.62 0.74 0.39 -1.64 119.66 119.94 3eej s GLN 208 Ca 0.05 -0.56 -0.08 0.00 0.05 0.00 0.00 55.36 54.82 3eej s GLN 208 Cb -0.09 -2.74 0.00 0.00 1.10 0.00 0.00 33.01 31.28 3eej s GLN 208 CO 0.03 0.64 0.16 -0.59 -0.55 0.00 0.00 175.29 174.97 3eej s PHE 209 N -1.12 0.05 -0.10 1.67 -0.71 0.12 -0.53 117.98 117.35 3eej s PHE 209 Ca 0.20 -0.18 0.02 0.00 -1.04 0.00 0.00 56.93 55.93 3eej s PHE 209 Cb -0.12 -0.04 0.01 0.00 -1.21 0.00 0.00 43.02 41.66 3eej s PHE 209 CO 0.11 -0.34 -0.15 0.71 -1.34 0.00 0.00 175.22 174.22 3eej s TYR 210 N -1.82 1.87 -0.12 3.49 1.51 -0.31 -0.39 117.35 121.58 3eej s TYR 210 Ca -0.11 -0.85 -0.29 0.00 -1.01 0.00 0.00 57.07 54.81 3eej s TYR 210 Cb -0.05 -1.36 -0.04 0.00 -0.11 0.00 0.00 41.96 40.40 3eej s TYR 210 CO -0.00 -0.44 1.63 -0.06 -1.11 0.00 0.00 175.55 175.57 3eej s PHE 211 N 0.95 2.05 0.20 2.71 0.08 -0.63 -0.52 117.98 122.82 3eej s PHE 211 Ca -0.08 0.37 0.07 0.00 0.12 0.00 0.00 56.93 57.40 3eej s PHE 211 Cb -0.15 -3.91 -0.05 0.00 -0.57 0.00 0.00 43.02 38.34 3eej s PHE 211 CO -0.01 -3.43 -0.12 0.95 -0.10 0.00 0.00 175.22 172.51 3eej s THR 212 N 4.50 1.56 -0.05 0.64 -4.23 -0.73 -1.45 115.64 115.87 3eej s THR 212 Ca 0.72 -2.16 0.03 0.00 -1.18 0.00 0.00 61.69 59.10 3eej s THR 212 Cb -0.30 -2.06 0.01 0.00 1.34 0.00 0.00 72.50 71.49 3eej s THR 212 CO 0.29 -0.58 -0.13 -0.22 -0.54 0.00 0.00 174.62 173.43 3eej s LEU 213 N -3.30 1.73 -0.04 4.79 2.96 -1.26 -2.02 118.68 121.55 3eej s LEU 213 Ca 0.22 -0.29 0.06 0.00 -0.22 0.00 0.00 54.13 53.90 3eej s LEU 213 Cb 0.01 -0.81 -0.02 0.00 0.50 0.00 0.00 46.19 45.86 3eej s LEU 213 CO 0.06 0.07 -0.23 -0.31 -1.32 0.00 0.00 176.35 174.62 3eej s TYR 214 N 0.43 2.45 0.04 5.38 2.02 0.75 0.30 117.35 128.72 3eej s TYR 214 Ca -0.10 -0.42 0.06 0.00 -0.37 0.00 0.00 57.07 56.23 3eej s TYR 214 Cb -0.14 -1.56 -0.02 0.00 -0.40 0.00 0.00 41.96 39.85 3eej s TYR 214 CO 0.03 -0.02 -0.17 0.99 -1.57 0.00 0.00 175.55 174.81 3eej s THR 215 N -0.54 1.36 0.26 -0.71 2.01 -0.42 0.07 115.64 117.67 3eej s THR 215 Ca 0.08 -1.07 -0.31 0.00 0.31 0.00 0.00 61.69 60.70 3eej s THR 215 Cb -0.11 -1.20 -0.13 0.00 0.01 0.00 0.00 72.50 71.07 3eej s THR 215 CO 0.00 0.11 1.43 0.29 -0.69 0.00 0.00 174.62 175.77 3eej n LYS 216 N 1.92 2.18 -1.20 4.92 4.76 -1.13 -0.94 118.16 128.67 3eej n LYS 216 Ca -0.17 0.77 -0.31 0.00 -2.87 0.00 0.00 58.31 55.73 3eej n LYS 216 Cb 0.54 -2.45 0.11 0.00 -1.84 0.00 0.00 35.03 31.39 3eej n LYS 216 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 3eej s LYS 217 N -0.60 1.89 0.47 1.97 1.02 -0.05 -4.77 119.74 119.67 3eej s LYS 217 Ca 0.66 1.10 -0.23 0.00 0.02 0.00 0.00 55.97 57.52 3eej s LYS 217 Cb -0.61 -1.86 -0.07 0.00 -0.52 0.00 0.00 37.83 34.77 3eej s LYS 217 CO 0.51 -1.88 1.25 -1.17 -0.92 0.00 0.00 175.35 173.13 3eej s LEU 218 N -6.06 4.01 -0.07 3.17 2.96 -1.26 -5.02 118.68 116.42 3eej s LEU 218 Ca 0.62 2.51 0.02 0.00 -0.22 0.00 0.00 54.13 57.07 3eej s LEU 218 Cb -0.18 -4.17 -0.02 0.00 0.50 0.00 0.00 46.19 42.31 3eej s LEU 218 CO 0.56 -1.09 -0.13 -1.61 -1.32 0.00 0.00 176.35 172.77 3eej s GLU 219 N -2.65 2.73 0.80 1.98 2.02 -1.26 -5.12 118.70 117.19 3eej s GLU 219 Ca 0.64 -0.67 -0.13 0.00 0.02 0.00 0.00 54.97 54.83 3eej s GLU 219 Cb -0.34 -2.46 0.08 0.00 0.10 0.00 0.00 34.13 31.51 3eej s GLU 219 CO 0.41 0.54 1.17 -1.01 0.02 0.00 0.00 175.26 176.40 3eej s HIS 220 N -0.51 1.96 -0.64 1.61 3.76 -1.26 -4.98 115.29 115.23 3eej s HIS 220 Ca 0.07 1.67 -0.17 0.00 -0.15 0.00 0.00 55.06 56.47 3eej s HIS 220 Cb -0.12 -3.37 0.13 0.00 1.11 0.00 0.00 32.58 30.33 3eej s HIS 220 CO 0.02 -2.58 0.69 -1.58 -0.85 0.00 0.00 174.74 170.43 3eej s HIS 221 N -2.34 3.20 -0.21 1.40 2.46 -1.26 -4.87 115.29 113.68 3eej s HIS 221 Ca 0.70 -1.26 -0.07 0.00 0.47 0.00 0.00 55.06 54.90 3eej s HIS 221 Cb -0.25 -3.94 -0.20 0.00 -0.13 0.00 0.00 32.58 28.06 3eej s HIS 221 CO 0.51 -1.18 0.02 0.72 -2.47 0.00 0.00 174.74 172.34 3eej n HIS 222 N 5.65 0.58 -3.69 3.88 8.25 -1.26 -4.96 115.22 123.68 3eej n HIS 222 Ca -0.05 0.16 -0.10 0.00 -0.26 0.00 0.00 57.72 57.47 3eej n HIS 222 Cb 0.43 -1.07 -0.10 0.00 1.12 0.00 0.00 29.99 30.36 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 -2.51 -0.65 -0.22 4.41 5.65 -1.26 -5.13 115.29 115.57 3eej s HIS 223 Ca -0.30 1.36 -0.16 0.00 0.25 0.00 0.00 55.06 56.21 3eej s HIS 223 Cb 0.09 0.28 -0.04 0.00 -1.18 0.00 0.00 32.58 31.73 3eej s HIS 223 CO 0.64 -0.38 0.39 -1.58 -0.65 0.00 0.00 174.74 173.16 3eej s HIS 224 N 1.68 3.33 -0.02 3.88 2.46 -1.26 -5.12 115.29 120.24 3eej s HIS 224 Ca -0.08 0.55 -0.30 0.00 0.47 0.00 0.00 55.06 55.71 3eej s HIS 224 Cb -0.09 -2.54 -0.08 0.00 -0.13 0.00 0.00 32.58 29.73 3eej s HIS 224 CO -0.13 -0.08 2.03 1.58 -2.47 0.00 0.00 174.74 175.67 3eej n HIS 225 N 4.76 2.40 -4.20 3.88 -0.00 -1.26 -5.01 115.22 115.80 3eej n HIS 225 Ca -0.08 -0.33 -0.28 0.00 -0.00 0.00 0.00 57.72 57.03 3eej n HIS 225 Cb 0.51 -2.79 -0.08 0.00 -0.00 0.00 0.00 29.99 27.63 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 5.26 2.84 -2.31 1.57 3.76 -1.26 -5.34 115.29 119.81 3eej s HIS 226 Ca 0.92 -0.12 0.30 0.00 -0.15 0.00 0.00 55.06 56.00 3eej s HIS 226 Cb -0.42 -1.42 1.38 0.00 1.11 0.00 0.00 32.58 33.23 3eej s HIS 226 CO 0.41 0.49 1.93 0.72 -0.85 0.00 0.00 174.74 177.44