#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n1e n ASP 10 N 0.00 2.61 -4.83 4.39 10.43 -1.26 -4.92 116.55 122.96 1n1e n ASP 10 Ca 0.00 -2.07 -0.37 0.00 2.57 0.00 0.00 54.79 54.92 1n1e n ASP 10 Cb 0.00 -0.34 -0.06 0.00 1.84 0.00 0.00 41.12 42.56 1n1e n ASP 10 CO 0.00 0.00 0.00 -0.70 -1.07 0.00 0.00 177.20 175.43 1n1e s GLU 11 N -1.48 3.77 0.49 -1.24 2.56 -1.26 -5.06 118.70 116.48 1n1e s GLU 11 Ca 0.31 0.09 -0.19 0.00 0.00 0.00 0.00 54.97 55.17 1n1e s GLU 11 Cb 0.17 -3.25 -0.08 0.00 2.00 0.00 0.00 34.13 32.97 1n1e s GLU 11 CO 0.19 0.64 1.00 -0.51 -0.56 0.00 0.00 175.26 176.02 1n1e s LEU 12 N -0.73 3.77 0.07 2.70 1.43 -1.26 -4.88 118.68 119.78 1n1e s LEU 12 Ca 0.18 1.76 0.04 0.00 -1.03 0.00 0.00 54.13 55.08 1n1e s LEU 12 Cb -0.14 -4.54 -0.04 0.00 0.03 0.00 0.00 46.19 41.51 1n1e s LEU 12 CO 0.07 -0.67 0.01 -0.76 0.23 0.00 0.00 176.35 175.22 1n1e s LEU 13 N -3.68 3.50 0.09 1.79 1.43 -0.35 -5.00 118.68 116.46 1n1e s LEU 13 Ca 0.63 -0.12 0.07 0.00 -1.03 0.00 0.00 54.13 53.68 1n1e s LEU 13 Cb -0.13 -2.18 -0.03 0.00 0.03 0.00 0.00 46.19 43.88 1n1e s LEU 13 CO 0.23 0.20 -0.18 -0.31 0.23 0.00 0.00 176.35 176.52 1n1e s TYR 14 N -1.26 1.56 0.29 0.29 1.51 -1.26 -4.37 117.35 114.10 1n1e s TYR 14 Ca 0.25 -0.43 0.10 0.00 -1.01 0.00 0.00 57.07 55.97 1n1e s TYR 14 Cb -0.12 -0.87 -0.06 0.00 -0.11 0.00 0.00 41.96 40.81 1n1e s TYR 14 CO 0.17 0.14 -0.13 -0.51 -1.11 0.00 0.00 175.55 174.10 1n1e s LEU 15 N -1.80 2.61 -0.01 -1.29 1.43 -0.68 -5.02 118.68 113.92 1n1e s LEU 15 Ca 0.03 -1.11 -0.22 0.00 -1.03 0.00 0.00 54.13 51.80 1n1e s LEU 15 Cb -0.10 -0.92 -0.21 0.00 0.03 0.00 0.00 46.19 44.99 1n1e s LEU 15 CO 0.03 -0.14 1.14 0.78 0.23 0.00 0.00 176.35 178.40 1n1e h ASN 16 N 2.24 0.36 -4.15 2.29 2.35 -1.93 -2.17 115.58 114.57 1n1e h ASN 16 Ca -0.40 -0.68 -0.16 0.00 -0.55 0.00 0.00 56.30 54.51 1n1e h ASN 16 Cb 1.25 -0.11 -0.24 0.00 0.05 0.00 0.00 38.32 39.27 1n1e h ASN 16 CO 0.65 0.99 -0.42 -0.75 -1.65 0.00 0.00 177.43 176.24 1n1e s LYS 17 N -3.50 0.36 0.10 0.81 2.20 -1.26 -1.83 119.74 116.63 1n1e s LYS 17 Ca -0.15 0.15 0.07 0.00 -0.36 0.00 0.00 55.97 55.69 1n1e s LYS 17 Cb 0.03 0.17 -0.03 0.00 -1.51 0.00 0.00 37.83 36.48 1n1e s LYS 17 CO 0.77 -0.06 -0.19 0.00 -0.36 0.00 0.00 175.35 175.50 1n1e s ALA 18 N -0.29 1.67 -0.04 3.13 0.00 -0.83 -1.15 121.76 124.25 1n1e s ALA 18 Ca -0.04 -1.21 0.06 0.00 0.00 0.00 0.00 51.96 50.77 1n1e s ALA 18 Cb -0.03 -0.20 -0.01 0.00 0.00 0.00 0.00 23.12 22.88 1n1e s ALA 18 CO 0.01 0.30 -0.23 0.54 0.00 0.00 0.00 175.76 176.37 1n1e s VAL 19 N -1.30 1.89 -0.26 0.00 0.11 -0.79 -1.46 120.40 118.60 1n1e s VAL 19 Ca 0.05 -1.00 0.02 0.00 -2.93 0.00 0.00 61.98 58.13 1n1e s VAL 19 Cb -0.09 -1.59 0.05 0.00 -1.53 0.00 0.00 36.38 33.22 1n1e s VAL 19 CO 0.04 0.53 -0.10 -0.69 -3.33 0.00 0.00 175.10 171.55 1n1e s VAL 20 N -0.32 2.31 -0.71 2.04 1.01 0.32 -1.32 120.40 123.73 1n1e s VAL 20 Ca 0.02 -1.53 -0.23 0.00 0.00 0.00 0.00 61.98 60.25 1n1e s VAL 20 Cb -0.11 -2.32 0.07 0.00 0.00 0.00 0.00 36.38 34.02 1n1e s VAL 20 CO 0.01 0.01 1.03 -0.36 0.00 0.00 0.00 175.10 175.80 1n1e s PHE 21 N 1.15 2.68 0.00 5.22 0.40 0.05 -1.11 117.98 126.36 1n1e s PHE 21 Ca -0.07 -0.61 0.00 0.00 -0.60 0.00 0.00 56.93 55.65 1n1e s PHE 21 Cb -0.19 -4.34 0.00 0.00 0.51 0.00 0.00 43.02 39.00 1n1e s PHE 21 CO -0.05 -1.69 0.00 0.41 0.70 0.00 0.00 175.22 174.59 1n1e n GLY 22 N 5.41 1.51 1.18 4.36 0.00 -1.21 -0.53 105.19 115.91 1n1e n GLY 22 Ca 0.01 0.22 0.11 0.00 0.00 0.00 0.00 46.02 46.37 1n1e n GLY 22 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1n1e n SER 23 N 0.00 3.63 -2.16 1.61 3.41 -1.24 -3.88 113.62 114.99 1n1e n SER 23 Ca 0.00 -1.98 0.00 0.00 -0.26 0.00 0.00 58.87 56.63 1n1e n SER 23 Cb 0.00 -0.37 0.00 0.00 -0.26 0.00 0.00 64.21 63.58 1n1e n SER 23 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1n1e n GLY 24 N 1.44 -1.44 0.19 5.00 0.00 -1.26 -4.67 105.19 104.44 1n1e n GLY 24 Ca 0.21 -1.61 -0.03 0.00 0.00 0.00 0.00 46.02 44.58 1n1e n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n1e h ALA 25 N -2.00 0.53 0.16 4.61 0.00 -1.93 -1.16 119.26 119.47 1n1e h ALA 25 Ca 0.00 0.08 -0.29 0.00 0.00 0.00 0.00 54.91 54.70 1n1e h ALA 25 Cb 0.00 0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.90 1n1e h ALA 25 CO 0.00 -0.29 -1.32 0.35 0.00 0.00 0.00 179.25 178.00 1n1e h PHE 26 N 0.26 0.62 -0.85 0.00 -0.00 -1.92 -1.07 116.94 113.98 1n1e h PHE 26 Ca 0.23 -0.45 -0.02 0.00 -0.00 0.00 0.00 57.97 57.73 1n1e h PHE 26 Cb 0.28 -0.02 -0.04 0.00 -0.00 0.00 0.00 35.95 36.16 1n1e h PHE 26 CO -0.20 1.36 0.45 0.78 -0.00 0.00 0.00 178.31 180.70 1n1e h GLY 27 N 1.23 1.28 0.99 2.40 0.00 -1.68 -0.42 103.07 106.86 1n1e h GLY 27 Ca -0.17 -0.60 -0.07 0.00 0.00 0.00 0.00 47.33 46.49 1n1e h GLY 27 CO 0.22 0.57 0.00 -0.84 0.00 0.00 0.00 176.54 176.49 1n1e h THR 28 N 1.19 1.26 -0.71 4.70 2.02 -1.13 -1.03 112.91 119.22 1n1e h THR 28 Ca 0.30 -1.05 -0.01 0.00 0.77 0.00 0.00 66.41 66.42 1n1e h THR 28 Cb 0.05 1.03 -0.03 0.00 -1.74 0.00 0.00 68.15 67.46 1n1e h THR 28 CO -0.05 0.36 0.41 0.00 0.37 0.00 0.00 175.52 176.62 1n1e h ALA 29 N 0.92 0.90 -0.01 6.16 0.00 -0.78 -1.13 119.26 125.32 1n1e h ALA 29 Ca 0.13 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 1n1e h ALA 29 Cb 0.50 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1n1e h ALA 29 CO 0.02 0.40 -0.55 -0.07 0.00 0.00 0.00 179.25 179.05 1n1e h LEU 30 N 0.97 0.02 -1.11 0.00 3.38 -0.99 -1.89 115.31 115.69 1n1e h LEU 30 Ca 0.25 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.19 1n1e h LEU 30 Cb 0.00 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1n1e h LEU 30 CO -0.04 0.57 0.34 0.00 0.09 0.00 0.00 178.44 179.39 1n1e h ALA 31 N 1.43 1.31 -0.61 1.53 0.00 -0.62 -0.53 119.26 121.78 1n1e h ALA 31 Ca -0.00 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 1n1e h ALA 31 Cb 0.98 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1n1e h ALA 31 CO 0.07 0.54 0.05 0.52 0.00 0.00 0.00 179.25 180.43 1n1e h MET 32 N 0.96 1.04 0.04 0.00 2.86 -0.57 0.19 114.93 119.45 1n1e h MET 32 Ca 0.24 -0.29 -0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1n1e h MET 32 Cb 0.08 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.63 1n1e h MET 32 CO -0.03 0.98 -0.02 0.28 1.06 0.00 0.00 176.91 179.18 1n1e h VAL 33 N 0.96 1.06 0.00 -2.22 2.07 -1.09 -3.01 116.25 114.03 1n1e h VAL 33 Ca 0.18 -0.34 -0.03 0.00 0.82 0.00 0.00 66.70 67.33 1n1e h VAL 33 Cb 0.49 1.29 -0.00 0.00 -1.52 0.00 0.00 31.29 31.54 1n1e h VAL 33 CO 0.02 0.09 -0.15 -0.07 0.02 0.00 0.00 177.57 177.48 1n1e h LEU 34 N -0.20 0.00 -2.34 2.57 3.38 -0.84 -2.15 115.31 115.73 1n1e h LEU 34 Ca -0.01 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.97 1n1e h LEU 34 Cb 0.18 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 1n1e h LEU 34 CO 0.01 0.15 0.04 0.77 0.09 0.00 0.00 178.44 179.49 1n1e h SER 35 N 0.00 0.00 1.86 -0.43 4.64 -0.48 0.11 113.55 119.25 1n1e h SER 35 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1n1e h SER 35 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1n1e h SER 35 CO 0.02 0.00 0.00 0.11 -0.87 0.00 0.00 176.83 176.09 1n1e h LYS 36 N 0.00 0.00 0.00 4.77 1.57 -1.46 -3.35 116.57 118.10 1n1e h LYS 36 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1n1e h LYS 36 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1n1e h LYS 36 CO -0.00 0.00 -1.12 1.63 -0.57 0.00 0.00 179.45 179.39 1n1e n LYS 37 N -2.91 1.54 -4.30 3.15 4.76 0.19 -5.02 118.16 115.57 1n1e n LYS 37 Ca 0.04 -0.06 -0.21 0.00 -2.87 0.00 0.00 58.31 55.21 1n1e n LYS 37 Cb 0.50 -1.17 -0.13 0.00 -1.84 0.00 0.00 35.03 32.40 1n1e n LYS 37 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1n1e h ARG 39 N 4.42 0.78 -3.65 0.00 2.43 -1.06 -3.44 114.38 113.86 1n1e h ARG 39 Ca -0.42 -0.22 -0.23 0.00 -0.81 0.00 0.00 59.98 58.29 1n1e h ARG 39 Cb 1.18 -0.08 -0.29 0.00 -0.42 0.00 0.00 29.97 30.36 1n1e h ARG 39 CO 0.41 0.81 -0.70 -2.00 -1.51 0.00 0.00 179.97 176.98 1n1e s GLU 40 N -4.93 0.02 -0.08 0.20 2.12 -0.76 -4.80 118.70 110.48 1n1e s GLU 40 Ca -0.09 0.05 0.01 0.00 0.36 0.00 0.00 54.97 55.31 1n1e s GLU 40 Cb 0.14 -0.02 0.02 0.00 0.26 0.00 0.00 34.13 34.53 1n1e s GLU 40 CO 0.81 -0.02 -0.10 0.08 -0.54 0.00 0.00 175.26 175.49 1n1e s VAL 41 N 0.15 1.06 -0.12 3.70 1.01 0.16 -1.96 120.40 124.39 1n1e s VAL 41 Ca -0.01 -0.40 -0.03 0.00 0.00 0.00 0.00 61.98 61.55 1n1e s VAL 41 Cb -0.02 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.33 1n1e s VAL 41 CO -0.00 0.35 -0.03 0.00 0.00 0.00 0.00 175.10 175.42 1n1e s VAL 43 N -0.17 2.50 -0.11 0.00 1.01 -0.53 -0.52 120.40 122.59 1n1e s VAL 43 Ca 0.04 -0.81 -0.19 0.00 0.00 0.00 0.00 61.98 61.01 1n1e s VAL 43 Cb -0.13 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 34.15 1n1e s VAL 43 CO 0.02 0.52 0.53 0.86 0.00 0.00 0.00 175.10 177.03 1n1e s TRP 44 N 0.99 3.52 0.04 5.22 -0.00 -0.27 -1.59 118.94 126.86 1n1e s TRP 44 Ca -0.02 0.97 0.05 0.00 -0.00 0.00 0.00 56.10 57.10 1n1e s TRP 44 Cb -0.15 -2.62 -0.02 0.00 -0.00 0.00 0.00 33.47 30.68 1n1e s TRP 44 CO -0.04 0.13 -0.15 -1.58 -0.00 0.00 0.00 176.95 175.32 1n1e s HIS 45 N 0.72 1.32 -0.09 5.86 5.65 -0.40 -3.33 115.29 125.03 1n1e s HIS 45 Ca 0.29 -0.36 0.30 0.00 0.25 0.00 0.00 55.06 55.54 1n1e s HIS 45 Cb -0.16 -0.78 1.04 0.00 -1.18 0.00 0.00 32.58 31.50 1n1e s HIS 45 CO 0.12 0.05 1.86 0.00 -0.65 0.00 0.00 174.74 176.12 1n1e h MET 46 N 4.89 0.00 -4.99 2.88 -0.00 -1.90 -3.32 114.93 112.49 1n1e h MET 46 Ca -0.39 0.00 -0.67 0.00 -0.00 0.00 0.00 59.70 58.64 1n1e h MET 46 Cb 1.18 0.00 -0.32 0.00 -0.00 0.00 0.00 31.60 32.46 1n1e h MET 46 CO 0.44 0.00 -0.78 1.21 -0.00 0.00 0.00 176.91 177.77 1n1e s ASN 47 N -5.81 3.88 0.19 -0.10 3.84 -1.26 -4.97 114.94 110.71 1n1e s ASN 47 Ca 0.03 -0.67 -0.08 0.00 0.21 0.00 0.00 52.86 52.36 1n1e s ASN 47 Cb 0.08 -1.61 0.11 0.00 -0.55 0.00 0.00 41.25 39.28 1n1e s ASN 47 CO 0.58 -0.05 1.64 -0.08 -2.79 0.00 0.00 177.10 176.40 1n1e h GLU 48 N 8.01 0.98 -0.83 0.43 4.57 -1.94 -1.18 114.58 124.62 1n1e h GLU 48 Ca -0.40 -0.34 -0.04 0.00 -1.18 0.00 0.00 59.36 57.41 1n1e h GLU 48 Cb 1.13 -0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 29.61 1n1e h GLU 48 CO 0.60 1.01 0.38 1.49 -1.18 0.00 0.00 179.01 181.31 1n1e h GLU 49 N 0.89 1.21 -0.29 1.92 4.81 -1.99 -1.51 114.58 119.62 1n1e h GLU 49 Ca 0.15 -0.19 -0.15 0.00 -0.13 0.00 0.00 59.36 59.04 1n1e h GLU 49 Cb 0.61 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 1n1e h GLU 49 CO 0.04 0.95 -0.42 0.93 -0.73 0.00 0.00 179.01 179.78 1n1e h GLU 50 N 1.19 0.71 -0.35 1.92 5.08 -1.92 -2.23 114.58 118.98 1n1e h GLU 50 Ca 0.28 -0.38 0.04 0.00 -1.00 0.00 0.00 59.36 58.31 1n1e h GLU 50 Cb 0.15 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.38 1n1e h GLU 50 CO -0.03 0.99 0.11 0.28 -1.00 0.00 0.00 179.01 179.36 1n1e h VAL 51 N 0.57 0.89 -0.83 3.13 2.07 -0.95 -1.42 116.25 119.71 1n1e h VAL 51 Ca 0.04 -0.09 -0.03 0.00 0.82 0.00 0.00 66.70 67.44 1n1e h VAL 51 Cb 0.97 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 31.31 1n1e h VAL 51 CO 0.09 0.05 0.39 0.03 0.02 0.00 0.00 177.57 178.15 1n1e h ARG 52 N 0.25 1.21 -0.26 1.57 3.08 -1.05 -1.16 114.38 118.02 1n1e h ARG 52 Ca 0.16 -0.18 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 1n1e h ARG 52 Cb 0.14 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 1n1e h ARG 52 CO -0.17 0.93 0.15 1.25 -1.07 0.00 0.00 179.97 181.07 1n1e h LEU 53 N 1.19 0.31 -0.44 3.04 5.85 -1.15 -1.05 115.31 123.06 1n1e h LEU 53 Ca 0.29 -0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.91 1n1e h LEU 53 Cb 0.13 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 1n1e h LEU 53 CO -0.03 0.28 0.14 0.58 -0.34 0.00 0.00 178.44 179.06 1n1e h VAL 54 N 0.32 1.22 -0.74 1.05 2.07 -0.91 -1.06 116.25 118.21 1n1e h VAL 54 Ca 0.09 -0.74 -0.05 0.00 0.82 0.00 0.00 66.70 66.82 1n1e h VAL 54 Cb 0.02 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 1n1e h VAL 54 CO -0.02 0.27 0.25 0.78 0.02 0.00 0.00 177.57 178.87 1n1e h ASN 55 N 0.58 1.05 -0.29 0.57 2.35 -1.14 -0.93 115.58 117.77 1n1e h ASN 55 Ca 0.14 -0.18 -0.07 0.00 -0.55 0.00 0.00 56.30 55.64 1n1e h ASN 55 Cb 0.27 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 1n1e h ASN 55 CO -0.00 0.96 -0.10 -0.08 -1.65 0.00 0.00 177.43 176.55 1n1e h GLU 56 N 1.09 0.58 0.00 0.81 4.81 -0.90 -3.07 114.58 117.89 1n1e h GLU 56 Ca 0.24 -0.24 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1n1e h GLU 56 Cb 0.27 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.62 1n1e h GLU 56 CO -0.01 0.80 0.00 1.63 -0.73 0.00 0.00 179.01 180.70 1n1e n LYS 57 N -4.46 0.09 -3.98 1.92 4.76 -0.43 -4.93 118.16 111.14 1n1e n LYS 57 Ca -0.03 0.09 -0.28 0.00 -2.87 0.00 0.00 58.31 55.22 1n1e n LYS 57 Cb 0.34 -1.61 -0.01 0.00 -1.84 0.00 0.00 35.03 31.91 1n1e n LYS 57 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1n1e n ARG 58 N -1.77 -3.66 -3.61 1.97 5.12 -0.37 -4.94 116.66 109.39 1n1e n ARG 58 Ca 0.06 0.44 -0.02 0.00 -1.93 0.00 0.00 57.85 56.40 1n1e n ARG 58 Cb 0.37 -4.81 -0.06 0.00 -1.16 0.00 0.00 32.46 26.80 1n1e n ARG 58 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 1n1e s GLU 59 N -6.58 0.39 -1.14 5.56 2.12 -1.11 -1.62 118.70 116.31 1n1e s GLU 59 Ca 0.22 0.71 -0.22 0.00 0.36 0.00 0.00 54.97 56.05 1n1e s GLU 59 Cb -0.12 0.15 -0.00 0.00 0.26 0.00 0.00 34.13 34.41 1n1e s GLU 59 CO 0.88 -0.09 1.78 1.21 -0.54 0.00 0.00 175.26 178.50 1n1e s ASN 60 N 1.55 5.91 0.11 -1.70 3.04 -1.26 -4.50 114.94 118.08 1n1e s ASN 60 Ca -0.08 -1.69 0.21 0.00 0.04 0.00 0.00 52.86 51.34 1n1e s ASN 60 Cb -0.04 -2.58 0.86 0.00 -1.54 0.00 0.00 41.25 37.95 1n1e s ASN 60 CO -0.16 -2.11 1.66 1.33 -3.04 0.00 0.00 177.10 174.78 1n1e n VAL 61 N 7.19 0.73 -0.04 -5.21 0.24 -1.26 -1.23 118.33 118.75 1n1e n VAL 61 Ca 0.43 0.13 -0.12 0.00 -2.04 0.00 0.00 64.34 62.74 1n1e n VAL 61 Cb 0.47 -0.91 -0.11 0.00 -1.47 0.00 0.00 33.84 31.82 1n1e n VAL 61 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1n1e h LEU 62 N 0.00 -0.02 0.00 1.34 3.38 -1.96 -3.43 115.31 114.61 1n1e h LEU 62 Ca 0.00 -0.72 0.00 0.00 0.09 0.00 0.00 57.88 57.25 1n1e h LEU 62 Cb 0.39 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1n1e h LEU 62 CO 0.00 0.75 -0.10 0.49 0.09 0.00 0.00 178.44 179.67 1n1e n PHE 63 N -4.73 0.00 -3.08 1.13 3.01 -1.18 -4.86 117.46 107.75 1n1e n PHE 63 Ca -0.09 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.20 1n1e n PHE 63 Cb 0.36 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.82 1n1e n PHE 63 CO 0.00 0.00 0.00 -0.11 1.01 0.00 0.00 176.76 177.66 1n1e n LEU 64 N -0.65 -0.14 -4.78 4.37 7.94 -0.36 -3.72 117.00 119.66 1n1e n LEU 64 Ca 0.00 -4.59 -0.41 0.00 -1.11 0.00 0.00 56.01 49.90 1n1e n LEU 64 Cb 0.00 0.75 -0.00 0.00 0.53 0.00 0.00 43.42 44.70 1n1e n LEU 64 CO 0.00 2.18 1.15 -0.54 -1.11 0.00 0.00 177.39 179.08 1n1e s LYS 65 N -1.46 4.09 0.00 1.96 1.02 -1.10 -3.37 119.74 120.89 1n1e s LYS 65 Ca 0.35 2.60 0.00 0.00 0.02 0.00 0.00 55.97 58.94 1n1e s LYS 65 Cb 0.29 -2.96 0.00 0.00 -0.52 0.00 0.00 37.83 34.64 1n1e s LYS 65 CO -0.09 -0.56 0.00 0.41 -0.92 0.00 0.00 175.35 174.19 1n1e n GLY 66 N 0.51 0.71 3.21 -3.33 0.00 -1.26 -5.03 105.19 99.99 1n1e n GLY 66 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 1n1e n GLY 66 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n1e s VAL 67 N -2.60 3.12 0.02 1.61 1.01 -1.22 -5.08 120.40 117.26 1n1e s VAL 67 Ca 0.00 -1.12 -0.30 0.00 0.00 0.00 0.00 61.98 60.56 1n1e s VAL 67 Cb 0.00 -2.67 -0.06 0.00 0.00 0.00 0.00 36.38 33.65 1n1e s VAL 67 CO 0.00 0.05 1.39 -1.58 0.00 0.00 0.00 175.10 174.95 1n1e s GLN 68 N 1.33 4.30 0.39 2.72 0.74 -1.26 -4.28 119.66 123.60 1n1e s GLN 68 Ca -0.02 1.97 -0.26 0.00 0.05 0.00 0.00 55.36 57.10 1n1e s GLN 68 Cb -0.18 -3.52 -0.09 0.00 1.10 0.00 0.00 33.01 30.33 1n1e s GLN 68 CO -0.02 -0.54 1.19 -0.51 -0.55 0.00 0.00 175.29 174.87 1n1e s LEU 69 N 2.15 4.22 0.64 3.68 1.43 -0.64 -4.99 118.68 125.17 1n1e s LEU 69 Ca 0.64 2.41 -0.18 0.00 -1.03 0.00 0.00 54.13 55.97 1n1e s LEU 69 Cb -0.32 -3.97 -0.01 0.00 0.03 0.00 0.00 46.19 41.92 1n1e s LEU 69 CO 0.27 -0.68 1.25 0.00 0.23 0.00 0.00 176.35 177.42 1n1e s ALA 70 N -1.36 2.39 0.47 4.21 0.00 -1.26 -4.92 121.76 121.29 1n1e s ALA 70 Ca 0.56 1.08 0.15 0.00 0.00 0.00 0.00 51.96 53.75 1n1e s ALA 70 Cb -0.32 -3.50 1.10 0.00 0.00 0.00 0.00 23.12 20.40 1n1e s ALA 70 CO 0.41 -1.49 2.05 0.66 0.00 0.00 0.00 175.76 177.38 1n1e h SER 71 N 0.51 0.00 -0.23 0.00 4.64 -1.99 -2.51 113.55 113.96 1n1e h SER 71 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1n1e h SER 71 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 1n1e h SER 71 CO 0.53 0.12 0.00 -0.46 -0.87 0.00 0.00 176.83 176.15 1n1e n ASN 72 N -4.38 1.75 -4.53 4.97 6.94 -1.26 -4.72 115.26 114.02 1n1e n ASN 72 Ca -0.03 -2.10 -0.35 0.00 -0.02 0.00 0.00 54.58 52.08 1n1e n ASN 72 Cb 0.19 -0.30 -0.11 0.00 -2.36 0.00 0.00 39.78 37.20 1n1e n ASN 72 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1n1e s ILE 73 N -1.64 4.42 -0.05 1.53 1.01 -0.95 -0.67 121.20 124.86 1n1e s ILE 73 Ca 0.17 -0.15 0.03 0.00 0.00 0.00 0.00 60.65 60.70 1n1e s ILE 73 Cb 0.10 -3.01 0.00 0.00 0.01 0.00 0.00 42.46 39.57 1n1e s ILE 73 CO 0.10 0.42 -0.15 -0.89 0.00 0.00 0.00 174.94 174.42 1n1e s THR 74 N 0.84 1.26 0.26 2.92 2.01 -0.53 -4.89 115.64 117.51 1n1e s THR 74 Ca 0.03 -0.60 -0.12 0.00 0.31 0.00 0.00 61.69 61.31 1n1e s THR 74 Cb -0.14 -1.10 -0.08 0.00 0.01 0.00 0.00 72.50 71.19 1n1e s THR 74 CO 0.02 0.37 0.61 -0.36 -0.69 0.00 0.00 174.62 174.58 1n1e s PHE 75 N 0.23 3.42 0.05 4.92 0.40 -1.26 -1.45 117.98 124.29 1n1e s PHE 75 Ca -0.07 1.01 -0.14 0.00 -0.60 0.00 0.00 56.93 57.13 1n1e s PHE 75 Cb -0.12 -2.36 0.02 0.00 0.51 0.00 0.00 43.02 41.07 1n1e s PHE 75 CO 0.02 0.22 0.32 -0.08 0.70 0.00 0.00 175.22 176.40 1n1e s THR 76 N -1.85 0.08 -1.85 0.64 -1.32 -0.62 -4.91 115.64 105.82 1n1e s THR 76 Ca 0.49 -0.67 0.17 0.00 -1.21 0.00 0.00 61.69 60.47 1n1e s THR 76 Cb -0.11 -0.98 0.29 0.00 -1.51 0.00 0.00 72.50 70.18 1n1e s THR 76 CO 0.20 -0.37 1.20 -1.54 -2.21 0.00 0.00 174.62 171.90 1n1e n SER 77 N 0.47 2.88 -4.48 8.08 3.41 -1.25 -1.28 113.62 121.45 1n1e n SER 77 Ca -0.18 -1.84 -0.42 0.00 -0.26 0.00 0.00 58.87 56.16 1n1e n SER 77 Cb 0.60 -0.16 -0.10 0.00 -0.26 0.00 0.00 64.21 64.29 1n1e n SER 77 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1n1e s ASP 78 N -1.25 6.10 0.26 4.04 -1.08 -1.26 -4.89 116.67 118.59 1n1e s ASP 78 Ca 0.27 -0.78 -0.05 0.00 -0.52 0.00 0.00 52.55 51.47 1n1e s ASP 78 Cb 0.16 -2.16 0.32 0.00 -1.46 0.00 0.00 42.92 39.79 1n1e s ASP 78 CO 0.23 -0.40 1.92 0.58 0.52 0.00 0.00 175.17 178.02 1n1e h VAL 79 N 5.60 1.24 -0.08 1.11 2.07 -1.93 -1.79 116.25 122.47 1n1e h VAL 79 Ca -0.28 -0.49 -0.21 0.00 0.82 0.00 0.00 66.70 66.54 1n1e h VAL 79 Cb 1.13 -0.06 0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1n1e h VAL 79 CO 0.71 0.25 -0.77 1.05 0.02 0.00 0.00 177.57 178.82 1n1e h GLU 80 N 1.24 0.66 -0.97 1.57 9.09 -1.94 -2.07 114.58 122.17 1n1e h GLU 80 Ca 0.33 -0.61 0.01 0.00 0.05 0.00 0.00 59.36 59.14 1n1e h GLU 80 Cb -0.09 0.15 -0.05 0.00 -1.65 0.00 0.00 28.75 27.11 1n1e h GLU 80 CO -0.07 1.21 0.64 0.87 0.05 0.00 0.00 179.01 181.72 1n1e h LYS 81 N 0.32 1.28 0.24 1.06 1.57 -1.94 -2.25 116.57 116.84 1n1e h LYS 81 Ca -0.07 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.62 1n1e h LYS 81 Cb 1.42 -0.29 0.00 0.00 0.08 0.00 0.00 32.23 33.45 1n1e h LYS 81 CO 0.16 0.85 -0.11 0.00 -0.57 0.00 0.00 179.45 179.77 1n1e h ALA 82 N 1.39 -0.32 0.00 3.86 0.00 -1.04 -3.23 119.26 119.93 1n1e h ALA 82 Ca 0.35 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1n1e h ALA 82 Cb -0.15 0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1n1e h ALA 82 CO -0.08 -0.68 -0.35 0.10 0.00 0.00 0.00 179.25 178.25 1n1e h TYR 83 N -0.32 0.00 -2.45 0.00 -0.00 -1.34 -3.43 116.97 109.43 1n1e h TYR 83 Ca -0.03 0.00 -0.53 0.00 0.00 0.00 0.00 58.73 58.17 1n1e h TYR 83 Cb 0.24 0.00 0.02 0.00 0.00 0.00 0.00 36.73 37.00 1n1e h TYR 83 CO -0.06 0.00 1.18 1.21 -0.00 0.00 0.00 178.16 180.48 1n1e s ASN 84 N -4.67 6.47 0.00 0.10 2.47 -0.85 -0.87 114.94 117.58 1n1e s ASN 84 Ca 0.07 2.66 0.00 0.00 0.42 0.00 0.00 52.86 56.01 1n1e s ASN 84 Cb 0.12 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.37 1n1e s ASN 84 CO 0.67 -1.02 0.00 0.61 -3.72 0.00 0.00 177.10 173.64 1n1e n GLY 85 N 4.39 1.72 3.77 1.21 0.00 -1.26 -5.00 105.19 110.02 1n1e n GLY 85 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 1n1e n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n1e s ALA 86 N -3.62 3.58 -1.09 4.61 0.00 -0.05 -4.54 121.76 120.65 1n1e s ALA 86 Ca 0.00 1.48 0.13 0.00 0.00 0.00 0.00 51.96 53.57 1n1e s ALA 86 Cb 0.00 -3.58 -0.03 0.00 0.00 0.00 0.00 23.12 19.52 1n1e s ALA 86 CO 0.00 -0.92 0.71 0.39 0.00 0.00 0.00 175.76 175.94 1n1e n GLU 87 N 0.87 2.05 -3.80 0.00 1.02 -0.30 -4.93 120.64 115.55 1n1e n GLU 87 Ca 0.02 -0.59 -0.13 0.00 -0.02 0.00 0.00 57.16 56.45 1n1e n GLU 87 Cb 0.40 -1.16 -0.10 0.00 -0.02 0.00 0.00 31.44 30.56 1n1e n GLU 87 CO 0.00 0.00 0.00 -1.50 1.18 0.00 0.00 177.13 176.81 1n1e s ILE 88 N -1.72 0.05 -0.10 -3.67 2.07 -1.24 -4.35 121.20 112.24 1n1e s ILE 88 Ca 0.10 -0.38 0.03 0.00 -1.41 0.00 0.00 60.65 58.99 1n1e s ILE 88 Cb 0.10 -0.49 0.01 0.00 0.13 0.00 0.00 42.46 42.21 1n1e s ILE 88 CO 0.36 -0.21 -0.20 -0.63 -1.91 0.00 0.00 174.94 172.35 1n1e s ILE 89 N -0.87 1.77 -0.09 2.00 1.01 -0.63 -1.89 121.20 122.51 1n1e s ILE 89 Ca -0.09 -0.84 0.02 0.00 0.00 0.00 0.00 60.65 59.73 1n1e s ILE 89 Cb -0.05 -1.56 -0.02 0.00 0.01 0.00 0.00 42.46 40.84 1n1e s ILE 89 CO 0.02 0.50 -0.14 -0.76 0.00 0.00 0.00 174.94 174.56 1n1e s LEU 90 N 0.53 2.70 -0.23 2.97 1.02 -0.44 -0.69 118.68 124.55 1n1e s LEU 90 Ca -0.15 -0.28 -0.06 0.00 0.02 0.00 0.00 54.13 53.65 1n1e s LEU 90 Cb -0.17 -1.58 -0.02 0.00 0.02 0.00 0.00 46.19 44.44 1n1e s LEU 90 CO 0.06 0.24 0.04 -0.36 0.02 0.00 0.00 176.35 176.35 1n1e s PHE 91 N -0.13 3.06 -0.03 0.29 0.40 -0.55 -0.77 117.98 120.25 1n1e s PHE 91 Ca -0.01 -0.51 0.24 0.00 -0.60 0.00 0.00 56.93 56.05 1n1e s PHE 91 Cb -0.14 -2.18 0.43 0.00 0.51 0.00 0.00 43.02 41.64 1n1e s PHE 91 CO 0.03 -0.36 1.17 0.28 0.70 0.00 0.00 175.22 177.05 1n1e n VAL 92 N 4.74 0.29 -2.87 -0.44 0.31 0.31 -0.97 118.33 119.70 1n1e n VAL 92 Ca -0.17 -1.32 -0.40 0.00 -0.01 0.00 0.00 64.34 62.44 1n1e n VAL 92 Cb 0.51 0.86 -0.05 0.00 -0.91 0.00 0.00 33.84 34.26 1n1e n VAL 92 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1n1e s ILE 93 N -0.48 4.67 0.51 2.52 1.01 -1.19 -4.59 121.20 123.65 1n1e s ILE 93 Ca 0.34 1.81 -0.22 0.00 0.00 0.00 0.00 60.65 62.58 1n1e s ILE 93 Cb 0.39 -4.20 -0.07 0.00 0.01 0.00 0.00 42.46 38.58 1n1e s ILE 93 CO -0.15 0.33 1.13 -2.65 0.00 0.00 0.00 174.94 173.59 1n1e n PRO 94 N 2.92 1.39 -0.26 2.79 -0.02 -1.26 -4.69 135.00 135.88 1n1e n PRO 94 Ca -0.00 0.51 0.05 0.00 -2.02 0.00 0.00 63.50 62.04 1n1e n PRO 94 Cb 0.50 -2.27 0.16 0.00 -0.02 0.00 0.00 33.50 31.86 1n1e n PRO 94 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1n1e h THR 95 N 1.27 0.32 0.00 3.45 2.02 -1.96 -0.77 112.91 117.25 1n1e h THR 95 Ca -0.48 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 66.67 1n1e h THR 95 Cb 1.33 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 67.96 1n1e h THR 95 CO 0.55 0.02 0.00 0.00 0.37 0.00 0.00 175.52 176.46 1n1e n GLN 96 N -5.36 0.43 0.00 6.66 1.13 -1.26 -2.72 117.38 116.26 1n1e n GLN 96 Ca 0.14 0.01 0.07 0.00 -1.94 0.00 0.00 57.00 55.28 1n1e n GLN 96 Cb 0.48 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.33 1n1e n GLN 96 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 1n1e n PHE 97 N -1.27 0.00 0.02 1.08 0.99 -0.32 -4.71 117.46 113.24 1n1e n PHE 97 Ca 0.14 0.00 -0.12 0.00 -0.00 0.00 0.00 57.45 57.47 1n1e n PHE 97 Cb 0.23 0.00 -0.08 0.00 -1.00 0.00 0.00 39.48 38.63 1n1e n PHE 97 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 1n1e h LEU 98 N 1.62 0.02 -0.19 4.37 3.38 -1.27 -2.65 115.31 120.59 1n1e h LEU 98 Ca 0.00 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 57.83 1n1e h LEU 98 Cb 0.47 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1n1e h LEU 98 CO 0.00 0.17 0.12 -0.09 0.09 0.00 0.00 178.44 178.72 1n1e h ARG 99 N -0.12 0.23 -0.95 1.13 2.43 -1.84 -2.40 114.38 112.86 1n1e h ARG 99 Ca 0.01 -0.01 0.12 0.00 -0.81 0.00 0.00 59.98 59.28 1n1e h ARG 99 Cb 0.15 -0.05 -0.08 0.00 -0.42 0.00 0.00 29.97 29.57 1n1e h ARG 99 CO -0.00 0.15 0.58 0.78 -1.51 0.00 0.00 179.97 179.97 1n1e h GLY 100 N 0.24 1.54 0.99 2.80 0.00 -1.85 -0.78 103.07 106.01 1n1e h GLY 100 Ca 0.07 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 47.02 1n1e h GLY 100 CO -0.03 0.13 0.17 -2.75 0.00 0.00 0.00 176.54 174.06 1n1e h PHE 101 N 0.91 0.33 -0.52 5.60 3.57 -1.07 -0.56 116.94 125.20 1n1e h PHE 101 Ca 0.47 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.86 1n1e h PHE 101 Cb 0.48 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.09 1n1e h PHE 101 CO -0.02 0.22 -0.14 0.74 -2.23 0.00 0.00 178.31 176.87 1n1e h PHE 102 N 0.34 1.15 -0.67 0.41 -1.00 -1.05 0.12 116.94 116.25 1n1e h PHE 102 Ca 0.09 -0.25 -0.02 0.00 2.81 0.00 0.00 57.97 60.60 1n1e h PHE 102 Cb -0.02 -0.28 -0.03 0.00 3.61 0.00 0.00 35.95 39.23 1n1e h PHE 102 CO -0.06 1.08 0.33 0.93 -1.61 0.00 0.00 178.31 178.98 1n1e h GLU 103 N 0.89 0.96 0.13 1.51 5.08 -0.97 -2.57 114.58 119.61 1n1e h GLU 103 Ca 0.13 -0.14 -0.30 0.00 -1.00 0.00 0.00 59.36 58.05 1n1e h GLU 103 Cb 0.72 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 1n1e h GLU 103 CO 0.06 0.76 -1.53 -0.22 -1.00 0.00 0.00 179.01 177.07 1n1e h LYS 104 N 0.93 0.26 0.00 2.33 3.64 -1.03 -3.43 116.57 119.27 1n1e h LYS 104 Ca 0.23 -0.45 0.00 0.00 -1.27 0.00 0.00 60.65 59.16 1n1e h LYS 104 Cb 0.11 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1n1e h LYS 104 CO -0.03 1.22 0.00 0.43 -2.27 0.00 0.00 179.45 178.80 1n1e n SER 105 N -3.83 0.95 -0.00 4.20 7.64 0.42 -4.88 113.62 118.12 1n1e n SER 105 Ca -0.26 -1.38 0.10 0.00 1.01 0.00 0.00 58.87 58.34 1n1e n SER 105 Cb 0.94 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 64.03 1n1e n SER 105 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1n1e n GLY 106 N -0.19 -1.01 0.29 0.23 0.00 -0.97 -4.66 105.19 98.88 1n1e n GLY 106 Ca 0.00 -0.58 -0.09 0.00 0.00 0.00 0.00 46.02 45.35 1n1e n GLY 106 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1n1e h GLY 107 N 4.90 -0.22 1.98 -0.02 0.00 -1.90 -0.07 103.07 107.74 1n1e h GLY 107 Ca 0.00 0.33 -0.17 0.00 0.00 0.00 0.00 47.33 47.49 1n1e h GLY 107 CO 0.00 -0.20 -0.79 3.43 0.00 0.00 0.00 176.54 178.97 1n1e h ASN 108 N -0.28 0.02 -0.59 0.19 2.35 -1.98 -2.66 115.58 112.65 1n1e h ASN 108 Ca 0.13 -0.02 0.02 0.00 -0.55 0.00 0.00 56.30 55.89 1n1e h ASN 108 Cb 0.48 -0.01 -0.04 0.00 0.05 0.00 0.00 38.32 38.81 1n1e h ASN 108 CO -0.40 0.80 0.37 0.25 -1.65 0.00 0.00 177.43 176.80 1n1e h LEU 109 N 0.01 0.61 -0.19 1.61 5.85 -1.68 -0.96 115.31 120.56 1n1e h LEU 109 Ca -0.01 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 1n1e h LEU 109 Cb 1.40 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.28 1n1e h LEU 109 CO 0.10 0.43 0.12 0.40 -0.34 0.00 0.00 178.44 179.15 1n1e h ILE 110 N 0.73 1.08 -0.75 4.05 2.04 -0.79 0.10 117.51 123.96 1n1e h ILE 110 Ca 0.23 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.89 1n1e h ILE 110 Cb -0.01 0.85 -0.04 0.00 -0.74 0.00 0.00 36.82 36.89 1n1e h ILE 110 CO -0.08 0.07 0.42 0.00 0.00 0.00 0.00 178.15 178.55 1n1e h ALA 111 N 1.03 0.97 0.45 1.87 0.00 -1.33 -1.49 119.26 120.76 1n1e h ALA 111 Ca 0.07 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1n1e h ALA 111 Cb 0.02 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.51 1n1e h ALA 111 CO -0.01 0.48 -0.22 -0.92 0.00 0.00 0.00 179.25 178.58 1n1e h TYR 112 N 1.04 -0.56 -0.80 0.00 3.20 -0.71 -0.24 116.97 118.91 1n1e h TYR 112 Ca 0.27 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.19 1n1e h TYR 112 Cb 0.03 0.18 -0.06 0.00 1.54 0.00 0.00 36.73 38.42 1n1e h TYR 112 CO -0.00 -0.34 0.47 0.00 -1.64 0.00 0.00 178.16 176.65 1n1e h ALA 113 N -0.05 1.10 0.03 1.82 0.00 -0.85 -1.36 119.26 119.95 1n1e h ALA 113 Ca -0.06 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1n1e h ALA 113 Cb 0.46 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1n1e h ALA 113 CO 0.10 0.16 -0.01 -0.22 0.00 0.00 0.00 179.25 179.28 1n1e h LYS 114 N 0.84 -0.04 -0.19 0.00 3.64 -1.17 0.13 116.57 119.78 1n1e h LYS 114 Ca 0.36 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.79 1n1e h LYS 114 Cb 0.24 0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 31.99 1n1e h LYS 114 CO -0.20 0.20 -0.46 1.49 -2.27 0.00 0.00 179.45 178.21 1n1e h GLU 115 N -0.27 -0.46 -0.28 1.90 4.22 -0.59 -2.97 114.58 116.13 1n1e h GLU 115 Ca -0.00 0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.47 1n1e h GLU 115 Cb 0.25 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1n1e h GLU 115 CO 0.01 -0.31 0.00 1.63 -2.18 0.00 0.00 179.01 178.16 1n1e n LYS 116 N -5.43 2.14 -3.92 1.92 4.76 -0.55 -4.96 118.16 112.11 1n1e n LYS 116 Ca -0.04 -1.71 -0.26 0.00 -2.87 0.00 0.00 58.31 53.43 1n1e n LYS 116 Cb 0.36 -1.45 -0.01 0.00 -1.84 0.00 0.00 35.03 32.09 1n1e n LYS 116 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1n1e n GLN 117 N 0.94 -3.02 -2.72 1.97 1.13 0.39 -4.88 117.38 111.19 1n1e n GLN 117 Ca 0.18 0.40 -0.42 0.00 -1.94 0.00 0.00 57.00 55.22 1n1e n GLN 117 Cb 0.47 -4.44 -0.03 0.00 0.11 0.00 0.00 30.24 26.35 1n1e n GLN 117 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1n1e s VAL 118 N -3.90 4.81 0.28 5.09 1.01 -0.78 -5.00 120.40 121.91 1n1e s VAL 118 Ca 0.06 1.98 -0.30 0.00 0.00 0.00 0.00 61.98 63.72 1n1e s VAL 118 Cb -0.02 -4.29 -0.12 0.00 0.00 0.00 0.00 36.38 31.95 1n1e s VAL 118 CO 0.89 0.02 1.47 -2.65 0.00 0.00 0.00 175.10 174.83 1n1e n PRO 119 N 4.94 2.34 -4.89 2.72 -0.02 -1.26 -4.83 135.00 134.00 1n1e n PRO 119 Ca 0.08 0.83 -0.33 0.00 -2.02 0.00 0.00 63.50 62.06 1n1e n PRO 119 Cb 0.49 -2.53 -0.15 0.00 -0.02 0.00 0.00 33.50 31.29 1n1e n PRO 119 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1n1e s VAL 120 N -0.23 2.83 -0.23 -1.45 1.01 0.81 -1.60 120.40 121.54 1n1e s VAL 120 Ca 0.64 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.87 1n1e s VAL 120 Cb -0.57 -2.16 0.03 0.00 0.00 0.00 0.00 36.38 33.68 1n1e s VAL 120 CO 0.52 0.54 -0.11 -0.22 0.00 0.00 0.00 175.10 175.82 1n1e s LEU 121 N 0.22 2.95 -0.28 3.92 2.96 0.14 -1.04 118.68 127.55 1n1e s LEU 121 Ca -0.10 -0.94 -0.17 0.00 -0.22 0.00 0.00 54.13 52.70 1n1e s LEU 121 Cb -0.16 -1.58 -0.03 0.00 0.50 0.00 0.00 46.19 44.93 1n1e s LEU 121 CO 0.06 -0.11 0.49 -0.69 -1.32 0.00 0.00 176.35 174.78 1n1e s VAL 122 N 1.26 5.08 -0.59 1.68 1.01 0.12 -1.48 120.40 127.47 1n1e s VAL 122 Ca -0.01 0.75 0.07 0.00 0.00 0.00 0.00 61.98 62.79 1n1e s VAL 122 Cb -0.16 -3.83 -0.00 0.00 0.00 0.00 0.00 36.38 32.38 1n1e s VAL 122 CO -0.07 0.05 0.50 0.00 0.00 0.00 0.00 175.10 175.58 1n1e s THR 124 N -1.07 3.24 -0.03 0.00 2.01 -1.18 -4.93 115.64 113.68 1n1e s THR 124 Ca 0.05 0.98 0.04 0.00 0.31 0.00 0.00 61.69 63.07 1n1e s THR 124 Cb 0.05 -3.52 -0.01 0.00 0.01 0.00 0.00 72.50 69.04 1n1e s THR 124 CO 0.17 0.03 -0.17 -0.54 -0.69 0.00 0.00 174.62 173.42 1n1e s LYS 125 N -2.50 1.64 0.00 4.92 1.02 -1.26 -4.77 119.74 118.79 1n1e s LYS 125 Ca 0.60 -0.60 0.00 0.00 0.02 0.00 0.00 55.97 55.99 1n1e s LYS 125 Cb -0.28 -1.47 0.00 0.00 -0.52 0.00 0.00 37.83 35.56 1n1e s LYS 125 CO 0.35 0.27 0.00 0.41 -0.92 0.00 0.00 175.35 175.46 1n1e n GLY 126 N 3.03 0.06 3.02 -3.33 0.00 -1.26 -4.55 105.19 102.15 1n1e n GLY 126 Ca -0.17 -1.74 -0.24 0.00 0.00 0.00 0.00 46.02 43.87 1n1e n GLY 126 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1n1e s ILE 127 N -1.74 1.06 0.22 -0.61 1.01 -1.26 -4.03 121.20 115.85 1n1e s ILE 127 Ca 0.00 -0.46 -0.30 0.00 0.00 0.00 0.00 60.65 59.89 1n1e s ILE 127 Cb 0.00 -0.96 -0.09 0.00 0.01 0.00 0.00 42.46 41.42 1n1e s ILE 127 CO 0.00 0.33 1.24 -0.70 0.00 0.00 0.00 174.94 175.81 1n1e s GLU 128 N 0.52 4.46 0.12 2.79 2.12 0.21 -4.50 118.70 124.42 1n1e s GLU 128 Ca -0.11 1.98 -0.31 0.00 0.36 0.00 0.00 54.97 56.89 1n1e s GLU 128 Cb -0.14 -3.19 -0.11 0.00 0.26 0.00 0.00 34.13 30.95 1n1e s GLU 128 CO 0.03 -0.12 1.51 0.00 -0.54 0.00 0.00 175.26 176.14 1n1e h ARG 129 N 4.84 -0.37 0.02 4.30 3.08 -1.91 -2.01 114.38 122.32 1n1e h ARG 129 Ca -0.45 0.03 -0.34 0.00 0.07 0.00 0.00 59.98 59.28 1n1e h ARG 129 Cb 1.22 0.08 -0.05 0.00 0.08 0.00 0.00 29.97 31.30 1n1e h ARG 129 CO 0.73 -0.25 -2.06 0.43 -1.07 0.00 0.00 179.97 177.75 1n1e n SER 130 N -5.20 0.88 0.18 7.04 7.64 -1.26 -4.21 113.62 118.69 1n1e n SER 130 Ca -0.04 0.19 0.12 0.00 1.01 0.00 0.00 58.87 60.15 1n1e n SER 130 Cb 0.32 0.14 0.17 0.00 -1.01 0.00 0.00 64.21 63.83 1n1e n SER 130 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1n1e h THR 131 N 0.01 0.00 -2.06 0.44 1.35 -1.99 -3.47 112.91 107.18 1n1e h THR 131 Ca -0.42 -0.93 -0.38 0.00 -0.55 0.00 0.00 66.41 64.13 1n1e h THR 131 Cb 2.08 1.83 -0.07 0.00 -1.73 0.00 0.00 68.15 70.27 1n1e h THR 131 CO 0.05 0.00 -0.44 0.18 -0.25 0.00 0.00 175.52 175.06 1n1e n LEU 132 N -2.91 -1.69 -4.85 3.87 4.77 -0.76 -5.00 117.00 110.44 1n1e n LEU 132 Ca 0.03 0.15 -0.35 0.00 -0.03 0.00 0.00 56.01 55.81 1n1e n LEU 132 Cb 0.52 -2.69 -0.06 0.00 -2.33 0.00 0.00 43.42 38.87 1n1e n LEU 132 CO 0.35 -0.48 0.19 -0.54 -1.33 0.00 0.00 177.39 175.58 1n1e s LYS 133 N -4.47 3.93 0.65 3.23 1.02 -1.26 -4.74 119.74 118.11 1n1e s LYS 133 Ca 0.00 0.42 -0.11 0.00 0.02 0.00 0.00 55.97 56.30 1n1e s LYS 133 Cb 0.00 -2.97 -0.02 0.00 -0.52 0.00 0.00 37.83 34.32 1n1e s LYS 133 CO 0.00 0.51 1.04 -0.06 -0.92 0.00 0.00 175.35 175.93 1n1e s PHE 134 N -1.42 3.38 0.24 3.18 0.40 -1.26 -0.62 117.98 121.89 1n1e s PHE 134 Ca 0.36 1.35 -0.04 0.00 -0.60 0.00 0.00 56.93 58.00 1n1e s PHE 134 Cb -0.15 -2.80 0.42 0.00 0.51 0.00 0.00 43.02 41.01 1n1e s PHE 134 CO 0.19 -0.94 1.77 -1.35 0.70 0.00 0.00 175.22 175.58 1n1e h PRO 135 N -0.48 0.57 0.00 0.24 0.11 -1.86 -0.18 132.00 130.40 1n1e h PRO 135 Ca -0.44 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.58 1n1e h PRO 135 Cb 1.20 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1n1e h PRO 135 CO 0.60 0.38 -0.27 0.00 -0.21 0.00 0.00 178.00 178.50 1n1e h ALA 136 N 1.49 1.48 -0.21 -0.75 0.00 -1.93 -1.53 119.26 117.81 1n1e h ALA 136 Ca 0.40 -0.24 -0.19 0.00 0.00 0.00 0.00 54.91 54.88 1n1e h ALA 136 Cb 0.50 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1n1e h ALA 136 CO -0.32 0.33 -0.62 0.93 0.00 0.00 0.00 179.25 179.57 1n1e h GLU 137 N 0.00 0.73 -0.01 0.00 5.08 -1.44 0.68 114.58 119.61 1n1e h GLU 137 Ca -0.00 -0.50 0.01 0.00 -1.00 0.00 0.00 59.36 57.87 1n1e h GLU 137 Cb 0.50 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1n1e h GLU 137 CO 0.03 1.12 -0.05 0.82 -1.00 0.00 0.00 179.01 179.93 1n1e h ILE 138 N 0.54 0.86 -0.47 3.13 2.04 -0.76 -2.86 117.51 119.99 1n1e h ILE 138 Ca -0.01 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.80 1n1e h ILE 138 Cb 1.21 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 38.13 1n1e h ILE 138 CO 0.13 0.00 0.07 0.40 0.00 0.00 0.00 178.15 178.74 1n1e h ILE 139 N -0.09 1.22 0.00 -0.67 2.04 -1.23 -2.10 117.51 116.69 1n1e h ILE 139 Ca 0.03 -0.84 0.00 0.00 1.00 0.00 0.00 64.86 65.04 1n1e h ILE 139 Cb 0.12 0.79 0.00 0.00 -0.74 0.00 0.00 36.82 37.00 1n1e h ILE 139 CO -0.07 0.30 0.00 1.23 0.00 0.00 0.00 178.15 179.62 1n1e h GLY 140 N 0.93 0.00 2.00 5.37 0.00 -0.64 0.30 103.07 111.03 1n1e h GLY 140 Ca 0.15 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.48 1n1e h GLY 140 CO 0.01 0.00 -0.01 0.83 0.00 0.00 0.00 176.54 177.36 1n1e h GLU 141 N 0.00 0.00 0.00 4.80 5.08 -1.19 -3.37 114.58 119.90 1n1e h GLU 141 Ca 0.00 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.23 1n1e h GLU 141 Cb 0.11 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 1n1e h GLU 141 CO 0.00 0.01 -1.50 1.19 -1.00 0.00 0.00 179.01 177.71 1n1e n PHE 142 N -3.11 0.00 -4.41 4.33 3.01 -0.12 -5.04 117.46 112.13 1n1e n PHE 142 Ca 0.02 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.20 1n1e n PHE 142 Cb 0.38 -0.36 -0.12 0.00 -0.01 0.00 0.00 39.48 39.38 1n1e n PHE 142 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1n1e s LEU 143 N -4.63 2.45 0.31 4.37 1.43 -0.09 -4.96 118.68 117.56 1n1e s LEU 143 Ca -0.04 -0.82 -0.29 0.00 -1.03 0.00 0.00 54.13 51.94 1n1e s LEU 143 Cb 0.02 -1.22 -0.11 0.00 0.03 0.00 0.00 46.19 44.92 1n1e s LEU 143 CO 0.29 0.13 1.50 -2.84 0.23 0.00 0.00 176.35 175.66 1n1e s PRO 144 N -2.55 4.18 0.42 1.29 0.02 -1.26 -4.31 135.00 132.79 1n1e s PRO 144 Ca 0.20 2.47 0.10 0.00 0.02 0.00 0.00 61.00 63.79 1n1e s PRO 144 Cb -0.08 -3.03 0.92 0.00 0.02 0.00 0.00 34.50 32.32 1n1e s PRO 144 CO 0.09 -0.51 2.03 0.66 -0.33 0.00 0.00 177.00 178.94 1n1e h SER 145 N 4.26 0.44 0.12 2.53 4.64 -1.95 -2.54 113.55 121.05 1n1e h SER 145 Ca -0.48 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1n1e h SER 145 Cb 1.23 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1n1e h SER 145 CO 0.74 0.30 0.00 -0.65 -0.87 0.00 0.00 176.83 176.34 1n1e h PRO 146 N 0.50 0.00 -0.00 4.77 0.11 -2.01 -1.77 132.00 133.60 1n1e h PRO 146 Ca 0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.31 1n1e h PRO 146 Cb 0.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.28 1n1e h PRO 146 CO -0.05 0.00 -0.28 1.28 -0.21 0.00 0.00 178.00 178.74 1n1e n LEU 147 N -2.72 0.66 -4.68 2.35 4.77 -0.95 -4.91 117.00 111.52 1n1e n LEU 147 Ca -0.02 -0.06 -0.36 0.00 -0.03 0.00 0.00 56.01 55.54 1n1e n LEU 147 Cb 0.08 -0.20 -0.09 0.00 -2.33 0.00 0.00 43.42 40.88 1n1e n LEU 147 CO 0.17 0.13 -0.18 -0.76 -1.33 0.00 0.00 177.39 175.42 1n1e s LEU 148 N -2.68 4.11 0.28 2.23 1.43 -0.67 -0.13 118.68 123.25 1n1e s LEU 148 Ca 0.21 0.14 0.05 0.00 -1.03 0.00 0.00 54.13 53.49 1n1e s LEU 148 Cb 0.19 -2.09 -0.06 0.00 0.03 0.00 0.00 46.19 44.26 1n1e s LEU 148 CO 0.56 0.10 -0.00 -0.44 0.23 0.00 0.00 176.35 176.80 1n1e s SER 149 N 0.82 2.39 -0.05 2.29 0.01 -0.20 -4.69 113.70 114.27 1n1e s SER 149 Ca 0.07 -1.26 0.04 0.00 1.31 0.00 0.00 55.95 56.11 1n1e s SER 149 Cb -0.13 -0.10 -0.00 0.00 0.21 0.00 0.00 66.02 66.01 1n1e s SER 149 CO 0.02 -0.48 -0.18 -0.69 0.41 0.00 0.00 173.24 172.33 1n1e s VAL 150 N -3.21 1.50 -0.16 3.43 1.01 0.43 -0.71 120.40 122.69 1n1e s VAL 150 Ca 0.32 -0.74 -0.05 0.00 0.00 0.00 0.00 61.98 61.50 1n1e s VAL 150 Cb 0.06 -1.30 -0.03 0.00 0.00 0.00 0.00 36.38 35.11 1n1e s VAL 150 CO 0.12 0.43 0.02 -0.22 0.00 0.00 0.00 175.10 175.45 1n1e s LEU 151 N 0.14 3.60 -0.23 3.92 0.20 -0.29 -0.17 118.68 125.85 1n1e s LEU 151 Ca -0.07 0.03 -0.17 0.00 0.69 0.00 0.00 54.13 54.61 1n1e s LEU 151 Cb -0.13 -1.88 0.06 0.00 -0.43 0.00 0.00 46.19 43.81 1n1e s LEU 151 CO 0.03 0.21 0.59 0.00 -0.29 0.00 0.00 176.35 176.90 1n1e s ALA 152 N 0.13 -1.52 0.00 5.97 0.00 -0.02 -4.60 121.76 121.72 1n1e s ALA 152 Ca 0.02 1.88 0.00 0.00 0.00 0.00 0.00 51.96 53.87 1n1e s ALA 152 Cb -0.13 -1.11 0.00 0.00 0.00 0.00 0.00 23.12 21.89 1n1e s ALA 152 CO 0.01 -0.31 0.00 0.41 0.00 0.00 0.00 175.76 175.88 1n1e n GLY 153 N 3.49 -1.79 3.55 0.00 0.00 -1.26 -0.59 105.19 108.59 1n1e n GLY 153 Ca -0.17 -1.12 -0.40 0.00 0.00 0.00 0.00 46.02 44.33 1n1e n GLY 153 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1n1e s PRO 154 N -1.75 3.06 -0.41 1.61 0.04 -1.25 -4.72 135.00 131.59 1n1e s PRO 154 Ca 0.00 -0.14 0.09 0.00 0.04 0.00 0.00 61.00 60.99 1n1e s PRO 154 Cb 0.00 -4.43 0.29 0.00 0.04 0.00 0.00 34.50 30.40 1n1e s PRO 154 CO 0.00 -2.38 0.71 -1.13 0.04 0.00 0.00 177.00 174.24 1n1e n SER 155 N 10.44 -0.37 -4.65 6.66 3.41 -1.26 -4.49 113.62 123.36 1n1e n SER 155 Ca 0.13 -3.00 -0.48 0.00 -0.26 0.00 0.00 58.87 55.26 1n1e n SER 155 Cb 0.50 0.03 -0.05 0.00 -0.26 0.00 0.00 64.21 64.43 1n1e n SER 155 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1n1e n PHE 156 N 0.96 2.06 -0.27 7.33 0.99 -1.26 -4.81 117.46 122.46 1n1e n PHE 156 Ca 0.19 0.37 0.05 0.00 -0.00 0.00 0.00 57.45 58.05 1n1e n PHE 156 Cb 0.61 -2.49 0.18 0.00 -1.00 0.00 0.00 39.48 36.78 1n1e n PHE 156 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1n1e h ALA 157 N 5.62 1.12 -0.71 4.37 0.00 -1.96 -1.70 119.26 126.01 1n1e h ALA 157 Ca -0.46 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.46 1n1e h ALA 157 Cb 1.28 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.03 1n1e h ALA 157 CO 0.86 -0.10 0.18 0.97 0.00 0.00 0.00 179.25 181.16 1n1e h ILE 158 N 0.58 1.26 -0.24 0.00 6.09 -1.90 0.28 117.51 123.59 1n1e h ILE 158 Ca 0.41 -0.97 -0.08 0.00 -1.37 0.00 0.00 64.86 62.85 1n1e h ILE 158 Cb 0.54 0.52 -0.00 0.00 0.47 0.00 0.00 36.82 38.35 1n1e h ILE 158 CO -0.34 0.37 -0.18 -0.33 -3.07 0.00 0.00 178.15 174.61 1n1e h GLU 159 N 1.08 0.54 -0.41 2.19 5.08 -1.81 -2.62 114.58 118.62 1n1e h GLU 159 Ca 0.22 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1n1e h GLU 159 Cb 0.37 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 1n1e h GLU 159 CO 0.00 0.84 0.27 0.28 -1.00 0.00 0.00 179.01 179.40 1n1e h VAL 160 N 0.25 1.11 -0.17 3.13 2.07 -1.06 -0.46 116.25 121.12 1n1e h VAL 160 Ca 0.05 -0.20 -0.06 0.00 0.82 0.00 0.00 66.70 67.30 1n1e h VAL 160 Cb 0.71 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 1n1e h VAL 160 CO 0.05 0.11 -0.16 0.00 0.02 0.00 0.00 177.57 177.58 1n1e h ALA 161 N 1.15 1.42 -0.64 1.67 0.00 -0.40 -2.68 119.26 119.78 1n1e h ALA 161 Ca 0.15 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1n1e h ALA 161 Cb -0.06 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1n1e h ALA 161 CO -0.03 0.40 0.00 0.25 0.00 0.00 0.00 179.25 179.87 1n1e n THR 162 N -4.23 0.85 -1.48 0.00 -2.24 -0.99 -4.85 114.28 101.35 1n1e n THR 162 Ca -0.01 -0.89 -0.05 0.00 -2.27 0.00 0.00 64.05 60.84 1n1e n THR 162 Cb 0.30 0.52 -0.01 0.00 -2.10 0.00 0.00 70.33 69.03 1n1e n THR 162 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1n1e n GLY 163 N 1.57 0.53 3.75 3.38 0.00 -0.94 -5.02 105.19 108.46 1n1e n GLY 163 Ca 0.22 -0.80 -0.40 0.00 0.00 0.00 0.00 46.02 45.04 1n1e n GLY 163 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n1e s VAL 164 N -2.19 4.35 -0.17 1.61 1.01 -0.22 -4.72 120.40 120.07 1n1e s VAL 164 Ca 0.00 1.90 -0.40 0.00 0.00 0.00 0.00 61.98 63.48 1n1e s VAL 164 Cb 0.00 -4.24 -0.17 0.00 0.00 0.00 0.00 36.38 31.97 1n1e s VAL 164 CO 0.00 0.45 1.53 0.33 0.00 0.00 0.00 175.10 177.41 1n1e n PHE 165 N 2.01 1.70 -3.81 5.22 7.35 -1.25 -4.46 117.46 124.21 1n1e n PHE 165 Ca -0.02 0.71 -0.13 0.00 -0.76 0.00 0.00 57.45 57.25 1n1e n PHE 165 Cb 0.48 -2.35 -0.14 0.00 0.35 0.00 0.00 39.48 37.83 1n1e n PHE 165 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 1n1e s THR 166 N 2.17 -0.01 -0.09 -2.13 2.01 -0.43 -5.02 115.64 112.13 1n1e s THR 166 Ca 0.94 0.05 0.02 0.00 0.31 0.00 0.00 61.69 63.01 1n1e s THR 166 Cb -1.12 -0.16 -0.02 0.00 0.01 0.00 0.00 72.50 71.21 1n1e s THR 166 CO 0.61 0.02 -0.14 0.00 -0.69 0.00 0.00 174.62 174.42 1n1e s VAL 168 N -0.20 0.81 -0.01 0.00 -7.23 -0.61 -3.95 120.40 109.20 1n1e s VAL 168 Ca 0.00 -1.99 -0.09 0.00 -1.81 0.00 0.00 61.98 58.10 1n1e s VAL 168 Cb -0.13 -1.92 -0.05 0.00 0.56 0.00 0.00 36.38 34.84 1n1e s VAL 168 CO 0.03 -0.66 0.28 -0.44 -0.31 0.00 0.00 175.10 174.00 1n1e s SER 169 N -3.13 6.55 -0.17 4.85 0.01 0.24 -0.44 113.70 121.60 1n1e s SER 169 Ca 0.18 0.64 0.00 0.00 1.31 0.00 0.00 55.95 58.09 1n1e s SER 169 Cb 0.05 -2.13 0.00 0.00 0.21 0.00 0.00 66.02 64.16 1n1e s SER 169 CO 0.00 0.29 -0.15 -0.63 0.41 0.00 0.00 173.24 173.16 1n1e s ILE 170 N -1.21 2.56 -0.12 1.44 1.01 -0.29 -0.84 121.20 123.76 1n1e s ILE 170 Ca 0.25 -0.79 -0.01 0.00 0.00 0.00 0.00 60.65 60.09 1n1e s ILE 170 Cb -0.14 -2.09 -0.02 0.00 0.01 0.00 0.00 42.46 40.22 1n1e s ILE 170 CO 0.13 0.51 -0.08 0.00 0.00 0.00 0.00 174.94 175.50 1n1e s ALA 171 N 1.04 2.87 -0.05 9.38 0.00 0.76 -1.34 121.76 134.42 1n1e s ALA 171 Ca -0.01 -0.87 -0.10 0.00 0.00 0.00 0.00 51.96 50.98 1n1e s ALA 171 Cb -0.15 -1.34 0.02 0.00 0.00 0.00 0.00 23.12 21.66 1n1e s ALA 171 CO -0.04 0.34 0.25 0.45 0.00 0.00 0.00 175.76 176.76 1n1e s SER 172 N -0.03 -0.19 0.30 0.00 0.15 -0.63 -0.43 113.70 112.87 1n1e s SER 172 Ca -0.01 0.25 0.05 0.00 0.70 0.00 0.00 55.95 56.94 1n1e s SER 172 Cb -0.14 0.40 0.72 0.00 -1.71 0.00 0.00 66.02 65.30 1n1e s SER 172 CO 0.03 -0.25 1.77 0.00 1.20 0.00 0.00 173.24 175.99 1n1e h ALA 173 N 4.88 1.61 -2.78 5.45 0.00 -1.83 -3.35 119.26 123.24 1n1e h ALA 173 Ca -0.28 0.09 -0.67 0.00 0.00 0.00 0.00 54.91 54.04 1n1e h ALA 173 Cb 1.19 -0.06 -0.20 0.00 0.00 0.00 0.00 17.79 18.72 1n1e h ALA 173 CO 0.37 -0.08 -0.51 0.34 0.00 0.00 0.00 179.25 179.38 1n1e s ASP 174 N -5.40 5.88 0.50 0.00 3.68 -1.26 -4.91 116.67 115.16 1n1e s ASP 174 Ca -0.11 -0.41 0.19 0.00 2.13 0.00 0.00 52.55 54.34 1n1e s ASP 174 Cb 0.25 -2.09 1.25 0.00 -1.45 0.00 0.00 42.92 40.87 1n1e s ASP 174 CO 0.80 -0.20 2.04 -0.29 0.13 0.00 0.00 175.17 177.64 1n1e h ILE 175 N 5.53 0.86 -0.02 4.11 6.09 -1.88 -1.50 117.51 130.70 1n1e h ILE 175 Ca -0.32 -0.04 -0.10 0.00 -1.37 0.00 0.00 64.86 63.02 1n1e h ILE 175 Cb 1.16 0.72 -0.01 0.00 0.47 0.00 0.00 36.82 39.16 1n1e h ILE 175 CO 0.62 0.02 -0.47 0.78 -3.07 0.00 0.00 178.15 176.03 1n1e h ASN 176 N 0.13 0.05 -0.12 2.19 2.35 -1.94 -0.21 115.58 118.03 1n1e h ASN 176 Ca 0.19 -0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.89 1n1e h ASN 176 Cb 0.58 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 38.93 1n1e h ASN 176 CO -0.02 0.51 -0.03 0.58 -1.65 0.00 0.00 177.43 176.82 1n1e h VAL 177 N 0.04 1.29 -0.67 2.81 2.07 -1.66 -1.95 116.25 118.18 1n1e h VAL 177 Ca -0.00 -0.97 0.08 0.00 0.82 0.00 0.00 66.70 66.62 1n1e h VAL 177 Cb 0.85 1.70 -0.06 0.00 -1.52 0.00 0.00 31.29 32.26 1n1e h VAL 177 CO 0.06 0.28 0.34 0.00 0.02 0.00 0.00 177.57 178.27 1n1e h ALA 178 N 0.69 0.90 -0.44 1.67 0.00 -1.27 -1.47 119.26 119.33 1n1e h ALA 178 Ca 0.03 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 1n1e h ALA 178 Cb 0.45 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1n1e h ALA 178 CO 0.01 -0.03 -0.05 0.00 0.00 0.00 0.00 179.25 179.18 1n1e h ARG 179 N 0.61 0.76 -0.01 0.00 3.08 -1.03 -0.17 114.38 117.61 1n1e h ARG 179 Ca 0.31 -0.22 -0.00 0.00 0.07 0.00 0.00 59.98 60.14 1n1e h ARG 179 Cb 0.28 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 1n1e h ARG 179 CO -0.23 0.80 0.01 -0.09 -1.07 0.00 0.00 179.97 179.39 1n1e h ARG 180 N 0.70 0.02 -0.49 0.04 2.43 -0.88 -2.51 114.38 113.69 1n1e h ARG 180 Ca 0.13 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.29 1n1e h ARG 180 Cb 0.51 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.03 1n1e h ARG 180 CO 0.03 0.18 0.28 -0.07 -1.51 0.00 0.00 179.97 178.87 1n1e h LEU 181 N -0.14 0.59 -1.22 3.80 3.38 -1.09 -0.80 115.31 119.83 1n1e h LEU 181 Ca 0.00 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1n1e h LEU 181 Cb 0.16 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 1n1e h LEU 181 CO -0.00 0.47 0.27 -0.61 0.09 0.00 0.00 178.44 178.67 1n1e h GLN 182 N 0.68 0.81 0.00 1.13 4.15 -0.91 0.10 115.11 121.07 1n1e h GLN 182 Ca 0.18 -0.10 -0.12 0.00 0.77 0.00 0.00 58.65 59.37 1n1e h GLN 182 Cb 0.01 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.53 1n1e h GLN 182 CO -0.03 0.63 -0.59 0.00 -1.93 0.00 0.00 178.83 176.91 1n1e h ARG 183 N 0.81 0.00 0.01 1.69 3.08 -0.72 -2.08 114.38 117.17 1n1e h ARG 183 Ca 0.20 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 60.04 1n1e h ARG 183 Cb 0.09 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.16 1n1e h ARG 183 CO -0.03 0.59 -0.83 0.82 -1.07 0.00 0.00 179.97 179.45 1n1e h ILE 184 N 0.00 1.36 0.00 2.04 2.04 -0.67 -0.93 117.51 121.35 1n1e h ILE 184 Ca -0.01 -2.19 -0.19 0.00 1.00 0.00 0.00 64.86 63.47 1n1e h ILE 184 Cb 1.16 2.55 -0.03 0.00 -0.74 0.00 0.00 36.82 39.75 1n1e h ILE 184 CO 0.08 0.66 -1.17 0.24 0.00 0.00 0.00 178.15 177.95 1n1e h MET 185 N 0.11 0.00 -6.93 2.37 2.86 -1.02 -3.46 114.93 108.86 1n1e h MET 185 Ca -0.11 0.00 -0.47 0.00 -2.06 0.00 0.00 59.70 57.06 1n1e h MET 185 Cb 1.53 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.19 1n1e h MET 185 CO 0.16 0.54 0.38 -1.12 1.06 0.00 0.00 176.91 177.93 1n1e s SER 186 N -6.21 7.01 0.10 1.22 0.01 -0.78 -4.88 113.70 110.17 1n1e s SER 186 Ca -0.01 1.95 0.05 0.00 1.31 0.00 0.00 55.95 59.25 1n1e s SER 186 Cb 0.09 -2.58 -0.04 0.00 0.21 0.00 0.00 66.02 63.69 1n1e s SER 186 CO 0.80 -0.31 0.00 0.42 0.41 0.00 0.00 173.24 174.57 1n1e s THR 187 N -1.66 3.99 -0.13 1.44 -4.23 -0.51 -4.91 115.64 109.63 1n1e s THR 187 Ca 0.55 -1.05 0.21 0.00 -1.18 0.00 0.00 61.69 60.22 1n1e s THR 187 Cb -0.20 -2.91 0.21 0.00 1.34 0.00 0.00 72.50 70.93 1n1e s THR 187 CO 0.26 0.09 1.63 1.23 -0.54 0.00 0.00 174.62 177.29 1n1e h GLY 188 N 3.32 0.00 0.38 3.99 0.00 -1.95 -1.85 103.07 106.96 1n1e h GLY 188 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 1n1e h GLY 188 CO 0.59 0.00 0.00 2.09 0.00 0.00 0.00 176.54 179.22 1n1e n ASP 189 N -3.23 0.00 -2.02 0.19 3.85 -1.26 -4.89 116.55 109.19 1n1e n ASP 189 Ca 0.02 -1.47 -0.20 0.00 -0.71 0.00 0.00 54.79 52.44 1n1e n ASP 189 Cb 0.57 0.00 -0.04 0.00 -1.35 0.00 0.00 41.12 40.29 1n1e n ASP 189 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1n1e n ARG 190 N -0.69 -1.61 0.08 0.11 5.12 -0.70 -4.88 116.66 114.09 1n1e n ARG 190 Ca 0.08 1.05 -0.06 0.00 -1.93 0.00 0.00 57.85 57.00 1n1e n ARG 190 Cb 0.04 -5.57 -0.07 0.00 -1.16 0.00 0.00 32.46 25.70 1n1e n ARG 190 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 1n1e h SER 191 N 0.00 0.00 -3.23 0.55 4.64 -1.85 -3.44 113.55 110.23 1n1e h SER 191 Ca -0.44 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 60.42 1n1e h SER 191 Cb 1.32 0.00 -0.39 0.00 -0.31 0.00 0.00 62.40 63.01 1n1e h SER 191 CO 0.57 0.92 -0.76 0.12 -0.87 0.00 0.00 176.83 176.80 1n1e s PHE 192 N -2.85 0.66 -0.12 4.77 5.36 -1.26 -1.32 117.98 123.22 1n1e s PHE 192 Ca 0.01 -0.42 0.02 0.00 -0.96 0.00 0.00 56.93 55.57 1n1e s PHE 192 Cb 0.10 -0.84 0.01 0.00 -0.34 0.00 0.00 43.02 41.96 1n1e s PHE 192 CO 0.81 -0.46 -0.16 0.08 -1.46 0.00 0.00 175.22 174.02 1n1e s VAL 193 N 1.98 1.62 0.01 3.12 1.01 -0.35 -1.42 120.40 126.37 1n1e s VAL 193 Ca 0.02 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.29 1n1e s VAL 193 Cb -0.15 -1.47 -0.04 0.00 0.00 0.00 0.00 36.38 34.72 1n1e s VAL 193 CO -0.07 0.47 0.07 0.00 0.00 0.00 0.00 175.10 175.57 1n1e s TRP 195 N -1.21 1.92 0.21 0.00 0.52 0.41 -4.95 118.94 115.85 1n1e s TRP 195 Ca 0.23 -0.78 -0.20 0.00 0.02 0.00 0.00 56.10 55.37 1n1e s TRP 195 Cb -0.12 -1.35 -0.08 0.00 -1.15 0.00 0.00 33.47 30.77 1n1e s TRP 195 CO 0.15 -0.37 0.73 0.00 0.02 0.00 0.00 176.95 177.48 1n1e s ALA 196 N 0.63 3.42 0.19 0.98 0.00 -1.26 -1.13 121.76 124.59 1n1e s ALA 196 Ca -0.14 0.19 -0.15 0.00 0.00 0.00 0.00 51.96 51.85 1n1e s ALA 196 Cb -0.16 -2.83 0.02 0.00 0.00 0.00 0.00 23.12 20.14 1n1e s ALA 196 CO 0.04 0.32 0.47 -0.08 0.00 0.00 0.00 175.76 176.51 1n1e s THR 197 N -1.47 0.03 -1.59 0.00 -1.32 -0.45 -4.91 115.64 105.93 1n1e s THR 197 Ca 0.42 -0.96 0.14 0.00 -1.21 0.00 0.00 61.69 60.08 1n1e s THR 197 Cb -0.17 -1.68 0.07 0.00 -1.51 0.00 0.00 72.50 69.20 1n1e s THR 197 CO 0.21 -0.15 0.88 0.35 -2.21 0.00 0.00 174.62 173.70 1n1e n THR 198 N -0.31 0.00 -1.98 5.08 -2.24 -1.26 -1.61 114.28 111.96 1n1e n THR 198 Ca -0.09 -0.44 -0.42 0.00 -2.27 0.00 0.00 64.05 60.83 1n1e n THR 198 Cb 0.62 1.25 0.00 0.00 -2.10 0.00 0.00 70.33 70.10 1n1e n THR 198 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1n1e n ASP 199 N 0.41 4.32 -0.13 3.42 4.64 -1.26 -4.53 116.55 123.42 1n1e n ASP 199 Ca 0.07 -2.93 -0.05 0.00 -1.38 0.00 0.00 54.79 50.50 1n1e n ASP 199 Cb 0.33 -1.60 0.14 0.00 -1.04 0.00 0.00 41.12 38.95 1n1e n ASP 199 CO 0.00 0.00 0.00 0.71 -0.82 0.00 0.00 177.20 177.09 1n1e h THR 200 N 3.98 1.25 -0.14 5.18 1.35 -1.89 -1.67 112.91 120.96 1n1e h THR 200 Ca 0.50 -1.01 -0.03 0.00 -0.55 0.00 0.00 66.41 65.32 1n1e h THR 200 Cb 0.65 0.85 -0.00 0.00 -1.73 0.00 0.00 68.15 67.91 1n1e h THR 200 CO 1.78 0.36 -0.03 0.58 -0.25 0.00 0.00 175.52 177.95 1n1e h VAL 201 N 0.78 1.29 -0.88 6.82 2.07 -1.96 -1.96 116.25 122.41 1n1e h VAL 201 Ca 0.15 -0.98 0.05 0.00 0.82 0.00 0.00 66.70 66.73 1n1e h VAL 201 Cb 0.45 1.65 -0.05 0.00 -1.52 0.00 0.00 31.29 31.82 1n1e h VAL 201 CO 0.02 0.29 0.58 1.23 0.02 0.00 0.00 177.57 179.70 1n1e h GLY 202 N -0.03 1.26 0.74 2.17 0.00 -1.88 -0.53 103.07 104.80 1n1e h GLY 202 Ca 0.04 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 46.94 1n1e h GLY 202 CO 0.01 0.34 -0.06 0.00 0.00 0.00 0.00 176.54 176.84 1n1e h GLU 204 N -0.42 0.24 -0.00 0.00 4.11 -1.21 -0.95 114.58 116.35 1n1e h GLU 204 Ca -0.02 -0.14 -0.00 0.00 0.07 0.00 0.00 59.36 59.27 1n1e h GLU 204 Cb 0.34 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 1n1e h GLU 204 CO 0.03 0.71 -0.00 0.28 0.07 0.00 0.00 179.01 180.09 1n1e h VAL 205 N 0.19 1.25 -0.46 -1.06 2.07 -1.10 -2.22 116.25 114.92 1n1e h VAL 205 Ca 0.00 -0.73 0.04 0.00 0.82 0.00 0.00 66.70 66.83 1n1e h VAL 205 Cb 0.98 1.75 -0.04 0.00 -1.52 0.00 0.00 31.29 32.46 1n1e h VAL 205 CO 0.08 0.19 0.21 0.00 0.02 0.00 0.00 177.57 178.08 1n1e h ALA 206 N 0.69 0.57 -0.66 1.67 0.00 -1.17 -1.05 119.26 119.31 1n1e h ALA 206 Ca 0.00 0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.97 1n1e h ALA 206 Cb 0.31 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1n1e h ALA 206 CO 0.00 -0.15 0.41 0.77 0.00 0.00 0.00 179.25 180.28 1n1e h SER 207 N 0.43 0.66 -0.08 0.00 0.02 -1.14 0.54 113.55 113.97 1n1e h SER 207 Ca 0.20 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 61.06 1n1e h SER 207 Cb 0.13 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1n1e h SER 207 CO -0.16 0.46 -0.33 0.00 -1.14 0.00 0.00 176.83 175.66 1n1e h ALA 208 N 1.29 0.15 -0.26 3.77 0.00 -1.07 -3.31 119.26 119.82 1n1e h ALA 208 Ca 0.27 -0.44 -0.16 0.00 0.00 0.00 0.00 54.91 54.57 1n1e h ALA 208 Cb 0.03 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1n1e h ALA 208 CO -0.11 0.21 -0.50 0.28 0.00 0.00 0.00 179.25 179.13 1n1e h VAL 209 N -0.11 1.29 -0.34 0.00 2.07 -1.11 -3.13 116.25 114.92 1n1e h VAL 209 Ca -0.02 -1.70 0.04 0.00 0.82 0.00 0.00 66.70 65.85 1n1e h VAL 209 Cb 0.97 1.62 -0.02 0.00 -1.52 0.00 0.00 31.29 32.34 1n1e h VAL 209 CO 0.07 0.54 0.23 0.07 0.02 0.00 0.00 177.57 178.50 1n1e h LYS 210 N 0.57 0.27 -0.22 1.57 5.09 -0.98 -0.71 116.57 122.16 1n1e h LYS 210 Ca 0.03 -0.02 -0.10 0.00 0.09 0.00 0.00 60.65 60.65 1n1e h LYS 210 Cb 1.06 -0.06 -0.01 0.00 0.10 0.00 0.00 32.23 33.32 1n1e h LYS 210 CO 0.10 0.18 -0.30 -0.91 -2.09 0.00 0.00 179.45 176.43 1n1e h ASN 211 N 0.28 0.44 -0.13 7.07 2.35 -1.63 -0.57 115.58 123.39 1n1e h ASN 211 Ca 0.14 -0.16 -0.04 0.00 -0.55 0.00 0.00 56.30 55.69 1n1e h ASN 211 Cb 0.22 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.47 1n1e h ASN 211 CO -0.03 0.73 -0.08 0.58 -1.65 0.00 0.00 177.43 176.97 1n1e h VAL 212 N 0.38 1.33 -0.62 2.81 2.07 -1.25 -2.86 116.25 118.11 1n1e h VAL 212 Ca 0.05 -1.17 0.05 0.00 0.82 0.00 0.00 66.70 66.45 1n1e h VAL 212 Cb 0.72 1.83 -0.04 0.00 -1.52 0.00 0.00 31.29 32.28 1n1e h VAL 212 CO 0.06 0.34 0.41 -0.07 0.02 0.00 0.00 177.57 178.32 1n1e h LEU 213 N -0.08 0.59 -1.00 2.57 3.38 -1.19 -2.09 115.31 117.48 1n1e h LEU 213 Ca 0.03 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 1n1e h LEU 213 Cb 0.57 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 1n1e h LEU 213 CO 0.02 0.39 -0.15 0.00 0.09 0.00 0.00 178.44 178.80 1n1e h ALA 214 N 1.65 1.16 -0.34 1.53 0.00 -1.00 0.71 119.26 122.97 1n1e h ALA 214 Ca 0.26 -0.30 0.03 0.00 0.00 0.00 0.00 54.91 54.90 1n1e h ALA 214 Cb 0.17 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1n1e h ALA 214 CO -0.07 0.53 0.16 0.82 0.00 0.00 0.00 179.25 180.69 1n1e h ILE 215 N 0.51 0.98 -0.77 0.00 2.04 -1.15 -0.77 117.51 118.33 1n1e h ILE 215 Ca 0.09 -0.12 0.10 0.00 1.00 0.00 0.00 64.86 65.93 1n1e h ILE 215 Cb 0.55 0.61 -0.08 0.00 -0.74 0.00 0.00 36.82 37.16 1n1e h ILE 215 CO 0.03 0.06 0.41 1.23 0.00 0.00 0.00 178.15 179.89 1n1e h GLY 216 N 0.34 1.19 0.97 5.37 0.00 -0.88 0.66 103.07 110.72 1n1e h GLY 216 Ca 0.14 -0.26 -0.03 0.00 0.00 0.00 0.00 47.33 47.18 1n1e h GLY 216 CO -0.10 0.07 0.19 0.23 0.00 0.00 0.00 176.54 176.92 1n1e h SER 217 N 0.67 0.73 -0.92 0.19 0.87 -0.32 -1.01 113.55 113.75 1n1e h SER 217 Ca 0.38 -0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.76 1n1e h SER 217 Cb 0.41 -0.19 -0.04 0.00 -0.44 0.00 0.00 62.40 62.14 1n1e h SER 217 CO -0.28 0.72 0.58 1.23 -0.53 0.00 0.00 176.83 178.55 1n1e h GLY 218 N 0.70 1.32 0.91 5.77 0.00 -0.61 -1.80 103.07 109.35 1n1e h GLY 218 Ca 0.17 -0.53 0.01 0.00 0.00 0.00 0.00 47.33 46.99 1n1e h GLY 218 CO -0.01 0.51 0.12 -2.08 0.00 0.00 0.00 176.54 175.09 1n1e h VAL 219 N 1.26 1.00 -0.59 4.60 2.07 -0.45 0.36 116.25 124.49 1n1e h VAL 219 Ca 0.33 -0.09 0.11 0.00 0.82 0.00 0.00 66.70 67.87 1n1e h VAL 219 Cb -0.09 0.72 -0.08 0.00 -1.52 0.00 0.00 31.29 30.32 1n1e h VAL 219 CO -0.07 0.05 0.15 0.00 0.02 0.00 0.00 177.57 177.72 1n1e h ALA 220 N 1.12 0.72 -0.56 1.67 0.00 -0.75 -0.13 119.26 121.33 1n1e h ALA 220 Ca 0.10 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1n1e h ALA 220 Cb 0.02 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1n1e h ALA 220 CO -0.06 -0.28 0.32 -0.97 0.00 0.00 0.00 179.25 178.26 1n1e h ASN 221 N 0.29 0.68 0.59 0.00 -0.73 -0.85 -1.35 115.58 114.20 1n1e h ASN 221 Ca 0.31 -0.07 -0.06 0.00 1.87 0.00 0.00 56.30 58.34 1n1e h ASN 221 Cb 0.44 -0.17 -0.01 0.00 0.27 0.00 0.00 38.32 38.85 1n1e h ASN 221 CO -0.37 0.56 -0.29 1.23 -0.37 0.00 0.00 177.43 178.18 1n1e h GLY 222 N 0.75 0.00 1.29 1.57 0.00 0.10 -1.79 103.07 104.99 1n1e h GLY 222 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.53 1n1e h GLY 222 CO -0.03 0.00 -0.05 1.04 0.00 0.00 0.00 176.54 177.50 1n1e n LEU 223 N -3.71 0.18 0.00 3.11 4.32 -0.16 -4.05 117.00 116.69 1n1e n LEU 223 Ca -0.01 0.17 0.00 0.00 -0.02 0.00 0.00 56.01 56.14 1n1e n LEU 223 Cb 0.40 -0.23 0.00 0.00 -1.62 0.00 0.00 43.42 41.97 1n1e n LEU 223 CO 0.35 0.03 0.00 0.61 -1.22 0.00 0.00 177.39 177.17 1n1e n GLY 224 N 1.27 0.78 3.81 -0.72 0.00 -0.67 -5.08 105.19 104.59 1n1e n GLY 224 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 1n1e n GLY 224 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1n1e s MET 225 N -0.57 2.02 0.00 1.61 -1.94 -0.53 -5.02 119.30 114.87 1n1e s MET 225 Ca 0.00 0.54 0.00 0.00 -1.71 0.00 0.00 55.69 54.52 1n1e s MET 225 Cb 0.00 -1.92 0.00 0.00 2.01 0.00 0.00 34.83 34.92 1n1e s MET 225 CO 0.00 -1.65 0.00 0.41 -0.01 0.00 0.00 175.02 173.77 1n1e n GLY 226 N -2.26 5.72 0.15 -0.03 0.00 -1.26 -4.47 105.19 103.03 1n1e n GLY 226 Ca 0.07 -2.04 -0.03 0.00 0.00 0.00 0.00 46.02 44.02 1n1e n GLY 226 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1n1e h LEU 227 N 0.00 0.11 -0.55 0.99 3.38 -1.99 -2.54 115.31 114.71 1n1e h LEU 227 Ca 0.00 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1n1e h LEU 227 Cb 0.00 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1n1e h LEU 227 CO 0.00 0.71 0.27 0.78 0.09 0.00 0.00 178.44 180.29 1n1e h ASN 228 N 0.07 0.72 -0.53 -0.43 2.35 -1.99 -1.61 115.58 114.16 1n1e h ASN 228 Ca -0.01 -0.13 -0.04 0.00 -0.55 0.00 0.00 56.30 55.57 1n1e h ASN 228 Cb 1.13 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 39.29 1n1e h ASN 228 CO 0.09 0.65 0.17 0.00 -1.65 0.00 0.00 177.43 176.68 1n1e h ALA 229 N 1.10 0.69 -0.44 -0.83 0.00 -1.92 -2.06 119.26 115.81 1n1e h ALA 229 Ca 0.19 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.96 1n1e h ALA 229 Cb 0.12 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 1n1e h ALA 229 CO -0.02 0.35 0.17 -0.09 0.00 0.00 0.00 179.25 179.66 1n1e h ARG 230 N 0.73 0.34 -0.82 0.00 2.43 -1.24 -0.74 114.38 115.09 1n1e h ARG 230 Ca 0.17 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.30 1n1e h ARG 230 Cb 0.28 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.71 1n1e h ARG 230 CO -0.01 0.23 0.45 0.00 -1.51 0.00 0.00 179.97 179.13 1n1e h ALA 231 N 1.27 1.05 -0.62 2.80 0.00 -1.05 -0.72 119.26 121.99 1n1e h ALA 231 Ca 0.20 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 1n1e h ALA 231 Cb 0.17 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1n1e h ALA 231 CO -0.19 0.56 0.14 0.00 0.00 0.00 0.00 179.25 179.76 1n1e h ALA 232 N 1.24 0.82 -0.62 0.00 0.00 -0.91 -1.52 119.26 118.27 1n1e h ALA 232 Ca 0.29 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1n1e h ALA 232 Cb 0.03 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1n1e h ALA 232 CO -0.05 0.54 0.19 1.25 0.00 0.00 0.00 179.25 181.19 1n1e h LEU 233 N 0.91 0.90 -0.34 0.00 6.46 -0.60 -0.48 115.31 122.16 1n1e h LEU 233 Ca 0.19 -0.21 -0.01 0.00 -0.12 0.00 0.00 57.88 57.74 1n1e h LEU 233 Cb 0.37 -0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 40.05 1n1e h LEU 233 CO 0.00 0.87 0.18 0.40 -0.62 0.00 0.00 178.44 179.27 1n1e h ILE 234 N 0.89 1.15 -0.09 4.05 2.04 -0.94 0.65 117.51 125.25 1n1e h ILE 234 Ca 0.20 -0.41 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 1n1e h ILE 234 Cb 0.29 0.80 -0.00 0.00 -0.74 0.00 0.00 36.82 37.16 1n1e h ILE 234 CO -0.01 0.16 0.01 -0.03 0.00 0.00 0.00 178.15 178.28 1n1e h MET 235 N 0.43 0.16 -0.11 2.37 4.05 -1.07 -1.81 114.93 118.94 1n1e h MET 235 Ca 0.12 -0.05 -0.14 0.00 -0.28 0.00 0.00 59.70 59.35 1n1e h MET 235 Cb 0.09 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 30.86 1n1e h MET 235 CO -0.02 0.40 -0.52 0.00 0.23 0.00 0.00 176.91 177.00 1n1e h ARG 236 N -0.10 0.32 -0.66 0.39 2.47 -1.08 -3.12 114.38 112.59 1n1e h ARG 236 Ca 0.03 -0.19 -0.05 0.00 -1.26 0.00 0.00 59.98 58.51 1n1e h ARG 236 Cb 0.33 0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 28.64 1n1e h ARG 236 CO 0.00 0.77 0.22 0.78 0.56 0.00 0.00 179.97 182.30 1n1e h GLY 237 N 1.30 1.07 1.70 0.04 0.00 -0.74 -2.71 103.07 103.73 1n1e h GLY 237 Ca 0.01 -0.60 0.02 0.00 0.00 0.00 0.00 47.33 46.76 1n1e h GLY 237 CO 0.09 0.56 0.16 -2.00 0.00 0.00 0.00 176.54 175.35 1n1e h LEU 238 N 0.97 0.19 -1.53 3.11 5.85 -1.26 -0.38 115.31 122.26 1n1e h LEU 238 Ca 0.22 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.94 1n1e h LEU 238 Cb 0.26 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 1n1e h LEU 238 CO -0.01 0.14 0.29 -0.07 -0.34 0.00 0.00 178.44 178.44 1n1e h LEU 239 N 0.22 0.53 -0.25 2.25 3.38 -1.55 -0.28 115.31 119.61 1n1e h LEU 239 Ca 0.09 -0.02 -0.14 0.00 0.09 0.00 0.00 57.88 57.91 1n1e h LEU 239 Cb 0.10 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 1n1e h LEU 239 CO -0.02 0.39 -0.38 -0.33 0.09 0.00 0.00 178.44 178.19 1n1e h GLU 240 N 0.62 0.69 -0.58 1.13 5.08 -1.13 -0.78 114.58 119.60 1n1e h GLU 240 Ca 0.17 -0.42 0.04 0.00 -1.00 0.00 0.00 59.36 58.15 1n1e h GLU 240 Cb -0.05 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.19 1n1e h GLU 240 CO -0.03 1.04 0.33 0.82 -1.00 0.00 0.00 179.01 180.16 1n1e h ILE 241 N 0.41 1.01 -0.30 3.13 2.04 -1.20 -1.52 117.51 121.08 1n1e h ILE 241 Ca 0.02 -0.22 -0.02 0.00 1.00 0.00 0.00 64.86 65.64 1n1e h ILE 241 Cb 0.97 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 1n1e h ILE 241 CO 0.09 0.12 0.11 -0.09 0.00 0.00 0.00 178.15 178.37 1n1e h ARG 242 N 0.64 0.45 -0.46 2.37 2.43 -0.84 -1.40 114.38 117.56 1n1e h ARG 242 Ca 0.25 -0.09 -0.09 0.00 -0.81 0.00 0.00 59.98 59.24 1n1e h ARG 242 Cb 0.10 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 1n1e h ARG 242 CO -0.14 0.49 -0.07 -0.44 -1.51 0.00 0.00 179.97 178.29 1n1e h ASP 243 N 0.33 0.86 -0.60 -3.80 3.32 -0.98 -2.09 116.42 113.46 1n1e h ASP 243 Ca 0.10 -0.35 -0.09 0.00 0.02 0.00 0.00 57.03 56.72 1n1e h ASP 243 Cb 0.21 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 1n1e h ASP 243 CO -0.01 1.00 0.04 0.25 -1.72 0.00 0.00 179.24 178.81 1n1e h LEU 244 N 0.70 1.01 -0.26 1.55 5.85 -1.22 -2.12 115.31 120.82 1n1e h LEU 244 Ca 0.12 -0.26 0.02 0.00 0.84 0.00 0.00 57.88 58.60 1n1e h LEU 244 Cb 0.61 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 1n1e h LEU 244 CO 0.04 1.04 0.12 0.74 -0.34 0.00 0.00 178.44 180.04 1n1e h THR 245 N 0.96 0.97 -0.62 1.05 2.02 -1.09 -1.36 112.91 114.84 1n1e h THR 245 Ca 0.18 -0.09 0.06 0.00 0.77 0.00 0.00 66.41 67.33 1n1e h THR 245 Cb 0.50 0.69 -0.05 0.00 -1.74 0.00 0.00 68.15 67.55 1n1e h THR 245 CO 0.02 0.05 0.33 0.00 0.37 0.00 0.00 175.52 176.29 1n1e h ALA 246 N 1.15 0.83 0.00 6.16 0.00 -1.24 -1.50 119.26 124.65 1n1e h ALA 246 Ca 0.11 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1n1e h ALA 246 Cb 0.05 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1n1e h ALA 246 CO -0.09 -0.01 -0.27 0.00 0.00 0.00 0.00 179.25 178.88 1n1e h ALA 247 N 1.34 1.13 -0.08 0.00 0.00 -0.88 -2.82 119.26 117.95 1n1e h ALA 247 Ca 0.28 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1n1e h ALA 247 Cb 0.20 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1n1e h ALA 247 CO -0.19 0.34 0.00 1.28 0.00 0.00 0.00 179.25 180.68 1n1e n LEU 248 N -3.61 2.30 0.00 0.00 4.77 -0.56 -4.95 117.00 114.95 1n1e n LEU 248 Ca -0.01 -0.82 0.00 0.00 -0.03 0.00 0.00 56.01 55.15 1n1e n LEU 248 Cb 0.40 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 1n1e n LEU 248 CO 0.34 0.41 0.00 0.61 -1.33 0.00 0.00 177.39 177.42 1n1e n GLY 249 N 1.27 0.78 3.78 -0.72 0.00 -0.90 -5.05 105.19 104.34 1n1e n GLY 249 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 1n1e n GLY 249 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1n1e s GLY 250 N -1.79 2.67 0.11 -0.02 0.00 -0.62 -4.96 107.32 102.72 1n1e s GLY 250 Ca 0.00 0.84 0.27 0.00 0.00 0.00 0.00 44.72 45.83 1n1e s GLY 250 CO 0.00 1.22 1.82 2.09 0.00 0.00 0.00 173.10 178.23 1n1e n ASP 251 N -0.97 0.46 0.00 1.64 3.85 -1.26 -4.41 116.55 115.86 1n1e n ASP 251 Ca 0.10 0.51 0.00 0.00 -0.71 0.00 0.00 54.79 54.69 1n1e n ASP 251 Cb 0.50 -0.62 0.00 0.00 -1.35 0.00 0.00 41.12 39.65 1n1e n ASP 251 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1n1e n GLY 252 N 1.39 0.76 0.23 6.12 0.00 -1.26 -4.93 105.19 107.51 1n1e n GLY 252 Ca 0.06 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.14 1n1e n GLY 252 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1n1e h SER 253 N 0.00 0.00 1.12 1.61 4.64 -1.94 -2.57 113.55 116.40 1n1e h SER 253 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 1n1e h SER 253 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1n1e h SER 253 CO 0.00 0.19 -0.20 0.00 -0.87 0.00 0.00 176.83 175.95 1n1e h ALA 254 N 1.81 0.97 -0.48 5.18 0.00 -1.91 -3.35 119.26 121.48 1n1e h ALA 254 Ca -0.00 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 54.79 1n1e h ALA 254 Cb 0.37 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 1n1e h ALA 254 CO 0.03 0.25 0.18 0.28 0.00 0.00 0.00 179.25 179.98 1n1e h VAL 255 N 0.00 0.85 -0.61 0.00 2.07 -1.76 -1.11 116.25 115.70 1n1e h VAL 255 Ca -0.00 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.40 1n1e h VAL 255 Cb 0.81 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1n1e h VAL 255 CO 0.03 0.06 0.00 0.49 0.02 0.00 0.00 177.57 178.17 1n1e n PHE 256 N -5.00 1.70 -1.96 1.57 0.99 -1.26 -0.92 117.46 112.58 1n1e n PHE 256 Ca 0.04 -0.67 0.00 0.00 -0.00 0.00 0.00 57.45 56.83 1n1e n PHE 256 Cb 0.18 -0.35 0.00 0.00 -1.00 0.00 0.00 39.48 38.31 1n1e n PHE 256 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1n1e n GLY 257 N 0.87 3.07 0.29 1.37 0.00 -0.45 -4.70 105.19 105.64 1n1e n GLY 257 Ca 0.26 -2.00 -0.10 0.00 0.00 0.00 0.00 46.02 44.19 1n1e n GLY 257 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1n1e h LEU 258 N 0.00 0.99 -0.72 0.99 3.38 -1.91 -1.50 115.31 116.54 1n1e h LEU 258 Ca 0.00 -0.33 -0.10 0.00 0.09 0.00 0.00 57.88 57.53 1n1e h LEU 258 Cb 0.00 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 1n1e h LEU 258 CO 0.00 1.09 -0.14 0.00 0.09 0.00 0.00 178.44 179.48 1n1e h ALA 259 N 0.94 0.91 -3.00 1.53 0.00 -1.73 -0.59 119.26 117.32 1n1e h ALA 259 Ca 0.15 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1n1e h ALA 259 Cb 0.62 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1n1e h ALA 259 CO 0.04 0.63 0.00 0.41 0.00 0.00 0.00 179.25 180.33 1n1e n GLY 260 N -0.34 0.63 0.24 0.00 0.00 -1.03 -4.25 105.19 100.43 1n1e n GLY 260 Ca 0.01 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.05 1n1e n GLY 260 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1n1e h LEU 261 N 0.00 -0.18 0.13 0.99 6.46 -0.62 0.38 115.31 122.47 1n1e h LEU 261 Ca 0.00 0.15 -0.01 0.00 -0.12 0.00 0.00 57.88 57.90 1n1e h LEU 261 Cb 0.00 0.24 0.00 0.00 -0.73 0.00 0.00 40.66 40.17 1n1e h LEU 261 CO 0.00 -0.09 -0.06 1.23 -0.62 0.00 0.00 178.44 178.90 1n1e h GLY 262 N 0.16 -0.18 1.16 3.75 0.00 -1.25 -1.06 103.07 105.65 1n1e h GLY 262 Ca 0.34 0.07 -0.16 0.00 0.00 0.00 0.00 47.33 47.58 1n1e h GLY 262 CO -0.51 -0.07 -0.42 -1.80 0.00 0.00 0.00 176.54 173.74 1n1e h ASP 263 N -0.33 0.98 0.14 0.19 -0.00 -0.91 -2.05 116.42 114.44 1n1e h ASP 263 Ca -0.02 -0.46 -0.00 0.00 -0.00 0.00 0.00 57.03 56.55 1n1e h ASP 263 Cb 0.26 -0.28 -0.01 0.00 -0.00 0.00 0.00 39.33 39.31 1n1e h ASP 263 CO 0.03 1.26 -0.10 0.25 -0.00 0.00 0.00 179.24 180.68 1n1e h LEU 264 N 0.73 -0.26 -0.84 2.28 5.85 -0.87 -1.09 115.31 121.12 1n1e h LEU 264 Ca 0.05 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.73 1n1e h LEU 264 Cb 1.02 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 42.10 1n1e h LEU 264 CO 0.10 -0.16 0.15 0.06 -0.34 0.00 0.00 178.44 178.25 1n1e h GLN 265 N -0.25 1.02 0.12 1.25 -0.00 -1.15 -1.86 115.11 114.24 1n1e h GLN 265 Ca -0.01 -0.23 -0.01 0.00 -0.00 0.00 0.00 58.65 58.40 1n1e h GLN 265 Cb 0.22 -0.14 0.00 0.00 -0.00 0.00 0.00 27.48 27.56 1n1e h GLN 265 CO -0.00 0.91 -0.06 1.25 -0.00 0.00 0.00 178.83 180.93 1n1e h LEU 266 N 0.97 -0.14 -0.73 0.06 5.85 -1.23 -3.01 115.31 117.08 1n1e h LEU 266 Ca 0.20 -0.03 -0.14 0.00 0.84 0.00 0.00 57.88 58.76 1n1e h LEU 266 Cb 0.35 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 1n1e h LEU 266 CO 0.00 -0.06 -0.60 0.74 -0.34 0.00 0.00 178.44 178.18 1n1e h THR 267 N -0.20 1.40 0.00 1.05 2.02 -1.01 -2.54 112.91 113.63 1n1e h THR 267 Ca -0.02 -2.00 0.00 0.00 0.77 0.00 0.00 66.41 65.17 1n1e h THR 267 Cb 0.15 2.04 0.00 0.00 -1.74 0.00 0.00 68.15 68.60 1n1e h THR 267 CO 0.03 0.58 0.00 0.00 0.37 0.00 0.00 175.52 176.50 1n1e n SER 269 N -1.37 2.34 -3.72 0.00 7.64 -0.96 -4.76 113.62 112.78 1n1e n SER 269 Ca 0.10 -1.99 -0.13 0.00 1.01 0.00 0.00 58.87 57.86 1n1e n SER 269 Cb 0.24 -0.09 -0.10 0.00 -1.01 0.00 0.00 64.21 63.25 1n1e n SER 269 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1n1e s SER 270 N -0.99 -0.46 0.15 6.43 0.15 -1.24 -5.01 113.70 112.72 1n1e s SER 270 Ca 0.09 0.88 0.16 0.00 0.70 0.00 0.00 55.95 57.78 1n1e s SER 270 Cb 0.04 0.88 0.73 0.00 -1.71 0.00 0.00 66.02 65.97 1n1e s SER 270 CO 0.06 -0.15 1.49 -0.62 1.20 0.00 0.00 173.24 175.22 1n1e n GLU 271 N 2.93 0.09 0.28 5.44 1.02 -1.26 -1.66 120.64 127.47 1n1e n GLU 271 Ca -0.14 0.43 0.16 0.00 -0.02 0.00 0.00 57.16 57.60 1n1e n GLU 271 Cb 0.57 -1.71 0.92 0.00 -0.02 0.00 0.00 31.44 31.19 1n1e n GLU 271 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1n1e h LEU 272 N 0.00 0.00 -9.38 -4.62 3.38 -1.95 -3.42 115.31 99.32 1n1e h LEU 272 Ca 0.00 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.43 1n1e h LEU 272 Cb 0.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1n1e h LEU 272 CO 0.00 0.00 0.63 -0.55 0.09 0.00 0.00 178.44 178.61 1n1e s SER 273 N -5.99 7.08 0.31 -0.43 0.15 -0.67 -4.93 113.70 109.23 1n1e s SER 273 Ca -0.05 1.87 0.04 0.00 0.70 0.00 0.00 55.95 58.51 1n1e s SER 273 Cb 0.15 -2.57 0.51 0.00 -1.71 0.00 0.00 66.02 62.40 1n1e s SER 273 CO 0.53 -0.52 1.79 0.03 1.20 0.00 0.00 173.24 176.28 1n1e h ARG 274 N 7.19 0.49 -0.25 5.44 -0.00 -1.88 -1.73 114.38 123.63 1n1e h ARG 274 Ca -0.37 -0.14 -0.12 0.00 -0.50 0.00 0.00 59.98 58.85 1n1e h ARG 274 Cb 1.18 -0.05 -0.00 0.00 0.00 0.00 0.00 29.97 31.10 1n1e h ARG 274 CO 0.85 0.62 -0.29 -0.91 0.00 0.00 0.00 179.97 180.23 1n1e h ASN 275 N 0.45 0.70 -0.42 7.04 2.35 -1.89 -1.44 115.58 122.37 1n1e h ASN 275 Ca 0.08 -0.49 0.05 0.00 -0.55 0.00 0.00 56.30 55.39 1n1e h ASN 275 Cb 0.51 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 38.64 1n1e h ASN 275 CO 0.03 1.05 0.17 0.15 -1.65 0.00 0.00 177.43 177.18 1n1e h PHE 276 N 0.37 0.30 -0.80 1.19 3.57 -1.62 -1.49 116.94 118.46 1n1e h PHE 276 Ca 0.04 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.52 1n1e h PHE 276 Cb 0.87 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.50 1n1e h PHE 276 CO 0.08 0.13 0.37 1.15 -2.23 0.00 0.00 178.31 177.80 1n1e h THR 277 N 0.35 1.26 -0.14 4.41 2.02 -1.18 -0.38 112.91 119.24 1n1e h THR 277 Ca 0.19 -0.74 0.02 0.00 0.77 0.00 0.00 66.41 66.65 1n1e h THR 277 Cb 0.16 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 66.80 1n1e h THR 277 CO -0.18 0.31 -0.01 0.58 0.37 0.00 0.00 175.52 176.59 1n1e h VAL 278 N 1.15 0.89 -0.61 3.16 2.07 -0.92 -1.86 116.25 120.13 1n1e h VAL 278 Ca 0.27 -0.01 0.10 0.00 0.82 0.00 0.00 66.70 67.88 1n1e h VAL 278 Cb 0.15 0.85 -0.07 0.00 -1.52 0.00 0.00 31.29 30.70 1n1e h VAL 278 CO -0.03 0.01 0.22 1.23 0.02 0.00 0.00 177.57 179.01 1n1e h GLY 279 N 0.03 0.84 0.90 2.17 0.00 -0.68 -0.87 103.07 105.47 1n1e h GLY 279 Ca 0.07 -0.11 0.02 0.00 0.00 0.00 0.00 47.33 47.31 1n1e h GLY 279 CO -0.12 -0.03 0.27 1.70 0.00 0.00 0.00 176.54 178.36 1n1e h LYS 280 N 0.39 0.53 -0.51 4.80 3.64 -0.78 -0.19 116.57 124.44 1n1e h LYS 280 Ca 0.31 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.57 1n1e h LYS 280 Cb 0.39 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 1n1e h LYS 280 CO -0.32 0.35 -0.02 0.87 -2.27 0.00 0.00 179.45 178.06 1n1e h LYS 281 N 0.54 0.88 -0.69 1.90 1.57 -0.81 -0.71 116.57 119.26 1n1e h LYS 281 Ca 0.18 -0.26 -0.03 0.00 -1.87 0.00 0.00 60.65 58.67 1n1e h LYS 281 Cb 0.01 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 1n1e h LYS 281 CO -0.08 0.89 0.30 -0.07 -0.57 0.00 0.00 179.45 179.92 1n1e h LEU 282 N 0.81 0.93 -1.31 2.94 3.38 -0.71 -1.79 115.31 119.56 1n1e h LEU 282 Ca 0.15 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 1n1e h LEU 282 Cb 0.51 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1n1e h LEU 282 CO 0.03 0.83 -0.21 1.23 0.09 0.00 0.00 178.44 180.40 1n1e h GLY 283 N 0.97 0.21 1.85 0.83 0.00 -0.67 -2.14 103.07 104.12 1n1e h GLY 283 Ca 0.23 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1n1e h GLY 283 CO -0.02 0.14 0.00 0.28 0.00 0.00 0.00 176.54 176.93 1n1e n LYS 284 N -4.21 0.15 0.00 4.80 4.76 -0.30 -4.19 118.16 119.16 1n1e n LYS 284 Ca -0.01 0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1n1e n LYS 284 Cb 0.32 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.01 1n1e n LYS 284 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1n1e n GLY 285 N 1.33 1.14 3.78 0.72 0.00 -0.80 -5.08 105.19 106.28 1n1e n GLY 285 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 1n1e n GLY 285 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n1e s LEU 286 N 0.00 4.30 0.43 0.99 1.43 -0.73 -5.01 118.68 120.09 1n1e s LEU 286 Ca 0.00 1.89 -0.23 0.00 -1.03 0.00 0.00 54.13 54.76 1n1e s LEU 286 Cb 0.00 -4.04 -0.09 0.00 0.03 0.00 0.00 46.19 42.09 1n1e s LEU 286 CO 0.00 -0.16 1.05 -2.16 0.23 0.00 0.00 176.35 175.32 1n1e s PRO 287 N -2.13 4.05 0.54 1.29 0.04 -1.26 -4.33 135.00 133.19 1n1e s PRO 287 Ca 0.52 1.48 0.22 0.00 0.04 0.00 0.00 61.00 63.26 1n1e s PRO 287 Cb -0.20 -2.41 1.40 0.00 0.04 0.00 0.00 34.50 33.33 1n1e s PRO 287 CO 0.25 -0.24 2.08 0.97 0.04 0.00 0.00 177.00 180.10 1n1e h ILE 288 N 2.00 0.80 -0.52 0.56 6.09 -1.93 -2.08 117.51 122.42 1n1e h ILE 288 Ca -0.49 0.00 -0.10 0.00 -1.37 0.00 0.00 64.86 62.91 1n1e h ILE 288 Cb 1.22 0.87 -0.02 0.00 0.47 0.00 0.00 36.82 39.35 1n1e h ILE 288 CO 0.61 0.00 -0.06 -0.33 -3.07 0.00 0.00 178.15 175.30 1n1e h GLU 289 N 0.00 0.94 0.01 2.19 3.07 -1.96 -0.72 114.58 118.11 1n1e h GLU 289 Ca 0.12 -0.31 -0.25 0.00 -0.50 0.00 0.00 59.36 58.42 1n1e h GLU 289 Cb 0.49 -0.08 0.02 0.00 -0.84 0.00 0.00 28.75 28.34 1n1e h GLU 289 CO -0.00 0.97 -0.99 0.93 -1.40 0.00 0.00 179.01 178.51 1n1e h GLU 290 N 0.85 0.65 -0.19 2.33 4.39 -1.79 -1.72 114.58 119.10 1n1e h GLU 290 Ca 0.15 -0.72 0.05 0.00 0.34 0.00 0.00 59.36 59.18 1n1e h GLU 290 Cb 0.59 0.21 -0.07 0.00 -0.10 0.00 0.00 28.75 29.37 1n1e h GLU 290 CO 0.04 1.30 -0.38 0.82 -1.16 0.00 0.00 179.01 179.63 1n1e h ILE 291 N 0.31 0.20 0.00 3.13 1.08 -1.25 -2.15 117.51 118.83 1n1e h ILE 291 Ca -0.13 0.00 -0.13 0.00 -0.39 0.00 0.00 64.86 64.22 1n1e h ILE 291 Cb 1.65 0.20 -0.02 0.00 -3.07 0.00 0.00 36.82 35.58 1n1e h ILE 291 CO 0.19 0.00 -0.61 1.56 -0.69 0.00 0.00 178.15 178.61 1n1e h GLN 292 N -0.42 0.00 -0.65 2.37 1.08 -1.20 -2.59 115.11 113.69 1n1e h GLN 292 Ca 0.10 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.28 1n1e h GLN 292 Cb 0.59 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.99 1n1e h GLN 292 CO -0.42 0.61 0.31 -0.09 -0.95 0.00 0.00 178.83 178.29 1n1e h ARG 293 N 0.00 0.94 -0.66 1.46 2.43 -1.09 -3.18 114.38 114.29 1n1e h ARG 293 Ca -0.01 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.02 1n1e h ARG 293 Cb 1.09 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.47 1n1e h ARG 293 CO 0.08 0.75 0.00 0.25 -1.51 0.00 0.00 179.97 179.54 1n1e n THR 294 N -4.47 1.13 -3.61 0.20 -2.24 -0.83 -4.95 114.28 99.51 1n1e n THR 294 Ca 0.05 -0.95 -0.37 0.00 -2.27 0.00 0.00 64.05 60.51 1n1e n THR 294 Cb 0.13 0.33 -0.06 0.00 -2.10 0.00 0.00 70.33 68.63 1n1e n THR 294 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1n1e s SER 295 N -0.95 6.62 -0.09 3.42 0.01 -1.00 -4.98 113.70 116.73 1n1e s SER 295 Ca 0.45 0.73 0.13 0.00 1.31 0.00 0.00 55.95 58.58 1n1e s SER 295 Cb 0.25 -2.19 0.41 0.00 0.21 0.00 0.00 66.02 64.71 1n1e s SER 295 CO 0.28 0.30 1.33 0.29 0.41 0.00 0.00 173.24 175.85 1n1e n LYS 296 N 2.23 2.90 -3.79 12.44 5.02 -1.26 -4.96 118.16 130.73 1n1e n LYS 296 Ca -0.15 -2.44 -0.12 0.00 -2.02 0.00 0.00 58.31 53.58 1n1e n LYS 296 Cb 0.53 -1.55 -0.09 0.00 -0.02 0.00 0.00 35.03 33.90 1n1e n LYS 296 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1n1e s ALA 297 N -1.91 -0.61 0.13 7.82 0.00 -1.26 -4.98 121.76 120.94 1n1e s ALA 297 Ca 0.32 0.08 -0.30 0.00 0.00 0.00 0.00 51.96 52.06 1n1e s ALA 297 Cb 0.23 0.16 -0.07 0.00 0.00 0.00 0.00 23.12 23.45 1n1e s ALA 297 CO 0.12 -0.30 1.13 0.08 0.00 0.00 0.00 175.76 176.80 1n1e s VAL 298 N -1.78 3.96 -0.50 0.00 1.01 -1.26 -5.00 120.40 116.84 1n1e s VAL 298 Ca -0.11 1.57 -0.01 0.00 0.00 0.00 0.00 61.98 63.43 1n1e s VAL 298 Cb -0.04 -4.00 0.13 0.00 0.00 0.00 0.00 36.38 32.47 1n1e s VAL 298 CO 0.01 0.21 0.28 0.00 0.00 0.00 0.00 175.10 175.60 1n1e s ALA 299 N 0.29 3.31 0.45 5.51 0.00 -1.26 -4.81 121.76 125.24 1n1e s ALA 299 Ca 0.53 -2.93 0.11 0.00 0.00 0.00 0.00 51.96 49.67 1n1e s ALA 299 Cb -0.29 -2.41 1.00 0.00 0.00 0.00 0.00 23.12 21.42 1n1e s ALA 299 CO 0.33 -1.94 2.07 0.93 0.00 0.00 0.00 175.76 177.15 1n1e h GLU 300 N 7.37 0.28 -0.45 0.00 4.39 -1.94 -2.25 114.58 121.98 1n1e h GLU 300 Ca -0.07 -0.02 0.07 0.00 0.34 0.00 0.00 59.36 59.68 1n1e h GLU 300 Cb 0.98 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.55 1n1e h GLU 300 CO 0.68 0.23 0.30 0.78 -1.16 0.00 0.00 179.01 179.84 1n1e h GLY 301 N 0.38 0.39 0.98 -3.84 0.00 -1.89 -1.30 103.07 97.78 1n1e h GLY 301 Ca 0.07 -0.12 -0.00 0.00 0.00 0.00 0.00 47.33 47.28 1n1e h GLY 301 CO -0.01 0.09 -0.07 -2.08 0.00 0.00 0.00 176.54 174.47 1n1e h VAL 302 N 0.30 0.86 0.00 4.60 2.07 -1.73 -2.06 116.25 120.29 1n1e h VAL 302 Ca 0.20 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.68 1n1e h VAL 302 Cb 0.40 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 1n1e h VAL 302 CO -0.04 0.00 -0.21 0.00 0.02 0.00 0.00 177.57 177.34 1n1e h ALA 303 N 0.70 0.86 0.00 1.67 0.00 -1.67 -3.23 119.26 117.59 1n1e h ALA 303 Ca -0.01 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.57 1n1e h ALA 303 Cb 0.15 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1n1e h ALA 303 CO 0.02 0.26 -0.63 1.15 0.00 0.00 0.00 179.25 180.05 1n1e h THR 304 N 0.00 1.32 -0.79 0.00 2.02 -1.09 -3.37 112.91 111.00 1n1e h THR 304 Ca -0.00 -2.27 0.03 0.00 0.77 0.00 0.00 66.41 64.93 1n1e h THR 304 Cb 1.16 2.27 -0.05 0.00 -1.74 0.00 0.00 68.15 69.80 1n1e h THR 304 CO 0.03 0.62 0.51 0.00 0.37 0.00 0.00 175.52 177.04 1n1e h ALA 305 N 1.37 1.03 0.39 6.16 0.00 -1.39 -0.74 119.26 126.08 1n1e h ALA 305 Ca -0.01 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1n1e h ALA 305 Cb 1.22 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1n1e h ALA 305 CO 0.08 0.33 -0.19 0.22 0.00 0.00 0.00 179.25 179.69 1n1e h ASP 306 N 0.99 -0.44 -0.10 0.00 3.58 -1.80 -2.51 116.42 116.15 1n1e h ASP 306 Ca 0.31 -0.10 0.03 0.00 0.42 0.00 0.00 57.03 57.68 1n1e h ASP 306 Cb -0.01 0.11 -0.00 0.00 1.72 0.00 0.00 39.33 41.15 1n1e h ASP 306 CO -0.10 -0.01 0.07 1.55 -2.88 0.00 0.00 179.24 177.87 1n1e h PRO 307 N -1.02 0.00 -0.19 0.28 0.13 -1.74 -2.00 132.00 127.45 1n1e h PRO 307 Ca -0.05 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1n1e h PRO 307 Cb 0.52 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.64 1n1e h PRO 307 CO 0.09 0.00 0.11 1.25 -0.23 0.00 0.00 178.00 179.22 1n1e h LEU 308 N 0.00 0.24 -0.57 1.56 5.85 -1.14 -0.71 115.31 120.54 1n1e h LEU 308 Ca 0.05 -0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.72 1n1e h LEU 308 Cb 0.19 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 1n1e h LEU 308 CO -0.00 0.24 0.36 -0.03 -0.34 0.00 0.00 178.44 178.66 1n1e h MET 309 N 0.22 0.69 -0.63 1.25 4.05 -0.91 -1.06 114.93 118.53 1n1e h MET 309 Ca 0.07 -0.04 -0.07 0.00 -0.28 0.00 0.00 59.70 59.38 1n1e h MET 309 Cb 0.05 -0.16 -0.03 0.00 -0.80 0.00 0.00 31.60 30.67 1n1e h MET 309 CO -0.01 0.46 0.13 0.00 0.23 0.00 0.00 176.91 177.72 1n1e h ARG 310 N 0.71 1.01 -0.55 0.39 3.08 -1.26 -0.79 114.38 116.98 1n1e h ARG 310 Ca 0.22 -0.24 -0.10 0.00 0.07 0.00 0.00 59.98 59.93 1n1e h ARG 310 Cb -0.01 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 29.88 1n1e h ARG 310 CO -0.08 0.91 -0.05 1.25 -1.07 0.00 0.00 179.97 180.94 1n1e h LEU 311 N 0.96 0.99 -0.37 3.04 5.85 -0.75 -1.79 115.31 123.23 1n1e h LEU 311 Ca 0.20 -0.33 -0.14 0.00 0.84 0.00 0.00 57.88 58.45 1n1e h LEU 311 Cb 0.37 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 1n1e h LEU 311 CO 0.01 1.08 -0.31 0.00 -0.34 0.00 0.00 178.44 178.88 1n1e h ALA 312 N 0.94 0.54 -0.21 1.25 0.00 -0.93 -1.92 119.26 118.94 1n1e h ALA 312 Ca 0.15 -0.42 0.03 0.00 0.00 0.00 0.00 54.91 54.67 1n1e h ALA 312 Cb 0.60 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1n1e h ALA 312 CO 0.04 0.58 0.05 -0.22 0.00 0.00 0.00 179.25 179.70 1n1e h LYS 313 N 0.67 0.13 -0.79 0.00 3.64 -1.11 0.20 116.57 119.32 1n1e h LYS 313 Ca 0.07 -0.01 0.15 0.00 -1.27 0.00 0.00 60.65 59.59 1n1e h LYS 313 Cb 0.89 -0.03 -0.10 0.00 -0.41 0.00 0.00 32.23 32.58 1n1e h LYS 313 CO 0.08 0.09 0.34 0.37 -2.27 0.00 0.00 179.45 178.06 1n1e h GLN 314 N 0.14 0.47 -0.05 1.90 4.15 -1.15 -2.35 115.11 118.21 1n1e h GLN 314 Ca 0.09 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.49 1n1e h GLN 314 Cb 0.08 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 27.67 1n1e h GLN 314 CO -0.12 0.31 0.00 1.28 -1.93 0.00 0.00 178.83 178.37 1n1e n LEU 315 N -4.98 2.19 -3.66 -2.39 4.77 -0.74 -4.96 117.00 107.23 1n1e n LEU 315 Ca 0.16 -0.75 -0.24 0.00 -0.03 0.00 0.00 56.01 55.14 1n1e n LEU 315 Cb 0.44 -0.02 0.07 0.00 -2.33 0.00 0.00 43.42 41.58 1n1e n LEU 315 CO 0.18 0.38 0.18 0.29 -1.33 0.00 0.00 177.39 177.09 1n1e n LYS 316 N 0.70 -7.04 -3.74 3.23 5.02 0.49 -4.99 118.16 111.84 1n1e n LYS 316 Ca 0.17 0.76 -0.37 0.00 -2.02 0.00 0.00 58.31 56.86 1n1e n LYS 316 Cb 0.46 -5.75 -0.11 0.00 -0.02 0.00 0.00 35.03 29.61 1n1e n LYS 316 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1n1e s VAL 317 N -3.34 4.79 -0.05 -0.18 1.01 0.06 -5.02 120.40 117.67 1n1e s VAL 317 Ca 0.50 -0.01 -0.29 0.00 0.00 0.00 0.00 61.98 62.17 1n1e s VAL 317 Cb -0.23 -3.24 -0.02 0.00 0.00 0.00 0.00 36.38 32.88 1n1e s VAL 317 CO 0.76 0.33 0.97 -0.54 0.00 0.00 0.00 175.10 176.62 1n1e s LYS 318 N 1.42 4.49 -0.47 2.72 3.01 -1.26 -4.53 119.74 125.12 1n1e s LYS 318 Ca 0.06 1.36 0.06 0.00 -1.01 0.00 0.00 55.97 56.44 1n1e s LYS 318 Cb -0.15 -3.49 0.21 0.00 -1.01 0.00 0.00 37.83 33.38 1n1e s LYS 318 CO 0.06 -0.15 0.47 -1.33 0.51 0.00 0.00 175.35 174.91 1n1e n MET 319 N 4.36 0.88 -0.23 1.68 2.81 -1.26 -4.89 117.12 120.46 1n1e n MET 319 Ca 0.07 -3.56 -0.00 0.00 -1.81 0.00 0.00 57.70 52.40 1n1e n MET 319 Cb 0.50 -1.67 0.11 0.00 -0.71 0.00 0.00 33.22 31.45 1n1e n MET 319 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 1n1e h PRO 320 N 4.86 0.60 0.03 0.03 0.13 -1.98 0.62 132.00 136.30 1n1e h PRO 320 Ca 0.18 -0.04 -0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1n1e h PRO 320 Cb 0.85 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 31.84 1n1e h PRO 320 CO 0.51 0.40 -0.01 -0.07 -0.23 0.00 0.00 178.00 178.59 1n1e h LEU 321 N 0.62 -0.03 -1.69 1.56 3.38 -1.95 -2.62 115.31 114.58 1n1e h LEU 321 Ca 0.32 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1n1e h LEU 321 Cb 0.28 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1n1e h LEU 321 CO -0.23 0.27 -0.03 0.00 0.09 0.00 0.00 178.44 178.54 1n1e h HIS 323 N 0.15 0.23 -0.14 0.00 -0.00 -0.81 -0.91 115.15 113.67 1n1e h HIS 323 Ca 0.04 -0.04 -0.06 0.00 -0.00 0.00 0.00 60.37 60.31 1n1e h HIS 323 Cb 0.16 -0.06 -0.01 0.00 -0.00 0.00 0.00 27.41 27.50 1n1e h HIS 323 CO 0.00 0.44 -0.19 1.96 -0.00 0.00 0.00 177.93 180.15 1n1e h GLN 324 N -0.06 0.23 -0.24 5.26 1.08 -1.05 -1.41 115.11 118.93 1n1e h GLN 324 Ca 0.03 -0.06 -0.11 0.00 -1.45 0.00 0.00 58.65 57.06 1n1e h GLN 324 Cb 0.35 -0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 27.75 1n1e h GLN 324 CO 0.01 0.42 -0.28 0.82 -0.95 0.00 0.00 178.83 178.85 1n1e h ILE 325 N 0.21 1.32 -0.68 2.54 2.04 -1.15 -1.70 117.51 120.09 1n1e h ILE 325 Ca 0.04 -1.46 0.09 0.00 1.00 0.00 0.00 64.86 64.53 1n1e h ILE 325 Cb 0.46 1.70 -0.07 0.00 -0.74 0.00 0.00 36.82 38.18 1n1e h ILE 325 CO 0.03 0.46 0.33 0.22 0.00 0.00 0.00 178.15 179.19 1n1e h TYR 326 N 0.32 0.60 -0.67 1.37 3.20 -0.93 0.16 116.97 121.01 1n1e h TYR 326 Ca 0.03 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.94 1n1e h TYR 326 Cb 0.84 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.92 1n1e h TYR 326 CO 0.08 0.22 0.44 0.93 -1.64 0.00 0.00 178.16 178.19 1n1e h GLU 327 N 0.58 0.88 -0.05 1.82 4.39 -1.01 0.53 114.58 121.71 1n1e h GLU 327 Ca 0.33 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.98 1n1e h GLU 327 Cb 0.34 -0.20 -0.00 0.00 -0.10 0.00 0.00 28.75 28.79 1n1e h GLU 327 CO -0.26 0.58 0.02 0.82 -1.16 0.00 0.00 179.01 179.01 1n1e h ILE 328 N 0.90 1.17 -0.22 3.13 2.04 -0.80 -0.74 117.51 123.00 1n1e h ILE 328 Ca 0.24 -0.50 -0.12 0.00 1.00 0.00 0.00 64.86 65.49 1n1e h ILE 328 Cb -0.10 1.41 -0.00 0.00 -0.74 0.00 0.00 36.82 37.38 1n1e h ILE 328 CO -0.05 0.14 -0.33 0.58 0.00 0.00 0.00 178.15 178.49 1n1e h VAL 329 N -0.11 1.32 0.00 1.67 2.07 -0.44 -3.14 116.25 117.62 1n1e h VAL 329 Ca 0.02 -1.54 -0.10 0.00 0.82 0.00 0.00 66.70 65.89 1n1e h VAL 329 Cb 0.21 1.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.75 1n1e h VAL 329 CO -0.00 0.48 -1.72 -1.22 0.02 0.00 0.00 177.57 175.13 1n1e n TYR 330 N -4.29 0.00 -0.09 1.57 4.02 0.15 -4.56 117.16 113.96 1n1e n TYR 330 Ca -0.05 0.00 0.04 0.00 -0.01 0.00 0.00 57.90 57.88 1n1e n TYR 330 Cb 0.49 -0.45 0.11 0.00 -0.02 0.00 0.00 39.34 39.48 1n1e n TYR 330 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1n1e n LYS 331 N -2.19 2.62 -2.08 -0.72 4.76 -0.36 -4.99 118.16 115.20 1n1e n LYS 331 Ca -0.11 -1.84 -0.19 0.00 -2.87 0.00 0.00 58.31 53.31 1n1e n LYS 331 Cb 0.60 -1.21 -0.04 0.00 -1.84 0.00 0.00 35.03 32.55 1n1e n LYS 331 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1n1e n LYS 332 N 0.32 -1.66 -1.87 1.97 4.81 -0.78 -4.91 118.16 116.04 1n1e n LYS 332 Ca 0.09 0.99 -0.42 0.00 -0.87 0.00 0.00 58.31 58.10 1n1e n LYS 332 Cb 0.37 -5.53 -0.03 0.00 0.02 0.00 0.00 35.03 29.86 1n1e n LYS 332 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1n1e s LYS 333 N -4.49 4.19 0.05 1.64 2.20 -0.73 -4.92 119.74 117.69 1n1e s LYS 333 Ca 0.00 2.43 -0.34 0.00 -0.36 0.00 0.00 55.97 57.70 1n1e s LYS 333 Cb 0.00 -3.22 -0.13 0.00 -1.51 0.00 0.00 37.83 32.97 1n1e s LYS 333 CO 0.00 -0.67 1.68 -1.71 -0.36 0.00 0.00 175.35 174.29 1n1e n ASN 334 N 4.28 3.13 -0.07 1.43 5.15 -1.26 -4.35 115.26 123.57 1n1e n ASN 334 Ca 0.15 1.04 0.17 0.00 -0.60 0.00 0.00 54.58 55.34 1n1e n ASN 334 Cb 0.38 -1.39 0.59 0.00 -0.53 0.00 0.00 39.78 38.83 1n1e n ASN 334 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 1n1e h PRO 335 N 7.11 0.22 -0.24 1.20 0.11 -1.91 -1.11 132.00 137.37 1n1e h PRO 335 Ca -0.46 -0.01 -0.15 0.00 0.11 0.00 0.00 66.00 65.48 1n1e h PRO 335 Cb 1.27 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1n1e h PRO 335 CO 0.91 0.14 -0.47 0.00 -0.21 0.00 0.00 178.00 178.37 1n1e h ARG 336 N 0.22 0.65 -0.70 1.05 3.08 -1.97 -1.14 114.38 115.57 1n1e h ARG 336 Ca 0.30 -0.37 -0.07 0.00 0.07 0.00 0.00 59.98 59.91 1n1e h ARG 336 Cb 0.86 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.91 1n1e h ARG 336 CO -0.06 0.98 0.16 -0.44 -1.07 0.00 0.00 179.97 179.54 1n1e h ASP 337 N 0.51 1.07 -0.54 7.04 3.45 -1.62 -1.19 116.42 125.14 1n1e h ASP 337 Ca 0.03 -0.24 -0.00 0.00 0.43 0.00 0.00 57.03 57.25 1n1e h ASP 337 Cb 1.02 -0.28 -0.03 0.00 -0.56 0.00 0.00 39.33 39.48 1n1e h ASP 337 CO 0.10 1.03 0.33 0.00 -1.57 0.00 0.00 179.24 179.13 1n1e h ALA 338 N 1.08 0.69 -0.16 3.45 0.00 -1.13 -0.97 119.26 122.23 1n1e h ALA 338 Ca 0.22 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1n1e h ALA 338 Cb 0.38 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1n1e h ALA 338 CO 0.00 0.17 0.10 1.25 0.00 0.00 0.00 179.25 180.77 1n1e h LEU 339 N 0.73 0.19 -0.44 0.00 6.46 -1.07 -1.10 115.31 120.07 1n1e h LEU 339 Ca 0.19 -0.04 0.05 0.00 -0.12 0.00 0.00 57.88 57.97 1n1e h LEU 339 Cb -0.02 -0.05 -0.05 0.00 -0.73 0.00 0.00 40.66 39.81 1n1e h LEU 339 CO -0.04 0.17 0.17 0.00 -0.62 0.00 0.00 178.44 178.12 1n1e h ALA 340 N 1.03 0.53 -0.32 1.25 0.00 -0.91 -1.70 119.26 119.13 1n1e h ALA 340 Ca 0.06 0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 1n1e h ALA 340 Cb 0.01 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1n1e h ALA 340 CO -0.01 -0.22 -0.23 -0.44 0.00 0.00 0.00 179.25 178.35 1n1e h ASP 341 N 0.34 0.63 -0.66 0.00 3.45 -1.06 -2.25 116.42 116.86 1n1e h ASP 341 Ca 0.20 -0.22 0.03 0.00 0.43 0.00 0.00 57.03 57.47 1n1e h ASP 341 Cb 0.19 -0.17 -0.04 0.00 -0.56 0.00 0.00 39.33 38.74 1n1e h ASP 341 CO -0.20 0.85 0.42 0.25 -1.57 0.00 0.00 179.24 178.99 1n1e h LEU 342 N 0.55 0.69 -1.55 1.55 6.46 -0.60 -2.91 115.31 119.50 1n1e h LEU 342 Ca 0.08 -0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.84 1n1e h LEU 342 Cb 0.69 -0.15 0.00 0.00 -0.73 0.00 0.00 40.66 40.47 1n1e h LEU 342 CO 0.05 0.48 0.00 0.18 -0.62 0.00 0.00 178.44 178.53 1n1e n LEU 343 N -4.68 2.28 -0.08 2.25 4.77 -0.70 -4.17 117.00 116.67 1n1e n LEU 343 Ca 0.07 -1.07 0.08 0.00 -0.03 0.00 0.00 56.01 55.06 1n1e n LEU 343 Cb 0.08 -0.23 0.45 0.00 -2.33 0.00 0.00 43.42 41.39 1n1e n LEU 343 CO 0.33 0.53 0.80 -1.54 -1.33 0.00 0.00 177.39 176.18 1n1e n SER 344 N 0.73 0.23 0.18 -1.43 3.41 -0.87 -3.94 113.62 111.93 1n1e n SER 344 Ca 0.16 -1.54 0.13 0.00 -0.26 0.00 0.00 58.87 57.36 1n1e n SER 344 Cb 0.39 -0.02 0.32 0.00 -0.26 0.00 0.00 64.21 64.64 1n1e n SER 344 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n1e n GLY 346 N 0.99 -1.88 3.76 0.00 0.00 -1.25 -4.90 105.19 101.91 1n1e n GLY 346 Ca 0.04 -1.32 -0.40 0.00 0.00 0.00 0.00 46.02 44.34 1n1e n GLY 346 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n1e s LEU 347 N 0.00 4.54 0.20 0.99 1.43 -1.26 -5.03 118.68 119.55 1n1e s LEU 347 Ca 0.00 2.24 -0.08 0.00 -1.03 0.00 0.00 54.13 55.26 1n1e s LEU 347 Cb 0.00 -3.65 -0.02 0.00 0.03 0.00 0.00 46.19 42.55 1n1e s LEU 347 CO 0.00 -0.14 0.31 0.00 0.23 0.00 0.00 176.35 176.75 1n1e s GLN 348 N -1.47 1.30 0.43 1.70 -2.07 -1.26 -5.15 119.66 113.14 1n1e s GLN 348 Ca 0.45 -1.33 -0.23 0.00 -1.82 0.00 0.00 55.36 52.42 1n1e s GLN 348 Cb -0.31 0.38 -0.08 0.00 -1.09 0.00 0.00 33.01 31.91 1n1e s GLN 348 CO 0.40 -0.49 1.12 -0.51 -1.32 0.00 0.00 175.29 174.49 1n1e s ASP 349 N -3.04 6.42 0.25 12.60 1.11 -1.26 -4.94 116.67 127.80 1n1e s ASP 349 Ca 0.25 2.21 -0.04 0.00 0.18 0.00 0.00 52.55 55.15 1n1e s ASP 349 Cb 0.03 -2.60 0.48 0.00 1.07 0.00 0.00 42.92 41.90 1n1e s ASP 349 CO 0.06 -0.74 1.69 -0.08 1.18 0.00 0.00 175.17 177.28 1n1e h GLU 350 N 2.26 0.28 -0.02 8.23 4.81 -2.05 -3.45 114.58 124.64 1n1e h GLU 350 Ca -0.49 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 58.72 1n1e h GLU 350 Cb 1.23 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.55 1n1e h GLU 350 CO 0.61 0.18 -0.01 0.41 -0.73 0.00 0.00 179.01 179.48 1n1e n GLY 351 N -1.35 0.46 3.79 1.92 0.00 -1.26 -5.02 105.19 103.72 1n1e n GLY 351 Ca 0.15 -0.52 -0.36 0.00 0.00 0.00 0.00 46.02 45.28 1n1e n GLY 351 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n1e s LEU 352 N -0.08 4.22 0.55 0.99 1.02 -1.26 -5.05 118.68 119.08 1n1e s LEU 352 Ca 0.00 1.84 -0.18 0.00 0.02 0.00 0.00 54.13 55.80 1n1e s LEU 352 Cb 0.00 -4.15 -0.05 0.00 0.02 0.00 0.00 46.19 42.00 1n1e s LEU 352 CO 0.00 -0.19 1.09 -2.16 0.02 0.00 0.00 176.35 175.10 1n1e s PRO 353 N -2.36 3.39 0.48 1.29 0.04 -1.26 -5.01 135.00 131.56 1n1e s PRO 353 Ca 0.54 1.42 -0.23 0.00 0.04 0.00 0.00 61.00 62.77 1n1e s PRO 353 Cb -0.17 -2.03 -0.07 0.00 0.04 0.00 0.00 34.50 32.27 1n1e s PRO 353 CO 0.22 -0.78 1.27 -1.25 0.04 0.00 0.00 177.00 176.49 1n1e s PRO 354 N -3.56 3.60 0.23 0.56 0.04 -1.26 -4.93 135.00 129.68 1n1e s PRO 354 Ca 0.68 2.03 0.18 0.00 0.04 0.00 0.00 61.00 63.93 1n1e s PRO 354 Cb -0.20 -2.44 0.04 0.00 0.04 0.00 0.00 34.50 31.94 1n1e s PRO 354 CO 0.29 -0.76 1.21 -0.07 0.04 0.00 0.00 177.00 177.72 1n1e h LEU 355 N 2.00 0.00 -8.72 -3.56 3.38 -2.07 -3.48 115.31 102.86 1n1e h LEU 355 Ca -0.50 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.17 1n1e h LEU 355 Cb 1.26 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.87 1n1e h LEU 355 CO 0.60 0.34 -0.65 -0.36 0.09 0.00 0.00 178.44 178.46 1n1e s PHE 356 N -3.07 1.30 -2.27 1.13 0.08 -1.26 -5.37 117.98 108.52 1n1e s PHE 356 Ca 0.02 -1.07 0.18 0.00 0.12 0.00 0.00 56.93 56.17 1n1e s PHE 356 Cb 0.08 -0.74 0.14 0.00 -0.57 0.00 0.00 43.02 41.93 1n1e s PHE 356 CO 0.76 -0.26 1.07 1.63 -0.10 0.00 0.00 175.22 178.33