#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rdx s ASP 2 N 0.00 5.18 -0.06 8.00 -1.08 -1.26 -5.05 116.67 122.40 1rdx s ASP 2 Ca 0.00 2.40 0.04 0.00 -0.52 0.00 0.00 52.55 54.47 1rdx s ASP 2 Cb 0.00 -2.60 -0.00 0.00 -1.46 0.00 0.00 42.92 38.86 1rdx s ASP 2 CO 0.00 -1.60 -0.19 -1.58 0.52 0.00 0.00 175.17 172.32 1rdx s GLN 3 N -3.32 2.16 -0.05 4.34 2.00 -1.26 -5.13 119.66 118.39 1rdx s GLN 3 Ca 0.77 -0.69 -0.04 0.00 -2.00 0.00 0.00 55.36 53.40 1rdx s GLN 3 Cb -0.31 -1.79 0.02 0.00 0.80 0.00 0.00 33.01 31.73 1rdx s GLN 3 CO 0.33 0.23 0.14 0.00 -0.50 0.00 0.00 175.29 175.49 1rdx s ALA 4 N 0.13 -0.33 0.03 1.58 0.00 -1.26 -5.07 121.76 116.84 1rdx s ALA 4 Ca -0.08 0.45 0.00 0.00 0.00 0.00 0.00 51.96 52.34 1rdx s ALA 4 Cb -0.14 -0.28 0.00 0.00 0.00 0.00 0.00 23.12 22.71 1rdx s ALA 4 CO 0.04 -0.09 0.00 0.00 0.00 0.00 0.00 175.76 175.71 1rdx n ALA 5 N 3.27 1.81 -3.00 0.00 0.00 -1.26 -5.18 120.51 116.15 1rdx n ALA 5 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1rdx n ALA 5 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 1rdx n ALA 5 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1rdx n PHE 6 N -2.58 -0.71 -3.14 0.00 1.16 -1.26 -5.15 117.46 105.78 1rdx n PHE 6 Ca 0.00 0.00 -0.39 0.00 -1.87 0.00 0.00 57.45 55.19 1rdx n PHE 6 Cb 0.00 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 37.82 1rdx n PHE 6 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 1rdx s ASP 7 N -0.37 6.92 -0.47 5.98 -1.08 -1.26 -5.00 116.67 121.39 1rdx s ASP 7 Ca 0.00 1.10 0.08 0.00 -0.52 0.00 0.00 52.55 53.21 1rdx s ASP 7 Cb 0.00 -2.37 0.37 0.00 -1.46 0.00 0.00 42.92 39.46 1rdx s ASP 7 CO 0.00 -0.03 0.92 0.35 0.52 0.00 0.00 175.17 176.93 1rdx n THR 8 N 3.48 1.89 0.00 1.71 -2.24 -1.26 -4.58 114.28 113.29 1rdx n THR 8 Ca -0.04 -4.94 0.00 0.00 -2.27 0.00 0.00 64.05 56.80 1rdx n THR 8 Cb 0.51 -0.86 0.00 0.00 -2.10 0.00 0.00 70.33 67.88 1rdx n THR 8 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1rdx n ASN 9 N -0.14 0.00 -4.64 3.42 5.15 -1.26 -5.16 115.26 112.64 1rdx n ASN 9 Ca 0.29 0.00 -0.41 0.00 -0.60 0.00 0.00 54.58 53.86 1rdx n ASN 9 Cb 0.56 0.00 0.02 0.00 -0.53 0.00 0.00 39.78 39.82 1rdx n ASN 9 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 1rdx n ILE 10 N 0.00 2.62 -3.17 -1.44 -5.35 -1.26 -4.94 119.36 105.82 1rdx n ILE 10 Ca 0.00 -0.50 -0.46 0.00 -0.27 0.00 0.00 62.75 61.52 1rdx n ILE 10 Cb 0.00 -1.27 -0.02 0.00 -1.74 0.00 0.00 39.64 36.61 1rdx n ILE 10 CO 0.00 0.00 0.00 0.68 -1.76 0.00 0.00 176.55 175.47 1rdx s VAL 11 N -1.28 5.30 0.48 7.28 -7.23 -1.26 -4.96 120.40 118.73 1rdx s VAL 11 Ca 0.64 -2.23 -0.18 0.00 -1.81 0.00 0.00 61.98 58.40 1rdx s VAL 11 Cb -0.53 -4.61 -0.09 0.00 0.56 0.00 0.00 36.38 31.71 1rdx s VAL 11 CO 0.56 -1.24 0.96 0.42 -0.31 0.00 0.00 175.10 175.50 1rdx s THR 12 N 1.02 4.49 0.20 5.32 -4.23 -1.26 -1.66 115.64 119.53 1rdx s THR 12 Ca 0.25 1.30 -0.10 0.00 -1.18 0.00 0.00 61.69 61.96 1rdx s THR 12 Cb -0.08 -3.67 0.13 0.00 1.34 0.00 0.00 72.50 70.22 1rdx s THR 12 CO -0.09 -0.54 1.76 0.25 -0.54 0.00 0.00 174.62 175.46 1rdx h LEU 13 N 1.32 0.31 -0.85 4.79 6.46 -1.88 0.55 115.31 126.00 1rdx h LEU 13 Ca -0.48 0.06 0.20 0.00 -0.12 0.00 0.00 57.88 57.55 1rdx h LEU 13 Cb 1.18 0.02 -0.12 0.00 -0.73 0.00 0.00 40.66 41.01 1rdx h LEU 13 CO 0.61 0.19 0.32 0.74 -0.62 0.00 0.00 178.44 179.69 1rdx h THR 14 N 0.47 0.48 0.00 1.05 2.02 -1.92 0.12 112.91 115.14 1rdx h THR 14 Ca 0.29 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.35 1rdx h THR 14 Cb 0.31 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.81 1rdx h THR 14 CO -0.26 0.06 0.00 -1.14 0.37 0.00 0.00 175.52 174.55 1rdx n ARG 15 N -5.09 0.23 -0.08 6.66 0.63 0.18 -0.85 116.66 118.35 1rdx n ARG 15 Ca 0.20 0.32 -0.14 0.00 -0.92 0.00 0.00 57.85 57.31 1rdx n ARG 15 Cb 0.60 -1.85 -0.14 0.00 0.45 0.00 0.00 32.46 31.52 1rdx n ARG 15 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1rdx n PHE 16 N -2.27 0.36 0.63 -0.14 7.35 0.27 -3.71 117.46 119.95 1rdx n PHE 16 Ca 0.04 0.10 0.13 0.00 -0.76 0.00 0.00 57.45 56.96 1rdx n PHE 16 Cb 0.33 -1.06 0.44 0.00 0.35 0.00 0.00 39.48 39.54 1rdx n PHE 16 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 1rdx n VAL 17 N -3.08 0.58 0.77 -2.13 0.31 -0.23 0.13 118.33 114.68 1rdx n VAL 17 Ca -0.34 -0.18 0.11 0.00 -0.01 0.00 0.00 64.34 63.92 1rdx n VAL 17 Cb 1.07 -0.67 0.07 0.00 -0.91 0.00 0.00 33.84 33.40 1rdx n VAL 17 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 1rdx n MET 18 N -2.18 0.16 0.00 5.55 0.00 -0.03 -4.16 117.12 116.46 1rdx n MET 18 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.75 1rdx n MET 18 Cb 0.39 -1.55 0.00 0.00 0.00 0.00 0.00 33.22 32.06 1rdx n MET 18 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 1rdx n GLU 19 N -1.75 3.97 0.12 2.12 1.02 -0.97 -4.76 120.64 120.38 1rdx n GLU 19 Ca 0.03 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 56.94 1rdx n GLU 19 Cb 0.39 -0.59 -0.15 0.00 -0.02 0.00 0.00 31.44 31.07 1rdx n GLU 19 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 1rdx h GLN 20 N 0.00 0.53 0.00 3.49 5.75 0.91 -3.23 115.11 122.55 1rdx h GLN 20 Ca 0.00 -0.84 0.00 0.00 -0.15 0.00 0.00 58.65 57.66 1rdx h GLN 20 Cb 0.00 0.30 0.00 0.00 1.07 0.00 0.00 27.48 28.85 1rdx h GLN 20 CO 0.00 1.39 0.00 0.41 -2.65 0.00 0.00 178.83 177.98 1rdx n GLY 21 N 1.61 -0.48 0.00 2.39 0.00 -1.26 -3.16 105.19 104.29 1rdx n GLY 21 Ca -0.16 -0.03 0.15 0.00 0.00 0.00 0.00 46.02 45.98 1rdx n GLY 21 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rdx n ARG 22 N -0.65 0.77 0.15 1.61 3.00 -1.22 0.18 116.66 120.48 1rdx n ARG 22 Ca 0.04 0.00 0.19 0.00 -0.01 0.00 0.00 57.85 58.07 1rdx n ARG 22 Cb 0.02 -1.50 0.78 0.00 0.00 0.00 0.00 32.46 31.76 1rdx n ARG 22 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.63 177.41 1rdx h LYS 23 N 0.00 0.00 0.00 5.56 1.63 -1.83 -3.26 116.57 118.67 1rdx h LYS 23 Ca 0.00 0.00 -0.21 0.00 -0.85 0.00 0.00 60.65 59.59 1rdx h LYS 23 Cb 0.09 0.00 -0.14 0.00 -0.60 0.00 0.00 32.23 31.58 1rdx h LYS 23 CO 0.00 0.00 -0.31 0.00 -3.45 0.00 0.00 179.45 175.69 1rdx n ALA 24 N -2.31 -1.32 -3.39 5.00 0.00 -1.25 -5.02 120.51 112.23 1rdx n ALA 24 Ca 0.05 -1.20 -0.13 0.00 0.00 0.00 0.00 53.44 52.16 1rdx n ALA 24 Cb 0.51 -1.62 0.00 0.00 0.00 0.00 0.00 19.45 18.34 1rdx n ALA 24 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1rdx n ARG 25 N 0.37 -1.52 0.00 0.00 0.63 -1.23 -4.74 116.66 110.16 1rdx n ARG 25 Ca 0.03 1.22 0.00 0.00 -0.92 0.00 0.00 57.85 58.17 1rdx n ARG 25 Cb 0.72 -4.05 0.00 0.00 0.45 0.00 0.00 32.46 29.58 1rdx n ARG 25 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1rdx n GLY 26 N -1.53 0.00 4.44 5.14 0.00 0.13 -4.76 105.19 108.61 1rdx n GLY 26 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1rdx n GLY 26 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1rdx n THR 27 N -0.59 0.00 -1.69 2.61 -1.04 -1.26 -3.99 114.28 108.31 1rdx n THR 27 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1rdx n THR 27 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1rdx n THR 27 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1rdx n GLY 28 N 0.00 0.40 0.00 3.41 0.00 -1.26 -4.96 105.19 102.78 1rdx n GLY 28 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.09 1rdx n GLY 28 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1rdx n GLU 29 N -1.55 0.61 0.13 1.61 1.02 -1.26 -4.73 120.64 116.47 1rdx n GLU 29 Ca 0.00 -0.82 -0.06 0.00 -0.02 0.00 0.00 57.16 56.26 1rdx n GLU 29 Cb 0.35 -0.93 -0.03 0.00 -0.02 0.00 0.00 31.44 30.82 1rdx n GLU 29 CO 0.00 0.00 0.00 1.98 1.18 0.00 0.00 177.13 180.29 1rdx h MET 30 N 0.00 -0.35 0.00 3.49 4.05 -1.93 -3.15 114.93 117.03 1rdx h MET 30 Ca 0.00 0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.44 1rdx h MET 30 Cb 0.29 0.08 0.00 0.00 -0.80 0.00 0.00 31.60 31.17 1rdx h MET 30 CO 0.00 -0.24 0.06 2.41 0.23 0.00 0.00 176.91 179.38 1rdx n THR 31 N -3.87 1.26 0.02 -0.77 -1.04 -1.26 -2.96 114.28 105.66 1rdx n THR 31 Ca -0.05 0.38 -0.03 0.00 -2.04 0.00 0.00 64.05 62.31 1rdx n THR 31 Cb 0.14 -1.38 -0.02 0.00 -1.82 0.00 0.00 70.33 67.26 1rdx n THR 31 CO 0.00 0.00 0.00 -0.61 -0.64 0.00 0.00 175.07 173.82 1rdx h GLN 32 N 0.00 -0.13 -0.00 -2.82 4.15 -1.83 0.27 115.11 114.74 1rdx h GLN 32 Ca 0.00 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.43 1rdx h GLN 32 Cb 0.12 0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.84 1rdx h GLN 32 CO 0.00 -0.09 -0.03 -0.11 -1.93 0.00 0.00 178.83 176.67 1rdx n LEU 33 N -3.02 0.45 -0.04 -2.39 0.00 -1.16 -2.88 117.00 107.98 1rdx n LEU 33 Ca -0.02 -0.08 -0.15 0.00 0.00 0.00 0.00 56.01 55.76 1rdx n LEU 33 Cb 0.08 -0.07 -0.13 0.00 0.00 0.00 0.00 43.42 43.30 1rdx n LEU 33 CO 0.03 0.08 0.35 -0.07 0.00 0.00 0.00 177.39 177.77 1rdx h LEU 34 N 0.66 0.13 -0.60 -1.96 3.38 -1.29 0.32 115.31 115.95 1rdx h LEU 34 Ca 0.00 -0.91 -0.02 0.00 0.09 0.00 0.00 57.88 57.04 1rdx h LEU 34 Cb 0.23 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 1rdx h LEU 34 CO 0.00 1.03 -0.10 -1.13 0.09 0.00 0.00 178.44 178.32 1rdx h ASN 35 N -0.74 0.00 1.32 -0.43 -0.00 -0.59 0.34 115.58 115.47 1rdx h ASN 35 Ca -0.03 0.00 -0.09 0.00 -0.00 0.00 0.00 56.30 56.18 1rdx h ASN 35 Cb 1.08 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 39.38 1rdx h ASN 35 CO 0.04 0.10 -0.71 0.28 -0.00 0.00 0.00 177.43 177.14 1rdx h SER 36 N 0.00 0.00 0.00 1.15 0.02 -1.57 -3.07 113.55 110.08 1rdx h SER 36 Ca -0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1rdx h SER 36 Cb 0.87 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.41 1rdx h SER 36 CO 0.01 0.35 -0.01 0.25 -1.14 0.00 0.00 176.83 176.30 1rdx h LEU 37 N 0.00 0.00 0.00 5.07 5.85 0.03 -3.34 115.31 122.93 1rdx h LEU 37 Ca -0.04 -0.67 0.00 0.00 0.84 0.00 0.00 57.88 58.01 1rdx h LEU 37 Cb 1.31 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.34 1rdx h LEU 37 CO 0.04 0.84 0.00 0.00 -0.34 0.00 0.00 178.44 178.98 1rdx n THR 39 N -1.22 -0.20 0.25 0.00 -1.04 -1.16 -0.48 114.28 110.43 1rdx n THR 39 Ca 0.00 1.20 -0.10 0.00 -2.04 0.00 0.00 64.05 63.11 1rdx n THR 39 Cb 0.00 -1.96 -0.05 0.00 -1.82 0.00 0.00 70.33 66.51 1rdx n THR 39 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1rdx h ALA 40 N 1.10 -1.05 -0.10 2.41 0.00 -1.28 0.57 119.26 120.93 1rdx h ALA 40 Ca 0.55 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.36 1rdx h ALA 40 Cb 1.67 0.24 -0.06 0.00 0.00 0.00 0.00 17.79 19.64 1rdx h ALA 40 CO -0.37 -1.00 -0.47 0.28 0.00 0.00 0.00 179.25 177.70 1rdx h VAL 41 N -0.70 0.09 -0.96 0.00 2.07 -0.83 0.51 116.25 116.43 1rdx h VAL 41 Ca -0.06 0.00 0.27 0.00 0.82 0.00 0.00 66.70 67.73 1rdx h VAL 41 Cb 0.48 0.09 -0.18 0.00 -1.52 0.00 0.00 31.29 30.16 1rdx h VAL 41 CO 0.11 0.00 0.05 0.29 0.02 0.00 0.00 177.57 178.04 1rdx n LYS 42 N -5.44 -0.08 0.08 1.57 5.02 -0.61 -0.63 118.16 118.07 1rdx n LYS 42 Ca -0.05 1.43 -0.10 0.00 -2.02 0.00 0.00 58.31 57.56 1rdx n LYS 42 Cb 0.37 -2.29 -0.07 0.00 -0.02 0.00 0.00 35.03 33.03 1rdx n LYS 42 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1rdx h ALA 43 N 1.92 -0.28 0.00 7.82 0.00 0.17 -3.32 119.26 125.56 1rdx h ALA 43 Ca 0.60 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1rdx h ALA 43 Cb 1.26 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1rdx h ALA 43 CO -0.89 -0.35 0.40 0.82 0.00 0.00 0.00 179.25 179.23 1rdx h ILE 44 N -0.90 0.00 -0.59 0.00 2.04 0.23 -2.69 117.51 115.59 1rdx h ILE 44 Ca -0.03 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.88 1rdx h ILE 44 Cb 0.50 0.56 -0.05 0.00 -0.74 0.00 0.00 36.82 37.09 1rdx h ILE 44 CO 0.05 0.00 0.33 -1.28 0.00 0.00 0.00 178.15 177.25 1rdx h SER 45 N 0.00 0.49 0.00 1.72 0.87 -1.58 -1.34 113.55 113.71 1rdx h SER 45 Ca 0.00 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 1rdx h SER 45 Cb 0.79 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.68 1rdx h SER 45 CO 0.00 0.33 0.00 0.35 -0.53 0.00 0.00 176.83 176.98 1rdx n THR 46 N -4.81 0.00 0.02 2.23 -2.24 -1.01 -1.96 114.28 106.50 1rdx n THR 46 Ca 0.06 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.76 1rdx n THR 46 Cb 0.14 -0.16 -0.06 0.00 -2.10 0.00 0.00 70.33 68.15 1rdx n THR 46 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rdx h ALA 47 N 3.12 -0.15 -0.22 6.98 0.00 -1.41 0.62 119.26 128.20 1rdx h ALA 47 Ca 0.00 -0.21 -0.18 0.00 0.00 0.00 0.00 54.91 54.52 1rdx h ALA 47 Cb 0.00 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1rdx h ALA 47 CO 0.00 -0.18 -0.58 -0.39 0.00 0.00 0.00 179.25 178.10 1rdx h VAL 48 N -0.95 1.30 0.07 0.00 -1.51 -1.65 -3.29 116.25 110.22 1rdx h VAL 48 Ca -0.02 -1.80 -0.24 0.00 -1.23 0.00 0.00 66.70 63.41 1rdx h VAL 48 Cb 0.47 1.75 0.02 0.00 -2.13 0.00 0.00 31.29 31.40 1rdx h VAL 48 CO 0.03 0.57 -1.00 -0.09 -1.23 0.00 0.00 177.57 175.85 1rdx h ARG 49 N 0.54 0.55 0.00 5.19 2.43 -1.48 -3.48 114.38 118.12 1rdx h ARG 49 Ca 0.00 -0.69 0.00 0.00 -0.81 0.00 0.00 59.98 58.49 1rdx h ARG 49 Cb 1.16 0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.93 1rdx h ARG 49 CO 0.12 1.29 0.00 1.17 -1.51 0.00 0.00 179.97 181.04 1rdx n LYS 50 N -3.95 1.81 -0.57 0.20 4.81 0.22 -5.00 118.16 115.68 1rdx n LYS 50 Ca -0.13 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.32 1rdx n LYS 50 Cb 0.87 0.00 -0.00 0.00 0.02 0.00 0.00 35.03 35.92 1rdx n LYS 50 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1rdx n ALA 51 N -3.00 2.07 -0.67 3.14 0.00 -1.25 -4.54 120.51 116.25 1rdx n ALA 51 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 53.44 52.65 1rdx n ALA 51 Cb 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 19.45 19.08 1rdx n ALA 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rdx n GLY 52 N 0.03 0.95 0.00 0.00 0.00 -1.26 0.10 105.19 105.01 1rdx n GLY 52 Ca -0.00 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.53 1rdx n GLY 52 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1rdx n ILE 53 N 0.00 0.00 0.00 -0.61 2.08 -1.26 -5.07 119.36 114.50 1rdx n ILE 53 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 1rdx n ILE 53 Cb 0.00 0.27 0.00 0.00 -0.75 0.00 0.00 39.64 39.16 1rdx n ILE 53 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1rdx n ALA 54 N 0.00 0.00 -2.29 -1.39 0.00 0.29 -5.14 120.51 111.98 1rdx n ALA 54 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1rdx n ALA 54 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1rdx n ALA 54 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1rdx n HIS 55 N 0.00 0.00 0.17 0.00 8.25 -1.15 -4.92 115.22 117.56 1rdx n HIS 55 Ca 0.00 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.51 1rdx n HIS 55 Cb 0.00 0.00 0.15 0.00 1.12 0.00 0.00 29.99 31.26 1rdx n HIS 55 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1rdx h LEU 56 N 0.00 0.00 -8.25 2.41 4.07 -1.99 -3.41 115.31 108.14 1rdx h LEU 56 Ca 0.00 0.00 -0.48 0.00 0.08 0.00 0.00 57.88 57.48 1rdx h LEU 56 Cb 0.00 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 41.67 1rdx h LEU 56 CO 0.00 0.41 1.16 -0.31 -1.08 0.00 0.00 178.44 178.62 1rdx s TYR 57 N -3.18 2.12 0.00 1.13 1.51 -1.26 -4.59 117.35 113.07 1rdx s TYR 57 Ca 0.03 0.03 0.00 0.00 -1.01 0.00 0.00 57.07 56.12 1rdx s TYR 57 Cb 0.08 -4.38 0.00 0.00 -0.11 0.00 0.00 41.96 37.55 1rdx s TYR 57 CO 0.71 -1.97 0.00 0.41 -1.11 0.00 0.00 175.55 173.60 1rdx n GLY 58 N 6.41 -1.16 0.00 0.71 0.00 -1.26 -4.81 105.19 105.08 1rdx n GLY 58 Ca 0.28 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.52 1rdx n GLY 58 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1rdx n ILE 59 N 1.37 0.00 0.12 -0.61 3.06 -1.26 -4.63 119.36 117.41 1rdx n ILE 59 Ca 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 1rdx n ILE 59 Cb 0.00 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.18 1rdx n ILE 59 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1rdx n ALA 60 N -0.01 0.26 0.00 1.51 0.00 -1.26 -5.19 120.51 115.82 1rdx n ALA 60 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1rdx n ALA 60 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1rdx n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rdx n GLY 61 N -1.24 0.62 2.07 0.00 0.00 -1.26 -4.98 105.19 100.40 1rdx n GLY 61 Ca 0.00 -1.31 -0.15 0.00 0.00 0.00 0.00 46.02 44.56 1rdx n GLY 61 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1rdx n SER 62 N 0.00 5.58 -4.77 1.61 2.88 -1.26 -4.95 113.62 112.70 1rdx n SER 62 Ca 0.00 -2.56 -0.41 0.00 -1.33 0.00 0.00 58.87 54.57 1rdx n SER 62 Cb 0.00 -1.41 -0.00 0.00 -0.75 0.00 0.00 64.21 62.05 1rdx n SER 62 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1rdx n THR 63 N 2.39 1.73 -2.23 2.46 -1.04 -1.26 -4.87 114.28 111.45 1rdx n THR 63 Ca 0.46 -0.43 -0.35 0.00 -2.04 0.00 0.00 64.05 61.69 1rdx n THR 63 Cb 0.84 -1.99 -0.04 0.00 -1.82 0.00 0.00 70.33 67.32 1rdx n THR 63 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 1rdx s ASN 64 N 0.05 5.63 -0.72 8.00 0.01 -1.26 -4.79 114.94 121.86 1rdx s ASN 64 Ca 0.56 -0.62 -0.02 0.00 -0.71 0.00 0.00 52.86 52.07 1rdx s ASN 64 Cb -0.48 -2.56 0.40 0.00 0.41 0.00 0.00 41.25 39.03 1rdx s ASN 64 CO 0.60 -2.25 2.05 0.55 -1.51 0.00 0.00 177.10 176.54 1rdx n VAL 65 N 7.30 3.60 1.05 1.60 3.14 -1.26 -4.73 118.33 129.03 1rdx n VAL 65 Ca 0.29 -3.35 0.06 0.00 -2.96 0.00 0.00 64.34 58.38 1rdx n VAL 65 Cb 0.49 -1.20 0.36 0.00 -1.06 0.00 0.00 33.84 32.44 1rdx n VAL 65 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 1rdx n THR 66 N -0.72 0.00 0.33 1.55 -2.24 -1.26 -3.55 114.28 108.39 1rdx n THR 66 Ca 0.59 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 62.45 1rdx n THR 66 Cb 0.51 -0.60 0.39 0.00 -2.10 0.00 0.00 70.33 68.53 1rdx n THR 66 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rdx n GLY 67 N 0.04 -1.02 3.23 3.38 0.00 -1.26 -4.75 105.19 104.82 1rdx n GLY 67 Ca 0.09 0.05 -0.11 0.00 0.00 0.00 0.00 46.02 46.06 1rdx n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1rdx s ASP 68 N -3.68 0.16 -0.36 1.61 1.01 -1.23 -5.09 116.67 109.08 1rdx s ASP 68 Ca 0.03 -1.26 0.14 0.00 0.71 0.00 0.00 52.55 52.18 1rdx s ASP 68 Cb 0.08 0.38 0.43 0.00 1.01 0.00 0.00 42.92 44.82 1rdx s ASP 68 CO 0.27 -0.84 0.94 0.00 0.21 0.00 0.00 175.17 175.75 1rdx n GLN 69 N -0.23 1.58 -3.70 8.23 6.02 -1.26 -5.04 117.38 122.98 1rdx n GLN 69 Ca -0.01 -3.55 -0.10 0.00 -0.01 0.00 0.00 57.00 53.33 1rdx n GLN 69 Cb 0.65 -1.53 -0.11 0.00 1.02 0.00 0.00 30.24 30.27 1rdx n GLN 69 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1rdx s VAL 70 N -3.46 -0.06 0.86 5.09 1.01 -1.26 -5.16 120.40 117.41 1rdx s VAL 70 Ca 0.34 0.10 -0.13 0.00 0.00 0.00 0.00 61.98 62.29 1rdx s VAL 70 Cb 0.42 -0.60 0.07 0.00 0.00 0.00 0.00 36.38 36.28 1rdx s VAL 70 CO -0.03 0.04 0.88 0.29 0.00 0.00 0.00 175.10 176.28 1rdx n LYS 71 N 4.32 -0.07 0.11 2.72 4.01 -1.26 -4.96 118.16 123.03 1rdx n LYS 71 Ca -0.23 0.05 0.01 0.00 -0.51 0.00 0.00 58.31 57.63 1rdx n LYS 71 Cb 0.55 -2.18 -0.01 0.00 -0.51 0.00 0.00 35.03 32.87 1rdx n LYS 71 CO 0.00 0.00 0.00 0.87 -1.11 0.00 0.00 177.40 177.16 1rdx h LYS 72 N -1.22 0.00 0.00 1.97 1.79 -2.04 -3.21 116.57 113.87 1rdx h LYS 72 Ca -0.45 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.02 1rdx h LYS 72 Cb 1.30 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.95 1rdx h LYS 72 CO 0.41 0.50 0.00 -0.11 -1.08 0.00 0.00 179.45 179.17 1rdx n LEU 73 N -3.16 0.00 0.11 2.94 7.94 -1.26 -1.71 117.00 121.87 1rdx n LEU 73 Ca -0.01 0.35 0.13 0.00 -1.11 0.00 0.00 56.01 55.37 1rdx n LEU 73 Cb 0.78 -0.35 0.41 0.00 0.53 0.00 0.00 43.42 44.78 1rdx n LEU 73 CO 0.42 -0.34 0.88 0.44 -1.11 0.00 0.00 177.39 177.68 1rdx h ASP 74 N 0.00 0.00 0.00 1.96 5.19 -1.94 -2.83 116.42 118.80 1rdx h ASP 74 Ca 0.00 0.00 -0.13 0.00 -0.62 0.00 0.00 57.03 56.28 1rdx h ASP 74 Cb 0.02 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.50 1rdx h ASP 74 CO 0.00 0.00 -1.50 0.52 -3.12 0.00 0.00 179.24 175.14 1rdx n VAL 75 N -2.30 0.50 0.12 -1.35 0.31 -0.69 -3.72 118.33 111.19 1rdx n VAL 75 Ca 0.05 -0.29 -0.02 0.00 -0.01 0.00 0.00 64.34 64.07 1rdx n VAL 75 Cb 0.41 -0.81 0.20 0.00 -0.91 0.00 0.00 33.84 32.74 1rdx n VAL 75 CO 0.00 0.00 0.00 0.17 -1.32 0.00 0.00 176.83 175.68 1rdx h LEU 76 N 0.00 0.15 0.00 7.52 -0.00 -1.69 -0.18 115.31 121.11 1rdx h LEU 76 Ca -0.20 -0.08 -0.20 0.00 -0.00 0.00 0.00 57.88 57.40 1rdx h LEU 76 Cb 1.42 -0.04 -0.03 0.00 -0.00 0.00 0.00 40.66 42.01 1rdx h LEU 76 CO 0.00 0.64 -0.97 0.28 -0.00 0.00 0.00 178.44 178.39 1rdx h SER 77 N 0.11 0.00 0.05 0.17 0.02 -1.73 -3.10 113.55 109.08 1rdx h SER 77 Ca 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1rdx h SER 77 Cb 0.94 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.48 1rdx h SER 77 CO 0.07 0.96 -0.02 -1.13 -1.14 0.00 0.00 176.83 175.57 1rdx h ASN 78 N 0.00 -0.06 -0.89 3.07 -1.24 -1.58 -3.17 115.58 111.71 1rdx h ASN 78 Ca -0.02 0.00 0.17 0.00 0.71 0.00 0.00 56.30 57.16 1rdx h ASN 78 Cb 1.74 0.01 -0.16 0.00 0.73 0.00 0.00 38.32 40.64 1rdx h ASN 78 CO 0.12 0.10 -0.28 0.44 -1.29 0.00 0.00 177.43 176.53 1rdx h ASP 79 N -0.35 -1.02 -0.73 1.15 3.32 -1.21 0.64 116.42 118.22 1rdx h ASP 79 Ca -0.01 0.28 0.11 0.00 0.02 0.00 0.00 57.03 57.43 1rdx h ASP 79 Cb 0.05 0.61 -0.13 0.00 0.22 0.00 0.00 39.33 40.08 1rdx h ASP 79 CO 0.01 -0.30 -0.40 0.25 -1.72 0.00 0.00 179.24 177.08 1rdx h LEU 80 N -0.02 -1.42 0.51 1.55 5.85 -1.68 1.17 115.31 121.27 1rdx h LEU 80 Ca 0.39 0.26 -0.03 0.00 0.84 0.00 0.00 57.88 59.35 1rdx h LEU 80 Cb 0.63 0.69 0.01 0.00 0.37 0.00 0.00 40.66 42.36 1rdx h LEU 80 CO -0.91 -0.31 -0.25 0.58 -0.34 0.00 0.00 178.44 177.21 1rdx h VAL 81 N -0.13 0.45 0.00 1.05 2.07 0.17 0.52 116.25 120.38 1rdx h VAL 81 Ca 0.24 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1rdx h VAL 81 Cb 0.56 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 1rdx h VAL 81 CO -0.79 0.04 0.07 -0.38 0.02 0.00 0.00 177.57 176.53 1rdx n ILE 82 N -5.32 1.55 -0.10 4.57 5.41 0.38 -1.37 119.36 124.48 1rdx n ILE 82 Ca -0.12 0.55 -0.12 0.00 1.00 0.00 0.00 62.75 64.07 1rdx n ILE 82 Cb 0.31 -1.55 -0.11 0.00 -0.71 0.00 0.00 39.64 37.58 1rdx n ILE 82 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1rdx n ASN 83 N -1.60 1.70 0.08 4.38 3.02 0.39 -3.91 115.26 119.32 1rdx n ASN 83 Ca -0.00 -0.06 -0.04 0.00 -0.03 0.00 0.00 54.58 54.44 1rdx n ASN 83 Cb 0.08 0.23 0.15 0.00 -0.61 0.00 0.00 39.78 39.62 1rdx n ASN 83 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 1rdx h VAL 84 N 0.00 1.36 0.14 2.41 -1.51 0.13 -3.33 116.25 115.45 1rdx h VAL 84 Ca -0.46 -1.85 -0.01 0.00 -1.23 0.00 0.00 66.70 63.15 1rdx h VAL 84 Cb 1.87 1.91 0.00 0.00 -2.13 0.00 0.00 31.29 32.94 1rdx h VAL 84 CO -0.03 0.55 -0.07 -0.07 -1.23 0.00 0.00 177.57 176.72 1rdx h LEU 85 N 0.19 -0.16 -2.03 4.19 3.38 -1.37 -3.26 115.31 116.25 1rdx h LEU 85 Ca 0.00 -0.37 0.09 0.00 0.09 0.00 0.00 57.88 57.69 1rdx h LEU 85 Cb 1.03 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 1rdx h LEU 85 CO 0.09 0.34 0.38 0.11 0.09 0.00 0.00 178.44 179.44 1rdx h LYS 86 N -0.72 0.00 0.00 1.13 1.57 -1.68 -1.34 116.57 115.53 1rdx h LYS 86 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1rdx h LYS 86 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1rdx h LYS 86 CO 0.03 0.00 0.00 0.43 -0.57 0.00 0.00 179.45 179.34 1rdx n SER 87 N -3.59 0.55 -0.04 0.86 7.64 -1.23 -1.16 113.62 116.64 1rdx n SER 87 Ca 0.05 0.62 0.12 0.00 1.01 0.00 0.00 58.87 60.68 1rdx n SER 87 Cb 0.53 -0.74 0.32 0.00 -1.01 0.00 0.00 64.21 63.30 1rdx n SER 87 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1rdx n SER 88 N -2.09 0.54 0.00 6.43 3.41 -0.50 -4.93 113.62 116.47 1rdx n SER 88 Ca 0.03 -0.30 0.00 0.00 -0.26 0.00 0.00 58.87 58.34 1rdx n SER 88 Cb 0.24 0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.34 1rdx n SER 88 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1rdx n PHE 89 N -1.34 0.00 0.06 7.33 3.01 -0.31 -4.78 117.46 121.43 1rdx n PHE 89 Ca 0.07 0.00 0.01 0.00 1.01 0.00 0.00 57.45 58.54 1rdx n PHE 89 Cb 0.33 0.00 0.03 0.00 -0.01 0.00 0.00 39.48 39.84 1rdx n PHE 89 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1rdx n ALA 90 N 0.00 0.15 -0.70 4.37 0.00 -1.25 -0.04 120.51 123.04 1rdx n ALA 90 Ca 0.00 0.01 -0.32 0.00 0.00 0.00 0.00 53.44 53.13 1rdx n ALA 90 Cb 0.00 -0.16 0.16 0.00 0.00 0.00 0.00 19.45 19.44 1rdx n ALA 90 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1rdx n THR 91 N -1.34 0.00 0.08 0.00 -2.24 -1.26 -0.64 114.28 108.88 1rdx n THR 91 Ca -0.00 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 1rdx n THR 91 Cb 0.50 -0.67 0.00 0.00 -2.10 0.00 0.00 70.33 68.06 1rdx n THR 91 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rdx s VAL 93 N -1.45 1.37 -0.02 0.00 1.01 -1.22 -4.32 120.40 115.78 1rdx s VAL 93 Ca 0.00 -2.01 0.01 0.00 0.00 0.00 0.00 61.98 59.98 1rdx s VAL 93 Cb 0.00 -1.81 0.01 0.00 0.00 0.00 0.00 36.38 34.57 1rdx s VAL 93 CO 0.00 -0.61 -0.04 -0.76 0.00 0.00 0.00 175.10 173.69 1rdx s LEU 94 N -3.01 1.69 -0.15 3.92 2.01 -0.95 -3.60 118.68 118.60 1rdx s LEU 94 Ca 0.16 -0.08 -0.11 0.00 0.01 0.00 0.00 54.13 54.11 1rdx s LEU 94 Cb -0.00 -0.28 0.05 0.00 0.01 0.00 0.00 46.19 45.96 1rdx s LEU 94 CO 0.03 0.00 0.39 -0.69 1.01 0.00 0.00 176.35 177.09 1rdx s VAL 95 N 0.33 -0.01 0.00 -1.59 1.01 -1.24 -3.57 120.40 115.33 1rdx s VAL 95 Ca -0.04 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.00 1rdx s VAL 95 Cb -0.07 -0.56 0.00 0.00 0.00 0.00 0.00 36.38 35.75 1rdx s VAL 95 CO -0.00 0.02 0.00 0.41 0.00 0.00 0.00 175.10 175.53 1rdx n THR 96 N 3.59 0.00 0.00 3.92 -1.04 -1.24 -0.06 114.28 119.45 1rdx n THR 96 Ca -0.19 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.82 1rdx n THR 96 Cb 0.56 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.07 1rdx n THR 96 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1rdx n GLU 97 N 0.00 0.00 -1.01 -2.82 0.00 -1.20 -4.79 120.64 110.83 1rdx n GLU 97 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 57.16 57.03 1rdx n GLU 97 Cb 0.00 -0.51 -0.11 0.00 0.00 0.00 0.00 31.44 30.82 1rdx n GLU 97 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1rdx n GLU 98 N -2.64 1.90 -2.02 5.31 -0.58 -1.26 -4.73 120.64 116.62 1rdx n GLU 98 Ca 0.00 -1.13 -0.00 0.00 -0.42 0.00 0.00 57.16 55.61 1rdx n GLU 98 Cb 0.35 -1.84 0.00 0.00 -0.57 0.00 0.00 31.44 29.38 1rdx n GLU 98 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1rdx n ASP 99 N 1.90 -0.34 -3.59 1.62 9.92 -1.26 -4.91 116.55 119.89 1rdx n ASP 99 Ca 0.36 -1.16 -0.15 0.00 -0.53 0.00 0.00 54.79 53.32 1rdx n ASP 99 Cb 0.76 0.54 -0.07 0.00 -0.64 0.00 0.00 41.12 41.72 1rdx n ASP 99 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1rdx s LYS 100 N -2.01 0.88 0.37 -1.24 3.01 -1.26 -4.92 119.74 114.56 1rdx s LYS 100 Ca 0.05 0.72 0.00 0.00 -1.01 0.00 0.00 55.97 55.73 1rdx s LYS 100 Cb -0.00 0.42 0.00 0.00 -1.01 0.00 0.00 37.83 37.24 1rdx s LYS 100 CO 0.01 -0.17 0.00 -1.71 0.51 0.00 0.00 175.35 173.99 1rdx n ASN 101 N 2.05 -4.61 -4.63 2.83 5.15 -1.26 -4.77 115.26 110.02 1rdx n ASN 101 Ca -0.15 0.87 -0.43 0.00 -0.60 0.00 0.00 54.58 54.27 1rdx n ASN 101 Cb 0.56 -2.92 -0.02 0.00 -0.53 0.00 0.00 39.78 36.86 1rdx n ASN 101 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1rdx s ALA 102 N -3.79 3.39 -0.04 5.20 0.00 -1.26 -4.87 121.76 120.39 1rdx s ALA 102 Ca 0.00 0.04 -0.01 0.00 0.00 0.00 0.00 51.96 51.99 1rdx s ALA 102 Cb 0.00 -3.75 -0.04 0.00 0.00 0.00 0.00 23.12 19.33 1rdx s ALA 102 CO 0.00 -1.71 0.04 0.42 0.00 0.00 0.00 175.76 174.51 1rdx s ILE 103 N 4.17 4.54 0.40 0.00 1.09 -1.23 -4.96 121.20 125.20 1rdx s ILE 103 Ca 0.53 -0.36 0.02 0.00 -1.10 0.00 0.00 60.65 59.75 1rdx s ILE 103 Cb -0.15 -3.01 -0.01 0.00 -1.06 0.00 0.00 42.46 38.23 1rdx s ILE 103 CO 0.21 0.45 0.09 -0.38 -0.10 0.00 0.00 174.94 175.21 1rdx n ILE 104 N 1.57 0.00 -3.87 2.92 2.08 -1.26 -2.23 119.36 118.57 1rdx n ILE 104 Ca -0.16 -2.15 -0.30 0.00 0.56 0.00 0.00 62.75 60.70 1rdx n ILE 104 Cb 0.53 0.66 -0.15 0.00 -0.75 0.00 0.00 39.64 39.93 1rdx n ILE 104 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 1rdx s VAL 105 N -2.84 1.47 0.00 1.39 1.01 -1.26 -5.04 120.40 115.13 1rdx s VAL 105 Ca 0.13 -1.71 0.00 0.00 0.00 0.00 0.00 61.98 60.39 1rdx s VAL 105 Cb 0.01 -2.05 0.00 0.00 0.00 0.00 0.00 36.38 34.34 1rdx s VAL 105 CO 0.09 -0.57 0.00 -0.62 0.00 0.00 0.00 175.10 174.00 1rdx n GLU 106 N 4.61 0.00 0.00 2.72 4.71 -1.26 -3.75 120.64 127.67 1rdx n GLU 106 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.14 1rdx n GLU 106 Cb 0.42 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.85 1rdx n GLU 106 CO 0.00 0.00 0.00 -0.35 0.09 0.00 0.00 177.13 176.87 1rdx n PRO 107 N 0.00 0.66 0.00 3.49 -0.04 -1.26 -0.84 135.00 137.01 1rdx n PRO 107 Ca 0.00 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.57 1rdx n PRO 107 Cb 0.00 -1.30 0.04 0.00 -0.04 0.00 0.00 33.50 32.20 1rdx n PRO 107 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1rdx n GLU 108 N 0.27 1.40 0.00 0.54 0.28 -1.26 -4.89 120.64 116.99 1rdx n GLU 108 Ca 0.00 -1.15 0.00 0.00 -0.16 0.00 0.00 57.16 55.85 1rdx n GLU 108 Cb 0.20 -1.48 0.00 0.00 1.43 0.00 0.00 31.44 31.59 1rdx n GLU 108 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1rdx n LYS 109 N 0.20 0.00 -1.07 3.44 5.02 -0.02 -5.10 118.16 120.63 1rdx n LYS 109 Ca 0.10 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.44 1rdx n LYS 109 Cb 0.49 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.47 1rdx n LYS 109 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1rdx n ARG 110 N 0.00 -2.70 0.14 1.97 1.74 0.95 -4.92 116.66 113.84 1rdx n ARG 110 Ca 0.00 2.13 0.00 0.00 -0.77 0.00 0.00 57.85 59.21 1rdx n ARG 110 Cb 0.00 -2.80 0.00 0.00 -1.02 0.00 0.00 32.46 28.64 1rdx n ARG 110 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1rdx n GLY 111 N -2.81 -0.59 0.00 -0.13 0.00 -0.41 -3.81 105.19 97.44 1rdx n GLY 111 Ca -0.03 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1rdx n GLY 111 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1rdx n LYS 112 N -3.32 0.00 -4.51 1.61 2.85 -0.22 -4.93 118.16 109.63 1rdx n LYS 112 Ca 0.00 0.00 -0.32 0.00 -1.05 0.00 0.00 58.31 56.94 1rdx n LYS 112 Cb 0.00 0.00 -0.11 0.00 -0.65 0.00 0.00 35.03 34.27 1rdx n LYS 112 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 1rdx s TYR 113 N 0.00 2.84 -0.49 5.58 1.51 0.18 -2.06 117.35 124.91 1rdx s TYR 113 Ca 0.00 -0.07 0.03 0.00 -1.01 0.00 0.00 57.07 56.02 1rdx s TYR 113 Cb 0.00 -1.59 0.14 0.00 -0.11 0.00 0.00 41.96 40.40 1rdx s TYR 113 CO 0.00 0.35 0.28 0.08 -1.11 0.00 0.00 175.55 175.15 1rdx s VAL 114 N -0.97 1.87 -0.25 0.71 1.01 0.10 0.59 120.40 123.47 1rdx s VAL 114 Ca 0.16 -2.99 -0.28 0.00 0.00 0.00 0.00 61.98 58.87 1rdx s VAL 114 Cb -0.11 -2.29 0.01 0.00 0.00 0.00 0.00 36.38 33.98 1rdx s VAL 114 CO 0.07 -0.90 0.99 -0.69 0.00 0.00 0.00 175.10 174.56 1rdx s VAL 115 N -0.07 4.70 -0.15 2.92 1.01 -1.24 -0.35 120.40 127.23 1rdx s VAL 115 Ca 0.19 1.86 -0.03 0.00 0.00 0.00 0.00 61.98 64.00 1rdx s VAL 115 Cb -0.21 -4.27 -0.03 0.00 0.00 0.00 0.00 36.38 31.87 1rdx s VAL 115 CO -0.03 -0.19 -0.05 0.00 0.00 0.00 0.00 175.10 174.83 1rdx n PHE 117 N 3.47 0.00 -3.73 0.00 -1.74 0.91 -0.32 117.46 116.05 1rdx n PHE 117 Ca -0.17 0.00 -0.12 0.00 -0.56 0.00 0.00 57.45 56.60 1rdx n PHE 117 Cb 0.53 0.00 -0.11 0.00 1.52 0.00 0.00 39.48 41.41 1rdx n PHE 117 CO 0.00 0.00 0.00 0.34 -0.56 0.00 0.00 176.76 176.54 1rdx s ASP 118 N 1.77 -0.39 0.12 5.98 -1.08 -1.21 -3.22 116.67 118.64 1rdx s ASP 118 Ca 0.00 0.72 -0.33 0.00 -0.52 0.00 0.00 52.55 52.41 1rdx s ASP 118 Cb 0.00 0.65 -0.12 0.00 -1.46 0.00 0.00 42.92 41.99 1rdx s ASP 118 CO 0.00 -0.15 1.55 1.55 0.52 0.00 0.00 175.17 178.63 1rdx h PRO 119 N 6.48 -0.48 -1.10 4.34 0.13 -1.90 -3.40 132.00 136.07 1rdx h PRO 119 Ca -0.33 0.03 -0.20 0.00 -0.87 0.00 0.00 66.00 64.63 1rdx h PRO 119 Cb 1.18 0.11 -0.18 0.00 0.13 0.00 0.00 31.00 32.24 1rdx h PRO 119 CO 0.31 -0.32 -0.54 -0.11 -0.23 0.00 0.00 178.00 177.11 1rdx n LEU 120 N -5.38 -3.15 -4.74 1.56 0.00 -1.26 -4.85 117.00 99.19 1rdx n LEU 120 Ca -0.05 -3.08 -0.42 0.00 0.00 0.00 0.00 56.01 52.46 1rdx n LEU 120 Cb 0.36 0.74 -0.01 0.00 0.00 0.00 0.00 43.42 44.51 1rdx n LEU 120 CO 0.05 1.94 1.11 -0.90 0.00 0.00 0.00 177.39 179.58 1rdx n ASP 121 N 2.88 3.50 0.00 1.96 5.75 -1.16 -2.99 116.55 126.48 1rdx n ASP 121 Ca 0.19 1.19 0.00 0.00 -0.01 0.00 0.00 54.79 56.16 1rdx n ASP 121 Cb 0.55 -1.57 0.00 0.00 -1.03 0.00 0.00 41.12 39.08 1rdx n ASP 121 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1rdx n GLY 122 N 1.18 3.15 1.93 6.12 0.00 -1.26 -3.84 105.19 112.47 1rdx n GLY 122 Ca 0.05 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.19 1rdx n GLY 122 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1rdx n SER 123 N 0.48 0.00 -0.24 1.61 7.64 -1.16 -1.15 113.62 120.80 1rdx n SER 123 Ca 0.00 0.00 0.23 0.00 1.01 0.00 0.00 58.87 60.11 1rdx n SER 123 Cb 0.00 0.00 0.42 0.00 -1.01 0.00 0.00 64.21 63.62 1rdx n SER 123 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1rdx n SER 124 N 0.23 0.22 -0.13 6.43 7.64 -1.26 0.17 113.62 126.92 1rdx n SER 124 Ca 0.00 1.10 0.00 0.00 1.01 0.00 0.00 58.87 60.98 1rdx n SER 124 Cb 0.00 -0.54 0.00 0.00 -1.01 0.00 0.00 64.21 62.66 1rdx n SER 124 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1rdx n ASN 125 N -4.45 0.25 -0.01 6.43 3.02 -0.30 -1.02 115.26 119.18 1rdx n ASN 125 Ca 0.26 -1.98 0.11 0.00 -0.03 0.00 0.00 54.58 52.95 1rdx n ASN 125 Cb 0.93 -0.13 -0.16 0.00 -0.61 0.00 0.00 39.78 39.81 1rdx n ASN 125 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1rdx n ILE 126 N -0.37 0.00 -0.05 2.41 0.13 0.45 -0.86 119.36 121.07 1rdx n ILE 126 Ca 0.00 -0.47 -0.12 0.00 -1.10 0.00 0.00 62.75 61.06 1rdx n ILE 126 Cb 0.06 0.05 -0.06 0.00 -0.84 0.00 0.00 39.64 38.85 1rdx n ILE 126 CO 0.00 0.00 0.00 -0.78 2.80 0.00 0.00 176.55 178.57 1rdx h ASP 127 N 0.00 0.31 0.19 9.51 1.82 -1.19 0.23 116.42 127.30 1rdx h ASP 127 Ca 0.00 -0.37 0.00 0.00 -0.39 0.00 0.00 57.03 56.27 1rdx h ASP 127 Cb 0.96 -0.09 0.00 0.00 0.68 0.00 0.00 39.33 40.88 1rdx h ASP 127 CO 0.00 0.61 0.00 0.00 -1.61 0.00 0.00 179.24 178.24 1rdx n LEU 129 N -1.19 -0.71 -4.75 0.00 4.77 0.80 -5.02 117.00 110.90 1rdx n LEU 129 Ca 0.09 0.26 -0.37 0.00 -0.03 0.00 0.00 56.01 55.96 1rdx n LEU 129 Cb 0.10 -1.76 0.03 0.00 -2.33 0.00 0.00 43.42 39.47 1rdx n LEU 129 CO 0.11 -0.58 0.88 -0.69 -1.33 0.00 0.00 177.39 175.78 1rdx s VAL 130 N -2.34 2.49 -1.17 4.08 1.01 -0.04 -4.88 120.40 119.55 1rdx s VAL 130 Ca 0.00 0.32 -0.21 0.00 0.00 0.00 0.00 61.98 62.10 1rdx s VAL 130 Cb 0.00 -3.14 0.05 0.00 0.00 0.00 0.00 36.38 33.28 1rdx s VAL 130 CO 0.00 -0.05 1.65 -0.94 0.00 0.00 0.00 175.10 175.77 1rdx s SER 131 N -1.40 6.51 0.22 3.32 1.04 -1.26 -4.48 113.70 117.65 1rdx s SER 131 Ca 0.75 -1.93 0.00 0.00 0.48 0.00 0.00 55.95 55.25 1rdx s SER 131 Cb -0.33 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.21 1rdx s SER 131 CO 0.37 -1.51 0.00 2.30 0.98 0.00 0.00 173.24 175.39 1rdx n ILE 132 N 6.75 0.00 -0.72 -1.02 -5.35 -1.26 -4.75 119.36 113.01 1rdx n ILE 132 Ca 0.42 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.90 1rdx n ILE 132 Cb 0.48 -1.71 0.00 0.00 -1.74 0.00 0.00 39.64 36.67 1rdx n ILE 132 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1rdx n GLY 133 N 5.00 3.38 3.64 3.28 0.00 -1.25 -2.78 105.19 116.46 1rdx n GLY 133 Ca 0.00 -0.36 -0.08 0.00 0.00 0.00 0.00 46.02 45.58 1rdx n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rdx s THR 134 N -0.68 0.00 0.05 2.61 2.01 0.76 -3.00 115.64 117.39 1rdx s THR 134 Ca 0.00 0.00 -0.17 0.00 0.31 0.00 0.00 61.69 61.83 1rdx s THR 134 Cb 0.00 -1.00 -0.06 0.00 0.01 0.00 0.00 72.50 71.45 1rdx s THR 134 CO 0.00 0.00 0.51 -0.63 -0.69 0.00 0.00 174.62 173.81 1rdx s ILE 135 N 1.22 4.85 -0.35 1.82 1.01 -1.26 -0.95 121.20 127.54 1rdx s ILE 135 Ca -0.07 1.06 -0.00 0.00 0.00 0.00 0.00 60.65 61.64 1rdx s ILE 135 Cb -0.05 -3.82 0.19 0.00 0.01 0.00 0.00 42.46 38.79 1rdx s ILE 135 CO -0.13 0.55 0.81 0.72 0.00 0.00 0.00 174.94 176.88 1rdx s PHE 136 N -1.12 -1.17 0.70 3.97 -0.12 0.40 -3.31 117.98 117.32 1rdx s PHE 136 Ca 0.28 0.36 -0.07 0.00 -0.05 0.00 0.00 56.93 57.45 1rdx s PHE 136 Cb -0.18 0.21 0.06 0.00 -0.63 0.00 0.00 43.02 42.47 1rdx s PHE 136 CO 0.17 -0.75 1.01 0.20 -0.05 0.00 0.00 175.22 175.80 1rdx s GLY 137 N 2.24 1.67 0.09 1.99 0.00 0.57 -3.05 107.32 110.83 1rdx s GLY 137 Ca 0.16 -0.88 0.04 0.00 0.00 0.00 0.00 44.72 44.04 1rdx s GLY 137 CO -0.15 -0.48 -0.10 -0.42 0.00 0.00 0.00 173.10 171.94 1rdx s ILE 138 N -3.23 0.92 -0.02 0.90 1.09 -1.23 -0.44 121.20 119.19 1rdx s ILE 138 Ca 0.59 -1.61 0.05 0.00 -1.10 0.00 0.00 60.65 58.59 1rdx s ILE 138 Cb -0.11 -1.32 -0.01 0.00 -1.06 0.00 0.00 42.46 39.96 1rdx s ILE 138 CO 0.45 -0.55 -0.18 -0.31 -0.10 0.00 0.00 174.94 174.25 1rdx s TYR 139 N -2.39 1.63 -0.41 3.97 1.51 0.53 -4.22 117.35 117.98 1rdx s TYR 139 Ca 0.05 -0.34 -0.00 0.00 -1.01 0.00 0.00 57.07 55.76 1rdx s TYR 139 Cb -0.03 -1.06 0.11 0.00 -0.11 0.00 0.00 41.96 40.87 1rdx s TYR 139 CO -0.00 -0.06 0.18 0.50 -1.11 0.00 0.00 175.55 175.06 1rdx s ARG 140 N -0.33 1.88 0.69 -0.62 3.00 -1.25 0.03 118.95 122.34 1rdx s ARG 140 Ca 0.05 -1.93 -0.08 0.00 -1.00 0.00 0.00 55.73 52.77 1rdx s ARG 140 Cb -0.08 -3.47 0.04 0.00 0.00 0.00 0.00 34.95 31.44 1rdx s ARG 140 CO -0.00 -1.04 1.03 0.15 0.00 0.00 0.00 175.30 175.43 1rdx s LYS 141 N 0.92 2.54 -0.46 5.12 1.02 -0.87 -4.90 119.74 123.10 1rdx s LYS 141 Ca 0.10 0.06 0.03 0.00 0.02 0.00 0.00 55.97 56.18 1rdx s LYS 141 Cb -0.22 -2.13 0.12 0.00 -0.52 0.00 0.00 37.83 35.09 1rdx s LYS 141 CO -0.05 -1.09 0.19 -0.80 -0.92 0.00 0.00 175.35 172.69 1rdx s ASN 142 N -4.42 4.57 -0.29 2.83 0.01 -1.26 -5.05 114.94 111.33 1rdx s ASN 142 Ca 0.58 -2.66 -0.15 0.00 -0.71 0.00 0.00 52.86 49.92 1rdx s ASN 142 Cb -0.11 -1.66 0.12 0.00 0.41 0.00 0.00 41.25 40.02 1rdx s ASN 142 CO 0.47 -0.31 0.84 -0.55 -1.51 0.00 0.00 177.10 176.04 1rdx s SER 143 N 0.28 -0.75 0.03 -1.22 0.15 -1.26 -4.96 113.70 105.97 1rdx s SER 143 Ca 0.14 1.15 0.22 0.00 0.70 0.00 0.00 55.95 58.17 1rdx s SER 143 Cb -0.23 1.46 -0.17 0.00 -1.71 0.00 0.00 66.02 65.37 1rdx s SER 143 CO -0.03 -0.18 0.77 0.41 1.20 0.00 0.00 173.24 175.41 1rdx n THR 144 N 4.29 0.14 -1.29 6.45 -1.04 -1.26 -4.98 114.28 116.59 1rdx n THR 144 Ca -0.17 -0.37 -0.32 0.00 -2.04 0.00 0.00 64.05 61.15 1rdx n THR 144 Cb 0.56 0.15 0.10 0.00 -1.82 0.00 0.00 70.33 69.32 1rdx n THR 144 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1rdx s ASP 145 N -4.27 4.30 -0.29 8.00 2.15 -1.26 -5.02 116.67 120.28 1rdx s ASP 145 Ca -0.02 2.00 -0.22 0.00 0.43 0.00 0.00 52.55 54.75 1rdx s ASP 145 Cb 0.14 -2.55 -0.01 0.00 -0.30 0.00 0.00 42.92 40.21 1rdx s ASP 145 CO 0.86 -2.18 0.72 -0.70 -0.17 0.00 0.00 175.17 173.70 1rdx s GLU 146 N -4.54 3.98 0.00 4.34 2.56 -1.26 -4.90 118.70 118.88 1rdx s GLU 146 Ca 0.65 0.52 0.00 0.00 0.00 0.00 0.00 54.97 56.14 1rdx s GLU 146 Cb -0.20 -3.71 0.00 0.00 2.00 0.00 0.00 34.13 32.22 1rdx s GLU 146 CO 0.52 -0.59 0.02 -2.30 -0.56 0.00 0.00 175.26 172.34 1rdx n PRO 147 N 6.02 0.00 -2.78 4.30 -0.02 -1.26 -4.95 135.00 136.31 1rdx n PRO 147 Ca 0.02 0.00 -0.27 0.00 -2.02 0.00 0.00 63.50 61.23 1rdx n PRO 147 Cb 0.48 -0.02 -0.00 0.00 -0.02 0.00 0.00 33.50 33.94 1rdx n PRO 147 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1rdx s SER 148 N 0.04 6.26 0.64 2.55 1.04 -1.26 -4.95 113.70 118.01 1rdx s SER 148 Ca 0.00 0.83 0.42 0.00 0.48 0.00 0.00 55.95 57.68 1rdx s SER 148 Cb 0.00 -2.20 2.20 0.00 0.10 0.00 0.00 66.02 66.12 1rdx s SER 148 CO 0.00 -0.53 2.28 -0.33 0.98 0.00 0.00 173.24 175.64 1rdx h GLU 149 N 0.32 0.00 0.00 4.02 5.08 -1.97 -0.39 114.58 121.64 1rdx h GLU 149 Ca -0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1rdx h GLU 149 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1rdx h GLU 149 CO 0.62 0.00 0.00 1.57 -1.00 0.00 0.00 179.01 180.20 1rdx h LYS 150 N 0.00 0.00 0.13 2.33 2.10 -1.96 -3.09 116.57 116.09 1rdx h LYS 150 Ca 0.00 0.00 -0.26 0.00 -2.00 0.00 0.00 60.65 58.39 1rdx h LYS 150 Cb 0.10 0.00 0.03 0.00 -0.90 0.00 0.00 32.23 31.46 1rdx h LYS 150 CO 0.00 0.00 -1.10 -0.44 -2.00 0.00 0.00 179.45 175.91 1rdx h ASP 151 N 0.00 0.74 -0.67 7.07 3.32 -1.44 -3.30 116.42 122.15 1rdx h ASP 151 Ca 0.00 -0.86 -0.07 0.00 0.02 0.00 0.00 57.03 56.12 1rdx h ASP 151 Cb 0.31 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.60 1rdx h ASP 151 CO 0.00 1.53 0.14 0.00 -1.72 0.00 0.00 179.24 179.19 1rdx h ALA 152 N 0.22 0.88 -0.05 3.45 0.00 -1.70 -3.41 119.26 118.66 1rdx h ALA 152 Ca -0.17 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.38 1rdx h ALA 152 Cb 1.82 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 19.32 1rdx h ALA 152 CO 0.21 0.62 1.04 1.28 0.00 0.00 0.00 179.25 182.39 1rdx n LEU 153 N -4.26 -0.93 -3.79 0.00 4.77 -1.22 -4.80 117.00 106.77 1rdx n LEU 153 Ca 0.04 -1.34 -0.13 0.00 -0.03 0.00 0.00 56.01 54.55 1rdx n LEU 153 Cb 0.27 -0.87 -0.11 0.00 -2.33 0.00 0.00 43.42 40.38 1rdx n LEU 153 CO 0.42 -2.00 -0.07 -1.10 -1.33 0.00 0.00 177.39 173.32 1rdx s GLN 154 N 6.56 0.41 0.89 3.23 -0.21 -1.26 -4.95 119.66 124.32 1rdx s GLN 154 Ca 0.61 0.14 -0.11 0.00 0.02 0.00 0.00 55.36 56.02 1rdx s GLN 154 Cb -0.27 0.19 0.18 0.00 1.00 0.00 0.00 33.01 34.11 1rdx s GLN 154 CO 0.20 -0.08 1.23 -1.25 -2.12 0.00 0.00 175.29 173.27 1rdx s PRO 155 N -0.39 0.95 0.31 2.91 0.04 -1.21 -4.88 135.00 132.74 1rdx s PRO 155 Ca -0.05 -0.62 0.00 0.00 0.04 0.00 0.00 61.00 60.37 1rdx s PRO 155 Cb -0.03 -1.99 0.53 0.00 0.04 0.00 0.00 34.50 33.05 1rdx s PRO 155 CO 0.01 -2.13 1.94 0.78 0.04 0.00 0.00 177.00 177.65 1rdx h GLY 156 N -1.31 1.20 -0.37 0.56 0.00 -1.71 -2.67 103.07 98.76 1rdx h GLY 156 Ca -0.42 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 46.51 1rdx h GLY 156 CO 0.39 0.34 0.00 -2.13 0.00 0.00 0.00 176.54 175.13 1rdx n ARG 157 N -4.46 0.14 -1.90 4.80 3.00 -1.22 -2.02 116.66 115.00 1rdx n ARG 157 Ca 0.11 0.00 0.02 0.00 -0.00 0.00 0.00 57.85 57.99 1rdx n ARG 157 Cb 0.13 -1.03 0.03 0.00 0.00 0.00 0.00 32.46 31.59 1rdx n ARG 157 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1rdx n ASN 158 N -0.15 1.06 0.00 6.15 3.02 -1.01 -5.11 115.26 119.22 1rdx n ASN 158 Ca 0.00 -2.01 0.00 0.00 -0.03 0.00 0.00 54.58 52.54 1rdx n ASN 158 Cb 0.01 -0.32 0.00 0.00 -0.61 0.00 0.00 39.78 38.87 1rdx n ASN 158 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1rdx n LEU 159 N 0.12 0.00 0.00 3.41 4.77 -0.86 -4.81 117.00 119.63 1rdx n LEU 159 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1rdx n LEU 159 Cb 1.03 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.12 1rdx n LEU 159 CO -0.01 0.00 -0.22 0.52 -1.33 0.00 0.00 177.39 176.34 1rdx n VAL 160 N 0.00 0.00 0.00 4.08 0.31 -1.26 -4.82 118.33 116.64 1rdx n VAL 160 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1rdx n VAL 160 Cb 0.00 0.01 0.00 0.00 -0.91 0.00 0.00 33.84 32.94 1rdx n VAL 160 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1rdx n ALA 161 N -0.82 0.00 -2.53 3.52 0.00 -1.25 -4.57 120.51 114.86 1rdx n ALA 161 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 1rdx n ALA 161 Cb 0.07 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.40 1rdx n ALA 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rdx s ALA 162 N -2.00 1.76 0.10 0.00 0.00 -1.14 -3.51 121.76 116.97 1rdx s ALA 162 Ca 0.00 -1.30 -0.22 0.00 0.00 0.00 0.00 51.96 50.45 1rdx s ALA 162 Cb 0.00 -0.19 0.06 0.00 0.00 0.00 0.00 23.12 22.98 1rdx s ALA 162 CO 0.00 0.27 0.54 0.20 0.00 0.00 0.00 175.76 176.77 1rdx s GLY 163 N -2.17 -0.48 0.12 0.00 0.00 -1.17 -0.64 107.32 102.98 1rdx s GLY 163 Ca 0.08 0.48 -0.14 0.00 0.00 0.00 0.00 44.72 45.15 1rdx s GLY 163 CO 0.05 0.17 0.66 1.58 0.00 0.00 0.00 173.10 175.56 1rdx n TYR 164 N 0.03 -1.10 -3.71 1.90 4.11 0.56 0.15 117.16 119.09 1rdx n TYR 164 Ca -0.17 -0.83 -0.07 0.00 -0.00 0.00 0.00 57.90 56.83 1rdx n TYR 164 Cb 0.62 0.40 0.02 0.00 -0.00 0.00 0.00 39.34 40.39 1rdx n TYR 164 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1rdx n ALA 165 N -1.56 -1.68 -3.30 -3.48 0.00 -0.12 -0.17 120.51 110.19 1rdx n ALA 165 Ca -0.09 -1.07 -0.07 0.00 0.00 0.00 0.00 53.44 52.21 1rdx n ALA 165 Cb 0.37 0.81 -0.06 0.00 0.00 0.00 0.00 19.45 20.58 1rdx n ALA 165 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1rdx s LEU 166 N 0.00 -0.82 -1.04 0.00 2.96 -1.25 -0.17 118.68 118.35 1rdx s LEU 166 Ca 0.15 0.05 -0.18 0.00 -0.22 0.00 0.00 54.13 53.94 1rdx s LEU 166 Cb -0.04 1.27 -0.08 0.00 0.50 0.00 0.00 46.19 47.84 1rdx s LEU 166 CO 0.09 -0.32 2.08 -1.22 -1.32 0.00 0.00 176.35 175.67 1rdx n TYR 167 N 5.37 2.39 0.00 5.38 4.01 -1.12 -3.89 117.16 129.31 1rdx n TYR 167 Ca -0.01 -2.26 0.00 0.00 -0.16 0.00 0.00 57.90 55.47 1rdx n TYR 167 Cb 0.50 -2.01 0.00 0.00 -0.31 0.00 0.00 39.34 37.52 1rdx n TYR 167 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1rdx n GLY 168 N 4.28 1.38 2.08 2.72 0.00 -1.26 -4.57 105.19 109.82 1rdx n GLY 168 Ca 0.51 -0.40 -0.04 0.00 0.00 0.00 0.00 46.02 46.09 1rdx n GLY 168 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1rdx n SER 169 N 0.00 2.64 0.00 1.61 7.64 -1.26 -4.34 113.62 119.90 1rdx n SER 169 Ca 0.00 -1.89 0.00 0.00 1.01 0.00 0.00 58.87 57.99 1rdx n SER 169 Cb 0.00 -0.66 0.00 0.00 -1.01 0.00 0.00 64.21 62.54 1rdx n SER 169 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1rdx n ALA 170 N 2.40 0.00 -1.78 -0.43 0.00 -1.26 -5.07 120.51 114.37 1rdx n ALA 170 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.21 1rdx n ALA 170 Cb 0.39 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.81 1rdx n ALA 170 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1rdx s THR 171 N 0.00 3.51 -0.19 0.00 2.01 -1.26 -4.75 115.64 114.96 1rdx s THR 171 Ca 0.00 1.16 -0.02 0.00 0.31 0.00 0.00 61.69 63.14 1rdx s THR 171 Cb 0.00 -3.60 0.06 0.00 0.01 0.00 0.00 72.50 68.97 1rdx s THR 171 CO 0.00 0.01 0.02 -0.32 -0.69 0.00 0.00 174.62 173.64 1rdx s MET 172 N -2.52 0.80 0.02 4.92 -2.45 -1.25 -1.43 119.30 117.39 1rdx s MET 172 Ca 0.59 -0.46 -0.30 0.00 -1.25 0.00 0.00 55.69 54.27 1rdx s MET 172 Cb -0.25 -2.09 -0.04 0.00 1.25 0.00 0.00 34.83 33.71 1rdx s MET 172 CO 0.30 -0.60 1.00 -1.17 1.05 0.00 0.00 175.02 175.60 1rdx s LEU 173 N 1.80 4.39 -0.08 4.11 2.96 0.22 -3.87 118.68 128.20 1rdx s LEU 173 Ca -0.01 1.72 0.03 0.00 -0.22 0.00 0.00 54.13 55.66 1rdx s LEU 173 Cb -0.17 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 42.95 1rdx s LEU 173 CO -0.08 -0.26 -0.20 -0.69 -1.32 0.00 0.00 176.35 173.81 1rdx s VAL 174 N 0.86 1.70 -0.08 1.68 1.01 0.77 -0.83 120.40 125.51 1rdx s VAL 174 Ca 0.52 -0.81 -0.06 0.00 0.00 0.00 0.00 61.98 61.63 1rdx s VAL 174 Cb -0.22 -1.49 0.03 0.00 0.00 0.00 0.00 36.38 34.69 1rdx s VAL 174 CO 0.28 0.48 0.20 -0.22 0.00 0.00 0.00 175.10 175.85 1rdx s LEU 175 N 0.44 1.01 -0.19 3.92 0.20 -1.25 -0.33 118.68 122.48 1rdx s LEU 175 Ca -0.17 0.41 -0.08 0.00 0.69 0.00 0.00 54.13 54.98 1rdx s LEU 175 Cb -0.17 0.65 -0.04 0.00 -0.43 0.00 0.00 46.19 46.20 1rdx s LEU 175 CO 0.07 -0.10 0.08 0.00 -0.29 0.00 0.00 176.35 176.11 1rdx s ALA 176 N 0.47 3.44 0.37 5.97 0.00 0.19 -4.15 121.76 128.05 1rdx s ALA 176 Ca -0.03 -0.77 0.04 0.00 0.00 0.00 0.00 51.96 51.20 1rdx s ALA 176 Cb -0.04 -1.99 -0.03 0.00 0.00 0.00 0.00 23.12 21.05 1rdx s ALA 176 CO -0.02 0.12 0.12 -1.64 0.00 0.00 0.00 175.76 174.33 1rdx s MET 177 N 0.48 1.81 0.59 0.00 -1.94 -1.09 -2.87 119.30 116.27 1rdx s MET 177 Ca 0.04 -2.07 0.32 0.00 -1.71 0.00 0.00 55.69 52.27 1rdx s MET 177 Cb -0.12 -0.55 1.24 0.00 2.01 0.00 0.00 34.83 37.40 1rdx s MET 177 CO 0.00 -0.42 1.52 -0.24 -0.01 0.00 0.00 175.02 175.87 1rdx h VAL 178 N 1.94 0.11 0.00 -6.03 3.04 -2.00 0.20 116.25 113.51 1rdx h VAL 178 Ca -0.36 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.33 1rdx h VAL 178 Cb 1.26 0.17 0.00 0.00 -2.01 0.00 0.00 31.29 30.71 1rdx h VAL 178 CO 0.58 0.00 -1.60 -0.46 -1.01 0.00 0.00 177.57 175.08 1rdx n ASN 179 N -3.54 0.37 0.00 3.17 6.94 -1.26 -5.11 115.26 115.83 1rdx n ASN 179 Ca 0.24 -0.31 0.00 0.00 -0.02 0.00 0.00 54.58 54.49 1rdx n ASN 179 Cb 1.42 1.57 0.00 0.00 -2.36 0.00 0.00 39.78 40.41 1rdx n ASN 179 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1rdx n GLY 180 N 1.34 0.95 3.56 4.83 0.00 0.70 -5.07 105.19 111.50 1rdx n GLY 180 Ca -0.01 -1.91 -0.40 0.00 0.00 0.00 0.00 46.02 43.70 1rdx n GLY 180 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rdx s VAL 181 N -2.56 5.21 0.00 1.61 1.01 -1.26 -2.67 120.40 121.75 1rdx s VAL 181 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.13 1rdx s VAL 181 Cb 0.00 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.66 1rdx s VAL 181 CO 0.00 0.04 0.00 0.59 0.00 0.00 0.00 175.10 175.73 1rdx n ASN 182 N 5.27 0.48 -2.88 3.32 5.03 -1.25 -1.10 115.26 124.12 1rdx n ASN 182 Ca -0.10 -0.10 0.03 0.00 0.87 0.00 0.00 54.58 55.27 1rdx n ASN 182 Cb 0.50 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.27 1rdx n ASN 182 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1rdx s PHE 184 N 2.29 3.29 0.20 0.00 0.40 -0.01 -3.66 117.98 120.49 1rdx s PHE 184 Ca 0.19 1.15 -0.07 0.00 -0.60 0.00 0.00 56.93 57.59 1rdx s PHE 184 Cb 0.02 -3.15 -0.06 0.00 0.51 0.00 0.00 43.02 40.33 1rdx s PHE 184 CO -0.18 -0.46 0.48 1.41 0.70 0.00 0.00 175.22 177.17 1rdx s MET 185 N 2.97 3.72 -0.34 0.44 1.75 0.29 0.70 119.30 128.83 1rdx s MET 185 Ca 0.37 0.12 -0.13 0.00 -1.25 0.00 0.00 55.69 54.79 1rdx s MET 185 Cb -0.15 -2.73 -0.02 0.00 2.84 0.00 0.00 34.83 34.78 1rdx s MET 185 CO 0.08 0.37 0.25 -1.17 -0.65 0.00 0.00 175.02 173.90 1rdx s LEU 186 N -2.78 4.53 -0.50 4.11 2.96 -0.52 0.18 118.68 126.66 1rdx s LEU 186 Ca 0.45 -0.42 -0.24 0.00 -0.22 0.00 0.00 54.13 53.70 1rdx s LEU 186 Cb -0.12 -2.15 0.03 0.00 0.50 0.00 0.00 46.19 44.46 1rdx s LEU 186 CO 0.23 -0.24 0.89 -0.62 -1.32 0.00 0.00 176.35 175.29 1rdx s ASP 187 N 1.72 6.40 0.33 3.68 2.15 0.23 -4.72 116.67 126.46 1rdx s ASP 187 Ca 0.06 -0.19 0.17 0.00 0.43 0.00 0.00 52.55 53.02 1rdx s ASP 187 Cb -0.17 -2.42 0.50 0.00 -0.30 0.00 0.00 42.92 40.52 1rdx s ASP 187 CO 0.11 -1.10 1.65 1.55 -0.17 0.00 0.00 175.17 177.21 1rdx h PRO 188 N 9.16 0.00 -1.20 4.34 0.13 -1.91 2.99 132.00 145.51 1rdx h PRO 188 Ca -0.25 0.00 0.34 0.00 -0.87 0.00 0.00 66.00 65.22 1rdx h PRO 188 Cb 1.08 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.13 1rdx h PRO 188 CO 1.04 0.45 0.83 0.00 -0.23 0.00 0.00 178.00 180.09 1rdx h ALA 189 N 1.55 2.83 0.00 -0.56 0.00 -1.99 -2.33 119.26 118.76 1rdx h ALA 189 Ca -0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1rdx h ALA 189 Cb 1.04 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1rdx h ALA 189 CO 0.06 -1.24 0.00 0.44 0.00 0.00 0.00 179.25 178.51 1rdx n ILE 190 N -4.38 0.00 -2.40 0.00 -5.35 -1.11 -5.06 119.36 101.06 1rdx n ILE 190 Ca 0.28 -0.09 -0.04 0.00 -0.27 0.00 0.00 62.75 62.63 1rdx n ILE 190 Cb 1.20 1.81 0.00 0.00 -1.74 0.00 0.00 39.64 40.92 1rdx n ILE 190 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1rdx n GLY 191 N -0.00 -1.05 2.79 3.28 0.00 0.87 -5.04 105.19 106.03 1rdx n GLY 191 Ca 0.00 0.65 -0.18 0.00 0.00 0.00 0.00 46.02 46.49 1rdx n GLY 191 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1rdx s GLU 192 N -2.25 0.11 -1.20 1.61 2.56 0.58 -4.86 118.70 115.23 1rdx s GLU 192 Ca 0.12 0.36 -0.17 0.00 0.00 0.00 0.00 54.97 55.28 1rdx s GLU 192 Cb -0.03 -0.81 -0.03 0.00 2.00 0.00 0.00 34.13 35.25 1rdx s GLU 192 CO 0.49 -0.49 2.07 1.19 -0.56 0.00 0.00 175.26 177.97 1rdx n PHE 193 N 5.32 3.05 -2.52 5.30 3.72 -1.25 0.74 117.46 131.82 1rdx n PHE 193 Ca -0.05 -2.50 -0.32 0.00 -0.05 0.00 0.00 57.45 54.52 1rdx n PHE 193 Cb 0.50 -2.29 -0.04 0.00 -0.94 0.00 0.00 39.48 36.71 1rdx n PHE 193 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1rdx s ILE 194 N 4.28 4.56 -1.00 4.37 1.01 0.48 -3.02 121.20 131.88 1rdx s ILE 194 Ca 0.52 1.15 -0.16 0.00 0.00 0.00 0.00 60.65 62.17 1rdx s ILE 194 Cb 0.13 -3.71 -0.09 0.00 0.01 0.00 0.00 42.46 38.80 1rdx s ILE 194 CO 0.01 -0.62 2.10 -0.11 0.00 0.00 0.00 174.94 176.32 1rdx n LEU 195 N -1.42 5.16 -3.49 2.97 7.94 -0.66 0.11 117.00 127.61 1rdx n LEU 195 Ca 0.06 -3.23 -0.34 0.00 -1.11 0.00 0.00 56.01 51.39 1rdx n LEU 195 Cb 0.54 -1.24 -0.03 0.00 0.53 0.00 0.00 43.42 43.22 1rdx n LEU 195 CO 0.46 0.34 0.64 1.33 -1.11 0.00 0.00 177.39 179.05 1rdx n VAL 196 N 5.20 4.08 0.00 1.96 0.24 -1.25 -4.50 118.33 124.05 1rdx n VAL 196 Ca 0.51 -5.66 0.00 0.00 -2.04 0.00 0.00 64.34 57.15 1rdx n VAL 196 Cb 0.32 -1.80 0.00 0.00 -1.47 0.00 0.00 33.84 30.89 1rdx n VAL 196 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1rdx n ASP 197 N 0.49 0.00 0.00 -1.34 -0.08 -1.24 -4.69 116.55 109.68 1rdx n ASP 197 Ca 0.33 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.61 1rdx n ASP 197 Cb 0.35 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.81 1rdx n ASP 197 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1rdx n ARG 198 N 0.00 0.00 -2.97 -0.67 1.74 -1.26 -2.66 116.66 110.84 1rdx n ARG 198 Ca 0.00 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 56.81 1rdx n ARG 198 Cb 0.00 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.43 1rdx n ARG 198 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1rdx s ASN 199 N -2.69 6.33 -0.19 0.55 3.84 -1.26 -3.61 114.94 117.92 1rdx s ASN 199 Ca 0.00 0.80 -0.07 0.00 0.21 0.00 0.00 52.86 53.80 1rdx s ASN 199 Cb 0.00 -2.18 0.08 0.00 -0.55 0.00 0.00 41.25 38.60 1rdx s ASN 199 CO 0.00 -0.42 0.40 -0.69 -2.79 0.00 0.00 177.10 173.60 1rdx s VAL 200 N -2.48 -0.54 -0.01 -5.21 1.01 -0.26 -4.94 120.40 107.97 1rdx s VAL 200 Ca 0.45 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.61 1rdx s VAL 200 Cb -0.10 -0.64 0.01 0.00 0.00 0.00 0.00 36.38 35.66 1rdx s VAL 200 CO 0.38 0.07 -0.00 -0.54 0.00 0.00 0.00 175.10 175.01 1rdx s LYS 201 N 2.42 0.17 0.46 2.72 -0.14 -1.26 -4.55 119.74 119.56 1rdx s LYS 201 Ca -0.03 0.03 -0.07 0.00 -1.36 0.00 0.00 55.97 54.55 1rdx s LYS 201 Cb -0.11 -0.28 0.10 0.00 -1.68 0.00 0.00 37.83 35.86 1rdx s LYS 201 CO -0.12 -0.06 0.63 0.44 -0.76 0.00 0.00 175.35 175.48 1rdx n ILE 202 N 3.62 0.00 -2.81 2.17 -5.35 -1.26 -5.00 119.36 110.74 1rdx n ILE 202 Ca -0.20 -0.55 -0.42 0.00 -0.27 0.00 0.00 62.75 61.31 1rdx n ILE 202 Cb 0.55 -1.63 -0.03 0.00 -1.74 0.00 0.00 39.64 36.78 1rdx n ILE 202 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 1rdx s LYS 203 N -4.31 4.36 0.16 6.28 2.20 0.19 -4.99 119.74 123.62 1rdx s LYS 203 Ca 0.37 1.18 -0.12 0.00 -0.36 0.00 0.00 55.97 57.03 1rdx s LYS 203 Cb -0.01 -3.56 0.17 0.00 -1.51 0.00 0.00 37.83 32.92 1rdx s LYS 203 CO 0.26 -0.31 1.07 1.63 -0.36 0.00 0.00 175.35 177.64 1rdx n LYS 204 N 5.09 -0.16 -3.11 4.03 5.02 -1.26 -2.60 118.16 125.17 1rdx n LYS 204 Ca 0.06 1.06 -0.23 0.00 -2.02 0.00 0.00 58.31 57.18 1rdx n LYS 204 Cb 0.49 -1.58 -0.04 0.00 -0.02 0.00 0.00 35.03 33.88 1rdx n LYS 204 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1rdx n LYS 205 N -5.02 2.00 -1.68 1.97 2.85 -1.26 -2.95 118.16 114.07 1rdx n LYS 205 Ca 0.07 -4.08 -0.55 0.00 -1.05 0.00 0.00 58.31 52.70 1rdx n LYS 205 Cb 0.28 -1.93 -0.07 0.00 -0.65 0.00 0.00 35.03 32.67 1rdx n LYS 205 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1rdx n GLY 206 N 0.23 0.99 1.71 2.58 0.00 -1.07 -4.87 105.19 104.75 1rdx n GLY 206 Ca 0.27 0.92 0.00 0.00 0.00 0.00 0.00 46.02 47.21 1rdx n GLY 206 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1rdx n SER 207 N 6.10 2.91 -3.48 1.61 3.41 -1.26 -4.46 113.62 118.45 1rdx n SER 207 Ca 0.27 -1.76 -0.22 0.00 -0.26 0.00 0.00 58.87 56.90 1rdx n SER 207 Cb 0.18 -0.61 -0.13 0.00 -0.26 0.00 0.00 64.21 63.39 1rdx n SER 207 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1rdx s ILE 208 N 0.89 -0.26 1.01 -1.33 1.01 -1.25 -1.49 121.20 119.78 1rdx s ILE 208 Ca 0.00 -0.45 -0.17 0.00 0.00 0.00 0.00 60.65 60.03 1rdx s ILE 208 Cb 0.00 -0.88 0.25 0.00 0.01 0.00 0.00 42.46 41.84 1rdx s ILE 208 CO 0.00 -0.47 0.92 0.00 0.00 0.00 0.00 174.94 175.39 1rdx n TYR 209 N 5.29 -3.76 -3.65 3.97 4.11 -1.20 0.32 117.16 122.25 1rdx n TYR 209 Ca -0.04 -0.83 -0.08 0.00 -0.00 0.00 0.00 57.90 56.95 1rdx n TYR 209 Cb 0.46 -0.94 -0.08 0.00 -0.00 0.00 0.00 39.34 38.79 1rdx n TYR 209 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 1rdx s SER 210 N -4.01 -0.87 0.00 9.48 0.15 0.72 -4.03 113.70 115.14 1rdx s SER 210 Ca 0.59 1.40 0.00 0.00 0.70 0.00 0.00 55.95 58.64 1rdx s SER 210 Cb -0.06 1.28 0.00 0.00 -1.71 0.00 0.00 66.02 65.53 1rdx s SER 210 CO 0.45 -0.23 0.00 0.00 1.20 0.00 0.00 173.24 174.66 1rdx n ILE 211 N 4.31 0.00 -2.90 6.45 3.06 -1.26 -3.39 119.36 125.63 1rdx n ILE 211 Ca -0.21 0.00 -0.44 0.00 -2.50 0.00 0.00 62.75 59.61 1rdx n ILE 211 Cb 0.58 0.00 -0.03 0.00 0.54 0.00 0.00 39.64 40.73 1rdx n ILE 211 CO 0.00 0.00 0.00 0.21 -2.50 0.00 0.00 176.55 174.26 1rdx s ASN 212 N 0.00 6.44 0.00 9.51 2.47 -1.26 -4.88 114.94 127.23 1rdx s ASN 212 Ca 0.00 -1.63 0.00 0.00 0.42 0.00 0.00 52.86 51.65 1rdx s ASN 212 Cb 0.00 -2.41 0.00 0.00 -1.45 0.00 0.00 41.25 37.39 1rdx s ASN 212 CO 0.00 -1.21 0.73 1.21 -3.72 0.00 0.00 177.10 174.11 1rdx n GLU 213 N 7.01 0.00 0.26 0.43 2.13 -1.26 -0.31 120.64 128.90 1rdx n GLU 213 Ca 0.13 0.27 0.14 0.00 0.66 0.00 0.00 57.16 58.35 1rdx n GLU 213 Cb 0.48 -1.56 0.69 0.00 0.27 0.00 0.00 31.44 31.32 1rdx n GLU 213 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 1rdx h GLY 214 N 0.00 0.00 -1.18 8.31 0.00 -2.07 -2.00 103.07 106.13 1rdx h GLY 214 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1rdx h GLY 214 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 176.54 179.52 1rdx n TYR 215 N -3.43 0.43 -0.12 5.60 9.36 0.58 -4.72 117.16 124.87 1rdx n TYR 215 Ca -0.01 -0.19 -0.01 0.00 3.32 0.00 0.00 57.90 61.02 1rdx n TYR 215 Cb 0.29 -0.07 0.01 0.00 -0.63 0.00 0.00 39.34 38.94 1rdx n TYR 215 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1rdx n ALA 216 N 0.22 -0.06 1.53 2.98 0.00 -0.75 0.13 120.51 124.55 1rdx n ALA 216 Ca 0.09 0.30 0.15 0.00 0.00 0.00 0.00 53.44 53.98 1rdx n ALA 216 Cb 0.31 -0.13 0.79 0.00 0.00 0.00 0.00 19.45 20.42 1rdx n ALA 216 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1rdx n LYS 217 N -4.45 0.54 0.07 0.00 5.02 -1.26 -4.07 118.16 114.02 1rdx n LYS 217 Ca 0.03 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.40 1rdx n LYS 217 Cb 0.12 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.59 1rdx n LYS 217 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1rdx n GLU 218 N -1.22 0.62 -3.13 1.97 4.71 0.12 -4.99 120.64 118.71 1rdx n GLU 218 Ca 0.16 0.12 -0.28 0.00 -0.01 0.00 0.00 57.16 57.16 1rdx n GLU 218 Cb 0.21 -1.79 -0.02 0.00 -1.01 0.00 0.00 31.44 28.82 1rdx n GLU 218 CO 0.00 0.00 0.00 -0.06 0.09 0.00 0.00 177.13 177.16 1rdx s PHE 219 N -3.24 3.50 0.62 -0.32 0.08 -1.25 -3.66 117.98 113.70 1rdx s PHE 219 Ca -0.02 0.67 -0.17 0.00 0.12 0.00 0.00 56.93 57.54 1rdx s PHE 219 Cb 0.10 -2.15 -0.02 0.00 -0.57 0.00 0.00 43.02 40.38 1rdx s PHE 219 CO 0.81 0.03 1.12 0.16 -0.10 0.00 0.00 175.22 177.24 1rdx s ASP 220 N -3.54 5.28 0.16 1.36 1.47 -1.26 -4.89 116.67 115.25 1rdx s ASP 220 Ca 0.45 2.08 0.14 0.00 1.18 0.00 0.00 52.55 56.40 1rdx s ASP 220 Cb -0.10 -2.56 0.49 0.00 -0.34 0.00 0.00 42.92 40.40 1rdx s ASP 220 CO 0.34 -1.51 0.44 -2.65 0.68 0.00 0.00 175.17 172.48 1rdx n PRO 221 N -2.02 -0.00 0.00 2.11 -0.02 -1.26 -3.17 135.00 130.63 1rdx n PRO 221 Ca 0.11 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 1rdx n PRO 221 Cb 0.51 -0.71 0.00 0.00 -0.02 0.00 0.00 33.50 33.28 1rdx n PRO 221 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1rdx n ALA 222 N -2.29 0.00 -0.26 3.55 0.00 -1.26 -2.17 120.51 118.08 1rdx n ALA 222 Ca 0.13 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.70 1rdx n ALA 222 Cb 0.56 0.00 0.25 0.00 0.00 0.00 0.00 19.45 20.27 1rdx n ALA 222 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1rdx n ILE 223 N -0.37 -0.32 0.33 0.00 2.08 -1.19 -1.06 119.36 118.83 1rdx n ILE 223 Ca 0.00 1.65 -0.13 0.00 0.56 0.00 0.00 62.75 64.83 1rdx n ILE 223 Cb 0.00 -2.44 -0.06 0.00 -0.75 0.00 0.00 39.64 36.38 1rdx n ILE 223 CO 0.00 0.00 0.00 0.71 0.56 0.00 0.00 176.55 177.82 1rdx h THR 224 N 0.00 0.00 0.00 1.39 1.35 -1.71 1.70 112.91 115.64 1rdx h THR 224 Ca 0.48 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 66.20 1rdx h THR 224 Cb 1.05 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.47 1rdx h THR 224 CO -0.70 0.00 0.00 1.21 -0.25 0.00 0.00 175.52 175.78 1rdx n GLU 225 N -4.71 0.88 0.00 4.72 2.13 -0.22 -1.28 120.64 122.16 1rdx n GLU 225 Ca -0.11 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.71 1rdx n GLU 225 Cb 0.34 -1.06 0.00 0.00 0.27 0.00 0.00 31.44 30.99 1rdx n GLU 225 CO 0.00 0.00 0.00 0.98 -0.41 0.00 0.00 177.13 177.70 1rdx n TYR 226 N 1.34 0.00 0.38 4.31 4.19 -0.50 -4.90 117.16 121.98 1rdx n TYR 226 Ca 0.00 0.00 -0.15 0.00 3.31 0.00 0.00 57.90 61.06 1rdx n TYR 226 Cb 0.44 0.00 -0.07 0.00 0.49 0.00 0.00 39.34 40.20 1rdx n TYR 226 CO 0.00 0.00 0.00 0.82 0.91 0.00 0.00 176.86 178.59 1rdx h ILE 227 N 0.00 0.00 0.00 2.97 2.04 0.39 -3.00 117.51 119.92 1rdx h ILE 227 Ca 0.00 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.79 1rdx h ILE 227 Cb 0.00 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.08 1rdx h ILE 227 CO 0.00 0.00 0.10 1.56 0.00 0.00 0.00 178.15 179.81 1rdx h GLN 228 N -1.03 0.00 -0.87 2.37 1.08 -1.85 0.60 115.11 115.40 1rdx h GLN 228 Ca -0.10 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.08 1rdx h GLN 228 Cb 0.74 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.13 1rdx h GLN 228 CO 0.16 0.00 0.46 -0.09 -0.95 0.00 0.00 178.83 178.41 1rdx h ARG 229 N 0.00 1.23 0.10 1.46 9.65 -1.77 -1.44 114.38 123.60 1rdx h ARG 229 Ca 0.00 -0.15 -0.32 0.00 -1.10 0.00 0.00 59.98 58.40 1rdx h ARG 229 Cb 0.20 -0.23 -0.02 0.00 -1.39 0.00 0.00 29.97 28.53 1rdx h ARG 229 CO 0.00 0.91 -1.72 0.87 2.80 0.00 0.00 179.97 182.83 1rdx h LYS 230 N 1.23 0.20 -0.50 0.20 1.79 -0.98 -2.97 116.57 115.53 1rdx h LYS 230 Ca 0.31 -0.35 0.08 0.00 -2.18 0.00 0.00 60.65 58.51 1rdx h LYS 230 Cb 0.05 0.13 -0.10 0.00 -1.58 0.00 0.00 32.23 30.73 1rdx h LYS 230 CO -0.05 1.01 -0.44 0.87 -1.08 0.00 0.00 179.45 179.77 1rdx h LYS 231 N 0.06 -0.26 -3.48 3.15 1.79 -0.93 -3.01 116.57 113.88 1rdx h LYS 231 Ca -0.31 0.02 -0.59 0.00 -2.18 0.00 0.00 60.65 57.58 1rdx h LYS 231 Cb 2.02 0.06 -0.40 0.00 -1.58 0.00 0.00 32.23 32.33 1rdx h LYS 231 CO 0.12 -0.17 -0.75 -0.59 -1.08 0.00 0.00 179.45 176.97 1rdx s PHE 232 N -5.84 1.87 -0.02 -1.35 -0.71 -0.57 -4.42 117.98 106.94 1rdx s PHE 232 Ca -0.14 -1.96 -0.36 0.00 -1.04 0.00 0.00 56.93 53.42 1rdx s PHE 232 Cb 0.12 -1.81 -0.15 0.00 -1.21 0.00 0.00 43.02 39.98 1rdx s PHE 232 CO 0.66 -0.86 1.61 -0.35 -1.34 0.00 0.00 175.22 174.94 1rdx n PRO 233 N 4.51 1.62 -0.15 1.99 -0.04 -1.12 -4.59 135.00 137.22 1rdx n PRO 233 Ca 0.01 0.59 0.27 0.00 -0.04 0.00 0.00 63.50 64.33 1rdx n PRO 233 Cb 0.40 -2.32 0.54 0.00 -0.04 0.00 0.00 33.50 32.09 1rdx n PRO 233 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 1rdx h PRO 234 N 6.51 0.00 -0.58 0.54 0.11 -1.88 0.75 132.00 137.46 1rdx h PRO 234 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1rdx h PRO 234 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1rdx h PRO 234 CO 0.88 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.27 1rdx n ASP 235 N -3.40 0.58 0.00 -2.05 5.68 -1.26 -4.79 116.55 111.31 1rdx n ASP 235 Ca 0.20 -1.42 0.00 0.00 -0.50 0.00 0.00 54.79 53.07 1rdx n ASP 235 Cb 1.30 -0.29 0.00 0.00 -1.14 0.00 0.00 41.12 40.99 1rdx n ASP 235 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1rdx n ASN 236 N 0.03 0.00 -1.84 -1.12 5.03 0.26 -4.85 115.26 112.77 1rdx n ASN 236 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 1rdx n ASN 236 Cb 0.14 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.90 1rdx n ASN 236 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 1rdx n SER 237 N 0.37 0.00 -4.39 6.41 3.41 -1.26 -4.74 113.62 113.43 1rdx n SER 237 Ca 0.00 0.00 -0.52 0.00 -0.26 0.00 0.00 58.87 58.09 1rdx n SER 237 Cb 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 63.86 1rdx n SER 237 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rdx n ALA 238 N -3.00 0.72 -2.04 7.33 0.00 -1.26 -4.43 120.51 117.82 1rdx n ALA 238 Ca 0.00 -0.04 -0.35 0.00 0.00 0.00 0.00 53.44 53.05 1rdx n ALA 238 Cb 0.00 -2.40 -0.06 0.00 0.00 0.00 0.00 19.45 16.99 1rdx n ALA 238 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1rdx s PRO 239 N 6.50 4.21 0.17 0.00 0.04 -1.26 -4.57 135.00 140.09 1rdx s PRO 239 Ca 1.15 0.89 -0.30 0.00 0.04 0.00 0.00 61.00 62.77 1rdx s PRO 239 Cb -1.07 -2.65 -0.08 0.00 0.04 0.00 0.00 34.50 30.74 1rdx s PRO 239 CO 0.53 0.26 1.31 0.71 0.04 0.00 0.00 177.00 179.85 1rdx s TYR 240 N -1.76 3.27 0.58 0.56 1.51 -1.14 -4.96 117.35 115.42 1rdx s TYR 240 Ca 0.50 1.19 -0.02 0.00 -1.01 0.00 0.00 57.07 57.72 1rdx s TYR 240 Cb -0.14 -3.60 0.12 0.00 -0.11 0.00 0.00 41.96 38.23 1rdx s TYR 240 CO 0.19 -1.90 0.79 0.41 -1.11 0.00 0.00 175.55 173.93 1rdx n GLY 241 N 2.61 0.32 3.28 0.71 0.00 -0.55 -4.80 105.19 106.75 1rdx n GLY 241 Ca 0.07 -1.96 -0.09 0.00 0.00 0.00 0.00 46.02 44.04 1rdx n GLY 241 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rdx s ALA 242 N -3.23 -1.12 -0.27 4.61 0.00 -1.26 -3.23 121.76 117.25 1rdx s ALA 242 Ca 0.51 1.54 0.11 0.00 0.00 0.00 0.00 51.96 54.12 1rdx s ALA 242 Cb -0.03 -1.14 0.46 0.00 0.00 0.00 0.00 23.12 22.42 1rdx s ALA 242 CO 0.34 -0.51 1.18 0.00 0.00 0.00 0.00 175.76 176.77 1rdx n ALA 243 N 4.82 4.37 -1.54 0.00 0.00 -1.26 -5.02 120.51 121.88 1rdx n ALA 243 Ca -0.16 -3.51 -0.26 0.00 0.00 0.00 0.00 53.44 49.50 1rdx n ALA 243 Cb 0.52 -0.43 -0.08 0.00 0.00 0.00 0.00 19.45 19.46 1rdx n ALA 243 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1rdx n TYR 244 N -0.70 1.09 -0.31 0.00 9.36 -1.26 -4.78 117.16 120.56 1rdx n TYR 244 Ca 0.34 0.08 0.18 0.00 3.32 0.00 0.00 57.90 61.82 1rdx n TYR 244 Cb 0.91 -2.38 0.35 0.00 -0.63 0.00 0.00 39.34 37.59 1rdx n TYR 244 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 1rdx n VAL 245 N 8.00 -0.38 0.00 2.97 0.31 -1.26 -4.82 118.33 123.16 1rdx n VAL 245 Ca 0.47 1.95 0.00 0.00 -0.01 0.00 0.00 64.34 66.75 1rdx n VAL 245 Cb 0.40 -2.94 0.00 0.00 -0.91 0.00 0.00 33.84 30.40 1rdx n VAL 245 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1rdx n GLY 246 N -1.39 1.79 3.51 2.92 0.00 -1.26 -5.04 105.19 105.72 1rdx n GLY 246 Ca 0.25 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.94 1rdx n GLY 246 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1rdx s SER 247 N -0.33 4.81 0.25 1.61 0.15 -1.26 -5.04 113.70 113.89 1rdx s SER 247 Ca 0.00 -0.11 -0.08 0.00 0.70 0.00 0.00 55.95 56.46 1rdx s SER 247 Cb 0.00 -1.73 0.42 0.00 -1.71 0.00 0.00 66.02 63.00 1rdx s SER 247 CO 0.00 0.19 1.60 -0.03 1.20 0.00 0.00 173.24 176.20 1rdx h MET 248 N 6.53 0.03 -0.46 5.44 4.05 -1.97 -2.74 114.93 125.81 1rdx h MET 248 Ca -0.33 -0.00 0.05 0.00 -0.28 0.00 0.00 59.70 59.14 1rdx h MET 248 Cb 1.19 -0.01 -0.08 0.00 -0.80 0.00 0.00 31.60 31.90 1rdx h MET 248 CO 0.62 0.02 -0.50 0.28 0.23 0.00 0.00 176.91 177.56 1rdx h VAL 249 N 0.03 0.00 0.00 -5.77 2.07 -1.93 0.13 116.25 110.78 1rdx h VAL 249 Ca 0.42 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.94 1rdx h VAL 249 Cb 0.71 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 1rdx h VAL 249 CO -0.81 0.00 0.00 0.00 0.02 0.00 0.00 177.57 176.78 1rdx h ALA 250 N -0.10 1.00 0.00 1.67 0.00 -1.86 -2.43 119.26 117.54 1rdx h ALA 250 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1rdx h ALA 250 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1rdx h ALA 250 CO -0.58 0.00 0.01 -0.44 0.00 0.00 0.00 179.25 178.23 1rdx h ASP 251 N 0.00 0.00 0.00 0.00 3.32 -0.43 0.45 116.42 119.76 1rdx h ASP 251 Ca 0.00 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.87 1rdx h ASP 251 Cb 0.55 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.06 1rdx h ASP 251 CO 0.00 0.00 -1.85 0.52 -1.72 0.00 0.00 179.24 176.19 1rdx n VAL 252 N -2.56 0.67 0.00 -1.35 0.31 -0.93 -4.70 118.33 109.76 1rdx n VAL 252 Ca -0.02 -0.51 0.00 0.00 -0.01 0.00 0.00 64.34 63.80 1rdx n VAL 252 Cb 0.05 -0.41 0.00 0.00 -0.91 0.00 0.00 33.84 32.57 1rdx n VAL 252 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 176.83 177.08 1rdx n HIS 253 N -2.36 0.00 -0.08 3.52 -0.00 0.16 -2.14 115.22 114.31 1rdx n HIS 253 Ca -0.17 0.00 -0.00 0.00 -0.00 0.00 0.00 57.72 57.55 1rdx n HIS 253 Cb 0.78 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.78 1rdx n HIS 253 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.34 174.21 1rdx n ARG 254 N 0.00 -0.05 -0.15 1.57 0.00 -1.12 0.18 116.66 117.08 1rdx n ARG 254 Ca 0.00 0.31 -0.10 0.00 -0.00 0.00 0.00 57.85 58.07 1rdx n ARG 254 Cb 0.00 -0.47 -0.05 0.00 0.00 0.00 0.00 32.46 31.95 1rdx n ARG 254 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.63 178.78 1rdx h THR 255 N 0.00 0.10 -0.18 5.15 2.02 -1.76 -1.77 112.91 116.47 1rdx h THR 255 Ca 0.07 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.28 1rdx h THR 255 Cb 0.12 0.10 -0.06 0.00 -1.74 0.00 0.00 68.15 66.56 1rdx h THR 255 CO -0.20 0.00 -0.51 0.25 0.37 0.00 0.00 175.52 175.43 1rdx h LEU 256 N -0.30 -1.65 0.00 2.58 5.85 0.24 0.66 115.31 122.69 1rdx h LEU 256 Ca 0.14 0.20 0.00 0.00 0.84 0.00 0.00 57.88 59.06 1rdx h LEU 256 Cb 0.58 0.65 0.00 0.00 0.37 0.00 0.00 40.66 42.26 1rdx h LEU 256 CO -0.61 -0.44 0.00 0.52 -0.34 0.00 0.00 178.44 177.57 1rdx n VAL 257 N -5.23 0.00 0.00 1.05 0.31 -0.71 -4.24 118.33 109.51 1rdx n VAL 257 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 1rdx n VAL 257 Cb 0.35 -0.79 0.00 0.00 -0.91 0.00 0.00 33.84 32.48 1rdx n VAL 257 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1rdx n TYR 258 N -0.81 0.00 0.00 3.52 4.02 0.18 -4.97 117.16 119.09 1rdx n TYR 258 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.90 1rdx n TYR 258 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 1rdx n TYR 258 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1rdx n GLY 259 N 0.95 1.40 3.33 2.72 0.00 0.18 -0.64 105.19 113.12 1rdx n GLY 259 Ca 0.00 0.47 -0.12 0.00 0.00 0.00 0.00 46.02 46.38 1rdx n GLY 259 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rdx n GLY 260 N 0.00 1.69 2.95 -0.02 0.00 -1.25 -3.94 105.19 104.62 1rdx n GLY 260 Ca 0.00 -1.45 -0.30 0.00 0.00 0.00 0.00 46.02 44.27 1rdx n GLY 260 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1rdx s ILE 261 N -2.53 2.89 0.29 -0.61 1.10 0.15 -3.52 121.20 118.97 1rdx s ILE 261 Ca 0.22 -3.69 -0.15 0.00 -0.51 0.00 0.00 60.65 56.52 1rdx s ILE 261 Cb -0.02 -2.94 -0.09 0.00 0.15 0.00 0.00 42.46 39.56 1rdx s ILE 261 CO 0.16 -0.90 0.71 0.12 -2.11 0.00 0.00 174.94 172.92 1rdx s PHE 262 N -0.78 3.43 0.05 3.50 5.36 0.58 0.26 117.98 130.37 1rdx s PHE 262 Ca 0.21 1.21 -0.27 0.00 -0.96 0.00 0.00 56.93 57.11 1rdx s PHE 262 Cb -0.16 -2.52 0.09 0.00 -0.34 0.00 0.00 43.02 40.09 1rdx s PHE 262 CO -0.07 0.16 1.20 0.00 -1.46 0.00 0.00 175.22 175.05 1rdx s MET 263 N -2.78 0.68 -0.28 10.12 0.23 -1.22 0.13 119.30 126.18 1rdx s MET 263 Ca 0.51 -0.42 0.02 0.00 -1.03 0.00 0.00 55.69 54.77 1rdx s MET 263 Cb -0.11 0.20 0.17 0.00 -1.53 0.00 0.00 34.83 33.56 1rdx s MET 263 CO 0.18 -0.32 0.50 -0.47 -2.03 0.00 0.00 175.02 172.89 1rdx s TYR 264 N -2.21 -1.37 0.34 3.16 5.04 0.77 -4.83 117.35 118.25 1rdx s TYR 264 Ca 0.23 0.89 -0.10 0.00 -2.44 0.00 0.00 57.07 55.66 1rdx s TYR 264 Cb 0.00 0.15 -0.07 0.00 0.35 0.00 0.00 41.96 42.40 1rdx s TYR 264 CO 0.00 -0.96 0.69 -2.14 -1.34 0.00 0.00 175.55 171.80 1rdx s PRO 265 N 2.69 3.80 -0.43 4.97 0.02 -1.26 -3.60 135.00 141.19 1rdx s PRO 265 Ca 0.12 0.39 -0.28 0.00 0.02 0.00 0.00 61.00 61.25 1rdx s PRO 265 Cb -0.12 -2.49 0.00 0.00 0.02 0.00 0.00 34.50 31.91 1rdx s PRO 265 CO -0.25 0.10 1.53 0.00 -0.33 0.00 0.00 177.00 178.05 1rdx s ALA 266 N -2.16 2.91 0.00 -1.55 0.00 -1.26 -4.80 121.76 114.89 1rdx s ALA 266 Ca 0.50 -0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.29 1rdx s ALA 266 Cb -0.10 -4.01 0.00 0.00 0.00 0.00 0.00 23.12 19.01 1rdx s ALA 266 CO 0.27 -2.63 0.00 0.27 0.00 0.00 0.00 175.76 173.66 1rdx n ASN 267 N 9.55 0.00 0.00 0.00 0.23 -1.04 -4.24 115.26 119.75 1rdx n ASN 267 Ca 0.18 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.23 1rdx n ASN 267 Cb 0.48 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.18 1rdx n ASN 267 CO 0.00 0.00 0.00 1.17 -0.93 0.00 0.00 177.26 177.50 1rdx n LYS 268 N 0.00 0.00 0.00 -3.83 4.81 -1.26 -3.52 118.16 114.36 1rdx n LYS 268 Ca 0.00 0.28 0.05 0.00 -0.87 0.00 0.00 58.31 57.78 1rdx n LYS 268 Cb 0.00 -1.10 0.30 0.00 0.02 0.00 0.00 35.03 34.25 1rdx n LYS 268 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1rdx n LYS 269 N -1.35 0.25 -3.19 1.64 4.81 -1.26 -3.89 118.16 115.18 1rdx n LYS 269 Ca 0.00 0.09 -0.24 0.00 -0.87 0.00 0.00 58.31 57.29 1rdx n LYS 269 Cb 0.00 -1.50 -0.06 0.00 0.02 0.00 0.00 35.03 33.49 1rdx n LYS 269 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1rdx n SER 270 N -1.14 2.50 -0.54 3.14 7.64 -1.23 -4.89 113.62 119.09 1rdx n SER 270 Ca 0.07 -3.24 0.00 0.00 1.01 0.00 0.00 58.87 56.70 1rdx n SER 270 Cb 0.06 -0.62 0.00 0.00 -1.01 0.00 0.00 64.21 62.64 1rdx n SER 270 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1rdx n PRO 271 N 0.55 0.73 -0.93 1.43 -0.02 -1.24 -1.67 135.00 133.85 1rdx n PRO 271 Ca 0.27 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.69 1rdx n PRO 271 Cb 0.49 -1.35 -0.06 0.00 -0.02 0.00 0.00 33.50 32.56 1rdx n PRO 271 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1rdx n LYS 272 N 0.18 0.00 0.00 -0.52 4.76 -1.26 -5.05 118.16 116.27 1rdx n LYS 272 Ca 0.00 -0.85 0.00 0.00 -2.87 0.00 0.00 58.31 54.59 1rdx n LYS 272 Cb 0.20 0.49 0.00 0.00 -1.84 0.00 0.00 35.03 33.87 1rdx n LYS 272 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1rdx n GLY 273 N 0.00 1.10 0.00 0.72 0.00 -0.67 -3.75 105.19 102.59 1rdx n GLY 273 Ca -0.24 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.08 1rdx n GLY 273 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1rdx n LYS 274 N 5.01 0.00 -3.09 1.61 2.85 -1.26 -4.56 118.16 118.71 1rdx n LYS 274 Ca 0.00 0.00 -0.44 0.00 -1.05 0.00 0.00 58.31 56.82 1rdx n LYS 274 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1rdx n LYS 274 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1rdx n LEU 275 N 0.00 5.56 0.00 -5.58 4.77 -1.19 -4.61 117.00 115.95 1rdx n LEU 275 Ca 0.00 -4.80 0.00 0.00 -0.03 0.00 0.00 56.01 51.18 1rdx n LEU 275 Cb 0.00 -1.52 0.00 0.00 -2.33 0.00 0.00 43.42 39.57 1rdx n LEU 275 CO 0.00 1.14 0.00 0.54 -1.33 0.00 0.00 177.39 177.74 1rdx n ARG 276 N 3.79 0.00 0.00 3.23 3.00 -1.25 -3.57 116.66 121.86 1rdx n ARG 276 Ca 0.30 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 58.14 1rdx n ARG 276 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.86 1rdx n ARG 276 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 1rdx n LEU 277 N 0.00 0.00 0.03 0.55 7.94 -0.75 0.09 117.00 124.85 1rdx n LEU 277 Ca 0.00 0.87 0.18 0.00 -1.11 0.00 0.00 56.01 55.96 1rdx n LEU 277 Cb 0.00 -0.37 0.39 0.00 0.53 0.00 0.00 43.42 43.97 1rdx n LEU 277 CO 0.00 -0.37 1.17 -0.07 -1.11 0.00 0.00 177.39 177.00 1rdx h LEU 278 N 0.00 0.00 0.00 -1.96 3.38 -1.86 -0.72 115.31 114.15 1rdx h LEU 278 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1rdx h LEU 278 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1rdx h LEU 278 CO 0.00 0.00 -0.30 0.00 0.09 0.00 0.00 178.44 178.23 1rdx n TYR 279 N -3.07 0.00 -0.02 1.13 4.11 -1.20 -4.52 117.16 113.59 1rdx n TYR 279 Ca 0.12 0.00 -0.06 0.00 -0.00 0.00 0.00 57.90 57.97 1rdx n TYR 279 Cb 1.16 0.00 -0.02 0.00 -0.00 0.00 0.00 39.34 40.48 1rdx n TYR 279 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.86 177.25 1rdx n GLU 280 N -0.82 0.18 0.38 -3.48 4.71 0.11 -4.46 120.64 117.26 1rdx n GLU 280 Ca 0.00 0.07 -0.15 0.00 -0.01 0.00 0.00 57.16 57.08 1rdx n GLU 280 Cb 0.00 -0.80 -0.07 0.00 -1.01 0.00 0.00 31.44 29.56 1rdx n GLU 280 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1rdx h ASN 282 N -0.98 0.00 0.00 0.00 -0.26 -1.42 -2.16 115.58 110.75 1rdx h ASN 282 Ca -0.10 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.64 1rdx h ASN 282 Cb 0.74 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.00 1rdx h ASN 282 CO 0.16 0.22 0.00 -2.65 -1.06 0.00 0.00 177.43 174.10 1rdx n PRO 283 N -3.99 0.00 -0.31 0.81 -0.02 -1.24 -3.52 135.00 126.73 1rdx n PRO 283 Ca -0.02 0.00 0.13 0.00 -2.02 0.00 0.00 63.50 61.60 1rdx n PRO 283 Cb 0.29 -0.16 0.31 0.00 -0.02 0.00 0.00 33.50 33.93 1rdx n PRO 283 CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 1rdx h MET 284 N 0.00 0.44 -0.01 -0.52 1.85 -1.74 0.52 114.93 115.47 1rdx h MET 284 Ca 0.00 -0.03 -0.16 0.00 -0.61 0.00 0.00 59.70 58.91 1rdx h MET 284 Cb 0.00 -0.10 -0.02 0.00 0.43 0.00 0.00 31.60 31.91 1rdx h MET 284 CO 0.00 0.29 -0.72 0.00 -0.40 0.00 0.00 176.91 176.09 1rdx h ALA 285 N 1.70 0.78 -0.01 0.39 0.00 -1.39 0.12 119.26 120.86 1rdx h ALA 285 Ca 0.57 -0.64 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 1rdx h ALA 285 Cb 1.06 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1rdx h ALA 285 CO -0.50 0.86 -0.58 -0.92 0.00 0.00 0.00 179.25 178.10 1rdx h TYR 286 N 0.06 0.04 -0.35 0.00 5.03 -0.57 -1.29 116.97 119.88 1rdx h TYR 286 Ca -0.01 -0.01 -0.04 0.00 2.58 0.00 0.00 58.73 61.25 1rdx h TYR 286 Cb 1.27 -0.01 -0.01 0.00 1.55 0.00 0.00 36.73 39.53 1rdx h TYR 286 CO 0.01 0.60 0.07 0.28 -1.32 0.00 0.00 178.16 177.80 1rdx h VAL 287 N 0.02 1.23 0.22 1.81 2.07 0.51 -3.22 116.25 118.89 1rdx h VAL 287 Ca -0.01 -0.78 -0.01 0.00 0.82 0.00 0.00 66.70 66.72 1rdx h VAL 287 Cb 1.03 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.89 1rdx h VAL 287 CO 0.08 0.26 -0.11 -0.03 0.02 0.00 0.00 177.57 177.80 1rdx h MET 288 N 0.41 -0.28 -1.04 1.57 1.85 -0.21 0.02 114.93 117.25 1rdx h MET 288 Ca 0.11 0.02 0.27 0.00 -0.61 0.00 0.00 59.70 59.48 1rdx h MET 288 Cb 0.32 0.06 -0.11 0.00 0.43 0.00 0.00 31.60 32.31 1rdx h MET 288 CO 0.00 -0.19 0.65 0.93 -0.40 0.00 0.00 176.91 177.90 1rdx h GLU 289 N -0.40 0.44 0.00 0.39 4.39 -0.83 1.33 114.58 119.90 1rdx h GLU 289 Ca -0.03 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.64 1rdx h GLU 289 Cb 0.23 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 1rdx h GLU 289 CO 0.05 0.29 0.00 -0.22 -1.16 0.00 0.00 179.01 177.97 1rdx h LYS 290 N 0.46 0.00 -0.00 2.33 1.63 -1.56 -0.99 116.57 118.43 1rdx h LYS 290 Ca 0.63 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.43 1rdx h LYS 290 Cb 1.44 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.07 1rdx h LYS 290 CO -0.38 0.00 -0.31 0.00 -3.45 0.00 0.00 179.45 175.31 1rdx n ALA 291 N -1.81 3.13 -0.55 5.00 0.00 0.45 -4.42 120.51 122.30 1rdx n ALA 291 Ca 0.03 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.17 1rdx n ALA 291 Cb 0.32 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.55 1rdx n ALA 291 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rdx n GLY 292 N 1.44 0.66 3.19 0.00 0.00 -0.38 -4.59 105.19 105.52 1rdx n GLY 292 Ca 0.08 -0.54 -0.34 0.00 0.00 0.00 0.00 46.02 45.22 1rdx n GLY 292 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rdx s GLY 293 N -2.49 1.53 0.16 -0.02 0.00 -0.55 -4.46 107.32 101.48 1rdx s GLY 293 Ca 0.00 -1.30 -0.34 0.00 0.00 0.00 0.00 44.72 43.08 1rdx s GLY 293 CO 0.00 0.40 1.21 1.04 0.00 0.00 0.00 173.10 175.75 1rdx n LEU 294 N 4.67 1.63 -4.19 0.66 4.77 -0.51 -2.31 117.00 121.71 1rdx n LEU 294 Ca -0.19 1.14 -0.27 0.00 -0.03 0.00 0.00 56.01 56.66 1rdx n LEU 294 Cb 0.49 -1.22 -0.16 0.00 -2.33 0.00 0.00 43.42 40.20 1rdx n LEU 294 CO 0.27 -1.21 -0.52 0.00 -1.33 0.00 0.00 177.39 174.60 1rdx s ALA 295 N -0.04 1.64 0.36 -1.18 0.00 -1.26 -1.37 121.76 119.91 1rdx s ALA 295 Ca 0.75 -0.83 0.06 0.00 0.00 0.00 0.00 51.96 51.94 1rdx s ALA 295 Cb -0.86 -0.44 -0.02 0.00 0.00 0.00 0.00 23.12 21.79 1rdx s ALA 295 CO 0.51 0.38 0.21 2.41 0.00 0.00 0.00 175.76 179.27 1rdx n THR 296 N 2.71 0.00 0.00 0.00 -1.04 0.34 -4.69 114.28 111.60 1rdx n THR 296 Ca -0.16 -2.34 0.00 0.00 -2.04 0.00 0.00 64.05 59.51 1rdx n THR 296 Cb 0.53 1.01 0.00 0.00 -1.82 0.00 0.00 70.33 70.05 1rdx n THR 296 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1rdx n THR 297 N -0.76 0.00 0.00 12.58 -1.04 -1.23 -0.35 114.28 123.48 1rdx n THR 297 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 1rdx n THR 297 Cb 0.59 -0.11 0.00 0.00 -1.82 0.00 0.00 70.33 68.99 1rdx n THR 297 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1rdx n GLY 298 N 2.65 2.91 0.13 3.41 0.00 -1.26 -3.85 105.19 109.17 1rdx n GLY 298 Ca 0.00 -0.31 -0.13 0.00 0.00 0.00 0.00 46.02 45.58 1rdx n GLY 298 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rdx h LYS 299 N 0.00 0.32 0.00 1.61 1.57 -2.01 -3.45 116.57 114.61 1rdx h LYS 299 Ca 0.00 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1rdx h LYS 299 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1rdx h LYS 299 CO 0.00 0.69 0.00 -0.85 -0.57 0.00 0.00 179.45 178.72 1rdx n GLU 300 N -4.61 3.25 -4.04 3.15 0.28 -1.26 -5.10 120.64 112.31 1rdx n GLU 300 Ca -0.06 0.00 -0.09 0.00 -0.16 0.00 0.00 57.16 56.84 1rdx n GLU 300 Cb 0.33 0.00 -0.08 0.00 1.43 0.00 0.00 31.44 33.12 1rdx n GLU 300 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1rdx s ALA 301 N -3.93 0.37 0.01 -1.84 0.00 -1.26 -3.58 121.76 111.53 1rdx s ALA 301 Ca 0.00 -1.13 -0.20 0.00 0.00 0.00 0.00 51.96 50.63 1rdx s ALA 301 Cb 0.00 0.82 -0.19 0.00 0.00 0.00 0.00 23.12 23.75 1rdx s ALA 301 CO 0.00 -0.56 1.19 0.28 0.00 0.00 0.00 175.76 176.67 1rdx h VAL 302 N 2.72 1.41 0.00 0.00 2.07 -1.84 -3.21 116.25 117.40 1rdx h VAL 302 Ca -0.33 -1.76 0.00 0.00 0.82 0.00 0.00 66.70 65.43 1rdx h VAL 302 Cb 1.21 2.32 0.00 0.00 -1.52 0.00 0.00 31.29 33.30 1rdx h VAL 302 CO 0.54 0.51 0.00 0.18 0.02 0.00 0.00 177.57 178.82 1rdx n LEU 303 N -4.38 0.00 -2.90 2.57 4.77 -1.26 -3.00 117.00 112.81 1rdx n LEU 303 Ca -0.08 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.80 1rdx n LEU 303 Cb 0.53 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.61 1rdx n LEU 303 CO 0.43 0.00 0.03 -0.90 -1.33 0.00 0.00 177.39 175.62 1rdx n ASP 304 N -0.50 -2.70 -3.82 -1.43 5.75 -1.21 -3.45 116.55 109.19 1rdx n ASP 304 Ca 0.00 -2.85 -0.12 0.00 -0.01 0.00 0.00 54.79 51.80 1rdx n ASP 304 Cb 0.00 1.24 -0.12 0.00 -1.03 0.00 0.00 41.12 41.21 1rdx n ASP 304 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1rdx s ILE 305 N 0.62 0.02 -0.34 2.12 1.01 -1.16 -4.64 121.20 118.82 1rdx s ILE 305 Ca 0.31 -0.15 -0.01 0.00 0.00 0.00 0.00 60.65 60.81 1rdx s ILE 305 Cb 0.04 -0.32 0.12 0.00 0.01 0.00 0.00 42.46 42.31 1rdx s ILE 305 CO -0.11 -0.08 0.16 0.68 0.00 0.00 0.00 174.94 175.59 1rdx s VAL 306 N -0.22 0.68 0.75 2.92 -7.23 -1.26 -3.32 120.40 112.72 1rdx s VAL 306 Ca -0.03 -1.59 -0.14 0.00 -1.81 0.00 0.00 61.98 58.40 1rdx s VAL 306 Cb -0.03 -1.51 0.05 0.00 0.56 0.00 0.00 36.38 35.46 1rdx s VAL 306 CO 0.01 -0.79 1.18 -2.84 -0.31 0.00 0.00 175.10 172.34 1rdx s PRO 307 N 1.32 2.04 -0.07 4.82 0.02 -1.26 -4.99 135.00 136.89 1rdx s PRO 307 Ca 0.13 1.66 0.02 0.00 0.02 0.00 0.00 61.00 62.82 1rdx s PRO 307 Cb -0.20 -1.83 -0.25 0.00 0.02 0.00 0.00 34.50 32.24 1rdx s PRO 307 CO -0.17 -1.89 0.58 1.79 -0.33 0.00 0.00 177.00 176.98 1rdx h THR 308 N -0.56 0.81 -4.23 0.99 1.35 -1.97 -3.46 112.91 105.84 1rdx h THR 308 Ca -0.47 -2.57 -0.62 0.00 -0.55 0.00 0.00 66.41 62.20 1rdx h THR 308 Cb 1.28 2.52 -0.30 0.00 -1.73 0.00 0.00 68.15 69.92 1rdx h THR 308 CO 0.49 0.72 -0.86 -0.62 -0.25 0.00 0.00 175.52 175.00 1rdx s ASP 309 N -6.65 2.56 0.00 5.36 -1.08 -1.26 -4.98 116.67 110.62 1rdx s ASP 309 Ca -0.13 -0.41 0.05 0.00 -0.52 0.00 0.00 52.55 51.54 1rdx s ASP 309 Cb 0.07 -0.48 0.30 0.00 -1.46 0.00 0.00 42.92 41.35 1rdx s ASP 309 CO 0.81 0.23 0.75 2.30 0.52 0.00 0.00 175.17 179.78 1rdx n ILE 310 N 2.78 0.00 -3.44 4.11 -5.35 -1.26 -2.10 119.36 114.11 1rdx n ILE 310 Ca -0.16 0.00 -0.26 0.00 -0.27 0.00 0.00 62.75 62.05 1rdx n ILE 310 Cb 0.52 -0.88 -0.09 0.00 -1.74 0.00 0.00 39.64 37.45 1rdx n ILE 310 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 1rdx n HIS 311 N -0.97 0.82 -4.04 4.28 8.25 -1.26 -4.67 115.22 117.64 1rdx n HIS 311 Ca 0.04 -3.72 -0.31 0.00 -0.26 0.00 0.00 57.72 53.47 1rdx n HIS 311 Cb 0.02 -0.23 -0.16 0.00 1.12 0.00 0.00 29.99 30.74 1rdx n HIS 311 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 1rdx s GLN 312 N -1.03 2.32 -0.29 -0.41 0.74 -0.89 -5.03 119.66 115.07 1rdx s GLN 312 Ca 0.33 -0.84 -0.28 0.00 0.05 0.00 0.00 55.36 54.62 1rdx s GLN 312 Cb 0.08 -2.45 -0.05 0.00 1.10 0.00 0.00 33.01 31.69 1rdx s GLN 312 CO -0.14 -0.36 2.27 1.03 -0.55 0.00 0.00 175.29 177.55 1rdx s ARG 313 N 1.35 2.85 -0.20 1.67 0.52 -1.26 -1.82 118.95 122.07 1rdx s ARG 313 Ca 0.00 1.87 -0.05 0.00 -0.52 0.00 0.00 55.73 57.04 1rdx s ARG 313 Cb -0.15 -4.43 -0.02 0.00 0.52 0.00 0.00 34.95 30.87 1rdx s ARG 313 CO -0.09 -2.42 -0.01 0.00 0.02 0.00 0.00 175.30 172.79 1rdx s ALA 314 N 9.35 2.98 1.32 2.13 0.00 -1.24 -4.47 121.76 131.82 1rdx s ALA 314 Ca 1.00 -1.00 -0.18 0.00 0.00 0.00 0.00 51.96 51.78 1rdx s ALA 314 Cb -0.29 -1.73 0.34 0.00 0.00 0.00 0.00 23.12 21.44 1rdx s ALA 314 CO 0.33 -0.14 0.97 -2.14 0.00 0.00 0.00 175.76 174.77 1rdx s PRO 315 N 0.99 -2.11 -0.05 0.00 0.02 -1.25 -3.18 135.00 129.43 1rdx s PRO 315 Ca 0.01 0.50 -0.12 0.00 0.02 0.00 0.00 61.00 61.41 1rdx s PRO 315 Cb -0.14 -1.44 0.02 0.00 0.02 0.00 0.00 34.50 32.95 1rdx s PRO 315 CO 0.01 -4.42 0.28 -1.50 -0.33 0.00 0.00 177.00 171.04 1rdx s ILE 316 N -2.32 0.04 -0.29 2.83 2.07 -1.24 -4.37 121.20 117.92 1rdx s ILE 316 Ca 0.69 -0.34 0.01 0.00 -1.41 0.00 0.00 60.65 59.60 1rdx s ILE 316 Cb -0.20 -0.51 0.19 0.00 0.13 0.00 0.00 42.46 42.07 1rdx s ILE 316 CO 0.62 -0.18 0.68 -0.63 -1.91 0.00 0.00 174.94 173.52 1rdx s ILE 317 N -0.79 -0.85 0.06 2.00 1.01 0.53 0.27 121.20 123.43 1rdx s ILE 317 Ca -0.09 0.00 -0.06 0.00 0.00 0.00 0.00 60.65 60.50 1rdx s ILE 317 Cb -0.04 -0.90 -0.01 0.00 0.01 0.00 0.00 42.46 41.52 1rdx s ILE 317 CO 0.02 0.00 0.12 -1.48 0.00 0.00 0.00 174.94 173.61 1rdx s LEU 318 N 2.86 1.72 0.00 2.97 0.05 0.36 0.13 118.68 126.77 1rdx s LEU 318 Ca 0.14 -0.66 0.00 0.00 0.05 0.00 0.00 54.13 53.66 1rdx s LEU 318 Cb -0.10 0.75 0.00 0.00 -2.05 0.00 0.00 46.19 44.79 1rdx s LEU 318 CO -0.24 -0.63 0.00 0.61 -0.55 0.00 0.00 176.35 175.54 1rdx n GLY 319 N 0.26 -0.80 3.77 -3.48 0.00 -0.47 -0.31 105.19 104.17 1rdx n GLY 319 Ca -0.16 -0.29 -0.38 0.00 0.00 0.00 0.00 46.02 45.19 1rdx n GLY 319 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1rdx s SER 320 N -4.00 7.15 0.23 1.61 0.01 -1.23 -1.42 113.70 116.04 1rdx s SER 320 Ca 0.00 2.02 0.02 0.00 1.31 0.00 0.00 55.95 59.31 1rdx s SER 320 Cb 0.00 -2.60 0.58 0.00 0.21 0.00 0.00 66.02 64.22 1rdx s SER 320 CO 0.00 -0.21 1.15 -2.65 0.41 0.00 0.00 173.24 171.93 1rdx n PRO 321 N 0.59 -0.06 -0.00 12.44 -0.02 -1.25 0.11 135.00 146.80 1rdx n PRO 321 Ca 0.02 1.09 -0.17 0.00 -2.02 0.00 0.00 63.50 62.42 1rdx n PRO 321 Cb 0.48 -1.74 -0.13 0.00 -0.02 0.00 0.00 33.50 32.09 1rdx n PRO 321 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1rdx h GLU 322 N 0.00 0.23 -0.86 -0.52 3.07 -1.90 -1.74 114.58 112.86 1rdx h GLU 322 Ca 0.45 -0.30 0.20 0.00 -0.50 0.00 0.00 59.36 59.20 1rdx h GLU 322 Cb 0.96 0.10 -0.12 0.00 -0.84 0.00 0.00 28.75 28.85 1rdx h GLU 322 CO -0.68 1.07 0.35 -0.44 -1.40 0.00 0.00 179.01 177.91 1rdx h ASP 323 N -0.47 0.29 0.08 1.42 3.32 0.58 -1.76 116.42 119.88 1rdx h ASP 323 Ca -0.07 0.14 -0.37 0.00 0.02 0.00 0.00 57.03 56.76 1rdx h ASP 323 Cb 1.26 0.13 -0.06 0.00 0.22 0.00 0.00 39.33 40.88 1rdx h ASP 323 CO 0.09 0.03 -2.29 0.52 -1.72 0.00 0.00 179.24 175.87 1rdx n VAL 324 N -5.04 1.51 -0.15 -1.35 0.31 0.07 -4.24 118.33 109.44 1rdx n VAL 324 Ca 0.20 -0.71 0.08 0.00 -0.01 0.00 0.00 64.34 63.90 1rdx n VAL 324 Cb 0.58 -1.09 0.40 0.00 -0.91 0.00 0.00 33.84 32.81 1rdx n VAL 324 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1rdx h THR 325 N 0.01 0.98 -0.23 2.52 1.03 -1.20 0.24 112.91 116.25 1rdx h THR 325 Ca -0.51 -0.22 0.05 0.00 -0.01 0.00 0.00 66.41 65.72 1rdx h THR 325 Cb 2.05 0.28 -0.05 0.00 -1.07 0.00 0.00 68.15 69.36 1rdx h THR 325 CO -0.00 0.12 -0.12 -0.08 -0.01 0.00 0.00 175.52 175.43 1rdx h GLU 326 N 0.64 -0.09 -0.49 0.00 4.81 -1.51 0.51 114.58 118.46 1rdx h GLU 326 Ca 0.30 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.48 1rdx h GLU 326 Cb 0.34 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 1rdx h GLU 326 CO -0.10 -0.06 0.10 1.25 -0.73 0.00 0.00 179.01 179.47 1rdx h LEU 327 N -0.09 0.76 -1.50 1.64 5.85 -0.86 0.71 115.31 121.83 1rdx h LEU 327 Ca 0.13 -0.25 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 1rdx h LEU 327 Cb 0.28 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.11 1rdx h LEU 327 CO -0.29 0.81 -0.07 0.25 -0.34 0.00 0.00 178.44 178.80 1rdx h LEU 328 N 0.68 0.00 -0.11 2.25 7.12 -0.31 0.26 115.31 125.20 1rdx h LEU 328 Ca 0.15 0.00 -0.21 0.00 0.13 0.00 0.00 57.88 57.95 1rdx h LEU 328 Cb 0.36 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.47 1rdx h LEU 328 CO 0.01 0.07 -0.97 -0.33 -0.13 0.00 0.00 178.44 177.09 1rdx h GLU 329 N 0.00 0.05 -0.17 1.25 5.08 0.11 0.32 114.58 121.22 1rdx h GLU 329 Ca -0.00 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1rdx h GLU 329 Cb 0.53 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 1rdx h GLU 329 CO 0.01 0.97 0.11 0.82 -1.00 0.00 0.00 179.01 179.92 1rdx h ILE 330 N 0.02 1.06 0.18 3.13 2.04 0.33 0.27 117.51 124.53 1rdx h ILE 330 Ca -0.03 -0.14 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 1rdx h ILE 330 Cb 1.68 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 38.62 1rdx h ILE 330 CO 0.13 0.06 -0.09 1.88 0.00 0.00 0.00 178.15 180.13 1rdx h TYR 331 N 0.21 -0.22 -0.70 1.37 0.05 -0.43 1.51 116.97 118.76 1rdx h TYR 331 Ca 0.06 -0.01 0.07 0.00 0.05 0.00 0.00 58.73 58.90 1rdx h TYR 331 Cb 0.00 0.07 -0.09 0.00 1.01 0.00 0.00 36.73 37.73 1rdx h TYR 331 CO -0.06 -0.10 -0.48 1.96 -1.05 0.00 0.00 178.16 178.43 1rdx h GLN 332 N -0.29 -0.08 -0.33 4.88 4.20 0.24 0.39 115.11 124.12 1rdx h GLN 332 Ca -0.02 0.01 -0.08 0.00 0.06 0.00 0.00 58.65 58.61 1rdx h GLN 332 Cb 0.22 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.01 1rdx h GLN 332 CO 0.04 -0.05 -0.12 -0.22 -0.67 0.00 0.00 178.83 177.81 1rdx h LYS 333 N -0.08 0.58 -0.61 1.46 3.11 -0.28 -2.61 116.57 118.13 1rdx h LYS 333 Ca 0.11 -0.17 0.00 0.00 -2.81 0.00 0.00 60.65 57.78 1rdx h LYS 333 Cb 0.38 -0.06 0.00 0.00 -1.00 0.00 0.00 32.23 31.55 1rdx h LYS 333 CO -0.70 0.69 0.00 0.72 -2.81 0.00 0.00 179.45 177.35 1rdx n HIS 334 N -4.19 0.00 -0.15 1.91 8.25 0.52 -3.86 115.22 117.70 1rdx n HIS 334 Ca 0.01 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.57 1rdx n HIS 334 Cb 0.34 -0.06 0.44 0.00 1.12 0.00 0.00 29.99 31.82 1rdx n HIS 334 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1rdx h ALA 335 N 1.98 1.90 -0.10 -1.41 0.00 -0.79 -3.47 119.26 117.38 1rdx h ALA 335 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1rdx h ALA 335 Cb 0.30 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1rdx h ALA 335 CO 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 179.25 179.20 1rdx n ALA 336 N -2.49 0.00 -0.92 0.00 0.00 -1.25 -5.14 120.51 110.71 1rdx n ALA 336 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1rdx n ALA 336 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.80 1rdx n ALA 336 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86