#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1k s PRO 26 N 0.00 4.31 0.26 1.64 0.02 -1.26 -4.79 135.00 135.18 3i1k s PRO 26 Ca 0.00 2.12 -0.14 0.00 0.02 0.00 0.00 61.00 63.00 3i1k s PRO 26 Cb 0.00 -3.22 -0.08 0.00 0.02 0.00 0.00 34.50 31.22 3i1k s PRO 26 CO 0.00 -0.44 0.66 0.96 -0.33 0.00 0.00 177.00 177.85 3i1k s ILE 27 N 0.97 4.76 -0.24 2.83 -5.25 -0.50 -4.49 121.20 119.27 3i1k s ILE 27 Ca 0.64 0.84 -0.12 0.00 -0.99 0.00 0.00 60.65 61.02 3i1k s ILE 27 Cb -0.38 -3.66 -0.05 0.00 2.95 0.00 0.00 42.46 41.33 3i1k s ILE 27 CO 0.32 -0.06 0.25 -0.89 -1.79 0.00 0.00 174.94 172.77 3i1k s THR 28 N -1.82 5.29 0.46 8.37 2.01 -1.26 -0.78 115.64 127.90 3i1k s THR 28 Ca 0.49 0.35 -0.24 0.00 0.31 0.00 0.00 61.69 62.60 3i1k s THR 28 Cb -0.12 -3.58 -0.09 0.00 0.01 0.00 0.00 72.50 68.72 3i1k s THR 28 CO 0.19 0.28 1.22 -2.65 -0.69 0.00 0.00 174.62 172.97 3i1k n PRO 29 N 4.59 1.72 -2.85 4.92 -0.02 -1.26 -4.95 135.00 137.15 3i1k n PRO 29 Ca -0.12 0.62 -0.43 0.00 -2.02 0.00 0.00 63.50 61.54 3i1k n PRO 29 Cb 0.52 -2.34 -0.04 0.00 -0.02 0.00 0.00 33.50 31.61 3i1k n PRO 29 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3i1k s HIS 30 N -1.25 2.91 0.10 6.00 2.46 0.17 -4.80 115.29 120.88 3i1k s HIS 30 Ca 0.64 0.29 -0.31 0.00 0.47 0.00 0.00 55.06 56.15 3i1k s HIS 30 Cb -0.49 -3.93 -0.10 0.00 -0.13 0.00 0.00 32.58 27.92 3i1k s HIS 30 CO 0.56 -1.12 1.83 -0.47 -2.47 0.00 0.00 174.74 173.07 3i1k s TYR 31 N 3.71 2.04 0.00 3.88 6.14 -1.25 -1.42 117.35 130.44 3i1k s TYR 31 Ca 0.35 -0.06 0.00 0.00 0.64 0.00 0.00 57.07 58.00 3i1k s TYR 31 Cb -0.11 -4.17 0.00 0.00 0.42 0.00 0.00 41.96 38.10 3i1k s TYR 31 CO 0.25 -4.88 0.00 0.41 0.64 0.00 0.00 175.55 171.97 3i1k n GLY 32 N 4.26 2.45 3.81 8.97 0.00 -1.26 -4.28 105.19 119.14 3i1k n GLY 32 Ca 0.18 -1.93 -0.30 0.00 0.00 0.00 0.00 46.02 43.97 3i1k n GLY 32 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3i1k s PRO 33 N -1.73 1.85 0.33 1.61 0.04 -1.26 -4.06 135.00 131.77 3i1k s PRO 33 Ca 0.00 0.52 -0.14 0.00 0.04 0.00 0.00 61.00 61.42 3i1k s PRO 33 Cb 0.00 -1.90 0.03 0.00 0.04 0.00 0.00 34.50 32.67 3i1k s PRO 33 CO 0.00 -1.76 0.67 0.20 0.04 0.00 0.00 177.00 176.15 3i1k s GLY 34 N -3.98 0.49 -0.04 0.56 0.00 -1.26 -3.72 107.32 99.37 3i1k s GLY 34 Ca 0.62 -0.81 -0.07 0.00 0.00 0.00 0.00 44.72 44.46 3i1k s GLY 34 CO 0.54 -0.44 0.17 -2.38 0.00 0.00 0.00 173.10 170.99 3i1k s HIS 35 N -3.09 -0.12 -0.48 1.90 -3.43 -1.26 -4.95 115.29 103.85 3i1k s HIS 35 Ca 0.18 0.27 0.16 0.00 -0.80 0.00 0.00 55.06 54.87 3i1k s HIS 35 Cb -0.04 0.03 -0.20 0.00 -1.43 0.00 0.00 32.58 30.94 3i1k s HIS 35 CO 0.12 -0.17 0.55 0.44 -2.00 0.00 0.00 174.74 173.68 3i1k n ILE 36 N 2.42 0.00 -4.40 -5.38 -5.35 -1.26 -2.39 119.36 103.00 3i1k n ILE 36 Ca -0.16 -0.22 -0.20 0.00 -0.27 0.00 0.00 62.75 61.90 3i1k n ILE 36 Cb 0.58 0.69 -0.10 0.00 -1.74 0.00 0.00 39.64 39.06 3i1k n ILE 36 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 3i1k s THR 37 N -2.72 0.78 -0.64 7.28 -4.23 -1.26 -4.72 115.64 110.13 3i1k s THR 37 Ca 0.02 -2.00 0.24 0.00 -1.18 0.00 0.00 61.69 58.77 3i1k s THR 37 Cb 0.11 -2.64 0.25 0.00 1.34 0.00 0.00 72.50 71.57 3i1k s THR 37 CO 0.66 0.00 1.73 -2.65 -0.54 0.00 0.00 174.62 173.82 3i1k n PRO 38 N -0.63 0.20 -2.14 3.99 -0.02 -1.26 -4.33 135.00 130.80 3i1k n PRO 38 Ca -0.02 0.31 -0.42 0.00 -2.02 0.00 0.00 63.50 61.35 3i1k n PRO 38 Cb 0.66 -1.80 0.00 0.00 -0.02 0.00 0.00 33.50 32.34 3i1k n PRO 38 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3i1k n ASP 39 N -2.15 4.67 -4.26 2.55 2.03 -1.26 -4.90 116.55 113.22 3i1k n ASP 39 Ca 0.04 -3.01 -0.16 0.00 0.52 0.00 0.00 54.79 52.18 3i1k n ASP 39 Cb 0.31 -1.54 -0.10 0.00 -0.72 0.00 0.00 41.12 39.06 3i1k n ASP 39 CO 0.00 0.00 0.00 -1.66 -1.92 0.00 0.00 177.20 173.62 3i1k s TRP 40 N 1.41 1.37 0.17 -0.67 1.48 -1.26 -1.60 118.94 119.84 3i1k s TRP 40 Ca 0.42 -0.68 -0.09 0.00 -1.06 0.00 0.00 56.10 54.69 3i1k s TRP 40 Cb 0.11 -0.68 -0.01 0.00 -1.16 0.00 0.00 33.47 31.73 3i1k s TRP 40 CO -0.03 0.14 0.29 0.00 -4.06 0.00 0.00 176.95 173.30 3i1k s GLY 42 N -2.98 1.42 -0.05 0.00 0.00 0.17 -0.80 107.32 105.08 3i1k s GLY 42 Ca 0.18 -1.43 0.03 0.00 0.00 0.00 0.00 44.72 43.50 3i1k s GLY 42 CO 0.01 -1.46 -0.13 -1.36 0.00 0.00 0.00 173.10 170.16 3i1k s PHE 43 N -1.58 1.44 0.00 1.90 0.08 -0.24 -0.76 117.98 118.81 3i1k s PHE 43 Ca 0.13 -0.46 0.00 0.00 0.12 0.00 0.00 56.93 56.72 3i1k s PHE 43 Cb -0.08 -1.02 0.00 0.00 -0.57 0.00 0.00 43.02 41.35 3i1k s PHE 43 CO 0.06 -0.20 0.00 0.41 -0.10 0.00 0.00 175.22 175.39 3i1k n GLY 44 N 3.47 2.53 0.00 4.36 0.00 -0.94 0.17 105.19 114.78 3i1k n GLY 44 Ca -0.20 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 44.99 3i1k n GLY 44 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3i1k n ASP 45 N -0.30 0.34 -0.33 1.61 3.85 -1.25 -3.21 116.55 117.27 3i1k n ASP 45 Ca 0.00 0.00 0.22 0.00 -0.71 0.00 0.00 54.79 54.30 3i1k n ASP 45 Cb 0.00 0.00 0.44 0.00 -1.35 0.00 0.00 41.12 40.21 3i1k n ASP 45 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3i1k h ALA 46 N 1.00 1.82 0.00 2.12 0.00 -1.87 -1.76 119.26 120.58 3i1k h ALA 46 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3i1k h ALA 46 Cb 0.00 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3i1k h ALA 46 CO 0.00 -0.58 0.00 0.54 0.00 0.00 0.00 179.25 179.21 3i1k n ARG 47 N -5.11 0.48 -1.02 0.00 1.74 -1.26 -1.89 116.66 109.60 3i1k n ARG 47 Ca 0.30 0.04 0.03 0.00 -0.77 0.00 0.00 57.85 57.45 3i1k n ARG 47 Cb 0.95 -1.50 0.03 0.00 -1.02 0.00 0.00 32.46 30.91 3i1k n ARG 47 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3i1k n SER 48 N -1.09 0.69 -4.17 0.55 3.41 -0.68 -0.89 113.62 111.44 3i1k n SER 48 Ca 0.12 -2.13 -0.36 0.00 -0.26 0.00 0.00 58.87 56.24 3i1k n SER 48 Cb 0.09 -0.28 -0.12 0.00 -0.26 0.00 0.00 64.21 63.64 3i1k n SER 48 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3i1k s ASP 49 N -1.70 5.20 0.00 4.04 2.15 -0.79 -4.73 116.67 120.84 3i1k s ASP 49 Ca 0.21 -1.65 0.23 0.00 0.43 0.00 0.00 52.55 51.76 3i1k s ASP 49 Cb 0.23 -1.82 1.30 0.00 -0.30 0.00 0.00 42.92 42.34 3i1k s ASP 49 CO -0.09 -0.44 1.73 0.00 -0.17 0.00 0.00 175.17 176.20 3i1k n GLY 51 N 0.45 -0.95 3.77 0.00 0.00 -1.26 -4.86 105.19 102.35 3i1k n GLY 51 Ca 0.16 -0.33 -0.40 0.00 0.00 0.00 0.00 46.02 45.44 3i1k n GLY 51 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3i1k s ASN 52 N -2.68 6.83 0.60 1.61 3.84 -1.05 -4.91 114.94 119.19 3i1k s ASN 52 Ca 0.21 2.60 0.36 0.00 0.21 0.00 0.00 52.86 56.23 3i1k s ASN 52 Cb 0.19 -2.64 1.90 0.00 -0.55 0.00 0.00 41.25 40.15 3i1k s ASN 52 CO 0.56 -0.48 2.22 0.11 -2.79 0.00 0.00 177.10 176.71 3i1k h LYS 53 N 3.39 0.00 -0.31 0.43 1.57 -1.91 -2.01 116.57 117.73 3i1k h LYS 53 Ca -0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 3i1k h LYS 53 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 3i1k h LYS 53 CO 0.65 0.03 0.00 0.72 -0.57 0.00 0.00 179.45 180.29 3i1k n HIS 54 N -3.37 0.40 -1.72 -1.35 8.25 -1.26 -4.95 115.22 111.21 3i1k n HIS 54 Ca -0.02 -0.20 -0.42 0.00 -0.26 0.00 0.00 57.72 56.82 3i1k n HIS 54 Cb 0.15 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.25 3i1k n HIS 54 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 3i1k n THR 55 N 1.18 1.77 0.97 1.59 -1.04 -0.76 -0.64 114.28 117.35 3i1k n THR 55 Ca 0.18 -0.44 0.11 0.00 -2.04 0.00 0.00 64.05 61.86 3i1k n THR 55 Cb 0.53 -1.72 0.32 0.00 -1.82 0.00 0.00 70.33 67.64 3i1k n THR 55 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 3i1k n PRO 56 N 0.87 2.01 0.22 -2.82 -0.04 -1.26 -4.88 135.00 129.10 3i1k n PRO 56 Ca 0.05 -1.51 0.10 0.00 -0.04 0.00 0.00 63.50 62.10 3i1k n PRO 56 Cb 0.36 -1.44 0.46 0.00 -0.04 0.00 0.00 33.50 32.84 3i1k n PRO 56 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 3i1k h LYS 57 N 3.13 0.00 -0.14 0.54 1.57 -1.24 -2.69 116.57 117.75 3i1k h LYS 57 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3i1k h LYS 57 Cb 0.68 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.99 3i1k h LYS 57 CO 0.00 0.22 0.00 -1.13 -0.57 0.00 0.00 179.45 177.97 3i1k n SER 58 N -3.39 1.73 -4.83 0.86 3.41 -1.07 -1.38 113.62 108.94 3i1k n SER 58 Ca 0.00 -1.68 -0.37 0.00 -0.26 0.00 0.00 58.87 56.56 3i1k n SER 58 Cb 0.43 -0.09 -0.06 0.00 -0.26 0.00 0.00 64.21 64.24 3i1k n SER 58 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3i1k s LEU 59 N -1.67 4.43 0.00 1.04 1.43 -1.02 -4.20 118.68 118.70 3i1k s LEU 59 Ca 0.34 1.07 0.12 0.00 -1.03 0.00 0.00 54.13 54.64 3i1k s LEU 59 Cb 0.18 -2.96 0.03 0.00 0.03 0.00 0.00 46.19 43.47 3i1k s LEU 59 CO 0.28 0.21 0.78 0.47 0.23 0.00 0.00 176.35 178.32 3i1k n ASP 60 N 1.32 1.59 -4.62 2.29 8.00 -0.06 -4.26 116.55 120.81 3i1k n ASP 60 Ca -0.09 -1.30 -0.23 0.00 0.71 0.00 0.00 54.79 53.88 3i1k n ASP 60 Cb 0.52 0.32 -0.08 0.00 -0.02 0.00 0.00 41.12 41.86 3i1k n ASP 60 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3i1k s ILE 61 N -1.40 3.20 0.41 0.53 -4.36 -1.22 -3.45 121.20 114.91 3i1k s ILE 61 Ca 0.12 -1.98 -0.26 0.00 -0.26 0.00 0.00 60.65 58.27 3i1k s ILE 61 Cb 0.10 -2.77 -0.08 0.00 1.25 0.00 0.00 42.46 40.96 3i1k s ILE 61 CO 0.26 -0.35 1.26 -2.84 0.24 0.00 0.00 174.94 173.51 3i1k s PRO 62 N -3.67 3.98 0.16 0.37 0.02 -1.26 -4.92 135.00 129.68 3i1k s PRO 62 Ca 0.32 2.04 -0.16 0.00 0.02 0.00 0.00 61.00 63.23 3i1k s PRO 62 Cb -0.05 -2.72 0.03 0.00 0.02 0.00 0.00 34.50 31.78 3i1k s PRO 62 CO 0.19 -0.45 1.82 0.37 -0.33 0.00 0.00 177.00 178.60 3i1k h GLN 63 N 2.63 0.55 0.00 5.54 4.15 -2.00 -1.42 115.11 124.57 3i1k h GLN 63 Ca -0.49 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 58.89 3i1k h GLN 63 Cb 1.24 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.81 3i1k h GLN 63 CO 0.62 0.36 0.27 1.05 -1.93 0.00 0.00 178.83 179.21 3i1k h GLU 64 N 0.56 0.00 0.00 1.69 4.11 -2.05 -0.96 114.58 117.94 3i1k h GLU 64 Ca 0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.59 3i1k h GLU 64 Cb -0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.20 3i1k h GLU 64 CO -0.04 0.00 -0.95 1.28 0.07 0.00 0.00 179.01 179.36 3i1k n LEU 65 N -2.43 0.94 -0.32 3.06 4.32 -0.54 -4.42 117.00 117.61 3i1k n LEU 65 Ca -0.01 -0.44 0.20 0.00 -0.02 0.00 0.00 56.01 55.74 3i1k n LEU 65 Cb 0.31 -0.03 0.40 0.00 -1.62 0.00 0.00 43.42 42.48 3i1k n LEU 65 CO 0.10 0.23 0.96 0.00 -1.22 0.00 0.00 177.39 177.46 3i1k h PRO 67 N 0.12 0.00 0.00 0.00 0.11 -1.81 -1.40 132.00 129.02 3i1k h PRO 67 Ca 0.67 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.78 3i1k h PRO 67 Cb 1.53 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.64 3i1k h PRO 67 CO -0.75 0.00 -0.22 1.63 -0.21 0.00 0.00 178.00 178.45 3i1k n LYS 68 N -2.78 0.03 -4.28 1.05 4.76 -0.15 -4.89 118.16 111.91 3i1k n LYS 68 Ca -0.02 0.02 -0.35 0.00 -2.87 0.00 0.00 58.31 55.08 3i1k n LYS 68 Cb 0.08 -1.53 -0.09 0.00 -1.84 0.00 0.00 35.03 31.65 3i1k n LYS 68 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 3i1k s PHE 69 N -3.01 3.24 -0.52 2.13 0.40 -0.53 -0.66 117.98 119.03 3i1k s PHE 69 Ca 0.12 0.24 -0.15 0.00 -0.60 0.00 0.00 56.93 56.54 3i1k s PHE 69 Cb 0.18 -1.83 0.12 0.00 0.51 0.00 0.00 43.02 42.00 3i1k s PHE 69 CO 0.61 0.49 0.46 0.45 0.70 0.00 0.00 175.22 177.93 3i1k s SER 70 N -0.83 6.10 0.04 1.36 0.15 0.06 -4.94 113.70 115.63 3i1k s SER 70 Ca 0.13 -1.74 0.00 0.00 0.70 0.00 0.00 55.95 55.05 3i1k s SER 70 Cb -0.12 -2.17 -0.03 0.00 -1.71 0.00 0.00 66.02 62.00 3i1k s SER 70 CO 0.02 -0.80 -0.04 -0.44 1.20 0.00 0.00 173.24 173.18 3i1k s SER 71 N 3.29 0.48 -0.08 5.45 0.01 -1.26 -2.21 113.70 119.38 3i1k s SER 71 Ca 0.04 -0.63 -0.05 0.00 1.31 0.00 0.00 55.95 56.62 3i1k s SER 71 Cb -0.28 0.10 0.04 0.00 0.21 0.00 0.00 66.02 66.08 3i1k s SER 71 CO 0.03 -0.34 0.19 -0.60 0.41 0.00 0.00 173.24 172.94 3i1k s ARG 72 N -2.05 0.16 0.02 12.44 3.52 -1.20 -4.83 118.95 127.01 3i1k s ARG 72 Ca -0.09 0.42 -0.39 0.00 -0.13 0.00 0.00 55.73 55.54 3i1k s ARG 72 Cb -0.06 -0.10 -0.18 0.00 -1.56 0.00 0.00 34.95 33.04 3i1k s ARG 72 CO -0.02 -0.14 1.23 2.41 -0.81 0.00 0.00 175.30 177.97 3i1k n THR 73 N 3.99 0.01 0.00 4.11 -1.04 -1.26 -1.91 114.28 118.18 3i1k n THR 73 Ca -0.23 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.77 3i1k n THR 73 Cb 0.54 -0.44 0.00 0.00 -1.82 0.00 0.00 70.33 68.61 3i1k n THR 73 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3i1k n GLY 74 N 2.13 2.56 3.91 3.41 0.00 -1.26 -4.79 105.19 111.16 3i1k n GLY 74 Ca 0.20 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.99 3i1k n GLY 74 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i1k s SER 75 N -3.32 4.92 0.23 1.61 0.15 -0.80 -4.50 113.70 111.98 3i1k s SER 75 Ca 0.00 -0.93 -0.14 0.00 0.70 0.00 0.00 55.95 55.58 3i1k s SER 75 Cb 0.00 -0.11 0.00 0.00 -1.71 0.00 0.00 66.02 64.21 3i1k s SER 75 CO 0.00 -0.91 0.48 -0.94 1.20 0.00 0.00 173.24 173.07 3i1k s SER 76 N -4.26 -0.12 0.38 5.45 1.04 -1.26 -4.64 113.70 110.29 3i1k s SER 76 Ca 0.45 -0.82 0.09 0.00 0.48 0.00 0.00 55.95 56.16 3i1k s SER 76 Cb -0.03 0.58 0.77 0.00 0.10 0.00 0.00 66.02 67.43 3i1k s SER 76 CO 0.27 -1.11 1.91 0.24 0.98 0.00 0.00 173.24 175.53 3i1k h MET 77 N 2.26 0.25 -0.29 4.02 0.00 -1.93 -1.32 114.93 117.92 3i1k h MET 77 Ca -0.27 -0.06 -0.14 0.00 0.00 0.00 0.00 59.70 59.24 3i1k h MET 77 Cb 1.25 -0.03 -0.00 0.00 0.00 0.00 0.00 31.60 32.81 3i1k h MET 77 CO 0.36 0.39 -0.35 0.35 0.00 0.00 0.00 176.91 177.66 3i1k h PHE 78 N 0.24 0.92 -0.42 -0.22 3.57 -1.97 -1.83 116.94 117.23 3i1k h PHE 78 Ca 0.05 -0.29 -0.02 0.00 3.53 0.00 0.00 57.97 61.24 3i1k h PHE 78 Cb 0.38 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.91 3i1k h PHE 78 CO 0.01 1.06 0.20 0.82 -2.23 0.00 0.00 178.31 178.17 3i1k h ILE 79 N 0.50 1.18 0.00 1.41 2.04 -1.86 -2.95 117.51 117.84 3i1k h ILE 79 Ca 0.04 -0.50 -0.07 0.00 1.00 0.00 0.00 64.86 65.33 3i1k h ILE 79 Cb 0.94 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.75 3i1k h ILE 79 CO 0.08 0.19 -0.33 0.28 0.00 0.00 0.00 178.15 178.38 3i1k h SER 80 N 0.54 0.00 -0.75 1.72 0.02 -1.23 -0.96 113.55 112.88 3i1k h SER 80 Ca 0.14 0.00 0.08 0.00 -0.84 0.00 0.00 61.79 61.17 3i1k h SER 80 Cb 0.12 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.61 3i1k h SER 80 CO -0.02 0.33 0.50 -0.03 -1.14 0.00 0.00 176.83 176.47 3i1k h MET 81 N 0.00 0.73 0.00 3.45 1.85 -1.15 -3.37 114.93 116.44 3i1k h MET 81 Ca -0.00 -0.04 -0.16 0.00 -0.61 0.00 0.00 59.70 58.88 3i1k h MET 81 Cb 0.76 -0.16 -0.03 0.00 0.43 0.00 0.00 31.60 32.59 3i1k h MET 81 CO 0.04 0.48 -1.66 0.72 -0.40 0.00 0.00 176.91 176.09 3i1k n HIS 82 N -4.49 0.00 -4.45 1.39 8.25 -0.57 -4.61 115.22 110.74 3i1k n HIS 82 Ca 0.12 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.38 3i1k n HIS 82 Cb 0.27 -0.46 -0.15 0.00 1.12 0.00 0.00 29.99 30.76 3i1k n HIS 82 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3i1k s TRP 83 N -2.29 0.95 0.99 4.41 0.51 -0.47 -0.09 118.94 122.95 3i1k s TRP 83 Ca -0.05 -0.19 -0.15 0.00 -2.12 0.00 0.00 56.10 53.60 3i1k s TRP 83 Cb 0.03 -0.62 0.19 0.00 -0.81 0.00 0.00 33.47 32.26 3i1k s TRP 83 CO 0.41 -0.02 1.18 -0.80 -0.51 0.00 0.00 176.95 177.21 3i1k s ASN 84 N -0.21 2.86 0.32 2.95 0.01 -1.26 -4.54 114.94 115.07 3i1k s ASN 84 Ca 0.03 0.69 -0.29 0.00 -0.71 0.00 0.00 52.86 52.58 3i1k s ASN 84 Cb -0.04 -1.03 -0.11 0.00 0.41 0.00 0.00 41.25 40.47 3i1k s ASN 84 CO -0.00 -2.93 1.57 0.20 -1.51 0.00 0.00 177.10 174.43 3i1k s ASN 85 N -4.26 6.34 0.00 -1.22 0.01 -1.26 -4.66 114.94 109.89 3i1k s ASN 85 Ca 0.68 3.00 0.00 0.00 -0.71 0.00 0.00 52.86 55.83 3i1k s ASN 85 Cb -0.10 -2.65 0.00 0.00 0.41 0.00 0.00 41.25 38.91 3i1k s ASN 85 CO 0.54 -0.92 0.00 0.61 -1.51 0.00 0.00 177.10 175.82 3i1k n GLY 86 N 1.65 2.85 4.50 0.66 0.00 -0.26 -4.97 105.19 109.61 3i1k n GLY 86 Ca 0.06 -1.97 -0.40 0.00 0.00 0.00 0.00 46.02 43.71 3i1k n GLY 86 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3i1k n SER 87 N 0.00 -1.23 0.00 1.61 7.64 -1.26 -0.62 113.62 119.76 3i1k n SER 87 Ca 0.00 -1.25 0.00 0.00 1.01 0.00 0.00 58.87 58.63 3i1k n SER 87 Cb 0.00 -1.61 0.00 0.00 -1.01 0.00 0.00 64.21 61.59 3i1k n SER 87 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i1k n GLY 88 N -1.40 0.84 3.77 0.23 0.00 -1.26 -4.84 105.19 102.53 3i1k n GLY 88 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 3i1k n GLY 88 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i1k s PHE 89 N -2.50 3.44 -0.34 1.61 0.40 0.21 -5.08 117.98 115.73 3i1k s PHE 89 Ca 0.00 0.36 -0.09 0.00 -0.60 0.00 0.00 56.93 56.60 3i1k s PHE 89 Cb 0.00 -2.05 0.02 0.00 0.51 0.00 0.00 43.02 41.50 3i1k s PHE 89 CO 0.00 0.44 0.14 -0.51 0.70 0.00 0.00 175.22 175.99 3i1k s ASP 90 N -0.19 5.45 0.15 1.36 1.01 -1.26 -1.10 116.67 122.09 3i1k s ASP 90 Ca 0.10 -0.89 0.02 0.00 0.71 0.00 0.00 52.55 52.49 3i1k s ASP 90 Cb -0.12 -1.95 -0.04 0.00 1.01 0.00 0.00 42.92 41.83 3i1k s ASP 90 CO 0.01 -0.29 0.30 0.00 0.21 0.00 0.00 175.17 175.39 3i1k s ALA 91 N 1.51 3.95 -0.14 5.23 0.00 -1.26 -4.11 121.76 126.94 3i1k s ALA 91 Ca 0.02 -0.97 -0.12 0.00 0.00 0.00 0.00 51.96 50.89 3i1k s ALA 91 Cb -0.18 -1.83 0.04 0.00 0.00 0.00 0.00 23.12 21.15 3i1k s ALA 91 CO 0.05 0.55 0.36 0.12 0.00 0.00 0.00 175.76 176.84 3i1k s PHE 92 N -1.74 -0.41 -1.30 0.00 5.99 -1.26 -4.88 117.98 114.37 3i1k s PHE 92 Ca 0.35 0.99 -0.13 0.00 0.00 0.00 0.00 56.93 58.14 3i1k s PHE 92 Cb -0.11 0.15 0.12 0.00 0.00 0.00 0.00 43.02 43.18 3i1k s PHE 92 CO 0.28 -0.21 1.78 -0.25 -0.00 0.00 0.00 175.22 176.82 3i1k n ASP 93 N 3.11 4.87 -4.63 6.13 8.00 -1.26 -4.84 116.55 127.93 3i1k n ASP 93 Ca -0.15 -2.98 -0.46 0.00 0.71 0.00 0.00 54.79 51.92 3i1k n ASP 93 Cb 0.57 -1.60 -0.03 0.00 -0.02 0.00 0.00 41.12 40.04 3i1k n ASP 93 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3i1k n TYR 94 N 5.84 1.72 -3.31 1.24 4.01 -1.26 -4.81 117.16 120.59 3i1k n TYR 94 Ca 0.43 0.57 0.02 0.00 -0.16 0.00 0.00 57.90 58.77 3i1k n TYR 94 Cb 0.41 -2.36 -0.02 0.00 -0.31 0.00 0.00 39.34 37.06 3i1k n TYR 94 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3i1k s SER 95 N -0.00 -1.18 0.05 7.72 0.15 -1.26 -1.16 113.70 118.02 3i1k s SER 95 Ca 0.67 1.03 -0.27 0.00 0.70 0.00 0.00 55.95 58.08 3i1k s SER 95 Cb -0.72 2.11 0.08 0.00 -1.71 0.00 0.00 66.02 65.78 3i1k s SER 95 CO 0.53 -0.22 0.72 0.21 1.20 0.00 0.00 173.24 175.68 3i1k s ASN 96 N 2.85 -0.52 -0.04 5.45 3.84 -0.60 -4.74 114.94 121.17 3i1k s ASN 96 Ca 0.10 0.18 0.03 0.00 0.21 0.00 0.00 52.86 53.37 3i1k s ASN 96 Cb -0.13 0.51 0.00 0.00 -0.55 0.00 0.00 41.25 41.09 3i1k s ASN 96 CO -0.19 -0.76 -0.12 0.00 -2.79 0.00 0.00 177.10 173.23 3i1k s GLY 98 N 0.30 0.12 0.25 0.00 0.00 -0.29 -4.37 107.32 103.34 3i1k s GLY 98 Ca -0.07 3.00 0.02 0.00 0.00 0.00 0.00 44.72 47.67 3i1k s GLY 98 CO 0.02 1.55 1.64 -2.08 0.00 0.00 0.00 173.10 174.22 3i1k h VAL 99 N 2.75 1.30 -3.10 1.40 2.07 -1.54 -3.42 116.25 115.72 3i1k h VAL 99 Ca -0.20 -1.54 -0.67 0.00 0.82 0.00 0.00 66.70 65.11 3i1k h VAL 99 Cb 1.19 1.59 -0.12 0.00 -1.52 0.00 0.00 31.29 32.43 3i1k h VAL 99 CO 0.20 0.48 -0.58 -1.61 0.02 0.00 0.00 177.57 176.08 3i1k s GLU 100 N -4.22 3.11 -0.01 1.57 2.02 -1.06 -4.79 118.70 115.33 3i1k s GLU 100 Ca -0.06 -0.36 0.01 0.00 0.02 0.00 0.00 54.97 54.58 3i1k s GLU 100 Cb 0.13 -2.91 0.00 0.00 0.10 0.00 0.00 34.13 31.46 3i1k s GLU 100 CO 0.80 0.71 -0.04 0.15 0.02 0.00 0.00 175.26 176.91 3i1k s LYS 101 N -1.13 0.38 -0.17 1.61 1.02 -1.26 -1.12 119.74 119.07 3i1k s LYS 101 Ca 0.16 -0.11 0.01 0.00 0.02 0.00 0.00 55.97 56.05 3i1k s LYS 101 Cb -0.12 -0.40 0.02 0.00 -0.52 0.00 0.00 37.83 36.81 3i1k s LYS 101 CO 0.06 0.04 -0.17 0.08 -0.92 0.00 0.00 175.35 174.43 3i1k s VAL 102 N 0.18 1.88 -0.20 3.17 1.01 0.02 -1.09 120.40 125.37 3i1k s VAL 102 Ca -0.02 -0.87 -0.08 0.00 0.00 0.00 0.00 61.98 61.01 3i1k s VAL 102 Cb -0.05 -1.75 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 3i1k s VAL 102 CO -0.00 0.47 0.09 -0.36 0.00 0.00 0.00 175.10 175.29 3i1k s PHE 103 N 1.35 3.26 -0.41 5.22 0.08 0.54 -1.08 117.98 126.94 3i1k s PHE 103 Ca 0.04 0.08 0.05 0.00 0.12 0.00 0.00 56.93 57.22 3i1k s PHE 103 Cb -0.13 -2.14 0.19 0.00 -0.57 0.00 0.00 43.02 40.36 3i1k s PHE 103 CO -0.12 0.10 0.42 0.98 -0.10 0.00 0.00 175.22 176.50 3i1k n TYR 104 N 3.83 -1.08 -3.82 0.36 9.36 0.13 -1.46 117.16 124.48 3i1k n TYR 104 Ca -0.16 -3.19 -0.06 0.00 3.32 0.00 0.00 57.90 57.82 3i1k n TYR 104 Cb 0.52 0.24 -0.01 0.00 -0.63 0.00 0.00 39.34 39.46 3i1k n TYR 104 CO 0.00 0.00 0.00 -1.83 0.22 0.00 0.00 176.86 175.25 3i1k s GLU 105 N -0.15 1.60 0.00 2.98 4.04 -1.26 -3.78 118.70 122.13 3i1k s GLU 105 Ca 0.33 -0.91 0.00 0.00 0.04 0.00 0.00 54.97 54.43 3i1k s GLU 105 Cb 0.07 0.52 0.00 0.00 0.02 0.00 0.00 34.13 34.75 3i1k s GLU 105 CO -0.17 -0.74 0.00 0.41 -1.84 0.00 0.00 175.26 172.92 3i1k n GLY 106 N -0.49 1.27 0.29 -3.83 0.00 -1.26 -4.77 105.19 96.39 3i1k n GLY 106 Ca -0.05 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.99 3i1k n GLY 106 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3i1k h VAL 107 N 0.00 1.15 0.00 1.61 3.04 -1.91 -2.67 116.25 117.48 3i1k h VAL 107 Ca 0.00 -0.52 0.00 0.00 -1.01 0.00 0.00 66.70 65.17 3i1k h VAL 107 Cb 0.00 0.77 0.00 0.00 -2.01 0.00 0.00 31.29 30.05 3i1k h VAL 107 CO 0.00 0.19 0.00 0.59 -1.01 0.00 0.00 177.57 177.34 3i1k n ASN 108 N -4.37 0.13 -3.82 3.17 3.02 -1.26 -2.30 115.26 109.83 3i1k n ASN 108 Ca 0.02 0.55 -0.30 0.00 -0.03 0.00 0.00 54.58 54.83 3i1k n ASN 108 Cb 0.16 -0.57 -0.10 0.00 -0.61 0.00 0.00 39.78 38.67 3i1k n ASN 108 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 3i1k n PHE 109 N -1.66 3.51 -4.19 3.10 7.35 -1.01 -4.93 117.46 119.63 3i1k n PHE 109 Ca 0.01 -4.20 -0.27 0.00 -0.76 0.00 0.00 57.45 52.23 3i1k n PHE 109 Cb 0.06 -0.72 -0.05 0.00 0.35 0.00 0.00 39.48 39.12 3i1k n PHE 109 CO 0.00 0.00 0.00 -1.12 -0.76 0.00 0.00 176.76 174.88 3i1k s SER 110 N -1.51 4.43 0.65 -2.13 0.01 -0.97 -4.95 113.70 109.21 3i1k s SER 110 Ca 0.29 -1.26 0.34 0.00 1.31 0.00 0.00 55.95 56.64 3i1k s SER 110 Cb 0.00 0.03 1.89 0.00 0.21 0.00 0.00 66.02 68.15 3i1k s SER 110 CO -0.12 -0.79 2.11 -0.65 0.41 0.00 0.00 173.24 174.20 3i1k h PRO 111 N 1.19 0.00 -0.96 12.44 0.11 -1.83 -1.51 132.00 141.45 3i1k h PRO 111 Ca -0.41 0.00 0.19 0.00 0.11 0.00 0.00 66.00 65.89 3i1k h PRO 111 Cb 1.28 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.31 3i1k h PRO 111 CO 0.67 0.00 0.61 1.25 -0.21 0.00 0.00 178.00 180.32 3i1k h HIS 112 N 0.00 0.85 -0.11 0.65 -0.00 -1.83 -0.11 115.15 114.61 3i1k h HIS 112 Ca 0.03 0.03 0.03 0.00 -0.00 0.00 0.00 60.37 60.46 3i1k h HIS 112 Cb 0.43 -0.26 -0.00 0.00 -0.00 0.00 0.00 27.41 27.58 3i1k h HIS 112 CO 0.00 0.23 0.12 -0.09 -0.00 0.00 0.00 177.93 178.18 3i1k h ARG 113 N 0.64 0.00 -6.16 5.26 2.43 -1.59 -3.47 114.38 111.49 3i1k h ARG 113 Ca 0.52 0.00 -0.44 0.00 -0.81 0.00 0.00 59.98 59.25 3i1k h ARG 113 Cb 0.96 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 30.53 3i1k h ARG 113 CO -0.28 0.00 -0.79 0.09 -1.51 0.00 0.00 179.97 177.48 3i1k n ASN 114 N -3.84 -3.03 -4.82 -3.80 3.02 -0.06 -4.98 115.26 97.76 3i1k n ASN 114 Ca -0.00 -0.78 -0.36 0.00 -0.03 0.00 0.00 54.58 53.40 3i1k n ASN 114 Cb 0.22 -4.07 -0.07 0.00 -0.61 0.00 0.00 39.78 35.26 3i1k n ASN 114 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3i1k s TYR 115 N -3.49 3.48 -0.00 3.10 5.04 -1.26 -4.98 117.35 119.24 3i1k s TYR 115 Ca 0.32 0.43 -0.16 0.00 -2.44 0.00 0.00 57.07 55.21 3i1k s TYR 115 Cb -0.16 -1.93 0.03 0.00 0.35 0.00 0.00 41.96 40.25 3i1k s TYR 115 CO 0.81 0.63 0.35 -0.08 -1.34 0.00 0.00 175.55 175.92 3i1k s THR 116 N -0.85 0.06 -0.14 4.34 -1.32 -1.26 -3.90 115.64 112.57 3i1k s THR 116 Ca 0.14 -0.47 -0.08 0.00 -1.21 0.00 0.00 61.69 60.07 3i1k s THR 116 Cb -0.12 -0.74 -0.06 0.00 -1.51 0.00 0.00 72.50 70.08 3i1k s THR 116 CO 0.03 -0.26 -0.19 0.00 -2.21 0.00 0.00 174.62 171.99 3i1k n TYR 118 N -3.70 0.00 -0.51 0.00 4.02 -1.26 -0.75 117.16 114.96 3i1k n TYR 118 Ca -0.27 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 57.72 3i1k n TYR 118 Cb 0.67 0.00 0.34 0.00 -0.02 0.00 0.00 39.34 40.33 3i1k n TYR 118 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 3i1k n GLN 119 N 0.00 3.30 0.25 -0.72 3.00 0.26 -4.39 117.38 119.07 3i1k n GLN 119 Ca 0.00 -2.78 0.10 0.00 -0.01 0.00 0.00 57.00 54.30 3i1k n GLN 119 Cb 0.00 -1.75 0.64 0.00 0.00 0.00 0.00 30.24 29.13 3i1k n GLN 119 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.06 178.11 3i1k h GLU 120 N 4.12 0.00 0.00 -1.09 9.09 -1.93 -3.47 114.58 121.30 3i1k h GLU 120 Ca 0.00 0.00 0.16 0.00 0.05 0.00 0.00 59.36 59.57 3i1k h GLU 120 Cb 1.25 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 28.31 3i1k h GLU 120 CO 0.13 0.15 -0.21 0.41 0.05 0.00 0.00 179.01 179.54 3i1k n GLY 121 N -0.78 -1.86 0.33 1.06 0.00 -1.26 -2.54 105.19 100.15 3i1k n GLY 121 Ca -0.02 -1.27 0.08 0.00 0.00 0.00 0.00 46.02 44.81 3i1k n GLY 121 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3i1k h SER 122 N -0.54 0.70 0.19 1.61 0.02 -1.95 -2.67 113.55 110.92 3i1k h SER 122 Ca 0.01 0.08 -0.10 0.00 -0.84 0.00 0.00 61.79 60.94 3i1k h SER 122 Cb 0.53 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.01 3i1k h SER 122 CO 0.00 0.31 -0.39 0.77 -1.14 0.00 0.00 176.83 176.39 3i1k h SER 123 N 0.76 0.27 -0.32 3.07 4.64 -1.93 -1.07 113.55 118.97 3i1k h SER 123 Ca 0.50 -0.11 -0.04 0.00 -0.47 0.00 0.00 61.79 61.67 3i1k h SER 123 Cb 0.67 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.66 3i1k h SER 123 CO -0.34 0.64 0.07 1.23 -0.87 0.00 0.00 176.83 177.56 3i1k h GLY 124 N 1.17 0.66 1.69 -0.77 0.00 -1.19 -1.18 103.07 103.46 3i1k h GLY 124 Ca 0.02 -0.36 -0.18 0.00 0.00 0.00 0.00 47.33 46.81 3i1k h GLY 124 CO 0.06 0.34 -0.76 1.49 0.00 0.00 0.00 176.54 177.67 3i1k h TRP 125 N 0.59 0.41 -0.35 5.60 4.06 -1.30 -1.91 115.95 123.05 3i1k h TRP 125 Ca 0.13 -0.19 0.05 0.00 2.06 0.00 0.00 58.89 60.94 3i1k h TRP 125 Cb 0.27 -0.06 -0.04 0.00 -1.00 0.00 0.00 29.16 28.33 3i1k h TRP 125 CO 0.01 0.95 0.09 0.28 -3.56 0.00 0.00 178.44 176.21 3i1k h VAL 126 N 0.19 0.86 -0.10 1.49 2.07 -0.83 0.26 116.25 120.18 3i1k h VAL 126 Ca -0.03 -0.08 0.01 0.00 0.82 0.00 0.00 66.70 67.42 3i1k h VAL 126 Cb 1.34 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 3i1k h VAL 126 CO 0.12 0.04 0.03 0.28 0.02 0.00 0.00 177.57 178.06 3i1k h SER 127 N 0.22 0.02 -0.81 0.57 0.02 -1.13 0.06 113.55 112.51 3i1k h SER 127 Ca 0.16 0.01 0.11 0.00 -0.84 0.00 0.00 61.79 61.23 3i1k h SER 127 Cb 0.16 0.01 -0.08 0.00 0.14 0.00 0.00 62.40 62.64 3i1k h SER 127 CO -0.19 0.03 0.44 0.78 -1.14 0.00 0.00 176.83 176.75 3i1k h ASN 128 N 0.07 0.60 -0.47 3.07 2.35 -1.14 -1.43 115.58 118.63 3i1k h ASN 128 Ca 0.04 0.06 -0.00 0.00 -0.55 0.00 0.00 56.30 55.85 3i1k h ASN 128 Cb 0.03 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 3i1k h ASN 128 CO -0.05 0.32 0.28 0.50 -1.65 0.00 0.00 177.43 176.84 3i1k h LYS 129 N 0.72 0.63 -0.49 0.81 3.64 -0.41 -0.70 116.57 120.77 3i1k h LYS 129 Ca 0.40 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.72 3i1k h LYS 129 Cb 0.43 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.09 3i1k h LYS 129 CO -0.28 0.46 0.29 0.28 -2.27 0.00 0.00 179.45 177.93 3i1k h VAL 130 N 0.62 1.15 -0.54 2.00 2.07 -0.63 -1.06 116.25 119.86 3i1k h VAL 130 Ca 0.17 -0.35 0.03 0.00 0.82 0.00 0.00 66.70 67.37 3i1k h VAL 130 Cb -0.01 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 30.22 3i1k h VAL 130 CO -0.03 0.16 0.31 1.23 0.02 0.00 0.00 177.57 179.25 3i1k h GLY 131 N 0.65 0.77 0.80 2.17 0.00 -0.96 -0.13 103.07 106.37 3i1k h GLY 131 Ca 0.17 -0.22 -0.02 0.00 0.00 0.00 0.00 47.33 47.26 3i1k h GLY 131 CO -0.03 0.17 -0.19 -2.75 0.00 0.00 0.00 176.54 173.74 3i1k h PHE 132 N 0.60 -0.49 -0.42 5.60 3.57 -0.87 -2.71 116.94 122.23 3i1k h PHE 132 Ca 0.23 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.67 3i1k h PHE 132 Cb 0.08 0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 3i1k h PHE 132 CO -0.08 -0.20 0.07 1.88 -2.23 0.00 0.00 178.31 177.75 3i1k h TYR 133 N -0.73 0.65 -0.50 0.41 0.05 -1.16 0.04 116.97 115.74 3i1k h TYR 133 Ca -0.05 -0.06 0.04 0.00 0.05 0.00 0.00 58.73 58.71 3i1k h TYR 133 Cb 0.51 -0.19 -0.04 0.00 1.01 0.00 0.00 36.73 38.02 3i1k h TYR 133 CO -0.00 0.58 0.26 0.77 -1.05 0.00 0.00 178.16 178.72 3i1k h SER 134 N 0.61 0.38 -0.22 3.88 0.02 -1.02 -0.65 113.55 116.56 3i1k h SER 134 Ca 0.14 0.02 -0.11 0.00 -0.84 0.00 0.00 61.79 61.00 3i1k h SER 134 Cb 0.29 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 62.77 3i1k h SER 134 CO 0.00 0.27 -0.29 0.50 -1.14 0.00 0.00 176.83 176.17 3i1k h LYS 135 N 0.51 0.58 -0.02 3.45 1.63 -1.14 -2.56 116.57 119.02 3i1k h LYS 135 Ca 0.21 -0.33 0.01 0.00 -0.85 0.00 0.00 60.65 59.69 3i1k h LYS 135 Cb 0.11 0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 31.75 3i1k h LYS 135 CO -0.14 0.94 -0.05 1.25 -3.45 0.00 0.00 179.45 177.99 3i1k h LEU 136 N 0.26 -0.16 -0.68 5.20 5.85 -0.81 -0.95 115.31 124.02 3i1k h LEU 136 Ca 0.02 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 3i1k h LEU 136 Cb 0.87 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.94 3i1k h LEU 136 CO 0.07 -0.08 0.29 1.88 -0.34 0.00 0.00 178.44 180.26 3i1k h TYR 137 N -0.08 1.02 -0.22 1.25 0.05 -1.17 0.13 116.97 117.95 3i1k h TYR 137 Ca 0.03 -0.07 -0.09 0.00 0.05 0.00 0.00 58.73 58.65 3i1k h TYR 137 Cb 0.13 -0.31 -0.00 0.00 1.01 0.00 0.00 36.73 37.55 3i1k h TYR 137 CO -0.14 0.78 -0.22 0.66 -1.05 0.00 0.00 178.16 178.19 3i1k h SER 138 N 0.96 0.58 -0.48 3.88 4.64 -1.36 -2.48 113.55 119.30 3i1k h SER 138 Ca 0.23 -0.48 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 3i1k h SER 138 Cb 0.18 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.08 3i1k h SER 138 CO -0.02 0.94 0.31 0.24 -0.87 0.00 0.00 176.83 177.43 3i1k h MET 139 N 0.24 0.64 -0.55 4.77 2.86 -1.10 -3.04 114.93 118.74 3i1k h MET 139 Ca 0.04 -0.04 0.09 0.00 -2.06 0.00 0.00 59.70 57.72 3i1k h MET 139 Cb 0.78 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 32.26 3i1k h MET 139 CO 0.06 0.43 0.37 0.00 1.06 0.00 0.00 176.91 178.83 3i1k h ALA 140 N 1.17 2.00 0.00 6.32 0.00 -0.67 -2.14 119.26 125.94 3i1k h ALA 140 Ca 0.18 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3i1k h ALA 140 Cb -0.06 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 3i1k h ALA 140 CO -0.04 -0.11 -0.09 0.66 0.00 0.00 0.00 179.25 179.67 3i1k h SER 141 N 0.40 0.00 -0.44 0.00 4.64 -1.32 -2.34 113.55 114.49 3i1k h SER 141 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 3i1k h SER 141 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 3i1k h SER 141 CO -0.07 0.09 0.00 0.35 -0.87 0.00 0.00 176.83 176.33 3i1k n THR 142 N -3.36 1.93 -4.28 2.95 -2.24 -0.81 -1.73 114.28 106.74 3i1k n THR 142 Ca -0.01 -1.42 -0.19 0.00 -2.27 0.00 0.00 64.05 60.16 3i1k n THR 142 Cb 0.27 0.03 -0.11 0.00 -2.10 0.00 0.00 70.33 68.41 3i1k n THR 142 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3i1k s SER 143 N -1.28 2.24 -0.23 3.42 0.01 -0.88 -0.98 113.70 116.00 3i1k s SER 143 Ca 0.42 -0.86 -0.12 0.00 1.31 0.00 0.00 55.95 56.71 3i1k s SER 143 Cb 0.30 -0.10 -0.10 0.00 0.21 0.00 0.00 66.02 66.33 3i1k s SER 143 CO 0.16 -0.13 -0.30 -1.14 0.41 0.00 0.00 173.24 172.24 3i1k n ARG 144 N 0.31 0.49 -4.07 12.44 0.63 -1.26 -4.67 116.66 120.53 3i1k n ARG 144 Ca -0.14 0.22 -0.36 0.00 -0.92 0.00 0.00 57.85 56.65 3i1k n ARG 144 Cb 0.58 -1.32 -0.07 0.00 0.45 0.00 0.00 32.46 32.09 3i1k n ARG 144 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3i1k s ILE 146 N -1.02 -0.01 -0.19 0.00 1.01 -0.46 -2.81 121.20 117.72 3i1k s ILE 146 Ca 0.16 0.19 -0.20 0.00 0.00 0.00 0.00 60.65 60.80 3i1k s ILE 146 Cb -0.12 -0.12 0.05 0.00 0.01 0.00 0.00 42.46 42.29 3i1k s ILE 146 CO 0.05 0.10 0.56 -1.59 0.00 0.00 0.00 174.94 174.07 3i1k s LYS 147 N 1.07 0.69 0.09 2.79 -2.85 -0.42 -1.56 119.74 119.54 3i1k s LYS 147 Ca -0.09 0.70 -0.30 0.00 -1.00 0.00 0.00 55.97 55.28 3i1k s LYS 147 Cb -0.13 0.33 -0.06 0.00 -2.06 0.00 0.00 37.83 35.91 3i1k s LYS 147 CO -0.03 -0.10 1.15 -1.17 0.10 0.00 0.00 175.35 175.30 3i1k s LEU 148 N 0.12 4.40 0.11 2.77 2.96 -0.31 0.11 118.68 128.85 3i1k s LEU 148 Ca -0.01 2.00 0.06 0.00 -0.22 0.00 0.00 54.13 55.96 3i1k s LEU 148 Cb -0.04 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 43.03 3i1k s LEU 148 CO 0.02 -0.38 -0.16 0.27 -1.32 0.00 0.00 176.35 174.78 3i1k s ILE 149 N 0.68 1.42 -0.07 6.68 -4.36 0.08 -4.82 121.20 120.80 3i1k s ILE 149 Ca 0.55 -1.61 -0.18 0.00 -0.26 0.00 0.00 60.65 59.15 3i1k s ILE 149 Cb -0.29 -1.47 -0.05 0.00 1.25 0.00 0.00 42.46 41.91 3i1k s ILE 149 CO 0.31 -0.29 0.48 0.20 0.24 0.00 0.00 174.94 175.87 3i1k s ASN 150 N -2.21 6.76 0.33 4.36 0.01 -1.26 -2.39 114.94 120.54 3i1k s ASN 150 Ca 0.07 0.90 -0.11 0.00 -0.71 0.00 0.00 52.86 53.01 3i1k s ASN 150 Cb -0.07 -2.29 -0.07 0.00 0.41 0.00 0.00 41.25 39.23 3i1k s ASN 150 CO 0.04 0.10 0.68 -0.76 -1.51 0.00 0.00 177.10 175.65 3i1k s LEU 151 N 0.07 3.99 0.52 0.60 1.02 0.36 -4.96 118.68 120.28 3i1k s LEU 151 Ca 0.26 1.07 -0.22 0.00 0.02 0.00 0.00 54.13 55.26 3i1k s LEU 151 Cb -0.16 -3.89 -0.06 0.00 0.02 0.00 0.00 46.19 42.10 3i1k s LEU 151 CO 0.12 -0.25 1.25 -1.81 0.02 0.00 0.00 176.35 175.67 3i1k s ASP 152 N -2.76 5.62 0.76 2.29 1.01 -1.26 -4.88 116.67 117.44 3i1k s ASP 152 Ca 0.50 2.49 -0.15 0.00 0.71 0.00 0.00 52.55 56.10 3i1k s ASP 152 Cb -0.10 -2.61 0.04 0.00 1.01 0.00 0.00 42.92 41.25 3i1k s ASP 152 CO 0.25 -1.31 1.11 -0.81 0.21 0.00 0.00 175.17 174.63 3i1k n PRO 153 N -0.93 0.44 -1.61 8.23 -0.04 -1.26 -4.78 135.00 135.05 3i1k n PRO 153 Ca 0.10 0.22 -0.29 0.00 -0.04 0.00 0.00 63.50 63.48 3i1k n PRO 153 Cb 0.47 -2.36 0.17 0.00 -0.04 0.00 0.00 33.50 31.74 3i1k n PRO 153 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 3i1k s PRO 154 N -3.70 0.59 0.48 0.54 0.04 -1.26 -4.93 135.00 126.76 3i1k s PRO 154 Ca 0.75 -0.03 -0.24 0.00 0.04 0.00 0.00 61.00 61.52 3i1k s PRO 154 Cb -0.32 -1.80 -0.07 0.00 0.04 0.00 0.00 34.50 32.34 3i1k s PRO 154 CO 0.49 -2.51 1.38 0.25 0.04 0.00 0.00 177.00 176.66 3i1k n THR 155 N -3.92 3.13 -1.89 1.26 -2.24 -0.84 -4.90 114.28 104.88 3i1k n THR 155 Ca 0.11 -0.50 -0.37 0.00 -2.27 0.00 0.00 64.05 61.02 3i1k n THR 155 Cb 0.60 -1.74 0.05 0.00 -2.10 0.00 0.00 70.33 67.13 3i1k n THR 155 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3i1k s ASN 156 N -0.63 4.97 0.15 3.42 3.84 -1.26 -4.72 114.94 120.71 3i1k s ASN 156 Ca 0.65 2.52 -0.18 0.00 0.21 0.00 0.00 52.86 56.06 3i1k s ASN 156 Cb -0.44 -2.61 0.04 0.00 -0.55 0.00 0.00 41.25 37.69 3i1k s ASN 156 CO 0.55 -1.75 0.48 0.72 -2.79 0.00 0.00 177.10 174.30 3i1k s PHE 157 N -1.48 -0.24 0.37 0.43 -0.71 -1.26 -5.06 117.98 110.03 3i1k s PHE 157 Ca 0.79 -0.06 0.05 0.00 -1.04 0.00 0.00 56.93 56.67 3i1k s PHE 157 Cb -0.34 0.36 -0.03 0.00 -1.21 0.00 0.00 43.02 41.80 3i1k s PHE 157 CO 0.37 -0.79 0.17 0.95 -1.34 0.00 0.00 175.22 174.58 3i1k s THR 158 N -3.81 0.40 -1.07 -4.49 -4.23 -1.26 -4.94 115.64 96.24 3i1k s THR 158 Ca 0.04 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.41 3i1k s THR 158 Cb 0.00 -2.41 -0.03 0.00 1.34 0.00 0.00 72.50 71.41 3i1k s THR 158 CO -0.10 0.00 0.82 0.59 -0.54 0.00 0.00 174.62 175.39 3i1k n ASN 159 N -1.31 -5.89 -3.72 3.99 3.02 -1.26 -4.89 115.26 105.19 3i1k n ASN 159 Ca -0.02 -0.86 -0.10 0.00 -0.03 0.00 0.00 54.58 53.57 3i1k n ASN 159 Cb 0.64 -3.98 -0.04 0.00 -0.61 0.00 0.00 39.78 35.79 3i1k n ASN 159 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 3i1k s TYR 160 N -3.39 0.52 0.12 3.10 -0.85 -1.26 -1.14 117.35 114.45 3i1k s TYR 160 Ca 0.42 -0.88 -0.01 0.00 -0.52 0.00 0.00 57.07 56.09 3i1k s TYR 160 Cb -0.12 0.18 -0.04 0.00 0.38 0.00 0.00 41.96 42.36 3i1k s TYR 160 CO 0.82 -1.08 0.03 -0.98 -1.52 0.00 0.00 175.55 172.82 3i1k s ARG 161 N -3.63 0.90 0.38 -3.49 1.70 -0.45 -4.91 118.95 109.45 3i1k s ARG 161 Ca 0.24 -1.41 -0.23 0.00 -0.47 0.00 0.00 55.73 53.86 3i1k s ARG 161 Cb -0.01 0.15 -0.10 0.00 -0.57 0.00 0.00 34.95 34.42 3i1k s ARG 161 CO 0.12 -0.21 0.93 -0.80 -1.08 0.00 0.00 175.30 174.26 3i1k s ASN 162 N -3.05 7.10 0.67 -2.89 0.01 -1.26 -0.77 114.94 114.76 3i1k s ASN 162 Ca 0.21 1.73 -0.14 0.00 -0.71 0.00 0.00 52.86 53.95 3i1k s ASN 162 Cb 0.07 -2.55 0.01 0.00 0.41 0.00 0.00 41.25 39.19 3i1k s ASN 162 CO -0.00 -0.22 1.10 -0.83 -1.51 0.00 0.00 177.10 175.64 3i1k s GLY 163 N -1.93 2.03 0.15 0.66 0.00 0.22 -4.85 107.32 103.59 3i1k s GLY 163 Ca 0.56 0.45 0.02 0.00 0.00 0.00 0.00 44.72 45.75 3i1k s GLY 163 CO 0.18 0.79 -0.02 -0.51 0.00 0.00 0.00 173.10 173.55 3i1k s THR 164 N -2.50 0.68 0.21 0.90 -4.23 -1.26 -4.85 115.64 104.59 3i1k s THR 164 Ca 0.65 -1.97 -0.10 0.00 -1.18 0.00 0.00 61.69 59.09 3i1k s THR 164 Cb -0.19 -1.99 -0.07 0.00 1.34 0.00 0.00 72.50 71.59 3i1k s THR 164 CO 0.44 -0.59 0.54 0.00 -0.54 0.00 0.00 174.62 174.47 3i1k h VAL 166 N 2.15 0.00 -4.11 0.00 -1.51 -1.74 -3.39 116.25 107.64 3i1k h VAL 166 Ca -0.47 -0.63 -0.54 0.00 -1.23 0.00 0.00 66.70 63.83 3i1k h VAL 166 Cb 1.17 1.39 0.13 0.00 -2.13 0.00 0.00 31.29 31.85 3i1k h VAL 166 CO 0.69 0.00 0.48 -0.83 -1.23 0.00 0.00 177.57 176.67 3i1k s GLY 167 N -3.81 2.73 -1.39 5.19 0.00 0.07 -2.07 107.32 108.04 3i1k s GLY 167 Ca 0.07 1.05 -0.00 0.00 0.00 0.00 0.00 44.72 45.84 3i1k s GLY 167 CO 0.69 1.46 0.47 0.70 0.00 0.00 0.00 173.10 176.41 3i1k n ASN 168 N -1.82 -0.47 -1.82 1.64 3.02 -1.26 -1.40 115.26 113.15 3i1k n ASN 168 Ca 0.14 -0.98 -0.17 0.00 -0.03 0.00 0.00 54.58 53.55 3i1k n ASN 168 Cb 0.49 -3.23 -0.02 0.00 -0.61 0.00 0.00 39.78 36.41 3i1k n ASN 168 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i1k n GLY 169 N -1.91 0.02 2.47 7.41 0.00 -1.21 -1.44 105.19 110.54 3i1k n GLY 169 Ca -0.31 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.53 3i1k n GLY 169 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i1k n GLY 170 N -1.00 0.84 0.04 -0.02 0.00 -0.49 -4.91 105.19 99.65 3i1k n GLY 170 Ca -0.20 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.95 3i1k n GLY 170 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i1k n THR 171 N -2.26 0.21 -2.10 2.61 -2.24 -0.52 -4.81 114.28 105.17 3i1k n THR 171 Ca 0.00 -0.15 -0.42 0.00 -2.27 0.00 0.00 64.05 61.21 3i1k n THR 171 Cb 0.00 -0.06 -0.03 0.00 -2.10 0.00 0.00 70.33 68.14 3i1k n THR 171 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i1k s ALA 172 N -3.09 3.62 -0.20 6.98 0.00 -1.04 -4.98 121.76 123.05 3i1k s ALA 172 Ca 0.09 1.02 -0.25 0.00 0.00 0.00 0.00 51.96 52.82 3i1k s ALA 172 Cb 0.15 -3.63 -0.01 0.00 0.00 0.00 0.00 23.12 19.63 3i1k s ALA 172 CO 0.69 -0.98 0.85 0.21 0.00 0.00 0.00 175.76 176.53 3i1k s LYS 173 N 2.44 4.25 0.51 0.00 2.20 -1.26 -4.15 119.74 123.74 3i1k s LYS 173 Ca 0.68 1.03 -0.22 0.00 -0.36 0.00 0.00 55.97 57.09 3i1k s LYS 173 Cb -0.35 -3.61 -0.06 0.00 -1.51 0.00 0.00 37.83 32.30 3i1k s LYS 173 CO 0.29 -0.43 1.26 1.41 -0.36 0.00 0.00 175.35 177.52 3i1k s MET 174 N 2.52 3.40 0.39 4.03 -2.45 -1.26 -4.94 119.30 121.00 3i1k s MET 174 Ca 0.38 1.99 -0.24 0.00 -1.25 0.00 0.00 55.69 56.57 3i1k s MET 174 Cb -0.16 -2.30 -0.12 0.00 1.25 0.00 0.00 34.83 33.51 3i1k s MET 174 CO 0.10 -0.90 0.86 -2.30 1.05 0.00 0.00 175.02 173.82 3i1k n PRO 175 N -0.83 1.07 0.20 4.11 -0.02 -1.26 -4.87 135.00 133.39 3i1k n PRO 175 Ca 0.09 0.38 0.09 0.00 -2.02 0.00 0.00 63.50 62.04 3i1k n PRO 175 Cb 0.47 -1.82 0.26 0.00 -0.02 0.00 0.00 33.50 32.38 3i1k n PRO 175 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3i1k h ASP 176 N 1.36 0.00 -3.24 2.55 3.32 -0.86 -3.43 116.42 116.12 3i1k h ASP 176 Ca -0.42 0.00 -0.49 0.00 0.02 0.00 0.00 57.03 56.14 3i1k h ASP 176 Cb 1.36 0.00 -0.38 0.00 0.22 0.00 0.00 39.33 40.53 3i1k h ASP 176 CO 0.56 0.24 -0.78 0.21 -1.72 0.00 0.00 179.24 177.75 3i1k s ASN 177 N -6.25 2.07 0.55 6.45 2.47 -0.07 -3.43 114.94 116.74 3i1k s ASN 177 Ca 0.03 -0.31 -0.16 0.00 0.42 0.00 0.00 52.86 52.85 3i1k s ASN 177 Cb 0.08 -0.63 -0.06 0.00 -1.45 0.00 0.00 41.25 39.18 3i1k s ASN 177 CO 0.67 -0.18 1.01 -2.16 -3.72 0.00 0.00 177.10 172.72 3i1k s PRO 178 N 1.84 3.70 -0.28 0.43 0.04 -1.26 -4.40 135.00 135.07 3i1k s PRO 178 Ca 0.04 1.01 -0.19 0.00 0.04 0.00 0.00 61.00 61.89 3i1k s PRO 178 Cb -0.13 -2.10 -0.02 0.00 0.04 0.00 0.00 34.50 32.29 3i1k s PRO 178 CO -0.07 -0.48 0.58 -1.14 0.04 0.00 0.00 177.00 175.93 3i1k s GLN 179 N -4.21 3.99 -0.06 4.56 2.00 0.40 -4.77 119.66 121.56 3i1k s GLN 179 Ca 0.60 0.34 -0.20 0.00 -2.00 0.00 0.00 55.36 54.10 3i1k s GLN 179 Cb -0.12 -3.69 -0.05 0.00 0.80 0.00 0.00 33.01 29.96 3i1k s GLN 179 CO 0.36 -0.46 0.55 -1.17 -0.50 0.00 0.00 175.29 174.06 3i1k s LEU 180 N 2.47 4.34 0.22 3.68 2.96 -1.26 -1.87 118.68 129.22 3i1k s LEU 180 Ca 0.24 1.00 0.10 0.00 -0.22 0.00 0.00 54.13 55.24 3i1k s LEU 180 Cb -0.15 -2.83 -0.05 0.00 0.50 0.00 0.00 46.19 43.66 3i1k s LEU 180 CO 0.10 0.04 -0.18 0.68 -1.32 0.00 0.00 176.35 175.67 3i1k s VAL 181 N 0.26 2.03 -0.09 1.68 -7.23 0.78 -0.61 120.40 117.21 3i1k s VAL 181 Ca 0.29 -2.18 -0.01 0.00 -1.81 0.00 0.00 61.98 58.27 3i1k s VAL 181 Cb -0.17 -2.08 0.03 0.00 0.56 0.00 0.00 36.38 34.73 3i1k s VAL 181 CO 0.14 -0.43 -0.03 -0.63 -0.31 0.00 0.00 175.10 173.85 3i1k s ILE 182 N -2.49 0.62 0.33 -0.62 1.01 0.05 -2.19 121.20 117.91 3i1k s ILE 182 Ca 0.23 -0.04 -0.27 0.00 0.00 0.00 0.00 60.65 60.56 3i1k s ILE 182 Cb -0.04 -0.73 -0.09 0.00 0.01 0.00 0.00 42.46 41.60 3i1k s ILE 182 CO 0.09 0.29 1.03 -0.36 0.00 0.00 0.00 174.94 176.00 3i1k s PHE 183 N 1.87 3.54 0.32 3.97 0.40 -0.10 -1.34 117.98 126.64 3i1k s PHE 183 Ca 0.05 1.72 0.00 0.00 -0.60 0.00 0.00 56.93 58.10 3i1k s PHE 183 Cb -0.12 -3.12 0.51 0.00 0.51 0.00 0.00 43.02 40.80 3i1k s PHE 183 CO -0.06 -0.30 1.94 -0.44 0.70 0.00 0.00 175.22 177.05 3i1k h ASP 184 N 3.25 0.79 -4.44 1.36 3.32 -1.47 -3.42 116.42 115.80 3i1k h ASP 184 Ca -0.47 -0.06 -0.40 0.00 0.02 0.00 0.00 57.03 56.11 3i1k h ASP 184 Cb 1.21 -0.20 -0.21 0.00 0.22 0.00 0.00 39.33 40.35 3i1k h ASP 184 CO 0.65 0.64 -0.77 0.00 -1.72 0.00 0.00 179.24 178.04 3i1k s ALA 185 N -5.60 1.19 0.22 3.45 0.00 -1.26 -5.11 121.76 114.65 3i1k s ALA 185 Ca -0.10 -1.03 -0.32 0.00 0.00 0.00 0.00 51.96 50.51 3i1k s ALA 185 Cb 0.17 -0.09 -0.14 0.00 0.00 0.00 0.00 23.12 23.06 3i1k s ALA 185 CO 0.78 0.15 1.34 0.28 0.00 0.00 0.00 175.76 178.31 3i1k n VAL 186 N 1.18 0.95 -4.10 0.00 0.31 -1.26 -4.86 118.33 110.54 3i1k n VAL 186 Ca -0.20 -0.24 -0.12 0.00 -0.01 0.00 0.00 64.34 63.77 3i1k n VAL 186 Cb 0.55 -1.31 -0.06 0.00 -0.91 0.00 0.00 33.84 32.10 3i1k n VAL 186 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 3i1k s THR 187 N -0.11 0.00 -0.19 2.52 -1.32 -0.11 -5.01 115.64 111.43 3i1k s THR 187 Ca 0.69 -1.67 -0.00 0.00 -1.21 0.00 0.00 61.69 59.50 3i1k s THR 187 Cb -0.70 -2.43 0.01 0.00 -1.51 0.00 0.00 72.50 67.87 3i1k s THR 187 CO 0.50 0.00 -0.15 -0.75 -2.21 0.00 0.00 174.62 172.01 3i1k s LYS 188 N -3.75 3.10 -0.27 7.08 2.20 -1.26 -4.09 119.74 122.75 3i1k s LYS 188 Ca 0.31 -0.77 -0.15 0.00 -0.36 0.00 0.00 55.97 55.00 3i1k s LYS 188 Cb 0.02 -2.70 0.08 0.00 -1.51 0.00 0.00 37.83 33.72 3i1k s LYS 188 CO 0.14 -0.21 0.65 -1.17 -0.36 0.00 0.00 175.35 174.41 3i1k s LEU 189 N 1.34 -0.86 -0.04 5.43 1.98 -1.26 -5.09 118.68 120.19 3i1k s LEU 189 Ca 0.05 1.45 0.05 0.00 -2.89 0.00 0.00 54.13 52.79 3i1k s LEU 189 Cb -0.13 2.26 -0.01 0.00 0.66 0.00 0.00 46.19 48.96 3i1k s LEU 189 CO -0.10 -0.23 -0.20 -0.44 -1.89 0.00 0.00 176.35 173.49 3i1k s SER 190 N 1.67 2.42 0.04 3.68 0.01 -1.26 -2.34 113.70 117.93 3i1k s SER 190 Ca -0.10 -0.39 0.07 0.00 1.31 0.00 0.00 55.95 56.84 3i1k s SER 190 Cb -0.06 -0.55 -0.02 0.00 0.21 0.00 0.00 66.02 65.60 3i1k s SER 190 CO -0.19 0.20 -0.19 0.28 0.41 0.00 0.00 173.24 173.75 3i1k s THR 191 N -0.16 1.53 -0.09 1.44 -1.32 -0.25 -4.96 115.64 111.83 3i1k s THR 191 Ca -0.00 -1.16 -0.11 0.00 -1.21 0.00 0.00 61.69 59.20 3i1k s THR 191 Cb -0.11 -1.34 -0.05 0.00 -1.51 0.00 0.00 72.50 69.49 3i1k s THR 191 CO 0.02 0.15 0.27 -1.10 -2.21 0.00 0.00 174.62 171.74 3i1k s GLN 192 N -1.19 3.82 0.18 7.08 -0.21 -1.26 -0.15 119.66 127.93 3i1k s GLN 192 Ca 0.06 0.11 0.06 0.00 0.02 0.00 0.00 55.36 55.60 3i1k s GLN 192 Cb -0.09 -3.26 -0.05 0.00 1.00 0.00 0.00 33.01 30.62 3i1k s GLN 192 CO 0.02 0.61 -0.10 -0.59 -2.12 0.00 0.00 175.29 173.11 3i1k s PHE 193 N -0.66 1.48 -0.09 0.91 -0.71 0.02 -1.99 117.98 116.94 3i1k s PHE 193 Ca 0.18 -0.72 0.03 0.00 -1.04 0.00 0.00 56.93 55.38 3i1k s PHE 193 Cb -0.14 -0.75 0.01 0.00 -1.21 0.00 0.00 43.02 40.93 3i1k s PHE 193 CO 0.07 0.17 -0.17 0.08 -1.34 0.00 0.00 175.22 174.03 3i1k s VAL 194 N -3.21 1.56 -0.37 -2.49 1.01 -1.26 -0.86 120.40 114.79 3i1k s VAL 194 Ca 0.21 -0.71 -0.14 0.00 0.00 0.00 0.00 61.98 61.33 3i1k s VAL 194 Cb 0.02 -1.39 -0.00 0.00 0.00 0.00 0.00 36.38 35.00 3i1k s VAL 194 CO 0.04 0.45 0.31 -0.76 0.00 0.00 0.00 175.10 175.14 3i1k s LEU 195 N 0.67 4.67 0.73 3.92 1.43 0.29 -4.67 118.68 125.73 3i1k s LEU 195 Ca -0.13 -0.51 -0.13 0.00 -1.03 0.00 0.00 54.13 52.32 3i1k s LEU 195 Cb -0.16 -2.22 0.04 0.00 0.03 0.00 0.00 46.19 43.88 3i1k s LEU 195 CO 0.03 -0.35 1.13 -2.16 0.23 0.00 0.00 176.35 175.24 3i1k s PRO 196 N 1.83 2.30 0.00 1.29 0.04 -1.26 -0.50 135.00 138.70 3i1k s PRO 196 Ca 0.08 1.46 0.28 0.00 0.04 0.00 0.00 61.00 62.85 3i1k s PRO 196 Cb -0.18 -1.88 1.00 0.00 0.04 0.00 0.00 34.50 33.48 3i1k s PRO 196 CO 0.11 -1.65 1.72 0.27 0.04 0.00 0.00 177.00 177.49 3i1k n ASN 197 N -2.94 0.73 -3.74 6.66 0.23 -1.26 -4.65 115.26 110.28 3i1k n ASN 197 Ca 0.11 -0.71 -0.09 0.00 -0.53 0.00 0.00 54.58 53.35 3i1k n ASN 197 Cb 0.52 0.02 -0.04 0.00 -2.08 0.00 0.00 39.78 38.20 3i1k n ASN 197 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 3i1k s SER 198 N -2.49 -0.26 -0.18 0.53 1.04 -1.26 -0.81 113.70 110.26 3i1k s SER 198 Ca 0.26 -0.49 -0.06 0.00 0.48 0.00 0.00 55.95 56.14 3i1k s SER 198 Cb 0.20 0.59 0.08 0.00 0.10 0.00 0.00 66.02 66.98 3i1k s SER 198 CO 0.50 -1.07 0.37 -0.55 0.98 0.00 0.00 173.24 173.47 3i1k s SER 199 N -2.88 -0.11 0.74 7.02 0.15 -0.51 -4.83 113.70 113.27 3i1k s SER 199 Ca 0.10 0.87 0.00 0.00 0.70 0.00 0.00 55.95 57.61 3i1k s SER 199 Cb -0.01 1.10 0.00 0.00 -1.71 0.00 0.00 66.02 65.40 3i1k s SER 199 CO -0.02 -0.23 0.00 0.47 1.20 0.00 0.00 173.24 174.66 3i1k n ASP 200 N 5.26 0.00 -0.55 5.45 8.00 -1.26 -1.53 116.55 131.93 3i1k n ASP 200 Ca -0.10 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.48 3i1k n ASP 200 Cb 0.50 0.00 0.27 0.00 -0.02 0.00 0.00 41.12 41.87 3i1k n ASP 200 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i1k n GLY 201 N 0.00 0.33 3.69 0.44 0.00 -1.26 -4.90 105.19 103.50 3i1k n GLY 201 Ca 0.00 -0.37 -0.35 0.00 0.00 0.00 0.00 46.02 45.30 3i1k n GLY 201 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i1k s VAL 202 N -1.69 5.12 -0.14 1.61 1.01 -0.58 -5.06 120.40 120.66 3i1k s VAL 202 Ca 0.27 0.08 -0.29 0.00 0.00 0.00 0.00 61.98 62.04 3i1k s VAL 202 Cb 0.14 -3.32 -0.02 0.00 0.00 0.00 0.00 36.38 33.19 3i1k s VAL 202 CO 0.20 0.46 1.22 -0.44 0.00 0.00 0.00 175.10 176.55 3i1k s SER 203 N 0.29 6.99 -1.14 3.32 0.01 -1.26 -1.43 113.70 120.48 3i1k s SER 203 Ca 0.06 1.70 -0.15 0.00 1.31 0.00 0.00 55.95 58.86 3i1k s SER 203 Cb -0.12 -2.54 0.15 0.00 0.21 0.00 0.00 66.02 63.72 3i1k s SER 203 CO -0.01 -0.70 1.38 0.00 0.41 0.00 0.00 173.24 174.32 3i1k h THR 205 N 5.02 0.12 -3.65 0.00 1.35 -1.37 -3.39 112.91 110.99 3i1k h THR 205 Ca 0.28 -0.64 -0.07 0.00 -0.55 0.00 0.00 66.41 65.43 3i1k h THR 205 Cb 0.91 1.57 -0.12 0.00 -1.73 0.00 0.00 68.15 68.78 3i1k h THR 205 CO 1.23 0.05 -0.21 -1.59 -0.25 0.00 0.00 175.52 174.74 3i1k s LYS 206 N -3.66 1.12 -0.02 4.72 0.00 -0.62 -4.46 119.74 116.83 3i1k s LYS 206 Ca 0.01 -0.97 0.04 0.00 0.00 0.00 0.00 55.97 55.04 3i1k s LYS 206 Cb 0.09 0.42 -0.01 0.00 0.00 0.00 0.00 37.83 38.33 3i1k s LYS 206 CO 0.57 -0.42 -0.12 -1.01 0.00 0.00 0.00 175.35 174.36 3i1k s HIS 207 N -3.89 1.16 -0.34 1.78 3.76 0.34 -0.99 115.29 117.09 3i1k s HIS 207 Ca 0.10 -0.25 -0.16 0.00 -0.15 0.00 0.00 55.06 54.61 3i1k s HIS 207 Cb 0.02 -0.76 -0.01 0.00 1.11 0.00 0.00 32.58 32.94 3i1k s HIS 207 CO -0.05 -0.05 0.38 -1.17 -0.85 0.00 0.00 174.74 173.00 3i1k s LEU 208 N -0.17 4.43 -0.06 0.89 2.96 -0.58 -0.53 118.68 125.62 3i1k s LEU 208 Ca 0.03 -0.21 0.02 0.00 -0.22 0.00 0.00 54.13 53.74 3i1k s LEU 208 Cb -0.06 -2.37 0.02 0.00 0.50 0.00 0.00 46.19 44.27 3i1k s LEU 208 CO -0.00 -0.36 -0.09 -0.69 -1.32 0.00 0.00 176.35 173.89 3i1k s VAL 209 N 2.06 0.90 0.45 1.68 1.01 -0.54 -1.83 120.40 124.13 3i1k s VAL 209 Ca 0.13 -0.34 -0.20 0.00 0.00 0.00 0.00 61.98 61.57 3i1k s VAL 209 Cb -0.16 -0.85 -0.10 0.00 0.00 0.00 0.00 36.38 35.26 3i1k s VAL 209 CO 0.12 0.30 0.96 -2.16 0.00 0.00 0.00 175.10 174.32 3i1k s PRO 210 N 0.78 4.17 -0.19 2.72 0.04 -1.26 -0.48 135.00 140.77 3i1k s PRO 210 Ca -0.13 1.08 -0.03 0.00 0.04 0.00 0.00 61.00 61.96 3i1k s PRO 210 Cb -0.15 -2.17 0.06 0.00 0.04 0.00 0.00 34.50 32.28 3i1k s PRO 210 CO 0.02 -0.08 0.04 0.12 0.04 0.00 0.00 177.00 177.14 3i1k s PHE 211 N -2.28 0.92 0.12 0.56 5.36 0.18 -4.68 117.98 118.17 3i1k s PHE 211 Ca 0.61 -0.80 0.09 0.00 -0.96 0.00 0.00 56.93 55.88 3i1k s PHE 211 Cb -0.09 -0.99 -0.04 0.00 -0.34 0.00 0.00 43.02 41.56 3i1k s PHE 211 CO 0.17 -0.60 -0.20 0.00 -1.46 0.00 0.00 175.22 173.13 3i1k s TYR 213 N -1.11 0.54 -0.25 0.00 -0.85 0.35 -4.96 117.35 111.07 3i1k s TYR 213 Ca 0.17 -0.90 0.02 0.00 -0.52 0.00 0.00 57.07 55.84 3i1k s TYR 213 Cb -0.10 0.17 0.06 0.00 0.38 0.00 0.00 41.96 42.46 3i1k s TYR 213 CO 0.09 -1.08 -0.10 0.42 -1.52 0.00 0.00 175.55 173.36 3i1k s ILE 214 N -3.60 1.97 0.63 -3.49 1.01 -1.26 -0.39 121.20 116.07 3i1k s ILE 214 Ca 0.24 -1.46 -0.02 0.00 0.00 0.00 0.00 60.65 59.41 3i1k s ILE 214 Cb -0.01 -2.10 0.13 0.00 0.01 0.00 0.00 42.46 40.49 3i1k s ILE 214 CO 0.12 -0.01 0.86 -0.90 0.00 0.00 0.00 174.94 175.02 3i1k n ASP 215 N 4.52 0.99 0.00 3.58 5.75 -0.63 -4.86 116.55 125.90 3i1k n ASP 215 Ca -0.14 -1.88 0.00 0.00 -0.01 0.00 0.00 54.79 52.76 3i1k n ASP 215 Cb 0.43 -0.57 0.00 0.00 -1.03 0.00 0.00 41.12 39.95 3i1k n ASP 215 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3i1k n GLY 216 N -1.45 1.38 7.00 6.12 0.00 -1.26 -3.21 105.19 113.77 3i1k n GLY 216 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3i1k n GLY 216 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i1k n GLY 217 N -0.30 -1.69 3.72 -0.02 0.00 -1.26 -3.81 105.19 101.84 3i1k n GLY 217 Ca 0.00 -1.34 -0.32 0.00 0.00 0.00 0.00 46.02 44.36 3i1k n GLY 217 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1k s PHE 219 N -2.51 3.12 0.01 0.00 5.36 -0.28 -4.44 117.98 119.24 3i1k s PHE 219 Ca 0.67 -1.66 -0.23 0.00 -0.96 0.00 0.00 56.93 54.76 3i1k s PHE 219 Cb -0.23 -2.06 -0.05 0.00 -0.34 0.00 0.00 43.02 40.34 3i1k s PHE 219 CO 0.52 -0.75 0.67 -2.00 -1.46 0.00 0.00 175.22 172.20 3i1k s GLU 220 N 1.30 4.40 -0.07 10.12 2.12 -1.26 -1.31 118.70 134.01 3i1k s GLU 220 Ca -0.01 0.88 -0.04 0.00 0.36 0.00 0.00 54.97 56.16 3i1k s GLU 220 Cb -0.17 -3.36 0.03 0.00 0.26 0.00 0.00 34.13 30.89 3i1k s GLU 220 CO -0.04 0.31 0.16 -1.64 -0.54 0.00 0.00 175.26 173.51 3i1k s MET 221 N -0.05 0.14 -1.57 4.30 -1.94 -0.62 -4.91 119.30 114.65 3i1k s MET 221 Ca 0.35 0.33 -0.07 0.00 -1.71 0.00 0.00 55.69 54.59 3i1k s MET 221 Cb -0.19 -0.08 0.06 0.00 2.01 0.00 0.00 34.83 36.63 3i1k s MET 221 CO 0.20 -0.11 0.39 0.43 -0.01 0.00 0.00 175.02 175.91 3i1k n SER 222 N 3.78 -0.73 0.00 3.03 7.64 -1.26 -1.21 113.62 124.86 3i1k n SER 222 Ca -0.21 -1.12 0.00 0.00 1.01 0.00 0.00 58.87 58.55 3i1k n SER 222 Cb 0.54 -2.38 0.00 0.00 -1.01 0.00 0.00 64.21 61.37 3i1k n SER 222 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i1k n GLY 223 N -1.94 2.05 3.49 0.23 0.00 -1.26 -5.00 105.19 102.75 3i1k n GLY 223 Ca -0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 3i1k n GLY 223 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i1k s VAL 224 N -3.16 3.90 -0.48 1.61 1.01 -0.35 -5.07 120.40 117.86 3i1k s VAL 224 Ca 0.00 -0.35 -0.18 0.00 0.00 0.00 0.00 61.98 61.45 3i1k s VAL 224 Cb 0.00 -2.72 0.05 0.00 0.00 0.00 0.00 36.38 33.71 3i1k s VAL 224 CO 0.00 0.48 0.54 0.00 0.00 0.00 0.00 175.10 176.13 3i1k s HIS 226 N 2.36 3.56 0.45 0.00 3.76 -0.42 -4.77 115.29 120.23 3i1k s HIS 226 Ca 0.13 0.51 -0.25 0.00 -0.15 0.00 0.00 55.06 55.30 3i1k s HIS 226 Cb -0.19 -1.94 -0.08 0.00 1.11 0.00 0.00 32.58 31.48 3i1k s HIS 226 CO 0.12 0.61 1.39 -2.14 -0.85 0.00 0.00 174.74 173.87 3i1k s PRO 227 N -1.87 3.69 -0.22 8.40 0.02 -1.26 -1.13 135.00 142.64 3i1k s PRO 227 Ca 0.28 2.33 -0.04 0.00 0.02 0.00 0.00 61.00 63.60 3i1k s PRO 227 Cb -0.13 -2.63 -0.01 0.00 0.02 0.00 0.00 34.50 31.75 3i1k s PRO 227 CO 0.17 -0.78 -0.05 0.12 -0.33 0.00 0.00 177.00 176.13 3i1k s PHE 228 N -1.23 2.95 0.00 6.54 5.36 0.45 -4.68 117.98 127.36 3i1k s PHE 228 Ca 0.61 -0.96 0.00 0.00 -0.96 0.00 0.00 56.93 55.62 3i1k s PHE 228 Cb -0.42 -2.09 0.00 0.00 -0.34 0.00 0.00 43.02 40.17 3i1k s PHE 228 CO 0.53 -0.55 0.00 0.41 -1.46 0.00 0.00 175.22 174.15 3i1k n GLY 229 N 4.75 1.54 3.90 13.12 0.00 -1.26 -0.45 105.19 126.77 3i1k n GLY 229 Ca -0.18 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 44.91 3i1k n GLY 229 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3i1k s TYR 230 N -2.00 0.03 0.15 1.61 -0.85 -0.54 -3.22 117.35 112.53 3i1k s TYR 230 Ca 0.00 -0.24 -0.19 0.00 -0.52 0.00 0.00 57.07 56.13 3i1k s TYR 230 Cb 0.00 0.61 0.05 0.00 0.38 0.00 0.00 41.96 42.99 3i1k s TYR 230 CO 0.00 -0.50 0.49 1.52 -1.52 0.00 0.00 175.55 175.54 3i1k s TYR 231 N -2.17 -0.31 -0.07 -3.49 1.13 -0.30 -1.80 117.35 110.34 3i1k s TYR 231 Ca 0.24 0.03 -0.04 0.00 -1.41 0.00 0.00 57.07 55.89 3i1k s TYR 231 Cb -0.00 0.39 -0.04 0.00 -1.10 0.00 0.00 41.96 41.20 3i1k s TYR 231 CO 0.01 -0.78 0.12 0.71 -2.51 0.00 0.00 175.55 173.10 3i1k s TYR 232 N -3.79 3.47 -0.01 -3.49 2.02 0.34 -1.34 117.35 114.55 3i1k s TYR 232 Ca 0.03 0.39 -0.18 0.00 -0.37 0.00 0.00 57.07 56.94 3i1k s TYR 232 Cb 0.00 -1.86 0.03 0.00 -0.40 0.00 0.00 41.96 39.74 3i1k s TYR 232 CO -0.11 0.65 0.38 -1.83 -1.57 0.00 0.00 175.55 173.07 3i1k s GLU 233 N -1.34 0.76 0.37 -0.62 -1.05 -0.51 -1.64 118.70 114.66 3i1k s GLU 233 Ca 0.19 -0.13 -0.02 0.00 -0.15 0.00 0.00 54.97 54.86 3i1k s GLU 233 Cb -0.12 0.34 0.01 0.00 -0.44 0.00 0.00 34.13 33.92 3i1k s GLU 233 CO 0.09 -0.22 0.51 -1.54 0.95 0.00 0.00 175.26 175.05 3i1k s SER 234 N -1.38 1.04 0.44 0.83 1.04 0.02 -0.89 113.70 114.80 3i1k s SER 234 Ca -0.12 -1.54 0.30 0.00 0.48 0.00 0.00 55.95 55.07 3i1k s SER 234 Cb -0.04 0.70 1.46 0.00 0.10 0.00 0.00 66.02 68.24 3i1k s SER 234 CO 0.05 -1.37 1.92 -0.65 0.98 0.00 0.00 173.24 174.17 3i1k h PRO 235 N 2.06 0.00 -0.09 4.02 0.11 -2.02 -2.74 132.00 133.34 3i1k h PRO 235 Ca -0.28 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.81 3i1k h PRO 235 Cb 1.24 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 3i1k h PRO 235 CO 0.38 0.00 -0.09 -1.13 -0.21 0.00 0.00 178.00 176.95 3i1k n SER 236 N -2.64 2.56 -3.63 -2.05 3.41 -1.26 -5.04 113.62 104.97 3i1k n SER 236 Ca -0.00 -3.28 -0.14 0.00 -0.26 0.00 0.00 58.87 55.19 3i1k n SER 236 Cb 0.16 -0.49 -0.07 0.00 -0.26 0.00 0.00 64.21 63.55 3i1k n SER 236 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3i1k s PHE 237 N -2.97 -0.78 -0.08 7.33 5.36 -1.04 -5.12 117.98 120.69 3i1k s PHE 237 Ca 0.36 1.91 -0.04 0.00 -0.96 0.00 0.00 56.93 58.20 3i1k s PHE 237 Cb 0.32 0.28 0.04 0.00 -0.34 0.00 0.00 43.02 43.32 3i1k s PHE 237 CO 0.02 -0.38 0.18 -0.47 -1.46 0.00 0.00 175.22 173.11 3i1k s TYR 238 N 0.39 -0.21 -0.10 10.12 5.04 -1.26 -0.80 117.35 130.53 3i1k s TYR 238 Ca 0.00 0.57 -0.04 0.00 -2.44 0.00 0.00 57.07 55.16 3i1k s TYR 238 Cb -0.05 -0.04 0.05 0.00 0.35 0.00 0.00 41.96 42.27 3i1k s TYR 238 CO 0.01 -0.18 0.20 -1.58 -1.34 0.00 0.00 175.55 172.65 3i1k s HIS 239 N 1.16 -0.27 0.25 4.97 2.46 -0.65 -5.01 115.29 118.20 3i1k s HIS 239 Ca -0.09 0.72 0.02 0.00 0.47 0.00 0.00 55.06 56.18 3i1k s HIS 239 Cb -0.11 -0.11 -0.04 0.00 -0.13 0.00 0.00 32.58 32.19 3i1k s HIS 239 CO -0.07 -0.27 0.18 0.20 -2.47 0.00 0.00 174.74 172.31 3i1k s GLY 240 N 1.94 1.76 -0.03 1.59 0.00 -1.26 -0.50 107.32 110.82 3i1k s GLY 240 Ca -0.02 -1.82 -0.09 0.00 0.00 0.00 0.00 44.72 42.78 3i1k s GLY 240 CO -0.07 -1.44 0.21 -0.12 0.00 0.00 0.00 173.10 171.68 3i1k s PHE 241 N -3.90 -0.09 -0.22 1.90 5.36 -0.75 -5.00 117.98 115.28 3i1k s PHE 241 Ca 0.39 0.17 -0.16 0.00 -0.96 0.00 0.00 56.93 56.37 3i1k s PHE 241 Cb 0.05 0.03 0.06 0.00 -0.34 0.00 0.00 43.02 42.82 3i1k s PHE 241 CO 0.17 -0.27 0.57 -0.47 -1.46 0.00 0.00 175.22 173.76 3i1k s TYR 242 N -0.97 -0.75 -0.04 10.12 5.04 -1.26 -1.46 117.35 128.04 3i1k s TYR 242 Ca -0.10 1.65 -0.03 0.00 -2.44 0.00 0.00 57.07 56.15 3i1k s TYR 242 Cb -0.05 0.35 0.02 0.00 0.35 0.00 0.00 41.96 42.62 3i1k s TYR 242 CO 0.02 -0.38 0.09 -0.08 -1.34 0.00 0.00 175.55 173.87 3i1k s THR 243 N 0.94 -0.02 -0.05 4.34 -1.32 0.40 -5.00 115.64 114.93 3i1k s THR 243 Ca -0.05 0.06 0.18 0.00 -1.21 0.00 0.00 61.69 60.67 3i1k s THR 243 Cb -0.05 -0.15 0.34 0.00 -1.51 0.00 0.00 72.50 71.13 3i1k s THR 243 CO -0.08 0.03 1.15 -3.20 -2.21 0.00 0.00 174.62 170.30 3i1k n ASN 244 N 3.41 1.07 -3.67 8.08 5.15 -1.26 -0.41 115.26 127.63 3i1k n ASN 244 Ca -0.17 -2.48 -0.30 0.00 -0.60 0.00 0.00 54.58 51.03 3i1k n ASN 244 Cb 0.57 -0.34 0.25 0.00 -0.53 0.00 0.00 39.78 39.73 3i1k n ASN 244 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 3i1k s GLY 245 N -2.15 1.57 0.29 8.20 0.00 -1.26 -4.58 107.32 109.39 3i1k s GLY 245 Ca 0.29 -1.01 -0.30 0.00 0.00 0.00 0.00 44.72 43.71 3i1k s GLY 245 CO -0.11 -0.08 1.47 -1.59 0.00 0.00 0.00 173.10 172.80 3i1k s THR 246 N -2.94 2.42 0.52 0.90 2.01 -1.26 -1.18 115.64 116.11 3i1k s THR 246 Ca 0.71 0.37 -0.22 0.00 0.31 0.00 0.00 61.69 62.86 3i1k s THR 246 Cb -0.09 -3.23 -0.06 0.00 0.01 0.00 0.00 72.50 69.13 3i1k s THR 246 CO 0.56 0.07 1.24 0.00 -0.69 0.00 0.00 174.62 175.79 3i1k s ALA 247 N -0.30 2.83 0.00 7.40 0.00 -1.26 -4.25 121.76 126.17 3i1k s ALA 247 Ca 0.58 1.08 0.00 0.00 0.00 0.00 0.00 51.96 53.62 3i1k s ALA 247 Cb -0.44 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.22 3i1k s ALA 247 CO 0.49 -1.00 0.00 0.41 0.00 0.00 0.00 175.76 175.66 3i1k n GLY 248 N 0.54 0.14 3.68 0.00 0.00 -1.25 -5.01 105.19 103.29 3i1k n GLY 248 Ca 0.10 -0.05 -0.48 0.00 0.00 0.00 0.00 46.02 45.59 3i1k n GLY 248 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3i1k n LEU 249 N 0.00 3.55 -4.76 0.99 0.00 -1.26 -4.89 117.00 110.63 3i1k n LEU 249 Ca 0.00 0.96 -0.36 0.00 0.00 0.00 0.00 56.01 56.61 3i1k n LEU 249 Cb 0.00 -1.39 -0.07 0.00 0.00 0.00 0.00 43.42 41.95 3i1k n LEU 249 CO 0.00 -0.02 -0.13 -1.00 0.00 0.00 0.00 177.39 176.25 3i1k s HIS 250 N 4.19 3.46 -0.04 1.96 3.76 -1.26 -4.22 115.29 123.14 3i1k s HIS 250 Ca 0.92 0.45 0.05 0.00 -0.15 0.00 0.00 55.06 56.34 3i1k s HIS 250 Cb -0.66 -2.18 -0.01 0.00 1.11 0.00 0.00 32.58 30.85 3i1k s HIS 250 CO 0.50 0.36 -0.20 -1.12 -0.85 0.00 0.00 174.74 173.43 3i1k s SER 251 N 0.13 2.50 -0.37 1.40 0.01 -1.20 -0.58 113.70 115.59 3i1k s SER 251 Ca 0.12 -0.41 -0.23 0.00 1.31 0.00 0.00 55.95 56.74 3i1k s SER 251 Cb -0.12 -0.60 0.01 0.00 0.21 0.00 0.00 66.02 65.52 3i1k s SER 251 CO 0.01 0.20 0.79 -0.47 0.41 0.00 0.00 173.24 174.18 3i1k s TYR 252 N -0.14 3.10 0.01 2.43 5.04 -1.26 -1.60 117.35 124.92 3i1k s TYR 252 Ca -0.01 0.52 0.08 0.00 -2.44 0.00 0.00 57.07 55.22 3i1k s TYR 252 Cb -0.11 -3.43 -0.02 0.00 0.35 0.00 0.00 41.96 38.74 3i1k s TYR 252 CO 0.02 -0.76 -0.25 0.42 -1.34 0.00 0.00 175.55 173.64 3i1k s ILE 253 N 3.13 1.99 -0.05 3.14 1.01 0.48 -4.91 121.20 125.98 3i1k s ILE 253 Ca 0.31 -1.17 0.06 0.00 0.00 0.00 0.00 60.65 59.85 3i1k s ILE 253 Cb -0.13 -1.67 -0.01 0.00 0.01 0.00 0.00 42.46 40.66 3i1k s ILE 253 CO 0.17 0.47 -0.23 0.00 0.00 0.00 0.00 174.94 175.35 3i1k s ASP 255 N -0.12 6.04 -0.21 0.00 1.01 0.13 -4.86 116.67 118.65 3i1k s ASP 255 Ca -0.04 0.18 0.01 0.00 0.71 0.00 0.00 52.55 53.42 3i1k s ASP 255 Cb -0.13 -1.78 0.04 0.00 1.01 0.00 0.00 42.92 42.05 3i1k s ASP 255 CO 0.03 0.19 -0.14 -0.31 0.21 0.00 0.00 175.17 175.15 3i1k s TYR 256 N -1.43 2.78 0.05 4.23 1.51 -1.26 -0.64 117.35 122.58 3i1k s TYR 256 Ca 0.31 -1.80 0.02 0.00 -1.01 0.00 0.00 57.07 54.59 3i1k s TYR 256 Cb -0.13 -1.82 -0.04 0.00 -0.11 0.00 0.00 41.96 39.86 3i1k s TYR 256 CO 0.24 -0.80 0.09 -0.51 -1.11 0.00 0.00 175.55 173.45 3i1k s LEU 257 N 1.28 3.87 -0.24 -1.29 1.43 0.37 -4.94 118.68 119.16 3i1k s LEU 257 Ca -0.01 0.07 -0.14 0.00 -1.03 0.00 0.00 54.13 53.02 3i1k s LEU 257 Cb -0.16 -2.43 -0.04 0.00 0.03 0.00 0.00 46.19 43.59 3i1k s LEU 257 CO -0.09 0.21 0.32 -0.70 0.23 0.00 0.00 176.35 176.32 3i1k s GLU 258 N -2.14 4.07 -0.00 1.70 2.12 -1.26 -1.46 118.70 121.72 3i1k s GLU 258 Ca 0.27 -0.01 0.03 0.00 0.36 0.00 0.00 54.97 55.62 3i1k s GLU 258 Cb -0.12 -3.60 -0.01 0.00 0.26 0.00 0.00 34.13 30.66 3i1k s GLU 258 CO 0.19 -0.13 -0.10 -1.64 -0.54 0.00 0.00 175.26 173.04 3i1k s MET 259 N 1.60 0.81 0.53 4.30 -1.94 0.31 -4.94 119.30 119.96 3i1k s MET 259 Ca 0.14 -0.39 -0.18 0.00 -1.71 0.00 0.00 55.69 53.55 3i1k s MET 259 Cb -0.15 -0.78 -0.07 0.00 2.01 0.00 0.00 34.83 35.84 3i1k s MET 259 CO 0.08 0.21 1.03 0.15 -0.01 0.00 0.00 175.02 176.48 3i1k s LYS 260 N -0.30 3.69 0.66 2.03 1.02 -1.26 -0.51 119.74 125.07 3i1k s LYS 260 Ca 0.03 1.21 -0.17 0.00 0.02 0.00 0.00 55.97 57.06 3i1k s LYS 260 Cb -0.04 -2.09 -0.02 0.00 -0.52 0.00 0.00 37.83 35.16 3i1k s LYS 260 CO -0.00 -0.51 0.95 -0.35 -0.92 0.00 0.00 175.35 174.52 3i1k n PRO 261 N -1.44 0.70 -0.92 -1.68 -0.04 -1.26 -4.86 135.00 125.49 3i1k n PRO 261 Ca 0.08 0.29 0.00 0.00 -0.04 0.00 0.00 63.50 63.83 3i1k n PRO 261 Cb 0.53 -2.19 0.00 0.00 -0.04 0.00 0.00 33.50 31.80 3i1k n PRO 261 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i1k n GLY 262 N 1.22 0.42 3.65 0.55 0.00 0.34 -4.95 105.19 106.42 3i1k n GLY 262 Ca 0.14 -1.76 -0.35 0.00 0.00 0.00 0.00 46.02 44.05 3i1k n GLY 262 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i1k s VAL 263 N -2.15 4.84 0.17 1.61 1.01 -1.26 -0.54 120.40 124.08 3i1k s VAL 263 Ca 0.00 -0.02 0.05 0.00 0.00 0.00 0.00 61.98 62.02 3i1k s VAL 263 Cb 0.00 -3.18 -0.05 0.00 0.00 0.00 0.00 36.38 33.16 3i1k s VAL 263 CO 0.00 0.47 -0.10 -0.31 0.00 0.00 0.00 175.10 175.15 3i1k s TYR 264 N 0.29 1.40 -0.02 5.22 2.02 -0.04 -4.80 117.35 121.41 3i1k s TYR 264 Ca 0.04 -0.72 -0.01 0.00 -0.37 0.00 0.00 57.07 56.01 3i1k s TYR 264 Cb -0.12 -0.70 -0.04 0.00 -0.40 0.00 0.00 41.96 40.70 3i1k s TYR 264 CO 0.00 0.14 0.06 -0.80 -1.57 0.00 0.00 175.55 173.39 3i1k s ASN 265 N -3.22 5.58 -0.19 2.29 -0.87 -0.07 -0.80 114.94 117.66 3i1k s ASN 265 Ca 0.19 0.14 -0.06 0.00 -1.57 0.00 0.00 52.86 51.56 3i1k s ASN 265 Cb 0.02 -1.59 -0.03 0.00 -0.02 0.00 0.00 41.25 39.63 3i1k s ASN 265 CO 0.03 0.29 0.02 0.00 -2.57 0.00 0.00 177.10 174.87 3i1k s ALA 266 N -1.13 3.18 -0.03 0.60 0.00 0.78 -1.43 121.76 123.73 3i1k s ALA 266 Ca 0.21 -0.86 0.02 0.00 0.00 0.00 0.00 51.96 51.33 3i1k s ALA 266 Cb -0.12 -1.80 0.00 0.00 0.00 0.00 0.00 23.12 21.21 3i1k s ALA 266 CO 0.11 0.04 -0.08 0.99 0.00 0.00 0.00 175.76 176.82 3i1k s THR 267 N 0.64 0.74 0.24 0.00 2.01 -0.45 -1.08 115.64 117.74 3i1k s THR 267 Ca 0.01 -0.34 -0.07 0.00 0.31 0.00 0.00 61.69 61.60 3i1k s THR 267 Cb -0.14 -0.66 -0.06 0.00 0.01 0.00 0.00 72.50 71.65 3i1k s THR 267 CO 0.02 0.24 0.52 0.28 -0.69 0.00 0.00 174.62 174.99 3i1k s THR 268 N 0.22 5.01 -0.93 -0.82 -1.32 -0.99 -1.15 115.64 115.66 3i1k s THR 268 Ca -0.03 0.22 0.27 0.00 -1.21 0.00 0.00 61.69 60.94 3i1k s THR 268 Cb -0.08 -3.67 0.15 0.00 -1.51 0.00 0.00 72.50 67.39 3i1k s THR 268 CO 0.00 -0.16 1.68 0.49 -2.21 0.00 0.00 174.62 174.43 3i1k n PHE 269 N -0.44 0.18 0.00 9.09 3.01 -1.20 -4.67 117.46 123.43 3i1k n PHE 269 Ca -0.01 0.05 0.00 0.00 1.01 0.00 0.00 57.45 58.50 3i1k n PHE 269 Cb 0.53 -0.49 0.00 0.00 -0.01 0.00 0.00 39.48 39.50 3i1k n PHE 269 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3i1k n GLY 270 N 1.46 0.71 0.05 1.37 0.00 -1.26 -4.91 105.19 102.61 3i1k n GLY 270 Ca 0.06 0.01 -0.05 0.00 0.00 0.00 0.00 46.02 46.04 3i1k n GLY 270 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3i1k n LYS 271 N 0.00 2.36 -4.34 1.61 3.00 -1.26 -0.93 118.16 118.60 3i1k n LYS 271 Ca 0.00 -0.00 -0.27 0.00 -0.00 0.00 0.00 58.31 58.04 3i1k n LYS 271 Cb 0.00 -1.25 -0.13 0.00 0.00 0.00 0.00 35.03 33.65 3i1k n LYS 271 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 3i1k s PHE 272 N -2.24 2.07 -0.12 5.64 0.40 -1.26 -0.92 117.98 121.55 3i1k s PHE 272 Ca -0.05 -0.40 -0.19 0.00 -0.60 0.00 0.00 56.93 55.69 3i1k s PHE 272 Cb 0.03 -1.12 0.05 0.00 0.51 0.00 0.00 43.02 42.48 3i1k s PHE 272 CO 0.40 0.29 0.49 -1.17 0.70 0.00 0.00 175.22 175.93 3i1k s LEU 273 N -2.03 0.14 0.09 -0.37 0.20 -0.93 -4.36 118.68 111.42 3i1k s LEU 273 Ca 0.11 0.74 0.10 0.00 0.69 0.00 0.00 54.13 55.77 3i1k s LEU 273 Cb -0.10 1.76 -0.04 0.00 -0.43 0.00 0.00 46.19 47.38 3i1k s LEU 273 CO 0.05 -0.32 -0.25 0.27 -0.29 0.00 0.00 176.35 175.82 3i1k s ILE 274 N -0.37 2.36 0.04 6.68 -4.36 -1.26 -0.16 121.20 124.14 3i1k s ILE 274 Ca -0.05 -1.56 0.03 0.00 -0.26 0.00 0.00 60.65 58.81 3i1k s ILE 274 Cb -0.03 -2.01 -0.02 0.00 1.25 0.00 0.00 42.46 41.65 3i1k s ILE 274 CO 0.03 0.20 -0.10 -0.72 0.24 0.00 0.00 174.94 174.59 3i1k s TYR 275 N -0.98 0.86 0.40 1.37 -0.85 -0.78 -4.80 117.35 112.57 3i1k s TYR 275 Ca 0.14 -0.40 -0.22 0.00 -0.52 0.00 0.00 57.07 56.07 3i1k s TYR 275 Cb -0.10 -0.51 -0.11 0.00 0.38 0.00 0.00 41.96 41.62 3i1k s TYR 275 CO 0.05 -0.02 0.94 -1.25 -1.52 0.00 0.00 175.55 173.75 3i1k s PRO 276 N -1.31 4.31 0.00 -3.49 0.04 -1.26 -0.45 135.00 132.84 3i1k s PRO 276 Ca -0.04 1.16 0.01 0.00 0.04 0.00 0.00 61.00 62.16 3i1k s PRO 276 Cb -0.08 -2.34 -0.00 0.00 0.04 0.00 0.00 34.50 32.11 3i1k s PRO 276 CO 0.01 0.05 0.11 0.25 0.04 0.00 0.00 177.00 177.46 3i1k n THR 277 N -0.34 0.00 -3.77 1.26 -2.24 -1.26 -4.88 114.28 103.05 3i1k n THR 277 Ca 0.06 -0.49 -0.10 0.00 -2.27 0.00 0.00 64.05 61.25 3i1k n THR 277 Cb 0.53 1.00 -0.07 0.00 -2.10 0.00 0.00 70.33 69.70 3i1k n THR 277 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3i1k s LYS 278 N -0.89 0.89 0.18 -0.78 1.02 -1.26 -0.49 119.74 118.41 3i1k s LYS 278 Ca 0.00 -0.75 -0.10 0.00 0.02 0.00 0.00 55.97 55.13 3i1k s LYS 278 Cb 0.00 0.37 -0.00 0.00 -0.52 0.00 0.00 37.83 37.69 3i1k s LYS 278 CO 0.02 -0.30 0.34 -1.54 -0.92 0.00 0.00 175.35 172.96 3i1k s SER 279 N -2.59 -0.02 -0.36 2.83 1.04 -1.00 -4.72 113.70 108.88 3i1k s SER 279 Ca 0.01 -0.85 -0.19 0.00 0.48 0.00 0.00 55.95 55.41 3i1k s SER 279 Cb 0.02 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.62 3i1k s SER 279 CO -0.09 -0.96 0.55 -0.31 0.98 0.00 0.00 173.24 173.42 3i1k s TYR 280 N -3.97 3.16 -0.03 5.02 1.51 -0.76 -0.74 117.35 121.54 3i1k s TYR 280 Ca 0.18 0.17 -0.29 0.00 -1.01 0.00 0.00 57.07 56.12 3i1k s TYR 280 Cb 0.02 -3.02 -0.03 0.00 -0.11 0.00 0.00 41.96 38.83 3i1k s TYR 280 CO 0.02 -0.60 0.96 0.00 -1.11 0.00 0.00 175.55 174.81 3i1k s MET 282 N 1.17 0.54 0.38 0.00 -1.94 -0.17 -1.31 119.30 117.98 3i1k s MET 282 Ca 0.50 -0.40 -0.01 0.00 -1.71 0.00 0.00 55.69 54.07 3i1k s MET 282 Cb -0.20 -0.47 0.08 0.00 2.01 0.00 0.00 34.83 36.24 3i1k s MET 282 CO 0.25 0.12 0.52 -0.40 -0.01 0.00 0.00 175.02 175.50 3i1k n ASP 283 N 2.48 0.58 -4.15 3.03 5.68 -1.12 -1.15 116.55 121.88 3i1k n ASP 283 Ca -0.16 -1.52 -0.29 0.00 -0.50 0.00 0.00 54.79 52.33 3i1k n ASP 283 Cb 0.57 -0.35 -0.17 0.00 -1.14 0.00 0.00 41.12 40.03 3i1k n ASP 283 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3i1k s THR 284 N -1.57 1.70 0.26 2.12 2.01 -1.26 -4.09 115.64 114.81 3i1k s THR 284 Ca 0.34 -0.82 -0.01 0.00 0.31 0.00 0.00 61.69 61.51 3i1k s THR 284 Cb -0.02 -1.48 -0.04 0.00 0.01 0.00 0.00 72.50 70.97 3i1k s THR 284 CO 0.22 0.48 0.46 -0.04 -0.69 0.00 0.00 174.62 175.06 3i1k s MET 285 N 0.34 3.52 0.01 4.92 1.00 -0.15 -4.77 119.30 124.18 3i1k s MET 285 Ca -0.14 -0.32 -0.24 0.00 0.00 0.00 0.00 55.69 54.99 3i1k s MET 285 Cb -0.16 -2.76 -0.17 0.00 0.00 0.00 0.00 34.83 31.74 3i1k s MET 285 CO 0.06 0.30 1.35 -0.91 0.00 0.00 0.00 175.02 175.82 3i1k h ASN 286 N 1.51 0.13 -3.62 3.03 2.35 -1.99 -3.43 115.58 113.55 3i1k h ASN 286 Ca -0.49 -0.42 -0.69 0.00 -0.55 0.00 0.00 56.30 54.15 3i1k h ASN 286 Cb 1.20 -0.04 -0.21 0.00 0.05 0.00 0.00 38.32 39.33 3i1k h ASN 286 CO 0.65 0.52 -0.48 -0.47 -1.65 0.00 0.00 177.43 176.00 3i1k s TYR 287 N -4.52 3.23 0.14 1.19 6.14 -1.26 -5.05 117.35 117.22 3i1k s TYR 287 Ca -0.15 -0.50 -0.31 0.00 0.64 0.00 0.00 57.07 56.75 3i1k s TYR 287 Cb 0.03 -2.48 -0.11 0.00 0.42 0.00 0.00 41.96 39.83 3i1k s TYR 287 CO 0.70 -0.49 1.81 0.99 0.64 0.00 0.00 175.55 179.20 3i1k s THR 288 N 1.66 2.45 -0.14 4.34 2.01 -1.26 -4.94 115.64 119.76 3i1k s THR 288 Ca 0.05 0.05 0.00 0.00 0.31 0.00 0.00 61.69 62.10 3i1k s THR 288 Cb -0.18 -3.03 0.03 0.00 0.01 0.00 0.00 72.50 69.33 3i1k s THR 288 CO 0.09 0.00 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.23 3i1k s VAL 289 N 2.47 1.34 0.32 3.82 1.01 -0.71 -5.04 120.40 123.61 3i1k s VAL 289 Ca 0.80 -0.55 -0.29 0.00 0.00 0.00 0.00 61.98 61.93 3i1k s VAL 289 Cb -0.47 -1.33 -0.12 0.00 0.00 0.00 0.00 36.38 34.46 3i1k s VAL 289 CO 0.36 0.36 1.37 -2.65 0.00 0.00 0.00 175.10 174.53 3i1k n PRO 290 N 4.83 2.22 -1.95 2.72 -0.01 -1.26 -4.44 135.00 137.11 3i1k n PRO 290 Ca -0.15 0.78 -0.29 0.00 -0.01 0.00 0.00 63.50 63.84 3i1k n PRO 290 Cb 0.49 -2.42 0.07 0.00 -0.01 0.00 0.00 33.50 31.64 3i1k n PRO 290 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 175.50 175.63 3i1k s VAL 291 N -0.74 2.54 -0.05 -1.45 -7.23 -0.68 -4.74 120.40 108.05 3i1k s VAL 291 Ca 0.59 0.11 0.06 0.00 -1.81 0.00 0.00 61.98 60.93 3i1k s VAL 291 Cb -0.57 -3.16 -0.01 0.00 0.56 0.00 0.00 36.38 33.20 3i1k s VAL 291 CO 0.58 -0.21 -0.24 -1.10 -0.31 0.00 0.00 175.10 173.82 3i1k s GLN 292 N -5.45 2.39 -0.04 4.82 -0.21 -0.25 -0.23 119.66 120.69 3i1k s GLN 292 Ca 0.60 -0.87 0.01 0.00 0.02 0.00 0.00 55.36 55.12 3i1k s GLN 292 Cb -0.11 -2.07 0.02 0.00 1.00 0.00 0.00 33.01 31.85 3i1k s GLN 292 CO 0.49 0.39 -0.04 0.00 -2.12 0.00 0.00 175.29 174.01 3i1k s ALA 293 N -0.20 0.59 -0.12 6.09 0.00 -0.71 -0.34 121.76 127.06 3i1k s ALA 293 Ca -0.02 -0.03 -0.04 0.00 0.00 0.00 0.00 51.96 51.87 3i1k s ALA 293 Cb -0.13 -0.36 -0.03 0.00 0.00 0.00 0.00 23.12 22.60 3i1k s ALA 293 CO 0.03 0.00 0.01 0.08 0.00 0.00 0.00 175.76 175.88 3i1k s VAL 294 N 0.79 4.38 0.10 0.00 1.01 -0.54 -1.05 120.40 125.08 3i1k s VAL 294 Ca -0.10 -0.21 -0.35 0.00 0.00 0.00 0.00 61.98 61.32 3i1k s VAL 294 Cb -0.13 -2.89 -0.15 0.00 0.00 0.00 0.00 36.38 33.21 3i1k s VAL 294 CO -0.00 0.56 1.51 1.67 0.00 0.00 0.00 175.10 178.83 3i1k n GLN 295 N 2.69 1.71 -4.00 2.72 -0.06 -0.53 -4.62 117.38 115.28 3i1k n GLN 295 Ca -0.18 0.62 -0.32 0.00 -2.00 0.00 0.00 57.00 55.12 3i1k n GLN 295 Cb 0.53 -2.34 -0.15 0.00 -4.06 0.00 0.00 30.24 24.23 3i1k n GLN 295 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 3i1k s SER 296 N 1.03 4.79 0.20 1.69 0.15 -1.26 -4.83 113.70 115.46 3i1k s SER 296 Ca 0.83 -2.05 -0.00 0.00 0.70 0.00 0.00 55.95 55.42 3i1k s SER 296 Cb -0.81 -1.64 -0.04 0.00 -1.71 0.00 0.00 66.02 61.82 3i1k s SER 296 CO 0.43 -0.37 0.11 0.27 1.20 0.00 0.00 173.24 174.88 3i1k s ILE 297 N 0.95 0.17 0.41 6.45 -4.36 -1.26 -3.89 121.20 119.67 3i1k s ILE 297 Ca 0.08 -1.99 0.01 0.00 -0.26 0.00 0.00 60.65 58.49 3i1k s ILE 297 Cb -0.19 -2.45 -0.01 0.00 1.25 0.00 0.00 42.46 41.05 3i1k s ILE 297 CO -0.07 -0.08 0.62 0.26 0.24 0.00 0.00 174.94 175.91 3i1k s TRP 298 N -4.03 3.30 1.11 1.37 0.23 -1.26 -4.98 118.94 114.68 3i1k s TRP 298 Ca 0.36 0.24 -0.15 0.00 -2.03 0.00 0.00 56.10 54.53 3i1k s TRP 298 Cb 0.07 -2.17 0.18 0.00 0.03 0.00 0.00 33.47 31.59 3i1k s TRP 298 CO 0.11 -0.19 0.61 -1.13 0.96 0.00 0.00 176.95 177.31 3i1k n SER 299 N -1.97 -1.79 0.00 2.95 3.41 -1.26 -4.56 113.62 110.40 3i1k n SER 299 Ca -0.01 -0.04 0.07 0.00 -0.26 0.00 0.00 58.87 58.64 3i1k n SER 299 Cb 0.57 -1.17 0.33 0.00 -0.26 0.00 0.00 64.21 63.68 3i1k n SER 299 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3i1k n GLU 300 N -3.53 0.05 0.22 4.33 1.02 -1.26 -2.22 120.64 119.26 3i1k n GLU 300 Ca 0.03 0.22 0.16 0.00 -0.02 0.00 0.00 57.16 57.55 3i1k n GLU 300 Cb 0.57 -1.50 0.72 0.00 -0.02 0.00 0.00 31.44 31.21 3i1k n GLU 300 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 3i1k h ASN 301 N 0.00 0.00 -3.33 1.62 2.35 -1.97 -3.45 115.58 110.80 3i1k h ASN 301 Ca 0.00 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 55.18 3i1k h ASN 301 Cb 0.22 0.00 -0.18 0.00 0.05 0.00 0.00 38.32 38.42 3i1k h ASN 301 CO 0.00 0.00 -0.79 -0.13 -1.65 0.00 0.00 177.43 174.86 3i1k s ARG 302 N -3.64 1.38 -0.14 0.81 0.52 -0.94 -5.12 118.95 111.82 3i1k s ARG 302 Ca -0.00 -1.48 -0.29 0.00 -0.52 0.00 0.00 55.73 53.44 3i1k s ARG 302 Cb 0.09 -1.51 -0.01 0.00 0.52 0.00 0.00 34.95 34.05 3i1k s ARG 302 CO 0.39 0.31 1.07 -0.65 0.02 0.00 0.00 175.30 176.44 3i1k s GLN 303 N -2.84 4.35 0.51 3.54 -0.21 -1.26 -4.82 119.66 118.94 3i1k s GLN 303 Ca 0.18 1.45 0.06 0.00 0.02 0.00 0.00 55.36 57.07 3i1k s GLN 303 Cb -0.06 -3.59 0.02 0.00 1.00 0.00 0.00 33.01 30.38 3i1k s GLN 303 CO 0.08 -0.45 0.40 -1.12 -2.12 0.00 0.00 175.29 172.07 3i1k s SER 304 N 1.25 4.70 0.33 5.90 0.01 -1.26 -2.35 113.70 122.28 3i1k s SER 304 Ca 0.49 -1.13 0.03 0.00 1.31 0.00 0.00 55.95 56.65 3i1k s SER 304 Cb -0.19 0.16 -0.05 0.00 0.21 0.00 0.00 66.02 66.15 3i1k s SER 304 CO 0.15 -0.99 0.08 1.51 0.41 0.00 0.00 173.24 174.41 3i1k s ASP 305 N -4.24 2.18 -0.48 2.44 3.84 -1.26 -4.65 116.67 114.51 3i1k s ASP 305 Ca 0.38 -1.45 0.03 0.00 -0.00 0.00 0.00 52.55 51.52 3i1k s ASP 305 Cb -0.02 0.11 0.50 0.00 -1.38 0.00 0.00 42.92 42.12 3i1k s ASP 305 CO 0.23 -0.71 1.71 -0.67 -0.00 0.00 0.00 175.17 175.73 3i1k n ASP 306 N -0.77 5.44 -0.32 2.11 2.03 -1.26 -4.74 116.55 119.04 3i1k n ASP 306 Ca -0.02 -3.76 0.05 0.00 0.52 0.00 0.00 54.79 51.58 3i1k n ASP 306 Cb 0.66 -0.74 0.20 0.00 -0.72 0.00 0.00 41.12 40.51 3i1k n ASP 306 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3i1k h ALA 307 N 1.70 1.30 -0.40 -1.67 0.00 -1.96 -1.28 119.26 116.95 3i1k h ALA 307 Ca 0.49 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.37 3i1k h ALA 307 Cb 1.46 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 3i1k h ALA 307 CO 1.10 0.13 0.01 0.82 0.00 0.00 0.00 179.25 181.31 3i1k h ILE 308 N 0.85 1.26 -0.62 0.00 1.08 -1.94 -0.84 117.51 117.31 3i1k h ILE 308 Ca 0.44 -0.98 -0.03 0.00 -0.39 0.00 0.00 64.86 63.90 3i1k h ILE 308 Cb 0.43 1.11 -0.03 0.00 -3.07 0.00 0.00 36.82 35.25 3i1k h ILE 308 CO -0.26 0.33 0.28 1.23 -0.69 0.00 0.00 178.15 179.04 3i1k h GLY 309 N 0.53 0.94 1.89 5.37 0.00 -1.78 0.11 103.07 110.14 3i1k h GLY 309 Ca 0.12 -0.46 -0.15 0.00 0.00 0.00 0.00 47.33 46.84 3i1k h GLY 309 CO 0.02 0.44 -0.66 1.46 0.00 0.00 0.00 176.54 177.80 3i1k h GLN 310 N 0.88 0.11 0.10 4.80 4.20 -0.94 -3.32 115.11 120.95 3i1k h GLN 310 Ca 0.21 -0.08 -0.31 0.00 0.06 0.00 0.00 58.65 58.53 3i1k h GLN 310 Cb 0.12 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 3i1k h GLN 310 CO -0.02 0.73 -1.61 0.00 -0.67 0.00 0.00 178.83 177.25 3i1k h ALA 311 N 1.25 0.36 -1.84 3.87 0.00 -0.69 -3.42 119.26 118.78 3i1k h ALA 311 Ca -0.01 -1.19 -0.68 0.00 0.00 0.00 0.00 54.91 53.03 3i1k h ALA 311 Cb 1.17 0.36 -0.17 0.00 0.00 0.00 0.00 17.79 19.16 3i1k h ALA 311 CO 0.09 1.22 0.89 0.00 0.00 0.00 0.00 179.25 181.45 3i1k s LYS 313 N 2.95 1.78 0.48 0.00 -0.14 -1.26 -4.46 119.74 119.09 3i1k s LYS 313 Ca 0.34 -1.14 -0.23 0.00 -1.36 0.00 0.00 55.97 53.58 3i1k s LYS 313 Cb -0.05 -2.03 -0.08 0.00 -1.68 0.00 0.00 37.83 34.00 3i1k s LYS 313 CO -0.09 0.50 1.21 0.45 -0.76 0.00 0.00 175.35 176.67 3i1k n SER 314 N 1.42 2.15 -1.09 2.83 2.88 -1.22 -1.96 113.62 118.65 3i1k n SER 314 Ca -0.17 1.02 0.11 0.00 -1.33 0.00 0.00 58.87 58.50 3i1k n SER 314 Cb 0.52 -1.49 0.25 0.00 -0.75 0.00 0.00 64.21 62.75 3i1k n SER 314 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3i1k n PRO 315 N -0.39 2.41 -0.00 -1.46 -0.04 -1.26 -4.87 135.00 129.39 3i1k n PRO 315 Ca 0.09 -2.14 0.10 0.00 -0.04 0.00 0.00 63.50 61.51 3i1k n PRO 315 Cb 0.42 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.27 3i1k n PRO 315 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 3i1k n TYR 316 N 1.32 0.00 -3.76 0.54 0.18 -0.99 -4.72 117.16 109.74 3i1k n TYR 316 Ca 0.19 0.00 -0.13 0.00 1.88 0.00 0.00 57.90 59.85 3i1k n TYR 316 Cb 0.56 -0.07 -0.11 0.00 -0.38 0.00 0.00 39.34 39.34 3i1k n TYR 316 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 3i1k s ILE 318 N 0.41 4.71 -0.15 0.00 1.01 0.68 -3.37 121.20 124.49 3i1k s ILE 318 Ca -0.02 -0.73 -0.19 0.00 0.00 0.00 0.00 60.65 59.71 3i1k s ILE 318 Cb -0.04 -3.58 -0.04 0.00 0.01 0.00 0.00 42.46 38.82 3i1k s ILE 318 CO -0.02 -0.19 0.54 0.12 0.00 0.00 0.00 174.94 175.39 3i1k s PHE 319 N 1.59 3.46 -0.45 3.97 5.36 -1.26 -1.74 117.98 128.90 3i1k s PHE 319 Ca 0.03 0.91 -0.07 0.00 -0.96 0.00 0.00 56.93 56.83 3i1k s PHE 319 Cb -0.19 -2.65 0.12 0.00 -0.34 0.00 0.00 43.02 39.96 3i1k s PHE 319 CO 0.07 0.03 0.30 0.71 -1.46 0.00 0.00 175.22 174.88 3i1k s TYR 320 N 1.11 3.48 0.61 10.12 2.02 -0.22 -4.98 117.35 129.49 3i1k s TYR 320 Ca 0.27 -2.03 -0.14 0.00 -0.37 0.00 0.00 57.07 54.79 3i1k s TYR 320 Cb -0.16 -3.41 -0.03 0.00 -0.40 0.00 0.00 41.96 37.96 3i1k s TYR 320 CO 0.11 -0.99 1.04 1.21 -1.57 0.00 0.00 175.55 175.36 3i1k s ASN 321 N 2.41 5.88 0.14 2.29 3.84 -1.26 -1.45 114.94 126.79 3i1k s ASN 321 Ca 0.06 1.69 -0.26 0.00 0.21 0.00 0.00 52.86 54.56 3i1k s ASN 321 Cb -0.25 -2.51 -0.07 0.00 -0.55 0.00 0.00 41.25 37.86 3i1k s ASN 321 CO -0.02 -1.10 0.80 -0.54 -2.79 0.00 0.00 177.10 173.46 3i1k s LYS 322 N -4.39 4.59 -0.01 0.43 1.02 -1.26 -4.87 119.74 115.25 3i1k s LYS 322 Ca 0.61 1.19 0.22 0.00 0.02 0.00 0.00 55.97 58.00 3i1k s LYS 322 Cb -0.14 -3.29 -0.27 0.00 -0.52 0.00 0.00 37.83 33.61 3i1k s LYS 322 CO 0.42 0.48 0.69 0.25 -0.92 0.00 0.00 175.35 176.26 3i1k n THR 323 N 1.94 0.02 -4.34 2.17 -2.24 -1.26 -4.97 114.28 105.59 3i1k n THR 323 Ca -0.04 -0.28 -0.25 0.00 -2.27 0.00 0.00 64.05 61.20 3i1k n THR 323 Cb 0.49 0.41 -0.09 0.00 -2.10 0.00 0.00 70.33 69.04 3i1k n THR 323 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3i1k s LYS 324 N -3.29 2.09 0.95 -0.78 1.02 -1.26 -5.15 119.74 113.32 3i1k s LYS 324 Ca -0.01 -1.87 -0.11 0.00 0.02 0.00 0.00 55.97 54.00 3i1k s LYS 324 Cb 0.15 -1.87 0.16 0.00 -0.52 0.00 0.00 37.83 35.75 3i1k s LYS 324 CO 0.89 0.01 1.10 -2.14 -0.92 0.00 0.00 175.35 174.28 3i1k s PRO 325 N -3.77 0.80 -0.18 -1.68 0.02 -1.26 -4.97 135.00 123.97 3i1k s PRO 325 Ca 0.37 1.14 -0.29 0.00 0.02 0.00 0.00 61.00 62.24 3i1k s PRO 325 Cb 0.04 -1.73 -0.03 0.00 0.02 0.00 0.00 34.50 32.80 3i1k s PRO 325 CO 0.20 -2.65 1.54 -0.47 -0.33 0.00 0.00 177.00 175.29 3i1k s TYR 326 N -2.72 2.25 -0.15 6.54 5.04 -1.26 -4.92 117.35 122.13 3i1k s TYR 326 Ca 0.65 0.57 -0.04 0.00 -2.44 0.00 0.00 57.07 55.81 3i1k s TYR 326 Cb -0.21 -3.88 0.07 0.00 0.35 0.00 0.00 41.96 38.29 3i1k s TYR 326 CO 0.59 -2.84 0.18 -0.51 -1.34 0.00 0.00 175.55 171.64 3i1k s LEU 327 N 4.56 -0.05 -0.55 6.97 1.43 -1.26 -4.54 118.68 125.24 3i1k s LEU 327 Ca 0.68 -0.03 0.07 0.00 -1.03 0.00 0.00 54.13 53.82 3i1k s LEU 327 Cb -0.26 0.28 0.31 0.00 0.03 0.00 0.00 46.19 46.56 3i1k s LEU 327 CO 0.26 -0.30 0.82 0.00 0.23 0.00 0.00 176.35 177.37 3i1k n ALA 328 N 5.32 3.90 0.30 4.21 0.00 -1.26 -1.56 120.51 131.42 3i1k n ALA 328 Ca -0.05 -4.40 0.19 0.00 0.00 0.00 0.00 53.44 49.17 3i1k n ALA 328 Cb 0.50 -0.81 0.83 0.00 0.00 0.00 0.00 19.45 19.96 3i1k n ALA 328 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3i1k h PRO 329 N 3.39 0.00 -0.43 0.00 0.13 -1.91 -1.98 132.00 131.19 3i1k h PRO 329 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3i1k h PRO 329 Cb 0.65 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.78 3i1k h PRO 329 CO 0.74 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.60 3i1k n ASN 330 N -3.08 3.23 -2.73 1.44 3.02 -1.26 -5.03 115.26 110.85 3i1k n ASN 330 Ca -0.00 -1.94 -0.07 0.00 -0.03 0.00 0.00 54.58 52.53 3i1k n ASN 330 Cb 0.24 -0.29 0.04 0.00 -0.61 0.00 0.00 39.78 39.17 3i1k n ASN 330 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i1k n GLY 331 N 1.05 0.29 0.18 7.41 0.00 -0.75 -4.93 105.19 108.44 3i1k n GLY 331 Ca 0.16 -1.91 -0.12 0.00 0.00 0.00 0.00 46.02 44.16 3i1k n GLY 331 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1k h ALA 332 N -0.82 0.51 -2.77 4.61 0.00 -0.33 -3.48 119.26 116.99 3i1k h ALA 332 Ca -0.11 -0.63 0.02 0.00 0.00 0.00 0.00 54.91 54.20 3i1k h ALA 332 Cb 0.37 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 3i1k h ALA 332 CO 0.10 0.76 0.33 -0.40 0.00 0.00 0.00 179.25 180.04 3i1k n ASP 333 N -3.83 -1.93 0.19 0.00 5.68 -1.24 -5.01 116.55 110.39 3i1k n ASP 333 Ca -0.05 -2.26 0.14 0.00 -0.50 0.00 0.00 54.79 52.11 3i1k n ASP 333 Cb 0.74 3.20 0.64 0.00 -1.14 0.00 0.00 41.12 44.55 3i1k n ASP 333 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 3i1k h GLU 334 N 0.00 0.00 -0.28 0.11 4.11 -1.93 -2.65 114.58 113.95 3i1k h GLU 334 Ca -0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.14 3i1k h GLU 334 Cb 1.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.35 3i1k h GLU 334 CO 0.37 0.00 0.00 0.09 0.07 0.00 0.00 179.01 179.54 3i1k n ASN 335 N -2.46 2.90 -3.59 3.06 3.02 -1.26 -4.42 115.26 112.51 3i1k n ASN 335 Ca 0.00 -2.16 -0.25 0.00 -0.03 0.00 0.00 54.58 52.14 3i1k n ASN 335 Cb 0.16 -0.24 -0.16 0.00 -0.61 0.00 0.00 39.78 38.92 3i1k n ASN 335 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 3i1k s HIS 336 N -1.29 0.13 0.00 3.10 3.76 -1.00 -4.93 115.29 115.06 3i1k s HIS 336 Ca 0.22 -0.25 0.00 0.00 -0.15 0.00 0.00 55.06 54.88 3i1k s HIS 336 Cb 0.14 -0.65 0.00 0.00 1.11 0.00 0.00 32.58 33.17 3i1k s HIS 336 CO 0.12 -0.53 0.00 0.41 -0.85 0.00 0.00 174.74 173.89 3i1k n GLY 337 N 5.28 0.97 3.71 -2.22 0.00 -1.26 -1.71 105.19 109.97 3i1k n GLY 337 Ca -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 3i1k n GLY 337 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3i1k s ASP 338 N -0.08 7.01 0.16 1.61 3.68 -1.26 -4.00 116.67 123.78 3i1k s ASP 338 Ca 0.00 2.09 -0.16 0.00 2.13 0.00 0.00 52.55 56.61 3i1k s ASP 338 Cb 0.00 -2.58 0.03 0.00 -1.45 0.00 0.00 42.92 38.92 3i1k s ASP 338 CO 0.00 -0.53 1.81 -0.33 0.13 0.00 0.00 175.17 176.26 3i1k h GLU 339 N 6.85 0.54 0.18 4.34 4.39 -1.67 -1.00 114.58 128.22 3i1k h GLU 339 Ca -0.41 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.24 3i1k h GLU 339 Cb 1.21 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.74 3i1k h GLU 339 CO 0.83 0.35 -0.09 1.49 -1.16 0.00 0.00 179.01 180.44 3i1k h GLU 340 N 0.55 -0.24 -0.65 2.33 4.81 -1.91 -1.33 114.58 118.14 3i1k h GLU 340 Ca 0.16 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.38 3i1k h GLU 340 Cb -0.05 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 3i1k h GLU 340 CO -0.04 0.03 0.33 0.28 -0.73 0.00 0.00 179.01 178.87 3i1k h VAL 341 N -0.50 1.22 -0.63 0.32 2.07 -1.91 -0.15 116.25 116.68 3i1k h VAL 341 Ca -0.03 -0.60 0.12 0.00 0.82 0.00 0.00 66.70 67.01 3i1k h VAL 341 Cb 0.38 0.41 -0.09 0.00 -1.52 0.00 0.00 31.29 30.47 3i1k h VAL 341 CO 0.04 0.25 0.14 0.03 0.02 0.00 0.00 177.57 178.06 3i1k h ARG 342 N 0.90 0.26 -0.38 1.57 3.08 -1.09 0.11 114.38 118.84 3i1k h ARG 342 Ca 0.23 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.22 3i1k h ARG 342 Cb 0.10 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 3i1k h ARG 342 CO -0.03 0.17 0.09 0.37 -1.07 0.00 0.00 179.97 179.50 3i1k h GLN 343 N 0.27 0.60 -0.68 0.04 5.75 -0.65 -2.73 115.11 117.71 3i1k h GLN 343 Ca 0.34 -0.15 0.07 0.00 -0.15 0.00 0.00 58.65 58.76 3i1k h GLN 343 Cb 0.51 -0.08 -0.06 0.00 1.07 0.00 0.00 27.48 28.92 3i1k h GLN 343 CO -0.42 0.64 0.36 0.52 -2.65 0.00 0.00 178.83 177.28 3i1k h MET 344 N 0.46 0.62 0.00 1.69 2.86 -0.24 -2.67 114.93 117.65 3i1k h MET 344 Ca 0.12 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 3i1k h MET 344 Cb 0.31 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.83 3i1k h MET 344 CO 0.00 0.41 0.00 0.52 1.06 0.00 0.00 176.91 178.90 3i1k h MET 345 N 0.64 0.00 -0.53 1.72 2.86 -0.65 -2.19 114.93 116.79 3i1k h MET 345 Ca 0.32 0.00 0.15 0.00 -2.06 0.00 0.00 59.70 58.11 3i1k h MET 345 Cb 0.26 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.90 3i1k h MET 345 CO -0.22 0.00 0.38 1.96 1.06 0.00 0.00 176.91 180.09 3i1k h GLN 346 N 0.00 0.00 0.00 1.72 1.08 -1.17 -0.97 115.11 115.77 3i1k h GLN 346 Ca 0.00 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3i1k h GLN 346 Cb 0.50 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.93 3i1k h GLN 346 CO 0.00 0.00 -0.00 0.78 -0.95 0.00 0.00 178.83 178.66 3i1k h GLY 347 N 0.00 0.00 1.64 3.46 0.00 -1.54 -0.91 103.07 105.72 3i1k h GLY 347 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.58 3i1k h GLY 347 CO -0.00 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.58 3i1k n LEU 348 N -3.77 0.00 0.12 3.11 4.77 -0.37 -2.72 117.00 118.13 3i1k n LEU 348 Ca -0.03 0.32 0.12 0.00 -0.03 0.00 0.00 56.01 56.39 3i1k n LEU 348 Cb 0.08 -0.32 0.19 0.00 -2.33 0.00 0.00 43.42 41.04 3i1k n LEU 348 CO 0.27 -0.09 0.52 -0.07 -1.33 0.00 0.00 177.39 176.68 3i1k h LEU 349 N 0.00 0.00 -9.84 2.23 3.38 -1.32 -3.47 115.31 106.30 3i1k h LEU 349 Ca 0.00 -0.07 -0.53 0.00 0.09 0.00 0.00 57.88 57.37 3i1k h LEU 349 Cb 0.23 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 3i1k h LEU 349 CO 0.00 0.03 0.06 -0.69 0.09 0.00 0.00 178.44 177.93 3i1k s VAL 350 N -3.20 4.64 -0.79 1.22 1.01 -1.10 -5.02 120.40 117.16 3i1k s VAL 350 Ca 0.06 1.19 -0.22 0.00 0.00 0.00 0.00 61.98 63.01 3i1k s VAL 350 Cb 0.10 -3.84 0.09 0.00 0.00 0.00 0.00 36.38 32.73 3i1k s VAL 350 CO 0.69 0.25 1.08 0.20 0.00 0.00 0.00 175.10 177.32 3i1k s ASN 351 N -1.62 6.35 0.50 3.32 0.01 -1.26 -4.59 114.94 117.65 3i1k s ASN 351 Ca 0.41 -1.34 0.01 0.00 -0.71 0.00 0.00 52.86 51.22 3i1k s ASN 351 Cb -0.17 -2.44 0.01 0.00 0.41 0.00 0.00 41.25 39.07 3i1k s ASN 351 CO 0.21 -1.35 0.72 -0.44 -1.51 0.00 0.00 177.10 174.72 3i1k s SER 352 N 3.80 5.59 -0.00 -1.22 0.01 -1.00 -4.80 113.70 116.07 3i1k s SER 352 Ca 0.29 0.16 0.06 0.00 1.31 0.00 0.00 55.95 57.76 3i1k s SER 352 Cb -0.11 -1.25 -0.07 0.00 0.21 0.00 0.00 66.02 64.80 3i1k s SER 352 CO 0.02 -0.90 0.21 -1.54 0.41 0.00 0.00 173.24 171.44 3i1k n SER 353 N -2.20 1.17 -3.83 2.44 3.41 -0.16 -4.26 113.62 110.19 3i1k n SER 353 Ca 0.04 -0.47 -0.15 0.00 -0.26 0.00 0.00 58.87 58.04 3i1k n SER 353 Cb 0.59 1.07 -0.15 0.00 -0.26 0.00 0.00 64.21 65.45 3i1k n SER 353 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i1k s VAL 355 N 0.68 2.35 0.24 0.00 1.01 -0.69 -2.01 120.40 121.98 3i1k s VAL 355 Ca -0.06 -0.93 -0.16 0.00 0.00 0.00 0.00 61.98 60.83 3i1k s VAL 355 Cb -0.09 -1.91 0.01 0.00 0.00 0.00 0.00 36.38 34.38 3i1k s VAL 355 CO -0.01 0.55 0.53 -0.94 0.00 0.00 0.00 175.10 175.23 3i1k s SER 356 N 0.20 -0.16 0.64 3.32 1.04 -0.95 -1.40 113.70 116.37 3i1k s SER 356 Ca -0.13 -0.75 0.41 0.00 0.48 0.00 0.00 55.95 55.97 3i1k s SER 356 Cb -0.16 0.61 2.20 0.00 0.10 0.00 0.00 66.02 68.77 3i1k s SER 356 CO 0.07 -1.15 2.30 -0.65 0.98 0.00 0.00 173.24 174.78 3i1k h PRO 357 N 2.20 0.00 -0.00 4.02 0.11 -1.78 -0.24 132.00 136.30 3i1k h PRO 357 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 3i1k h PRO 357 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3i1k h PRO 357 CO 0.34 0.01 -0.17 1.04 -0.21 0.00 0.00 178.00 179.00 3i1k n GLN 358 N -3.17 0.55 0.00 1.05 3.00 -1.26 -4.90 117.38 112.65 3i1k n GLN 358 Ca -0.02 -0.22 0.00 0.00 -0.01 0.00 0.00 57.00 56.75 3i1k n GLN 358 Cb 0.11 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 28.86 3i1k n GLN 358 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3i1k n GLY 359 N 1.34 -0.85 3.77 1.08 0.00 -0.10 -3.86 105.19 106.57 3i1k n GLY 359 Ca 0.12 -2.14 -0.28 0.00 0.00 0.00 0.00 46.02 43.72 3i1k n GLY 359 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i1k s SER 360 N -4.00 5.42 0.02 1.61 1.04 -0.51 -2.25 113.70 115.04 3i1k s SER 360 Ca 0.00 -0.11 0.01 0.00 0.48 0.00 0.00 55.95 56.33 3i1k s SER 360 Cb 0.00 -1.40 -0.01 0.00 0.10 0.00 0.00 66.02 64.70 3i1k s SER 360 CO 0.00 0.12 -0.04 0.42 0.98 0.00 0.00 173.24 174.71 3i1k s THR 361 N -1.58 0.29 0.80 2.02 -4.23 -0.85 -0.66 115.64 111.43 3i1k s THR 361 Ca 0.30 -0.66 -0.13 0.00 -1.18 0.00 0.00 61.69 60.02 3i1k s THR 361 Cb -0.11 -0.35 0.20 0.00 1.34 0.00 0.00 72.50 73.58 3i1k s THR 361 CO 0.22 -0.24 0.76 -0.81 -0.54 0.00 0.00 174.62 174.01 3i1k n PRO 362 N 2.11 -2.19 -2.04 3.99 -0.04 -1.26 -0.98 135.00 134.59 3i1k n PRO 362 Ca -0.19 -1.20 -0.42 0.00 -0.04 0.00 0.00 63.50 61.64 3i1k n PRO 362 Cb 0.56 -1.07 -0.03 0.00 -0.04 0.00 0.00 33.50 32.93 3i1k n PRO 362 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3i1k s LEU 363 N 0.00 4.33 0.20 1.53 2.96 -1.26 -4.53 118.68 121.90 3i1k s LEU 363 Ca 0.48 2.27 -0.18 0.00 -0.22 0.00 0.00 54.13 56.48 3i1k s LEU 363 Cb -0.04 -3.55 0.03 0.00 0.50 0.00 0.00 46.19 43.13 3i1k s LEU 363 CO 0.36 -0.87 0.54 0.00 -1.32 0.00 0.00 176.35 175.06 3i1k s ALA 364 N 3.29 -1.00 -0.17 5.97 0.00 -1.26 -5.08 121.76 123.52 3i1k s ALA 364 Ca 0.71 -0.17 -0.24 0.00 0.00 0.00 0.00 51.96 52.26 3i1k s ALA 364 Cb -0.35 0.85 -0.21 0.00 0.00 0.00 0.00 23.12 23.42 3i1k s ALA 364 CO 0.29 -0.81 0.46 1.25 0.00 0.00 0.00 175.76 176.96 3i1k h LEU 365 N 2.17 0.00 -9.00 0.00 5.85 -1.93 -3.34 115.31 109.06 3i1k h LEU 365 Ca -0.29 -0.71 -0.67 0.00 0.84 0.00 0.00 57.88 57.05 3i1k h LEU 365 Cb 1.27 0.00 -0.20 0.00 0.37 0.00 0.00 40.66 42.10 3i1k h LEU 365 CO 0.37 1.19 -0.84 -0.31 -0.34 0.00 0.00 178.44 178.51 3i1k s TYR 366 N -2.26 2.34 0.02 1.25 1.51 -1.26 -2.00 117.35 116.95 3i1k s TYR 366 Ca -0.23 -0.35 0.05 0.00 -1.01 0.00 0.00 57.07 55.54 3i1k s TYR 366 Cb 0.01 -1.21 -0.03 0.00 -0.11 0.00 0.00 41.96 40.62 3i1k s TYR 366 CO 0.61 0.42 -0.13 0.45 -1.11 0.00 0.00 175.55 175.79 3i1k s SER 367 N -2.38 4.14 0.22 2.29 0.15 0.17 -1.41 113.70 116.89 3i1k s SER 367 Ca 0.18 -0.29 0.24 0.00 0.70 0.00 0.00 55.95 56.78 3i1k s SER 367 Cb -0.09 -0.82 0.92 0.00 -1.71 0.00 0.00 66.02 64.32 3i1k s SER 367 CO 0.09 0.27 1.72 -1.54 1.20 0.00 0.00 173.24 174.98 3i1k n SER 368 N 1.62 0.65 -3.95 5.45 3.41 0.04 -1.84 113.62 119.01 3i1k n SER 368 Ca -0.16 0.62 -0.08 0.00 -0.26 0.00 0.00 58.87 58.99 3i1k n SER 368 Cb 0.52 -0.78 -0.09 0.00 -0.26 0.00 0.00 64.21 63.61 3i1k n SER 368 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 3i1k s GLU 369 N -3.23 0.72 0.27 4.33 -1.05 -1.26 -4.90 118.70 113.59 3i1k s GLU 369 Ca 0.07 -1.02 -0.29 0.00 -0.15 0.00 0.00 54.97 53.57 3i1k s GLU 369 Cb 0.10 0.28 -0.10 0.00 -0.44 0.00 0.00 34.13 33.97 3i1k s GLU 369 CO 0.45 -0.19 1.36 -1.64 0.95 0.00 0.00 175.26 176.19 3i1k s MET 370 N -3.69 4.33 -0.22 -4.83 -1.94 -1.26 -4.54 119.30 107.15 3i1k s MET 370 Ca 0.04 2.21 -0.07 0.00 -1.71 0.00 0.00 55.69 56.17 3i1k s MET 370 Cb 0.05 -3.11 -0.03 0.00 2.01 0.00 0.00 34.83 33.75 3i1k s MET 370 CO -0.10 -0.29 0.05 0.42 -0.01 0.00 0.00 175.02 175.10 3i1k s ILE 371 N -0.46 4.33 0.56 2.53 1.01 -1.26 -4.94 121.20 122.98 3i1k s ILE 371 Ca 0.54 -0.18 0.09 0.00 0.00 0.00 0.00 60.65 61.11 3i1k s ILE 371 Cb -0.40 -2.99 0.07 0.00 0.01 0.00 0.00 42.46 39.15 3i1k s ILE 371 CO 0.46 0.39 0.70 -0.31 0.00 0.00 0.00 174.94 176.18 3i1k s TYR 372 N 1.16 1.48 0.29 3.97 2.02 -1.26 -5.07 117.35 119.95 3i1k s TYR 372 Ca 0.04 -0.75 0.01 0.00 -0.37 0.00 0.00 57.07 56.00 3i1k s TYR 372 Cb -0.14 -2.14 -0.04 0.00 -0.40 0.00 0.00 41.96 39.24 3i1k s TYR 372 CO 0.03 -0.98 0.48 0.96 -1.57 0.00 0.00 175.55 174.47 3i1k s ILE 373 N -2.69 5.15 0.16 2.71 -4.36 -1.26 -4.06 121.20 116.86 3i1k s ILE 373 Ca 0.55 -0.50 -0.30 0.00 -0.26 0.00 0.00 60.65 60.14 3i1k s ILE 373 Cb -0.05 -3.82 -0.08 0.00 1.25 0.00 0.00 42.46 39.76 3i1k s ILE 373 CO 0.35 -0.41 1.29 -2.16 0.24 0.00 0.00 174.94 174.24 3i1k s PRO 374 N -3.97 4.40 0.15 0.37 0.05 -1.26 -4.86 135.00 129.89 3i1k s PRO 374 Ca 0.39 1.98 0.00 0.00 0.05 0.00 0.00 61.00 63.42 3i1k s PRO 374 Cb -0.10 -3.23 -0.04 0.00 0.05 0.00 0.00 34.50 31.17 3i1k s PRO 374 CO 0.33 -0.25 0.03 0.54 0.05 0.00 0.00 177.00 177.70 3i1k s ASN 375 N 0.52 0.79 0.24 6.66 2.20 -1.26 -3.73 114.94 120.37 3i1k s ASN 375 Ca 0.58 -1.19 -0.14 0.00 -0.94 0.00 0.00 52.86 51.16 3i1k s ASN 375 Cb -0.35 0.20 0.00 0.00 -2.00 0.00 0.00 41.25 39.10 3i1k s ASN 375 CO 0.35 -0.65 0.50 -0.72 -2.94 0.00 0.00 177.10 173.64 3i1k s TYR 376 N -3.84 0.27 0.00 1.54 -0.85 -0.50 -4.99 117.35 108.98 3i1k s TYR 376 Ca 0.24 -0.64 0.00 0.00 -0.52 0.00 0.00 57.07 56.15 3i1k s TYR 376 Cb 0.07 0.25 0.00 0.00 0.38 0.00 0.00 41.96 42.66 3i1k s TYR 376 CO 0.03 -1.01 0.00 0.41 -1.52 0.00 0.00 175.55 173.46 3i1k n GLY 377 N -0.38 0.22 3.18 5.49 0.00 -1.26 -1.70 105.19 110.73 3i1k n GLY 377 Ca -0.03 -1.66 -0.35 0.00 0.00 0.00 0.00 46.02 43.99 3i1k n GLY 377 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i1k s SER 378 N -4.00 4.75 -0.11 1.61 0.15 0.61 -4.96 113.70 111.75 3i1k s SER 378 Ca 0.00 -1.17 -0.03 0.00 0.70 0.00 0.00 55.95 55.44 3i1k s SER 378 Cb 0.00 -1.70 -0.03 0.00 -1.71 0.00 0.00 66.02 62.58 3i1k s SER 378 CO 0.00 -0.23 0.03 0.00 1.20 0.00 0.00 173.24 174.24 3i1k s PRO 380 N -0.64 2.58 0.11 0.00 0.04 -1.25 -5.02 135.00 130.82 3i1k s PRO 380 Ca 0.11 1.53 0.04 0.00 0.04 0.00 0.00 61.00 62.72 3i1k s PRO 380 Cb -0.12 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.47 3i1k s PRO 380 CO 0.02 -1.44 0.11 -0.65 0.04 0.00 0.00 177.00 175.08 3i1k s GLN 381 N -3.99 2.90 0.08 4.56 -0.21 -0.85 -4.58 119.66 117.57 3i1k s GLN 381 Ca 0.70 -0.76 -0.31 0.00 0.02 0.00 0.00 55.36 55.01 3i1k s GLN 381 Cb -0.24 -2.70 -0.09 0.00 1.00 0.00 0.00 33.01 30.98 3i1k s GLN 381 CO 0.42 0.53 1.85 -0.47 -2.12 0.00 0.00 175.29 175.50 3i1k s TYR 382 N -1.54 1.88 0.28 0.91 6.04 -1.26 -0.66 117.35 123.00 3i1k s TYR 382 Ca 0.30 -0.12 0.00 0.00 0.04 0.00 0.00 57.07 57.30 3i1k s TYR 382 Cb -0.11 -4.16 0.53 0.00 -1.04 0.00 0.00 41.96 37.18 3i1k s TYR 382 CO 0.23 -4.93 1.83 0.10 -1.54 0.00 0.00 175.55 171.23 3i1k h TYR 383 N 9.28 1.08 -0.01 4.97 -0.00 -1.70 -2.13 116.97 128.47 3i1k h TYR 383 Ca -0.46 0.03 0.00 0.00 -0.00 0.00 0.00 58.73 58.30 3i1k h TYR 383 Cb 1.22 -0.34 -0.00 0.00 -0.00 0.00 0.00 36.73 37.61 3i1k h TYR 383 CO 0.85 0.42 0.16 0.87 -0.00 0.00 0.00 178.16 180.46 3i1k h LYS 384 N 0.94 0.00 0.00 0.10 1.57 -1.90 -1.93 116.57 115.36 3i1k h LYS 384 Ca 0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.26 3i1k h LYS 384 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.80 3i1k h LYS 384 CO -0.27 0.00 0.00 -0.07 -0.57 0.00 0.00 179.45 178.54 3i1k h LEU 385 N 0.00 0.00 -1.82 2.94 3.38 -1.76 -3.56 115.31 114.48 3i1k h LEU 385 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3i1k h LEU 385 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 3i1k h LEU 385 CO -0.00 0.00 0.00 0.49 0.09 0.00 0.00 178.44 179.02