#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aij s GLU 2 N 0.00 1.16 -0.18 0.00 2.02 -1.26 -5.05 118.70 115.40 1aij s GLU 2 Ca 0.00 0.30 -0.04 0.00 0.02 0.00 0.00 54.97 55.25 1aij s GLU 2 Cb 0.00 -1.84 -0.02 0.00 0.10 0.00 0.00 34.13 32.37 1aij s GLU 2 CO 0.00 -2.18 -0.03 -0.47 0.02 0.00 0.00 175.26 172.59 1aij s TYR 3 N -3.27 3.00 -1.29 1.61 5.04 -1.26 -5.00 117.35 116.17 1aij s TYR 3 Ca 0.64 -0.48 0.26 0.00 -2.44 0.00 0.00 57.07 55.04 1aij s TYR 3 Cb -0.15 -2.02 0.60 0.00 0.35 0.00 0.00 41.96 40.75 1aij s TYR 3 CO 0.53 -0.20 1.47 1.04 -1.34 0.00 0.00 175.55 177.05 1aij n GLN 4 N 3.98 0.32 -3.64 4.97 1.13 -1.26 -4.97 117.38 117.92 1aij n GLN 4 Ca -0.17 -0.19 -0.24 0.00 -1.94 0.00 0.00 57.00 54.45 1aij n GLN 4 Cb 0.52 -1.50 0.07 0.00 0.11 0.00 0.00 30.24 29.44 1aij n GLN 4 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 1aij n ASN 5 N -1.17 -5.56 -0.08 1.08 5.15 -1.26 -4.91 115.26 108.50 1aij n ASN 5 Ca 0.08 -0.60 -0.13 0.00 -0.60 0.00 0.00 54.58 53.33 1aij n ASN 5 Cb 0.34 -4.82 -0.14 0.00 -0.53 0.00 0.00 39.78 34.63 1aij n ASN 5 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 1aij n ILE 6 N -4.86 1.50 -4.36 -1.44 2.08 -1.26 -4.90 119.36 106.13 1aij n ILE 6 Ca -0.02 -0.75 -0.20 0.00 0.56 0.00 0.00 62.75 62.34 1aij n ILE 6 Cb 0.57 -0.96 -0.16 0.00 -0.75 0.00 0.00 39.64 38.35 1aij n ILE 6 CO 0.00 0.00 0.00 -0.36 0.56 0.00 0.00 176.55 176.75 1aij s PHE 7 N -2.52 0.93 0.57 1.39 0.08 -1.26 -4.78 117.98 112.39 1aij s PHE 7 Ca -0.17 -0.24 -0.21 0.00 0.12 0.00 0.00 56.93 56.43 1aij s PHE 7 Cb 0.07 -0.68 -0.04 0.00 -0.57 0.00 0.00 43.02 41.80 1aij s PHE 7 CO 0.76 -0.12 1.31 0.43 -0.10 0.00 0.00 175.22 177.50 1aij n SER 8 N 3.43 2.37 -0.09 1.36 7.64 -0.32 -4.97 113.62 123.04 1aij n SER 8 Ca -0.19 0.93 -0.18 0.00 1.01 0.00 0.00 58.87 60.44 1aij n SER 8 Cb 0.54 -1.55 -0.12 0.00 -1.01 0.00 0.00 64.21 62.06 1aij n SER 8 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1aij h GLN 9 N 1.14 0.00 -5.46 1.43 4.20 -1.97 -3.47 115.11 110.98 1aij h GLN 9 Ca -0.51 0.00 -0.54 0.00 0.06 0.00 0.00 58.65 57.67 1aij h GLN 9 Cb 1.32 0.00 -0.30 0.00 0.30 0.00 0.00 27.48 28.80 1aij h GLN 9 CO 0.56 0.98 -0.83 0.54 -0.67 0.00 0.00 178.83 179.41 1aij s VAL 10 N -2.29 1.33 0.03 -0.54 0.11 -1.26 -5.12 120.40 112.66 1aij s VAL 10 Ca -0.24 -0.70 -0.01 0.00 -2.93 0.00 0.00 61.98 58.10 1aij s VAL 10 Cb 0.02 -1.12 -0.04 0.00 -1.53 0.00 0.00 36.38 33.70 1aij s VAL 10 CO 0.63 0.38 0.16 -1.10 -3.33 0.00 0.00 175.10 171.85 1aij s GLN 11 N -0.24 3.31 0.02 1.54 -0.21 -1.26 -5.10 119.66 117.73 1aij s GLN 11 Ca 0.03 -0.44 0.04 0.00 0.02 0.00 0.00 55.36 55.01 1aij s GLN 11 Cb -0.08 -2.99 -0.02 0.00 1.00 0.00 0.00 33.01 30.92 1aij s GLN 11 CO 0.00 0.63 -0.13 0.08 -2.12 0.00 0.00 175.29 173.76 1aij s VAL 12 N -1.39 1.00 -0.00 1.09 1.01 -1.26 -5.15 120.40 115.70 1aij s VAL 12 Ca 0.30 -0.84 -0.04 0.00 0.00 0.00 0.00 61.98 61.40 1aij s VAL 12 Cb -0.13 -0.90 -0.00 0.00 0.00 0.00 0.00 36.38 35.35 1aij s VAL 12 CO 0.22 0.05 0.08 -0.60 0.00 0.00 0.00 175.10 174.85 1aij s ARG 13 N -0.90 0.33 0.00 2.72 3.52 -1.26 -5.02 118.95 118.34 1aij s ARG 13 Ca 0.02 -0.31 0.00 0.00 -0.13 0.00 0.00 55.73 55.31 1aij s ARG 13 Cb -0.07 0.13 0.00 0.00 -1.56 0.00 0.00 34.95 33.46 1aij s ARG 13 CO 0.01 -0.07 0.00 0.41 -0.81 0.00 0.00 175.30 174.84 1aij n GLY 14 N 1.94 4.13 3.69 8.12 0.00 -1.26 -5.13 105.19 116.68 1aij n GLY 14 Ca -0.20 -1.57 -0.42 0.00 0.00 0.00 0.00 46.02 43.83 1aij n GLY 14 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1aij n PRO 15 N 0.00 2.01 -1.67 1.61 -0.02 -1.26 -4.91 135.00 130.76 1aij n PRO 15 Ca 0.00 0.71 -0.42 0.00 -2.02 0.00 0.00 63.50 61.76 1aij n PRO 15 Cb 0.00 -2.31 -0.00 0.00 -0.02 0.00 0.00 33.50 31.16 1aij n PRO 15 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1aij n ALA 16 N 0.13 0.96 -2.56 3.55 0.00 -1.26 -4.96 120.51 116.37 1aij n ALA 16 Ca 0.06 0.34 -0.40 0.00 0.00 0.00 0.00 53.44 53.43 1aij n ALA 16 Cb 0.37 -2.20 -0.09 0.00 0.00 0.00 0.00 19.45 17.53 1aij n ALA 16 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1aij s ASP 17 N -0.42 6.21 0.17 0.00 -1.08 -1.26 -4.94 116.67 115.34 1aij s ASP 17 Ca 0.57 -0.05 0.26 0.00 -0.52 0.00 0.00 52.55 52.81 1aij s ASP 17 Cb -0.58 -2.21 0.67 0.00 -1.46 0.00 0.00 42.92 39.34 1aij s ASP 17 CO 0.61 -0.30 1.63 0.18 0.52 0.00 0.00 175.17 177.80 1aij n LEU 18 N 5.40 0.75 0.00 -1.34 4.77 -1.26 -4.69 117.00 120.63 1aij n LEU 18 Ca -0.09 0.45 0.00 0.00 -0.03 0.00 0.00 56.01 56.34 1aij n LEU 18 Cb 0.50 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 1aij n LEU 18 CO 0.40 -0.13 0.00 0.61 -1.33 0.00 0.00 177.39 176.94 1aij n GLY 19 N 1.33 -3.12 3.86 -0.72 0.00 -1.26 -4.90 105.19 100.38 1aij n GLY 19 Ca 0.05 -2.15 -0.31 0.00 0.00 0.00 0.00 46.02 43.60 1aij n GLY 19 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1aij s MET 20 N -0.85 3.89 -0.19 1.61 -1.94 -1.26 -5.05 119.30 115.51 1aij s MET 20 Ca 0.00 0.64 -0.16 0.00 -1.71 0.00 0.00 55.69 54.46 1aij s MET 20 Cb 0.00 -2.35 -0.07 0.00 2.01 0.00 0.00 34.83 34.42 1aij s MET 20 CO 0.00 -0.02 -0.29 2.41 -0.01 0.00 0.00 175.02 177.10 1aij n THR 21 N -1.06 1.49 0.00 2.05 -1.04 -1.26 -4.94 114.28 109.52 1aij n THR 21 Ca 0.04 0.08 0.00 0.00 -2.04 0.00 0.00 64.05 62.12 1aij n THR 21 Cb 0.54 -2.28 0.00 0.00 -1.82 0.00 0.00 70.33 66.77 1aij n THR 21 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1aij n GLU 22 N -4.46 0.00 -0.63 -2.82 4.07 -1.26 -1.00 120.64 114.54 1aij n GLU 22 Ca -0.19 0.00 0.06 0.00 -0.06 0.00 0.00 57.16 56.97 1aij n GLU 22 Cb 0.53 0.00 0.29 0.00 -0.06 0.00 0.00 31.44 32.20 1aij n GLU 22 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 1aij n ASP 23 N 4.40 4.29 -4.74 4.31 8.00 0.17 -4.99 116.55 128.00 1aij n ASP 23 Ca 0.00 -3.08 -0.41 0.00 0.71 0.00 0.00 54.79 52.01 1aij n ASP 23 Cb 0.00 -0.60 -0.03 0.00 -0.02 0.00 0.00 41.12 40.47 1aij n ASP 23 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1aij s VAL 24 N -2.87 3.22 -0.61 2.53 1.01 -0.17 -4.87 120.40 118.64 1aij s VAL 24 Ca 0.46 1.00 -0.27 0.00 0.00 0.00 0.00 61.98 63.17 1aij s VAL 24 Cb 0.37 -3.64 0.01 0.00 0.00 0.00 0.00 36.38 33.12 1aij s VAL 24 CO 0.10 0.15 1.49 0.21 0.00 0.00 0.00 175.10 177.05 1aij s ASN 25 N 0.36 5.94 0.61 3.32 3.84 -1.26 -4.86 114.94 122.89 1aij s ASN 25 Ca 0.57 0.14 0.33 0.00 0.21 0.00 0.00 52.86 54.11 1aij s ASN 25 Cb -0.36 -2.55 1.93 0.00 -0.55 0.00 0.00 41.25 39.72 1aij s ASN 25 CO 0.38 -1.89 2.27 -0.07 -2.79 0.00 0.00 177.10 175.00 1aij h LEU 26 N 13.83 0.00 -1.80 3.21 4.07 -1.94 -2.05 115.31 130.63 1aij h LEU 26 Ca -0.27 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.67 1aij h LEU 26 Cb 1.10 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.84 1aij h LEU 26 CO 1.21 0.00 -0.07 0.00 -1.08 0.00 0.00 178.44 178.50 1aij h ALA 27 N 1.98 1.84 -0.10 1.53 0.00 -2.03 -2.11 119.26 120.37 1aij h ALA 27 Ca 0.01 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1aij h ALA 27 Cb 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1aij h ALA 27 CO -0.00 0.12 0.00 0.09 0.00 0.00 0.00 179.25 179.46 1aij n ASN 28 N -4.44 0.79 -4.84 0.00 3.02 -0.77 -4.85 115.26 104.18 1aij n ASN 28 Ca -0.02 -1.66 -0.37 0.00 -0.03 0.00 0.00 54.58 52.50 1aij n ASN 28 Cb 0.16 -0.06 -0.06 0.00 -0.61 0.00 0.00 39.78 39.20 1aij n ASN 28 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1aij s ARG 29 N -1.88 3.72 0.36 3.52 3.52 -0.79 -0.80 118.95 126.59 1aij s ARG 29 Ca 0.26 -0.01 -0.06 0.00 -0.13 0.00 0.00 55.73 55.78 1aij s ARG 29 Cb 0.13 -3.25 0.08 0.00 -1.56 0.00 0.00 34.95 30.35 1aij s ARG 29 CO 0.20 0.64 0.46 -1.13 -0.81 0.00 0.00 175.30 174.66 1aij n SER 30 N 2.32 -0.18 -4.52 -2.12 3.41 -0.05 -4.95 113.62 107.54 1aij n SER 30 Ca -0.17 -1.10 -0.26 0.00 -0.26 0.00 0.00 58.87 57.07 1aij n SER 30 Cb 0.54 -0.36 0.13 0.00 -0.26 0.00 0.00 64.21 64.26 1aij n SER 30 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1aij s GLY 31 N -3.90 1.76 0.33 5.00 0.00 -1.26 -4.58 107.32 104.67 1aij s GLY 31 Ca 0.26 -1.48 -0.27 0.00 0.00 0.00 0.00 44.72 43.23 1aij s GLY 31 CO 0.19 -0.86 1.06 0.14 0.00 0.00 0.00 173.10 173.62 1aij s VAL 32 N -3.40 3.65 0.00 1.40 1.01 -1.26 -4.02 120.40 117.78 1aij s VAL 32 Ca 0.68 1.46 0.00 0.00 0.00 0.00 0.00 61.98 64.13 1aij s VAL 32 Cb -0.05 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.47 1aij s VAL 32 CO 0.47 0.20 0.00 0.61 0.00 0.00 0.00 175.10 176.38 1aij n GLY 33 N 0.80 0.23 3.61 4.51 0.00 0.30 -4.95 105.19 109.70 1aij n GLY 33 Ca 0.02 -1.85 -0.28 0.00 0.00 0.00 0.00 46.02 43.90 1aij n GLY 33 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1aij s PRO 34 N -1.50 -0.15 -0.10 1.61 0.04 -1.26 -4.62 135.00 129.01 1aij s PRO 34 Ca 0.00 0.57 -0.02 0.00 0.04 0.00 0.00 61.00 61.59 1aij s PRO 34 Cb 0.00 -1.67 -0.03 0.00 0.04 0.00 0.00 34.50 32.84 1aij s PRO 34 CO 0.00 -3.14 -0.02 -0.06 0.04 0.00 0.00 177.00 173.82 1aij s PHE 35 N -2.80 3.08 -0.26 0.56 0.40 -1.26 -1.95 117.98 115.75 1aij s PHE 35 Ca 0.67 0.03 -0.05 0.00 -0.60 0.00 0.00 56.93 56.97 1aij s PHE 35 Cb -0.21 -1.83 -0.00 0.00 0.51 0.00 0.00 43.02 41.49 1aij s PHE 35 CO 0.60 0.30 0.02 0.45 0.70 0.00 0.00 175.22 177.29 1aij s SER 36 N -0.50 4.73 0.56 1.36 0.15 0.02 -4.96 113.70 115.05 1aij s SER 36 Ca 0.08 -0.55 0.31 0.00 0.70 0.00 0.00 55.95 56.50 1aij s SER 36 Cb -0.12 -1.81 1.64 0.00 -1.71 0.00 0.00 66.02 64.02 1aij s SER 36 CO 0.02 -0.10 2.13 0.74 1.20 0.00 0.00 173.24 177.23 1aij h THR 37 N 5.80 0.40 0.20 6.45 2.02 -1.98 -1.58 112.91 124.22 1aij h THR 37 Ca -0.36 -0.39 -0.01 0.00 0.77 0.00 0.00 66.41 66.42 1aij h THR 37 Cb 1.14 1.28 0.00 0.00 -1.74 0.00 0.00 68.15 68.83 1aij h THR 37 CO 0.59 0.07 -0.09 0.25 0.37 0.00 0.00 175.52 176.71 1aij h LEU 38 N 0.00 -0.22 -1.11 2.58 5.85 -1.96 -3.04 115.31 117.41 1aij h LEU 38 Ca -0.00 -0.29 0.02 0.00 0.84 0.00 0.00 57.88 58.45 1aij h LEU 38 Cb 0.27 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.31 1aij h LEU 38 CO 0.01 0.22 0.60 -0.07 -0.34 0.00 0.00 178.44 178.86 1aij h LEU 39 N -0.72 1.02 -2.43 2.25 3.38 -1.84 -2.28 115.31 114.69 1aij h LEU 39 Ca -0.03 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.93 1aij h LEU 39 Cb 0.50 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 1aij h LEU 39 CO 0.04 0.72 0.18 1.23 0.09 0.00 0.00 178.44 180.71 1aij h GLY 40 N 1.20 0.00 2.00 0.83 0.00 -1.21 0.22 103.07 106.11 1aij h GLY 40 Ca 0.35 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.61 1aij h GLY 40 CO -0.09 0.00 -0.31 1.49 0.00 0.00 0.00 176.54 177.63 1aij h TRP 41 N 0.00 0.00 0.00 5.60 4.06 -1.29 -3.37 115.95 120.95 1aij h TRP 41 Ca 0.01 0.00 -0.16 0.00 2.06 0.00 0.00 58.89 60.80 1aij h TRP 41 Cb 0.38 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.51 1aij h TRP 41 CO 0.00 0.31 -1.61 0.34 -3.56 0.00 0.00 178.44 173.92 1aij n PHE 42 N -3.41 0.00 -1.45 0.49 7.35 0.06 -1.17 117.46 119.33 1aij n PHE 42 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1aij n PHE 42 Cb 0.50 -0.42 0.00 0.00 0.35 0.00 0.00 39.48 39.91 1aij n PHE 42 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1aij n GLY 43 N 2.86 4.92 3.78 7.13 0.00 0.55 -4.93 105.19 119.51 1aij n GLY 43 Ca -0.18 -0.91 -0.37 0.00 0.00 0.00 0.00 46.02 44.56 1aij n GLY 43 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1aij s ASN 44 N 1.28 7.00 0.26 1.61 0.01 -1.26 -3.89 114.94 119.95 1aij s ASN 44 Ca 0.00 1.96 0.21 0.00 -0.71 0.00 0.00 52.86 54.32 1aij s ASN 44 Cb 0.00 -2.58 0.09 0.00 0.41 0.00 0.00 41.25 39.17 1aij s ASN 44 CO 0.00 -0.31 1.23 0.00 -1.51 0.00 0.00 177.10 176.51 1aij h ALA 45 N 2.77 0.69 -2.73 0.60 0.00 -1.84 -3.36 119.26 115.39 1aij h ALA 45 Ca -0.48 -0.18 -0.52 0.00 0.00 0.00 0.00 54.91 53.74 1aij h ALA 45 Cb 1.20 0.03 0.03 0.00 0.00 0.00 0.00 17.79 19.05 1aij h ALA 45 CO 0.63 0.21 0.56 -1.14 0.00 0.00 0.00 179.25 179.51 1aij s GLN 46 N -3.21 4.50 -0.08 0.00 0.74 -1.26 -0.80 119.66 119.55 1aij s GLN 46 Ca 0.02 1.93 0.01 0.00 0.05 0.00 0.00 55.36 57.37 1aij s GLN 46 Cb 0.08 -3.20 -0.02 0.00 1.10 0.00 0.00 33.01 30.97 1aij s GLN 46 CO 0.75 -0.05 -0.11 -0.51 -0.55 0.00 0.00 175.29 174.82 1aij s LEU 47 N -0.76 2.87 0.01 3.68 1.02 -0.82 -4.94 118.68 119.74 1aij s LEU 47 Ca 0.51 -0.18 0.00 0.00 0.02 0.00 0.00 54.13 54.48 1aij s LEU 47 Cb -0.34 -1.62 0.00 0.00 0.02 0.00 0.00 46.19 44.25 1aij s LEU 47 CO 0.40 0.29 0.00 0.61 0.02 0.00 0.00 176.35 177.68 1aij n GLY 48 N 2.68 -1.49 3.70 -3.19 0.00 -1.26 -0.54 105.19 105.09 1aij n GLY 48 Ca -0.18 -1.52 -0.29 0.00 0.00 0.00 0.00 46.02 44.04 1aij n GLY 48 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1aij s PRO 49 N -1.34 0.61 0.13 1.61 0.04 -1.26 -4.67 135.00 130.13 1aij s PRO 49 Ca 0.00 0.50 0.08 0.00 0.04 0.00 0.00 61.00 61.62 1aij s PRO 49 Cb 0.00 -1.76 -0.04 0.00 0.04 0.00 0.00 34.50 32.74 1aij s PRO 49 CO 0.00 -2.61 -0.18 -1.50 0.04 0.00 0.00 177.00 172.75 1aij s ILE 50 N -3.01 1.65 -0.04 0.56 2.07 -1.26 -4.91 121.20 116.26 1aij s ILE 50 Ca 0.65 -1.71 -0.15 0.00 -1.41 0.00 0.00 60.65 58.03 1aij s ILE 50 Cb -0.18 -1.64 -0.05 0.00 0.13 0.00 0.00 42.46 40.72 1aij s ILE 50 CO 0.57 -0.24 0.39 -0.47 -1.91 0.00 0.00 174.94 173.28 1aij s TYR 51 N -1.71 3.66 -0.41 3.50 6.14 -1.26 -0.87 117.35 126.40 1aij s TYR 51 Ca 0.10 0.90 0.07 0.00 0.64 0.00 0.00 57.07 58.79 1aij s TYR 51 Cb -0.07 -2.31 0.24 0.00 0.42 0.00 0.00 41.96 40.24 1aij s TYR 51 CO 0.05 0.54 0.51 1.28 0.64 0.00 0.00 175.55 178.57 1aij n LEU 52 N 2.29 0.37 0.00 6.97 4.77 0.02 -4.91 117.00 126.50 1aij n LEU 52 Ca -0.13 -4.70 -0.21 0.00 -0.03 0.00 0.00 56.01 50.94 1aij n LEU 52 Cb 0.52 0.52 0.14 0.00 -2.33 0.00 0.00 43.42 42.27 1aij n LEU 52 CO 0.38 2.03 0.62 0.61 -1.33 0.00 0.00 177.39 179.70 1aij n GLY 53 N 1.58 -1.26 0.37 -0.72 0.00 -1.26 -4.73 105.19 99.17 1aij n GLY 53 Ca 0.23 -1.72 0.14 0.00 0.00 0.00 0.00 46.02 44.67 1aij n GLY 53 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1aij h SER 54 N -1.20 0.73 -0.37 1.61 0.02 -1.99 -1.27 113.55 111.08 1aij h SER 54 Ca -0.30 0.08 -0.09 0.00 -0.84 0.00 0.00 61.79 60.64 1aij h SER 54 Cb 0.85 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.33 1aij h SER 54 CO 0.22 0.28 -0.12 0.25 -1.14 0.00 0.00 176.83 176.32 1aij h LEU 55 N 0.72 0.75 -0.91 5.07 5.85 -1.95 -0.61 115.31 124.23 1aij h LEU 55 Ca 0.55 -0.38 0.01 0.00 0.84 0.00 0.00 57.88 58.90 1aij h LEU 55 Cb 0.91 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.69 1aij h LEU 55 CO -0.33 0.95 0.60 1.23 -0.34 0.00 0.00 178.44 180.55 1aij h GLY 56 N 0.53 1.29 0.91 3.75 0.00 -1.62 -1.03 103.07 106.91 1aij h GLY 56 Ca 0.09 -0.49 -0.02 0.00 0.00 0.00 0.00 47.33 46.91 1aij h GLY 56 CO 0.04 0.48 0.11 -2.08 0.00 0.00 0.00 176.54 175.09 1aij h VAL 57 N 1.24 1.19 -0.31 4.60 2.07 -0.90 -1.78 116.25 122.35 1aij h VAL 57 Ca 0.33 -0.59 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 1aij h VAL 57 Cb -0.13 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 1aij h VAL 57 CO -0.07 0.20 0.15 0.25 0.02 0.00 0.00 177.57 178.12 1aij h LEU 58 N 0.34 0.41 -0.29 2.57 5.85 -0.83 -0.71 115.31 122.65 1aij h LEU 58 Ca 0.10 -0.13 0.04 0.00 0.84 0.00 0.00 57.88 58.73 1aij h LEU 58 Cb 0.21 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 1aij h LEU 58 CO -0.01 0.42 0.07 -1.28 -0.34 0.00 0.00 178.44 177.31 1aij h SER 59 N 0.37 0.05 -0.65 1.25 0.87 -1.09 -0.80 113.55 113.54 1aij h SER 59 Ca 0.11 0.04 -0.06 0.00 -1.23 0.00 0.00 61.79 60.65 1aij h SER 59 Cb 0.12 0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.10 1aij h SER 59 CO -0.01 0.06 0.18 -0.07 -0.53 0.00 0.00 176.83 176.46 1aij h LEU 60 N 0.19 0.98 0.61 2.23 3.38 -1.15 -0.77 115.31 120.77 1aij h LEU 60 Ca 0.13 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 1aij h LEU 60 Cb 0.12 -0.26 0.01 0.00 0.09 0.00 0.00 40.66 40.62 1aij h LEU 60 CO -0.16 0.94 -0.29 0.15 0.09 0.00 0.00 178.44 179.17 1aij h PHE 61 N 0.96 -0.76 -0.79 1.13 3.57 -0.51 -0.04 116.94 120.50 1aij h PHE 61 Ca 0.21 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.71 1aij h PHE 61 Cb 0.33 0.25 -0.04 0.00 2.79 0.00 0.00 35.95 39.28 1aij h PHE 61 CO 0.02 -0.44 0.52 0.77 -2.23 0.00 0.00 178.31 176.96 1aij h SER 62 N -0.94 0.87 -0.57 0.41 0.02 -1.15 0.62 113.55 112.82 1aij h SER 62 Ca -0.08 -0.02 -0.11 0.00 -0.84 0.00 0.00 61.79 60.74 1aij h SER 62 Cb 0.67 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.98 1aij h SER 62 CO 0.14 0.61 -0.06 1.23 -1.14 0.00 0.00 176.83 177.61 1aij h GLY 63 N 1.02 1.13 1.34 -3.77 0.00 -1.03 0.19 103.07 101.95 1aij h GLY 63 Ca 0.30 -0.88 -0.12 0.00 0.00 0.00 0.00 47.33 46.63 1aij h GLY 63 CO -0.08 0.81 -0.28 1.41 0.00 0.00 0.00 176.54 178.40 1aij h LEU 64 N 0.93 0.77 -0.83 3.11 3.38 -0.38 -1.52 115.31 120.76 1aij h LEU 64 Ca 0.15 -0.30 -0.06 0.00 0.09 0.00 0.00 57.88 57.77 1aij h LEU 64 Cb 0.63 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 1aij h LEU 64 CO 0.04 1.00 0.20 0.24 0.09 0.00 0.00 178.44 180.02 1aij h MET 65 N 0.64 1.07 -0.11 1.13 2.86 -0.47 0.17 114.93 120.23 1aij h MET 65 Ca 0.08 -0.23 0.03 0.00 -2.06 0.00 0.00 59.70 57.51 1aij h MET 65 Cb 0.80 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 32.27 1aij h MET 65 CO 0.07 0.92 -0.05 2.35 1.06 0.00 0.00 176.91 181.26 1aij h TRP 66 N 1.03 -0.11 -0.85 -0.22 7.01 -0.28 0.45 115.95 122.99 1aij h TRP 66 Ca 0.22 0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.23 1aij h TRP 66 Cb 0.31 0.07 -0.04 0.00 -2.10 0.00 0.00 29.16 27.39 1aij h TRP 66 CO 0.02 -0.08 0.52 0.35 -2.79 0.00 0.00 178.44 176.47 1aij h PHE 67 N -0.04 1.10 -0.30 2.65 3.57 -0.86 -2.67 116.94 120.40 1aij h PHE 67 Ca 0.06 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.48 1aij h PHE 67 Cb 0.12 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 38.49 1aij h PHE 67 CO -0.17 0.72 -0.16 0.35 -2.23 0.00 0.00 178.31 176.82 1aij h PHE 68 N 1.16 0.73 -0.57 0.41 3.57 0.41 0.42 116.94 123.07 1aij h PHE 68 Ca 0.31 -0.19 0.00 0.00 3.53 0.00 0.00 57.97 61.62 1aij h PHE 68 Cb -0.07 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.48 1aij h PHE 68 CO 0.00 0.87 0.36 1.15 -2.23 0.00 0.00 178.31 178.47 1aij h THR 69 N 0.38 1.16 -0.29 4.41 2.02 -0.80 0.26 112.91 120.05 1aij h THR 69 Ca 0.06 -0.32 -0.04 0.00 0.77 0.00 0.00 66.41 66.88 1aij h THR 69 Cb 0.69 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 1aij h THR 69 CO 0.05 0.16 0.02 0.40 0.37 0.00 0.00 175.52 176.51 1aij h ILE 70 N 0.77 1.25 -0.41 3.11 2.04 -1.45 -2.92 117.51 119.90 1aij h ILE 70 Ca 0.21 -0.89 0.00 0.00 1.00 0.00 0.00 64.86 65.18 1aij h ILE 70 Cb -0.06 1.26 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 1aij h ILE 70 CO -0.04 0.29 0.27 1.23 0.00 0.00 0.00 178.15 179.89 1aij h GLY 71 N 0.30 0.59 1.16 5.37 0.00 -0.51 -1.37 103.07 108.62 1aij h GLY 71 Ca 0.08 -0.23 -0.10 0.00 0.00 0.00 0.00 47.33 47.09 1aij h GLY 71 CO 0.01 0.22 -0.04 1.19 0.00 0.00 0.00 176.54 177.92 1aij h ILE 72 N 0.56 1.26 -0.56 2.60 2.10 -0.97 -0.71 117.51 121.79 1aij h ILE 72 Ca 0.15 -1.17 -0.05 0.00 1.08 0.00 0.00 64.86 64.87 1aij h ILE 72 Cb -0.05 0.87 -0.02 0.00 -1.09 0.00 0.00 36.82 36.53 1aij h ILE 72 CO -0.03 0.42 0.15 -0.25 -1.08 0.00 0.00 178.15 177.36 1aij h TRP 73 N 0.91 0.94 -0.45 2.19 2.91 -1.29 0.16 115.95 121.31 1aij h TRP 73 Ca 0.16 -0.11 -0.00 0.00 1.13 0.00 0.00 58.89 60.07 1aij h TRP 73 Cb 0.58 -0.27 -0.02 0.00 -0.51 0.00 0.00 29.16 28.95 1aij h TRP 73 CO 0.04 0.80 0.26 0.74 -1.03 0.00 0.00 178.44 179.25 1aij h PHE 74 N 0.80 0.60 -0.80 2.65 -1.00 -0.89 0.14 116.94 118.44 1aij h PHE 74 Ca 0.18 -0.01 -0.02 0.00 2.81 0.00 0.00 57.97 60.94 1aij h PHE 74 Cb 0.32 -0.19 -0.04 0.00 3.61 0.00 0.00 35.95 39.65 1aij h PHE 74 CO 0.02 0.43 0.44 -1.49 -1.61 0.00 0.00 178.31 176.10 1aij h TRP 75 N 0.59 1.09 -0.01 -0.55 4.06 -0.67 0.03 115.95 120.49 1aij h TRP 75 Ca 0.16 -0.02 -0.00 0.00 2.06 0.00 0.00 58.89 61.09 1aij h TRP 75 Cb 0.02 -0.35 -0.00 0.00 -1.00 0.00 0.00 29.16 27.83 1aij h TRP 75 CO -0.03 0.76 0.00 -0.92 -3.56 0.00 0.00 178.44 174.69 1aij h TYR 76 N 1.12 0.01 0.00 0.49 3.20 -0.42 -0.23 116.97 121.14 1aij h TYR 76 Ca 0.28 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.15 1aij h TYR 76 Cb 0.03 -0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.29 1aij h TYR 76 CO 0.01 0.15 -0.01 1.96 -1.64 0.00 0.00 178.16 178.63 1aij h GLN 77 N -0.13 0.00 -0.16 1.82 4.20 -0.05 0.12 115.11 120.90 1aij h GLN 77 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1aij h GLN 77 Cb 0.15 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.93 1aij h GLN 77 CO -0.00 0.01 0.00 0.00 -0.67 0.00 0.00 178.83 178.17 1aij n ALA 78 N -2.32 2.51 -2.34 3.87 0.00 -0.07 -4.91 120.51 117.25 1aij n ALA 78 Ca -0.03 -0.37 -0.20 0.00 0.00 0.00 0.00 53.44 52.84 1aij n ALA 78 Cb 0.10 -1.08 -0.02 0.00 0.00 0.00 0.00 19.45 18.45 1aij n ALA 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aij n GLY 79 N 0.92 -0.31 2.62 0.00 0.00 0.40 -1.70 105.19 107.12 1aij n GLY 79 Ca 0.11 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.01 1aij n GLY 79 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1aij n TRP 80 N -3.83 -0.06 -3.30 1.61 7.02 -0.14 -4.97 117.44 113.78 1aij n TRP 80 Ca -0.24 0.00 -0.41 0.00 -1.02 0.00 0.00 57.50 55.83 1aij n TRP 80 Cb 0.68 -2.75 -0.08 0.00 -2.42 0.00 0.00 31.31 26.73 1aij n TRP 80 CO 0.00 0.00 0.00 1.21 -2.02 0.00 0.00 177.69 176.88 1aij s ASN 81 N -2.32 6.26 0.30 -0.99 3.84 -0.69 -4.98 114.94 116.36 1aij s ASN 81 Ca 0.00 -0.21 0.06 0.00 0.21 0.00 0.00 52.86 52.92 1aij s ASN 81 Cb 0.00 -2.24 0.80 0.00 -0.55 0.00 0.00 41.25 39.25 1aij s ASN 81 CO 0.00 -0.47 1.70 -0.65 -2.79 0.00 0.00 177.10 174.89 1aij h PRO 82 N 8.52 0.41 -0.21 0.43 0.11 -1.93 -0.95 132.00 138.38 1aij h PRO 82 Ca -0.28 -0.02 -0.14 0.00 0.11 0.00 0.00 66.00 65.67 1aij h PRO 82 Cb 1.13 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 1aij h PRO 82 CO 0.76 0.27 -0.45 0.00 -0.21 0.00 0.00 178.00 178.37 1aij h ALA 83 N 1.73 0.84 -0.16 -0.75 0.00 -1.95 -1.47 119.26 117.51 1aij h ALA 83 Ca 0.59 -0.46 -0.18 0.00 0.00 0.00 0.00 54.91 54.87 1aij h ALA 83 Cb 1.16 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 1aij h ALA 83 CO -0.53 0.65 -0.63 0.28 0.00 0.00 0.00 179.25 179.02 1aij h VAL 84 N 0.41 1.33 -0.55 0.00 2.07 -1.52 -1.66 116.25 116.33 1aij h VAL 84 Ca 0.03 -1.91 0.01 0.00 0.82 0.00 0.00 66.70 65.64 1aij h VAL 84 Cb 0.95 1.88 -0.03 0.00 -1.52 0.00 0.00 31.29 32.57 1aij h VAL 84 CO 0.08 0.59 0.36 0.15 0.02 0.00 0.00 177.57 178.78 1aij h PHE 85 N 0.42 0.69 -0.09 1.57 3.57 -0.94 -1.51 116.94 120.64 1aij h PHE 85 Ca -0.01 0.02 -0.21 0.00 3.53 0.00 0.00 57.97 61.30 1aij h PHE 85 Cb 1.20 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.71 1aij h PHE 85 CO 0.05 0.43 -0.80 -0.07 -2.23 0.00 0.00 178.31 175.69 1aij h LEU 86 N 0.74 0.68 -0.51 0.59 3.38 -1.17 -1.94 115.31 117.07 1aij h LEU 86 Ca 0.21 -0.46 -0.17 0.00 0.09 0.00 0.00 57.88 57.55 1aij h LEU 86 Cb -0.07 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 1aij h LEU 86 CO -0.05 1.24 -0.70 0.08 0.09 0.00 0.00 178.44 179.10 1aij h ARG 87 N 0.37 0.26 -0.43 1.13 0.11 -1.13 -3.30 114.38 111.39 1aij h ARG 87 Ca -0.05 -0.21 0.00 0.00 0.10 0.00 0.00 59.98 59.82 1aij h ARG 87 Cb 1.40 0.04 0.00 0.00 1.11 0.00 0.00 29.97 32.53 1aij h ARG 87 CO 0.15 0.85 0.00 -0.25 0.10 0.00 0.00 179.97 180.82 1aij n ASP 88 N -3.81 4.47 -0.28 0.08 8.00 -0.58 -4.72 116.55 119.71 1aij n ASP 88 Ca -0.03 -2.79 0.06 0.00 0.71 0.00 0.00 54.79 52.73 1aij n ASP 88 Cb 0.68 -0.56 0.20 0.00 -0.02 0.00 0.00 41.12 41.43 1aij n ASP 88 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1aij h LEU 89 N 2.84 0.47 -0.20 0.64 5.85 -1.43 0.72 115.31 124.20 1aij h LEU 89 Ca 0.00 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1aij h LEU 89 Cb 1.53 0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.58 1aij h LEU 89 CO 0.28 0.21 0.00 0.49 -0.34 0.00 0.00 178.44 179.08 1aij n PHE 90 N -4.89 0.68 0.05 1.25 3.72 -1.26 -3.23 117.46 113.77 1aij n PHE 90 Ca 0.15 0.22 0.07 0.00 -0.05 0.00 0.00 57.45 57.84 1aij n PHE 90 Cb 0.40 -0.86 -0.07 0.00 -0.94 0.00 0.00 39.48 38.02 1aij n PHE 90 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1aij n PHE 91 N -2.07 0.72 -1.00 1.38 3.01 0.20 -1.83 117.46 117.88 1aij n PHE 91 Ca 0.05 0.22 -0.31 0.00 1.01 0.00 0.00 57.45 58.42 1aij n PHE 91 Cb 0.34 -0.91 0.14 0.00 -0.01 0.00 0.00 39.48 39.04 1aij n PHE 91 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 1aij s PHE 92 N -3.22 2.11 -0.28 1.38 0.08 -0.95 -4.86 117.98 112.24 1aij s PHE 92 Ca -0.03 1.56 -0.17 0.00 0.12 0.00 0.00 56.93 58.40 1aij s PHE 92 Cb 0.10 -3.17 0.09 0.00 -0.57 0.00 0.00 43.02 39.46 1aij s PHE 92 CO 0.82 -2.41 0.74 0.45 -0.10 0.00 0.00 175.22 174.72 1aij s SER 93 N -3.08 -0.85 -0.37 1.36 0.15 -1.26 -4.39 113.70 105.26 1aij s SER 93 Ca 0.64 1.39 -0.17 0.00 0.70 0.00 0.00 55.95 58.52 1aij s SER 93 Cb -0.20 1.36 0.00 0.00 -1.71 0.00 0.00 66.02 65.47 1aij s SER 93 CO 0.57 -0.22 0.43 -0.22 1.20 0.00 0.00 173.24 175.00 1aij s LEU 94 N 1.39 4.56 0.01 3.45 0.20 -0.40 -4.95 118.68 122.94 1aij s LEU 94 Ca -0.08 -0.34 -0.02 0.00 0.69 0.00 0.00 54.13 54.38 1aij s LEU 94 Cb -0.05 -2.42 -0.04 0.00 -0.43 0.00 0.00 46.19 43.25 1aij s LEU 94 CO -0.16 -0.47 0.18 -1.61 -0.29 0.00 0.00 176.35 174.01 1aij s GLU 95 N 2.17 3.41 1.03 1.98 0.41 -1.26 -1.20 118.70 125.23 1aij s GLU 95 Ca 0.14 -0.37 -0.12 0.00 -0.41 0.00 0.00 54.97 54.21 1aij s GLU 95 Cb -0.16 -3.06 0.19 0.00 -1.78 0.00 0.00 34.13 29.31 1aij s GLU 95 CO 0.13 0.65 0.97 -2.30 -0.49 0.00 0.00 175.26 174.22 1aij n PRO 96 N 0.75 -1.23 -1.62 0.39 -0.02 -1.26 -4.00 135.00 128.00 1aij n PRO 96 Ca -0.09 -0.31 -0.41 0.00 -2.02 0.00 0.00 63.50 60.66 1aij n PRO 96 Cb 0.52 -2.22 0.01 0.00 -0.02 0.00 0.00 33.50 31.79 1aij n PRO 96 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1aij n PRO 97 N -4.16 1.44 -1.04 0.52 -0.02 -1.26 -4.37 135.00 126.12 1aij n PRO 97 Ca 0.08 0.52 -0.32 0.00 -2.02 0.00 0.00 63.50 61.76 1aij n PRO 97 Cb 0.53 -2.09 0.13 0.00 -0.02 0.00 0.00 33.50 32.05 1aij n PRO 97 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1aij s ALA 98 N -1.25 1.86 0.29 3.55 0.00 -1.26 -2.98 121.76 121.96 1aij s ALA 98 Ca 0.63 0.57 0.03 0.00 0.00 0.00 0.00 51.96 53.18 1aij s ALA 98 Cb -0.55 -3.40 0.64 0.00 0.00 0.00 0.00 23.12 19.80 1aij s ALA 98 CO 0.57 -2.25 1.78 -1.35 0.00 0.00 0.00 175.76 174.51 1aij h PRO 99 N -1.27 0.74 -0.30 0.00 0.11 -1.94 -1.63 132.00 127.71 1aij h PRO 99 Ca -0.44 -0.04 0.09 0.00 0.11 0.00 0.00 66.00 65.71 1aij h PRO 99 Cb 1.26 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1aij h PRO 99 CO 0.46 0.49 0.42 1.05 -0.21 0.00 0.00 178.00 180.21 1aij h GLU 100 N 0.76 0.00 0.00 1.05 4.11 -2.00 0.18 114.58 118.68 1aij h GLU 100 Ca 0.53 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.96 1aij h GLU 100 Cb 0.75 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1aij h GLU 100 CO -0.36 0.00 0.00 0.66 0.07 0.00 0.00 179.01 179.38 1aij n TYR 101 N -3.50 0.68 0.00 2.06 4.01 -0.61 -4.98 117.16 114.82 1aij n TYR 101 Ca 0.05 0.20 0.00 0.00 -0.16 0.00 0.00 57.90 57.99 1aij n TYR 101 Cb 0.56 -0.83 0.00 0.00 -0.31 0.00 0.00 39.34 38.76 1aij n TYR 101 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1aij n GLY 102 N 1.24 3.94 0.97 2.72 0.00 0.05 -1.18 105.19 112.93 1aij n GLY 102 Ca 0.06 0.04 0.08 0.00 0.00 0.00 0.00 46.02 46.20 1aij n GLY 102 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1aij n LEU 103 N 0.00 3.78 -4.87 0.99 4.77 -1.17 -1.12 117.00 119.38 1aij n LEU 103 Ca 0.00 -2.55 -0.31 0.00 -0.03 0.00 0.00 56.01 53.13 1aij n LEU 103 Cb 0.00 -0.44 0.03 0.00 -2.33 0.00 0.00 43.42 40.67 1aij n LEU 103 CO 0.00 0.72 0.73 -0.94 -1.33 0.00 0.00 177.39 176.57 1aij s SER 104 N -1.37 5.88 -0.31 -1.43 1.04 -0.33 -4.96 113.70 112.23 1aij s SER 104 Ca 0.38 1.31 0.11 0.00 0.48 0.00 0.00 55.95 58.22 1aij s SER 104 Cb 0.26 -2.25 0.76 0.00 0.10 0.00 0.00 66.02 64.89 1aij s SER 104 CO 0.15 -1.08 1.80 0.49 0.98 0.00 0.00 173.24 175.57 1aij n PHE 105 N -2.87 2.39 0.24 5.02 3.72 -1.26 -4.44 117.46 120.26 1aij n PHE 105 Ca 0.06 -1.12 0.07 0.00 -0.05 0.00 0.00 57.45 56.41 1aij n PHE 105 Cb 0.55 -0.66 0.23 0.00 -0.94 0.00 0.00 39.48 38.67 1aij n PHE 105 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1aij n ALA 106 N -0.03 2.69 -1.96 4.37 0.00 -1.26 -4.93 120.51 119.39 1aij n ALA 106 Ca 0.39 -0.98 -0.41 0.00 0.00 0.00 0.00 53.44 52.44 1aij n ALA 106 Cb 1.36 -0.99 -0.04 0.00 0.00 0.00 0.00 19.45 19.78 1aij n ALA 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1aij s ALA 107 N -1.56 3.42 0.40 0.00 0.00 -1.26 -4.98 121.76 117.77 1aij s ALA 107 Ca 0.34 0.92 -0.25 0.00 0.00 0.00 0.00 51.96 52.98 1aij s ALA 107 Cb 0.20 -3.38 -0.11 0.00 0.00 0.00 0.00 23.12 19.83 1aij s ALA 107 CO 0.19 -0.29 0.96 -2.30 0.00 0.00 0.00 175.76 174.33 1aij n PRO 108 N 2.02 1.27 -0.20 0.00 -0.02 -1.26 -3.88 135.00 132.93 1aij n PRO 108 Ca 0.02 0.45 0.01 0.00 -2.02 0.00 0.00 63.50 61.96 1aij n PRO 108 Cb 0.45 -1.95 0.10 0.00 -0.02 0.00 0.00 33.50 32.07 1aij n PRO 108 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1aij h LEU 109 N 1.54 -0.22 0.00 2.45 3.38 -1.94 0.77 115.31 121.29 1aij h LEU 109 Ca -0.43 0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1aij h LEU 109 Cb 1.34 0.24 0.00 0.00 0.09 0.00 0.00 40.66 42.34 1aij h LEU 109 CO 0.57 -0.09 0.00 0.29 0.09 0.00 0.00 178.44 179.30 1aij n LYS 110 N -5.25 0.03 -2.78 1.13 5.02 -1.26 -1.30 118.16 113.76 1aij n LYS 110 Ca 0.09 0.08 -0.23 0.00 -2.02 0.00 0.00 58.31 56.22 1aij n LYS 110 Cb 0.34 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.84 1aij n LYS 110 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1aij n GLU 111 N -1.48 2.65 0.00 1.97 1.02 0.16 -4.89 120.64 120.07 1aij n GLU 111 Ca 0.06 -4.28 0.00 0.00 -0.02 0.00 0.00 57.16 52.93 1aij n GLU 111 Cb 0.28 -2.01 0.00 0.00 -0.02 0.00 0.00 31.44 29.69 1aij n GLU 111 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1aij n GLY 112 N -0.22 3.39 0.33 0.62 0.00 -1.14 -4.22 105.19 103.95 1aij n GLY 112 Ca 0.30 -1.07 -0.03 0.00 0.00 0.00 0.00 46.02 45.21 1aij n GLY 112 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1aij h GLY 113 N 0.00 1.23 1.23 -0.02 0.00 -1.27 -1.03 103.07 103.21 1aij h GLY 113 Ca 0.00 -0.47 -0.06 0.00 0.00 0.00 0.00 47.33 46.80 1aij h GLY 113 CO 0.00 0.46 0.14 -2.00 0.00 0.00 0.00 176.54 175.13 1aij h LEU 114 N 1.18 0.90 -0.25 3.11 5.85 -1.43 -1.57 115.31 123.12 1aij h LEU 114 Ca 0.32 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 1aij h LEU 114 Cb -0.13 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.65 1aij h LEU 114 CO -0.07 0.88 0.13 -0.25 -0.34 0.00 0.00 178.44 178.79 1aij h TRP 115 N 0.92 0.34 -0.56 1.25 7.01 -1.60 -1.17 115.95 122.13 1aij h TRP 115 Ca 0.19 -0.01 0.08 0.00 2.11 0.00 0.00 58.89 61.26 1aij h TRP 115 Cb 0.34 -0.11 -0.06 0.00 -2.10 0.00 0.00 29.16 27.23 1aij h TRP 115 CO 0.02 0.30 0.22 -0.07 -2.79 0.00 0.00 178.44 176.13 1aij h LEU 116 N 0.28 0.25 -0.51 0.65 3.38 -0.62 0.07 115.31 118.80 1aij h LEU 116 Ca 0.09 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 1aij h LEU 116 Cb 0.08 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1aij h LEU 116 CO -0.01 0.16 0.23 0.40 0.09 0.00 0.00 178.44 179.31 1aij h ILE 117 N 0.42 1.20 -0.41 1.22 2.04 -1.04 -1.39 117.51 119.54 1aij h ILE 117 Ca 0.27 -0.58 0.02 0.00 1.00 0.00 0.00 64.86 65.58 1aij h ILE 117 Cb 0.30 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 1aij h ILE 117 CO -0.26 0.23 0.23 0.00 0.00 0.00 0.00 178.15 178.35 1aij h ALA 118 N 1.08 0.52 -0.80 1.87 0.00 -0.45 -1.50 119.26 119.97 1aij h ALA 118 Ca 0.17 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1aij h ALA 118 Cb 0.14 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1aij h ALA 118 CO -0.02 -0.10 0.50 0.77 0.00 0.00 0.00 179.25 180.40 1aij h SER 119 N 0.47 0.95 0.03 0.00 0.02 -0.69 -0.57 113.55 113.76 1aij h SER 119 Ca 0.17 -0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1aij h SER 119 Cb 0.02 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.33 1aij h SER 119 CO -0.08 0.72 -0.02 0.15 -1.14 0.00 0.00 176.83 176.45 1aij h PHE 120 N 1.10 -0.04 -0.75 3.45 3.57 -0.80 0.25 116.94 123.72 1aij h PHE 120 Ca 0.29 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.78 1aij h PHE 120 Cb -0.07 0.01 -0.04 0.00 2.79 0.00 0.00 35.95 38.65 1aij h PHE 120 CO 0.00 -0.02 0.44 0.74 -2.23 0.00 0.00 178.31 177.25 1aij h PHE 121 N -0.06 1.00 -0.15 0.41 0.04 -0.70 -1.43 116.94 116.06 1aij h PHE 121 Ca -0.00 -0.01 -0.12 0.00 2.80 0.00 0.00 57.97 60.64 1aij h PHE 121 Cb 0.04 -0.33 -0.01 0.00 2.20 0.00 0.00 35.95 37.86 1aij h PHE 121 CO -0.07 0.68 -0.41 1.98 -0.60 0.00 0.00 178.31 179.89 1aij h MET 122 N 1.03 0.35 0.38 1.51 4.05 -0.98 -0.92 114.93 120.35 1aij h MET 122 Ca 0.27 -0.17 -0.02 0.00 -0.28 0.00 0.00 59.70 59.50 1aij h MET 122 Cb -0.02 -0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.79 1aij h MET 122 CO -0.05 0.70 -0.18 0.35 0.23 0.00 0.00 176.91 177.96 1aij h PHE 123 N 0.29 -0.47 -0.40 1.39 3.57 -0.35 -1.07 116.94 119.91 1aij h PHE 123 Ca 0.03 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.55 1aij h PHE 123 Cb 0.85 0.15 -0.04 0.00 2.79 0.00 0.00 35.95 39.70 1aij h PHE 123 CO 0.02 -0.20 0.18 0.28 -2.23 0.00 0.00 178.31 176.37 1aij h VAL 124 N -0.67 0.95 -0.42 1.41 2.07 -1.25 -1.57 116.25 116.76 1aij h VAL 124 Ca -0.05 -0.13 0.02 0.00 0.82 0.00 0.00 66.70 67.36 1aij h VAL 124 Cb 0.48 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 1aij h VAL 124 CO 0.08 0.07 0.24 0.00 0.02 0.00 0.00 177.57 177.98 1aij h ALA 125 N 1.23 0.53 -0.23 1.67 0.00 -1.02 -0.66 119.26 120.78 1aij h ALA 125 Ca 0.18 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 1aij h ALA 125 Cb 0.11 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1aij h ALA 125 CO -0.14 -0.10 -0.15 0.28 0.00 0.00 0.00 179.25 179.14 1aij h VAL 126 N 0.48 1.31 -0.17 0.00 2.07 -1.00 -1.43 116.25 117.51 1aij h VAL 126 Ca 0.17 -1.26 -0.10 0.00 0.82 0.00 0.00 66.70 66.32 1aij h VAL 126 Cb 0.03 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 1aij h VAL 126 CO -0.09 0.39 -0.34 -0.50 0.02 0.00 0.00 177.57 177.05 1aij h TRP 127 N 0.22 0.40 -0.46 1.57 4.06 -1.14 -0.15 115.95 120.45 1aij h TRP 127 Ca 0.05 -0.10 -0.02 0.00 2.06 0.00 0.00 58.89 60.88 1aij h TRP 127 Cb 0.67 -0.09 -0.02 0.00 -1.00 0.00 0.00 29.16 28.72 1aij h TRP 127 CO 0.07 0.65 0.22 0.77 -3.56 0.00 0.00 178.44 176.60 1aij h SER 128 N 0.30 0.60 -0.23 -3.49 0.02 -1.05 -0.88 113.55 108.82 1aij h SER 128 Ca 0.04 -0.12 -0.09 0.00 -0.84 0.00 0.00 61.79 60.77 1aij h SER 128 Cb 0.75 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.12 1aij h SER 128 CO 0.06 0.55 -0.14 -0.25 -1.14 0.00 0.00 176.83 175.91 1aij h TRP 129 N 0.60 0.71 0.11 3.45 2.91 -0.79 -1.19 115.95 121.75 1aij h TRP 129 Ca 0.16 -0.13 -0.01 0.00 1.13 0.00 0.00 58.89 60.05 1aij h TRP 129 Cb 0.11 -0.18 0.00 0.00 -0.51 0.00 0.00 29.16 28.58 1aij h TRP 129 CO -0.01 0.75 -0.05 2.35 -1.03 0.00 0.00 178.44 180.45 1aij h TRP 130 N 0.59 -0.13 -0.71 2.65 7.01 -0.67 -1.05 115.95 123.63 1aij h TRP 130 Ca 0.10 -0.00 0.12 0.00 2.11 0.00 0.00 58.89 61.22 1aij h TRP 130 Cb 0.58 0.04 -0.08 0.00 -2.10 0.00 0.00 29.16 27.59 1aij h TRP 130 CO 0.02 -0.07 0.29 0.78 -2.79 0.00 0.00 178.44 176.68 1aij h GLY 131 N -0.16 1.06 1.01 2.65 0.00 -0.83 -1.70 103.07 105.11 1aij h GLY 131 Ca -0.01 -0.16 0.01 0.00 0.00 0.00 0.00 47.33 47.17 1aij h GLY 131 CO 0.02 -0.05 0.60 -0.09 0.00 0.00 0.00 176.54 177.03 1aij h ARG 132 N 0.47 1.20 -0.02 4.80 2.43 -0.85 -0.32 114.38 122.09 1aij h ARG 132 Ca 0.38 -0.07 -0.06 0.00 -0.81 0.00 0.00 59.98 59.41 1aij h ARG 132 Cb 0.51 -0.27 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 1aij h ARG 132 CO -0.35 0.80 -0.28 1.79 -1.51 0.00 0.00 179.97 180.41 1aij h THR 133 N 1.24 1.21 0.32 0.20 1.35 -0.27 -0.84 112.91 116.11 1aij h THR 133 Ca 0.33 -0.99 -0.02 0.00 -0.55 0.00 0.00 66.41 65.19 1aij h THR 133 Cb -0.14 1.51 0.00 0.00 -1.73 0.00 0.00 68.15 67.79 1aij h THR 133 CO -0.07 0.28 -0.15 0.22 -0.25 0.00 0.00 175.52 175.55 1aij h TYR 134 N 0.03 -0.40 -0.26 4.73 3.20 -0.99 -3.26 116.97 120.02 1aij h TYR 134 Ca 0.00 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.80 1aij h TYR 134 Cb 0.51 0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.89 1aij h TYR 134 CO 0.00 -0.06 -0.12 -0.07 -1.64 0.00 0.00 178.16 176.26 1aij h LEU 135 N -0.93 0.42 -1.08 2.82 3.38 -0.89 -1.39 115.31 117.63 1aij h LEU 135 Ca -0.04 -0.10 -0.09 0.00 0.09 0.00 0.00 57.88 57.74 1aij h LEU 135 Cb 0.52 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1aij h LEU 135 CO 0.07 0.57 -0.28 0.03 0.09 0.00 0.00 178.44 178.92 1aij h ARG 136 N 0.40 0.30 -0.21 1.13 2.47 -1.30 -1.14 114.38 116.04 1aij h ARG 136 Ca 0.08 -0.11 -0.10 0.00 -1.26 0.00 0.00 59.98 58.59 1aij h ARG 136 Cb 0.46 -0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 28.76 1aij h ARG 136 CO 0.03 0.56 -0.25 0.00 0.56 0.00 0.00 179.97 180.87 1aij h ALA 137 N 1.44 0.31 -0.25 0.04 0.00 -1.47 -3.09 119.26 116.24 1aij h ALA 137 Ca 0.04 -0.38 0.05 0.00 0.00 0.00 0.00 54.91 54.61 1aij h ALA 137 Cb 0.64 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 1aij h ALA 137 CO 0.05 0.29 -0.02 0.37 0.00 0.00 0.00 179.25 179.94 1aij h GLN 138 N 0.22 0.05 0.00 0.00 4.15 -1.03 -0.45 115.11 118.05 1aij h GLN 138 Ca 0.03 -0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.44 1aij h GLN 138 Cb 0.82 -0.01 -0.00 0.00 0.21 0.00 0.00 27.48 28.49 1aij h GLN 138 CO 0.06 0.03 -0.01 0.00 -1.93 0.00 0.00 178.83 176.98 1aij h ALA 139 N 1.23 1.22 -0.26 3.38 0.00 -1.24 -0.70 119.26 122.89 1aij h ALA 139 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1aij h ALA 139 Cb 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1aij h ALA 139 CO -0.22 0.01 0.00 1.28 0.00 0.00 0.00 179.25 180.32 1aij n LEU 140 N -3.42 3.15 -0.36 0.00 4.77 -0.58 -0.66 117.00 119.91 1aij n LEU 140 Ca -0.03 -1.36 -0.05 0.00 -0.03 0.00 0.00 56.01 54.55 1aij n LEU 140 Cb 0.10 -0.16 -0.02 0.00 -2.33 0.00 0.00 43.42 41.01 1aij n LEU 140 CO 0.24 0.64 -0.04 0.61 -1.33 0.00 0.00 177.39 177.51 1aij n GLY 141 N 1.30 0.72 3.89 -0.72 0.00 -0.27 -4.95 105.19 105.17 1aij n GLY 141 Ca 0.16 -0.42 -0.29 0.00 0.00 0.00 0.00 46.02 45.47 1aij n GLY 141 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1aij s MET 142 N -1.90 3.61 0.78 1.61 1.00 -0.29 -4.99 119.30 119.12 1aij s MET 142 Ca 0.00 0.37 -0.12 0.00 0.00 0.00 0.00 55.69 55.94 1aij s MET 142 Cb 0.00 -2.32 0.07 0.00 0.00 0.00 0.00 34.83 32.57 1aij s MET 142 CO 0.00 -0.23 1.12 0.20 0.00 0.00 0.00 175.02 176.11 1aij s GLY 143 N -3.90 1.82 -0.25 -0.03 0.00 -1.26 -4.40 107.32 99.31 1aij s GLY 143 Ca 0.50 0.46 -0.00 0.00 0.00 0.00 0.00 44.72 45.67 1aij s GLY 143 CO 0.43 0.83 1.81 0.28 0.00 0.00 0.00 173.10 176.45 1aij n LYS 144 N -3.44 1.64 -0.24 2.90 4.76 -1.26 -4.58 118.16 117.93 1aij n LYS 144 Ca 0.10 -1.32 -0.07 0.00 -2.87 0.00 0.00 58.31 54.15 1aij n LYS 144 Cb 0.52 -1.52 0.06 0.00 -1.84 0.00 0.00 35.03 32.25 1aij n LYS 144 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1aij h HIS 145 N 1.09 1.17 -0.40 2.13 3.86 -1.96 -2.59 115.15 118.45 1aij h HIS 145 Ca 0.26 -0.14 -0.04 0.00 -1.16 0.00 0.00 60.37 59.28 1aij h HIS 145 Cb 1.20 -0.33 -0.02 0.00 1.06 0.00 0.00 27.41 29.32 1aij h HIS 145 CO 0.71 0.96 0.08 1.15 0.86 0.00 0.00 177.93 181.68 1aij h THR 146 N 1.06 1.24 -0.73 2.45 2.02 -1.91 -1.79 112.91 115.24 1aij h THR 146 Ca 0.22 -0.84 -0.03 0.00 0.77 0.00 0.00 66.41 66.53 1aij h THR 146 Cb 0.38 1.02 -0.03 0.00 -1.74 0.00 0.00 68.15 67.78 1aij h THR 146 CO 0.00 0.29 0.35 0.00 0.37 0.00 0.00 175.52 176.53 1aij h ALA 147 N 0.93 1.23 -0.33 6.16 0.00 -1.73 0.25 119.26 125.77 1aij h ALA 147 Ca 0.12 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 1aij h ALA 147 Cb 0.35 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1aij h ALA 147 CO 0.01 0.59 -0.27 -1.49 0.00 0.00 0.00 179.25 178.09 1aij h TRP 148 N 1.04 0.90 -0.73 0.00 -0.00 -1.34 -1.43 115.95 114.40 1aij h TRP 148 Ca 0.25 -0.25 -0.06 0.00 -0.00 0.00 0.00 58.89 58.83 1aij h TRP 148 Cb 0.11 -0.19 -0.03 0.00 -0.00 0.00 0.00 29.16 29.05 1aij h TRP 148 CO 0.01 1.01 0.23 0.00 -0.00 0.00 0.00 178.44 179.70 1aij h ALA 149 N 0.74 0.95 -0.57 1.49 0.00 -0.89 -2.22 119.26 118.77 1aij h ALA 149 Ca 0.06 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1aij h ALA 149 Cb 0.83 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1aij h ALA 149 CO 0.07 0.63 0.25 0.35 0.00 0.00 0.00 179.25 180.55 1aij h PHE 150 N 1.07 0.80 -0.39 0.00 3.57 -0.86 -1.82 116.94 119.30 1aij h PHE 150 Ca 0.23 -0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.78 1aij h PHE 150 Cb 0.30 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 1aij h PHE 150 CO 0.02 0.60 0.27 -0.07 -2.23 0.00 0.00 178.31 176.90 1aij h LEU 151 N 0.80 0.19 -0.49 0.59 3.38 -0.61 -0.99 115.31 118.18 1aij h LEU 151 Ca 0.20 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.04 1aij h LEU 151 Cb 0.11 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1aij h LEU 151 CO -0.02 0.12 -0.20 -1.28 0.09 0.00 0.00 178.44 177.15 1aij h SER 152 N 0.22 1.03 -0.47 -0.43 0.87 -1.28 -0.38 113.55 113.10 1aij h SER 152 Ca 0.18 -0.39 -0.11 0.00 -1.23 0.00 0.00 61.79 60.23 1aij h SER 152 Cb 0.42 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.09 1aij h SER 152 CO -0.03 1.19 -0.15 0.00 -0.53 0.00 0.00 176.83 177.31 1aij h ALA 153 N 0.87 0.66 -0.49 6.23 0.00 -1.39 -2.74 119.26 122.41 1aij h ALA 153 Ca 0.11 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 1aij h ALA 153 Cb 0.78 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1aij h ALA 153 CO 0.07 0.59 0.11 0.82 0.00 0.00 0.00 179.25 180.84 1aij h ILE 154 N 0.79 1.21 -0.21 0.00 2.04 -1.06 -2.80 117.51 117.48 1aij h ILE 154 Ca 0.12 -0.78 0.06 0.00 1.00 0.00 0.00 64.86 65.25 1aij h ILE 154 Cb 0.71 0.72 -0.07 0.00 -0.74 0.00 0.00 36.82 37.45 1aij h ILE 154 CO 0.05 0.29 -0.24 -0.25 0.00 0.00 0.00 178.15 178.00 1aij h TRP 155 N 0.73 -0.65 -0.24 1.37 -0.00 -0.75 0.19 115.95 116.60 1aij h TRP 155 Ca 0.16 0.04 0.01 0.00 -0.00 0.00 0.00 58.89 59.10 1aij h TRP 155 Cb 0.29 0.32 -0.02 0.00 -0.00 0.00 0.00 29.16 29.75 1aij h TRP 155 CO 0.01 -0.32 0.13 1.25 -0.00 0.00 0.00 178.44 179.52 1aij h LEU 156 N -0.26 0.22 -0.52 0.65 6.46 -1.47 -0.58 115.31 119.80 1aij h LEU 156 Ca 0.13 0.00 0.02 0.00 -0.12 0.00 0.00 57.88 57.91 1aij h LEU 156 Cb 0.46 -0.04 -0.03 0.00 -0.73 0.00 0.00 40.66 40.31 1aij h LEU 156 CO -0.37 0.16 0.32 -0.25 -0.62 0.00 0.00 178.44 177.69 1aij h TRP 157 N 0.28 0.61 -0.26 1.25 7.01 -1.23 -1.26 115.95 122.34 1aij h TRP 157 Ca 0.09 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.09 1aij h TRP 157 Cb -0.00 -0.20 -0.01 0.00 -2.10 0.00 0.00 29.16 26.85 1aij h TRP 157 CO -0.08 0.36 0.09 0.52 -2.79 0.00 0.00 178.44 176.54 1aij h MET 158 N 0.65 0.39 0.03 2.65 2.86 -0.27 -1.53 114.93 119.72 1aij h MET 158 Ca 0.20 -0.08 0.02 0.00 -2.06 0.00 0.00 59.70 57.79 1aij h MET 158 Cb -0.01 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.56 1aij h MET 158 CO -0.08 0.44 -0.15 0.28 1.06 0.00 0.00 176.91 178.47 1aij h VAL 159 N 0.26 0.65 -0.64 -2.22 2.07 -0.96 0.86 116.25 116.28 1aij h VAL 159 Ca 0.08 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.60 1aij h VAL 159 Cb 0.20 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 1aij h VAL 159 CO -0.01 0.00 0.40 -0.07 0.02 0.00 0.00 177.57 177.91 1aij h LEU 160 N -0.26 0.76 0.00 2.57 3.38 -1.08 -0.57 115.31 120.11 1aij h LEU 160 Ca 0.04 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1aij h LEU 160 Cb 0.31 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1aij h LEU 160 CO -0.12 0.58 -1.17 0.61 0.09 0.00 0.00 178.44 178.43 1aij n GLY 161 N -1.19 -0.65 1.73 0.83 0.00 -0.59 -4.14 105.19 101.18 1aij n GLY 161 Ca 0.05 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1aij n GLY 161 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1aij n PHE 162 N -1.66 -1.85 0.03 1.61 3.72 -0.01 -4.82 117.46 114.48 1aij n PHE 162 Ca 0.01 0.33 -0.13 0.00 -0.05 0.00 0.00 57.45 57.61 1aij n PHE 162 Cb 0.33 0.43 -0.08 0.00 -0.94 0.00 0.00 39.48 39.21 1aij n PHE 162 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 1aij h ILE 163 N 0.00 1.13 -0.29 4.37 2.04 -0.98 -1.27 117.51 122.51 1aij h ILE 163 Ca 0.00 -0.52 -0.09 0.00 1.00 0.00 0.00 64.86 65.25 1aij h ILE 163 Cb 0.01 1.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 1aij h ILE 163 CO 0.00 0.13 -0.16 -0.09 0.00 0.00 0.00 178.15 178.04 1aij h ARG 164 N -0.28 0.62 -0.48 2.37 2.43 -1.31 -1.45 114.38 116.28 1aij h ARG 164 Ca -0.01 -0.28 0.09 0.00 -0.81 0.00 0.00 59.98 58.98 1aij h ARG 164 Cb 0.26 -0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 29.72 1aij h ARG 164 CO 0.01 0.86 0.03 -1.35 -1.51 0.00 0.00 179.97 178.01 1aij h PRO 165 N 0.37 0.14 -0.24 0.20 0.11 -1.74 0.29 132.00 131.12 1aij h PRO 165 Ca 0.06 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.17 1aij h PRO 165 Cb 0.68 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.75 1aij h PRO 165 CO 0.05 0.09 0.16 0.82 -0.21 0.00 0.00 178.00 178.91 1aij h ILE 166 N 0.15 1.07 -0.46 4.15 2.04 -1.10 -0.54 117.51 122.82 1aij h ILE 166 Ca 0.24 -0.14 -0.03 0.00 1.00 0.00 0.00 64.86 65.93 1aij h ILE 166 Cb 0.35 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 1aij h ILE 166 CO -0.37 0.07 0.16 -0.07 0.00 0.00 0.00 178.15 177.94 1aij h LEU 167 N 0.32 0.60 -0.15 1.44 3.38 -0.89 -1.39 115.31 118.63 1aij h LEU 167 Ca 0.09 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1aij h LEU 167 Cb -0.02 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.57 1aij h LEU 167 CO -0.02 0.56 0.00 0.23 0.09 0.00 0.00 178.44 179.30 1aij n MET 168 N -4.34 1.10 -0.99 1.13 2.81 0.06 -4.92 117.12 111.96 1aij n MET 168 Ca 0.03 -0.15 0.00 0.00 -1.81 0.00 0.00 57.70 55.78 1aij n MET 168 Cb 0.17 -1.46 0.00 0.00 -0.71 0.00 0.00 33.22 31.21 1aij n MET 168 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1aij n GLY 169 N 0.99 0.36 3.24 3.03 0.00 -0.30 -5.00 105.19 107.51 1aij n GLY 169 Ca 0.22 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.11 1aij n GLY 169 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1aij s SER 170 N -2.03 -0.37 0.46 1.61 0.15 -0.67 -3.04 113.70 109.81 1aij s SER 170 Ca 0.00 0.71 0.26 0.00 0.70 0.00 0.00 55.95 57.62 1aij s SER 170 Cb 0.00 0.72 0.85 0.00 -1.71 0.00 0.00 66.02 65.88 1aij s SER 170 CO 0.00 -0.12 1.79 -0.50 1.20 0.00 0.00 173.24 175.61 1aij h TRP 171 N 5.59 0.00 0.00 3.44 -0.00 -1.38 -3.09 115.95 120.51 1aij h TRP 171 Ca -0.26 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.63 1aij h TRP 171 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.35 1aij h TRP 171 CO 0.40 0.13 0.00 0.66 -0.00 0.00 0.00 178.44 179.63 1aij h SER 172 N 0.00 0.00 0.97 -3.49 4.64 -1.78 -1.10 113.55 112.79 1aij h SER 172 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1aij h SER 172 Cb 0.79 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 1aij h SER 172 CO 0.02 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.36 1aij n GLU 173 N -3.01 0.22 -2.10 4.77 -0.58 -1.17 -4.86 120.64 113.92 1aij n GLU 173 Ca -0.03 0.36 -0.28 0.00 -0.42 0.00 0.00 57.16 56.79 1aij n GLU 173 Cb 0.07 -1.86 0.15 0.00 -0.57 0.00 0.00 31.44 29.24 1aij n GLU 173 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1aij s ALA 174 N -3.25 2.67 0.09 0.62 0.00 -0.42 -4.79 121.76 116.67 1aij s ALA 174 Ca 0.06 -1.25 -0.17 0.00 0.00 0.00 0.00 51.96 50.60 1aij s ALA 174 Cb 0.10 -2.61 -0.07 0.00 0.00 0.00 0.00 23.12 20.55 1aij s ALA 174 CO 0.46 -2.07 0.54 0.08 0.00 0.00 0.00 175.76 174.76 1aij s VAL 175 N -3.65 4.83 0.72 0.00 1.01 -1.26 -4.89 120.40 117.15 1aij s VAL 175 Ca 0.70 1.01 -0.11 0.00 0.00 0.00 0.00 61.98 63.59 1aij s VAL 175 Cb -0.05 -3.81 0.02 0.00 0.00 0.00 0.00 36.38 32.54 1aij s VAL 175 CO 0.50 0.44 1.07 -2.16 0.00 0.00 0.00 175.10 174.95 1aij s PRO 176 N -1.42 2.75 -0.52 2.72 0.04 -1.26 -4.81 135.00 132.50 1aij s PRO 176 Ca 0.31 1.03 -0.16 0.00 0.04 0.00 0.00 61.00 62.22 1aij s PRO 176 Cb -0.17 -1.96 0.10 0.00 0.04 0.00 0.00 34.50 32.50 1aij s PRO 176 CO 0.18 -1.25 0.49 0.71 0.04 0.00 0.00 177.00 177.17 1aij s TYR 177 N -2.98 3.21 -0.20 0.56 2.02 -0.34 -4.53 117.35 115.09 1aij s TYR 177 Ca 0.59 -1.06 -0.31 0.00 -0.37 0.00 0.00 57.07 55.92 1aij s TYR 177 Cb -0.15 -3.56 0.15 0.00 -0.40 0.00 0.00 41.96 38.00 1aij s TYR 177 CO 0.55 -0.96 1.16 0.20 -1.57 0.00 0.00 175.55 174.92 1aij s GLY 178 N 3.15 -0.17 -0.02 0.71 0.00 -1.26 -1.28 107.32 108.45 1aij s GLY 178 Ca 0.05 2.13 -0.10 0.00 0.00 0.00 0.00 44.72 46.80 1aij s GLY 178 CO 0.05 0.90 0.59 -2.22 0.00 0.00 0.00 173.10 172.43 1aij h ILE 179 N 2.23 0.00 -0.35 0.90 1.08 -1.77 -2.63 117.51 116.98 1aij h ILE 179 Ca -0.13 -0.33 -0.13 0.00 -0.39 0.00 0.00 64.86 63.88 1aij h ILE 179 Cb 1.18 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 34.91 1aij h ILE 179 CO 0.26 0.00 -0.31 -0.26 -0.69 0.00 0.00 178.15 177.15 1aij h PHE 180 N -0.70 0.88 -0.27 1.37 0.04 -1.68 -3.11 116.94 113.48 1aij h PHE 180 Ca -0.04 -0.23 -0.10 0.00 2.80 0.00 0.00 57.97 60.41 1aij h PHE 180 Cb 0.28 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 38.22 1aij h PHE 180 CO 0.04 0.97 -0.24 0.66 -0.60 0.00 0.00 178.31 179.14 1aij h SER 181 N 0.64 0.52 0.80 2.17 4.64 -1.79 0.52 113.55 121.05 1aij h SER 181 Ca 0.07 -0.18 -0.06 0.00 -0.47 0.00 0.00 61.79 61.15 1aij h SER 181 Cb 0.84 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.78 1aij h SER 181 CO 0.07 0.76 -0.29 1.12 -0.87 0.00 0.00 176.83 177.62 1aij h HIS 182 N 0.46 0.00 -0.26 4.77 2.07 -1.45 -0.04 115.15 120.70 1aij h HIS 182 Ca 0.07 0.00 -0.18 0.00 -2.85 0.00 0.00 60.37 57.41 1aij h HIS 182 Cb 0.67 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.65 1aij h HIS 182 CO 0.02 0.29 -0.55 -0.07 -3.07 0.00 0.00 177.93 174.56 1aij h LEU 183 N 0.00 0.89 -0.40 6.12 3.38 -1.09 -2.07 115.31 122.15 1aij h LEU 183 Ca -0.00 -0.48 -0.05 0.00 0.09 0.00 0.00 57.88 57.44 1aij h LEU 183 Cb 0.77 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 1aij h LEU 183 CO 0.04 1.26 0.07 0.44 0.09 0.00 0.00 178.44 180.34 1aij h ASP 184 N 0.61 0.62 -0.54 -0.43 3.32 -0.40 -2.41 116.42 117.20 1aij h ASP 184 Ca 0.01 -0.25 0.01 0.00 0.02 0.00 0.00 57.03 56.82 1aij h ASP 184 Cb 1.14 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 40.50 1aij h ASP 184 CO 0.12 0.72 0.35 -0.25 -1.72 0.00 0.00 179.24 178.45 1aij h TRP 185 N 0.50 0.66 -0.43 4.55 7.01 -0.99 0.11 115.95 127.37 1aij h TRP 185 Ca 0.12 0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.15 1aij h TRP 185 Cb 0.36 -0.22 -0.03 0.00 -2.10 0.00 0.00 29.16 27.17 1aij h TRP 185 CO 0.02 0.40 0.26 1.15 -2.79 0.00 0.00 178.44 177.49 1aij h THR 186 N 0.71 1.06 -0.10 2.65 2.02 -1.20 0.13 112.91 118.18 1aij h THR 186 Ca 0.20 -0.18 -0.01 0.00 0.77 0.00 0.00 66.41 67.20 1aij h THR 186 Cb -0.06 0.49 -0.00 0.00 -1.74 0.00 0.00 68.15 66.84 1aij h THR 186 CO -0.05 0.10 0.04 -1.13 0.37 0.00 0.00 175.52 174.84 1aij h ASN 187 N 0.53 0.13 -0.63 4.18 -1.24 -1.15 -2.79 115.58 114.61 1aij h ASN 187 Ca 0.17 -0.15 -0.00 0.00 0.71 0.00 0.00 56.30 57.02 1aij h ASN 187 Cb -0.01 -0.03 -0.03 0.00 0.73 0.00 0.00 38.32 38.97 1aij h ASN 187 CO -0.07 0.25 0.40 -1.13 -1.29 0.00 0.00 177.43 175.59 1aij h ASN 188 N 0.01 0.75 -0.70 1.15 -1.24 -0.72 -1.80 115.58 113.03 1aij h ASN 188 Ca 0.03 -0.03 -0.03 0.00 0.71 0.00 0.00 56.30 56.98 1aij h ASN 188 Cb 0.16 -0.19 -0.03 0.00 0.73 0.00 0.00 38.32 38.98 1aij h ASN 188 CO -0.00 0.57 0.32 0.15 -1.29 0.00 0.00 177.43 177.18 1aij h PHE 189 N 0.88 1.03 -0.08 0.67 3.04 -0.48 -0.67 116.94 121.33 1aij h PHE 189 Ca 0.23 -0.05 -0.02 0.00 3.98 0.00 0.00 57.97 62.11 1aij h PHE 189 Cb -0.05 -0.32 -0.00 0.00 2.56 0.00 0.00 35.95 38.13 1aij h PHE 189 CO 0.00 0.77 -0.02 1.03 -2.02 0.00 0.00 178.31 178.07 1aij h SER 190 N 1.02 0.16 -0.15 0.41 0.87 -1.20 -2.19 113.55 112.47 1aij h SER 190 Ca 0.25 -0.37 0.05 0.00 -1.23 0.00 0.00 61.79 60.48 1aij h SER 190 Cb 0.14 -0.04 -0.07 0.00 -0.44 0.00 0.00 62.40 61.99 1aij h SER 190 CO -0.03 0.49 -0.35 -0.07 -0.53 0.00 0.00 176.83 176.35 1aij h LEU 191 N -0.18 -1.08 -2.19 2.23 4.07 -1.08 -0.78 115.31 116.28 1aij h LEU 191 Ca 0.02 0.16 0.00 0.00 0.08 0.00 0.00 57.88 58.14 1aij h LEU 191 Cb 0.43 0.46 -0.00 0.00 1.08 0.00 0.00 40.66 42.62 1aij h LEU 191 CO 0.01 -0.37 0.00 0.58 -1.08 0.00 0.00 178.44 177.58 1aij h VAL 192 N -0.41 0.80 -0.43 1.22 2.07 -1.15 -2.75 116.25 115.60 1aij h VAL 192 Ca 0.10 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.58 1aij h VAL 192 Cb 0.57 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 1aij h VAL 192 CO -0.38 0.00 0.03 1.41 0.02 0.00 0.00 177.57 178.66 1aij n HIS 193 N -4.25 1.53 -2.79 1.57 8.25 -0.45 -4.82 115.22 114.27 1aij n HIS 193 Ca -0.03 -0.91 -0.07 0.00 -0.26 0.00 0.00 57.72 56.44 1aij n HIS 193 Cb 0.09 -0.44 0.03 0.00 1.12 0.00 0.00 29.99 30.79 1aij n HIS 193 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1aij n GLY 194 N -0.13 0.41 1.94 -1.41 0.00 -0.92 -0.71 105.19 104.37 1aij n GLY 194 Ca 0.27 -0.36 -0.01 0.00 0.00 0.00 0.00 46.02 45.92 1aij n GLY 194 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1aij n ASN 195 N -0.30 -4.32 0.13 1.61 4.05 -0.43 -2.56 115.26 113.44 1aij n ASN 195 Ca -0.01 0.99 0.10 0.00 0.45 0.00 0.00 54.58 56.10 1aij n ASN 195 Cb 0.53 -3.53 0.50 0.00 1.23 0.00 0.00 39.78 38.51 1aij n ASN 195 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 177.26 174.10 1aij n LEU 196 N 1.06 0.50 0.27 1.20 7.94 -1.26 -1.80 117.00 124.92 1aij n LEU 196 Ca -0.10 0.71 0.19 0.00 -1.11 0.00 0.00 56.01 55.69 1aij n LEU 196 Cb 0.16 -0.75 0.95 0.00 0.53 0.00 0.00 43.42 44.32 1aij n LEU 196 CO 0.10 -0.82 1.05 -0.26 -1.11 0.00 0.00 177.39 176.35 1aij h PHE 197 N 0.00 0.00 -0.01 1.96 0.04 -1.96 -0.76 116.94 116.21 1aij h PHE 197 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1aij h PHE 197 Cb 0.07 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.22 1aij h PHE 197 CO 0.00 0.00 -0.31 0.66 -0.60 0.00 0.00 178.31 178.06 1aij n TYR 198 N -2.82 0.00 -2.44 -0.55 4.01 -0.74 -4.78 117.16 109.83 1aij n TYR 198 Ca -0.02 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.29 1aij n TYR 198 Cb 0.10 -0.12 -0.02 0.00 -0.31 0.00 0.00 39.34 38.99 1aij n TYR 198 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1aij s ASN 199 N -2.54 6.75 0.39 7.72 3.84 -0.29 -4.80 114.94 126.01 1aij s ASN 199 Ca 0.22 1.30 0.08 0.00 0.21 0.00 0.00 52.86 54.68 1aij s ASN 199 Cb 0.19 -2.54 0.82 0.00 -0.55 0.00 0.00 41.25 39.17 1aij s ASN 199 CO 0.54 -0.99 1.99 1.55 -2.79 0.00 0.00 177.10 177.40 1aij h PRO 200 N 8.96 0.63 0.00 0.43 0.13 -1.88 -1.59 132.00 138.69 1aij h PRO 200 Ca -0.26 -0.04 -0.11 0.00 -0.87 0.00 0.00 66.00 64.73 1aij h PRO 200 Cb 1.10 -0.14 -0.02 0.00 0.13 0.00 0.00 31.00 32.07 1aij h PRO 200 CO 1.02 0.41 -0.51 0.74 -0.23 0.00 0.00 178.00 179.43 1aij h PHE 201 N 0.64 0.00 -0.20 1.56 0.04 -1.91 -1.49 116.94 115.59 1aij h PHE 201 Ca 0.27 0.00 -0.19 0.00 2.80 0.00 0.00 57.97 60.84 1aij h PHE 201 Cb 0.23 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.38 1aij h PHE 201 CO -0.00 0.51 -0.64 1.25 -0.60 0.00 0.00 178.31 178.83 1aij h HIS 202 N 0.00 0.94 -0.62 -0.55 2.76 -1.59 -0.77 115.15 115.32 1aij h HIS 202 Ca -0.01 -0.37 -0.01 0.00 -2.20 0.00 0.00 60.37 57.78 1aij h HIS 202 Cb 1.11 -0.16 -0.03 0.00 1.55 0.00 0.00 27.41 29.88 1aij h HIS 202 CO 0.00 1.17 0.34 0.78 -1.30 0.00 0.00 177.93 178.92 1aij h GLY 203 N 0.80 0.93 0.82 5.26 0.00 -1.24 -0.90 103.07 108.75 1aij h GLY 203 Ca -0.01 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 46.89 1aij h GLY 203 CO 0.13 0.40 -0.09 1.41 0.00 0.00 0.00 176.54 178.40 1aij h LEU 204 N 0.84 -0.20 -0.56 3.11 3.38 -1.15 -0.82 115.31 119.91 1aij h LEU 204 Ca 0.22 -0.13 0.11 0.00 0.09 0.00 0.00 57.88 58.17 1aij h LEU 204 Cb 0.04 0.05 -0.11 0.00 0.09 0.00 0.00 40.66 40.73 1aij h LEU 204 CO -0.04 0.02 -0.18 -1.28 0.09 0.00 0.00 178.44 177.05 1aij h SER 205 N -0.42 -0.66 -0.68 -0.43 0.87 -0.96 0.25 113.55 111.53 1aij h SER 205 Ca -0.02 0.18 0.05 0.00 -1.23 0.00 0.00 61.79 60.77 1aij h SER 205 Cb 0.32 0.40 -0.05 0.00 -0.44 0.00 0.00 62.40 62.63 1aij h SER 205 CO 0.04 -0.22 0.39 0.40 -0.53 0.00 0.00 176.83 176.91 1aij h ILE 206 N -0.05 1.00 -0.73 2.23 2.04 -1.08 0.25 117.51 121.18 1aij h ILE 206 Ca 0.27 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.86 1aij h ILE 206 Cb 0.46 0.20 -0.04 0.00 -0.74 0.00 0.00 36.82 36.70 1aij h ILE 206 CO -0.60 0.13 0.42 0.00 0.00 0.00 0.00 178.15 178.10 1aij h ALA 207 N 1.34 1.36 0.00 1.87 0.00 0.89 -0.11 119.26 124.61 1aij h ALA 207 Ca 0.30 -0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.97 1aij h ALA 207 Cb 0.15 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1aij h ALA 207 CO -0.16 0.53 -0.68 0.74 0.00 0.00 0.00 179.25 179.68 1aij h PHE 208 N 1.01 0.00 -0.17 0.00 0.04 0.32 0.49 116.94 118.63 1aij h PHE 208 Ca 0.26 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.86 1aij h PHE 208 Cb -0.00 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.15 1aij h PHE 208 CO 0.01 0.68 -0.56 1.25 -0.60 0.00 0.00 178.31 179.09 1aij h LEU 209 N 0.00 0.79 -0.60 1.54 5.85 0.27 0.19 115.31 123.35 1aij h LEU 209 Ca -0.01 -0.60 -0.11 0.00 0.84 0.00 0.00 57.88 58.01 1aij h LEU 209 Cb 1.46 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 42.24 1aij h LEU 209 CO 0.09 1.25 -0.08 1.88 -0.34 0.00 0.00 178.44 181.24 1aij h TYR 210 N 0.37 1.13 -0.71 1.25 0.05 -1.09 -2.99 116.97 114.98 1aij h TYR 210 Ca -0.02 -0.22 -0.01 0.00 0.05 0.00 0.00 58.73 58.53 1aij h TYR 210 Cb 1.18 -0.28 -0.03 0.00 1.01 0.00 0.00 36.73 38.60 1aij h TYR 210 CO 0.09 1.03 0.40 0.78 -1.05 0.00 0.00 178.16 179.42 1aij h GLY 211 N 0.96 1.06 0.92 3.88 0.00 -0.60 -0.76 103.07 108.52 1aij h GLY 211 Ca 0.15 -0.47 0.02 0.00 0.00 0.00 0.00 47.33 47.03 1aij h GLY 211 CO 0.04 0.45 0.49 1.76 0.00 0.00 0.00 176.54 179.29 1aij h SER 212 N 0.98 0.82 0.99 0.19 0.02 -0.56 0.94 113.55 116.94 1aij h SER 212 Ca 0.25 -0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 61.07 1aij h SER 212 Cb 0.03 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.36 1aij h SER 212 CO -0.04 0.58 -0.58 0.00 -1.14 0.00 0.00 176.83 175.65 1aij h ALA 213 N 1.31 0.78 0.01 3.77 0.00 -1.29 -0.25 119.26 123.58 1aij h ALA 213 Ca 0.29 -0.53 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 1aij h ALA 213 Cb -0.03 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1aij h ALA 213 CO -0.09 0.72 -0.00 1.25 0.00 0.00 0.00 179.25 181.13 1aij h LEU 214 N 0.00 -0.01 -0.28 0.00 5.85 -0.73 -2.24 115.31 117.90 1aij h LEU 214 Ca -0.01 -0.32 -0.20 0.00 0.84 0.00 0.00 57.88 58.19 1aij h LEU 214 Cb 1.23 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.26 1aij h LEU 214 CO 0.08 0.32 -0.71 0.25 -0.34 0.00 0.00 178.44 178.03 1aij h LEU 215 N -0.33 0.80 -0.56 2.25 5.85 -0.77 -0.21 115.31 122.33 1aij h LEU 215 Ca -0.00 -0.50 -0.15 0.00 0.84 0.00 0.00 57.88 58.06 1aij h LEU 215 Cb 0.33 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 1aij h LEU 215 CO 0.00 1.28 -0.70 0.15 -0.34 0.00 0.00 178.44 178.83 1aij h PHE 216 N 0.48 0.13 -0.23 1.25 3.04 -1.14 0.18 116.94 120.65 1aij h PHE 216 Ca -0.03 -0.06 -0.00 0.00 3.98 0.00 0.00 57.97 61.86 1aij h PHE 216 Cb 1.32 -0.02 -0.01 0.00 2.56 0.00 0.00 35.95 39.80 1aij h PHE 216 CO 0.07 0.77 0.14 0.00 -2.02 0.00 0.00 178.31 177.26 1aij h ALA 217 N 1.22 0.30 0.13 2.41 0.00 -1.27 -0.07 119.26 121.98 1aij h ALA 217 Ca -0.01 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1aij h ALA 217 Cb 1.25 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1aij h ALA 217 CO 0.10 -0.18 -0.06 0.52 0.00 0.00 0.00 179.25 179.62 1aij h MET 218 N 0.28 -0.17 -0.24 0.00 2.86 -0.80 -1.75 114.93 115.11 1aij h MET 218 Ca 0.08 0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.69 1aij h MET 218 Cb 0.04 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 1aij h MET 218 CO -0.01 -0.03 -0.02 1.25 1.06 0.00 0.00 176.91 179.15 1aij h HIS 219 N -0.27 0.47 -0.34 -0.22 6.17 -0.58 -0.79 115.15 119.59 1aij h HIS 219 Ca -0.02 -0.09 0.01 0.00 0.71 0.00 0.00 60.37 60.99 1aij h HIS 219 Cb 0.22 -0.12 -0.02 0.00 2.52 0.00 0.00 27.41 30.01 1aij h HIS 219 CO -0.04 0.62 0.20 0.78 0.71 0.00 0.00 177.93 180.20 1aij h GLY 220 N 0.19 0.46 1.16 5.26 0.00 -1.04 -0.96 103.07 108.14 1aij h GLY 220 Ca 0.07 -0.15 -0.08 0.00 0.00 0.00 0.00 47.33 47.17 1aij h GLY 220 CO 0.02 0.13 0.06 0.00 0.00 0.00 0.00 176.54 176.75 1aij h ALA 221 N 1.15 0.95 -0.09 3.60 0.00 -1.24 -1.42 119.26 122.22 1aij h ALA 221 Ca 0.13 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1aij h ALA 221 Cb 0.00 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 1aij h ALA 221 CO -0.06 0.64 0.04 1.15 0.00 0.00 0.00 179.25 181.02 1aij h THR 222 N 0.95 1.14 -0.53 0.00 2.02 -0.69 0.24 112.91 116.04 1aij h THR 222 Ca 0.18 -0.41 -0.03 0.00 0.77 0.00 0.00 66.41 66.92 1aij h THR 222 Cb 0.46 1.24 -0.02 0.00 -1.74 0.00 0.00 68.15 68.09 1aij h THR 222 CO 0.02 0.12 0.20 0.40 0.37 0.00 0.00 175.52 176.63 1aij h ILE 223 N -0.01 1.22 0.00 3.11 1.08 -0.94 -0.04 117.51 121.94 1aij h ILE 223 Ca 0.03 -0.71 -0.07 0.00 -0.39 0.00 0.00 64.86 63.73 1aij h ILE 223 Cb 0.16 0.69 -0.01 0.00 -3.07 0.00 0.00 36.82 34.59 1aij h ILE 223 CO -0.00 0.27 -0.32 -0.07 -0.69 0.00 0.00 178.15 177.34 1aij h LEU 224 N 0.72 0.00 -1.13 1.44 3.38 -1.20 0.39 115.31 118.91 1aij h LEU 224 Ca 0.18 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.07 1aij h LEU 224 Cb 0.22 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1aij h LEU 224 CO -0.01 0.32 -0.38 0.00 0.09 0.00 0.00 178.44 178.46 1aij h ALA 225 N 1.68 1.14 -0.21 1.53 0.00 0.86 -3.03 119.26 121.22 1aij h ALA 225 Ca -0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1aij h ALA 225 Cb 0.64 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1aij h ALA 225 CO 0.04 0.47 0.00 1.33 0.00 0.00 0.00 179.25 181.09 1aij n VAL 226 N -3.74 1.80 0.24 0.00 0.24 -0.45 -4.52 118.33 111.90 1aij n VAL 226 Ca -0.01 -1.66 0.09 0.00 -2.04 0.00 0.00 64.34 60.72 1aij n VAL 226 Cb 0.46 -0.01 0.60 0.00 -1.47 0.00 0.00 33.84 33.42 1aij n VAL 226 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 1aij h SER 227 N 1.39 0.00 0.00 -1.34 4.64 -0.13 -0.70 113.55 117.41 1aij h SER 227 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1aij h SER 227 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1aij h SER 227 CO 0.11 0.18 0.03 -2.11 -0.87 0.00 0.00 176.83 174.17 1aij n ARG 228 N -3.92 0.00 -0.62 4.77 1.85 -1.26 -0.44 116.66 117.04 1aij n ARG 228 Ca -0.02 0.19 0.05 0.00 -1.00 0.00 0.00 57.85 57.07 1aij n ARG 228 Cb 0.27 -1.53 0.10 0.00 -1.05 0.00 0.00 32.46 30.25 1aij n ARG 228 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1aij n PHE 229 N -1.16 0.00 -2.06 2.89 3.72 -0.68 -4.97 117.46 115.20 1aij n PHE 229 Ca 0.00 -0.76 -0.12 0.00 -0.05 0.00 0.00 57.45 56.52 1aij n PHE 229 Cb 0.03 -0.15 -0.01 0.00 -0.94 0.00 0.00 39.48 38.40 1aij n PHE 229 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1aij n GLY 230 N -0.58 0.15 0.40 1.37 0.00 0.42 -4.49 105.19 102.45 1aij n GLY 230 Ca 0.11 -0.39 0.19 0.00 0.00 0.00 0.00 46.02 45.93 1aij n GLY 230 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1aij h GLY 231 N 0.00 0.46 1.86 -0.02 0.00 -1.27 -2.07 103.07 102.03 1aij h GLY 231 Ca -0.28 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 46.94 1aij h GLY 231 CO 0.34 0.02 0.00 -1.84 0.00 0.00 0.00 176.54 175.07 1aij n GLU 232 N -4.43 0.10 -2.09 4.80 0.00 -1.26 -3.79 120.64 113.96 1aij n GLU 232 Ca 0.15 0.14 -0.42 0.00 0.00 0.00 0.00 57.16 57.03 1aij n GLU 232 Cb 0.65 -1.50 -0.00 0.00 0.00 0.00 0.00 31.44 30.59 1aij n GLU 232 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1aij n ARG 233 N -1.43 3.78 -0.21 3.44 1.74 -0.78 -4.75 116.66 118.46 1aij n ARG 233 Ca 0.06 -3.29 -0.09 0.00 -0.77 0.00 0.00 57.85 53.77 1aij n ARG 233 Cb 0.21 -2.88 0.02 0.00 -1.02 0.00 0.00 32.46 28.79 1aij n ARG 233 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1aij h GLU 234 N 5.42 1.00 -0.70 5.56 5.08 -1.84 -2.35 114.58 126.75 1aij h GLU 234 Ca 0.53 -0.29 -0.01 0.00 -1.00 0.00 0.00 59.36 58.59 1aij h GLU 234 Cb 0.52 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.63 1aij h GLU 234 CO 1.64 0.97 0.38 -0.07 -1.00 0.00 0.00 179.01 180.92 1aij h LEU 235 N 0.90 0.87 -0.98 1.33 3.38 -1.94 0.61 115.31 119.49 1aij h LEU 235 Ca 0.17 -0.10 -0.09 0.00 0.09 0.00 0.00 57.88 57.96 1aij h LEU 235 Cb 0.48 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1aij h LEU 235 CO 0.02 0.72 -0.42 -0.33 0.09 0.00 0.00 178.44 178.53 1aij h GLU 236 N 0.96 0.00 -0.05 1.13 4.39 -1.91 -1.15 114.58 117.94 1aij h GLU 236 Ca 0.24 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.84 1aij h GLU 236 Cb 0.05 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 1aij h GLU 236 CO -0.04 0.42 -0.47 1.96 -1.16 0.00 0.00 179.01 179.72 1aij h GLN 237 N 0.00 0.11 -0.04 2.33 1.08 -0.75 0.26 115.11 118.11 1aij h GLN 237 Ca -0.00 -0.06 -0.02 0.00 -1.45 0.00 0.00 58.65 57.12 1aij h GLN 237 Cb 0.89 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.32 1aij h GLN 237 CO 0.05 0.57 -0.05 0.82 -0.95 0.00 0.00 178.83 179.27 1aij h ILE 238 N 0.09 1.41 -0.24 2.54 2.04 -0.49 -2.46 117.51 120.40 1aij h ILE 238 Ca 0.00 -1.28 -0.04 0.00 1.00 0.00 0.00 64.86 64.54 1aij h ILE 238 Cb 0.87 2.19 -0.01 0.00 -0.74 0.00 0.00 36.82 39.13 1aij h ILE 238 CO 0.07 0.35 -0.04 0.00 0.00 0.00 0.00 178.15 178.53 1aij h ALA 239 N 0.50 1.51 -1.29 1.87 0.00 -1.06 -3.39 119.26 117.40 1aij h ALA 239 Ca 0.00 -0.17 -0.19 0.00 0.00 0.00 0.00 54.91 54.55 1aij h ALA 239 Cb 0.58 -0.11 -0.22 0.00 0.00 0.00 0.00 17.79 18.04 1aij h ALA 239 CO 0.01 0.35 -0.55 0.34 0.00 0.00 0.00 179.25 179.41 1aij s ASP 240 N -6.82 -0.76 0.03 0.00 2.15 0.91 -5.08 116.67 107.10 1aij s ASP 240 Ca -0.06 -1.41 -0.37 0.00 0.43 0.00 0.00 52.55 51.14 1aij s ASP 240 Cb 0.16 1.49 -0.17 0.00 -0.30 0.00 0.00 42.92 44.10 1aij s ASP 240 CO 0.74 -0.15 1.40 -1.14 -0.17 0.00 0.00 175.17 175.85 1aij n ARG 241 N 3.81 1.14 -2.91 4.34 0.63 -0.93 -4.34 116.66 118.39 1aij n ARG 241 Ca 0.15 0.41 -0.13 0.00 -0.92 0.00 0.00 57.85 57.35 1aij n ARG 241 Cb 0.54 -2.06 -0.02 0.00 0.45 0.00 0.00 32.46 31.37 1aij n ARG 241 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1aij n GLY 242 N 2.77 3.49 0.22 5.14 0.00 -1.26 -5.03 105.19 110.52 1aij n GLY 242 Ca 0.20 -2.26 0.07 0.00 0.00 0.00 0.00 46.02 44.02 1aij n GLY 242 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aij h THR 243 N 0.89 0.96 -0.09 2.61 1.03 -1.95 -2.39 112.91 113.97 1aij h THR 243 Ca -0.17 -0.96 0.02 0.00 -0.01 0.00 0.00 66.41 65.28 1aij h THR 243 Cb 0.57 1.55 -0.02 0.00 -1.07 0.00 0.00 68.15 69.19 1aij h THR 243 CO 0.28 0.25 -0.02 0.00 -0.01 0.00 0.00 175.52 176.03 1aij h ALA 244 N 1.74 0.06 -0.42 0.00 0.00 -1.88 -0.70 119.26 118.05 1aij h ALA 244 Ca -0.00 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1aij h ALA 244 Cb 0.53 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1aij h ALA 244 CO 0.03 -0.48 0.02 0.00 0.00 0.00 0.00 179.25 178.82 1aij h ALA 245 N 1.08 1.24 -0.04 0.00 0.00 -1.83 -1.38 119.26 118.34 1aij h ALA 245 Ca 0.04 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1aij h ALA 245 Cb 0.06 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1aij h ALA 245 CO -0.08 0.51 -0.03 0.93 0.00 0.00 0.00 179.25 180.57 1aij h GLU 246 N 0.64 0.09 -0.32 0.00 5.08 -1.12 -1.87 114.58 117.08 1aij h GLU 246 Ca 0.13 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.38 1aij h GLU 246 Cb 0.37 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 1aij h GLU 246 CO 0.01 0.55 -0.10 0.00 -1.00 0.00 0.00 179.01 178.47 1aij h ARG 247 N -0.37 0.54 -0.15 2.33 3.08 -1.10 -0.33 114.38 118.39 1aij h ARG 247 Ca 0.01 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 59.89 1aij h ARG 247 Cb 0.53 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 1aij h ARG 247 CO 0.01 0.65 0.05 0.00 -1.07 0.00 0.00 179.97 179.61 1aij h ALA 248 N 1.39 0.19 -0.48 0.04 0.00 -1.25 -1.23 119.26 117.91 1aij h ALA 248 Ca 0.09 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1aij h ALA 248 Cb 0.48 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1aij h ALA 248 CO 0.03 -0.20 0.29 0.00 0.00 0.00 0.00 179.25 179.37 1aij h ALA 249 N 0.88 0.62 0.00 0.00 0.00 -1.00 -2.99 119.26 116.76 1aij h ALA 249 Ca 0.05 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1aij h ALA 249 Cb 0.20 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1aij h ALA 249 CO -0.00 0.10 -0.16 -0.07 0.00 0.00 0.00 179.25 179.12 1aij h LEU 250 N 0.64 0.00 0.77 0.00 3.38 -0.99 -0.65 115.31 118.47 1aij h LEU 250 Ca 0.17 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.11 1aij h LEU 250 Cb -0.01 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.75 1aij h LEU 250 CO -0.03 0.16 -0.37 0.15 0.09 0.00 0.00 178.44 178.44 1aij h PHE 251 N 0.00 -0.96 -0.75 1.13 3.57 -1.07 -1.36 116.94 117.49 1aij h PHE 251 Ca -0.00 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.43 1aij h PHE 251 Cb 0.77 0.32 -0.03 0.00 2.79 0.00 0.00 35.95 39.80 1aij h PHE 251 CO 0.00 -0.58 0.30 -1.49 -2.23 0.00 0.00 178.31 174.31 1aij h TRP 252 N -1.14 1.14 -0.55 0.41 4.06 -1.50 0.12 115.95 118.50 1aij h TRP 252 Ca -0.11 -0.08 0.01 0.00 2.06 0.00 0.00 58.89 60.77 1aij h TRP 252 Cb 0.81 -0.34 -0.03 0.00 -1.00 0.00 0.00 29.16 28.60 1aij h TRP 252 CO -0.01 0.86 0.36 -0.09 -3.56 0.00 0.00 178.44 176.00 1aij h ARG 253 N 1.09 0.71 0.00 0.49 2.43 -1.08 0.85 114.38 118.87 1aij h ARG 253 Ca 0.25 -0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 59.27 1aij h ARG 253 Cb 0.21 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 1aij h ARG 253 CO -0.02 0.47 -0.55 -1.49 -1.51 0.00 0.00 179.97 176.87 1aij h TRP 254 N 0.73 0.00 0.16 2.20 6.55 -0.53 0.73 115.95 125.78 1aij h TRP 254 Ca 0.20 0.00 -0.01 0.00 0.95 0.00 0.00 58.89 60.03 1aij h TRP 254 Cb -0.07 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.23 1aij h TRP 254 CO -0.04 0.55 -0.07 1.15 -1.05 0.00 0.00 178.44 178.97 1aij h THR 255 N 0.00 0.60 0.00 1.49 2.02 -0.44 -3.42 112.91 113.17 1aij h THR 255 Ca -0.01 -1.14 0.00 0.00 0.77 0.00 0.00 66.41 66.04 1aij h THR 255 Cb 1.05 1.06 0.00 0.00 -1.74 0.00 0.00 68.15 68.52 1aij h THR 255 CO 0.07 0.17 -0.10 1.15 0.37 0.00 0.00 175.52 177.18 1aij n MET 256 N -4.90 1.15 0.00 6.66 0.00 0.26 -5.03 117.12 115.26 1aij n MET 256 Ca -0.06 -2.11 0.00 0.00 0.00 0.00 0.00 57.70 55.53 1aij n MET 256 Cb 0.22 -1.23 0.00 0.00 0.00 0.00 0.00 33.22 32.21 1aij n MET 256 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1aij n GLY 257 N -1.03 2.86 3.35 3.17 0.00 0.25 -4.96 105.19 108.83 1aij n GLY 257 Ca 0.11 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.02 1aij n GLY 257 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1aij s PHE 258 N -2.13 0.90 0.34 1.61 -0.71 -1.26 -4.89 117.98 111.83 1aij s PHE 258 Ca 0.00 -1.16 -0.12 0.00 -1.04 0.00 0.00 56.93 54.61 1aij s PHE 258 Cb 0.00 -0.28 0.03 0.00 -1.21 0.00 0.00 43.02 41.55 1aij s PHE 258 CO 0.00 -0.79 0.65 0.54 -1.34 0.00 0.00 175.22 174.28 1aij s ASN 259 N -3.12 0.23 0.52 1.98 4.22 -1.26 -3.20 114.94 114.31 1aij s ASN 259 Ca 0.33 -1.15 0.03 0.00 -2.14 0.00 0.00 52.86 49.93 1aij s ASN 259 Cb 0.04 0.75 0.03 0.00 1.28 0.00 0.00 41.25 43.35 1aij s ASN 259 CO 0.12 -1.46 0.27 0.00 -2.04 0.00 0.00 177.10 173.98 1aij n ALA 260 N -0.51 0.69 -2.54 3.54 0.00 -1.26 -5.05 120.51 115.38 1aij n ALA 260 Ca -0.04 -2.18 -0.25 0.00 0.00 0.00 0.00 53.44 50.97 1aij n ALA 260 Cb 0.61 1.00 -0.09 0.00 0.00 0.00 0.00 19.45 20.97 1aij n ALA 260 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1aij s THR 261 N -2.70 2.64 0.43 0.00 -4.23 -1.26 -4.71 115.64 105.80 1aij s THR 261 Ca 0.20 -2.07 0.10 0.00 -1.18 0.00 0.00 61.69 58.75 1aij s THR 261 Cb -0.02 -2.70 0.23 0.00 1.34 0.00 0.00 72.50 71.35 1aij s THR 261 CO 0.13 -0.25 2.04 -0.03 -0.54 0.00 0.00 174.62 175.97 1aij h MET 262 N 1.92 0.30 0.18 3.99 4.05 -1.91 -0.98 114.93 122.47 1aij h MET 262 Ca -0.42 -0.03 -0.24 0.00 -0.28 0.00 0.00 59.70 58.72 1aij h MET 262 Cb 1.25 -0.06 0.03 0.00 -0.80 0.00 0.00 31.60 32.02 1aij h MET 262 CO 0.66 0.27 -1.06 1.49 0.23 0.00 0.00 176.91 178.50 1aij h GLU 263 N 0.30 0.40 -0.39 0.39 4.81 -1.93 -3.38 114.58 114.77 1aij h GLU 263 Ca 0.08 -0.67 -0.07 0.00 -0.13 0.00 0.00 59.36 58.57 1aij h GLU 263 Cb 0.09 0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 1aij h GLU 263 CO -0.01 1.32 -0.03 0.78 -0.73 0.00 0.00 179.01 180.34 1aij h GLY 264 N -0.16 0.69 2.00 1.92 0.00 -1.65 -2.60 103.07 103.28 1aij h GLY 264 Ca -0.18 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 46.69 1aij h GLY 264 CO 0.20 0.42 -0.02 1.19 0.00 0.00 0.00 176.54 178.33 1aij h ILE 265 N 0.60 0.46 0.00 2.60 6.09 -1.41 -0.64 117.51 125.21 1aij h ILE 265 Ca 0.12 -0.11 0.00 0.00 -1.37 0.00 0.00 64.86 63.50 1aij h ILE 265 Cb 0.43 1.08 0.00 0.00 0.47 0.00 0.00 36.82 38.80 1aij h ILE 265 CO 0.02 0.02 0.00 0.45 -3.07 0.00 0.00 178.15 175.57 1aij h HIS 266 N 0.00 0.00 0.19 2.19 3.86 -1.67 -1.17 115.15 118.54 1aij h HIS 266 Ca -0.00 0.00 -0.28 0.00 -1.16 0.00 0.00 60.37 58.93 1aij h HIS 266 Cb 0.07 0.00 0.02 0.00 1.06 0.00 0.00 27.41 28.57 1aij h HIS 266 CO 0.00 0.00 -1.27 0.00 0.86 0.00 0.00 177.93 177.52 1aij h ARG 267 N 0.00 0.40 -0.76 2.45 3.08 -1.21 -1.90 114.38 116.44 1aij h ARG 267 Ca 0.00 -0.69 0.07 0.00 0.07 0.00 0.00 59.98 59.43 1aij h ARG 267 Cb 0.78 0.26 -0.06 0.00 0.08 0.00 0.00 29.97 31.03 1aij h ARG 267 CO 0.00 1.33 0.43 -1.49 -1.07 0.00 0.00 179.97 179.17 1aij h TRP 268 N -0.10 0.79 0.48 3.04 4.06 -1.33 -1.46 115.95 121.43 1aij h TRP 268 Ca -0.23 0.03 -0.02 0.00 2.06 0.00 0.00 58.89 60.72 1aij h TRP 268 Cb 1.93 -0.24 0.00 0.00 -1.00 0.00 0.00 29.16 29.85 1aij h TRP 268 CO 0.15 0.36 -0.23 0.00 -3.56 0.00 0.00 178.44 175.16 1aij h ALA 269 N 1.40 -0.65 -0.50 1.49 0.00 -1.23 0.07 119.26 119.85 1aij h ALA 269 Ca 0.35 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 1aij h ALA 269 Cb 0.25 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1aij h ALA 269 CO -0.21 -0.81 0.10 0.97 0.00 0.00 0.00 179.25 179.30 1aij h ILE 270 N -0.77 1.22 -0.09 0.00 2.10 -1.25 -2.19 117.51 116.53 1aij h ILE 270 Ca -0.07 -0.81 -0.22 0.00 1.08 0.00 0.00 64.86 64.84 1aij h ILE 270 Cb 0.55 0.74 0.01 0.00 -1.09 0.00 0.00 36.82 37.03 1aij h ILE 270 CO 0.11 0.30 -0.80 -0.50 -1.08 0.00 0.00 178.15 176.18 1aij h TRP 271 N 0.74 0.98 -0.05 2.19 4.06 -1.22 -0.12 115.95 122.53 1aij h TRP 271 Ca 0.16 -0.47 0.03 0.00 2.06 0.00 0.00 58.89 60.68 1aij h TRP 271 Cb 0.31 -0.14 -0.04 0.00 -1.00 0.00 0.00 29.16 28.29 1aij h TRP 271 CO 0.02 1.29 -0.19 1.98 -3.56 0.00 0.00 178.44 177.98 1aij h MET 272 N 0.39 -0.27 -0.35 0.49 4.05 -0.85 -0.77 114.93 117.62 1aij h MET 272 Ca -0.07 0.02 -0.11 0.00 -0.28 0.00 0.00 59.70 59.26 1aij h MET 272 Cb 1.44 0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 32.30 1aij h MET 272 CO 0.16 -0.18 -0.20 0.00 0.23 0.00 0.00 176.91 176.92 1aij h ALA 273 N 0.66 0.50 -0.83 0.39 0.00 -1.40 -3.16 119.26 115.41 1aij h ALA 273 Ca 0.07 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 1aij h ALA 273 Cb 0.38 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1aij h ALA 273 CO -0.21 0.45 0.52 0.28 0.00 0.00 0.00 179.25 180.29 1aij h VAL 274 N 0.54 1.23 0.00 0.00 2.07 -0.80 -2.11 116.25 117.17 1aij h VAL 274 Ca 0.07 -0.47 -0.00 0.00 0.82 0.00 0.00 66.70 67.12 1aij h VAL 274 Cb 0.75 0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1aij h VAL 274 CO 0.06 0.23 -0.00 -0.07 0.02 0.00 0.00 177.57 177.81 1aij h LEU 275 N 1.14 0.00 0.23 2.57 3.38 -1.10 -2.15 115.31 119.38 1aij h LEU 275 Ca 0.30 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.28 1aij h LEU 275 Cb -0.07 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 1aij h LEU 275 CO -0.06 0.00 -0.33 0.58 0.09 0.00 0.00 178.44 178.72 1aij h VAL 276 N 0.00 0.31 0.00 1.22 2.07 -1.43 -1.20 116.25 117.22 1aij h VAL 276 Ca -0.00 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.45 1aij h VAL 276 Cb 0.07 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 1aij h VAL 276 CO 0.00 0.00 -0.78 0.71 0.02 0.00 0.00 177.57 177.52 1aij h THR 277 N -0.63 0.36 -0.10 2.57 1.35 -1.62 -1.44 112.91 113.41 1aij h THR 277 Ca 0.00 -1.59 -0.02 0.00 -0.55 0.00 0.00 66.41 64.26 1aij h THR 277 Cb 0.61 1.99 -0.00 0.00 -1.73 0.00 0.00 68.15 69.01 1aij h THR 277 CO -0.12 0.21 -0.01 0.25 -0.25 0.00 0.00 175.52 175.60 1aij h LEU 278 N 0.00 0.17 -0.24 3.87 5.85 -1.27 0.15 115.31 123.84 1aij h LEU 278 Ca -0.04 -0.33 -0.14 0.00 0.84 0.00 0.00 57.88 58.21 1aij h LEU 278 Cb 1.26 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 42.24 1aij h LEU 278 CO 0.03 0.46 -0.41 0.71 -0.34 0.00 0.00 178.44 178.89 1aij h THR 279 N -0.12 1.31 -0.50 1.05 1.35 -1.27 -2.91 112.91 111.82 1aij h THR 279 Ca 0.03 -1.61 0.08 0.00 -0.55 0.00 0.00 66.41 64.36 1aij h THR 279 Cb 0.37 1.74 -0.07 0.00 -1.73 0.00 0.00 68.15 68.47 1aij h THR 279 CO 0.01 0.51 0.10 1.23 -0.25 0.00 0.00 175.52 177.12 1aij h GLY 280 N 0.42 0.61 1.00 5.82 0.00 -1.22 -0.88 103.07 108.82 1aij h GLY 280 Ca 0.02 -0.02 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 1aij h GLY 280 CO 0.09 -0.07 0.34 -1.33 0.00 0.00 0.00 176.54 175.58 1aij h GLY 281 N 0.24 0.81 0.96 4.60 0.00 -0.65 -0.79 103.07 108.24 1aij h GLY 281 Ca 0.25 -0.33 -0.04 0.00 0.00 0.00 0.00 47.33 47.20 1aij h GLY 281 CO -0.32 0.32 0.12 -2.22 0.00 0.00 0.00 176.54 174.44 1aij h ILE 282 N 0.76 1.23 -0.38 2.60 2.04 -1.26 -0.50 117.51 122.00 1aij h ILE 282 Ca 0.20 -0.80 0.06 0.00 1.00 0.00 0.00 64.86 65.32 1aij h ILE 282 Cb -0.03 0.87 -0.05 0.00 -0.74 0.00 0.00 36.82 36.87 1aij h ILE 282 CO -0.04 0.29 0.07 1.23 0.00 0.00 0.00 178.15 179.69 1aij h GLY 283 N 0.62 0.44 1.09 5.37 0.00 -0.59 -1.47 103.07 108.52 1aij h GLY 283 Ca 0.15 -0.01 -0.19 0.00 0.00 0.00 0.00 47.33 47.27 1aij h GLY 283 CO -0.00 -0.04 -0.63 -2.22 0.00 0.00 0.00 176.54 173.65 1aij h ILE 284 N 0.19 1.29 -0.45 2.60 1.08 -1.00 -3.07 117.51 118.16 1aij h ILE 284 Ca 0.18 -1.85 0.02 0.00 -0.39 0.00 0.00 64.86 62.83 1aij h ILE 284 Cb 0.22 1.91 -0.02 0.00 -3.07 0.00 0.00 36.82 35.86 1aij h ILE 284 CO -0.25 0.58 0.30 0.25 -0.69 0.00 0.00 178.15 178.34 1aij h LEU 285 N 0.48 0.44 -0.41 1.44 5.85 -0.55 -0.83 115.31 121.74 1aij h LEU 285 Ca -0.03 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.60 1aij h LEU 285 Cb 1.26 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.17 1aij h LEU 285 CO 0.13 0.31 -0.41 -0.07 -0.34 0.00 0.00 178.44 178.06 1aij h LEU 286 N 0.52 0.00 -9.19 2.25 3.38 -1.30 -3.39 115.31 107.57 1aij h LEU 286 Ca 0.18 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.59 1aij h LEU 286 Cb 0.07 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1aij h LEU 286 CO -0.04 0.41 1.00 -0.44 0.09 0.00 0.00 178.44 179.46 1aij s SER 287 N -6.40 6.79 0.00 -0.43 0.01 -0.32 -1.32 113.70 112.03 1aij s SER 287 Ca 0.03 1.92 0.00 0.00 1.31 0.00 0.00 55.95 59.21 1aij s SER 287 Cb 0.09 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.78 1aij s SER 287 CO 0.71 -0.86 0.00 0.61 0.41 0.00 0.00 173.24 174.11 1aij n GLY 288 N 3.90 2.75 0.12 3.44 0.00 0.57 -4.77 105.19 111.20 1aij n GLY 288 Ca 0.16 -0.12 -0.22 0.00 0.00 0.00 0.00 46.02 45.84 1aij n GLY 288 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1aij h THR 289 N 0.00 0.78 0.00 2.61 1.35 -1.72 -3.44 112.91 112.49 1aij h THR 289 Ca 0.00 -2.27 -0.26 0.00 -0.55 0.00 0.00 66.41 63.33 1aij h THR 289 Cb 0.00 2.39 -0.04 0.00 -1.73 0.00 0.00 68.15 68.77 1aij h THR 289 CO 0.00 0.63 -1.87 0.52 -0.25 0.00 0.00 175.52 174.54 1aij n VAL 290 N -3.94 0.85 -4.10 6.82 0.31 -0.43 -5.00 118.33 112.85 1aij n VAL 290 Ca -0.32 -0.22 -0.34 0.00 -0.01 0.00 0.00 64.34 63.45 1aij n VAL 290 Cb 0.88 -1.68 -0.14 0.00 -0.91 0.00 0.00 33.84 31.99 1aij n VAL 290 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1aij s VAL 291 N -2.29 3.07 -0.07 2.52 1.01 -0.61 -4.98 120.40 119.05 1aij s VAL 291 Ca -0.22 -0.61 0.14 0.00 0.00 0.00 0.00 61.98 61.30 1aij s VAL 291 Cb 0.08 -2.36 -0.16 0.00 0.00 0.00 0.00 36.38 33.94 1aij s VAL 291 CO 0.28 0.46 0.84 0.44 0.00 0.00 0.00 175.10 177.12 1aij h ASP 292 N 7.83 0.00 -2.90 3.32 3.32 -1.87 0.16 116.42 126.29 1aij h ASP 292 Ca -0.40 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.32 1aij h ASP 292 Cb 1.17 0.00 -0.37 0.00 0.22 0.00 0.00 39.33 40.35 1aij h ASP 292 CO 0.60 0.77 -0.66 0.21 -1.72 0.00 0.00 179.24 178.44 1aij s ASN 293 N -6.02 1.28 0.37 6.45 3.84 -1.26 -4.28 114.94 115.33 1aij s ASN 293 Ca -0.03 -0.04 0.18 0.00 0.21 0.00 0.00 52.86 53.18 1aij s ASN 293 Cb 0.08 0.20 0.69 0.00 -0.55 0.00 0.00 41.25 41.68 1aij s ASN 293 CO 0.81 -0.29 1.75 -0.50 -2.79 0.00 0.00 177.10 176.08 1aij h TRP 294 N 8.36 0.00 -0.02 0.43 4.06 -1.05 -1.18 115.95 126.55 1aij h TRP 294 Ca -0.15 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.80 1aij h TRP 294 Cb 1.14 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.29 1aij h TRP 294 CO 0.28 0.39 0.01 -0.92 -3.56 0.00 0.00 178.44 174.63 1aij h TYR 295 N 0.00 0.03 -0.22 0.49 3.20 -1.73 0.45 116.97 119.19 1aij h TYR 295 Ca -0.00 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.87 1aij h TYR 295 Cb 0.87 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 39.12 1aij h TYR 295 CO 0.00 0.17 0.14 0.28 -1.64 0.00 0.00 178.16 177.11 1aij h VAL 296 N -0.12 1.04 -0.98 1.81 2.07 -1.81 -1.97 116.25 116.29 1aij h VAL 296 Ca 0.01 -0.10 0.04 0.00 0.82 0.00 0.00 66.70 67.47 1aij h VAL 296 Cb 0.15 0.73 -0.06 0.00 -1.52 0.00 0.00 31.29 30.59 1aij h VAL 296 CO -0.00 0.05 0.64 -0.25 0.02 0.00 0.00 177.57 178.03 1aij h TRP 297 N 0.29 1.20 0.00 1.57 7.01 -1.11 -0.80 115.95 124.10 1aij h TRP 297 Ca 0.08 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.10 1aij h TRP 297 Cb -0.02 -0.40 -0.00 0.00 -2.10 0.00 0.00 29.16 26.64 1aij h TRP 297 CO -0.07 0.69 -0.06 0.78 -2.79 0.00 0.00 178.44 176.98 1aij h GLY 298 N 1.23 0.00 1.90 2.65 0.00 -0.20 -2.69 103.07 105.97 1aij h GLY 298 Ca 0.39 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.57 1aij h GLY 298 CO -0.13 0.00 -0.66 1.46 0.00 0.00 0.00 176.54 177.21 1aij h GLN 299 N 0.00 0.10 -2.39 4.80 1.08 -0.47 -3.28 115.11 114.94 1aij h GLN 299 Ca -0.00 -0.08 -0.76 0.00 -1.45 0.00 0.00 58.65 56.36 1aij h GLN 299 Cb 0.12 0.01 -0.20 0.00 -0.05 0.00 0.00 27.48 27.37 1aij h GLN 299 CO 0.01 0.72 1.64 0.09 -0.95 0.00 0.00 178.83 180.34 1aij n ASN 300 N -3.78 7.65 0.00 1.46 5.03 -1.01 -5.13 115.26 119.47 1aij n ASN 300 Ca -0.02 -3.42 0.00 0.00 0.87 0.00 0.00 54.58 52.01 1aij n ASN 300 Cb 0.66 -1.26 0.00 0.00 -1.02 0.00 0.00 39.78 38.16 1aij n ASN 300 CO 0.00 0.00 0.00 1.57 -1.83 0.00 0.00 177.26 177.00