#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i6y s ILE 3 N 0.00 -0.00 -0.06 2.46 2.07 -1.26 -1.95 121.20 122.46 3i6y s ILE 3 Ca 0.00 0.01 -0.01 0.00 -1.41 0.00 0.00 60.65 59.24 3i6y s ILE 3 Cb 0.00 -0.64 0.03 0.00 0.13 0.00 0.00 42.46 41.97 3i6y s ILE 3 CO 0.00 0.00 0.00 -0.70 -1.91 0.00 0.00 174.94 172.33 3i6y s GLU 4 N 0.33 0.55 -0.11 3.50 2.12 -0.16 -5.01 118.70 119.92 3i6y s GLU 4 Ca -0.01 0.11 -0.29 0.00 0.36 0.00 0.00 54.97 55.14 3i6y s GLU 4 Cb -0.04 -0.88 -0.03 0.00 0.26 0.00 0.00 34.13 33.45 3i6y s GLU 4 CO -0.00 -0.27 1.36 1.21 -0.54 0.00 0.00 175.26 177.01 3i6y s ASN 5 N 1.81 6.88 -0.14 -1.70 2.47 -1.26 -1.65 114.94 121.34 3i6y s ASN 5 Ca 0.02 1.86 0.12 0.00 0.42 0.00 0.00 52.86 55.28 3i6y s ASN 5 Cb -0.13 -2.54 -0.24 0.00 -1.45 0.00 0.00 41.25 36.90 3i6y s ASN 5 CO -0.04 -0.78 0.28 0.18 -3.72 0.00 0.00 177.10 173.02 3i6y n LEU 6 N 6.47 0.91 -3.56 3.21 4.77 0.94 -4.99 117.00 124.76 3i6y n LEU 6 Ca 0.14 0.15 -0.13 0.00 -0.03 0.00 0.00 56.01 56.15 3i6y n LEU 6 Cb 0.44 0.06 -0.04 0.00 -2.33 0.00 0.00 43.42 41.55 3i6y n LEU 6 CO 0.57 0.54 0.27 -0.94 -1.33 0.00 0.00 177.39 176.51 3i6y s SER 7 N -5.97 -0.41 -0.28 -1.43 1.04 -1.19 -4.96 113.70 100.50 3i6y s SER 7 Ca -0.12 0.00 -0.02 0.00 0.48 0.00 0.00 55.95 56.29 3i6y s SER 7 Cb 0.07 0.51 0.17 0.00 0.10 0.00 0.00 66.02 66.87 3i6y s SER 7 CO 0.80 -0.81 0.53 -0.55 0.98 0.00 0.00 173.24 174.18 3i6y s SER 8 N -2.37 -0.85 -0.13 7.02 0.15 -1.26 -2.01 113.70 114.26 3i6y s SER 8 Ca -0.02 0.67 0.02 0.00 0.70 0.00 0.00 55.95 57.32 3i6y s SER 8 Cb -0.00 1.82 0.02 0.00 -1.71 0.00 0.00 66.02 66.15 3i6y s SER 8 CO -0.07 -0.27 -0.17 0.20 1.20 0.00 0.00 173.24 174.13 3i6y s ASN 9 N 2.76 2.69 0.30 5.45 0.01 0.60 -4.99 114.94 121.75 3i6y s ASN 9 Ca 0.18 -0.49 -0.29 0.00 -0.71 0.00 0.00 52.86 51.54 3i6y s ASN 9 Cb -0.15 -1.22 -0.10 0.00 0.41 0.00 0.00 41.25 40.19 3i6y s ASN 9 CO -0.19 0.02 1.32 -0.75 -1.51 0.00 0.00 177.10 175.98 3i6y s LYS 10 N 1.06 4.36 -0.22 -0.60 2.20 -1.26 -0.95 119.74 124.33 3i6y s LYS 10 Ca -0.04 2.19 -0.04 0.00 -0.36 0.00 0.00 55.97 57.72 3i6y s LYS 10 Cb -0.15 -3.10 0.12 0.00 -1.51 0.00 0.00 37.83 33.19 3i6y s LYS 10 CO -0.04 -0.22 0.40 0.45 -0.36 0.00 0.00 175.35 175.58 3i6y s SER 11 N -0.25 -0.04 -1.53 1.43 0.15 -0.12 -4.86 113.70 108.48 3i6y s SER 11 Ca 0.51 0.59 -0.07 0.00 0.70 0.00 0.00 55.95 57.69 3i6y s SER 11 Cb -0.39 1.25 0.06 0.00 -1.71 0.00 0.00 66.02 65.23 3i6y s SER 11 CO 0.49 -0.27 0.52 0.49 1.20 0.00 0.00 173.24 175.67 3i6y n PHE 12 N 5.38 -1.66 -0.54 3.44 3.72 -1.26 -0.34 117.46 126.20 3i6y n PHE 12 Ca -0.06 0.76 0.00 0.00 -0.05 0.00 0.00 57.45 58.10 3i6y n PHE 12 Cb 0.50 -3.38 0.00 0.00 -0.94 0.00 0.00 39.48 35.66 3i6y n PHE 12 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3i6y n GLY 13 N -1.83 1.61 0.00 1.37 0.00 -1.26 -4.66 105.19 100.42 3i6y n GLY 13 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 3i6y n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i6y n GLY 14 N -2.00 5.82 2.81 -0.02 0.00 0.54 -4.26 105.19 108.08 3i6y n GLY 14 Ca 0.00 -1.93 -0.17 0.00 0.00 0.00 0.00 46.02 43.93 3i6y n GLY 14 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3i6y s TRP 15 N 1.64 0.27 -0.22 1.61 0.52 -0.25 -0.94 118.94 121.56 3i6y s TRP 15 Ca 0.00 0.02 -0.13 0.00 0.02 0.00 0.00 56.10 56.01 3i6y s TRP 15 Cb 0.00 -0.38 -0.04 0.00 -1.15 0.00 0.00 33.47 31.89 3i6y s TRP 15 CO 0.00 -0.12 0.29 -1.58 0.02 0.00 0.00 176.95 175.56 3i6y s HIS 16 N 1.04 3.34 -0.02 -1.98 5.65 -0.12 -0.71 115.29 122.48 3i6y s HIS 16 Ca -0.10 0.43 0.02 0.00 0.25 0.00 0.00 55.06 55.66 3i6y s HIS 16 Cb -0.13 -2.42 0.00 0.00 -1.18 0.00 0.00 32.58 28.85 3i6y s HIS 16 CO -0.02 0.00 -0.08 0.15 -0.65 0.00 0.00 174.74 174.14 3i6y s LYS 17 N 1.27 0.80 -0.04 2.88 1.02 -0.11 -0.29 119.74 125.26 3i6y s LYS 17 Ca 0.14 -0.28 -0.03 0.00 0.02 0.00 0.00 55.97 55.82 3i6y s LYS 17 Cb -0.14 -0.76 -0.04 0.00 -0.52 0.00 0.00 37.83 36.37 3i6y s LYS 17 CO 0.07 0.12 0.11 -0.65 -0.92 0.00 0.00 175.35 174.08 3i6y s GLN 18 N 0.08 3.24 0.07 1.68 -0.21 -0.85 -0.59 119.66 123.08 3i6y s GLN 18 Ca -0.01 -0.35 0.04 0.00 0.02 0.00 0.00 55.36 55.06 3i6y s GLN 18 Cb -0.06 -2.99 -0.03 0.00 1.00 0.00 0.00 33.01 30.93 3i6y s GLN 18 CO 0.00 0.69 -0.12 0.71 -2.12 0.00 0.00 175.29 174.45 3i6y s TYR 19 N -1.16 1.08 0.23 0.91 2.02 0.46 -0.04 117.35 120.84 3i6y s TYR 19 Ca 0.21 -0.51 0.10 0.00 -0.37 0.00 0.00 57.07 56.50 3i6y s TYR 19 Cb -0.12 -0.60 -0.04 0.00 -0.40 0.00 0.00 41.96 40.79 3i6y s TYR 19 CO 0.12 0.02 -0.12 0.45 -1.57 0.00 0.00 175.55 174.44 3i6y s SER 20 N -1.89 4.01 0.05 2.29 0.15 -0.66 -1.83 113.70 115.83 3i6y s SER 20 Ca -0.02 -0.77 -0.27 0.00 0.70 0.00 0.00 55.95 55.59 3i6y s SER 20 Cb -0.08 -0.56 0.08 0.00 -1.71 0.00 0.00 66.02 63.74 3i6y s SER 20 CO 0.01 0.06 0.69 -1.38 1.20 0.00 0.00 173.24 173.83 3i6y s HIS 21 N -2.09 -0.54 -0.42 3.44 -0.00 -1.26 -0.98 115.29 113.43 3i6y s HIS 21 Ca 0.27 0.60 -0.28 0.00 -0.00 0.00 0.00 55.06 55.65 3i6y s HIS 21 Cb -0.07 0.50 0.02 0.00 -0.00 0.00 0.00 32.58 33.04 3i6y s HIS 21 CO 0.16 -0.69 1.08 0.08 -0.00 0.00 0.00 174.74 175.36 3i6y s VAL 22 N -2.64 4.35 0.07 -5.38 1.01 -0.82 -4.29 120.40 112.71 3i6y s VAL 22 Ca -0.03 1.31 -0.29 0.00 0.00 0.00 0.00 61.98 62.97 3i6y s VAL 22 Cb -0.01 -4.51 -0.05 0.00 0.00 0.00 0.00 36.38 31.82 3i6y s VAL 22 CO -0.04 -0.80 0.94 -0.55 0.00 0.00 0.00 175.10 174.65 3i6y s SER 23 N 2.16 7.43 0.11 3.32 0.15 0.24 -4.93 113.70 122.18 3i6y s SER 23 Ca 0.45 1.71 -0.08 0.00 0.70 0.00 0.00 55.95 58.73 3i6y s SER 23 Cb -0.09 -2.57 -0.15 0.00 -1.71 0.00 0.00 66.02 61.50 3i6y s SER 23 CO 0.25 -0.11 1.26 -0.55 1.20 0.00 0.00 173.24 175.30 3i6y h ASN 24 N 5.93 0.69 0.81 5.45 7.08 -1.95 -0.82 115.58 132.77 3i6y h ASN 24 Ca -0.42 -0.55 -0.20 0.00 -3.08 0.00 0.00 56.30 52.05 3i6y h ASN 24 Cb 1.21 -0.21 -0.02 0.00 -2.08 0.00 0.00 38.32 37.22 3i6y h ASN 24 CO 0.73 1.35 -0.92 0.71 -2.08 0.00 0.00 177.43 177.22 3i6y h THR 25 N 0.31 1.60 0.00 6.14 1.35 -1.95 -3.29 112.91 117.07 3i6y h THR 25 Ca -0.10 -2.98 0.00 0.00 -0.55 0.00 0.00 66.41 62.79 3i6y h THR 25 Cb 1.61 2.64 0.00 0.00 -1.73 0.00 0.00 68.15 70.67 3i6y h THR 25 CO 0.18 0.86 -1.26 0.18 -0.25 0.00 0.00 175.52 175.23 3i6y n LEU 26 N -3.52 0.57 -3.68 3.87 4.77 -1.25 -4.66 117.00 113.11 3i6y n LEU 26 Ca -0.02 -0.14 -0.27 0.00 -0.03 0.00 0.00 56.01 55.56 3i6y n LEU 26 Cb 0.85 -0.05 0.03 0.00 -2.33 0.00 0.00 43.42 41.93 3i6y n LEU 26 CO 0.47 0.09 -0.09 0.59 -1.33 0.00 0.00 177.39 177.12 3i6y n ASN 27 N -1.92 -3.71 -3.66 -1.43 3.02 -0.32 -4.33 115.26 102.91 3i6y n ASN 27 Ca 0.01 -0.94 0.03 0.00 -0.03 0.00 0.00 54.58 53.65 3i6y n ASN 27 Cb 0.44 -3.68 0.00 0.00 -0.61 0.00 0.00 39.78 35.94 3i6y n ASN 27 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i6y s ALA 29 N -2.18 0.21 -0.24 0.00 0.00 -1.26 -0.59 121.76 117.70 3i6y s ALA 29 Ca 0.18 -0.63 -0.26 0.00 0.00 0.00 0.00 51.96 51.25 3i6y s ALA 29 Cb 0.05 -3.02 0.07 0.00 0.00 0.00 0.00 23.12 20.22 3i6y s ALA 29 CO -0.04 -3.65 0.74 1.03 0.00 0.00 0.00 175.76 173.84 3i6y s ARG 31 N -5.05 0.84 0.01 0.00 0.52 -1.26 -4.34 118.95 109.67 3i6y s ARG 31 Ca 0.69 0.86 -0.12 0.00 -0.52 0.00 0.00 55.73 56.63 3i6y s ARG 31 Cb -0.16 0.41 0.01 0.00 0.52 0.00 0.00 34.95 35.74 3i6y s ARG 31 CO 0.58 -0.13 0.26 -0.59 0.02 0.00 0.00 175.30 175.44 3i6y s PHE 32 N 0.13 -0.08 0.12 -0.53 -0.12 -0.76 -0.95 117.98 115.79 3i6y s PHE 32 Ca -0.01 0.02 0.07 0.00 -0.05 0.00 0.00 56.93 56.95 3i6y s PHE 32 Cb -0.04 0.05 -0.04 0.00 -0.63 0.00 0.00 43.02 42.36 3i6y s PHE 32 CO 0.02 -0.41 -0.07 0.00 -0.05 0.00 0.00 175.22 174.71 3i6y s ALA 33 N -1.90 3.06 0.02 1.99 0.00 -0.38 -0.41 121.76 124.14 3i6y s ALA 33 Ca -0.10 -1.25 0.03 0.00 0.00 0.00 0.00 51.96 50.64 3i6y s ALA 33 Cb -0.04 -0.96 -0.01 0.00 0.00 0.00 0.00 23.12 22.11 3i6y s ALA 33 CO 0.00 0.62 -0.09 -1.50 0.00 0.00 0.00 175.76 174.80 3i6y s ILE 34 N -1.33 0.68 -0.22 0.00 2.07 0.24 -0.38 121.20 122.26 3i6y s ILE 34 Ca 0.23 -0.64 -0.02 0.00 -1.41 0.00 0.00 60.65 58.81 3i6y s ILE 34 Cb -0.11 -0.63 0.01 0.00 0.13 0.00 0.00 42.46 41.87 3i6y s ILE 34 CO 0.15 0.00 -0.08 -0.47 -1.91 0.00 0.00 174.94 172.64 3i6y s TYR 35 N -0.60 2.96 -0.23 3.50 5.04 0.11 -0.93 117.35 127.21 3i6y s TYR 35 Ca -0.00 -1.30 -0.10 0.00 -2.44 0.00 0.00 57.07 53.23 3i6y s TYR 35 Cb -0.06 -2.05 -0.05 0.00 0.35 0.00 0.00 41.96 40.15 3i6y s TYR 35 CO 0.00 -0.67 0.14 -0.51 -1.34 0.00 0.00 175.55 173.18 3i6y s LEU 36 N 1.39 4.11 0.88 6.97 1.43 0.11 -1.36 118.68 132.20 3i6y s LEU 36 Ca 0.04 0.13 -0.12 0.00 -1.03 0.00 0.00 54.13 53.15 3i6y s LEU 36 Cb -0.15 -2.09 0.12 0.00 0.03 0.00 0.00 46.19 44.10 3i6y s LEU 36 CO -0.06 0.10 1.14 -2.16 0.23 0.00 0.00 176.35 175.60 3i6y s PRO 37 N 0.83 1.39 0.40 1.29 0.04 -1.26 -1.09 135.00 136.59 3i6y s PRO 37 Ca 0.07 0.32 0.15 0.00 0.04 0.00 0.00 61.00 61.58 3i6y s PRO 37 Cb -0.13 -1.87 1.00 0.00 0.04 0.00 0.00 34.50 33.55 3i6y s PRO 37 CO 0.02 -2.03 1.86 -1.35 0.04 0.00 0.00 177.00 175.54 3i6y h PRO 38 N -1.38 0.48 -0.66 0.56 0.11 -1.81 -1.55 132.00 127.75 3i6y h PRO 38 Ca -0.49 -0.03 0.13 0.00 0.11 0.00 0.00 66.00 65.72 3i6y h PRO 38 Cb 1.32 -0.11 -0.04 0.00 0.11 0.00 0.00 31.00 32.29 3i6y h PRO 38 CO 0.62 0.32 0.45 1.96 -0.21 0.00 0.00 178.00 181.13 3i6y h GLN 39 N 0.49 0.32 0.00 1.05 7.50 -1.91 -0.73 115.11 121.83 3i6y h GLN 39 Ca 0.47 -0.02 0.00 0.00 0.50 0.00 0.00 58.65 59.60 3i6y h GLN 39 Cb 1.03 -0.07 0.00 0.00 0.05 0.00 0.00 27.48 28.49 3i6y h GLN 39 CO -0.19 0.21 0.00 0.00 -1.50 0.00 0.00 178.83 177.35 3i6y h ALA 40 N 1.68 1.00 -0.01 3.87 0.00 -1.50 -1.82 119.26 122.48 3i6y h ALA 40 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3i6y h ALA 40 Cb 0.78 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.57 3i6y h ALA 40 CO -0.08 0.00 -0.14 -1.13 0.00 0.00 0.00 179.25 177.90 3i6y n SER 41 N -2.54 1.34 -0.00 0.00 3.41 -0.28 -4.26 113.62 111.29 3i6y n SER 41 Ca -0.00 -1.22 0.09 0.00 -0.26 0.00 0.00 58.87 57.48 3i6y n SER 41 Cb 0.15 0.08 -0.12 0.00 -0.26 0.00 0.00 64.21 64.06 3i6y n SER 41 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3i6y n THR 42 N -0.19 0.00 0.00 6.66 -2.24 -0.69 -4.97 114.28 112.86 3i6y n THR 42 Ca 0.15 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 3i6y n THR 42 Cb 0.36 0.73 0.00 0.00 -2.10 0.00 0.00 70.33 69.32 3i6y n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i6y n GLY 43 N 1.43 2.12 3.76 3.38 0.00 -1.25 -5.10 105.19 109.53 3i6y n GLY 43 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 3i6y n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i6y s ALA 44 N -2.30 2.68 -0.04 4.61 0.00 -1.22 -5.04 121.76 120.43 3i6y s ALA 44 Ca 0.00 1.02 -0.10 0.00 0.00 0.00 0.00 51.96 52.88 3i6y s ALA 44 Cb 0.00 -3.44 -0.05 0.00 0.00 0.00 0.00 23.12 19.63 3i6y s ALA 44 CO 0.00 -1.05 0.27 0.15 0.00 0.00 0.00 175.76 175.13 3i6y s LYS 45 N -3.16 3.65 0.17 0.00 1.02 -1.26 -4.49 119.74 115.67 3i6y s LYS 45 Ca 0.74 0.08 0.11 0.00 0.02 0.00 0.00 55.97 56.91 3i6y s LYS 45 Cb -0.31 -3.17 -0.04 0.00 -0.52 0.00 0.00 37.83 33.80 3i6y s LYS 45 CO 0.34 0.71 -0.23 0.14 -0.92 0.00 0.00 175.35 175.39 3i6y s VAL 46 N -1.12 2.21 0.80 3.17 -7.23 -0.84 -4.70 120.40 112.69 3i6y s VAL 46 Ca 0.22 -1.94 -0.12 0.00 -1.81 0.00 0.00 61.98 58.33 3i6y s VAL 46 Cb -0.14 -2.02 0.07 0.00 0.56 0.00 0.00 36.38 34.85 3i6y s VAL 46 CO 0.10 -0.11 1.12 -2.16 -0.31 0.00 0.00 175.10 173.75 3i6y s PRO 47 N -2.53 2.07 -0.09 4.82 0.04 -1.26 -1.21 135.00 136.83 3i6y s PRO 47 Ca 0.18 0.40 0.04 0.00 0.04 0.00 0.00 61.00 61.66 3i6y s PRO 47 Cb -0.08 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.53 3i6y s PRO 47 CO 0.08 -1.58 -0.21 0.08 0.04 0.00 0.00 177.00 175.41 3i6y s VAL 48 N -3.33 1.86 -0.29 -0.36 1.01 -0.57 -1.58 120.40 117.15 3i6y s VAL 48 Ca 0.61 -0.90 -0.15 0.00 0.00 0.00 0.00 61.98 61.54 3i6y s VAL 48 Cb -0.13 -1.62 -0.03 0.00 0.00 0.00 0.00 36.38 34.60 3i6y s VAL 48 CO 0.52 0.52 0.36 -0.22 0.00 0.00 0.00 175.10 176.27 3i6y s LEU 49 N 0.42 4.11 -0.10 3.92 2.96 0.64 -0.93 118.68 129.70 3i6y s LEU 49 Ca -0.18 0.16 -0.24 0.00 -0.22 0.00 0.00 54.13 53.65 3i6y s LEU 49 Cb -0.17 -2.39 -0.03 0.00 0.50 0.00 0.00 46.19 44.10 3i6y s LEU 49 CO 0.08 -0.21 0.77 -0.31 -1.32 0.00 0.00 176.35 175.36 3i6y s TYR 50 N 2.04 3.52 -0.16 5.38 1.51 -0.20 -1.29 117.35 128.16 3i6y s TYR 50 Ca 0.14 1.27 -0.00 0.00 -1.01 0.00 0.00 57.07 57.47 3i6y s TYR 50 Cb -0.16 -2.90 -0.00 0.00 -0.11 0.00 0.00 41.96 38.78 3i6y s TYR 50 CO 0.10 -0.05 -0.14 -0.46 -1.11 0.00 0.00 175.55 173.89 3i6y s TRP 51 N 1.34 2.80 -0.14 2.71 -0.11 0.20 -0.74 118.94 125.00 3i6y s TRP 51 Ca 0.39 -1.00 -0.01 0.00 1.22 0.00 0.00 56.10 56.69 3i6y s TRP 51 Cb -0.18 -1.90 -0.02 0.00 -1.50 0.00 0.00 33.47 29.88 3i6y s TRP 51 CO 0.17 -0.46 -0.10 -0.51 -4.62 0.00 0.00 176.95 171.43 3i6y s LEU 52 N 0.82 2.87 0.55 5.86 1.43 0.19 -3.87 118.68 126.52 3i6y s LEU 52 Ca -0.05 -0.28 0.04 0.00 -1.03 0.00 0.00 54.13 52.82 3i6y s LEU 52 Cb -0.15 -1.66 0.05 0.00 0.03 0.00 0.00 46.19 44.46 3i6y s LEU 52 CO -0.00 0.16 0.76 -0.44 0.23 0.00 0.00 176.35 177.06 3i6y s SER 53 N 0.39 5.19 0.20 2.29 0.01 -1.26 -2.12 113.70 118.40 3i6y s SER 53 Ca -0.09 -0.36 0.01 0.00 1.31 0.00 0.00 55.95 56.83 3i6y s SER 53 Cb -0.15 -0.43 0.02 0.00 0.21 0.00 0.00 66.02 65.67 3i6y s SER 53 CO 0.05 -1.20 0.18 0.61 0.41 0.00 0.00 173.24 173.28 3i6y n GLY 54 N -2.27 1.64 3.63 3.44 0.00 -1.20 -2.60 105.19 107.83 3i6y n GLY 54 Ca 0.11 -2.10 -0.46 0.00 0.00 0.00 0.00 46.02 43.57 3i6y n GLY 54 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i6y n LEU 55 N 0.00 2.45 0.00 0.99 4.77 -1.26 -1.97 117.00 121.98 3i6y n LEU 55 Ca 0.03 1.16 0.00 0.00 -0.03 0.00 0.00 56.01 57.17 3i6y n LEU 55 Cb 0.12 -1.35 0.00 0.00 -2.33 0.00 0.00 43.42 39.87 3i6y n LEU 55 CO 0.08 -0.90 0.00 0.35 -1.33 0.00 0.00 177.39 175.59 3i6y n THR 56 N 1.27 0.00 -2.35 -5.08 -2.24 0.62 -5.01 114.28 101.49 3i6y n THR 56 Ca 0.11 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.56 3i6y n THR 56 Cb 0.30 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.51 3i6y n THR 56 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i6y n SER 58 N -1.44 0.14 0.00 0.00 3.41 -1.26 -4.22 113.62 110.25 3i6y n SER 58 Ca 0.09 -1.10 0.03 0.00 -0.26 0.00 0.00 58.87 57.63 3i6y n SER 58 Cb 0.53 -0.03 0.19 0.00 -0.26 0.00 0.00 64.21 64.64 3i6y n SER 58 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3i6y n ASP 59 N -2.96 0.00 -0.00 4.04 5.68 -1.26 -3.84 116.55 118.21 3i6y n ASP 59 Ca 0.01 -1.37 0.06 0.00 -0.50 0.00 0.00 54.79 52.99 3i6y n ASP 59 Cb 0.04 0.00 -0.09 0.00 -1.14 0.00 0.00 41.12 39.93 3i6y n ASP 59 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3i6y n GLU 60 N -0.63 0.75 0.02 0.11 -0.58 -1.26 -4.43 120.64 114.63 3i6y n GLU 60 Ca 0.05 -0.10 -0.11 0.00 -0.42 0.00 0.00 57.16 56.58 3i6y n GLU 60 Cb 0.02 -1.26 -0.06 0.00 -0.57 0.00 0.00 31.44 29.58 3i6y n GLU 60 CO 0.00 0.00 0.00 -0.91 -0.48 0.00 0.00 177.13 175.74 3i6y h ASN 61 N 0.00 -0.05 0.00 1.62 4.21 -1.96 -0.92 115.58 118.47 3i6y h ASN 61 Ca 0.00 0.02 0.00 0.00 1.21 0.00 0.00 56.30 57.53 3i6y h ASN 61 Cb 0.52 0.03 0.00 0.00 -1.12 0.00 0.00 38.32 37.75 3i6y h ASN 61 CO 0.00 -0.02 0.00 0.33 -1.29 0.00 0.00 177.43 176.45 3i6y n PHE 62 N -5.12 0.00 0.00 1.19 7.35 -1.26 -1.15 117.46 118.46 3i6y n PHE 62 Ca -0.06 -0.08 0.00 0.00 -0.76 0.00 0.00 57.45 56.55 3i6y n PHE 62 Cb 0.06 -0.10 0.00 0.00 0.35 0.00 0.00 39.48 39.79 3i6y n PHE 62 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 3i6y n GLN 64 N 0.73 0.00 -0.05 -4.13 6.02 -0.35 -0.87 117.38 118.73 3i6y n GLN 64 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 56.94 3i6y n GLN 64 Cb 0.10 0.00 -0.08 0.00 1.02 0.00 0.00 30.24 31.28 3i6y n GLN 64 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3i6y n LYS 65 N 0.00 2.37 0.27 -1.09 5.02 -0.30 -4.64 118.16 119.79 3i6y n LYS 65 Ca 0.00 -0.00 0.16 0.00 -2.02 0.00 0.00 58.31 56.45 3i6y n LYS 65 Cb 0.00 -1.25 0.71 0.00 -0.02 0.00 0.00 35.03 34.47 3i6y n LYS 65 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i6y h ALA 66 N 0.47 1.04 -5.61 7.82 0.00 -1.17 -3.44 119.26 118.37 3i6y h ALA 66 Ca -0.26 -0.05 -0.40 0.00 0.00 0.00 0.00 54.91 54.19 3i6y h ALA 66 Cb 1.59 -0.01 0.13 0.00 0.00 0.00 0.00 17.79 19.50 3i6y h ALA 66 CO 0.01 0.07 -0.67 0.41 0.00 0.00 0.00 179.25 179.08 3i6y n GLY 67 N -0.15 -0.54 0.13 0.00 0.00 -1.26 -4.17 105.19 99.20 3i6y n GLY 67 Ca -0.00 0.23 0.12 0.00 0.00 0.00 0.00 46.02 46.37 3i6y n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i6y h ALA 68 N 1.01 0.77 -0.58 4.61 0.00 -1.91 -3.37 119.26 119.79 3i6y h ALA 68 Ca -0.56 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.30 3i6y h ALA 68 Cb 1.37 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.13 3i6y h ALA 68 CO 0.56 0.00 0.16 1.96 0.00 0.00 0.00 179.25 181.92 3i6y h GLN 69 N 0.00 0.89 -0.02 0.00 7.50 -1.96 -1.10 115.11 120.42 3i6y h GLN 69 Ca 0.00 -0.18 0.03 0.00 0.50 0.00 0.00 58.65 59.00 3i6y h GLN 69 Cb 0.88 -0.13 -0.06 0.00 0.05 0.00 0.00 27.48 28.22 3i6y h GLN 69 CO 0.00 0.79 -0.39 -0.09 -1.50 0.00 0.00 178.83 177.64 3i6y h ARG 70 N 0.86 -0.51 0.05 1.46 2.43 -1.96 -0.53 114.38 116.18 3i6y h ARG 70 Ca 0.19 0.03 -0.23 0.00 -0.81 0.00 0.00 59.98 59.16 3i6y h ARG 70 Cb 0.29 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 3i6y h ARG 70 CO -0.00 -0.34 -1.06 1.25 -1.51 0.00 0.00 179.97 178.31 3i6y h LEU 71 N -0.53 0.25 -0.78 3.80 5.85 -1.80 -2.92 115.31 119.18 3i6y h LEU 71 Ca 0.06 -0.24 0.08 0.00 0.84 0.00 0.00 57.88 58.61 3i6y h LEU 71 Cb 0.62 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.51 3i6y h LEU 71 CO -0.32 1.14 0.45 0.00 -0.34 0.00 0.00 178.44 179.38 3i6y h ALA 72 N 0.82 1.08 -0.44 1.25 0.00 -1.02 -0.25 119.26 120.70 3i6y h ALA 72 Ca -0.07 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 3i6y h ALA 72 Cb 1.77 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.39 3i6y h ALA 72 CO 0.16 0.12 0.06 0.00 0.00 0.00 0.00 179.25 179.59 3i6y h ALA 73 N 1.41 0.59 0.00 0.00 0.00 -1.06 0.29 119.26 120.49 3i6y h ALA 73 Ca 0.36 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 3i6y h ALA 73 Cb 0.27 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3i6y h ALA 73 CO -0.21 0.32 -0.40 1.05 0.00 0.00 0.00 179.25 180.01 3i6y h GLU 74 N 0.60 0.00 0.00 0.00 9.09 -1.27 -3.14 114.58 119.86 3i6y h GLU 74 Ca 0.13 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.54 3i6y h GLU 74 Cb 0.40 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.50 3i6y h GLU 74 CO 0.01 0.40 -0.86 1.28 0.05 0.00 0.00 179.01 179.89 3i6y n LEU 75 N -3.40 0.66 -1.62 3.06 4.77 -0.14 -4.99 117.00 115.33 3i6y n LEU 75 Ca 0.01 0.11 -0.06 0.00 -0.03 0.00 0.00 56.01 56.04 3i6y n LEU 75 Cb 0.58 -0.13 0.03 0.00 -2.33 0.00 0.00 43.42 41.56 3i6y n LEU 75 CO 0.38 -0.02 0.05 0.61 -1.33 0.00 0.00 177.39 177.08 3i6y n GLY 76 N 1.34 0.31 3.36 -0.72 0.00 0.91 -5.06 105.19 105.34 3i6y n GLY 76 Ca 0.02 -0.34 -0.33 0.00 0.00 0.00 0.00 46.02 45.38 3i6y n GLY 76 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i6y s ILE 77 N -3.10 2.90 0.22 -0.61 1.01 -0.54 -4.21 121.20 116.86 3i6y s ILE 77 Ca 0.06 -0.73 -0.17 0.00 0.00 0.00 0.00 60.65 59.81 3i6y s ILE 77 Cb -0.03 -2.19 -0.08 0.00 0.01 0.00 0.00 42.46 40.17 3i6y s ILE 77 CO 0.22 0.54 0.68 0.00 0.00 0.00 0.00 174.94 176.38 3i6y s ALA 78 N 0.17 3.44 -0.09 9.38 0.00 -0.61 -4.31 121.76 129.74 3i6y s ALA 78 Ca -0.08 0.06 0.03 0.00 0.00 0.00 0.00 51.96 51.97 3i6y s ALA 78 Cb -0.15 -2.73 0.01 0.00 0.00 0.00 0.00 23.12 20.24 3i6y s ALA 78 CO 0.05 0.36 -0.18 0.42 0.00 0.00 0.00 175.76 176.41 3i6y s ILE 79 N -1.59 1.63 -0.14 0.00 1.01 -0.47 -0.26 121.20 121.38 3i6y s ILE 79 Ca 0.44 -0.76 0.02 0.00 0.00 0.00 0.00 60.65 60.35 3i6y s ILE 79 Cb -0.15 -1.45 0.00 0.00 0.01 0.00 0.00 42.46 40.88 3i6y s ILE 79 CO 0.20 0.47 -0.19 -0.69 0.00 0.00 0.00 174.94 174.73 3i6y s VAL 80 N 0.62 2.35 -0.34 2.92 1.01 -0.41 0.07 120.40 126.61 3i6y s VAL 80 Ca -0.14 -0.88 0.04 0.00 0.00 0.00 0.00 61.98 61.00 3i6y s VAL 80 Cb -0.16 -1.96 0.10 0.00 0.00 0.00 0.00 36.38 34.35 3i6y s VAL 80 CO 0.04 0.53 0.05 0.00 0.00 0.00 0.00 175.10 175.73 3i6y s ALA 81 N 0.78 2.90 0.85 5.51 0.00 0.49 -0.63 121.76 131.65 3i6y s ALA 81 Ca -0.07 -2.54 -0.11 0.00 0.00 0.00 0.00 51.96 49.23 3i6y s ALA 81 Cb -0.16 -1.97 0.10 0.00 0.00 0.00 0.00 23.12 21.09 3i6y s ALA 81 CO -0.00 -1.69 1.10 -1.25 0.00 0.00 0.00 175.76 173.91 3i6y s PRO 82 N 0.90 1.67 1.14 0.00 0.04 -1.25 -1.24 135.00 136.25 3i6y s PRO 82 Ca 0.11 0.73 -0.15 0.00 0.04 0.00 0.00 61.00 61.72 3i6y s PRO 82 Cb -0.19 -1.86 0.26 0.00 0.04 0.00 0.00 34.50 32.75 3i6y s PRO 82 CO -0.08 -1.93 1.06 0.34 0.04 0.00 0.00 177.00 176.43 3i6y s ASP 83 N -3.66 1.35 0.00 6.66 -1.08 -0.12 -4.39 116.67 115.42 3i6y s ASP 83 Ca 0.62 1.05 0.24 0.00 -0.52 0.00 0.00 52.55 53.95 3i6y s ASP 83 Cb -0.16 -1.61 0.34 0.00 -1.46 0.00 0.00 42.92 40.03 3i6y s ASP 83 CO 0.56 -3.91 1.31 0.35 0.52 0.00 0.00 175.17 173.99 3i6y n THR 84 N -4.67 0.00 -3.66 1.71 -2.24 -1.26 -4.91 114.28 99.24 3i6y n THR 84 Ca 0.07 -0.20 -0.04 0.00 -2.27 0.00 0.00 64.05 61.61 3i6y n THR 84 Cb 0.58 0.86 -0.01 0.00 -2.10 0.00 0.00 70.33 69.66 3i6y n THR 84 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3i6y s SER 85 N -2.49 -0.21 0.67 3.42 1.04 -1.26 -1.89 113.70 112.98 3i6y s SER 85 Ca 0.21 -0.24 -0.17 0.00 0.48 0.00 0.00 55.95 56.22 3i6y s SER 85 Cb 0.19 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.71 3i6y s SER 85 CO 0.55 -0.72 1.26 -0.81 0.98 0.00 0.00 173.24 174.51 3i6y n PRO 86 N -0.40 0.96 -4.23 4.02 -0.04 -1.26 -4.85 135.00 129.20 3i6y n PRO 86 Ca -0.07 0.39 -0.13 0.00 -0.04 0.00 0.00 63.50 63.65 3i6y n PRO 86 Cb 0.61 -2.50 -0.10 0.00 -0.04 0.00 0.00 33.50 31.47 3i6y n PRO 86 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3i6y s ARG 87 N -3.45 1.03 0.00 0.54 1.81 -1.26 -4.69 118.95 112.92 3i6y s ARG 87 Ca 0.81 -1.45 0.00 0.00 -1.72 0.00 0.00 55.73 53.37 3i6y s ARG 87 Cb -0.37 -0.41 0.00 0.00 -0.45 0.00 0.00 34.95 33.72 3i6y s ARG 87 CO 0.42 -0.01 0.00 0.41 -0.68 0.00 0.00 175.30 175.44 3i6y n GLY 88 N -0.18 -1.30 3.76 -3.53 0.00 -1.26 -4.70 105.19 97.98 3i6y n GLY 88 Ca -0.10 -2.23 -0.40 0.00 0.00 0.00 0.00 46.02 43.30 3i6y n GLY 88 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i6y s GLU 89 N -0.81 4.52 0.00 1.61 8.01 -1.26 -3.44 118.70 127.34 3i6y s GLU 89 Ca 0.00 1.11 0.00 0.00 0.01 0.00 0.00 54.97 56.09 3i6y s GLU 89 Cb 0.00 -3.32 0.00 0.00 -4.31 0.00 0.00 34.13 26.50 3i6y s GLU 89 CO 0.00 0.40 0.00 0.41 0.01 0.00 0.00 175.26 176.08 3i6y n GLY 90 N 2.07 1.81 3.51 -1.39 0.00 -1.26 -5.06 105.19 104.86 3i6y n GLY 90 Ca -0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 3i6y n GLY 90 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i6y s VAL 91 N -1.96 3.85 0.75 1.61 1.01 -1.22 -5.05 120.40 119.39 3i6y s VAL 91 Ca 0.00 -0.38 -0.15 0.00 0.00 0.00 0.00 61.98 61.45 3i6y s VAL 91 Cb 0.00 -2.67 0.05 0.00 0.00 0.00 0.00 36.38 33.76 3i6y s VAL 91 CO 0.00 0.51 1.24 0.00 0.00 0.00 0.00 175.10 176.85 3i6y s ALA 92 N 0.17 2.05 0.20 5.51 0.00 -1.26 -4.78 121.76 123.64 3i6y s ALA 92 Ca -0.02 0.98 -0.14 0.00 0.00 0.00 0.00 51.96 52.77 3i6y s ALA 92 Cb -0.14 -3.51 0.01 0.00 0.00 0.00 0.00 23.12 19.48 3i6y s ALA 92 CO 0.03 -2.02 0.45 0.34 0.00 0.00 0.00 175.76 174.56 3i6y s ASP 93 N -1.88 -0.14 0.10 0.00 -1.08 -1.26 -4.39 116.67 108.02 3i6y s ASP 93 Ca 0.77 -0.68 0.06 0.00 -0.52 0.00 0.00 52.55 52.17 3i6y s ASP 93 Cb -0.32 0.55 -0.03 0.00 -1.46 0.00 0.00 42.92 41.65 3i6y s ASP 93 CO 0.46 -1.04 -0.14 -0.62 0.52 0.00 0.00 175.17 174.35 3i6y s ASP 94 N -2.93 1.89 0.45 -0.34 2.15 -1.26 -4.92 116.67 111.71 3i6y s ASP 94 Ca 0.14 -0.74 0.25 0.00 0.43 0.00 0.00 52.55 52.63 3i6y s ASP 94 Cb 0.00 -0.06 0.78 0.00 -0.30 0.00 0.00 42.92 43.34 3i6y s ASP 94 CO 0.01 -0.12 1.76 -0.33 -0.17 0.00 0.00 175.17 176.32 3i6y h GLU 95 N 3.80 0.00 -6.95 4.34 3.07 -2.00 -3.44 114.58 113.40 3i6y h GLU 95 Ca -0.40 0.00 -0.48 0.00 -0.50 0.00 0.00 59.36 57.97 3i6y h GLU 95 Cb 1.19 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 29.12 3i6y h GLU 95 CO 0.47 0.15 0.41 0.20 -1.40 0.00 0.00 179.01 178.84 3i6y s GLY 96 N -4.26 2.75 0.59 -3.84 0.00 -1.26 -4.94 107.32 96.36 3i6y s GLY 96 Ca 0.03 0.70 0.38 0.00 0.00 0.00 0.00 44.72 45.83 3i6y s GLY 96 CO 0.63 1.14 2.13 0.10 0.00 0.00 0.00 173.10 177.11 3i6y h TYR 97 N 2.60 0.00 -0.61 1.90 -0.00 -1.94 -3.17 116.97 115.75 3i6y h TYR 97 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.25 3i6y h TYR 97 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.94 3i6y h TYR 97 CO 0.58 0.00 0.00 -0.40 -0.00 0.00 0.00 178.16 178.34 3i6y n ASP 98 N -3.08 3.42 -3.73 0.10 5.68 -1.26 -4.48 116.55 113.20 3i6y n ASP 98 Ca -0.01 -1.99 -0.14 0.00 -0.50 0.00 0.00 54.79 52.15 3i6y n ASP 98 Cb 0.21 -0.40 -0.08 0.00 -1.14 0.00 0.00 41.12 39.71 3i6y n ASP 98 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 3i6y s LEU 99 N -1.07 0.67 0.00 -2.12 2.96 -1.20 -4.66 118.68 113.26 3i6y s LEU 99 Ca 0.43 0.14 0.00 0.00 -0.22 0.00 0.00 54.13 54.48 3i6y s LEU 99 Cb 0.22 1.43 0.00 0.00 0.50 0.00 0.00 46.19 48.34 3i6y s LEU 99 CO 0.30 -0.48 0.00 0.61 -1.32 0.00 0.00 176.35 175.46 3i6y n GLY 100 N 1.18 1.93 3.75 7.98 0.00 -1.26 -3.98 105.19 114.79 3i6y n GLY 100 Ca -0.21 -0.41 -0.41 0.00 0.00 0.00 0.00 46.02 44.99 3i6y n GLY 100 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i6y s GLN 101 N 0.00 4.43 0.00 1.61 -0.21 -1.26 -1.25 119.66 122.98 3i6y s GLN 101 Ca 0.00 2.06 0.00 0.00 0.02 0.00 0.00 55.36 57.44 3i6y s GLN 101 Cb 0.00 -3.15 0.00 0.00 1.00 0.00 0.00 33.01 30.86 3i6y s GLN 101 CO 0.00 -0.13 0.00 0.41 -2.12 0.00 0.00 175.29 173.45 3i6y n GLY 102 N 1.54 0.59 2.73 3.09 0.00 -1.26 -4.82 105.19 107.05 3i6y n GLY 102 Ca 0.02 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.00 3i6y n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i6y n ALA 103 N 1.00 2.59 0.50 4.61 0.00 -0.38 -0.28 120.51 128.56 3i6y n ALA 103 Ca 0.00 -2.06 0.12 0.00 0.00 0.00 0.00 53.44 51.50 3i6y n ALA 103 Cb 0.03 -0.90 0.46 0.00 0.00 0.00 0.00 19.45 19.03 3i6y n ALA 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i6y n GLY 104 N -0.75 -1.39 2.28 0.00 0.00 -0.79 -4.18 105.19 100.35 3i6y n GLY 104 Ca -0.02 0.03 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 3i6y n GLY 104 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3i6y n PHE 105 N -2.15 -0.22 -2.87 1.61 3.01 -1.26 -2.87 117.46 112.71 3i6y n PHE 105 Ca 0.03 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 58.31 3i6y n PHE 105 Cb 0.29 -2.49 0.00 0.00 -0.01 0.00 0.00 39.48 37.27 3i6y n PHE 105 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 3i6y n TYR 106 N -1.85 -1.62 -3.63 1.38 4.01 -1.26 -4.86 117.16 109.33 3i6y n TYR 106 Ca -0.11 0.25 -0.23 0.00 -0.16 0.00 0.00 57.90 57.64 3i6y n TYR 106 Cb 0.46 -3.12 -0.00 0.00 -0.31 0.00 0.00 39.34 36.37 3i6y n TYR 106 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 3i6y s VAL 107 N -2.83 2.10 -0.46 -0.72 -7.23 -1.14 -3.87 120.40 106.26 3i6y s VAL 107 Ca 0.19 -1.36 -0.12 0.00 -1.81 0.00 0.00 61.98 58.88 3i6y s VAL 107 Cb -0.10 -2.46 0.09 0.00 0.56 0.00 0.00 36.38 34.47 3i6y s VAL 107 CO 0.24 0.00 0.35 0.20 -0.31 0.00 0.00 175.10 175.58 3i6y s ASN 108 N -4.29 5.91 0.38 4.85 0.01 -1.26 -2.59 114.94 117.95 3i6y s ASN 108 Ca 0.44 -1.52 -0.27 0.00 -0.71 0.00 0.00 52.86 50.80 3i6y s ASN 108 Cb -0.03 -2.09 -0.09 0.00 0.41 0.00 0.00 41.25 39.45 3i6y s ASN 108 CO 0.27 -0.64 1.26 0.00 -1.51 0.00 0.00 177.10 176.48 3i6y s ALA 109 N 1.52 3.29 -0.18 0.60 0.00 0.54 -4.90 121.76 122.62 3i6y s ALA 109 Ca 0.04 1.15 0.04 0.00 0.00 0.00 0.00 51.96 53.19 3i6y s ALA 109 Cb -0.25 -3.45 -0.04 0.00 0.00 0.00 0.00 23.12 19.38 3i6y s ALA 109 CO 0.04 -0.68 0.17 0.25 0.00 0.00 0.00 175.76 175.53 3i6y n THR 110 N 0.30 0.00 -3.86 0.00 -2.24 0.87 -4.43 114.28 104.93 3i6y n THR 110 Ca 0.03 -0.40 -0.35 0.00 -2.27 0.00 0.00 64.05 61.05 3i6y n THR 110 Cb 0.44 0.99 -0.08 0.00 -2.10 0.00 0.00 70.33 69.58 3i6y n THR 110 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3i6y s GLN 111 N -1.38 3.88 0.46 -0.78 -1.52 -0.82 -4.81 119.66 114.70 3i6y s GLN 111 Ca 0.01 -0.23 -0.24 0.00 -1.95 0.00 0.00 55.36 52.95 3i6y s GLN 111 Cb 0.03 -3.28 -0.07 0.00 -0.22 0.00 0.00 33.01 29.47 3i6y s GLN 111 CO 0.16 0.44 1.30 0.00 -0.25 0.00 0.00 175.29 176.94 3i6y s ALA 112 N -0.07 3.06 -1.52 6.09 0.00 -1.26 -0.99 121.76 127.06 3i6y s ALA 112 Ca 0.09 1.21 0.29 0.00 0.00 0.00 0.00 51.96 53.54 3i6y s ALA 112 Cb -0.12 -3.49 1.19 0.00 0.00 0.00 0.00 23.12 20.70 3i6y s ALA 112 CO 0.00 -0.98 1.85 -0.35 0.00 0.00 0.00 175.76 176.28 3i6y n PRO 113 N -0.40 0.55 0.03 0.00 -0.04 -1.26 -4.87 135.00 129.01 3i6y n PRO 113 Ca 0.07 -0.18 0.04 0.00 -0.04 0.00 0.00 63.50 63.39 3i6y n PRO 113 Cb 0.45 -1.50 0.44 0.00 -0.04 0.00 0.00 33.50 32.85 3i6y n PRO 113 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 3i6y h TRP 114 N 0.43 0.46 0.00 0.54 4.06 -1.42 -2.95 115.95 117.07 3i6y h TRP 114 Ca 0.00 0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.96 3i6y h TRP 114 Cb 0.38 -0.15 0.00 0.00 -1.00 0.00 0.00 29.16 28.38 3i6y h TRP 114 CO 0.00 0.30 0.00 -2.95 -3.56 0.00 0.00 178.44 172.23 3i6y h ASN 115 N 0.49 0.00 -0.27 -3.49 -1.07 -1.39 0.10 115.58 109.95 3i6y h ASN 115 Ca 0.13 0.00 -0.04 0.00 0.07 0.00 0.00 56.30 56.46 3i6y h ASN 115 Cb -0.02 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 36.21 3i6y h ASN 115 CO -0.03 0.00 0.05 0.03 0.07 0.00 0.00 177.43 177.56 3i6y h ARG 116 N 0.00 0.53 0.00 4.14 3.08 -1.82 -3.38 114.38 116.93 3i6y h ARG 116 Ca 0.00 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 59.95 3i6y h ARG 116 Cb 0.23 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.19 3i6y h ARG 116 CO 0.00 0.52 -0.07 0.72 -1.07 0.00 0.00 179.97 180.07 3i6y n HIS 117 N -4.32 0.00 -2.18 3.04 8.25 -1.04 -4.71 115.22 114.26 3i6y n HIS 117 Ca 0.02 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.06 3i6y n HIS 117 Cb 0.21 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.32 3i6y n HIS 117 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3i6y n TYR 118 N -0.18 3.06 -4.34 4.41 4.01 0.34 -4.68 117.16 119.77 3i6y n TYR 118 Ca 0.00 -2.83 -0.33 0.00 -0.16 0.00 0.00 57.90 54.57 3i6y n TYR 118 Cb 0.00 -2.09 -0.15 0.00 -0.31 0.00 0.00 39.34 36.79 3i6y n TYR 118 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 3i6y s GLN 119 N 1.03 3.19 0.00 -0.72 -1.52 -1.26 -0.34 119.66 120.03 3i6y s GLN 119 Ca 0.42 -0.75 0.00 0.00 -1.95 0.00 0.00 55.36 53.08 3i6y s GLN 119 Cb 0.11 -2.67 0.00 0.00 -0.22 0.00 0.00 33.01 30.23 3i6y s GLN 119 CO -0.02 -0.07 0.00 0.98 -0.25 0.00 0.00 175.29 175.93 3i6y n TYR 121 N 4.30 0.00 -0.19 0.91 9.36 -1.07 -1.38 117.16 129.09 3i6y n TYR 121 Ca -0.19 0.00 -0.04 0.00 3.32 0.00 0.00 57.90 60.98 3i6y n TYR 121 Cb 0.51 0.00 0.14 0.00 -0.63 0.00 0.00 39.34 39.36 3i6y n TYR 121 CO 0.00 0.00 0.00 -0.44 0.22 0.00 0.00 176.86 176.64 3i6y h ASP 122 N 0.00 0.91 -0.01 2.98 3.32 -1.91 -0.24 116.42 121.48 3i6y h ASP 122 Ca 0.00 -0.16 0.03 0.00 0.02 0.00 0.00 57.03 56.92 3i6y h ASP 122 Cb 0.00 -0.24 -0.05 0.00 0.22 0.00 0.00 39.33 39.27 3i6y h ASP 122 CO 0.00 0.86 -0.27 0.22 -1.72 0.00 0.00 179.24 178.33 3i6y h TYR 123 N 0.94 -0.72 -0.31 4.55 3.20 -1.58 0.52 116.97 123.56 3i6y h TYR 123 Ca 0.21 0.02 -0.17 0.00 3.14 0.00 0.00 58.73 61.93 3i6y h TYR 123 Cb 0.28 0.32 -0.00 0.00 1.54 0.00 0.00 36.73 38.87 3i6y h TYR 123 CO 0.02 -0.36 -0.46 0.28 -1.64 0.00 0.00 178.16 176.00 3i6y h VAL 124 N -0.41 1.28 -0.02 1.81 2.07 -1.78 0.73 116.25 119.93 3i6y h VAL 124 Ca 0.06 -1.64 -0.23 0.00 0.82 0.00 0.00 66.70 65.71 3i6y h VAL 124 Cb 0.50 1.56 0.02 0.00 -1.52 0.00 0.00 31.29 31.84 3i6y h VAL 124 CO -0.24 0.54 -0.88 0.58 0.02 0.00 0.00 177.57 177.59 3i6y h VAL 125 N 0.66 1.32 0.00 2.57 2.07 -1.03 -3.39 116.25 118.45 3i6y h VAL 125 Ca 0.03 -2.16 0.00 0.00 0.82 0.00 0.00 66.70 65.40 3i6y h VAL 125 Cb 1.07 2.39 0.00 0.00 -1.52 0.00 0.00 31.29 33.22 3i6y h VAL 125 CO 0.11 0.66 -0.36 0.59 0.02 0.00 0.00 177.57 178.58 3i6y n ASN 126 N -3.97 1.18 -0.01 0.57 4.13 0.15 -4.73 115.26 112.57 3i6y n ASN 126 Ca -0.10 0.18 -0.13 0.00 1.68 0.00 0.00 54.58 56.21 3i6y n ASN 126 Cb 0.80 -0.46 -0.09 0.00 -1.54 0.00 0.00 39.78 38.50 3i6y n ASN 126 CO 0.00 0.00 0.00 -0.08 0.28 0.00 0.00 177.26 177.46 3i6y h GLU 127 N -0.36 0.05 0.10 3.52 4.81 -1.28 -3.14 114.58 118.28 3i6y h GLU 127 Ca 0.00 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3i6y h GLU 127 Cb 0.36 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.74 3i6y h GLU 127 CO 0.00 0.40 -0.05 1.25 -0.73 0.00 0.00 179.01 179.88 3i6y h LEU 128 N -0.30 -0.11 -1.16 1.64 5.85 -1.09 -0.77 115.31 119.36 3i6y h LEU 128 Ca 0.01 -0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.57 3i6y h LEU 128 Cb 0.38 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 3i6y h LEU 128 CO 0.00 0.05 0.14 1.55 -0.34 0.00 0.00 178.44 179.84 3i6y h PRO 129 N -0.28 0.72 -0.36 5.25 0.13 -1.76 0.12 132.00 135.84 3i6y h PRO 129 Ca -0.01 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 3i6y h PRO 129 Cb 0.23 -0.12 -0.02 0.00 0.13 0.00 0.00 31.00 31.22 3i6y h PRO 129 CO 0.02 0.64 0.23 0.93 -0.23 0.00 0.00 178.00 179.60 3i6y h GLU 130 N 0.71 0.47 0.01 0.86 4.39 -1.44 -0.26 114.58 119.32 3i6y h GLU 130 Ca 0.16 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.83 3i6y h GLU 130 Cb 0.23 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 3i6y h GLU 130 CO -0.01 0.32 -0.01 1.25 -1.16 0.00 0.00 179.01 179.41 3i6y h LEU 131 N 0.48 -0.01 -0.52 1.33 5.85 -0.36 -1.12 115.31 120.96 3i6y h LEU 131 Ca 0.13 -0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.80 3i6y h LEU 131 Cb -0.05 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 3i6y h LEU 131 CO -0.03 0.08 0.28 0.40 -0.34 0.00 0.00 178.44 178.83 3i6y h ILE 132 N -0.11 0.98 -0.14 4.05 1.08 -0.65 -2.39 117.51 120.34 3i6y h ILE 132 Ca -0.00 -0.19 -0.06 0.00 -0.39 0.00 0.00 64.86 64.22 3i6y h ILE 132 Cb 0.10 0.39 -0.01 0.00 -3.07 0.00 0.00 36.82 34.23 3i6y h ILE 132 CO 0.00 0.10 -0.20 -0.33 -0.69 0.00 0.00 178.15 177.03 3i6y h GLU 133 N 0.54 0.24 -0.12 2.37 5.08 -0.86 -1.23 114.58 120.60 3i6y h GLU 133 Ca 0.22 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 3i6y h GLU 133 Cb 0.11 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.33 3i6y h GLU 133 CO -0.14 0.44 0.00 -1.13 -1.00 0.00 0.00 179.01 177.18 3i6y n SER 134 N -4.21 0.12 -0.27 1.42 3.41 -0.44 -4.78 113.62 108.88 3i6y n SER 134 Ca -0.01 -1.13 -0.02 0.00 -0.26 0.00 0.00 58.87 57.45 3i6y n SER 134 Cb 0.32 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.21 3i6y n SER 134 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3i6y n PHE 136 N -0.34 -0.33 -1.68 7.33 3.72 -0.47 -5.10 117.46 120.58 3i6y n PHE 136 Ca 0.00 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.99 3i6y n PHE 136 Cb 0.03 -0.10 -0.03 0.00 -0.94 0.00 0.00 39.48 38.45 3i6y n PHE 136 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 3i6y n PRO 137 N 0.16 2.26 -4.35 -1.08 -0.02 -1.26 -4.89 135.00 125.81 3i6y n PRO 137 Ca -0.00 -2.41 -0.22 0.00 -2.02 0.00 0.00 63.50 58.85 3i6y n PRO 137 Cb 0.04 -3.24 -0.11 0.00 -0.02 0.00 0.00 33.50 30.17 3i6y n PRO 137 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3i6y s VAL 138 N 4.97 1.93 0.32 -1.45 -7.23 -1.26 -1.99 120.40 115.69 3i6y s VAL 138 Ca 0.54 -1.97 -0.04 0.00 -1.81 0.00 0.00 61.98 58.70 3i6y s VAL 138 Cb 0.11 -1.92 0.07 0.00 0.56 0.00 0.00 36.38 35.21 3i6y s VAL 138 CO 0.04 -0.30 0.44 -1.54 -0.31 0.00 0.00 175.10 173.43 3i6y n SER 139 N 0.21 0.17 -1.26 4.85 3.41 -0.35 -4.74 113.62 115.92 3i6y n SER 139 Ca -0.12 -1.24 0.08 0.00 -0.26 0.00 0.00 58.87 57.32 3i6y n SER 139 Cb 0.57 -0.33 0.28 0.00 -0.26 0.00 0.00 64.21 64.48 3i6y n SER 139 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3i6y n ASP 140 N -3.21 3.69 -4.69 4.04 5.75 -1.26 -4.82 116.55 116.05 3i6y n ASP 140 Ca 0.06 -2.25 -0.38 0.00 -0.01 0.00 0.00 54.79 52.21 3i6y n ASP 140 Cb 0.21 -0.48 -0.07 0.00 -1.03 0.00 0.00 41.12 39.75 3i6y n ASP 140 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3i6y s LYS 141 N -1.61 4.23 0.03 0.11 -0.14 -1.26 -5.05 119.74 116.06 3i6y s LYS 141 Ca 0.41 0.27 -0.07 0.00 -1.36 0.00 0.00 55.97 55.21 3i6y s LYS 141 Cb 0.25 -3.49 -0.00 0.00 -1.68 0.00 0.00 37.83 32.90 3i6y s LYS 141 CO 0.22 0.05 0.13 -0.98 -0.76 0.00 0.00 175.35 174.01 3i6y s ARG 142 N 1.02 0.60 0.27 1.68 1.70 -1.26 -1.51 118.95 121.46 3i6y s ARG 142 Ca 0.21 -0.66 0.02 0.00 -0.47 0.00 0.00 55.73 54.83 3i6y s ARG 142 Cb -0.15 0.24 -0.05 0.00 -0.57 0.00 0.00 34.95 34.42 3i6y s ARG 142 CO 0.08 -0.16 0.08 0.00 -1.08 0.00 0.00 175.30 174.22 3i6y s ALA 143 N -2.40 1.85 -0.02 7.88 0.00 -0.11 -0.95 121.76 128.02 3i6y s ALA 143 Ca -0.07 -1.90 -0.02 0.00 0.00 0.00 0.00 51.96 49.97 3i6y s ALA 143 Cb -0.02 0.94 0.00 0.00 0.00 0.00 0.00 23.12 24.04 3i6y s ALA 143 CO -0.03 -0.42 0.06 -1.50 0.00 0.00 0.00 175.76 173.87 3i6y s ILE 144 N -3.65 0.02 0.08 0.00 2.07 -1.00 -1.03 121.20 117.69 3i6y s ILE 144 Ca 0.37 -0.16 -0.09 0.00 -1.41 0.00 0.00 60.65 59.35 3i6y s ILE 144 Cb 0.08 -0.15 0.00 0.00 0.13 0.00 0.00 42.46 42.53 3i6y s ILE 144 CO 0.14 -0.09 0.21 0.00 -1.91 0.00 0.00 174.94 173.28 3i6y s ALA 145 N -0.25 -0.30 0.17 1.50 0.00 0.08 -1.88 121.76 121.08 3i6y s ALA 145 Ca -0.03 -0.53 -0.23 0.00 0.00 0.00 0.00 51.96 51.17 3i6y s ALA 145 Cb -0.02 0.47 0.08 0.00 0.00 0.00 0.00 23.12 23.65 3i6y s ALA 145 CO 0.00 -0.50 1.06 0.20 0.00 0.00 0.00 175.76 176.52 3i6y s GLY 146 N -2.75 0.08 -0.09 0.00 0.00 -1.10 -0.64 107.32 102.82 3i6y s GLY 146 Ca 0.03 -0.29 0.04 0.00 0.00 0.00 0.00 44.72 44.50 3i6y s GLY 146 CO -0.10 2.59 -0.22 -1.58 0.00 0.00 0.00 173.10 173.79 3i6y s HIS 147 N -2.19 2.31 0.00 1.90 5.65 -0.90 -0.75 115.29 121.31 3i6y s HIS 147 Ca 0.22 -0.90 0.00 0.00 0.25 0.00 0.00 55.06 54.63 3i6y s HIS 147 Cb -0.02 -1.56 0.00 0.00 -1.18 0.00 0.00 32.58 29.82 3i6y s HIS 147 CO 0.05 -0.36 0.00 0.45 -0.65 0.00 0.00 174.74 174.23 3i6y n SER 148 N 3.50 0.00 0.00 9.88 2.88 -0.00 -2.97 113.62 126.90 3i6y n SER 148 Ca -0.20 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.34 3i6y n SER 148 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 3i6y n SER 148 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3i6y n GLY 150 N 0.00 0.00 0.25 0.46 0.00 -1.07 -1.25 105.19 103.58 3i6y n GLY 150 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 3i6y n GLY 150 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3i6y h GLY 151 N 0.00 0.95 0.29 -0.02 0.00 -1.60 0.31 103.07 103.00 3i6y h GLY 151 Ca 0.00 -1.02 0.07 0.00 0.00 0.00 0.00 47.33 46.37 3i6y h GLY 151 CO 0.00 0.92 -0.12 0.84 0.00 0.00 0.00 176.54 178.18 3i6y h HIS 152 N 0.66 -0.28 -0.11 5.60 -0.00 -1.36 0.60 115.15 120.25 3i6y h HIS 152 Ca 0.04 0.03 0.04 0.00 -0.00 0.00 0.00 60.37 60.48 3i6y h HIS 152 Cb 1.02 0.17 -0.05 0.00 -0.00 0.00 0.00 27.41 28.56 3i6y h HIS 152 CO 0.07 -0.19 -0.18 0.78 -0.00 0.00 0.00 177.93 178.41 3i6y h GLY 153 N -0.06 -0.15 0.76 5.26 0.00 -1.76 -1.10 103.07 106.00 3i6y h GLY 153 Ca 0.16 0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.70 3i6y h GLY 153 CO -0.35 -0.17 0.01 0.00 0.00 0.00 0.00 176.54 176.02 3i6y h ALA 154 N 0.77 0.06 -0.36 3.60 0.00 -0.70 -1.36 119.26 121.27 3i6y h ALA 154 Ca 0.09 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 3i6y h ALA 154 Cb 0.37 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3i6y h ALA 154 CO -0.25 -0.30 0.05 -0.07 0.00 0.00 0.00 179.25 178.68 3i6y h LEU 155 N -0.18 0.57 -0.45 0.00 3.38 -0.76 -0.92 115.31 116.96 3i6y h LEU 155 Ca 0.01 -0.27 -0.09 0.00 0.09 0.00 0.00 57.88 57.63 3i6y h LEU 155 Cb 0.28 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3i6y h LEU 155 CO 0.00 0.70 -0.06 0.71 0.09 0.00 0.00 178.44 179.88 3i6y h THR 156 N 0.43 1.27 -0.30 0.22 1.35 -1.18 -1.19 112.91 113.51 3i6y h THR 156 Ca 0.11 -1.14 -0.01 0.00 -0.55 0.00 0.00 66.41 64.81 3i6y h THR 156 Cb 0.37 1.10 -0.01 0.00 -1.73 0.00 0.00 68.15 67.88 3i6y h THR 156 CO 0.01 0.39 0.15 0.40 -0.25 0.00 0.00 175.52 176.22 3i6y h ILE 157 N 0.67 1.15 -0.30 6.82 5.03 -1.18 -2.18 117.51 127.51 3i6y h ILE 157 Ca 0.12 -0.41 -0.01 0.00 -0.12 0.00 0.00 64.86 64.45 3i6y h ILE 157 Cb 0.58 0.87 -0.01 0.00 -3.03 0.00 0.00 36.82 35.22 3i6y h ILE 157 CO 0.03 0.15 0.16 0.00 -0.68 0.00 0.00 178.15 177.82 3i6y h ALA 158 N 1.01 0.39 -0.79 1.87 0.00 -1.09 -1.43 119.26 119.23 3i6y h ALA 158 Ca 0.10 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.97 3i6y h ALA 158 Cb 0.10 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 3i6y h ALA 158 CO -0.01 -0.09 0.52 -0.07 0.00 0.00 0.00 179.25 179.60 3i6y h LEU 159 N 0.37 0.86 0.00 0.00 3.38 -1.10 -2.62 115.31 116.20 3i6y h LEU 159 Ca 0.11 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.96 3i6y h LEU 159 Cb 0.06 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 3i6y h LEU 159 CO -0.02 0.61 -0.65 0.03 0.09 0.00 0.00 178.44 178.50 3i6y h ARG 160 N 1.01 0.00 -2.12 1.13 -0.00 -1.29 -3.39 114.38 109.72 3i6y h ARG 160 Ca 0.30 0.00 -0.57 0.00 -0.50 0.00 0.00 59.98 59.21 3i6y h ARG 160 Cb -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 29.97 29.53 3i6y h ARG 160 CO -0.08 0.40 -0.72 0.09 0.00 0.00 0.00 179.97 179.66 3i6y n ASN 161 N -3.13 4.07 0.24 7.04 3.02 -0.55 -4.93 115.26 121.02 3i6y n ASN 161 Ca -0.00 -3.60 0.09 0.00 -0.03 0.00 0.00 54.58 51.04 3i6y n ASN 161 Cb 0.73 -0.55 0.59 0.00 -0.61 0.00 0.00 39.78 39.94 3i6y n ASN 161 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 3i6y h PRO 162 N 2.93 0.00 0.00 3.52 0.13 -1.67 -0.88 132.00 136.02 3i6y h PRO 162 Ca 0.15 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.25 3i6y h PRO 162 Cb 0.62 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.75 3i6y h PRO 162 CO 0.78 0.19 -0.12 0.93 -0.23 0.00 0.00 178.00 179.55 3i6y h GLU 163 N 0.00 0.00 0.00 0.86 4.39 -1.91 -3.22 114.58 114.70 3i6y h GLU 163 Ca -0.00 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.64 3i6y h GLU 163 Cb 0.41 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 3i6y h GLU 163 CO 0.02 0.12 -0.70 0.00 -1.16 0.00 0.00 179.01 177.29 3i6y h ARG 164 N 0.00 0.00 -5.21 2.33 2.47 -1.53 -3.46 114.38 108.99 3i6y h ARG 164 Ca -0.00 0.00 -0.57 0.00 -1.26 0.00 0.00 59.98 58.15 3i6y h ARG 164 Cb 0.78 0.00 -0.32 0.00 -1.65 0.00 0.00 29.97 28.78 3i6y h ARG 164 CO 0.02 0.16 -0.84 0.71 0.56 0.00 0.00 179.97 180.58 3i6y s TYR 165 N -3.15 1.76 0.04 3.04 2.02 -1.20 -4.52 117.35 115.33 3i6y s TYR 165 Ca 0.02 -0.55 0.19 0.00 -0.37 0.00 0.00 57.07 56.37 3i6y s TYR 165 Cb 0.08 -1.19 0.55 0.00 -0.40 0.00 0.00 41.96 40.99 3i6y s TYR 165 CO 0.75 -0.20 1.67 1.96 -1.57 0.00 0.00 175.55 178.16 3i6y h GLN 166 N 6.39 0.00 -1.85 -0.62 1.08 -1.33 -3.47 115.11 115.31 3i6y h GLN 166 Ca -0.31 0.00 0.19 0.00 -1.45 0.00 0.00 58.65 57.08 3i6y h GLN 166 Cb 1.18 0.00 -0.17 0.00 -0.05 0.00 0.00 27.48 28.44 3i6y h GLN 166 CO 0.48 0.36 0.67 -1.54 -0.95 0.00 0.00 178.83 177.84 3i6y s SER 167 N -6.36 -0.24 -0.05 1.46 1.04 -1.26 -4.38 113.70 103.91 3i6y s SER 167 Ca 0.02 -0.00 -0.10 0.00 0.48 0.00 0.00 55.95 56.34 3i6y s SER 167 Cb 0.09 0.25 0.02 0.00 0.10 0.00 0.00 66.02 66.49 3i6y s SER 167 CO 0.69 -0.41 0.24 0.54 0.98 0.00 0.00 173.24 175.28 3i6y s VAL 168 N -2.74 0.04 0.18 5.02 0.11 -0.63 -2.39 120.40 119.98 3i6y s VAL 168 Ca 0.07 -0.30 -0.10 0.00 -2.93 0.00 0.00 61.98 58.72 3i6y s VAL 168 Cb -0.01 -0.45 -0.01 0.00 -1.53 0.00 0.00 36.38 34.38 3i6y s VAL 168 CO -0.07 -0.17 0.31 -0.94 -3.33 0.00 0.00 175.10 170.91 3i6y s SER 169 N -0.64 0.01 0.03 3.54 1.04 -0.79 -1.85 113.70 115.03 3i6y s SER 169 Ca -0.07 -0.87 -0.22 0.00 0.48 0.00 0.00 55.95 55.26 3i6y s SER 169 Cb -0.04 0.46 0.05 0.00 0.10 0.00 0.00 66.02 66.59 3i6y s SER 169 CO 0.02 -0.93 0.51 0.00 0.98 0.00 0.00 173.24 173.82 3i6y s ALA 170 N -3.97 -1.30 -0.16 5.32 0.00 -0.16 -2.72 121.76 118.76 3i6y s ALA 170 Ca 0.18 0.64 -0.02 0.00 0.00 0.00 0.00 51.96 52.76 3i6y s ALA 170 Cb 0.03 0.30 -0.01 0.00 0.00 0.00 0.00 23.12 23.43 3i6y s ALA 170 CO 0.01 -0.46 -0.10 -0.06 0.00 0.00 0.00 175.76 175.16 3i6y s PHE 171 N -2.18 2.88 -1.55 0.00 0.40 0.08 -1.03 117.98 116.58 3i6y s PHE 171 Ca -0.07 -0.71 -0.12 0.00 -0.60 0.00 0.00 56.93 55.44 3i6y s PHE 171 Cb -0.01 -1.93 0.09 0.00 0.51 0.00 0.00 43.02 41.68 3i6y s PHE 171 CO 0.00 -0.29 0.78 0.43 0.70 0.00 0.00 175.22 176.84 3i6y n SER 172 N 3.89 -3.06 -4.75 1.36 7.64 -0.30 -0.82 113.62 117.58 3i6y n SER 172 Ca -0.18 -0.91 -0.36 0.00 1.01 0.00 0.00 58.87 58.43 3i6y n SER 172 Cb 0.52 -3.32 0.05 0.00 -1.01 0.00 0.00 64.21 60.45 3i6y n SER 172 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 3i6y s PRO 173 N -6.67 2.75 -0.74 1.43 0.04 -1.26 -2.71 135.00 127.84 3i6y s PRO 173 Ca 0.51 1.82 -0.26 0.00 0.04 0.00 0.00 61.00 63.10 3i6y s PRO 173 Cb -0.27 -1.90 0.02 0.00 0.04 0.00 0.00 34.50 32.39 3i6y s PRO 173 CO 0.88 -1.38 1.43 0.42 0.04 0.00 0.00 177.00 178.39 3i6y s ILE 174 N -1.68 3.66 0.10 0.56 1.01 -0.96 -4.60 121.20 119.28 3i6y s ILE 174 Ca 0.77 0.24 0.08 0.00 0.00 0.00 0.00 60.65 61.74 3i6y s ILE 174 Cb -0.31 -4.71 -0.21 0.00 0.01 0.00 0.00 42.46 37.24 3i6y s ILE 174 CO 0.37 -1.65 1.19 0.78 0.00 0.00 0.00 174.94 175.62 3i6y h ASN 175 N 11.03 0.00 -2.08 3.58 4.21 -1.53 -3.39 115.58 127.41 3i6y h ASN 175 Ca -0.22 -0.00 -0.54 0.00 1.21 0.00 0.00 56.30 56.75 3i6y h ASN 175 Cb 1.07 -0.00 -0.40 0.00 -1.12 0.00 0.00 38.32 37.86 3i6y h ASN 175 CO 1.28 1.00 -0.99 -3.20 -1.29 0.00 0.00 177.43 174.23 3i6y n ASN 176 N -3.31 1.72 0.26 5.81 4.05 -1.26 -1.28 115.26 121.26 3i6y n ASN 176 Ca -0.02 -3.11 0.09 0.00 0.45 0.00 0.00 54.58 51.99 3i6y n ASN 176 Cb 0.96 -0.62 0.66 0.00 1.23 0.00 0.00 39.78 42.01 3i6y n ASN 176 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 3i6y h PRO 177 N 3.42 0.00 0.00 1.20 0.13 -1.86 0.24 132.00 135.13 3i6y h PRO 177 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3i6y h PRO 177 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 3i6y h PRO 177 CO 0.59 0.07 0.00 -0.39 -0.23 0.00 0.00 178.00 178.04 3i6y h VAL 178 N 0.00 0.00 -0.28 1.56 -1.51 -1.90 -2.81 116.25 111.32 3i6y h VAL 178 Ca -0.00 -0.25 -0.01 0.00 -1.23 0.00 0.00 66.70 65.21 3i6y h VAL 178 Cb 0.13 1.08 -0.01 0.00 -2.13 0.00 0.00 31.29 30.36 3i6y h VAL 178 CO 0.01 0.00 0.00 0.59 -1.23 0.00 0.00 177.57 176.94 3i6y n ASN 179 N -2.68 3.87 -4.11 4.19 5.03 0.07 -4.72 115.26 116.91 3i6y n ASN 179 Ca 0.00 -3.06 -0.11 0.00 0.87 0.00 0.00 54.58 52.28 3i6y n ASN 179 Cb 0.20 -0.56 -0.11 0.00 -1.02 0.00 0.00 39.78 38.29 3i6y n ASN 179 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3i6y h PRO 181 N 3.62 0.62 -0.06 0.00 0.11 -1.87 0.59 132.00 135.01 3i6y h PRO 181 Ca -0.35 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.72 3i6y h PRO 181 Cb 1.18 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 3i6y h PRO 181 CO 0.55 0.41 0.03 -1.49 -0.21 0.00 0.00 178.00 177.29 3i6y h TRP 182 N 0.64 0.08 -0.28 0.65 6.55 -1.92 0.08 115.95 121.75 3i6y h TRP 182 Ca 0.40 -0.00 -0.06 0.00 0.95 0.00 0.00 58.89 60.18 3i6y h TRP 182 Cb 0.46 -0.03 -0.01 0.00 -0.86 0.00 0.00 29.16 28.73 3i6y h TRP 182 CO -0.10 0.10 -0.06 0.78 -1.05 0.00 0.00 178.44 178.12 3i6y h GLY 183 N 0.03 0.57 1.00 1.49 0.00 -1.59 -2.44 103.07 102.12 3i6y h GLY 183 Ca 0.02 -0.46 0.00 0.00 0.00 0.00 0.00 47.33 46.89 3i6y h GLY 183 CO -0.00 0.42 0.33 1.46 0.00 0.00 0.00 176.54 178.75 3i6y h GLN 184 N 0.29 0.70 0.01 4.80 4.20 -0.63 0.51 115.11 124.98 3i6y h GLN 184 Ca 0.07 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 3i6y h GLN 184 Cb 0.52 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.15 3i6y h GLN 184 CO 0.03 0.49 -0.00 -0.22 -0.67 0.00 0.00 178.83 178.45 3i6y h LYS 185 N 0.71 -0.01 -0.26 1.46 3.64 -0.95 -1.72 116.57 119.44 3i6y h LYS 185 Ca 0.19 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.52 3i6y h LYS 185 Cb -0.04 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 3i6y h LYS 185 CO -0.04 0.01 -0.02 0.00 -2.27 0.00 0.00 179.45 177.13 3i6y h ALA 186 N 0.97 0.35 -0.56 5.00 0.00 -1.33 -2.51 119.26 121.18 3i6y h ALA 186 Ca -0.00 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.57 3i6y h ALA 186 Cb 0.02 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3i6y h ALA 186 CO 0.00 0.11 -0.03 0.74 0.00 0.00 0.00 179.25 180.08 3i6y h PHE 187 N 0.24 1.08 -0.32 0.00 0.04 -0.91 -0.13 116.94 116.94 3i6y h PHE 187 Ca 0.07 -0.19 -0.00 0.00 2.80 0.00 0.00 57.97 60.65 3i6y h PHE 187 Cb 0.46 -0.28 -0.02 0.00 2.20 0.00 0.00 35.95 38.31 3i6y h PHE 187 CO 0.04 0.97 0.19 1.15 -0.60 0.00 0.00 178.31 180.07 3i6y h THR 188 N 0.90 1.12 -0.08 -1.55 2.02 -1.32 0.29 112.91 114.30 3i6y h THR 188 Ca 0.16 -0.28 -0.02 0.00 0.77 0.00 0.00 66.41 67.05 3i6y h THR 188 Cb 0.56 0.71 -0.00 0.00 -1.74 0.00 0.00 68.15 67.69 3i6y h THR 188 CO 0.03 0.12 -0.02 0.00 0.37 0.00 0.00 175.52 176.02 3i6y h ALA 189 N 1.07 0.10 0.07 6.16 0.00 -1.26 -1.67 119.26 123.74 3i6y h ALA 189 Ca 0.12 -0.20 -0.28 0.00 0.00 0.00 0.00 54.91 54.54 3i6y h ALA 189 Cb 0.02 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3i6y h ALA 189 CO -0.02 -0.18 -1.41 1.88 0.00 0.00 0.00 179.25 179.51 3i6y h TYR 190 N -0.18 0.27 0.00 0.00 0.05 -1.01 -3.39 116.97 112.71 3i6y h TYR 190 Ca 0.02 -0.20 0.00 0.00 0.05 0.00 0.00 58.73 58.60 3i6y h TYR 190 Cb 0.41 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.13 3i6y h TYR 190 CO 0.05 1.22 -0.75 1.28 -1.05 0.00 0.00 178.16 178.91 3i6y n LEU 191 N -3.37 0.13 0.00 3.88 4.77 0.97 -0.09 117.00 123.29 3i6y n LEU 191 Ca -0.12 -0.25 0.00 0.00 -0.03 0.00 0.00 56.01 55.61 3i6y n LEU 191 Cb 1.02 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.11 3i6y n LEU 191 CO 0.49 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 3i6y n GLY 192 N 1.65 -0.55 0.19 -0.72 0.00 -0.63 -4.69 105.19 100.45 3i6y n GLY 192 Ca 0.00 -1.77 0.14 0.00 0.00 0.00 0.00 46.02 44.39 3i6y n GLY 192 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i6y h LYS 193 N 0.00 0.00 -6.31 1.61 1.57 -1.87 -3.39 116.57 108.18 3i6y h LYS 193 Ca 0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 3i6y h LYS 193 Cb 0.00 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.25 3i6y h LYS 193 CO 0.00 0.00 1.13 0.34 -0.57 0.00 0.00 179.45 180.35 3i6y s ASP 194 N -5.06 5.99 0.23 0.86 2.15 -1.26 -4.85 116.67 114.73 3i6y s ASP 194 Ca 0.05 -0.04 0.21 0.00 0.43 0.00 0.00 52.55 53.20 3i6y s ASP 194 Cb 0.09 -2.55 0.94 0.00 -0.30 0.00 0.00 42.92 41.10 3i6y s ASP 194 CO 0.52 -1.89 1.65 0.35 -0.17 0.00 0.00 175.17 175.63 3i6y n THR 195 N 6.70 0.93 0.02 1.71 -2.24 -1.26 -1.84 114.28 118.29 3i6y n THR 195 Ca 0.10 0.33 0.08 0.00 -2.27 0.00 0.00 64.05 62.29 3i6y n THR 195 Cb 0.50 -1.26 0.50 0.00 -2.10 0.00 0.00 70.33 67.97 3i6y n THR 195 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3i6y h ASP 196 N 0.00 0.33 0.86 3.42 3.32 -1.97 -1.66 116.42 120.72 3i6y h ASP 196 Ca 0.00 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3i6y h ASP 196 Cb 0.27 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.75 3i6y h ASP 196 CO 0.00 0.22 0.00 0.71 -1.72 0.00 0.00 179.24 178.45 3i6y h THR 197 N 0.38 0.00 0.00 0.35 1.35 -1.75 -3.09 112.91 110.14 3i6y h THR 197 Ca 0.17 -0.34 -0.09 0.00 -0.55 0.00 0.00 66.41 65.60 3i6y h THR 197 Cb 0.21 1.17 -0.01 0.00 -1.73 0.00 0.00 68.15 67.79 3i6y h THR 197 CO -0.04 0.00 -0.77 -0.50 -0.25 0.00 0.00 175.52 173.96 3i6y h TRP 198 N 0.00 0.00 -0.99 4.73 4.06 -1.46 -3.38 115.95 118.90 3i6y h TRP 198 Ca 0.00 0.00 0.20 0.00 2.06 0.00 0.00 58.89 61.15 3i6y h TRP 198 Cb 0.43 0.00 -0.10 0.00 -1.00 0.00 0.00 29.16 28.49 3i6y h TRP 198 CO 0.00 0.38 0.62 0.00 -3.56 0.00 0.00 178.44 175.87 3i6y h ARG 199 N 0.00 0.66 0.00 0.49 3.08 -1.56 -0.40 114.38 116.65 3i6y h ARG 199 Ca -0.05 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.96 3i6y h ARG 199 Cb 1.33 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 31.23 3i6y h ARG 199 CO 0.04 0.44 0.00 -0.85 -1.07 0.00 0.00 179.97 178.53 3i6y n GLU 200 N -4.72 0.98 -0.10 0.04 0.28 -1.26 -2.46 120.64 113.41 3i6y n GLU 200 Ca 0.23 0.00 0.08 0.00 -0.16 0.00 0.00 57.16 57.31 3i6y n GLU 200 Cb 0.62 -1.26 0.11 0.00 1.43 0.00 0.00 31.44 32.34 3i6y n GLU 200 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 3i6y n TYR 201 N -0.76 0.00 -4.03 -1.84 4.01 -0.16 -4.99 117.16 109.39 3i6y n TYR 201 Ca 0.12 -0.85 -0.33 0.00 -0.16 0.00 0.00 57.90 56.68 3i6y n TYR 201 Cb 0.06 -0.13 -0.15 0.00 -0.31 0.00 0.00 39.34 38.81 3i6y n TYR 201 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3i6y s ASP 202 N -2.49 4.08 0.20 7.72 -1.08 -1.03 -4.78 116.67 119.30 3i6y s ASP 202 Ca 0.25 -1.00 -0.11 0.00 -0.52 0.00 0.00 52.55 51.17 3i6y s ASP 202 Cb 0.22 -1.58 0.13 0.00 -1.46 0.00 0.00 42.92 40.23 3i6y s ASP 202 CO 0.02 -0.12 1.85 0.00 0.52 0.00 0.00 175.17 177.45 3i6y h ALA 203 N 7.92 0.87 -0.33 3.66 0.00 -1.84 0.68 119.26 130.21 3i6y h ALA 203 Ca -0.31 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 3i6y h ALA 203 Cb 1.09 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 3i6y h ALA 203 CO 0.55 0.32 0.15 0.77 0.00 0.00 0.00 179.25 181.04 3i6y h SER 204 N 0.93 0.44 -0.25 0.00 0.02 -1.54 -3.00 113.55 110.14 3i6y h SER 204 Ca 0.25 -0.14 -0.00 0.00 -0.84 0.00 0.00 61.79 61.05 3i6y h SER 204 Cb -0.08 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.34 3i6y h SER 204 CO -0.05 0.46 0.14 -0.07 -1.14 0.00 0.00 176.83 176.18 3i6y h LEU 205 N 0.40 0.31 -1.40 5.07 3.38 -1.74 -2.34 115.31 119.00 3i6y h LEU 205 Ca 0.11 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3i6y h LEU 205 Cb 0.15 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3i6y h LEU 205 CO -0.01 0.30 0.00 0.18 0.09 0.00 0.00 178.44 179.00 3i6y n LEU 206 N -4.86 0.00 0.00 1.67 4.77 0.20 -2.87 117.00 115.91 3i6y n LEU 206 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 3i6y n LEU 206 Cb 0.07 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 3i6y n LEU 206 CO 0.35 0.00 0.00 -1.14 -1.33 0.00 0.00 177.39 175.27 3i6y n ARG 208 N 0.65 0.00 0.00 3.23 0.63 -0.88 -0.59 116.66 119.70 3i6y n ARG 208 Ca 0.00 0.00 0.11 0.00 -0.92 0.00 0.00 57.85 57.04 3i6y n ARG 208 Cb 0.00 0.00 0.03 0.00 0.45 0.00 0.00 32.46 32.94 3i6y n ARG 208 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3i6y n ALA 209 N 0.00 3.93 -1.62 5.13 0.00 -1.14 -4.64 120.51 122.17 3i6y n ALA 209 Ca 0.00 -0.57 -0.51 0.00 0.00 0.00 0.00 53.44 52.37 3i6y n ALA 209 Cb 0.00 -0.86 -0.05 0.00 0.00 0.00 0.00 19.45 18.53 3i6y n ALA 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i6y n ALA 210 N -0.79 -0.28 0.74 0.00 0.00 0.24 -4.89 120.51 115.53 3i6y n ALA 210 Ca 0.07 0.49 0.11 0.00 0.00 0.00 0.00 53.44 54.11 3i6y n ALA 210 Cb 0.39 -2.16 -0.03 0.00 0.00 0.00 0.00 19.45 17.64 3i6y n ALA 210 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3i6y n LYS 211 N 2.95 0.17 -3.93 0.00 5.02 -1.26 -4.90 118.16 116.21 3i6y n LYS 211 Ca 0.18 -0.03 -0.12 0.00 -2.02 0.00 0.00 58.31 56.33 3i6y n LYS 211 Cb 0.22 -1.53 -0.13 0.00 -0.02 0.00 0.00 35.03 33.56 3i6y n LYS 211 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3i6y s GLN 212 N -3.13 0.12 -0.02 1.97 -0.21 -1.26 -5.15 119.66 111.97 3i6y s GLN 212 Ca 0.05 -0.16 -0.13 0.00 0.02 0.00 0.00 55.36 55.14 3i6y s GLN 212 Cb 0.15 -0.03 -0.05 0.00 1.00 0.00 0.00 33.01 34.08 3i6y s GLN 212 CO 0.83 0.00 0.36 0.71 -2.12 0.00 0.00 175.29 175.07 3i6y s TYR 213 N -0.33 3.70 -0.18 0.91 2.02 -1.26 -4.94 117.35 117.26 3i6y s TYR 213 Ca -0.03 0.91 0.00 0.00 -0.37 0.00 0.00 57.07 57.58 3i6y s TYR 213 Cb -0.02 -2.23 0.02 0.00 -0.40 0.00 0.00 41.96 39.32 3i6y s TYR 213 CO -0.00 0.65 -0.18 0.08 -1.57 0.00 0.00 175.55 174.52 3i6y s VAL 214 N -1.03 2.20 0.30 0.71 1.01 -1.26 -5.02 120.40 117.31 3i6y s VAL 214 Ca 0.22 -0.89 -0.29 0.00 0.00 0.00 0.00 61.98 61.01 3i6y s VAL 214 Cb -0.16 -1.93 -0.13 0.00 0.00 0.00 0.00 36.38 34.16 3i6y s VAL 214 CO 0.12 0.53 1.36 -2.65 0.00 0.00 0.00 175.10 174.46 3i6y n PRO 215 N 4.64 2.13 -4.25 2.72 -0.02 -1.26 -4.76 135.00 134.20 3i6y n PRO 215 Ca -0.21 0.75 -0.17 0.00 -2.02 0.00 0.00 63.50 61.85 3i6y n PRO 215 Cb 0.50 -2.38 -0.13 0.00 -0.02 0.00 0.00 33.50 31.47 3i6y n PRO 215 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i6y s ALA 216 N -0.58 0.81 -0.05 3.55 0.00 -0.17 -1.61 121.76 123.71 3i6y s ALA 216 Ca 0.61 -0.61 0.03 0.00 0.00 0.00 0.00 51.96 51.99 3i6y s ALA 216 Cb -0.60 -0.12 0.01 0.00 0.00 0.00 0.00 23.12 22.41 3i6y s ALA 216 CO 0.56 0.14 -0.13 -1.17 0.00 0.00 0.00 175.76 175.16 3i6y s LEU 217 N -0.86 1.75 -0.04 0.00 2.96 -0.77 -1.44 118.68 120.28 3i6y s LEU 217 Ca -0.01 -0.28 0.01 0.00 -0.22 0.00 0.00 54.13 53.64 3i6y s LEU 217 Cb -0.06 -0.79 0.02 0.00 0.50 0.00 0.00 46.19 45.86 3i6y s LEU 217 CO 0.00 0.07 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.36 3i6y s VAL 218 N 0.38 0.62 -0.09 1.68 1.01 0.02 -0.99 120.40 123.03 3i6y s VAL 218 Ca -0.09 -0.19 0.02 0.00 0.00 0.00 0.00 61.98 61.72 3i6y s VAL 218 Cb -0.13 -0.62 -0.02 0.00 0.00 0.00 0.00 36.38 35.62 3i6y s VAL 218 CO 0.02 0.24 -0.15 -1.81 0.00 0.00 0.00 175.10 173.40 3i6y s ASP 219 N 0.76 3.94 -0.05 3.32 1.01 -0.19 -0.24 116.67 125.21 3i6y s ASP 219 Ca -0.11 -0.28 0.02 0.00 0.71 0.00 0.00 52.55 52.89 3i6y s ASP 219 Cb -0.14 -1.21 0.01 0.00 1.01 0.00 0.00 42.92 42.59 3i6y s ASP 219 CO 0.01 0.25 -0.10 -1.58 0.21 0.00 0.00 175.17 173.96 3i6y s GLN 220 N -0.17 1.41 -0.10 8.23 2.00 -0.12 -1.15 119.66 129.75 3i6y s GLN 220 Ca -0.01 -0.34 -0.27 0.00 -2.00 0.00 0.00 55.36 52.74 3i6y s GLN 220 Cb -0.13 -1.22 -0.02 0.00 0.80 0.00 0.00 33.01 32.44 3i6y s GLN 220 CO 0.03 0.03 0.88 0.20 -0.50 0.00 0.00 175.29 175.93 3i6y s GLY 221 N 0.61 2.41 0.51 2.59 0.00 -1.26 -0.88 107.32 111.30 3i6y s GLY 221 Ca -0.12 0.23 0.30 0.00 0.00 0.00 0.00 44.72 45.13 3i6y s GLY 221 CO 0.02 1.64 1.93 0.83 0.00 0.00 0.00 173.10 177.53 3i6y h GLU 222 N 7.07 0.00 -0.65 2.90 5.08 -0.66 -2.36 114.58 125.96 3i6y h GLU 222 Ca -0.34 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 3i6y h GLU 222 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 3i6y h GLU 222 CO 0.81 0.09 0.00 0.00 -1.00 0.00 0.00 179.01 178.91 3i6y n ALA 223 N -2.15 3.52 -2.42 3.43 0.00 0.01 -4.86 120.51 118.04 3i6y n ALA 223 Ca 0.00 -1.55 -0.43 0.00 0.00 0.00 0.00 53.44 51.47 3i6y n ALA 223 Cb 0.35 -1.09 -0.02 0.00 0.00 0.00 0.00 19.45 18.69 3i6y n ALA 223 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3i6y s ASP 224 N -0.69 6.65 0.54 0.00 -1.08 -0.89 -4.49 116.67 116.71 3i6y s ASP 224 Ca 0.45 1.18 0.33 0.00 -0.52 0.00 0.00 52.55 53.99 3i6y s ASP 224 Cb 0.33 -2.54 1.82 0.00 -1.46 0.00 0.00 42.92 41.07 3i6y s ASP 224 CO 0.15 -1.10 2.02 0.78 0.52 0.00 0.00 175.17 177.53 3i6y h ASN 225 N 9.38 0.00 0.05 -0.34 -0.26 -1.91 -2.25 115.58 120.25 3i6y h ASN 225 Ca -0.26 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.48 3i6y h ASN 225 Cb 1.10 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.36 3i6y h ASN 225 CO 1.04 0.00 -0.30 0.49 -1.06 0.00 0.00 177.43 177.60 3i6y n PHE 226 N -2.74 0.00 0.10 1.19 3.72 -1.26 -4.70 117.46 113.78 3i6y n PHE 226 Ca -0.02 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.23 3i6y n PHE 226 Cb 0.13 -0.03 -0.07 0.00 -0.94 0.00 0.00 39.48 38.57 3i6y n PHE 226 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 3i6y h LEU 227 N 2.49 -1.28 -0.14 4.37 6.46 -1.76 0.43 115.31 125.87 3i6y h LEU 227 Ca 0.00 0.14 -0.05 0.00 -0.12 0.00 0.00 57.88 57.85 3i6y h LEU 227 Cb 0.71 0.48 -0.00 0.00 -0.73 0.00 0.00 40.66 41.12 3i6y h LEU 227 CO 0.00 -0.49 -0.11 0.00 -0.62 0.00 0.00 178.44 177.22 3i6y h ALA 228 N -0.18 0.21 0.04 1.25 0.00 -1.84 -0.23 119.26 118.51 3i6y h ALA 228 Ca 0.02 -0.30 -0.26 0.00 0.00 0.00 0.00 54.91 54.37 3i6y h ALA 228 Cb 0.68 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.44 3i6y h ALA 228 CO -0.26 0.06 -1.07 1.49 0.00 0.00 0.00 179.25 179.46 3i6y h GLU 229 N -0.03 0.51 0.00 0.00 4.81 -1.84 -3.41 114.58 114.62 3i6y h GLU 229 Ca 0.03 -0.61 -0.04 0.00 -0.13 0.00 0.00 59.36 58.61 3i6y h GLU 229 Cb 0.62 0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.18 3i6y h GLU 229 CO 0.03 1.23 -1.23 1.04 -0.73 0.00 0.00 179.01 179.36 3i6y n GLN 230 N -3.76 1.75 -0.09 1.92 1.13 0.12 -4.49 117.38 113.96 3i6y n GLN 230 Ca -0.09 -0.02 -0.19 0.00 -1.94 0.00 0.00 57.00 54.76 3i6y n GLN 230 Cb 0.90 -1.10 -0.06 0.00 0.11 0.00 0.00 30.24 30.09 3i6y n GLN 230 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3i6y n LEU 231 N -1.89 1.49 -3.42 1.08 4.77 -0.90 -4.42 117.00 113.71 3i6y n LEU 231 Ca -0.04 0.25 -0.21 0.00 -0.03 0.00 0.00 56.01 55.99 3i6y n LEU 231 Cb 0.37 -0.61 0.06 0.00 -2.33 0.00 0.00 43.42 40.91 3i6y n LEU 231 CO 0.08 0.26 0.00 0.29 -1.33 0.00 0.00 177.39 176.70 3i6y n LYS 232 N -3.97 -1.79 0.25 3.23 5.02 -0.15 -1.66 118.16 119.10 3i6y n LYS 232 Ca -0.34 0.73 0.08 0.00 -2.02 0.00 0.00 58.31 56.76 3i6y n LYS 232 Cb 0.71 -5.12 0.62 0.00 -0.02 0.00 0.00 35.03 31.22 3i6y n LYS 232 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 3i6y h PRO 233 N -1.32 0.00 -0.05 1.97 0.13 -1.88 -1.88 132.00 128.97 3i6y h PRO 233 Ca -0.60 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.51 3i6y h PRO 233 Cb 1.32 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.44 3i6y h PRO 233 CO 0.45 0.04 -0.06 1.05 -0.23 0.00 0.00 178.00 179.24 3i6y h GLU 234 N 0.00 0.07 -0.34 0.86 9.09 -1.97 -0.60 114.58 121.69 3i6y h GLU 234 Ca -0.00 -0.01 -0.17 0.00 0.05 0.00 0.00 59.36 59.23 3i6y h GLU 234 Cb 0.07 -0.01 -0.00 0.00 -1.65 0.00 0.00 28.75 27.15 3i6y h GLU 234 CO 0.00 0.14 -0.46 0.28 0.05 0.00 0.00 179.01 179.03 3i6y h VAL 235 N 0.07 1.27 -0.32 -1.06 2.07 -1.70 -0.86 116.25 115.73 3i6y h VAL 235 Ca 0.02 -1.63 -0.02 0.00 0.82 0.00 0.00 66.70 65.88 3i6y h VAL 235 Cb 0.16 1.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 3i6y h VAL 235 CO 0.01 0.54 0.11 0.25 0.02 0.00 0.00 177.57 178.50 3i6y h LEU 236 N 0.72 0.45 -0.83 2.57 5.85 -1.33 -2.45 115.31 120.28 3i6y h LEU 236 Ca 0.04 -0.19 0.04 0.00 0.84 0.00 0.00 57.88 58.62 3i6y h LEU 236 Cb 1.06 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.92 3i6y h LEU 236 CO 0.11 0.52 0.53 -0.33 -0.34 0.00 0.00 178.44 178.92 3i6y h GLU 237 N 0.36 0.97 -0.25 1.25 5.08 -0.96 -1.30 114.58 119.73 3i6y h GLU 237 Ca 0.10 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3i6y h GLU 237 Cb 0.22 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3i6y h GLU 237 CO -0.01 0.64 0.14 0.00 -1.00 0.00 0.00 179.01 178.78 3i6y h ALA 238 N 1.37 0.32 -0.22 3.43 0.00 -1.06 0.10 119.26 123.19 3i6y h ALA 238 Ca 0.35 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.22 3i6y h ALA 238 Cb 0.07 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3i6y h ALA 238 CO -0.14 -0.16 0.05 0.00 0.00 0.00 0.00 179.25 179.00 3i6y h ALA 239 N 1.02 0.23 -0.22 0.00 0.00 -0.96 -1.72 119.26 117.61 3i6y h ALA 239 Ca 0.09 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.06 3i6y h ALA 239 Cb 0.06 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3i6y h ALA 239 CO -0.01 -0.38 0.06 0.00 0.00 0.00 0.00 179.25 178.91 3i6y h ALA 240 N 1.16 0.23 -0.66 0.00 0.00 -0.96 -2.36 119.26 116.66 3i6y h ALA 240 Ca 0.10 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3i6y h ALA 240 Cb 0.09 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3i6y h ALA 240 CO -0.13 -0.37 0.36 0.77 0.00 0.00 0.00 179.25 179.89 3i6y h SER 241 N 0.15 0.80 0.85 0.00 0.02 -0.74 0.51 113.55 115.14 3i6y h SER 241 Ca 0.10 -0.06 -0.10 0.00 -0.84 0.00 0.00 61.79 60.89 3i6y h SER 241 Cb 0.08 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 3i6y h SER 241 CO -0.11 0.64 -0.45 0.28 -1.14 0.00 0.00 176.83 176.04 3i6y h SER 242 N 0.91 0.00 -0.22 3.07 0.02 -1.03 -3.25 113.55 113.04 3i6y h SER 242 Ca 0.23 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 3i6y h SER 242 Cb 0.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.55 3i6y h SER 242 CO -0.04 0.45 0.00 -3.20 -1.14 0.00 0.00 176.83 172.90 3i6y n ASN 243 N -3.56 3.51 -3.75 3.07 5.15 -0.89 -4.97 115.26 113.82 3i6y n ASN 243 Ca -0.00 -2.92 -0.28 0.00 -0.60 0.00 0.00 54.58 50.77 3i6y n ASN 243 Cb 0.56 -0.49 -0.02 0.00 -0.53 0.00 0.00 39.78 39.30 3i6y n ASN 243 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 3i6y n ASN 244 N -0.57 -2.93 -4.73 1.20 3.02 -0.82 -4.90 115.26 105.52 3i6y n ASN 244 Ca 0.19 -0.64 -0.41 0.00 -0.03 0.00 0.00 54.58 53.70 3i6y n ASN 244 Cb 0.80 -2.45 -0.05 0.00 -0.61 0.00 0.00 39.78 37.47 3i6y n ASN 244 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3i6y s TYR 245 N -2.99 3.81 -1.14 3.10 6.14 0.11 -4.93 117.35 121.45 3i6y s TYR 245 Ca 0.54 1.79 -0.19 0.00 0.64 0.00 0.00 57.07 59.86 3i6y s TYR 245 Cb -0.30 -3.07 -0.05 0.00 0.42 0.00 0.00 41.96 38.96 3i6y s TYR 245 CO 0.67 0.13 2.00 -0.35 0.64 0.00 0.00 175.55 178.64 3i6y n PRO 246 N 2.47 2.23 -4.41 4.97 -0.04 -1.26 -4.77 135.00 134.19 3i6y n PRO 246 Ca 0.02 -2.41 -0.33 0.00 -0.04 0.00 0.00 63.50 60.73 3i6y n PRO 246 Cb 0.48 -3.25 -0.15 0.00 -0.04 0.00 0.00 33.50 30.55 3i6y n PRO 246 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3i6y s LEU 247 N 3.35 2.56 -0.36 1.53 2.96 -1.26 -1.00 118.68 126.46 3i6y s LEU 247 Ca 0.55 -0.45 -0.10 0.00 -0.22 0.00 0.00 54.13 53.91 3i6y s LEU 247 Cb 0.11 -1.60 0.02 0.00 0.50 0.00 0.00 46.19 45.23 3i6y s LEU 247 CO 0.04 0.07 0.18 -0.70 -1.32 0.00 0.00 176.35 174.62 3i6y s GLU 248 N 0.91 2.86 -0.26 1.98 2.12 -0.52 -5.01 118.70 120.78 3i6y s GLU 248 Ca -0.03 -1.05 -0.07 0.00 0.36 0.00 0.00 54.97 54.18 3i6y s GLU 248 Cb -0.15 -3.65 -0.02 0.00 0.26 0.00 0.00 34.13 30.58 3i6y s GLU 248 CO -0.01 -0.65 0.07 -1.17 -0.54 0.00 0.00 175.26 172.96 3i6y s LEU 249 N 1.53 3.55 -0.13 2.70 0.20 -1.26 -0.80 118.68 124.47 3i6y s LEU 249 Ca 0.02 -0.37 -0.02 0.00 0.69 0.00 0.00 54.13 54.45 3i6y s LEU 249 Cb -0.19 -1.91 -0.03 0.00 -0.43 0.00 0.00 46.19 43.64 3i6y s LEU 249 CO 0.06 -0.09 -0.06 -0.13 -0.29 0.00 0.00 176.35 175.84 3i6y s ARG 250 N 1.58 3.42 -0.13 1.98 0.52 0.67 -4.98 118.95 122.01 3i6y s ARG 250 Ca 0.05 -0.56 -0.04 0.00 -0.52 0.00 0.00 55.73 54.66 3i6y s ARG 250 Cb -0.16 -2.79 -0.03 0.00 0.52 0.00 0.00 34.95 32.49 3i6y s ARG 250 CO 0.03 0.33 0.02 0.45 0.02 0.00 0.00 175.30 176.15 3i6y s SER 251 N 0.10 5.36 -0.21 0.23 0.15 -1.26 -0.95 113.70 117.12 3i6y s SER 251 Ca -0.02 0.10 0.01 0.00 0.70 0.00 0.00 55.95 56.73 3i6y s SER 251 Cb -0.14 -1.73 0.05 0.00 -1.71 0.00 0.00 66.02 62.49 3i6y s SER 251 CO 0.03 0.28 -0.07 -1.00 1.20 0.00 0.00 173.24 173.68 3i6y s HIS 252 N -0.26 2.31 0.27 3.44 0.09 -0.06 -4.97 115.29 116.12 3i6y s HIS 252 Ca 0.07 -1.62 -0.30 0.00 -0.00 0.00 0.00 55.06 53.20 3i6y s HIS 252 Cb -0.12 -1.56 -0.13 0.00 -0.00 0.00 0.00 32.58 30.77 3i6y s HIS 252 CO 0.02 -0.75 1.39 -1.91 -0.00 0.00 0.00 174.74 173.49 3i6y n GLU 253 N 4.70 2.11 0.00 1.40 0.00 -1.26 -0.71 120.64 126.88 3i6y n GLU 253 Ca -0.13 0.75 0.00 0.00 0.00 0.00 0.00 57.16 57.78 3i6y n GLU 253 Cb 0.45 -2.39 0.00 0.00 0.00 0.00 0.00 31.44 29.50 3i6y n GLU 253 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3i6y n GLY 254 N 1.82 3.01 3.82 8.31 0.00 -1.26 -4.85 105.19 116.05 3i6y n GLY 254 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 3i6y n GLY 254 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i6y s TYR 255 N -1.63 3.57 0.00 1.61 2.02 -1.16 -4.63 117.35 117.13 3i6y s TYR 255 Ca 0.00 1.44 0.00 0.00 -0.37 0.00 0.00 57.07 58.14 3i6y s TYR 255 Cb 0.00 -2.67 0.00 0.00 -0.40 0.00 0.00 41.96 38.89 3i6y s TYR 255 CO 0.00 0.23 0.00 -0.40 -1.57 0.00 0.00 175.55 173.81 3i6y n ASP 256 N 0.35 0.18 -0.44 2.29 5.68 -1.26 -0.81 116.55 122.54 3i6y n ASP 256 Ca 0.00 0.00 0.12 0.00 -0.50 0.00 0.00 54.79 54.41 3i6y n ASP 256 Cb 0.52 0.00 0.17 0.00 -1.14 0.00 0.00 41.12 40.66 3i6y n ASP 256 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 3i6y n HIS 257 N 0.00 0.00 -1.95 2.11 -0.00 -1.26 -4.40 115.22 109.72 3i6y n HIS 257 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 57.43 3i6y n HIS 257 Cb 0.00 -0.04 0.09 0.00 -0.00 0.00 0.00 29.99 30.04 3i6y n HIS 257 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 3i6y s SER 258 N -2.42 4.48 0.60 0.26 1.04 -1.26 -4.91 113.70 111.49 3i6y s SER 258 Ca 0.22 0.71 0.40 0.00 0.48 0.00 0.00 55.95 57.76 3i6y s SER 258 Cb 0.19 -1.20 2.10 0.00 0.10 0.00 0.00 66.02 67.21 3i6y s SER 258 CO 0.52 -1.90 2.22 1.88 0.98 0.00 0.00 173.24 176.94 3i6y h TYR 259 N -1.02 0.00 -0.97 5.02 -1.99 -1.95 -1.59 116.97 114.47 3i6y h TYR 259 Ca -0.46 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.28 3i6y h TYR 259 Cb 1.32 0.00 -0.05 0.00 2.00 0.00 0.00 36.73 40.01 3i6y h TYR 259 CO 0.25 0.00 0.61 1.88 -0.00 0.00 0.00 178.16 180.90 3i6y h TYR 260 N 0.00 1.25 -0.01 4.88 0.05 -1.92 0.39 116.97 121.61 3i6y h TYR 260 Ca 0.00 0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.79 3i6y h TYR 260 Cb 0.08 -0.42 -0.00 0.00 1.01 0.00 0.00 36.73 37.40 3i6y h TYR 260 CO 0.00 0.81 -0.00 0.35 -1.05 0.00 0.00 178.16 178.27 3i6y h PHE 261 N 1.33 0.03 -0.28 4.88 3.57 -1.59 -2.48 116.94 122.39 3i6y h PHE 261 Ca 0.35 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.88 3i6y h PHE 261 Cb -0.11 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.60 3i6y h PHE 261 CO 0.00 0.34 0.09 0.82 -2.23 0.00 0.00 178.31 177.33 3i6y h ILE 262 N -0.30 0.92 -0.25 1.41 5.03 -1.25 -1.60 117.51 121.47 3i6y h ILE 262 Ca 0.00 -0.07 -0.02 0.00 -0.12 0.00 0.00 64.86 64.65 3i6y h ILE 262 Cb 0.33 0.69 -0.01 0.00 -3.03 0.00 0.00 36.82 34.79 3i6y h ILE 262 CO 0.00 0.04 0.05 0.00 -0.68 0.00 0.00 178.15 177.56 3i6y h ALA 263 N 1.18 1.63 0.00 1.87 0.00 -0.97 -0.51 119.26 122.46 3i6y h ALA 263 Ca 0.12 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3i6y h ALA 263 Cb 0.10 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3i6y h ALA 263 CO -0.13 0.28 -0.04 0.77 0.00 0.00 0.00 179.25 180.13 3i6y h SER 264 N 0.35 0.00 0.00 0.00 0.02 -0.80 -3.25 113.55 109.88 3i6y h SER 264 Ca 0.09 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 3i6y h SER 264 Cb 0.15 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.69 3i6y h SER 264 CO -0.00 0.04 -0.02 0.49 -1.14 0.00 0.00 176.83 176.20 3i6y n PHE 265 N -3.92 0.00 0.02 3.45 3.72 -0.87 -4.83 117.46 115.03 3i6y n PHE 265 Ca -0.03 -0.23 -0.01 0.00 -0.05 0.00 0.00 57.45 57.13 3i6y n PHE 265 Cb 0.13 -0.03 0.28 0.00 -0.94 0.00 0.00 39.48 38.92 3i6y n PHE 265 CO 0.00 0.00 0.00 0.97 -0.05 0.00 0.00 176.76 177.68 3i6y h ILE 266 N 1.86 1.22 -0.62 4.37 6.09 -1.14 -1.56 117.51 127.72 3i6y h ILE 266 Ca 0.00 -0.96 -0.00 0.00 -1.37 0.00 0.00 64.86 62.53 3i6y h ILE 266 Cb 0.81 1.13 -0.03 0.00 0.47 0.00 0.00 36.82 39.20 3i6y h ILE 266 CO 0.00 0.31 0.39 -0.33 -3.07 0.00 0.00 178.15 175.45 3i6y h GLU 267 N 0.43 0.83 -0.86 2.19 5.08 -1.86 0.05 114.58 120.45 3i6y h GLU 267 Ca 0.08 -0.06 0.07 0.00 -1.00 0.00 0.00 59.36 58.45 3i6y h GLU 267 Cb 0.46 -0.18 -0.06 0.00 0.50 0.00 0.00 28.75 29.46 3i6y h GLU 267 CO 0.03 0.58 0.53 -0.44 -1.00 0.00 0.00 179.01 178.70 3i6y h ASP 268 N 0.85 0.82 -0.19 1.42 3.32 -1.65 -0.78 116.42 120.21 3i6y h ASP 268 Ca 0.23 0.02 -0.09 0.00 0.02 0.00 0.00 57.03 57.20 3i6y h ASP 268 Cb -0.05 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.35 3i6y h ASP 268 CO -0.04 0.51 -0.25 0.45 -1.72 0.00 0.00 179.24 178.19 3i6y h HIS 269 N 0.95 0.62 -0.68 4.55 3.86 -0.92 -1.34 115.15 122.18 3i6y h HIS 269 Ca 0.38 -0.20 0.01 0.00 -1.16 0.00 0.00 60.37 59.40 3i6y h HIS 269 Cb 0.20 -0.12 -0.04 0.00 1.06 0.00 0.00 27.41 28.52 3i6y h HIS 269 CO -0.04 0.89 0.45 -0.07 0.86 0.00 0.00 177.93 180.02 3i6y h LEU 270 N 0.16 0.77 -0.74 2.43 3.38 -0.67 0.55 115.31 121.18 3i6y h LEU 270 Ca 0.02 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.86 3i6y h LEU 270 Cb 0.82 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 3i6y h LEU 270 CO 0.06 0.55 -0.32 0.03 0.09 0.00 0.00 178.44 178.85 3i6y h ARG 271 N 0.91 0.59 0.16 1.13 3.08 -1.09 0.90 114.38 120.05 3i6y h ARG 271 Ca 0.25 -0.27 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 3i6y h ARG 271 Cb -0.08 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 29.96 3i6y h ARG 271 CO -0.06 0.84 -0.08 0.35 -1.07 0.00 0.00 179.97 179.95 3i6y h PHE 272 N 0.51 -0.19 -0.66 3.04 3.57 -0.83 -2.35 116.94 120.02 3i6y h PHE 272 Ca 0.06 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.51 3i6y h PHE 272 Cb 0.80 0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.58 3i6y h PHE 272 CO 0.03 -0.10 0.25 0.45 -2.23 0.00 0.00 178.31 176.71 3i6y h HIS 273 N -0.24 1.03 -0.82 0.41 3.86 -0.76 -2.80 115.15 115.83 3i6y h HIS 273 Ca -0.02 -0.09 0.13 0.00 -1.16 0.00 0.00 60.37 59.23 3i6y h HIS 273 Cb 0.18 -0.30 -0.09 0.00 1.06 0.00 0.00 27.41 28.26 3i6y h HIS 273 CO -0.06 0.81 0.43 1.03 0.86 0.00 0.00 177.93 181.00 3i6y h SER 274 N 0.94 0.54 -0.69 2.45 0.87 -0.77 0.12 113.55 117.02 3i6y h SER 274 Ca 0.22 0.08 0.05 0.00 -1.23 0.00 0.00 61.79 60.91 3i6y h SER 274 Cb 0.24 -0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.14 3i6y h SER 274 CO -0.01 0.26 0.45 0.78 -0.53 0.00 0.00 176.83 177.78 3i6y h ASN 275 N 0.65 0.65 0.45 6.23 2.35 -1.14 -2.36 115.58 122.41 3i6y h ASN 275 Ca 0.43 -0.00 -0.28 0.00 -0.55 0.00 0.00 56.30 55.90 3i6y h ASN 275 Cb 0.54 -0.14 -0.05 0.00 0.05 0.00 0.00 38.32 38.72 3i6y h ASN 275 CO -0.32 0.43 -1.76 -1.22 -1.65 0.00 0.00 177.43 172.90 3i6y n TYR 276 N -4.47 0.83 0.15 1.19 4.01 -0.74 -4.08 117.16 114.04 3i6y n TYR 276 Ca 0.09 0.30 0.01 0.00 -0.16 0.00 0.00 57.90 58.14 3i6y n TYR 276 Cb 0.19 -1.13 0.28 0.00 -0.31 0.00 0.00 39.34 38.37 3i6y n TYR 276 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 3i6y h LEU 277 N 0.00 0.05 -9.45 7.72 3.38 -0.58 -3.46 115.31 112.97 3i6y h LEU 277 Ca -0.30 -0.02 -0.54 0.00 0.09 0.00 0.00 57.88 57.11 3i6y h LEU 277 Cb 1.96 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 42.68 3i6y h LEU 277 CO 0.06 0.49 0.40 0.20 0.09 0.00 0.00 178.44 179.69 3i6y s ASN 278 N -6.90 7.33 0.00 -0.43 0.01 -0.91 -4.98 114.94 109.06 3i6y s ASN 278 Ca -0.03 1.75 0.00 0.00 -0.71 0.00 0.00 52.86 53.87 3i6y s ASN 278 Cb 0.14 -2.57 0.00 0.00 0.41 0.00 0.00 41.25 39.22 3i6y s ASN 278 CO 0.74 -0.28 0.00 0.00 -1.51 0.00 0.00 177.10 176.06