#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sqd s ASN 15 N 0.00 2.59 0.19 3.14 2.47 -1.26 -4.89 114.94 117.18 1sqd s ASN 15 Ca 0.00 -1.64 0.18 0.00 0.42 0.00 0.00 52.86 51.82 1sqd s ASN 15 Cb 0.00 -0.08 0.83 0.00 -1.45 0.00 0.00 41.25 40.56 1sqd s ASN 15 CO 0.00 -0.34 1.56 -0.81 -3.72 0.00 0.00 177.10 173.79 1sqd n PRO 16 N 4.57 0.12 -3.86 0.43 -0.04 -1.26 -4.89 135.00 130.06 1sqd n PRO 16 Ca 0.05 0.45 -0.29 0.00 -0.04 0.00 0.00 63.50 63.67 1sqd n PRO 16 Cb 0.41 -1.77 0.01 0.00 -0.04 0.00 0.00 33.50 32.11 1sqd n PRO 16 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1sqd n LYS 17 N -2.00 -2.24 -0.26 0.54 5.02 -1.26 -4.89 118.16 113.08 1sqd n LYS 17 Ca 0.01 0.40 0.10 0.00 -2.02 0.00 0.00 58.31 56.80 1sqd n LYS 17 Cb 0.14 -4.21 0.26 0.00 -0.02 0.00 0.00 35.03 31.20 1sqd n LYS 17 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1sqd n SER 18 N -2.80 2.95 -4.57 4.39 3.41 -1.26 -4.98 113.62 110.77 1sqd n SER 18 Ca -0.21 -1.97 -0.45 0.00 -0.26 0.00 0.00 58.87 55.97 1sqd n SER 18 Cb 0.64 -0.34 -0.02 0.00 -0.26 0.00 0.00 64.21 64.23 1sqd n SER 18 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1sqd n ASP 19 N 1.12 1.00 0.09 4.04 8.00 -1.18 -4.49 116.55 125.14 1sqd n ASP 19 Ca 0.19 1.17 0.13 0.00 0.71 0.00 0.00 54.79 56.98 1sqd n ASP 19 Cb 0.48 -1.24 0.30 0.00 -0.02 0.00 0.00 41.12 40.64 1sqd n ASP 19 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1sqd h LYS 20 N 2.03 0.00 -3.89 -1.24 1.57 -0.52 -3.47 116.57 111.06 1sqd h LYS 20 Ca -0.39 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.29 1sqd h LYS 20 Cb 1.35 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 33.55 1sqd h LYS 20 CO 0.61 0.00 -0.27 -0.59 -0.57 0.00 0.00 179.45 178.63 1sqd s PHE 21 N -3.13 0.50 -0.27 -1.35 -0.12 -1.26 -5.03 117.98 107.32 1sqd s PHE 21 Ca 0.09 -0.84 -0.27 0.00 -0.05 0.00 0.00 56.93 55.86 1sqd s PHE 21 Cb 0.12 -0.02 0.01 0.00 -0.63 0.00 0.00 43.02 42.50 1sqd s PHE 21 CO 0.65 -0.84 0.95 0.21 -0.05 0.00 0.00 175.22 176.13 1sqd s LYS 22 N -4.02 4.15 -0.07 1.99 2.20 -1.26 -5.02 119.74 117.70 1sqd s LYS 22 Ca 0.23 1.05 0.01 0.00 -0.36 0.00 0.00 55.97 56.91 1sqd s LYS 22 Cb 0.02 -3.68 -0.03 0.00 -1.51 0.00 0.00 37.83 32.63 1sqd s LYS 22 CO 0.06 -0.66 -0.08 0.08 -0.36 0.00 0.00 175.35 174.39 1sqd s VAL 23 N 3.15 3.58 0.00 4.02 1.01 -1.26 -2.28 120.40 128.63 1sqd s VAL 23 Ca 0.40 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.86 1sqd s VAL 23 Cb -0.14 -2.46 0.00 0.00 0.00 0.00 0.00 36.38 33.78 1sqd s VAL 23 CO 0.09 0.59 0.00 0.29 0.00 0.00 0.00 175.10 176.07 1sqd n LYS 24 N 2.37 0.00 -4.20 2.72 5.02 0.17 -4.95 118.16 119.29 1sqd n LYS 24 Ca -0.18 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 55.99 1sqd n LYS 24 Cb 0.53 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.44 1sqd n LYS 24 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1sqd s ARG 25 N 0.03 1.01 0.36 1.97 1.81 -1.22 -4.69 118.95 118.22 1sqd s ARG 25 Ca 0.00 -1.48 -0.26 0.00 -1.72 0.00 0.00 55.73 52.28 1sqd s ARG 25 Cb 0.00 -0.10 -0.12 0.00 -0.45 0.00 0.00 34.95 34.28 1sqd s ARG 25 CO 0.00 -0.16 0.95 1.19 -0.68 0.00 0.00 175.30 176.61 1sqd n PHE 26 N -0.17 1.01 -0.02 -0.53 0.99 -1.26 -0.80 117.46 116.69 1sqd n PHE 26 Ca -0.07 0.63 -0.03 0.00 -0.00 0.00 0.00 57.45 57.98 1sqd n PHE 26 Cb 0.63 -2.21 -0.02 0.00 -1.00 0.00 0.00 39.48 36.88 1sqd n PHE 26 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.76 178.34 1sqd n HIS 27 N -0.21 0.00 -3.56 1.38 -0.00 0.45 -4.68 115.22 108.60 1sqd n HIS 27 Ca 0.10 0.00 -0.06 0.00 0.46 0.00 0.00 57.72 58.21 1sqd n HIS 27 Cb 0.36 -0.16 -0.02 0.00 -0.12 0.00 0.00 29.99 30.05 1sqd n HIS 27 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 1sqd s HIS 28 N -2.08 -0.23 -0.12 1.57 -3.43 -1.06 -4.40 115.29 105.55 1sqd s HIS 28 Ca -0.06 0.17 0.03 0.00 -0.80 0.00 0.00 55.06 54.40 1sqd s HIS 28 Cb 0.02 0.52 0.00 0.00 -1.43 0.00 0.00 32.58 31.69 1sqd s HIS 28 CO 0.09 -0.34 -0.22 0.42 -2.00 0.00 0.00 174.74 172.69 1sqd s ILE 29 N -2.54 2.12 -0.20 -5.38 -1.09 -0.75 -0.54 121.20 112.82 1sqd s ILE 29 Ca 0.07 -0.98 -0.05 0.00 -2.23 0.00 0.00 60.65 57.46 1sqd s ILE 29 Cb -0.01 -1.83 -0.02 0.00 -1.58 0.00 0.00 42.46 39.02 1sqd s ILE 29 CO -0.06 0.55 -0.00 -0.70 -1.23 0.00 0.00 174.94 173.50 1sqd s GLU 30 N 0.57 3.61 -0.12 2.79 2.12 -0.59 -0.73 118.70 126.35 1sqd s GLU 30 Ca -0.13 -0.53 -0.13 0.00 0.36 0.00 0.00 54.97 54.54 1sqd s GLU 30 Cb -0.17 -3.06 -0.05 0.00 0.26 0.00 0.00 34.13 31.11 1sqd s GLU 30 CO 0.04 0.02 0.31 -0.06 -0.54 0.00 0.00 175.26 175.02 1sqd s PHE 31 N 0.97 3.54 -0.27 5.30 0.40 0.11 -0.31 117.98 127.72 1sqd s PHE 31 Ca 0.01 0.69 -0.13 0.00 -0.60 0.00 0.00 56.93 56.91 1sqd s PHE 31 Cb -0.14 -2.29 -0.04 0.00 0.51 0.00 0.00 43.02 41.05 1sqd s PHE 31 CO 0.02 0.40 0.26 -1.58 0.70 0.00 0.00 175.22 175.02 1sqd s TRP 32 N -0.08 3.24 0.41 0.36 0.52 -0.74 -1.39 118.94 121.25 1sqd s TRP 32 Ca 0.18 0.25 0.04 0.00 0.02 0.00 0.00 56.10 56.59 1sqd s TRP 32 Cb -0.14 -2.45 -0.05 0.00 -1.15 0.00 0.00 33.47 29.68 1sqd s TRP 32 CO 0.06 -0.17 0.05 0.00 0.02 0.00 0.00 176.95 176.91 1sqd h GLY 34 N 1.78 0.00 -7.60 0.00 0.00 -1.98 -3.41 103.07 91.87 1sqd h GLY 34 Ca -0.41 0.00 -0.63 0.00 0.00 0.00 0.00 47.33 46.29 1sqd h GLY 34 CO 0.70 0.00 -0.80 -0.35 0.00 0.00 0.00 176.54 176.09 1sqd s ASP 35 N -6.21 3.99 0.16 0.19 -1.08 -1.26 -4.71 116.67 107.75 1sqd s ASP 35 Ca -0.18 -1.20 -0.10 0.00 -0.52 0.00 0.00 52.55 50.54 1sqd s ASP 35 Cb -0.02 -1.33 0.02 0.00 -1.46 0.00 0.00 42.92 40.13 1sqd s ASP 35 CO 0.61 -0.20 1.58 0.00 0.52 0.00 0.00 175.17 177.68 1sqd h ALA 36 N 7.89 0.71 -0.15 3.66 0.00 -1.85 -3.17 119.26 126.35 1sqd h ALA 36 Ca -0.20 -0.35 0.05 0.00 0.00 0.00 0.00 54.91 54.41 1sqd h ALA 36 Cb 1.07 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.61 1sqd h ALA 36 CO 0.44 0.62 -0.30 1.15 0.00 0.00 0.00 179.25 181.17 1sqd h THR 37 N 0.86 0.32 -0.52 0.00 2.02 -1.93 0.17 112.91 113.83 1sqd h THR 37 Ca 0.13 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.20 1sqd h THR 37 Cb 0.68 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 1sqd h THR 37 CO 0.05 0.00 -0.12 0.78 0.37 0.00 0.00 175.52 176.60 1sqd h ASN 38 N -0.36 0.98 -0.29 4.18 2.35 -1.99 -1.33 115.58 119.12 1sqd h ASN 38 Ca 0.10 -0.33 -0.06 0.00 -0.55 0.00 0.00 56.30 55.47 1sqd h ASN 38 Cb 0.52 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 1sqd h ASN 38 CO -0.35 1.11 -0.06 0.58 -1.65 0.00 0.00 177.43 177.05 1sqd h VAL 39 N 0.87 1.28 -0.55 2.81 2.07 -1.48 -1.86 116.25 119.38 1sqd h VAL 39 Ca 0.13 -1.07 0.01 0.00 0.82 0.00 0.00 66.70 66.59 1sqd h VAL 39 Cb 0.68 1.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.81 1sqd h VAL 39 CO 0.05 0.34 0.37 0.00 0.02 0.00 0.00 177.57 178.35 1sqd h ALA 40 N 0.79 0.70 -0.53 1.67 0.00 -0.87 -0.01 119.26 121.01 1sqd h ALA 40 Ca 0.07 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 1sqd h ALA 40 Cb 0.53 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1sqd h ALA 40 CO 0.03 0.14 -0.09 0.00 0.00 0.00 0.00 179.25 179.33 1sqd h ARG 41 N 0.75 1.00 -0.32 0.00 3.08 -1.22 0.39 114.38 118.07 1sqd h ARG 41 Ca 0.20 -0.36 -0.01 0.00 0.07 0.00 0.00 59.98 59.88 1sqd h ARG 41 Cb -0.09 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 1sqd h ARG 41 CO -0.04 1.04 0.16 -0.09 -1.07 0.00 0.00 179.97 179.97 1sqd h ARG 42 N 0.87 0.45 -0.57 0.04 1.12 -1.09 -2.71 114.38 112.48 1sqd h ARG 42 Ca 0.14 -0.06 -0.05 0.00 -1.11 0.00 0.00 59.98 58.90 1sqd h ARG 42 Cb 0.65 -0.08 -0.02 0.00 -0.01 0.00 0.00 29.97 30.51 1sqd h ARG 42 CO 0.05 0.41 0.17 0.74 -3.11 0.00 0.00 179.97 178.23 1sqd h PHE 43 N 0.38 0.93 -0.08 2.20 -1.00 -0.85 -0.75 116.94 117.76 1sqd h PHE 43 Ca 0.11 -0.10 0.04 0.00 2.81 0.00 0.00 57.97 60.83 1sqd h PHE 43 Cb 0.11 -0.27 -0.05 0.00 3.61 0.00 0.00 35.95 39.35 1sqd h PHE 43 CO -0.02 0.78 -0.20 1.03 -1.61 0.00 0.00 178.31 178.29 1sqd h SER 44 N 0.81 -0.61 -0.29 2.17 0.87 -0.81 -0.44 113.55 115.25 1sqd h SER 44 Ca 0.18 0.10 -0.04 0.00 -1.23 0.00 0.00 61.79 60.80 1sqd h SER 44 Cb 0.29 0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.51 1sqd h SER 44 CO -0.00 -0.26 0.03 -0.25 -0.53 0.00 0.00 176.83 175.82 1sqd h TRP 45 N -0.28 0.52 0.00 2.24 -0.00 -1.43 0.06 115.95 117.07 1sqd h TRP 45 Ca 0.08 -0.08 -0.11 0.00 -0.00 0.00 0.00 58.89 58.79 1sqd h TRP 45 Cb 0.40 -0.14 -0.02 0.00 -0.00 0.00 0.00 29.16 29.40 1sqd h TRP 45 CO -0.29 0.60 -0.50 0.78 -0.00 0.00 0.00 178.44 179.03 1sqd h GLY 46 N 0.29 0.00 -0.05 2.65 0.00 -0.92 -3.30 103.07 101.74 1sqd h GLY 46 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 1sqd h GLY 46 CO 0.01 0.00 -0.28 1.04 0.00 0.00 0.00 176.54 177.31 1sqd n LEU 47 N -3.75 0.42 -1.53 3.11 4.77 -0.19 -4.54 117.00 115.29 1sqd n LEU 47 Ca -0.01 -0.54 -0.07 0.00 -0.03 0.00 0.00 56.01 55.36 1sqd n LEU 47 Cb 0.55 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.66 1sqd n LEU 47 CO 0.40 0.10 0.06 0.61 -1.33 0.00 0.00 177.39 177.23 1sqd n GLY 48 N 1.09 0.42 3.75 -0.72 0.00 -0.06 -4.42 105.19 105.24 1sqd n GLY 48 Ca 0.01 -0.37 -0.32 0.00 0.00 0.00 0.00 46.02 45.35 1sqd n GLY 48 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1sqd s MET 49 N -5.14 2.92 0.05 1.61 -1.94 -0.79 -2.94 119.30 113.06 1sqd s MET 49 Ca 0.13 -0.60 -0.21 0.00 -1.71 0.00 0.00 55.69 53.30 1sqd s MET 49 Cb -0.06 -2.76 -0.06 0.00 2.01 0.00 0.00 34.83 33.96 1sqd s MET 49 CO 0.22 0.61 0.62 0.50 -0.01 0.00 0.00 175.02 176.96 1sqd s ARG 50 N -1.95 4.31 -0.52 2.03 3.52 0.61 -4.61 118.95 122.34 1sqd s ARG 50 Ca 0.24 0.81 -0.28 0.00 -0.13 0.00 0.00 55.73 56.37 1sqd s ARG 50 Cb -0.12 -3.29 0.00 0.00 -1.56 0.00 0.00 34.95 29.98 1sqd s ARG 50 CO 0.16 0.49 1.52 0.12 -0.81 0.00 0.00 175.30 176.79 1sqd s PHE 51 N -0.65 2.16 -0.02 5.12 5.99 -1.26 -0.80 117.98 128.51 1sqd s PHE 51 Ca 0.31 0.56 0.05 0.00 0.00 0.00 0.00 56.93 57.85 1sqd s PHE 51 Cb -0.19 -4.31 -0.08 0.00 0.00 0.00 0.00 43.02 38.44 1sqd s PHE 51 CO 0.19 -2.14 0.08 -1.13 -0.00 0.00 0.00 175.22 172.22 1sqd n SER 52 N 9.97 3.77 -3.66 6.13 3.41 -0.21 -4.54 113.62 128.49 1sqd n SER 52 Ca 0.15 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.65 1sqd n SER 52 Cb 0.49 1.02 -0.05 0.00 -0.26 0.00 0.00 64.21 65.41 1sqd n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sqd s ALA 53 N -2.28 -0.89 0.02 7.33 0.00 -1.15 -1.59 121.76 123.20 1sqd s ALA 53 Ca -0.02 -0.00 -0.12 0.00 0.00 0.00 0.00 51.96 51.82 1sqd s ALA 53 Cb 0.03 0.59 0.01 0.00 0.00 0.00 0.00 23.12 23.75 1sqd s ALA 53 CO 0.22 -0.58 0.25 -1.59 0.00 0.00 0.00 175.76 174.05 1sqd s LYS 54 N -3.46 0.69 -0.15 0.00 -2.85 -0.59 -0.89 119.74 112.49 1sqd s LYS 54 Ca 0.01 -0.46 -0.04 0.00 -1.00 0.00 0.00 55.97 54.48 1sqd s LYS 54 Cb 0.01 0.30 0.06 0.00 -2.06 0.00 0.00 37.83 36.14 1sqd s LYS 54 CO -0.09 -0.20 0.08 0.45 0.10 0.00 0.00 175.35 175.68 1sqd s SER 55 N -1.80 2.21 0.00 0.03 0.15 0.13 -0.38 113.70 114.04 1sqd s SER 55 Ca -0.08 -0.53 0.00 0.00 0.70 0.00 0.00 55.95 56.04 1sqd s SER 55 Cb -0.03 -0.25 0.00 0.00 -1.71 0.00 0.00 66.02 64.03 1sqd s SER 55 CO -0.01 -0.33 0.00 -0.90 1.20 0.00 0.00 173.24 173.20 1sqd n ASP 56 N 5.27 0.00 -0.34 5.45 3.85 -1.26 0.34 116.55 129.86 1sqd n ASP 56 Ca -0.07 -0.49 0.08 0.00 -0.71 0.00 0.00 54.79 53.61 1sqd n ASP 56 Cb 0.49 0.00 0.27 0.00 -1.35 0.00 0.00 41.12 40.53 1sqd n ASP 56 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.20 176.12 1sqd h LEU 57 N 0.00 0.87 -1.89 -2.12 3.38 -1.79 0.20 115.31 113.96 1sqd h LEU 57 Ca 0.00 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1sqd h LEU 57 Cb 0.00 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 1sqd h LEU 57 CO 0.00 0.46 -0.03 0.77 0.09 0.00 0.00 178.44 179.73 1sqd h SER 58 N 0.93 0.00 -0.43 -0.43 4.64 -1.96 -1.46 113.55 114.84 1sqd h SER 58 Ca 0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.81 1sqd h SER 58 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 1sqd h SER 58 CO -0.25 0.03 0.00 0.35 -0.87 0.00 0.00 176.83 176.08 1sqd n THR 59 N -3.16 0.66 -0.47 2.95 -2.24 -0.51 -4.95 114.28 106.56 1sqd n THR 59 Ca -0.01 -0.83 0.00 0.00 -2.27 0.00 0.00 64.05 60.94 1sqd n THR 59 Cb 0.24 0.81 0.00 0.00 -2.10 0.00 0.00 70.33 69.28 1sqd n THR 59 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sqd n GLY 60 N 1.27 0.76 3.56 3.38 0.00 -0.55 -4.88 105.19 108.73 1sqd n GLY 60 Ca 0.18 -0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 1sqd n GLY 60 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1sqd s ASN 61 N -2.06 6.50 0.00 1.61 3.84 -0.06 -4.86 114.94 119.91 1sqd s ASN 61 Ca 0.00 0.12 0.25 0.00 0.21 0.00 0.00 52.86 53.44 1sqd s ASN 61 Cb 0.00 -2.43 0.59 0.00 -0.55 0.00 0.00 41.25 38.86 1sqd s ASN 61 CO 0.00 -0.95 1.48 0.23 -2.79 0.00 0.00 177.10 175.07 1sqd n MET 62 N 6.91 2.05 -0.10 0.43 2.81 -1.26 -2.82 117.12 125.13 1sqd n MET 62 Ca 0.05 -1.54 -0.19 0.00 -1.81 0.00 0.00 57.70 54.21 1sqd n MET 62 Cb 0.48 -1.47 -0.07 0.00 -0.71 0.00 0.00 33.22 31.46 1sqd n MET 62 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1sqd n VAL 63 N 0.83 1.05 -3.99 2.03 0.31 -1.26 -4.19 118.33 113.11 1sqd n VAL 63 Ca 0.17 -0.29 -0.09 0.00 -0.01 0.00 0.00 64.34 64.12 1sqd n VAL 63 Cb 0.48 -1.66 -0.10 0.00 -0.91 0.00 0.00 33.84 31.65 1sqd n VAL 63 CO 0.00 0.00 0.00 -1.38 -1.32 0.00 0.00 176.83 174.13 1sqd s HIS 64 N -2.35 0.30 -0.25 3.52 -3.43 -1.26 -1.81 115.29 110.00 1sqd s HIS 64 Ca -0.26 -0.63 -0.09 0.00 -0.80 0.00 0.00 55.06 53.28 1sqd s HIS 64 Cb 0.10 -0.22 -0.04 0.00 -1.43 0.00 0.00 32.58 30.99 1sqd s HIS 64 CO 0.35 -0.28 0.13 0.00 -2.00 0.00 0.00 174.74 172.94 1sqd s ALA 65 N -2.28 3.39 -0.09 -1.38 0.00 -0.03 -4.26 121.76 117.11 1sqd s ALA 65 Ca -0.08 -1.04 -0.00 0.00 0.00 0.00 0.00 51.96 50.84 1sqd s ALA 65 Cb -0.04 -2.24 0.02 0.00 0.00 0.00 0.00 23.12 20.86 1sqd s ALA 65 CO -0.04 -0.40 -0.05 -1.12 0.00 0.00 0.00 175.76 174.16 1sqd s SER 66 N 1.45 1.81 -0.10 0.00 0.01 0.15 -1.26 113.70 115.77 1sqd s SER 66 Ca 0.06 -0.21 0.04 0.00 1.31 0.00 0.00 55.95 57.15 1sqd s SER 66 Cb -0.15 -0.67 0.00 0.00 0.21 0.00 0.00 66.02 65.42 1sqd s SER 66 CO 0.06 -0.12 -0.22 -0.31 0.41 0.00 0.00 173.24 173.06 1sqd s TYR 67 N 1.61 2.42 -0.20 2.43 2.02 -0.22 -0.69 117.35 124.72 1sqd s TYR 67 Ca 0.01 -1.00 -0.06 0.00 -0.37 0.00 0.00 57.07 55.65 1sqd s TYR 67 Cb -0.13 -1.63 -0.03 0.00 -0.40 0.00 0.00 41.96 39.77 1sqd s TYR 67 CO -0.05 -0.42 0.03 -1.17 -1.57 0.00 0.00 175.55 172.37 1sqd s LEU 68 N 0.42 3.47 -0.06 -1.29 2.96 -0.07 -0.72 118.68 123.39 1sqd s LEU 68 Ca -0.17 -0.11 0.01 0.00 -0.22 0.00 0.00 54.13 53.64 1sqd s LEU 68 Cb -0.18 -1.88 -0.03 0.00 0.50 0.00 0.00 46.19 44.60 1sqd s LEU 68 CO 0.07 0.09 -0.06 -0.76 -1.32 0.00 0.00 176.35 174.38 1sqd s LEU 69 N 0.86 3.24 0.02 -0.68 1.43 0.58 -1.05 118.68 123.09 1sqd s LEU 69 Ca 0.02 -0.01 0.03 0.00 -1.03 0.00 0.00 54.13 53.14 1sqd s LEU 69 Cb -0.14 -1.74 -0.02 0.00 0.03 0.00 0.00 46.19 44.33 1sqd s LEU 69 CO 0.02 0.35 -0.09 0.42 0.23 0.00 0.00 176.35 177.28 1sqd s THR 70 N -0.86 0.70 -0.20 5.49 -4.23 0.02 -0.81 115.64 115.75 1sqd s THR 70 Ca 0.13 -0.72 -0.05 0.00 -1.18 0.00 0.00 61.69 59.88 1sqd s THR 70 Cb -0.11 -0.65 0.07 0.00 1.34 0.00 0.00 72.50 73.15 1sqd s THR 70 CO 0.03 -0.04 0.10 -0.55 -0.54 0.00 0.00 174.62 173.62 1sqd s SER 71 N -0.84 2.67 1.72 3.99 0.15 -0.76 -0.28 113.70 120.34 1sqd s SER 71 Ca -0.01 -0.79 0.00 0.00 0.70 0.00 0.00 55.95 55.84 1sqd s SER 71 Cb -0.06 -0.27 0.00 0.00 -1.71 0.00 0.00 66.02 63.98 1sqd s SER 71 CO 0.00 -0.37 0.00 0.61 1.20 0.00 0.00 173.24 174.68 1sqd n GLY 72 N 5.27 3.71 0.38 9.45 0.00 -1.25 -1.78 105.19 120.96 1sqd n GLY 72 Ca -0.07 -0.04 0.10 0.00 0.00 0.00 0.00 46.02 46.02 1sqd n GLY 72 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sqd n ASP 73 N 8.67 1.76 -4.72 1.61 8.00 0.76 -4.93 116.55 127.70 1sqd n ASP 73 Ca 0.00 -1.38 -0.42 0.00 0.71 0.00 0.00 54.79 53.70 1sqd n ASP 73 Cb 0.00 0.59 -0.03 0.00 -0.02 0.00 0.00 41.12 41.66 1sqd n ASP 73 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1sqd s LEU 74 N -2.53 4.37 -0.14 0.64 2.96 -0.73 -4.85 118.68 118.40 1sqd s LEU 74 Ca 0.16 2.39 0.00 0.00 -0.22 0.00 0.00 54.13 56.45 1sqd s LEU 74 Cb 0.17 -3.59 0.02 0.00 0.50 0.00 0.00 46.19 43.29 1sqd s LEU 74 CO 0.61 -0.67 -0.11 -0.13 -1.32 0.00 0.00 176.35 174.73 1sqd s ARG 75 N 0.98 1.97 -0.16 1.98 0.52 -1.26 -1.84 118.95 121.14 1sqd s ARG 75 Ca 0.65 -0.44 -0.01 0.00 -0.52 0.00 0.00 55.73 55.41 1sqd s ARG 75 Cb -0.38 -1.90 -0.01 0.00 0.52 0.00 0.00 34.95 33.18 1sqd s ARG 75 CO 0.31 -0.26 -0.12 -0.06 0.02 0.00 0.00 175.30 175.19 1sqd s PHE 76 N 1.58 2.83 -0.13 -0.53 2.99 0.01 -1.81 117.98 122.91 1sqd s PHE 76 Ca 0.05 -0.88 0.00 0.00 0.00 0.00 0.00 56.93 56.10 1sqd s PHE 76 Cb -0.13 -1.91 -0.01 0.00 0.00 0.00 0.00 43.02 40.97 1sqd s PHE 76 CO -0.10 -0.39 -0.14 -1.17 -0.00 0.00 0.00 175.22 173.42 1sqd s LEU 77 N 0.77 2.66 -0.19 -0.37 2.96 0.09 -0.31 118.68 124.30 1sqd s LEU 77 Ca -0.05 -0.35 -0.00 0.00 -0.22 0.00 0.00 54.13 53.50 1sqd s LEU 77 Cb -0.15 -1.60 0.01 0.00 0.50 0.00 0.00 46.19 44.95 1sqd s LEU 77 CO 0.01 0.16 -0.15 -0.36 -1.32 0.00 0.00 176.35 174.69 1sqd s PHE 78 N 0.39 2.83 -0.02 5.38 0.40 0.10 0.04 117.98 127.10 1sqd s PHE 78 Ca -0.11 -1.35 0.04 0.00 -0.60 0.00 0.00 56.93 54.92 1sqd s PHE 78 Cb -0.16 -1.97 -0.01 0.00 0.51 0.00 0.00 43.02 41.39 1sqd s PHE 78 CO 0.05 -0.68 -0.15 0.99 0.70 0.00 0.00 175.22 176.14 1sqd s THR 79 N 1.27 1.18 0.03 0.64 2.01 -0.49 -1.06 115.64 119.22 1sqd s THR 79 Ca 0.03 -0.63 -0.04 0.00 0.31 0.00 0.00 61.69 61.37 1sqd s THR 79 Cb -0.14 -0.99 -0.01 0.00 0.01 0.00 0.00 72.50 71.37 1sqd s THR 79 CO -0.08 0.34 0.06 0.00 -0.69 0.00 0.00 174.62 174.25 1sqd s ALA 80 N -0.27 -0.03 0.15 7.40 0.00 -0.39 -1.15 121.76 127.47 1sqd s ALA 80 Ca 0.04 -0.51 -0.24 0.00 0.00 0.00 0.00 51.96 51.25 1sqd s ALA 80 Cb -0.07 0.19 -0.08 0.00 0.00 0.00 0.00 23.12 23.17 1sqd s ALA 80 CO -0.00 -0.25 0.73 -1.25 0.00 0.00 0.00 175.76 174.98 1sqd s PRO 81 N -2.12 4.46 0.90 0.00 0.04 -1.26 -0.85 135.00 136.18 1sqd s PRO 81 Ca -0.09 1.04 -0.15 0.00 0.04 0.00 0.00 61.00 61.84 1sqd s PRO 81 Cb -0.04 -3.22 0.21 0.00 0.04 0.00 0.00 34.50 31.49 1sqd s PRO 81 CO -0.03 0.57 1.22 0.66 0.04 0.00 0.00 177.00 179.46 1sqd n TYR 82 N 1.53 -4.00 -1.85 0.56 0.53 -0.75 -4.88 117.16 108.30 1sqd n TYR 82 Ca -0.06 -1.08 -0.42 0.00 -1.02 0.00 0.00 57.90 55.32 1sqd n TYR 82 Cb 0.49 -0.95 -0.03 0.00 -1.03 0.00 0.00 39.34 37.83 1sqd n TYR 82 CO 0.00 0.00 0.00 0.45 -1.02 0.00 0.00 176.86 176.29 1sqd s SER 83 N -5.44 6.49 0.51 7.72 0.15 -1.26 -4.86 113.70 117.01 1sqd s SER 83 Ca 0.69 2.76 0.30 0.00 0.70 0.00 0.00 55.95 60.40 1sqd s SER 83 Cb -0.02 -2.61 1.41 0.00 -1.71 0.00 0.00 66.02 63.10 1sqd s SER 83 CO 0.49 -0.87 1.87 -0.65 1.20 0.00 0.00 173.24 175.27 1sqd h PRO 84 N 6.19 0.08 -0.23 5.44 0.11 -1.93 -1.83 132.00 139.83 1sqd h PRO 84 Ca -0.44 -0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.73 1sqd h PRO 84 Cb 1.21 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1sqd h PRO 84 CO 0.89 0.05 0.19 0.66 -0.21 0.00 0.00 178.00 179.58 1sqd h SER 85 N 0.08 0.00 0.69 -2.05 4.64 -1.95 -1.72 113.55 113.24 1sqd h SER 85 Ca 0.46 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.73 1sqd h SER 85 Cb 1.70 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.78 1sqd h SER 85 CO -0.05 0.00 -0.26 -0.07 -0.87 0.00 0.00 176.83 175.58 1sqd h LEU 86 N 0.00 0.00 -2.68 5.97 3.38 -1.60 -3.24 115.31 117.14 1sqd h LEU 86 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1sqd h LEU 86 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1sqd h LEU 86 CO -0.00 0.26 -0.07 -1.54 0.09 0.00 0.00 178.44 177.18 1sqd n SER 87 N -3.57 1.71 0.25 -0.43 3.41 -0.83 -4.82 113.62 109.33 1sqd n SER 87 Ca -0.01 -2.40 0.15 0.00 -0.26 0.00 0.00 58.87 56.35 1sqd n SER 87 Cb 0.40 -0.22 0.82 0.00 -0.26 0.00 0.00 64.21 64.95 1sqd n SER 87 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sqd h ALA 88 N 0.00 1.76 -0.00 7.33 0.00 -1.37 0.33 119.26 127.30 1sqd h ALA 88 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1sqd h ALA 88 Cb 0.89 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1sqd h ALA 88 CO 0.00 -0.13 -0.07 0.41 0.00 0.00 0.00 179.25 179.46 1sqd n GLY 89 N -1.41 -0.83 3.86 0.00 0.00 -1.26 -4.91 105.19 100.64 1sqd n GLY 89 Ca -0.01 -0.28 -0.31 0.00 0.00 0.00 0.00 46.02 45.42 1sqd n GLY 89 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sqd s GLU 90 N -2.33 3.85 0.41 1.61 2.02 0.11 -5.09 118.70 119.29 1sqd s GLU 90 Ca 0.33 0.62 0.05 0.00 0.02 0.00 0.00 54.97 55.99 1sqd s GLU 90 Cb 0.20 -2.33 -0.06 0.00 0.10 0.00 0.00 34.13 32.04 1sqd s GLU 90 CO 0.44 -0.07 0.02 0.96 0.02 0.00 0.00 175.26 176.63 1sqd s ILE 91 N -2.38 1.66 0.24 -1.63 -4.36 -1.26 -4.98 121.20 108.48 1sqd s ILE 91 Ca 0.54 -2.00 -0.05 0.00 -0.26 0.00 0.00 60.65 58.87 1sqd s ILE 91 Cb -0.10 -2.80 0.23 0.00 1.25 0.00 0.00 42.46 41.04 1sqd s ILE 91 CO 0.29 0.00 1.69 0.11 0.24 0.00 0.00 174.94 177.27 1sqd h LYS 92 N 1.76 0.26 0.00 0.37 1.57 -1.99 0.14 116.57 118.69 1sqd h LYS 92 Ca -0.43 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1sqd h LYS 92 Cb 1.25 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.51 1sqd h LYS 92 CO 0.77 0.18 0.00 -1.35 -0.57 0.00 0.00 179.45 178.47 1sqd h PRO 93 N 0.27 0.00 -0.03 3.15 0.11 -2.03 -2.83 132.00 130.64 1sqd h PRO 93 Ca 0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.51 1sqd h PRO 93 Cb 0.68 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.79 1sqd h PRO 93 CO -0.50 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 177.54 1sqd n THR 94 N -2.61 1.48 -2.07 -1.15 -2.24 0.42 -5.08 114.28 103.03 1sqd n THR 94 Ca -0.01 -1.64 -0.37 0.00 -2.27 0.00 0.00 64.05 59.76 1sqd n THR 94 Cb 0.13 0.12 0.02 0.00 -2.10 0.00 0.00 70.33 68.49 1sqd n THR 94 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1sqd s THR 95 N -1.97 2.71 -2.84 4.28 -1.32 -0.81 -4.67 115.64 111.02 1sqd s THR 95 Ca 0.18 0.49 0.24 0.00 -1.21 0.00 0.00 61.69 61.39 1sqd s THR 95 Cb 0.15 -3.23 0.27 0.00 -1.51 0.00 0.00 72.50 68.18 1sqd s THR 95 CO 0.03 -0.05 1.31 0.35 -2.21 0.00 0.00 174.62 174.05 1sqd n THR 96 N -1.07 0.14 -2.14 5.08 -2.24 -1.26 -4.95 114.28 107.85 1sqd n THR 96 Ca 0.11 -0.56 -0.38 0.00 -2.27 0.00 0.00 64.05 60.94 1sqd n THR 96 Cb 0.48 1.33 -0.00 0.00 -2.10 0.00 0.00 70.33 70.03 1sqd n THR 96 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sqd s ALA 97 N -1.86 3.08 -0.26 6.98 0.00 -1.26 -4.26 121.76 124.17 1sqd s ALA 97 Ca 0.31 1.09 0.22 0.00 0.00 0.00 0.00 51.96 53.59 1sqd s ALA 97 Cb 0.21 -3.44 -0.10 0.00 0.00 0.00 0.00 23.12 19.79 1sqd s ALA 97 CO 0.31 -0.78 0.85 -1.13 0.00 0.00 0.00 175.76 175.01 1sqd n SER 98 N -0.25 0.52 -4.14 0.00 3.41 -1.26 -4.60 113.62 107.30 1sqd n SER 98 Ca 0.06 0.08 -0.38 0.00 -0.26 0.00 0.00 58.87 58.38 1sqd n SER 98 Cb 0.46 1.04 -0.10 0.00 -0.26 0.00 0.00 64.21 65.35 1sqd n SER 98 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1sqd s ILE 99 N -3.37 3.69 0.53 -1.33 1.01 -1.26 -4.91 121.20 115.55 1sqd s ILE 99 Ca -0.02 -2.33 0.31 0.00 0.00 0.00 0.00 60.65 58.61 1sqd s ILE 99 Cb 0.12 -3.45 0.48 0.00 0.01 0.00 0.00 42.46 39.62 1sqd s ILE 99 CO 0.83 -0.78 1.88 1.55 0.00 0.00 0.00 174.94 178.42 1sqd h PRO 100 N 7.77 0.04 0.00 2.79 0.13 -2.00 0.29 132.00 141.01 1sqd h PRO 100 Ca -0.10 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.03 1sqd h PRO 100 Cb 1.02 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.14 1sqd h PRO 100 CO 0.74 0.02 0.00 -1.13 -0.23 0.00 0.00 178.00 177.40 1sqd n SER 101 N -4.29 0.45 -4.77 1.44 3.41 -1.26 -4.84 113.62 103.77 1sqd n SER 101 Ca 0.19 0.59 -0.41 0.00 -0.26 0.00 0.00 58.87 58.99 1sqd n SER 101 Cb 0.96 -0.70 -0.01 0.00 -0.26 0.00 0.00 64.21 64.21 1sqd n SER 101 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1sqd s PHE 102 N -3.17 2.71 -0.03 7.33 5.36 0.09 -5.02 117.98 125.23 1sqd s PHE 102 Ca 0.07 1.15 -0.01 0.00 -0.96 0.00 0.00 56.93 57.18 1sqd s PHE 102 Cb 0.11 -3.96 0.03 0.00 -0.34 0.00 0.00 43.02 38.85 1sqd s PHE 102 CO 0.40 -2.86 0.03 0.34 -1.46 0.00 0.00 175.22 171.67 1sqd s ASP 103 N -0.10 0.71 0.15 6.13 2.15 -1.26 -5.05 116.67 119.40 1sqd s ASP 103 Ca 0.54 0.03 -0.18 0.00 0.43 0.00 0.00 52.55 53.36 1sqd s ASP 103 Cb -0.45 -0.17 0.05 0.00 -0.30 0.00 0.00 42.92 42.05 1sqd s ASP 103 CO 0.58 -0.17 1.68 0.45 -0.17 0.00 0.00 175.17 177.54 1sqd h HIS 104 N 7.82 -0.19 0.00 -5.34 3.86 -1.95 -0.78 115.15 118.57 1sqd h HIS 104 Ca -0.30 0.03 0.01 0.00 -1.16 0.00 0.00 60.37 58.95 1sqd h HIS 104 Cb 1.12 0.13 -0.01 0.00 1.06 0.00 0.00 27.41 29.71 1sqd h HIS 104 CO 0.49 -0.15 -0.05 0.78 0.86 0.00 0.00 177.93 179.87 1sqd h GLY 105 N -0.01 -0.06 1.01 2.45 0.00 -1.98 0.91 103.07 105.39 1sqd h GLY 105 Ca 0.16 0.06 -0.01 0.00 0.00 0.00 0.00 47.33 47.53 1sqd h GLY 105 CO -0.34 -0.06 0.44 1.76 0.00 0.00 0.00 176.54 178.34 1sqd h SER 106 N -0.09 0.97 -0.01 0.19 0.02 -1.94 -0.26 113.55 112.43 1sqd h SER 106 Ca 0.02 -0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1sqd h SER 106 Cb 0.12 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.42 1sqd h SER 106 CO -0.06 0.78 0.00 0.00 -1.14 0.00 0.00 176.83 176.42 1sqd h ARG 108 N -0.12 1.03 -0.35 0.00 3.08 -0.71 -1.24 114.38 116.08 1sqd h ARG 108 Ca 0.00 -0.22 -0.00 0.00 0.07 0.00 0.00 59.98 59.83 1sqd h ARG 108 Cb 0.13 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 1sqd h ARG 108 CO -0.00 0.89 0.20 1.03 -1.07 0.00 0.00 179.97 181.02 1sqd h SER 109 N 0.97 0.42 0.03 7.04 0.87 -0.89 0.14 113.55 122.12 1sqd h SER 109 Ca 0.22 -0.06 0.01 0.00 -1.23 0.00 0.00 61.79 60.73 1sqd h SER 109 Cb 0.28 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.12 1sqd h SER 109 CO -0.01 0.36 -0.08 0.15 -0.53 0.00 0.00 176.83 176.72 1sqd h PHE 110 N 0.45 -0.20 -0.43 2.24 3.57 -0.38 -1.57 116.94 120.62 1sqd h PHE 110 Ca 0.12 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.58 1sqd h PHE 110 Cb 0.02 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.83 1sqd h PHE 110 CO -0.04 -0.12 0.07 0.35 -2.23 0.00 0.00 178.31 176.34 1sqd h PHE 111 N -0.15 0.76 -0.47 0.41 3.57 -1.04 0.20 116.94 120.21 1sqd h PHE 111 Ca 0.02 -0.11 0.04 0.00 3.53 0.00 0.00 57.97 61.46 1sqd h PHE 111 Cb 0.18 -0.21 -0.04 0.00 2.79 0.00 0.00 35.95 38.67 1sqd h PHE 111 CO -0.13 0.73 0.24 0.77 -2.23 0.00 0.00 178.31 177.68 1sqd h SER 112 N 0.57 0.34 -0.08 0.41 0.02 -0.69 0.19 113.55 114.31 1sqd h SER 112 Ca 0.13 0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 61.06 1sqd h SER 112 Cb 0.38 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 62.88 1sqd h SER 112 CO 0.01 0.24 -0.14 -1.28 -1.14 0.00 0.00 176.83 174.52 1sqd h SER 113 N 0.47 0.26 0.00 3.07 0.87 -0.97 -3.38 113.55 113.86 1sqd h SER 113 Ca 0.21 -0.54 0.00 0.00 -1.23 0.00 0.00 61.79 60.22 1sqd h SER 113 Cb 0.12 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.00 1sqd h SER 113 CO -0.15 0.75 -1.08 1.41 -0.53 0.00 0.00 176.83 177.23 1sqd n HIS 114 N -4.62 0.00 -3.58 2.24 8.25 0.66 -4.43 115.22 113.74 1sqd n HIS 114 Ca -0.07 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.40 1sqd n HIS 114 Cb 0.37 -0.15 -0.00 0.00 1.12 0.00 0.00 29.99 31.33 1sqd n HIS 114 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1sqd n GLY 115 N 1.55 -1.83 3.71 -1.41 0.00 0.66 -4.80 105.19 103.07 1sqd n GLY 115 Ca -0.00 -1.32 -0.43 0.00 0.00 0.00 0.00 46.02 44.27 1sqd n GLY 115 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1sqd n LEU 116 N 0.00 3.86 0.00 0.99 7.94 -1.26 -4.66 117.00 123.86 1sqd n LEU 116 Ca 0.00 1.06 0.03 0.00 -1.11 0.00 0.00 56.01 55.98 1sqd n LEU 116 Cb 0.04 -1.55 0.01 0.00 0.53 0.00 0.00 43.42 42.45 1sqd n LEU 116 CO 0.00 0.11 1.04 0.61 -1.11 0.00 0.00 177.39 178.04 1sqd n GLY 117 N 3.92 0.24 3.68 -3.96 0.00 -1.24 -4.83 105.19 103.00 1sqd n GLY 117 Ca 0.16 -1.04 -0.42 0.00 0.00 0.00 0.00 46.02 44.73 1sqd n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sqd s VAL 118 N -2.02 4.86 -0.12 1.61 1.01 -1.26 -1.79 120.40 122.68 1sqd s VAL 118 Ca 0.29 1.74 -0.08 0.00 0.00 0.00 0.00 61.98 63.92 1sqd s VAL 118 Cb -0.01 -4.18 -0.26 0.00 0.00 0.00 0.00 36.38 31.93 1sqd s VAL 118 CO -0.00 0.03 0.40 -0.09 0.00 0.00 0.00 175.10 175.43 1sqd h ARG 119 N 7.25 0.27 -4.19 2.72 9.65 -0.99 -3.43 114.38 125.65 1sqd h ARG 119 Ca -0.30 -0.46 -0.46 0.00 -1.10 0.00 0.00 59.98 57.66 1sqd h ARG 119 Cb 1.14 0.17 -0.35 0.00 -1.39 0.00 0.00 29.97 29.54 1sqd h ARG 119 CO 0.84 1.22 -0.79 0.00 2.80 0.00 0.00 179.97 184.04 1sqd s ALA 120 N -2.55 0.97 -0.40 2.80 0.00 -1.07 -0.61 121.76 120.90 1sqd s ALA 120 Ca -0.22 -0.25 -0.17 0.00 0.00 0.00 0.00 51.96 51.32 1sqd s ALA 120 Cb 0.06 -0.58 0.01 0.00 0.00 0.00 0.00 23.12 22.62 1sqd s ALA 120 CO 0.77 -0.08 0.43 0.08 0.00 0.00 0.00 175.76 176.96 1sqd s VAL 121 N 1.06 5.10 -0.21 0.00 1.01 -0.48 -1.55 120.40 125.33 1sqd s VAL 121 Ca -0.08 -0.21 -0.08 0.00 0.00 0.00 0.00 61.98 61.60 1sqd s VAL 121 Cb -0.14 -3.99 -0.04 0.00 0.00 0.00 0.00 36.38 32.21 1sqd s VAL 121 CO -0.01 -0.34 0.08 0.00 0.00 0.00 0.00 175.10 174.83 1sqd s ALA 122 N 2.13 3.38 -0.02 5.51 0.00 0.30 -0.86 121.76 132.21 1sqd s ALA 122 Ca 0.13 -0.86 0.07 0.00 0.00 0.00 0.00 51.96 51.29 1sqd s ALA 122 Cb -0.17 -2.02 -0.02 0.00 0.00 0.00 0.00 23.12 20.91 1sqd s ALA 122 CO 0.13 -0.04 -0.23 0.96 0.00 0.00 0.00 175.76 176.58 1sqd s ILE 123 N 0.78 2.30 -0.03 0.00 -4.36 0.21 -0.41 121.20 119.69 1sqd s ILE 123 Ca 0.04 -1.05 -0.28 0.00 -0.26 0.00 0.00 60.65 59.10 1sqd s ILE 123 Cb -0.13 -1.83 -0.03 0.00 1.25 0.00 0.00 42.46 41.71 1sqd s ILE 123 CO 0.02 0.56 0.89 -0.70 0.24 0.00 0.00 174.94 175.95 1sqd s GLU 124 N -0.72 4.50 0.35 0.37 2.12 0.02 -1.54 118.70 123.81 1sqd s GLU 124 Ca 0.11 1.23 0.04 0.00 0.36 0.00 0.00 54.97 56.71 1sqd s GLU 124 Cb -0.10 -3.47 -0.06 0.00 0.26 0.00 0.00 34.13 30.76 1sqd s GLU 124 CO -0.00 -0.04 0.06 0.14 -0.54 0.00 0.00 175.26 174.87 1sqd s VAL 125 N 1.06 1.26 0.10 3.70 -7.23 0.12 0.45 120.40 119.86 1sqd s VAL 125 Ca 0.47 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 58.49 1sqd s VAL 125 Cb -0.20 -2.76 -0.09 0.00 0.56 0.00 0.00 36.38 33.89 1sqd s VAL 125 CO 0.24 0.00 1.40 -0.08 -0.31 0.00 0.00 175.10 176.35 1sqd h GLU 126 N 2.00 0.72 -2.41 4.82 4.81 -1.74 -3.38 114.58 119.40 1sqd h GLU 126 Ca -0.41 -0.41 -0.34 0.00 -0.13 0.00 0.00 59.36 58.07 1sqd h GLU 126 Cb 1.25 0.03 -0.35 0.00 0.63 0.00 0.00 28.75 30.30 1sqd h GLU 126 CO 0.70 1.03 -0.64 0.34 -0.73 0.00 0.00 179.01 179.71 1sqd s ASP 127 N -6.63 1.66 0.24 1.04 -1.08 -1.26 -4.69 116.67 105.96 1sqd s ASP 127 Ca -0.12 -0.49 0.00 0.00 -0.52 0.00 0.00 52.55 51.42 1sqd s ASP 127 Cb 0.09 0.37 0.27 0.00 -1.46 0.00 0.00 42.92 42.18 1sqd s ASP 127 CO 0.84 -0.36 1.62 0.00 0.52 0.00 0.00 175.17 177.79 1sqd h ALA 128 N 8.30 0.91 -0.31 3.66 0.00 -1.84 0.34 119.26 130.32 1sqd h ALA 128 Ca -0.16 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.31 1sqd h ALA 128 Cb 1.11 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1sqd h ALA 128 CO 0.32 0.63 0.13 1.49 0.00 0.00 0.00 179.25 181.82 1sqd h GLU 129 N 0.42 0.46 -0.54 0.00 4.81 -1.94 -1.27 114.58 116.53 1sqd h GLU 129 Ca 0.04 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 1sqd h GLU 129 Cb 0.87 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.15 1sqd h GLU 129 CO 0.07 0.46 0.29 1.03 -0.73 0.00 0.00 179.01 180.13 1sqd h SER 130 N 0.36 0.68 -0.58 1.04 0.87 -1.91 -1.20 113.55 112.80 1sqd h SER 130 Ca 0.11 -0.10 -0.08 0.00 -1.23 0.00 0.00 61.79 60.49 1sqd h SER 130 Cb 0.16 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 61.92 1sqd h SER 130 CO -0.01 0.58 0.08 0.00 -0.53 0.00 0.00 176.83 176.95 1sqd h ALA 131 N 1.12 0.99 0.18 6.23 0.00 -0.78 -1.39 119.26 125.62 1sqd h ALA 131 Ca 0.19 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1sqd h ALA 131 Cb 0.06 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1sqd h ALA 131 CO -0.03 0.63 -0.09 0.35 0.00 0.00 0.00 179.25 180.12 1sqd h PHE 132 N 0.94 -0.22 -0.08 0.00 3.57 -1.12 -0.20 116.94 119.83 1sqd h PHE 132 Ca 0.19 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.72 1sqd h PHE 132 Cb 0.43 0.07 -0.05 0.00 2.79 0.00 0.00 35.95 39.20 1sqd h PHE 132 CO 0.03 -0.01 -0.22 0.77 -2.23 0.00 0.00 178.31 176.65 1sqd h SER 133 N -0.41 -0.68 -0.52 0.41 0.02 -1.03 -1.10 113.55 110.25 1sqd h SER 133 Ca -0.02 0.11 -0.07 0.00 -0.84 0.00 0.00 61.79 60.96 1sqd h SER 133 Cb 0.32 0.30 -0.02 0.00 0.14 0.00 0.00 62.40 63.13 1sqd h SER 133 CO 0.04 -0.28 0.05 0.40 -1.14 0.00 0.00 176.83 175.91 1sqd h ILE 134 N -0.31 1.25 0.15 3.27 2.04 -1.28 -1.06 117.51 121.56 1sqd h ILE 134 Ca 0.09 -1.01 -0.01 0.00 1.00 0.00 0.00 64.86 64.93 1sqd h ILE 134 Cb 0.43 0.76 0.00 0.00 -0.74 0.00 0.00 36.82 37.27 1sqd h ILE 134 CO -0.26 0.37 -0.07 0.28 0.00 0.00 0.00 178.15 178.47 1sqd h SER 135 N 0.87 -0.17 -0.57 1.72 0.02 -0.68 -1.12 113.55 113.63 1sqd h SER 135 Ca 0.17 -0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 61.06 1sqd h SER 135 Cb 0.44 0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.99 1sqd h SER 135 CO 0.02 -0.09 0.20 0.58 -1.14 0.00 0.00 176.83 176.39 1sqd h VAL 136 N -0.23 1.23 -0.75 2.27 2.07 -1.05 0.14 116.25 119.93 1sqd h VAL 136 Ca -0.02 -0.77 0.13 0.00 0.82 0.00 0.00 66.70 66.86 1sqd h VAL 136 Cb 0.18 0.67 -0.05 0.00 -1.52 0.00 0.00 31.29 30.57 1sqd h VAL 136 CO 0.03 0.29 0.50 0.00 0.02 0.00 0.00 177.57 178.41 1sqd h ALA 137 N 1.05 1.98 -0.86 1.67 0.00 -1.15 -0.74 119.26 121.21 1sqd h ALA 137 Ca 0.18 -0.00 -0.43 0.00 0.00 0.00 0.00 54.91 54.66 1sqd h ALA 137 Cb 0.25 -0.10 -0.26 0.00 0.00 0.00 0.00 17.79 17.69 1sqd h ALA 137 CO -0.01 -0.17 0.55 0.09 0.00 0.00 0.00 179.25 179.71 1sqd n ASN 138 N -4.49 3.77 0.00 0.00 3.02 -0.43 -4.90 115.26 112.22 1sqd n ASN 138 Ca 0.14 -3.39 0.00 0.00 -0.03 0.00 0.00 54.58 51.30 1sqd n ASN 138 Cb 0.45 -0.79 0.00 0.00 -0.61 0.00 0.00 39.78 38.82 1sqd n ASN 138 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sqd n GLY 139 N -0.86 0.52 3.76 7.41 0.00 -0.29 -3.49 105.19 112.24 1sqd n GLY 139 Ca 0.51 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.13 1sqd n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sqd s ALA 140 N -2.14 3.38 -0.33 4.61 0.00 0.40 -4.95 121.76 122.72 1sqd s ALA 140 Ca 0.00 1.03 -0.26 0.00 0.00 0.00 0.00 51.96 52.73 1sqd s ALA 140 Cb 0.00 -3.39 0.01 0.00 0.00 0.00 0.00 23.12 19.74 1sqd s ALA 140 CO 0.00 -0.39 0.92 0.42 0.00 0.00 0.00 175.76 176.71 1sqd s ILE 141 N -1.21 4.64 0.37 0.00 1.01 -1.26 -4.38 121.20 120.36 1sqd s ILE 141 Ca 0.49 1.35 -0.28 0.00 0.00 0.00 0.00 60.65 62.21 1sqd s ILE 141 Cb -0.34 -4.29 -0.10 0.00 0.01 0.00 0.00 42.46 37.73 1sqd s ILE 141 CO 0.44 -0.42 1.42 -2.16 0.00 0.00 0.00 174.94 174.22 1sqd s PRO 142 N 3.34 4.12 -0.03 2.79 0.04 -1.26 -0.19 135.00 143.81 1sqd s PRO 142 Ca 0.38 2.43 -0.01 0.00 0.04 0.00 0.00 61.00 63.84 1sqd s PRO 142 Cb -0.13 -2.95 -0.01 0.00 0.04 0.00 0.00 34.50 31.45 1sqd s PRO 142 CO 0.15 -0.47 -0.03 0.45 0.04 0.00 0.00 177.00 177.14 1sqd n SER 143 N 0.45 0.38 -3.73 6.66 2.88 -0.10 -4.69 113.62 115.46 1sqd n SER 143 Ca 0.01 0.03 -0.12 0.00 -1.33 0.00 0.00 58.87 57.46 1sqd n SER 143 Cb 0.40 -0.08 -0.13 0.00 -0.75 0.00 0.00 64.21 63.66 1sqd n SER 143 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1sqd s SER 144 N -5.20 -0.27 0.76 -3.46 0.15 -0.54 -4.97 113.70 100.18 1sqd s SER 144 Ca -0.04 0.54 -0.11 0.00 0.70 0.00 0.00 55.95 57.04 1sqd s SER 144 Cb 0.01 0.42 0.05 0.00 -1.71 0.00 0.00 66.02 64.80 1sqd s SER 144 CO 0.05 -0.17 1.08 -2.16 1.20 0.00 0.00 173.24 173.25 1sqd s PRO 145 N 1.24 2.36 0.10 5.44 0.04 -1.26 -0.70 135.00 142.22 1sqd s PRO 145 Ca -0.09 1.03 -0.33 0.00 0.04 0.00 0.00 61.00 61.65 1sqd s PRO 145 Cb -0.10 -1.92 -0.13 0.00 0.04 0.00 0.00 34.50 32.39 1sqd s PRO 145 CO -0.09 -1.53 1.71 -2.30 0.04 0.00 0.00 177.00 174.83 1sqd n PRO 146 N -3.43 2.31 -4.64 0.56 -0.02 -1.25 -4.56 135.00 123.98 1sqd n PRO 146 Ca 0.08 0.84 -0.24 0.00 -2.02 0.00 0.00 63.50 62.16 1sqd n PRO 146 Cb 0.54 -2.65 -0.16 0.00 -0.02 0.00 0.00 33.50 31.20 1sqd n PRO 146 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1sqd s ILE 147 N 2.00 1.15 -0.25 4.25 1.09 -0.34 -4.97 121.20 124.13 1sqd s ILE 147 Ca 0.82 -0.55 -0.16 0.00 -1.10 0.00 0.00 60.65 59.66 1sqd s ILE 147 Cb -0.63 -1.01 -0.03 0.00 -1.06 0.00 0.00 42.46 39.72 1sqd s ILE 147 CO 0.41 0.34 0.43 -0.69 -0.10 0.00 0.00 174.94 175.33 1sqd s VAL 148 N 0.17 5.14 -0.23 2.92 1.01 -1.26 -1.98 120.40 126.17 1sqd s VAL 148 Ca -0.05 0.70 -0.12 0.00 0.00 0.00 0.00 61.98 62.51 1sqd s VAL 148 Cb -0.11 -3.75 -0.05 0.00 0.00 0.00 0.00 36.38 32.48 1sqd s VAL 148 CO 0.02 0.15 0.25 -0.76 0.00 0.00 0.00 175.10 174.75 1sqd s LEU 149 N 2.02 4.11 -1.69 3.92 1.43 0.11 -4.49 118.68 124.10 1sqd s LEU 149 Ca 0.18 0.23 -0.15 0.00 -1.03 0.00 0.00 54.13 53.36 1sqd s LEU 149 Cb -0.16 -2.25 0.14 0.00 0.03 0.00 0.00 46.19 43.96 1sqd s LEU 149 CO 0.09 -0.01 0.60 -3.20 0.23 0.00 0.00 176.35 174.07 1sqd n ASN 150 N 4.49 -2.04 -3.18 2.29 5.15 -1.26 -0.62 115.26 120.10 1sqd n ASN 150 Ca -0.12 -1.10 -0.18 0.00 -0.60 0.00 0.00 54.58 52.57 1sqd n ASN 150 Cb 0.52 -2.37 -0.02 0.00 -0.53 0.00 0.00 39.78 37.38 1sqd n ASN 150 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1sqd n GLU 151 N -4.33 -2.65 0.00 1.20 1.02 -1.26 -4.68 120.64 109.94 1sqd n GLU 151 Ca -0.01 0.29 0.00 0.00 -0.02 0.00 0.00 57.16 57.42 1sqd n GLU 151 Cb 0.53 -4.90 0.00 0.00 -0.02 0.00 0.00 31.44 27.05 1sqd n GLU 151 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1sqd n ALA 152 N -3.12 1.57 -2.69 0.62 0.00 0.21 -4.92 120.51 112.18 1sqd n ALA 152 Ca -0.01 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.25 1sqd n ALA 152 Cb 0.52 0.05 -0.14 0.00 0.00 0.00 0.00 19.45 19.88 1sqd n ALA 152 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1sqd s VAL 153 N -1.14 0.75 -0.12 0.00 1.01 -0.93 -1.13 120.40 118.85 1sqd s VAL 153 Ca 0.00 -0.56 0.02 0.00 0.00 0.00 0.00 61.98 61.43 1sqd s VAL 153 Cb 0.00 -0.66 -0.01 0.00 0.00 0.00 0.00 36.38 35.71 1sqd s VAL 153 CO 0.00 0.10 -0.18 -0.89 0.00 0.00 0.00 175.10 174.13 1sqd s THR 154 N -0.45 2.61 -0.03 3.92 2.01 0.63 0.10 115.64 124.44 1sqd s THR 154 Ca 0.02 -0.82 0.05 0.00 0.31 0.00 0.00 61.69 61.25 1sqd s THR 154 Cb -0.05 -2.06 -0.01 0.00 0.01 0.00 0.00 72.50 70.39 1sqd s THR 154 CO 0.00 0.54 -0.17 -0.51 -0.69 0.00 0.00 174.62 173.79 1sqd s ILE 155 N 0.38 1.36 0.05 1.82 2.07 -0.84 -1.02 121.20 125.02 1sqd s ILE 155 Ca -0.14 -0.71 -0.15 0.00 -1.41 0.00 0.00 60.65 58.24 1sqd s ILE 155 Cb -0.17 -1.15 0.03 0.00 0.13 0.00 0.00 42.46 41.30 1sqd s ILE 155 CO 0.07 0.39 0.34 0.00 -1.91 0.00 0.00 174.94 173.83 1sqd s ALA 156 N -0.20 -0.79 -0.00 1.50 0.00 -0.73 -1.20 121.76 120.33 1sqd s ALA 156 Ca 0.02 0.10 0.00 0.00 0.00 0.00 0.00 51.96 52.08 1sqd s ALA 156 Cb -0.09 0.34 0.00 0.00 0.00 0.00 0.00 23.12 23.38 1sqd s ALA 156 CO 0.01 -0.43 -0.00 -1.21 0.00 0.00 0.00 175.76 174.12 1sqd s GLU 157 N -2.57 0.07 0.19 0.00 2.02 0.12 0.29 118.70 118.81 1sqd s GLU 157 Ca -0.05 0.00 0.08 0.00 0.02 0.00 0.00 54.97 55.03 1sqd s GLU 157 Cb -0.01 -0.11 -0.04 0.00 0.10 0.00 0.00 34.13 34.07 1sqd s GLU 157 CO -0.03 -0.01 -0.16 0.14 0.02 0.00 0.00 175.26 175.21 1sqd s VAL 158 N 0.16 1.82 0.28 2.63 -7.23 -0.72 -0.93 120.40 116.40 1sqd s VAL 158 Ca -0.01 -2.08 -0.29 0.00 -1.81 0.00 0.00 61.98 57.78 1sqd s VAL 158 Cb -0.02 -1.96 -0.10 0.00 0.56 0.00 0.00 36.38 34.86 1sqd s VAL 158 CO -0.00 -0.45 1.28 -0.54 -0.31 0.00 0.00 175.10 175.07 1sqd s LYS 159 N -3.23 4.41 -0.06 4.82 1.02 0.73 -0.51 119.74 126.92 1sqd s LYS 159 Ca 0.20 2.11 -0.06 0.00 0.02 0.00 0.00 55.97 58.24 1sqd s LYS 159 Cb -0.03 -3.13 -0.02 0.00 -0.52 0.00 0.00 37.83 34.13 1sqd s LYS 159 CO 0.07 -0.15 -0.11 -0.11 -0.92 0.00 0.00 175.35 174.12 1sqd n LEU 160 N 1.47 0.67 -3.56 3.17 7.94 -0.21 -4.61 117.00 121.86 1sqd n LEU 160 Ca 0.02 0.11 -0.17 0.00 -1.11 0.00 0.00 56.01 54.86 1sqd n LEU 160 Cb 0.42 -0.55 -0.06 0.00 0.53 0.00 0.00 43.42 43.76 1sqd n LEU 160 CO 0.58 -0.43 0.37 -0.72 -1.11 0.00 0.00 177.39 176.07 1sqd s TYR 161 N -1.66 -0.58 0.00 1.96 -0.85 -1.18 -4.88 117.35 110.16 1sqd s TYR 161 Ca -0.10 1.00 0.00 0.00 -0.52 0.00 0.00 57.07 57.45 1sqd s TYR 161 Cb 0.01 0.35 0.00 0.00 0.38 0.00 0.00 41.96 42.71 1sqd s TYR 161 CO 0.14 -0.57 0.00 0.41 -1.52 0.00 0.00 175.55 174.02 1sqd n GLY 162 N 1.02 3.06 1.36 5.49 0.00 -1.26 -1.37 105.19 113.48 1sqd n GLY 162 Ca -0.19 -0.15 0.08 0.00 0.00 0.00 0.00 46.02 45.76 1sqd n GLY 162 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sqd n ASP 163 N 2.68 4.76 -4.77 1.61 10.43 -1.26 -4.94 116.55 125.06 1sqd n ASP 163 Ca 0.00 -2.97 -0.39 0.00 2.57 0.00 0.00 54.79 54.00 1sqd n ASP 163 Cb 0.00 -0.61 -0.06 0.00 1.84 0.00 0.00 41.12 42.29 1sqd n ASP 163 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1sqd s VAL 164 N -2.79 4.87 0.08 2.53 1.01 -0.47 -4.85 120.40 120.78 1sqd s VAL 164 Ca 0.48 1.26 0.05 0.00 0.00 0.00 0.00 61.98 63.77 1sqd s VAL 164 Cb 0.38 -3.93 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 1sqd s VAL 164 CO 0.12 0.44 -0.05 0.68 0.00 0.00 0.00 175.10 176.29 1sqd s VAL 165 N -0.36 3.71 -0.31 2.92 -7.23 0.22 -1.05 120.40 118.30 1sqd s VAL 165 Ca 0.31 -1.05 -0.20 0.00 -1.81 0.00 0.00 61.98 59.23 1sqd s VAL 165 Cb -0.19 -2.73 -0.01 0.00 0.56 0.00 0.00 36.38 34.02 1sqd s VAL 165 CO 0.18 0.17 0.59 -0.22 -0.31 0.00 0.00 175.10 175.51 1sqd s LEU 166 N -2.10 4.17 -0.19 1.32 2.96 0.34 -1.38 118.68 123.79 1sqd s LEU 166 Ca 0.22 0.35 -0.09 0.00 -0.22 0.00 0.00 54.13 54.40 1sqd s LEU 166 Cb -0.11 -2.75 -0.05 0.00 0.50 0.00 0.00 46.19 43.78 1sqd s LEU 166 CO 0.15 -0.45 0.10 -0.60 -1.32 0.00 0.00 176.35 174.22 1sqd s ARG 167 N 2.53 4.09 -0.18 1.98 3.52 -0.03 -1.76 118.95 129.09 1sqd s ARG 167 Ca 0.23 -0.27 -0.09 0.00 -0.13 0.00 0.00 55.73 55.47 1sqd s ARG 167 Cb -0.15 -3.33 -0.05 0.00 -1.56 0.00 0.00 34.95 29.86 1sqd s ARG 167 CO 0.12 0.30 0.12 0.71 -0.81 0.00 0.00 175.30 175.74 1sqd s TYR 168 N 0.33 3.43 -0.07 5.12 4.12 0.14 -0.62 117.35 129.81 1sqd s TYR 168 Ca 0.06 0.34 0.03 0.00 0.02 0.00 0.00 57.07 57.53 1sqd s TYR 168 Cb -0.12 -2.11 0.00 0.00 -1.52 0.00 0.00 41.96 38.22 1sqd s TYR 168 CO -0.01 0.36 -0.17 0.08 0.02 0.00 0.00 175.55 175.83 1sqd s VAL 169 N 0.11 1.46 0.01 0.71 1.01 -0.59 -1.78 120.40 121.33 1sqd s VAL 169 Ca 0.09 -0.69 0.01 0.00 0.00 0.00 0.00 61.98 61.39 1sqd s VAL 169 Cb -0.11 -1.28 -0.01 0.00 0.00 0.00 0.00 36.38 34.98 1sqd s VAL 169 CO -0.01 0.42 -0.04 -0.94 0.00 0.00 0.00 175.10 174.54 1sqd s SER 170 N 0.37 0.44 -0.11 3.32 1.04 -0.19 -0.70 113.70 117.87 1sqd s SER 170 Ca -0.12 -0.17 0.01 0.00 0.48 0.00 0.00 55.95 56.15 1sqd s SER 170 Cb -0.15 -0.02 -0.02 0.00 0.10 0.00 0.00 66.02 65.94 1sqd s SER 170 CO 0.04 -0.03 -0.13 -0.31 0.98 0.00 0.00 173.24 173.80 1sqd s TYR 171 N -0.40 2.79 0.01 5.02 1.51 -1.26 -0.27 117.35 124.75 1sqd s TYR 171 Ca -0.02 -0.49 -0.06 0.00 -1.01 0.00 0.00 57.07 55.48 1sqd s TYR 171 Cb -0.03 -1.79 -0.03 0.00 -0.11 0.00 0.00 41.96 40.00 1sqd s TYR 171 CO -0.00 -0.09 1.10 -0.22 -1.11 0.00 0.00 175.55 175.22 1sqd h LYS 172 N 6.31 -0.19 0.00 -0.62 3.64 -1.48 -3.50 116.57 120.73 1sqd h LYS 172 Ca -0.32 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 1sqd h LYS 172 Cb 1.20 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 1sqd h LYS 172 CO 0.54 -0.13 0.00 0.00 -2.27 0.00 0.00 179.45 177.59 1sqd n ALA 173 N -2.24 0.14 -1.00 5.00 0.00 -1.26 -5.16 120.51 115.99 1sqd n ALA 173 Ca -0.02 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1sqd n ALA 173 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.53 1sqd n ALA 173 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1sqd n GLU 180 N -2.13 0.00 0.00 0.00 2.13 -1.26 -5.18 120.64 114.20 1sqd n GLU 180 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1sqd n GLU 180 Cb 0.00 -0.24 0.00 0.00 0.27 0.00 0.00 31.44 31.47 1sqd n GLU 180 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1sqd n PHE 181 N -0.16 0.00 -4.36 4.31 7.35 -1.26 -4.92 117.46 118.42 1sqd n PHE 181 Ca 0.00 0.00 -0.19 0.00 -0.76 0.00 0.00 57.45 56.50 1sqd n PHE 181 Cb 0.00 0.00 -0.10 0.00 0.35 0.00 0.00 39.48 39.73 1sqd n PHE 181 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 1sqd s LEU 182 N 0.00 2.48 0.31 -2.13 1.43 -1.26 -5.11 118.68 114.40 1sqd s LEU 182 Ca 0.00 -1.10 -0.29 0.00 -1.03 0.00 0.00 54.13 51.71 1sqd s LEU 182 Cb 0.00 -0.57 -0.10 0.00 0.03 0.00 0.00 46.19 45.56 1sqd s LEU 182 CO 0.00 -0.29 1.17 -2.16 0.23 0.00 0.00 176.35 175.31 1sqd s PRO 183 N -3.71 4.49 0.00 1.29 0.04 -1.26 -2.92 135.00 132.93 1sqd s PRO 183 Ca 0.25 1.94 0.00 0.00 0.04 0.00 0.00 61.00 63.23 1sqd s PRO 183 Cb 0.02 -3.09 0.00 0.00 0.04 0.00 0.00 34.50 31.46 1sqd s PRO 183 CO 0.08 0.03 0.00 0.41 0.04 0.00 0.00 177.00 177.55 1sqd n GLY 184 N 0.99 3.21 3.77 0.56 0.00 -1.26 -4.89 105.19 107.56 1sqd n GLY 184 Ca -0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1sqd n GLY 184 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1sqd s PHE 185 N -2.85 3.89 0.00 1.61 0.40 -1.15 -4.71 117.98 115.18 1sqd s PHE 185 Ca 0.00 1.66 0.00 0.00 -0.60 0.00 0.00 56.93 57.99 1sqd s PHE 185 Cb 0.00 -2.82 -0.04 0.00 0.51 0.00 0.00 43.02 40.67 1sqd s PHE 185 CO 0.00 0.45 0.07 -1.21 0.70 0.00 0.00 175.22 175.23 1sqd s GLU 186 N -0.90 3.03 0.35 0.44 2.02 0.49 -4.88 118.70 119.26 1sqd s GLU 186 Ca 0.38 -0.51 -0.26 0.00 0.02 0.00 0.00 54.97 54.59 1sqd s GLU 186 Cb -0.23 -2.83 -0.09 0.00 0.10 0.00 0.00 34.13 31.08 1sqd s GLU 186 CO 0.27 0.64 1.06 0.50 0.02 0.00 0.00 175.26 177.74 1sqd s ARG 187 N -1.76 4.35 -0.27 1.61 3.52 -1.26 -1.54 118.95 123.59 1sqd s ARG 187 Ca 0.23 1.59 -0.25 0.00 -0.13 0.00 0.00 55.73 57.18 1sqd s ARG 187 Cb -0.12 -2.78 -0.00 0.00 -1.56 0.00 0.00 34.95 30.49 1sqd s ARG 187 CO 0.14 0.01 0.84 0.08 -0.81 0.00 0.00 175.30 175.56 1sqd s VAL 188 N -1.49 4.79 0.14 7.11 1.01 -0.62 -4.90 120.40 126.44 1sqd s VAL 188 Ca 0.53 1.44 -0.32 0.00 0.00 0.00 0.00 61.98 63.63 1sqd s VAL 188 Cb -0.25 -4.16 -0.18 0.00 0.00 0.00 0.00 36.38 31.79 1sqd s VAL 188 CO 0.32 -0.18 0.79 -0.62 0.00 0.00 0.00 175.10 175.41 1sqd n GLU 189 N 6.17 0.21 -0.23 2.72 1.02 -1.26 -4.66 120.64 124.61 1sqd n GLU 189 Ca 0.06 0.07 0.18 0.00 -0.02 0.00 0.00 57.16 57.45 1sqd n GLU 189 Cb 0.48 -1.31 0.51 0.00 -0.02 0.00 0.00 31.44 31.10 1sqd n GLU 189 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1sqd h ASP 190 N 1.96 0.41 -0.65 1.62 3.32 -1.95 -2.09 116.42 119.04 1sqd h ASP 190 Ca -0.38 0.04 0.02 0.00 0.02 0.00 0.00 57.03 56.74 1sqd h ASP 190 Cb 1.42 -0.04 -0.04 0.00 0.22 0.00 0.00 39.33 40.89 1sqd h ASP 190 CO 0.61 0.17 0.41 0.00 -1.72 0.00 0.00 179.24 178.71 1sqd h ALA 191 N 1.61 0.84 0.00 3.45 0.00 -2.02 -1.79 119.26 121.35 1sqd h ALA 191 Ca 0.45 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.34 1sqd h ALA 191 Cb 1.12 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1sqd h ALA 191 CO -0.17 0.18 -0.25 0.77 0.00 0.00 0.00 179.25 179.78 1sqd h SER 192 N 0.81 0.00 -3.22 0.00 0.02 -1.80 -3.39 113.55 105.97 1sqd h SER 192 Ca 0.26 -0.05 -0.80 0.00 -0.84 0.00 0.00 61.79 60.36 1sqd h SER 192 Cb -0.01 0.00 -0.27 0.00 0.14 0.00 0.00 62.40 62.26 1sqd h SER 192 CO -0.09 0.02 0.65 -0.24 -1.14 0.00 0.00 176.83 176.04 1sqd n SER 193 N -2.50 5.82 -4.76 3.07 2.88 -0.67 -4.83 113.62 112.62 1sqd n SER 193 Ca 0.04 -3.17 -0.41 0.00 -1.33 0.00 0.00 58.87 54.00 1sqd n SER 193 Cb 0.47 -1.35 -0.02 0.00 -0.75 0.00 0.00 64.21 62.56 1sqd n SER 193 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 1sqd s PHE 194 N -1.65 2.95 -1.44 0.66 5.36 -1.26 -4.78 117.98 117.83 1sqd s PHE 194 Ca 0.32 1.15 -0.08 0.00 -0.96 0.00 0.00 56.93 57.36 1sqd s PHE 194 Cb -0.04 -3.82 0.04 0.00 -0.34 0.00 0.00 43.02 38.86 1sqd s PHE 194 CO -0.01 -2.52 2.57 -0.35 -1.46 0.00 0.00 175.22 173.45 1sqd n PRO 195 N 1.62 4.16 -1.97 10.12 -0.04 -1.26 -4.48 135.00 143.15 1sqd n PRO 195 Ca 0.04 -2.97 -0.36 0.00 -0.04 0.00 0.00 63.50 60.17 1sqd n PRO 195 Cb 0.40 -2.73 0.04 0.00 -0.04 0.00 0.00 33.50 31.17 1sqd n PRO 195 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1sqd s LEU 196 N -1.03 3.67 -0.30 1.53 1.43 -1.26 -5.02 118.68 117.70 1sqd s LEU 196 Ca 0.59 2.44 -0.11 0.00 -1.03 0.00 0.00 54.13 56.02 1sqd s LEU 196 Cb 0.18 -4.58 0.18 0.00 0.03 0.00 0.00 46.19 41.99 1sqd s LEU 196 CO -0.08 -1.64 0.99 -0.62 0.23 0.00 0.00 176.35 175.23 1sqd s ASP 197 N -1.53 -0.58 -0.08 2.29 2.15 -1.15 -4.22 116.67 113.55 1sqd s ASP 197 Ca 0.78 0.29 0.17 0.00 0.43 0.00 0.00 52.55 54.22 1sqd s ASP 197 Cb -0.32 1.46 0.61 0.00 -0.30 0.00 0.00 42.92 44.37 1sqd s ASP 197 CO 0.35 -0.11 1.52 -1.22 -0.17 0.00 0.00 175.17 175.54 1sqd n TYR 198 N 5.41 1.15 0.00 -5.34 0.53 -1.24 -4.94 117.16 112.72 1sqd n TYR 198 Ca -0.03 -0.60 0.00 0.00 -1.02 0.00 0.00 57.90 56.25 1sqd n TYR 198 Cb 0.54 -0.17 0.00 0.00 -1.03 0.00 0.00 39.34 38.68 1sqd n TYR 198 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1sqd n GLY 199 N 0.92 0.59 3.75 2.72 0.00 -1.26 -2.85 105.19 109.05 1sqd n GLY 199 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 1sqd n GLY 199 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sqd s ILE 200 N -2.00 3.38 0.00 -0.61 1.01 -1.26 -1.44 121.20 120.28 1sqd s ILE 200 Ca 0.00 1.28 0.00 0.00 0.00 0.00 0.00 60.65 61.93 1sqd s ILE 200 Cb 0.00 -3.81 0.00 0.00 0.01 0.00 0.00 42.46 38.66 1sqd s ILE 200 CO 0.00 0.26 0.00 0.54 0.00 0.00 0.00 174.94 175.74 1sqd n ARG 201 N 1.73 1.99 -3.58 2.79 5.12 0.07 -3.83 116.66 120.95 1sqd n ARG 201 Ca 0.02 0.00 -0.08 0.00 -1.93 0.00 0.00 57.85 55.85 1sqd n ARG 201 Cb 0.44 -0.76 -0.02 0.00 -1.16 0.00 0.00 32.46 30.96 1sqd n ARG 201 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 1sqd s ARG 202 N -1.52 1.20 -0.11 5.56 1.70 -1.19 -0.17 118.95 124.41 1sqd s ARG 202 Ca 0.00 -0.53 -0.27 0.00 -0.47 0.00 0.00 55.73 54.45 1sqd s ARG 202 Cb 0.00 0.49 -0.02 0.00 -0.57 0.00 0.00 34.95 34.85 1sqd s ARG 202 CO 0.00 -0.53 0.90 -1.17 -1.08 0.00 0.00 175.30 173.42 1sqd s LEU 203 N -2.73 4.24 -0.17 -1.89 2.96 -1.26 -0.22 118.68 119.61 1sqd s LEU 203 Ca 0.06 1.37 -0.18 0.00 -0.22 0.00 0.00 54.13 55.16 1sqd s LEU 203 Cb -0.02 -3.38 -0.22 0.00 0.50 0.00 0.00 46.19 43.07 1sqd s LEU 203 CO -0.06 -0.37 0.31 -0.78 -1.32 0.00 0.00 176.35 174.13 1sqd h ASP 204 N 7.11 0.13 -5.04 3.68 1.82 -0.76 -3.47 116.42 119.90 1sqd h ASP 204 Ca -0.32 -0.66 -0.05 0.00 -0.39 0.00 0.00 57.03 55.60 1sqd h ASP 204 Cb 1.15 -0.04 -0.14 0.00 0.68 0.00 0.00 39.33 40.98 1sqd h ASP 204 CO 0.83 1.57 0.00 -1.38 -1.61 0.00 0.00 179.24 178.65 1sqd s HIS 205 N -2.41 -0.33 -0.09 0.28 -3.43 -1.19 -4.32 115.29 103.80 1sqd s HIS 205 Ca -0.26 0.18 0.00 0.00 -0.80 0.00 0.00 55.06 54.18 1sqd s HIS 205 Cb 0.06 0.33 0.02 0.00 -1.43 0.00 0.00 32.58 31.55 1sqd s HIS 205 CO 0.65 -0.69 -0.07 0.00 -2.00 0.00 0.00 174.74 172.64 1sqd s ALA 206 N -3.19 1.13 -0.07 -1.38 0.00 -1.02 -1.14 121.76 116.09 1sqd s ALA 206 Ca -0.01 -0.39 0.02 0.00 0.00 0.00 0.00 51.96 51.58 1sqd s ALA 206 Cb 0.00 -0.75 -0.02 0.00 0.00 0.00 0.00 23.12 22.35 1sqd s ALA 206 CO -0.08 -0.26 -0.12 0.08 0.00 0.00 0.00 175.76 175.38 1sqd s VAL 207 N 1.43 3.24 0.03 0.00 1.01 -0.58 -3.24 120.40 122.30 1sqd s VAL 207 Ca -0.01 -0.64 0.04 0.00 0.00 0.00 0.00 61.98 61.37 1sqd s VAL 207 Cb -0.13 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 1sqd s VAL 207 CO -0.04 0.58 -0.06 -0.83 0.00 0.00 0.00 175.10 174.74 1sqd s GLY 208 N -0.51 1.78 -0.19 4.51 0.00 -0.59 0.64 107.32 112.97 1sqd s GLY 208 Ca 0.07 -1.07 -0.07 0.00 0.00 0.00 0.00 44.72 43.65 1sqd s GLY 208 CO 0.02 -0.98 0.05 -1.31 0.00 0.00 0.00 173.10 170.88 1sqd s ASN 209 N -1.69 5.40 0.15 1.64 0.02 0.79 -1.06 114.94 120.19 1sqd s ASN 209 Ca 0.19 -0.01 0.03 0.00 -1.02 0.00 0.00 52.86 52.05 1sqd s ASN 209 Cb -0.11 -1.93 -0.04 0.00 0.02 0.00 0.00 41.25 39.19 1sqd s ASN 209 CO 0.10 0.13 -0.05 0.68 0.02 0.00 0.00 177.10 177.98 1sqd s VAL 210 N 0.61 0.87 0.15 1.60 -7.23 -0.30 -1.81 120.40 114.30 1sqd s VAL 210 Ca 0.02 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.12 1sqd s VAL 210 Cb -0.13 -1.93 -0.07 0.00 0.56 0.00 0.00 36.38 34.81 1sqd s VAL 210 CO 0.02 -0.66 1.45 1.55 -0.31 0.00 0.00 175.10 177.14 1sqd h PRO 211 N 2.78 0.74 -3.69 4.82 0.13 -1.97 -3.37 132.00 131.44 1sqd h PRO 211 Ca -0.36 -0.47 -0.52 0.00 -0.87 0.00 0.00 66.00 63.78 1sqd h PRO 211 Cb 1.19 0.06 -0.39 0.00 0.13 0.00 0.00 31.00 31.98 1sqd h PRO 211 CO 0.64 1.09 -0.77 -1.21 -0.23 0.00 0.00 178.00 177.52 1sqd s GLU 212 N -4.07 0.80 0.02 0.86 2.02 -1.26 -4.52 118.70 112.56 1sqd s GLU 212 Ca -0.09 -0.40 -0.24 0.00 0.02 0.00 0.00 54.97 54.27 1sqd s GLU 212 Cb 0.11 -1.97 -0.17 0.00 0.10 0.00 0.00 34.13 32.20 1sqd s GLU 212 CO 0.87 -0.57 1.42 1.25 0.02 0.00 0.00 175.26 178.25 1sqd h LEU 213 N 8.22 0.09 -0.53 1.80 5.85 -1.87 -3.15 115.31 125.72 1sqd h LEU 213 Ca -0.18 -0.35 0.05 0.00 0.84 0.00 0.00 57.88 58.25 1sqd h LEU 213 Cb 1.12 -0.02 -0.08 0.00 0.37 0.00 0.00 40.66 42.04 1sqd h LEU 213 CO 0.34 0.42 -0.47 1.23 -0.34 0.00 0.00 178.44 179.61 1sqd h GLY 214 N -0.24 -1.17 1.69 3.75 0.00 -2.00 0.07 103.07 105.17 1sqd h GLY 214 Ca 0.01 0.79 -0.06 0.00 0.00 0.00 0.00 47.33 48.07 1sqd h GLY 214 CO 0.00 -0.19 -0.11 -2.55 0.00 0.00 0.00 176.54 173.70 1sqd h PRO 215 N -0.20 0.38 -0.44 4.80 0.11 -2.00 -1.60 132.00 133.05 1sqd h PRO 215 Ca 0.09 -0.10 -0.10 0.00 0.11 0.00 0.00 66.00 66.00 1sqd h PRO 215 Cb 0.43 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.48 1sqd h PRO 215 CO -0.61 0.50 -0.13 0.00 -0.21 0.00 0.00 178.00 177.55 1sqd h ALA 216 N 1.53 0.61 0.13 -0.75 0.00 -1.30 -1.74 119.26 117.74 1sqd h ALA 216 Ca 0.07 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1sqd h ALA 216 Cb 0.42 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1sqd h ALA 216 CO 0.02 0.52 -0.06 -0.07 0.00 0.00 0.00 179.25 179.66 1sqd h LEU 217 N 0.70 -0.15 -0.53 0.00 3.38 -0.68 -2.15 115.31 115.88 1sqd h LEU 217 Ca 0.11 -0.08 0.10 0.00 0.09 0.00 0.00 57.88 58.11 1sqd h LEU 217 Cb 0.68 0.04 -0.09 0.00 0.09 0.00 0.00 40.66 41.38 1sqd h LEU 217 CO 0.05 -0.02 0.00 0.74 0.09 0.00 0.00 178.44 179.30 1sqd h THR 218 N -0.27 0.58 0.50 0.22 2.02 -1.29 0.27 112.91 114.94 1sqd h THR 218 Ca -0.02 -0.04 -0.02 0.00 0.77 0.00 0.00 66.41 67.10 1sqd h THR 218 Cb 0.21 0.45 -0.00 0.00 -1.74 0.00 0.00 68.15 67.07 1sqd h THR 218 CO 0.03 0.02 -0.29 0.22 0.37 0.00 0.00 175.52 175.87 1sqd h TYR 219 N 0.12 -0.76 -0.16 3.16 3.20 -1.25 0.10 116.97 121.37 1sqd h TYR 219 Ca 0.27 -0.01 -0.11 0.00 3.14 0.00 0.00 58.73 62.02 1sqd h TYR 219 Cb 0.42 0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.95 1sqd h TYR 219 CO -0.33 -0.45 -0.33 0.28 -1.64 0.00 0.00 178.16 175.69 1sqd h VAL 220 N -0.74 1.35 -0.50 1.81 2.07 -1.02 -2.37 116.25 116.85 1sqd h VAL 220 Ca -0.06 -1.59 -0.06 0.00 0.82 0.00 0.00 66.70 65.82 1sqd h VAL 220 Cb 0.60 1.96 -0.02 0.00 -1.52 0.00 0.00 31.29 32.31 1sqd h VAL 220 CO 0.07 0.48 0.08 0.00 0.02 0.00 0.00 177.57 178.22 1sqd h ALA 221 N 0.57 1.20 -0.52 1.67 0.00 -1.05 -2.07 119.26 119.05 1sqd h ALA 221 Ca 0.00 -0.22 0.10 0.00 0.00 0.00 0.00 54.91 54.79 1sqd h ALA 221 Cb 0.93 -0.20 -0.11 0.00 0.00 0.00 0.00 17.79 18.41 1sqd h ALA 221 CO 0.07 0.54 -0.26 0.78 0.00 0.00 0.00 179.25 180.38 1sqd h GLY 222 N 0.95 0.05 0.73 0.00 0.00 -0.55 -0.21 103.07 104.05 1sqd h GLY 222 Ca 0.16 0.34 0.00 0.00 0.00 0.00 0.00 47.33 47.82 1sqd h GLY 222 CO 0.01 -0.22 -1.02 1.97 0.00 0.00 0.00 176.54 177.28 1sqd n PHE 223 N -5.42 0.44 -0.11 5.60 1.16 -0.91 -4.37 117.46 113.85 1sqd n PHE 223 Ca 0.04 0.13 -0.15 0.00 -1.87 0.00 0.00 57.45 55.60 1sqd n PHE 223 Cb 0.33 -0.59 -0.11 0.00 -1.61 0.00 0.00 39.48 37.50 1sqd n PHE 223 CO 0.00 0.00 0.00 0.25 -1.87 0.00 0.00 176.76 175.14 1sqd n THR 224 N -2.16 1.30 -0.55 1.97 -2.24 -0.80 -4.29 114.28 107.51 1sqd n THR 224 Ca 0.01 -0.55 0.00 0.00 -2.27 0.00 0.00 64.05 61.24 1sqd n THR 224 Cb 0.47 -1.17 0.00 0.00 -2.10 0.00 0.00 70.33 67.53 1sqd n THR 224 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sqd n GLY 225 N 2.31 0.75 3.77 3.38 0.00 -0.09 0.21 105.19 115.51 1sqd n GLY 225 Ca -0.39 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.23 1sqd n GLY 225 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1sqd s PHE 226 N -2.50 2.47 0.20 1.61 2.99 -1.26 -3.13 117.98 118.36 1sqd s PHE 226 Ca 0.00 1.20 0.04 0.00 0.00 0.00 0.00 56.93 58.18 1sqd s PHE 226 Cb 0.00 -3.99 -0.03 0.00 0.00 0.00 0.00 43.02 38.99 1sqd s PHE 226 CO 0.00 -3.06 0.27 -3.38 -0.00 0.00 0.00 175.22 169.05 1sqd s HIS 227 N -1.16 3.36 -0.32 0.36 -3.43 -0.73 -4.68 115.29 108.69 1sqd s HIS 227 Ca 0.58 0.02 -0.29 0.00 -0.80 0.00 0.00 55.06 54.57 1sqd s HIS 227 Cb -0.46 -1.57 -0.00 0.00 -1.43 0.00 0.00 32.58 29.12 1sqd s HIS 227 CO 0.60 0.49 1.39 -1.14 -2.00 0.00 0.00 174.74 174.08 1sqd s GLN 228 N -3.54 3.80 -0.03 -0.38 0.74 -1.26 -0.96 119.66 118.03 1sqd s GLN 228 Ca 0.33 1.23 -0.06 0.00 0.05 0.00 0.00 55.36 56.92 1sqd s GLN 228 Cb -0.10 -3.95 -0.29 0.00 1.10 0.00 0.00 33.01 29.78 1sqd s GLN 228 CO 0.27 -1.27 0.72 0.35 -0.55 0.00 0.00 175.29 174.81 1sqd h PHE 229 N 9.93 0.55 -2.58 1.67 3.57 -0.82 -3.44 116.94 125.82 1sqd h PHE 229 Ca -0.28 -0.40 0.13 0.00 3.53 0.00 0.00 57.97 60.95 1sqd h PHE 229 Cb 1.11 -0.02 -0.06 0.00 2.79 0.00 0.00 35.95 39.77 1sqd h PHE 229 CO 0.91 1.53 0.42 0.00 -2.23 0.00 0.00 178.31 178.94 1sqd s ALA 230 N -2.59 -1.46 -0.10 2.41 0.00 -1.15 -4.94 121.76 113.93 1sqd s ALA 230 Ca -0.13 -0.11 -0.16 0.00 0.00 0.00 0.00 51.96 51.55 1sqd s ALA 230 Cb 0.06 0.71 0.04 0.00 0.00 0.00 0.00 23.12 23.93 1sqd s ALA 230 CO 0.84 -1.04 0.41 -1.21 0.00 0.00 0.00 175.76 174.76 1sqd s GLU 231 N -3.21 0.61 0.15 0.00 2.02 -1.26 0.29 118.70 117.29 1sqd s GLU 231 Ca 0.13 0.30 0.11 0.00 0.02 0.00 0.00 54.97 55.52 1sqd s GLU 231 Cb -0.03 0.29 -0.04 0.00 0.10 0.00 0.00 34.13 34.45 1sqd s GLU 231 CO 0.05 -0.13 -0.24 0.12 0.02 0.00 0.00 175.26 175.07 1sqd s PHE 232 N -0.43 2.19 -0.41 1.61 5.36 -0.47 -4.96 117.98 120.88 1sqd s PHE 232 Ca -0.06 -0.39 0.06 0.00 -0.96 0.00 0.00 56.93 55.59 1sqd s PHE 232 Cb -0.03 -1.15 0.21 0.00 -0.34 0.00 0.00 43.02 41.71 1sqd s PHE 232 CO 0.03 0.37 0.45 2.41 -1.46 0.00 0.00 175.22 177.02 1sqd n THR 233 N 0.69 -0.90 -0.80 0.12 -1.04 -1.26 -1.72 114.28 109.37 1sqd n THR 233 Ca -0.16 -3.57 0.00 0.00 -2.04 0.00 0.00 64.05 58.28 1sqd n THR 233 Cb 0.54 -1.62 0.00 0.00 -1.82 0.00 0.00 70.33 67.43 1sqd n THR 233 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1sqd n SER 242 N 2.12 0.00 0.00 8.00 7.64 -1.26 -5.03 113.62 125.09 1sqd n SER 242 Ca 0.25 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.13 1sqd n SER 242 Cb 0.51 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 1sqd n SER 242 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1sqd n GLY 243 N -0.12 2.81 3.15 0.23 0.00 -1.26 -5.01 105.19 104.98 1sqd n GLY 243 Ca 0.00 -0.85 -0.10 0.00 0.00 0.00 0.00 46.02 45.06 1sqd n GLY 243 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1sqd s LEU 244 N 0.00 1.56 -0.02 0.99 2.34 -1.26 -1.26 118.68 121.03 1sqd s LEU 244 Ca 0.00 -0.42 0.02 0.00 0.06 0.00 0.00 54.13 53.79 1sqd s LEU 244 Cb 0.00 0.79 -0.03 0.00 -0.56 0.00 0.00 46.19 46.38 1sqd s LEU 244 CO 0.00 -0.52 -0.06 0.20 -1.06 0.00 0.00 176.35 174.91 1sqd s ASN 245 N -2.03 4.68 0.09 1.48 0.02 -0.91 -4.59 114.94 113.68 1sqd s ASN 245 Ca -0.06 -0.09 -0.05 0.00 -1.02 0.00 0.00 52.86 51.64 1sqd s ASN 245 Cb -0.02 -1.13 -0.02 0.00 0.02 0.00 0.00 41.25 40.10 1sqd s ASN 245 CO -0.04 0.31 0.10 -0.55 0.02 0.00 0.00 177.10 176.94 1sqd s SER 246 N -1.24 0.27 -0.07 -1.22 0.15 -0.70 -1.29 113.70 109.61 1sqd s SER 246 Ca 0.16 -0.87 -0.25 0.00 0.70 0.00 0.00 55.95 55.69 1sqd s SER 246 Cb -0.11 0.29 0.06 0.00 -1.71 0.00 0.00 66.02 64.55 1sqd s SER 246 CO 0.06 -0.70 0.57 0.00 1.20 0.00 0.00 173.24 174.37 1sqd s ALA 247 N -3.92 -1.47 -0.11 5.45 0.00 -0.66 -1.36 121.76 119.69 1sqd s ALA 247 Ca 0.09 1.13 0.00 0.00 0.00 0.00 0.00 51.96 53.18 1sqd s ALA 247 Cb 0.06 -0.14 -0.02 0.00 0.00 0.00 0.00 23.12 23.03 1sqd s ALA 247 CO -0.08 -0.33 -0.12 0.08 0.00 0.00 0.00 175.76 175.31 1sqd s VAL 248 N -0.99 3.13 -0.11 0.00 1.01 0.84 -0.67 120.40 123.61 1sqd s VAL 248 Ca -0.10 -0.65 -0.04 0.00 0.00 0.00 0.00 61.98 61.19 1sqd s VAL 248 Cb -0.02 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 1sqd s VAL 248 CO 0.07 0.54 0.05 -0.76 0.00 0.00 0.00 175.10 175.00 1sqd s LEU 249 N 0.07 3.86 0.03 3.92 1.43 -0.98 -0.07 118.68 126.93 1sqd s LEU 249 Ca -0.05 0.24 0.00 0.00 -1.03 0.00 0.00 54.13 53.29 1sqd s LEU 249 Cb -0.14 -1.91 -0.02 0.00 0.03 0.00 0.00 46.19 44.14 1sqd s LEU 249 CO 0.04 0.37 -0.04 0.00 0.23 0.00 0.00 176.35 176.95 1sqd s ALA 250 N -0.80 0.24 1.08 4.21 0.00 -0.14 -0.54 121.76 125.80 1sqd s ALA 250 Ca 0.13 -0.70 -0.17 0.00 0.00 0.00 0.00 51.96 51.22 1sqd s ALA 250 Cb -0.12 0.15 0.24 0.00 0.00 0.00 0.00 23.12 23.39 1sqd s ALA 250 CO 0.03 -0.17 1.18 -1.54 0.00 0.00 0.00 175.76 175.26 1sqd s SER 251 N -1.67 2.04 0.16 0.00 1.04 -0.78 -1.77 113.70 112.72 1sqd s SER 251 Ca -0.12 0.57 -0.17 0.00 0.48 0.00 0.00 55.95 56.71 1sqd s SER 251 Cb -0.08 -0.80 0.08 0.00 0.10 0.00 0.00 66.02 65.32 1sqd s SER 251 CO -0.02 -3.42 1.69 0.78 0.98 0.00 0.00 173.24 173.25 1sqd h ASN 252 N -2.11 -0.20 -0.31 7.02 2.35 -1.92 -0.43 115.58 119.98 1sqd h ASN 252 Ca -0.46 0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.38 1sqd h ASN 252 Cb 1.28 0.17 0.00 0.00 0.05 0.00 0.00 38.32 39.82 1sqd h ASN 252 CO 0.40 -0.06 0.00 -0.90 -1.65 0.00 0.00 177.43 175.21 1sqd n ASP 253 N -5.21 1.98 -2.62 5.81 5.68 -1.26 -4.82 116.55 116.11 1sqd n ASP 253 Ca 0.02 -1.90 -0.21 0.00 -0.50 0.00 0.00 54.79 52.20 1sqd n ASP 253 Cb 0.19 -0.20 0.01 0.00 -1.14 0.00 0.00 41.12 39.97 1sqd n ASP 253 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1sqd n GLU 254 N 0.55 -2.79 -0.01 0.11 1.02 -0.17 -4.45 120.64 114.90 1sqd n GLU 254 Ca 0.14 0.95 0.10 0.00 -0.02 0.00 0.00 57.16 58.34 1sqd n GLU 254 Cb 0.34 -5.69 -0.15 0.00 -0.02 0.00 0.00 31.44 25.92 1sqd n GLU 254 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 1sqd n MET 255 N -3.35 0.60 -3.56 3.49 2.81 -1.26 -4.19 117.12 111.65 1sqd n MET 255 Ca -0.20 -0.18 -0.40 0.00 -1.81 0.00 0.00 57.70 55.12 1sqd n MET 255 Cb 0.66 -1.47 -0.11 0.00 -0.71 0.00 0.00 33.22 31.59 1sqd n MET 255 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1sqd s VAL 256 N -3.37 5.15 -0.14 2.03 1.01 -1.26 -4.63 120.40 119.18 1sqd s VAL 256 Ca -0.07 -0.22 0.01 0.00 0.00 0.00 0.00 61.98 61.70 1sqd s VAL 256 Cb 0.13 -3.62 0.02 0.00 0.00 0.00 0.00 36.38 32.91 1sqd s VAL 256 CO 0.82 0.03 -0.14 -0.76 0.00 0.00 0.00 175.10 175.05 1sqd s LEU 257 N 1.70 1.70 -0.50 3.92 1.43 -1.26 -1.87 118.68 123.80 1sqd s LEU 257 Ca 0.06 -0.48 0.03 0.00 -1.03 0.00 0.00 54.13 52.71 1sqd s LEU 257 Cb -0.17 -1.17 0.14 0.00 0.03 0.00 0.00 46.19 45.02 1sqd s LEU 257 CO 0.10 -0.04 0.29 -0.76 0.23 0.00 0.00 176.35 176.17 1sqd s LEU 258 N 1.38 3.23 0.49 1.79 1.43 0.30 -2.43 118.68 124.87 1sqd s LEU 258 Ca 0.03 -2.94 -0.20 0.00 -1.03 0.00 0.00 54.13 49.98 1sqd s LEU 258 Cb -0.13 -1.19 -0.08 0.00 0.03 0.00 0.00 46.19 44.81 1sqd s LEU 258 CO -0.09 -0.22 1.05 -2.84 0.23 0.00 0.00 176.35 174.48 1sqd s PRO 259 N -0.10 3.75 -0.03 1.29 0.02 -1.20 -2.32 135.00 136.41 1sqd s PRO 259 Ca 0.20 1.40 0.02 0.00 0.02 0.00 0.00 61.00 62.64 1sqd s PRO 259 Cb -0.19 -2.09 0.01 0.00 0.02 0.00 0.00 34.50 32.25 1sqd s PRO 259 CO -0.04 -0.48 -0.06 0.42 -0.33 0.00 0.00 177.00 176.50 1sqd s ILE 260 N -1.94 0.57 0.11 2.83 1.01 0.15 -1.54 121.20 122.39 1sqd s ILE 260 Ca 0.68 -0.21 0.08 0.00 0.00 0.00 0.00 60.65 61.20 1sqd s ILE 260 Cb -0.18 -0.55 -0.04 0.00 0.01 0.00 0.00 42.46 41.71 1sqd s ILE 260 CO 0.21 0.21 -0.13 0.20 0.00 0.00 0.00 174.94 175.42 1sqd s ASN 261 N 0.48 4.19 0.18 3.58 0.02 -0.22 -1.65 114.94 121.52 1sqd s ASN 261 Ca -0.06 -0.46 0.07 0.00 -1.02 0.00 0.00 52.86 51.39 1sqd s ASN 261 Cb -0.10 -0.72 -0.04 0.00 0.02 0.00 0.00 41.25 40.40 1sqd s ASN 261 CO 0.00 0.18 -0.14 -1.83 0.02 0.00 0.00 177.10 175.33 1sqd s GLU 262 N -2.17 1.26 0.57 -0.60 -1.05 -0.41 -1.15 118.70 115.14 1sqd s GLU 262 Ca 0.20 -1.52 -0.14 0.00 -0.15 0.00 0.00 54.97 53.36 1sqd s GLU 262 Cb -0.11 -1.05 -0.06 0.00 -0.44 0.00 0.00 34.13 32.47 1sqd s GLU 262 CO 0.12 0.18 1.01 -1.25 0.95 0.00 0.00 175.26 176.27 1sqd s PRO 263 N -3.48 3.70 -0.20 -4.83 0.04 -1.26 -2.14 135.00 126.85 1sqd s PRO 263 Ca 0.20 0.92 0.01 0.00 0.04 0.00 0.00 61.00 62.17 1sqd s PRO 263 Cb -0.01 -2.10 0.03 0.00 0.04 0.00 0.00 34.50 32.46 1sqd s PRO 263 CO 0.06 -0.48 -0.18 0.08 0.04 0.00 0.00 177.00 176.52 1sqd s VAL 264 N -2.80 2.07 -0.11 -0.36 1.01 -0.39 -4.66 120.40 115.16 1sqd s VAL 264 Ca 0.58 -1.08 -0.12 0.00 0.00 0.00 0.00 61.98 61.36 1sqd s VAL 264 Cb -0.11 -1.94 -0.05 0.00 0.00 0.00 0.00 36.38 34.28 1sqd s VAL 264 CO 0.40 0.41 0.28 -1.00 0.00 0.00 0.00 175.10 175.19 1sqd s HIS 265 N 1.26 3.57 0.00 5.22 3.76 -1.26 -4.63 115.29 123.20 1sqd s HIS 265 Ca 0.02 0.68 0.00 0.00 -0.15 0.00 0.00 55.06 55.61 1sqd s HIS 265 Cb -0.15 -2.21 0.00 0.00 1.11 0.00 0.00 32.58 31.33 1sqd s HIS 265 CO -0.11 0.49 0.00 0.41 -0.85 0.00 0.00 174.74 174.68 1sqd n GLY 266 N 2.57 0.44 3.92 -2.22 0.00 -1.26 -5.15 105.19 103.50 1sqd n GLY 266 Ca -0.15 -0.39 -0.26 0.00 0.00 0.00 0.00 46.02 45.22 1sqd n GLY 266 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sqd s LYS 270 N -2.72 3.55 0.31 1.61 1.02 -1.26 -5.09 119.74 117.15 1sqd s LYS 270 Ca 0.00 -0.04 -0.30 0.00 0.02 0.00 0.00 55.97 55.66 1sqd s LYS 270 Cb 0.00 -2.54 -0.12 0.00 -0.52 0.00 0.00 37.83 34.65 1sqd s LYS 270 CO 0.00 0.02 1.49 0.45 -0.92 0.00 0.00 175.35 176.39 1sqd n SER 271 N -1.79 3.48 0.09 2.83 2.88 -1.26 -4.89 113.62 114.94 1sqd n SER 271 Ca -0.02 1.17 0.04 0.00 -1.33 0.00 0.00 58.87 58.74 1sqd n SER 271 Cb 0.55 -1.55 0.46 0.00 -0.75 0.00 0.00 64.21 62.92 1sqd n SER 271 CO 0.00 0.00 0.00 0.06 -1.23 0.00 0.00 175.04 173.87 1sqd h GLN 272 N 3.97 0.35 -0.51 -1.46 -0.00 -1.95 -1.36 115.11 114.14 1sqd h GLN 272 Ca -0.47 -0.04 -0.11 0.00 -0.00 0.00 0.00 58.65 58.03 1sqd h GLN 272 Cb 1.25 -0.07 -0.02 0.00 -0.00 0.00 0.00 27.48 28.64 1sqd h GLN 272 CO 0.73 0.29 -0.10 0.82 -0.00 0.00 0.00 178.83 180.57 1sqd h ILE 273 N 0.35 1.27 -0.21 1.86 1.08 -1.90 -1.71 117.51 118.24 1sqd h ILE 273 Ca 0.09 -1.24 -0.01 0.00 -0.39 0.00 0.00 64.86 63.31 1sqd h ILE 273 Cb 0.07 0.98 -0.01 0.00 -3.07 0.00 0.00 36.82 34.78 1sqd h ILE 273 CO -0.01 0.43 0.09 -0.61 -0.69 0.00 0.00 178.15 177.36 1sqd h GLN 274 N 0.86 0.31 -0.77 2.37 5.75 -1.63 -2.05 115.11 119.96 1sqd h GLN 274 Ca 0.14 -0.05 0.07 0.00 -0.15 0.00 0.00 58.65 58.65 1sqd h GLN 274 Cb 0.65 -0.05 -0.06 0.00 1.07 0.00 0.00 27.48 29.08 1sqd h GLN 274 CO 0.04 0.36 0.45 1.15 -2.65 0.00 0.00 178.83 178.18 1sqd h THR 275 N 0.20 0.97 -0.03 2.39 2.02 -1.29 -1.75 112.91 115.41 1sqd h THR 275 Ca 0.07 -0.27 0.04 0.00 0.77 0.00 0.00 66.41 67.01 1sqd h THR 275 Cb 0.16 0.11 -0.05 0.00 -1.74 0.00 0.00 68.15 66.62 1sqd h THR 275 CO -0.01 0.15 -0.32 0.22 0.37 0.00 0.00 175.52 175.93 1sqd h TYR 276 N 0.80 -0.87 -0.66 3.16 3.20 -1.05 -1.50 116.97 120.05 1sqd h TYR 276 Ca 0.35 0.03 0.08 0.00 3.14 0.00 0.00 58.73 62.33 1sqd h TYR 276 Cb 0.23 0.39 -0.07 0.00 1.54 0.00 0.00 36.73 38.82 1sqd h TYR 276 CO -0.06 -0.40 0.31 -0.07 -1.64 0.00 0.00 178.16 176.30 1sqd h LEU 277 N -0.45 0.40 -0.02 2.82 3.38 -0.71 0.81 115.31 121.55 1sqd h LEU 277 Ca 0.07 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 1sqd h LEU 277 Cb 0.55 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 1sqd h LEU 277 CO -0.29 0.24 0.01 -0.33 0.09 0.00 0.00 178.44 178.17 1sqd h GLU 278 N 0.55 0.03 -0.00 1.13 5.08 -1.08 0.16 114.58 120.45 1sqd h GLU 278 Ca 0.32 -0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.56 1sqd h GLU 278 Cb 0.32 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 1sqd h GLU 278 CO -0.25 0.14 -0.54 0.45 -1.00 0.00 0.00 179.01 177.81 1sqd h HIS 279 N -0.08 0.01 -0.00 4.33 3.86 -0.99 -3.02 115.15 119.26 1sqd h HIS 279 Ca 0.01 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1sqd h HIS 279 Cb 0.12 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.59 1sqd h HIS 279 CO -0.04 0.55 -0.36 -1.71 0.86 0.00 0.00 177.93 177.24 1sqd n ASN 280 N -3.90 0.63 -3.29 2.45 2.85 0.25 -4.95 115.26 109.31 1sqd n ASN 280 Ca -0.01 -0.43 -0.16 0.00 -0.11 0.00 0.00 54.58 53.87 1sqd n ASN 280 Cb 0.55 0.14 0.08 0.00 1.24 0.00 0.00 39.78 41.79 1sqd n ASN 280 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1sqd n GLU 281 N -1.19 -4.41 0.00 1.20 1.02 -0.71 -4.21 120.64 112.35 1sqd n GLU 281 Ca 0.08 0.84 0.00 0.00 -0.02 0.00 0.00 57.16 58.06 1sqd n GLU 281 Cb 0.33 -5.76 0.00 0.00 -0.02 0.00 0.00 31.44 25.99 1sqd n GLU 281 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1sqd n GLY 282 N -1.18 -1.59 3.64 0.62 0.00 0.47 -4.93 105.19 102.21 1sqd n GLY 282 Ca -0.18 -2.13 -0.34 0.00 0.00 0.00 0.00 46.02 43.37 1sqd n GLY 282 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sqd n ALA 283 N -0.09 -0.41 0.00 4.61 0.00 -1.26 -4.58 120.51 118.78 1sqd n ALA 283 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.11 1sqd n ALA 283 Cb 0.00 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.29 1sqd n ALA 283 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sqd n GLY 284 N 0.80 -1.56 3.70 0.00 0.00 -0.75 -4.36 105.19 103.01 1sqd n GLY 284 Ca 0.13 -1.05 -0.42 0.00 0.00 0.00 0.00 46.02 44.67 1sqd n GLY 284 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1sqd s LEU 285 N 0.00 4.31 -0.17 0.99 0.20 -1.26 -0.15 118.68 122.60 1sqd s LEU 285 Ca 0.00 1.75 -0.15 0.00 0.69 0.00 0.00 54.13 56.41 1sqd s LEU 285 Cb 0.00 -3.56 -0.12 0.00 -0.43 0.00 0.00 46.19 42.08 1sqd s LEU 285 CO 0.00 -0.45 0.09 -0.61 -0.29 0.00 0.00 176.35 175.09 1sqd h GLN 286 N 7.07 0.00 -3.16 1.98 4.15 -0.10 -3.40 115.11 121.66 1sqd h GLN 286 Ca -0.37 0.00 -0.13 0.00 0.77 0.00 0.00 58.65 58.93 1sqd h GLN 286 Cb 1.18 0.00 -0.21 0.00 0.21 0.00 0.00 27.48 28.66 1sqd h GLN 286 CO 0.83 0.52 -0.34 -3.38 -1.93 0.00 0.00 178.83 174.52 1sqd s HIS 287 N -2.23 -0.14 -0.19 3.99 -3.43 -1.19 -1.28 115.29 110.83 1sqd s HIS 287 Ca -0.20 0.22 -0.04 0.00 -0.80 0.00 0.00 55.06 54.25 1sqd s HIS 287 Cb 0.03 0.06 -0.02 0.00 -1.43 0.00 0.00 32.58 31.22 1sqd s HIS 287 CO 0.40 -0.34 -0.03 -0.51 -2.00 0.00 0.00 174.74 172.26 1sqd s LEU 288 N -1.16 3.13 -0.30 5.38 1.43 -1.03 -1.53 118.68 124.59 1sqd s LEU 288 Ca -0.12 -0.24 -0.12 0.00 -1.03 0.00 0.00 54.13 52.63 1sqd s LEU 288 Cb -0.05 -1.78 -0.04 0.00 0.03 0.00 0.00 46.19 44.35 1sqd s LEU 288 CO 0.03 0.08 0.21 0.00 0.23 0.00 0.00 176.35 176.90 1sqd s ALA 289 N 0.88 3.51 -0.25 4.21 0.00 -0.29 -0.30 121.76 129.52 1sqd s ALA 289 Ca -0.00 -1.21 -0.08 0.00 0.00 0.00 0.00 51.96 50.67 1sqd s ALA 289 Cb -0.14 -2.55 -0.03 0.00 0.00 0.00 0.00 23.12 20.39 1sqd s ALA 289 CO 0.02 -0.72 0.09 -0.51 0.00 0.00 0.00 175.76 174.64 1sqd s LEU 290 N 1.74 3.59 0.14 0.00 1.43 0.99 0.01 118.68 126.58 1sqd s LEU 290 Ca 0.07 -0.13 -0.30 0.00 -1.03 0.00 0.00 54.13 52.73 1sqd s LEU 290 Cb -0.17 -1.96 -0.07 0.00 0.03 0.00 0.00 46.19 44.02 1sqd s LEU 290 CO 0.11 -0.01 1.05 -0.32 0.23 0.00 0.00 176.35 177.40 1sqd s MET 291 N 1.48 4.63 0.01 1.70 -2.45 0.69 -1.31 119.30 124.05 1sqd s MET 291 Ca 0.06 1.61 0.04 0.00 -1.25 0.00 0.00 55.69 56.15 1sqd s MET 291 Cb -0.15 -3.33 -0.03 0.00 1.25 0.00 0.00 34.83 32.57 1sqd s MET 291 CO 0.05 0.11 -0.11 0.45 1.05 0.00 0.00 175.02 176.57 1sqd s SER 292 N 0.02 4.31 0.00 1.11 0.15 0.54 -0.75 113.70 119.08 1sqd s SER 292 Ca 0.49 -0.23 0.29 0.00 0.70 0.00 0.00 55.95 57.20 1sqd s SER 292 Cb -0.27 -0.91 1.30 0.00 -1.71 0.00 0.00 66.02 64.43 1sqd s SER 292 CO 0.32 0.28 1.93 -1.84 1.20 0.00 0.00 173.24 175.14 1sqd n GLU 293 N 1.64 0.24 -3.25 5.44 0.28 -0.52 -4.37 120.64 120.09 1sqd n GLU 293 Ca -0.16 -0.03 -0.04 0.00 -0.16 0.00 0.00 57.16 56.77 1sqd n GLU 293 Cb 0.52 -1.50 -0.03 0.00 1.43 0.00 0.00 31.44 31.86 1sqd n GLU 293 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1sqd s ASP 294 N -2.78 -0.70 0.43 -1.84 3.68 -1.26 -5.03 116.67 109.17 1sqd s ASP 294 Ca 0.21 -0.97 0.17 0.00 2.13 0.00 0.00 52.55 54.09 1sqd s ASP 294 Cb 0.19 1.53 0.96 0.00 -1.45 0.00 0.00 42.92 44.16 1sqd s ASP 294 CO 0.51 -0.21 1.92 -0.29 0.13 0.00 0.00 175.17 177.23 1sqd h ILE 295 N 5.08 1.03 -0.16 4.11 2.10 -1.91 -0.76 117.51 127.01 1sqd h ILE 295 Ca 0.04 -0.95 -0.01 0.00 1.08 0.00 0.00 64.86 65.02 1sqd h ILE 295 Cb 1.14 1.53 -0.01 0.00 -1.09 0.00 0.00 36.82 38.40 1sqd h ILE 295 CO 0.14 0.26 0.06 -0.26 -1.08 0.00 0.00 178.15 177.26 1sqd h PHE 296 N 0.00 0.25 -0.54 2.19 0.05 -1.97 -1.47 116.94 115.45 1sqd h PHE 296 Ca -0.00 -0.02 -0.09 0.00 3.82 0.00 0.00 57.97 61.67 1sqd h PHE 296 Cb 0.51 -0.07 -0.02 0.00 2.00 0.00 0.00 35.95 38.37 1sqd h PHE 296 CO 0.00 0.34 -0.03 -0.09 -0.18 0.00 0.00 178.31 178.35 1sqd h ARG 297 N 0.09 0.97 -0.15 1.51 2.43 -1.74 -1.11 114.38 116.37 1sqd h ARG 297 Ca 0.05 -0.32 0.03 0.00 -0.81 0.00 0.00 59.98 58.93 1sqd h ARG 297 Cb 0.20 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.64 1sqd h ARG 297 CO -0.00 0.99 -0.03 1.15 -1.51 0.00 0.00 179.97 180.56 1sqd h THR 298 N 0.84 0.85 -0.14 0.20 2.02 -1.01 -1.61 112.91 114.08 1sqd h THR 298 Ca 0.15 -0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.22 1sqd h THR 298 Cb 0.57 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 1sqd h THR 298 CO 0.03 0.00 -0.37 -0.07 0.37 0.00 0.00 175.52 175.48 1sqd h LEU 299 N 0.01 0.30 -0.21 2.58 -0.00 -1.16 0.12 115.31 116.95 1sqd h LEU 299 Ca 0.07 -0.12 -0.00 0.00 -0.00 0.00 0.00 57.88 57.83 1sqd h LEU 299 Cb 0.11 -0.08 -0.01 0.00 -0.00 0.00 0.00 40.66 40.68 1sqd h LEU 299 CO -0.15 0.65 0.12 0.03 -0.00 0.00 0.00 178.44 179.08 1sqd h ARG 300 N 0.25 0.29 -0.44 1.13 3.08 -0.92 -0.87 114.38 116.90 1sqd h ARG 300 Ca 0.03 -0.03 -0.09 0.00 0.07 0.00 0.00 59.98 59.95 1sqd h ARG 300 Cb 0.77 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.75 1sqd h ARG 300 CO 0.06 0.26 -0.08 0.93 -1.07 0.00 0.00 179.97 180.06 1sqd h GLU 301 N 0.24 0.84 -0.23 0.04 4.39 -1.03 -2.03 114.58 116.80 1sqd h GLU 301 Ca 0.07 -0.31 -0.07 0.00 0.34 0.00 0.00 59.36 59.40 1sqd h GLU 301 Cb 0.05 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 1sqd h GLU 301 CO -0.01 0.94 -0.12 0.52 -1.16 0.00 0.00 179.01 179.17 1sqd h MET 302 N 0.67 0.49 -0.10 2.33 2.86 -0.72 -3.14 114.93 117.32 1sqd h MET 302 Ca 0.11 -0.22 -0.03 0.00 -2.06 0.00 0.00 59.70 57.50 1sqd h MET 302 Cb 0.61 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.25 1sqd h MET 302 CO 0.04 0.77 -0.09 0.00 1.06 0.00 0.00 176.91 178.69 1sqd h ARG 303 N 0.20 0.15 -0.36 1.72 3.08 -1.15 -1.15 114.38 116.86 1sqd h ARG 303 Ca 0.05 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1sqd h ARG 303 Cb 0.63 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.64 1sqd h ARG 303 CO 0.04 0.25 0.24 0.87 -1.07 0.00 0.00 179.97 180.29 1sqd h LYS 304 N 0.14 0.48 -0.02 0.04 1.57 -1.32 -3.15 116.57 114.33 1sqd h LYS 304 Ca 0.03 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1sqd h LYS 304 Cb 0.26 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1sqd h LYS 304 CO 0.01 0.33 -0.29 0.54 -0.57 0.00 0.00 179.45 179.47 1sqd n ARG 305 N -4.48 1.56 -0.17 3.15 1.74 -0.51 -4.65 116.66 113.30 1sqd n ARG 305 Ca 0.02 -1.10 -0.03 0.00 -0.77 0.00 0.00 57.85 55.98 1sqd n ARG 305 Cb 0.07 -1.37 0.04 0.00 -1.02 0.00 0.00 32.46 30.18 1sqd n ARG 305 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 1sqd h SER 306 N 2.55 -0.63 -0.05 0.55 0.02 -1.31 0.94 113.55 115.62 1sqd h SER 306 Ca 0.00 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 1sqd h SER 306 Cb 0.69 0.38 0.00 0.00 0.14 0.00 0.00 62.40 63.61 1sqd h SER 306 CO 0.00 -0.21 0.00 -1.20 -1.14 0.00 0.00 176.83 174.28 1sqd n SER 307 N -5.40 1.43 -2.27 3.07 7.64 -1.26 -3.35 113.62 113.48 1sqd n SER 307 Ca 0.05 -1.52 -0.20 0.00 1.01 0.00 0.00 58.87 58.21 1sqd n SER 307 Cb 0.31 -0.03 0.02 0.00 -1.01 0.00 0.00 64.21 63.50 1sqd n SER 307 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 1sqd n ILE 308 N 0.13 2.23 0.00 0.44 -5.35 -0.38 -4.89 119.36 111.52 1sqd n ILE 308 Ca 0.19 -4.10 0.00 0.00 -0.27 0.00 0.00 62.75 58.56 1sqd n ILE 308 Cb 0.33 -0.70 0.00 0.00 -1.74 0.00 0.00 39.64 37.53 1sqd n ILE 308 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1sqd n GLY 309 N -0.61 1.19 0.00 3.28 0.00 -1.18 -4.99 105.19 102.87 1sqd n GLY 309 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.38 1sqd n GLY 309 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sqd n GLY 310 N -0.60 1.55 3.49 -0.02 0.00 0.19 -4.61 105.19 105.20 1sqd n GLY 310 Ca 0.00 -1.72 -0.33 0.00 0.00 0.00 0.00 46.02 43.97 1sqd n GLY 310 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1sqd s PHE 311 N 2.23 2.93 0.53 1.61 0.40 -1.26 -4.78 117.98 119.65 1sqd s PHE 311 Ca 0.00 -0.28 -0.15 0.00 -0.60 0.00 0.00 56.93 55.91 1sqd s PHE 311 Cb 0.00 -1.84 -0.07 0.00 0.51 0.00 0.00 43.02 41.62 1sqd s PHE 311 CO 0.00 0.04 0.98 -0.51 0.70 0.00 0.00 175.22 176.44 1sqd s ASP 312 N -0.04 6.52 0.11 1.36 1.01 -1.26 -4.24 116.67 120.12 1sqd s ASP 312 Ca -0.00 1.50 0.07 0.00 0.71 0.00 0.00 52.55 54.83 1sqd s ASP 312 Cb -0.13 -2.49 -0.04 0.00 1.01 0.00 0.00 42.92 41.27 1sqd s ASP 312 CO 0.03 -0.65 -0.12 -0.36 0.21 0.00 0.00 175.17 174.29 1sqd s PHE 313 N -2.75 2.70 0.77 4.23 0.40 -1.26 -0.80 117.98 121.27 1sqd s PHE 313 Ca 0.57 -0.18 -0.15 0.00 -0.60 0.00 0.00 56.93 56.58 1sqd s PHE 313 Cb -0.10 -1.42 0.04 0.00 0.51 0.00 0.00 43.02 42.05 1sqd s PHE 313 CO 0.37 0.42 1.02 -1.33 0.70 0.00 0.00 175.22 176.40 1sqd n MET 314 N 0.74 0.34 -1.67 0.44 2.81 -0.71 -4.60 117.12 114.47 1sqd n MET 314 Ca -0.14 0.18 -0.43 0.00 -1.81 0.00 0.00 57.70 55.50 1sqd n MET 314 Cb 0.52 -2.28 -0.01 0.00 -0.71 0.00 0.00 33.22 30.74 1sqd n MET 314 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 1sqd n PRO 315 N -2.38 1.88 -2.27 0.03 -0.04 -1.26 -4.95 135.00 126.00 1sqd n PRO 315 Ca 0.13 0.66 -0.33 0.00 -0.04 0.00 0.00 63.50 63.92 1sqd n PRO 315 Cb 0.50 -2.18 -0.01 0.00 -0.04 0.00 0.00 33.50 31.76 1sqd n PRO 315 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1sqd s SER 316 N -0.40 6.10 0.74 3.54 0.01 -1.26 -5.03 113.70 117.41 1sqd s SER 316 Ca 0.57 1.82 -0.15 0.00 1.31 0.00 0.00 55.95 59.49 1sqd s SER 316 Cb -0.60 -2.54 0.04 0.00 0.21 0.00 0.00 66.02 63.13 1sqd s SER 316 CO 0.61 -0.95 1.23 -2.65 0.41 0.00 0.00 173.24 171.89 1sqd n PRO 317 N -1.59 0.58 -0.77 12.44 -0.02 -1.26 -5.02 135.00 139.36 1sqd n PRO 317 Ca 0.09 0.27 -0.31 0.00 -2.02 0.00 0.00 63.50 61.53 1sqd n PRO 317 Cb 0.53 -2.46 0.27 0.00 -0.02 0.00 0.00 33.50 31.82 1sqd n PRO 317 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1sqd s PRO 318 N -3.76 -2.28 0.21 0.52 0.04 -1.26 -4.92 135.00 123.54 1sqd s PRO 318 Ca 0.77 -0.10 0.04 0.00 0.04 0.00 0.00 61.00 61.75 1sqd s PRO 318 Cb -0.33 -1.47 0.15 0.00 0.04 0.00 0.00 34.50 32.88 1sqd s PRO 318 CO 0.46 -4.40 1.49 -1.00 0.04 0.00 0.00 177.00 173.59 1sqd h PRO 319 N -3.07 0.22 -0.24 0.56 0.13 -1.95 -2.96 132.00 124.68 1sqd h PRO 319 Ca -0.42 -0.18 0.07 0.00 -0.87 0.00 0.00 66.00 64.60 1sqd h PRO 319 Cb 1.31 0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.47 1sqd h PRO 319 CO 0.27 0.84 0.18 1.79 -0.23 0.00 0.00 178.00 180.84 1sqd h THR 320 N 0.14 0.87 -0.40 1.56 1.35 -1.92 0.13 112.91 114.64 1sqd h THR 320 Ca -0.02 0.00 -0.06 0.00 -0.55 0.00 0.00 66.41 65.78 1sqd h THR 320 Cb 1.27 0.88 -0.01 0.00 -1.73 0.00 0.00 68.15 68.55 1sqd h THR 320 CO 0.11 0.00 0.00 0.22 -0.25 0.00 0.00 175.52 175.60 1sqd h TYR 321 N 0.00 0.76 -0.29 4.73 3.20 -1.80 -2.50 116.97 121.07 1sqd h TYR 321 Ca 0.11 -0.13 -0.12 0.00 3.14 0.00 0.00 58.73 61.73 1sqd h TYR 321 Cb 0.46 -0.20 -0.00 0.00 1.54 0.00 0.00 36.73 38.53 1sqd h TYR 321 CO 0.00 0.77 -0.30 1.88 -1.64 0.00 0.00 178.16 178.87 1sqd h TYR 322 N 0.52 0.86 -0.99 -3.82 -1.99 -0.95 -2.29 116.97 108.32 1sqd h TYR 322 Ca 0.11 -0.26 0.05 0.00 2.00 0.00 0.00 58.73 60.63 1sqd h TYR 322 Cb 0.47 -0.18 -0.06 0.00 2.00 0.00 0.00 36.73 38.96 1sqd h TYR 322 CO 0.04 1.02 0.64 1.96 -0.00 0.00 0.00 178.16 181.82 1sqd h GLN 323 N 0.46 1.17 0.00 4.88 1.08 -1.01 0.72 115.11 122.40 1sqd h GLN 323 Ca 0.04 -0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 1sqd h GLN 323 Cb 0.88 -0.26 0.00 0.00 -0.05 0.00 0.00 27.48 28.05 1sqd h GLN 323 CO 0.07 0.77 0.00 -0.91 -0.95 0.00 0.00 178.83 177.82 1sqd h ASN 324 N 1.20 0.00 0.51 1.46 -0.26 -1.24 -2.94 115.58 114.32 1sqd h ASN 324 Ca 0.41 0.00 -0.20 0.00 -0.56 0.00 0.00 56.30 55.95 1sqd h ASN 324 Cb 0.09 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.34 1sqd h ASN 324 CO -0.14 0.00 -0.87 -0.07 -1.06 0.00 0.00 177.43 175.29 1sqd h LEU 325 N 0.00 0.32 -0.91 1.61 3.38 -0.26 -3.04 115.31 116.39 1sqd h LEU 325 Ca 0.00 -0.25 0.13 0.00 0.09 0.00 0.00 57.88 57.85 1sqd h LEU 325 Cb 0.29 -0.10 -0.14 0.00 0.09 0.00 0.00 40.66 40.81 1sqd h LEU 325 CO 0.00 1.04 -0.41 0.29 0.09 0.00 0.00 178.44 179.45 1sqd n LYS 326 N -3.69 -0.27 -0.11 1.13 5.02 -1.11 -1.73 118.16 117.40 1sqd n LYS 326 Ca -0.04 1.40 -0.05 0.00 -2.02 0.00 0.00 58.31 57.60 1sqd n LYS 326 Cb 0.80 -2.07 0.02 0.00 -0.02 0.00 0.00 35.03 33.76 1sqd n LYS 326 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1sqd h LYS 327 N 0.00 0.14 0.00 1.97 1.57 -1.70 -2.22 116.57 116.33 1sqd h LYS 327 Ca 0.27 -0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.95 1sqd h LYS 327 Cb 0.50 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 1sqd h LYS 327 CO -0.90 0.09 -0.99 0.00 -0.57 0.00 0.00 179.45 177.09 1sqd h ARG 328 N 0.14 0.00 0.00 3.15 3.08 -1.32 -3.38 114.38 116.04 1sqd h ARG 328 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.23 1sqd h ARG 328 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.29 1sqd h ARG 328 CO -0.27 0.21 -0.20 1.33 -1.07 0.00 0.00 179.97 179.96 1sqd n VAL 329 N -2.90 0.34 -0.45 2.04 0.24 -0.99 -4.88 118.33 111.72 1sqd n VAL 329 Ca -0.03 -0.38 0.38 0.00 -2.04 0.00 0.00 64.34 62.26 1sqd n VAL 329 Cb 0.70 0.59 0.70 0.00 -1.47 0.00 0.00 33.84 34.36 1sqd n VAL 329 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 1sqd h GLY 330 N 0.00 0.57 2.00 7.63 0.00 -1.52 0.47 103.07 112.23 1sqd h GLY 330 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.26 1sqd h GLY 330 CO 0.00 -0.14 0.00 1.29 0.00 0.00 0.00 176.54 177.69 1sqd h ASP 331 N 0.09 0.00 0.00 0.19 2.03 -1.89 -3.38 116.42 113.46 1sqd h ASP 331 Ca 0.73 0.00 -0.24 0.00 -0.73 0.00 0.00 57.03 56.79 1sqd h ASP 331 Cb 2.58 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 41.05 1sqd h ASP 331 CO -0.17 0.00 -1.30 0.58 -1.03 0.00 0.00 179.24 177.32 1sqd h VAL 332 N 0.00 0.89 -3.87 4.15 2.07 -0.47 -3.47 116.25 115.54 1sqd h VAL 332 Ca 0.00 -2.18 -0.63 0.00 0.82 0.00 0.00 66.70 64.71 1sqd h VAL 332 Cb 0.81 2.21 -0.32 0.00 -1.52 0.00 0.00 31.29 32.47 1sqd h VAL 332 CO 0.00 0.32 -0.86 -0.76 0.02 0.00 0.00 177.57 176.29 1sqd s LEU 333 N -7.85 1.99 1.21 2.57 1.43 -0.86 -5.13 118.68 112.04 1sqd s LEU 333 Ca -0.29 -0.44 -0.18 0.00 -1.03 0.00 0.00 54.13 52.19 1sqd s LEU 333 Cb 0.06 -1.18 0.29 0.00 0.03 0.00 0.00 46.19 45.39 1sqd s LEU 333 CO 0.59 0.19 1.07 -0.94 0.23 0.00 0.00 176.35 177.49 1sqd s SER 334 N 0.01 0.80 0.26 2.29 1.04 -1.26 -4.55 113.70 112.29 1sqd s SER 334 Ca -0.06 0.80 -0.01 0.00 0.48 0.00 0.00 55.95 57.16 1sqd s SER 334 Cb -0.13 -1.16 0.34 0.00 0.10 0.00 0.00 66.02 65.17 1sqd s SER 334 CO 0.04 -4.22 1.73 0.44 0.98 0.00 0.00 173.24 172.21 1sqd h ASP 335 N -2.64 0.67 0.35 7.02 3.32 -1.99 -1.39 116.42 121.77 1sqd h ASP 335 Ca -0.47 -0.19 -0.15 0.00 0.02 0.00 0.00 57.03 56.24 1sqd h ASP 335 Cb 1.31 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.67 1sqd h ASP 335 CO 0.38 0.81 -0.62 0.44 -1.72 0.00 0.00 179.24 178.53 1sqd h ASP 336 N 0.63 0.29 -0.02 6.45 3.45 -1.99 -1.13 116.42 124.10 1sqd h ASP 336 Ca 0.11 -0.17 -0.12 0.00 0.43 0.00 0.00 57.03 57.28 1sqd h ASP 336 Cb 0.55 -0.09 -0.01 0.00 -0.56 0.00 0.00 39.33 39.23 1sqd h ASP 336 CO 0.03 0.84 -0.37 1.56 -1.57 0.00 0.00 179.24 179.74 1sqd h GLN 337 N 0.19 0.52 -0.36 3.56 4.20 -1.87 -1.39 115.11 119.96 1sqd h GLN 337 Ca -0.01 -0.25 -0.15 0.00 0.06 0.00 0.00 58.65 58.31 1sqd h GLN 337 Cb 1.13 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.90 1sqd h GLN 337 CO 0.10 0.81 -0.36 0.82 -0.67 0.00 0.00 178.83 179.53 1sqd h ILE 338 N 0.43 1.28 -0.53 2.54 2.04 -1.12 -2.34 117.51 119.81 1sqd h ILE 338 Ca 0.04 -1.53 -0.06 0.00 1.00 0.00 0.00 64.86 64.31 1sqd h ILE 338 Cb 0.84 1.38 -0.02 0.00 -0.74 0.00 0.00 36.82 38.28 1sqd h ILE 338 CO 0.07 0.51 0.07 0.11 0.00 0.00 0.00 178.15 178.90 1sqd h LYS 339 N 0.70 0.85 -0.78 2.37 1.79 -0.98 -1.53 116.57 118.98 1sqd h LYS 339 Ca 0.06 -0.21 -0.01 0.00 -2.18 0.00 0.00 60.65 58.32 1sqd h LYS 339 Cb 0.93 -0.11 -0.04 0.00 -1.58 0.00 0.00 32.23 31.43 1sqd h LYS 339 CO 0.09 0.81 0.45 1.49 -1.08 0.00 0.00 179.45 181.21 1sqd h GLU 340 N 0.80 1.07 -0.61 3.15 4.81 -1.17 -0.28 114.58 122.36 1sqd h GLU 340 Ca 0.17 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1sqd h GLU 340 Cb 0.39 -0.22 -0.03 0.00 0.63 0.00 0.00 28.75 29.52 1sqd h GLU 340 CO 0.01 0.77 0.40 0.00 -0.73 0.00 0.00 179.01 179.46 1sqd h GLU 342 N 0.83 0.74 -0.14 0.00 4.81 -0.45 0.26 114.58 120.62 1sqd h GLU 342 Ca 0.22 -0.20 -0.06 0.00 -0.13 0.00 0.00 59.36 59.20 1sqd h GLU 342 Cb -0.08 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.20 1sqd h GLU 342 CO -0.05 0.76 -0.19 0.93 -0.73 0.00 0.00 179.01 179.73 1sqd h GLU 343 N 0.69 0.24 -0.01 1.92 5.08 -0.84 -3.13 114.58 118.52 1sqd h GLU 343 Ca 0.13 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1sqd h GLU 343 Cb 0.45 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1sqd h GLU 343 CO 0.02 0.43 -0.43 1.28 -1.00 0.00 0.00 179.01 179.31 1sqd n LEU 344 N -4.22 1.82 -0.51 1.33 4.77 -0.91 -4.98 117.00 114.30 1sqd n LEU 344 Ca -0.01 -0.75 -0.05 0.00 -0.03 0.00 0.00 56.01 55.16 1sqd n LEU 344 Cb 0.31 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.39 1sqd n LEU 344 CO 0.39 0.34 -0.06 0.61 -1.33 0.00 0.00 177.39 177.34 1sqd n GLY 345 N 1.30 0.49 3.76 -0.72 0.00 0.73 -5.00 105.19 105.75 1sqd n GLY 345 Ca 0.08 -0.74 -0.39 0.00 0.00 0.00 0.00 46.02 44.96 1sqd n GLY 345 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sqd s ILE 346 N -2.23 3.68 0.06 -0.61 1.01 -0.10 -4.72 121.20 118.29 1sqd s ILE 346 Ca 0.00 1.58 0.01 0.00 0.00 0.00 0.00 60.65 62.23 1sqd s ILE 346 Cb 0.00 -3.96 -0.04 0.00 0.01 0.00 0.00 42.46 38.47 1sqd s ILE 346 CO 0.00 0.29 0.17 -0.76 0.00 0.00 0.00 174.94 174.64 1sqd s LEU 347 N -1.72 4.22 -0.04 2.97 1.02 0.12 -4.70 118.68 120.55 1sqd s LEU 347 Ca 0.47 0.20 0.03 0.00 0.02 0.00 0.00 54.13 54.86 1sqd s LEU 347 Cb -0.28 -2.82 0.00 0.00 0.02 0.00 0.00 46.19 43.12 1sqd s LEU 347 CO 0.35 0.18 -0.13 -0.69 0.02 0.00 0.00 176.35 176.08 1sqd s VAL 348 N -1.47 1.11 0.11 -1.59 1.01 -1.26 -0.14 120.40 118.18 1sqd s VAL 348 Ca 0.33 -0.52 0.01 0.00 0.00 0.00 0.00 61.98 61.81 1sqd s VAL 348 Cb -0.13 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.22 1sqd s VAL 348 CO 0.26 0.34 -0.05 -0.62 0.00 0.00 0.00 175.10 175.03 1sqd s ASP 349 N 0.30 1.07 -0.16 3.32 3.68 0.45 -4.87 116.67 120.46 1sqd s ASP 349 Ca -0.07 -1.04 -0.08 0.00 2.13 0.00 0.00 52.55 53.49 1sqd s ASP 349 Cb -0.12 0.12 0.07 0.00 -1.45 0.00 0.00 42.92 41.53 1sqd s ASP 349 CO 0.02 -0.51 0.38 -0.60 0.13 0.00 0.00 175.17 174.59 1sqd s ARG 350 N -3.86 0.33 0.00 4.34 3.52 -1.26 0.99 118.95 123.00 1sqd s ARG 350 Ca 0.14 0.81 0.00 0.00 -0.13 0.00 0.00 55.73 56.55 1sqd s ARG 350 Cb 0.06 0.04 0.00 0.00 -1.56 0.00 0.00 34.95 33.49 1sqd s ARG 350 CO -0.03 -0.19 0.00 -0.40 -0.81 0.00 0.00 175.30 173.86 1sqd n ASP 351 N 4.63 0.66 -0.33 -2.12 5.68 -0.59 -5.01 116.55 119.48 1sqd n ASP 351 Ca -0.18 0.00 0.14 0.00 -0.50 0.00 0.00 54.79 54.24 1sqd n ASP 351 Cb 0.53 0.00 0.32 0.00 -1.14 0.00 0.00 41.12 40.83 1sqd n ASP 351 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1sqd h ASP 352 N 0.00 0.60 0.00 -1.12 3.32 -2.01 -3.33 116.42 113.87 1sqd h ASP 352 Ca 0.00 0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 1sqd h ASP 352 Cb 0.00 0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.58 1sqd h ASP 352 CO 0.00 0.14 -1.21 0.00 -1.72 0.00 0.00 179.24 176.46 1sqd n GLN 353 N -4.89 0.74 -2.55 3.56 6.02 -1.26 -5.10 117.38 113.90 1sqd n GLN 353 Ca 0.23 -0.03 -0.05 0.00 -0.01 0.00 0.00 57.00 57.14 1sqd n GLN 353 Cb 0.63 -1.10 0.01 0.00 1.02 0.00 0.00 30.24 30.80 1sqd n GLN 353 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1sqd n GLY 354 N 2.36 1.50 3.11 1.08 0.00 -1.25 -3.88 105.19 108.10 1sqd n GLY 354 Ca -0.02 -1.17 -0.22 0.00 0.00 0.00 0.00 46.02 44.62 1sqd n GLY 354 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sqd s THR 355 N -2.51 1.09 -0.13 2.61 2.01 -0.03 -1.54 115.64 117.15 1sqd s THR 355 Ca 0.09 -0.69 0.03 0.00 0.31 0.00 0.00 61.69 61.43 1sqd s THR 355 Cb -0.03 -0.93 0.01 0.00 0.01 0.00 0.00 72.50 71.56 1sqd s THR 355 CO 0.07 0.23 -0.22 -0.22 -0.69 0.00 0.00 174.62 173.78 1sqd s LEU 356 N -0.53 2.09 -0.19 4.42 2.96 0.28 -1.26 118.68 126.45 1sqd s LEU 356 Ca 0.04 -0.59 -0.08 0.00 -0.22 0.00 0.00 54.13 53.28 1sqd s LEU 356 Cb -0.06 -1.42 -0.04 0.00 0.50 0.00 0.00 46.19 45.16 1sqd s LEU 356 CO -0.00 0.10 0.09 -0.76 -1.32 0.00 0.00 176.35 174.46 1sqd s LEU 357 N 0.67 3.97 0.09 -0.68 1.43 -0.53 -0.41 118.68 123.22 1sqd s LEU 357 Ca -0.11 0.14 -0.16 0.00 -1.03 0.00 0.00 54.13 52.98 1sqd s LEU 357 Cb -0.16 -2.01 0.03 0.00 0.03 0.00 0.00 46.19 44.08 1sqd s LEU 357 CO 0.01 0.18 0.37 0.00 0.23 0.00 0.00 176.35 177.14 1sqd s GLN 358 N 0.35 0.98 -0.04 1.70 -2.07 0.80 -1.64 119.66 119.74 1sqd s GLN 358 Ca 0.05 -0.62 -0.29 0.00 -1.82 0.00 0.00 55.36 52.68 1sqd s GLN 358 Cb -0.12 0.43 0.06 0.00 -1.09 0.00 0.00 33.01 32.29 1sqd s GLN 358 CO -0.01 -0.36 0.63 -1.50 -1.32 0.00 0.00 175.29 172.74 1sqd s ILE 359 N -3.32 0.01 -0.06 3.63 2.07 -0.83 0.14 121.20 122.84 1sqd s ILE 359 Ca 0.00 -0.06 0.04 0.00 -1.41 0.00 0.00 60.65 59.22 1sqd s ILE 359 Cb 0.01 -0.96 -0.02 0.00 0.13 0.00 0.00 42.46 41.62 1sqd s ILE 359 CO -0.08 -0.03 -0.18 -0.36 -1.91 0.00 0.00 174.94 172.37 1sqd s PHE 360 N -1.34 2.62 0.69 3.50 0.40 -1.26 -1.32 117.98 121.27 1sqd s PHE 360 Ca -0.11 -0.42 -0.11 0.00 -0.60 0.00 0.00 56.93 55.69 1sqd s PHE 360 Cb -0.01 -1.65 0.00 0.00 0.51 0.00 0.00 43.02 41.88 1sqd s PHE 360 CO 0.08 -0.02 1.07 0.95 0.70 0.00 0.00 175.22 178.01 1sqd s THR 361 N -0.37 3.84 0.98 0.64 -4.23 -0.06 -1.74 115.64 114.71 1sqd s THR 361 Ca 0.03 0.60 -0.12 0.00 -1.18 0.00 0.00 61.69 61.02 1sqd s THR 361 Cb -0.12 -3.54 0.18 0.00 1.34 0.00 0.00 72.50 70.36 1sqd s THR 361 CO 0.02 -0.78 1.10 -0.54 -0.54 0.00 0.00 174.62 173.88 1sqd s LYS 362 N -5.25 0.57 0.34 3.99 1.02 0.02 -4.47 119.74 115.96 1sqd s LYS 362 Ca 0.58 0.52 -0.25 0.00 0.02 0.00 0.00 55.97 56.83 1sqd s LYS 362 Cb -0.12 -1.75 -0.14 0.00 -0.52 0.00 0.00 37.83 35.30 1sqd s LYS 362 CO 0.53 -2.64 0.70 -2.30 -0.92 0.00 0.00 175.35 170.72 1sqd n PRO 363 N -4.11 0.73 0.21 -1.68 -0.02 -1.26 -4.53 135.00 124.34 1sqd n PRO 363 Ca 0.05 0.26 0.10 0.00 -2.02 0.00 0.00 63.50 61.90 1sqd n PRO 363 Cb 0.57 -1.54 0.26 0.00 -0.02 0.00 0.00 33.50 32.77 1sqd n PRO 363 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1sqd h LEU 364 N 1.22 0.00 0.00 2.45 3.38 -1.47 -3.47 115.31 117.42 1sqd h LEU 364 Ca -0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1sqd h LEU 364 Cb 1.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.14 1sqd h LEU 364 CO 0.55 0.14 0.00 0.61 0.09 0.00 0.00 178.44 179.83 1sqd n GLY 365 N 0.84 5.39 0.28 0.83 0.00 -1.26 -5.06 105.19 106.21 1sqd n GLY 365 Ca 0.03 -1.36 -0.04 0.00 0.00 0.00 0.00 46.02 44.64 1sqd n GLY 365 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1sqd h ASP 366 N 0.00 0.81 -3.45 1.61 3.32 -1.95 -3.44 116.42 113.32 1sqd h ASP 366 Ca 0.00 -0.02 -0.52 0.00 0.02 0.00 0.00 57.03 56.51 1sqd h ASP 366 Cb 0.00 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.34 1sqd h ASP 366 CO 0.00 0.58 -0.06 -0.13 -1.72 0.00 0.00 179.24 177.92 1sqd s ARG 367 N -6.13 3.77 -1.34 3.56 0.52 -1.26 -4.97 118.95 113.11 1sqd s ARG 367 Ca -0.13 0.28 -0.13 0.00 -0.52 0.00 0.00 55.73 55.23 1sqd s ARG 367 Cb 0.15 -2.57 -0.04 0.00 0.52 0.00 0.00 34.95 33.00 1sqd s ARG 367 CO 0.77 0.21 2.39 -0.35 0.02 0.00 0.00 175.30 178.34 1sqd n PRO 368 N -0.59 2.81 0.00 3.54 -0.04 -1.26 -4.52 135.00 134.94 1sqd n PRO 368 Ca 0.01 -2.21 0.00 0.00 -0.04 0.00 0.00 63.50 61.25 1sqd n PRO 368 Cb 0.53 -2.97 0.00 0.00 -0.04 0.00 0.00 33.50 31.02 1sqd n PRO 368 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1sqd n THR 369 N 4.66 0.00 -2.54 0.52 -2.24 -1.26 -4.46 114.28 108.96 1sqd n THR 369 Ca 0.59 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.97 1sqd n THR 369 Cb 0.31 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.49 1sqd n THR 369 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 1sqd s ILE 370 N 0.82 3.62 0.24 2.28 2.07 -1.26 -4.89 121.20 124.08 1sqd s ILE 370 Ca 0.00 1.62 0.01 0.00 -1.41 0.00 0.00 60.65 60.86 1sqd s ILE 370 Cb 0.00 -4.02 -0.04 0.00 0.13 0.00 0.00 42.46 38.53 1sqd s ILE 370 CO 0.00 0.37 0.15 0.72 -1.91 0.00 0.00 174.94 174.27 1sqd s PHE 371 N -1.18 1.35 0.08 3.50 -0.12 -0.40 -1.26 117.98 119.94 1sqd s PHE 371 Ca 0.44 -1.39 0.07 0.00 -0.05 0.00 0.00 56.93 56.00 1sqd s PHE 371 Cb -0.30 -0.67 -0.04 0.00 -0.63 0.00 0.00 43.02 41.38 1sqd s PHE 371 CO 0.39 -0.61 -0.14 0.42 -0.05 0.00 0.00 175.22 175.22 1sqd s ILE 372 N -3.94 3.09 -0.07 -4.49 1.01 -1.26 -2.47 121.20 113.07 1sqd s ILE 372 Ca 0.39 -1.26 0.05 0.00 0.00 0.00 0.00 60.65 59.82 1sqd s ILE 372 Cb 0.06 -2.39 -0.02 0.00 0.01 0.00 0.00 42.46 40.13 1sqd s ILE 372 CO 0.15 0.20 -0.21 -0.70 0.00 0.00 0.00 174.94 174.38 1sqd s GLU 373 N -1.89 2.65 -0.15 2.79 2.12 0.59 -0.88 118.70 123.93 1sqd s GLU 373 Ca 0.18 -0.82 -0.05 0.00 0.36 0.00 0.00 54.97 54.64 1sqd s GLU 373 Cb -0.11 -2.28 -0.03 0.00 0.26 0.00 0.00 34.13 31.97 1sqd s GLU 373 CO 0.10 0.42 0.01 0.42 -0.54 0.00 0.00 175.26 175.67 1sqd s ILE 374 N -0.23 4.33 0.05 -3.70 -1.09 -0.43 -0.01 121.20 120.11 1sqd s ILE 374 Ca -0.01 -0.21 -0.02 0.00 -2.23 0.00 0.00 60.65 58.19 1sqd s ILE 374 Cb -0.13 -2.91 -0.03 0.00 -1.58 0.00 0.00 42.46 37.81 1sqd s ILE 374 CO 0.03 0.50 0.00 0.27 -1.23 0.00 0.00 174.94 174.52 1sqd s ILE 375 N 0.11 0.19 -0.09 2.92 -4.36 -0.43 -1.97 121.20 117.57 1sqd s ILE 375 Ca 0.02 -1.55 -0.09 0.00 -0.26 0.00 0.00 60.65 58.77 1sqd s ILE 375 Cb -0.13 -1.26 0.02 0.00 1.25 0.00 0.00 42.46 42.34 1sqd s ILE 375 CO 0.02 -0.85 0.25 -1.58 0.24 0.00 0.00 174.94 173.01 1sqd s GLN 376 N -3.43 0.32 -0.07 0.37 0.74 -0.65 -0.34 119.66 116.60 1sqd s GLN 376 Ca 0.02 0.29 0.03 0.00 0.05 0.00 0.00 55.36 55.75 1sqd s GLN 376 Cb 0.04 0.15 -0.02 0.00 1.10 0.00 0.00 33.01 34.29 1sqd s GLN 376 CO -0.08 -0.05 -0.16 1.03 -0.55 0.00 0.00 175.29 175.49 1sqd s ARG 377 N -0.02 2.72 -0.18 1.67 0.52 -1.26 -1.46 118.95 120.94 1sqd s ARG 377 Ca -0.01 -0.72 -0.01 0.00 -0.52 0.00 0.00 55.73 54.47 1sqd s ARG 377 Cb -0.02 -2.41 0.01 0.00 0.52 0.00 0.00 34.95 33.04 1sqd s ARG 377 CO 0.01 0.49 -0.14 0.08 0.02 0.00 0.00 175.30 175.75 1sqd s VAL 378 N -0.38 2.61 -1.86 3.52 1.01 -0.39 -4.99 120.40 119.91 1sqd s VAL 378 Ca 0.04 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.26 1sqd s VAL 378 Cb -0.12 -2.13 0.00 0.00 0.00 0.00 0.00 36.38 34.13 1sqd s VAL 378 CO 0.02 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.23 1sqd n GLY 379 N 4.49 0.70 4.31 4.51 0.00 -1.26 -0.85 105.19 117.10 1sqd n GLY 379 Ca -0.20 -2.13 -0.34 0.00 0.00 0.00 0.00 46.02 43.35 1sqd n GLY 379 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sqd s MET 381 N -7.16 4.25 0.05 0.00 -1.94 -1.26 -1.18 119.30 112.06 1sqd s MET 381 Ca 0.34 0.85 0.00 0.00 -1.71 0.00 0.00 55.69 55.16 1sqd s MET 381 Cb -0.19 -2.95 0.00 0.00 2.01 0.00 0.00 34.83 33.70 1sqd s MET 381 CO 0.98 0.44 0.00 -1.33 -0.01 0.00 0.00 175.02 175.10 1sqd n MET 382 N 0.88 0.00 -1.10 2.03 2.81 -1.26 -4.96 117.12 115.52 1sqd n MET 382 Ca -0.03 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.86 1sqd n MET 382 Cb 0.51 -0.02 0.00 0.00 -0.71 0.00 0.00 33.22 33.00 1sqd n MET 382 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1sqd n TYR 390 N -2.69 -0.70 -4.13 2.03 4.02 -1.26 -5.08 117.16 109.35 1sqd n TYR 390 Ca 0.00 0.38 -0.35 0.00 -0.01 0.00 0.00 57.90 57.92 1sqd n TYR 390 Cb 0.01 -0.66 -0.09 0.00 -0.02 0.00 0.00 39.34 38.58 1sqd n TYR 390 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 176.86 174.71 1sqd s GLN 391 N -4.00 3.44 0.16 -0.72 0.74 -1.26 -5.06 119.66 112.95 1sqd s GLN 391 Ca 0.00 -0.32 -0.33 0.00 0.05 0.00 0.00 55.36 54.76 1sqd s GLN 391 Cb 0.00 -3.03 -0.12 0.00 1.10 0.00 0.00 33.01 30.96 1sqd s GLN 391 CO 0.00 0.57 1.71 0.43 -0.55 0.00 0.00 175.29 177.46 1sqd n SER 392 N 2.58 3.69 -4.58 6.67 7.64 -0.32 -4.91 113.62 124.39 1sqd n SER 392 Ca -0.18 1.05 -0.46 0.00 1.01 0.00 0.00 58.87 60.28 1sqd n SER 392 Cb 0.53 -1.51 -0.02 0.00 -1.01 0.00 0.00 64.21 62.20 1sqd n SER 392 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1sqd n GLY 393 N 3.88 -0.22 2.28 0.23 0.00 -1.26 -2.69 105.19 107.40 1sqd n GLY 393 Ca 0.17 0.39 -0.11 0.00 0.00 0.00 0.00 46.02 46.47 1sqd n GLY 393 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sqd n GLY 394 N 1.50 0.71 3.64 -0.02 0.00 -1.26 -4.95 105.19 104.80 1sqd n GLY 394 Ca 0.11 -0.48 -0.43 0.00 0.00 0.00 0.00 46.02 45.22 1sqd n GLY 394 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sqd n GLY 396 N 4.99 0.29 5.32 0.00 0.00 -1.26 -4.47 105.19 110.06 1sqd n GLY 396 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1sqd n GLY 396 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sqd n GLY 397 N -1.67 -0.53 0.00 -0.02 0.00 -0.82 -4.13 105.19 98.03 1sqd n GLY 397 Ca 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.70 1sqd n GLY 397 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1sqd n PHE 398 N 0.00 0.00 -0.15 1.61 3.01 -1.26 -4.96 117.46 115.71 1sqd n PHE 398 Ca 0.00 -0.18 0.00 0.00 1.01 0.00 0.00 57.45 58.28 1sqd n PHE 398 Cb 0.00 -0.02 0.00 0.00 -0.01 0.00 0.00 39.48 39.45 1sqd n PHE 398 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1sqd n GLY 399 N -0.18 0.92 0.10 1.37 0.00 -1.26 -4.97 105.19 101.15 1sqd n GLY 399 Ca 0.00 -0.08 0.09 0.00 0.00 0.00 0.00 46.02 46.02 1sqd n GLY 399 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1sqd n LYS 400 N -2.15 0.11 0.19 1.61 5.02 -1.26 0.26 118.16 121.94 1sqd n LYS 400 Ca 0.00 0.47 0.08 0.00 -2.02 0.00 0.00 58.31 56.84 1sqd n LYS 400 Cb 0.00 -1.77 0.17 0.00 -0.02 0.00 0.00 35.03 33.41 1sqd n LYS 400 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1sqd h GLY 401 N 1.26 0.00 2.00 0.72 0.00 -1.96 -3.24 103.07 101.85 1sqd h GLY 401 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1sqd h GLY 401 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.24 1sqd n ASN 402 N -3.19 0.67 0.00 0.19 3.02 0.14 -2.46 115.26 113.62 1sqd n ASN 402 Ca 0.02 0.65 0.00 0.00 -0.03 0.00 0.00 54.58 55.22 1sqd n ASN 402 Cb 0.59 -0.80 0.00 0.00 -0.61 0.00 0.00 39.78 38.97 1sqd n ASN 402 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1sqd n PHE 403 N -2.22 0.00 -0.34 3.10 3.72 -1.22 -1.51 117.46 118.99 1sqd n PHE 403 Ca 0.03 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.58 1sqd n PHE 403 Cb 0.25 0.00 0.35 0.00 -0.94 0.00 0.00 39.48 39.15 1sqd n PHE 403 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1sqd h SER 404 N 0.00 0.69 -0.24 4.37 4.64 -1.78 -1.95 113.55 119.27 1sqd h SER 404 Ca 0.00 0.12 -0.10 0.00 -0.47 0.00 0.00 61.79 61.34 1sqd h SER 404 Cb 0.00 0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.08 1sqd h SER 404 CO 0.00 0.17 -0.20 -0.33 -0.87 0.00 0.00 176.83 175.59 1sqd h GLU 405 N 0.64 0.70 -0.07 4.77 4.39 -1.56 -0.61 114.58 122.84 1sqd h GLU 405 Ca 0.61 -0.26 -0.01 0.00 0.34 0.00 0.00 59.36 60.04 1sqd h GLU 405 Cb 1.07 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.68 1sqd h GLU 405 CO -0.44 0.85 0.02 1.25 -1.16 0.00 0.00 179.01 179.52 1sqd h LEU 406 N 0.61 0.10 0.00 1.33 5.85 -0.46 -2.74 115.31 120.00 1sqd h LEU 406 Ca 0.09 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.60 1sqd h LEU 406 Cb 0.68 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.68 1sqd h LEU 406 CO 0.05 0.28 0.00 0.49 -0.34 0.00 0.00 178.44 178.92 1sqd n PHE 407 N -4.92 0.00 0.11 1.25 3.01 -1.07 -1.60 117.46 114.24 1sqd n PHE 407 Ca -0.06 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.22 1sqd n PHE 407 Cb 0.13 -0.41 -0.13 0.00 -0.01 0.00 0.00 39.48 39.06 1sqd n PHE 407 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 1sqd h LYS 408 N 0.00 0.33 -0.12 -1.08 1.57 -1.04 -3.31 116.57 112.92 1sqd h LYS 408 Ca 0.00 -0.55 -0.17 0.00 -1.87 0.00 0.00 60.65 58.06 1sqd h LYS 408 Cb 0.32 0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 1sqd h LYS 408 CO 0.00 1.25 -0.65 0.66 -0.57 0.00 0.00 179.45 180.14 1sqd h SER 409 N 0.10 0.54 -0.03 0.86 4.64 -0.98 -3.50 113.55 115.18 1sqd h SER 409 Ca -0.15 -0.32 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1sqd h SER 409 Cb 1.97 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.91 1sqd h SER 409 CO 0.21 1.04 0.00 2.30 -0.87 0.00 0.00 176.83 179.52