#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fex s ARG 3 N 0.00 4.42 0.04 1.43 0.52 -1.26 -5.03 118.95 119.07 3fex s ARG 3 Ca 0.00 2.07 0.06 0.00 -0.52 0.00 0.00 55.73 57.34 3fex s ARG 3 Cb 0.00 -3.15 -0.02 0.00 0.52 0.00 0.00 34.95 32.30 3fex s ARG 3 CO 0.00 -0.15 -0.17 1.03 0.02 0.00 0.00 175.30 176.03 3fex s ARG 4 N -0.94 1.10 0.82 3.54 0.52 -1.26 -5.14 118.95 117.59 3fex s ARG 4 Ca 0.52 -0.83 -0.12 0.00 -0.52 0.00 0.00 55.73 54.78 3fex s ARG 4 Cb -0.37 -1.16 0.08 0.00 0.52 0.00 0.00 34.95 34.02 3fex s ARG 4 CO 0.44 0.29 1.11 1.03 0.02 0.00 0.00 175.30 178.19 3fex s ARG 5 N -1.16 1.93 0.06 3.54 0.52 -1.26 -4.95 118.95 117.62 3fex s ARG 5 Ca 0.04 0.55 -0.31 0.00 -0.52 0.00 0.00 55.73 55.50 3fex s ARG 5 Cb -0.08 -1.91 -0.08 0.00 0.52 0.00 0.00 34.95 33.40 3fex s ARG 5 CO 0.01 -1.71 1.69 -1.58 0.02 0.00 0.00 175.30 173.74 3fex s HIS 6 N -3.20 2.26 0.82 -0.53 5.65 -1.26 -4.96 115.29 114.07 3fex s HIS 6 Ca 0.61 0.21 -0.13 0.00 0.25 0.00 0.00 55.06 56.00 3fex s HIS 6 Cb -0.14 -4.00 0.08 0.00 -1.18 0.00 0.00 32.58 27.33 3fex s HIS 6 CO 0.54 -4.08 1.10 0.43 -0.65 0.00 0.00 174.74 172.07 3fex n SER 7 N 5.94 0.63 -0.90 9.88 7.64 -1.26 -4.76 113.62 130.79 3fex n SER 7 Ca 0.16 0.56 0.00 0.00 1.01 0.00 0.00 58.87 60.61 3fex n SER 7 Cb 0.41 -1.47 0.00 0.00 -1.01 0.00 0.00 64.21 62.14 3fex n SER 7 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3fex n ASP 8 N -2.99 -5.02 -1.83 6.43 8.00 -1.26 -4.63 116.55 115.25 3fex n ASP 8 Ca 0.13 0.92 -0.16 0.00 0.71 0.00 0.00 54.79 56.39 3fex n ASP 8 Cb 0.51 -2.40 0.05 0.00 -0.02 0.00 0.00 41.12 39.25 3fex n ASP 8 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 3fex n GLU 9 N -1.65 1.78 -0.38 -1.24 4.07 -1.26 -4.89 120.64 117.07 3fex n GLU 9 Ca 0.00 -1.59 0.00 0.00 -0.06 0.00 0.00 57.16 55.51 3fex n GLU 9 Cb 0.16 -1.62 0.00 0.00 -0.06 0.00 0.00 31.44 29.92 3fex n GLU 9 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 3fex n ASN 10 N 0.15 0.00 -0.57 4.31 3.02 -1.26 -5.05 115.26 115.85 3fex n ASN 10 Ca 0.31 -0.79 -0.02 0.00 -0.03 0.00 0.00 54.58 54.05 3fex n ASN 10 Cb 0.71 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.86 3fex n ASN 10 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3fex n ASP 11 N -2.36 -0.30 0.00 6.41 5.75 -1.26 -5.00 116.55 119.79 3fex n ASP 11 Ca 0.00 -1.03 0.00 0.00 -0.01 0.00 0.00 54.79 53.75 3fex n ASP 11 Cb 0.00 0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.18 3fex n ASP 11 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3fex n GLY 12 N 0.00 3.64 0.94 6.12 0.00 -1.26 -4.80 105.19 109.82 3fex n GLY 12 Ca -0.08 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 44.96 3fex n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fex n GLY 13 N 0.00 0.85 3.81 -0.02 0.00 -1.26 -5.09 105.19 103.47 3fex n GLY 13 Ca 0.00 -0.43 -0.22 0.00 0.00 0.00 0.00 46.02 45.37 3fex n GLY 13 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3fex s GLN 14 N -3.16 2.66 0.03 1.61 -1.52 -1.26 -5.07 119.66 112.95 3fex s GLN 14 Ca 0.00 -1.30 -0.30 0.00 -1.95 0.00 0.00 55.36 51.81 3fex s GLN 14 Cb 0.00 -2.41 -0.08 0.00 -0.22 0.00 0.00 33.01 30.30 3fex s GLN 14 CO 0.00 0.19 1.74 -2.14 -0.25 0.00 0.00 175.29 174.82 3fex s PRO 15 N -3.91 4.18 0.33 2.91 0.02 -1.26 -4.87 135.00 132.40 3fex s PRO 15 Ca 0.38 2.37 0.12 0.00 0.02 0.00 0.00 61.00 63.89 3fex s PRO 15 Cb -0.06 -3.86 0.57 0.00 0.02 0.00 0.00 34.50 31.18 3fex s PRO 15 CO 0.25 -0.83 1.73 0.45 -0.33 0.00 0.00 177.00 178.27 3fex h HIS 16 N 9.27 0.00 -3.30 6.54 3.86 -2.06 -3.43 115.15 126.02 3fex h HIS 16 Ca -0.43 0.00 -0.21 0.00 -1.16 0.00 0.00 60.37 58.57 3fex h HIS 16 Cb 1.20 0.00 -0.29 0.00 1.06 0.00 0.00 27.41 29.39 3fex h HIS 16 CO 0.86 0.48 -0.56 0.15 0.86 0.00 0.00 177.93 179.71 3fex s LYS 17 N -3.89 0.15 0.15 2.45 1.02 -1.26 -5.16 119.74 113.18 3fex s LYS 17 Ca -0.02 0.29 0.05 0.00 0.02 0.00 0.00 55.97 56.31 3fex s LYS 17 Cb 0.13 -0.03 -0.04 0.00 -0.52 0.00 0.00 37.83 37.38 3fex s LYS 17 CO 0.74 -0.09 0.12 1.03 -0.92 0.00 0.00 175.35 176.23 3fex s ARG 18 N 0.58 2.89 -0.12 1.68 0.52 -1.26 -5.12 118.95 118.11 3fex s ARG 18 Ca -0.04 -0.83 0.01 0.00 -0.52 0.00 0.00 55.73 54.35 3fex s ARG 18 Cb -0.06 -2.66 0.02 0.00 0.52 0.00 0.00 34.95 32.77 3fex s ARG 18 CO -0.03 0.50 -0.14 0.50 0.02 0.00 0.00 175.30 176.16 3fex s ARG 19 N -2.94 2.17 -0.41 3.54 3.52 -1.26 -5.09 118.95 118.48 3fex s ARG 19 Ca 0.30 -0.53 -0.28 0.00 -0.13 0.00 0.00 55.73 55.10 3fex s ARG 19 Cb -0.11 -1.93 -0.02 0.00 -1.56 0.00 0.00 34.95 31.33 3fex s ARG 19 CO 0.23 -0.15 1.87 0.21 -0.81 0.00 0.00 175.30 176.66 3fex s LYS 20 N 1.25 3.05 0.06 5.12 2.20 -1.26 -4.83 119.74 125.33 3fex s LYS 20 Ca -0.01 1.23 0.19 0.00 -0.36 0.00 0.00 55.97 57.02 3fex s LYS 20 Cb -0.14 -4.28 -0.14 0.00 -1.51 0.00 0.00 37.83 31.76 3fex s LYS 20 CO -0.06 -2.20 0.77 -2.37 -0.36 0.00 0.00 175.35 171.13 3fex n THR 21 N 7.42 0.96 -3.08 3.43 5.66 -1.26 -5.00 114.28 122.40 3fex n THR 21 Ca 0.23 -0.65 0.00 0.00 -3.05 0.00 0.00 64.05 60.58 3fex n THR 21 Cb 0.49 -0.55 0.00 0.00 -1.55 0.00 0.00 70.33 68.71 3fex n THR 21 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 3fex n SER 22 N -2.76 0.00 -3.52 1.09 3.41 -1.26 -5.19 113.62 105.38 3fex n SER 22 Ca -0.09 -0.20 -0.11 0.00 -0.26 0.00 0.00 58.87 58.21 3fex n SER 22 Cb 0.77 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.69 3fex n SER 22 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3fex s ASP 23 N 0.69 -0.42 -0.21 4.04 3.68 -1.26 -5.09 116.67 118.10 3fex s ASP 23 Ca 0.00 -0.15 -0.17 0.00 2.13 0.00 0.00 52.55 54.36 3fex s ASP 23 Cb 0.00 0.55 -0.08 0.00 -1.45 0.00 0.00 42.92 41.94 3fex s ASP 23 CO 0.00 -0.93 -0.35 0.00 0.13 0.00 0.00 175.17 174.02 3fex n ALA 24 N -0.32 0.98 0.20 3.66 0.00 -1.26 -4.19 120.51 119.59 3fex n ALA 24 Ca -0.16 -0.91 -0.16 0.00 0.00 0.00 0.00 53.44 52.21 3fex n ALA 24 Cb 0.64 0.07 -0.08 0.00 0.00 0.00 0.00 19.45 20.08 3fex n ALA 24 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3fex h ASN 25 N -1.00 -1.19 0.00 0.00 4.21 -1.98 0.43 115.58 116.05 3fex h ASN 25 Ca -0.23 0.11 0.00 0.00 1.21 0.00 0.00 56.30 57.40 3fex h ASN 25 Cb 1.20 0.42 0.00 0.00 -1.12 0.00 0.00 38.32 38.81 3fex h ASN 25 CO -0.14 -0.54 0.04 -0.08 -1.29 0.00 0.00 177.43 175.42 3fex h GLU 26 N -0.78 0.00 0.07 0.81 4.81 -2.00 -1.69 114.58 115.80 3fex h GLU 26 Ca -0.02 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 58.98 3fex h GLU 26 Cb 0.73 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.10 3fex h GLU 26 CO -0.13 0.00 -1.22 1.15 -0.73 0.00 0.00 179.01 178.08 3fex h THR 27 N 0.00 1.08 0.00 0.32 2.02 -1.40 -3.25 112.91 111.69 3fex h THR 27 Ca 0.00 -2.34 0.00 0.00 0.77 0.00 0.00 66.41 64.84 3fex h THR 27 Cb 0.08 2.67 0.00 0.00 -1.74 0.00 0.00 68.15 69.17 3fex h THR 27 CO 0.00 0.60 0.00 -0.62 0.37 0.00 0.00 175.52 175.87 3fex n GLU 28 N -4.12 0.47 0.00 6.66 1.02 0.14 -0.36 120.64 124.46 3fex n GLU 28 Ca -0.25 0.03 0.04 0.00 -0.02 0.00 0.00 57.16 56.96 3fex n GLU 28 Cb 0.80 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 30.61 3fex n GLU 28 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3fex n ASP 29 N -1.07 0.40 0.02 1.62 9.92 -0.71 -3.12 116.55 123.61 3fex n ASP 29 Ca 0.12 0.17 -0.05 0.00 -0.53 0.00 0.00 54.79 54.50 3fex n ASP 29 Cb 0.08 1.00 -0.10 0.00 -0.64 0.00 0.00 41.12 41.45 3fex n ASP 29 CO 0.00 0.00 0.00 -0.74 0.13 0.00 0.00 177.20 176.59 3fex h HIS 30 N 0.00 0.00 -0.17 1.24 2.76 -0.73 -2.28 115.15 115.98 3fex h HIS 30 Ca -0.16 0.00 -0.21 0.00 -2.20 0.00 0.00 60.37 57.80 3fex h HIS 30 Cb 1.43 0.00 0.01 0.00 1.55 0.00 0.00 27.41 30.40 3fex h HIS 30 CO 0.00 0.83 -0.71 -0.07 -1.30 0.00 0.00 177.93 176.68 3fex h LEU 31 N 0.00 0.92 -0.47 0.26 3.38 -1.00 -2.60 115.31 115.81 3fex h LEU 31 Ca -0.17 -0.61 -0.02 0.00 0.09 0.00 0.00 57.88 57.16 3fex h LEU 31 Cb 1.78 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 42.24 3fex h LEU 31 CO 0.08 1.38 0.21 -0.08 0.09 0.00 0.00 178.44 180.12 3fex h GLU 32 N 0.51 0.68 -0.67 1.13 4.81 -1.63 -0.92 114.58 118.49 3fex h GLU 32 Ca -0.04 -0.11 0.05 0.00 -0.13 0.00 0.00 59.36 59.13 3fex h GLU 32 Cb 1.34 -0.12 -0.05 0.00 0.63 0.00 0.00 28.75 30.55 3fex h GLU 32 CO 0.15 0.59 0.39 1.03 -0.73 0.00 0.00 179.01 180.43 3fex h SER 33 N 0.61 0.60 -0.27 1.04 0.87 -1.41 -0.87 113.55 114.13 3fex h SER 33 Ca 0.16 0.02 -0.10 0.00 -1.23 0.00 0.00 61.79 60.63 3fex h SER 33 Cb 0.14 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 61.99 3fex h SER 33 CO -0.02 0.40 -0.24 -0.07 -0.53 0.00 0.00 176.83 176.37 3fex h LEU 34 N 0.73 0.67 -0.88 2.23 3.38 -1.30 0.56 115.31 120.70 3fex h LEU 34 Ca 0.29 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.80 3fex h LEU 34 Cb 0.13 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.69 3fex h LEU 34 CO -0.16 0.99 0.00 -0.38 0.09 0.00 0.00 178.44 178.99 3fex n ILE 35 N -4.34 1.10 -0.07 1.22 5.41 -0.36 -2.27 119.36 120.05 3fex n ILE 35 Ca -0.04 0.50 -0.08 0.00 1.00 0.00 0.00 62.75 64.13 3fex n ILE 35 Cb 0.44 -1.46 -0.03 0.00 -0.71 0.00 0.00 39.64 37.88 3fex n ILE 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3fex n LYS 37 N -4.23 0.11 -1.66 0.00 5.02 0.19 -4.66 118.16 112.93 3fex n LYS 37 Ca -0.12 0.59 -0.43 0.00 -2.02 0.00 0.00 58.31 56.33 3fex n LYS 37 Cb 0.44 -1.84 -0.03 0.00 -0.02 0.00 0.00 35.03 33.57 3fex n LYS 37 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 3fex n VAL 38 N -2.06 0.71 -0.02 -0.18 3.14 -0.96 -2.53 118.33 116.42 3fex n VAL 38 Ca -0.01 -0.16 0.00 0.00 -2.96 0.00 0.00 64.34 61.21 3fex n VAL 38 Cb 0.04 -2.26 0.00 0.00 -1.06 0.00 0.00 33.84 30.56 3fex n VAL 38 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3fex n GLY 39 N 4.65 1.77 0.02 7.55 0.00 -1.26 -5.06 105.19 112.86 3fex n GLY 39 Ca 0.21 -0.01 -0.02 0.00 0.00 0.00 0.00 46.02 46.21 3fex n GLY 39 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3fex n GLU 40 N -0.78 2.74 0.00 1.61 1.02 -1.05 -5.13 120.64 119.04 3fex n GLU 40 Ca 0.00 -0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 3fex n GLU 40 Cb 0.00 -1.14 0.00 0.00 -0.02 0.00 0.00 31.44 30.28 3fex n GLU 40 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3fex n SER 45 N 0.00 0.09 -0.06 0.00 3.41 -1.26 -4.97 113.62 110.83 3fex n SER 45 Ca 0.00 -1.28 -0.03 0.00 -0.26 0.00 0.00 58.87 57.30 3fex n SER 45 Cb 0.00 -0.54 -0.02 0.00 -0.26 0.00 0.00 64.21 63.38 3fex n SER 45 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3fex h LEU 46 N 0.00 0.00 -0.61 1.04 5.85 -2.00 -3.21 115.31 116.37 3fex h LEU 46 Ca -0.23 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.36 3fex h LEU 46 Cb 0.65 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.68 3fex h LEU 46 CO 0.17 0.65 0.00 -1.84 -0.34 0.00 0.00 178.44 177.08 3fex n GLU 47 N -4.71 0.08 -0.06 1.25 0.00 -1.26 -0.86 120.64 115.07 3fex n GLU 47 Ca -0.04 0.51 -0.07 0.00 0.00 0.00 0.00 57.16 57.56 3fex n GLU 47 Cb 0.14 -1.72 -0.06 0.00 0.00 0.00 0.00 31.44 29.81 3fex n GLU 47 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 3fex h SER 48 N 0.00 0.00 -0.67 -1.84 0.87 -1.97 -3.11 113.55 106.83 3fex h SER 48 Ca 0.00 -0.44 -0.07 0.00 -1.23 0.00 0.00 61.79 60.05 3fex h SER 48 Cb 0.08 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.01 3fex h SER 48 CO 0.00 0.74 0.13 0.78 -0.53 0.00 0.00 176.83 177.95 3fex h ASN 49 N -1.00 1.05 -0.05 6.23 2.35 -1.44 -2.18 115.58 120.54 3fex h ASN 49 Ca -0.01 -0.25 0.03 0.00 -0.55 0.00 0.00 56.30 55.52 3fex h ASN 49 Cb 0.47 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.53 3fex h ASN 49 CO -0.00 1.03 -0.12 -0.07 -1.65 0.00 0.00 177.43 176.62 3fex h LEU 50 N 1.03 -0.35 -1.12 1.61 3.38 -1.17 0.30 115.31 119.00 3fex h LEU 50 Ca 0.21 0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.25 3fex h LEU 50 Cb 0.41 0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.27 3fex h LEU 50 CO 0.01 -0.16 0.60 -0.08 0.09 0.00 0.00 178.44 178.90 3fex h GLU 51 N -0.17 1.17 -0.21 1.13 4.81 -1.46 0.16 114.58 120.01 3fex h GLU 51 Ca 0.06 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 3fex h GLU 51 Cb 0.25 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 3fex h GLU 51 CO -0.15 0.77 0.02 0.78 -0.73 0.00 0.00 179.01 179.70 3fex h GLY 52 N 1.20 0.38 2.00 1.92 0.00 -0.83 -2.96 103.07 104.79 3fex h GLY 52 Ca 0.34 -0.26 -0.04 0.00 0.00 0.00 0.00 47.33 47.37 3fex h GLY 52 CO -0.08 0.24 -0.18 -2.00 0.00 0.00 0.00 176.54 174.52 3fex h LEU 53 N 0.14 0.00 -0.41 3.11 5.85 0.06 -2.42 115.31 121.64 3fex h LEU 53 Ca 0.06 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.82 3fex h LEU 53 Cb 0.34 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.34 3fex h LEU 53 CO 0.01 0.18 0.20 0.00 -0.34 0.00 0.00 178.44 178.48 3fex h ALA 54 N 1.82 0.51 0.18 1.25 0.00 -0.80 -1.86 119.26 120.35 3fex h ALA 54 Ca -0.00 0.02 -0.30 0.00 0.00 0.00 0.00 54.91 54.63 3fex h ALA 54 Cb 0.41 -0.05 0.03 0.00 0.00 0.00 0.00 17.79 18.19 3fex h ALA 54 CO 0.02 -0.17 -1.29 0.78 0.00 0.00 0.00 179.25 178.60 3fex h GLY 55 N 0.40 0.64 0.77 0.00 0.00 -1.52 -3.15 103.07 100.20 3fex h GLY 55 Ca 0.18 -1.46 0.08 0.00 0.00 0.00 0.00 47.33 46.12 3fex h GLY 55 CO -0.13 1.29 0.61 -2.08 0.00 0.00 0.00 176.54 176.22 3fex h VAL 56 N 0.16 1.04 -0.48 4.60 2.07 -1.33 0.70 116.25 123.00 3fex h VAL 56 Ca -0.21 -0.35 -0.13 0.00 0.82 0.00 0.00 66.70 66.83 3fex h VAL 56 Cb 1.98 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 3fex h VAL 56 CO 0.25 0.19 -0.19 -0.07 0.02 0.00 0.00 177.57 177.76 3fex h LEU 57 N 1.03 0.99 -0.85 2.57 3.38 -1.44 -3.09 115.31 117.90 3fex h LEU 57 Ca 0.41 -0.36 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 3fex h LEU 57 Cb 0.26 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 3fex h LEU 57 CO -0.17 1.15 0.19 -0.08 0.09 0.00 0.00 178.44 179.61 3fex h GLU 58 N 0.84 1.04 0.00 1.13 4.81 -1.03 -1.26 114.58 120.11 3fex h GLU 58 Ca 0.12 -0.22 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 3fex h GLU 58 Cb 0.76 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.99 3fex h GLU 58 CO 0.06 0.90 0.00 0.00 -0.73 0.00 0.00 179.01 179.25 3fex n ALA 59 N -2.45 2.16 -0.55 2.92 0.00 0.06 -1.56 120.51 121.08 3fex n ALA 59 Ca 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3fex n ALA 59 Cb 0.23 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.68 3fex n ALA 59 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3fex n ASP 60 N -0.50 0.78 0.04 0.00 8.00 -0.51 -4.83 116.55 119.52 3fex n ASP 60 Ca 0.00 -1.33 -0.15 0.00 0.71 0.00 0.00 54.79 54.02 3fex n ASP 60 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.05 3fex n ASP 60 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3fex h LEU 61 N 0.00 0.69 -2.01 0.64 3.38 -0.91 -1.73 115.31 115.38 3fex h LEU 61 Ca 0.00 -0.52 0.15 0.00 0.09 0.00 0.00 57.88 57.60 3fex h LEU 61 Cb 0.65 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 3fex h LEU 61 CO 0.00 1.31 0.39 -0.65 0.09 0.00 0.00 178.44 179.58 3fex h PRO 62 N 0.33 0.00 0.00 1.13 0.11 -1.88 -1.45 132.00 130.24 3fex h PRO 62 Ca -0.08 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.75 3fex h PRO 62 Cb 1.54 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.60 3fex h PRO 62 CO 0.17 0.00 -2.05 0.09 -0.21 0.00 0.00 178.00 176.00 3fex n ASN 63 N -4.31 1.86 -2.29 -2.05 3.02 -1.23 -4.71 115.26 105.56 3fex n ASN 63 Ca 0.10 -0.05 -0.19 0.00 -0.03 0.00 0.00 54.58 54.41 3fex n ASN 63 Cb 0.61 0.35 0.02 0.00 -0.61 0.00 0.00 39.78 40.16 3fex n ASN 63 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3fex n TYR 64 N -2.77 2.51 -0.17 3.10 4.01 -0.65 -4.81 117.16 118.38 3fex n TYR 64 Ca -0.28 -2.40 -0.00 0.00 -0.16 0.00 0.00 57.90 55.05 3fex n TYR 64 Cb 0.93 -0.27 0.24 0.00 -0.31 0.00 0.00 39.34 39.93 3fex n TYR 64 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 3fex h LYS 65 N 2.38 0.89 0.00 -0.72 3.64 -1.45 -0.17 116.57 121.14 3fex h LYS 65 Ca 0.24 -0.10 -0.18 0.00 -1.27 0.00 0.00 60.65 59.34 3fex h LYS 65 Cb 1.36 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 32.97 3fex h LYS 65 CO 0.65 0.66 -1.12 1.03 -2.27 0.00 0.00 179.45 178.41 3fex h SER 66 N 0.90 0.00 0.00 4.20 0.87 -1.87 -3.30 113.55 114.35 3fex h SER 66 Ca 0.23 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.66 3fex h SER 66 Cb 0.03 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.00 3fex h SER 66 CO -0.04 0.72 -0.51 0.50 -0.53 0.00 0.00 176.83 176.98 3fex h LYS 67 N 0.00 0.34 -0.41 2.24 1.63 -1.83 -3.12 116.57 115.41 3fex h LYS 67 Ca -0.11 -0.37 0.08 0.00 -0.85 0.00 0.00 60.65 59.40 3fex h LYS 67 Cb 1.64 0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 33.36 3fex h LYS 67 CO 0.08 1.06 0.28 0.82 -3.45 0.00 0.00 179.45 178.24 3fex h ILE 68 N -0.23 0.90 -0.05 2.00 2.04 -1.18 0.37 117.51 121.37 3fex h ILE 68 Ca -0.06 -0.08 -0.12 0.00 1.00 0.00 0.00 64.86 65.60 3fex h ILE 68 Cb 1.24 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.97 3fex h ILE 68 CO 0.10 0.04 -0.53 -0.07 0.00 0.00 0.00 178.15 177.69 3fex h LEU 69 N 0.22 0.15 -0.31 1.44 4.07 -1.63 -2.51 115.31 116.74 3fex h LEU 69 Ca 0.19 -0.08 -0.01 0.00 0.08 0.00 0.00 57.88 58.06 3fex h LEU 69 Cb 0.47 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 42.15 3fex h LEU 69 CO -0.03 0.65 0.16 -0.09 -1.08 0.00 0.00 178.44 178.04 3fex h ARG 70 N 0.11 0.45 -0.30 1.13 2.43 -0.86 -1.75 114.38 115.60 3fex h ARG 70 Ca 0.00 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 59.04 3fex h ARG 70 Cb 0.97 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.43 3fex h ARG 70 CO 0.08 0.41 -0.06 -0.07 -1.51 0.00 0.00 179.97 178.81 3fex h LEU 71 N 0.38 0.57 -0.32 3.80 3.38 -1.44 -1.75 115.31 119.92 3fex h LEU 71 Ca 0.11 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 3fex h LEU 71 Cb 0.10 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3fex h LEU 71 CO -0.01 0.80 0.18 -0.07 0.09 0.00 0.00 178.44 179.42 3fex h LEU 72 N 0.33 0.39 -0.58 1.67 3.38 -1.38 0.46 115.31 119.58 3fex h LEU 72 Ca 0.08 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 3fex h LEU 72 Cb 0.54 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 3fex h LEU 72 CO 0.03 0.36 0.22 0.00 0.09 0.00 0.00 178.44 179.14 3fex h THR 74 N 0.80 0.53 -0.12 0.00 2.02 -0.92 -2.24 112.91 112.97 3fex h THR 74 Ca 0.19 -0.09 0.04 0.00 0.77 0.00 0.00 66.41 67.32 3fex h THR 74 Cb 0.22 0.57 -0.00 0.00 -1.74 0.00 0.00 68.15 67.19 3fex h THR 74 CO -0.01 0.02 0.14 0.58 0.37 0.00 0.00 175.52 176.61 3fex h VAL 75 N -0.69 0.49 0.00 3.16 2.07 -0.03 0.02 116.25 121.26 3fex h VAL 75 Ca -0.07 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.36 3fex h VAL 75 Cb 0.52 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 3fex h VAL 75 CO 0.11 0.00 -0.47 0.00 0.02 0.00 0.00 177.57 177.23 3fex h ALA 76 N 1.84 0.81 0.00 1.67 0.00 -0.56 -2.35 119.26 120.66 3fex h ALA 76 Ca 0.06 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3fex h ALA 76 Cb 0.34 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3fex h ALA 76 CO -0.00 0.59 -1.82 2.89 0.00 0.00 0.00 179.25 180.91 3fex n ARG 77 N -3.38 0.58 -0.05 0.00 1.85 -0.17 -4.47 116.66 111.03 3fex n ARG 77 Ca 0.01 -0.16 0.02 0.00 -1.00 0.00 0.00 57.85 56.71 3fex n ARG 77 Cb 0.63 -1.50 -0.16 0.00 -1.05 0.00 0.00 32.46 30.39 3fex n ARG 77 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 3fex n LEU 78 N -2.12 0.00 -3.25 2.89 4.77 -0.25 -4.72 117.00 114.31 3fex n LEU 78 Ca -0.03 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.70 3fex n LEU 78 Cb 0.52 0.20 -0.07 0.00 -2.33 0.00 0.00 43.42 41.74 3fex n LEU 78 CO 0.44 0.20 -0.01 0.18 -1.33 0.00 0.00 177.39 176.87 3fex n LEU 79 N -2.43 2.91 0.26 2.23 4.77 -0.89 -4.87 117.00 118.99 3fex n LEU 79 Ca -0.15 -5.30 0.17 0.00 -0.03 0.00 0.00 56.01 50.69 3fex n LEU 79 Cb 0.79 -0.25 0.77 0.00 -2.33 0.00 0.00 43.42 42.39 3fex n LEU 79 CO 0.42 2.14 1.00 1.55 -1.33 0.00 0.00 177.39 181.18 3fex h PRO 80 N 3.79 0.00 0.00 3.23 0.13 -1.81 -2.63 132.00 134.71 3fex h PRO 80 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 3fex h PRO 80 Cb 0.70 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.83 3fex h PRO 80 CO 0.73 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.65 3fex n GLU 81 N -2.87 0.72 0.00 0.86 0.00 -1.26 -2.25 120.64 115.84 3fex n GLU 81 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 3fex n GLU 81 Cb 0.22 -1.37 0.00 0.00 0.00 0.00 0.00 31.44 30.28 3fex n GLU 81 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 3fex n LYS 82 N -0.87 -0.35 0.00 3.44 5.02 -0.99 -4.96 118.16 119.44 3fex n LYS 82 Ca 0.13 -0.30 0.00 0.00 -2.02 0.00 0.00 58.31 56.12 3fex n LYS 82 Cb 0.06 -0.75 0.00 0.00 -0.02 0.00 0.00 35.03 34.32 3fex n LYS 82 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 3fex n LEU 83 N -0.02 0.00 -0.13 -0.35 7.94 -0.95 0.84 117.00 124.34 3fex n LEU 83 Ca 0.00 0.00 -0.05 0.00 -1.11 0.00 0.00 56.01 54.85 3fex n LEU 83 Cb 0.15 0.00 0.02 0.00 0.53 0.00 0.00 43.42 44.11 3fex n LEU 83 CO 0.00 0.00 0.77 0.71 -1.11 0.00 0.00 177.39 177.76 3fex h THR 84 N 0.00 0.54 -1.13 1.96 1.35 -1.87 -0.16 112.91 113.60 3fex h THR 84 Ca 0.00 0.00 0.32 0.00 -0.55 0.00 0.00 66.41 66.18 3fex h THR 84 Cb 0.00 0.54 -0.10 0.00 -1.73 0.00 0.00 68.15 66.86 3fex h THR 84 CO 0.00 0.00 0.74 0.40 -0.25 0.00 0.00 175.52 176.41 3fex h ILE 85 N -0.03 0.40 0.00 6.82 2.04 0.14 -0.43 117.51 126.45 3fex h ILE 85 Ca 0.20 -0.09 -0.26 0.00 1.00 0.00 0.00 64.86 65.71 3fex h ILE 85 Cb 0.34 0.10 -0.05 0.00 -0.74 0.00 0.00 36.82 36.47 3fex h ILE 85 CO -0.45 0.05 -1.83 -1.22 0.00 0.00 0.00 178.15 174.70 3fex n TYR 86 N -4.60 0.67 0.31 1.37 4.01 -0.38 -3.14 117.16 115.40 3fex n TYR 86 Ca 0.29 0.23 0.20 0.00 -0.16 0.00 0.00 57.90 58.46 3fex n TYR 86 Cb 1.07 -1.07 0.98 0.00 -0.31 0.00 0.00 39.34 40.01 3fex n TYR 86 CO 0.00 0.00 0.00 1.79 -0.46 0.00 0.00 176.86 178.19 3fex h THR 87 N 0.00 0.00 0.00 -0.72 1.35 0.51 -1.67 112.91 112.39 3fex h THR 87 Ca -0.31 -0.16 -0.12 0.00 -0.55 0.00 0.00 66.41 65.28 3fex h THR 87 Cb 1.91 1.09 -0.02 0.00 -1.73 0.00 0.00 68.15 69.40 3fex h THR 87 CO 0.05 0.00 -0.65 0.74 -0.25 0.00 0.00 175.52 175.41 3fex h THR 88 N 0.00 1.31 -0.40 6.82 2.02 -1.36 -2.58 112.91 118.73 3fex h THR 88 Ca 0.00 -2.23 0.11 0.00 0.77 0.00 0.00 66.41 65.06 3fex h THR 88 Cb 0.16 2.72 -0.02 0.00 -1.74 0.00 0.00 68.15 69.28 3fex h THR 88 CO 0.00 0.44 0.36 0.25 0.37 0.00 0.00 175.52 176.94 3fex h LEU 89 N -1.00 0.00 0.21 2.58 5.85 -1.41 0.16 115.31 121.71 3fex h LEU 89 Ca -0.18 0.00 -0.33 0.00 0.84 0.00 0.00 57.88 58.21 3fex h LEU 89 Cb 1.14 0.00 0.02 0.00 0.37 0.00 0.00 40.66 42.19 3fex h LEU 89 CO -0.11 0.00 -1.57 0.58 -0.34 0.00 0.00 178.44 177.00 3fex h VAL 90 N 0.00 1.11 -0.16 1.05 2.07 -1.43 -3.03 116.25 115.86 3fex h VAL 90 Ca 0.19 -2.58 0.02 0.00 0.82 0.00 0.00 66.70 65.15 3fex h VAL 90 Cb 0.90 2.90 -0.01 0.00 -1.52 0.00 0.00 31.29 33.56 3fex h VAL 90 CO -0.00 0.82 0.11 1.23 0.02 0.00 0.00 177.57 179.75 3fex h GLY 91 N 0.35 0.14 0.62 2.17 0.00 -0.36 0.10 103.07 106.08 3fex h GLY 91 Ca -0.30 -0.05 -0.12 0.00 0.00 0.00 0.00 47.33 46.87 3fex h GLY 91 CO 0.21 0.04 -0.46 1.41 0.00 0.00 0.00 176.54 177.74 3fex h LEU 92 N 0.12 0.39 -2.28 3.11 4.07 -1.00 -0.79 115.31 118.94 3fex h LEU 92 Ca 0.07 -0.79 0.00 0.00 0.08 0.00 0.00 57.88 57.24 3fex h LEU 92 Cb 0.12 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 41.74 3fex h LEU 92 CO -0.01 1.13 0.00 -0.07 -1.08 0.00 0.00 178.44 178.41 3fex h LEU 93 N -0.31 0.00 0.00 1.67 4.07 -1.29 0.48 115.31 119.93 3fex h LEU 93 Ca -0.06 0.00 -0.19 0.00 0.08 0.00 0.00 57.88 57.71 3fex h LEU 93 Cb 1.21 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.92 3fex h LEU 93 CO 0.09 0.00 -1.47 -3.20 -1.08 0.00 0.00 178.44 172.78 3fex n ASN 94 N -2.76 0.86 0.20 -0.43 4.05 0.30 -2.11 115.26 115.37 3fex n ASN 94 Ca -0.02 0.38 0.09 0.00 0.45 0.00 0.00 54.58 55.48 3fex n ASN 94 Cb 0.08 0.13 0.15 0.00 1.23 0.00 0.00 39.78 41.36 3fex n ASN 94 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3fex h ALA 95 N 1.35 0.90 0.00 5.20 0.00 0.58 -3.35 119.26 123.94 3fex h ALA 95 Ca -0.19 -0.15 -0.33 0.00 0.00 0.00 0.00 54.91 54.25 3fex h ALA 95 Cb 1.66 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 19.37 3fex h ALA 95 CO 0.05 0.20 -2.24 0.54 0.00 0.00 0.00 179.25 177.80 3fex n ARG 96 N -3.15 0.59 -4.09 0.00 1.74 -0.56 -4.76 116.66 106.43 3fex n ARG 96 Ca 0.03 0.12 -0.29 0.00 -0.77 0.00 0.00 57.85 56.94 3fex n ARG 96 Cb 0.58 -1.44 -0.17 0.00 -1.02 0.00 0.00 32.46 30.42 3fex n ARG 96 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3fex s ASN 97 N -6.07 2.51 -0.15 0.55 3.84 -0.90 -5.03 114.94 109.69 3fex s ASN 97 Ca -0.28 -0.43 -0.25 0.00 0.21 0.00 0.00 52.86 52.10 3fex s ASN 97 Cb 0.07 -1.08 -0.23 0.00 -0.55 0.00 0.00 41.25 39.47 3fex s ASN 97 CO 0.52 -0.05 0.61 0.22 -2.79 0.00 0.00 177.10 175.60 3fex h TYR 98 N 7.94 0.00 0.00 0.43 3.20 -1.79 -3.30 116.97 123.44 3fex h TYR 98 Ca -0.35 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.52 3fex h TYR 98 Cb 1.14 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.41 3fex h TYR 98 CO 0.47 0.98 0.18 -0.91 -1.64 0.00 0.00 178.16 177.24 3fex h ASN 99 N -1.00 0.00 0.01 -2.11 2.35 -1.93 -0.69 115.58 112.21 3fex h ASN 99 Ca -0.05 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.60 3fex h ASN 99 Cb 0.96 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.34 3fex h ASN 99 CO -0.03 0.00 -0.40 0.15 -1.65 0.00 0.00 177.43 175.50 3fex h PHE 100 N 0.00 0.39 -0.60 1.19 3.57 -1.86 -2.54 116.94 117.10 3fex h PHE 100 Ca 0.00 -0.22 -0.01 0.00 3.53 0.00 0.00 57.97 61.27 3fex h PHE 100 Cb 0.35 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.02 3fex h PHE 100 CO 0.00 1.04 0.33 0.78 -2.23 0.00 0.00 178.31 178.22 3fex h GLY 101 N -0.36 0.88 1.61 2.40 0.00 -1.21 -1.70 103.07 104.68 3fex h GLY 101 Ca -0.05 -0.38 -0.16 0.00 0.00 0.00 0.00 47.33 46.74 3fex h GLY 101 CO 0.08 0.36 -0.63 -1.33 0.00 0.00 0.00 176.54 175.02 3fex h GLY 102 N 0.89 0.44 1.31 4.60 0.00 -1.57 -1.19 103.07 107.55 3fex h GLY 102 Ca 0.21 -0.56 0.00 0.00 0.00 0.00 0.00 47.33 46.98 3fex h GLY 102 CO -0.03 0.50 0.00 -2.21 0.00 0.00 0.00 176.54 174.79 3fex n GLU 103 N -3.89 0.54 -0.12 4.80 2.13 -0.82 -2.15 120.64 121.13 3fex n GLU 103 Ca -0.03 0.03 -0.24 0.00 0.66 0.00 0.00 57.16 57.58 3fex n GLU 103 Cb 0.64 -1.50 -0.09 0.00 0.27 0.00 0.00 31.44 30.76 3fex n GLU 103 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 3fex n PHE 104 N -1.16 0.00 -0.27 4.31 7.35 -0.70 -3.79 117.46 123.20 3fex n PHE 104 Ca 0.15 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 56.81 3fex n PHE 104 Cb 0.14 -0.86 0.08 0.00 0.35 0.00 0.00 39.48 39.19 3fex n PHE 104 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 3fex h VAL 105 N -0.66 1.12 -0.11 -2.13 2.07 -1.24 0.35 116.25 115.65 3fex h VAL 105 Ca -0.59 -0.32 -0.03 0.00 0.82 0.00 0.00 66.70 66.58 3fex h VAL 105 Cb 1.59 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 3fex h VAL 105 CO -0.30 0.17 -0.05 -0.08 0.02 0.00 0.00 177.57 177.33 3fex h GLU 106 N 0.94 0.15 0.09 1.57 4.81 -1.66 -1.72 114.58 118.76 3fex h GLU 106 Ca 0.30 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.50 3fex h GLU 106 Cb -0.01 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.35 3fex h GLU 106 CO -0.10 0.22 -0.04 0.00 -0.73 0.00 0.00 179.01 178.35 3fex h ALA 107 N 1.80 -0.12 0.07 2.92 0.00 -1.11 -3.01 119.26 119.80 3fex h ALA 107 Ca 0.04 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.70 3fex h ALA 107 Cb 0.19 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 3fex h ALA 107 CO 0.01 -0.21 -0.40 0.52 0.00 0.00 0.00 179.25 179.17 3fex h MET 108 N -0.84 -0.58 -0.85 0.00 2.86 -0.30 0.17 114.93 115.40 3fex h MET 108 Ca -0.01 0.04 0.22 0.00 -2.06 0.00 0.00 59.70 57.88 3fex h MET 108 Cb 0.58 0.13 -0.14 0.00 0.06 0.00 0.00 31.60 32.24 3fex h MET 108 CO 0.02 -0.38 0.21 0.82 1.06 0.00 0.00 176.91 178.64 3fex h ILE 109 N -0.60 0.35 -0.19 -1.22 1.08 -1.44 0.45 117.51 115.93 3fex h ILE 109 Ca 0.04 -0.07 -0.07 0.00 -0.39 0.00 0.00 64.86 64.36 3fex h ILE 109 Cb 0.65 0.12 -0.00 0.00 -3.07 0.00 0.00 36.82 34.51 3fex h ILE 109 CO -0.26 0.04 -0.16 -0.09 -0.69 0.00 0.00 178.15 176.98 3fex h ARG 110 N 0.21 0.45 -0.94 2.37 2.43 -1.22 -2.10 114.38 115.59 3fex h ARG 110 Ca 0.52 -0.23 0.05 0.00 -0.81 0.00 0.00 59.98 59.51 3fex h ARG 110 Cb 1.01 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.51 3fex h ARG 110 CO -0.63 0.79 0.62 0.37 -1.51 0.00 0.00 179.97 179.60 3fex h GLN 111 N 0.13 1.11 0.50 0.20 5.75 0.80 -2.77 115.11 120.83 3fex h GLN 111 Ca 0.03 -0.07 -0.02 0.00 -0.15 0.00 0.00 58.65 58.44 3fex h GLN 111 Cb 0.69 -0.25 0.00 0.00 1.07 0.00 0.00 27.48 29.00 3fex h GLN 111 CO 0.04 0.73 -0.24 1.25 -2.65 0.00 0.00 178.83 177.96 3fex h LEU 112 N 1.14 -0.57 -2.22 -2.39 5.85 0.00 -2.63 115.31 114.49 3fex h LEU 112 Ca 0.39 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 59.09 3fex h LEU 112 Cb 0.09 0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.27 3fex h LEU 112 CO -0.13 -0.35 0.23 0.11 -0.34 0.00 0.00 178.44 177.95 3fex h LYS 113 N -0.75 0.00 0.10 1.25 1.57 -1.14 -1.25 116.57 116.35 3fex h LYS 113 Ca -0.07 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3fex h LYS 113 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.87 3fex h LYS 113 CO 0.11 0.00 -0.05 1.49 -0.57 0.00 0.00 179.45 180.44 3fex h GLU 114 N 0.00 -0.13 0.00 3.15 4.81 -1.20 -3.06 114.58 118.15 3fex h GLU 114 Ca 0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3fex h GLU 114 Cb 0.45 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.86 3fex h GLU 114 CO 0.00 0.10 0.00 0.43 -0.73 0.00 0.00 179.01 178.81 3fex n SER 115 N -4.84 0.50 0.14 1.04 7.64 -0.75 -0.95 113.62 116.39 3fex n SER 115 Ca -0.04 0.67 -0.23 0.00 1.01 0.00 0.00 58.87 60.28 3fex n SER 115 Cb 0.14 -0.76 -0.15 0.00 -1.01 0.00 0.00 64.21 62.43 3fex n SER 115 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3fex h LEU 116 N 0.00 0.79 -0.35 -3.43 3.38 -1.35 0.48 115.31 114.83 3fex h LEU 116 Ca 0.00 -0.83 0.00 0.00 0.09 0.00 0.00 57.88 57.14 3fex h LEU 116 Cb 0.19 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.69 3fex h LEU 116 CO 0.00 1.65 -0.12 0.29 0.09 0.00 0.00 178.44 180.34 3fex n LYS 117 N -3.70 0.83 -0.50 1.13 5.02 -0.60 -3.32 118.16 117.02 3fex n LYS 117 Ca -0.15 -0.35 0.08 0.00 -2.02 0.00 0.00 58.31 55.87 3fex n LYS 117 Cb 1.08 -1.49 0.30 0.00 -0.02 0.00 0.00 35.03 34.90 3fex n LYS 117 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3fex n ALA 118 N -0.78 2.91 -3.11 7.82 0.00 -0.12 -4.96 120.51 122.26 3fex n ALA 118 Ca 0.15 -1.67 -0.22 0.00 0.00 0.00 0.00 53.44 51.70 3fex n ALA 118 Cb 0.29 -0.83 0.01 0.00 0.00 0.00 0.00 19.45 18.92 3fex n ALA 118 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3fex n ASN 119 N 0.64 -4.84 -3.38 0.00 3.02 -1.19 -4.89 115.26 104.61 3fex n ASN 119 Ca 0.22 -0.28 -0.36 0.00 -0.03 0.00 0.00 54.58 54.12 3fex n ASN 119 Cb 0.81 -3.96 0.00 0.00 -0.61 0.00 0.00 39.78 36.02 3fex n ASN 119 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3fex n ASN 120 N -2.34 6.46 0.00 6.41 3.02 0.15 -4.85 115.26 124.12 3fex n ASN 120 Ca -0.08 -3.70 0.05 0.00 -0.03 0.00 0.00 54.58 50.82 3fex n ASN 120 Cb 0.59 -0.97 0.21 0.00 -0.61 0.00 0.00 39.78 38.99 3fex n ASN 120 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3fex n TYR 121 N -0.14 0.00 0.02 3.10 4.01 -1.26 -1.55 117.16 121.34 3fex n TYR 121 Ca 0.42 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.95 3fex n TYR 121 Cb 0.31 -0.45 -0.14 0.00 -0.31 0.00 0.00 39.34 38.75 3fex n TYR 121 CO 0.00 0.00 0.00 -0.91 -0.46 0.00 0.00 176.86 175.49 3fex h ASN 122 N 0.00 0.40 0.13 7.72 4.21 -1.92 -3.14 115.58 122.98 3fex h ASN 122 Ca 0.00 -0.87 -0.08 0.00 1.21 0.00 0.00 56.30 56.56 3fex h ASN 122 Cb 0.14 -0.13 -0.01 0.00 -1.12 0.00 0.00 38.32 37.20 3fex h ASN 122 CO 0.00 1.57 -0.27 -0.33 -1.29 0.00 0.00 177.43 177.11 3fex h GLU 123 N -0.32 0.23 -0.00 0.81 5.08 -1.81 -3.18 114.58 115.39 3fex h GLU 123 Ca -0.27 -0.08 0.02 0.00 -1.00 0.00 0.00 59.36 58.04 3fex h GLU 123 Cb 1.73 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.93 3fex h GLU 123 CO 0.08 0.49 -0.15 0.00 -1.00 0.00 0.00 179.01 178.42 3fex h ALA 124 N 1.52 -0.18 -0.66 3.43 0.00 -1.36 -2.24 119.26 119.77 3fex h ALA 124 Ca 0.03 0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.01 3fex h ALA 124 Cb 0.59 0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.59 3fex h ALA 124 CO 0.04 -0.65 0.37 0.28 0.00 0.00 0.00 179.25 179.30 3fex h VAL 125 N -0.25 0.98 -0.79 0.00 2.07 -1.54 -1.87 116.25 114.84 3fex h VAL 125 Ca 0.05 -0.24 0.18 0.00 0.82 0.00 0.00 66.70 67.52 3fex h VAL 125 Cb 0.32 0.23 -0.12 0.00 -1.52 0.00 0.00 31.29 30.20 3fex h VAL 125 CO -0.15 0.13 0.24 1.88 0.02 0.00 0.00 177.57 179.69 3fex h TYR 126 N 0.69 0.38 -0.23 1.57 0.05 -1.39 0.12 116.97 118.16 3fex h TYR 126 Ca 0.29 0.04 -0.17 0.00 0.05 0.00 0.00 58.73 58.94 3fex h TYR 126 Cb 0.17 -0.04 -0.00 0.00 1.01 0.00 0.00 36.73 37.86 3fex h TYR 126 CO -0.08 -0.08 -0.55 -0.07 -1.05 0.00 0.00 178.16 176.33 3fex h LEU 127 N 0.30 0.78 -0.42 3.88 3.38 -1.18 -2.60 115.31 119.46 3fex h LEU 127 Ca 0.46 -0.42 0.02 0.00 0.09 0.00 0.00 57.88 58.03 3fex h LEU 127 Cb 0.83 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 3fex h LEU 127 CO -0.53 1.17 0.25 0.58 0.09 0.00 0.00 178.44 180.01 3fex h VAL 128 N 0.54 1.06 0.00 1.22 2.07 -0.12 -0.98 116.25 120.04 3fex h VAL 128 Ca 0.01 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.35 3fex h VAL 128 Cb 1.13 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 3fex h VAL 128 CO 0.11 0.09 0.00 0.03 0.02 0.00 0.00 177.57 177.83 3fex h ARG 129 N 0.52 0.00 0.01 1.57 3.08 -0.85 -2.77 114.38 115.94 3fex h ARG 129 Ca 0.16 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.21 3fex h ARG 129 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.04 3fex h ARG 129 CO -0.07 0.00 -0.00 0.35 -1.07 0.00 0.00 179.97 179.18 3fex h PHE 130 N 0.00 -0.01 -0.61 3.04 3.04 -0.81 -3.00 116.94 118.60 3fex h PHE 130 Ca 0.00 -0.00 0.12 0.00 3.98 0.00 0.00 57.97 62.07 3fex h PHE 130 Cb 0.41 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 38.89 3fex h PHE 130 CO 0.00 0.84 0.41 -0.07 -2.02 0.00 0.00 178.31 177.48 3fex h LEU 131 N -0.90 0.27 0.68 0.59 3.38 -1.18 -1.92 115.31 116.22 3fex h LEU 131 Ca -0.00 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 3fex h LEU 131 Cb 0.85 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.57 3fex h LEU 131 CO 0.00 0.15 -0.33 0.28 0.09 0.00 0.00 178.44 178.63 3fex h SER 132 N 0.29 -0.78 0.49 -0.43 0.02 -1.51 -2.77 113.55 108.85 3fex h SER 132 Ca 0.29 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.24 3fex h SER 132 Cb 0.74 0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.48 3fex h SER 132 CO -0.07 -0.48 0.00 -0.67 -1.14 0.00 0.00 176.83 174.47 3fex n ASP 133 N -5.44 0.42 0.15 3.07 2.03 -0.99 -0.71 116.55 115.07 3fex n ASP 133 Ca -0.13 0.62 0.13 0.00 0.52 0.00 0.00 54.79 55.93 3fex n ASP 133 Cb 0.38 -0.71 0.49 0.00 -0.72 0.00 0.00 41.12 40.56 3fex n ASP 133 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 3fex h LEU 134 N 0.00 0.00 -0.65 -2.67 3.38 -1.06 -1.75 115.31 112.56 3fex h LEU 134 Ca 0.00 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 3fex h LEU 134 Cb 0.24 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 3fex h LEU 134 CO 0.00 0.00 -0.60 0.58 0.09 0.00 0.00 178.44 178.51 3fex h VAL 135 N 0.00 1.29 -0.01 1.22 2.07 -0.90 -2.11 116.25 117.81 3fex h VAL 135 Ca 0.00 -2.15 0.00 0.00 0.82 0.00 0.00 66.70 65.37 3fex h VAL 135 Cb 0.50 2.21 0.00 0.00 -1.52 0.00 0.00 31.29 32.48 3fex h VAL 135 CO 0.00 0.59 0.00 0.59 0.02 0.00 0.00 177.57 178.77 3fex n ASN 136 N -3.62 0.77 -0.12 0.57 3.02 -0.66 -2.68 115.26 112.54 3fex n ASN 136 Ca -0.01 -2.01 0.01 0.00 -0.03 0.00 0.00 54.58 52.54 3fex n ASN 136 Cb 0.64 -0.35 0.01 0.00 -0.61 0.00 0.00 39.78 39.47 3fex n ASN 136 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3fex n HIS 138 N -0.17 -1.42 -0.01 0.00 8.25 -1.09 -4.85 115.22 115.92 3fex n HIS 138 Ca 0.01 0.17 0.04 0.00 -0.26 0.00 0.00 57.72 57.67 3fex n HIS 138 Cb 0.52 -3.65 -0.13 0.00 1.12 0.00 0.00 29.99 27.84 3fex n HIS 138 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3fex n VAL 139 N -3.94 0.65 -4.18 1.59 0.31 -0.82 -3.57 118.33 108.37 3fex n VAL 139 Ca -0.17 -0.63 -0.18 0.00 -0.01 0.00 0.00 64.34 63.35 3fex n VAL 139 Cb 0.64 -0.29 -0.15 0.00 -0.91 0.00 0.00 33.84 33.12 3fex n VAL 139 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3fex s ILE 140 N -3.12 0.48 0.19 2.52 1.01 -1.19 -1.26 121.20 119.84 3fex s ILE 140 Ca -0.07 -0.20 -0.31 0.00 0.00 0.00 0.00 60.65 60.08 3fex s ILE 140 Cb 0.10 -0.45 -0.09 0.00 0.01 0.00 0.00 42.46 42.03 3fex s ILE 140 CO 0.86 0.17 1.43 0.00 0.00 0.00 0.00 174.94 177.40 3fex s ALA 141 N 0.27 3.64 0.25 9.38 0.00 0.99 -4.53 121.76 131.75 3fex s ALA 141 Ca -0.03 1.25 -0.04 0.00 0.00 0.00 0.00 51.96 53.14 3fex s ALA 141 Cb -0.07 -3.55 0.47 0.00 0.00 0.00 0.00 23.12 19.96 3fex s ALA 141 CO -0.00 -0.68 1.73 0.00 0.00 0.00 0.00 175.76 176.80 3fex h ALA 142 N 5.88 1.07 0.47 0.00 0.00 -1.93 -2.69 119.26 122.06 3fex h ALA 142 Ca -0.44 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 3fex h ALA 142 Cb 1.21 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 3fex h ALA 142 CO 0.83 -0.22 -0.35 -1.35 0.00 0.00 0.00 179.25 178.16 3fex h PRO 143 N 0.43 -0.77 0.00 0.00 0.11 -1.96 -2.08 132.00 127.74 3fex h PRO 143 Ca 0.42 0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.58 3fex h PRO 143 Cb 0.64 0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.93 3fex h PRO 143 CO -0.41 -0.52 0.00 0.66 -0.21 0.00 0.00 178.00 177.52 3fex h SER 144 N -0.80 0.00 0.12 -2.05 4.64 -1.84 0.28 113.55 113.89 3fex h SER 144 Ca -0.05 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.11 3fex h SER 144 Cb 0.68 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.79 3fex h SER 144 CO 0.01 0.00 -0.72 -0.03 -0.87 0.00 0.00 176.83 175.21 3fex h MET 145 N 0.00 0.25 0.00 4.77 -1.53 -1.13 -3.13 114.93 114.15 3fex h MET 145 Ca 0.00 -0.42 -0.06 0.00 -3.44 0.00 0.00 59.70 55.78 3fex h MET 145 Cb 0.00 0.16 -0.01 0.00 -0.55 0.00 0.00 31.60 31.20 3fex h MET 145 CO 0.00 1.20 -0.27 0.28 0.14 0.00 0.00 176.91 178.26 3fex h VAL 146 N -0.47 1.13 -0.98 -5.77 2.07 -0.32 -2.08 116.25 109.82 3fex h VAL 146 Ca -0.13 -0.95 0.03 0.00 0.82 0.00 0.00 66.70 66.47 3fex h VAL 146 Cb 1.55 1.52 -0.06 0.00 -1.52 0.00 0.00 31.29 32.78 3fex h VAL 146 CO 0.12 0.27 0.64 0.00 0.02 0.00 0.00 177.57 178.62 3fex h ALA 147 N 1.73 1.30 0.00 1.67 0.00 -0.60 0.38 119.26 123.73 3fex h ALA 147 Ca -0.00 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 3fex h ALA 147 Cb 0.50 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3fex h ALA 147 CO 0.04 0.54 -0.59 1.98 0.00 0.00 0.00 179.25 181.22 3fex h MET 148 N 1.25 0.00 -0.00 0.00 -1.53 -1.35 -2.82 114.93 110.48 3fex h MET 148 Ca 0.39 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.65 3fex h MET 148 Cb -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.03 3fex h MET 148 CO -0.12 0.59 -0.10 1.19 0.14 0.00 0.00 176.91 178.61 3fex n PHE 149 N -3.67 0.00 0.05 1.39 3.72 -0.28 -2.11 117.46 116.57 3fex n PHE 149 Ca -0.01 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.46 3fex n PHE 149 Cb 0.63 -0.15 -0.06 0.00 -0.94 0.00 0.00 39.48 38.95 3fex n PHE 149 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3fex n GLU 150 N -0.84 0.62 0.00 -1.08 1.02 0.12 -3.59 120.64 116.89 3fex n GLU 150 Ca 0.15 0.10 0.11 0.00 -0.02 0.00 0.00 57.16 57.51 3fex n GLU 150 Cb 0.28 -1.76 0.08 0.00 -0.02 0.00 0.00 31.44 30.02 3fex n GLU 150 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3fex n ASN 151 N -2.69 2.80 -0.09 1.62 3.02 -1.16 -3.05 115.26 115.72 3fex n ASN 151 Ca -0.05 -1.90 -0.18 0.00 -0.03 0.00 0.00 54.58 52.42 3fex n ASN 151 Cb 0.68 0.05 -0.11 0.00 -0.61 0.00 0.00 39.78 39.79 3fex n ASN 151 CO 0.00 0.00 0.00 -0.26 -2.62 0.00 0.00 177.26 174.38 3fex h PHE 152 N 4.25 0.00 0.00 3.10 -1.00 -1.55 -3.37 116.94 118.38 3fex h PHE 152 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 3fex h PHE 152 Cb 0.93 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.49 3fex h PHE 152 CO 0.00 1.21 0.00 0.28 -1.61 0.00 0.00 178.31 178.19 3fex h VAL 153 N -1.00 0.00 -0.11 -0.55 2.07 -1.74 -2.97 116.25 111.95 3fex h VAL 153 Ca -0.22 -0.69 0.02 0.00 0.82 0.00 0.00 66.70 66.63 3fex h VAL 153 Cb 1.12 1.68 -0.01 0.00 -1.52 0.00 0.00 31.29 32.57 3fex h VAL 153 CO -0.13 0.00 0.08 0.77 0.02 0.00 0.00 177.57 178.31 3fex h SER 154 N 0.00 0.06 -0.61 0.57 4.64 -1.69 -2.07 113.55 114.44 3fex h SER 154 Ca 0.00 -0.00 0.14 0.00 -0.47 0.00 0.00 61.79 61.45 3fex h SER 154 Cb 0.70 -0.01 -0.03 0.00 -0.31 0.00 0.00 62.40 62.75 3fex h SER 154 CO 0.00 0.04 0.42 0.58 -0.87 0.00 0.00 176.83 177.00 3fex h VAL 155 N 0.07 0.80 0.00 0.95 2.07 -1.68 -1.22 116.25 117.24 3fex h VAL 155 Ca 0.05 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.49 3fex h VAL 155 Cb 0.12 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 3fex h VAL 155 CO -0.01 0.04 0.03 0.71 0.02 0.00 0.00 177.57 178.36 3fex h THR 156 N 0.24 0.00 -0.39 2.57 1.35 -1.59 0.25 112.91 115.34 3fex h THR 156 Ca 0.29 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.15 3fex h THR 156 Cb 0.82 0.76 0.00 0.00 -1.73 0.00 0.00 68.15 68.00 3fex h THR 156 CO -0.06 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.21 3fex n GLN 157 N -2.71 3.11 0.00 4.72 3.00 -0.46 -5.09 117.38 119.95 3fex n GLN 157 Ca -0.02 -2.54 0.00 0.00 -0.01 0.00 0.00 57.00 54.42 3fex n GLN 157 Cb 0.08 -1.63 0.00 0.00 0.00 0.00 0.00 30.24 28.69 3fex n GLN 157 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 3fex n GLU 158 N 0.29 0.00 0.00 -1.09 1.02 0.07 -5.16 120.64 115.78 3fex n GLU 158 Ca 0.19 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.33 3fex n GLU 158 Cb 0.71 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.13 3fex n GLU 158 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 3fex n VAL 161 N 0.00 0.00 -0.58 2.62 0.24 -1.26 -5.13 118.33 114.22 3fex n VAL 161 Ca 0.00 0.00 -0.30 0.00 -2.04 0.00 0.00 64.34 62.00 3fex n VAL 161 Cb 0.00 0.00 0.21 0.00 -1.47 0.00 0.00 33.84 32.58 3fex n VAL 161 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 3fex n PRO 162 N 0.59 -1.55 0.01 7.34 -0.02 -1.26 -4.98 135.00 135.13 3fex n PRO 162 Ca 0.00 -0.41 -0.19 0.00 -2.02 0.00 0.00 63.50 60.89 3fex n PRO 162 Cb 0.00 -2.19 -0.14 0.00 -0.02 0.00 0.00 33.50 31.15 3fex n PRO 162 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 3fex h GLN 163 N -2.29 0.23 -0.54 -0.52 4.15 -1.96 -3.35 115.11 110.82 3fex h GLN 163 Ca -0.53 -0.38 0.16 0.00 0.77 0.00 0.00 58.65 58.66 3fex h GLN 163 Cb 1.31 0.14 -0.02 0.00 0.21 0.00 0.00 27.48 29.12 3fex h GLN 163 CO 0.44 1.07 0.39 -0.39 -1.93 0.00 0.00 178.83 178.42 3fex h VAL 164 N 0.06 0.72 0.42 2.39 -1.51 -1.90 0.68 116.25 117.11 3fex h VAL 164 Ca -0.37 0.00 -0.02 0.00 -1.23 0.00 0.00 66.70 65.08 3fex h VAL 164 Cb 2.04 0.73 0.00 0.00 -2.13 0.00 0.00 31.29 31.93 3fex h VAL 164 CO 0.10 0.00 -0.20 -0.09 -1.23 0.00 0.00 177.57 176.15 3fex h ARG 165 N 0.00 -0.54 -0.57 5.19 2.43 -1.92 -2.46 114.38 116.51 3fex h ARG 165 Ca 0.26 0.04 0.05 0.00 -0.81 0.00 0.00 59.98 59.52 3fex h ARG 165 Cb 1.04 0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 30.66 3fex h ARG 165 CO -0.00 -0.25 0.30 0.00 -1.51 0.00 0.00 179.97 178.51 3fex h ARG 166 N -0.81 0.55 -0.78 0.20 3.08 -1.44 -2.31 114.38 112.87 3fex h ARG 166 Ca -0.06 -0.03 0.18 0.00 0.07 0.00 0.00 59.98 60.13 3fex h ARG 166 Cb 0.55 -0.12 -0.12 0.00 0.08 0.00 0.00 29.97 30.35 3fex h ARG 166 CO 0.09 0.37 0.21 -0.44 -1.07 0.00 0.00 179.97 179.13 3fex h ASP 167 N 0.57 0.05 0.40 7.04 5.19 -0.82 -2.48 116.42 126.37 3fex h ASP 167 Ca 0.26 0.15 -0.02 0.00 -0.62 0.00 0.00 57.03 56.80 3fex h ASP 167 Cb 0.16 0.20 0.00 0.00 0.18 0.00 0.00 39.33 39.87 3fex h ASP 167 CO -0.17 -0.05 -0.19 -0.25 -3.12 0.00 0.00 179.24 175.46 3fex h TRP 168 N 0.28 -0.50 -0.99 4.55 7.01 -0.92 -1.57 115.95 123.81 3fex h TRP 168 Ca 0.45 -0.01 0.06 0.00 2.11 0.00 0.00 58.89 61.50 3fex h TRP 168 Cb 0.80 0.16 -0.06 0.00 -2.10 0.00 0.00 29.16 27.96 3fex h TRP 168 CO -0.25 -0.23 0.64 1.88 -2.79 0.00 0.00 178.44 177.70 3fex h TYR 169 N -0.69 1.19 -0.24 2.65 0.05 -1.46 0.87 116.97 119.34 3fex h TYR 169 Ca -0.05 0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.72 3fex h TYR 169 Cb 0.49 -0.39 -0.01 0.00 1.01 0.00 0.00 36.73 37.83 3fex h TYR 169 CO -0.01 0.63 -0.00 0.28 -1.05 0.00 0.00 178.16 178.01 3fex h VAL 170 N 1.18 1.15 0.10 -2.88 2.07 -1.35 -1.71 116.25 114.81 3fex h VAL 170 Ca 0.42 -0.60 -0.00 0.00 0.82 0.00 0.00 66.70 67.34 3fex h VAL 170 Cb 0.13 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 3fex h VAL 170 CO -0.16 0.20 -0.05 0.22 0.02 0.00 0.00 177.57 177.81 3fex h TYR 171 N 0.35 -0.12 -0.95 1.57 3.20 0.36 -1.94 116.97 119.45 3fex h TYR 171 Ca 0.08 -0.00 0.27 0.00 3.14 0.00 0.00 58.73 62.22 3fex h TYR 171 Cb 0.24 0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.51 3fex h TYR 171 CO 0.01 0.34 0.68 0.00 -1.64 0.00 0.00 178.16 177.55 3fex h ALA 172 N -0.43 2.90 0.10 1.82 0.00 0.68 0.54 119.26 124.87 3fex h ALA 172 Ca -0.01 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3fex h ALA 172 Cb 0.51 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3fex h ALA 172 CO 0.02 -1.17 -0.05 0.35 0.00 0.00 0.00 179.25 178.41 3fex h PHE 173 N 0.00 -0.12 0.00 0.00 3.57 -1.35 -3.34 116.94 115.70 3fex h PHE 173 Ca 0.45 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.94 3fex h PHE 173 Cb 1.81 0.04 -0.00 0.00 2.79 0.00 0.00 35.95 40.59 3fex h PHE 173 CO -0.00 0.01 -0.04 -0.07 -2.23 0.00 0.00 178.31 175.98 3fex h LEU 174 N -1.03 0.00 -1.21 0.59 3.38 -0.50 -1.96 115.31 114.59 3fex h LEU 174 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3fex h LEU 174 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3fex h LEU 174 CO 0.02 0.04 0.00 0.28 0.09 0.00 0.00 178.44 178.87 3fex h SER 175 N 0.00 0.00 0.47 -0.43 0.02 -0.09 -3.17 113.55 110.36 3fex h SER 175 Ca -0.00 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.74 3fex h SER 175 Cb 0.16 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.67 3fex h SER 175 CO 0.00 0.00 -1.69 -1.20 -1.14 0.00 0.00 176.83 172.80 3fex n SER 176 N -3.05 0.62 -0.28 3.07 7.64 -0.74 -4.38 113.62 116.49 3fex n SER 176 Ca 0.01 0.27 0.13 0.00 1.01 0.00 0.00 58.87 60.29 3fex n SER 176 Cb 0.34 0.47 0.38 0.00 -1.01 0.00 0.00 64.21 64.39 3fex n SER 176 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3fex h LEU 177 N 0.00 0.66 -2.07 -3.43 3.38 -1.57 0.23 115.31 112.51 3fex h LEU 177 Ca -0.24 0.05 0.01 0.00 0.09 0.00 0.00 57.88 57.79 3fex h LEU 177 Cb 1.71 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 42.38 3fex h LEU 177 CO 0.04 0.31 0.31 -0.65 0.09 0.00 0.00 178.44 178.55 3fex h PRO 178 N 0.68 0.00 0.00 1.13 0.11 -1.77 0.38 132.00 132.53 3fex h PRO 178 Ca 0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.58 3fex h PRO 178 Cb 0.79 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.90 3fex h PRO 178 CO -0.23 0.00 -0.90 0.91 -0.21 0.00 0.00 178.00 177.57 3fex n TRP 179 N -2.97 0.00 -0.97 0.65 8.01 0.75 -4.70 117.44 118.21 3fex n TRP 179 Ca -0.01 0.00 0.02 0.00 -1.31 0.00 0.00 57.50 56.20 3fex n TRP 179 Cb 0.37 -0.45 0.36 0.00 -2.01 0.00 0.00 31.31 29.58 3fex n TRP 179 CO 0.00 0.00 0.00 1.55 -1.01 0.00 0.00 177.69 178.23 3fex n VAL 180 N -4.35 2.82 0.08 -0.99 3.14 -0.74 -4.39 118.33 113.89 3fex n VAL 180 Ca -0.13 -1.54 -0.12 0.00 -2.96 0.00 0.00 64.34 59.60 3fex n VAL 180 Cb 0.47 -0.31 -0.13 0.00 -1.06 0.00 0.00 33.84 32.81 3fex n VAL 180 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 3fex h GLY 181 N 3.38 0.18 2.00 7.55 0.00 -0.43 -2.43 103.07 113.31 3fex h GLY 181 Ca 0.10 -0.45 -0.04 0.00 0.00 0.00 0.00 47.33 46.94 3fex h GLY 181 CO 0.57 0.40 -0.20 1.70 0.00 0.00 0.00 176.54 179.01 3fex h LYS 182 N 0.04 0.00 0.00 4.80 3.64 -1.77 -1.90 116.57 121.39 3fex h LYS 182 Ca -0.10 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.19 3fex h LYS 182 Cb 1.90 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.71 3fex h LYS 182 CO 0.17 0.20 -0.56 0.93 -2.27 0.00 0.00 179.45 177.91 3fex h GLU 183 N 0.00 0.00 -0.35 1.90 4.39 -1.86 -3.38 114.58 115.27 3fex h GLU 183 Ca -0.00 0.00 0.07 0.00 0.34 0.00 0.00 59.36 59.77 3fex h GLU 183 Cb 0.71 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.29 3fex h GLU 183 CO 0.03 0.69 -0.10 -0.07 -1.16 0.00 0.00 179.01 178.39 3fex h LEU 184 N -1.00 -0.36 -4.97 1.33 4.07 -1.44 -2.30 115.31 110.64 3fex h LEU 184 Ca -0.13 0.11 -0.59 0.00 0.08 0.00 0.00 57.88 57.34 3fex h LEU 184 Cb 0.89 0.23 -0.05 0.00 1.08 0.00 0.00 40.66 42.81 3fex h LEU 184 CO -0.08 -0.13 2.39 0.00 -1.08 0.00 0.00 178.44 179.54 3fex n TYR 185 N -5.29 1.99 0.00 1.13 9.36 -0.72 -2.59 117.16 121.04 3fex n TYR 185 Ca 0.01 -2.64 0.00 0.00 3.32 0.00 0.00 57.90 58.60 3fex n TYR 185 Cb 0.21 -2.04 0.00 0.00 -0.63 0.00 0.00 39.34 36.87 3fex n TYR 185 CO 0.00 0.00 0.00 -1.91 0.22 0.00 0.00 176.86 175.17 3fex n GLU 186 N 2.59 0.00 0.00 2.98 4.07 -0.87 -4.72 120.64 124.68 3fex n GLU 186 Ca 0.65 0.00 0.09 0.00 -0.06 0.00 0.00 57.16 57.84 3fex n GLU 186 Cb 0.38 -0.10 -0.04 0.00 -0.06 0.00 0.00 31.44 31.62 3fex n GLU 186 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 3fex n LYS 187 N -1.89 1.48 -1.77 5.31 5.02 -1.17 -4.58 118.16 120.56 3fex n LYS 187 Ca 0.00 -0.51 -0.02 0.00 -2.02 0.00 0.00 58.31 55.75 3fex n LYS 187 Cb 0.00 -1.32 0.02 0.00 -0.02 0.00 0.00 35.03 33.70 3fex n LYS 187 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3fex n LYS 188 N -0.63 0.57 0.00 1.97 4.76 -1.07 -4.91 118.16 118.86 3fex n LYS 188 Ca 0.06 -1.63 0.02 0.00 -2.87 0.00 0.00 58.31 53.89 3fex n LYS 188 Cb 0.33 0.08 0.08 0.00 -1.84 0.00 0.00 35.03 33.68 3fex n LYS 188 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 3fex n ASP 189 N -0.35 0.00 0.12 4.39 5.75 -1.24 -1.55 116.55 123.66 3fex n ASP 189 Ca -0.13 0.43 -0.12 0.00 -0.01 0.00 0.00 54.79 54.95 3fex n ASP 189 Cb 0.86 -0.44 -0.08 0.00 -1.03 0.00 0.00 41.12 40.43 3fex n ASP 189 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3fex h ALA 190 N 2.13 -0.33 0.00 2.12 0.00 -1.92 -3.28 119.26 117.99 3fex h ALA 190 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3fex h ALA 190 Cb 0.05 0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3fex h ALA 190 CO 0.00 -0.47 -0.49 -0.85 0.00 0.00 0.00 179.25 177.45 3fex n GLU 191 N -5.05 0.18 0.16 0.00 0.28 -0.85 -3.88 120.64 111.48 3fex n GLU 191 Ca -0.09 0.06 -0.07 0.00 -0.16 0.00 0.00 57.16 56.90 3fex n GLU 191 Cb 0.26 -1.62 -0.04 0.00 1.43 0.00 0.00 31.44 31.47 3fex n GLU 191 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 177.13 177.49 3fex h MET 192 N 0.00 -0.44 -0.58 3.44 2.86 -1.35 0.19 114.93 119.06 3fex h MET 192 Ca 0.00 0.03 0.13 0.00 -2.06 0.00 0.00 59.70 57.80 3fex h MET 192 Cb 0.65 0.10 -0.03 0.00 0.06 0.00 0.00 31.60 32.38 3fex h MET 192 CO 0.00 -0.29 0.40 -0.44 1.06 0.00 0.00 176.91 177.64 3fex h ASP 193 N -0.45 0.17 -0.31 1.22 3.45 -1.72 0.14 116.42 118.91 3fex h ASP 193 Ca -0.04 0.01 -0.11 0.00 0.43 0.00 0.00 57.03 57.32 3fex h ASP 193 Cb 0.37 -0.03 -0.02 0.00 -0.56 0.00 0.00 39.33 39.09 3fex h ASP 193 CO 0.03 0.09 -0.19 -0.09 -1.57 0.00 0.00 179.24 177.52 3fex h ARG 194 N 0.18 0.78 -0.28 3.56 1.12 -1.60 0.62 114.38 118.76 3fex h ARG 194 Ca 0.27 -0.30 -0.18 0.00 -1.11 0.00 0.00 59.98 58.67 3fex h ARG 194 Cb 0.83 -0.04 0.00 0.00 -0.01 0.00 0.00 29.97 30.75 3fex h ARG 194 CO -0.05 0.91 -0.53 0.82 -3.11 0.00 0.00 179.97 178.02 3fex h ILE 195 N 0.69 1.28 0.00 1.20 2.04 0.18 -2.65 117.51 120.25 3fex h ILE 195 Ca 0.10 -1.71 -0.00 0.00 1.00 0.00 0.00 64.86 64.25 3fex h ILE 195 Cb 0.69 1.65 -0.00 0.00 -0.74 0.00 0.00 36.82 38.42 3fex h ILE 195 CO 0.05 0.56 -0.01 -0.26 0.00 0.00 0.00 178.15 178.49 3fex h PHE 196 N 0.63 0.00 0.00 1.37 -1.00 -0.62 0.62 116.94 117.94 3fex h PHE 196 Ca 0.01 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.76 3fex h PHE 196 Cb 1.13 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.69 3fex h PHE 196 CO 0.08 0.01 -0.17 0.00 -1.61 0.00 0.00 178.31 176.62 3fex h ALA 197 N 1.99 1.25 0.00 2.45 0.00 -0.51 0.28 119.26 124.71 3fex h ALA 197 Ca -0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 3fex h ALA 197 Cb 0.02 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 3fex h ALA 197 CO 0.00 0.21 -0.12 -0.91 0.00 0.00 0.00 179.25 178.43 3fex h ASN 198 N 0.00 0.00 -0.77 0.00 4.21 -0.82 -3.27 115.58 114.93 3fex h ASN 198 Ca -0.00 -0.44 0.11 0.00 1.21 0.00 0.00 56.30 57.18 3fex h ASN 198 Cb 0.45 0.00 -0.08 0.00 -1.12 0.00 0.00 38.32 37.58 3fex h ASN 198 CO 0.02 0.79 0.40 0.74 -1.29 0.00 0.00 177.43 178.09 3fex h THR 199 N -1.00 0.83 -0.24 2.81 2.02 -1.20 -2.60 112.91 113.52 3fex h THR 199 Ca -0.02 -0.22 0.04 0.00 0.77 0.00 0.00 66.41 66.98 3fex h THR 199 Cb 0.53 0.13 -0.07 0.00 -1.74 0.00 0.00 68.15 66.99 3fex h THR 199 CO -0.01 0.12 -0.50 -0.08 0.37 0.00 0.00 175.52 175.41 3fex h GLU 200 N 0.64 -0.46 0.07 6.66 4.81 -0.59 -2.42 114.58 123.28 3fex h GLU 200 Ca 0.39 0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.66 3fex h GLU 200 Cb 0.44 0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.91 3fex h GLU 200 CO -0.29 -0.31 -0.11 0.66 -0.73 0.00 0.00 179.01 178.23 3fex h SER 201 N -0.48 -0.30 -0.70 1.04 4.64 -1.53 -2.98 113.55 113.25 3fex h SER 201 Ca 0.07 0.04 0.14 0.00 -0.47 0.00 0.00 61.79 61.57 3fex h SER 201 Cb 0.64 0.11 -0.10 0.00 -0.31 0.00 0.00 62.40 62.74 3fex h SER 201 CO -0.49 -0.17 0.19 0.22 -0.87 0.00 0.00 176.83 175.71 3fex h TYR 202 N -0.22 0.30 -0.77 4.77 3.20 -1.26 0.34 116.97 123.33 3fex h TYR 202 Ca 0.02 0.04 0.06 0.00 3.14 0.00 0.00 58.73 61.99 3fex h TYR 202 Cb 0.24 -0.03 -0.06 0.00 1.54 0.00 0.00 36.73 38.42 3fex h TYR 202 CO -0.14 -0.04 0.46 -0.07 -1.64 0.00 0.00 178.16 176.74 3fex h LEU 203 N 0.30 0.71 -0.53 2.82 3.38 -1.28 0.17 115.31 120.87 3fex h LEU 203 Ca 0.38 0.02 -0.14 0.00 0.09 0.00 0.00 57.88 58.23 3fex h LEU 203 Cb 0.61 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 3fex h LEU 203 CO -0.45 0.46 -0.33 0.11 0.09 0.00 0.00 178.44 178.31 3fex h LYS 204 N 0.84 0.83 -0.03 1.13 1.57 -1.13 -2.92 116.57 116.86 3fex h LYS 204 Ca 0.34 -0.40 -0.06 0.00 -1.87 0.00 0.00 60.65 58.67 3fex h LYS 204 Cb 0.18 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 3fex h LYS 204 CO -0.18 1.03 -0.24 0.00 -0.57 0.00 0.00 179.45 179.50 3fex h ARG 205 N 0.69 0.05 -6.89 3.15 3.08 0.11 -3.45 114.38 111.12 3fex h ARG 205 Ca 0.07 -0.01 -0.54 0.00 0.07 0.00 0.00 59.98 59.57 3fex h ARG 205 Cb 0.88 -0.01 0.20 0.00 0.08 0.00 0.00 29.97 31.13 3fex h ARG 205 CO 0.08 0.29 -0.22 0.54 -1.07 0.00 0.00 179.97 179.59 3fex n ARG 206 N -4.23 0.03 -3.59 0.04 1.74 0.48 -4.97 116.66 106.15 3fex n ARG 206 Ca -0.02 0.07 -0.39 0.00 -0.77 0.00 0.00 57.85 56.74 3fex n ARG 206 Cb 0.31 -2.04 -0.11 0.00 -1.02 0.00 0.00 32.46 29.60 3fex n ARG 206 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3fex s GLN 207 N -3.54 3.57 -0.85 5.56 -0.21 -1.26 -4.99 119.66 117.95 3fex s GLN 207 Ca 0.65 -0.58 -0.03 0.00 0.02 0.00 0.00 55.36 55.42 3fex s GLN 207 Cb -0.28 -3.68 0.20 0.00 1.00 0.00 0.00 33.01 30.25 3fex s GLN 207 CO 0.59 -0.36 2.31 1.63 -2.12 0.00 0.00 175.29 177.34 3fex n LYS 208 N 5.05 3.51 0.05 2.91 4.76 -1.26 -4.62 118.16 128.57 3fex n LYS 208 Ca -0.13 -3.33 -0.09 0.00 -2.87 0.00 0.00 58.31 51.88 3fex n LYS 208 Cb 0.50 -2.34 -0.13 0.00 -1.84 0.00 0.00 35.03 31.23 3fex n LYS 208 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 3fex h THR 209 N 2.16 1.44 0.00 -0.18 2.02 -1.98 -3.32 112.91 113.05 3fex h THR 209 Ca 0.53 -3.16 0.00 0.00 0.77 0.00 0.00 66.41 64.55 3fex h THR 209 Cb 0.37 2.76 0.00 0.00 -1.74 0.00 0.00 68.15 69.53 3fex h THR 209 CO 1.21 0.85 0.00 0.00 0.37 0.00 0.00 175.52 177.95 3fex n HIS 210 N -3.32 0.22 0.00 3.16 -0.00 -1.26 -4.15 115.22 109.87 3fex n HIS 210 Ca -0.06 0.07 -0.10 0.00 -0.00 0.00 0.00 57.72 57.63 3fex n HIS 210 Cb 0.98 -0.61 -0.04 0.00 -0.00 0.00 0.00 29.99 30.33 3fex n HIS 210 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 3fex h VAL 211 N 0.00 0.76 -0.38 0.61 2.07 -1.94 -2.15 116.25 115.21 3fex h VAL 211 Ca 0.00 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.63 3fex h VAL 211 Cb 0.52 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 3fex h VAL 211 CO 0.00 0.00 0.36 -0.65 0.02 0.00 0.00 177.57 177.30 3fex h PRO 212 N -0.09 0.00 0.00 1.57 0.11 -1.85 0.02 132.00 131.76 3fex h PRO 212 Ca 0.07 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 65.88 3fex h PRO 212 Cb 0.20 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.25 3fex h PRO 212 CO -0.17 0.00 -1.76 -0.12 -0.21 0.00 0.00 178.00 175.74 3fex n MET 213 N -3.93 0.64 0.03 1.05 0.00 -0.87 -4.22 117.12 109.82 3fex n MET 213 Ca 0.06 0.28 0.12 0.00 -0.00 0.00 0.00 57.70 58.16 3fex n MET 213 Cb 0.53 -1.77 0.12 0.00 0.00 0.00 0.00 33.22 32.10 3fex n MET 213 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 3fex n LEU 214 N -3.03 0.63 -4.76 -0.89 4.77 -0.63 -4.90 117.00 108.19 3fex n LEU 214 Ca -0.18 0.04 -0.40 0.00 -0.03 0.00 0.00 56.01 55.44 3fex n LEU 214 Cb 1.06 -0.16 -0.04 0.00 -2.33 0.00 0.00 43.42 41.95 3fex n LEU 214 CO 0.45 0.04 0.84 -1.10 -1.33 0.00 0.00 177.39 176.29 3fex s GLN 215 N -3.13 4.57 -0.11 3.23 -0.21 -0.10 -4.53 119.66 119.37 3fex s GLN 215 Ca 0.06 1.90 -0.23 0.00 0.02 0.00 0.00 55.36 57.12 3fex s GLN 215 Cb 0.15 -3.17 -0.20 0.00 1.00 0.00 0.00 33.01 30.79 3fex s GLN 215 CO 0.75 0.10 0.72 0.28 -2.12 0.00 0.00 175.29 175.02 3fex h VAL 216 N 3.14 1.32 -3.34 1.09 2.07 -1.90 -3.45 116.25 115.18 3fex h VAL 216 Ca -0.47 -1.81 -0.64 0.00 0.82 0.00 0.00 66.70 64.60 3fex h VAL 216 Cb 1.21 2.42 -0.21 0.00 -1.52 0.00 0.00 31.29 33.19 3fex h VAL 216 CO 0.67 0.42 -0.66 0.26 0.02 0.00 0.00 177.57 178.29 3fex s TRP 217 N -2.52 3.05 -1.64 1.57 0.51 -1.26 -1.77 118.94 116.88 3fex s TRP 217 Ca -0.15 -0.31 0.29 0.00 -2.12 0.00 0.00 56.10 53.81 3fex s TRP 217 Cb -0.01 -2.01 1.21 0.00 -0.81 0.00 0.00 33.47 31.85 3fex s TRP 217 CO 0.54 -0.08 1.85 0.25 -0.51 0.00 0.00 176.95 179.00 3fex n THR 218 N 3.74 0.00 -1.38 2.01 -2.24 -0.68 -4.57 114.28 111.16 3fex n THR 218 Ca -0.17 -0.06 -0.29 0.00 -2.27 0.00 0.00 64.05 61.26 3fex n THR 218 Cb 0.52 -0.08 0.17 0.00 -2.10 0.00 0.00 70.33 68.84 3fex n THR 218 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fex s ALA 219 N -2.48 1.37 -0.13 6.98 0.00 -1.26 -5.01 121.76 121.22 3fex s ALA 219 Ca 0.28 -0.59 0.11 0.00 0.00 0.00 0.00 51.96 51.77 3fex s ALA 219 Cb 0.20 -3.02 -0.16 0.00 0.00 0.00 0.00 23.12 20.14 3fex s ALA 219 CO 0.48 -2.67 0.05 -0.25 0.00 0.00 0.00 175.76 173.37 3fex n ASP 220 N -4.04 1.82 -4.37 0.00 8.00 -1.26 -4.58 116.55 112.12 3fex n ASP 220 Ca 0.08 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.30 3fex n ASP 220 Cb 0.59 0.82 -0.13 0.00 -0.02 0.00 0.00 41.12 42.38 3fex n ASP 220 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3fex s LYS 221 N -2.32 1.34 -0.03 -1.24 1.02 -1.26 -3.13 119.74 114.13 3fex s LYS 221 Ca -0.06 -1.32 -0.22 0.00 0.02 0.00 0.00 55.97 54.38 3fex s LYS 221 Cb 0.04 -1.77 -0.25 0.00 -0.52 0.00 0.00 37.83 35.33 3fex s LYS 221 CO 0.53 0.41 1.03 -1.35 -0.92 0.00 0.00 175.35 175.05 3fex h PRO 222 N 3.86 0.29 -5.11 -1.68 0.11 -1.99 -3.47 132.00 124.01 3fex h PRO 222 Ca -0.49 -0.34 -0.63 0.00 0.11 0.00 0.00 66.00 64.64 3fex h PRO 222 Cb 1.18 0.10 -0.15 0.00 0.11 0.00 0.00 31.00 32.24 3fex h PRO 222 CO 0.40 1.06 -0.29 -1.01 -0.21 0.00 0.00 178.00 177.95 3fex s HIS 223 N -3.02 3.25 0.39 0.65 3.76 -1.26 -5.07 115.29 113.98 3fex s HIS 223 Ca -0.14 0.36 -0.24 0.00 -0.15 0.00 0.00 55.06 54.89 3fex s HIS 223 Cb 0.02 -2.53 -0.09 0.00 1.11 0.00 0.00 32.58 31.08 3fex s HIS 223 CO 0.79 -0.21 1.01 -2.14 -0.85 0.00 0.00 174.74 173.34 3fex s PRO 224 N 1.98 4.27 -0.71 8.40 0.02 -1.18 -4.82 135.00 142.96 3fex s PRO 224 Ca 0.14 1.40 -0.17 0.00 0.02 0.00 0.00 61.00 62.38 3fex s PRO 224 Cb -0.16 -2.54 0.14 0.00 0.02 0.00 0.00 34.50 31.97 3fex s PRO 224 CO 0.10 -0.02 0.77 -0.65 -0.33 0.00 0.00 177.00 176.87 3fex s GLN 225 N -2.50 3.29 0.44 5.54 -1.52 -1.26 -4.70 119.66 118.94 3fex s GLN 225 Ca 0.57 -1.77 -0.10 0.00 -1.95 0.00 0.00 55.36 52.11 3fex s GLN 225 Cb -0.19 -4.43 -0.06 0.00 -0.22 0.00 0.00 33.01 28.11 3fex s GLN 225 CO 0.24 -1.49 0.81 -1.21 -0.25 0.00 0.00 175.29 173.39 3fex s GLU 226 N 1.84 3.73 0.44 2.91 2.02 -1.25 -4.86 118.70 123.53 3fex s GLU 226 Ca 0.16 0.47 -0.26 0.00 0.02 0.00 0.00 54.97 55.36 3fex s GLU 226 Cb -0.18 -2.35 -0.09 0.00 0.10 0.00 0.00 34.13 31.62 3fex s GLU 226 CO -0.01 -0.12 1.42 -2.00 0.02 0.00 0.00 175.26 174.57 3fex s GLU 227 N -4.12 3.78 0.10 1.61 -6.30 -1.26 -1.38 118.70 111.12 3fex s GLU 227 Ca 0.51 2.42 0.09 0.00 -2.50 0.00 0.00 54.97 55.49 3fex s GLU 227 Cb -0.10 -2.71 0.43 0.00 0.00 0.00 0.00 34.13 31.75 3fex s GLU 227 CO 0.35 -0.74 1.27 2.48 0.02 0.00 0.00 175.26 178.64 3fex n TYR 228 N -0.06 0.24 -0.07 5.30 4.11 -0.84 -1.88 117.16 123.94 3fex n TYR 228 Ca 0.04 0.12 -0.12 0.00 -0.00 0.00 0.00 57.90 57.94 3fex n TYR 228 Cb 0.42 -0.69 -0.04 0.00 -0.00 0.00 0.00 39.34 39.03 3fex n TYR 228 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.86 178.14 3fex n LEU 229 N -1.74 1.66 -0.08 -3.48 4.77 -1.26 -3.89 117.00 112.98 3fex n LEU 229 Ca 0.00 0.28 0.25 0.00 -0.03 0.00 0.00 56.01 56.51 3fex n LEU 229 Cb 0.04 -0.64 0.72 0.00 -2.33 0.00 0.00 43.42 41.21 3fex n LEU 229 CO 0.05 -0.11 1.23 0.44 -1.33 0.00 0.00 177.39 177.68 3fex h ASP 230 N -0.76 0.00 0.24 -1.43 3.32 -1.93 0.30 116.42 116.15 3fex h ASP 230 Ca -0.18 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.85 3fex h ASP 230 Cb 1.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.56 3fex h ASP 230 CO -0.11 0.00 -0.11 0.00 -1.72 0.00 0.00 179.24 177.30 3fex h LEU 232 N -1.00 0.74 -0.07 0.00 5.85 -1.31 -2.20 115.31 117.33 3fex h LEU 232 Ca -0.03 0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.78 3fex h LEU 232 Cb 0.43 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 3fex h LEU 232 CO 0.05 0.35 -0.09 -0.25 -0.34 0.00 0.00 178.44 178.17 3fex h TRP 233 N 0.80 -0.21 -0.21 1.25 2.91 -0.56 -0.32 115.95 119.61 3fex h TRP 233 Ca 0.49 0.01 0.06 0.00 1.13 0.00 0.00 58.89 60.58 3fex h TRP 233 Cb 0.60 0.10 -0.01 0.00 -0.51 0.00 0.00 29.16 29.35 3fex h TRP 233 CO -0.04 -0.13 0.15 0.00 -1.03 0.00 0.00 178.44 177.39 3fex h ALA 234 N 0.93 2.20 -0.19 2.65 0.00 -1.29 -0.80 119.26 122.75 3fex h ALA 234 Ca 0.06 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3fex h ALA 234 Cb 0.20 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3fex h ALA 234 CO -0.14 -0.26 -0.08 1.96 0.00 0.00 0.00 179.25 180.73 3fex h GLN 235 N 0.00 0.39 0.00 0.00 4.20 -0.58 -1.36 115.11 117.77 3fex h GLN 235 Ca 0.10 -0.17 -0.03 0.00 0.06 0.00 0.00 58.65 58.61 3fex h GLN 235 Cb 0.40 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.17 3fex h GLN 235 CO -0.00 0.68 -0.14 0.82 -0.67 0.00 0.00 178.83 179.52 3fex h ILE 236 N 0.09 1.06 0.01 2.54 1.08 -0.18 -1.72 117.51 120.39 3fex h ILE 236 Ca 0.04 -0.48 -0.00 0.00 -0.39 0.00 0.00 64.86 64.03 3fex h ILE 236 Cb 0.56 1.26 0.00 0.00 -3.07 0.00 0.00 36.82 35.57 3fex h ILE 236 CO 0.03 0.14 -0.00 1.56 -0.69 0.00 0.00 178.15 179.18 3fex h GLN 237 N 0.00 -0.01 -0.05 2.37 1.08 -0.94 -0.06 115.11 117.50 3fex h GLN 237 Ca -0.00 0.00 0.02 0.00 -1.45 0.00 0.00 58.65 57.22 3fex h GLN 237 Cb 0.25 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.68 3fex h GLN 237 CO 0.02 0.52 0.09 -0.22 -0.95 0.00 0.00 178.83 178.29 3fex h LYS 238 N -0.54 0.00 0.01 1.46 3.11 -0.97 -0.76 116.57 118.87 3fex h LYS 238 Ca -0.00 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.84 3fex h LYS 238 Cb 0.53 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.76 3fex h LYS 238 CO 0.00 0.00 -0.01 1.25 -2.81 0.00 0.00 179.45 177.89 3fex h LEU 239 N 0.00 -0.01 -1.74 5.20 5.85 -1.09 -2.43 115.31 121.08 3fex h LEU 239 Ca 0.03 -0.51 0.20 0.00 0.84 0.00 0.00 57.88 58.44 3fex h LEU 239 Cb 0.22 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.20 3fex h LEU 239 CO -0.00 0.73 0.56 0.50 -0.34 0.00 0.00 178.44 179.89 3fex h LYS 240 N -0.99 0.22 0.01 1.25 3.64 -0.44 0.88 116.57 121.13 3fex h LYS 240 Ca -0.00 -0.01 -0.24 0.00 -1.27 0.00 0.00 60.65 59.13 3fex h LYS 240 Cb 0.52 -0.05 0.01 0.00 -0.41 0.00 0.00 32.23 32.30 3fex h LYS 240 CO 0.00 0.14 -0.97 -0.22 -2.27 0.00 0.00 179.45 176.13 3fex h LYS 241 N 0.22 0.47 0.00 1.90 3.64 -1.24 -3.02 116.57 118.54 3fex h LYS 241 Ca 0.40 -0.51 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 3fex h LYS 241 Cb 1.24 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 33.21 3fex h LYS 241 CO -0.09 1.16 0.00 -0.25 -2.27 0.00 0.00 179.45 178.00 3fex n ASP 242 N -3.76 0.00 -1.96 4.20 10.43 0.18 -4.81 116.55 120.83 3fex n ASP 242 Ca -0.08 -1.36 -0.10 0.00 2.57 0.00 0.00 54.79 55.82 3fex n ASP 242 Cb 0.85 0.00 0.04 0.00 1.84 0.00 0.00 41.12 43.85 3fex n ASP 242 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 3fex n ARG 243 N -0.53 -3.54 -2.48 -1.24 1.74 -1.02 -3.12 116.66 106.47 3fex n ARG 243 Ca 0.01 0.38 -0.09 0.00 -0.77 0.00 0.00 57.85 57.38 3fex n ARG 243 Cb 0.00 -4.05 -0.00 0.00 -1.02 0.00 0.00 32.46 27.39 3fex n ARG 243 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 3fex n TRP 244 N -3.40 -1.57 -3.61 -1.55 7.02 -0.49 -4.92 117.44 108.92 3fex n TRP 244 Ca -0.02 0.01 -0.37 0.00 -1.02 0.00 0.00 57.50 56.10 3fex n TRP 244 Cb 0.54 -2.32 -0.10 0.00 -2.42 0.00 0.00 31.31 27.01 3fex n TRP 244 CO 0.00 0.00 0.00 -0.65 -2.02 0.00 0.00 177.69 175.02 3fex s GLN 245 N -5.05 4.04 0.18 -0.99 -0.21 -1.18 -4.68 119.66 111.76 3fex s GLN 245 Ca 0.01 -0.24 0.10 0.00 0.02 0.00 0.00 55.36 55.25 3fex s GLN 245 Cb -0.01 -3.58 -0.04 0.00 1.00 0.00 0.00 33.01 30.38 3fex s GLN 245 CO 0.01 -0.04 -0.23 -1.83 -2.12 0.00 0.00 175.29 171.09 3fex s GLU 246 N 1.34 1.42 -0.52 2.91 4.04 -1.26 -4.92 118.70 121.71 3fex s GLU 246 Ca 0.08 -1.46 0.07 0.00 0.04 0.00 0.00 54.97 53.71 3fex s GLU 246 Cb -0.14 -1.68 0.30 0.00 0.02 0.00 0.00 34.13 32.62 3fex s GLU 246 CO 0.07 0.36 0.78 2.89 -1.84 0.00 0.00 175.26 177.52 3fex n ARG 247 N 0.37 2.15 0.08 -4.83 1.85 -1.26 -4.83 116.66 110.18 3fex n ARG 247 Ca -0.13 -4.23 0.00 0.00 -1.00 0.00 0.00 57.85 52.49 3fex n ARG 247 Cb 0.56 -1.96 0.00 0.00 -1.05 0.00 0.00 32.46 30.01 3fex n ARG 247 CO 0.00 0.00 0.00 1.58 -0.01 0.00 0.00 177.63 179.20 3fex n HIS 248 N 0.43 -2.84 -1.68 2.89 -0.00 -1.26 -4.55 115.22 108.20 3fex n HIS 248 Ca 0.28 0.54 -0.55 0.00 0.46 0.00 0.00 57.72 58.45 3fex n HIS 248 Cb 0.48 1.60 -0.07 0.00 -0.12 0.00 0.00 29.99 31.88 3fex n HIS 248 CO 0.00 0.00 0.00 -0.89 0.46 0.00 0.00 176.34 175.91 3fex n ILE 249 N -2.80 0.36 -2.66 3.57 5.41 -1.26 -1.45 119.36 120.53 3fex n ILE 249 Ca 0.00 -0.08 -0.43 0.00 1.00 0.00 0.00 62.75 63.24 3fex n ILE 249 Cb 0.00 -1.39 -0.02 0.00 -0.71 0.00 0.00 39.64 37.52 3fex n ILE 249 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 3fex s LEU 250 N 3.97 3.96 -0.40 1.39 1.43 -1.26 -4.85 118.68 122.93 3fex s LEU 250 Ca 0.98 1.07 -0.01 0.00 -1.03 0.00 0.00 54.13 55.14 3fex s LEU 250 Cb -0.98 -3.52 0.11 0.00 0.03 0.00 0.00 46.19 41.83 3fex s LEU 250 CO 0.62 -0.84 0.17 -0.13 0.23 0.00 0.00 176.35 176.40 3fex s ARG 251 N 3.56 1.89 0.43 1.70 0.52 -1.26 -4.78 118.95 121.01 3fex s ARG 251 Ca 0.45 -1.87 0.18 0.00 -0.52 0.00 0.00 55.73 53.96 3fex s ARG 251 Cb -0.13 -3.49 1.00 0.00 0.52 0.00 0.00 34.95 32.85 3fex s ARG 251 CO 0.14 -1.04 1.93 -1.35 0.02 0.00 0.00 175.30 175.00 3fex h PRO 252 N 7.88 0.00 0.00 3.54 0.11 -1.95 -2.94 132.00 138.64 3fex h PRO 252 Ca -0.10 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.01 3fex h PRO 252 Cb 1.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.14 3fex h PRO 252 CO 0.65 0.25 0.00 2.48 -0.21 0.00 0.00 178.00 181.17 3fex n TYR 253 N -3.99 0.39 1.36 0.65 0.18 -1.26 -0.96 117.16 113.53 3fex n TYR 253 Ca -0.02 0.17 0.13 0.00 1.88 0.00 0.00 57.90 60.06 3fex n TYR 253 Cb 0.32 -0.77 0.70 0.00 -0.38 0.00 0.00 39.34 39.22 3fex n TYR 253 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 3fex n LEU 254 N -1.87 0.00 -0.97 -3.48 4.77 -1.11 -1.94 117.00 112.40 3fex n LEU 254 Ca 0.02 0.22 0.10 0.00 -0.03 0.00 0.00 56.01 56.32 3fex n LEU 254 Cb 0.14 -0.22 0.17 0.00 -2.33 0.00 0.00 43.42 41.18 3fex n LEU 254 CO 0.13 -0.03 0.65 0.00 -1.33 0.00 0.00 177.39 176.81 3fex n ALA 255 N -1.22 2.40 -2.13 -1.18 0.00 -0.13 -4.35 120.51 113.91 3fex n ALA 255 Ca 0.14 -0.92 -0.01 0.00 0.00 0.00 0.00 53.44 52.65 3fex n ALA 255 Cb 0.18 -0.74 0.10 0.00 0.00 0.00 0.00 19.45 18.99 3fex n ALA 255 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3fex n PHE 256 N 1.25 0.67 -0.00 0.00 3.72 -0.82 -4.84 117.46 117.44 3fex n PHE 256 Ca 0.16 -1.42 0.12 0.00 -0.05 0.00 0.00 57.45 56.26 3fex n PHE 256 Cb 0.54 -0.23 0.54 0.00 -0.94 0.00 0.00 39.48 39.39 3fex n PHE 256 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 176.76 176.93 3fex h ASP 257 N 1.44 0.27 0.37 4.37 3.58 -1.75 -2.06 116.42 122.64 3fex h ASP 257 Ca -0.02 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.41 3fex h ASP 257 Cb 1.41 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 42.41 3fex h ASP 257 CO 0.19 0.17 -0.18 0.28 -2.88 0.00 0.00 179.24 176.82 3fex h SER 258 N 0.30 -0.42 -0.97 2.28 0.02 -1.92 -2.63 113.55 110.21 3fex h SER 258 Ca 0.21 0.01 0.05 0.00 -0.84 0.00 0.00 61.79 61.23 3fex h SER 258 Cb 0.45 0.11 -0.06 0.00 0.14 0.00 0.00 62.40 63.04 3fex h SER 258 CO -0.05 -0.24 0.63 0.40 -1.14 0.00 0.00 176.83 176.44 3fex h ILE 259 N -0.63 1.12 0.21 3.27 5.03 -1.91 -3.22 117.51 121.38 3fex h ILE 259 Ca -0.05 -0.40 -0.01 0.00 -0.12 0.00 0.00 64.86 64.28 3fex h ILE 259 Cb 0.38 -0.15 0.00 0.00 -3.03 0.00 0.00 36.82 34.02 3fex h ILE 259 CO 0.08 0.21 -0.10 -0.07 -0.68 0.00 0.00 178.15 177.60 3fex h LEU 260 N 1.17 -0.24 -1.41 1.44 4.07 -1.47 -3.26 115.31 115.60 3fex h LEU 260 Ca 0.40 -0.28 0.33 0.00 0.08 0.00 0.00 57.88 58.41 3fex h LEU 260 Cb 0.10 0.06 -0.10 0.00 1.08 0.00 0.00 40.66 41.80 3fex h LEU 260 CO -0.14 0.26 0.75 0.00 -1.08 0.00 0.00 178.44 178.23 3fex h GLU 262 N 0.26 0.36 -7.21 0.00 4.57 -1.62 -3.45 114.58 107.49 3fex h GLU 262 Ca 0.68 -0.10 -0.53 0.00 -1.18 0.00 0.00 59.36 58.22 3fex h GLU 262 Cb 1.95 -0.04 0.18 0.00 -0.16 0.00 0.00 28.75 30.68 3fex h GLU 262 CO -0.33 0.51 0.34 0.00 -1.18 0.00 0.00 179.01 178.35 3fex s ALA 263 N -5.15 1.82 0.72 2.92 0.00 0.58 -5.03 121.76 117.62 3fex s ALA 263 Ca -0.14 0.84 0.01 0.00 0.00 0.00 0.00 51.96 52.67 3fex s ALA 263 Cb 0.07 -3.49 0.14 0.00 0.00 0.00 0.00 23.12 19.83 3fex s ALA 263 CO 0.73 -2.32 0.96 1.28 0.00 0.00 0.00 175.76 176.41 3fex n LEU 264 N -3.34 0.00 -4.66 0.00 4.77 -1.26 -5.01 117.00 107.50 3fex n LEU 264 Ca 0.13 -2.14 -0.29 0.00 -0.03 0.00 0.00 56.01 53.68 3fex n LEU 264 Cb 0.50 -0.61 -0.10 0.00 -2.33 0.00 0.00 43.42 40.88 3fex n LEU 264 CO 0.48 -0.95 -0.27 -1.10 -1.33 0.00 0.00 177.39 174.22 3fex s GLN 265 N -5.02 2.03 0.49 3.23 -0.21 -1.23 -4.52 119.66 114.42 3fex s GLN 265 Ca 0.65 -2.16 0.02 0.00 0.02 0.00 0.00 55.36 53.88 3fex s GLN 265 Cb -0.04 -1.64 -0.01 0.00 1.00 0.00 0.00 33.01 32.32 3fex s GLN 265 CO 0.43 -0.13 0.05 -1.01 -2.12 0.00 0.00 175.29 172.50 3fex s HIS 266 N -2.74 1.78 0.05 0.91 3.76 -0.39 -4.90 115.29 113.77 3fex s HIS 266 Ca 0.29 -1.10 0.08 0.00 -0.15 0.00 0.00 55.06 54.18 3fex s HIS 266 Cb 0.08 -1.45 -0.03 0.00 1.11 0.00 0.00 32.58 32.29 3fex s HIS 266 CO 0.15 0.03 -0.23 -0.80 -0.85 0.00 0.00 174.74 173.04 3fex s ASN 267 N -3.81 2.80 -0.33 1.40 0.01 -1.26 -0.00 114.94 113.74 3fex s ASN 267 Ca 0.08 -0.58 -0.20 0.00 -0.71 0.00 0.00 52.86 51.46 3fex s ASN 267 Cb 0.01 -0.23 -0.00 0.00 0.41 0.00 0.00 41.25 41.43 3fex s ASN 267 CO 0.05 0.19 0.61 -0.76 -1.51 0.00 0.00 177.10 175.68 3fex s LEU 268 N -1.31 4.22 0.22 0.60 1.43 -1.26 -4.96 118.68 117.61 3fex s LEU 268 Ca 0.09 0.24 -0.32 0.00 -1.03 0.00 0.00 54.13 53.12 3fex s LEU 268 Cb -0.09 -2.76 -0.14 0.00 0.03 0.00 0.00 46.19 43.23 3fex s LEU 268 CO 0.02 -0.52 1.40 -2.65 0.23 0.00 0.00 176.35 174.84 3fex n PRO 269 N 5.91 1.93 -1.39 1.29 -0.02 -1.26 -4.75 135.00 136.71 3fex n PRO 269 Ca -0.02 0.69 -0.50 0.00 -2.02 0.00 0.00 63.50 61.65 3fex n PRO 269 Cb 0.49 -2.34 -0.11 0.00 -0.02 0.00 0.00 33.50 31.51 3fex n PRO 269 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3fex n PRO 270 N 2.19 0.33 -3.08 0.52 -0.02 -1.26 -4.87 135.00 128.81 3fex n PRO 270 Ca 0.13 0.07 -0.40 0.00 -2.02 0.00 0.00 63.50 61.28 3fex n PRO 270 Cb 0.30 -1.87 -0.05 0.00 -0.02 0.00 0.00 33.50 31.86 3fex n PRO 270 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3fex s PHE 271 N 7.66 3.44 -0.29 6.00 2.19 -1.26 -5.04 117.98 130.68 3fex s PHE 271 Ca 1.21 1.05 -0.01 0.00 0.33 0.00 0.00 56.93 59.50 3fex s PHE 271 Cb -1.18 -2.81 0.05 0.00 -1.31 0.00 0.00 43.02 37.76 3fex s PHE 271 CO 0.54 -0.09 -0.02 0.99 1.83 0.00 0.00 175.22 178.46 3fex s THR 272 N 1.57 2.89 0.18 0.12 2.01 -1.26 -4.86 115.64 116.30 3fex s THR 272 Ca 0.32 -1.34 -0.33 0.00 0.31 0.00 0.00 61.69 60.65 3fex s THR 272 Cb -0.16 -2.63 -0.14 0.00 0.01 0.00 0.00 72.50 69.58 3fex s THR 272 CO 0.12 -0.04 1.43 -2.65 -0.69 0.00 0.00 174.62 172.80 3fex n PRO 273 N 4.61 1.87 -1.59 4.92 -0.02 -1.26 -4.84 135.00 138.69 3fex n PRO 273 Ca -0.14 0.67 -0.48 0.00 -2.02 0.00 0.00 63.50 61.53 3fex n PRO 273 Cb 0.44 -2.35 -0.05 0.00 -0.02 0.00 0.00 33.50 31.52 3fex n PRO 273 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3fex n PRO 274 N 2.56 1.78 -1.21 0.52 -0.02 -1.26 -4.89 135.00 132.47 3fex n PRO 274 Ca 0.15 0.57 -0.37 0.00 -2.02 0.00 0.00 63.50 61.83 3fex n PRO 274 Cb 0.28 -2.73 0.05 0.00 -0.02 0.00 0.00 33.50 31.08 3fex n PRO 274 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3fex n PRO 275 N 7.64 0.15 -2.53 0.52 -0.02 -1.26 -4.88 135.00 134.62 3fex n PRO 275 Ca 0.30 0.07 -0.42 0.00 -2.02 0.00 0.00 63.50 61.43 3fex n PRO 275 Cb 0.31 -1.43 -0.03 0.00 -0.02 0.00 0.00 33.50 32.33 3fex n PRO 275 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3fex s HIS 276 N -1.96 3.32 0.39 6.00 5.65 -1.26 -5.04 115.29 122.39 3fex s HIS 276 Ca 0.58 1.35 0.07 0.00 0.25 0.00 0.00 55.06 57.31 3fex s HIS 276 Cb -0.36 -3.34 -0.08 0.00 -1.18 0.00 0.00 32.58 27.62 3fex s HIS 276 CO 0.65 -0.96 -0.00 0.95 -0.65 0.00 0.00 174.74 174.73 3fex s THR 277 N 1.98 1.96 -1.62 0.89 -4.23 -1.26 -5.01 115.64 108.35 3fex s THR 277 Ca 0.54 -2.04 0.00 0.00 -1.18 0.00 0.00 61.69 59.01 3fex s THR 277 Cb -0.23 -2.91 0.00 0.00 1.34 0.00 0.00 72.50 70.70 3fex s THR 277 CO 0.22 -0.04 0.72 1.21 -0.54 0.00 0.00 174.62 176.19 3fex n GLU 278 N -0.91 0.89 -0.04 3.99 2.13 -1.26 -2.76 120.64 122.68 3fex n GLU 278 Ca -0.05 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.75 3fex n GLU 278 Cb 0.66 -1.17 -0.08 0.00 0.27 0.00 0.00 31.44 31.12 3fex n GLU 278 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 3fex n ASP 279 N -0.29 2.50 -4.75 4.31 10.43 -1.26 -5.01 116.55 122.49 3fex n ASP 279 Ca 0.00 0.00 -0.41 0.00 2.57 0.00 0.00 54.79 56.95 3fex n ASP 279 Cb 0.08 0.91 -0.02 0.00 1.84 0.00 0.00 41.12 43.93 3fex n ASP 279 CO 0.00 0.00 0.00 -0.94 -1.07 0.00 0.00 177.20 175.19 3fex s SER 280 N -4.03 6.70 -0.35 -2.24 1.04 -1.11 -5.00 113.70 108.72 3fex s SER 280 Ca -0.05 2.63 0.04 0.00 0.48 0.00 0.00 55.95 59.05 3fex s SER 280 Cb 0.04 -2.62 0.10 0.00 0.10 0.00 0.00 66.02 63.64 3fex s SER 280 CO 0.42 -0.65 0.06 -0.69 0.98 0.00 0.00 173.24 173.36 3fex s VAL 281 N -0.14 2.19 0.47 5.02 1.01 -1.26 -4.95 120.40 122.74 3fex s VAL 281 Ca 0.57 -2.33 -0.14 0.00 0.00 0.00 0.00 61.98 60.08 3fex s VAL 281 Cb -0.41 -2.62 -0.07 0.00 0.00 0.00 0.00 36.38 33.28 3fex s VAL 281 CO 0.44 -0.62 0.90 -0.31 0.00 0.00 0.00 175.10 175.51 3fex s TYR 282 N 0.89 3.46 0.67 5.22 1.51 -1.26 -4.84 117.35 123.00 3fex s TYR 282 Ca 0.11 1.31 -0.17 0.00 -1.01 0.00 0.00 57.07 57.31 3fex s TYR 282 Cb -0.19 -2.66 0.00 0.00 -0.11 0.00 0.00 41.96 39.00 3fex s TYR 282 CO -0.09 -0.26 1.25 -2.14 -1.11 0.00 0.00 175.55 173.20 3fex s PRO 283 N -3.96 2.45 0.20 -1.71 0.02 -1.26 -4.96 135.00 125.77 3fex s PRO 283 Ca 0.56 1.93 -0.24 0.00 0.02 0.00 0.00 61.00 63.26 3fex s PRO 283 Cb -0.10 -1.85 -0.08 0.00 0.02 0.00 0.00 34.50 32.49 3fex s PRO 283 CO 0.31 -1.64 0.79 -1.64 -0.33 0.00 0.00 177.00 174.48 3fex s MET 284 N -3.56 4.50 0.27 5.54 -1.94 -1.26 -4.90 119.30 117.94 3fex s MET 284 Ca 0.79 1.11 -0.30 0.00 -1.71 0.00 0.00 55.69 55.58 3fex s MET 284 Cb -0.34 -3.12 -0.13 0.00 2.01 0.00 0.00 34.83 33.26 3fex s MET 284 CO 0.41 0.50 1.35 -2.30 -0.01 0.00 0.00 175.02 174.97 3fex n PRO 285 N 1.26 2.03 -3.29 2.03 -0.02 -1.26 -5.01 135.00 130.75 3fex n PRO 285 Ca -0.04 0.72 -0.21 0.00 -2.02 0.00 0.00 63.50 61.95 3fex n PRO 285 Cb 0.49 -2.34 0.02 0.00 -0.02 0.00 0.00 33.50 31.65 3fex n PRO 285 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3fex s ARG 286 N -0.91 2.45 -0.20 -0.52 0.52 -1.26 -4.95 118.95 114.08 3fex s ARG 286 Ca 0.64 -1.61 -0.04 0.00 -0.52 0.00 0.00 55.73 54.19 3fex s ARG 286 Cb -0.63 -2.52 0.08 0.00 0.52 0.00 0.00 34.95 32.40 3fex s ARG 286 CO 0.54 -0.57 0.13 0.08 0.02 0.00 0.00 175.30 175.50 3fex s VAL 287 N -2.59 -0.15 -0.24 3.52 1.01 -1.26 -2.00 120.40 118.69 3fex s VAL 287 Ca 0.52 -0.25 -0.37 0.00 0.00 0.00 0.00 61.98 61.88 3fex s VAL 287 Cb -0.05 -0.67 -0.14 0.00 0.00 0.00 0.00 36.38 35.52 3fex s VAL 287 CO 0.32 -0.34 1.89 -0.38 0.00 0.00 0.00 175.10 176.59 3fex n ILE 288 N 5.28 0.36 -2.63 2.22 2.08 -0.48 -4.88 119.36 121.32 3fex n ILE 288 Ca -0.06 -0.11 -0.43 0.00 0.56 0.00 0.00 62.75 62.71 3fex n ILE 288 Cb 0.48 -1.51 -0.02 0.00 -0.75 0.00 0.00 39.64 37.84 3fex n ILE 288 CO 0.00 0.00 0.00 0.12 0.56 0.00 0.00 176.55 177.23 3fex s PHE 289 N 4.56 3.35 -0.04 1.39 5.36 -1.26 -3.75 117.98 127.59 3fex s PHE 289 Ca 0.99 1.45 0.00 0.00 -0.96 0.00 0.00 56.93 58.41 3fex s PHE 289 Cb -0.92 -3.28 0.03 0.00 -0.34 0.00 0.00 43.02 38.51 3fex s PHE 289 CO 0.58 -0.58 -0.00 0.50 -1.46 0.00 0.00 175.22 174.26 3fex s ARG 290 N 2.66 0.37 0.00 10.12 6.06 -1.26 -4.97 118.95 131.93 3fex s ARG 290 Ca 0.48 0.08 0.00 0.00 -2.50 0.00 0.00 55.73 53.78 3fex s ARG 290 Cb -0.18 -0.57 0.00 0.00 0.06 0.00 0.00 34.95 34.26 3fex s ARG 290 CO 0.13 -0.16 0.13 0.00 -2.50 0.00 0.00 175.30 172.90 3fex n MET 291 N 4.29 0.00 -4.49 5.12 0.00 -1.26 -4.78 117.12 116.00 3fex n MET 291 Ca -0.23 -0.13 -0.21 0.00 0.00 0.00 0.00 57.70 57.14 3fex n MET 291 Cb 0.50 -0.32 -0.15 0.00 0.00 0.00 0.00 33.22 33.26 3fex n MET 291 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 175.97 175.91 3fex s PHE 292 N 0.00 1.11 0.32 3.17 0.08 -1.26 -5.01 117.98 116.39 3fex s PHE 292 Ca 0.00 -0.24 0.05 0.00 0.12 0.00 0.00 56.93 56.85 3fex s PHE 292 Cb 0.00 -0.70 -0.03 0.00 -0.57 0.00 0.00 43.02 41.72 3fex s PHE 292 CO 0.00 -0.01 0.20 0.16 -0.10 0.00 0.00 175.22 175.48 3fex s ASP 293 N -0.49 1.62 0.54 1.36 3.84 -1.26 -4.91 116.67 117.37 3fex s ASP 293 Ca 0.04 -1.65 0.21 0.00 -0.00 0.00 0.00 52.55 51.15 3fex s ASP 293 Cb -0.05 0.48 1.45 0.00 -1.38 0.00 0.00 42.92 43.42 3fex s ASP 293 CO -0.00 -0.97 2.16 0.10 -0.00 0.00 0.00 175.17 176.46 3fex h TYR 294 N 2.16 0.00 -0.30 2.11 -0.00 -1.92 -1.90 116.97 117.13 3fex h TYR 294 Ca -0.30 0.00 -0.08 0.00 -0.00 0.00 0.00 58.73 58.34 3fex h TYR 294 Cb 1.25 0.00 -0.02 0.00 -0.00 0.00 0.00 36.73 37.96 3fex h TYR 294 CO 1.32 0.00 -0.17 1.79 -0.00 0.00 0.00 178.16 181.11 3fex h THR 295 N 0.00 1.25 0.00 -0.90 1.35 -1.96 -2.20 112.91 110.44 3fex h THR 295 Ca 0.03 -1.13 -0.00 0.00 -0.55 0.00 0.00 66.41 64.75 3fex h THR 295 Cb 0.12 1.20 -0.00 0.00 -1.73 0.00 0.00 68.15 67.74 3fex h THR 295 CO -0.00 0.37 -0.00 0.44 -0.25 0.00 0.00 175.52 176.08 3fex h ASP 296 N 0.49 0.00 -2.58 5.36 3.32 -1.75 -3.25 116.42 118.01 3fex h ASP 296 Ca 0.08 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.53 3fex h ASP 296 Cb 0.57 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 39.73 3fex h ASP 296 CO 0.04 0.00 -0.84 -0.67 -1.72 0.00 0.00 179.24 176.05 3fex n ASP 297 N -3.20 0.82 0.09 6.45 2.03 -0.83 -4.92 116.55 117.00 3fex n ASP 297 Ca -0.03 -2.70 0.13 0.00 0.52 0.00 0.00 54.79 52.72 3fex n ASP 297 Cb 0.09 -0.63 0.44 0.00 -0.72 0.00 0.00 41.12 40.30 3fex n ASP 297 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 3fex n PRO 298 N 2.42 0.22 0.06 -0.67 -0.02 -1.23 -3.95 135.00 131.84 3fex n PRO 298 Ca 0.26 0.19 -0.22 0.00 -2.02 0.00 0.00 63.50 61.72 3fex n PRO 298 Cb 0.44 -1.76 -0.15 0.00 -0.02 0.00 0.00 33.50 32.01 3fex n PRO 298 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3fex h GLU 299 N 0.00 0.35 0.00 -0.52 5.08 -1.91 -3.48 114.58 114.11 3fex h GLU 299 Ca 0.00 -0.60 0.00 0.00 -1.00 0.00 0.00 59.36 57.76 3fex h GLU 299 Cb 0.69 0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.16 3fex h GLU 299 CO 0.00 1.29 0.00 0.41 -1.00 0.00 0.00 179.01 179.71 3fex n GLY 300 N 1.73 0.99 3.67 -3.84 0.00 -1.25 -5.07 105.19 101.42 3fex n GLY 300 Ca -0.20 -1.95 -0.34 0.00 0.00 0.00 0.00 46.02 43.53 3fex n GLY 300 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3fex n PRO 301 N -0.56 0.37 -2.07 1.61 -0.02 -1.26 -4.92 135.00 128.15 3fex n PRO 301 Ca 0.00 0.19 -0.42 0.00 -2.02 0.00 0.00 63.50 61.25 3fex n PRO 301 Cb 0.00 -2.38 -0.03 0.00 -0.02 0.00 0.00 33.50 31.07 3fex n PRO 301 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3fex s VAL 302 N -1.96 3.09 0.00 -1.45 1.01 -1.26 -4.48 120.40 115.35 3fex s VAL 302 Ca 0.74 0.74 -0.30 0.00 0.00 0.00 0.00 61.98 63.16 3fex s VAL 302 Cb -0.31 -3.48 -0.05 0.00 0.00 0.00 0.00 36.38 32.54 3fex s VAL 302 CO 0.50 0.05 1.25 -0.32 0.00 0.00 0.00 175.10 176.57 3fex s MET 303 N 1.41 4.36 0.18 2.72 1.75 -1.26 -4.78 119.30 123.67 3fex s MET 303 Ca 0.67 1.78 -0.33 0.00 -1.25 0.00 0.00 55.69 56.56 3fex s MET 303 Cb -0.39 -3.48 -0.15 0.00 2.84 0.00 0.00 34.83 33.65 3fex s MET 303 CO 0.30 -0.41 1.28 -2.30 -0.65 0.00 0.00 175.02 173.24 3fex n PRO 304 N 4.78 1.45 -1.07 4.11 -0.02 -1.26 -4.48 135.00 138.52 3fex n PRO 304 Ca 0.11 0.52 -0.35 0.00 -2.02 0.00 0.00 63.50 61.76 3fex n PRO 304 Cb 0.46 -2.10 0.09 0.00 -0.02 0.00 0.00 33.50 31.93 3fex n PRO 304 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fex n GLY 305 N 2.21 -1.77 0.29 -1.23 0.00 -1.26 -4.79 105.19 98.63 3fex n GLY 305 Ca 0.15 -0.54 0.17 0.00 0.00 0.00 0.00 46.02 45.80 3fex n GLY 305 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3fex h SER 306 N -0.86 0.00 -0.02 1.61 0.02 -1.91 -1.25 113.55 111.15 3fex h SER 306 Ca -0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 3fex h SER 306 Cb 1.32 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.86 3fex h SER 306 CO 0.39 0.06 -0.16 1.41 -1.14 0.00 0.00 176.83 177.39 3fex n HIS 307 N -3.31 0.00 -2.28 3.45 8.25 -1.26 -4.93 115.22 115.13 3fex n HIS 307 Ca -0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.03 3fex n HIS 307 Cb 0.23 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.31 3fex n HIS 307 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3fex s SER 308 N -1.84 6.93 0.65 0.41 1.04 -0.47 -3.91 113.70 116.50 3fex s SER 308 Ca 0.20 2.16 0.43 0.00 0.48 0.00 0.00 55.95 59.23 3fex s SER 308 Cb 0.16 -2.58 2.31 0.00 0.10 0.00 0.00 66.02 66.02 3fex s SER 308 CO 0.34 -0.60 2.33 -0.37 0.98 0.00 0.00 173.24 175.91 3fex h VAL 309 N 4.48 0.00 -0.56 5.02 -1.51 -1.87 0.61 116.25 122.43 3fex h VAL 309 Ca -0.41 -0.05 -0.09 0.00 -1.23 0.00 0.00 66.70 64.92 3fex h VAL 309 Cb 1.20 1.04 -0.02 0.00 -2.13 0.00 0.00 31.29 31.38 3fex h VAL 309 CO 0.85 0.00 -0.01 -0.33 -1.23 0.00 0.00 177.57 176.85 3fex h GLU 310 N 0.00 0.97 -0.19 5.19 3.07 -1.91 -2.84 114.58 118.88 3fex h GLU 310 Ca 0.00 -0.30 -0.03 0.00 -0.50 0.00 0.00 59.36 58.53 3fex h GLU 310 Cb 0.05 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 27.86 3fex h GLU 310 CO 0.00 0.97 -0.02 -0.09 -1.40 0.00 0.00 179.01 178.46 3fex h ARG 311 N 0.89 0.28 0.00 2.33 9.65 -1.10 -0.34 114.38 126.09 3fex h ARG 311 Ca 0.16 -0.05 -0.05 0.00 -1.10 0.00 0.00 59.98 58.94 3fex h ARG 311 Cb 0.54 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 29.06 3fex h ARG 311 CO 0.03 0.33 -0.26 0.35 2.80 0.00 0.00 179.97 183.22 3fex h PHE 312 N 0.28 0.00 0.05 2.20 3.57 -1.48 -3.04 116.94 118.52 3fex h PHE 312 Ca 0.06 0.00 -0.24 0.00 3.53 0.00 0.00 57.97 61.33 3fex h PHE 312 Cb 0.23 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.95 3fex h PHE 312 CO 0.00 0.26 -1.27 0.28 -2.23 0.00 0.00 178.31 175.36 3fex h VAL 313 N 0.00 1.01 0.09 1.41 2.07 -1.13 -3.13 116.25 116.56 3fex h VAL 313 Ca -0.00 -2.28 0.02 0.00 0.82 0.00 0.00 66.70 65.25 3fex h VAL 313 Cb 0.60 2.53 -0.05 0.00 -1.52 0.00 0.00 31.29 32.85 3fex h VAL 313 CO 0.03 0.54 -0.51 0.40 0.02 0.00 0.00 177.57 178.05 3fex h ILE 314 N -0.65 0.03 -0.70 4.57 2.04 -1.15 0.15 117.51 121.80 3fex h ILE 314 Ca -0.31 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.63 3fex h ILE 314 Cb 1.50 0.03 -0.06 0.00 -0.74 0.00 0.00 36.82 37.55 3fex h ILE 314 CO -0.07 0.00 0.37 -0.33 0.00 0.00 0.00 178.15 178.12 3fex h GLU 315 N -0.71 0.64 0.28 2.37 5.08 -1.73 -1.52 114.58 118.99 3fex h GLU 315 Ca 0.01 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 3fex h GLU 315 Cb 0.74 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 3fex h GLU 315 CO -0.30 0.42 -0.32 1.49 -1.00 0.00 0.00 179.01 179.31 3fex h GLU 316 N 0.66 -0.58 -0.85 2.33 4.57 -1.21 0.35 114.58 119.85 3fex h GLU 316 Ca 0.33 0.04 0.13 0.00 -1.18 0.00 0.00 59.36 58.68 3fex h GLU 316 Cb 0.28 0.13 -0.09 0.00 -0.16 0.00 0.00 28.75 28.92 3fex h GLU 316 CO -0.23 -0.39 0.46 -0.91 -1.18 0.00 0.00 179.01 176.76 3fex h ASN 317 N -0.60 0.60 -0.49 1.04 2.35 -0.67 -1.08 115.58 116.74 3fex h ASN 317 Ca -0.03 0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.77 3fex h ASN 317 Cb 0.53 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.85 3fex h ASN 317 CO -0.06 0.30 0.25 -0.07 -1.65 0.00 0.00 177.43 176.20 3fex h LEU 318 N 0.70 0.62 -0.20 1.61 3.38 -0.98 0.37 115.31 120.82 3fex h LEU 318 Ca 0.44 -0.11 0.05 0.00 0.09 0.00 0.00 57.88 58.35 3fex h LEU 318 Cb 0.53 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 41.07 3fex h LEU 318 CO -0.31 0.55 -0.17 0.45 0.09 0.00 0.00 178.44 179.05 3fex h HIS 319 N 0.64 -0.43 -0.29 1.13 3.86 0.90 -2.36 115.15 118.61 3fex h HIS 319 Ca 0.17 0.03 -0.09 0.00 -1.16 0.00 0.00 60.37 59.32 3fex h HIS 319 Cb 0.08 0.22 -0.01 0.00 1.06 0.00 0.00 27.41 28.75 3fex h HIS 319 CO -0.01 -0.24 -0.21 0.00 0.86 0.00 0.00 177.93 178.33 3fex h ILE 321 N 0.47 1.18 -0.40 0.00 2.04 -0.55 -0.13 117.51 120.13 3fex h ILE 321 Ca 0.08 -0.42 -0.11 0.00 1.00 0.00 0.00 64.86 65.40 3fex h ILE 321 Cb 0.62 -0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.54 3fex h ILE 321 CO 0.04 0.22 -0.18 0.40 0.00 0.00 0.00 178.15 178.63 3fex h ILE 322 N 1.22 1.28 -0.53 -0.67 2.04 -0.99 -2.83 117.51 117.03 3fex h ILE 322 Ca 0.37 -1.32 0.05 0.00 1.00 0.00 0.00 64.86 64.97 3fex h ILE 322 Cb -0.02 1.27 -0.03 0.00 -0.74 0.00 0.00 36.82 37.30 3fex h ILE 322 CO -0.11 0.44 0.35 0.50 0.00 0.00 0.00 178.15 179.34 3fex h LYS 323 N 0.65 0.49 0.00 2.37 3.64 -0.64 0.29 116.57 123.37 3fex h LYS 323 Ca 0.09 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3fex h LYS 323 Cb 0.74 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 3fex h LYS 323 CO 0.06 0.33 -0.41 0.77 -2.27 0.00 0.00 179.45 177.93 3fex h SER 324 N 0.51 0.00 0.00 4.20 0.02 -0.92 -3.37 113.55 113.98 3fex h SER 324 Ca 0.23 -0.09 -0.12 0.00 -0.84 0.00 0.00 61.79 60.96 3fex h SER 324 Cb 0.26 0.00 -0.26 0.00 0.14 0.00 0.00 62.40 62.53 3fex h SER 324 CO -0.06 0.05 -0.83 1.41 -1.14 0.00 0.00 176.83 176.26 3fex n HIS 325 N -2.38 0.00 0.20 3.45 8.25 -0.95 -4.86 115.22 118.94 3fex n HIS 325 Ca 0.04 -0.36 0.07 0.00 -0.26 0.00 0.00 57.72 57.21 3fex n HIS 325 Cb 0.47 -0.08 0.38 0.00 1.12 0.00 0.00 29.99 31.88 3fex n HIS 325 CO 0.00 0.00 0.00 0.11 0.64 0.00 0.00 176.34 177.09 3fex h TRP 326 N 0.65 0.00 0.00 4.41 5.08 -0.60 -2.66 115.95 122.83 3fex h TRP 326 Ca -0.18 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.79 3fex h TRP 326 Cb 1.72 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.88 3fex h TRP 326 CO 0.13 0.31 0.00 1.63 -1.28 0.00 0.00 178.44 179.23 3fex n LYS 327 N -3.48 0.03 -3.59 0.12 5.02 -1.26 -4.40 118.16 110.60 3fex n LYS 327 Ca -0.00 0.22 -0.28 0.00 -2.02 0.00 0.00 58.31 56.23 3fex n LYS 327 Cb 0.48 -1.50 -0.16 0.00 -0.02 0.00 0.00 35.03 33.83 3fex n LYS 327 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3fex s GLU 328 N -2.95 0.20 0.27 1.97 2.02 -1.00 -5.02 118.70 114.18 3fex s GLU 328 Ca 0.08 -0.38 -0.00 0.00 0.02 0.00 0.00 54.97 54.69 3fex s GLU 328 Cb 0.10 -1.54 0.36 0.00 0.10 0.00 0.00 34.13 33.15 3fex s GLU 328 CO 0.29 -0.85 1.74 0.07 0.02 0.00 0.00 175.26 176.52 3fex h ARG 329 N 8.38 0.67 0.00 1.61 0.11 -1.77 0.17 114.38 123.56 3fex h ARG 329 Ca -0.17 -0.21 0.00 0.00 0.10 0.00 0.00 59.98 59.70 3fex h ARG 329 Cb 1.07 -0.06 0.00 0.00 1.11 0.00 0.00 29.97 32.09 3fex h ARG 329 CO 0.38 0.76 0.00 0.87 0.10 0.00 0.00 179.97 182.08 3fex h LYS 330 N 0.61 0.00 0.00 0.08 1.57 -1.95 -1.84 116.57 115.04 3fex h LYS 330 Ca 0.11 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.56 3fex h LYS 330 Cb 0.55 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.80 3fex h LYS 330 CO 0.03 0.00 -2.32 2.41 -0.57 0.00 0.00 179.45 179.01 3fex n THR 331 N -2.70 1.26 0.18 -0.16 -1.04 -0.98 -3.84 114.28 106.99 3fex n THR 331 Ca 0.02 -0.82 -0.13 0.00 -2.04 0.00 0.00 64.05 61.09 3fex n THR 331 Cb 0.34 -0.44 -0.07 0.00 -1.82 0.00 0.00 70.33 68.34 3fex n THR 331 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3fex h ALA 333 N -0.52 1.61 0.83 0.00 0.00 -1.57 -0.29 119.26 119.33 3fex h ALA 333 Ca -0.05 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 3fex h ALA 333 Cb 0.54 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.10 3fex h ALA 333 CO 0.08 0.31 -0.40 0.00 0.00 0.00 0.00 179.25 179.24 3fex h ALA 334 N 1.59 -1.25 0.00 0.00 0.00 -1.66 -0.75 119.26 117.20 3fex h ALA 334 Ca 0.29 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3fex h ALA 334 Cb 0.09 0.43 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3fex h ALA 334 CO -0.08 -1.16 0.00 1.96 0.00 0.00 0.00 179.25 179.96 3fex h GLN 335 N -1.16 0.00 -0.01 0.00 1.08 -1.28 -2.14 115.11 111.59 3fex h GLN 335 Ca -0.11 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.05 3fex h GLN 335 Cb 0.85 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.29 3fex h GLN 335 CO 0.19 0.00 -0.15 1.25 -0.95 0.00 0.00 178.83 179.17 3fex h LEU 336 N 0.00 0.15 -0.66 1.46 5.85 -0.65 -3.31 115.31 118.14 3fex h LEU 336 Ca 0.00 -0.75 -0.07 0.00 0.84 0.00 0.00 57.88 57.90 3fex h LEU 336 Cb 0.12 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 3fex h LEU 336 CO 0.00 0.88 0.14 0.58 -0.34 0.00 0.00 178.44 179.70 3fex h VAL 337 N -0.57 1.26 -0.56 1.05 2.07 -0.72 -3.23 116.25 115.55 3fex h VAL 337 Ca -0.02 -0.98 -0.68 0.00 0.82 0.00 0.00 66.70 65.84 3fex h VAL 337 Cb 0.89 0.62 -0.05 0.00 -1.52 0.00 0.00 31.29 31.24 3fex h VAL 337 CO 0.03 0.37 2.94 -1.54 0.02 0.00 0.00 177.57 179.40 3fex n SER 338 N -4.26 8.26 -4.71 0.57 3.41 -0.84 -4.92 113.62 111.12 3fex n SER 338 Ca 0.04 -2.85 -0.36 0.00 -0.26 0.00 0.00 58.87 55.44 3fex n SER 338 Cb 0.27 -1.45 -0.08 0.00 -0.26 0.00 0.00 64.21 62.69 3fex n SER 338 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 3fex s TYR 339 N 0.48 3.40 0.00 7.33 5.04 -1.22 -4.91 117.35 127.47 3fex s TYR 339 Ca 0.62 0.41 0.00 0.00 -2.44 0.00 0.00 57.07 55.66 3fex s TYR 339 Cb 0.19 -2.26 0.00 0.00 0.35 0.00 0.00 41.96 40.24 3fex s TYR 339 CO -0.08 0.21 0.00 -2.30 -1.34 0.00 0.00 175.55 172.04 3fex n PRO 340 N 3.75 1.82 0.00 4.97 -0.02 -1.26 -5.10 135.00 139.17 3fex n PRO 340 Ca -0.14 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.34 3fex n PRO 340 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.00 3fex n PRO 340 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fex n GLY 341 N 0.87 4.65 0.19 -1.23 0.00 -1.26 -4.98 105.19 103.42 3fex n GLY 341 Ca 0.00 -1.25 -0.16 0.00 0.00 0.00 0.00 46.02 44.62 3fex n GLY 341 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3fex h LYS 342 N 0.00 0.57 -5.00 1.61 3.64 -1.55 -3.47 116.57 112.37 3fex h LYS 342 Ca 0.00 -0.56 -0.57 0.00 -1.27 0.00 0.00 60.65 58.25 3fex h LYS 342 Cb 0.00 0.15 -0.13 0.00 -0.41 0.00 0.00 32.23 31.83 3fex h LYS 342 CO 0.00 1.18 -0.49 -0.80 -2.27 0.00 0.00 179.45 177.07 3fex s ASN 343 N -7.13 2.75 -0.00 4.20 0.02 -1.26 -4.99 114.94 108.52 3fex s ASN 343 Ca -0.08 -1.75 -0.30 0.00 -1.02 0.00 0.00 52.86 49.71 3fex s ASN 343 Cb 0.08 0.62 -0.04 0.00 0.02 0.00 0.00 41.25 41.93 3fex s ASN 343 CO 0.89 -1.02 1.10 -0.54 0.02 0.00 0.00 177.10 177.55 3fex s LYS 344 N -3.60 4.46 0.04 -0.60 1.02 -1.26 -5.04 119.74 114.76 3fex s LYS 344 Ca 0.25 1.59 0.01 0.00 0.02 0.00 0.00 55.97 57.83 3fex s LYS 344 Cb 0.01 -3.45 -0.03 0.00 -0.52 0.00 0.00 37.83 33.85 3fex s LYS 344 CO 0.17 -0.23 -0.05 0.96 -0.92 0.00 0.00 175.35 175.28 3fex s ILE 345 N 1.37 0.35 -0.84 2.17 -4.36 -1.26 -4.74 121.20 113.89 3fex s ILE 345 Ca 0.55 -1.23 -0.25 0.00 -0.26 0.00 0.00 60.65 59.46 3fex s ILE 345 Cb -0.24 -0.74 -0.07 0.00 1.25 0.00 0.00 42.46 42.65 3fex s ILE 345 CO 0.26 -0.58 2.07 -2.84 0.24 0.00 0.00 174.94 174.09 3fex s PRO 346 N -2.15 2.31 0.22 0.37 0.02 -1.26 -4.78 135.00 129.72 3fex s PRO 346 Ca -0.07 0.02 -0.01 0.00 0.02 0.00 0.00 61.00 60.97 3fex s PRO 346 Cb -0.06 -4.93 0.22 0.00 0.02 0.00 0.00 34.50 29.76 3fex s PRO 346 CO -0.02 -3.60 1.58 1.25 -0.33 0.00 0.00 177.00 175.88 3fex h LEU 347 N 18.99 0.54 -0.24 -5.54 5.85 -1.98 -2.77 115.31 130.16 3fex h LEU 347 Ca 0.04 -0.25 0.04 0.00 0.84 0.00 0.00 57.88 58.54 3fex h LEU 347 Cb 1.02 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.87 3fex h LEU 347 CO 1.16 0.92 0.01 0.78 -0.34 0.00 0.00 178.44 180.97 3fex h ASN 348 N 0.41 -0.06 1.04 1.25 2.35 -1.95 0.53 115.58 119.15 3fex h ASN 348 Ca 0.03 0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 3fex h ASN 348 Cb 0.95 0.08 0.00 0.00 0.05 0.00 0.00 38.32 39.40 3fex h ASN 348 CO 0.08 -0.00 0.00 1.88 -1.65 0.00 0.00 177.43 177.74 3fex h TYR 349 N 0.09 0.00 0.01 1.19 -1.99 -1.94 -1.89 116.97 112.45 3fex h TYR 349 Ca 0.11 0.00 -0.38 0.00 2.00 0.00 0.00 58.73 60.46 3fex h TYR 349 Cb 0.13 0.00 -0.05 0.00 2.00 0.00 0.00 36.73 38.81 3fex h TYR 349 CO -0.18 0.00 -2.11 0.72 -0.00 0.00 0.00 178.16 176.59 3fex n HIS 350 N -2.40 0.41 -0.26 4.88 8.25 -0.98 -2.89 115.22 122.22 3fex n HIS 350 Ca 0.03 0.15 0.18 0.00 -0.26 0.00 0.00 57.72 57.83 3fex n HIS 350 Cb 0.31 -1.04 0.48 0.00 1.12 0.00 0.00 29.99 30.86 3fex n HIS 350 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 3fex h ILE 351 N -0.78 0.68 0.01 1.59 2.04 0.07 0.23 117.51 121.35 3fex h ILE 351 Ca -0.56 -0.16 -0.00 0.00 1.00 0.00 0.00 64.86 65.14 3fex h ILE 351 Cb 1.60 0.17 0.00 0.00 -0.74 0.00 0.00 36.82 37.85 3fex h ILE 351 CO -0.28 0.08 -0.01 0.58 0.00 0.00 0.00 178.15 178.53 3fex h VAL 352 N 0.47 1.52 0.00 1.67 2.07 -1.52 -2.91 116.25 117.54 3fex h VAL 352 Ca 0.49 -1.98 0.00 0.00 0.82 0.00 0.00 66.70 66.03 3fex h VAL 352 Cb 1.14 2.79 0.00 0.00 -1.52 0.00 0.00 31.29 33.70 3fex h VAL 352 CO -0.21 0.49 0.00 -0.08 0.02 0.00 0.00 177.57 177.79 3fex h GLU 353 N -0.92 0.00 0.13 1.57 4.81 -1.28 -1.49 114.58 117.41 3fex h GLU 353 Ca -0.00 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 58.97 3fex h GLU 353 Cb 0.81 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.19 3fex h GLU 353 CO 0.00 0.00 -1.26 0.28 -0.73 0.00 0.00 179.01 177.30 3fex h VAL 354 N 0.00 1.17 -0.74 0.32 2.07 -0.62 -2.51 116.25 115.94 3fex h VAL 354 Ca 0.00 -2.46 -0.05 0.00 0.82 0.00 0.00 66.70 65.01 3fex h VAL 354 Cb 0.12 2.87 -0.03 0.00 -1.52 0.00 0.00 31.29 32.73 3fex h VAL 354 CO 0.00 0.72 0.26 0.40 0.02 0.00 0.00 177.57 178.97 3fex h ILE 355 N -0.29 1.26 0.00 4.57 2.04 -1.12 -1.99 117.51 121.98 3fex h ILE 355 Ca -0.26 -0.85 -0.15 0.00 1.00 0.00 0.00 64.86 64.61 3fex h ILE 355 Cb 1.76 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 38.22 3fex h ILE 355 CO 0.10 0.34 -0.69 -0.26 0.00 0.00 0.00 178.15 177.64 3fex h PHE 356 N 1.09 0.00 0.00 1.37 0.04 -1.45 -1.67 116.94 116.32 3fex h PHE 356 Ca 0.24 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.00 3fex h PHE 356 Cb 0.25 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.40 3fex h PHE 356 CO 0.02 0.69 -0.06 0.00 -0.60 0.00 0.00 178.31 178.36 3fex h ALA 357 N 1.31 1.38 0.02 2.45 0.00 -0.90 -0.43 119.26 123.08 3fex h ALA 357 Ca -0.01 -0.06 -0.32 0.00 0.00 0.00 0.00 54.91 54.52 3fex h ALA 357 Cb 1.25 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.98 3fex h ALA 357 CO 0.09 0.08 -1.79 0.39 0.00 0.00 0.00 179.25 178.01 3fex n GLU 358 N -3.70 0.61 0.23 0.00 1.02 -0.94 -3.12 120.64 114.72 3fex n GLU 358 Ca -0.02 0.42 0.14 0.00 -0.02 0.00 0.00 57.16 57.68 3fex n GLU 358 Cb 0.16 -1.66 0.79 0.00 -0.02 0.00 0.00 31.44 30.71 3fex n GLU 358 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3fex h LEU 359 N -0.75 0.00 -2.20 -4.62 5.85 -1.14 -1.42 115.31 111.03 3fex h LEU 359 Ca -0.47 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.25 3fex h LEU 359 Cb 1.55 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.58 3fex h LEU 359 CO -0.21 0.00 0.00 0.49 -0.34 0.00 0.00 178.44 178.38 3fex n PHE 360 N -4.09 0.30 -2.01 1.25 3.72 -0.19 -4.87 117.46 111.58 3fex n PHE 360 Ca -0.00 -0.25 -0.41 0.00 -0.05 0.00 0.00 57.45 56.73 3fex n PHE 360 Cb 0.22 -0.01 -0.02 0.00 -0.94 0.00 0.00 39.48 38.72 3fex n PHE 360 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 176.76 175.57 3fex s GLN 361 N -1.11 4.27 -0.04 -1.08 0.74 -0.53 -4.87 119.66 117.03 3fex s GLN 361 Ca 0.24 2.30 0.02 0.00 0.05 0.00 0.00 55.36 57.97 3fex s GLN 361 Cb 0.14 -3.12 -0.03 0.00 1.10 0.00 0.00 33.01 31.10 3fex s GLN 361 CO 0.19 -0.43 -0.09 -0.51 -0.55 0.00 0.00 175.29 173.90 3fex s LEU 362 N -0.24 3.04 0.00 3.68 1.43 -1.26 -3.75 118.68 121.58 3fex s LEU 362 Ca 0.60 -0.11 0.00 0.00 -1.03 0.00 0.00 54.13 53.59 3fex s LEU 362 Cb -0.42 -1.68 0.00 0.00 0.03 0.00 0.00 46.19 44.12 3fex s LEU 362 CO 0.42 0.33 0.59 -2.65 0.23 0.00 0.00 176.35 175.28 3fex n PRO 363 N 2.04 0.00 -4.21 1.29 -0.02 -1.26 -4.85 135.00 127.99 3fex n PRO 363 Ca -0.17 0.20 -0.27 0.00 -2.02 0.00 0.00 63.50 61.25 3fex n PRO 363 Cb 0.53 -1.13 -0.08 0.00 -0.02 0.00 0.00 33.50 32.80 3fex n PRO 363 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3fex s ALA 364 N -2.59 3.18 0.84 3.55 0.00 -1.25 -4.90 121.76 120.60 3fex s ALA 364 Ca 0.00 -1.37 -0.10 0.00 0.00 0.00 0.00 51.96 50.48 3fex s ALA 364 Cb 0.00 -0.97 0.10 0.00 0.00 0.00 0.00 23.12 22.25 3fex s ALA 364 CO 0.00 0.48 1.11 -2.14 0.00 0.00 0.00 175.76 175.22 3fex s PRO 365 N -2.93 1.67 0.39 0.00 0.02 -1.25 -4.87 135.00 128.03 3fex s PRO 365 Ca 0.27 1.32 0.28 0.00 0.02 0.00 0.00 61.00 62.90 3fex s PRO 365 Cb -0.09 -1.82 1.22 0.00 0.02 0.00 0.00 34.50 33.83 3fex s PRO 365 CO 0.18 -2.11 1.85 -1.35 -0.33 0.00 0.00 177.00 175.24 3fex h PRO 366 N -1.48 0.00 -4.09 5.54 0.11 -1.94 -3.46 132.00 126.69 3fex h PRO 366 Ca -0.44 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.49 3fex h PRO 366 Cb 1.25 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.25 3fex h PRO 366 CO 0.47 0.00 -0.29 -1.01 -0.21 0.00 0.00 178.00 176.96 3fex s HIS 367 N -3.51 0.83 0.39 0.65 3.76 -1.26 -5.14 115.29 111.01 3fex s HIS 367 Ca 0.02 -1.10 -0.26 0.00 -0.15 0.00 0.00 55.06 53.58 3fex s HIS 367 Cb 0.09 -0.13 -0.11 0.00 1.11 0.00 0.00 32.58 33.55 3fex s HIS 367 CO 0.43 -0.93 1.17 1.51 -0.85 0.00 0.00 174.74 176.07 3fex n ILE 368 N -0.41 2.35 -0.24 0.60 0.13 -1.26 -4.90 119.36 115.63 3fex n ILE 368 Ca 0.00 -0.50 -0.01 0.00 -1.10 0.00 0.00 62.75 61.14 3fex n ILE 368 Cb 0.63 -1.39 0.10 0.00 -0.84 0.00 0.00 39.64 38.15 3fex n ILE 368 CO 0.00 0.00 0.00 0.44 2.80 0.00 0.00 176.55 179.79 3fex h ASP 369 N 2.01 0.60 0.36 9.51 5.19 -1.99 -1.60 116.42 130.50 3fex h ASP 369 Ca -0.46 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 55.98 3fex h ASP 369 Cb 1.31 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 40.73 3fex h ASP 369 CO 0.60 0.39 0.00 0.55 -3.12 0.00 0.00 179.24 177.66 3fex n VAL 370 N -4.76 1.28 -0.13 -1.35 3.14 -1.26 -2.87 118.33 112.38 3fex n VAL 370 Ca 0.09 0.33 -0.10 0.00 -2.96 0.00 0.00 64.34 61.70 3fex n VAL 370 Cb 0.17 -1.16 -0.02 0.00 -1.06 0.00 0.00 33.84 31.77 3fex n VAL 370 CO 0.00 0.00 0.00 -0.03 -6.46 0.00 0.00 176.83 170.34 3fex h MET 371 N 0.00 0.64 0.00 1.45 -1.53 -1.64 -3.05 114.93 110.79 3fex h MET 371 Ca 0.00 -0.18 -0.09 0.00 -3.44 0.00 0.00 59.70 55.99 3fex h MET 371 Cb 0.18 -0.07 -0.01 0.00 -0.55 0.00 0.00 31.60 31.15 3fex h MET 371 CO 0.00 0.71 -0.45 1.88 0.14 0.00 0.00 176.91 179.19 3fex h TYR 372 N 0.48 0.00 -0.66 1.39 0.05 -1.69 -2.79 116.97 113.75 3fex h TYR 372 Ca 0.11 0.00 0.02 0.00 0.05 0.00 0.00 58.73 58.91 3fex h TYR 372 Cb 0.39 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.09 3fex h TYR 372 CO 0.03 0.45 0.42 1.15 -1.05 0.00 0.00 178.16 179.16 3fex h THR 373 N 0.00 1.12 0.12 -2.88 2.02 -1.65 -2.16 112.91 109.49 3fex h THR 373 Ca -0.00 -0.29 -0.28 0.00 0.77 0.00 0.00 66.41 66.61 3fex h THR 373 Cb 1.07 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 3fex h THR 373 CO 0.06 0.15 -1.26 0.71 0.37 0.00 0.00 175.52 175.55 3fex h THR 374 N 0.84 1.47 0.21 3.16 1.35 -1.57 -3.06 112.91 115.31 3fex h THR 374 Ca 0.25 -3.05 -0.00 0.00 -0.55 0.00 0.00 66.41 63.06 3fex h THR 374 Cb -0.04 2.93 -0.01 0.00 -1.73 0.00 0.00 68.15 69.30 3fex h THR 374 CO -0.08 0.89 -0.16 0.25 -0.25 0.00 0.00 175.52 176.17 3fex h LEU 375 N 0.07 -0.42 -1.72 3.87 6.46 -1.33 0.25 115.31 122.49 3fex h LEU 375 Ca -0.14 0.03 -0.00 0.00 -0.12 0.00 0.00 57.88 57.65 3fex h LEU 375 Cb 1.97 0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 42.03 3fex h LEU 375 CO 0.20 -0.25 0.15 -0.07 -0.62 0.00 0.00 178.44 177.84 3fex h LEU 376 N -0.38 0.29 -0.78 2.25 3.38 -1.50 -0.79 115.31 117.77 3fex h LEU 376 Ca -0.01 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.82 3fex h LEU 376 Cb 0.34 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3fex h LEU 376 CO -0.01 0.23 -0.60 0.40 0.09 0.00 0.00 178.44 178.55 3fex h ILE 377 N 0.34 1.42 -0.01 1.22 2.04 -1.24 -2.89 117.51 118.39 3fex h ILE 377 Ca 0.09 -2.03 -0.17 0.00 1.00 0.00 0.00 64.86 63.75 3fex h ILE 377 Cb -0.01 2.08 -0.02 0.00 -0.74 0.00 0.00 36.82 38.14 3fex h ILE 377 CO -0.02 0.58 -0.76 -0.33 0.00 0.00 0.00 178.15 177.63 3fex h GLU 378 N 0.03 0.12 0.00 2.37 4.39 0.85 -2.96 114.58 119.38 3fex h GLU 378 Ca -0.01 -0.11 -0.02 0.00 0.34 0.00 0.00 59.36 59.56 3fex h GLU 378 Cb 1.06 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.74 3fex h GLU 378 CO 0.08 0.82 -0.11 -0.07 -1.16 0.00 0.00 179.01 178.57 3fex h LEU 379 N 0.07 0.00 0.00 1.33 3.38 -1.19 -2.07 115.31 116.83 3fex h LEU 379 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3fex h LEU 379 Cb 1.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.09 3fex h LEU 379 CO 0.11 0.11 -0.15 0.00 0.09 0.00 0.00 178.44 178.60 3fex n LYS 381 N -1.79 0.64 0.06 0.00 5.02 -0.99 -3.63 118.16 117.47 3fex n LYS 381 Ca 0.06 0.14 0.05 0.00 -2.02 0.00 0.00 58.31 56.54 3fex n LYS 381 Cb 0.38 -1.71 -0.06 0.00 -0.02 0.00 0.00 35.03 33.62 3fex n LYS 381 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 3fex n LEU 382 N -2.82 0.77 -3.24 -0.35 7.94 -0.82 -4.39 117.00 114.09 3fex n LEU 382 Ca -0.16 0.32 -0.24 0.00 -1.11 0.00 0.00 56.01 54.81 3fex n LEU 382 Cb 0.93 0.02 -0.07 0.00 0.53 0.00 0.00 43.42 44.84 3fex n LEU 382 CO 0.44 0.00 -0.17 0.00 -1.11 0.00 0.00 177.39 176.55 3fex n GLN 383 N -2.75 1.34 -0.09 1.96 1.13 0.51 -5.01 117.38 114.46 3fex n GLN 383 Ca -0.06 -3.70 -0.06 0.00 -1.94 0.00 0.00 57.00 51.24 3fex n GLN 383 Cb 0.71 -1.58 0.01 0.00 0.11 0.00 0.00 30.24 29.48 3fex n GLN 383 CO 0.00 0.00 0.00 -1.35 -1.44 0.00 0.00 177.06 174.27 3fex h PRO 384 N 3.91 0.07 -1.46 -1.09 0.11 -1.76 -2.48 132.00 129.30 3fex h PRO 384 Ca 0.11 -0.00 -0.65 0.00 0.11 0.00 0.00 66.00 65.57 3fex h PRO 384 Cb 0.81 -0.02 -0.36 0.00 0.11 0.00 0.00 31.00 31.54 3fex h PRO 384 CO 0.58 0.05 -0.03 0.41 -0.21 0.00 0.00 178.00 178.81 3fex n GLY 385 N -1.25 5.92 0.78 -0.55 0.00 -1.26 -4.50 105.19 104.33 3fex n GLY 385 Ca 0.01 -2.61 0.00 0.00 0.00 0.00 0.00 46.02 43.42 3fex n GLY 385 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3fex n SER 386 N -0.59 0.00 -0.02 1.61 3.41 -1.19 -5.00 113.62 111.85 3fex n SER 386 Ca 0.47 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.92 3fex n SER 386 Cb 0.59 0.18 -0.13 0.00 -0.26 0.00 0.00 64.21 64.59 3fex n SER 386 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3fex h LEU 387 N 0.00 0.22 -0.59 1.04 7.12 -1.70 -3.33 115.31 118.07 3fex h LEU 387 Ca 0.00 -0.94 0.12 0.00 0.13 0.00 0.00 57.88 57.19 3fex h LEU 387 Cb 0.00 -0.07 -0.09 0.00 -0.53 0.00 0.00 40.66 39.96 3fex h LEU 387 CO 0.00 1.15 0.06 -0.65 -0.13 0.00 0.00 178.44 178.87 3fex h PRO 388 N -0.66 0.17 -0.98 5.25 0.11 -1.79 0.66 132.00 134.76 3fex h PRO 388 Ca -0.06 -0.01 0.11 0.00 0.11 0.00 0.00 66.00 66.15 3fex h PRO 388 Cb 1.25 -0.04 -0.08 0.00 0.11 0.00 0.00 31.00 32.25 3fex h PRO 388 CO 0.07 0.11 0.62 1.96 -0.21 0.00 0.00 178.00 180.56 3fex h GLN 389 N 0.17 0.97 -0.51 1.05 7.50 -1.90 0.13 115.11 122.51 3fex h GLN 389 Ca 0.31 -0.06 -0.11 0.00 0.50 0.00 0.00 58.65 59.29 3fex h GLN 389 Cb 0.49 -0.22 -0.02 0.00 0.05 0.00 0.00 27.48 27.78 3fex h GLN 389 CO -0.46 0.64 -0.12 0.28 -1.50 0.00 0.00 178.83 177.66 3fex h VAL 390 N 1.00 1.27 -0.11 -0.54 2.07 -1.03 -1.58 116.25 117.32 3fex h VAL 390 Ca 0.47 -1.27 -0.13 0.00 0.82 0.00 0.00 66.70 66.59 3fex h VAL 390 Cb 0.43 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 3fex h VAL 390 CO -0.23 0.44 -0.51 0.25 0.02 0.00 0.00 177.57 177.54 3fex h LEU 391 N 0.86 0.33 0.10 2.57 5.85 -0.03 0.25 115.31 125.24 3fex h LEU 391 Ca 0.13 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 3fex h LEU 391 Cb 0.68 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.61 3fex h LEU 391 CO 0.05 0.79 -0.05 0.00 -0.34 0.00 0.00 178.44 178.88 3fex h ALA 392 N 1.22 -0.14 -0.36 1.25 0.00 -0.58 -1.66 119.26 118.99 3fex h ALA 392 Ca 0.01 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3fex h ALA 392 Cb 0.99 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 3fex h ALA 392 CO 0.08 -0.42 0.23 0.37 0.00 0.00 0.00 179.25 179.51 3fex h GLN 393 N -0.46 0.48 -0.84 0.00 4.15 -1.25 -0.85 115.11 116.34 3fex h GLN 393 Ca -0.01 -0.04 0.18 0.00 0.77 0.00 0.00 58.65 59.55 3fex h GLN 393 Cb 0.38 -0.10 -0.06 0.00 0.21 0.00 0.00 27.48 27.90 3fex h GLN 393 CO 0.02 0.35 0.56 0.00 -1.93 0.00 0.00 178.83 177.83 3fex h ALA 394 N 1.11 2.19 0.08 3.38 0.00 -0.89 0.15 119.26 125.28 3fex h ALA 394 Ca 0.13 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3fex h ALA 394 Cb -0.02 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3fex h ALA 394 CO -0.03 -0.44 -0.04 1.15 0.00 0.00 0.00 179.25 179.90 3fex h THR 395 N 0.40 1.18 -0.86 0.00 2.02 -0.54 -2.21 112.91 112.90 3fex h THR 395 Ca 0.43 -1.26 0.16 0.00 0.77 0.00 0.00 66.41 66.50 3fex h THR 395 Cb 1.05 1.95 -0.10 0.00 -1.74 0.00 0.00 68.15 69.31 3fex h THR 395 CO -0.15 0.29 0.43 -0.08 0.37 0.00 0.00 175.52 176.39 3fex h GLU 396 N -0.72 0.57 -0.40 6.66 4.57 0.09 -0.02 114.58 125.34 3fex h GLU 396 Ca -0.01 -0.03 -0.05 0.00 -1.18 0.00 0.00 59.36 58.09 3fex h GLU 396 Cb 0.57 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 29.01 3fex h GLU 396 CO 0.02 0.38 0.06 0.52 -1.18 0.00 0.00 179.01 178.81 3fex h MET 397 N 0.59 0.66 -0.37 1.92 2.86 -0.79 -2.44 114.93 117.38 3fex h MET 397 Ca 0.48 -0.18 0.04 0.00 -2.06 0.00 0.00 59.70 57.98 3fex h MET 397 Cb 0.72 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 32.27 3fex h MET 397 CO -0.39 0.72 0.14 -0.07 1.06 0.00 0.00 176.91 178.37 3fex h LEU 398 N 0.51 0.16 0.00 1.22 3.38 -0.49 -2.93 115.31 117.17 3fex h LEU 398 Ca 0.12 0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.15 3fex h LEU 398 Cb 0.38 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 3fex h LEU 398 CO 0.01 0.13 -0.14 0.22 0.09 0.00 0.00 178.44 178.75 3fex h TYR 399 N 0.30 -0.35 0.00 1.13 3.20 -0.89 -1.65 116.97 118.71 3fex h TYR 399 Ca 0.16 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.05 3fex h TYR 399 Cb 0.13 0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.55 3fex h TYR 399 CO -0.13 -0.20 0.00 0.52 -1.64 0.00 0.00 178.16 176.70 3fex h MET 400 N -0.23 0.00 -0.37 1.82 2.86 -1.29 -1.35 114.93 116.37 3fex h MET 400 Ca 0.05 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.51 3fex h MET 400 Cb 0.29 0.00 -0.10 0.00 0.06 0.00 0.00 31.60 31.84 3fex h MET 400 CO -0.13 0.00 -0.04 0.54 1.06 0.00 0.00 176.91 178.34 3fex n ARG 401 N -2.49 1.98 0.21 1.72 1.74 -0.63 -4.53 116.66 114.67 3fex n ARG 401 Ca -0.02 -3.13 0.10 0.00 -0.77 0.00 0.00 57.85 54.03 3fex n ARG 401 Cb 0.05 -1.83 0.27 0.00 -1.02 0.00 0.00 32.46 29.92 3fex n ARG 401 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 3fex h LEU 402 N 1.09 0.00 -1.64 0.55 4.07 -1.13 -3.32 115.31 114.93 3fex h LEU 402 Ca 0.21 0.00 0.16 0.00 0.08 0.00 0.00 57.88 58.33 3fex h LEU 402 Cb 1.68 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 43.38 3fex h LEU 402 CO 0.40 0.17 0.50 0.44 -1.08 0.00 0.00 178.44 178.86 3fex h ASP 403 N 0.00 0.33 0.00 -0.43 3.32 -1.82 -2.68 116.42 115.15 3fex h ASP 403 Ca -0.00 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.07 3fex h ASP 403 Cb 0.98 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.48 3fex h ASP 403 CO 0.02 0.17 -0.07 0.35 -1.72 0.00 0.00 179.24 178.00 3fex n THR 404 N -4.46 1.21 -1.02 0.35 -2.24 -1.25 -4.96 114.28 101.91 3fex n THR 404 Ca 0.14 -1.39 -0.20 0.00 -2.27 0.00 0.00 64.05 60.33 3fex n THR 404 Cb 0.56 0.19 0.17 0.00 -2.10 0.00 0.00 70.33 69.15 3fex n THR 404 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 3fex n MET 405 N -0.84 -2.17 -3.96 -0.78 0.00 -1.01 -1.69 117.12 106.67 3fex n MET 405 Ca 0.08 -1.23 -0.35 0.00 0.00 0.00 0.00 57.70 56.20 3fex n MET 405 Cb 0.52 -1.08 -0.14 0.00 0.00 0.00 0.00 33.22 32.51 3fex n MET 405 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 175.97 177.18 3fex s ASN 406 N -3.67 4.18 0.39 6.12 3.84 -0.73 -4.79 114.94 120.28 3fex s ASN 406 Ca 0.49 -0.41 0.22 0.00 0.21 0.00 0.00 52.86 53.37 3fex s ASN 406 Cb -0.04 -1.71 1.26 0.00 -0.55 0.00 0.00 41.25 40.21 3fex s ASN 406 CO 0.37 -0.01 1.65 0.74 -2.79 0.00 0.00 177.10 177.06 3fex h THR 407 N 5.72 0.22 0.57 -5.21 2.02 -1.94 0.49 112.91 114.77 3fex h THR 407 Ca -0.41 -0.07 -0.02 0.00 0.77 0.00 0.00 66.41 66.68 3fex h THR 407 Cb 1.16 0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 67.56 3fex h THR 407 CO 0.61 0.04 -0.50 0.74 0.37 0.00 0.00 175.52 176.77 3fex h THR 408 N 0.19 0.01 -0.83 3.16 2.02 -1.94 -1.50 112.91 114.03 3fex h THR 408 Ca 0.77 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.95 3fex h THR 408 Cb 2.09 0.01 -0.04 0.00 -1.74 0.00 0.00 68.15 68.48 3fex h THR 408 CO -0.51 0.00 0.51 0.00 0.37 0.00 0.00 175.52 175.89 3fex h VAL 410 N 1.14 0.64 0.42 0.00 2.07 0.03 -1.10 116.25 119.45 3fex h VAL 410 Ca 0.30 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.68 3fex h VAL 410 Cb -0.07 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 29.97 3fex h VAL 410 CO -0.06 0.06 -0.20 0.44 0.02 0.00 0.00 177.57 177.83 3fex h ASP 411 N 0.35 -0.48 0.04 0.57 3.32 -0.64 -0.94 116.42 118.63 3fex h ASP 411 Ca 0.48 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.50 3fex h ASP 411 Cb 1.28 0.12 -0.00 0.00 0.22 0.00 0.00 39.33 40.96 3fex h ASP 411 CO -0.16 -0.28 -0.02 0.03 -1.72 0.00 0.00 179.24 177.08 3fex h ARG 412 N -0.65 0.00 -0.16 3.56 -0.00 -1.27 0.13 114.38 115.99 3fex h ARG 412 Ca -0.06 0.00 -0.19 0.00 -0.50 0.00 0.00 59.98 59.23 3fex h ARG 412 Cb 0.48 0.00 0.01 0.00 0.00 0.00 0.00 29.97 30.46 3fex h ARG 412 CO 0.10 0.02 -0.64 0.35 0.00 0.00 0.00 179.97 179.80 3fex h PHE 413 N 0.00 0.96 -0.44 3.04 3.57 -1.08 -0.30 116.94 122.69 3fex h PHE 413 Ca -0.00 -0.40 -0.04 0.00 3.53 0.00 0.00 57.97 61.06 3fex h PHE 413 Cb 0.05 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.61 3fex h PHE 413 CO 0.00 1.22 0.13 0.82 -2.23 0.00 0.00 178.31 178.25 3fex h ILE 414 N 0.43 1.22 0.66 1.41 2.04 0.27 -2.01 117.51 121.53 3fex h ILE 414 Ca -0.03 -0.75 -0.03 0.00 1.00 0.00 0.00 64.86 65.05 3fex h ILE 414 Cb 1.27 0.88 0.01 0.00 -0.74 0.00 0.00 36.82 38.23 3fex h ILE 414 CO 0.13 0.27 -0.32 0.78 0.00 0.00 0.00 178.15 179.01 3fex h ASN 415 N 0.57 -0.75 -0.13 1.72 2.35 -0.80 -2.69 115.58 115.86 3fex h ASN 415 Ca 0.14 -0.00 0.03 0.00 -0.55 0.00 0.00 56.30 55.92 3fex h ASN 415 Cb 0.27 0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.81 3fex h ASN 415 CO -0.00 -0.47 -0.06 -0.25 -1.65 0.00 0.00 177.43 175.00 3fex h TRP 416 N -0.99 -0.13 -0.27 1.19 7.01 -1.06 -1.25 115.95 120.45 3fex h TRP 416 Ca -0.09 0.01 0.04 0.00 2.11 0.00 0.00 58.89 60.97 3fex h TRP 416 Cb 0.71 0.08 -0.04 0.00 -2.10 0.00 0.00 29.16 27.81 3fex h TRP 416 CO -0.01 -0.09 0.03 0.35 -2.79 0.00 0.00 178.44 175.92 3fex h PHE 417 N -0.04 0.03 -0.50 2.65 3.57 -1.43 0.20 116.94 121.42 3fex h PHE 417 Ca 0.07 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.52 3fex h PHE 417 Cb 0.15 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 3fex h PHE 417 CO -0.19 -0.01 0.04 0.66 -2.23 0.00 0.00 178.31 176.58 3fex h SER 418 N 0.12 0.83 0.80 0.41 4.64 -1.26 -0.45 113.55 118.63 3fex h SER 418 Ca 0.13 -0.28 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 3fex h SER 418 Cb 0.15 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 3fex h SER 418 CO -0.19 0.91 0.00 1.57 -0.87 0.00 0.00 176.83 178.24 3fex n HIS 419 N -4.37 0.34 -0.08 4.77 -0.00 -0.49 -1.67 115.22 113.71 3fex n HIS 419 Ca 0.01 0.12 -0.18 0.00 -0.00 0.00 0.00 57.72 57.67 3fex n HIS 419 Cb 0.29 -0.69 -0.12 0.00 -0.00 0.00 0.00 29.99 29.46 3fex n HIS 419 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 3fex h HIS 420 N 0.00 0.01 -0.92 1.57 6.17 0.09 -3.35 115.15 118.72 3fex h HIS 420 Ca 0.00 -0.00 0.06 0.00 0.71 0.00 0.00 60.37 61.14 3fex h HIS 420 Cb 0.40 -0.00 -0.06 0.00 2.52 0.00 0.00 27.41 30.27 3fex h HIS 420 CO 0.00 1.22 0.58 -0.07 0.71 0.00 0.00 177.93 180.37 3fex h LEU 421 N -0.99 0.92 -2.13 0.26 3.38 -0.95 -1.46 115.31 114.33 3fex h LEU 421 Ca -0.16 0.01 0.05 0.00 0.09 0.00 0.00 57.88 57.88 3fex h LEU 421 Cb 1.14 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 3fex h LEU 421 CO -0.09 0.59 0.31 0.77 0.09 0.00 0.00 178.44 180.10 3fex h SER 422 N 1.05 0.00 0.09 -0.43 4.64 -1.46 0.26 113.55 117.70 3fex h SER 422 Ca 0.40 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.55 3fex h SER 422 Cb 0.17 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.28 3fex h SER 422 CO -0.17 0.00 -0.71 0.78 -0.87 0.00 0.00 176.83 175.86 3fex h ASN 423 N 0.00 0.47 -2.13 4.97 -0.26 -1.39 -3.39 115.58 113.85 3fex h ASN 423 Ca 0.09 -0.89 -0.75 0.00 -0.56 0.00 0.00 56.30 54.19 3fex h ASN 423 Cb 0.70 -0.15 -0.30 0.00 -1.06 0.00 0.00 38.32 37.51 3fex h ASN 423 CO -0.00 1.31 0.65 0.49 -1.06 0.00 0.00 177.43 178.83 3fex n PHE 424 N -4.18 3.07 -1.74 1.19 3.72 0.12 -4.85 117.46 114.80 3fex n PHE 424 Ca -0.13 -2.75 -0.17 0.00 -0.05 0.00 0.00 57.45 54.35 3fex n PHE 424 Cb 0.76 -1.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.24 3fex n PHE 424 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3fex n GLN 425 N -0.25 -1.52 -1.97 -1.08 6.02 -1.14 -1.40 117.38 116.03 3fex n GLN 425 Ca 0.46 0.94 -0.19 0.00 -0.01 0.00 0.00 57.00 58.21 3fex n GLN 425 Cb 0.30 -5.34 -0.04 0.00 1.02 0.00 0.00 30.24 26.18 3fex n GLN 425 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 3fex n PHE 426 N -2.54 -0.60 -2.39 1.08 3.72 0.68 -4.91 117.46 112.49 3fex n PHE 426 Ca -0.18 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.80 3fex n PHE 426 Cb 0.58 -3.45 -0.03 0.00 -0.94 0.00 0.00 39.48 35.64 3fex n PHE 426 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 3fex s ARG 427 N -4.31 4.29 -0.30 -1.08 0.52 -0.49 -4.98 118.95 112.60 3fex s ARG 427 Ca 0.00 1.74 -0.15 0.00 -0.52 0.00 0.00 55.73 56.80 3fex s ARG 427 Cb 0.00 -3.66 0.16 0.00 0.52 0.00 0.00 34.95 31.97 3fex s ARG 427 CO 0.00 -0.58 0.97 -0.46 0.02 0.00 0.00 175.30 175.25 3fex s TRP 428 N 2.80 -0.69 -0.65 -0.53 -0.11 -1.26 -4.97 118.94 113.53 3fex s TRP 428 Ca 0.58 1.23 -0.26 0.00 1.22 0.00 0.00 56.10 58.87 3fex s TRP 428 Cb -0.25 0.41 -0.09 0.00 -1.50 0.00 0.00 33.47 32.05 3fex s TRP 428 CO 0.20 -0.34 2.32 -1.12 -4.62 0.00 0.00 176.95 173.39 3fex s SER 429 N 2.23 4.36 0.20 5.86 0.01 -1.26 -4.79 113.70 120.31 3fex s SER 429 Ca -0.04 0.48 0.02 0.00 1.31 0.00 0.00 55.95 57.72 3fex s SER 429 Cb -0.06 -2.53 0.12 0.00 0.21 0.00 0.00 66.02 63.76 3fex s SER 429 CO -0.17 -3.20 1.47 -0.50 0.41 0.00 0.00 173.24 171.25 3fex h TRP 430 N 15.91 0.39 0.00 2.43 4.06 -1.98 -2.98 115.95 133.78 3fex h TRP 430 Ca -0.13 -0.17 0.00 0.00 2.06 0.00 0.00 58.89 60.65 3fex h TRP 430 Cb 1.14 -0.06 0.00 0.00 -1.00 0.00 0.00 29.16 29.24 3fex h TRP 430 CO 1.06 0.91 0.05 1.05 -3.56 0.00 0.00 178.44 177.95 3fex h GLU 431 N 0.20 0.00 -0.26 0.49 9.09 -1.99 0.11 114.58 122.21 3fex h GLU 431 Ca -0.02 0.00 0.08 0.00 0.05 0.00 0.00 59.36 59.46 3fex h GLU 431 Cb 1.28 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.37 3fex h GLU 431 CO 0.12 0.00 0.20 -0.44 0.05 0.00 0.00 179.01 178.93 3fex h ASP 432 N 0.00 0.00 -1.96 3.06 3.45 -1.92 -2.59 116.42 116.45 3fex h ASP 432 Ca 0.00 0.00 -0.68 0.00 0.43 0.00 0.00 57.03 56.78 3fex h ASP 432 Cb 0.11 0.00 -0.35 0.00 -0.56 0.00 0.00 39.33 38.53 3fex h ASP 432 CO 0.00 0.00 0.14 0.79 -1.57 0.00 0.00 179.24 178.60 3fex n TRP 433 N -4.36 3.31 0.20 4.55 8.01 0.39 -4.70 117.44 124.84 3fex n TRP 433 Ca 0.03 -2.98 0.10 0.00 -1.31 0.00 0.00 57.50 53.35 3fex n TRP 433 Cb 0.35 -0.70 0.13 0.00 -2.01 0.00 0.00 31.31 29.09 3fex n TRP 433 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.69 177.45 3fex h SER 434 N 3.10 0.00 0.06 -0.99 0.02 -1.63 -3.28 113.55 110.82 3fex h SER 434 Ca 0.39 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.34 3fex h SER 434 Cb 0.46 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.00 3fex h SER 434 CO 1.07 0.10 0.00 -0.90 -1.14 0.00 0.00 176.83 175.97 3fex n ASP 435 N -3.11 0.57 0.07 3.07 3.85 -1.26 -1.29 116.55 118.45 3fex n ASP 435 Ca 0.03 0.76 0.01 0.00 -0.71 0.00 0.00 54.79 54.88 3fex n ASP 435 Cb 0.57 -0.83 -0.04 0.00 -1.35 0.00 0.00 41.12 39.47 3fex n ASP 435 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3fex h LEU 437 N 0.00 0.00 -5.59 0.00 3.38 -1.42 -2.82 115.31 108.86 3fex h LEU 437 Ca -0.09 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.30 3fex h LEU 437 Cb 1.50 0.00 -0.42 0.00 0.09 0.00 0.00 40.66 41.83 3fex h LEU 437 CO 0.05 0.00 -0.70 -1.54 0.09 0.00 0.00 178.44 176.34 3fex n SER 438 N -3.49 3.81 -3.87 -0.43 3.41 -1.25 -5.05 113.62 106.76 3fex n SER 438 Ca 0.01 -3.53 -0.09 0.00 -0.26 0.00 0.00 58.87 55.00 3fex n SER 438 Cb 0.37 -0.59 -0.07 0.00 -0.26 0.00 0.00 64.21 63.66 3fex n SER 438 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3fex s GLN 439 N -3.06 1.03 0.01 4.33 -0.21 -1.06 -5.08 119.66 115.61 3fex s GLN 439 Ca 0.46 -1.01 -0.30 0.00 0.02 0.00 0.00 55.36 54.53 3fex s GLN 439 Cb 0.25 0.38 -0.08 0.00 1.00 0.00 0.00 33.01 34.56 3fex s GLN 439 CO -0.10 -0.37 1.96 0.34 -2.12 0.00 0.00 175.29 175.00 3fex s ASP 440 N -2.90 6.39 0.60 5.90 2.15 -1.26 -4.84 116.67 122.72 3fex s ASP 440 Ca 0.10 2.57 0.28 0.00 0.43 0.00 0.00 52.55 55.93 3fex s ASP 440 Cb 0.04 -2.53 1.32 0.00 -0.30 0.00 0.00 42.92 41.45 3fex s ASP 440 CO -0.06 -1.11 1.72 -0.65 -0.17 0.00 0.00 175.17 174.90 3fex h PRO 441 N 10.84 0.00 -0.26 4.34 0.11 -1.96 0.02 132.00 145.08 3fex h PRO 441 Ca -0.48 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.45 3fex h PRO 441 Cb 1.23 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 3fex h PRO 441 CO 0.94 0.00 -0.54 0.93 -0.21 0.00 0.00 178.00 179.13 3fex h GLU 442 N 0.00 0.78 -7.19 1.05 5.08 -1.97 -3.27 114.58 109.07 3fex h GLU 442 Ca 0.29 -0.49 -0.52 0.00 -1.00 0.00 0.00 59.36 57.64 3fex h GLU 442 Cb 1.67 0.05 0.13 0.00 0.50 0.00 0.00 28.75 31.10 3fex h GLU 442 CO -0.00 1.12 0.38 -1.54 -1.00 0.00 0.00 179.01 177.96 3fex s SER 443 N -6.93 4.64 0.00 1.42 1.04 -0.01 -4.76 113.70 109.10 3fex s SER 443 Ca -0.10 2.17 0.00 0.00 0.48 0.00 0.00 55.95 58.51 3fex s SER 443 Cb 0.11 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.66 3fex s SER 443 CO 0.87 -1.95 0.23 -2.65 0.98 0.00 0.00 173.24 170.72 3fex n PRO 444 N -2.57 0.00 -0.35 4.02 -0.02 -1.26 -2.39 135.00 132.42 3fex n PRO 444 Ca 0.12 0.23 -0.05 0.00 -2.02 0.00 0.00 63.50 61.78 3fex n PRO 444 Cb 0.51 -0.65 -0.02 0.00 -0.02 0.00 0.00 33.50 33.32 3fex n PRO 444 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3fex n LYS 445 N -0.51 -0.29 -0.17 -0.52 5.02 -1.26 0.56 118.16 120.99 3fex n LYS 445 Ca 0.00 1.33 -0.04 0.00 -2.02 0.00 0.00 58.31 57.58 3fex n LYS 445 Cb 0.00 -1.97 0.06 0.00 -0.02 0.00 0.00 35.03 33.10 3fex n LYS 445 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 3fex h PRO 446 N 0.00 0.50 -0.38 1.97 0.11 -1.83 -1.74 132.00 130.63 3fex h PRO 446 Ca 0.23 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 66.31 3fex h PRO 446 Cb 0.45 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.42 3fex h PRO 446 CO -0.85 0.33 0.25 -0.22 -0.21 0.00 0.00 178.00 177.30 3fex h LYS 447 N 0.52 0.49 0.23 1.05 3.64 0.48 -2.79 116.57 120.19 3fex h LYS 447 Ca 0.23 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.59 3fex h LYS 447 Cb 0.14 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 31.82 3fex h LYS 447 CO -0.16 0.32 -0.39 0.35 -2.27 0.00 0.00 179.45 177.29 3fex h PHE 448 N 0.50 -1.09 -0.91 1.91 3.57 0.15 -0.41 116.94 120.66 3fex h PHE 448 Ca 0.14 0.02 0.14 0.00 3.53 0.00 0.00 57.97 61.80 3fex h PHE 448 Cb -0.05 0.45 -0.07 0.00 2.79 0.00 0.00 35.95 39.06 3fex h PHE 448 CO -0.05 -0.52 0.59 0.28 -2.23 0.00 0.00 178.31 176.37 3fex h VAL 449 N -0.70 0.86 0.21 1.41 2.07 -1.28 0.12 116.25 118.93 3fex h VAL 449 Ca 0.00 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 3fex h VAL 449 Cb 0.68 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 3fex h VAL 449 CO -0.16 0.14 -0.10 0.03 0.02 0.00 0.00 177.57 177.50 3fex h ARG 450 N 0.77 -0.27 -0.37 1.57 3.08 -1.18 -0.39 114.38 117.59 3fex h ARG 450 Ca 0.46 0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.58 3fex h ARG 450 Cb 0.65 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.74 3fex h ARG 450 CO -0.22 0.07 0.25 0.93 -1.07 0.00 0.00 179.97 179.94 3fex h GLU 451 N -0.65 0.26 -0.01 0.04 4.39 -0.32 0.22 114.58 118.51 3fex h GLU 451 Ca -0.03 -0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.62 3fex h GLU 451 Cb 0.47 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 3fex h GLU 451 CO 0.05 0.17 -0.14 0.28 -1.16 0.00 0.00 179.01 178.21 3fex h VAL 452 N 0.27 1.55 0.00 3.13 2.07 -0.74 -2.50 116.25 120.03 3fex h VAL 452 Ca 0.16 -1.80 0.00 0.00 0.82 0.00 0.00 66.70 65.88 3fex h VAL 452 Cb 0.31 2.69 0.00 0.00 -1.52 0.00 0.00 31.29 32.77 3fex h VAL 452 CO -0.03 0.48 0.00 -0.07 0.02 0.00 0.00 177.57 177.97 3fex h LEU 453 N -0.56 0.00 0.10 2.57 3.38 -0.53 -0.82 115.31 119.45 3fex h LEU 453 Ca -0.01 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.67 3fex h LEU 453 Cb 0.87 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.63 3fex h LEU 453 CO 0.03 0.00 -1.24 -0.08 0.09 0.00 0.00 178.44 177.24 3fex h GLU 454 N 0.00 0.39 -0.12 1.13 4.81 -0.49 -2.96 114.58 117.33 3fex h GLU 454 Ca 0.00 -0.60 -0.06 0.00 -0.13 0.00 0.00 59.36 58.57 3fex h GLU 454 Cb 0.23 0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.82 3fex h GLU 454 CO 0.00 1.26 -0.18 0.87 -0.73 0.00 0.00 179.01 180.24 3fex h LYS 455 N 0.14 0.34 -0.82 1.92 1.79 -0.75 -2.64 116.57 116.55 3fex h LYS 455 Ca -0.15 -0.20 0.11 0.00 -2.18 0.00 0.00 60.65 58.23 3fex h LYS 455 Cb 1.93 0.02 -0.06 0.00 -1.58 0.00 0.00 32.23 32.54 3fex h LYS 455 CO 0.22 0.77 0.54 0.00 -1.08 0.00 0.00 179.45 179.89 3fex h MET 457 N 0.70 -0.21 -0.99 0.00 1.85 -1.46 -0.99 114.93 113.82 3fex h MET 457 Ca 0.39 0.01 0.13 0.00 -0.61 0.00 0.00 59.70 59.63 3fex h MET 457 Cb 0.56 0.05 -0.09 0.00 0.43 0.00 0.00 31.60 32.55 3fex h MET 457 CO -0.16 0.02 0.62 0.00 -0.40 0.00 0.00 176.91 177.00 3fex h ARG 458 N -0.42 0.91 -0.12 0.39 3.08 -0.84 0.17 114.38 117.56 3fex h ARG 458 Ca -0.02 -0.05 -0.17 0.00 0.07 0.00 0.00 59.98 59.80 3fex h ARG 458 Cb 0.33 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 3fex h ARG 458 CO 0.04 0.60 -0.65 -0.07 -1.07 0.00 0.00 179.97 178.81 3fex h LEU 459 N 0.94 0.52 0.00 3.04 3.38 -1.09 -3.44 115.31 118.65 3fex h LEU 459 Ca 0.50 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3fex h LEU 459 Cb 0.56 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3fex h LEU 459 CO -0.27 1.03 0.00 -1.54 0.09 0.00 0.00 178.44 177.75 3fex n SER 460 N -3.89 0.00 -2.16 -0.43 3.41 -0.34 -5.11 113.62 105.11 3fex n SER 460 Ca -0.04 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.54 3fex n SER 460 Cb 0.66 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.63 3fex n SER 460 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fex n TYR 461 N 0.00 -1.43 0.02 7.33 4.11 -0.10 -4.94 117.16 122.15 3fex n TYR 461 Ca 0.00 -0.91 -0.01 0.00 -0.00 0.00 0.00 57.90 56.98 3fex n TYR 461 Cb 0.00 0.45 -0.00 0.00 -0.00 0.00 0.00 39.34 39.78 3fex n TYR 461 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.86 178.11 3fex h HIS 462 N 1.57 -0.05 -0.71 -3.48 -0.00 -1.94 -3.15 115.15 107.38 3fex h HIS 462 Ca -0.18 -0.00 0.19 0.00 -0.00 0.00 0.00 60.37 60.38 3fex h HIS 462 Cb 0.70 0.02 -0.04 0.00 -0.00 0.00 0.00 27.41 28.09 3fex h HIS 462 CO 0.00 -0.03 0.50 0.37 -0.00 0.00 0.00 177.93 178.76 3fex h GLN 463 N -0.07 0.12 -0.61 5.26 5.75 -1.98 -0.02 115.11 123.55 3fex h GLN 463 Ca -0.01 -0.01 0.02 0.00 -0.15 0.00 0.00 58.65 58.51 3fex h GLN 463 Cb 0.04 -0.03 -0.04 0.00 1.07 0.00 0.00 27.48 28.53 3fex h GLN 463 CO 0.01 0.08 0.38 -0.09 -2.65 0.00 0.00 178.83 176.56 3fex h ARG 464 N 0.13 0.74 -0.20 1.69 1.12 -1.98 -2.59 114.38 113.29 3fex h ARG 464 Ca 0.34 -0.04 -0.20 0.00 -1.11 0.00 0.00 59.98 58.97 3fex h ARG 464 Cb 1.17 -0.17 0.00 0.00 -0.01 0.00 0.00 29.97 30.97 3fex h ARG 464 CO -0.05 0.49 -0.66 0.82 -3.11 0.00 0.00 179.97 177.46 3fex h ILE 465 N 0.76 1.29 -0.78 1.20 5.03 -0.97 -3.16 117.51 120.88 3fex h ILE 465 Ca 0.24 -1.88 0.21 0.00 -0.12 0.00 0.00 64.86 63.30 3fex h ILE 465 Cb -0.00 1.84 -0.04 0.00 -3.03 0.00 0.00 36.82 35.59 3fex h ILE 465 CO -0.09 0.60 0.55 -0.07 -0.68 0.00 0.00 178.15 178.46 3fex h LEU 466 N 0.55 0.13 0.06 1.44 -0.00 -1.05 -2.65 115.31 113.78 3fex h LEU 466 Ca -0.02 0.01 -0.00 0.00 -0.00 0.00 0.00 57.88 57.87 3fex h LEU 466 Cb 1.27 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 41.92 3fex h LEU 466 CO 0.14 0.06 -0.03 0.44 -0.00 0.00 0.00 178.44 179.05 3fex h ASP 467 N 0.14 -0.07 -0.35 -0.43 3.32 -1.47 -3.36 116.42 114.21 3fex h ASP 467 Ca 0.38 -0.57 -0.02 0.00 0.02 0.00 0.00 57.03 56.84 3fex h ASP 467 Cb 1.31 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.85 3fex h ASP 467 CO -0.06 0.64 0.17 0.16 -1.72 0.00 0.00 179.24 178.43 3fex h ILE 468 N -0.87 1.15 -3.48 0.35 3.07 -1.52 -3.42 117.51 112.79 3fex h ILE 468 Ca -0.01 -0.46 -0.53 0.00 1.55 0.00 0.00 64.86 65.41 3fex h ILE 468 Cb 0.64 0.67 -0.03 0.00 -0.27 0.00 0.00 36.82 37.82 3fex h ILE 468 CO 0.01 0.18 0.15 0.68 -1.05 0.00 0.00 178.15 178.12 3fex s VAL 469 N -5.29 4.44 0.56 0.16 -7.23 -1.10 -4.95 120.40 106.99 3fex s VAL 469 Ca -0.08 1.63 -0.19 0.00 -1.81 0.00 0.00 61.98 61.53 3fex s VAL 469 Cb 0.17 -4.10 -0.07 0.00 0.56 0.00 0.00 36.38 32.94 3fex s VAL 469 CO 0.75 0.52 0.85 -2.65 -0.31 0.00 0.00 175.10 174.26 3fex n PRO 470 N 1.66 0.86 0.19 4.82 -0.02 -1.26 -4.76 135.00 136.50 3fex n PRO 470 Ca -0.06 0.33 0.10 0.00 -2.02 0.00 0.00 63.50 61.85 3fex n PRO 470 Cb 0.49 -2.02 0.53 0.00 -0.02 0.00 0.00 33.50 32.48 3fex n PRO 470 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3fex h PRO 471 N 0.59 0.00 0.01 0.52 0.11 -1.92 0.28 132.00 131.59 3fex h PRO 471 Ca -0.47 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.40 3fex h PRO 471 Cb 1.37 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.44 3fex h PRO 471 CO 0.51 0.00 -1.25 1.79 -0.21 0.00 0.00 178.00 178.84 3fex h THR 472 N 0.00 1.41 -0.00 -1.15 1.35 -2.00 -3.24 112.91 109.28 3fex h THR 472 Ca 0.00 -3.17 0.00 0.00 -0.55 0.00 0.00 66.41 62.69 3fex h THR 472 Cb 0.39 2.71 0.00 0.00 -1.73 0.00 0.00 68.15 69.52 3fex h THR 472 CO 0.00 0.81 -0.05 0.49 -0.25 0.00 0.00 175.52 176.53 3fex n PHE 473 N -3.26 0.00 0.40 4.73 3.01 0.97 -3.60 117.46 119.71 3fex n PHE 473 Ca -0.06 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.44 3fex n PHE 473 Cb 0.98 -0.38 0.21 0.00 -0.01 0.00 0.00 39.48 40.27 3fex n PHE 473 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 3fex n SER 474 N -1.38 0.00 -0.32 4.37 7.64 -1.07 -0.70 113.62 122.16 3fex n SER 474 Ca 0.10 0.09 0.14 0.00 1.01 0.00 0.00 58.87 60.20 3fex n SER 474 Cb 0.30 -0.23 0.48 0.00 -1.01 0.00 0.00 64.21 63.75 3fex n SER 474 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3fex n ALA 475 N -1.23 2.83 0.12 -0.43 0.00 -1.24 -3.70 120.51 116.86 3fex n ALA 475 Ca 0.04 -0.40 0.01 0.00 0.00 0.00 0.00 53.44 53.10 3fex n ALA 475 Cb 0.06 -1.18 -0.01 0.00 0.00 0.00 0.00 19.45 18.32 3fex n ALA 475 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3fex n LEU 476 N -0.36 0.36 -4.77 0.00 4.77 0.13 -5.04 117.00 112.08 3fex n LEU 476 Ca 0.16 -0.61 -0.41 0.00 -0.03 0.00 0.00 56.01 55.12 3fex n LEU 476 Cb 0.34 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.42 3fex n LEU 476 CO 0.22 0.08 1.11 0.00 -1.33 0.00 0.00 177.39 177.47 3fex n PRO 478 N 0.73 2.19 -1.33 0.00 -0.02 -1.26 -4.94 135.00 130.37 3fex n PRO 478 Ca 0.01 0.78 -0.33 0.00 -2.02 0.00 0.00 63.50 61.95 3fex n PRO 478 Cb 0.40 -2.47 0.10 0.00 -0.02 0.00 0.00 33.50 31.51 3fex n PRO 478 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3fex s ALA 479 N -0.00 2.09 -0.36 3.55 0.00 -1.26 -4.84 121.76 120.94 3fex s ALA 479 Ca 0.68 0.66 -0.33 0.00 0.00 0.00 0.00 51.96 52.97 3fex s ALA 479 Cb -0.62 -3.41 -0.10 0.00 0.00 0.00 0.00 23.12 19.00 3fex s ALA 479 CO 0.49 -1.91 2.24 -1.71 0.00 0.00 0.00 175.76 174.87 3fex n ASN 480 N -3.07 2.32 -3.55 0.00 2.85 -1.26 -4.80 115.26 107.75 3fex n ASN 480 Ca 0.12 0.27 -0.41 0.00 -0.11 0.00 0.00 54.58 54.45 3fex n ASN 480 Cb 0.51 -1.34 -0.06 0.00 1.24 0.00 0.00 39.78 40.13 3fex n ASN 480 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 3fex n PRO 481 N 8.41 1.33 -4.35 1.20 -0.02 -1.26 -4.88 135.00 135.43 3fex n PRO 481 Ca 0.39 -1.67 -0.29 0.00 -2.02 0.00 0.00 63.50 59.91 3fex n PRO 481 Cb 0.30 -2.80 -0.12 0.00 -0.02 0.00 0.00 33.50 30.86 3fex n PRO 481 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3fex s THR 482 N 5.11 2.57 1.06 3.45 -4.23 -1.26 -4.78 115.64 117.57 3fex s THR 482 Ca 0.56 -1.61 -0.18 0.00 -1.18 0.00 0.00 61.69 59.28 3fex s THR 482 Cb 0.14 -2.16 0.27 0.00 1.34 0.00 0.00 72.50 72.08 3fex s THR 482 CO 0.13 0.10 0.91 0.00 -0.54 0.00 0.00 174.62 175.22 3fex s ILE 484 N -2.61 0.49 -0.63 0.00 1.01 -0.62 -5.02 121.20 113.83 3fex s ILE 484 Ca 0.60 -1.61 -0.27 0.00 0.00 0.00 0.00 60.65 59.37 3fex s ILE 484 Cb -0.06 -1.37 0.03 0.00 0.01 0.00 0.00 42.46 41.07 3fex s ILE 484 CO 0.46 -0.85 1.17 -0.47 0.00 0.00 0.00 174.94 175.26 3fex s TYR 485 N 1.26 2.54 0.26 3.97 6.04 -1.26 -4.59 117.35 125.57 3fex s TYR 485 Ca 0.14 0.17 -0.01 0.00 0.04 0.00 0.00 57.07 57.41 3fex s TYR 485 Cb -0.21 -4.48 0.55 0.00 -1.04 0.00 0.00 41.96 36.78 3fex s TYR 485 CO -0.13 -1.71 1.73 -0.22 -1.54 0.00 0.00 175.55 173.68 3fex h LYS 486 N 9.66 0.47 -1.16 4.97 3.64 -1.95 -0.17 116.57 132.03 3fex h LYS 486 Ca -0.26 -0.03 -0.56 0.00 -1.27 0.00 0.00 60.65 58.53 3fex h LYS 486 Cb 1.06 -0.11 -0.24 0.00 -0.41 0.00 0.00 32.23 32.53 3fex h LYS 486 CO 1.20 0.31 0.73 0.66 -2.27 0.00 0.00 179.45 180.08 3fex n TYR 487 N -4.98 2.70 0.00 1.91 4.02 -1.26 -4.91 117.16 114.64 3fex n TYR 487 Ca 0.17 -2.68 0.00 0.00 -0.01 0.00 0.00 57.90 55.38 3fex n TYR 487 Cb 0.48 -1.29 0.00 0.00 -0.02 0.00 0.00 39.34 38.51 3fex n TYR 487 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3fex n GLY 488 N -0.53 -1.47 0.00 2.72 0.00 -0.08 -4.82 105.19 101.01 3fex n GLY 488 Ca 0.53 -1.28 0.08 0.00 0.00 0.00 0.00 46.02 45.34 3fex n GLY 488 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3fex n ASP 489 N 0.00 0.00 -4.75 1.61 8.00 -1.26 -4.77 116.55 115.38 3fex n ASP 489 Ca 0.00 0.15 -0.41 0.00 0.71 0.00 0.00 54.79 55.23 3fex n ASP 489 Cb 0.00 -0.33 -0.01 0.00 -0.02 0.00 0.00 41.12 40.76 3fex n ASP 489 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3fex s GLU 490 N -2.66 4.13 0.00 -1.24 2.12 -1.26 -4.85 118.70 114.94 3fex s GLU 490 Ca 0.14 2.57 -0.01 0.00 0.36 0.00 0.00 54.97 58.02 3fex s GLU 490 Cb 0.11 -3.02 -0.05 0.00 0.26 0.00 0.00 34.13 31.42 3fex s GLU 490 CO 0.25 -0.62 1.86 0.43 -0.54 0.00 0.00 175.26 176.64 3fex n SER 491 N 2.08 4.03 -1.98 -1.70 7.64 -1.26 -4.48 113.62 117.95 3fex n SER 491 Ca 0.08 -2.11 -0.14 0.00 1.01 0.00 0.00 58.87 57.71 3fex n SER 491 Cb 0.38 -0.91 -0.07 0.00 -1.01 0.00 0.00 64.21 62.59 3fex n SER 491 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 3fex n SER 492 N 1.88 5.76 -0.20 6.43 2.88 -1.26 -4.64 113.62 124.46 3fex n SER 492 Ca 0.08 -2.73 0.18 0.00 -1.33 0.00 0.00 58.87 55.07 3fex n SER 492 Cb 0.46 -1.25 0.53 0.00 -0.75 0.00 0.00 64.21 63.20 3fex n SER 492 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 3fex h ASN 493 N 2.29 0.36 0.00 -3.46 2.35 -1.99 -0.92 115.58 114.22 3fex h ASN 493 Ca 0.21 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.99 3fex h ASN 493 Cb 1.11 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.44 3fex h ASN 493 CO 0.42 0.16 0.00 -1.54 -1.65 0.00 0.00 177.43 174.82 3fex n SER 494 N -4.48 0.54 -4.77 5.81 3.41 -1.26 -4.73 113.62 108.14 3fex n SER 494 Ca 0.17 -1.70 -0.38 0.00 -0.26 0.00 0.00 58.87 56.70 3fex n SER 494 Cb 0.65 -0.27 -0.04 0.00 -0.26 0.00 0.00 64.21 64.29 3fex n SER 494 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3fex s LEU 495 N -0.36 4.26 0.13 1.04 1.43 -0.35 -4.98 118.68 119.85 3fex s LEU 495 Ca 0.00 2.14 -0.32 0.00 -1.03 0.00 0.00 54.13 54.92 3fex s LEU 495 Cb 0.00 -4.01 -0.11 0.00 0.03 0.00 0.00 46.19 42.10 3fex s LEU 495 CO 0.00 -0.42 1.80 -2.65 0.23 0.00 0.00 176.35 175.31 3fex n PRO 496 N 0.29 2.72 -3.44 1.29 -0.02 -1.26 -2.46 135.00 132.12 3fex n PRO 496 Ca 0.03 0.99 -0.20 0.00 -2.02 0.00 0.00 63.50 62.30 3fex n PRO 496 Cb 0.48 -2.86 0.07 0.00 -0.02 0.00 0.00 33.50 31.17 3fex n PRO 496 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fex n GLY 497 N 4.13 -0.36 0.18 -1.23 0.00 -1.26 -4.92 105.19 101.72 3fex n GLY 497 Ca 0.18 0.14 -0.16 0.00 0.00 0.00 0.00 46.02 46.17 3fex n GLY 497 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3fex h HIS 498 N -2.30 0.80 -0.41 1.61 2.76 -1.77 -2.89 115.15 112.96 3fex h HIS 498 Ca -0.51 -0.35 -0.03 0.00 -2.20 0.00 0.00 60.37 57.28 3fex h HIS 498 Cb 1.32 -0.12 -0.02 0.00 1.55 0.00 0.00 27.41 30.14 3fex h HIS 498 CO 0.44 1.15 0.15 0.66 -1.30 0.00 0.00 177.93 179.02 3fex h SER 499 N 0.23 0.57 -0.60 3.26 4.64 -1.89 -2.74 113.55 117.02 3fex h SER 499 Ca -0.04 -0.18 -0.00 0.00 -0.47 0.00 0.00 61.79 61.10 3fex h SER 499 Cb 1.21 -0.15 -0.03 0.00 -0.31 0.00 0.00 62.40 63.13 3fex h SER 499 CO 0.12 0.60 0.36 0.58 -0.87 0.00 0.00 176.83 177.62 3fex h VAL 500 N 0.51 1.17 -0.39 0.95 2.07 -1.95 -1.71 116.25 116.90 3fex h VAL 500 Ca 0.13 -0.38 0.07 0.00 0.82 0.00 0.00 66.70 67.35 3fex h VAL 500 Cb 0.21 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 3fex h VAL 500 CO -0.01 0.18 0.27 0.00 0.02 0.00 0.00 177.57 178.03 3fex h ALA 501 N 1.19 2.09 -0.01 1.67 0.00 -1.34 0.88 119.26 123.73 3fex h ALA 501 Ca 0.21 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.94 3fex h ALA 501 Cb -0.03 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3fex h ALA 501 CO -0.04 -0.17 -0.76 1.25 0.00 0.00 0.00 179.25 179.53 3fex h LEU 502 N 0.22 0.15 0.20 0.00 7.12 -1.04 -2.33 115.31 119.63 3fex h LEU 502 Ca 0.18 -0.11 -0.01 0.00 0.13 0.00 0.00 57.88 58.07 3fex h LEU 502 Cb 0.42 -0.05 0.00 0.00 -0.53 0.00 0.00 40.66 40.51 3fex h LEU 502 CO -0.03 0.85 -0.10 0.00 -0.13 0.00 0.00 178.44 179.03 3fex h LEU 504 N -0.44 0.28 -0.59 0.00 3.38 -1.26 -2.13 115.31 114.55 3fex h LEU 504 Ca -0.03 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.01 3fex h LEU 504 Cb 0.33 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.97 3fex h LEU 504 CO 0.05 0.18 0.29 0.00 0.09 0.00 0.00 178.44 179.05 3fex h ALA 505 N 1.77 0.77 0.00 1.53 0.00 -1.08 -1.11 119.26 121.14 3fex h ALA 505 Ca 0.19 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.03 3fex h ALA 505 Cb 0.34 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3fex h ALA 505 CO -0.04 -0.07 -0.50 0.28 0.00 0.00 0.00 179.25 178.92 3fex h VAL 506 N 0.54 0.88 -0.13 0.00 2.07 -1.31 -2.59 116.25 115.71 3fex h VAL 506 Ca 0.27 -2.15 -0.00 0.00 0.82 0.00 0.00 66.70 65.64 3fex h VAL 506 Cb 0.22 2.36 -0.01 0.00 -1.52 0.00 0.00 31.29 32.34 3fex h VAL 506 CO -0.20 0.49 0.07 0.00 0.02 0.00 0.00 177.57 177.94 3fex h ALA 507 N 1.50 0.17 -0.02 1.67 0.00 -0.63 -2.28 119.26 119.67 3fex h ALA 507 Ca -0.00 -0.07 -0.18 0.00 0.00 0.00 0.00 54.91 54.66 3fex h ALA 507 Cb 1.32 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 3fex h ALA 507 CO 0.06 -0.28 -0.78 0.74 0.00 0.00 0.00 179.25 178.99 3fex h PHE 508 N 0.10 0.25 0.00 0.00 -1.00 -1.31 -0.63 116.94 114.33 3fex h PHE 508 Ca 0.04 -0.12 0.00 0.00 2.81 0.00 0.00 57.97 60.70 3fex h PHE 508 Cb 0.10 -0.03 0.00 0.00 3.61 0.00 0.00 35.95 39.63 3fex h PHE 508 CO -0.03 0.88 0.00 1.63 -1.61 0.00 0.00 178.31 179.18 3fex n LYS 509 N -3.72 0.16 -0.28 1.51 5.02 -0.98 -2.01 118.16 117.87 3fex n LYS 509 Ca -0.03 0.43 0.08 0.00 -2.02 0.00 0.00 58.31 56.77 3fex n LYS 509 Cb 0.74 -1.83 0.13 0.00 -0.02 0.00 0.00 35.03 34.06 3fex n LYS 509 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3fex n SER 510 N -2.13 1.88 -2.80 4.39 3.41 -0.87 -5.05 113.62 112.45 3fex n SER 510 Ca 0.02 -3.07 -0.02 0.00 -0.26 0.00 0.00 58.87 55.54 3fex n SER 510 Cb 0.19 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.73 3fex n SER 510 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3fex n LYS 511 N -1.13 -3.01 -3.64 4.33 4.76 -0.85 -5.00 118.16 113.62 3fex n LYS 511 Ca 0.14 2.48 -0.32 0.00 -2.87 0.00 0.00 58.31 57.75 3fex n LYS 511 Cb 0.68 -4.88 -0.05 0.00 -1.84 0.00 0.00 35.03 28.93 3fex n LYS 511 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3fex s ALA 512 N -1.67 3.77 0.70 7.82 0.00 -0.27 -4.96 121.76 127.15 3fex s ALA 512 Ca 0.03 -0.52 -0.10 0.00 0.00 0.00 0.00 51.96 51.38 3fex s ALA 512 Cb -0.01 -2.17 0.03 0.00 0.00 0.00 0.00 23.12 20.97 3fex s ALA 512 CO 0.70 0.65 1.07 0.95 0.00 0.00 0.00 175.76 179.13 3fex s THR 513 N -1.64 3.15 0.10 0.00 -4.23 -1.26 -4.91 115.64 106.86 3fex s THR 513 Ca 0.40 0.25 -0.25 0.00 -1.18 0.00 0.00 61.69 60.91 3fex s THR 513 Cb -0.12 -3.35 -0.12 0.00 1.34 0.00 0.00 72.50 70.25 3fex s THR 513 CO 0.23 -0.43 1.69 0.78 -0.54 0.00 0.00 174.62 176.35 3fex h ASN 514 N -0.64 -0.33 -0.01 3.99 2.35 -1.99 -2.11 115.58 116.85 3fex h ASN 514 Ca -0.45 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.33 3fex h ASN 514 Cb 1.27 0.12 -0.00 0.00 0.05 0.00 0.00 38.32 39.76 3fex h ASN 514 CO 0.63 -0.19 0.04 0.44 -1.65 0.00 0.00 177.43 176.71 3fex h ASP 515 N -0.27 0.00 0.01 5.81 5.19 -2.01 -2.76 116.42 122.39 3fex h ASP 515 Ca 0.01 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.42 3fex h ASP 515 Cb 0.26 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.77 3fex h ASP 515 CO -0.04 0.00 -0.00 -0.08 -3.12 0.00 0.00 179.24 175.99 3fex h GLU 516 N 0.00 -0.01 -0.83 3.56 4.81 -1.79 -3.21 114.58 117.11 3fex h GLU 516 Ca 0.00 0.00 0.17 0.00 -0.13 0.00 0.00 59.36 59.40 3fex h GLU 516 Cb 0.09 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.41 3fex h GLU 516 CO -0.00 0.50 0.55 0.82 -0.73 0.00 0.00 179.01 180.15 3fex h ILE 517 N -1.00 0.76 0.26 2.32 1.08 -1.13 -1.29 117.51 118.51 3fex h ILE 517 Ca -0.00 -0.16 -0.01 0.00 -0.39 0.00 0.00 64.86 64.30 3fex h ILE 517 Cb 0.51 0.25 0.00 0.00 -3.07 0.00 0.00 36.82 34.51 3fex h ILE 517 CO 0.00 0.09 -0.12 -0.26 -0.69 0.00 0.00 178.15 177.16 3fex h PHE 518 N 0.47 -0.32 -0.86 1.37 0.04 -1.62 -2.41 116.94 113.60 3fex h PHE 518 Ca 0.42 -0.01 0.14 0.00 2.80 0.00 0.00 57.97 61.32 3fex h PHE 518 Cb 0.94 0.11 -0.07 0.00 2.20 0.00 0.00 35.95 39.13 3fex h PHE 518 CO -0.00 -0.16 0.56 0.77 -0.60 0.00 0.00 178.31 178.88 3fex h SER 519 N -0.40 0.62 -0.20 2.17 0.02 -1.24 -0.31 113.55 114.21 3fex h SER 519 Ca -0.04 0.04 -0.15 0.00 -0.84 0.00 0.00 61.79 60.80 3fex h SER 519 Cb 0.30 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 3fex h SER 519 CO 0.06 0.32 -0.42 0.40 -1.14 0.00 0.00 176.83 176.04 3fex h ILE 520 N 0.66 1.29 0.00 3.27 2.04 -1.33 -2.66 117.51 120.77 3fex h ILE 520 Ca 0.43 -1.61 0.00 0.00 1.00 0.00 0.00 64.86 64.68 3fex h ILE 520 Cb 0.71 1.51 0.00 0.00 -0.74 0.00 0.00 36.82 38.30 3fex h ILE 520 CO -0.19 0.52 0.00 0.18 0.00 0.00 0.00 178.15 178.66 3fex n LEU 521 N -4.03 0.00 -0.50 1.44 4.77 -0.15 -2.09 117.00 116.44 3fex n LEU 521 Ca -0.02 0.39 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 3fex n LEU 521 Cb 0.55 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 3fex n LEU 521 CO 0.47 -0.26 0.24 0.29 -1.33 0.00 0.00 177.39 176.81 3fex n LYS 522 N -1.39 0.96 0.00 3.23 5.02 -1.00 -3.13 118.16 121.85 3fex n LYS 522 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 3fex n LYS 522 Cb 0.10 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.63 3fex n LYS 522 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3fex n ASP 523 N 0.02 1.62 -4.69 4.39 8.00 -0.89 -5.03 116.55 119.97 3fex n ASP 523 Ca 0.00 -1.81 -0.35 0.00 0.71 0.00 0.00 54.79 53.34 3fex n ASP 523 Cb 0.24 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.25 3fex n ASP 523 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3fex s VAL 524 N -0.81 5.04 0.00 2.53 1.01 -1.18 -5.01 120.40 121.98 3fex s VAL 524 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.03 3fex s VAL 524 Cb 0.00 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 33.11 3fex s VAL 524 CO 0.00 0.48 0.34 -2.65 0.00 0.00 0.00 175.10 173.27 3fex n PRO 525 N 3.31 0.00 0.00 2.72 -0.02 -1.26 -4.96 135.00 134.79 3fex n PRO 525 Ca -0.17 -0.03 0.00 0.00 -2.02 0.00 0.00 63.50 61.28 3fex n PRO 525 Cb 0.52 -1.17 0.00 0.00 -0.02 0.00 0.00 33.50 32.83 3fex n PRO 525 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3fex n PHE 539 N 2.59 0.00 -3.97 6.00 -0.00 -1.26 -5.04 117.46 115.78 3fex n PHE 539 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.45 57.14 3fex n PHE 539 Cb 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 39.48 39.33 3fex n PHE 539 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.76 177.97 3fex s ASN 540 N 0.00 4.00 0.08 -2.13 2.47 -1.26 -5.03 114.94 113.08 3fex s ASN 540 Ca 0.00 -1.24 -0.29 0.00 0.42 0.00 0.00 52.86 51.75 3fex s ASN 540 Cb 0.00 -1.27 -0.17 0.00 -1.45 0.00 0.00 41.25 38.36 3fex s ASN 540 CO 0.00 -0.23 1.67 -0.65 -3.72 0.00 0.00 177.10 174.17 3fex h PRO 541 N 7.91 -0.56 0.00 0.43 0.11 -2.00 -2.99 132.00 134.90 3fex h PRO 541 Ca -0.18 0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.93 3fex h PRO 541 Cb 1.06 0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 3fex h PRO 541 CO 0.42 -0.37 -0.16 1.25 -0.21 0.00 0.00 178.00 178.93 3fex h LEU 542 N -0.58 0.00 -1.36 2.35 5.85 -1.96 -0.35 115.31 119.26 3fex h LEU 542 Ca -0.06 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.64 3fex h LEU 542 Cb 0.45 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 3fex h LEU 542 CO 0.09 0.16 0.11 0.50 -0.34 0.00 0.00 178.44 178.95 3fex h LYS 543 N 0.00 0.54 0.18 1.25 3.64 -1.90 -2.36 116.57 117.93 3fex h LYS 543 Ca -0.00 -0.08 -0.33 0.00 -1.27 0.00 0.00 60.65 58.97 3fex h LYS 543 Cb 0.31 -0.10 0.01 0.00 -0.41 0.00 0.00 32.23 32.05 3fex h LYS 543 CO 0.02 0.48 -1.55 0.82 -2.27 0.00 0.00 179.45 176.95 3fex h ILE 544 N 0.53 1.17 0.00 2.00 2.04 -1.16 -3.08 117.51 119.01 3fex h ILE 544 Ca 0.13 -2.71 0.00 0.00 1.00 0.00 0.00 64.86 63.28 3fex h ILE 544 Cb 0.18 2.87 0.00 0.00 -0.74 0.00 0.00 36.82 39.13 3fex h ILE 544 CO -0.01 0.84 0.00 1.21 0.00 0.00 0.00 178.15 180.19 3fex n GLU 545 N -3.59 0.06 -0.09 2.37 2.13 -0.27 -1.79 120.64 119.47 3fex n GLU 545 Ca -0.18 0.29 -0.17 0.00 0.66 0.00 0.00 57.16 57.76 3fex n GLU 545 Cb 1.07 -1.50 -0.07 0.00 0.27 0.00 0.00 31.44 31.22 3fex n GLU 545 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 3fex n VAL 546 N -1.38 0.97 0.41 6.31 0.24 -0.92 -4.09 118.33 119.86 3fex n VAL 546 Ca 0.03 -0.28 -0.18 0.00 -2.04 0.00 0.00 64.34 61.87 3fex n VAL 546 Cb 0.07 -1.58 -0.09 0.00 -1.47 0.00 0.00 33.84 30.77 3fex n VAL 546 CO 0.00 0.00 0.00 0.15 -2.14 0.00 0.00 176.83 174.84 3fex h PHE 547 N -0.48 -0.96 -0.10 6.34 3.57 -1.42 0.13 116.94 124.02 3fex h PHE 547 Ca -0.43 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.08 3fex h PHE 547 Cb 1.44 0.32 -0.03 0.00 2.79 0.00 0.00 35.95 40.46 3fex h PHE 547 CO -0.04 -0.58 -0.08 0.28 -2.23 0.00 0.00 178.31 175.66 3fex h VAL 548 N -1.10 0.76 -0.55 1.41 2.07 -1.63 0.11 116.25 117.32 3fex h VAL 548 Ca -0.11 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.51 3fex h VAL 548 Cb 0.81 0.76 -0.08 0.00 -1.52 0.00 0.00 31.29 31.26 3fex h VAL 548 CO 0.17 0.00 0.13 1.56 0.02 0.00 0.00 177.57 179.45 3fex h GLN 549 N -0.09 0.26 0.22 1.57 1.08 -1.69 -2.49 115.11 113.96 3fex h GLN 549 Ca 0.07 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.24 3fex h GLN 549 Cb 0.19 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.57 3fex h GLN 549 CO -0.16 0.17 -0.10 1.15 -0.95 0.00 0.00 178.83 178.94 3fex h THR 550 N 0.27 0.85 0.04 -0.54 2.02 -0.34 -3.15 112.91 112.06 3fex h THR 550 Ca 0.28 -0.77 0.01 0.00 0.77 0.00 0.00 66.41 66.70 3fex h THR 550 Cb 0.39 1.27 -0.03 0.00 -1.74 0.00 0.00 68.15 68.04 3fex h THR 550 CO -0.35 0.16 -0.31 0.25 0.37 0.00 0.00 175.52 175.64 3fex h LEU 551 N -0.70 -0.95 -0.98 2.58 5.85 -0.88 -2.20 115.31 118.04 3fex h LEU 551 Ca -0.03 0.10 0.24 0.00 0.84 0.00 0.00 57.88 59.03 3fex h LEU 551 Cb 0.49 0.35 -0.12 0.00 0.37 0.00 0.00 40.66 41.75 3fex h LEU 551 CO 0.05 -0.32 0.54 -0.07 -0.34 0.00 0.00 178.44 178.30 3fex h LEU 552 N -0.42 0.59 0.56 2.25 3.38 -1.58 -1.36 115.31 118.73 3fex h LEU 552 Ca 0.00 0.14 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 3fex h LEU 552 Cb 0.44 0.06 0.01 0.00 0.09 0.00 0.00 40.66 41.25 3fex h LEU 552 CO -0.18 0.08 -0.27 -0.74 0.09 0.00 0.00 178.44 177.41 3fex h HIS 553 N 0.53 -0.70 -0.82 1.13 2.76 -1.40 -2.37 115.15 114.28 3fex h HIS 553 Ca 0.62 -0.02 0.05 0.00 -2.20 0.00 0.00 60.37 58.83 3fex h HIS 553 Cb 1.19 0.23 -0.05 0.00 1.55 0.00 0.00 27.41 30.33 3fex h HIS 553 CO -0.04 -0.42 0.54 -0.07 -1.30 0.00 0.00 177.93 176.64 3fex h LEU 554 N -0.78 0.83 -5.28 0.26 3.38 -0.69 -2.31 115.31 110.73 3fex h LEU 554 Ca -0.08 -0.00 -0.75 0.00 0.09 0.00 0.00 57.88 57.14 3fex h LEU 554 Cb 0.59 -0.18 -0.30 0.00 0.09 0.00 0.00 40.66 40.86 3fex h LEU 554 CO 0.13 0.56 0.76 0.00 0.09 0.00 0.00 178.44 179.97 3fex n ALA 555 N -2.42 6.15 -0.05 1.53 0.00 -0.62 -4.56 120.51 120.54 3fex n ALA 555 Ca 0.11 -4.30 0.06 0.00 0.00 0.00 0.00 53.44 49.31 3fex n ALA 555 Cb 0.16 -1.81 0.14 0.00 0.00 0.00 0.00 19.45 17.94 3fex n ALA 555 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fex n ALA 556 N -0.40 2.24 0.20 0.00 0.00 -0.87 -3.58 120.51 118.11 3fex n ALA 556 Ca 0.49 -1.04 -0.15 0.00 0.00 0.00 0.00 53.44 52.75 3fex n ALA 556 Cb 0.30 -0.44 -0.08 0.00 0.00 0.00 0.00 19.45 19.23 3fex n ALA 556 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3fex h LYS 557 N 2.12 -0.49 0.00 0.00 3.64 -1.82 -3.48 116.57 116.55 3fex h LYS 557 Ca 0.00 0.03 -0.14 0.00 -1.27 0.00 0.00 60.65 59.27 3fex h LYS 557 Cb 0.69 0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.58 3fex h LYS 557 CO 0.00 -0.22 -0.10 -1.13 -2.27 0.00 0.00 179.45 175.73 3fex n SER 558 N -5.23 -0.49 -0.04 4.20 3.41 -1.26 -5.07 113.62 109.14 3fex n SER 558 Ca -0.10 -1.82 -0.12 0.00 -0.26 0.00 0.00 58.87 56.56 3fex n SER 558 Cb 0.26 0.96 -0.07 0.00 -0.26 0.00 0.00 64.21 65.10 3fex n SER 558 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 3fex h PHE 559 N 1.43 0.24 -0.41 7.33 -1.00 -1.92 -3.22 116.94 119.38 3fex h PHE 559 Ca -0.11 -0.05 0.09 0.00 2.81 0.00 0.00 57.97 60.71 3fex h PHE 559 Cb 0.49 -0.06 -0.09 0.00 3.61 0.00 0.00 35.95 39.91 3fex h PHE 559 CO 0.00 0.50 -0.19 0.66 -1.61 0.00 0.00 178.31 177.67 3fex h SER 560 N -0.09 -0.64 -0.98 2.17 4.64 -1.97 -0.26 113.55 116.40 3fex h SER 560 Ca 0.03 0.15 0.10 0.00 -0.47 0.00 0.00 61.79 61.60 3fex h SER 560 Cb 0.41 0.36 -0.08 0.00 -0.31 0.00 0.00 62.40 62.78 3fex h SER 560 CO 0.01 -0.22 0.62 0.45 -0.87 0.00 0.00 176.83 176.82 3fex h HIS 561 N -0.11 1.14 -0.47 4.77 3.86 -1.87 0.13 115.15 122.60 3fex h HIS 561 Ca 0.20 0.03 -0.08 0.00 -1.16 0.00 0.00 60.37 59.36 3fex h HIS 561 Cb 0.42 -0.36 -0.02 0.00 1.06 0.00 0.00 27.41 28.51 3fex h HIS 561 CO -0.43 0.50 -0.01 0.77 0.86 0.00 0.00 177.93 179.62 3fex h SER 562 N 1.04 0.83 0.47 2.45 0.02 -1.16 -0.89 113.55 116.31 3fex h SER 562 Ca 0.46 -0.31 -0.06 0.00 -0.84 0.00 0.00 61.79 61.04 3fex h SER 562 Cb 0.36 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 3fex h SER 562 CO -0.23 0.94 -0.29 -0.26 -1.14 0.00 0.00 176.83 175.85 3fex h PHE 563 N 0.69 0.00 -0.00 3.45 -1.00 -0.22 -0.77 116.94 119.09 3fex h PHE 563 Ca 0.13 0.00 -0.13 0.00 2.81 0.00 0.00 57.97 60.78 3fex h PHE 563 Cb 0.53 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.07 3fex h PHE 563 CO 0.04 0.29 -0.62 0.77 -1.61 0.00 0.00 178.31 177.18 3fex h SER 564 N 0.00 0.01 0.43 2.17 0.02 -0.35 -2.30 113.55 113.53 3fex h SER 564 Ca -0.00 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.92 3fex h SER 564 Cb 0.61 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.15 3fex h SER 564 CO 0.04 0.63 -0.21 0.00 -1.14 0.00 0.00 176.83 176.15 3fex h ALA 565 N 1.37 -0.58 -0.03 3.77 0.00 0.21 0.50 119.26 124.50 3fex h ALA 565 Ca -0.01 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.73 3fex h ALA 565 Cb 1.10 0.22 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 3fex h ALA 565 CO 0.08 -0.60 0.03 -0.07 0.00 0.00 0.00 179.25 178.68 3fex h LEU 566 N -1.02 0.00 0.00 0.00 3.38 -1.35 -2.60 115.31 113.73 3fex h LEU 566 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3fex h LEU 566 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3fex h LEU 566 CO 0.10 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.63 3fex n ALA 567 N -2.47 -0.11 -0.12 1.53 0.00 -0.86 -3.25 120.51 115.23 3fex n ALA 567 Ca -0.02 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.39 3fex n ALA 567 Cb 0.12 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.54 3fex n ALA 567 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3fex n LYS 568 N -1.45 -0.12 -1.48 0.00 4.81 0.16 -0.89 118.16 119.19 3fex n LYS 568 Ca 0.00 0.85 -0.31 0.00 -0.87 0.00 0.00 58.31 57.98 3fex n LYS 568 Cb 0.00 -1.26 0.02 0.00 0.02 0.00 0.00 35.03 33.81 3fex n LYS 568 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 3fex n PHE 569 N -3.58 2.35 -0.23 5.64 3.01 -0.99 -4.60 117.46 119.07 3fex n PHE 569 Ca 0.01 -2.29 -0.07 0.00 1.01 0.00 0.00 57.45 56.11 3fex n PHE 569 Cb 0.07 -1.27 0.04 0.00 -0.01 0.00 0.00 39.48 38.31 3fex n PHE 569 CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 3fex h HIS 570 N 2.53 0.91 -0.85 1.38 2.76 -0.99 -2.82 115.15 118.07 3fex h HIS 570 Ca 0.47 -0.05 -0.00 0.00 -2.20 0.00 0.00 60.37 58.60 3fex h HIS 570 Cb 0.56 -0.28 -0.04 0.00 1.55 0.00 0.00 27.41 29.20 3fex h HIS 570 CO 1.26 0.69 0.52 0.93 -1.30 0.00 0.00 177.93 180.03 3fex h GLU 571 N 0.87 1.15 -0.24 5.26 4.39 -1.84 -0.58 114.58 123.59 3fex h GLU 571 Ca 0.22 -0.10 0.04 0.00 0.34 0.00 0.00 59.36 59.85 3fex h GLU 571 Cb 0.12 -0.24 -0.04 0.00 -0.10 0.00 0.00 28.75 28.49 3fex h GLU 571 CO -0.03 0.80 0.02 0.28 -1.16 0.00 0.00 179.01 178.92 3fex h VAL 572 N 1.17 0.85 0.26 3.13 2.07 -1.87 -1.76 116.25 120.10 3fex h VAL 572 Ca 0.31 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.78 3fex h VAL 572 Cb -0.06 0.74 -0.00 0.00 -1.52 0.00 0.00 31.29 30.45 3fex h VAL 572 CO -0.06 0.02 -0.15 -0.26 0.02 0.00 0.00 177.57 177.14 3fex h PHE 573 N 0.10 -0.38 -0.87 1.57 -1.00 -1.22 -2.63 116.94 112.50 3fex h PHE 573 Ca 0.11 -0.01 0.19 0.00 2.81 0.00 0.00 57.97 61.08 3fex h PHE 573 Cb 0.13 0.13 -0.11 0.00 3.61 0.00 0.00 35.95 39.72 3fex h PHE 573 CO -0.18 -0.23 0.41 0.87 -1.61 0.00 0.00 178.31 177.56 3fex h LYS 574 N -0.39 0.47 -0.42 1.51 1.79 -0.84 0.47 116.57 119.16 3fex h LYS 574 Ca -0.03 -0.03 -0.12 0.00 -2.18 0.00 0.00 60.65 58.29 3fex h LYS 574 Cb 0.31 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 30.85 3fex h LYS 574 CO 0.04 0.31 -0.21 1.15 -1.08 0.00 0.00 179.45 179.66 3fex h THR 575 N 0.48 1.28 0.42 -0.16 2.02 -1.20 -2.93 112.91 112.82 3fex h THR 575 Ca 0.52 -1.36 -0.02 0.00 0.77 0.00 0.00 66.41 66.31 3fex h THR 575 Cb 0.89 1.24 0.00 0.00 -1.74 0.00 0.00 68.15 68.55 3fex h THR 575 CO -0.46 0.46 -0.20 -0.07 0.37 0.00 0.00 175.52 175.62 3fex h LEU 576 N 0.72 -0.47 -4.40 2.58 3.38 -0.77 -3.28 115.31 113.06 3fex h LEU 576 Ca 0.09 -0.06 -0.38 0.00 0.09 0.00 0.00 57.88 57.62 3fex h LEU 576 Cb 0.78 0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.59 3fex h LEU 576 CO 0.06 -0.04 0.92 0.00 0.09 0.00 0.00 178.44 179.47 3fex n ALA 577 N -2.68 6.71 -0.10 1.53 0.00 0.15 -4.31 120.51 121.82 3fex n ALA 577 Ca -0.08 -2.52 -0.21 0.00 0.00 0.00 0.00 53.44 50.62 3fex n ALA 577 Cb 0.26 -2.59 -0.11 0.00 0.00 0.00 0.00 19.45 17.01 3fex n ALA 577 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3fex h GLU 578 N 3.58 0.00 -6.94 0.00 4.81 -1.58 -3.41 114.58 111.04 3fex h GLU 578 Ca 0.41 0.00 -0.46 0.00 -0.13 0.00 0.00 59.36 59.19 3fex h GLU 578 Cb 1.05 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.41 3fex h GLU 578 CO 0.76 0.97 0.28 -1.54 -0.73 0.00 0.00 179.01 178.76 3fex s SER 579 N -6.79 6.98 0.27 1.04 1.04 -1.26 -4.89 113.70 110.09 3fex s SER 579 Ca -0.28 1.62 -0.01 0.00 0.48 0.00 0.00 55.95 57.76 3fex s SER 579 Cb 0.05 -2.51 0.45 0.00 0.10 0.00 0.00 66.02 64.12 3fex s SER 579 CO 0.59 -0.26 1.86 0.44 0.98 0.00 0.00 173.24 176.85 3fex h ASP 580 N 2.26 0.99 -0.77 7.02 3.32 -1.96 0.35 116.42 127.63 3fex h ASP 580 Ca -0.48 0.02 -0.05 0.00 0.02 0.00 0.00 57.03 56.54 3fex h ASP 580 Cb 1.18 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 40.51 3fex h ASP 580 CO 0.63 0.60 0.30 -0.33 -1.72 0.00 0.00 179.24 178.71 3fex h GLU 581 N 1.10 1.16 -0.49 3.56 3.07 -1.98 -1.93 114.58 119.07 3fex h GLU 581 Ca 0.45 -0.21 -0.10 0.00 -0.50 0.00 0.00 59.36 59.00 3fex h GLU 581 Cb 0.28 -0.19 -0.02 0.00 -0.84 0.00 0.00 28.75 27.99 3fex h GLU 581 CO -0.21 0.95 -0.07 0.78 -1.40 0.00 0.00 179.01 179.06 3fex h GLY 582 N 1.15 0.99 0.40 -3.84 0.00 -1.40 -2.82 103.07 97.56 3fex h GLY 582 Ca 0.26 -0.79 0.11 0.00 0.00 0.00 0.00 47.33 46.91 3fex h GLY 582 CO -0.02 0.72 0.42 0.50 0.00 0.00 0.00 176.54 178.16 3fex h LYS 583 N 0.77 0.65 -0.08 4.80 1.57 0.09 -2.18 116.57 122.19 3fex h LYS 583 Ca 0.13 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 3fex h LYS 583 Cb 0.62 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.78 3fex h LYS 583 CO 0.04 0.43 0.04 -0.07 -0.57 0.00 0.00 179.45 179.32 3fex h LEU 584 N 0.67 0.10 -1.91 2.94 4.07 -1.22 -2.84 115.31 117.12 3fex h LEU 584 Ca 0.40 -0.10 0.08 0.00 0.08 0.00 0.00 57.88 58.35 3fex h LEU 584 Cb 0.46 -0.03 -0.02 0.00 1.08 0.00 0.00 40.66 42.16 3fex h LEU 584 CO -0.30 0.17 0.25 -0.74 -1.08 0.00 0.00 178.44 176.75 3fex h HIS 585 N 0.03 0.12 -0.31 1.13 2.76 -1.16 0.10 115.15 117.82 3fex h HIS 585 Ca 0.03 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.16 3fex h HIS 585 Cb 0.09 -0.04 -0.01 0.00 1.55 0.00 0.00 27.41 29.00 3fex h HIS 585 CO -0.04 0.06 0.05 0.28 -1.30 0.00 0.00 177.93 176.98 3fex h VAL 586 N 0.11 1.23 -0.06 5.26 2.07 -1.22 -1.34 116.25 122.31 3fex h VAL 586 Ca 0.17 -0.80 -0.00 0.00 0.82 0.00 0.00 66.70 66.88 3fex h VAL 586 Cb 0.53 1.16 -0.00 0.00 -1.52 0.00 0.00 31.29 31.45 3fex h VAL 586 CO -0.02 0.26 0.02 -0.07 0.02 0.00 0.00 177.57 177.78 3fex h LEU 587 N 0.34 0.09 -0.80 2.57 3.38 -0.89 0.50 115.31 120.50 3fex h LEU 587 Ca 0.09 -0.20 0.13 0.00 0.09 0.00 0.00 57.88 58.00 3fex h LEU 587 Cb 0.34 -0.02 -0.09 0.00 0.09 0.00 0.00 40.66 40.98 3fex h LEU 587 CO 0.01 0.26 0.40 -0.09 0.09 0.00 0.00 178.44 179.10 3fex h ARG 588 N -0.09 0.58 -0.11 1.13 2.43 -0.81 0.17 114.38 117.69 3fex h ARG 588 Ca 0.02 -0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 59.03 3fex h ARG 588 Cb 0.20 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 3fex h ARG 588 CO -0.00 0.39 -0.41 0.28 -1.51 0.00 0.00 179.97 178.72 3fex h VAL 589 N 0.60 1.38 0.00 0.20 2.07 -1.16 -2.28 116.25 117.07 3fex h VAL 589 Ca 0.42 -1.74 -0.00 0.00 0.82 0.00 0.00 66.70 66.20 3fex h VAL 589 Cb 0.55 2.18 -0.00 0.00 -1.52 0.00 0.00 31.29 32.50 3fex h VAL 589 CO -0.34 0.52 -0.00 -0.03 0.02 0.00 0.00 177.57 177.74 3fex h MET 590 N 0.04 0.00 0.07 1.57 1.85 0.18 -1.38 114.93 117.25 3fex h MET 590 Ca -0.02 0.00 -0.17 0.00 -0.61 0.00 0.00 59.70 58.90 3fex h MET 590 Cb 1.04 0.00 -0.00 0.00 0.43 0.00 0.00 31.60 33.07 3fex h MET 590 CO 0.09 0.00 -0.84 0.35 -0.40 0.00 0.00 176.91 176.10 3fex h PHE 591 N 0.00 0.27 0.00 1.39 3.57 -0.62 -3.19 116.94 118.36 3fex h PHE 591 Ca -0.00 -0.20 0.00 0.00 3.53 0.00 0.00 57.97 61.30 3fex h PHE 591 Cb 0.00 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 38.73 3fex h PHE 591 CO 0.00 1.33 0.29 0.93 -2.23 0.00 0.00 178.31 178.63 3fex h GLU 592 N -0.63 0.00 0.05 1.11 5.08 -0.66 -0.26 114.58 119.27 3fex h GLU 592 Ca -0.19 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 57.83 3fex h GLU 592 Cb 1.44 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.65 3fex h GLU 592 CO 0.02 0.00 -2.01 0.28 -1.00 0.00 0.00 179.01 176.30 3fex n VAL 593 N -2.91 1.64 -1.72 3.13 0.31 -0.98 -4.49 118.33 113.31 3fex n VAL 593 Ca -0.02 -0.72 -0.12 0.00 -0.01 0.00 0.00 64.34 63.47 3fex n VAL 593 Cb 0.34 -1.30 0.12 0.00 -0.91 0.00 0.00 33.84 32.09 3fex n VAL 593 CO 0.00 0.00 0.00 0.79 -1.32 0.00 0.00 176.83 176.30 3fex n TRP 594 N -3.21 1.64 1.46 3.52 7.02 -0.42 -1.58 117.44 125.86 3fex n TRP 594 Ca -0.29 -1.95 0.02 0.00 -1.02 0.00 0.00 57.50 54.27 3fex n TRP 594 Cb 1.06 -0.44 0.14 0.00 -2.42 0.00 0.00 31.31 29.64 3fex n TRP 594 CO 0.00 0.00 0.00 2.89 -2.02 0.00 0.00 177.69 178.56 3fex n ARG 595 N -0.94 0.73 -0.00 -0.99 1.85 -0.24 -2.24 116.66 114.83 3fex n ARG 595 Ca 0.36 0.00 0.04 0.00 -1.00 0.00 0.00 57.85 57.26 3fex n ARG 595 Cb 0.88 -1.10 -0.06 0.00 -1.05 0.00 0.00 32.46 31.13 3fex n ARG 595 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 3fex n ASN 596 N -0.60 2.22 -3.56 2.89 4.13 -1.26 -4.83 115.26 114.25 3fex n ASN 596 Ca 0.03 -0.20 -0.27 0.00 1.68 0.00 0.00 54.58 55.83 3fex n ASN 596 Cb 0.02 1.30 -0.10 0.00 -1.54 0.00 0.00 39.78 39.45 3fex n ASN 596 CO 0.00 0.00 0.00 1.57 0.28 0.00 0.00 177.26 179.11 3fex n HIS 597 N -1.64 1.50 -0.31 3.10 -0.00 -0.95 -4.25 115.22 112.67 3fex n HIS 597 Ca -0.01 -3.87 0.20 0.00 0.46 0.00 0.00 57.72 54.51 3fex n HIS 597 Cb 0.21 -0.29 0.48 0.00 -0.12 0.00 0.00 29.99 30.26 3fex n HIS 597 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 3fex h PRO 598 N 5.07 0.45 -0.80 1.57 0.11 -1.88 -0.44 132.00 136.08 3fex h PRO 598 Ca 0.19 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.26 3fex h PRO 598 Cb 0.80 -0.10 -0.04 0.00 0.11 0.00 0.00 31.00 31.78 3fex h PRO 598 CO 0.59 0.30 0.46 0.37 -0.21 0.00 0.00 178.00 179.50 3fex h GLN 599 N 0.46 1.10 -0.01 1.05 4.15 -1.93 -1.85 115.11 118.07 3fex h GLN 599 Ca 0.56 -0.12 -0.03 0.00 0.77 0.00 0.00 58.65 59.83 3fex h GLN 599 Cb 1.31 -0.22 -0.00 0.00 0.21 0.00 0.00 27.48 28.78 3fex h GLN 599 CO -0.28 0.80 -0.13 1.98 -1.93 0.00 0.00 178.83 179.27 3fex h MET 600 N 1.10 0.01 -0.19 1.69 4.05 -1.44 -2.45 114.93 117.70 3fex h MET 600 Ca 0.28 -0.00 -0.16 0.00 -0.28 0.00 0.00 59.70 59.54 3fex h MET 600 Cb 0.00 -0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.80 3fex h MET 600 CO -0.05 0.15 -0.50 0.82 0.23 0.00 0.00 176.91 177.56 3fex h ILE 601 N 0.01 1.32 -0.50 1.77 2.04 -1.26 -2.85 117.51 118.03 3fex h ILE 601 Ca 0.00 -1.73 0.03 0.00 1.00 0.00 0.00 64.86 64.16 3fex h ILE 601 Cb 0.24 1.89 -0.03 0.00 -0.74 0.00 0.00 36.82 38.18 3fex h ILE 601 CO 0.02 0.54 0.29 0.00 0.00 0.00 0.00 178.15 179.00 3fex h ALA 602 N 0.58 0.64 -0.20 1.87 0.00 -0.93 0.12 119.26 121.35 3fex h ALA 602 Ca -0.01 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.71 3fex h ALA 602 Cb 1.11 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 3fex h ALA 602 CO 0.11 -0.02 -0.62 -0.39 0.00 0.00 0.00 179.25 178.33 3fex h VAL 603 N 0.58 1.31 -0.23 0.00 -1.51 -1.59 -1.18 116.25 113.62 3fex h VAL 603 Ca 0.20 -1.86 -0.15 0.00 -1.23 0.00 0.00 66.70 63.66 3fex h VAL 603 Cb 0.03 1.82 -0.01 0.00 -2.13 0.00 0.00 31.29 31.00 3fex h VAL 603 CO -0.10 0.59 -0.46 -0.07 -1.23 0.00 0.00 177.57 176.30 3fex h LEU 604 N 0.50 0.65 -1.33 4.19 3.38 -1.31 0.11 115.31 121.51 3fex h LEU 604 Ca -0.01 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 57.62 3fex h LEU 604 Cb 1.21 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.77 3fex h LEU 604 CO 0.12 1.01 -0.16 0.58 0.09 0.00 0.00 178.44 180.09 3fex h VAL 605 N 0.48 0.44 0.02 1.22 2.07 -0.66 -1.66 116.25 118.15 3fex h VAL 605 Ca 0.03 -0.89 -0.00 0.00 0.82 0.00 0.00 66.70 66.65 3fex h VAL 605 Cb 0.99 1.64 0.00 0.00 -1.52 0.00 0.00 31.29 32.40 3fex h VAL 605 CO 0.09 0.16 -0.01 -0.78 0.02 0.00 0.00 177.57 177.05 3fex h ASP 606 N 0.00 -0.02 0.64 0.57 1.82 -0.67 -3.25 116.42 115.51 3fex h ASP 606 Ca -0.00 -0.64 0.00 0.00 -0.39 0.00 0.00 57.03 56.00 3fex h ASP 606 Cb 0.63 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.64 3fex h ASP 606 CO 0.02 0.78 0.00 0.29 -1.61 0.00 0.00 179.24 178.72 3fex n LYS 607 N -4.70 0.01 0.00 0.28 4.76 0.34 -1.64 118.16 117.22 3fex n LYS 607 Ca -0.07 0.20 0.12 0.00 -2.87 0.00 0.00 58.31 55.69 3fex n LYS 607 Cb 0.32 -1.52 0.32 0.00 -1.84 0.00 0.00 35.03 32.31 3fex n LYS 607 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 3fex n MET 608 N -1.54 0.13 -0.12 1.97 2.81 -0.63 -3.25 117.12 116.48 3fex n MET 608 Ca 0.04 -0.07 -0.16 0.00 -1.81 0.00 0.00 57.70 55.71 3fex n MET 608 Cb 0.22 -1.50 -0.13 0.00 -0.71 0.00 0.00 33.22 31.10 3fex n MET 608 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 3fex n ILE 609 N -1.38 1.46 1.05 2.02 5.41 -0.65 0.35 119.36 127.61 3fex n ILE 609 Ca 0.07 -0.65 0.13 0.00 1.00 0.00 0.00 62.75 63.29 3fex n ILE 609 Cb 0.33 -1.14 0.61 0.00 -0.71 0.00 0.00 39.64 38.73 3fex n ILE 609 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 3fex n ARG 610 N -3.11 0.13 -0.11 0.38 1.74 -0.90 -2.68 116.66 112.12 3fex n ARG 610 Ca -0.42 0.04 0.03 0.00 -0.77 0.00 0.00 57.85 56.73 3fex n ARG 610 Cb 1.04 -1.50 0.09 0.00 -1.02 0.00 0.00 32.46 31.07 3fex n ARG 610 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3fex n THR 611 N -1.43 1.04 -1.03 0.55 -2.24 -1.20 -4.98 114.28 105.00 3fex n THR 611 Ca 0.09 -1.04 -0.01 0.00 -2.27 0.00 0.00 64.05 60.82 3fex n THR 611 Cb 0.28 0.47 -0.00 0.00 -2.10 0.00 0.00 70.33 68.98 3fex n THR 611 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fex n GLN 612 N 0.05 -1.58 0.12 -0.78 6.02 -1.09 -4.84 117.38 115.27 3fex n GLN 612 Ca 0.07 0.44 -0.13 0.00 -0.01 0.00 0.00 57.00 57.37 3fex n GLN 612 Cb 0.37 -4.64 -0.06 0.00 1.02 0.00 0.00 30.24 26.93 3fex n GLN 612 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 3fex h ILE 613 N 0.00 0.55 -1.59 5.09 2.04 -1.77 -3.44 117.51 118.39 3fex h ILE 613 Ca -0.02 0.00 -0.62 0.00 1.00 0.00 0.00 64.86 65.22 3fex h ILE 613 Cb 0.82 0.55 -0.13 0.00 -0.74 0.00 0.00 36.82 37.32 3fex h ILE 613 CO 0.03 0.00 -0.51 0.68 0.00 0.00 0.00 178.15 178.34 3fex s VAL 614 N -6.10 0.86 0.33 1.67 -7.23 0.15 -4.79 120.40 105.29 3fex s VAL 614 Ca -0.15 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.06 3fex s VAL 614 Cb 0.07 -2.26 -0.02 0.00 0.56 0.00 0.00 36.38 34.74 3fex s VAL 614 CO 0.65 0.00 0.16 -0.90 -0.31 0.00 0.00 175.10 174.70 3fex n ASP 615 N -1.30 0.66 -0.08 4.85 5.68 -1.26 -4.18 116.55 120.91 3fex n ASP 615 Ca -0.12 -2.87 -0.13 0.00 -0.50 0.00 0.00 54.79 51.17 3fex n ASP 615 Cb 0.66 1.05 -0.05 0.00 -1.14 0.00 0.00 41.12 41.64 3fex n ASP 615 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3fex h ALA 617 N 0.68 2.23 0.04 0.00 0.00 -1.96 -0.02 119.26 120.23 3fex h ALA 617 Ca 0.04 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.72 3fex h ALA 617 Cb 0.76 0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.58 3fex h ALA 617 CO 0.06 -0.31 -0.88 0.00 0.00 0.00 0.00 179.25 178.12 3fex h ALA 618 N 1.85 0.05 -0.48 0.00 0.00 -1.89 -3.27 119.26 115.52 3fex h ALA 618 Ca 0.14 -0.66 -0.03 0.00 0.00 0.00 0.00 54.91 54.36 3fex h ALA 618 Cb 0.51 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 3fex h ALA 618 CO -0.01 0.51 0.18 0.28 0.00 0.00 0.00 179.25 180.22 3fex h VAL 619 N 0.08 1.21 -0.36 0.00 2.07 -0.61 -2.31 116.25 116.33 3fex h VAL 619 Ca -0.12 -0.66 0.08 0.00 0.82 0.00 0.00 66.70 66.81 3fex h VAL 619 Cb 1.58 0.76 -0.08 0.00 -1.52 0.00 0.00 31.29 32.02 3fex h VAL 619 CO 0.17 0.25 -0.23 0.00 0.02 0.00 0.00 177.57 177.78 3fex h ALA 620 N 1.03 -0.01 -0.36 1.67 0.00 -1.15 -0.91 119.26 119.53 3fex h ALA 620 Ca 0.16 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 3fex h ALA 620 Cb 0.21 0.52 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 3fex h ALA 620 CO -0.01 -0.62 0.21 -0.91 0.00 0.00 0.00 179.25 177.92 3fex h ASN 621 N -0.18 0.44 0.05 0.00 2.35 -1.58 -2.54 115.58 114.12 3fex h ASN 621 Ca 0.18 -0.07 -0.00 0.00 -0.55 0.00 0.00 56.30 55.85 3fex h ASN 621 Cb 0.45 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.71 3fex h ASN 621 CO -0.46 0.38 -0.01 -0.25 -1.65 0.00 0.00 177.43 175.44 3fex h TRP 622 N 0.46 0.00 -0.04 1.19 7.01 -0.79 0.30 115.95 124.08 3fex h TRP 622 Ca 0.13 0.00 -0.25 0.00 2.11 0.00 0.00 58.89 60.88 3fex h TRP 622 Cb 0.03 0.00 0.02 0.00 -2.10 0.00 0.00 29.16 27.11 3fex h TRP 622 CO -0.03 0.01 -0.97 0.82 -2.79 0.00 0.00 178.44 175.48 3fex h ILE 623 N 0.00 1.29 -0.39 2.65 1.08 -0.77 -3.22 117.51 118.15 3fex h ILE 623 Ca -0.00 -2.20 0.00 0.00 -0.39 0.00 0.00 64.86 62.27 3fex h ILE 623 Cb 0.04 2.29 0.00 0.00 -3.07 0.00 0.00 36.82 36.07 3fex h ILE 623 CO 0.00 0.68 0.00 0.49 -0.69 0.00 0.00 178.15 178.63 3fex n PHE 624 N -3.86 1.21 -2.37 1.37 3.01 -0.03 -4.71 117.46 112.08 3fex n PHE 624 Ca -0.10 -0.44 -0.24 0.00 1.01 0.00 0.00 57.45 57.69 3fex n PHE 624 Cb 0.84 -0.29 0.06 0.00 -0.01 0.00 0.00 39.48 40.08 3fex n PHE 624 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 3fex s SER 625 N -0.60 4.90 0.39 4.37 1.04 -0.44 -4.96 113.70 118.40 3fex s SER 625 Ca 0.35 0.24 0.20 0.00 0.48 0.00 0.00 55.95 57.22 3fex s SER 625 Cb 0.25 -0.93 0.71 0.00 0.10 0.00 0.00 66.02 66.14 3fex s SER 625 CO 0.13 -1.49 1.74 0.77 0.98 0.00 0.00 173.24 175.37 3fex h SER 626 N -0.39 0.00 0.71 7.02 4.64 -1.91 -2.35 113.55 121.27 3fex h SER 626 Ca -0.43 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.84 3fex h SER 626 Cb 1.30 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.39 3fex h SER 626 CO 0.56 0.32 -0.25 -0.33 -0.87 0.00 0.00 176.83 176.26 3fex h GLU 627 N 0.00 0.00 -0.57 4.77 3.07 -1.94 -2.83 114.58 117.07 3fex h GLU 627 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3fex h GLU 627 Cb 0.89 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.80 3fex h GLU 627 CO 0.04 0.25 0.00 1.28 -1.40 0.00 0.00 179.01 179.18 3fex n LEU 628 N -3.55 3.56 -0.01 1.33 7.99 -0.92 -4.31 117.00 121.09 3fex n LEU 628 Ca -0.01 -1.95 0.14 0.00 -0.01 0.00 0.00 56.01 54.19 3fex n LEU 628 Cb 0.40 -0.38 0.66 0.00 -0.11 0.00 0.00 43.42 43.98 3fex n LEU 628 CO 0.34 0.88 0.96 -1.20 -1.51 0.00 0.00 177.39 176.85 3fex n SER 629 N 1.25 0.05 -0.01 -1.43 7.64 -0.98 -0.39 113.62 119.76 3fex n SER 629 Ca 0.20 0.15 -0.22 0.00 1.01 0.00 0.00 58.87 60.01 3fex n SER 629 Cb 0.55 -0.36 -0.14 0.00 -1.01 0.00 0.00 64.21 63.26 3fex n SER 629 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 3fex h ARG 630 N 0.03 0.23 -0.48 1.43 3.08 -1.76 -3.37 114.38 113.54 3fex h ARG 630 Ca 0.00 -0.39 0.00 0.00 0.07 0.00 0.00 59.98 59.66 3fex h ARG 630 Cb 0.41 0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.60 3fex h ARG 630 CO 0.00 1.19 0.00 -0.25 -1.07 0.00 0.00 179.97 179.84 3fex n ASP 631 N -3.77 4.29 0.17 7.04 8.00 -1.22 -4.57 116.55 126.50 3fex n ASP 631 Ca -0.30 -2.56 0.18 0.00 0.71 0.00 0.00 54.79 52.83 3fex n ASP 631 Cb 0.95 -0.51 0.80 0.00 -0.02 0.00 0.00 41.12 42.34 3fex n ASP 631 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 3fex h PHE 632 N 3.08 0.00 0.00 1.24 3.57 -0.88 0.52 116.94 124.47 3fex h PHE 632 Ca 0.00 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.39 3fex h PHE 632 Cb 1.37 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 40.09 3fex h PHE 632 CO 0.63 0.00 -1.06 1.79 -2.23 0.00 0.00 178.31 177.44 3fex h THR 633 N 0.00 0.45 -3.57 4.41 1.35 -1.84 -3.48 112.91 110.22 3fex h THR 633 Ca 0.12 -1.79 -0.47 0.00 -0.55 0.00 0.00 66.41 63.72 3fex h THR 633 Cb 0.73 2.01 0.21 0.00 -1.73 0.00 0.00 68.15 69.37 3fex h THR 633 CO -0.00 0.26 0.07 -0.13 -0.25 0.00 0.00 175.52 175.47 3fex s ARG 634 N -3.04 -0.38 -0.00 4.72 0.52 0.17 -4.96 118.95 115.99 3fex s ARG 634 Ca -0.00 1.11 -0.20 0.00 -0.52 0.00 0.00 55.73 56.12 3fex s ARG 634 Cb 0.08 -1.60 -0.26 0.00 0.52 0.00 0.00 34.95 33.70 3fex s ARG 634 CO 0.79 -3.44 1.06 1.25 0.02 0.00 0.00 175.30 174.97 3fex h LEU 635 N -2.43 0.56 -2.34 2.53 5.85 -1.92 -3.31 115.31 114.26 3fex h LEU 635 Ca -0.56 -0.81 0.03 0.00 0.84 0.00 0.00 57.88 57.38 3fex h LEU 635 Cb 1.31 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 42.16 3fex h LEU 635 CO 0.47 1.31 0.13 2.19 -0.34 0.00 0.00 178.44 182.19 3fex h PHE 636 N -0.11 0.00 0.00 1.25 -0.00 -1.93 0.78 116.94 116.93 3fex h PHE 636 Ca -0.10 0.00 -0.04 0.00 -0.00 0.00 0.00 57.97 57.83 3fex h PHE 636 Cb 1.46 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 37.40 3fex h PHE 636 CO 0.15 0.00 -0.18 0.28 -0.00 0.00 0.00 178.31 178.56 3fex h VAL 637 N 0.00 1.05 0.00 0.88 2.07 -1.85 -2.96 116.25 115.44 3fex h VAL 637 Ca 0.05 -0.63 -0.37 0.00 0.82 0.00 0.00 66.70 66.57 3fex h VAL 637 Cb 0.30 1.35 -0.07 0.00 -1.52 0.00 0.00 31.29 31.35 3fex h VAL 637 CO -0.00 0.18 -2.39 0.79 0.02 0.00 0.00 177.57 176.16 3fex n TRP 638 N -4.22 0.00 1.01 1.57 7.02 0.21 -3.19 117.44 119.84 3fex n TRP 638 Ca -0.02 0.00 0.04 0.00 -1.02 0.00 0.00 57.50 56.49 3fex n TRP 638 Cb 0.25 -1.00 0.21 0.00 -2.42 0.00 0.00 31.31 28.35 3fex n TRP 638 CO 0.00 0.00 0.00 0.39 -2.02 0.00 0.00 177.69 176.06 3fex n GLU 639 N -2.76 0.50 -0.03 -0.99 1.02 -0.85 -0.41 120.64 117.13 3fex n GLU 639 Ca -0.33 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 56.78 3fex n GLU 639 Cb 1.16 -1.22 -0.06 0.00 -0.02 0.00 0.00 31.44 31.30 3fex n GLU 639 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3fex n ILE 640 N -0.72 0.42 -0.03 -3.67 5.41 -1.12 -4.41 119.36 115.23 3fex n ILE 640 Ca 0.05 -0.29 -0.19 0.00 1.00 0.00 0.00 62.75 63.33 3fex n ILE 640 Cb 0.02 -0.64 -0.13 0.00 -0.71 0.00 0.00 39.64 38.18 3fex n ILE 640 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 3fex h LEU 641 N 0.00 0.21 -0.62 1.39 5.85 -1.21 -2.63 115.31 118.30 3fex h LEU 641 Ca -0.17 -0.86 0.00 0.00 0.84 0.00 0.00 57.88 57.69 3fex h LEU 641 Cb 1.28 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.24 3fex h LEU 641 CO 0.01 1.34 0.00 1.41 -0.34 0.00 0.00 178.44 180.86 3fex n HIS 642 N -4.28 0.00 0.00 1.25 8.25 0.45 -2.07 115.22 118.82 3fex n HIS 642 Ca -0.19 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.27 3fex n HIS 642 Cb 0.71 -0.06 0.00 0.00 1.12 0.00 0.00 29.99 31.76 3fex n HIS 642 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3fex n SER 643 N -0.17 4.68 0.08 0.41 2.88 -1.24 -4.31 113.62 115.95 3fex n SER 643 Ca 0.00 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.43 3fex n SER 643 Cb 0.15 0.76 -0.13 0.00 -0.75 0.00 0.00 64.21 64.24 3fex n SER 643 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 3fex h THR 644 N 0.00 1.59 -0.03 2.46 2.02 -1.04 -3.10 112.91 114.81 3fex h THR 644 Ca 0.00 -3.23 -0.25 0.00 0.77 0.00 0.00 66.41 63.70 3fex h THR 644 Cb 0.34 2.89 0.01 0.00 -1.74 0.00 0.00 68.15 69.65 3fex h THR 644 CO 0.00 0.93 -0.96 0.40 0.37 0.00 0.00 175.52 176.26 3fex h ILE 645 N 0.04 1.31 -0.66 3.11 2.04 -1.68 -2.97 117.51 118.70 3fex h ILE 645 Ca -0.08 -2.24 0.08 0.00 1.00 0.00 0.00 64.86 63.62 3fex h ILE 645 Cb 1.88 2.30 -0.06 0.00 -0.74 0.00 0.00 36.82 40.19 3fex h ILE 645 CO 0.17 0.69 0.33 -0.09 0.00 0.00 0.00 178.15 179.24 3fex h ARG 646 N 0.38 0.57 -0.54 2.37 2.43 -1.75 -0.06 114.38 117.78 3fex h ARG 646 Ca -0.10 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.01 3fex h ARG 646 Cb 1.60 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.99 3fex h ARG 646 CO 0.18 0.38 0.20 0.87 -1.51 0.00 0.00 179.97 180.09 3fex h LYS 647 N 0.58 0.78 -0.65 0.20 1.57 -1.55 0.21 116.57 117.72 3fex h LYS 647 Ca 0.31 -0.12 -0.06 0.00 -1.87 0.00 0.00 60.65 58.92 3fex h LYS 647 Cb 0.29 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.44 3fex h LYS 647 CO -0.24 0.65 0.17 1.98 -0.57 0.00 0.00 179.45 181.44 3fex h MET 648 N 0.77 1.02 -0.10 3.15 4.05 -1.03 -1.83 114.93 120.97 3fex h MET 648 Ca 0.18 -0.24 -0.10 0.00 -0.28 0.00 0.00 59.70 59.27 3fex h MET 648 Cb 0.17 -0.14 0.00 0.00 -0.80 0.00 0.00 31.60 30.83 3fex h MET 648 CO -0.02 0.91 -0.32 -0.91 0.23 0.00 0.00 176.91 176.81 3fex h ASN 649 N 0.95 0.45 0.29 1.39 2.35 -0.35 -1.19 115.58 119.47 3fex h ASN 649 Ca 0.20 -0.61 0.00 0.00 -0.55 0.00 0.00 56.30 55.34 3fex h ASN 649 Cb 0.34 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.58 3fex h ASN 649 CO -0.00 0.98 0.00 0.11 -1.65 0.00 0.00 177.43 176.87 3fex h LYS 650 N -0.06 0.00 0.07 0.81 1.57 -0.59 0.15 116.57 118.53 3fex h LYS 650 Ca -0.01 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.42 3fex h LYS 650 Cb 0.95 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.22 3fex h LYS 650 CO 0.07 0.00 -1.97 1.58 -0.57 0.00 0.00 179.45 178.56 3fex n HIS 651 N -2.41 1.01 -0.13 -1.35 -0.00 -0.69 -2.58 115.22 109.07 3fex n HIS 651 Ca -0.00 0.26 -0.11 0.00 0.46 0.00 0.00 57.72 58.32 3fex n HIS 651 Cb 0.12 -1.15 -0.02 0.00 -0.12 0.00 0.00 29.99 28.82 3fex n HIS 651 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 3fex h VAL 652 N 0.04 1.28 -0.20 3.57 2.07 -0.19 -2.96 116.25 119.86 3fex h VAL 652 Ca -0.40 -1.25 -0.16 0.00 0.82 0.00 0.00 66.70 65.70 3fex h VAL 652 Cb 2.03 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 33.06 3fex h VAL 652 CO 0.07 0.42 -0.55 -0.07 0.02 0.00 0.00 177.57 177.46 3fex h LEU 653 N 0.60 0.68 -0.70 2.57 3.38 -0.91 -2.48 115.31 118.45 3fex h LEU 653 Ca 0.09 -0.36 0.10 0.00 0.09 0.00 0.00 57.88 57.80 3fex h LEU 653 Cb 0.68 -0.20 -0.08 0.00 0.09 0.00 0.00 40.66 41.16 3fex h LEU 653 CO 0.05 1.09 0.33 0.50 0.09 0.00 0.00 178.44 180.49 3fex h LYS 654 N 0.47 0.53 0.00 1.13 3.64 -1.44 0.13 116.57 121.04 3fex h LYS 654 Ca 0.01 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3fex h LYS 654 Cb 1.10 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.80 3fex h LYS 654 CO 0.11 0.35 -0.00 0.82 -2.27 0.00 0.00 179.45 178.46 3fex h ILE 655 N 0.55 1.54 -0.71 2.00 2.04 -1.48 -0.96 117.51 120.48 3fex h ILE 655 Ca 0.35 -1.62 0.16 0.00 1.00 0.00 0.00 64.86 64.75 3fex h ILE 655 Cb 0.41 2.63 -0.12 0.00 -0.74 0.00 0.00 36.82 39.00 3fex h ILE 655 CO -0.30 0.42 0.02 1.56 0.00 0.00 0.00 178.15 179.85 3fex h GLN 656 N -0.70 0.12 0.16 2.37 4.20 -1.18 0.47 115.11 120.55 3fex h GLN 656 Ca -0.00 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 3fex h GLN 656 Cb 0.69 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.44 3fex h GLN 656 CO 0.00 0.08 -0.08 -0.22 -0.67 0.00 0.00 178.83 177.94 3fex h LYS 657 N 0.12 -0.21 0.00 1.46 1.63 -0.77 -0.21 116.57 118.59 3fex h LYS 657 Ca 0.38 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.20 3fex h LYS 657 Cb 0.66 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.33 3fex h LYS 657 CO -0.60 -0.13 0.00 1.49 -3.45 0.00 0.00 179.45 176.75 3fex h GLU 658 N -0.23 0.00 0.09 1.90 4.81 0.49 -0.60 114.58 121.04 3fex h GLU 658 Ca -0.02 0.00 -0.35 0.00 -0.13 0.00 0.00 59.36 58.86 3fex h GLU 658 Cb 0.18 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.53 3fex h GLU 658 CO 0.04 0.00 -1.93 -0.11 -0.73 0.00 0.00 179.01 176.28 3fex n LEU 659 N -2.74 2.19 0.00 1.64 7.94 0.14 -3.37 117.00 122.81 3fex n LEU 659 Ca -0.02 0.26 0.10 0.00 -1.11 0.00 0.00 56.01 55.24 3fex n LEU 659 Cb 0.08 -0.79 0.45 0.00 0.53 0.00 0.00 43.42 43.69 3fex n LEU 659 CO 0.17 0.74 0.82 -0.62 -1.11 0.00 0.00 177.39 177.39 3fex n GLU 660 N -3.37 0.07 0.00 1.96 1.02 -0.13 -1.55 120.64 118.64 3fex n GLU 660 Ca -0.28 0.14 0.08 0.00 -0.02 0.00 0.00 57.16 57.08 3fex n GLU 660 Cb 1.05 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.93 3fex n GLU 660 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3fex n GLU 661 N -1.45 1.58 -0.05 3.49 1.02 -0.45 -3.53 120.64 121.26 3fex n GLU 661 Ca 0.06 -0.52 -0.06 0.00 -0.02 0.00 0.00 57.16 56.62 3fex n GLU 661 Cb 0.22 -1.30 -0.14 0.00 -0.02 0.00 0.00 31.44 30.20 3fex n GLU 661 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3fex n ALA 662 N -0.60 1.72 -0.01 0.62 0.00 -0.82 -3.08 120.51 118.35 3fex n ALA 662 Ca 0.06 -0.98 -0.18 0.00 0.00 0.00 0.00 53.44 52.34 3fex n ALA 662 Cb 0.32 -0.54 -0.09 0.00 0.00 0.00 0.00 19.45 19.15 3fex n ALA 662 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3fex h LYS 663 N 0.00 0.63 -0.19 0.00 1.57 -1.46 -2.91 116.57 114.21 3fex h LYS 663 Ca -0.36 -0.57 0.01 0.00 -1.87 0.00 0.00 60.65 57.86 3fex h LYS 663 Cb 1.94 0.14 -0.01 0.00 0.08 0.00 0.00 32.23 34.37 3fex h LYS 663 CO 0.04 1.19 0.10 0.93 -0.57 0.00 0.00 179.45 181.14 3fex h GLU 664 N 0.27 0.21 -0.30 3.15 5.08 -1.73 -1.85 114.58 119.41 3fex h GLU 664 Ca -0.07 -0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.37 3fex h GLU 664 Cb 1.38 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.57 3fex h GLU 664 CO 0.15 0.14 0.35 -0.22 -1.00 0.00 0.00 179.01 178.43 3fex h LYS 665 N 0.21 0.00 -4.50 2.33 3.64 -1.56 -3.00 116.57 113.69 3fex h LYS 665 Ca 0.08 0.00 -0.71 0.00 -1.27 0.00 0.00 60.65 58.74 3fex h LYS 665 Cb 0.01 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 31.74 3fex h LYS 665 CO -0.05 0.00 2.49 -0.11 -2.27 0.00 0.00 179.45 179.51 3fex n LEU 666 N -3.69 6.12 -2.60 5.20 0.00 -0.69 -5.08 117.00 116.26 3fex n LEU 666 Ca 0.05 -4.21 -0.04 0.00 0.00 0.00 0.00 56.01 51.81 3fex n LEU 666 Cb 0.50 -1.65 0.10 0.00 0.00 0.00 0.00 43.42 42.37 3fex n LEU 666 CO 0.26 0.85 0.55 0.00 0.00 0.00 0.00 177.39 179.06 3fex n ALA 667 N 6.28 1.03 0.00 1.96 0.00 -1.14 -4.98 120.51 123.66 3fex n ALA 667 Ca 0.47 -0.99 0.00 0.00 0.00 0.00 0.00 53.44 52.92 3fex n ALA 667 Cb 0.41 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 18.95 3fex n ALA 667 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3fex n ARG 683 N -0.84 0.00 -0.33 0.00 0.63 -1.26 -5.20 116.66 109.65 3fex n ARG 683 Ca -0.11 0.00 0.22 0.00 -0.92 0.00 0.00 57.85 57.05 3fex n ARG 683 Cb 0.81 0.00 0.50 0.00 0.45 0.00 0.00 32.46 34.21 3fex n ARG 683 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 3fex h LYS 684 N 0.00 0.40 0.22 -0.14 1.57 -2.05 -1.86 116.57 114.72 3fex h LYS 684 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3fex h LYS 684 Cb 0.00 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.19 3fex h LYS 684 CO 0.00 0.26 -0.45 -0.44 -0.57 0.00 0.00 179.45 178.25 3fex h ASP 685 N 0.41 -1.32 -0.41 0.86 3.32 -2.03 0.68 116.42 117.93 3fex h ASP 685 Ca 0.61 0.13 0.04 0.00 0.02 0.00 0.00 57.03 57.83 3fex h ASP 685 Cb 1.50 0.47 -0.04 0.00 0.22 0.00 0.00 39.33 41.48 3fex h ASP 685 CO -0.32 -0.52 0.17 1.23 -1.72 0.00 0.00 179.24 178.08 3fex h GLY 686 N -0.73 0.54 1.27 2.75 0.00 -1.76 0.52 103.07 105.66 3fex h GLY 686 Ca -0.02 -0.11 0.08 0.00 0.00 0.00 0.00 47.33 47.28 3fex h GLY 686 CO -0.18 0.06 0.31 -2.08 0.00 0.00 0.00 176.54 174.64 3fex h VAL 687 N 0.35 0.91 0.10 4.60 2.07 -1.21 0.17 116.25 123.24 3fex h VAL 687 Ca 0.18 -0.09 -0.29 0.00 0.82 0.00 0.00 66.70 67.32 3fex h VAL 687 Cb 0.14 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 3fex h VAL 687 CO -0.16 0.05 -1.50 0.25 0.02 0.00 0.00 177.57 176.22 3fex h LEU 688 N 0.27 0.33 -2.51 2.57 5.85 0.10 -3.22 115.31 118.69 3fex h LEU 688 Ca 0.20 -0.83 0.00 0.00 0.84 0.00 0.00 57.88 58.10 3fex h LEU 688 Cb 0.46 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.38 3fex h LEU 688 CO -0.04 1.65 0.00 1.05 -0.34 0.00 0.00 178.44 180.76 3fex h GLU 689 N -0.33 0.00 0.04 1.25 4.11 0.33 -1.47 114.58 118.51 3fex h GLU 689 Ca -0.33 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.09 3fex h GLU 689 Cb 1.75 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.00 3fex h GLU 689 CO 0.03 0.00 -0.02 1.49 0.07 0.00 0.00 179.01 180.57 3fex h GLU 690 N 0.00 -0.06 -0.07 1.06 4.57 -0.75 -2.78 114.58 116.56 3fex h GLU 690 Ca 0.00 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.17 3fex h GLU 690 Cb 0.15 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.75 3fex h GLU 690 CO 0.00 0.50 -0.04 1.96 -1.18 0.00 0.00 179.01 180.25 3fex h GLN 691 N -0.66 0.09 0.48 1.92 4.20 -1.42 -2.25 115.11 117.47 3fex h GLN 691 Ca -0.01 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.68 3fex h GLN 691 Cb 0.58 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.34 3fex h GLN 691 CO 0.01 0.14 -0.32 0.82 -0.67 0.00 0.00 178.83 178.81 3fex h ILE 692 N 0.09 0.34 -0.28 2.54 1.08 -1.22 0.94 117.51 121.00 3fex h ILE 692 Ca 0.02 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.55 3fex h ILE 692 Cb 0.13 0.34 -0.05 0.00 -3.07 0.00 0.00 36.82 34.17 3fex h ILE 692 CO 0.01 0.00 -0.06 -0.33 -0.69 0.00 0.00 178.15 177.08 3fex h GLU 693 N -0.77 0.01 0.00 2.37 5.08 -1.20 -1.22 114.58 118.85 3fex h GLU 693 Ca -0.05 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 3fex h GLU 693 Cb 0.64 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 3fex h GLU 693 CO 0.04 0.01 -0.19 -0.09 -1.00 0.00 0.00 179.01 177.77 3fex h ARG 694 N 0.01 0.00 0.00 2.33 2.43 -1.23 -0.91 114.38 117.02 3fex h ARG 694 Ca 0.14 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 3fex h ARG 694 Cb 0.20 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 3fex h ARG 694 CO -0.28 0.19 -0.29 -0.07 -1.51 0.00 0.00 179.97 178.01 3fex h LEU 695 N 0.00 0.00 0.06 3.80 3.38 -0.26 -2.72 115.31 119.57 3fex h LEU 695 Ca -0.00 -0.01 -0.25 0.00 0.09 0.00 0.00 57.88 57.70 3fex h LEU 695 Cb 0.40 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 3fex h LEU 695 CO 0.02 0.01 -1.23 -0.61 0.09 0.00 0.00 178.44 176.73 3fex h GLN 696 N 0.00 0.13 0.00 1.13 4.15 -0.00 -2.24 115.11 118.28 3fex h GLN 696 Ca 0.00 -0.23 -0.10 0.00 0.77 0.00 0.00 58.65 59.10 3fex h GLN 696 Cb 0.95 0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.71 3fex h GLN 696 CO 0.00 1.05 -0.45 1.49 -1.93 0.00 0.00 178.83 178.99 3fex h GLU 697 N 0.04 0.00 -0.21 1.69 4.81 -1.40 -1.81 114.58 117.69 3fex h GLU 697 Ca -0.11 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 58.93 3fex h GLU 697 Cb 1.90 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 31.28 3fex h GLU 697 CO 0.16 0.45 -0.61 -0.22 -0.73 0.00 0.00 179.01 178.07 3fex h LYS 698 N 0.00 0.72 0.33 1.92 3.64 -1.48 -2.47 116.57 119.23 3fex h LYS 698 Ca -0.00 -0.49 -0.02 0.00 -1.27 0.00 0.00 60.65 58.87 3fex h LYS 698 Cb 1.19 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 3fex h LYS 698 CO 0.06 1.11 -0.16 0.28 -2.27 0.00 0.00 179.45 178.47 3fex h VAL 699 N 0.53 0.68 -0.23 2.00 2.07 -1.28 -1.08 116.25 118.95 3fex h VAL 699 Ca -0.00 -0.37 0.07 0.00 0.82 0.00 0.00 66.70 67.21 3fex h VAL 699 Cb 1.19 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 3fex h VAL 699 CO 0.12 0.07 0.22 -0.33 0.02 0.00 0.00 177.57 177.68 3fex h GLU 700 N -0.66 0.00 0.00 1.57 5.08 -1.36 0.15 114.58 119.36 3fex h GLU 700 Ca -0.05 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3fex h GLU 700 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 3fex h GLU 700 CO 0.08 0.00 -0.00 0.77 -1.00 0.00 0.00 179.01 178.85 3fex h SER 701 N 0.00 -0.00 -1.01 1.42 0.02 -1.31 -2.82 113.55 109.84 3fex h SER 701 Ca 0.11 -0.84 0.04 0.00 -0.84 0.00 0.00 61.79 60.26 3fex h SER 701 Cb 0.55 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.03 3fex h SER 701 CO -0.00 0.91 0.66 0.00 -1.14 0.00 0.00 176.83 177.26 3fex h ALA 702 N -0.13 1.34 -0.02 3.77 0.00 -0.52 -0.10 119.26 123.59 3fex h ALA 702 Ca -0.00 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 3fex h ALA 702 Cb 0.84 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3fex h ALA 702 CO 0.00 0.56 -0.22 1.96 0.00 0.00 0.00 179.25 181.55 3fex h GLN 703 N 1.28 0.04 0.43 0.00 4.20 -0.84 -1.92 115.11 118.30 3fex h GLN 703 Ca 0.40 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 59.08 3fex h GLN 703 Cb -0.00 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 3fex h GLN 703 CO -0.13 0.26 -0.21 1.03 -0.67 0.00 0.00 178.83 179.12 3fex h SER 704 N 0.03 -0.49 -0.71 1.46 0.87 -0.78 -2.41 113.55 111.52 3fex h SER 704 Ca 0.00 -0.08 0.08 0.00 -1.23 0.00 0.00 61.79 60.56 3fex h SER 704 Cb 0.42 0.13 -0.05 0.00 -0.44 0.00 0.00 62.40 62.46 3fex h SER 704 CO 0.03 -0.06 0.47 -0.08 -0.53 0.00 0.00 176.83 176.66 3fex h GLU 705 N -1.05 0.65 -0.17 2.24 4.81 -1.27 0.46 114.58 120.25 3fex h GLU 705 Ca -0.06 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.14 3fex h GLU 705 Cb 0.54 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 3fex h GLU 705 CO 0.10 0.43 0.07 0.37 -0.73 0.00 0.00 179.01 179.25 3fex h GLN 706 N 0.67 0.16 -0.63 1.92 4.15 -1.37 -0.62 115.11 119.40 3fex h GLN 706 Ca 0.32 -0.01 -0.07 0.00 0.77 0.00 0.00 58.65 59.66 3fex h GLN 706 Cb 0.37 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 28.00 3fex h GLN 706 CO -0.11 0.11 0.10 -0.22 -1.93 0.00 0.00 178.83 176.77 3fex h LYS 707 N 0.16 1.02 -0.10 1.69 3.64 -0.60 -2.45 116.57 119.94 3fex h LYS 707 Ca 0.07 -0.26 0.01 0.00 -1.27 0.00 0.00 60.65 59.20 3fex h LYS 707 Cb 0.03 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 3fex h LYS 707 CO -0.06 0.94 0.01 -0.97 -2.27 0.00 0.00 179.45 177.11 3fex h ASN 708 N 0.96 -0.01 -0.10 4.20 -1.24 -0.70 0.14 115.58 118.83 3fex h ASN 708 Ca 0.19 0.02 0.04 0.00 0.71 0.00 0.00 56.30 57.26 3fex h ASN 708 Cb 0.42 0.03 -0.06 0.00 0.73 0.00 0.00 38.32 39.43 3fex h ASN 708 CO 0.01 0.01 -0.38 0.25 -1.29 0.00 0.00 177.43 176.03 3fex h LEU 709 N 0.06 -1.19 -1.40 0.34 5.85 -0.87 0.31 115.31 118.41 3fex h LEU 709 Ca 0.05 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.93 3fex h LEU 709 Cb 0.04 0.49 -0.03 0.00 0.37 0.00 0.00 40.66 41.53 3fex h LEU 709 CO -0.07 -0.41 0.35 -0.26 -0.34 0.00 0.00 178.44 177.72 3fex h PHE 710 N -0.48 0.73 -0.16 1.25 -1.00 -1.26 -0.89 116.94 115.13 3fex h PHE 710 Ca 0.08 0.01 -0.13 0.00 2.81 0.00 0.00 57.97 60.74 3fex h PHE 710 Cb 0.61 -0.24 -0.01 0.00 3.61 0.00 0.00 35.95 39.91 3fex h PHE 710 CO -0.45 0.48 -0.45 -0.07 -1.61 0.00 0.00 178.31 176.21 3fex h LEU 711 N 0.78 0.43 -0.49 1.54 4.07 -0.11 -2.79 115.31 118.74 3fex h LEU 711 Ca 0.21 -0.20 -0.08 0.00 0.08 0.00 0.00 57.88 57.89 3fex h LEU 711 Cb -0.05 -0.12 -0.02 0.00 1.08 0.00 0.00 40.66 41.55 3fex h LEU 711 CO -0.04 0.83 -0.01 0.58 -1.08 0.00 0.00 178.44 178.72 3fex h VAL 712 N 0.33 1.26 0.01 1.22 2.07 0.44 -2.19 116.25 119.39 3fex h VAL 712 Ca 0.02 -1.08 0.03 0.00 0.82 0.00 0.00 66.70 66.49 3fex h VAL 712 Cb 0.92 1.00 -0.05 0.00 -1.52 0.00 0.00 31.29 31.64 3fex h VAL 712 CO 0.08 0.38 -0.34 0.40 0.02 0.00 0.00 177.57 178.11 3fex h ILE 713 N 0.72 0.27 -0.25 4.57 1.08 -0.98 -1.42 117.51 121.51 3fex h ILE 713 Ca 0.14 0.00 -0.08 0.00 -0.39 0.00 0.00 64.86 64.53 3fex h ILE 713 Cb 0.52 0.27 -0.01 0.00 -3.07 0.00 0.00 36.82 34.53 3fex h ILE 713 CO 0.03 0.00 -0.19 -0.26 -0.69 0.00 0.00 178.15 177.04 3fex h PHE 714 N -0.50 0.48 -0.77 1.37 0.04 -1.49 -0.70 116.94 115.37 3fex h PHE 714 Ca 0.06 -0.08 0.02 0.00 2.80 0.00 0.00 57.97 60.77 3fex h PHE 714 Cb 0.58 -0.12 -0.04 0.00 2.20 0.00 0.00 35.95 38.56 3fex h PHE 714 CO -0.36 0.60 0.50 1.96 -0.60 0.00 0.00 178.31 180.41 3fex h GLN 715 N 0.40 0.96 -0.02 1.51 4.20 -0.87 0.42 115.11 121.71 3fex h GLN 715 Ca 0.07 -0.06 -0.21 0.00 0.06 0.00 0.00 58.65 58.51 3fex h GLN 715 Cb 0.56 -0.22 -0.00 0.00 0.30 0.00 0.00 27.48 28.12 3fex h GLN 715 CO 0.04 0.63 -0.87 0.00 -0.67 0.00 0.00 178.83 177.96 3fex h ARG 716 N 0.99 0.37 0.42 1.46 2.47 -0.78 -2.13 114.38 117.18 3fex h ARG 716 Ca 0.30 -0.37 -0.02 0.00 -1.26 0.00 0.00 59.98 58.62 3fex h ARG 716 Cb -0.04 0.10 0.00 0.00 -1.65 0.00 0.00 29.97 28.38 3fex h ARG 716 CO -0.09 1.04 -0.20 0.74 0.56 0.00 0.00 179.97 182.02 3fex h PHE 717 N 0.22 -0.53 -0.68 3.04 0.04 -0.79 -1.55 116.94 116.69 3fex h PHE 717 Ca -0.06 -0.01 0.18 0.00 2.80 0.00 0.00 57.97 60.88 3fex h PHE 717 Cb 1.49 0.17 -0.03 0.00 2.20 0.00 0.00 35.95 39.78 3fex h PHE 717 CO 0.05 -0.20 0.48 0.82 -0.60 0.00 0.00 178.31 178.86 3fex h ILE 718 N -0.90 0.70 0.41 -0.55 2.04 -0.24 0.22 117.51 119.19 3fex h ILE 718 Ca -0.06 -0.03 -0.02 0.00 1.00 0.00 0.00 64.86 65.75 3fex h ILE 718 Cb 0.56 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 37.23 3fex h ILE 718 CO 0.10 0.02 -0.20 -0.03 0.00 0.00 0.00 178.15 178.04 3fex h MET 719 N 0.10 -0.53 0.00 2.37 4.05 -1.25 -1.84 114.93 117.83 3fex h MET 719 Ca 0.33 0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.78 3fex h MET 719 Cb 1.16 0.12 -0.00 0.00 -0.80 0.00 0.00 31.60 32.08 3fex h MET 719 CO -0.04 -0.35 -0.05 -0.84 0.23 0.00 0.00 176.91 175.86 3fex h ILE 720 N -1.08 0.20 0.08 1.77 3.07 -0.88 -1.05 117.51 119.62 3fex h ILE 720 Ca -0.06 -0.43 -0.16 0.00 1.55 0.00 0.00 64.86 65.77 3fex h ILE 720 Cb 0.42 1.35 0.00 0.00 -0.27 0.00 0.00 36.82 38.32 3fex h ILE 720 CO 0.09 0.05 -0.78 -0.07 -1.05 0.00 0.00 178.15 176.39 3fex h LEU 721 N 0.00 0.26 -1.47 0.16 3.38 -1.05 -2.75 115.31 113.84 3fex h LEU 721 Ca -0.00 -0.89 0.02 0.00 0.09 0.00 0.00 57.88 57.10 3fex h LEU 721 Cb 0.34 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 3fex h LEU 721 CO 0.01 1.35 0.37 0.74 0.09 0.00 0.00 178.44 181.00 3fex h THR 722 N -0.61 1.11 -0.09 0.22 2.02 -1.08 -1.53 112.91 112.95 3fex h THR 722 Ca -0.17 -0.24 -0.01 0.00 0.77 0.00 0.00 66.41 66.76 3fex h THR 722 Cb 1.45 0.33 -0.00 0.00 -1.74 0.00 0.00 68.15 68.19 3fex h THR 722 CO 0.04 0.13 0.02 -0.08 0.37 0.00 0.00 175.52 176.00 3fex h GLU 723 N 0.71 0.14 0.00 6.66 4.22 -1.28 0.51 114.58 125.55 3fex h GLU 723 Ca 0.22 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.62 3fex h GLU 723 Cb -0.00 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.23 3fex h GLU 723 CO -0.05 0.34 0.00 1.25 -2.18 0.00 0.00 179.01 178.37 3fex h HIS 724 N -0.07 0.00 0.00 0.92 2.76 -1.13 -1.70 115.15 115.92 3fex h HIS 724 Ca 0.03 0.00 -0.13 0.00 -2.20 0.00 0.00 60.37 58.07 3fex h HIS 724 Cb 0.26 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.20 3fex h HIS 724 CO 0.01 0.00 -0.87 -0.07 -1.30 0.00 0.00 177.93 175.70 3fex h LEU 725 N 0.00 0.00 -2.01 0.26 3.38 -0.95 -3.08 115.31 112.91 3fex h LEU 725 Ca 0.00 -0.34 0.16 0.00 0.09 0.00 0.00 57.88 57.80 3fex h LEU 725 Cb 0.31 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 3fex h LEU 725 CO 0.00 1.16 0.43 0.58 0.09 0.00 0.00 178.44 180.70 3fex h VAL 726 N -1.00 0.65 0.15 1.22 2.07 -0.86 -0.25 116.25 118.23 3fex h VAL 726 Ca -0.19 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 3fex h VAL 726 Cb 0.95 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 3fex h VAL 726 CO -0.12 0.00 -0.07 -0.09 0.02 0.00 0.00 177.57 177.31 3fex h ARG 727 N 0.00 -0.19 -0.91 1.57 2.43 -1.45 -3.15 114.38 112.68 3fex h ARG 727 Ca 0.27 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.49 3fex h ARG 727 Cb 1.13 0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 30.67 3fex h ARG 727 CO -0.00 -0.13 0.60 0.00 -1.51 0.00 0.00 179.97 178.93 3fex n GLU 729 N -4.44 0.20 -0.12 0.00 1.02 -0.12 -1.75 120.64 115.43 3fex n GLU 729 Ca 0.12 0.48 -0.25 0.00 -0.02 0.00 0.00 57.16 57.49 3fex n GLU 729 Cb 0.10 -1.92 -0.09 0.00 -0.02 0.00 0.00 31.44 29.51 3fex n GLU 729 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 3fex n THR 730 N -2.29 1.35 0.48 2.62 -1.04 -0.21 -4.45 114.28 110.74 3fex n THR 730 Ca 0.01 -0.37 0.04 0.00 -2.04 0.00 0.00 64.05 61.70 3fex n THR 730 Cb 0.19 -1.76 0.23 0.00 -1.82 0.00 0.00 70.33 67.17 3fex n THR 730 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3fex n ASP 731 N -3.97 0.00 -2.32 8.00 10.43 0.75 -4.81 116.55 124.63 3fex n ASP 731 Ca -0.47 -0.20 -0.12 0.00 2.57 0.00 0.00 54.79 56.57 3fex n ASP 731 Cb 0.86 -0.03 0.05 0.00 1.84 0.00 0.00 41.12 43.83 3fex n ASP 731 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3fex n GLY 732 N -0.52 0.05 3.46 0.44 0.00 -1.09 -5.05 105.19 102.47 3fex n GLY 732 Ca 0.06 -0.15 -0.22 0.00 0.00 0.00 0.00 46.02 45.71 3fex n GLY 732 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3fex s THR 733 N -3.19 1.46 0.40 2.61 -4.23 -0.72 -5.08 115.64 106.89 3fex s THR 733 Ca 0.18 -2.05 -0.25 0.00 -1.18 0.00 0.00 61.69 58.40 3fex s THR 733 Cb -0.08 -2.66 -0.09 0.00 1.34 0.00 0.00 72.50 71.01 3fex s THR 733 CO 0.42 -0.14 1.10 -0.55 -0.54 0.00 0.00 174.62 174.92 3fex s SER 734 N -3.49 6.63 -0.08 3.99 0.15 -1.26 -4.45 113.70 115.20 3fex s SER 734 Ca 0.33 2.18 -0.23 0.00 0.70 0.00 0.00 55.95 58.93 3fex s SER 734 Cb 0.07 -2.60 -0.30 0.00 -1.71 0.00 0.00 66.02 61.48 3fex s SER 734 CO 0.14 -0.59 0.82 0.58 1.20 0.00 0.00 173.24 175.40 3fex h VAL 735 N 2.24 1.52 -0.43 4.45 2.07 -1.95 -3.43 116.25 120.72 3fex h VAL 735 Ca -0.48 -2.48 -0.10 0.00 0.82 0.00 0.00 66.70 64.45 3fex h VAL 735 Cb 1.23 3.18 -0.02 0.00 -1.52 0.00 0.00 31.29 34.16 3fex h VAL 735 CO 0.62 0.68 0.27 -0.76 0.02 0.00 0.00 177.57 178.40 3fex s LEU 736 N -7.93 2.90 0.26 2.57 1.43 -1.26 -4.73 118.68 111.91 3fex s LEU 736 Ca -0.16 -0.34 0.09 0.00 -1.03 0.00 0.00 54.13 52.69 3fex s LEU 736 Cb 0.00 -2.56 -0.04 0.00 0.03 0.00 0.00 46.19 43.62 3fex s LEU 736 CO 0.79 -3.63 0.07 0.42 0.23 0.00 0.00 176.35 174.23 3fex s THR 737 N 13.59 3.84 0.53 5.49 -4.23 -1.26 -4.98 115.64 128.62 3fex s THR 737 Ca 0.84 -1.70 0.26 0.00 -1.18 0.00 0.00 61.69 59.91 3fex s THR 737 Cb -0.10 -3.06 0.41 0.00 1.34 0.00 0.00 72.50 71.09 3fex s THR 737 CO 0.07 -0.35 1.98 -0.65 -0.54 0.00 0.00 174.62 175.13 3fex h PRO 738 N 1.77 0.00 0.11 3.99 0.11 -1.94 -0.28 132.00 135.76 3fex h PRO 738 Ca -0.46 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.48 3fex h PRO 738 Cb 1.24 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.37 3fex h PRO 738 CO 0.60 0.00 -0.72 2.35 -0.21 0.00 0.00 178.00 180.03 3fex h TRP 739 N 0.00 0.51 -0.77 0.65 7.01 -1.94 -2.28 115.95 119.13 3fex h TRP 739 Ca 0.27 -0.36 0.03 0.00 2.11 0.00 0.00 58.89 60.95 3fex h TRP 739 Cb 1.10 -0.03 -0.04 0.00 -2.10 0.00 0.00 29.16 28.09 3fex h TRP 739 CO 0.00 1.26 0.51 -0.92 -2.79 0.00 0.00 178.44 176.49 3fex h TYR 740 N -0.38 0.91 -0.01 2.65 3.20 -1.61 -1.72 116.97 120.01 3fex h TYR 740 Ca -0.12 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.75 3fex h TYR 740 Cb 1.54 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 39.51 3fex h TYR 740 CO 0.20 0.53 -0.09 -0.22 -1.64 0.00 0.00 178.16 176.94 3fex h LYS 741 N 0.95 0.08 0.00 1.82 3.64 -1.17 -0.32 116.57 121.57 3fex h LYS 741 Ca 0.30 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 3fex h LYS 741 Cb 0.04 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 3fex h LYS 741 CO -0.09 0.77 0.00 0.09 -2.27 0.00 0.00 179.45 177.95 3fex n ASN 742 N -4.66 0.00 -0.00 4.20 3.02 -0.86 -2.59 115.26 114.37 3fex n ASN 742 Ca -0.09 -0.85 -0.01 0.00 -0.03 0.00 0.00 54.58 53.61 3fex n ASN 742 Cb 0.40 0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.56 3fex n ASN 742 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3fex h ILE 744 N -0.01 1.07 0.00 0.00 6.09 -0.93 -0.07 117.51 123.66 3fex h ILE 744 Ca -0.02 -0.22 -0.14 0.00 -1.37 0.00 0.00 64.86 63.12 3fex h ILE 744 Cb 1.02 0.37 -0.02 0.00 0.47 0.00 0.00 36.82 38.66 3fex h ILE 744 CO -0.00 0.12 -0.64 -0.33 -3.07 0.00 0.00 178.15 174.22 3fex h GLU 745 N 0.64 0.00 0.00 2.19 5.08 -1.75 -1.78 114.58 118.96 3fex h GLU 745 Ca 0.22 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.51 3fex h GLU 745 Cb 0.08 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 3fex h GLU 745 CO -0.06 0.64 -0.32 0.00 -1.00 0.00 0.00 179.01 178.28 3fex h ARG 746 N 0.00 0.00 0.05 2.33 2.47 -1.27 0.69 114.38 118.65 3fex h ARG 746 Ca -0.01 0.00 -0.19 0.00 -1.26 0.00 0.00 59.98 58.53 3fex h ARG 746 Cb 1.35 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 29.69 3fex h ARG 746 CO 0.08 0.32 -0.76 1.25 0.56 0.00 0.00 179.97 181.42 3fex h LEU 747 N 0.00 0.58 -1.03 3.04 5.85 -1.01 -3.18 115.31 119.56 3fex h LEU 747 Ca -0.00 -0.82 -0.04 0.00 0.84 0.00 0.00 57.88 57.86 3fex h LEU 747 Cb 0.68 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 3fex h LEU 747 CO 0.04 1.33 0.18 -0.61 -0.34 0.00 0.00 178.44 179.04 3fex h GLN 748 N -0.10 0.88 -0.17 1.25 4.15 -0.97 -2.67 115.11 117.48 3fex h GLN 748 Ca -0.11 -0.16 -0.01 0.00 0.77 0.00 0.00 58.65 59.13 3fex h GLN 748 Cb 1.49 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 29.03 3fex h GLN 748 CO 0.15 0.76 0.04 0.37 -1.93 0.00 0.00 178.83 178.22 3fex h GLN 749 N 0.85 0.23 -0.66 1.69 4.15 0.33 -1.44 115.11 120.27 3fex h GLN 749 Ca 0.19 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.57 3fex h GLN 749 Cb 0.25 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 27.86 3fex h GLN 749 CO -0.01 0.22 0.34 0.82 -1.93 0.00 0.00 178.83 178.27 3fex h ILE 750 N 0.24 1.22 -0.17 2.39 1.08 -1.45 -0.93 117.51 119.89 3fex h ILE 750 Ca 0.06 -0.59 -0.03 0.00 -0.39 0.00 0.00 64.86 63.91 3fex h ILE 750 Cb 0.10 0.39 -0.01 0.00 -3.07 0.00 0.00 36.82 34.23 3fex h ILE 750 CO -0.00 0.25 -0.02 -0.26 -0.69 0.00 0.00 178.15 177.43 3fex h PHE 751 N 0.91 0.34 0.32 1.37 0.04 -1.32 -2.81 116.94 115.79 3fex h PHE 751 Ca 0.23 -0.07 -0.02 0.00 2.80 0.00 0.00 57.97 60.92 3fex h PHE 751 Cb 0.09 -0.09 0.00 0.00 2.20 0.00 0.00 35.95 38.15 3fex h PHE 751 CO -0.00 0.55 -0.15 -0.07 -0.60 0.00 0.00 178.31 178.03 3fex h LEU 752 N 0.04 -0.36 0.00 1.54 3.38 -1.21 -0.06 115.31 118.63 3fex h LEU 752 Ca 0.05 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3fex h LEU 752 Cb 0.42 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3fex h LEU 752 CO 0.01 -0.12 0.00 0.00 0.09 0.00 0.00 178.44 178.42 3fex n GLN 753 N -5.20 0.30 -2.79 1.13 6.02 -0.36 -3.48 117.38 112.99 3fex n GLN 753 Ca -0.10 0.07 -0.01 0.00 -0.01 0.00 0.00 57.00 56.95 3fex n GLN 753 Cb 0.23 -1.50 0.07 0.00 1.02 0.00 0.00 30.24 30.06 3fex n GLN 753 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 3fex n HIS 754 N -1.31 0.48 0.08 1.08 8.25 -1.06 -4.96 115.22 117.78 3fex n HIS 754 Ca 0.10 -2.09 -0.13 0.00 -0.26 0.00 0.00 57.72 55.35 3fex n HIS 754 Cb 0.19 0.18 -0.08 0.00 1.12 0.00 0.00 29.99 31.40 3fex n HIS 754 CO 0.00 0.00 0.00 1.12 0.64 0.00 0.00 176.34 178.10 3fex h HIS 755 N 2.28 -0.15 -1.00 4.41 2.07 -1.04 -2.66 115.15 119.07 3fex h HIS 755 Ca -0.21 -0.00 0.28 0.00 -2.85 0.00 0.00 60.37 57.59 3fex h HIS 755 Cb 1.27 0.05 -0.14 0.00 2.57 0.00 0.00 27.41 31.17 3fex h HIS 755 CO 0.37 0.05 0.58 1.96 -3.07 0.00 0.00 177.93 177.82 3fex h GLN 756 N -0.34 0.43 0.08 5.12 4.20 -1.90 -0.59 115.11 122.11 3fex h GLN 756 Ca -0.02 -0.03 -0.16 0.00 0.06 0.00 0.00 58.65 58.51 3fex h GLN 756 Cb 0.28 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.96 3fex h GLN 756 CO 0.03 0.29 -0.76 0.82 -0.67 0.00 0.00 178.83 178.53 3fex h ILE 757 N 0.45 1.42 0.00 2.54 2.04 -1.95 -3.29 117.51 118.71 3fex h ILE 757 Ca 0.69 -2.41 -0.00 0.00 1.00 0.00 0.00 64.86 64.13 3fex h ILE 757 Cb 1.45 3.04 -0.00 0.00 -0.74 0.00 0.00 36.82 40.57 3fex h ILE 757 CO -0.54 0.64 -0.01 0.40 0.00 0.00 0.00 178.15 178.63 3fex h ILE 758 N -0.61 0.24 0.00 -0.67 2.04 -1.03 -0.59 117.51 116.89 3fex h ILE 758 Ca -0.16 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.60 3fex h ILE 758 Cb 1.45 1.07 0.00 0.00 -0.74 0.00 0.00 36.82 38.60 3fex h ILE 758 CO 0.05 0.01 0.00 0.00 0.00 0.00 0.00 178.15 178.21 3fex n GLN 759 N -3.40 0.74 -0.01 2.37 6.02 -0.29 -2.35 117.38 120.46 3fex n GLN 759 Ca -0.03 0.00 0.05 0.00 -0.01 0.00 0.00 57.00 57.01 3fex n GLN 759 Cb 0.11 -1.15 -0.08 0.00 1.02 0.00 0.00 30.24 30.14 3fex n GLN 759 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3fex n GLN 760 N -0.24 0.38 -0.53 -1.09 6.02 -0.23 -4.51 117.38 117.17 3fex n GLN 760 Ca 0.00 -0.09 0.09 0.00 -0.01 0.00 0.00 57.00 56.99 3fex n GLN 760 Cb 0.07 -1.25 0.32 0.00 1.02 0.00 0.00 30.24 30.41 3fex n GLN 760 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3fex n TYR 761 N -1.88 1.28 -0.25 1.08 0.53 -0.99 -4.68 117.16 112.25 3fex n TYR 761 Ca -0.02 -0.62 0.02 0.00 -1.02 0.00 0.00 57.90 56.26 3fex n TYR 761 Cb 0.29 -0.21 0.10 0.00 -1.03 0.00 0.00 39.34 38.49 3fex n TYR 761 CO 0.00 0.00 0.00 0.52 -1.02 0.00 0.00 176.86 176.36 3fex h MET 762 N 3.65 0.02 0.96 -0.72 2.86 -1.79 0.85 114.93 120.76 3fex h MET 762 Ca 0.00 -0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.59 3fex h MET 762 Cb 1.34 -0.00 0.01 0.00 0.06 0.00 0.00 31.60 33.00 3fex h MET 762 CO 0.19 0.01 -0.48 0.28 1.06 0.00 0.00 176.91 177.96 3fex h VAL 763 N 0.02 0.02 -0.35 -2.22 2.07 -1.95 0.20 116.25 114.03 3fex h VAL 763 Ca 0.36 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.95 3fex h VAL 763 Cb 0.57 0.02 -0.09 0.00 -1.52 0.00 0.00 31.29 30.27 3fex h VAL 763 CO -0.73 0.00 -0.35 0.74 0.02 0.00 0.00 177.57 177.25 3fex h THR 764 N -1.32 0.21 -0.30 2.57 2.02 -1.77 -1.73 112.91 112.59 3fex h THR 764 Ca -0.13 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.07 3fex h THR 764 Cb 1.02 0.21 -0.03 0.00 -1.74 0.00 0.00 68.15 67.61 3fex h THR 764 CO 0.20 0.00 0.14 -0.07 0.37 0.00 0.00 175.52 176.16 3fex h LEU 765 N -0.30 0.20 -2.34 2.58 3.38 -0.79 -0.03 115.31 118.01 3fex h LEU 765 Ca 0.15 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 3fex h LEU 765 Cb 0.55 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 3fex h LEU 765 CO -0.51 0.15 -0.04 -0.33 0.09 0.00 0.00 178.44 177.80 3fex h GLU 766 N 0.30 0.00 0.00 1.13 5.08 -0.46 -0.01 114.58 120.61 3fex h GLU 766 Ca 0.12 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.45 3fex h GLU 766 Cb 0.05 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 3fex h GLU 766 CO -0.09 0.04 -1.93 0.09 -1.00 0.00 0.00 179.01 176.12 3fex n ASN 767 N -3.56 0.58 0.03 1.42 3.02 -0.70 -4.34 115.26 111.71 3fex n ASN 767 Ca -0.02 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.52 3fex n ASN 767 Cb 0.15 1.77 -0.00 0.00 -0.61 0.00 0.00 39.78 41.08 3fex n ASN 767 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3fex n LEU 768 N -2.23 0.79 0.00 3.41 4.77 -0.08 -4.94 117.00 118.73 3fex n LEU 768 Ca -0.07 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 3fex n LEU 768 Cb 0.57 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 3fex n LEU 768 CO 0.40 -0.47 0.00 0.18 -1.33 0.00 0.00 177.39 176.17 3fex n LEU 769 N -3.38 1.07 -4.40 2.23 7.99 -0.60 -4.70 117.00 115.21 3fex n LEU 769 Ca -0.01 0.31 -0.45 0.00 -0.01 0.00 0.00 56.01 55.84 3fex n LEU 769 Cb 0.20 -0.32 -0.02 0.00 -0.11 0.00 0.00 43.42 43.17 3fex n LEU 769 CO 0.01 -0.32 0.80 -0.36 -1.51 0.00 0.00 177.39 176.01 3fex s PHE 770 N -0.63 3.52 0.45 -1.77 0.40 -0.12 -4.93 117.98 114.90 3fex s PHE 770 Ca 0.00 -1.82 0.07 0.00 -0.60 0.00 0.00 56.93 54.58 3fex s PHE 770 Cb 0.00 -4.07 -0.01 0.00 0.51 0.00 0.00 43.02 39.45 3fex s PHE 770 CO 0.00 -1.24 0.35 0.95 0.70 0.00 0.00 175.22 175.98 3fex s THR 771 N 1.24 2.29 -0.42 0.64 -4.23 -1.26 -4.37 115.64 109.52 3fex s THR 771 Ca 0.28 -1.45 0.19 0.00 -1.18 0.00 0.00 61.69 59.52 3fex s THR 771 Cb -0.07 -2.75 0.19 0.00 1.34 0.00 0.00 72.50 71.21 3fex s THR 771 CO -0.08 0.00 1.57 0.00 -0.54 0.00 0.00 174.62 175.57 3fex n ALA 772 N -1.56 1.23 -0.17 3.99 0.00 -1.26 -1.23 120.51 121.51 3fex n ALA 772 Ca 0.01 0.13 0.06 0.00 0.00 0.00 0.00 53.44 53.65 3fex n ALA 772 Cb 0.63 -1.29 0.28 0.00 0.00 0.00 0.00 19.45 19.07 3fex n ALA 772 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3fex n GLU 773 N -2.11 3.33 -3.83 0.00 0.00 -1.26 -4.90 120.64 111.87 3fex n GLU 773 Ca -0.00 -2.21 -0.34 0.00 0.00 0.00 0.00 57.16 54.61 3fex n GLU 773 Cb 0.09 -1.84 -0.05 0.00 0.00 0.00 0.00 31.44 29.63 3fex n GLU 773 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 3fex s LEU 774 N -1.67 4.37 0.01 -1.84 2.96 -0.36 -5.03 118.68 117.11 3fex s LEU 774 Ca 0.39 0.45 -0.38 0.00 -0.22 0.00 0.00 54.13 54.38 3fex s LEU 774 Cb 0.27 -2.64 -0.17 0.00 0.50 0.00 0.00 46.19 44.15 3fex s LEU 774 CO 0.16 0.26 1.40 -0.67 -1.32 0.00 0.00 176.35 176.18 3fex n ASP 775 N 1.03 1.70 -0.32 3.68 -0.08 -1.26 -4.60 116.55 116.70 3fex n ASP 775 Ca -0.11 1.11 0.16 0.00 -1.51 0.00 0.00 54.79 54.44 3fex n ASP 775 Cb 0.53 -1.17 0.34 0.00 2.34 0.00 0.00 41.12 43.17 3fex n ASP 775 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3fex h PRO 776 N 4.97 0.40 0.00 -0.67 0.11 -1.95 0.21 132.00 135.07 3fex h PRO 776 Ca -0.48 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.58 3fex h PRO 776 Cb 1.34 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 3fex h PRO 776 CO 0.81 0.26 -0.15 0.45 -0.21 0.00 0.00 178.00 179.16 3fex h HIS 777 N 0.41 0.00 0.00 0.65 3.86 -2.00 0.73 115.15 118.81 3fex h HIS 777 Ca 0.60 0.00 -0.31 0.00 -1.16 0.00 0.00 60.37 59.50 3fex h HIS 777 Cb 1.18 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 29.60 3fex h HIS 777 CO -0.10 0.15 -2.02 -0.89 0.86 0.00 0.00 177.93 175.93 3fex n ILE 778 N -3.67 1.43 0.10 2.45 5.41 0.45 -4.08 119.36 121.45 3fex n ILE 778 Ca -0.02 -0.81 -0.04 0.00 1.00 0.00 0.00 62.75 62.88 3fex n ILE 778 Cb 0.27 -0.71 0.06 0.00 -0.71 0.00 0.00 39.64 38.54 3fex n ILE 778 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 3fex h LEU 779 N 0.00 0.07 -0.63 1.39 6.46 -0.39 -3.19 115.31 119.01 3fex h LEU 779 Ca -0.39 -0.05 -0.06 0.00 -0.12 0.00 0.00 57.88 57.26 3fex h LEU 779 Cb 2.06 -0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 41.95 3fex h LEU 779 CO 0.05 0.80 0.17 0.00 -0.62 0.00 0.00 178.44 178.85 3fex h ALA 780 N 1.20 0.83 -0.06 1.25 0.00 -1.03 -1.88 119.26 119.56 3fex h ALA 780 Ca -0.01 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.69 3fex h ALA 780 Cb 1.34 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 3fex h ALA 780 CO 0.10 0.52 0.05 0.28 0.00 0.00 0.00 179.25 180.21 3fex h VAL 781 N 0.91 0.74 0.13 0.00 2.07 -1.70 0.71 116.25 119.12 3fex h VAL 781 Ca 0.20 0.00 -0.31 0.00 0.82 0.00 0.00 66.70 67.41 3fex h VAL 781 Cb 0.33 0.96 -0.00 0.00 -1.52 0.00 0.00 31.29 31.05 3fex h VAL 781 CO -0.00 0.00 -1.57 0.15 0.02 0.00 0.00 177.57 176.17 3fex h PHE 782 N 0.00 0.51 -0.46 1.57 3.57 -1.56 -3.27 116.94 117.29 3fex h PHE 782 Ca 0.03 -0.37 -0.07 0.00 3.53 0.00 0.00 57.97 61.09 3fex h PHE 782 Cb 0.14 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.84 3fex h PHE 782 CO 0.00 1.43 0.01 1.96 -2.23 0.00 0.00 178.31 179.49 3fex h GLN 783 N 0.08 0.76 0.00 1.11 4.20 -0.41 -1.17 115.11 119.67 3fex h GLN 783 Ca -0.26 -0.19 -0.01 0.00 0.06 0.00 0.00 58.65 58.25 3fex h GLN 783 Cb 2.03 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 29.72 3fex h GLN 783 CO 0.17 0.76 -0.04 1.96 -0.67 0.00 0.00 178.83 181.00 3fex h GLN 784 N 0.71 0.00 -0.15 1.46 4.20 -1.02 -2.49 115.11 117.82 3fex h GLN 784 Ca 0.14 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.66 3fex h GLN 784 Cb 0.42 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.21 3fex h GLN 784 CO 0.02 0.04 -0.66 0.35 -0.67 0.00 0.00 178.83 177.91 3fex h PHE 785 N 0.00 0.96 0.00 2.96 3.57 -1.28 -3.15 116.94 120.00 3fex h PHE 785 Ca -0.00 -0.41 -0.00 0.00 3.53 0.00 0.00 57.97 61.09 3fex h PHE 785 Cb 0.08 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 38.67 3fex h PHE 785 CO 0.00 1.23 -0.01 0.00 -2.23 0.00 0.00 178.31 177.30 3fex h ALA 787 N 1.99 0.92 -0.90 0.00 0.00 -1.49 -3.08 119.26 116.71 3fex h ALA 787 Ca -0.00 -0.38 0.14 0.00 0.00 0.00 0.00 54.91 54.67 3fex h ALA 787 Cb 0.03 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.68 3fex h ALA 787 CO 0.00 0.52 0.58 -0.07 0.00 0.00 0.00 179.25 180.28 3fex h LEU 788 N 0.00 0.68 -5.41 0.00 3.38 -1.50 -3.10 115.31 109.35 3fex h LEU 788 Ca -0.00 0.04 -0.41 0.00 0.09 0.00 0.00 57.88 57.60 3fex h LEU 788 Cb 1.00 -0.09 -0.40 0.00 0.09 0.00 0.00 40.66 41.26 3fex h LEU 788 CO 0.05 0.35 -1.20 0.00 0.09 0.00 0.00 178.44 177.73 3fex n GLN 789 N -4.57 1.07 0.00 1.13 6.02 -1.23 -4.22 117.38 115.58 3fex n GLN 789 Ca 0.17 -3.31 0.00 0.00 -0.01 0.00 0.00 57.00 53.86 3fex n GLN 789 Cb 0.45 -1.44 0.00 0.00 1.02 0.00 0.00 30.24 30.28 3fex n GLN 789 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05