#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hdx s GLN 40 N 0.00 4.29 0.44 -2.82 2.00 -1.26 -5.02 119.66 117.28 3hdx s GLN 40 Ca 0.00 2.12 0.06 0.00 -2.00 0.00 0.00 55.36 55.54 3hdx s GLN 40 Cb 0.00 -3.33 -0.04 0.00 0.80 0.00 0.00 33.01 30.43 3hdx s GLN 40 CO 0.00 -0.51 0.14 -0.65 -0.50 0.00 0.00 175.29 173.77 3hdx s GLN 41 N 1.50 2.17 -0.13 1.67 -1.52 -1.26 -5.08 119.66 117.02 3hdx s GLN 41 Ca 0.66 -1.99 0.23 0.00 -1.95 0.00 0.00 55.36 52.31 3hdx s GLN 41 Cb -0.37 -1.86 0.46 0.00 -0.22 0.00 0.00 33.01 31.02 3hdx s GLN 41 CO 0.30 -0.18 1.15 0.91 -0.25 0.00 0.00 175.29 177.22 3hdx n TRP 42 N -1.24 0.60 0.02 0.91 7.02 -1.26 -4.66 117.44 118.84 3hdx n TRP 42 Ca -0.04 -1.26 -0.11 0.00 -1.02 0.00 0.00 57.50 55.06 3hdx n TRP 42 Cb 0.65 -0.20 -0.14 0.00 -2.42 0.00 0.00 31.31 29.21 3hdx n TRP 42 CO 0.00 0.00 0.00 -0.22 -2.02 0.00 0.00 177.69 175.45 3hdx h LYS 43 N 1.66 0.08 -5.30 -0.99 3.64 -1.96 -3.34 116.57 110.37 3hdx h LYS 43 Ca -0.15 -0.14 -0.46 0.00 -1.27 0.00 0.00 60.65 58.62 3hdx h LYS 43 Cb 1.59 0.05 -0.14 0.00 -0.41 0.00 0.00 32.23 33.32 3hdx h LYS 43 CO 0.16 0.82 -0.64 0.95 -2.27 0.00 0.00 179.45 178.47 3hdx s THR 44 N -2.63 1.32 0.26 1.00 -4.23 -1.26 -4.13 115.64 105.97 3hdx s THR 44 Ca -0.06 -2.05 -0.02 0.00 -1.18 0.00 0.00 61.69 58.39 3hdx s THR 44 Cb 0.08 -2.59 0.23 0.00 1.34 0.00 0.00 72.50 71.56 3hdx s THR 44 CO 0.83 -0.17 1.78 0.25 -0.54 0.00 0.00 174.62 176.77 3hdx h LEU 45 N 2.23 0.58 -0.98 4.79 5.85 -1.92 -1.26 115.31 124.61 3hdx h LEU 45 Ca -0.40 0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.36 3hdx h LEU 45 Cb 1.24 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 42.21 3hdx h LEU 45 CO 0.68 0.28 0.29 -0.33 -0.34 0.00 0.00 178.44 179.01 3hdx h GLU 46 N 0.68 1.02 -0.24 1.25 3.07 -1.98 0.05 114.58 118.43 3hdx h GLU 46 Ca 0.45 -0.17 -0.01 0.00 -0.50 0.00 0.00 59.36 59.13 3hdx h GLU 46 Cb 0.57 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 28.29 3hdx h GLU 46 CO -0.33 0.82 0.10 -0.44 -1.40 0.00 0.00 179.01 177.77 3hdx h ASP 47 N 1.00 0.33 -0.31 1.42 3.32 -1.56 -1.11 116.42 119.52 3hdx h ASP 47 Ca 0.24 -0.15 -0.15 0.00 0.02 0.00 0.00 57.03 56.98 3hdx h ASP 47 Cb 0.18 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 3hdx h ASP 47 CO -0.02 0.39 -0.38 0.71 -1.72 0.00 0.00 179.24 178.22 3hdx h THR 48 N 0.25 1.28 -0.22 0.35 1.35 -1.19 -1.85 112.91 112.87 3hdx h THR 48 Ca 0.08 -1.55 0.02 0.00 -0.55 0.00 0.00 66.41 64.42 3hdx h THR 48 Cb 0.16 1.40 -0.03 0.00 -1.73 0.00 0.00 68.15 67.95 3hdx h THR 48 CO -0.01 0.51 0.07 -0.09 -0.25 0.00 0.00 175.52 175.75 3hdx h ARG 49 N 0.70 0.16 -0.69 4.72 2.43 -0.94 0.18 114.38 120.94 3hdx h ARG 49 Ca 0.06 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.22 3hdx h ARG 49 Cb 0.95 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.43 3hdx h ARG 49 CO 0.09 0.11 0.42 1.03 -1.51 0.00 0.00 179.97 180.11 3hdx h SER 50 N 0.17 0.82 -0.52 -3.80 0.87 -1.06 -2.71 113.55 107.32 3hdx h SER 50 Ca 0.10 -0.05 -0.07 0.00 -1.23 0.00 0.00 61.79 60.54 3hdx h SER 50 Cb 0.07 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 61.81 3hdx h SER 50 CO -0.11 0.63 0.07 0.00 -0.53 0.00 0.00 176.83 176.89 3hdx h ALA 51 N 1.22 0.70 0.00 6.23 0.00 -1.04 -0.59 119.26 125.78 3hdx h ALA 51 Ca 0.25 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hdx h ALA 51 Cb -0.05 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.55 3hdx h ALA 51 CO -0.05 0.45 0.00 -0.11 0.00 0.00 0.00 179.25 179.54 3hdx n LEU 52 N -4.36 0.12 0.00 0.00 7.94 0.02 -1.67 117.00 119.05 3hdx n LEU 52 Ca 0.02 -0.06 0.00 0.00 -1.11 0.00 0.00 56.01 54.86 3hdx n LEU 52 Cb 0.27 -0.03 0.00 0.00 0.53 0.00 0.00 43.42 44.19 3hdx n LEU 52 CO 0.41 0.02 0.00 0.61 -1.11 0.00 0.00 177.39 177.33 3hdx n GLY 54 N 0.68 0.00 0.26 -3.96 0.00 -0.23 -2.33 105.19 99.61 3hdx n GLY 54 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 3hdx n GLY 54 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3hdx h VAL 55 N 0.00 1.25 -0.55 1.61 2.07 -1.60 -0.41 116.25 118.62 3hdx h VAL 55 Ca 0.00 -0.89 0.03 0.00 0.82 0.00 0.00 66.70 66.66 3hdx h VAL 55 Cb 0.00 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 30.49 3hdx h VAL 55 CO 0.00 0.33 0.31 1.88 0.02 0.00 0.00 177.57 180.11 3hdx h TYR 56 N 0.80 0.58 -0.66 1.57 0.05 -1.76 -1.27 116.97 116.28 3hdx h TYR 56 Ca 0.17 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.96 3hdx h TYR 56 Cb 0.35 -0.18 -0.03 0.00 1.01 0.00 0.00 36.73 37.88 3hdx h TYR 56 CO 0.02 0.32 0.36 0.78 -1.05 0.00 0.00 178.16 178.59 3hdx h GLY 57 N 0.61 0.98 1.27 3.88 0.00 -1.75 -1.36 103.07 106.70 3hdx h GLY 57 Ca 0.23 -0.44 -0.06 0.00 0.00 0.00 0.00 47.33 47.05 3hdx h GLY 57 CO -0.12 0.43 0.13 1.41 0.00 0.00 0.00 176.54 178.39 3hdx h LEU 58 N 0.90 0.86 -0.41 3.11 3.38 -0.87 -0.63 115.31 121.65 3hdx h LEU 58 Ca 0.23 -0.17 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 3hdx h LEU 58 Cb 0.04 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3hdx h LEU 58 CO -0.04 0.84 -0.06 0.74 0.09 0.00 0.00 178.44 180.01 3hdx h THR 59 N 0.87 1.27 -0.35 0.22 2.02 -0.82 -1.00 112.91 115.12 3hdx h THR 59 Ca 0.19 -1.13 0.01 0.00 0.77 0.00 0.00 66.41 66.25 3hdx h THR 59 Cb 0.33 1.18 -0.02 0.00 -1.74 0.00 0.00 68.15 67.90 3hdx h THR 59 CO 0.00 0.38 0.21 -0.09 0.37 0.00 0.00 175.52 176.39 3hdx h ARG 60 N 0.58 0.42 -0.60 6.66 2.43 -1.11 -2.47 114.38 120.28 3hdx h ARG 60 Ca 0.11 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.25 3hdx h ARG 60 Cb 0.57 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 30.00 3hdx h ARG 60 CO 0.03 0.28 0.36 0.00 -1.51 0.00 0.00 179.97 179.13 3hdx h ALA 61 N 1.15 1.50 -0.82 2.80 0.00 -0.86 0.71 119.26 123.73 3hdx h ALA 61 Ca 0.13 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3hdx h ALA 61 Cb -0.02 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.49 3hdx h ALA 61 CO -0.05 0.43 0.44 0.00 0.00 0.00 0.00 179.25 180.07 3hdx h ALA 62 N 1.57 1.06 0.03 0.00 0.00 -0.72 0.24 119.26 121.44 3hdx h ALA 62 Ca 0.22 -0.13 -0.24 0.00 0.00 0.00 0.00 54.91 54.75 3hdx h ALA 62 Cb -0.03 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.41 3hdx h ALA 62 CO -0.04 0.58 -1.17 -0.07 0.00 0.00 0.00 179.25 178.55 3hdx h LEU 63 N 1.15 0.10 0.00 0.00 4.07 -1.25 -3.38 115.31 116.00 3hdx h LEU 63 Ca 0.29 -0.12 -0.25 0.00 0.08 0.00 0.00 57.88 57.89 3hdx h LEU 63 Cb 0.06 -0.03 -0.04 0.00 1.08 0.00 0.00 40.66 41.72 3hdx h LEU 63 CO -0.04 1.09 -1.60 0.00 -1.08 0.00 0.00 178.44 176.81 3hdx n ALA 64 N -2.43 1.66 -1.65 1.53 0.00 0.20 -0.65 120.51 119.17 3hdx n ALA 64 Ca -0.05 -0.69 -0.51 0.00 0.00 0.00 0.00 53.44 52.20 3hdx n ALA 64 Cb 0.98 -0.89 -0.06 0.00 0.00 0.00 0.00 19.45 19.48 3hdx n ALA 64 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3hdx n ASP 65 N -2.98 2.41 -2.22 0.00 2.03 0.06 -0.83 116.55 115.02 3hdx n ASP 65 Ca -0.14 1.08 -0.13 0.00 0.52 0.00 0.00 54.79 56.11 3hdx n ASP 65 Cb 0.97 -1.27 -0.02 0.00 -0.72 0.00 0.00 41.12 40.09 3hdx n ASP 65 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 3hdx n ASN 66 N 3.86 -4.03 -2.78 1.67 4.13 -1.26 -1.50 115.26 115.35 3hdx n ASN 66 Ca 0.20 0.20 -0.20 0.00 1.68 0.00 0.00 54.58 56.46 3hdx n ASN 66 Cb 0.22 -3.48 0.01 0.00 -1.54 0.00 0.00 39.78 34.99 3hdx n ASN 66 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 3hdx n ASN 67 N -1.56 -5.19 -0.30 6.41 3.02 -0.01 -4.84 115.26 112.79 3hdx n ASN 67 Ca -0.15 -0.12 0.05 0.00 -0.03 0.00 0.00 54.58 54.32 3hdx n ASN 67 Cb 0.58 -4.28 0.14 0.00 -0.61 0.00 0.00 39.78 35.61 3hdx n ASN 67 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 3hdx h THR 68 N -0.63 0.16 -0.73 3.41 2.02 -1.21 0.39 112.91 116.31 3hdx h THR 68 Ca -0.45 -0.01 0.08 0.00 0.77 0.00 0.00 66.41 66.80 3hdx h THR 68 Cb 1.32 0.14 -0.06 0.00 -1.74 0.00 0.00 68.15 67.81 3hdx h THR 68 CO 0.52 0.00 0.40 -0.74 0.37 0.00 0.00 175.52 176.07 3hdx h HIS 69 N 0.02 0.73 0.16 3.16 -0.00 -1.19 0.12 115.15 118.15 3hdx h HIS 69 Ca 0.43 0.03 -0.33 0.00 -0.00 0.00 0.00 60.37 60.50 3hdx h HIS 69 Cb 0.71 -0.22 0.00 0.00 -0.00 0.00 0.00 27.41 27.91 3hdx h HIS 69 CO -0.62 0.32 -1.62 -1.49 -0.00 0.00 0.00 177.93 174.52 3hdx h TRP 70 N 0.71 0.61 -0.26 5.26 6.55 -1.62 -1.29 115.95 125.91 3hdx h TRP 70 Ca 0.34 -0.45 -0.00 0.00 0.95 0.00 0.00 58.89 59.73 3hdx h TRP 70 Cb 0.28 -0.02 -0.01 0.00 -0.86 0.00 0.00 29.16 28.54 3hdx h TRP 70 CO -0.08 1.52 0.14 0.82 -1.05 0.00 0.00 178.44 179.80 3hdx h ILE 71 N 0.09 1.11 0.00 1.49 1.08 -0.69 0.89 117.51 121.49 3hdx h ILE 71 Ca -0.29 -0.30 -0.21 0.00 -0.39 0.00 0.00 64.86 63.68 3hdx h ILE 71 Cb 2.07 0.84 -0.03 0.00 -3.07 0.00 0.00 36.82 36.63 3hdx h ILE 71 CO 0.18 0.11 -0.99 0.00 -0.69 0.00 0.00 178.15 176.76 3hdx n GLY 73 N 1.34 -0.74 0.11 0.00 0.00 -0.49 -4.64 105.19 100.78 3hdx n GLY 73 Ca -0.00 -0.27 -0.11 0.00 0.00 0.00 0.00 46.02 45.64 3hdx n GLY 73 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hdx n ASP 74 N -2.89 2.65 0.04 1.61 8.00 0.12 -0.76 116.55 125.32 3hdx n ASP 74 Ca -0.36 -0.06 -0.20 0.00 0.71 0.00 0.00 54.79 54.88 3hdx n ASP 74 Cb 1.07 -0.27 -0.12 0.00 -0.02 0.00 0.00 41.12 41.79 3hdx n ASP 74 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3hdx h LEU 75 N -0.05 0.75 -9.06 0.64 5.85 -1.10 -3.32 115.31 109.03 3hdx h LEU 75 Ca -0.36 -0.78 -0.57 0.00 0.84 0.00 0.00 57.88 57.01 3hdx h LEU 75 Cb 1.53 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 42.33 3hdx h LEU 75 CO -0.07 1.44 1.36 -0.60 -0.34 0.00 0.00 178.44 180.23 3hdx s ARG 76 N -3.15 3.47 -1.14 1.25 3.52 -1.19 -1.77 118.95 119.94 3hdx s ARG 76 Ca -0.11 2.03 -0.07 0.00 -0.13 0.00 0.00 55.73 57.45 3hdx s ARG 76 Cb 0.05 -4.26 0.05 0.00 -1.56 0.00 0.00 34.95 29.24 3hdx s ARG 76 CO 0.89 -1.71 0.34 1.63 -0.81 0.00 0.00 175.30 175.64 3hdx n LYS 77 N 8.29 -3.04 -0.31 5.12 4.76 -0.38 -4.51 118.16 128.10 3hdx n LYS 77 Ca 0.25 0.46 0.00 0.00 -2.87 0.00 0.00 58.31 56.15 3hdx n LYS 77 Cb 0.44 -5.12 0.00 0.00 -1.84 0.00 0.00 35.03 28.51 3hdx n LYS 77 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hdx n GLY 78 N -1.04 0.78 0.99 0.72 0.00 -0.73 -4.94 105.19 100.98 3hdx n GLY 78 Ca -0.04 -1.91 0.12 0.00 0.00 0.00 0.00 46.02 44.19 3hdx n GLY 78 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hdx n ASP 79 N -1.54 3.01 -4.70 1.61 8.00 -1.26 -4.92 116.55 116.76 3hdx n ASP 79 Ca 0.00 -1.94 -0.39 0.00 0.71 0.00 0.00 54.79 53.17 3hdx n ASP 79 Cb 0.00 -0.13 -0.06 0.00 -0.02 0.00 0.00 41.12 40.91 3hdx n ASP 79 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3hdx s PHE 80 N -1.74 3.48 0.22 1.24 0.40 -1.26 -4.55 117.98 115.77 3hdx s PHE 80 Ca 0.34 0.95 -0.25 0.00 -0.60 0.00 0.00 56.93 57.38 3hdx s PHE 80 Cb 0.21 -2.67 -0.09 0.00 0.51 0.00 0.00 43.02 40.98 3hdx s PHE 80 CO 0.31 0.04 0.83 0.99 0.70 0.00 0.00 175.22 178.09 3hdx s THR 81 N 1.07 4.32 -0.20 0.64 2.01 0.14 -4.85 115.64 118.77 3hdx s THR 81 Ca 0.29 1.71 -0.12 0.00 0.31 0.00 0.00 61.69 63.88 3hdx s THR 81 Cb -0.16 -4.10 -0.05 0.00 0.01 0.00 0.00 72.50 68.21 3hdx s THR 81 CO 0.12 0.39 0.23 -0.69 -0.69 0.00 0.00 174.62 173.97 3hdx s VAL 82 N -1.31 5.33 0.02 3.82 1.01 -1.26 -1.11 120.40 126.89 3hdx s VAL 82 Ca 0.41 0.37 -0.25 0.00 0.00 0.00 0.00 61.98 62.51 3hdx s VAL 82 Cb -0.22 -3.57 -0.18 0.00 0.00 0.00 0.00 36.38 32.42 3hdx s VAL 82 CO 0.26 0.37 1.36 0.22 0.00 0.00 0.00 175.10 177.31 3hdx h TYR 83 N 7.00 -0.18 0.00 5.22 3.20 -1.37 -3.45 116.97 127.39 3hdx h TYR 83 Ca -0.39 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.47 3hdx h TYR 83 Cb 1.16 0.06 0.00 0.00 1.54 0.00 0.00 36.73 39.49 3hdx h TYR 83 CO 0.62 0.14 0.00 0.36 -1.64 0.00 0.00 178.16 177.65 3hdx n LYS 84 N -5.03 1.93 -2.38 1.82 2.85 -1.26 -5.11 118.16 110.98 3hdx n LYS 84 Ca -0.09 0.00 -0.43 0.00 -1.05 0.00 0.00 58.31 56.75 3hdx n LYS 84 Cb 0.21 -0.33 -0.02 0.00 -0.65 0.00 0.00 35.03 34.24 3hdx n LYS 84 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 3hdx s ARG 85 N -0.51 4.28 0.33 -1.58 0.52 -1.26 -4.92 118.95 115.81 3hdx s ARG 85 Ca 0.00 1.75 0.07 0.00 -0.52 0.00 0.00 55.73 57.03 3hdx s ARG 85 Cb 0.00 -3.67 0.57 0.00 0.52 0.00 0.00 34.95 32.37 3hdx s ARG 85 CO 0.00 -0.60 1.78 0.66 0.02 0.00 0.00 175.30 177.17 3hdx h SER 86 N 7.95 0.27 -0.18 0.23 4.64 -1.99 -1.51 113.55 122.96 3hdx h SER 86 Ca -0.32 -0.09 -0.03 0.00 -0.47 0.00 0.00 61.79 60.89 3hdx h SER 86 Cb 1.14 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 63.15 3hdx h SER 86 CO 0.92 0.55 0.00 -2.24 -0.87 0.00 0.00 176.83 175.20 3hdx h ASP 87 N 0.24 0.30 -0.58 4.97 2.03 -2.00 -0.17 116.42 121.22 3hdx h ASP 87 Ca 0.04 -0.30 -0.05 0.00 -0.73 0.00 0.00 57.03 55.98 3hdx h ASP 87 Cb 0.63 -0.08 -0.03 0.00 -0.83 0.00 0.00 39.33 39.02 3hdx h ASP 87 CO 0.05 0.53 0.19 -0.07 -1.03 0.00 0.00 179.24 178.90 3hdx h LEU 88 N 0.07 0.87 -1.00 0.15 3.38 -1.95 -2.16 115.31 114.66 3hdx h LEU 88 Ca 0.05 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 3hdx h LEU 88 Cb 0.37 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 3hdx h LEU 88 CO 0.01 0.82 0.13 -0.61 0.09 0.00 0.00 178.44 178.88 3hdx h GLN 89 N 0.90 0.85 -0.78 1.13 5.75 -1.00 -1.50 115.11 120.47 3hdx h GLN 89 Ca 0.20 -0.18 -0.02 0.00 -0.15 0.00 0.00 58.65 58.50 3hdx h GLN 89 Cb 0.27 -0.13 -0.04 0.00 1.07 0.00 0.00 27.48 28.66 3hdx h GLN 89 CO -0.01 0.77 0.40 0.00 -2.65 0.00 0.00 178.83 177.34 3hdx h ALA 90 N 1.32 1.01 0.11 3.38 0.00 -0.40 0.07 119.26 124.75 3hdx h ALA 90 Ca 0.18 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3hdx h ALA 90 Cb 0.31 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3hdx h ALA 90 CO -0.00 0.55 -0.05 0.28 0.00 0.00 0.00 179.25 180.03 3hdx h VAL 91 N 1.10 0.89 -1.00 0.00 2.07 -1.03 0.15 116.25 118.44 3hdx h VAL 91 Ca 0.27 -0.02 0.11 0.00 0.82 0.00 0.00 66.70 67.88 3hdx h VAL 91 Cb 0.08 0.91 -0.08 0.00 -1.52 0.00 0.00 31.29 30.68 3hdx h VAL 91 CO -0.04 0.00 0.64 -1.28 0.02 0.00 0.00 177.57 176.91 3hdx h SER 92 N -0.16 0.95 0.02 0.57 0.87 -0.97 -0.94 113.55 113.89 3hdx h SER 92 Ca -0.02 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 3hdx h SER 92 Cb 0.12 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 61.93 3hdx h SER 92 CO 0.03 0.53 -0.00 0.47 -0.53 0.00 0.00 176.83 177.32 3hdx n ASP 93 N -4.59 0.28 -2.31 6.23 8.00 -0.02 -1.25 116.55 122.90 3hdx n ASP 93 Ca 0.18 -1.07 -0.19 0.00 0.71 0.00 0.00 54.79 54.42 3hdx n ASP 93 Cb 0.32 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.41 3hdx n ASP 93 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3hdx n ASN 94 N -0.79 -5.57 -3.91 -2.24 5.15 -0.36 -4.93 115.26 102.61 3hdx n ASN 94 Ca 0.23 -0.07 -0.42 0.00 -0.60 0.00 0.00 54.58 53.72 3hdx n ASN 94 Cb 0.16 -4.57 0.01 0.00 -0.53 0.00 0.00 39.78 34.85 3hdx n ASN 94 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3hdx n GLU 95 N -3.04 4.55 0.00 1.20 1.02 -0.03 -4.83 120.64 119.51 3hdx n GLU 95 Ca -0.20 -4.58 0.13 0.00 -0.02 0.00 0.00 57.16 52.49 3hdx n GLU 95 Cb 0.66 -2.49 0.65 0.00 -0.02 0.00 0.00 31.44 30.24 3hdx n GLU 95 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3hdx n LEU 96 N 1.07 0.00 -0.10 -4.62 4.77 -1.26 -2.56 117.00 114.29 3hdx n LEU 96 Ca 0.29 0.34 0.13 0.00 -0.03 0.00 0.00 56.01 56.74 3hdx n LEU 96 Cb 0.32 -0.34 0.41 0.00 -2.33 0.00 0.00 43.42 41.48 3hdx n LEU 96 CO 0.68 -0.04 0.66 -0.46 -1.33 0.00 0.00 177.39 176.91 3hdx n ASN 97 N -1.34 0.60 -4.76 -1.43 0.23 -1.26 -4.83 115.26 102.47 3hdx n ASN 97 Ca 0.11 -0.44 -0.36 0.00 -0.53 0.00 0.00 54.58 53.36 3hdx n ASN 97 Cb 0.24 0.06 0.01 0.00 -2.08 0.00 0.00 39.78 38.02 3hdx n ASN 97 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 3hdx s LYS 98 N -2.73 3.32 -1.43 -3.83 1.02 -1.06 -4.88 119.74 110.15 3hdx s LYS 98 Ca 0.19 1.81 -0.12 0.00 0.02 0.00 0.00 55.97 57.87 3hdx s LYS 98 Cb 0.19 -2.12 -0.04 0.00 -0.52 0.00 0.00 37.83 35.33 3hdx s LYS 98 CO 0.58 -0.92 2.54 -0.35 -0.92 0.00 0.00 175.35 176.27 3hdx n PRO 99 N -1.13 3.07 -5.01 -1.68 -0.04 -1.26 -4.88 135.00 124.07 3hdx n PRO 99 Ca 0.11 -2.24 -0.32 0.00 -0.04 0.00 0.00 63.50 61.01 3hdx n PRO 99 Cb 0.49 -2.94 -0.15 0.00 -0.04 0.00 0.00 33.50 30.85 3hdx n PRO 99 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3hdx s TYR 100 N 2.87 2.65 0.32 0.54 2.02 -1.26 -5.03 117.35 119.46 3hdx s TYR 100 Ca 0.58 -0.66 0.02 0.00 -0.37 0.00 0.00 57.07 56.64 3hdx s TYR 100 Cb 0.15 -1.72 0.60 0.00 -0.40 0.00 0.00 41.96 40.59 3hdx s TYR 100 CO -0.05 -0.19 1.91 0.22 -1.57 0.00 0.00 175.55 175.87 3hdx h ASP 101 N 6.31 0.84 -0.45 2.29 3.58 -2.00 -2.14 116.42 124.85 3hdx h ASP 101 Ca -0.29 0.01 0.07 0.00 0.42 0.00 0.00 57.03 57.23 3hdx h ASP 101 Cb 1.20 -0.17 -0.06 0.00 1.72 0.00 0.00 39.33 42.02 3hdx h ASP 101 CO 0.51 0.53 0.11 0.25 -2.88 0.00 0.00 179.24 177.76 3hdx h LEU 102 N 0.95 0.06 -0.58 2.28 5.85 -1.97 -0.56 115.31 121.34 3hdx h LEU 102 Ca 0.39 0.07 -0.03 0.00 0.84 0.00 0.00 57.88 59.15 3hdx h LEU 102 Cb 0.28 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 3hdx h LEU 102 CO -0.15 0.07 0.26 -0.07 -0.34 0.00 0.00 178.44 178.21 3hdx h LEU 103 N 0.26 0.78 -0.54 2.25 3.38 -1.75 -1.11 115.31 118.58 3hdx h LEU 103 Ca 0.22 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 3hdx h LEU 103 Cb 0.25 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3hdx h LEU 103 CO -0.26 0.71 0.18 0.50 0.09 0.00 0.00 178.44 179.66 3hdx h LYS 104 N 0.79 0.83 -0.26 1.13 3.64 -1.05 -1.45 116.57 120.20 3hdx h LYS 104 Ca 0.20 -0.17 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 3hdx h LYS 104 Cb 0.15 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 3hdx h LYS 104 CO -0.02 0.75 0.09 0.87 -2.27 0.00 0.00 179.45 178.87 3hdx h LYS 105 N 0.74 0.41 -0.53 1.90 1.57 -0.95 -2.85 116.57 116.85 3hdx h LYS 105 Ca 0.18 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.84 3hdx h LYS 105 Cb 0.26 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 3hdx h LYS 105 CO -0.01 0.47 0.19 0.28 -0.57 0.00 0.00 179.45 179.81 3hdx h VAL 106 N 0.26 1.20 0.00 0.50 2.07 -1.14 -2.88 116.25 116.27 3hdx h VAL 106 Ca 0.09 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 66.94 3hdx h VAL 106 Cb 0.23 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 3hdx h VAL 106 CO -0.00 0.26 0.00 -1.54 0.02 0.00 0.00 177.57 176.30 3hdx n SER 107 N -4.32 0.62 -4.63 0.57 3.41 -0.55 -4.62 113.62 104.09 3hdx n SER 107 Ca 0.04 0.63 -0.42 0.00 -0.26 0.00 0.00 58.87 58.86 3hdx n SER 107 Cb 0.18 -0.77 -0.04 0.00 -0.26 0.00 0.00 64.21 63.32 3hdx n SER 107 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3hdx s ASN 108 N -4.15 6.79 0.00 4.04 3.84 -1.09 -2.99 114.94 121.38 3hdx s ASN 108 Ca 0.06 0.92 0.12 0.00 0.21 0.00 0.00 52.86 54.17 3hdx s ASN 108 Cb 0.10 -2.44 0.58 0.00 -0.55 0.00 0.00 41.25 38.94 3hdx s ASN 108 CO 0.43 -0.59 1.40 -2.67 -2.79 0.00 0.00 177.10 172.87 3hdx n TRP 109 N 6.17 0.11 -0.23 0.43 2.14 -1.26 -4.47 117.44 120.34 3hdx n TRP 109 Ca 0.06 -0.06 0.03 0.00 2.07 0.00 0.00 57.50 59.60 3hdx n TRP 109 Cb 0.48 0.00 0.14 0.00 -0.81 0.00 0.00 31.31 31.11 3hdx n TRP 109 CO 0.00 0.00 0.00 -0.09 2.07 0.00 0.00 177.69 179.67 3hdx h ARG 110 N 0.74 0.14 -0.24 -2.67 2.43 -1.95 -1.37 114.38 111.46 3hdx h ARG 110 Ca 0.00 -0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.23 3hdx h ARG 110 Cb 0.16 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 3hdx h ARG 110 CO 0.00 0.09 0.18 0.07 -1.51 0.00 0.00 179.97 178.80 3hdx h ARG 111 N 0.14 0.00 -0.11 0.20 0.11 -1.96 0.22 114.38 112.98 3hdx h ARG 111 Ca 0.37 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 60.36 3hdx h ARG 111 Cb 0.63 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.71 3hdx h ARG 111 CO -0.57 0.00 -0.28 0.74 0.10 0.00 0.00 179.97 179.97 3hdx h PHE 112 N 0.00 0.49 0.00 4.08 0.04 -1.59 -3.08 116.94 116.88 3hdx h PHE 112 Ca 0.11 -0.19 -0.02 0.00 2.80 0.00 0.00 57.97 60.67 3hdx h PHE 112 Cb 0.47 -0.09 -0.00 0.00 2.20 0.00 0.00 35.95 38.53 3hdx h PHE 112 CO 0.00 0.89 -0.11 1.88 -0.60 0.00 0.00 178.31 180.37 3hdx h TYR 113 N -0.05 0.00 -0.90 -0.55 0.05 -1.21 -1.75 116.97 112.56 3hdx h TYR 113 Ca -0.00 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.76 3hdx h TYR 113 Cb 0.88 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.58 3hdx h TYR 113 CO 0.11 0.11 0.50 0.00 -1.05 0.00 0.00 178.16 177.82 3hdx h ALA 114 N 1.89 1.18 0.19 3.88 0.00 -0.90 0.63 119.26 126.13 3hdx h ALA 114 Ca -0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3hdx h ALA 114 Cb 0.25 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3hdx h ALA 114 CO 0.01 0.66 -0.09 0.28 0.00 0.00 0.00 179.25 180.12 3hdx h VAL 115 N 1.26 0.90 -0.48 0.00 2.07 -1.28 -2.16 116.25 116.56 3hdx h VAL 115 Ca 0.32 -0.47 0.05 0.00 0.82 0.00 0.00 66.70 67.42 3hdx h VAL 115 Cb 0.02 1.18 -0.05 0.00 -1.52 0.00 0.00 31.29 30.92 3hdx h VAL 115 CO -0.05 0.11 0.21 0.40 0.02 0.00 0.00 177.57 178.26 3hdx h ILE 116 N -0.49 0.91 -0.31 4.57 2.04 -1.15 -0.49 117.51 122.59 3hdx h ILE 116 Ca -0.03 -0.15 -0.09 0.00 1.00 0.00 0.00 64.86 65.60 3hdx h ILE 116 Cb 0.37 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 3hdx h ILE 116 CO 0.04 0.08 -0.15 -1.13 0.00 0.00 0.00 178.15 176.99 3hdx h ASN 117 N 0.42 0.67 -0.84 1.72 -1.24 -0.92 -0.81 115.58 114.58 3hdx h ASN 117 Ca 0.22 -0.41 -0.01 0.00 0.71 0.00 0.00 56.30 56.81 3hdx h ASN 117 Cb 0.17 -0.19 -0.04 0.00 0.73 0.00 0.00 38.32 38.99 3hdx h ASN 117 CO -0.18 0.93 0.48 0.00 -1.29 0.00 0.00 177.43 177.37 3hdx h ALA 118 N 0.76 1.07 -0.40 1.57 0.00 -1.14 -0.11 119.26 121.02 3hdx h ALA 118 Ca 0.07 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3hdx h ALA 118 Cb 0.68 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3hdx h ALA 118 CO 0.05 0.56 0.16 0.00 0.00 0.00 0.00 179.25 180.02 3hdx h ALA 119 N 1.25 0.52 -0.65 0.00 0.00 -0.95 -1.15 119.26 118.29 3hdx h ALA 119 Ca 0.30 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 3hdx h ALA 119 Cb 0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3hdx h ALA 119 CO -0.05 0.12 0.39 0.77 0.00 0.00 0.00 179.25 180.48 3hdx h SER 120 N 0.50 0.77 -0.45 0.00 0.02 -0.70 -2.54 113.55 111.16 3hdx h SER 120 Ca 0.13 -0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 61.01 3hdx h SER 120 Cb 0.18 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 3hdx h SER 120 CO -0.01 0.60 0.22 0.58 -1.14 0.00 0.00 176.83 177.08 3hdx h VAL 121 N 0.88 1.18 0.00 2.27 2.07 -0.93 -1.89 116.25 119.83 3hdx h VAL 121 Ca 0.23 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 67.25 3hdx h VAL 121 Cb -0.03 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 3hdx h VAL 121 CO -0.04 0.20 0.00 0.33 0.02 0.00 0.00 177.57 178.07 3hdx n PHE 122 N -4.66 0.00 0.00 1.57 -0.00 -0.45 -0.78 117.46 113.14 3hdx n PHE 122 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.46 3hdx n PHE 122 Cb 0.11 -0.05 0.00 0.00 -0.00 0.00 0.00 39.48 39.54 3hdx n PHE 122 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.76 174.85 3hdx n GLU 124 N 0.70 0.00 -0.12 -4.13 2.13 -0.71 -0.83 120.64 117.68 3hdx n GLU 124 Ca 0.00 0.00 -0.15 0.00 0.66 0.00 0.00 57.16 57.67 3hdx n GLU 124 Cb 0.00 0.00 -0.14 0.00 0.27 0.00 0.00 31.44 31.57 3hdx n GLU 124 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 3hdx n LYS 125 N 0.00 0.67 0.02 5.31 4.76 0.04 -4.58 118.16 124.38 3hdx n LYS 125 Ca 0.00 0.09 0.06 0.00 -2.87 0.00 0.00 58.31 55.59 3hdx n LYS 125 Cb 0.00 -1.52 0.47 0.00 -1.84 0.00 0.00 35.03 32.14 3hdx n LYS 125 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3hdx h ALA 126 N 0.38 1.80 -0.55 7.82 0.00 -1.19 -2.89 119.26 124.65 3hdx h ALA 126 Ca -0.57 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 54.42 3hdx h ALA 126 Cb 2.03 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 19.66 3hdx h ALA 126 CO -0.04 0.16 0.37 -1.35 0.00 0.00 0.00 179.25 178.39 3hdx h PRO 127 N 0.45 0.31 -0.50 0.00 0.11 -1.81 -0.68 132.00 129.89 3hdx h PRO 127 Ca 0.15 -0.02 0.05 0.00 0.11 0.00 0.00 66.00 66.29 3hdx h PRO 127 Cb 0.04 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 31.06 3hdx h PRO 127 CO -0.03 0.21 0.33 -0.09 -0.21 0.00 0.00 178.00 178.20 3hdx h ARG 128 N 0.32 0.47 -0.40 1.05 9.65 -1.82 -2.69 114.38 120.96 3hdx h ARG 128 Ca 0.25 -0.03 0.04 0.00 -1.10 0.00 0.00 59.98 59.15 3hdx h ARG 128 Cb 0.57 -0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 29.02 3hdx h ARG 128 CO -0.06 0.31 0.27 1.15 2.80 0.00 0.00 179.97 184.44 3hdx h THR 129 N 0.48 0.99 -0.93 0.20 2.02 -1.24 -1.07 112.91 113.36 3hdx h THR 129 Ca 0.21 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.27 3hdx h THR 129 Cb 0.23 0.59 -0.05 0.00 -1.74 0.00 0.00 68.15 67.19 3hdx h THR 129 CO -0.05 0.07 0.59 0.58 0.37 0.00 0.00 175.52 177.07 3hdx h VAL 130 N 0.37 1.25 -0.02 3.16 2.07 -1.60 0.88 116.25 122.36 3hdx h VAL 130 Ca 0.17 -0.50 -0.15 0.00 0.82 0.00 0.00 66.70 67.04 3hdx h VAL 130 Cb 0.22 -0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 29.88 3hdx h VAL 130 CO -0.04 0.25 -0.69 -0.33 0.02 0.00 0.00 177.57 176.78 3hdx h GLU 131 N 1.27 0.10 0.00 1.57 5.08 -1.36 -3.34 114.58 117.90 3hdx h GLU 131 Ca 0.34 -0.09 -0.17 0.00 -1.00 0.00 0.00 59.36 58.44 3hdx h GLU 131 Cb -0.10 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 3hdx h GLU 131 CO -0.07 0.75 -1.28 -0.07 -1.00 0.00 0.00 179.01 177.34 3hdx h LEU 132 N 0.07 0.00 -7.26 1.33 3.38 -0.77 -3.45 115.31 108.61 3hdx h LEU 132 Ca -0.01 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.44 3hdx h LEU 132 Cb 1.22 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.57 3hdx h LEU 132 CO 0.10 0.63 -0.76 -0.62 0.09 0.00 0.00 178.44 177.88 3hdx s ASP 133 N -5.97 2.96 0.43 -0.43 -1.08 0.25 -4.95 116.67 107.88 3hdx s ASP 133 Ca -0.02 -0.85 0.29 0.00 -0.52 0.00 0.00 52.55 51.45 3hdx s ASP 133 Cb 0.08 -0.60 1.53 0.00 -1.46 0.00 0.00 42.92 42.47 3hdx s ASP 133 CO 0.80 -0.31 1.89 0.08 0.52 0.00 0.00 175.17 178.16 3hdx h ARG 134 N 8.24 0.00 0.00 4.34 0.11 -1.84 -1.06 114.38 124.16 3hdx h ARG 134 Ca -0.16 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.92 3hdx h ARG 134 Cb 1.12 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.20 3hdx h ARG 134 CO 0.34 0.00 0.00 0.43 0.10 0.00 0.00 179.97 180.84 3hdx n SER 135 N -2.55 0.05 -4.27 0.08 7.64 -1.26 -4.63 113.62 108.69 3hdx n SER 135 Ca -0.01 0.51 -0.41 0.00 1.01 0.00 0.00 58.87 59.96 3hdx n SER 135 Cb 0.09 -0.52 -0.09 0.00 -1.01 0.00 0.00 64.21 62.68 3hdx n SER 135 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 3hdx s TYR 136 N -3.01 3.35 0.62 1.43 5.04 -0.40 -4.99 117.35 119.39 3hdx s TYR 136 Ca 0.13 -1.56 -0.08 0.00 -2.44 0.00 0.00 57.07 53.11 3hdx s TYR 136 Cb 0.17 -3.24 0.00 0.00 0.35 0.00 0.00 41.96 39.24 3hdx s TYR 136 CO 0.49 -0.91 0.98 -1.54 -1.34 0.00 0.00 175.55 173.23 3hdx s SER 137 N 2.49 5.68 0.30 4.32 1.04 -1.26 -4.45 113.70 121.82 3hdx s SER 137 Ca 0.04 0.97 -0.01 0.00 0.48 0.00 0.00 55.95 57.43 3hdx s SER 137 Cb -0.25 -1.93 0.46 0.00 0.10 0.00 0.00 66.02 64.40 3hdx s SER 137 CO 0.02 -1.09 1.96 -0.33 0.98 0.00 0.00 173.24 174.78 3hdx h GLU 138 N -0.32 1.07 -0.49 4.02 4.39 -1.97 -1.04 114.58 120.23 3hdx h GLU 138 Ca -0.45 -0.06 0.01 0.00 0.34 0.00 0.00 59.36 59.19 3hdx h GLU 138 Cb 1.24 -0.24 -0.03 0.00 -0.10 0.00 0.00 28.75 29.62 3hdx h GLU 138 CO 0.62 0.71 0.31 0.37 -1.16 0.00 0.00 179.01 179.86 3hdx h GLN 139 N 1.10 0.62 -0.69 2.33 4.15 -1.99 -0.85 115.11 119.77 3hdx h GLN 139 Ca 0.32 -0.04 -0.03 0.00 0.77 0.00 0.00 58.65 59.67 3hdx h GLN 139 Cb -0.07 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 27.45 3hdx h GLN 139 CO -0.08 0.41 0.32 -0.97 -1.93 0.00 0.00 178.83 176.58 3hdx h ASN 140 N 0.63 0.91 -0.24 -0.69 -0.00 -1.74 -0.65 115.58 113.81 3hdx h ASN 140 Ca 0.18 -0.14 0.00 0.00 -0.00 0.00 0.00 56.30 56.34 3hdx h ASN 140 Cb -0.05 -0.23 -0.01 0.00 -0.00 0.00 0.00 38.32 38.03 3hdx h ASN 140 CO -0.05 0.80 0.15 0.25 -0.00 0.00 0.00 177.43 178.57 3hdx h LEU 141 N 0.96 0.28 -0.75 0.34 5.85 -0.91 -1.50 115.31 119.58 3hdx h LEU 141 Ca 0.23 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.95 3hdx h LEU 141 Cb 0.14 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.06 3hdx h LEU 141 CO -0.03 0.21 0.49 0.11 -0.34 0.00 0.00 178.44 178.89 3hdx h LYS 142 N 0.31 0.96 -0.29 1.25 1.57 -0.66 0.69 116.57 120.40 3hdx h LYS 142 Ca 0.09 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 3hdx h LYS 142 Cb -0.02 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.06 3hdx h LYS 142 CO -0.02 0.63 0.16 1.88 -0.57 0.00 0.00 179.45 181.53 3hdx h TYR 143 N 0.98 0.41 -0.32 -1.35 0.05 -0.97 -1.56 116.97 114.21 3hdx h TYR 143 Ca 0.29 -0.01 -0.06 0.00 0.05 0.00 0.00 58.73 59.00 3hdx h TYR 143 Cb -0.06 -0.13 -0.01 0.00 1.01 0.00 0.00 36.73 37.54 3hdx h TYR 143 CO -0.03 0.35 -0.03 -0.44 -1.05 0.00 0.00 178.16 176.96 3hdx h ASP 144 N 0.35 0.57 -0.66 3.88 3.32 -0.76 -2.12 116.42 121.01 3hdx h ASP 144 Ca 0.10 -0.33 -0.02 0.00 0.02 0.00 0.00 57.03 56.80 3hdx h ASP 144 Cb 0.08 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.44 3hdx h ASP 144 CO -0.02 0.77 0.33 0.40 -1.72 0.00 0.00 179.24 179.00 3hdx h ILE 145 N 0.37 1.22 -0.93 0.35 2.04 -0.86 -1.66 117.51 118.03 3hdx h ILE 145 Ca 0.09 -0.60 -0.01 0.00 1.00 0.00 0.00 64.86 65.34 3hdx h ILE 145 Cb 0.49 0.40 -0.04 0.00 -0.74 0.00 0.00 36.82 36.93 3hdx h ILE 145 CO 0.02 0.25 0.54 0.00 0.00 0.00 0.00 178.15 178.96 3hdx h ALA 146 N 1.15 1.19 0.11 1.87 0.00 -1.10 0.22 119.26 122.70 3hdx h ALA 146 Ca 0.23 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3hdx h ALA 146 Cb 0.10 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.51 3hdx h ALA 146 CO -0.03 0.67 -0.05 1.96 0.00 0.00 0.00 179.25 181.80 3hdx h GLN 147 N 1.30 -0.14 -0.40 0.00 4.20 -1.07 -0.86 115.11 118.13 3hdx h GLN 147 Ca 0.33 0.01 -0.09 0.00 0.06 0.00 0.00 58.65 58.96 3hdx h GLN 147 Cb -0.02 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 3hdx h GLN 147 CO -0.06 0.04 -0.11 -0.39 -0.67 0.00 0.00 178.83 177.65 3hdx h VAL 148 N -0.31 1.25 -0.40 -0.54 -1.51 -1.10 0.19 116.25 113.83 3hdx h VAL 148 Ca -0.02 -1.13 0.00 0.00 -1.23 0.00 0.00 66.70 64.33 3hdx h VAL 148 Cb 0.25 1.06 -0.02 0.00 -2.13 0.00 0.00 31.29 30.45 3hdx h VAL 148 CO 0.02 0.38 0.26 -0.09 -1.23 0.00 0.00 177.57 176.91 3hdx h ARG 149 N 0.65 0.54 -0.61 5.19 2.43 -0.89 -0.59 114.38 121.09 3hdx h ARG 149 Ca 0.11 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.15 3hdx h ARG 149 Cb 0.56 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.97 3hdx h ARG 149 CO 0.03 0.37 0.01 0.00 -1.51 0.00 0.00 179.97 178.88 3hdx h ALA 150 N 1.13 0.87 -0.63 2.80 0.00 -0.73 -1.75 119.26 120.95 3hdx h ALA 150 Ca 0.15 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 3hdx h ALA 150 Cb -0.04 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 3hdx h ALA 150 CO -0.03 0.67 0.22 -0.07 0.00 0.00 0.00 179.25 180.04 3hdx h LEU 151 N 0.97 0.89 -0.39 0.00 3.38 -0.70 0.10 115.31 119.56 3hdx h LEU 151 Ca 0.17 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3hdx h LEU 151 Cb 0.54 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 3hdx h LEU 151 CO 0.03 0.84 0.25 -0.09 0.09 0.00 0.00 178.44 179.57 3hdx h ARG 152 N 0.89 0.52 -0.74 1.13 2.43 -0.99 -0.35 114.38 117.26 3hdx h ARG 152 Ca 0.21 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.31 3hdx h ARG 152 Cb 0.25 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.65 3hdx h ARG 152 CO -0.01 0.35 0.35 0.00 -1.51 0.00 0.00 179.97 179.15 3hdx h ALA 153 N 1.14 0.96 -0.36 2.80 0.00 -1.02 -1.38 119.26 121.40 3hdx h ALA 153 Ca 0.14 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3hdx h ALA 153 Cb -0.05 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 3hdx h ALA 153 CO -0.03 0.53 0.24 0.35 0.00 0.00 0.00 179.25 180.34 3hdx h PHE 154 N 1.05 0.46 -0.80 0.00 3.57 -0.62 -1.31 116.94 119.29 3hdx h PHE 154 Ca 0.25 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.82 3hdx h PHE 154 Cb 0.13 -0.15 -0.06 0.00 2.79 0.00 0.00 35.95 38.66 3hdx h PHE 154 CO 0.01 0.29 0.49 0.00 -2.23 0.00 0.00 178.31 176.88 3hdx h ALA 155 N 1.13 1.09 -0.07 2.41 0.00 -0.72 0.84 119.26 123.93 3hdx h ALA 155 Ca 0.13 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3hdx h ALA 155 Cb -0.05 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 3hdx h ALA 155 CO -0.03 0.24 0.04 1.88 0.00 0.00 0.00 179.25 181.38 3hdx h TYR 156 N 0.91 0.10 -0.25 0.00 0.05 -0.91 -2.93 116.97 113.95 3hdx h TYR 156 Ca 0.34 -0.00 0.04 0.00 0.05 0.00 0.00 58.73 59.16 3hdx h TYR 156 Cb 0.14 -0.03 -0.04 0.00 1.01 0.00 0.00 36.73 37.81 3hdx h TYR 156 CO -0.04 0.14 0.02 0.35 -1.05 0.00 0.00 178.16 177.58 3hdx h PHE 157 N 0.02 0.03 0.00 4.88 3.57 -0.81 -0.93 116.94 123.70 3hdx h PHE 157 Ca 0.02 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.54 3hdx h PHE 157 Cb 0.08 0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.84 3hdx h PHE 157 CO -0.05 -0.01 0.00 0.98 -2.23 0.00 0.00 178.31 177.00 3hdx n TYR 158 N -5.12 0.00 0.00 0.41 4.19 0.25 -1.82 117.16 115.07 3hdx n TYR 158 Ca -0.01 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.20 3hdx n TYR 158 Cb 0.12 0.00 0.00 0.00 0.49 0.00 0.00 39.34 39.95 3hdx n TYR 158 CO 0.00 0.00 0.00 0.28 0.91 0.00 0.00 176.86 178.05 3hdx n VAL 160 N 0.42 0.00 0.15 2.97 0.31 -0.35 -3.01 118.33 118.82 3hdx n VAL 160 Ca 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 64.34 64.35 3hdx n VAL 160 Cb 0.00 0.00 0.37 0.00 -0.91 0.00 0.00 33.84 33.30 3hdx n VAL 160 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 3hdx h ARG 161 N 0.00 0.14 0.00 5.55 3.08 -1.62 0.95 114.38 122.48 3hdx h ARG 161 Ca 0.00 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 3hdx h ARG 161 Cb 0.00 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.03 3hdx h ARG 161 CO 0.00 0.39 -0.09 0.82 -1.07 0.00 0.00 179.97 180.02 3hdx h ILE 162 N 0.13 1.54 0.00 2.04 2.04 -1.82 -3.42 117.51 118.01 3hdx h ILE 162 Ca 0.02 -2.19 0.00 0.00 1.00 0.00 0.00 64.86 63.69 3hdx h ILE 162 Cb 0.53 2.94 0.00 0.00 -0.74 0.00 0.00 36.82 39.54 3hdx h ILE 162 CO 0.04 0.52 -1.22 0.79 0.00 0.00 0.00 178.15 178.27 3hdx n TRP 163 N -4.62 0.00 0.00 1.37 8.01 -1.24 -0.47 117.44 120.50 3hdx n TRP 163 Ca -0.10 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.09 3hdx n TRP 163 Cb 0.44 -0.19 0.00 0.00 -2.01 0.00 0.00 31.31 29.56 3hdx n TRP 163 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3hdx n GLY 164 N 1.56 2.07 3.75 6.99 0.00 0.33 -4.74 105.19 115.14 3hdx n GLY 164 Ca -0.00 -0.51 -0.41 0.00 0.00 0.00 0.00 46.02 45.10 3hdx n GLY 164 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hdx s ASP 165 N -4.00 6.61 0.01 1.61 1.01 -1.26 -4.44 116.67 116.22 3hdx s ASP 165 Ca 0.00 2.74 -0.07 0.00 0.71 0.00 0.00 52.55 55.94 3hdx s ASP 165 Cb 0.00 -2.63 -0.00 0.00 1.01 0.00 0.00 42.92 41.29 3hdx s ASP 165 CO 0.00 -0.72 0.12 0.68 0.21 0.00 0.00 175.17 175.47 3hdx s VAL 166 N -0.31 0.10 0.12 -1.27 -7.23 -0.95 -4.77 120.40 106.09 3hdx s VAL 166 Ca 0.57 -0.81 -0.31 0.00 -1.81 0.00 0.00 61.98 59.62 3hdx s VAL 166 Cb -0.43 -0.56 -0.10 0.00 0.56 0.00 0.00 36.38 35.85 3hdx s VAL 166 CO 0.47 -0.44 1.71 -2.84 -0.31 0.00 0.00 175.10 173.69 3hdx s PRO 167 N -1.75 4.17 -0.69 4.82 0.02 -1.26 -1.01 135.00 139.29 3hdx s PRO 167 Ca -0.12 2.46 -0.22 0.00 0.02 0.00 0.00 61.00 63.14 3hdx s PRO 167 Cb -0.06 -3.45 0.08 0.00 0.02 0.00 0.00 34.50 31.09 3hdx s PRO 167 CO -0.00 -0.75 0.97 -1.17 -0.33 0.00 0.00 177.00 175.72 3hdx s LEU 168 N 2.22 4.52 -0.25 -5.54 2.96 -1.26 -4.85 118.68 116.49 3hdx s LEU 168 Ca 0.76 -1.16 -0.09 0.00 -0.22 0.00 0.00 54.13 53.41 3hdx s LEU 168 Cb -0.44 -2.41 -0.04 0.00 0.50 0.00 0.00 46.19 43.80 3hdx s LEU 168 CO 0.33 -1.38 0.14 -0.69 -1.32 0.00 0.00 176.35 173.44 3hdx s VAL 169 N 3.81 4.98 -0.41 1.68 1.01 -1.26 -4.99 120.40 125.22 3hdx s VAL 169 Ca 0.23 0.05 0.06 0.00 0.00 0.00 0.00 61.98 62.32 3hdx s VAL 169 Cb -0.16 -3.34 0.15 0.00 0.00 0.00 0.00 36.38 33.04 3hdx s VAL 169 CO 0.07 0.32 1.13 0.35 0.00 0.00 0.00 175.10 176.96 3hdx n THR 170 N 4.72 1.06 -3.94 3.92 -2.24 -1.26 -5.02 114.28 111.52 3hdx n THR 170 Ca -0.15 -1.06 -0.08 0.00 -2.27 0.00 0.00 64.05 60.49 3hdx n THR 170 Cb 0.52 0.46 -0.08 0.00 -2.10 0.00 0.00 70.33 69.13 3hdx n THR 170 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 3hdx s TYR 171 N -1.10 0.29 0.54 4.78 1.13 -1.26 -5.04 117.35 116.69 3hdx s TYR 171 Ca 0.12 -0.75 -0.16 0.00 -1.41 0.00 0.00 57.07 54.87 3hdx s TYR 171 Cb 0.07 -0.17 -0.07 0.00 -1.10 0.00 0.00 41.96 40.70 3hdx s TYR 171 CO 0.07 -0.51 1.01 -1.54 -2.51 0.00 0.00 175.55 172.07 3hdx s SER 172 N -2.89 6.35 0.15 -0.18 1.04 -1.26 -4.94 113.70 111.97 3hdx s SER 172 Ca 0.07 1.65 -0.05 0.00 0.48 0.00 0.00 55.95 58.10 3hdx s SER 172 Cb 0.06 -2.52 -0.02 0.00 0.10 0.00 0.00 66.02 63.64 3hdx s SER 172 CO -0.10 -0.77 0.19 -0.72 0.98 0.00 0.00 173.24 172.81 3hdx s TYR 173 N -2.57 0.61 0.26 5.02 1.13 -1.26 -5.07 117.35 115.47 3hdx s TYR 173 Ca 0.60 -0.97 -0.30 0.00 -1.41 0.00 0.00 57.07 54.99 3hdx s TYR 173 Cb -0.12 -0.24 -0.09 0.00 -1.10 0.00 0.00 41.96 40.41 3hdx s TYR 173 CO 0.33 -0.63 1.09 -0.51 -2.51 0.00 0.00 175.55 173.32 3hdx s ASP 174 N -3.01 7.29 0.37 -0.18 1.01 -1.26 -5.01 116.67 115.88 3hdx s ASP 174 Ca 0.20 2.22 -0.27 0.00 0.71 0.00 0.00 52.55 55.41 3hdx s ASP 174 Cb 0.05 -2.62 -0.11 0.00 1.01 0.00 0.00 42.92 41.25 3hdx s ASP 174 CO 0.01 -0.14 1.37 0.59 0.21 0.00 0.00 175.17 177.21 3hdx n ASN 175 N 1.43 3.15 0.00 0.27 3.02 -1.26 -1.72 115.26 120.15 3hdx n ASN 175 Ca -0.00 1.20 0.00 0.00 -0.03 0.00 0.00 54.58 55.74 3hdx n ASN 175 Cb 0.45 -1.54 0.00 0.00 -0.61 0.00 0.00 39.78 38.08 3hdx n ASN 175 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hdx n GLY 176 N 0.64 1.32 3.43 7.41 0.00 -1.26 -5.02 105.19 111.72 3hdx n GLY 176 Ca 0.04 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.84 3hdx n GLY 176 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hdx s THR 177 N -2.56 1.82 -0.08 2.61 -4.23 -0.70 -5.16 115.64 107.36 3hdx s THR 177 Ca 0.00 -2.18 -0.07 0.00 -1.18 0.00 0.00 61.69 58.26 3hdx s THR 177 Cb 0.00 -2.39 0.02 0.00 1.34 0.00 0.00 72.50 71.48 3hdx s THR 177 CO 0.00 -0.35 0.20 0.12 -0.54 0.00 0.00 174.62 174.05 3hdx s PHE 178 N -2.90 -0.22 0.33 3.99 5.36 -1.26 -4.77 117.98 118.51 3hdx s PHE 178 Ca 0.29 0.54 -0.28 0.00 -0.96 0.00 0.00 56.93 56.52 3hdx s PHE 178 Cb 0.02 0.07 -0.13 0.00 -0.34 0.00 0.00 43.02 42.64 3hdx s PHE 178 CO 0.12 -0.11 1.25 -2.30 -1.46 0.00 0.00 175.22 172.71 3hdx n PRO 179 N 3.07 1.99 -2.68 10.12 -0.02 -1.26 -5.09 135.00 141.13 3hdx n PRO 179 Ca -0.14 0.70 -0.43 0.00 -2.02 0.00 0.00 63.50 61.61 3hdx n PRO 179 Cb 0.58 -2.25 -0.03 0.00 -0.02 0.00 0.00 33.50 31.79 3hdx n PRO 179 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3hdx s SER 180 N -0.32 6.74 0.51 2.55 0.01 -1.26 -5.09 113.70 116.84 3hdx s SER 180 Ca 0.57 0.68 0.08 0.00 1.31 0.00 0.00 55.95 58.59 3hdx s SER 180 Cb -0.60 -2.52 0.05 0.00 0.21 0.00 0.00 66.02 63.17 3hdx s SER 180 CO 0.61 -1.01 0.70 -2.16 0.41 0.00 0.00 173.24 171.79 3hdx s PRO 182 N 3.88 2.52 0.34 12.44 0.04 -1.26 -5.07 135.00 147.89 3hdx s PRO 182 Ca 0.44 -1.42 -0.29 0.00 0.04 0.00 0.00 61.00 59.77 3hdx s PRO 182 Cb -0.10 -2.68 -0.11 0.00 0.04 0.00 0.00 34.50 31.65 3hdx s PRO 182 CO 0.22 -0.61 1.43 1.03 0.04 0.00 0.00 177.00 179.11 3hdx s ARG 183 N -4.55 4.21 -0.01 4.56 0.52 -1.26 -4.25 118.95 118.17 3hdx s ARG 183 Ca 0.59 2.42 -0.09 0.00 -0.52 0.00 0.00 55.73 58.13 3hdx s ARG 183 Cb -0.08 -3.03 -0.05 0.00 0.52 0.00 0.00 34.95 32.32 3hdx s ARG 183 CO 0.36 -0.41 0.29 0.99 0.02 0.00 0.00 175.30 176.55 3hdx s THR 184 N -0.89 5.26 0.10 0.02 2.01 -0.18 -4.82 115.64 117.14 3hdx s THR 184 Ca 0.53 0.37 -0.36 0.00 0.31 0.00 0.00 61.69 62.54 3hdx s THR 184 Cb -0.44 -3.57 -0.17 0.00 0.01 0.00 0.00 72.50 68.33 3hdx s THR 184 CO 0.56 0.46 1.29 0.47 -0.69 0.00 0.00 174.62 176.71 3hdx n ASP 185 N 1.44 1.52 -0.32 3.53 8.00 -1.26 -2.25 116.55 127.20 3hdx n ASP 185 Ca -0.13 1.12 0.08 0.00 0.71 0.00 0.00 54.79 56.57 3hdx n ASP 185 Cb 0.53 -1.19 0.24 0.00 -0.02 0.00 0.00 41.12 40.69 3hdx n ASP 185 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hdx h ALA 186 N 4.25 1.40 -0.58 2.24 0.00 -1.91 -0.97 119.26 123.68 3hdx h ALA 186 Ca -0.47 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.46 3hdx h ALA 186 Cb 1.34 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 3hdx h ALA 186 CO 0.76 0.02 0.20 1.96 0.00 0.00 0.00 179.25 182.19 3hdx h GLN 187 N 0.76 0.87 -0.67 0.00 1.08 -1.95 -0.30 115.11 114.90 3hdx h GLN 187 Ca 0.49 -0.15 -0.05 0.00 -1.45 0.00 0.00 58.65 57.48 3hdx h GLN 187 Cb 0.63 -0.14 -0.03 0.00 -0.05 0.00 0.00 27.48 27.88 3hdx h GLN 187 CO -0.33 0.73 0.20 1.15 -0.95 0.00 0.00 178.83 179.64 3hdx h THR 188 N 0.85 1.25 -0.42 -0.54 2.02 -1.56 -0.12 112.91 114.38 3hdx h THR 188 Ca 0.20 -0.88 -0.05 0.00 0.77 0.00 0.00 66.41 66.45 3hdx h THR 188 Cb 0.21 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 67.17 3hdx h THR 188 CO -0.01 0.34 0.08 0.58 0.37 0.00 0.00 175.52 176.87 3hdx h VAL 189 N 0.97 1.24 -0.34 3.16 2.07 -0.86 -1.87 116.25 120.61 3hdx h VAL 189 Ca 0.21 -0.86 -0.10 0.00 0.82 0.00 0.00 66.70 66.78 3hdx h VAL 189 Cb 0.31 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 3hdx h VAL 189 CO -0.01 0.30 -0.19 -0.07 0.02 0.00 0.00 177.57 177.63 3hdx h LEU 190 N 0.55 0.64 -1.04 2.57 3.38 -0.85 -0.25 115.31 120.30 3hdx h LEU 190 Ca 0.13 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 3hdx h LEU 190 Cb 0.36 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 3hdx h LEU 190 CO 0.01 0.83 0.20 0.28 0.09 0.00 0.00 178.44 179.84 3hdx h SER 191 N 0.57 0.82 -0.12 -0.43 0.02 -0.81 0.51 113.55 114.10 3hdx h SER 191 Ca 0.09 -0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 60.91 3hdx h SER 191 Cb 0.64 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.96 3hdx h SER 191 CO 0.05 0.76 0.05 0.22 -1.14 0.00 0.00 176.83 176.77 3hdx h TYR 192 N 0.87 0.19 -0.79 3.45 3.20 -0.89 -2.27 116.97 120.73 3hdx h TYR 192 Ca 0.20 -0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.08 3hdx h TYR 192 Cb 0.23 -0.06 -0.05 0.00 1.54 0.00 0.00 36.73 38.40 3hdx h TYR 192 CO 0.02 0.29 0.51 0.00 -1.64 0.00 0.00 178.16 177.33 3hdx h ALA 193 N 0.88 1.03 -0.38 1.82 0.00 -0.61 -0.23 119.26 121.78 3hdx h ALA 193 Ca 0.04 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3hdx h ALA 193 Cb 0.18 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3hdx h ALA 193 CO -0.00 0.35 0.13 0.87 0.00 0.00 0.00 179.25 180.59 3hdx h LYS 194 N 1.01 0.58 -0.57 0.00 1.57 -0.85 -0.77 116.57 117.53 3hdx h LYS 194 Ca 0.31 -0.12 -0.09 0.00 -1.87 0.00 0.00 60.65 58.88 3hdx h LYS 194 Cb -0.03 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 3hdx h LYS 194 CO -0.10 0.57 -0.01 0.00 -0.57 0.00 0.00 179.45 179.35 3hdx h ALA 195 N 0.98 0.90 -0.67 3.86 0.00 -1.02 -1.05 119.26 122.26 3hdx h ALA 195 Ca 0.12 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 3hdx h ALA 195 Cb 0.23 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3hdx h ALA 195 CO -0.01 0.65 0.22 0.93 0.00 0.00 0.00 179.25 181.04 3hdx h GLU 196 N 0.91 1.03 -0.38 0.00 4.39 -0.85 -1.42 114.58 118.27 3hdx h GLU 196 Ca 0.16 -0.22 -0.07 0.00 0.34 0.00 0.00 59.36 59.58 3hdx h GLU 196 Cb 0.54 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 3hdx h GLU 196 CO 0.03 0.89 -0.03 -0.07 -1.16 0.00 0.00 179.01 178.66 3hdx h LEU 197 N 0.96 0.69 -1.03 1.33 3.38 -0.80 0.10 115.31 119.93 3hdx h LEU 197 Ca 0.22 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 3hdx h LEU 197 Cb 0.28 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 3hdx h LEU 197 CO -0.01 0.85 0.49 -0.07 0.09 0.00 0.00 178.44 179.79 3hdx h LEU 198 N 0.51 1.03 -0.33 1.67 3.38 -1.06 -0.01 115.31 120.49 3hdx h LEU 198 Ca 0.10 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 3hdx h LEU 198 Cb 0.52 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3hdx h LEU 198 CO 0.03 0.81 0.07 0.74 0.09 0.00 0.00 178.44 180.18 3hdx h THR 199 N 1.17 1.23 -0.94 0.22 2.02 -1.06 -3.07 112.91 112.48 3hdx h THR 199 Ca 0.30 -0.77 0.01 0.00 0.77 0.00 0.00 66.41 66.72 3hdx h THR 199 Cb -0.01 1.09 -0.05 0.00 -1.74 0.00 0.00 68.15 67.45 3hdx h THR 199 CO -0.05 0.26 0.61 0.00 0.37 0.00 0.00 175.52 176.71 3hdx h ALA 200 N 0.91 1.31 -0.46 6.16 0.00 -0.45 -2.23 119.26 124.51 3hdx h ALA 200 Ca 0.10 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.01 3hdx h ALA 200 Cb 0.32 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3hdx h ALA 200 CO 0.00 0.63 0.31 0.82 0.00 0.00 0.00 179.25 181.01 3hdx h ILE 201 N 1.28 0.93 -0.75 0.00 2.04 -0.92 -0.68 117.51 119.40 3hdx h ILE 201 Ca 0.34 -0.11 0.13 0.00 1.00 0.00 0.00 64.86 66.22 3hdx h ILE 201 Cb -0.13 0.59 -0.05 0.00 -0.74 0.00 0.00 36.82 36.48 3hdx h ILE 201 CO -0.07 0.06 0.50 -0.33 0.00 0.00 0.00 178.15 178.30 3hdx h GLU 202 N 0.31 0.50 0.00 2.37 5.08 -1.39 -3.17 114.58 118.28 3hdx h GLU 202 Ca 0.21 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 3hdx h GLU 202 Cb 0.41 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.54 3hdx h GLU 202 CO -0.05 0.33 -0.57 -0.25 -1.00 0.00 0.00 179.01 177.48 3hdx n ASP 203 N -4.49 0.74 -4.68 1.42 8.00 -0.40 -4.98 116.55 112.15 3hdx n ASP 203 Ca 0.14 -0.63 -0.42 0.00 0.71 0.00 0.00 54.79 54.58 3hdx n ASP 203 Cb 0.45 1.06 -0.03 0.00 -0.02 0.00 0.00 41.12 42.58 3hdx n ASP 203 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3hdx s LEU 204 N -2.59 4.24 0.72 0.64 1.43 -0.42 -4.57 118.68 118.13 3hdx s LEU 204 Ca 0.03 1.61 -0.09 0.00 -1.03 0.00 0.00 54.13 54.64 3hdx s LEU 204 Cb 0.07 -3.55 0.05 0.00 0.03 0.00 0.00 46.19 42.79 3hdx s LEU 204 CO 0.38 -0.52 1.07 -2.16 0.23 0.00 0.00 176.35 175.36 3hdx s PRO 205 N 2.22 2.33 0.03 1.29 0.04 -1.26 -4.30 135.00 135.35 3hdx s PRO 205 Ca 0.50 0.03 -0.21 0.00 0.04 0.00 0.00 61.00 61.37 3hdx s PRO 205 Cb -0.20 -2.08 -0.16 0.00 0.04 0.00 0.00 34.50 32.10 3hdx s PRO 205 CO 0.18 -1.25 1.31 1.88 0.04 0.00 0.00 177.00 179.16 3hdx h TYR 206 N -0.71 0.39 -3.82 0.56 0.05 -1.95 -0.54 116.97 110.96 3hdx h TYR 206 Ca -0.45 -0.12 -0.34 0.00 0.05 0.00 0.00 58.73 57.86 3hdx h TYR 206 Cb 1.30 -0.08 -0.19 0.00 1.01 0.00 0.00 36.73 38.77 3hdx h TYR 206 CO 0.37 0.75 -0.75 -0.65 -1.05 0.00 0.00 178.16 176.84 3hdx s GLN 207 N -4.20 0.79 -0.23 4.88 -0.21 -1.26 -4.64 119.66 114.79 3hdx s GLN 207 Ca -0.14 -1.04 -0.08 0.00 0.02 0.00 0.00 55.36 54.12 3hdx s GLN 207 Cb 0.05 -0.59 -0.04 0.00 1.00 0.00 0.00 33.01 33.43 3hdx s GLN 207 CO 0.75 0.11 0.08 0.71 -2.12 0.00 0.00 175.29 174.82 3hdx s TYR 208 N -1.95 3.16 0.02 0.91 1.51 -1.26 -4.93 117.35 114.81 3hdx s TYR 208 Ca 0.01 -0.16 0.00 0.00 -1.01 0.00 0.00 57.07 55.91 3hdx s TYR 208 Cb -0.06 -2.19 0.00 0.00 -0.11 0.00 0.00 41.96 39.60 3hdx s TYR 208 CO 0.01 -0.13 0.00 0.41 -1.11 0.00 0.00 175.55 174.73 3hdx n GLY 209 N 4.39 -2.13 3.37 0.71 0.00 -1.26 -1.03 105.19 109.23 3hdx n GLY 209 Ca -0.16 -1.47 -0.19 0.00 0.00 0.00 0.00 46.02 44.20 3hdx n GLY 209 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hdx s THR 210 N -2.29 0.68 0.44 2.61 -4.23 -0.36 -3.81 115.64 108.68 3hdx s THR 210 Ca 0.00 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 58.63 3hdx s THR 210 Cb 0.00 -2.63 0.21 0.00 1.34 0.00 0.00 72.50 71.42 3hdx s THR 210 CO 0.00 0.00 2.02 -0.61 -0.54 0.00 0.00 174.62 175.49 3hdx h GLN 211 N 2.23 0.14 0.00 3.99 4.15 -1.96 -2.49 115.11 121.17 3hdx h GLN 211 Ca -0.38 -0.02 -0.03 0.00 0.77 0.00 0.00 58.65 58.99 3hdx h GLN 211 Cb 1.25 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.91 3hdx h GLN 211 CO 0.61 0.22 -0.98 1.79 -1.93 0.00 0.00 178.83 178.55 3hdx h THR 212 N 0.14 0.10 -2.53 2.39 1.35 -2.01 -3.41 112.91 108.93 3hdx h THR 212 Ca 0.03 -1.20 -0.59 0.00 -0.55 0.00 0.00 66.41 64.10 3hdx h THR 212 Cb 0.21 1.65 -0.39 0.00 -1.73 0.00 0.00 68.15 67.90 3hdx h THR 212 CO 0.01 0.06 -0.89 0.20 -0.25 0.00 0.00 175.52 174.65 3hdx s ASN 213 N -5.53 2.26 0.62 5.36 0.01 -0.95 -5.12 114.94 111.59 3hdx s ASN 213 Ca -0.00 -2.95 -0.18 0.00 -0.71 0.00 0.00 52.86 49.02 3hdx s ASN 213 Cb 0.09 -0.60 -0.02 0.00 0.41 0.00 0.00 41.25 41.12 3hdx s ASN 213 CO 0.78 -0.20 1.21 -0.76 -1.51 0.00 0.00 177.10 176.63 3hdx s LEU 214 N 0.12 3.60 -0.36 0.60 1.43 -1.11 -1.23 118.68 121.73 3hdx s LEU 214 Ca 0.28 2.38 -0.09 0.00 -1.03 0.00 0.00 54.13 55.67 3hdx s LEU 214 Cb -0.05 -4.60 0.03 0.00 0.03 0.00 0.00 46.19 41.61 3hdx s LEU 214 CO -0.14 -1.71 0.16 -0.47 0.23 0.00 0.00 176.35 174.42 3hdx s TYR 215 N -1.67 3.24 -1.56 0.29 5.04 0.23 -4.58 117.35 118.34 3hdx s TYR 215 Ca 0.77 -1.12 -0.05 0.00 -2.44 0.00 0.00 57.07 54.22 3hdx s TYR 215 Cb -0.30 -2.37 0.05 0.00 0.35 0.00 0.00 41.96 39.69 3hdx s TYR 215 CO 0.36 -0.67 0.32 0.66 -1.34 0.00 0.00 175.55 174.88 3hdx n TYR 216 N 4.92 -1.45 -0.28 4.97 4.01 -1.26 -2.01 117.16 126.06 3hdx n TYR 216 Ca -0.12 0.69 0.00 0.00 -0.16 0.00 0.00 57.90 58.31 3hdx n TYR 216 Cb 0.46 -3.05 0.00 0.00 -0.31 0.00 0.00 39.34 36.44 3hdx n TYR 216 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hdx n GLY 217 N -2.04 1.76 3.26 2.72 0.00 -1.26 -5.01 105.19 104.61 3hdx n GLY 217 Ca -0.22 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.66 3hdx n GLY 217 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hdx s SER 218 N -3.33 0.69 0.17 1.61 0.01 -0.85 -5.03 113.70 106.97 3hdx s SER 218 Ca 0.00 -1.40 -0.15 0.00 1.31 0.00 0.00 55.95 55.71 3hdx s SER 218 Cb 0.00 0.29 0.02 0.00 0.21 0.00 0.00 66.02 66.54 3hdx s SER 218 CO 0.00 -0.80 0.43 -0.72 0.41 0.00 0.00 173.24 172.57 3hdx s TYR 219 N -3.95 -0.02 0.00 2.43 1.13 -1.26 -0.60 117.35 115.08 3hdx s TYR 219 Ca 0.38 -0.32 0.00 0.00 -1.41 0.00 0.00 57.07 55.72 3hdx s TYR 219 Cb 0.07 0.25 0.00 0.00 -1.10 0.00 0.00 41.96 41.18 3hdx s TYR 219 CO 0.13 -0.81 0.00 0.41 -2.51 0.00 0.00 175.55 172.77 3hdx n GLY 220 N -0.28 2.17 0.36 5.49 0.00 -0.20 -1.74 105.19 110.99 3hdx n GLY 220 Ca -0.11 0.42 0.15 0.00 0.00 0.00 0.00 46.02 46.48 3hdx n GLY 220 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hdx h ALA 221 N -0.38 2.20 0.00 4.61 0.00 -1.96 -1.78 119.26 121.95 3hdx h ALA 221 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3hdx h ALA 221 Cb 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 3hdx h ALA 221 CO 0.00 -0.34 -0.07 1.96 0.00 0.00 0.00 179.25 180.80 3hdx h GLN 222 N 0.23 0.00 -0.01 0.00 4.20 -1.73 -2.43 115.11 115.37 3hdx h GLN 222 Ca 0.26 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.97 3hdx h GLN 222 Cb 0.71 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.49 3hdx h GLN 222 CO -0.05 0.07 -0.64 0.91 -0.67 0.00 0.00 178.83 178.46 3hdx n TRP 223 N -4.37 0.00 -1.81 2.96 5.03 -0.68 -4.90 117.44 113.67 3hdx n TRP 223 Ca -0.03 0.00 -0.42 0.00 3.03 0.00 0.00 57.50 60.09 3hdx n TRP 223 Cb 0.15 -0.01 -0.02 0.00 -1.03 0.00 0.00 31.31 30.40 3hdx n TRP 223 CO 0.00 0.00 0.00 -0.65 -0.03 0.00 0.00 177.69 177.01 3hdx s GLN 224 N -2.65 4.15 -0.27 -0.99 -0.21 -0.92 -1.67 119.66 117.09 3hdx s GLN 224 Ca 0.15 2.53 0.00 0.00 0.02 0.00 0.00 55.36 58.06 3hdx s GLN 224 Cb 0.17 -3.05 0.00 0.00 1.00 0.00 0.00 33.01 31.13 3hdx s GLN 224 CO 0.67 -0.63 0.00 0.41 -2.12 0.00 0.00 175.29 173.62 3hdx n GLY 225 N 2.61 0.52 1.18 3.09 0.00 -1.24 -4.41 105.19 106.94 3hdx n GLY 225 Ca 0.10 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.92 3hdx n GLY 225 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hdx n LYS 226 N -1.78 0.00 -3.60 1.61 5.02 -0.67 -4.86 118.16 113.88 3hdx n LYS 226 Ca -0.03 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.93 3hdx n LYS 226 Cb 0.23 -0.42 -0.05 0.00 -0.02 0.00 0.00 35.03 34.77 3hdx n LYS 226 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3hdx s LEU 227 N -6.45 4.29 0.03 -0.35 1.43 -1.01 -4.93 118.68 111.69 3hdx s LEU 227 Ca 0.00 0.72 -0.30 0.00 -1.03 0.00 0.00 54.13 53.52 3hdx s LEU 227 Cb 0.00 -3.20 -0.08 0.00 0.03 0.00 0.00 46.19 42.94 3hdx s LEU 227 CO 0.00 0.09 1.79 -0.36 0.23 0.00 0.00 176.35 178.11 3hdx s PHE 228 N -1.56 1.82 0.56 0.29 2.99 -1.26 -4.95 117.98 115.87 3hdx s PHE 228 Ca 0.38 -0.06 0.05 0.00 0.00 0.00 0.00 56.93 57.30 3hdx s PHE 228 Cb -0.13 -4.08 0.04 0.00 0.00 0.00 0.00 43.02 38.85 3hdx s PHE 228 CO 0.21 -4.63 0.37 0.54 -0.00 0.00 0.00 175.22 171.71 3hdx s ASN 229 N 3.50 4.56 0.24 1.36 2.20 -1.26 -4.90 114.94 120.64 3hdx s ASN 229 Ca 0.80 -1.34 -0.05 0.00 -0.94 0.00 0.00 52.86 51.32 3hdx s ASN 229 Cb -0.40 0.56 0.33 0.00 -2.00 0.00 0.00 41.25 39.75 3hdx s ASN 229 CO 0.35 -1.15 1.86 0.50 -2.94 0.00 0.00 177.10 175.72 3hdx h LYS 230 N 0.76 0.97 -0.02 3.55 3.64 -1.28 -1.42 116.57 122.76 3hdx h LYS 230 Ca -0.37 -0.06 -0.11 0.00 -1.27 0.00 0.00 60.65 58.84 3hdx h LYS 230 Cb 1.31 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.90 3hdx h LYS 230 CO 0.58 0.64 -0.52 -0.07 -2.27 0.00 0.00 179.45 177.81 3hdx h LEU 231 N 0.99 0.07 -0.43 5.20 3.38 -1.92 -2.03 115.31 120.58 3hdx h LEU 231 Ca 0.38 -0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.38 3hdx h LEU 231 Cb 0.16 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 40.83 3hdx h LEU 231 CO -0.17 0.58 0.09 0.28 0.09 0.00 0.00 178.44 179.31 3hdx h SER 232 N 0.05 0.01 -0.35 -0.43 0.02 -1.40 0.72 113.55 112.18 3hdx h SER 232 Ca -0.00 0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 3hdx h SER 232 Cb 0.94 0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.56 3hdx h SER 232 CO 0.07 0.04 0.16 0.00 -1.14 0.00 0.00 176.83 175.97 3hdx h ALA 233 N 1.33 0.45 -0.58 3.77 0.00 -1.10 -2.19 119.26 120.94 3hdx h ALA 233 Ca 0.21 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.07 3hdx h ALA 233 Cb 0.26 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3hdx h ALA 233 CO -0.27 0.02 0.39 1.88 0.00 0.00 0.00 179.25 181.27 3hdx h TYR 234 N 0.43 0.56 -0.44 0.00 0.05 -1.00 -1.61 116.97 114.96 3hdx h TYR 234 Ca 0.12 0.01 -0.10 0.00 0.05 0.00 0.00 58.73 58.81 3hdx h TYR 234 Cb 0.13 -0.18 -0.02 0.00 1.01 0.00 0.00 36.73 37.67 3hdx h TYR 234 CO -0.01 0.30 -0.13 0.77 -1.05 0.00 0.00 178.16 178.04 3hdx h SER 235 N 0.55 0.81 -0.20 3.88 0.02 -0.26 0.67 113.55 119.03 3hdx h SER 235 Ca 0.25 -0.25 -0.03 0.00 -0.84 0.00 0.00 61.79 60.91 3hdx h SER 235 Cb 0.29 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 3hdx h SER 235 CO -0.07 0.95 -0.00 0.58 -1.14 0.00 0.00 176.83 177.15 3hdx h VAL 236 N 0.73 1.26 -0.40 2.27 2.07 -0.96 -1.98 116.25 119.23 3hdx h VAL 236 Ca 0.12 -0.88 0.07 0.00 0.82 0.00 0.00 66.70 66.83 3hdx h VAL 236 Cb 0.63 1.44 -0.06 0.00 -1.52 0.00 0.00 31.29 31.78 3hdx h VAL 236 CO 0.04 0.27 0.03 -0.07 0.02 0.00 0.00 177.57 177.86 3hdx h LEU 237 N 0.11 -0.11 -0.45 2.57 3.38 -0.99 0.11 115.31 119.92 3hdx h LEU 237 Ca 0.06 0.08 0.05 0.00 0.09 0.00 0.00 57.88 58.17 3hdx h LEU 237 Cb 0.40 0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.24 3hdx h LEU 237 CO 0.01 -0.02 0.17 0.00 0.09 0.00 0.00 178.44 178.69 3hdx h ALA 238 N 1.34 0.55 -0.34 1.53 0.00 -0.74 -0.67 119.26 120.92 3hdx h ALA 238 Ca 0.20 0.05 -0.15 0.00 0.00 0.00 0.00 54.91 55.00 3hdx h ALA 238 Cb 0.27 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3hdx h ALA 238 CO -0.30 -0.21 -0.39 0.45 0.00 0.00 0.00 179.25 178.80 3hdx h HIS 239 N 0.35 0.99 -0.25 0.00 3.86 -1.07 -1.13 115.15 117.91 3hdx h HIS 239 Ca 0.21 -0.29 0.02 0.00 -1.16 0.00 0.00 60.37 59.15 3hdx h HIS 239 Cb 0.19 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 28.43 3hdx h HIS 239 CO -0.15 1.08 0.11 0.82 0.86 0.00 0.00 177.93 180.66 3hdx h ILE 240 N 0.68 0.97 -0.40 2.45 2.04 -0.49 -0.87 117.51 121.88 3hdx h ILE 240 Ca 0.06 -0.08 -0.00 0.00 1.00 0.00 0.00 64.86 65.84 3hdx h ILE 240 Cb 0.96 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 37.73 3hdx h ILE 240 CO 0.09 0.04 0.25 0.00 0.00 0.00 0.00 178.15 178.53 3hdx h ALA 242 N 1.12 1.01 -0.08 0.00 0.00 -1.09 0.18 119.26 120.39 3hdx h ALA 242 Ca 0.14 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3hdx h ALA 242 Cb -0.02 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.45 3hdx h ALA 242 CO -0.03 0.51 0.04 2.35 0.00 0.00 0.00 179.25 182.12 3hdx h TRP 243 N 1.09 0.10 -0.01 0.00 2.91 -0.68 -1.39 115.95 117.98 3hdx h TRP 243 Ca 0.28 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.30 3hdx h TRP 243 Cb 0.01 -0.03 0.00 0.00 -0.51 0.00 0.00 29.16 28.63 3hdx h TRP 243 CO -0.00 0.08 -0.09 1.04 -1.03 0.00 0.00 178.44 178.44 3hdx n GLN 244 N -4.51 1.30 -1.03 2.65 6.02 -0.63 -4.94 117.38 116.23 3hdx n GLN 244 Ca -0.02 -0.72 -0.01 0.00 -0.01 0.00 0.00 57.00 56.25 3hdx n GLN 244 Cb 0.10 -1.49 -0.00 0.00 1.02 0.00 0.00 30.24 29.87 3hdx n GLN 244 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3hdx n GLY 245 N 1.23 0.49 3.11 1.08 0.00 -0.52 -4.95 105.19 105.62 3hdx n GLY 245 Ca 0.17 -0.26 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 3hdx n GLY 245 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hdx n ASN 246 N 0.27 5.19 0.18 1.61 3.02 0.56 -4.80 115.26 121.28 3hdx n ASN 246 Ca -0.01 -3.07 0.06 0.00 -0.03 0.00 0.00 54.58 51.53 3hdx n ASN 246 Cb 0.10 -1.51 0.28 0.00 -0.61 0.00 0.00 39.78 38.05 3hdx n ASN 246 CO 0.00 0.00 0.00 1.88 -2.62 0.00 0.00 177.26 176.52 3hdx h TYR 247 N 6.28 0.00 -0.29 3.10 0.05 -1.91 -1.72 116.97 122.48 3hdx h TYR 247 Ca 0.36 0.00 0.03 0.00 0.05 0.00 0.00 58.73 59.17 3hdx h TYR 247 Cb 0.72 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.43 3hdx h TYR 247 CO 1.18 0.38 0.09 0.00 -1.05 0.00 0.00 178.16 178.75 3hdx h ALA 248 N 1.62 0.32 -0.24 3.88 0.00 -1.89 -0.03 119.26 122.91 3hdx h ALA 248 Ca -0.00 0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.76 3hdx h ALA 248 Cb 1.00 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 3hdx h ALA 248 CO 0.05 -0.32 -0.57 0.93 0.00 0.00 0.00 179.25 179.34 3hdx h GLU 249 N 0.21 0.75 -0.97 0.00 5.08 -1.94 -2.56 114.58 115.15 3hdx h GLU 249 Ca 0.13 -0.49 0.01 0.00 -1.00 0.00 0.00 59.36 58.01 3hdx h GLU 249 Cb 0.11 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.37 3hdx h GLU 249 CO -0.14 1.11 0.64 0.00 -1.00 0.00 0.00 179.01 179.62 3hdx h ALA 250 N 0.78 1.23 -0.30 3.43 0.00 -1.10 -0.61 119.26 122.70 3hdx h ALA 250 Ca 0.01 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 3hdx h ALA 250 Cb 1.16 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 3hdx h ALA 250 CO 0.12 0.61 0.05 1.49 0.00 0.00 0.00 179.25 181.52 3hdx h GLU 251 N 1.30 0.49 -0.44 0.00 4.22 -0.92 -0.75 114.58 118.48 3hdx h GLU 251 Ca 0.36 -0.13 -0.02 0.00 0.08 0.00 0.00 59.36 59.65 3hdx h GLU 251 Cb -0.14 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.03 3hdx h GLU 251 CO -0.08 0.59 0.21 1.15 -2.18 0.00 0.00 179.01 178.70 3hdx h THR 252 N 0.31 1.18 -0.40 0.32 2.02 -1.02 0.27 112.91 115.60 3hdx h THR 252 Ca 0.09 -0.52 -0.12 0.00 0.77 0.00 0.00 66.41 66.63 3hdx h THR 252 Cb 0.33 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 3hdx h THR 252 CO 0.01 0.20 -0.23 1.88 0.37 0.00 0.00 175.52 177.74 3hdx h TYR 253 N 0.57 1.00 -0.71 3.16 0.05 -1.10 -1.10 116.97 118.84 3hdx h TYR 253 Ca 0.15 -0.26 -0.05 0.00 0.05 0.00 0.00 58.73 58.62 3hdx h TYR 253 Cb 0.12 -0.23 -0.03 0.00 1.01 0.00 0.00 36.73 37.61 3hdx h TYR 253 CO -0.01 1.04 0.25 0.66 -1.05 0.00 0.00 178.16 179.05 3hdx h SER 254 N 0.67 1.01 -0.71 3.88 4.64 -0.98 -1.84 113.55 120.22 3hdx h SER 254 Ca 0.08 -0.19 0.03 0.00 -0.47 0.00 0.00 61.79 61.24 3hdx h SER 254 Cb 0.80 -0.26 -0.04 0.00 -0.31 0.00 0.00 62.40 62.58 3hdx h SER 254 CO 0.07 0.93 0.45 0.00 -0.87 0.00 0.00 176.83 177.41 3hdx h ALA 255 N 1.12 0.93 -0.53 5.18 0.00 -0.81 -1.44 119.26 123.71 3hdx h ALA 255 Ca 0.23 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 3hdx h ALA 255 Cb 0.27 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3hdx h ALA 255 CO -0.01 0.23 0.27 0.35 0.00 0.00 0.00 179.25 180.08 3hdx h PHE 256 N 0.87 0.74 -0.02 0.00 3.57 -0.76 0.08 116.94 121.43 3hdx h PHE 256 Ca 0.29 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.76 3hdx h PHE 256 Cb 0.02 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 38.52 3hdx h PHE 256 CO -0.04 0.57 -0.01 0.82 -2.23 0.00 0.00 178.31 177.42 3hdx h ILE 257 N 0.70 0.98 -0.73 1.41 2.04 -0.99 -1.45 117.51 119.46 3hdx h ILE 257 Ca 0.18 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.05 3hdx h ILE 257 Cb 0.09 0.98 -0.04 0.00 -0.74 0.00 0.00 36.82 37.11 3hdx h ILE 257 CO -0.03 0.00 0.48 0.40 0.00 0.00 0.00 178.15 179.01 3hdx h ILE 258 N -0.00 1.19 0.00 -0.67 2.04 -0.94 -1.13 117.51 118.00 3hdx h ILE 258 Ca 0.01 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.52 3hdx h ILE 258 Cb 0.02 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.21 3hdx h ILE 258 CO -0.02 0.18 0.00 0.44 0.00 0.00 0.00 178.15 178.75 3hdx h ASP 259 N 1.00 0.00 -0.24 1.72 3.32 -0.81 -3.09 116.42 118.32 3hdx h ASP 259 Ca 0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.32 3hdx h ASP 259 Cb -0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.44 3hdx h ASP 259 CO -0.06 0.00 0.00 1.41 -1.72 0.00 0.00 179.24 178.87 3hdx n HIS 260 N -3.01 0.48 -0.33 4.55 8.25 -0.56 -4.78 115.22 119.83 3hdx n HIS 260 Ca 0.02 -0.64 0.07 0.00 -0.26 0.00 0.00 57.72 56.91 3hdx n HIS 260 Cb 0.37 -0.12 0.27 0.00 1.12 0.00 0.00 29.99 31.63 3hdx n HIS 260 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hdx h ALA 261 N 1.49 1.58 0.00 -1.41 0.00 -1.13 0.05 119.26 119.84 3hdx h ALA 261 Ca 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3hdx h ALA 261 Cb 0.91 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 3hdx h ALA 261 CO 0.06 0.20 -0.00 0.66 0.00 0.00 0.00 179.25 180.17 3hdx h SER 262 N 0.95 0.00 0.21 0.00 4.64 -1.85 -1.47 113.55 116.03 3hdx h SER 262 Ca 0.46 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.74 3hdx h SER 262 Cb 0.46 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.54 3hdx h SER 262 CO -0.22 0.00 -0.20 -0.33 -0.87 0.00 0.00 176.83 175.21 3hdx h GLU 263 N 0.00 0.00 -0.27 4.77 4.39 -1.35 -2.13 114.58 119.99 3hdx h GLU 263 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3hdx h GLU 263 Cb 0.01 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.66 3hdx h GLU 263 CO 0.00 0.20 0.00 0.44 -1.16 0.00 0.00 179.01 178.49 3hdx n ILE 264 N -4.27 0.52 -3.26 3.13 -5.35 -0.88 -4.49 119.36 104.76 3hdx n ILE 264 Ca -0.02 -0.76 -0.21 0.00 -0.27 0.00 0.00 62.75 61.49 3hdx n ILE 264 Cb 0.26 0.90 0.06 0.00 -1.74 0.00 0.00 39.64 39.12 3hdx n ILE 264 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 3hdx n ASN 265 N 0.94 -5.84 -4.79 7.28 5.15 -0.80 -4.76 115.26 112.43 3hdx n ASN 265 Ca 0.13 -0.39 -0.38 0.00 -0.60 0.00 0.00 54.58 53.35 3hdx n ASN 265 Cb 0.46 -4.55 -0.06 0.00 -0.53 0.00 0.00 39.78 35.10 3hdx n ASN 265 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3hdx s ALA 266 N -3.22 3.64 0.26 5.20 0.00 -0.61 -3.76 121.76 123.28 3hdx s ALA 266 Ca 0.42 -0.29 0.01 0.00 0.00 0.00 0.00 51.96 52.10 3hdx s ALA 266 Cb -0.19 -2.41 -0.05 0.00 0.00 0.00 0.00 23.12 20.47 3hdx s ALA 266 CO 0.52 0.31 0.11 0.15 0.00 0.00 0.00 175.76 176.85 3hdx s LYS 267 N -0.40 1.42 0.23 0.00 1.02 -1.26 -4.27 119.74 116.48 3hdx s LYS 267 Ca 0.22 -1.78 -0.30 0.00 0.02 0.00 0.00 55.97 54.13 3hdx s LYS 267 Cb -0.15 -0.18 -0.09 0.00 -0.52 0.00 0.00 37.83 36.89 3hdx s LYS 267 CO 0.10 -0.33 0.95 0.71 -0.92 0.00 0.00 175.35 175.86 3hdx s TYR 268 N -3.77 3.96 -0.16 3.18 2.02 -1.26 -4.50 117.35 116.82 3hdx s TYR 268 Ca 0.37 1.90 -0.07 0.00 -0.37 0.00 0.00 57.07 58.91 3hdx s TYR 268 Cb 0.07 -3.00 -0.04 0.00 -0.40 0.00 0.00 41.96 38.59 3hdx s TYR 268 CO 0.14 0.40 0.07 0.99 -1.57 0.00 0.00 175.55 175.58 3hdx s THR 269 N -1.04 4.85 0.76 -0.71 2.01 -1.26 -5.09 115.64 115.16 3hdx s THR 269 Ca 0.42 -0.02 -0.11 0.00 0.31 0.00 0.00 61.69 62.29 3hdx s THR 269 Cb -0.26 -3.15 0.05 0.00 0.01 0.00 0.00 72.50 69.15 3hdx s THR 269 CO 0.32 0.51 1.10 -0.94 -0.69 0.00 0.00 174.62 174.91 3hdx s SER 270 N -0.05 4.54 0.26 3.53 1.04 -1.26 -4.80 113.70 116.95 3hdx s SER 270 Ca 0.07 1.86 -0.04 0.00 0.48 0.00 0.00 55.95 58.32 3hdx s SER 270 Cb -0.12 -2.53 0.35 0.00 0.10 0.00 0.00 66.02 63.83 3hdx s SER 270 CO 0.01 -2.01 1.88 -0.29 0.98 0.00 0.00 173.24 173.81 3hdx h ILE 271 N -0.98 1.11 -0.28 -1.02 6.09 -1.97 0.13 117.51 120.60 3hdx h ILE 271 Ca -0.44 -0.40 -0.01 0.00 -1.37 0.00 0.00 64.86 62.64 3hdx h ILE 271 Cb 1.23 -0.15 -0.01 0.00 0.47 0.00 0.00 36.82 38.36 3hdx h ILE 271 CO 0.51 0.21 0.13 0.00 -3.07 0.00 0.00 178.15 175.93 3hdx h ALA 272 N 1.42 0.36 0.00 0.18 0.00 -1.97 -2.51 119.26 116.74 3hdx h ALA 272 Ca 0.40 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 55.15 3hdx h ALA 272 Cb 0.10 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3hdx h ALA 272 CO -0.15 -0.07 -0.31 -0.44 0.00 0.00 0.00 179.25 178.27 3hdx h ASP 273 N 0.31 0.00 -0.18 0.00 3.32 -1.80 -0.52 116.42 117.55 3hdx h ASP 273 Ca 0.09 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.98 3hdx h ASP 273 Cb 0.13 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 3hdx h ASP 273 CO -0.01 0.31 -0.47 0.25 -1.72 0.00 0.00 179.24 177.60 3hdx h LEU 274 N 0.00 0.81 0.00 1.55 5.85 -0.53 0.35 115.31 123.33 3hdx h LEU 274 Ca -0.00 -0.40 0.00 0.00 0.84 0.00 0.00 57.88 58.32 3hdx h LEU 274 Cb 0.72 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.52 3hdx h LEU 274 CO 0.04 1.15 -0.83 0.35 -0.34 0.00 0.00 178.44 178.81 3hdx n THR 275 N -4.01 0.00 -1.47 1.05 -2.24 -0.96 -4.20 114.28 102.44 3hdx n THR 275 Ca -0.03 -0.14 -0.35 0.00 -2.27 0.00 0.00 64.05 61.26 3hdx n THR 275 Cb 0.57 0.93 0.09 0.00 -2.10 0.00 0.00 70.33 69.83 3hdx n THR 275 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3hdx s SER 276 N -2.61 4.23 0.26 3.42 0.15 -0.22 -4.66 113.70 114.27 3hdx s SER 276 Ca 0.05 2.40 0.23 0.00 0.70 0.00 0.00 55.95 59.33 3hdx s SER 276 Cb 0.12 -2.59 0.98 0.00 -1.71 0.00 0.00 66.02 62.81 3hdx s SER 276 CO 0.66 -2.24 1.71 -1.84 1.20 0.00 0.00 173.24 172.73 3hdx n GLU 277 N -2.61 0.19 -0.23 5.44 0.28 -1.26 -1.42 120.64 121.04 3hdx n GLU 277 Ca 0.14 0.42 0.09 0.00 -0.16 0.00 0.00 57.16 57.65 3hdx n GLU 277 Cb 0.50 -1.87 0.16 0.00 1.43 0.00 0.00 31.44 31.66 3hdx n GLU 277 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 3hdx n THR 278 N -2.23 1.99 -0.75 3.84 -2.24 -1.26 -4.68 114.28 108.95 3hdx n THR 278 Ca 0.02 -2.52 0.00 0.00 -2.27 0.00 0.00 64.05 59.28 3hdx n THR 278 Cb 0.23 -0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.22 3hdx n THR 278 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hdx n GLY 279 N -1.33 1.47 0.40 3.38 0.00 -0.50 -4.40 105.19 104.20 3hdx n GLY 279 Ca 0.17 -1.78 0.19 0.00 0.00 0.00 0.00 46.02 44.60 3hdx n GLY 279 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3hdx h LEU 280 N 0.00 0.48 -0.02 0.99 5.85 -1.09 0.10 115.31 121.63 3hdx h LEU 280 Ca 0.00 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.78 3hdx h LEU 280 Cb 0.00 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.01 3hdx h LEU 280 CO 0.00 0.16 -0.09 0.49 -0.34 0.00 0.00 178.44 178.67 3hdx n PHE 281 N -4.58 0.00 -3.04 1.25 3.72 -1.26 -4.77 117.46 108.78 3hdx n PHE 281 Ca 0.22 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.22 3hdx n PHE 281 Cb 0.73 -0.40 -0.05 0.00 -0.94 0.00 0.00 39.48 38.82 3hdx n PHE 281 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 176.76 176.24 3hdx s TYR 282 N -2.89 3.54 0.22 1.38 5.04 0.35 -0.48 117.35 124.51 3hdx s TYR 282 Ca 0.17 1.21 -0.10 0.00 -2.44 0.00 0.00 57.07 55.91 3hdx s TYR 282 Cb 0.19 -2.83 0.31 0.00 0.35 0.00 0.00 41.96 39.99 3hdx s TYR 282 CO 0.54 0.02 1.66 1.03 -1.34 0.00 0.00 175.55 177.46 3hdx h SER 283 N 6.90 -0.28 -0.95 4.32 0.87 -1.85 -2.12 113.55 120.44 3hdx h SER 283 Ca -0.39 0.16 -0.49 0.00 -1.23 0.00 0.00 61.79 59.84 3hdx h SER 283 Cb 1.18 0.28 -0.29 0.00 -0.44 0.00 0.00 62.40 63.13 3hdx h SER 283 CO 0.77 -0.12 0.62 -3.20 -0.53 0.00 0.00 176.83 174.37 3hdx n ASN 284 N -5.28 3.75 -4.71 6.23 5.15 -1.26 -4.87 115.26 114.26 3hdx n ASN 284 Ca 0.10 -3.53 -0.39 0.00 -0.60 0.00 0.00 54.58 50.15 3hdx n ASN 284 Cb 0.37 -0.82 0.04 0.00 -0.53 0.00 0.00 39.78 38.83 3hdx n ASN 284 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3hdx n ALA 285 N -1.05 1.31 -0.03 5.20 0.00 -0.80 -4.89 120.51 120.24 3hdx n ALA 285 Ca 0.57 0.15 0.12 0.00 0.00 0.00 0.00 53.44 54.28 3hdx n ALA 285 Cb 1.62 -2.30 0.53 0.00 0.00 0.00 0.00 19.45 19.31 3hdx n ALA 285 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3hdx h SER 286 N 1.48 0.29 -0.34 0.00 4.64 -1.90 -1.54 113.55 116.18 3hdx h SER 286 Ca -0.50 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3hdx h SER 286 Cb 1.31 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3hdx h SER 286 CO 0.57 0.18 0.00 1.33 -0.87 0.00 0.00 176.83 178.04 3hdx n VAL 287 N -4.46 0.89 -0.20 0.95 0.24 -1.26 -4.60 118.33 109.89 3hdx n VAL 287 Ca 0.08 -0.59 0.21 0.00 -2.04 0.00 0.00 64.34 61.99 3hdx n VAL 287 Cb 0.36 -0.02 0.57 0.00 -1.47 0.00 0.00 33.84 33.28 3hdx n VAL 287 CO 0.00 0.00 0.00 0.07 -2.14 0.00 0.00 176.83 174.76 3hdx h LYS 288 N 2.13 0.28 0.00 7.34 2.10 -1.61 -0.23 116.57 126.59 3hdx h LYS 288 Ca 0.00 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 3hdx h LYS 288 Cb 0.82 -0.06 0.00 0.00 -0.90 0.00 0.00 32.23 32.09 3hdx h LYS 288 CO 0.11 0.19 0.00 0.78 -2.00 0.00 0.00 179.45 178.52 3hdx h GLY 289 N 0.29 0.00 2.00 0.07 0.00 -1.77 -1.44 103.07 102.22 3hdx h GLY 289 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.76 3hdx h GLY 289 CO -0.12 0.00 0.00 1.44 0.00 0.00 0.00 176.54 177.86 3hdx n SER 290 N -3.06 0.00 -4.55 0.19 7.64 -0.10 -3.83 113.62 109.91 3hdx n SER 290 Ca -0.03 0.50 -0.41 0.00 1.01 0.00 0.00 58.87 59.94 3hdx n SER 290 Cb 0.10 -0.50 -0.03 0.00 -1.01 0.00 0.00 64.21 62.77 3hdx n SER 290 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3hdx s ARG 291 N -3.00 3.54 0.24 1.43 0.52 -0.54 -4.36 118.95 116.77 3hdx s ARG 291 Ca 0.10 -1.07 -0.07 0.00 -0.52 0.00 0.00 55.73 54.17 3hdx s ARG 291 Cb 0.14 -5.17 0.22 0.00 0.52 0.00 0.00 34.95 30.66 3hdx s ARG 291 CO 0.39 -2.16 1.88 0.82 0.02 0.00 0.00 175.30 176.25 3hdx h ILE 292 N 6.61 1.25 -3.07 1.52 2.04 -1.55 -3.40 117.51 120.92 3hdx h ILE 292 Ca 0.13 -0.55 -0.26 0.00 1.00 0.00 0.00 64.86 65.18 3hdx h ILE 292 Cb 1.02 -0.05 -0.34 0.00 -0.74 0.00 0.00 36.82 36.70 3hdx h ILE 292 CO 1.38 0.27 -0.60 -0.22 0.00 0.00 0.00 178.15 178.98 3hdx s LEU 293 N -10.02 0.05 0.30 1.44 0.20 -1.16 -3.98 118.68 105.51 3hdx s LEU 293 Ca -0.13 0.39 -0.18 0.00 0.69 0.00 0.00 54.13 54.90 3hdx s LEU 293 Cb 0.17 0.40 0.06 0.00 -0.43 0.00 0.00 46.19 46.39 3hdx s LEU 293 CO 0.82 -0.22 0.88 -0.83 -0.29 0.00 0.00 176.35 176.71 3hdx s GLY 294 N 2.06 0.25 -0.04 7.98 0.00 -1.26 -0.33 107.32 115.98 3hdx s GLY 294 Ca -0.00 -0.56 0.01 0.00 0.00 0.00 0.00 44.72 44.16 3hdx s GLY 294 CO -0.06 0.73 -0.02 -1.36 0.00 0.00 0.00 173.10 172.38 3hdx s PHE 295 N -2.32 0.52 0.23 1.90 0.08 -0.23 -4.93 117.98 113.23 3hdx s PHE 295 Ca 0.18 -0.10 0.07 0.00 0.12 0.00 0.00 56.93 57.20 3hdx s PHE 295 Cb -0.04 -0.53 -0.04 0.00 -0.57 0.00 0.00 43.02 41.84 3hdx s PHE 295 CO 0.09 -0.16 0.10 -0.80 -0.10 0.00 0.00 175.22 174.35 3hdx s ASN 296 N 0.94 5.14 -0.08 1.36 0.01 -1.26 -0.75 114.94 120.31 3hdx s ASN 296 Ca -0.11 -0.35 0.02 0.00 -0.71 0.00 0.00 52.86 51.71 3hdx s ASN 296 Cb -0.14 -1.20 -0.02 0.00 0.41 0.00 0.00 41.25 40.29 3hdx s ASN 296 CO -0.01 0.01 -0.12 -0.36 -1.51 0.00 0.00 177.10 175.11 3hdx s PHE 297 N -2.04 2.78 -0.48 2.20 0.40 -1.26 -5.02 117.98 114.56 3hdx s PHE 297 Ca 0.31 -0.25 0.04 0.00 -0.60 0.00 0.00 56.93 56.44 3hdx s PHE 297 Cb -0.08 -1.71 0.06 0.00 0.51 0.00 0.00 43.02 41.80 3hdx s PHE 297 CO 0.22 0.11 0.79 0.00 0.70 0.00 0.00 175.22 177.04 3hdx n ALA 298 N 2.63 2.35 0.00 5.36 0.00 -1.26 -4.94 120.51 124.66 3hdx n ALA 298 Ca -0.18 -0.71 0.00 0.00 0.00 0.00 0.00 53.44 52.56 3hdx n ALA 298 Cb 0.52 -0.15 0.00 0.00 0.00 0.00 0.00 19.45 19.82 3hdx n ALA 298 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hdx n GLY 308 N 0.13 0.00 3.17 0.00 0.00 -1.23 -5.23 105.19 102.03 3hdx n GLY 308 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 3hdx n GLY 308 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hdx s HIS 309 N 0.00 -0.33 0.30 1.61 0.09 -1.26 -4.86 115.29 110.84 3hdx s HIS 309 Ca 0.00 0.79 0.03 0.00 -0.00 0.00 0.00 55.06 55.88 3hdx s HIS 309 Cb 0.00 0.11 0.61 0.00 -0.00 0.00 0.00 32.58 33.30 3hdx s HIS 309 CO 0.00 -0.17 1.85 1.25 -0.00 0.00 0.00 174.74 177.68 3hdx h LEU 310 N 5.89 0.86 -1.77 0.89 5.85 -1.94 -1.86 115.31 123.23 3hdx h LEU 310 Ca -0.28 0.04 0.29 0.00 0.84 0.00 0.00 57.88 58.77 3hdx h LEU 310 Cb 1.19 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 42.02 3hdx h LEU 310 CO 0.33 0.47 0.73 -0.33 -0.34 0.00 0.00 178.44 179.29 3hdx h GLU 311 N 0.93 0.14 -0.84 1.25 3.07 -1.96 0.14 114.58 117.31 3hdx h GLU 311 Ca 0.47 -0.01 0.08 0.00 -0.50 0.00 0.00 59.36 59.41 3hdx h GLU 311 Cb 0.51 -0.03 -0.06 0.00 -0.84 0.00 0.00 28.75 28.33 3hdx h GLU 311 CO -0.24 0.09 0.55 1.96 -1.40 0.00 0.00 179.01 179.97 3hdx h GLN 312 N 0.15 0.83 0.00 2.33 4.20 -1.70 -1.29 115.11 119.63 3hdx h GLN 312 Ca 0.53 -0.05 -0.26 0.00 0.06 0.00 0.00 58.65 58.93 3hdx h GLN 312 Cb 1.83 -0.19 -0.04 0.00 0.30 0.00 0.00 27.48 29.37 3hdx h GLN 312 CO -0.11 0.55 -1.53 -0.07 -0.67 0.00 0.00 178.83 177.01 3hdx h LEU 313 N 0.86 0.00 0.00 1.46 3.38 -0.92 -3.43 115.31 116.66 3hdx h LEU 313 Ca 0.38 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 58.06 3hdx h LEU 313 Cb 0.34 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.03 3hdx h LEU 313 CO -0.15 0.96 -2.08 0.35 0.09 0.00 0.00 178.44 177.61 3hdx n THR 314 N -3.10 1.09 -2.93 0.22 -2.24 -0.61 -1.18 114.28 105.53 3hdx n THR 314 Ca -0.13 -0.62 -0.33 0.00 -2.27 0.00 0.00 64.05 60.70 3hdx n THR 314 Cb 1.01 -0.69 -0.07 0.00 -2.10 0.00 0.00 70.33 68.48 3hdx n THR 314 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3hdx s LEU 315 N -5.33 4.03 0.00 3.22 1.43 -0.50 -4.24 118.68 117.29 3hdx s LEU 315 Ca -0.11 1.56 -0.09 0.00 -1.03 0.00 0.00 54.13 54.47 3hdx s LEU 315 Cb 0.05 -4.30 0.03 0.00 0.03 0.00 0.00 46.19 42.00 3hdx s LEU 315 CO 0.61 -0.27 0.65 0.00 0.23 0.00 0.00 176.35 177.57 3hdx n ALA 316 N -0.38 -1.09 -1.66 4.21 0.00 -1.26 -4.48 120.51 115.86 3hdx n ALA 316 Ca 0.05 -1.43 -0.44 0.00 0.00 0.00 0.00 53.44 51.62 3hdx n ALA 316 Cb 0.53 1.15 -0.02 0.00 0.00 0.00 0.00 19.45 21.11 3hdx n ALA 316 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 3hdx n TYR 317 N -0.55 1.93 1.46 0.00 9.36 0.10 -1.44 117.16 128.02 3hdx n TYR 317 Ca -0.04 0.56 0.12 0.00 3.32 0.00 0.00 57.90 61.86 3hdx n TYR 317 Cb 0.59 -2.38 0.49 0.00 -0.63 0.00 0.00 39.34 37.41 3hdx n TYR 317 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3hdx n PRO 318 N 1.11 1.59 0.01 2.98 -0.04 -1.26 -4.89 135.00 134.51 3hdx n PRO 318 Ca 0.09 -0.87 -0.08 0.00 -0.04 0.00 0.00 63.50 62.59 3hdx n PRO 318 Cb 0.33 -1.43 0.08 0.00 -0.04 0.00 0.00 33.50 32.44 3hdx n PRO 318 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3hdx h LEU 319 N 1.92 0.56 -8.55 1.53 4.07 -1.64 -3.45 115.31 109.75 3hdx h LEU 319 Ca 0.00 -0.29 -0.23 0.00 0.08 0.00 0.00 57.88 57.44 3hdx h LEU 319 Cb 0.41 -0.16 -0.15 0.00 1.08 0.00 0.00 40.66 41.85 3hdx h LEU 319 CO 0.00 0.98 -0.64 0.68 -1.08 0.00 0.00 178.44 178.38 3hdx s VAL 320 N -4.03 0.15 0.31 1.22 -7.23 -1.16 -4.99 120.40 104.66 3hdx s VAL 320 Ca -0.07 -1.96 0.06 0.00 -1.81 0.00 0.00 61.98 58.21 3hdx s VAL 320 Cb 0.12 -2.28 0.30 0.00 0.56 0.00 0.00 36.38 35.08 3hdx s VAL 320 CO 0.83 -0.24 1.78 1.56 -0.31 0.00 0.00 175.10 178.72 3hdx h GLN 321 N 2.71 0.73 -6.43 4.82 4.20 -1.89 -2.35 115.11 116.90 3hdx h GLN 321 Ca -0.36 -0.04 -0.61 0.00 0.06 0.00 0.00 58.65 57.70 3hdx h GLN 321 Cb 1.22 -0.16 0.05 0.00 0.30 0.00 0.00 27.48 28.89 3hdx h GLN 321 CO 0.57 0.48 0.78 1.17 -0.67 0.00 0.00 178.83 181.16 3hdx n LYS 322 N -4.75 1.96 -0.26 1.46 4.81 -1.26 -4.54 118.16 115.57 3hdx n LYS 322 Ca 0.23 0.71 -0.06 0.00 -0.87 0.00 0.00 58.31 58.32 3hdx n LYS 322 Cb 0.58 -2.46 0.08 0.00 0.02 0.00 0.00 35.03 33.25 3hdx n LYS 322 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3hdx h SER 323 N 6.13 1.06 -4.58 3.14 4.64 -1.94 0.30 113.55 122.29 3hdx h SER 323 Ca -0.46 -0.18 -0.33 0.00 -0.47 0.00 0.00 61.79 60.35 3hdx h SER 323 Cb 1.27 -0.28 -0.22 0.00 -0.31 0.00 0.00 62.40 62.86 3hdx h SER 323 CO 0.88 0.97 -0.75 -0.72 -0.87 0.00 0.00 176.83 176.33 3hdx s TYR 324 N -5.44 0.84 0.44 4.77 -0.85 -1.26 -4.35 117.35 111.50 3hdx s TYR 324 Ca -0.12 -0.44 -0.21 0.00 -0.52 0.00 0.00 57.07 55.78 3hdx s TYR 324 Cb 0.15 -0.50 -0.10 0.00 0.38 0.00 0.00 41.96 41.90 3hdx s TYR 324 CO 0.84 -0.03 1.00 -1.25 -1.52 0.00 0.00 175.55 174.59 3hdx s PRO 325 N -1.45 4.07 0.20 -3.49 0.04 -1.26 -4.76 135.00 128.34 3hdx s PRO 325 Ca -0.06 1.29 -0.04 0.00 0.04 0.00 0.00 61.00 62.23 3hdx s PRO 325 Cb -0.09 -2.23 0.13 0.00 0.04 0.00 0.00 34.50 32.35 3hdx s PRO 325 CO 0.01 -0.19 1.55 0.93 0.04 0.00 0.00 177.00 179.34 3hdx h GLU 326 N 1.93 0.66 -4.19 4.56 5.08 -1.57 -3.41 114.58 117.65 3hdx h GLU 326 Ca -0.49 -0.35 -0.19 0.00 -1.00 0.00 0.00 59.36 57.33 3hdx h GLU 326 Cb 1.20 0.01 -0.20 0.00 0.50 0.00 0.00 28.75 30.27 3hdx h GLU 326 CO 0.61 0.96 -0.70 0.96 -1.00 0.00 0.00 179.01 179.83 3hdx s ILE 327 N -4.26 0.25 0.18 3.13 -4.36 -0.32 -1.16 121.20 114.66 3hdx s ILE 327 Ca -0.08 -1.16 -0.22 0.00 -0.26 0.00 0.00 60.65 58.92 3hdx s ILE 327 Cb 0.12 -0.63 0.06 0.00 1.25 0.00 0.00 42.46 43.26 3hdx s ILE 327 CO 0.84 -0.58 0.61 -0.72 0.24 0.00 0.00 174.94 175.33 3hdx s TYR 328 N -1.99 -0.46 -0.34 1.37 1.13 -0.27 -4.42 117.35 112.37 3hdx s TYR 328 Ca -0.09 0.20 -0.19 0.00 -1.41 0.00 0.00 57.07 55.58 3hdx s TYR 328 Cb -0.06 0.57 -0.00 0.00 -1.10 0.00 0.00 41.96 41.37 3hdx s TYR 328 CO -0.02 -0.91 0.57 0.42 -2.51 0.00 0.00 175.55 173.09 3hdx s ILE 329 N -3.78 4.97 0.86 -3.49 -1.09 -1.26 0.26 121.20 117.67 3hdx s ILE 329 Ca 0.03 0.52 -0.11 0.00 -2.23 0.00 0.00 60.65 58.86 3hdx s ILE 329 Cb -0.02 -3.99 0.11 0.00 -1.58 0.00 0.00 42.46 36.98 3hdx s ILE 329 CO -0.09 -0.21 1.09 -0.94 -1.23 0.00 0.00 174.94 173.56 3hdx s SER 330 N 1.74 3.75 0.23 3.58 1.04 -1.26 -4.67 113.70 118.11 3hdx s SER 330 Ca 0.21 1.69 -0.07 0.00 0.48 0.00 0.00 55.95 58.26 3hdx s SER 330 Cb -0.15 -2.35 0.21 0.00 0.10 0.00 0.00 66.02 63.83 3hdx s SER 330 CO 0.13 -2.49 1.86 0.11 0.98 0.00 0.00 173.24 173.83 3hdx h LYS 331 N -1.45 1.24 -0.68 4.02 1.57 -1.97 0.54 116.57 119.84 3hdx h LYS 331 Ca -0.47 -0.13 0.03 0.00 -1.87 0.00 0.00 60.65 58.21 3hdx h LYS 331 Cb 1.26 -0.25 -0.04 0.00 0.08 0.00 0.00 32.23 33.28 3hdx h LYS 331 CO 0.52 0.89 0.42 -0.44 -0.57 0.00 0.00 179.45 180.27 3hdx h ASP 332 N 1.25 0.68 -0.30 0.86 3.32 -1.99 -0.49 116.42 119.76 3hdx h ASP 332 Ca 0.32 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.34 3hdx h ASP 332 Cb -0.01 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 3hdx h ASP 332 CO -0.06 0.47 0.05 0.28 -1.72 0.00 0.00 179.24 178.26 3hdx h SER 333 N 0.82 0.48 -0.65 6.45 0.02 -1.77 -2.33 113.55 116.57 3hdx h SER 333 Ca 0.28 -0.26 0.05 0.00 -0.84 0.00 0.00 61.79 61.01 3hdx h SER 333 Cb 0.04 -0.13 -0.05 0.00 0.14 0.00 0.00 62.40 62.40 3hdx h SER 333 CO -0.12 0.62 0.37 -0.07 -1.14 0.00 0.00 176.83 176.50 3hdx h LEU 334 N 0.32 0.58 -0.54 5.07 3.38 -0.38 -0.33 115.31 123.40 3hdx h LEU 334 Ca 0.09 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3hdx h LEU 334 Cb 0.35 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3hdx h LEU 334 CO 0.01 0.38 0.00 -0.26 0.09 0.00 0.00 178.44 178.66 3hdx h PHE 335 N 0.71 0.00 0.22 1.13 0.04 -1.07 -0.75 116.94 117.22 3hdx h PHE 335 Ca 0.28 0.00 -0.34 0.00 2.80 0.00 0.00 57.97 60.71 3hdx h PHE 335 Cb 0.13 0.00 0.03 0.00 2.20 0.00 0.00 35.95 38.30 3hdx h PHE 335 CO -0.07 0.00 -1.61 1.03 -0.60 0.00 0.00 178.31 177.06 3hdx h SER 336 N 0.00 0.74 0.14 2.17 0.87 -0.79 -3.40 113.55 113.28 3hdx h SER 336 Ca 0.00 -0.93 -0.18 0.00 -1.23 0.00 0.00 61.79 59.45 3hdx h SER 336 Cb 0.76 -0.24 0.02 0.00 -0.44 0.00 0.00 62.40 62.50 3hdx h SER 336 CO 0.00 1.75 -0.80 0.40 -0.53 0.00 0.00 176.83 177.65 3hdx h ILE 337 N 0.12 1.51 -3.47 2.23 2.04 -1.01 -3.42 117.51 115.52 3hdx h ILE 337 Ca -0.30 -2.52 -0.72 0.00 1.00 0.00 0.00 64.86 62.32 3hdx h ILE 337 Cb 2.14 3.19 -0.21 0.00 -0.74 0.00 0.00 36.82 41.19 3hdx h ILE 337 CO 0.23 0.71 -0.38 -0.36 0.00 0.00 0.00 178.15 178.36 3hdx s PHE 338 N -2.46 3.23 -1.81 1.37 0.08 -0.30 -4.94 117.98 113.15 3hdx s PHE 338 Ca -0.14 -0.60 0.22 0.00 0.12 0.00 0.00 56.93 56.53 3hdx s PHE 338 Cb 0.01 -2.73 -0.04 0.00 -0.57 0.00 0.00 43.02 39.69 3hdx s PHE 338 CO 0.83 -0.64 1.03 0.25 -0.10 0.00 0.00 175.22 176.59 3hdx n THR 339 N 5.21 0.00 -3.99 0.64 -2.24 -1.26 -4.53 114.28 108.11 3hdx n THR 339 Ca -0.11 -0.23 -0.25 0.00 -2.27 0.00 0.00 64.05 61.19 3hdx n THR 339 Cb 0.47 1.21 -0.17 0.00 -2.10 0.00 0.00 70.33 69.74 3hdx n THR 339 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3hdx s ASN 340 N -2.49 1.87 0.37 3.42 3.84 -1.26 -5.02 114.94 115.67 3hdx s ASN 340 Ca 0.16 -0.23 0.27 0.00 0.21 0.00 0.00 52.86 53.26 3hdx s ASN 340 Cb 0.17 -0.71 1.31 0.00 -0.55 0.00 0.00 41.25 41.47 3hdx s ASN 340 CO 0.60 -0.11 1.81 2.19 -2.79 0.00 0.00 177.10 178.80 3hdx h PHE 341 N 7.95 0.00 0.00 0.43 -5.15 -1.90 -1.35 116.94 116.93 3hdx h PHE 341 Ca -0.29 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.48 3hdx h PHE 341 Cb 1.14 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.31 3hdx h PHE 341 CO 0.48 0.00 0.00 -0.25 -2.00 0.00 0.00 178.31 176.54 3hdx n ASP 342 N -2.45 0.00 -4.63 -0.68 8.00 -1.26 -4.41 116.55 111.12 3hdx n ASP 342 Ca -0.00 0.06 -0.43 0.00 0.71 0.00 0.00 54.79 55.13 3hdx n ASP 342 Cb 0.13 -0.35 -0.03 0.00 -0.02 0.00 0.00 41.12 40.85 3hdx n ASP 342 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3hdx n ASP 343 N -1.35 3.67 0.30 -2.24 -0.08 -0.51 -4.35 116.55 111.99 3hdx n ASP 343 Ca 0.11 0.54 0.16 0.00 -1.51 0.00 0.00 54.79 54.10 3hdx n ASP 343 Cb 0.25 -1.53 0.92 0.00 2.34 0.00 0.00 41.12 43.09 3hdx n ASP 343 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 3hdx h LEU 344 N 12.87 0.00 -0.81 -2.67 3.38 -1.39 -1.98 115.31 124.72 3hdx h LEU 344 Ca -0.45 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.39 3hdx h LEU 344 Cb 1.24 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.97 3hdx h LEU 344 CO 0.95 0.04 -0.60 0.03 0.09 0.00 0.00 178.44 178.96 3hdx h ARG 345 N 0.00 0.00 -1.59 1.13 3.08 -1.89 -3.38 114.38 111.73 3hdx h ARG 345 Ca -0.00 -0.00 -0.44 0.00 0.07 0.00 0.00 59.98 59.61 3hdx h ARG 345 Cb 0.15 0.00 -0.30 0.00 0.08 0.00 0.00 29.97 29.89 3hdx h ARG 345 CO 0.01 0.60 -0.85 0.34 -1.07 0.00 0.00 179.97 178.99 3hdx n PHE 346 N -3.83 -1.71 0.00 3.04 7.35 -0.81 -1.41 117.46 120.09 3hdx n PHE 346 Ca -0.01 -2.76 0.00 0.00 -0.76 0.00 0.00 57.45 53.91 3hdx n PHE 346 Cb 0.60 0.52 0.00 0.00 0.35 0.00 0.00 39.48 40.94 3hdx n PHE 346 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3hdx n GLY 347 N 2.19 -0.25 3.69 7.13 0.00 -0.83 -4.60 105.19 112.52 3hdx n GLY 347 Ca 0.21 0.49 -0.40 0.00 0.00 0.00 0.00 46.02 46.32 3hdx n GLY 347 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3hdx n ILE 348 N 0.00 3.04 -1.70 -0.61 0.13 -1.26 -4.80 119.36 114.16 3hdx n ILE 348 Ca 0.00 -0.50 -0.38 0.00 -1.10 0.00 0.00 62.75 60.77 3hdx n ILE 348 Cb 0.00 -1.51 0.05 0.00 -0.84 0.00 0.00 39.64 37.34 3hdx n ILE 348 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3hdx n ILE 349 N -0.66 4.01 -3.41 9.51 3.06 -1.26 -3.89 119.36 126.72 3hdx n ILE 349 Ca 0.09 -0.50 -0.34 0.00 -2.50 0.00 0.00 62.75 59.49 3hdx n ILE 349 Cb 0.42 -1.46 -0.05 0.00 0.54 0.00 0.00 39.64 39.08 3hdx n ILE 349 CO 0.00 0.00 0.00 -0.67 -2.50 0.00 0.00 176.55 173.38 3hdx n ASP 350 N -1.08 4.61 0.00 9.51 2.03 -1.26 -4.83 116.55 125.53 3hdx n ASP 350 Ca 0.13 -3.32 0.00 0.00 0.52 0.00 0.00 54.79 52.12 3hdx n ASP 350 Cb 0.46 -0.97 0.00 0.00 -0.72 0.00 0.00 41.12 39.89 3hdx n ASP 350 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 3hdx n THR 351 N 1.53 0.00 -3.07 5.18 -1.04 -1.26 -4.87 114.28 110.76 3hdx n THR 351 Ca 0.26 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.94 3hdx n THR 351 Cb 0.37 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.82 3hdx n THR 351 CO 0.00 0.00 0.00 0.27 -0.64 0.00 0.00 175.07 174.70 3hdx s ILE 352 N 0.00 4.60 0.36 12.58 -4.36 -1.26 -5.00 121.20 128.12 3hdx s ILE 352 Ca 0.00 1.10 -0.28 0.00 -0.26 0.00 0.00 60.65 61.20 3hdx s ILE 352 Cb 0.00 -3.63 -0.11 0.00 1.25 0.00 0.00 42.46 39.96 3hdx s ILE 352 CO 0.00 -0.18 1.51 1.17 0.24 0.00 0.00 174.94 177.68 3hdx n LYS 353 N -0.33 2.67 -1.66 0.37 4.81 -1.26 -2.34 118.16 120.43 3hdx n LYS 353 Ca 0.04 0.94 -0.12 0.00 -0.87 0.00 0.00 58.31 58.30 3hdx n LYS 353 Cb 0.53 -2.68 -0.03 0.00 0.02 0.00 0.00 35.03 32.87 3hdx n LYS 353 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3hdx n TYR 354 N 0.83 -0.20 -3.92 5.64 4.01 -1.26 -4.72 117.16 117.53 3hdx n TYR 354 Ca 0.03 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.54 3hdx n TYR 354 Cb 0.38 -2.35 -0.05 0.00 -0.31 0.00 0.00 39.34 37.01 3hdx n TYR 354 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 3hdx s SER 355 N -2.73 4.77 0.31 7.72 1.04 -0.99 -1.07 113.70 122.76 3hdx s SER 355 Ca 0.00 -0.83 -0.05 0.00 0.48 0.00 0.00 55.95 55.55 3hdx s SER 355 Cb 0.00 -0.63 -0.00 0.00 0.10 0.00 0.00 66.02 65.48 3hdx s SER 355 CO 0.00 -0.48 0.45 -0.94 0.98 0.00 0.00 173.24 173.25 3hdx s SER 356 N -3.96 0.55 0.39 7.02 1.04 0.02 -4.10 113.70 114.67 3hdx s SER 356 Ca 0.42 -1.32 0.15 0.00 0.48 0.00 0.00 55.95 55.68 3hdx s SER 356 Cb -0.01 0.62 0.79 0.00 0.10 0.00 0.00 66.02 67.52 3hdx s SER 356 CO 0.25 -1.22 1.84 1.88 0.98 0.00 0.00 173.24 176.97 3hdx h TYR 357 N 2.19 0.00 0.00 5.02 0.05 -1.67 -3.21 116.97 119.35 3hdx h TYR 357 Ca -0.28 0.00 -0.23 0.00 0.05 0.00 0.00 58.73 58.27 3hdx h TYR 357 Cb 1.24 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.94 3hdx h TYR 357 CO 1.09 0.35 -1.94 0.66 -1.05 0.00 0.00 178.16 177.26 3hdx n TYR 358 N -4.00 0.41 -4.07 4.88 4.02 -0.50 -4.27 117.16 113.63 3hdx n TYR 358 Ca -0.02 0.14 -0.15 0.00 -0.01 0.00 0.00 57.90 57.87 3hdx n TYR 358 Cb 0.40 -0.95 -0.14 0.00 -0.02 0.00 0.00 39.34 38.62 3hdx n TYR 358 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3hdx s VAL 359 N -2.83 0.28 0.39 -0.72 1.01 -1.21 -0.57 120.40 116.75 3hdx s VAL 359 Ca -0.07 -0.15 0.08 0.00 0.00 0.00 0.00 61.98 61.84 3hdx s VAL 359 Cb 0.09 -0.25 -0.07 0.00 0.00 0.00 0.00 36.38 36.14 3hdx s VAL 359 CO 0.84 0.08 -0.00 -1.10 0.00 0.00 0.00 175.10 174.92 3hdx s GLN 360 N -0.05 1.95 -1.18 2.72 -0.21 0.00 -0.80 119.66 122.09 3hdx s GLN 360 Ca 0.01 -2.05 -0.07 0.00 0.02 0.00 0.00 55.36 53.27 3hdx s GLN 360 Cb -0.02 -1.68 0.01 0.00 1.00 0.00 0.00 33.01 32.32 3hdx s GLN 360 CO -0.00 -0.01 1.03 0.09 -2.12 0.00 0.00 175.29 174.28 3hdx n ASN 361 N -0.94 -5.48 0.14 5.90 3.02 -1.04 -1.07 115.26 115.78 3hdx n ASN 361 Ca -0.05 -0.48 0.11 0.00 -0.03 0.00 0.00 54.58 54.13 3hdx n ASN 361 Cb 0.66 -4.50 0.52 0.00 -0.61 0.00 0.00 39.78 35.86 3hdx n ASN 361 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3hdx n LEU 362 N -4.40 0.62 0.16 3.41 4.77 -0.23 -1.17 117.00 120.16 3hdx n LEU 362 Ca -0.02 0.70 0.13 0.00 -0.03 0.00 0.00 56.01 56.79 3hdx n LEU 362 Cb 0.56 -0.67 0.40 0.00 -2.33 0.00 0.00 43.42 41.39 3hdx n LEU 362 CO 0.57 -0.71 0.88 -0.55 -1.33 0.00 0.00 177.39 176.25 3hdx h ASN 363 N 0.00 0.00 -2.62 -1.43 -1.07 -1.90 -3.47 115.58 105.09 3hdx h ASN 363 Ca 0.00 0.00 -0.46 0.00 0.07 0.00 0.00 56.30 55.91 3hdx h ASN 363 Cb 0.23 0.00 0.03 0.00 -2.07 0.00 0.00 38.32 36.50 3hdx h ASN 363 CO 0.00 0.00 -0.13 -1.61 0.07 0.00 0.00 177.43 175.76 3hdx s GLU 364 N -3.23 3.07 0.33 4.14 0.41 -0.32 -5.02 118.70 118.07 3hdx s GLU 364 Ca 0.07 -0.56 0.15 0.00 -0.41 0.00 0.00 54.97 54.22 3hdx s GLU 364 Cb 0.10 -2.59 0.54 0.00 -1.78 0.00 0.00 34.13 30.40 3hdx s GLU 364 CO 0.56 -0.23 1.69 0.93 -0.49 0.00 0.00 175.26 177.72 3hdx h GLU 365 N 0.46 0.00 -3.09 1.61 3.07 -1.90 -3.35 114.58 111.37 3hdx h GLU 365 Ca -0.46 0.00 -0.62 0.00 -0.50 0.00 0.00 59.36 57.78 3hdx h GLU 365 Cb 1.25 0.00 -0.42 0.00 -0.84 0.00 0.00 28.75 28.75 3hdx h GLU 365 CO 0.57 0.48 -0.60 0.95 -1.40 0.00 0.00 179.01 179.01 3hdx s THR 366 N -3.64 2.74 0.67 1.13 -4.23 -1.26 -4.78 115.64 106.26 3hdx s THR 366 Ca -0.01 -4.07 -0.17 0.00 -1.18 0.00 0.00 61.69 56.26 3hdx s THR 366 Cb 0.12 -2.81 0.00 0.00 1.34 0.00 0.00 72.50 71.15 3hdx s THR 366 CO 0.72 -0.99 1.27 -2.16 -0.54 0.00 0.00 174.62 172.92 3hdx s PRO 367 N -1.23 2.47 -0.21 3.99 0.05 -1.26 -4.87 135.00 133.95 3hdx s PRO 367 Ca 0.24 1.97 -0.16 0.00 0.05 0.00 0.00 61.00 63.11 3hdx s PRO 367 Cb -0.07 -1.85 -0.04 0.00 0.05 0.00 0.00 34.50 32.59 3hdx s PRO 367 CO -0.14 -1.64 0.39 0.08 0.05 0.00 0.00 177.00 175.74 3hdx s VAL 368 N -1.56 5.20 -0.64 -0.36 1.01 -0.23 -4.49 120.40 119.33 3hdx s VAL 368 Ca 0.80 0.69 -0.27 0.00 0.00 0.00 0.00 61.98 63.20 3hdx s VAL 368 Cb -0.35 -3.72 0.01 0.00 0.00 0.00 0.00 36.38 32.32 3hdx s VAL 368 CO 0.40 0.24 1.50 0.12 0.00 0.00 0.00 175.10 177.37 3hdx s PHE 369 N 1.39 2.09 -1.39 5.22 5.36 -1.26 -0.82 117.98 128.57 3hdx s PHE 369 Ca 0.19 0.37 0.16 0.00 -0.96 0.00 0.00 56.93 56.68 3hdx s PHE 369 Cb -0.15 -4.39 0.43 0.00 -0.34 0.00 0.00 43.02 38.57 3hdx s PHE 369 CO 0.08 -2.13 1.35 -1.13 -1.46 0.00 0.00 175.22 171.93 3hdx n SER 370 N 10.45 3.29 -0.22 6.13 3.41 0.26 -4.56 113.62 132.38 3hdx n SER 370 Ca 0.11 -1.98 0.01 0.00 -0.26 0.00 0.00 58.87 56.75 3hdx n SER 370 Cb 0.50 -0.32 0.09 0.00 -0.26 0.00 0.00 64.21 64.22 3hdx n SER 370 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 3hdx h LYS 371 N 2.97 0.04 -4.85 4.33 3.64 -1.58 -3.36 116.57 117.76 3hdx h LYS 371 Ca 0.00 -0.00 -0.67 0.00 -1.27 0.00 0.00 60.65 58.71 3hdx h LYS 371 Cb 0.83 -0.01 -0.24 0.00 -0.41 0.00 0.00 32.23 32.40 3hdx h LYS 371 CO 0.00 0.03 -0.61 0.42 -2.27 0.00 0.00 179.45 177.01 3hdx s ILE 372 N -6.19 4.18 -0.43 2.00 1.01 -1.26 -4.46 121.20 116.04 3hdx s ILE 372 Ca -0.14 -0.46 0.08 0.00 0.00 0.00 0.00 60.65 60.13 3hdx s ILE 372 Cb 0.20 -3.08 0.33 0.00 0.01 0.00 0.00 42.46 39.92 3hdx s ILE 372 CO 0.74 0.17 1.01 2.29 0.00 0.00 0.00 174.94 179.15 3hdx n LYS 373 N 4.91 1.01 -3.11 2.79 2.85 -1.26 -4.66 118.16 120.69 3hdx n LYS 373 Ca -0.15 -2.38 -0.45 0.00 -1.05 0.00 0.00 58.31 54.28 3hdx n LYS 373 Cb 0.49 -1.19 -0.02 0.00 -0.65 0.00 0.00 35.03 33.66 3hdx n LYS 373 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 3hdx s ILE 374 N -0.59 5.22 -0.24 0.58 -1.09 -1.26 -4.58 121.20 119.23 3hdx s ILE 374 Ca 0.27 -2.23 -0.08 0.00 -2.23 0.00 0.00 60.65 56.38 3hdx s ILE 374 Cb 0.32 -4.67 -0.04 0.00 -1.58 0.00 0.00 42.46 36.49 3hdx s ILE 374 CO -0.06 -1.32 0.09 -0.63 -1.23 0.00 0.00 174.94 171.79 3hdx s ILE 375 N 1.23 4.62 -0.05 2.92 1.01 -1.26 -0.74 121.20 128.93 3hdx s ILE 375 Ca 0.29 -0.07 -0.24 0.00 0.00 0.00 0.00 60.65 60.62 3hdx s ILE 375 Cb -0.07 -3.16 -0.19 0.00 0.01 0.00 0.00 42.46 39.06 3hdx s ILE 375 CO -0.08 0.34 1.03 0.06 0.00 0.00 0.00 174.94 176.29 3hdx h GLN 376 N 7.97 -0.10 -3.34 2.79 -0.00 -1.95 -3.48 115.11 117.00 3hdx h GLN 376 Ca -0.37 0.01 -0.06 0.00 -0.00 0.00 0.00 58.65 58.23 3hdx h GLN 376 Cb 1.18 0.02 -0.04 0.00 -0.00 0.00 0.00 27.48 28.64 3hdx h GLN 376 CO 0.59 0.42 0.10 0.20 -0.00 0.00 0.00 178.83 180.15 3hdx s GLY 386 N -3.35 0.53 -0.11 0.06 0.00 -1.26 -4.92 107.32 98.27 3hdx s GLY 386 Ca -0.15 -0.84 0.04 0.00 0.00 0.00 0.00 44.72 43.77 3hdx s GLY 386 CO 0.59 -0.46 -0.23 0.14 0.00 0.00 0.00 173.10 173.13 3hdx s VAL 387 N -3.10 2.08 0.17 1.40 1.01 -1.26 -5.06 120.40 115.64 3hdx s VAL 387 Ca 0.19 -1.00 0.11 0.00 0.00 0.00 0.00 61.98 61.28 3hdx s VAL 387 Cb -0.04 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 3hdx s VAL 387 CO 0.12 0.56 -0.24 -0.36 0.00 0.00 0.00 175.10 175.18 3hdx s PHE 388 N 0.47 2.34 -0.00 5.22 0.08 -1.26 -4.61 117.98 120.21 3hdx s PHE 388 Ca -0.16 -0.35 0.01 0.00 0.12 0.00 0.00 56.93 56.55 3hdx s PHE 388 Cb -0.17 -1.20 0.01 0.00 -0.57 0.00 0.00 43.02 41.09 3hdx s PHE 388 CO 0.06 0.44 0.98 0.41 -0.10 0.00 0.00 175.22 177.02 3hdx n GLY 389 N 0.48 2.80 3.75 4.36 0.00 0.08 -4.86 105.19 111.80 3hdx n GLY 389 Ca -0.14 -0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 3hdx n GLY 389 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hdx s SER 390 N -1.02 6.58 0.42 1.61 1.04 -1.26 -4.42 113.70 116.65 3hdx s SER 390 Ca 0.01 2.76 -0.22 0.00 0.48 0.00 0.00 55.95 58.98 3hdx s SER 390 Cb 0.01 -2.63 -0.10 0.00 0.10 0.00 0.00 66.02 63.40 3hdx s SER 390 CO 0.00 -0.74 0.97 -0.44 0.98 0.00 0.00 173.24 174.01 3hdx s SER 391 N 0.27 6.89 0.03 7.02 0.01 0.37 -4.68 113.70 123.62 3hdx s SER 391 Ca 0.59 1.79 -0.30 0.00 1.31 0.00 0.00 55.95 59.33 3hdx s SER 391 Cb -0.43 -2.55 -0.05 0.00 0.21 0.00 0.00 66.02 63.19 3hdx s SER 391 CO 0.47 -0.39 1.21 -0.63 0.41 0.00 0.00 173.24 174.30 3hdx s ILE 392 N -2.00 4.06 -0.44 1.44 1.01 0.07 -4.89 121.20 120.44 3hdx s ILE 392 Ca 0.60 1.46 -0.01 0.00 0.00 0.00 0.00 60.65 62.70 3hdx s ILE 392 Cb -0.13 -3.94 0.12 0.00 0.01 0.00 0.00 42.46 38.52 3hdx s ILE 392 CO 0.17 0.08 0.23 -0.69 0.00 0.00 0.00 174.94 174.73 3hdx s VAL 393 N 1.38 3.17 0.08 2.92 1.01 -1.26 -1.07 120.40 126.63 3hdx s VAL 393 Ca 0.58 -2.33 -0.18 0.00 0.00 0.00 0.00 61.98 60.05 3hdx s VAL 393 Cb -0.29 -3.17 -0.09 0.00 0.00 0.00 0.00 36.38 32.83 3hdx s VAL 393 CO 0.28 -0.72 1.50 0.15 0.00 0.00 0.00 175.10 176.31 3hdx h PHE 394 N 7.71 0.49 -3.52 5.22 3.57 -0.99 -3.47 116.94 125.95 3hdx h PHE 394 Ca -0.09 -0.09 -0.06 0.00 3.53 0.00 0.00 57.97 61.25 3hdx h PHE 394 Cb 1.02 -0.13 -0.12 0.00 2.79 0.00 0.00 35.95 39.51 3hdx h PHE 394 CO 0.56 0.64 -0.14 -0.08 -2.23 0.00 0.00 178.31 177.06 3hdx s THR 395 N -4.90 0.07 0.29 4.41 -1.32 -0.97 -4.99 115.64 108.22 3hdx s THR 395 Ca -0.14 -0.84 -0.19 0.00 -1.21 0.00 0.00 61.69 59.31 3hdx s THR 395 Cb 0.07 -1.38 0.02 0.00 -1.51 0.00 0.00 72.50 69.70 3hdx s THR 395 CO 0.75 -0.33 0.68 0.00 -2.21 0.00 0.00 174.62 173.52 3hdx s ARG 396 N -3.85 1.80 0.43 7.08 1.70 -1.26 -1.87 118.95 122.97 3hdx s ARG 396 Ca 0.07 -1.09 0.11 0.00 -0.47 0.00 0.00 55.73 54.35 3hdx s ARG 396 Cb 0.02 0.59 0.97 0.00 -0.57 0.00 0.00 34.95 35.95 3hdx s ARG 396 CO -0.08 -0.81 2.03 1.25 -1.08 0.00 0.00 175.30 176.60 3hdx h LEU 397 N 2.04 0.39 -0.65 -1.89 5.85 -1.79 -1.58 115.31 117.69 3hdx h LEU 397 Ca -0.22 -0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.42 3hdx h LEU 397 Cb 1.25 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.17 3hdx h LEU 397 CO 0.27 0.26 0.08 -0.33 -0.34 0.00 0.00 178.44 178.38 3hdx h GLU 398 N 0.45 1.09 0.29 1.25 3.07 -1.96 0.49 114.58 119.25 3hdx h GLU 398 Ca 0.20 -0.30 -0.01 0.00 -0.50 0.00 0.00 59.36 58.75 3hdx h GLU 398 Cb 0.23 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.01 3hdx h GLU 398 CO -0.05 1.01 -0.20 0.22 -1.40 0.00 0.00 179.01 178.59 3hdx h ASP 399 N 1.00 -0.51 -0.32 1.42 3.58 -1.71 -1.33 116.42 118.55 3hdx h ASP 399 Ca 0.19 0.04 -0.05 0.00 0.42 0.00 0.00 57.03 57.63 3hdx h ASP 399 Cb 0.47 0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.66 3hdx h ASP 399 CO 0.02 -0.31 0.05 0.40 -2.88 0.00 0.00 179.24 176.51 3hdx h ILE 400 N -0.48 1.21 -0.47 2.25 1.08 -1.23 0.13 117.51 120.00 3hdx h ILE 400 Ca -0.02 -0.79 -0.09 0.00 -0.39 0.00 0.00 64.86 63.57 3hdx h ILE 400 Cb 0.41 0.84 -0.02 0.00 -3.07 0.00 0.00 36.82 34.99 3hdx h ILE 400 CO 0.01 0.28 -0.05 0.74 -0.69 0.00 0.00 178.15 178.44 3hdx h THR 401 N 0.61 1.27 -0.10 -0.27 2.02 -0.84 -0.18 112.91 115.42 3hdx h THR 401 Ca 0.13 -1.15 -0.14 0.00 0.77 0.00 0.00 66.41 66.02 3hdx h THR 401 Cb 0.31 1.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.78 3hdx h THR 401 CO 0.01 0.40 -0.56 -0.07 0.37 0.00 0.00 175.52 175.66 3hdx h LEU 402 N 0.70 0.34 -0.50 2.58 3.38 -0.80 -2.15 115.31 118.87 3hdx h LEU 402 Ca 0.13 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 3hdx h LEU 402 Cb 0.58 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 3hdx h LEU 402 CO 0.03 0.83 0.23 0.25 0.09 0.00 0.00 178.44 179.88 3hdx h LEU 403 N 0.23 0.67 -0.58 1.67 5.85 -0.50 -0.83 115.31 121.82 3hdx h LEU 403 Ca 0.00 -0.14 0.04 0.00 0.84 0.00 0.00 57.88 58.62 3hdx h LEU 403 Cb 1.06 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.88 3hdx h LEU 403 CO 0.09 0.62 0.33 -0.09 -0.34 0.00 0.00 178.44 179.05 3hdx h ARG 404 N 0.67 0.61 -0.28 1.25 2.43 -0.78 0.07 114.38 118.35 3hdx h ARG 404 Ca 0.17 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.34 3hdx h ARG 404 Cb 0.14 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.52 3hdx h ARG 404 CO -0.02 0.41 0.09 0.00 -1.51 0.00 0.00 179.97 178.93 3hdx h ALA 405 N 1.28 0.31 -0.34 2.80 0.00 -0.89 -0.39 119.26 122.04 3hdx h ALA 405 Ca 0.25 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.25 3hdx h ALA 405 Cb 0.10 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 3hdx h ALA 405 CO -0.14 -0.32 0.03 1.49 0.00 0.00 0.00 179.25 180.31 3hdx h GLU 406 N 0.21 0.13 -0.67 0.00 4.81 -0.86 -1.50 114.58 116.70 3hdx h GLU 406 Ca 0.13 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.33 3hdx h GLU 406 Cb 0.10 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.42 3hdx h GLU 406 CO -0.14 0.08 0.35 0.00 -0.73 0.00 0.00 179.01 178.58 3hdx h ALA 407 N 1.28 0.87 -0.62 2.92 0.00 -0.69 -0.97 119.26 122.03 3hdx h ALA 407 Ca 0.16 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 3hdx h ALA 407 Cb 0.21 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3hdx h ALA 407 CO -0.25 0.40 0.15 -0.07 0.00 0.00 0.00 179.25 179.48 3hdx h LEU 408 N 0.93 0.94 -0.54 0.00 3.38 -0.78 -0.82 115.31 118.43 3hdx h LEU 408 Ca 0.23 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hdx h LEU 408 Cb 0.07 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 3hdx h LEU 408 CO -0.03 0.93 0.32 0.00 0.09 0.00 0.00 178.44 179.75 3hdx h ALA 410 N 1.16 1.87 -0.23 0.00 0.00 -0.46 -0.19 119.26 121.42 3hdx h ALA 410 Ca 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3hdx h ALA 410 Cb -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3hdx h ALA 410 CO -0.04 0.03 0.00 1.28 0.00 0.00 0.00 179.25 180.52 3hdx n LEU 411 N -4.47 1.32 -3.05 0.00 4.77 -0.38 -4.91 117.00 110.27 3hdx n LEU 411 Ca 0.08 -0.66 -0.21 0.00 -0.03 0.00 0.00 56.01 55.19 3hdx n LEU 411 Cb 0.26 -0.18 0.05 0.00 -2.33 0.00 0.00 43.42 41.22 3hdx n LEU 411 CO 0.34 0.31 0.11 0.59 -1.33 0.00 0.00 177.39 177.42 3hdx n ASN 412 N 0.17 -5.90 -2.44 -1.43 3.02 -0.08 -4.93 115.26 103.67 3hdx n ASN 412 Ca 0.08 -0.38 -0.23 0.00 -0.03 0.00 0.00 54.58 54.02 3hdx n ASN 412 Cb 0.22 -4.62 0.01 0.00 -0.61 0.00 0.00 39.78 34.78 3hdx n ASN 412 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3hdx n ARG 413 N -4.19 3.07 -0.22 3.52 1.74 0.35 -4.92 116.66 116.02 3hdx n ARG 413 Ca -0.05 -4.23 0.05 0.00 -0.77 0.00 0.00 57.85 52.85 3hdx n ARG 413 Cb 0.58 -2.09 0.31 0.00 -1.02 0.00 0.00 32.46 30.25 3hdx n ARG 413 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 3hdx h SER 414 N 2.57 0.75 -0.93 0.55 0.02 -1.84 -2.05 113.55 112.63 3hdx h SER 414 Ca 0.24 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 61.20 3hdx h SER 414 Cb 1.08 -0.16 -0.05 0.00 0.14 0.00 0.00 62.40 63.41 3hdx h SER 414 CO 0.76 0.49 0.61 0.71 -1.14 0.00 0.00 176.83 178.26 3hdx h THR 415 N 0.86 1.24 -0.07 -2.27 1.35 -1.94 -1.70 112.91 110.38 3hdx h THR 415 Ca 0.33 -0.47 -0.11 0.00 -0.55 0.00 0.00 66.41 65.61 3hdx h THR 415 Cb 0.21 -0.12 -0.01 0.00 -1.73 0.00 0.00 68.15 66.50 3hdx h THR 415 CO -0.11 0.24 -0.46 -0.33 -0.25 0.00 0.00 175.52 174.61 3hdx h GLU 416 N 1.27 0.18 -0.44 4.72 5.08 -1.78 -3.11 114.58 120.50 3hdx h GLU 416 Ca 0.34 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.59 3hdx h GLU 416 Cb -0.13 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 3hdx h GLU 416 CO -0.07 0.61 0.19 0.00 -1.00 0.00 0.00 179.01 178.74 3hdx h ALA 417 N 1.38 1.52 -0.96 3.43 0.00 -0.95 -3.05 119.26 120.63 3hdx h ALA 417 Ca 0.01 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.84 3hdx h ALA 417 Cb 0.87 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 3hdx h ALA 417 CO 0.07 0.38 0.63 0.28 0.00 0.00 0.00 179.25 180.61 3hdx h VAL 418 N 0.61 1.19 -0.77 0.00 2.07 -1.42 -1.76 116.25 116.17 3hdx h VAL 418 Ca 0.15 -0.42 0.09 0.00 0.82 0.00 0.00 66.70 67.34 3hdx h VAL 418 Cb 0.09 -0.16 -0.07 0.00 -1.52 0.00 0.00 31.29 29.64 3hdx h VAL 418 CO -0.02 0.23 0.42 0.28 0.02 0.00 0.00 177.57 178.50 3hdx h SER 419 N 1.24 0.59 -0.22 0.57 0.02 -1.69 0.15 113.55 114.22 3hdx h SER 419 Ca 0.37 0.05 -0.13 0.00 -0.84 0.00 0.00 61.79 61.25 3hdx h SER 419 Cb -0.04 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 62.44 3hdx h SER 419 CO -0.11 0.35 -0.35 1.88 -1.14 0.00 0.00 176.83 177.45 3hdx h TYR 420 N 0.72 0.78 -0.38 3.45 0.05 -1.48 -2.97 116.97 117.14 3hdx h TYR 420 Ca 0.37 -0.27 0.06 0.00 0.05 0.00 0.00 58.73 58.94 3hdx h TYR 420 Cb 0.34 -0.15 -0.05 0.00 1.01 0.00 0.00 36.73 37.88 3hdx h TYR 420 CO -0.08 1.01 0.08 1.25 -1.05 0.00 0.00 178.16 179.38 3hdx h LEU 421 N 0.32 0.03 -4.08 3.88 5.85 -1.04 -3.24 115.31 117.02 3hdx h LEU 421 Ca 0.02 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 3hdx h LEU 421 Cb 0.94 0.08 -0.00 0.00 0.37 0.00 0.00 40.66 42.05 3hdx h LEU 421 CO 0.08 0.05 0.05 0.59 -0.34 0.00 0.00 178.44 178.87 3hdx n ASN 422 N -5.08 0.05 0.00 1.25 3.02 0.01 -1.79 115.26 112.72 3hdx n ASN 422 Ca 0.02 -1.06 0.00 0.00 -0.03 0.00 0.00 54.58 53.51 3hdx n ASN 422 Cb 0.17 -0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.33 3hdx n ASN 422 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 3hdx n ILE 424 N 2.09 0.00 -0.14 2.41 2.08 -1.22 -1.01 119.36 123.56 3hdx n ILE 424 Ca 0.00 0.00 -0.03 0.00 0.56 0.00 0.00 62.75 63.28 3hdx n ILE 424 Cb 0.00 0.00 0.05 0.00 -0.75 0.00 0.00 39.64 38.95 3hdx n ILE 424 CO 0.00 0.00 0.00 0.03 0.56 0.00 0.00 176.55 177.14 3hdx h ARG 425 N 0.00 0.17 0.00 0.38 3.08 -1.67 -2.06 114.38 114.28 3hdx h ARG 425 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3hdx h ARG 425 Cb 0.00 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.01 3hdx h ARG 425 CO 0.00 0.11 0.00 0.25 -1.07 0.00 0.00 179.97 179.26 3hdx n THR 426 N -5.15 0.68 0.48 2.04 -2.24 -0.18 -1.10 114.28 108.81 3hdx n THR 426 Ca 0.04 0.13 0.11 0.00 -2.27 0.00 0.00 64.05 62.06 3hdx n THR 426 Cb 0.23 -0.87 0.27 0.00 -2.10 0.00 0.00 70.33 67.86 3hdx n THR 426 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3hdx n ASN 427 N -1.71 2.89 -0.69 3.42 5.15 -0.79 -4.29 115.26 119.24 3hdx n ASN 427 Ca 0.04 -1.93 0.05 0.00 -0.60 0.00 0.00 54.58 52.14 3hdx n ASN 427 Cb 0.25 -0.27 0.09 0.00 -0.53 0.00 0.00 39.78 39.33 3hdx n ASN 427 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3hdx n ARG 428 N 1.10 0.71 -0.97 1.20 5.12 -0.25 -4.61 116.66 118.96 3hdx n ARG 428 Ca 0.19 -2.24 0.00 0.00 -1.93 0.00 0.00 57.85 53.87 3hdx n ARG 428 Cb 0.50 -0.89 0.00 0.00 -1.16 0.00 0.00 32.46 30.90 3hdx n ARG 428 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3hdx n GLY 429 N -0.50 0.53 3.90 -0.13 0.00 -1.15 -1.00 105.19 106.84 3hdx n GLY 429 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 3hdx n GLY 429 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hdx s LEU 430 N 0.00 4.36 0.71 0.99 1.43 -0.69 -4.57 118.68 120.91 3hdx s LEU 430 Ca 0.00 0.43 -0.14 0.00 -1.03 0.00 0.00 54.13 53.39 3hdx s LEU 430 Cb 0.00 -2.68 0.03 0.00 0.03 0.00 0.00 46.19 43.56 3hdx s LEU 430 CO 0.00 0.24 1.13 0.00 0.23 0.00 0.00 176.35 177.95 3hdx s ARG 431 N -1.94 2.48 0.48 1.70 1.70 -1.26 -3.51 118.95 118.61 3hdx s ARG 431 Ca 0.28 1.43 -0.23 0.00 -0.47 0.00 0.00 55.73 56.74 3hdx s ARG 431 Cb -0.13 -1.91 -0.07 0.00 -0.57 0.00 0.00 34.95 32.28 3hdx s ARG 431 CO 0.18 -1.50 1.32 -1.21 -1.08 0.00 0.00 175.30 173.01 3hdx s GLU 432 N -4.23 3.53 0.28 3.89 2.02 -1.26 -4.77 118.70 118.16 3hdx s GLU 432 Ca 0.67 2.16 0.08 0.00 0.02 0.00 0.00 54.97 57.91 3hdx s GLU 432 Cb -0.22 -2.46 -0.04 0.00 0.10 0.00 0.00 34.13 31.51 3hdx s GLU 432 CO 0.46 -0.85 0.11 0.14 0.02 0.00 0.00 175.26 175.13 3hdx s VAL 433 N -1.32 3.69 0.01 2.63 -7.23 -1.26 -5.13 120.40 111.79 3hdx s VAL 433 Ca 0.65 -1.68 0.05 0.00 -1.81 0.00 0.00 61.98 59.19 3hdx s VAL 433 Cb -0.38 -3.07 -0.02 0.00 0.56 0.00 0.00 36.38 33.48 3hdx s VAL 433 CO 0.47 -0.32 -0.16 -0.44 -0.31 0.00 0.00 175.10 174.34 3hdx s SER 434 N -3.78 1.85 0.16 4.85 0.01 -1.26 -4.96 113.70 110.57 3hdx s SER 434 Ca 0.34 -0.36 -0.15 0.00 1.31 0.00 0.00 55.95 57.08 3hdx s SER 434 Cb -0.06 -0.17 0.05 0.00 0.21 0.00 0.00 66.02 66.04 3hdx s SER 434 CO 0.22 0.14 1.81 0.15 0.41 0.00 0.00 173.24 175.98 3hdx h PHE 435 N 5.40 0.52 0.16 2.43 3.57 -1.94 -1.00 116.94 126.09 3hdx h PHE 435 Ca -0.37 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.14 3hdx h PHE 435 Cb 1.16 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.73 3hdx h PHE 435 CO 0.45 0.32 -0.08 -0.22 -2.23 0.00 0.00 178.31 176.55 3hdx h LYS 436 N 0.56 -0.21 -0.49 1.11 3.64 -1.92 -1.27 116.57 117.99 3hdx h LYS 436 Ca 0.17 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.57 3hdx h LYS 436 Cb -0.03 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 3hdx h LYS 436 CO -0.06 0.19 0.33 -0.22 -2.27 0.00 0.00 179.45 177.42 3hdx h LYS 437 N -0.91 0.64 0.00 1.90 3.64 -1.97 -0.69 116.57 119.19 3hdx h LYS 437 Ca -0.02 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.30 3hdx h LYS 437 Cb 0.50 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.17 3hdx h LYS 437 CO 0.04 0.43 -1.81 -0.25 -2.27 0.00 0.00 179.45 175.59 3hdx n ASP 438 N -4.75 0.19 0.00 4.20 8.00 -0.38 -4.56 116.55 119.26 3hdx n ASP 438 Ca 0.02 0.07 0.00 0.00 0.71 0.00 0.00 54.79 55.60 3hdx n ASP 438 Cb 0.02 1.60 0.00 0.00 -0.02 0.00 0.00 41.12 42.72 3hdx n ASP 438 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3hdx n PHE 439 N -2.38 0.00 -2.48 1.24 3.72 -0.73 -5.02 117.46 111.82 3hdx n PHE 439 Ca -0.05 -0.03 -0.19 0.00 -0.05 0.00 0.00 57.45 57.13 3hdx n PHE 439 Cb 0.60 -0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.13 3hdx n PHE 439 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hdx n GLY 440 N -0.03 -0.50 2.41 1.37 0.00 -0.26 -1.57 105.19 106.60 3hdx n GLY 440 Ca 0.00 0.01 -0.18 0.00 0.00 0.00 0.00 46.02 45.85 3hdx n GLY 440 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hdx n ASN 441 N -2.01 -5.21 -4.49 1.61 3.02 -0.56 -4.94 115.26 102.68 3hdx n ASN 441 Ca -0.21 0.08 -0.43 0.00 -0.03 0.00 0.00 54.58 53.99 3hdx n ASN 441 Cb 0.66 -4.38 -0.09 0.00 -0.61 0.00 0.00 39.78 35.36 3hdx n ASN 441 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3hdx s ASN 442 N -2.07 6.16 0.22 6.41 3.84 -0.61 -4.96 114.94 123.93 3hdx s ASN 442 Ca 0.00 -0.68 -0.07 0.00 0.21 0.00 0.00 52.86 52.32 3hdx s ASN 442 Cb 0.00 -2.20 0.31 0.00 -0.55 0.00 0.00 41.25 38.81 3hdx s ASN 442 CO 0.00 -0.50 1.81 -0.09 -2.79 0.00 0.00 177.10 175.53 3hdx h ARG 443 N 8.66 0.70 -0.32 0.43 2.43 -1.92 -2.12 114.38 122.23 3hdx h ARG 443 Ca -0.27 -0.04 -0.13 0.00 -0.81 0.00 0.00 59.98 58.73 3hdx h ARG 443 Cb 1.12 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.50 3hdx h ARG 443 CO 0.76 0.46 -0.32 0.93 -1.51 0.00 0.00 179.97 180.29 3hdx h GLU 444 N 0.72 0.70 -0.60 0.20 5.08 -1.96 0.15 114.58 118.87 3hdx h GLU 444 Ca 0.34 -0.32 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3hdx h GLU 444 Cb 0.27 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 3hdx h GLU 444 CO -0.22 0.92 0.32 1.03 -1.00 0.00 0.00 179.01 180.07 3hdx h SER 445 N 0.59 0.75 -0.37 1.42 0.87 -1.78 -0.04 113.55 115.00 3hdx h SER 445 Ca 0.07 -0.10 -0.08 0.00 -1.23 0.00 0.00 61.79 60.44 3hdx h SER 445 Cb 0.84 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.59 3hdx h SER 445 CO 0.07 0.64 -0.08 0.25 -0.53 0.00 0.00 176.83 177.18 3hdx h LEU 446 N 0.81 0.71 -0.52 2.23 5.85 -1.06 -2.07 115.31 121.26 3hdx h LEU 446 Ca 0.21 -0.36 0.05 0.00 0.84 0.00 0.00 57.88 58.62 3hdx h LEU 446 Cb 0.06 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 40.85 3hdx h LEU 446 CO -0.03 0.90 0.24 0.40 -0.34 0.00 0.00 178.44 179.61 3hdx h ILE 447 N 0.50 0.91 -0.71 4.05 2.04 -0.68 -0.47 117.51 123.16 3hdx h ILE 447 Ca 0.09 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.79 3hdx h ILE 447 Cb 0.59 0.41 -0.03 0.00 -0.74 0.00 0.00 36.82 37.04 3hdx h ILE 447 CO 0.03 0.09 0.44 0.00 0.00 0.00 0.00 178.15 178.71 3hdx h ALA 448 N 1.30 0.90 -0.50 1.87 0.00 -0.88 -1.75 119.26 120.19 3hdx h ALA 448 Ca 0.24 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 3hdx h ALA 448 Cb 0.18 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3hdx h ALA 448 CO -0.19 0.35 -0.09 1.49 0.00 0.00 0.00 179.25 180.81 3hdx h GLU 449 N 0.96 0.92 -0.58 0.00 4.57 -0.80 -1.11 114.58 118.53 3hdx h GLU 449 Ca 0.26 -0.31 0.04 0.00 -1.18 0.00 0.00 59.36 58.16 3hdx h GLU 449 Cb -0.06 -0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 28.41 3hdx h GLU 449 CO -0.05 0.96 0.33 0.82 -1.18 0.00 0.00 179.01 179.90 3hdx h ILE 450 N 0.83 1.01 -0.15 2.32 2.04 -0.62 0.74 117.51 123.68 3hdx h ILE 450 Ca 0.14 -0.22 -0.06 0.00 1.00 0.00 0.00 64.86 65.71 3hdx h ILE 450 Cb 0.61 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 3hdx h ILE 450 CO 0.04 0.12 -0.19 -0.26 0.00 0.00 0.00 178.15 177.86 3hdx h PHE 451 N 0.64 0.27 -0.26 1.37 0.04 -0.91 -0.73 116.94 117.35 3hdx h PHE 451 Ca 0.25 -0.04 -0.13 0.00 2.80 0.00 0.00 57.97 60.85 3hdx h PHE 451 Cb 0.09 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.16 3hdx h PHE 451 CO -0.07 0.43 -0.36 0.93 -0.60 0.00 0.00 178.31 178.64 3hdx h GLU 452 N 0.23 0.59 -0.45 1.51 4.39 -0.40 -0.36 114.58 120.08 3hdx h GLU 452 Ca 0.04 -0.28 -0.05 0.00 0.34 0.00 0.00 59.36 59.41 3hdx h GLU 452 Cb 0.47 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.10 3hdx h GLU 452 CO 0.03 0.86 0.08 1.49 -1.16 0.00 0.00 179.01 180.32 3hdx h GLU 453 N 0.49 0.74 -0.86 2.33 4.57 -0.43 -1.62 114.58 119.80 3hdx h GLU 453 Ca 0.05 -0.19 0.03 0.00 -1.18 0.00 0.00 59.36 58.07 3hdx h GLU 453 Cb 0.85 -0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 29.30 3hdx h GLU 453 CO 0.07 0.75 0.56 0.00 -1.18 0.00 0.00 179.01 179.21 3hdx h ARG 454 N 0.61 1.06 -0.57 1.92 3.08 -0.98 0.18 114.38 119.67 3hdx h ARG 454 Ca 0.14 -0.06 0.06 0.00 0.07 0.00 0.00 59.98 60.18 3hdx h ARG 454 Cb 0.36 -0.24 -0.05 0.00 0.08 0.00 0.00 29.97 30.12 3hdx h ARG 454 CO 0.01 0.70 0.28 -0.09 -1.07 0.00 0.00 179.97 179.80 3hdx h ARG 455 N 1.09 0.51 0.09 0.04 2.43 -0.72 0.15 114.38 117.97 3hdx h ARG 455 Ca 0.34 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.47 3hdx h ARG 455 Cb -0.02 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.42 3hdx h ARG 455 CO -0.11 0.34 -0.04 0.00 -1.51 0.00 0.00 179.97 178.64 3hdx h ARG 456 N 0.53 -0.12 -0.46 0.20 3.08 -1.04 -3.38 114.38 113.20 3hdx h ARG 456 Ca 0.26 0.01 -0.14 0.00 0.07 0.00 0.00 59.98 60.18 3hdx h ARG 456 Cb 0.20 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 3hdx h ARG 456 CO -0.20 0.35 -0.27 1.49 -1.07 0.00 0.00 179.97 180.27 3hdx h GLU 457 N -0.66 0.99 -5.06 0.04 4.57 -0.52 -3.49 114.58 110.45 3hdx h GLU 457 Ca -0.01 -0.45 -0.63 0.00 -1.18 0.00 0.00 59.36 57.09 3hdx h GLU 457 Cb 0.53 -0.02 -0.17 0.00 -0.16 0.00 0.00 28.75 28.93 3hdx h GLU 457 CO 0.02 1.13 -0.54 -0.51 -1.18 0.00 0.00 179.01 177.93 3hdx s LEU 458 N -9.02 3.93 0.00 1.64 1.43 0.03 -5.00 118.68 111.69 3hdx s LEU 458 Ca -0.11 0.03 0.00 0.00 -1.03 0.00 0.00 54.13 53.02 3hdx s LEU 458 Cb 0.12 -2.05 0.00 0.00 0.03 0.00 0.00 46.19 44.29 3hdx s LEU 458 CO 0.88 0.04 0.00 0.61 0.23 0.00 0.00 176.35 178.11 3hdx n GLY 460 N 4.42 0.00 0.99 -3.19 0.00 -1.26 -4.34 105.19 101.81 3hdx n GLY 460 Ca -0.15 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.95 3hdx n GLY 460 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hdx n GLU 461 N 0.07 3.17 -1.44 1.61 1.02 -1.26 -4.98 120.64 118.83 3hdx n GLU 461 Ca 0.00 -2.69 -0.02 0.00 -0.02 0.00 0.00 57.16 54.42 3hdx n GLU 461 Cb 0.00 -1.75 -0.01 0.00 -0.02 0.00 0.00 31.44 29.66 3hdx n GLU 461 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hdx n GLY 462 N -0.01 0.45 0.07 0.62 0.00 -1.26 -4.82 105.19 100.24 3hdx n GLY 462 Ca 0.20 -0.90 -0.08 0.00 0.00 0.00 0.00 46.02 45.24 3hdx n GLY 462 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3hdx n TRP 463 N -3.34 0.00 -0.13 1.61 7.02 -1.24 -4.47 117.44 116.89 3hdx n TRP 463 Ca -0.03 0.00 -0.04 0.00 -1.02 0.00 0.00 57.50 56.41 3hdx n TRP 463 Cb 0.25 -0.71 0.02 0.00 -2.42 0.00 0.00 31.31 28.45 3hdx n TRP 463 CO 0.00 0.00 0.00 -0.09 -2.02 0.00 0.00 177.69 175.58 3hdx h ARG 464 N 0.00 -0.02 -0.08 -0.99 9.65 -1.73 0.24 114.38 121.46 3hdx h ARG 464 Ca -0.39 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.48 3hdx h ARG 464 Cb 1.85 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 30.43 3hdx h ARG 464 CO 0.01 -0.01 0.04 2.35 2.80 0.00 0.00 179.97 185.15 3hdx h TRP 465 N -0.02 0.11 -0.75 2.20 2.91 -1.18 0.91 115.95 120.13 3hdx h TRP 465 Ca 0.21 -0.01 -0.03 0.00 1.13 0.00 0.00 58.89 60.20 3hdx h TRP 465 Cb 0.34 -0.03 -0.03 0.00 -0.51 0.00 0.00 29.16 28.92 3hdx h TRP 465 CO -0.39 0.18 0.35 1.88 -1.03 0.00 0.00 178.44 179.43 3hdx h TYR 466 N 0.01 1.09 -0.87 2.65 0.05 -1.67 -1.87 116.97 116.36 3hdx h TYR 466 Ca 0.03 -0.06 0.01 0.00 0.05 0.00 0.00 58.73 58.75 3hdx h TYR 466 Cb 0.11 -0.34 -0.04 0.00 1.01 0.00 0.00 36.73 37.47 3hdx h TYR 466 CO -0.03 0.81 0.56 -0.44 -1.05 0.00 0.00 178.16 178.01 3hdx h ASP 467 N 1.06 1.00 -0.75 3.88 3.32 -0.76 -1.29 116.42 122.89 3hdx h ASP 467 Ca 0.26 -0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.24 3hdx h ASP 467 Cb 0.13 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.40 3hdx h ASP 467 CO -0.03 0.74 0.34 -0.07 -1.72 0.00 0.00 179.24 178.49 3hdx h LEU 468 N 1.18 1.02 -0.01 1.55 3.38 -0.02 0.16 115.31 122.57 3hdx h LEU 468 Ca 0.32 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 3hdx h LEU 468 Cb -0.12 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.37 3hdx h LEU 468 CO -0.07 0.88 -0.00 0.58 0.09 0.00 0.00 178.44 179.92 3hdx h VAL 469 N 1.10 1.28 -0.68 1.22 2.07 -0.98 -0.23 116.25 120.02 3hdx h VAL 469 Ca 0.26 -0.83 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 3hdx h VAL 469 Cb 0.16 1.83 -0.03 0.00 -1.52 0.00 0.00 31.29 31.72 3hdx h VAL 469 CO -0.03 0.22 0.38 0.03 0.02 0.00 0.00 177.57 178.19 3hdx h ARG 470 N -0.33 0.95 -0.61 1.57 3.08 -1.01 -1.78 114.38 116.26 3hdx h ARG 470 Ca 0.00 -0.11 0.06 0.00 0.07 0.00 0.00 59.98 60.00 3hdx h ARG 470 Cb 0.35 -0.19 -0.05 0.00 0.08 0.00 0.00 29.97 30.16 3hdx h ARG 470 CO 0.00 0.71 0.32 -0.09 -1.07 0.00 0.00 179.97 179.83 3hdx h ARG 471 N 0.94 0.58 -0.62 0.04 2.43 -0.66 -2.72 114.38 114.37 3hdx h ARG 471 Ca 0.24 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.32 3hdx h ARG 471 Cb 0.03 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.42 3hdx h ARG 471 CO -0.04 0.38 0.14 0.37 -1.51 0.00 0.00 179.97 179.31 3hdx h GLN 472 N 0.59 0.98 -0.26 0.20 5.75 -0.36 -2.35 115.11 119.66 3hdx h GLN 472 Ca 0.27 -0.22 -0.02 0.00 -0.15 0.00 0.00 58.65 58.53 3hdx h GLN 472 Cb 0.19 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.59 3hdx h GLN 472 CO -0.19 0.88 0.08 0.87 -2.65 0.00 0.00 178.83 177.82 3hdx h LYS 473 N 0.94 0.36 -0.41 1.69 1.57 -1.07 0.99 116.57 120.63 3hdx h LYS 473 Ca 0.20 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 3hdx h LYS 473 Cb 0.35 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.59 3hdx h LYS 473 CO 0.00 0.32 0.00 1.28 -0.57 0.00 0.00 179.45 180.49 3hdx n LEU 474 N -4.41 1.21 0.00 2.94 4.77 -0.89 -5.07 117.00 115.55 3hdx n LEU 474 Ca 0.01 -0.61 0.00 0.00 -0.03 0.00 0.00 56.01 55.38 3hdx n LEU 474 Cb 0.14 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 3hdx n LEU 474 CO 0.36 0.25 0.00 0.29 -1.33 0.00 0.00 177.39 176.96 3hdx n LYS 476 N 0.01 0.00 -0.33 3.23 5.02 0.34 -5.08 118.16 121.35 3hdx n LYS 476 Ca 0.05 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.46 3hdx n LYS 476 Cb 0.24 0.00 0.30 0.00 -0.02 0.00 0.00 35.03 35.54 3hdx n LYS 476 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3hdx n ASP 477 N 0.00 3.68 -3.39 4.39 5.75 -1.26 -4.77 116.55 120.95 3hdx n ASP 477 Ca 0.00 -2.00 -0.16 0.00 -0.01 0.00 0.00 54.79 52.62 3hdx n ASP 477 Cb 0.00 -0.43 -0.09 0.00 -1.03 0.00 0.00 41.12 39.56 3hdx n ASP 477 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 3hdx s ASN 478 N -1.08 1.50 0.36 -1.12 3.84 -1.26 -5.03 114.94 112.16 3hdx s ASN 478 Ca 0.46 -0.67 0.04 0.00 0.21 0.00 0.00 52.86 52.90 3hdx s ASN 478 Cb 0.24 0.58 0.69 0.00 -0.55 0.00 0.00 41.25 42.21 3hdx s ASN 478 CO 0.32 -0.38 1.98 -0.33 -2.79 0.00 0.00 177.10 175.90 3hdx h GLU 479 N 8.25 0.66 -0.67 0.43 4.39 -1.99 0.10 114.58 125.75 3hdx h GLU 479 Ca -0.13 -0.07 -0.05 0.00 0.34 0.00 0.00 59.36 59.45 3hdx h GLU 479 Cb 1.08 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 29.57 3hdx h GLU 479 CO 0.32 0.50 0.22 0.00 -1.16 0.00 0.00 179.01 178.89 3hdx h ALA 480 N 1.61 0.88 -0.33 3.43 0.00 -1.99 -0.05 119.26 122.81 3hdx h ALA 480 Ca 0.17 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 3hdx h ALA 480 Cb 0.04 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3hdx h ALA 480 CO -0.03 0.55 -0.26 0.35 0.00 0.00 0.00 179.25 179.86 3hdx h PHE 481 N 0.98 0.90 -0.76 0.00 3.04 -1.83 -1.14 116.94 118.13 3hdx h PHE 481 Ca 0.22 -0.25 0.04 0.00 3.98 0.00 0.00 57.97 61.96 3hdx h PHE 481 Cb 0.28 -0.20 -0.04 0.00 2.56 0.00 0.00 35.95 38.55 3hdx h PHE 481 CO 0.02 1.01 0.50 -0.07 -2.02 0.00 0.00 178.31 177.75 3hdx h LEU 482 N 0.53 0.77 -0.41 0.59 3.38 -0.51 -0.80 115.31 118.86 3hdx h LEU 482 Ca 0.06 -0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.87 3hdx h LEU 482 Cb 0.82 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 3hdx h LEU 482 CO 0.07 0.52 -0.39 -0.09 0.09 0.00 0.00 178.44 178.63 3hdx h ARG 483 N 0.88 0.91 -0.86 1.13 1.12 -0.76 -1.18 114.38 115.61 3hdx h ARG 483 Ca 0.31 -0.48 0.07 0.00 -1.11 0.00 0.00 59.98 58.77 3hdx h ARG 483 Cb 0.12 0.02 -0.06 0.00 -0.01 0.00 0.00 29.97 30.04 3hdx h ARG 483 CO -0.10 1.13 0.56 1.25 -3.11 0.00 0.00 179.97 179.71 3hdx h LEU 484 N 0.74 0.84 0.10 3.80 5.85 -0.36 0.17 115.31 126.45 3hdx h LEU 484 Ca 0.06 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 3hdx h LEU 484 Cb 0.98 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.84 3hdx h LEU 484 CO 0.10 0.53 -0.05 0.40 -0.34 0.00 0.00 178.44 179.08 3hdx h ILE 485 N 0.95 1.10 -0.09 4.05 2.04 -0.84 -0.28 117.51 124.43 3hdx h ILE 485 Ca 0.38 -0.83 -0.07 0.00 1.00 0.00 0.00 64.86 65.33 3hdx h ILE 485 Cb 0.24 1.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.93 3hdx h ILE 485 CO -0.14 0.20 -0.27 0.77 0.00 0.00 0.00 178.15 178.71 3hdx h SER 486 N -0.53 0.16 0.52 1.72 4.64 -0.99 -2.72 113.55 116.34 3hdx h SER 486 Ca -0.01 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 3hdx h SER 486 Cb 0.43 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 3hdx h SER 486 CO 0.02 0.43 -0.16 -1.54 -0.87 0.00 0.00 176.83 174.72 3hdx n SER 487 N -4.17 0.39 0.00 4.97 3.41 0.03 -4.93 113.62 113.32 3hdx n SER 487 Ca -0.01 -0.30 0.00 0.00 -0.26 0.00 0.00 58.87 58.30 3hdx n SER 487 Cb 0.36 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.21 3hdx n SER 487 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hdx n GLY 488 N 1.37 0.71 0.00 5.00 0.00 -1.03 -4.12 105.19 107.11 3hdx n GLY 488 Ca 0.11 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.23 3hdx n GLY 488 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hdx n GLY 489 N -2.51 -0.83 0.13 -0.02 0.00 -0.14 -2.10 105.19 99.72 3hdx n GLY 489 Ca 0.00 -0.11 0.14 0.00 0.00 0.00 0.00 46.02 46.06 3hdx n GLY 489 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3hdx n ILE 490 N -1.19 0.00 -3.95 -0.61 -5.35 -1.15 -4.88 119.36 102.23 3hdx n ILE 490 Ca 0.11 -0.07 -0.22 0.00 -0.27 0.00 0.00 62.75 62.31 3hdx n ILE 490 Cb 0.13 -0.09 -0.05 0.00 -1.74 0.00 0.00 39.64 37.89 3hdx n ILE 490 CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 3hdx s TYR 491 N -2.41 2.81 0.40 4.28 2.02 -0.89 -4.94 117.35 118.62 3hdx s TYR 491 Ca 0.31 -0.34 -0.16 0.00 -0.37 0.00 0.00 57.07 56.51 3hdx s TYR 491 Cb 0.20 -1.72 -0.09 0.00 -0.40 0.00 0.00 41.96 39.95 3hdx s TYR 491 CO 0.46 0.26 0.84 -1.58 -1.57 0.00 0.00 175.55 173.96 3hdx s TRP 492 N -2.36 3.39 0.70 2.71 0.52 0.37 -5.00 118.94 119.27 3hdx s TRP 492 Ca 0.39 1.33 -0.15 0.00 0.02 0.00 0.00 56.10 57.69 3hdx s TRP 492 Cb -0.04 -2.65 0.02 0.00 -1.15 0.00 0.00 33.47 29.65 3hdx s TRP 492 CO 0.25 -0.08 1.16 -1.25 0.02 0.00 0.00 176.95 177.05 3hdx s PRO 493 N -3.40 2.44 0.15 4.98 0.04 -1.26 -4.72 135.00 133.23 3hdx s PRO 493 Ca 0.57 1.60 -0.30 0.00 0.04 0.00 0.00 61.00 62.91 3hdx s PRO 493 Cb -0.10 -1.89 -0.07 0.00 0.04 0.00 0.00 34.50 32.49 3hdx s PRO 493 CO 0.21 -1.57 1.03 0.08 0.04 0.00 0.00 177.00 176.79 3hdx s VAL 494 N -2.13 4.16 0.30 -0.36 1.01 -1.26 -4.74 120.40 117.38 3hdx s VAL 494 Ca 0.71 1.85 -0.30 0.00 0.00 0.00 0.00 61.98 64.24 3hdx s VAL 494 Cb -0.25 -4.18 -0.11 0.00 0.00 0.00 0.00 36.38 31.83 3hdx s VAL 494 CO 0.43 0.31 1.60 -0.55 0.00 0.00 0.00 175.10 176.89 3hdx s SER 495 N -0.13 6.35 0.53 3.32 0.15 -1.16 -4.88 113.70 117.88 3hdx s SER 495 Ca 0.48 2.97 0.24 0.00 0.70 0.00 0.00 55.95 60.34 3hdx s SER 495 Cb -0.26 -2.64 1.45 0.00 -1.71 0.00 0.00 66.02 62.85 3hdx s SER 495 CO 0.32 -0.93 2.12 -0.33 1.20 0.00 0.00 173.24 175.63 3hdx h GLU 496 N 4.75 0.00 -0.94 5.44 4.39 -1.94 -1.62 114.58 124.66 3hdx h GLU 496 Ca -0.47 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.22 3hdx h GLU 496 Cb 1.22 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.83 3hdx h GLU 496 CO 0.79 0.08 0.55 -0.44 -1.16 0.00 0.00 179.01 178.83 3hdx h ASP 497 N 0.00 1.14 -0.32 1.42 3.32 -1.98 -0.29 116.42 119.71 3hdx h ASP 497 Ca -0.00 -0.08 -0.04 0.00 0.02 0.00 0.00 57.03 56.94 3hdx h ASP 497 Cb 0.18 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 3hdx h ASP 497 CO 0.01 0.88 0.05 0.40 -1.72 0.00 0.00 179.24 178.86 3hdx h ILE 498 N 1.30 1.23 -0.49 0.35 1.08 -1.67 -2.60 117.51 116.72 3hdx h ILE 498 Ca 0.34 -0.81 -0.10 0.00 -0.39 0.00 0.00 64.86 63.90 3hdx h ILE 498 Cb -0.04 1.15 -0.02 0.00 -3.07 0.00 0.00 36.82 34.84 3hdx h ILE 498 CO -0.06 0.27 -0.07 0.40 -0.69 0.00 0.00 178.15 178.00 3hdx h ILE 499 N 0.36 1.27 -0.63 -0.67 2.04 -1.22 -1.44 117.51 117.22 3hdx h ILE 499 Ca 0.10 -1.18 0.03 0.00 1.00 0.00 0.00 64.86 64.81 3hdx h ILE 499 Cb 0.35 1.04 -0.04 0.00 -0.74 0.00 0.00 36.82 37.42 3hdx h ILE 499 CO 0.01 0.41 0.38 0.74 0.00 0.00 0.00 178.15 179.69 3hdx h THR 500 N 0.76 1.07 0.00 -0.27 2.02 -1.03 -3.01 112.91 112.45 3hdx h THR 500 Ca 0.13 -0.26 -0.05 0.00 0.77 0.00 0.00 66.41 67.00 3hdx h THR 500 Cb 0.61 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 3hdx h THR 500 CO 0.04 0.14 -0.24 0.00 0.37 0.00 0.00 175.52 175.83 3hdx h ALA 501 N 1.28 0.90 -2.72 6.16 0.00 -1.29 -3.41 119.26 120.18 3hdx h ALA 501 Ca 0.26 -0.22 -0.59 0.00 0.00 0.00 0.00 54.91 54.36 3hdx h ALA 501 Cb 0.04 -0.04 -0.39 0.00 0.00 0.00 0.00 17.79 17.40 3hdx h ALA 501 CO -0.11 0.30 -0.81 -0.80 0.00 0.00 0.00 179.25 177.82 3hdx s ASN 502 N -6.24 3.15 0.58 0.00 0.01 -0.56 -5.02 114.94 106.86 3hdx s ASN 502 Ca 0.03 -2.41 0.39 0.00 -0.71 0.00 0.00 52.86 50.16 3hdx s ASN 502 Cb 0.08 -0.64 2.08 0.00 0.41 0.00 0.00 41.25 43.17 3hdx s ASN 502 CO 0.67 -0.28 2.18 0.77 -1.51 0.00 0.00 177.10 178.93 3hdx h SER 503 N 6.82 0.00 0.73 -1.22 4.64 -1.80 -1.16 113.55 121.56 3hdx h SER 503 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3hdx h SER 503 Cb 0.95 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 3hdx h SER 503 CO 0.35 0.00 -0.15 0.00 -0.87 0.00 0.00 176.83 176.16 3hdx n GLN 504 N -2.88 0.14 -2.94 4.77 6.02 -1.26 -4.78 117.38 116.45 3hdx n GLN 504 Ca -0.02 -0.04 -0.41 0.00 -0.01 0.00 0.00 57.00 56.51 3hdx n GLN 504 Cb 0.08 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 29.79 3hdx n GLN 504 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3hdx s ILE 505 N -2.89 4.87 -0.04 5.09 1.01 -0.44 -4.29 121.20 124.52 3hdx s ILE 505 Ca 0.17 1.47 -0.03 0.00 0.00 0.00 0.00 60.65 62.25 3hdx s ILE 505 Cb 0.19 -4.07 -0.04 0.00 0.01 0.00 0.00 42.46 38.55 3hdx s ILE 505 CO 0.56 -0.04 0.13 -1.61 0.00 0.00 0.00 174.94 173.98 3hdx s GLU 506 N 2.72 3.29 0.62 2.79 2.02 -1.26 -4.77 118.70 124.11 3hdx s GLU 506 Ca 0.33 -0.34 -0.16 0.00 0.02 0.00 0.00 54.97 54.82 3hdx s GLU 506 Cb -0.15 -3.02 -0.02 0.00 0.10 0.00 0.00 34.13 31.03 3hdx s GLU 506 CO 0.08 0.69 1.12 -1.14 0.02 0.00 0.00 175.26 176.02 3hdx s GLN 507 N -1.62 2.99 0.13 1.61 2.00 -1.26 -4.94 119.66 118.57 3hdx s GLN 507 Ca 0.22 1.46 -0.31 0.00 -2.00 0.00 0.00 55.36 54.73 3hdx s GLN 507 Cb -0.12 -1.97 -0.10 0.00 0.80 0.00 0.00 33.01 31.62 3hdx s GLN 507 CO 0.13 -1.11 1.71 1.21 -0.50 0.00 0.00 175.29 176.73 3hdx s ASN 508 N -2.32 6.50 0.32 6.67 3.84 -1.26 -4.90 114.94 123.79 3hdx s ASN 508 Ca 0.69 2.67 0.07 0.00 0.21 0.00 0.00 52.86 56.50 3hdx s ASN 508 Cb -0.22 -2.58 0.78 0.00 -0.55 0.00 0.00 41.25 38.69 3hdx s ASN 508 CO 0.37 -0.93 1.79 -0.08 -2.79 0.00 0.00 177.10 175.45 3hdx h GLU 509 N 7.85 0.71 -0.44 0.43 4.57 -1.93 -0.83 114.58 124.95 3hdx h GLU 509 Ca -0.44 -0.04 0.03 0.00 -1.18 0.00 0.00 59.36 57.73 3hdx h GLU 509 Cb 1.21 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 29.61 3hdx h GLU 509 CO 0.94 0.47 0.29 0.35 -1.18 0.00 0.00 179.01 179.88 3hdx h PHE 510 N 0.73 0.45 -0.28 0.92 3.57 -1.88 -2.72 116.94 117.73 3hdx h PHE 510 Ca 0.57 0.01 0.00 0.00 3.53 0.00 0.00 57.97 62.08 3hdx h PHE 510 Cb 0.93 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.52 3hdx h PHE 510 CO -0.00 0.26 0.00 0.91 -2.23 0.00 0.00 178.31 177.25 3hdx n TRP 511 N -4.48 0.35 0.90 0.41 7.02 -0.33 -5.01 117.44 116.30 3hdx n TRP 511 Ca 0.05 -0.20 0.07 0.00 -1.02 0.00 0.00 57.50 56.40 3hdx n TRP 511 Cb 0.16 -0.00 0.43 0.00 -2.42 0.00 0.00 31.31 29.48 3hdx n TRP 511 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30