#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ofx s MET 24 N 0.00 0.13 0.11 -0.41 -1.94 -1.26 -5.13 119.30 110.80 2ofx s MET 24 Ca 0.00 0.25 -0.31 0.00 -1.71 0.00 0.00 55.69 53.92 2ofx s MET 24 Cb 0.00 -0.02 -0.07 0.00 2.01 0.00 0.00 34.83 36.74 2ofx s MET 24 CO 0.00 -0.07 1.32 0.00 -0.01 0.00 0.00 175.02 176.26 2ofx s ALA 25 N 0.48 3.52 0.12 3.03 0.00 -1.26 -5.02 121.76 122.63 2ofx s ALA 25 Ca -0.03 1.03 0.08 0.00 0.00 0.00 0.00 51.96 53.04 2ofx s ALA 25 Cb -0.05 -3.50 -0.04 0.00 0.00 0.00 0.00 23.12 19.53 2ofx s ALA 25 CO -0.02 -0.55 -0.18 0.95 0.00 0.00 0.00 175.76 175.96 2ofx s THR 26 N 0.99 1.60 -1.47 0.00 -4.23 -1.26 -4.82 115.64 106.45 2ofx s THR 26 Ca 0.62 -1.62 -0.08 0.00 -1.18 0.00 0.00 61.69 59.43 2ofx s THR 26 Cb -0.35 -1.55 0.06 0.00 1.34 0.00 0.00 72.50 72.00 2ofx s THR 26 CO 0.31 -0.19 0.77 0.59 -0.54 0.00 0.00 174.62 175.55 2ofx n ASN 27 N 0.85 -2.74 -4.68 3.99 4.13 -1.26 -4.98 115.26 110.58 2ofx n ASN 27 Ca -0.18 -0.87 -0.32 0.00 1.68 0.00 0.00 54.58 54.90 2ofx n ASN 27 Cb 0.55 -3.61 -0.09 0.00 -1.54 0.00 0.00 39.78 35.09 2ofx n ASN 27 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 2ofx s VAL 28 N -3.53 4.08 -0.05 2.41 -7.23 -1.26 -5.12 120.40 109.70 2ofx s VAL 28 Ca 0.37 -0.73 0.04 0.00 -1.81 0.00 0.00 61.98 59.85 2ofx s VAL 28 Cb -0.19 -2.85 -0.00 0.00 0.56 0.00 0.00 36.38 33.90 2ofx s VAL 28 CO 0.85 0.30 -0.16 -0.89 -0.31 0.00 0.00 175.10 174.89 2ofx s THR 29 N -1.15 1.35 0.08 5.32 2.01 -1.26 -5.10 115.64 116.89 2ofx s THR 29 Ca 0.21 -0.66 -0.35 0.00 0.31 0.00 0.00 61.69 61.20 2ofx s THR 29 Cb -0.12 -1.17 -0.14 0.00 0.01 0.00 0.00 72.50 71.08 2ofx s THR 29 CO 0.12 0.39 1.57 0.00 -0.69 0.00 0.00 174.62 176.02 2ofx n TYR 30 N 3.26 2.07 -3.65 4.92 9.36 -1.26 -4.99 117.16 126.87 2ofx n TYR 30 Ca -0.19 0.34 -0.39 0.00 3.32 0.00 0.00 57.90 60.98 2ofx n TYR 30 Cb 0.53 -2.50 -0.12 0.00 -0.63 0.00 0.00 39.34 36.62 2ofx n TYR 30 CO 0.00 0.00 0.00 -0.65 0.22 0.00 0.00 176.86 176.43 2ofx s GLN 31 N 1.44 2.98 0.35 2.98 -1.52 -1.26 -5.09 119.66 119.54 2ofx s GLN 31 Ca 0.84 -0.96 -0.28 0.00 -1.95 0.00 0.00 55.36 53.01 2ofx s GLN 31 Cb -0.78 -3.61 -0.09 0.00 -0.22 0.00 0.00 33.01 28.31 2ofx s GLN 31 CO 0.44 -0.58 1.20 0.00 -0.25 0.00 0.00 175.29 176.10 2ofx s ALA 32 N 1.55 3.34 0.58 6.09 0.00 -1.26 -5.02 121.76 127.03 2ofx s ALA 32 Ca 0.02 1.06 -0.15 0.00 0.00 0.00 0.00 51.96 52.90 2ofx s ALA 32 Cb -0.18 -3.41 -0.05 0.00 0.00 0.00 0.00 23.12 19.48 2ofx s ALA 32 CO 0.06 -0.49 1.03 -1.01 0.00 0.00 0.00 175.76 175.35 2ofx s HIS 33 N -1.25 3.21 -1.13 0.00 3.76 -1.26 -4.98 115.29 113.65 2ofx s HIS 33 Ca 0.51 1.47 0.18 0.00 -0.15 0.00 0.00 55.06 57.07 2ofx s HIS 33 Cb -0.34 -2.90 0.66 0.00 1.11 0.00 0.00 32.58 31.11 2ofx s HIS 33 CO 0.45 -0.83 1.57 0.72 -0.85 0.00 0.00 174.74 175.80 2ofx n HIS 34 N -2.03 1.29 -4.74 1.40 8.25 -1.26 -4.90 115.22 113.24 2ofx n HIS 34 Ca 0.08 -0.61 -0.25 0.00 -0.26 0.00 0.00 57.72 56.68 2ofx n HIS 34 Cb 0.53 -0.20 -0.16 0.00 1.12 0.00 0.00 29.99 31.28 2ofx n HIS 34 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 2ofx s VAL 35 N -1.75 1.28 0.45 1.59 -7.23 -1.26 -5.14 120.40 108.34 2ofx s VAL 35 Ca 0.48 -0.65 -0.00 0.00 -1.81 0.00 0.00 61.98 60.00 2ofx s VAL 35 Cb 0.30 -1.10 -0.01 0.00 0.56 0.00 0.00 36.38 36.14 2ofx s VAL 35 CO 0.24 0.37 0.68 -0.94 -0.31 0.00 0.00 175.10 175.14 2ofx s SER 36 N -0.01 5.89 0.24 4.85 1.04 -1.26 -4.92 113.70 119.52 2ofx s SER 36 Ca -0.02 0.37 -0.05 0.00 0.48 0.00 0.00 55.95 56.73 2ofx s SER 36 Cb -0.10 -1.64 0.40 0.00 0.10 0.00 0.00 66.02 64.77 2ofx s SER 36 CO 0.01 -0.68 1.77 -0.09 0.98 0.00 0.00 173.24 175.23 2ofx h ARG 37 N 0.38 0.56 -0.18 4.02 2.43 -1.98 0.14 114.38 119.75 2ofx h ARG 37 Ca -0.46 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 58.71 2ofx h ARG 37 Cb 1.25 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.64 2ofx h ARG 37 CO 0.58 0.37 -0.03 -0.97 -1.51 0.00 0.00 179.97 178.41 2ofx h ASN 38 N 0.58 -0.15 -0.39 -3.80 -0.73 -1.99 -0.06 115.58 109.04 2ofx h ASN 38 Ca 0.38 0.05 -0.01 0.00 1.87 0.00 0.00 56.30 58.60 2ofx h ASN 38 Cb 0.47 0.10 -0.02 0.00 0.27 0.00 0.00 38.32 39.14 2ofx h ASN 38 CO -0.31 -0.05 0.22 0.11 -0.37 0.00 0.00 177.43 177.03 2ofx h LYS 39 N 0.01 0.54 -0.81 6.67 1.57 -1.70 -2.25 116.57 120.61 2ofx h LYS 39 Ca 0.09 -0.06 0.11 0.00 -1.87 0.00 0.00 60.65 58.91 2ofx h LYS 39 Cb 0.13 -0.11 -0.08 0.00 0.08 0.00 0.00 32.23 32.25 2ofx h LYS 39 CO -0.18 0.43 0.44 0.00 -0.57 0.00 0.00 179.45 179.58 2ofx h ARG 40 N 0.50 0.69 0.00 3.15 3.08 -0.43 -1.92 114.38 119.46 2ofx h ARG 40 Ca 0.14 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 60.10 2ofx h ARG 40 Cb 0.04 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 2ofx h ARG 40 CO -0.02 0.46 -0.24 0.78 -1.07 0.00 0.00 179.97 179.88 2ofx h GLY 41 N 0.72 0.00 2.00 0.04 0.00 -0.44 0.77 103.07 106.15 2ofx h GLY 41 Ca 0.41 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.59 2ofx h GLY 41 CO -0.28 0.00 -0.68 1.46 0.00 0.00 0.00 176.54 177.04 2ofx h GLN 42 N 0.00 0.00 0.04 4.80 4.20 -0.92 -3.18 115.11 120.05 2ofx h GLN 42 Ca -0.00 0.00 -0.32 0.00 0.06 0.00 0.00 58.65 58.39 2ofx h GLN 42 Cb 0.47 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.21 2ofx h GLN 42 CO 0.03 0.68 -1.82 1.55 -0.67 0.00 0.00 178.83 178.59 2ofx n VAL 43 N -3.65 1.66 0.14 -0.54 3.14 -0.77 -4.68 118.33 113.64 2ofx n VAL 43 Ca -0.01 -0.75 -0.12 0.00 -2.96 0.00 0.00 64.34 60.50 2ofx n VAL 43 Cb 0.68 -1.26 -0.07 0.00 -1.06 0.00 0.00 33.84 32.13 2ofx n VAL 43 CO 0.00 0.00 0.00 0.58 -6.46 0.00 0.00 176.83 170.95 2ofx h VAL 44 N 0.02 0.64 -4.14 1.55 2.07 -0.99 -3.46 116.25 111.95 2ofx h VAL 44 Ca -0.34 -0.74 -0.03 0.00 0.82 0.00 0.00 66.70 66.41 2ofx h VAL 44 Cb 2.03 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 32.77 2ofx h VAL 44 CO 0.08 0.13 -0.00 0.61 0.02 0.00 0.00 177.57 178.41 2ofx n GLY 45 N 0.01 1.90 0.44 2.17 0.00 -1.26 -4.83 105.19 103.62 2ofx n GLY 45 Ca -0.09 -2.13 0.11 0.00 0.00 0.00 0.00 46.02 43.91 2ofx n GLY 45 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2ofx n THR 46 N -1.08 0.00 -3.55 2.61 -2.24 -1.26 -4.81 114.28 103.94 2ofx n THR 46 Ca 0.01 -0.23 -0.41 0.00 -2.27 0.00 0.00 64.05 61.15 2ofx n THR 46 Cb 0.04 1.23 -0.09 0.00 -2.10 0.00 0.00 70.33 69.40 2ofx n THR 46 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2ofx s ARG 47 N -2.54 2.71 0.96 -0.78 0.52 -1.26 -5.07 118.95 113.49 2ofx s ARG 47 Ca 0.17 -1.40 -0.11 0.00 -0.52 0.00 0.00 55.73 53.87 2ofx s ARG 47 Cb 0.18 -3.86 0.14 0.00 0.52 0.00 0.00 34.95 31.93 2ofx s ARG 47 CO 0.61 -0.95 0.97 0.41 0.02 0.00 0.00 175.30 176.36 2ofx n GLY 48 N 4.99 -0.91 0.00 -3.53 0.00 -1.26 -4.89 105.19 99.59 2ofx n GLY 48 Ca -0.11 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.14 2ofx n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ofx n GLY 49 N 0.62 1.85 3.73 -0.02 0.00 -1.20 -4.98 105.19 105.18 2ofx n GLY 49 Ca 0.10 -1.65 -0.41 0.00 0.00 0.00 0.00 46.02 44.06 2ofx n GLY 49 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2ofx s PHE 50 N -1.72 3.75 -0.01 1.61 5.36 -1.26 -4.69 117.98 121.02 2ofx s PHE 50 Ca 0.00 1.61 0.26 0.00 -0.96 0.00 0.00 56.93 57.84 2ofx s PHE 50 Cb 0.00 -2.94 0.43 0.00 -0.34 0.00 0.00 43.02 40.17 2ofx s PHE 50 CO 0.00 0.20 1.17 2.89 -1.46 0.00 0.00 175.22 178.02 2ofx n ARG 51 N 2.98 0.04 -1.74 10.12 1.85 -1.26 -5.04 116.66 123.61 2ofx n ARG 51 Ca 0.00 -2.04 -0.42 0.00 -1.00 0.00 0.00 57.85 54.40 2ofx n ARG 51 Cb 0.50 -0.04 -0.02 0.00 -1.05 0.00 0.00 32.46 31.85 2ofx n ARG 51 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2ofx n GLY 52 N 0.47 1.37 3.75 2.89 0.00 -1.25 -4.42 105.19 108.01 2ofx n GLY 52 Ca 0.06 0.49 -0.02 0.00 0.00 0.00 0.00 46.02 46.55 2ofx n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ofx s THR 54 N -2.84 1.76 -0.45 0.00 2.01 -0.33 -0.67 115.64 115.12 2ofx s THR 54 Ca 0.15 -0.82 -0.15 0.00 0.31 0.00 0.00 61.69 61.17 2ofx s THR 54 Cb -0.00 -1.56 0.05 0.00 0.01 0.00 0.00 72.50 71.00 2ofx s THR 54 CO 0.01 0.49 0.36 -0.69 -0.69 0.00 0.00 174.62 174.11 2ofx s VAL 55 N 0.69 5.24 -0.44 3.82 1.01 0.12 -0.07 120.40 130.76 2ofx s VAL 55 Ca -0.12 -0.87 -0.13 0.00 0.00 0.00 0.00 61.98 60.85 2ofx s VAL 55 Cb -0.16 -4.05 0.06 0.00 0.00 0.00 0.00 36.38 32.23 2ofx s VAL 55 CO 0.03 -0.47 0.32 0.86 0.00 0.00 0.00 175.10 175.84 2ofx s TRP 56 N 1.68 3.26 0.38 5.22 -0.11 0.13 -0.42 118.94 129.08 2ofx s TRP 56 Ca 0.05 -1.02 -0.08 0.00 1.22 0.00 0.00 56.10 56.27 2ofx s TRP 56 Cb -0.22 -2.93 -0.06 0.00 -1.50 0.00 0.00 33.47 28.76 2ofx s TRP 56 CO 0.08 -0.76 0.71 -0.51 -4.62 0.00 0.00 176.95 171.85 2ofx s LEU 57 N 1.59 3.87 -0.02 5.86 1.43 0.29 0.29 118.68 131.99 2ofx s LEU 57 Ca 0.04 0.98 -0.22 0.00 -1.03 0.00 0.00 54.13 53.90 2ofx s LEU 57 Cb -0.22 -3.85 0.04 0.00 0.03 0.00 0.00 46.19 42.19 2ofx s LEU 57 CO 0.06 -0.36 0.48 0.28 0.23 0.00 0.00 176.35 177.04 2ofx s THR 58 N -2.33 0.03 0.00 5.49 -1.32 -0.32 -3.95 115.64 113.24 2ofx s THR 58 Ca 0.49 -0.27 0.00 0.00 -1.21 0.00 0.00 61.69 60.70 2ofx s THR 58 Cb -0.10 -0.83 0.00 0.00 -1.51 0.00 0.00 72.50 70.06 2ofx s THR 58 CO 0.33 -0.15 0.00 0.61 -2.21 0.00 0.00 174.62 173.20 2ofx n GLY 59 N 0.99 2.60 3.57 6.08 0.00 -0.91 0.41 105.19 117.94 2ofx n GLY 59 Ca -0.20 -1.21 -0.35 0.00 0.00 0.00 0.00 46.02 44.26 2ofx n GLY 59 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ofx n LEU 60 N 0.00 2.67 -4.70 0.99 4.77 -1.26 -4.33 117.00 115.14 2ofx n LEU 60 Ca 0.00 0.62 -0.44 0.00 -0.03 0.00 0.00 56.01 56.16 2ofx n LEU 60 Cb 0.00 -1.36 -0.03 0.00 -2.33 0.00 0.00 43.42 39.70 2ofx n LEU 60 CO 0.00 -2.38 1.25 -0.24 -1.33 0.00 0.00 177.39 174.69 2ofx n SER 61 N -1.48 3.53 0.00 -1.43 2.88 -1.26 -1.81 113.62 114.05 2ofx n SER 61 Ca 0.12 1.09 0.00 0.00 -1.33 0.00 0.00 58.87 58.75 2ofx n SER 61 Cb 0.50 -1.51 0.00 0.00 -0.75 0.00 0.00 64.21 62.45 2ofx n SER 61 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ofx n GLY 62 N 3.32 1.21 0.22 0.46 0.00 -1.26 -4.78 105.19 104.36 2ofx n GLY 62 Ca 0.15 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.24 2ofx n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ofx h ALA 63 N 0.00 1.30 0.00 4.61 0.00 -1.68 -3.44 119.26 120.05 2ofx h ALA 63 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2ofx h ALA 63 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2ofx h ALA 63 CO 0.00 0.33 0.00 0.41 0.00 0.00 0.00 179.25 179.99 2ofx n GLY 64 N -0.46 1.10 0.21 0.00 0.00 -1.26 -4.57 105.19 100.21 2ofx n GLY 64 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 2ofx n GLY 64 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ofx h LYS 65 N 0.00 -0.25 -0.49 1.61 1.57 -1.90 -0.35 116.57 116.77 2ofx h LYS 65 Ca 0.00 0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.70 2ofx h LYS 65 Cb 0.00 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 2ofx h LYS 65 CO 0.00 -0.17 -0.06 1.15 -0.57 0.00 0.00 179.45 179.81 2ofx h THR 66 N -0.26 1.27 -0.33 -0.16 2.02 -1.97 0.70 112.91 114.17 2ofx h THR 66 Ca 0.06 -1.17 0.01 0.00 0.77 0.00 0.00 66.41 66.08 2ofx h THR 66 Cb 0.34 1.03 -0.02 0.00 -1.74 0.00 0.00 68.15 67.75 2ofx h THR 66 CO -0.17 0.41 0.20 0.74 0.37 0.00 0.00 175.52 177.07 2ofx h THR 67 N 0.76 1.05 -0.13 3.16 2.02 -1.95 0.23 112.91 118.06 2ofx h THR 67 Ca 0.13 -0.14 -0.02 0.00 0.77 0.00 0.00 66.41 67.15 2ofx h THR 67 Cb 0.59 0.60 -0.00 0.00 -1.74 0.00 0.00 68.15 67.60 2ofx h THR 67 CO 0.04 0.08 0.01 0.58 0.37 0.00 0.00 175.52 176.59 2ofx h VAL 68 N 0.42 1.24 -0.62 3.16 2.07 -0.98 -1.84 116.25 119.69 2ofx h VAL 68 Ca 0.13 -0.77 -0.03 0.00 0.82 0.00 0.00 66.70 66.85 2ofx h VAL 68 Cb -0.02 1.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.23 2ofx h VAL 68 CO -0.05 0.22 0.28 0.77 0.02 0.00 0.00 177.57 178.81 2ofx h SER 69 N -0.03 0.83 -0.35 0.57 4.64 -0.42 0.43 113.55 119.22 2ofx h SER 69 Ca 0.04 -0.15 -0.15 0.00 -0.47 0.00 0.00 61.79 61.06 2ofx h SER 69 Cb 0.34 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.21 2ofx h SER 69 CO 0.00 0.75 -0.35 0.24 -0.87 0.00 0.00 176.83 176.60 2ofx h MET 70 N 0.86 0.85 -0.52 4.77 2.86 -0.61 -0.06 114.93 123.08 2ofx h MET 70 Ca 0.21 -0.45 -0.02 0.00 -2.06 0.00 0.00 59.70 57.38 2ofx h MET 70 Cb 0.15 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.81 2ofx h MET 70 CO -0.02 1.09 0.24 0.00 1.06 0.00 0.00 176.91 179.28 2ofx h ALA 71 N 0.74 0.68 -0.43 6.32 0.00 -1.11 -0.57 119.26 124.89 2ofx h ALA 71 Ca 0.05 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2ofx h ALA 71 Cb 0.94 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 2ofx h ALA 71 CO 0.09 0.26 0.23 1.25 0.00 0.00 0.00 179.25 181.07 2ofx h LEU 72 N 0.70 0.54 -0.16 0.00 5.85 0.02 0.11 115.31 122.37 2ofx h LEU 72 Ca 0.18 -0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.81 2ofx h LEU 72 Cb 0.14 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 2ofx h LEU 72 CO -0.02 0.48 0.06 -0.08 -0.34 0.00 0.00 178.44 178.54 2ofx h GLU 73 N 0.55 0.13 -0.57 1.25 4.81 -0.88 0.17 114.58 120.04 2ofx h GLU 73 Ca 0.15 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.41 2ofx h GLU 73 Cb 0.07 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.38 2ofx h GLU 73 CO -0.02 0.09 0.33 1.49 -0.73 0.00 0.00 179.01 180.17 2ofx h GLU 74 N 0.14 0.62 -0.03 1.92 4.81 -0.90 -1.16 114.58 119.98 2ofx h GLU 74 Ca 0.07 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.28 2ofx h GLU 74 Cb 0.04 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 2ofx h GLU 74 CO -0.07 0.41 -0.07 -0.92 -0.73 0.00 0.00 179.01 177.64 2ofx h TYR 75 N 0.64 -0.16 -0.23 0.92 3.20 -0.21 0.89 116.97 122.03 2ofx h TYR 75 Ca 0.24 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.09 2ofx h TYR 75 Cb 0.07 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.41 2ofx h TYR 75 CO -0.07 -0.10 0.04 -0.07 -1.64 0.00 0.00 178.16 176.32 2ofx h LEU 76 N -0.10 0.36 -0.32 2.82 3.38 -0.44 -0.40 115.31 120.62 2ofx h LEU 76 Ca 0.04 -0.25 0.06 0.00 0.09 0.00 0.00 57.88 57.81 2ofx h LEU 76 Cb 0.15 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 2ofx h LEU 76 CO -0.09 0.52 0.00 0.58 0.09 0.00 0.00 178.44 179.54 2ofx h VAL 77 N 0.18 0.77 0.00 1.22 2.07 -1.11 0.24 116.25 119.63 2ofx h VAL 77 Ca 0.07 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.56 2ofx h VAL 77 Cb 0.31 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 2ofx h VAL 77 CO 0.00 0.02 0.00 0.00 0.02 0.00 0.00 177.57 177.61 2ofx n HIS 79 N -2.86 1.47 -1.27 0.00 -0.00 -0.20 -4.96 115.22 107.41 2ofx n HIS 79 Ca -0.02 -1.31 -0.07 0.00 -0.00 0.00 0.00 57.72 56.32 2ofx n HIS 79 Cb 0.08 -0.51 -0.03 0.00 -0.00 0.00 0.00 29.99 29.53 2ofx n HIS 79 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2ofx n GLY 80 N -0.75 0.86 3.20 -1.41 0.00 -0.16 -5.00 105.19 101.93 2ofx n GLY 80 Ca 0.33 -0.73 -0.36 0.00 0.00 0.00 0.00 46.02 45.26 2ofx n GLY 80 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ofx s ILE 81 N -2.26 3.32 0.23 -0.61 1.01 0.71 -4.29 121.20 119.32 2ofx s ILE 81 Ca 0.00 -1.41 -0.31 0.00 0.00 0.00 0.00 60.65 58.93 2ofx s ILE 81 Cb 0.00 -2.96 -0.14 0.00 0.01 0.00 0.00 42.46 39.37 2ofx s ILE 81 CO 0.00 -0.23 1.33 -2.65 0.00 0.00 0.00 174.94 173.39 2ofx n PRO 82 N 4.69 1.80 -3.70 2.79 -0.02 -1.26 -2.97 135.00 136.33 2ofx n PRO 82 Ca -0.11 0.64 -0.07 0.00 -2.02 0.00 0.00 63.50 61.94 2ofx n PRO 82 Cb 0.43 -2.24 -0.02 0.00 -0.02 0.00 0.00 33.50 31.65 2ofx n PRO 82 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ofx s TYR 84 N -3.61 -0.57 -0.25 0.00 5.04 -0.43 -4.91 117.35 112.61 2ofx s TYR 84 Ca 0.09 1.32 -0.14 0.00 -2.44 0.00 0.00 57.07 55.90 2ofx s TYR 84 Cb -0.03 0.23 -0.04 0.00 0.35 0.00 0.00 41.96 42.47 2ofx s TYR 84 CO -0.00 -0.29 0.32 0.99 -1.34 0.00 0.00 175.55 175.22 2ofx s THR 85 N 0.68 5.23 -0.42 4.34 2.01 -1.26 -1.25 115.64 124.98 2ofx s THR 85 Ca -0.04 0.49 -0.16 0.00 0.31 0.00 0.00 61.69 62.29 2ofx s THR 85 Cb -0.05 -3.65 0.02 0.00 0.01 0.00 0.00 72.50 68.83 2ofx s THR 85 CO -0.05 0.23 0.35 -0.76 -0.69 0.00 0.00 174.62 173.70 2ofx s LEU 86 N 1.63 5.04 -0.09 4.42 1.43 0.13 -4.96 118.68 126.28 2ofx s LEU 86 Ca 0.14 -0.84 -0.02 0.00 -1.03 0.00 0.00 54.13 52.38 2ofx s LEU 86 Cb -0.15 -2.24 -0.03 0.00 0.03 0.00 0.00 46.19 43.80 2ofx s LEU 86 CO 0.08 -0.50 0.01 -0.62 0.23 0.00 0.00 176.35 175.55 2ofx s ASP 87 N 1.75 5.30 0.13 2.29 -1.08 -1.26 -0.69 116.67 123.11 2ofx s ASP 87 Ca 0.07 0.15 -0.23 0.00 -0.52 0.00 0.00 52.55 52.03 2ofx s ASP 87 Cb -0.18 -1.53 -0.04 0.00 -1.46 0.00 0.00 42.92 39.71 2ofx s ASP 87 CO 0.11 0.37 1.67 1.23 0.52 0.00 0.00 175.17 179.06 2ofx h GLY 88 N 5.25 -0.14 0.66 2.66 0.00 -1.12 0.84 103.07 111.22 2ofx h GLY 88 Ca -0.50 0.20 0.08 0.00 0.00 0.00 0.00 47.33 47.10 2ofx h GLY 88 CO 0.55 -0.16 0.59 -0.55 0.00 0.00 0.00 176.54 176.97 2ofx h ASP 89 N -0.22 0.91 -0.19 0.19 3.32 -1.96 -1.04 116.42 117.43 2ofx h ASP 89 Ca 0.08 0.02 -0.12 0.00 0.02 0.00 0.00 57.03 57.04 2ofx h ASP 89 Cb 0.34 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.72 2ofx h ASP 89 CO -0.22 0.56 -0.34 0.78 -1.72 0.00 0.00 179.24 178.30 2ofx h ASN 90 N 1.03 0.62 0.29 6.45 2.35 -1.62 -3.18 115.58 121.52 2ofx h ASN 90 Ca 0.42 -0.54 -0.14 0.00 -0.55 0.00 0.00 56.30 55.49 2ofx h ASN 90 Cb 0.25 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 2ofx h ASN 90 CO -0.20 1.05 -0.57 0.40 -1.65 0.00 0.00 177.43 176.46 2ofx h ILE 91 N 0.22 1.37 0.00 2.81 1.08 -0.79 -1.65 117.51 120.55 2ofx h ILE 91 Ca 0.01 -1.89 0.00 0.00 -0.39 0.00 0.00 64.86 62.59 2ofx h ILE 91 Cb 0.93 1.92 0.00 0.00 -3.07 0.00 0.00 36.82 36.61 2ofx h ILE 91 CO 0.08 0.57 0.00 0.54 -0.69 0.00 0.00 178.15 178.64 2ofx n ARG 92 N -3.91 0.46 0.00 2.37 1.74 -0.41 0.17 116.66 117.09 2ofx n ARG 92 Ca -0.02 0.01 0.08 0.00 -0.77 0.00 0.00 57.85 57.14 2ofx n ARG 92 Cb 0.60 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.54 2ofx n ARG 92 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2ofx n GLN 93 N -1.02 1.66 0.00 5.56 6.02 -0.62 -3.30 117.38 125.68 2ofx n GLN 93 Ca 0.11 -0.84 0.00 0.00 -0.01 0.00 0.00 57.00 56.26 2ofx n GLN 93 Cb 0.06 -1.27 0.00 0.00 1.02 0.00 0.00 30.24 30.04 2ofx n GLN 93 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2ofx n GLY 94 N 1.13 1.54 0.29 1.08 0.00 -0.36 -4.72 105.19 104.15 2ofx n GLY 94 Ca 0.07 -0.18 0.08 0.00 0.00 0.00 0.00 46.02 45.99 2ofx n GLY 94 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2ofx h LEU 95 N 0.00 0.07 -3.37 0.99 5.85 -1.77 -1.99 115.31 115.08 2ofx h LEU 95 Ca 0.00 0.16 -0.16 0.00 0.84 0.00 0.00 57.88 58.71 2ofx h LEU 95 Cb 0.00 0.20 -0.10 0.00 0.37 0.00 0.00 40.66 41.13 2ofx h LEU 95 CO 0.00 -0.05 -0.01 0.59 -0.34 0.00 0.00 178.44 178.63 2ofx n ASN 96 N -5.15 2.85 0.32 1.25 3.02 0.13 -4.61 115.26 113.06 2ofx n ASN 96 Ca 0.17 -3.61 0.20 0.00 -0.03 0.00 0.00 54.58 51.32 2ofx n ASN 96 Cb 0.54 -0.63 1.05 0.00 -0.61 0.00 0.00 39.78 40.13 2ofx n ASN 96 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 2ofx h LYS 97 N 1.16 0.00 -0.90 3.52 2.10 -1.35 -2.78 116.57 118.33 2ofx h LYS 97 Ca 0.20 0.00 -0.36 0.00 -2.00 0.00 0.00 60.65 58.50 2ofx h LYS 97 Cb 1.69 0.00 -0.21 0.00 -0.90 0.00 0.00 32.23 32.81 2ofx h LYS 97 CO 0.40 0.01 0.45 0.27 -2.00 0.00 0.00 179.45 178.58 2ofx n ASN 98 N -3.20 4.17 -4.04 7.07 6.94 -1.26 -4.86 115.26 120.09 2ofx n ASN 98 Ca -0.02 -3.34 -0.22 0.00 -0.02 0.00 0.00 54.58 50.98 2ofx n ASN 98 Cb 0.13 -0.78 -0.16 0.00 -2.36 0.00 0.00 39.78 36.62 2ofx n ASN 98 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2ofx s LEU 99 N -2.95 1.83 0.00 -4.53 1.43 -1.05 -5.14 118.68 108.27 2ofx s LEU 99 Ca 0.53 -0.23 0.00 0.00 -1.03 0.00 0.00 54.13 53.40 2ofx s LEU 99 Cb 0.43 -0.66 0.00 0.00 0.03 0.00 0.00 46.19 45.99 2ofx s LEU 99 CO 0.12 0.09 0.00 0.61 0.23 0.00 0.00 176.35 177.40 2ofx n GLY 100 N 3.23 1.78 0.16 -3.19 0.00 -1.26 -5.05 105.19 100.85 2ofx n GLY 100 Ca -0.18 -1.84 0.09 0.00 0.00 0.00 0.00 46.02 44.09 2ofx n GLY 100 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2ofx n PHE 101 N 0.00 0.00 -1.09 1.61 3.72 -1.26 -4.15 117.46 116.29 2ofx n PHE 101 Ca 0.00 -1.00 -0.31 0.00 -0.05 0.00 0.00 57.45 56.09 2ofx n PHE 101 Cb 0.00 -0.16 0.11 0.00 -0.94 0.00 0.00 39.48 38.50 2ofx n PHE 101 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 2ofx s SER 102 N -2.82 4.01 0.23 4.37 1.04 -1.26 -4.79 113.70 114.48 2ofx s SER 102 Ca 0.31 1.92 -0.06 0.00 0.48 0.00 0.00 55.95 58.61 2ofx s SER 102 Cb 0.28 -2.53 0.37 0.00 0.10 0.00 0.00 66.02 64.24 2ofx s SER 102 CO 0.02 -2.37 1.78 -0.65 0.98 0.00 0.00 173.24 173.00 2ofx h PRO 103 N -1.36 0.61 -0.13 4.02 0.11 -1.99 -0.22 132.00 133.04 2ofx h PRO 103 Ca -0.44 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.57 2ofx h PRO 103 Cb 1.24 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 2ofx h PRO 103 CO 0.48 0.40 -0.23 1.05 -0.21 0.00 0.00 178.00 179.50 2ofx h GLU 104 N 0.63 0.23 0.04 1.05 4.11 -1.97 0.91 114.58 119.57 2ofx h GLU 104 Ca 0.37 -0.07 -0.22 0.00 0.07 0.00 0.00 59.36 59.51 2ofx h GLU 104 Cb 0.41 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 2ofx h GLU 104 CO -0.28 0.45 -1.03 -0.44 0.07 0.00 0.00 179.01 177.77 2ofx h ASP 105 N 0.21 0.16 -0.11 3.06 5.19 -1.64 -1.46 116.42 121.82 2ofx h ASP 105 Ca 0.04 -0.16 -0.15 0.00 -0.62 0.00 0.00 57.03 56.14 2ofx h ASP 105 Cb 0.52 -0.05 -0.01 0.00 0.18 0.00 0.00 39.33 39.97 2ofx h ASP 105 CO 0.04 1.08 -0.46 0.03 -3.12 0.00 0.00 179.24 176.81 2ofx h ARG 106 N 0.04 0.67 -0.23 3.56 3.08 -0.68 0.20 114.38 121.01 2ofx h ARG 106 Ca -0.05 -0.38 0.04 0.00 0.07 0.00 0.00 59.98 59.67 2ofx h ARG 106 Cb 1.76 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 31.79 2ofx h ARG 106 CO 0.15 0.99 -0.04 1.49 -1.07 0.00 0.00 179.97 181.48 2ofx h GLU 107 N 0.53 0.02 -0.35 0.04 4.81 -0.73 -1.37 114.58 117.53 2ofx h GLU 107 Ca 0.03 -0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.15 2ofx h GLU 107 Cb 1.01 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.38 2ofx h GLU 107 CO 0.09 0.01 -0.23 1.49 -0.73 0.00 0.00 179.01 179.65 2ofx h GLU 108 N 0.02 0.76 -0.42 1.92 4.57 -1.07 0.00 114.58 120.36 2ofx h GLU 108 Ca 0.11 -0.36 0.05 0.00 -1.18 0.00 0.00 59.36 57.98 2ofx h GLU 108 Cb 0.16 -0.01 -0.08 0.00 -0.16 0.00 0.00 28.75 28.66 2ofx h GLU 108 CO -0.23 0.98 -0.56 -0.97 -1.18 0.00 0.00 179.01 177.06 2ofx h ASN 109 N 0.54 -1.87 -0.40 1.04 -1.24 -0.56 -0.68 115.58 112.42 2ofx h ASN 109 Ca 0.07 0.25 -0.10 0.00 0.71 0.00 0.00 56.30 57.23 2ofx h ASN 109 Cb 0.78 0.77 -0.02 0.00 0.73 0.00 0.00 38.32 40.58 2ofx h ASN 109 CO 0.06 -0.40 -0.09 0.58 -1.29 0.00 0.00 177.43 176.29 2ofx h VAL 110 N -0.39 1.26 -0.17 2.57 2.07 -1.17 -2.14 116.25 118.27 2ofx h VAL 110 Ca 0.08 -1.17 -0.00 0.00 0.82 0.00 0.00 66.70 66.42 2ofx h VAL 110 Cb 0.59 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 2ofx h VAL 110 CO -0.60 0.41 0.10 -0.09 0.02 0.00 0.00 177.57 177.40 2ofx h ARG 111 N 0.76 0.24 -0.27 1.57 2.43 -0.75 -0.67 114.38 117.69 2ofx h ARG 111 Ca 0.13 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 2ofx h ARG 111 Cb 0.59 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 2ofx h ARG 111 CO 0.04 0.21 0.14 0.00 -1.51 0.00 0.00 179.97 178.85 2ofx h ARG 112 N 0.20 0.38 -0.00 0.20 3.08 -0.97 -2.23 114.38 115.03 2ofx h ARG 112 Ca 0.06 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 59.98 2ofx h ARG 112 Cb 0.04 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 2ofx h ARG 112 CO -0.01 0.35 -0.38 0.97 -1.07 0.00 0.00 179.97 179.82 2ofx h ILE 113 N 0.31 1.28 -0.66 2.04 6.09 -1.23 -0.87 117.51 124.47 2ofx h ILE 113 Ca 0.09 -1.31 -0.05 0.00 -1.37 0.00 0.00 64.86 62.22 2ofx h ILE 113 Cb 0.08 1.70 -0.03 0.00 0.47 0.00 0.00 36.82 39.05 2ofx h ILE 113 CO -0.01 0.38 0.21 0.00 -3.07 0.00 0.00 178.15 175.65 2ofx h ALA 114 N 1.61 0.86 -0.47 0.18 0.00 -0.85 1.02 119.26 121.62 2ofx h ALA 114 Ca -0.00 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 2ofx h ALA 114 Cb 0.68 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2ofx h ALA 114 CO 0.05 0.54 0.10 0.93 0.00 0.00 0.00 179.25 180.87 2ofx h GLU 115 N 0.96 0.76 -0.28 0.00 4.39 -0.92 0.65 114.58 120.15 2ofx h GLU 115 Ca 0.21 -0.19 -0.04 0.00 0.34 0.00 0.00 59.36 59.68 2ofx h GLU 115 Cb 0.30 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 2ofx h GLU 115 CO -0.01 0.76 0.02 0.28 -1.16 0.00 0.00 179.01 178.90 2ofx h VAL 116 N 0.64 1.25 -0.50 3.13 2.07 -0.84 -2.17 116.25 119.83 2ofx h VAL 116 Ca 0.15 -0.88 0.10 0.00 0.82 0.00 0.00 66.70 66.89 2ofx h VAL 116 Cb 0.35 1.28 -0.08 0.00 -1.52 0.00 0.00 31.29 31.31 2ofx h VAL 116 CO 0.00 0.28 -0.01 0.00 0.02 0.00 0.00 177.57 177.86 2ofx h ALA 117 N 0.84 0.46 -0.70 1.67 0.00 0.12 -1.21 119.26 120.44 2ofx h ALA 117 Ca 0.08 0.15 0.12 0.00 0.00 0.00 0.00 54.91 55.27 2ofx h ALA 117 Cb 0.39 0.27 -0.09 0.00 0.00 0.00 0.00 17.79 18.36 2ofx h ALA 117 CO 0.01 -0.39 0.26 -0.22 0.00 0.00 0.00 179.25 178.91 2ofx h LYS 118 N 0.10 0.40 -0.28 0.00 3.64 -0.66 -0.57 116.57 119.21 2ofx h LYS 118 Ca 0.25 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.59 2ofx h LYS 118 Cb 0.38 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 2ofx h LYS 118 CO -0.43 0.27 0.12 -0.07 -2.27 0.00 0.00 179.45 177.07 2ofx h LEU 119 N 0.41 0.38 -0.46 5.20 3.38 -0.73 0.35 115.31 123.85 2ofx h LEU 119 Ca 0.37 -0.15 0.03 0.00 0.09 0.00 0.00 57.88 58.22 2ofx h LEU 119 Cb 0.53 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 2ofx h LEU 119 CO -0.38 0.43 0.26 -0.26 0.09 0.00 0.00 178.44 178.58 2ofx h PHE 120 N 0.31 0.47 -0.33 1.13 0.04 -0.76 0.18 116.94 117.99 2ofx h PHE 120 Ca 0.10 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.86 2ofx h PHE 120 Cb 0.16 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.15 2ofx h PHE 120 CO -0.01 0.26 0.12 0.00 -0.60 0.00 0.00 178.31 178.08 2ofx h ALA 121 N 1.22 0.43 -0.99 2.45 0.00 -0.97 -1.89 119.26 119.51 2ofx h ALA 121 Ca 0.19 -0.14 0.07 0.00 0.00 0.00 0.00 54.91 55.04 2ofx h ALA 121 Cb 0.05 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 17.65 2ofx h ALA 121 CO -0.11 0.04 0.64 0.22 0.00 0.00 0.00 179.25 180.04 2ofx h ASP 122 N 0.38 1.01 0.21 0.00 3.58 -0.08 0.39 116.42 121.91 2ofx h ASP 122 Ca 0.11 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.57 2ofx h ASP 122 Cb 0.20 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 41.05 2ofx h ASP 122 CO -0.01 0.63 0.00 0.00 -2.88 0.00 0.00 179.24 176.99 2ofx h ALA 123 N 1.47 1.00 0.00 -0.78 0.00 -0.46 -3.46 119.26 117.03 2ofx h ALA 123 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.35 2ofx h ALA 123 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2ofx h ALA 123 CO -0.18 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.48 2ofx n GLY 124 N -0.90 0.76 3.89 0.00 0.00 0.13 -4.91 105.19 104.16 2ofx n GLY 124 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 2ofx n GLY 124 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ofx s LEU 125 N 0.00 4.01 -0.42 0.99 1.02 -0.76 -3.85 118.68 119.68 2ofx s LEU 125 Ca 0.00 0.84 -0.28 0.00 0.02 0.00 0.00 54.13 54.71 2ofx s LEU 125 Cb 0.00 -3.67 0.02 0.00 0.02 0.00 0.00 46.19 42.56 2ofx s LEU 125 CO 0.00 -0.23 1.06 -0.69 0.02 0.00 0.00 176.35 176.50 2ofx s VAL 126 N -2.13 4.38 -0.19 -1.59 1.01 -0.90 -2.62 120.40 118.37 2ofx s VAL 126 Ca 0.46 1.28 -0.17 0.00 0.00 0.00 0.00 61.98 63.55 2ofx s VAL 126 Cb -0.11 -4.49 -0.04 0.00 0.00 0.00 0.00 36.38 31.75 2ofx s VAL 126 CO 0.29 -0.77 0.46 0.00 0.00 0.00 0.00 175.10 175.08 2ofx s ILE 128 N 1.33 3.11 -0.07 0.00 1.01 -0.38 0.12 121.20 126.32 2ofx s ILE 128 Ca 0.22 -0.84 -0.02 0.00 0.00 0.00 0.00 60.65 60.00 2ofx s ILE 128 Cb -0.15 -2.53 -0.04 0.00 0.01 0.00 0.00 42.46 39.75 2ofx s ILE 128 CO 0.09 0.25 0.05 0.42 0.00 0.00 0.00 174.94 175.75 2ofx s THR 129 N 1.39 4.62 -0.51 2.92 -4.23 0.44 0.22 115.64 120.48 2ofx s THR 129 Ca 0.02 -0.22 0.04 0.00 -1.18 0.00 0.00 61.69 60.34 2ofx s THR 129 Cb -0.16 -3.01 0.16 0.00 1.34 0.00 0.00 72.50 70.84 2ofx s THR 129 CO -0.04 0.53 0.36 -0.94 -0.54 0.00 0.00 174.62 174.00 2ofx s SER 130 N -1.16 3.09 0.03 3.99 1.04 0.14 -0.55 113.70 120.28 2ofx s SER 130 Ca 0.16 -3.19 0.07 0.00 0.48 0.00 0.00 55.95 53.47 2ofx s SER 130 Cb -0.12 -0.96 -0.02 0.00 0.10 0.00 0.00 66.02 65.02 2ofx s SER 130 CO 0.06 -0.17 -0.20 -0.36 0.98 0.00 0.00 173.24 173.55 2ofx s PHE 131 N -0.33 1.78 0.25 5.02 0.08 -1.25 -0.39 117.98 123.14 2ofx s PHE 131 Ca 0.26 -0.37 -0.03 0.00 0.12 0.00 0.00 56.93 56.91 2ofx s PHE 131 Cb -0.06 -1.08 0.49 0.00 -0.57 0.00 0.00 43.02 41.81 2ofx s PHE 131 CO -0.13 0.07 1.71 0.82 -0.10 0.00 0.00 175.22 177.58 2ofx h ILE 132 N 4.42 0.59 -6.77 0.64 2.04 -1.85 -3.35 117.51 113.22 2ofx h ILE 132 Ca -0.42 -0.13 -0.50 0.00 1.00 0.00 0.00 64.86 64.81 2ofx h ILE 132 Cb 1.16 0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 37.41 2ofx h ILE 132 CO 0.45 0.07 -1.08 -1.54 0.00 0.00 0.00 178.15 176.04 2ofx n SER 133 N -5.06 -4.60 0.00 1.72 3.41 -1.26 -2.13 113.62 105.70 2ofx n SER 133 Ca 0.15 -1.01 0.13 0.00 -0.26 0.00 0.00 58.87 57.89 2ofx n SER 133 Cb 0.46 -1.55 0.59 0.00 -0.26 0.00 0.00 64.21 63.44 2ofx n SER 133 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 2ofx n PRO 134 N -2.88 0.07 -3.94 4.33 -0.04 -1.26 -4.74 135.00 126.54 2ofx n PRO 134 Ca -0.30 0.04 -0.35 0.00 -0.04 0.00 0.00 63.50 62.86 2ofx n PRO 134 Cb 0.67 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.49 2ofx n PRO 134 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2ofx s TYR 135 N -2.92 3.02 0.23 0.54 2.02 -1.26 -0.40 117.35 118.59 2ofx s TYR 135 Ca 0.15 -1.37 -0.16 0.00 -0.37 0.00 0.00 57.07 55.33 2ofx s TYR 135 Cb 0.18 -2.08 0.27 0.00 -0.40 0.00 0.00 41.96 39.93 2ofx s TYR 135 CO 0.47 -0.68 1.56 1.15 -1.57 0.00 0.00 175.55 176.48 2ofx h THR 136 N 6.00 0.03 -0.26 -0.71 2.02 -1.85 -0.28 112.91 117.86 2ofx h THR 136 Ca -0.36 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 66.79 2ofx h THR 136 Cb 1.12 0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 2ofx h THR 136 CO 0.59 0.00 -0.00 0.06 0.37 0.00 0.00 175.52 176.53 2ofx h GLN 137 N -0.02 0.38 0.05 6.66 -0.00 -1.98 0.15 115.11 120.34 2ofx h GLN 137 Ca 0.36 -0.07 -0.23 0.00 -0.00 0.00 0.00 58.65 58.71 2ofx h GLN 137 Cb 0.61 -0.06 -0.01 0.00 -0.00 0.00 0.00 27.48 28.02 2ofx h GLN 137 CO -0.95 0.42 -1.03 -0.44 -0.00 0.00 0.00 178.83 176.82 2ofx h ASP 138 N 0.37 0.29 -0.55 0.06 3.32 -1.49 -0.80 116.42 117.62 2ofx h ASP 138 Ca 0.08 -0.27 -0.07 0.00 0.02 0.00 0.00 57.03 56.79 2ofx h ASP 138 Cb 0.26 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 2ofx h ASP 138 CO 0.01 1.15 0.07 0.03 -1.72 0.00 0.00 179.24 178.78 2ofx h ARG 139 N 0.08 0.92 -0.81 3.56 3.08 -0.77 -1.46 114.38 118.98 2ofx h ARG 139 Ca -0.07 -0.26 -0.02 0.00 0.07 0.00 0.00 59.98 59.70 2ofx h ARG 139 Cb 1.73 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 31.63 2ofx h ARG 139 CO 0.16 0.90 0.44 -0.91 -1.07 0.00 0.00 179.97 179.48 2ofx h ASN 140 N 0.81 1.03 -0.61 7.04 -0.26 -0.63 -1.35 115.58 121.60 2ofx h ASN 140 Ca 0.16 -0.10 -0.09 0.00 -0.56 0.00 0.00 56.30 55.71 2ofx h ASN 140 Cb 0.43 -0.26 -0.02 0.00 -1.06 0.00 0.00 38.32 37.41 2ofx h ASN 140 CO 0.01 0.84 0.02 -1.13 -1.06 0.00 0.00 177.43 176.11 2ofx h ASN 141 N 1.14 1.04 -0.73 5.81 -1.24 -0.99 -0.32 115.58 120.28 2ofx h ASN 141 Ca 0.29 -0.30 0.03 0.00 0.71 0.00 0.00 56.30 57.03 2ofx h ASN 141 Cb 0.05 -0.28 -0.05 0.00 0.73 0.00 0.00 38.32 38.77 2ofx h ASN 141 CO -0.04 1.08 0.46 0.00 -1.29 0.00 0.00 177.43 177.64 2ofx h ALA 142 N 0.99 0.97 -0.72 1.57 0.00 -0.94 -0.92 119.26 120.21 2ofx h ALA 142 Ca 0.18 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 2ofx h ALA 142 Cb 0.54 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 2ofx h ALA 142 CO 0.03 0.24 0.29 -0.09 0.00 0.00 0.00 179.25 179.72 2ofx h ARG 143 N 0.89 1.08 -0.03 0.00 2.43 -0.81 -2.87 114.38 115.07 2ofx h ARG 143 Ca 0.30 -0.20 -0.15 0.00 -0.81 0.00 0.00 59.98 59.12 2ofx h ARG 143 Cb 0.03 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.39 2ofx h ARG 143 CO -0.12 0.89 -0.68 -0.56 -1.51 0.00 0.00 179.97 178.00 2ofx h GLN 144 N 1.04 0.15 -0.66 0.20 3.07 0.10 0.15 115.11 119.16 2ofx h GLN 144 Ca 0.24 -0.12 0.07 0.00 0.09 0.00 0.00 58.65 58.93 2ofx h GLN 144 Cb 0.21 0.02 -0.06 0.00 0.08 0.00 0.00 27.48 27.74 2ofx h GLN 144 CO -0.02 0.77 0.35 0.82 0.09 0.00 0.00 178.83 180.84 2ofx h ILE 145 N 0.11 0.92 -0.12 1.86 2.04 -1.21 0.41 117.51 121.52 2ofx h ILE 145 Ca -0.01 -0.22 -0.08 0.00 1.00 0.00 0.00 64.86 65.55 2ofx h ILE 145 Cb 1.21 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.52 2ofx h ILE 145 CO 0.10 0.12 -0.24 0.45 0.00 0.00 0.00 178.15 178.57 2ofx h HIS 146 N 0.63 0.47 -0.96 1.37 3.86 -1.03 -3.03 115.15 116.46 2ofx h HIS 146 Ca 0.31 -0.17 0.08 0.00 -1.16 0.00 0.00 60.37 59.42 2ofx h HIS 146 Cb 0.24 -0.09 -0.07 0.00 1.06 0.00 0.00 27.41 28.55 2ofx h HIS 146 CO -0.09 0.86 0.61 0.93 0.86 0.00 0.00 177.93 181.10 2ofx h GLU 147 N -0.05 1.03 -0.13 2.45 5.08 -0.52 0.50 114.58 122.96 2ofx h GLU 147 Ca 0.00 -0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.34 2ofx h GLU 147 Cb 0.84 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 2ofx h GLU 147 CO 0.05 0.68 0.12 0.78 -1.00 0.00 0.00 179.01 179.65 2ofx h GLY 148 N 1.07 0.00 -2.18 -3.84 0.00 -0.13 -2.29 103.07 95.69 2ofx h GLY 148 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.76 2ofx h GLY 148 CO -0.20 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.34 2ofx n ALA 149 N -2.42 2.31 -4.06 3.60 0.00 0.08 -4.97 120.51 115.05 2ofx n ALA 149 Ca 0.00 -1.22 -0.31 0.00 0.00 0.00 0.00 53.44 51.91 2ofx n ALA 149 Cb 0.23 -0.75 -0.01 0.00 0.00 0.00 0.00 19.45 18.92 2ofx n ALA 149 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2ofx n SER 150 N 1.26 -2.70 -4.23 0.00 7.64 -0.85 -4.98 113.62 109.75 2ofx n SER 150 Ca 0.20 -0.95 -0.34 0.00 1.01 0.00 0.00 58.87 58.78 2ofx n SER 150 Cb 0.55 -3.14 -0.15 0.00 -1.01 0.00 0.00 64.21 60.46 2ofx n SER 150 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2ofx s LEU 151 N -7.16 2.82 0.45 -3.43 1.43 -0.65 -5.03 118.68 107.11 2ofx s LEU 151 Ca 0.48 -0.60 -0.24 0.00 -1.03 0.00 0.00 54.13 52.75 2ofx s LEU 151 Cb -0.26 -1.66 -0.09 0.00 0.03 0.00 0.00 46.19 44.21 2ofx s LEU 151 CO 0.89 -0.05 1.08 -2.65 0.23 0.00 0.00 176.35 175.85 2ofx n PRO 152 N 4.72 1.44 -3.72 1.29 -0.02 -1.26 -4.04 135.00 133.41 2ofx n PRO 152 Ca -0.18 0.52 -0.22 0.00 -2.02 0.00 0.00 63.50 61.60 2ofx n PRO 152 Cb 0.49 -2.17 -0.18 0.00 -0.02 0.00 0.00 33.50 31.63 2ofx n PRO 152 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2ofx s PHE 153 N -1.29 0.40 -0.25 6.00 5.36 -1.26 -1.19 117.98 125.75 2ofx s PHE 153 Ca 0.65 0.02 0.01 0.00 -0.96 0.00 0.00 56.93 56.64 2ofx s PHE 153 Cb -0.52 -0.66 0.04 0.00 -0.34 0.00 0.00 43.02 41.54 2ofx s PHE 153 CO 0.55 -0.27 -0.10 -0.06 -1.46 0.00 0.00 175.22 173.88 2ofx s PHE 154 N 2.06 3.12 -0.20 10.12 0.08 0.89 -4.99 117.98 129.07 2ofx s PHE 154 Ca 0.05 -1.93 -0.22 0.00 0.12 0.00 0.00 56.93 54.95 2ofx s PHE 154 Cb -0.12 -1.99 -0.02 0.00 -0.57 0.00 0.00 43.02 40.32 2ofx s PHE 154 CO -0.04 -0.82 0.71 -2.00 -0.10 0.00 0.00 175.22 172.97 2ofx s GLU 155 N 1.22 4.23 -0.25 0.44 2.12 -1.26 0.18 118.70 125.37 2ofx s GLU 155 Ca -0.03 0.76 0.01 0.00 0.36 0.00 0.00 54.97 56.06 2ofx s GLU 155 Cb -0.18 -3.59 0.04 0.00 0.26 0.00 0.00 34.13 30.67 2ofx s GLU 155 CO -0.06 -0.31 -0.09 0.08 -0.54 0.00 0.00 175.26 174.34 2ofx s VAL 156 N 2.11 2.47 -0.58 3.70 1.01 0.14 -0.67 120.40 128.59 2ofx s VAL 156 Ca 0.32 -1.33 -0.26 0.00 0.00 0.00 0.00 61.98 60.71 2ofx s VAL 156 Cb -0.16 -2.33 0.04 0.00 0.00 0.00 0.00 36.38 33.92 2ofx s VAL 156 CO 0.10 0.11 1.05 0.12 0.00 0.00 0.00 175.10 176.49 2ofx s PHE 157 N 1.21 2.69 -0.64 5.22 5.36 0.08 -1.17 117.98 130.73 2ofx s PHE 157 Ca -0.04 0.12 -0.27 0.00 -0.96 0.00 0.00 56.93 55.78 2ofx s PHE 157 Cb -0.18 -4.28 0.04 0.00 -0.34 0.00 0.00 43.02 38.26 2ofx s PHE 157 CO -0.05 -1.49 1.15 0.08 -1.46 0.00 0.00 175.22 173.44 2ofx s VAL 158 N 4.43 4.02 -0.44 3.12 1.01 0.17 -0.96 120.40 131.74 2ofx s VAL 158 Ca 0.35 0.50 0.01 0.00 0.00 0.00 0.00 61.98 62.84 2ofx s VAL 158 Cb -0.11 -4.75 0.12 0.00 0.00 0.00 0.00 36.38 31.64 2ofx s VAL 158 CO 0.21 -1.49 0.20 -0.62 0.00 0.00 0.00 175.10 173.41 2ofx s ASP 159 N 3.27 4.90 0.06 3.32 2.15 1.00 -4.25 116.67 127.12 2ofx s ASP 159 Ca 0.36 -2.41 0.08 0.00 0.43 0.00 0.00 52.55 51.00 2ofx s ASP 159 Cb -0.09 -1.73 -0.03 0.00 -0.30 0.00 0.00 42.92 40.76 2ofx s ASP 159 CO 0.19 -0.40 -0.19 0.00 -0.17 0.00 0.00 175.17 174.61 2ofx s ALA 160 N 0.56 2.60 0.61 3.66 0.00 -1.26 -2.92 121.76 125.00 2ofx s ALA 160 Ca 0.12 -1.24 -0.19 0.00 0.00 0.00 0.00 51.96 50.65 2ofx s ALA 160 Cb -0.22 -0.70 -0.03 0.00 0.00 0.00 0.00 23.12 22.18 2ofx s ALA 160 CO -0.04 0.58 1.29 -2.14 0.00 0.00 0.00 175.76 175.44 2ofx s PRO 161 N -1.63 2.81 0.24 0.00 0.02 -1.26 -4.77 135.00 130.42 2ofx s PRO 161 Ca 0.15 2.06 -0.05 0.00 0.02 0.00 0.00 61.00 63.18 2ofx s PRO 161 Cb -0.10 -1.98 0.40 0.00 0.02 0.00 0.00 34.50 32.84 2ofx s PRO 161 CO 0.06 -1.39 1.77 1.25 -0.33 0.00 0.00 177.00 178.36 2ofx h LEU 162 N 0.89 0.45 -1.89 -5.54 5.85 -1.99 -0.66 115.31 112.41 2ofx h LEU 162 Ca -0.51 0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.30 2ofx h LEU 162 Cb 1.32 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.35 2ofx h LEU 162 CO 0.55 0.23 0.10 1.12 -0.34 0.00 0.00 178.44 180.10 2ofx h HIS 163 N 0.59 0.13 -0.12 1.25 2.07 -1.99 -0.55 115.15 116.53 2ofx h HIS 163 Ca 0.39 0.00 -0.12 0.00 -2.85 0.00 0.00 60.37 57.79 2ofx h HIS 163 Cb 0.48 -0.05 0.00 0.00 2.57 0.00 0.00 27.41 30.41 2ofx h HIS 163 CO -0.11 0.08 -0.38 0.28 -3.07 0.00 0.00 177.93 174.73 2ofx h VAL 164 N 0.14 1.37 -0.95 6.12 2.07 -1.50 -2.42 116.25 121.09 2ofx h VAL 164 Ca 0.06 -1.68 0.02 0.00 0.82 0.00 0.00 66.70 65.92 2ofx h VAL 164 Cb 0.07 2.11 -0.05 0.00 -1.52 0.00 0.00 31.29 31.90 2ofx h VAL 164 CO -0.01 0.50 0.62 0.00 0.02 0.00 0.00 177.57 178.70 2ofx h GLU 166 N 1.24 0.81 -0.09 0.00 5.08 -1.18 -1.38 114.58 119.06 2ofx h GLU 166 Ca 0.36 -0.05 -0.12 0.00 -1.00 0.00 0.00 59.36 58.55 2ofx h GLU 166 Cb -0.07 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 28.99 2ofx h GLU 166 CO -0.10 0.54 -0.49 1.96 -1.00 0.00 0.00 179.01 179.92 2ofx h GLN 167 N 0.83 0.23 0.39 2.33 1.08 -0.82 -2.96 115.11 116.19 2ofx h GLN 167 Ca 0.22 -0.13 -0.02 0.00 -1.45 0.00 0.00 58.65 57.28 2ofx h GLN 167 Cb -0.09 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.35 2ofx h GLN 167 CO -0.05 0.67 -0.19 0.00 -0.95 0.00 0.00 178.83 178.31 2ofx h ARG 168 N 0.18 -0.51 -6.46 1.46 3.08 -1.19 -3.47 114.38 107.47 2ofx h ARG 168 Ca 0.01 0.03 -0.27 0.00 0.07 0.00 0.00 59.98 59.82 2ofx h ARG 168 Cb 0.93 0.12 -0.06 0.00 0.08 0.00 0.00 29.97 31.04 2ofx h ARG 168 CO 0.08 -0.20 -0.44 -3.47 -1.07 0.00 0.00 179.97 174.87 2ofx n ASP 169 N -5.19 -0.48 -0.24 7.04 2.03 -0.53 -4.82 116.55 114.36 2ofx n ASP 169 Ca -0.10 -0.57 0.03 0.00 0.52 0.00 0.00 54.79 54.67 2ofx n ASP 169 Cb 0.28 -0.70 0.13 0.00 -0.72 0.00 0.00 41.12 40.11 2ofx n ASP 169 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 2ofx h VAL 170 N 0.08 0.36 -0.18 5.18 -1.51 -1.91 -2.70 116.25 115.57 2ofx h VAL 170 Ca -0.30 -0.03 0.00 0.00 -1.23 0.00 0.00 66.70 65.14 2ofx h VAL 170 Cb 0.62 0.27 0.00 0.00 -2.13 0.00 0.00 31.29 30.05 2ofx h VAL 170 CO 0.28 0.01 0.00 0.29 -1.23 0.00 0.00 177.57 176.93 2ofx n LYS 171 N -5.36 1.92 -1.15 5.19 5.02 -1.26 -4.91 118.16 117.61 2ofx n LYS 171 Ca 0.12 -1.38 -0.05 0.00 -2.02 0.00 0.00 58.31 54.98 2ofx n LYS 171 Cb 0.43 -1.43 -0.02 0.00 -0.02 0.00 0.00 35.03 33.98 2ofx n LYS 171 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ofx n GLY 172 N 1.23 0.66 0.22 0.72 0.00 -1.02 -4.89 105.19 102.10 2ofx n GLY 172 Ca 0.17 -0.16 -0.14 0.00 0.00 0.00 0.00 46.02 45.89 2ofx n GLY 172 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2ofx h LEU 173 N 0.00 0.79 -0.34 0.99 3.38 -1.91 -2.49 115.31 115.73 2ofx h LEU 173 Ca -0.10 -0.48 -0.08 0.00 0.09 0.00 0.00 57.88 57.30 2ofx h LEU 173 Cb 0.71 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 2ofx h LEU 173 CO 0.15 1.26 -0.09 1.88 0.09 0.00 0.00 178.44 181.73 2ofx h TYR 174 N 0.49 0.74 -0.19 1.13 0.05 -1.92 0.35 116.97 117.63 2ofx h TYR 174 Ca -0.02 -0.16 0.05 0.00 0.05 0.00 0.00 58.73 58.64 2ofx h TYR 174 Cb 1.28 -0.18 -0.05 0.00 1.01 0.00 0.00 36.73 38.80 2ofx h TYR 174 CO 0.07 0.83 -0.10 0.87 -1.05 0.00 0.00 178.16 178.77 2ofx h LYS 175 N 0.44 -0.08 0.09 4.88 1.79 -1.90 0.60 116.57 122.38 2ofx h LYS 175 Ca 0.08 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.57 2ofx h LYS 175 Cb 0.59 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.25 2ofx h LYS 175 CO 0.04 -0.06 -0.10 0.87 -1.08 0.00 0.00 179.45 179.12 2ofx h LYS 176 N -0.09 -0.20 -0.45 3.15 1.57 -1.24 -2.05 116.57 117.27 2ofx h LYS 176 Ca 0.11 0.01 0.09 0.00 -1.87 0.00 0.00 60.65 58.99 2ofx h LYS 176 Cb 0.25 0.05 -0.09 0.00 0.08 0.00 0.00 32.23 32.51 2ofx h LYS 176 CO -0.25 -0.14 -0.20 0.00 -0.57 0.00 0.00 179.45 178.29 2ofx h ALA 177 N 0.69 0.13 -0.33 3.86 0.00 -0.13 0.69 119.26 124.16 2ofx h ALA 177 Ca 0.01 0.16 0.05 0.00 0.00 0.00 0.00 54.91 55.12 2ofx h ALA 177 Cb 0.21 0.50 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 2ofx h ALA 177 CO -0.04 -0.55 0.23 -0.09 0.00 0.00 0.00 179.25 178.80 2ofx h ARG 178 N -0.11 0.25 0.00 0.00 2.43 -0.65 0.51 114.38 116.81 2ofx h ARG 178 Ca 0.21 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.37 2ofx h ARG 178 Cb 0.44 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 2ofx h ARG 178 CO -0.52 0.16 -0.13 0.00 -1.51 0.00 0.00 179.97 177.97 2ofx n ALA 179 N -2.53 2.46 -1.00 2.80 0.00 -0.51 -4.91 120.51 116.81 2ofx n ALA 179 Ca 0.04 -0.09 -0.00 0.00 0.00 0.00 0.00 53.44 53.38 2ofx n ALA 179 Cb 0.22 -1.40 -0.00 0.00 0.00 0.00 0.00 19.45 18.27 2ofx n ALA 179 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ofx n GLY 180 N 1.36 0.46 0.21 0.00 0.00 0.18 -4.92 105.19 102.48 2ofx n GLY 180 Ca 0.05 -0.38 -0.03 0.00 0.00 0.00 0.00 46.02 45.66 2ofx n GLY 180 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2ofx h GLU 181 N 0.64 0.33 -4.95 1.61 5.08 -1.13 -3.40 114.58 112.76 2ofx h GLU 181 Ca -0.00 -0.14 -0.67 0.00 -1.00 0.00 0.00 59.36 57.54 2ofx h GLU 181 Cb 0.02 -0.01 -0.33 0.00 0.50 0.00 0.00 28.75 28.93 2ofx h GLU 181 CO 0.00 0.65 -0.78 0.42 -1.00 0.00 0.00 179.01 178.30 2ofx s ILE 182 N -4.26 2.63 0.39 3.13 1.01 -1.17 -4.92 121.20 118.00 2ofx s ILE 182 Ca -0.05 -1.03 -0.16 0.00 0.00 0.00 0.00 60.65 59.41 2ofx s ILE 182 Cb 0.13 -2.29 -0.09 0.00 0.01 0.00 0.00 42.46 40.22 2ofx s ILE 182 CO 0.78 0.28 0.83 -1.59 0.00 0.00 0.00 174.94 175.24 2ofx s LYS 183 N 1.30 4.01 -1.16 2.79 0.00 -1.26 -4.24 119.74 121.18 2ofx s LYS 183 Ca 0.01 0.79 -0.06 0.00 0.00 0.00 0.00 55.97 56.71 2ofx s LYS 183 Cb -0.16 -2.32 0.01 0.00 0.00 0.00 0.00 37.83 35.36 2ofx s LYS 183 CO -0.07 0.01 0.77 0.41 0.00 0.00 0.00 175.35 176.47 2ofx n GLY 184 N -0.79 -0.26 3.71 0.59 0.00 -1.25 -4.95 105.19 102.23 2ofx n GLY 184 Ca 0.05 0.02 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 2ofx n GLY 184 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2ofx s PHE 185 N -3.18 3.57 0.08 1.61 5.36 -1.26 -4.44 117.98 119.73 2ofx s PHE 185 Ca 0.38 1.24 -0.36 0.00 -0.96 0.00 0.00 56.93 57.22 2ofx s PHE 185 Cb -0.17 -2.80 -0.16 0.00 -0.34 0.00 0.00 43.02 39.55 2ofx s PHE 185 CO 0.47 0.08 1.41 2.41 -1.46 0.00 0.00 175.22 178.12 2ofx n THR 186 N 3.82 0.02 0.00 0.12 -1.04 -1.26 0.44 114.28 116.38 2ofx n THR 186 Ca -0.01 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 2ofx n THR 186 Cb 0.51 -0.98 0.00 0.00 -1.82 0.00 0.00 70.33 68.04 2ofx n THR 186 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2ofx n GLY 187 N 2.77 3.12 0.37 3.41 0.00 0.25 -4.71 105.19 110.41 2ofx n GLY 187 Ca 0.18 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.05 2ofx n GLY 187 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2ofx n ILE 188 N -1.77 0.88 -2.20 -0.61 2.08 0.05 -4.85 119.36 112.94 2ofx n ILE 188 Ca 0.00 -0.26 0.01 0.00 0.56 0.00 0.00 62.75 63.06 2ofx n ILE 188 Cb 0.00 -1.50 -0.00 0.00 -0.75 0.00 0.00 39.64 37.39 2ofx n ILE 188 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 2ofx n ASP 189 N -3.48 0.28 -3.54 4.38 2.03 0.17 -4.92 116.55 111.47 2ofx n ASP 189 Ca -0.30 -1.89 -0.16 0.00 0.52 0.00 0.00 54.79 52.96 2ofx n ASP 189 Cb 0.75 -0.16 -0.06 0.00 -0.72 0.00 0.00 41.12 40.93 2ofx n ASP 189 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2ofx s SER 190 N -1.29 -0.55 0.33 1.67 0.15 -0.93 -3.88 113.70 109.19 2ofx s SER 190 Ca 0.14 0.46 -0.26 0.00 0.70 0.00 0.00 55.95 56.98 2ofx s SER 190 Cb 0.15 0.51 -0.10 0.00 -1.71 0.00 0.00 66.02 64.88 2ofx s SER 190 CO -0.07 -0.66 0.98 -1.61 1.20 0.00 0.00 173.24 173.08 2ofx s GLU 191 N -1.77 4.53 -0.23 5.44 2.02 -1.26 -0.58 118.70 126.84 2ofx s GLU 191 Ca -0.09 1.42 0.02 0.00 0.02 0.00 0.00 54.97 56.34 2ofx s GLU 191 Cb -0.01 -2.82 0.05 0.00 0.10 0.00 0.00 34.13 31.45 2ofx s GLU 191 CO 0.04 0.21 -0.09 -0.47 0.02 0.00 0.00 175.26 174.97 2ofx s TYR 192 N -1.55 2.73 -0.48 1.61 5.04 -1.26 -4.65 117.35 118.80 2ofx s TYR 192 Ca 0.50 -1.92 -0.22 0.00 -2.44 0.00 0.00 57.07 53.00 2ofx s TYR 192 Cb -0.21 -1.73 0.03 0.00 0.35 0.00 0.00 41.96 40.40 2ofx s TYR 192 CO 0.27 -0.81 0.76 -1.21 -1.34 0.00 0.00 175.55 173.22 2ofx s GLU 193 N 1.29 3.32 0.19 4.97 2.02 0.46 -5.01 118.70 125.95 2ofx s GLU 193 Ca -0.05 -0.31 -0.32 0.00 0.02 0.00 0.00 54.97 54.31 2ofx s GLU 193 Cb -0.18 -3.99 -0.12 0.00 0.10 0.00 0.00 34.13 29.94 2ofx s GLU 193 CO -0.07 -1.18 1.73 0.21 0.02 0.00 0.00 175.26 175.97 2ofx s LYS 194 N 3.22 4.13 -0.04 1.61 2.20 -1.26 -4.51 119.74 125.10 2ofx s LYS 194 Ca 0.26 2.59 -0.37 0.00 -0.36 0.00 0.00 55.97 58.09 2ofx s LYS 194 Cb -0.14 -3.16 -0.15 0.00 -1.51 0.00 0.00 37.83 32.88 2ofx s LYS 194 CO 0.20 -0.75 1.61 -2.30 -0.36 0.00 0.00 175.35 173.74 2ofx n PRO 195 N 4.24 1.54 -0.02 4.03 -0.02 -1.26 -4.90 135.00 138.62 2ofx n PRO 195 Ca 0.16 0.56 0.08 0.00 -2.02 0.00 0.00 63.50 62.28 2ofx n PRO 195 Cb 0.36 -2.28 -0.16 0.00 -0.02 0.00 0.00 33.50 31.40 2ofx n PRO 195 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2ofx n GLU 196 N 4.33 0.66 -2.82 -0.52 -0.58 -1.26 -4.64 120.64 115.81 2ofx n GLU 196 Ca 0.21 -0.14 -0.14 0.00 -0.42 0.00 0.00 57.16 56.67 2ofx n GLU 196 Cb 0.21 -1.54 0.01 0.00 -0.57 0.00 0.00 31.44 29.54 2ofx n GLU 196 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2ofx n ALA 197 N -2.33 3.17 -1.56 0.62 0.00 -1.26 -5.11 120.51 114.04 2ofx n ALA 197 Ca -0.08 -3.38 -0.31 0.00 0.00 0.00 0.00 53.44 49.67 2ofx n ALA 197 Cb 0.67 -0.90 0.05 0.00 0.00 0.00 0.00 19.45 19.27 2ofx n ALA 197 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2ofx s PRO 198 N -2.96 2.92 0.40 0.00 0.04 -1.26 -4.93 135.00 129.21 2ofx s PRO 198 Ca 0.34 0.98 0.17 0.00 0.04 0.00 0.00 61.00 62.53 2ofx s PRO 198 Cb 0.41 -1.99 0.86 0.00 0.04 0.00 0.00 34.50 33.83 2ofx s PRO 198 CO -0.02 -1.12 1.85 0.93 0.04 0.00 0.00 177.00 178.68 2ofx h GLU 199 N -0.68 0.00 -2.73 4.56 3.07 -1.26 -3.45 114.58 114.10 2ofx h GLU 199 Ca -0.44 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 58.31 2ofx h GLU 199 Cb 1.21 0.00 -0.23 0.00 -0.84 0.00 0.00 28.75 28.89 2ofx h GLU 199 CO 0.56 0.32 -0.21 -1.17 -1.40 0.00 0.00 179.01 177.12 2ofx s LEU 200 N -7.71 0.40 -0.13 1.33 2.96 -1.04 -5.01 118.68 109.49 2ofx s LEU 200 Ca -0.02 0.72 -0.02 0.00 -0.22 0.00 0.00 54.13 54.59 2ofx s LEU 200 Cb 0.13 1.48 -0.03 0.00 0.50 0.00 0.00 46.19 48.28 2ofx s LEU 200 CO 0.69 -0.22 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.74 2ofx s VAL 201 N -0.11 3.70 -0.39 1.68 1.01 -1.26 -0.74 120.40 124.28 2ofx s VAL 201 Ca -0.03 -0.44 -0.06 0.00 0.00 0.00 0.00 61.98 61.45 2ofx s VAL 201 Cb -0.03 -2.59 0.08 0.00 0.00 0.00 0.00 36.38 33.84 2ofx s VAL 201 CO 0.02 0.52 0.20 -0.76 0.00 0.00 0.00 175.10 175.08 2ofx s LEU 202 N 0.09 4.93 -1.26 3.92 1.43 -0.13 -4.95 118.68 122.70 2ofx s LEU 202 Ca -0.02 -1.57 -0.19 0.00 -1.03 0.00 0.00 54.13 51.32 2ofx s LEU 202 Cb -0.14 -1.90 0.04 0.00 0.03 0.00 0.00 46.19 44.22 2ofx s LEU 202 CO 0.03 -0.48 1.77 -0.54 0.23 0.00 0.00 176.35 177.36 2ofx s LYS 203 N 1.33 3.67 0.00 1.70 -0.14 -1.26 -0.00 119.74 125.04 2ofx s LYS 203 Ca 0.03 -1.79 0.20 0.00 -1.36 0.00 0.00 55.97 53.04 2ofx s LYS 203 Cb -0.22 -5.47 0.95 0.00 -1.68 0.00 0.00 37.83 31.40 2ofx s LYS 203 CO 0.00 -2.60 1.63 0.25 -0.76 0.00 0.00 175.35 173.87 2ofx n THR 204 N 6.70 0.49 0.24 2.17 -2.24 -1.15 -1.80 114.28 118.69 2ofx n THR 204 Ca 0.48 0.12 0.14 0.00 -2.27 0.00 0.00 64.05 62.51 2ofx n THR 204 Cb 0.46 -0.79 0.42 0.00 -2.10 0.00 0.00 70.33 68.32 2ofx n THR 204 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 2ofx h ASP 205 N 0.00 0.00 0.00 3.42 3.58 -1.87 -3.37 116.42 118.17 2ofx h ASP 205 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2ofx h ASP 205 Cb 0.24 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.29 2ofx h ASP 205 CO 0.00 0.05 0.00 -1.54 -2.88 0.00 0.00 179.24 174.87 2ofx n SER 206 N -3.13 0.54 -4.24 2.28 3.41 -0.74 -5.02 113.62 106.70 2ofx n SER 206 Ca 0.02 -1.16 -0.24 0.00 -0.26 0.00 0.00 58.87 57.23 2ofx n SER 206 Cb 0.43 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.25 2ofx n SER 206 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ofx s ASP 208 N -1.38 4.90 0.18 0.00 1.47 -1.26 -4.69 116.67 115.88 2ofx s ASP 208 Ca 0.06 0.89 -0.13 0.00 1.18 0.00 0.00 52.55 54.55 2ofx s ASP 208 Cb -0.09 -1.52 0.15 0.00 -0.34 0.00 0.00 42.92 41.12 2ofx s ASP 208 CO 0.02 -1.66 1.76 1.62 0.68 0.00 0.00 175.17 177.60 2ofx h VAL 209 N -0.86 0.88 -0.73 2.11 3.04 -1.97 -0.44 116.25 118.28 2ofx h VAL 209 Ca -0.45 -0.14 -0.01 0.00 -1.01 0.00 0.00 66.70 65.09 2ofx h VAL 209 Cb 1.30 0.45 -0.04 0.00 -2.01 0.00 0.00 31.29 31.00 2ofx h VAL 209 CO 0.65 0.07 0.41 0.78 -1.01 0.00 0.00 177.57 178.47 2ofx h ASN 210 N 0.40 0.89 -0.52 3.17 2.35 -1.97 0.38 115.58 120.28 2ofx h ASN 210 Ca 0.22 -0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 55.89 2ofx h ASN 210 Cb 0.20 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 2ofx h ASN 210 CO -0.20 0.71 0.26 0.44 -1.65 0.00 0.00 177.43 176.98 2ofx h ASP 211 N 1.01 0.68 -0.71 5.81 5.19 -1.79 0.27 116.42 126.87 2ofx h ASP 211 Ca 0.26 -0.12 -0.02 0.00 -0.62 0.00 0.00 57.03 56.52 2ofx h ASP 211 Cb 0.01 -0.17 -0.03 0.00 0.18 0.00 0.00 39.33 39.31 2ofx h ASP 211 CO -0.04 0.61 0.36 0.00 -3.12 0.00 0.00 179.24 177.05 2ofx h VAL 213 N 0.98 0.90 -0.89 0.00 2.07 -0.07 -2.34 116.25 116.91 2ofx h VAL 213 Ca 0.25 -0.07 0.03 0.00 0.82 0.00 0.00 66.70 67.73 2ofx h VAL 213 Cb 0.08 0.70 -0.05 0.00 -1.52 0.00 0.00 31.29 30.50 2ofx h VAL 213 CO -0.04 0.03 0.58 1.56 0.02 0.00 0.00 177.57 179.73 2ofx h GLN 214 N 0.19 1.09 -0.60 1.57 1.08 -0.59 0.15 115.11 118.01 2ofx h GLN 214 Ca 0.12 -0.07 -0.08 0.00 -1.45 0.00 0.00 58.65 57.18 2ofx h GLN 214 Cb 0.11 -0.25 -0.02 0.00 -0.05 0.00 0.00 27.48 27.27 2ofx h GLN 214 CO -0.14 0.72 0.07 1.96 -0.95 0.00 0.00 178.83 180.49 2ofx h GLN 215 N 1.12 0.98 -0.21 1.46 4.20 -1.07 0.15 115.11 121.75 2ofx h GLN 215 Ca 0.35 -0.26 -0.10 0.00 0.06 0.00 0.00 58.65 58.70 2ofx h GLN 215 Cb -0.00 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 27.66 2ofx h GLN 215 CO -0.10 0.93 -0.26 0.28 -0.67 0.00 0.00 178.83 179.01 2ofx h VAL 216 N 0.92 1.33 -0.96 -0.54 2.07 -0.72 -1.38 116.25 116.97 2ofx h VAL 216 Ca 0.18 -1.45 0.07 0.00 0.82 0.00 0.00 66.70 66.32 2ofx h VAL 216 Cb 0.44 1.78 -0.07 0.00 -1.52 0.00 0.00 31.29 31.93 2ofx h VAL 216 CO 0.01 0.44 0.61 0.58 0.02 0.00 0.00 177.57 179.24 2ofx h VAL 217 N 0.22 1.05 -0.33 2.57 2.07 -0.65 0.11 116.25 121.29 2ofx h VAL 217 Ca 0.03 -0.38 -0.00 0.00 0.82 0.00 0.00 66.70 67.17 2ofx h VAL 217 Cb 0.82 -0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 2ofx h VAL 217 CO 0.06 0.20 0.20 -0.08 0.02 0.00 0.00 177.57 177.97 2ofx h GLU 218 N 1.09 0.45 -0.11 1.57 4.22 -0.46 0.75 114.58 122.09 2ofx h GLU 218 Ca 0.42 -0.04 0.03 0.00 0.08 0.00 0.00 59.36 59.85 2ofx h GLU 218 Cb 0.21 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 2ofx h GLU 218 CO -0.18 0.35 -0.07 1.25 -2.18 0.00 0.00 179.01 178.17 2ofx h LEU 219 N 0.43 -0.23 -1.61 1.64 5.85 -0.73 -1.66 115.31 118.99 2ofx h LEU 219 Ca 0.12 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 2ofx h LEU 219 Cb 0.01 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 2ofx h LEU 219 CO -0.02 -0.10 0.12 -0.07 -0.34 0.00 0.00 178.44 178.02 2ofx h LEU 220 N -0.08 0.33 -0.30 2.25 3.38 -0.43 -1.07 115.31 119.39 2ofx h LEU 220 Ca 0.07 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.93 2ofx h LEU 220 Cb 0.18 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2ofx h LEU 220 CO -0.16 0.30 -0.16 1.56 0.09 0.00 0.00 178.44 180.07 2ofx h GLN 221 N 0.38 0.64 -0.89 1.13 4.20 -0.65 0.79 115.11 120.70 2ofx h GLN 221 Ca 0.10 -0.28 0.11 0.00 0.06 0.00 0.00 58.65 58.63 2ofx h GLN 221 Cb 0.07 -0.02 -0.08 0.00 0.30 0.00 0.00 27.48 27.75 2ofx h GLN 221 CO -0.01 0.87 0.53 0.93 -0.67 0.00 0.00 178.83 180.48 2ofx h GLU 222 N 0.39 0.82 -0.30 1.46 5.08 -0.67 -1.73 114.58 119.64 2ofx h GLU 222 Ca 0.07 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2ofx h GLU 222 Cb 0.69 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.75 2ofx h GLU 222 CO 0.05 0.54 0.00 0.54 -1.00 0.00 0.00 179.01 179.14 2ofx n ARG 223 N -4.71 1.76 -1.80 2.33 5.12 -0.46 -4.89 116.66 114.00 2ofx n ARG 223 Ca 0.16 -1.17 -0.19 0.00 -1.93 0.00 0.00 57.85 54.72 2ofx n ARG 223 Cb 0.32 -1.29 -0.06 0.00 -1.16 0.00 0.00 32.46 30.27 2ofx n ARG 223 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 2ofx n ASP 224 N 0.43 -5.32 -0.00 0.55 2.03 -0.65 -4.89 116.55 108.70 2ofx n ASP 224 Ca 0.12 0.32 -0.18 0.00 0.52 0.00 0.00 54.79 55.57 2ofx n ASP 224 Cb 0.29 -4.45 -0.14 0.00 -0.72 0.00 0.00 41.12 36.11 2ofx n ASP 224 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 2ofx h ILE 225 N 0.00 1.56 -3.39 5.18 1.08 0.34 -3.42 117.51 118.85 2ofx h ILE 225 Ca -0.40 -2.45 -0.60 0.00 -0.39 0.00 0.00 64.86 61.01 2ofx h ILE 225 Cb 1.26 3.21 -0.11 0.00 -3.07 0.00 0.00 36.82 38.10 2ofx h ILE 225 CO 0.55 0.67 -0.34 -0.69 -0.69 0.00 0.00 178.15 177.65 2ofx s VAL 226 N -2.36 5.30 -1.44 1.67 1.01 -0.70 -4.92 120.40 118.96 2ofx s VAL 226 Ca -0.16 0.49 0.00 0.00 0.00 0.00 0.00 61.98 62.30 2ofx s VAL 226 Cb -0.00 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.76 2ofx s VAL 226 CO 0.77 0.35 0.36 -2.65 0.00 0.00 0.00 175.10 173.93