#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 4.32 0.35 1.64 0.02 -1.26 -4.80 135.00 135.27 3i1k s PRO 26 Ca 0.00 2.21 -0.06 0.00 0.02 0.00 0.00 61.00 63.17 3i1k s PRO 26 Cb 0.00 -3.12 -0.05 0.00 0.02 0.00 0.00 34.50 31.35 3i1k s PRO 26 CO 0.00 -0.31 0.63 0.96 -0.33 0.00 0.00 177.00 177.95 3i1k s ILE 27 N -0.28 4.96 -0.17 2.83 -5.25 -0.26 -4.54 121.20 118.49 3i1k s ILE 27 Ca 0.56 0.16 -0.04 0.00 -0.99 0.00 0.00 60.65 60.34 3i1k s ILE 27 Cb -0.40 -3.76 -0.03 0.00 2.95 0.00 0.00 42.46 41.23 3i1k s ILE 27 CO 0.44 -0.46 -0.03 -0.89 -1.79 0.00 0.00 174.94 172.22 3i1k s THR 28 N -2.25 3.86 0.40 8.37 2.01 -1.26 -1.00 115.64 125.77 3i1k s THR 28 Ca 0.46 -0.36 -0.27 0.00 0.31 0.00 0.00 61.69 61.83 3i1k s THR 28 Cb -0.10 -2.71 -0.09 0.00 0.01 0.00 0.00 72.50 69.60 3i1k s THR 28 CO 0.33 0.47 1.41 -2.84 -0.69 0.00 0.00 174.62 173.30 3i1k s PRO 29 N 0.58 3.96 -0.38 4.92 0.02 -1.26 -4.93 135.00 137.91 3i1k s PRO 29 Ca -0.02 2.40 -0.28 0.00 0.02 0.00 0.00 61.00 63.12 3i1k s PRO 29 Cb -0.14 -2.83 0.02 0.00 0.02 0.00 0.00 34.50 31.57 3i1k s PRO 29 CO 0.02 -0.59 1.02 -1.58 -0.33 0.00 0.00 177.00 175.55 3i1k s HIS 30 N -1.18 3.04 -0.28 6.54 2.46 -0.08 -4.81 115.29 120.98 3i1k s HIS 30 Ca 0.56 0.88 -0.28 0.00 0.47 0.00 0.00 55.06 56.69 3i1k s HIS 30 Cb -0.43 -3.85 -0.03 0.00 -0.13 0.00 0.00 32.58 28.13 3i1k s HIS 30 CO 0.57 -0.92 1.98 -0.47 -2.47 0.00 0.00 174.74 173.43 3i1k s TYR 31 N 3.77 1.53 -5.00 3.88 6.14 -1.25 -1.94 117.35 124.48 3i1k s TYR 31 Ca 0.43 0.58 0.00 0.00 0.64 0.00 0.00 57.07 58.72 3i1k s TYR 31 Cb -0.11 -4.04 0.00 0.00 0.42 0.00 0.00 41.96 38.23 3i1k s TYR 31 CO 0.21 -3.45 0.00 0.41 0.64 0.00 0.00 175.55 173.36 3i1k n GLY 32 N 5.56 -0.02 3.81 8.97 0.00 -1.26 -4.34 105.19 117.91 3i1k n GLY 32 Ca 0.26 -1.58 -0.29 0.00 0.00 0.00 0.00 46.02 44.41 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 -2.00 1.78 0.38 1.61 0.04 -1.26 -4.08 135.00 131.47 3i1k s PRO 33 Ca 0.00 0.45 -0.16 0.00 0.04 0.00 0.00 61.00 61.34 3i1k s PRO 33 Cb 0.00 -1.90 0.06 0.00 0.04 0.00 0.00 34.50 32.70 3i1k s PRO 33 CO 0.00 -1.79 0.81 0.20 0.04 0.00 0.00 177.00 176.26 3i1k s GLY 34 N -4.04 0.37 -0.02 0.56 0.00 -1.26 -3.53 107.32 99.40 3i1k s GLY 34 Ca 0.62 -0.74 -0.10 0.00 0.00 0.00 0.00 44.72 44.49 3i1k s GLY 34 CO 0.53 -0.14 0.22 -2.38 0.00 0.00 0.00 173.10 171.34 3i1k s HIS 35 N -2.23 -0.10 -0.23 1.90 -3.43 -1.26 -4.95 115.29 104.98 3i1k s HIS 35 Ca 0.16 0.18 0.13 0.00 -0.80 0.00 0.00 55.06 54.73 3i1k s HIS 35 Cb -0.05 0.03 -0.17 0.00 -1.43 0.00 0.00 32.58 30.96 3i1k s HIS 35 CO 0.11 -0.29 0.37 0.44 -2.00 0.00 0.00 174.74 173.38 3i1k n ILE 36 N 1.72 0.00 -4.53 -5.38 -5.35 -1.26 -1.87 119.36 102.69 3i1k n ILE 36 Ca -0.20 -0.26 -0.25 0.00 -0.27 0.00 0.00 62.75 61.77 3i1k n ILE 36 Cb 0.56 0.51 -0.11 0.00 -1.74 0.00 0.00 39.64 38.86 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 -2.62 1.67 -0.82 7.28 -4.23 -1.26 -4.68 115.64 110.98 3i1k s THR 37 Ca -0.01 -2.02 0.20 0.00 -1.18 0.00 0.00 61.69 58.68 3i1k s THR 37 Cb 0.09 -2.85 0.19 0.00 1.34 0.00 0.00 72.50 71.26 3i1k s THR 37 CO 0.52 -0.04 1.63 -2.65 -0.54 0.00 0.00 174.62 173.55 3i1k n PRO 38 N -0.82 0.08 -2.30 3.99 -0.02 -1.26 -4.29 135.00 130.39 3i1k n PRO 38 Ca -0.04 0.26 -0.43 0.00 -2.02 0.00 0.00 63.50 61.28 3i1k n PRO 38 Cb 0.66 -1.64 0.00 0.00 -0.02 0.00 0.00 33.50 32.51 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 -1.79 4.72 -4.21 2.55 2.03 -1.26 -4.89 116.55 113.70 3i1k n ASP 39 Ca 0.04 -2.98 -0.12 0.00 0.52 0.00 0.00 54.79 52.25 3i1k n ASP 39 Cb 0.24 -1.59 -0.10 0.00 -0.72 0.00 0.00 41.12 38.95 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 2.03 1.06 0.22 -0.67 1.48 -1.26 -2.14 118.94 119.65 3i1k s TRP 40 Ca 0.45 -0.91 -0.11 0.00 -1.06 0.00 0.00 56.10 54.47 3i1k s TRP 40 Cb 0.08 -0.59 -0.01 0.00 -1.16 0.00 0.00 33.47 31.79 3i1k s TRP 40 CO -0.01 -0.11 0.39 0.00 -4.06 0.00 0.00 176.95 173.16 3i1k s GLY 42 N -3.02 1.11 -0.05 0.00 0.00 -0.43 -1.18 107.32 103.77 3i1k s GLY 42 Ca 0.23 -1.52 0.01 0.00 0.00 0.00 0.00 44.72 43.44 3i1k s GLY 42 CO 0.07 -1.59 -0.04 -1.36 0.00 0.00 0.00 173.10 170.18 3i1k s PHE 43 N -3.37 0.74 0.00 1.90 0.08 -0.61 -0.35 117.98 116.36 3i1k s PHE 43 Ca 0.18 -0.20 0.00 0.00 0.12 0.00 0.00 56.93 57.03 3i1k s PHE 43 Cb 0.03 -0.66 0.00 0.00 -0.57 0.00 0.00 43.02 41.82 3i1k s PHE 43 CO 0.01 -0.20 0.00 0.41 -0.10 0.00 0.00 175.22 175.35 3i1k n GLY 44 N 4.09 3.41 0.00 4.36 0.00 -0.56 -1.04 105.19 115.46 3i1k n GLY 44 Ca -0.24 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.22 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 0.00 0.16 -0.34 1.61 3.85 -1.24 -3.13 116.55 117.46 3i1k n ASP 45 Ca 0.00 0.00 0.24 0.00 -0.71 0.00 0.00 54.79 54.32 3i1k n ASP 45 Cb 0.00 0.00 0.48 0.00 -1.35 0.00 0.00 41.12 40.25 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 1.97 0.00 2.12 0.00 -1.87 -1.53 119.26 120.95 3i1k h ALA 46 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3i1k h ALA 46 Cb 0.00 0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.94 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 -5.03 0.28 -1.00 0.00 1.74 -1.26 -1.34 116.66 110.05 3i1k n ARG 47 Ca 0.32 0.11 0.02 0.00 -0.77 0.00 0.00 57.85 57.53 3i1k n ARG 47 Cb 0.98 -1.50 0.02 0.00 -1.02 0.00 0.00 32.46 30.94 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 -1.21 0.60 -4.22 0.55 3.41 -0.60 -0.38 113.62 111.77 3i1k n SER 48 Ca 0.08 -2.07 -0.39 0.00 -0.26 0.00 0.00 58.87 56.23 3i1k n SER 48 Cb 0.10 -0.26 -0.11 0.00 -0.26 0.00 0.00 64.21 63.68 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 -1.60 5.48 0.00 4.04 2.15 -0.45 -4.75 116.67 121.53 3i1k s ASP 49 Ca 0.19 -1.63 0.18 0.00 0.43 0.00 0.00 52.55 51.72 3i1k s ASP 49 Cb 0.21 -1.92 0.79 0.00 -0.30 0.00 0.00 42.92 41.70 3i1k s ASP 49 CO -0.09 -0.52 1.56 0.00 -0.17 0.00 0.00 175.17 175.95 3i1k h GLY 51 N 3.01 0.00 -4.05 0.00 0.00 -1.95 -3.46 103.07 96.63 3i1k h GLY 51 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.80 3i1k h GLY 51 CO 0.00 0.00 0.78 0.21 0.00 0.00 0.00 176.54 177.53 3i1k s ASN 52 N -5.14 6.46 0.14 0.19 3.84 -1.02 -4.88 114.94 114.52 3i1k s ASN 52 Ca 0.06 2.92 0.19 0.00 0.21 0.00 0.00 52.86 56.24 3i1k s ASN 52 Cb 0.09 -2.65 0.81 0.00 -0.55 0.00 0.00 41.25 38.95 3i1k s ASN 52 CO 0.55 -0.80 1.59 2.29 -2.79 0.00 0.00 177.10 177.94 3i1k n LYS 53 N 1.14 0.10 -0.06 0.43 2.85 -1.26 -1.89 118.16 119.47 3i1k n LYS 53 Ca 0.03 0.34 0.12 0.00 -1.05 0.00 0.00 58.31 57.75 3i1k n LYS 53 Cb 0.39 -1.69 0.35 0.00 -0.65 0.00 0.00 35.03 33.42 3i1k n LYS 53 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 3i1k n HIS 54 N -1.89 0.16 -1.73 5.58 8.25 -1.26 -4.94 115.22 119.39 3i1k n HIS 54 Ca 0.03 -0.08 -0.42 0.00 -0.26 0.00 0.00 57.72 56.99 3i1k n HIS 54 Cb 0.20 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.30 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 0.66 1.55 1.05 1.59 -1.04 -0.79 -0.94 114.28 116.36 3i1k n THR 55 Ca 0.17 -0.39 0.12 0.00 -2.04 0.00 0.00 64.05 61.92 3i1k n THR 55 Cb 0.43 -1.81 0.32 0.00 -1.82 0.00 0.00 70.33 67.46 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 1.22 2.01 0.26 -2.82 -0.04 -1.26 -4.89 135.00 129.48 3i1k n PRO 56 Ca 0.06 -1.50 0.13 0.00 -0.04 0.00 0.00 63.50 62.16 3i1k n PRO 56 Cb 0.36 -1.46 0.67 0.00 -0.04 0.00 0.00 33.50 33.04 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 3.26 0.00 -0.00 0.54 1.57 -1.41 -2.71 116.57 117.82 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 0.71 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.02 3i1k h LYS 57 CO 0.00 0.13 -0.13 -1.13 -0.57 0.00 0.00 179.45 177.75 3i1k n SER 58 N -3.42 0.61 -4.81 0.86 3.41 -1.10 -1.34 113.62 107.83 3i1k n SER 58 Ca -0.01 -0.68 -0.36 0.00 -0.26 0.00 0.00 58.87 57.56 3i1k n SER 58 Cb 0.30 -0.03 -0.06 0.00 -0.26 0.00 0.00 64.21 64.16 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 -2.45 4.31 0.00 1.04 1.43 -1.02 -4.17 118.68 117.82 3i1k s LEU 59 Ca 0.29 1.54 0.17 0.00 -1.03 0.00 0.00 54.13 55.10 3i1k s LEU 59 Cb 0.20 -3.77 0.18 0.00 0.03 0.00 0.00 46.19 42.83 3i1k s LEU 59 CO 0.47 -0.02 1.09 0.47 0.23 0.00 0.00 176.35 178.59 3i1k n ASP 60 N 0.57 2.56 -4.43 2.29 8.00 0.49 -4.34 116.55 121.68 3i1k n ASP 60 Ca -0.00 -1.75 -0.27 0.00 0.71 0.00 0.00 54.79 53.47 3i1k n ASP 60 Cb 0.51 -0.04 -0.12 0.00 -0.02 0.00 0.00 41.12 41.45 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 -1.39 2.40 0.33 0.53 -4.36 -1.23 -3.72 121.20 113.76 3i1k s ILE 61 Ca 0.22 -2.03 -0.29 0.00 -0.26 0.00 0.00 60.65 58.29 3i1k s ILE 61 Cb 0.15 -2.16 -0.12 0.00 1.25 0.00 0.00 42.46 41.59 3i1k s ILE 61 CO 0.22 -0.13 1.53 -2.65 0.24 0.00 0.00 174.94 174.16 3i1k n PRO 62 N 0.22 2.64 0.17 0.37 -0.02 -1.26 -4.90 135.00 132.22 3i1k n PRO 62 Ca -0.12 0.93 0.05 0.00 -2.02 0.00 0.00 63.50 62.34 3i1k n PRO 62 Cb 0.56 -2.68 0.50 0.00 -0.02 0.00 0.00 33.50 31.86 3i1k n PRO 62 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 3i1k h GLN 63 N 3.96 0.15 0.00 -0.52 4.15 -1.99 -1.03 115.11 119.83 3i1k h GLN 63 Ca -0.48 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 58.92 3i1k h GLN 63 Cb 1.24 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.90 3i1k h GLN 63 CO 0.73 0.21 0.00 1.05 -1.93 0.00 0.00 178.83 178.89 3i1k h GLU 64 N 0.15 0.00 -0.03 1.69 4.11 -2.05 -2.50 114.58 115.95 3i1k h GLU 64 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.47 3i1k h GLU 64 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 3i1k h GLU 64 CO 0.01 0.00 -0.06 1.28 0.07 0.00 0.00 179.01 180.31 3i1k n LEU 65 N -2.39 2.80 -0.24 3.06 4.32 -0.39 -4.48 117.00 119.68 3i1k n LEU 65 Ca -0.01 -0.97 0.02 0.00 -0.02 0.00 0.00 56.01 55.03 3i1k n LEU 65 Cb 0.06 0.00 0.15 0.00 -1.62 0.00 0.00 43.42 42.01 3i1k n LEU 65 CO 0.12 0.48 1.04 0.00 -1.22 0.00 0.00 177.39 177.81 3i1k h PRO 67 N 0.54 0.00 0.00 0.00 0.11 -1.82 -0.37 132.00 130.45 3i1k h PRO 67 Ca 0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.47 3i1k h PRO 67 Cb 0.43 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.54 3i1k h PRO 67 CO -0.31 0.00 -0.10 1.63 -0.21 0.00 0.00 178.00 179.02 3i1k n LYS 68 N -2.91 0.16 -4.04 1.05 4.76 -0.48 -4.88 118.16 111.82 3i1k n LYS 68 Ca -0.02 0.11 -0.34 0.00 -2.87 0.00 0.00 58.31 55.19 3i1k n LYS 68 Cb 0.24 -1.67 -0.07 0.00 -1.84 0.00 0.00 35.03 31.70 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 -3.07 3.40 -0.39 2.13 0.40 -0.15 -1.31 117.98 118.99 3i1k s PHE 69 Ca 0.11 0.31 -0.09 0.00 -0.60 0.00 0.00 56.93 56.66 3i1k s PHE 69 Cb 0.15 -1.81 0.06 0.00 0.51 0.00 0.00 43.02 41.93 3i1k s PHE 69 CO 0.59 0.60 0.22 0.45 0.70 0.00 0.00 175.22 177.79 3i1k s SER 70 N -1.54 5.62 -0.01 1.36 0.15 0.52 -4.92 113.70 114.88 3i1k s SER 70 Ca 0.21 -1.29 -0.12 0.00 0.70 0.00 0.00 55.95 55.45 3i1k s SER 70 Cb -0.12 -1.98 0.01 0.00 -1.71 0.00 0.00 66.02 62.22 3i1k s SER 70 CO 0.12 -0.46 0.24 -0.44 1.20 0.00 0.00 173.24 173.89 3i1k s SER 71 N 1.84 -0.10 -0.14 5.45 0.01 -1.26 -1.49 113.70 118.00 3i1k s SER 71 Ca 0.02 -0.03 -0.09 0.00 1.31 0.00 0.00 55.95 57.16 3i1k s SER 71 Cb -0.21 0.27 0.05 0.00 0.21 0.00 0.00 66.02 66.34 3i1k s SER 71 CO 0.04 -0.41 0.35 -0.60 0.41 0.00 0.00 173.24 173.03 3i1k s ARG 72 N -1.32 0.35 0.01 12.44 3.52 -1.18 -4.82 118.95 127.95 3i1k s ARG 72 Ca -0.14 0.61 -0.38 0.00 -0.13 0.00 0.00 55.73 55.70 3i1k s ARG 72 Cb -0.06 0.04 -0.17 0.00 -1.56 0.00 0.00 34.95 33.20 3i1k s ARG 72 CO 0.03 -0.12 1.36 2.41 -0.81 0.00 0.00 175.30 178.17 3i1k n THR 73 N 3.73 0.04 0.00 4.11 -1.04 -1.26 -2.32 114.28 117.54 3i1k n THR 73 Ca -0.20 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 61.80 3i1k n THR 73 Cb 0.56 -0.74 0.00 0.00 -1.82 0.00 0.00 70.33 68.33 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 2.61 2.20 3.96 3.41 0.00 -1.26 -4.81 105.19 111.30 3i1k n GLY 74 Ca 0.20 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.06 5.18 0.19 1.61 0.15 -0.98 -4.36 113.70 112.43 3i1k s SER 75 Ca 0.00 -0.75 -0.18 0.00 0.70 0.00 0.00 55.95 55.72 3i1k s SER 75 Cb 0.00 -0.24 0.03 0.00 -1.71 0.00 0.00 66.02 64.10 3i1k s SER 75 CO 0.00 -0.92 0.53 -0.94 1.20 0.00 0.00 173.24 173.11 3i1k s SER 76 N -4.35 -0.29 0.29 5.45 1.04 -1.26 -4.59 113.70 109.98 3i1k s SER 76 Ca 0.52 -0.43 0.08 0.00 0.48 0.00 0.00 55.95 56.59 3i1k s SER 76 Cb -0.06 0.58 0.42 0.00 0.10 0.00 0.00 66.02 67.06 3i1k s SER 76 CO 0.31 -1.05 1.66 0.24 0.98 0.00 0.00 173.24 175.38 3i1k h MET 77 N 2.18 0.16 -0.10 4.02 0.00 -1.94 -1.42 114.93 117.82 3i1k h MET 77 Ca -0.29 -0.09 -0.01 0.00 0.00 0.00 0.00 59.70 59.31 3i1k h MET 77 Cb 1.27 0.01 -0.00 0.00 0.00 0.00 0.00 31.60 32.87 3i1k h MET 77 CO 0.37 0.62 0.01 0.35 0.00 0.00 0.00 176.91 178.27 3i1k h PHE 78 N 0.13 0.18 -0.16 -0.22 3.57 -1.96 -1.37 116.94 117.10 3i1k h PHE 78 Ca 0.00 -0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.51 3i1k h PHE 78 Cb 0.93 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.59 3i1k h PHE 78 CO 0.01 0.38 -0.02 0.82 -2.23 0.00 0.00 178.31 177.27 3i1k h ILE 79 N -0.07 0.87 0.00 1.41 2.04 -1.92 -2.54 117.51 117.30 3i1k h ILE 79 Ca 0.03 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.87 3i1k h ILE 79 Cb 0.30 0.84 -0.00 0.00 -0.74 0.00 0.00 36.82 37.21 3i1k h ILE 79 CO 0.00 0.01 -0.07 0.28 0.00 0.00 0.00 178.15 178.37 3i1k h SER 80 N 0.03 0.00 -0.76 1.72 0.02 -1.23 -0.02 113.55 113.31 3i1k h SER 80 Ca 0.07 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.98 3i1k h SER 80 Cb 0.10 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.61 3i1k h SER 80 CO -0.14 0.07 0.30 -0.03 -1.14 0.00 0.00 176.83 175.88 3i1k h MET 81 N 0.00 1.15 0.00 3.45 1.85 -0.81 -3.38 114.93 117.19 3i1k h MET 81 Ca -0.00 -0.21 -0.23 0.00 -0.61 0.00 0.00 59.70 58.65 3i1k h MET 81 Cb 0.39 -0.19 -0.04 0.00 0.43 0.00 0.00 31.60 32.19 3i1k h MET 81 CO 0.01 0.94 -1.85 0.72 -0.40 0.00 0.00 176.91 176.32 3i1k n HIS 82 N -4.28 0.00 -4.95 1.39 -0.00 -0.84 -4.64 115.22 101.91 3i1k n HIS 82 Ca 0.07 0.00 -0.28 0.00 -0.00 0.00 0.00 57.72 57.51 3i1k n HIS 82 Cb 0.19 -0.61 -0.15 0.00 -0.00 0.00 0.00 29.99 29.42 3i1k n HIS 82 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 3i1k s TRP 83 N -2.30 1.99 0.76 4.41 0.51 -0.08 -0.96 118.94 123.27 3i1k s TRP 83 Ca -0.08 -0.38 -0.12 0.00 -2.12 0.00 0.00 56.10 53.41 3i1k s TRP 83 Cb 0.04 -1.24 0.05 0.00 -0.81 0.00 0.00 33.47 31.51 3i1k s TRP 83 CO 0.49 0.02 1.14 -0.80 -0.51 0.00 0.00 176.95 177.30 3i1k s ASN 84 N -0.80 4.90 0.77 2.95 0.01 -1.26 -4.58 114.94 116.93 3i1k s ASN 84 Ca 0.09 0.91 -0.15 0.00 -0.71 0.00 0.00 52.86 53.00 3i1k s ASN 84 Cb -0.09 -1.53 0.06 0.00 0.41 0.00 0.00 41.25 40.10 3i1k s ASN 84 CO 0.00 -1.66 1.20 0.59 -1.51 0.00 0.00 177.10 175.72 3i1k n ASN 85 N -3.18 1.19 0.00 -1.22 3.02 -1.26 -4.70 115.26 109.11 3i1k n ASN 85 Ca 0.08 0.64 0.00 0.00 -0.03 0.00 0.00 54.58 55.27 3i1k n ASN 85 Cb 0.59 -1.51 0.00 0.00 -0.61 0.00 0.00 39.78 38.25 3i1k n ASN 85 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i1k n GLY 86 N 0.68 -2.57 2.59 7.41 0.00 -1.22 -4.96 105.19 107.12 3i1k n GLY 86 Ca 0.14 -1.75 -0.14 0.00 0.00 0.00 0.00 46.02 44.27 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 -3.96 0.00 1.61 7.64 -1.26 -2.10 113.62 115.55 3i1k n SER 87 Ca 0.00 0.10 0.00 0.00 1.01 0.00 0.00 58.87 59.98 3i1k n SER 87 Cb 0.00 -3.35 0.00 0.00 -1.01 0.00 0.00 64.21 59.85 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 -0.88 0.75 3.17 0.23 0.00 -1.26 -4.93 105.19 102.27 3i1k n GLY 88 Ca -0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.67 2.21 -0.62 1.61 0.40 -0.89 -5.08 117.98 112.94 3i1k s PHE 89 Ca 0.00 -0.85 -0.22 0.00 -0.60 0.00 0.00 56.93 55.26 3i1k s PHE 89 Cb 0.00 -1.50 0.06 0.00 0.51 0.00 0.00 43.02 42.10 3i1k s PHE 89 CO 0.00 -0.35 0.92 -0.51 0.70 0.00 0.00 175.22 175.98 3i1k s ASP 90 N 0.35 6.22 0.23 1.36 1.01 -1.26 -3.38 116.67 121.19 3i1k s ASP 90 Ca -0.15 -0.85 -0.10 0.00 0.71 0.00 0.00 52.55 52.16 3i1k s ASP 90 Cb -0.17 -2.41 -0.07 0.00 1.01 0.00 0.00 42.92 41.29 3i1k s ASP 90 CO 0.07 -1.33 0.56 0.00 0.21 0.00 0.00 175.17 174.67 3i1k s ALA 91 N 3.86 3.56 -0.10 5.23 0.00 -1.26 -4.00 121.76 129.04 3i1k s ALA 91 Ca 0.23 -0.25 -0.07 0.00 0.00 0.00 0.00 51.96 51.87 3i1k s ALA 91 Cb -0.16 -2.45 0.04 0.00 0.00 0.00 0.00 23.12 20.54 3i1k s ALA 91 CO 0.12 0.50 0.25 0.12 0.00 0.00 0.00 175.76 176.75 3i1k s PHE 92 N -1.80 -0.31 -1.21 0.00 5.99 -1.26 -4.85 117.98 114.54 3i1k s PHE 92 Ca 0.47 0.73 -0.18 0.00 0.00 0.00 0.00 56.93 57.95 3i1k s PHE 92 Cb -0.11 0.07 -0.02 0.00 0.00 0.00 0.00 43.02 42.95 3i1k s PHE 92 CO 0.21 -0.19 2.04 -0.25 -0.00 0.00 0.00 175.22 177.03 3i1k n ASP 93 N 3.64 3.57 -4.64 6.13 8.00 -1.26 -4.84 116.55 127.14 3i1k n ASP 93 Ca -0.19 -2.79 -0.43 0.00 0.71 0.00 0.00 54.79 52.08 3i1k n ASP 93 Cb 0.55 -1.52 -0.01 0.00 -0.02 0.00 0.00 41.12 40.13 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 7.55 1.75 -3.52 1.24 4.01 -1.26 -4.80 117.16 122.13 3i1k n TYR 94 Ca 0.50 0.62 -0.00 0.00 -0.16 0.00 0.00 57.90 58.86 3i1k n TYR 94 Cb 0.41 -2.33 -0.05 0.00 -0.31 0.00 0.00 39.34 37.07 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 -0.46 -0.70 0.20 7.72 0.15 -1.26 -1.05 113.70 118.31 3i1k s SER 95 Ca 0.57 1.00 -0.23 0.00 0.70 0.00 0.00 55.95 57.99 3i1k s SER 95 Cb -0.62 1.67 0.05 0.00 -1.71 0.00 0.00 66.02 65.40 3i1k s SER 95 CO 0.61 -0.14 0.74 0.21 1.20 0.00 0.00 173.24 175.85 3i1k s ASN 96 N 2.24 -0.34 -0.01 5.45 3.84 -0.79 -4.71 114.94 120.62 3i1k s ASN 96 Ca -0.05 -0.36 0.01 0.00 0.21 0.00 0.00 52.86 52.66 3i1k s ASN 96 Cb -0.07 0.63 0.00 0.00 -0.55 0.00 0.00 41.25 41.26 3i1k s ASN 96 CO -0.17 -1.11 -0.02 0.00 -2.79 0.00 0.00 177.10 173.00 3i1k n GLY 98 N 3.22 1.28 0.16 0.00 0.00 0.12 -4.41 105.19 105.56 3i1k n GLY 98 Ca -0.15 0.09 -0.09 0.00 0.00 0.00 0.00 46.02 45.87 3i1k n GLY 98 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3i1k h VAL 99 N 0.00 1.12 -2.67 1.61 2.07 -1.68 -3.42 116.25 113.28 3i1k h VAL 99 Ca 0.00 -0.30 -0.67 0.00 0.82 0.00 0.00 66.70 66.55 3i1k h VAL 99 Cb 0.00 0.70 -0.07 0.00 -1.52 0.00 0.00 31.29 30.40 3i1k h VAL 99 CO 0.00 0.13 -0.49 -1.61 0.02 0.00 0.00 177.57 175.62 3i1k s GLU 100 N -5.95 3.42 -0.02 1.57 2.02 -1.09 -4.82 118.70 113.83 3i1k s GLU 100 Ca -0.13 -0.14 0.01 0.00 0.02 0.00 0.00 54.97 54.72 3i1k s GLU 100 Cb 0.10 -3.17 0.01 0.00 0.10 0.00 0.00 34.13 31.17 3i1k s GLU 100 CO 0.72 0.78 -0.03 0.15 0.02 0.00 0.00 175.26 176.90 3i1k s LYS 101 N -1.03 0.44 -0.20 1.61 1.02 -1.26 -1.21 119.74 119.10 3i1k s LYS 101 Ca 0.15 -0.06 0.01 0.00 0.02 0.00 0.00 55.97 56.10 3i1k s LYS 101 Cb -0.12 -0.51 0.03 0.00 -0.52 0.00 0.00 37.83 36.71 3i1k s LYS 101 CO 0.04 -0.03 -0.18 0.08 -0.92 0.00 0.00 175.35 174.34 3i1k s VAL 102 N 0.56 2.10 -0.21 3.17 1.01 -0.32 -1.13 120.40 125.58 3i1k s VAL 102 Ca -0.06 -1.10 -0.09 0.00 0.00 0.00 0.00 61.98 60.73 3i1k s VAL 102 Cb -0.09 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 34.28 3i1k s VAL 102 CO -0.01 0.40 0.11 -0.36 0.00 0.00 0.00 175.10 175.25 3i1k s PHE 103 N 1.25 3.29 -0.41 5.22 0.08 0.55 -1.57 117.98 126.38 3i1k s PHE 103 Ca 0.02 0.13 0.07 0.00 0.12 0.00 0.00 56.93 57.27 3i1k s PHE 103 Cb -0.15 -2.17 0.24 0.00 -0.57 0.00 0.00 43.02 40.37 3i1k s PHE 103 CO -0.11 0.11 0.55 0.98 -0.10 0.00 0.00 175.22 176.65 3i1k n TYR 104 N 3.91 -0.83 -3.83 0.36 9.36 -0.20 -1.13 117.16 124.80 3i1k n TYR 104 Ca -0.16 -3.29 -0.08 0.00 3.32 0.00 0.00 57.90 57.69 3i1k n TYR 104 Cb 0.52 -0.04 0.01 0.00 -0.63 0.00 0.00 39.34 39.20 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 -0.82 2.06 0.00 2.98 4.04 -1.26 -3.66 118.70 122.04 3i1k s GLU 105 Ca 0.34 -1.27 0.00 0.00 0.04 0.00 0.00 54.97 54.09 3i1k s GLU 105 Cb 0.16 0.62 0.00 0.00 0.02 0.00 0.00 34.13 34.93 3i1k s GLU 105 CO -0.13 -0.95 0.00 0.41 -1.84 0.00 0.00 175.26 172.74 3i1k n GLY 106 N -0.50 3.57 0.27 -3.83 0.00 -1.26 -4.74 105.19 98.70 3i1k n GLY 106 Ca -0.07 -0.64 0.01 0.00 0.00 0.00 0.00 46.02 45.33 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 1.17 0.00 1.61 3.04 -1.91 -1.75 116.25 118.40 3i1k h VAL 107 Ca 0.00 -0.64 0.00 0.00 -1.01 0.00 0.00 66.70 65.05 3i1k h VAL 107 Cb 0.00 0.91 0.00 0.00 -2.01 0.00 0.00 31.29 30.19 3i1k h VAL 107 CO 0.00 0.22 0.00 0.59 -1.01 0.00 0.00 177.57 177.37 3i1k n ASN 108 N -4.33 0.57 -4.03 3.17 3.02 -1.26 -2.89 115.26 109.50 3i1k n ASN 108 Ca 0.01 0.73 -0.34 0.00 -0.03 0.00 0.00 54.58 54.95 3i1k n ASN 108 Cb 0.21 -0.82 -0.11 0.00 -0.61 0.00 0.00 39.78 38.45 3i1k n ASN 108 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3i1k s PHE 109 N -3.47 3.43 0.38 3.10 5.36 -0.66 -4.95 117.98 121.16 3i1k s PHE 109 Ca -0.01 -2.97 0.05 0.00 -0.96 0.00 0.00 56.93 53.04 3i1k s PHE 109 Cb 0.07 -3.04 -0.06 0.00 -0.34 0.00 0.00 43.02 39.64 3i1k s PHE 109 CO 0.24 -0.76 0.04 -1.12 -1.46 0.00 0.00 175.22 172.16 3i1k s SER 110 N 0.02 3.10 0.57 6.13 0.01 -1.14 -4.99 113.70 117.40 3i1k s SER 110 Ca 0.19 -1.41 0.28 0.00 1.31 0.00 0.00 55.95 56.33 3i1k s SER 110 Cb -0.18 -0.13 1.48 0.00 0.21 0.00 0.00 66.02 67.40 3i1k s SER 110 CO -0.05 -0.58 1.94 -0.65 0.41 0.00 0.00 173.24 174.31 3i1k h PRO 111 N 1.91 0.00 -1.49 12.44 0.11 -1.84 -0.38 132.00 142.75 3i1k h PRO 111 Ca -0.42 0.00 0.44 0.00 0.11 0.00 0.00 66.00 66.13 3i1k h PRO 111 Cb 1.25 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.29 3i1k h PRO 111 CO 0.74 0.00 1.05 1.25 -0.21 0.00 0.00 178.00 180.83 3i1k h HIS 112 N 0.00 0.10 -0.06 0.65 -0.00 -1.82 0.21 115.15 114.23 3i1k h HIS 112 Ca 0.24 0.00 0.01 0.00 -0.00 0.00 0.00 60.37 60.62 3i1k h HIS 112 Cb 1.14 -0.03 -0.00 0.00 -0.00 0.00 0.00 27.41 28.52 3i1k h HIS 112 CO 0.00 -0.02 0.04 0.00 -0.00 0.00 0.00 177.93 177.95 3i1k h ARG 113 N 0.03 0.04 -6.29 5.26 2.47 -1.38 -3.47 114.38 111.04 3i1k h ARG 113 Ca 0.74 -0.00 -0.46 0.00 -1.26 0.00 0.00 59.98 58.99 3i1k h ARG 113 Cb 2.82 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 31.12 3i1k h ARG 113 CO -0.08 0.02 -0.84 0.09 0.56 0.00 0.00 179.97 179.73 3i1k n ASN 114 N -4.53 -1.66 -4.66 7.04 3.02 0.72 -4.97 115.26 110.24 3i1k n ASN 114 Ca -0.02 -0.88 -0.35 0.00 -0.03 0.00 0.00 54.58 53.30 3i1k n ASN 114 Cb 0.12 -3.64 -0.09 0.00 -0.61 0.00 0.00 39.78 35.55 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 -3.67 3.25 0.05 3.10 5.04 -1.26 -5.00 117.35 118.85 3i1k s TYR 115 Ca 0.16 0.11 -0.03 0.00 -2.44 0.00 0.00 57.07 54.87 3i1k s TYR 115 Cb -0.08 -2.00 -0.02 0.00 0.35 0.00 0.00 41.96 40.21 3i1k s TYR 115 CO 0.85 0.26 0.04 -0.08 -1.34 0.00 0.00 175.55 175.27 3i1k s THR 116 N -0.02 0.17 -0.08 4.34 -1.32 -1.26 -3.88 115.64 113.58 3i1k s THR 116 Ca 0.05 -1.36 -0.10 0.00 -1.21 0.00 0.00 61.69 59.07 3i1k s THR 116 Cb -0.12 -1.10 -0.04 0.00 -1.51 0.00 0.00 72.50 69.73 3i1k s THR 116 CO 0.01 -0.75 -0.21 0.00 -2.21 0.00 0.00 174.62 171.46 3i1k n TYR 118 N -4.00 0.00 -0.14 0.00 4.02 -1.26 -0.98 117.16 114.80 3i1k n TYR 118 Ca -0.13 0.00 0.09 0.00 -0.01 0.00 0.00 57.90 57.85 3i1k n TYR 118 Cb 0.39 0.00 0.29 0.00 -0.02 0.00 0.00 39.34 40.00 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 2.83 0.24 -0.72 3.00 0.52 -4.42 117.38 118.84 3i1k n GLN 119 Ca 0.00 -2.37 0.10 0.00 -0.01 0.00 0.00 57.00 54.72 3i1k n GLN 119 Cb 0.00 -1.62 0.58 0.00 0.00 0.00 0.00 30.24 29.20 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 3.66 0.00 0.00 -1.09 9.09 -1.92 -3.48 114.58 120.84 3i1k h GLU 120 Ca 0.00 0.00 0.21 0.00 0.05 0.00 0.00 59.36 59.62 3i1k h GLU 120 Cb 1.03 0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 28.07 3i1k h GLU 120 CO 0.08 0.20 -0.28 0.41 0.05 0.00 0.00 179.01 179.47 3i1k n GLY 121 N -0.37 -1.91 0.27 1.06 0.00 -1.26 -2.16 105.19 100.82 3i1k n GLY 121 Ca -0.01 -1.26 0.06 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 -0.73 0.00 -0.14 1.61 0.02 -1.95 -1.84 113.55 110.52 3i1k h SER 122 Ca 0.02 0.15 -0.06 0.00 -0.84 0.00 0.00 61.79 61.06 3i1k h SER 122 Cb 0.72 0.21 -0.02 0.00 0.14 0.00 0.00 62.40 63.45 3i1k h SER 122 CO 0.01 -0.05 -0.08 0.77 -1.14 0.00 0.00 176.83 176.33 3i1k h SER 123 N 0.26 0.44 -0.09 3.07 4.64 -1.93 -0.41 113.55 119.53 3i1k h SER 123 Ca 0.43 -0.10 -0.03 0.00 -0.47 0.00 0.00 61.79 61.62 3i1k h SER 123 Cb 0.75 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.71 3i1k h SER 123 CO -0.53 0.56 -0.03 1.23 -0.87 0.00 0.00 176.83 177.20 3i1k h GLY 124 N 0.86 0.32 2.00 -0.77 0.00 -0.83 -1.83 103.07 102.83 3i1k h GLY 124 Ca 0.09 -0.17 -0.15 0.00 0.00 0.00 0.00 47.33 47.10 3i1k h GLY 124 CO 0.02 0.16 -0.69 1.49 0.00 0.00 0.00 176.54 177.52 3i1k h TRP 125 N 0.30 0.00 -0.80 5.60 4.06 -0.98 -1.69 115.95 122.44 3i1k h TRP 125 Ca 0.07 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.99 3i1k h TRP 125 Cb 0.25 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 28.37 3i1k h TRP 125 CO 0.00 0.69 0.39 0.28 -3.56 0.00 0.00 178.44 176.24 3i1k h VAL 126 N 0.00 1.25 -0.38 1.49 2.07 -0.69 0.76 116.25 120.75 3i1k h VAL 126 Ca -0.01 -0.70 -0.11 0.00 0.82 0.00 0.00 66.70 66.71 3i1k h VAL 126 Cb 1.45 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 3i1k h VAL 126 CO 0.09 0.30 -0.18 0.28 0.02 0.00 0.00 177.57 178.08 3i1k h SER 127 N 1.13 0.82 -0.71 0.57 0.02 -1.26 -0.24 113.55 113.88 3i1k h SER 127 Ca 0.27 -0.40 -0.00 0.00 -0.84 0.00 0.00 61.79 60.82 3i1k h SER 127 Cb 0.11 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.39 3i1k h SER 127 CO -0.04 1.04 0.42 0.78 -1.14 0.00 0.00 176.83 177.90 3i1k h ASN 128 N 0.60 0.86 -0.68 3.07 2.35 -1.19 -1.39 115.58 119.19 3i1k h ASN 128 Ca 0.09 -0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.76 3i1k h ASN 128 Cb 0.73 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.85 3i1k h ASN 128 CO 0.06 0.67 0.40 0.50 -1.65 0.00 0.00 177.43 177.40 3i1k h LYS 129 N 0.97 0.94 -0.25 0.81 3.64 -0.57 -1.02 116.57 121.08 3i1k h LYS 129 Ca 0.25 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 3i1k h LYS 129 Cb -0.03 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.59 3i1k h LYS 129 CO -0.05 0.68 0.12 0.28 -2.27 0.00 0.00 179.45 178.22 3i1k h VAL 130 N 0.93 1.15 -0.82 2.00 2.07 -0.84 -1.50 116.25 119.24 3i1k h VAL 130 Ca 0.24 -0.42 0.08 0.00 0.82 0.00 0.00 66.70 67.42 3i1k h VAL 130 Cb -0.00 0.96 -0.07 0.00 -1.52 0.00 0.00 31.29 30.66 3i1k h VAL 130 CO -0.04 0.15 0.48 1.23 0.02 0.00 0.00 177.57 179.40 3i1k h GLY 131 N 0.28 1.24 0.70 2.17 0.00 -0.96 -0.23 103.07 106.27 3i1k h GLY 131 Ca 0.09 -0.33 -0.02 0.00 0.00 0.00 0.00 47.33 47.07 3i1k h GLY 131 CO -0.01 0.19 -0.17 -2.75 0.00 0.00 0.00 176.54 173.80 3i1k h PHE 132 N 0.85 -0.43 -0.41 5.60 3.57 -0.83 -2.73 116.94 122.55 3i1k h PHE 132 Ca 0.37 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.81 3i1k h PHE 132 Cb 0.26 0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.13 3i1k h PHE 132 CO -0.05 -0.11 0.02 1.88 -2.23 0.00 0.00 178.31 177.81 3i1k h TYR 133 N -0.77 0.68 -0.32 0.41 0.05 -1.22 0.89 116.97 116.69 3i1k h TYR 133 Ca -0.05 -0.08 0.01 0.00 0.05 0.00 0.00 58.73 58.67 3i1k h TYR 133 Cb 0.51 -0.19 -0.02 0.00 1.01 0.00 0.00 36.73 38.04 3i1k h TYR 133 CO 0.02 0.64 0.18 0.77 -1.05 0.00 0.00 178.16 178.72 3i1k h SER 134 N 0.62 0.29 -0.31 3.88 0.02 -1.06 0.24 113.55 117.23 3i1k h SER 134 Ca 0.13 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 61.00 3i1k h SER 134 Cb 0.37 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 3i1k h SER 134 CO 0.01 0.22 -0.13 0.50 -1.14 0.00 0.00 176.83 176.29 3i1k h LYS 135 N 0.38 0.63 -0.18 3.45 1.63 -1.19 -2.63 116.57 118.66 3i1k h LYS 135 Ca 0.13 -0.27 0.04 0.00 -0.85 0.00 0.00 60.65 59.70 3i1k h LYS 135 Cb 0.01 -0.02 -0.04 0.00 -0.60 0.00 0.00 32.23 31.58 3i1k h LYS 135 CO -0.07 0.85 -0.07 1.25 -3.45 0.00 0.00 179.45 177.96 3i1k h LEU 136 N 0.39 -0.25 -0.35 5.20 5.85 -0.65 -0.78 115.31 124.73 3i1k h LEU 136 Ca 0.07 0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.81 3i1k h LEU 136 Cb 0.64 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.81 3i1k h LEU 136 CO 0.04 -0.10 0.05 1.88 -0.34 0.00 0.00 178.44 179.97 3i1k h TYR 137 N -0.04 0.62 -0.24 1.25 0.05 -0.96 -0.14 116.97 117.50 3i1k h TYR 137 Ca 0.10 -0.09 -0.14 0.00 0.05 0.00 0.00 58.73 58.64 3i1k h TYR 137 Cb 0.19 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 37.75 3i1k h TYR 137 CO -0.23 0.65 -0.44 0.66 -1.05 0.00 0.00 178.16 177.75 3i1k h SER 138 N 0.41 0.66 -0.50 3.88 4.64 -1.38 -2.30 113.55 118.96 3i1k h SER 138 Ca 0.10 -0.31 -0.03 0.00 -0.47 0.00 0.00 61.79 61.08 3i1k h SER 138 Cb 0.37 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.25 3i1k h SER 138 CO 0.01 1.01 0.19 0.24 -0.87 0.00 0.00 176.83 177.41 3i1k h MET 139 N 0.50 0.75 -0.59 4.77 2.86 -1.04 -3.07 114.93 119.11 3i1k h MET 139 Ca 0.03 -0.14 0.01 0.00 -2.06 0.00 0.00 59.70 57.55 3i1k h MET 139 Cb 0.97 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 32.48 3i1k h MET 139 CO 0.09 0.67 0.39 0.00 1.06 0.00 0.00 176.91 179.12 3i1k h ALA 140 N 1.04 1.61 0.00 6.32 0.00 -0.86 -2.31 119.26 125.06 3i1k h ALA 140 Ca 0.16 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3i1k h ALA 140 Cb 0.21 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 3i1k h ALA 140 CO -0.01 0.35 -0.01 0.66 0.00 0.00 0.00 179.25 180.24 3i1k h SER 141 N 0.76 0.00 -0.37 0.00 4.64 -1.31 -1.40 113.55 115.86 3i1k h SER 141 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 3i1k h SER 141 Cb -0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 3i1k h SER 141 CO -0.05 0.01 0.00 0.35 -0.87 0.00 0.00 176.83 176.27 3i1k n THR 142 N -3.37 0.64 -4.40 2.95 -2.24 -0.88 -1.24 114.28 105.74 3i1k n THR 142 Ca -0.03 -0.82 -0.21 0.00 -2.27 0.00 0.00 64.05 60.72 3i1k n THR 142 Cb 0.09 0.82 -0.10 0.00 -2.10 0.00 0.00 70.33 69.04 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 -1.19 3.02 -0.15 3.42 0.01 -0.53 -1.10 113.70 117.17 3i1k s SER 143 Ca 0.32 -1.03 -0.05 0.00 1.31 0.00 0.00 55.95 56.49 3i1k s SER 143 Cb 0.18 -0.21 -0.07 0.00 0.21 0.00 0.00 66.02 66.13 3i1k s SER 143 CO 0.25 -0.09 -0.18 -1.14 0.41 0.00 0.00 173.24 172.49 3i1k n ARG 144 N -0.49 0.34 -4.02 12.44 0.63 -1.26 -4.72 116.66 119.58 3i1k n ARG 144 Ca -0.07 0.13 -0.36 0.00 -0.92 0.00 0.00 57.85 56.63 3i1k n ARG 144 Cb 0.60 -1.12 -0.07 0.00 0.45 0.00 0.00 32.46 32.32 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 -0.84 0.80 -0.08 0.00 1.01 -0.12 -2.92 121.20 119.05 3i1k s ILE 146 Ca 0.13 -0.24 -0.03 0.00 0.00 0.00 0.00 60.65 60.51 3i1k s ILE 146 Cb -0.12 -0.80 0.04 0.00 0.01 0.00 0.00 42.46 41.59 3i1k s ILE 146 CO 0.03 0.30 0.17 -0.75 0.00 0.00 0.00 174.94 174.68 3i1k s LYS 147 N 1.09 0.08 0.03 2.79 2.20 -0.21 -1.89 119.74 123.83 3i1k s LYS 147 Ca -0.08 0.48 -0.30 0.00 -0.36 0.00 0.00 55.97 55.71 3i1k s LYS 147 Cb -0.14 -0.20 -0.06 0.00 -1.51 0.00 0.00 37.83 35.92 3i1k s LYS 147 CO -0.01 -0.23 1.32 -1.17 -0.36 0.00 0.00 175.35 174.91 3i1k s LEU 148 N 1.67 4.34 0.11 5.43 2.96 -0.22 -0.22 118.68 132.75 3i1k s LEU 148 Ca -0.04 2.10 0.08 0.00 -0.22 0.00 0.00 54.13 56.05 3i1k s LEU 148 Cb -0.12 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 42.97 3i1k s LEU 148 CO -0.06 -0.63 -0.19 0.27 -1.32 0.00 0.00 176.35 174.42 3i1k s ILE 149 N 1.76 1.64 -0.09 6.68 -4.36 -0.13 -4.80 121.20 121.90 3i1k s ILE 149 Ca 0.62 -1.59 -0.23 0.00 -0.26 0.00 0.00 60.65 59.19 3i1k s ILE 149 Cb -0.31 -1.55 -0.04 0.00 1.25 0.00 0.00 42.46 41.81 3i1k s ILE 149 CO 0.27 -0.14 0.68 0.20 0.24 0.00 0.00 174.94 176.19 3i1k s ASN 150 N -2.04 6.93 0.42 4.36 0.01 -1.26 -2.08 114.94 121.29 3i1k s ASN 150 Ca 0.07 1.12 -0.17 0.00 -0.71 0.00 0.00 52.86 53.17 3i1k s ASN 150 Cb -0.09 -2.40 -0.09 0.00 0.41 0.00 0.00 41.25 39.09 3i1k s ASN 150 CO 0.04 -0.13 0.88 -0.76 -1.51 0.00 0.00 177.10 175.62 3i1k s LEU 151 N 0.94 3.86 0.54 0.60 1.02 -0.08 -4.96 118.68 120.60 3i1k s LEU 151 Ca 0.36 1.46 -0.21 0.00 0.02 0.00 0.00 54.13 55.76 3i1k s LEU 151 Cb -0.17 -4.33 -0.05 0.00 0.02 0.00 0.00 46.19 41.65 3i1k s LEU 151 CO 0.16 -0.40 1.26 -1.81 0.02 0.00 0.00 176.35 175.59 3i1k s ASP 152 N -2.62 5.46 0.73 2.29 1.01 -1.26 -4.88 116.67 117.40 3i1k s ASP 152 Ca 0.57 2.53 -0.16 0.00 0.71 0.00 0.00 52.55 56.21 3i1k s ASP 152 Cb -0.10 -2.62 0.04 0.00 1.01 0.00 0.00 42.92 41.25 3i1k s ASP 152 CO 0.22 -1.42 1.22 -0.81 0.21 0.00 0.00 175.17 174.59 3i1k n PRO 153 N -1.08 0.62 -1.67 8.23 -0.04 -1.26 -4.76 135.00 135.02 3i1k n PRO 153 Ca 0.11 0.28 -0.30 0.00 -0.04 0.00 0.00 63.50 63.55 3i1k n PRO 153 Cb 0.47 -2.46 0.09 0.00 -0.04 0.00 0.00 33.50 31.56 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 -3.72 2.10 0.24 0.54 0.04 -1.26 -4.94 135.00 128.00 3i1k s PRO 154 Ca 0.78 0.47 -0.31 0.00 0.04 0.00 0.00 61.00 61.98 3i1k s PRO 154 Cb -0.34 -1.93 -0.14 0.00 0.04 0.00 0.00 34.50 32.13 3i1k s PRO 154 CO 0.46 -1.57 1.21 0.25 0.04 0.00 0.00 177.00 177.39 3i1k n THR 155 N -3.37 1.30 -1.92 1.26 -2.24 -0.88 -4.85 114.28 103.57 3i1k n THR 155 Ca 0.07 -0.33 -0.37 0.00 -2.27 0.00 0.00 64.05 61.15 3i1k n THR 155 Cb 0.58 -1.15 0.04 0.00 -2.10 0.00 0.00 70.33 67.69 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 -0.08 5.26 0.21 3.42 3.84 -1.26 -4.72 114.94 121.61 3i1k s ASN 156 Ca 0.66 2.55 -0.12 0.00 0.21 0.00 0.00 52.86 56.16 3i1k s ASN 156 Cb -0.72 -2.62 0.00 0.00 -0.55 0.00 0.00 41.25 37.36 3i1k s ASN 156 CO 0.54 -1.56 0.42 0.72 -2.79 0.00 0.00 177.10 174.43 3i1k s PHE 157 N -1.45 0.29 0.33 0.43 -0.71 -1.26 -5.08 117.98 110.53 3i1k s PHE 157 Ca 0.74 -0.65 0.04 0.00 -1.04 0.00 0.00 56.93 56.03 3i1k s PHE 157 Cb -0.35 0.14 -0.03 0.00 -1.21 0.00 0.00 43.02 41.57 3i1k s PHE 157 CO 0.40 -0.89 0.19 0.95 -1.34 0.00 0.00 175.22 174.53 3i1k s THR 158 N -3.98 0.26 -1.03 -4.49 -4.23 -1.26 -4.96 115.64 95.96 3i1k s THR 158 Ca 0.19 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 58.60 3i1k s THR 158 Cb 0.01 -2.47 -0.04 0.00 1.34 0.00 0.00 72.50 71.34 3i1k s THR 158 CO 0.04 0.00 0.84 0.59 -0.54 0.00 0.00 174.62 175.55 3i1k n ASN 159 N -1.17 -6.38 -4.07 3.99 3.02 -1.26 -4.91 115.26 104.48 3i1k n ASN 159 Ca 0.02 -0.72 -0.10 0.00 -0.03 0.00 0.00 54.58 53.74 3i1k n ASN 159 Cb 0.64 -4.58 -0.07 0.00 -0.61 0.00 0.00 39.78 35.16 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 -3.34 0.68 0.10 3.10 -0.85 -1.26 -1.00 117.35 114.77 3i1k s TYR 160 Ca 0.39 -0.98 0.03 0.00 -0.52 0.00 0.00 57.07 55.98 3i1k s TYR 160 Cb -0.08 -0.12 -0.04 0.00 0.38 0.00 0.00 41.96 42.10 3i1k s TYR 160 CO 0.78 -0.83 -0.08 -0.98 -1.52 0.00 0.00 175.55 172.91 3i1k s ARG 161 N -4.07 0.86 0.40 -3.49 1.70 -0.04 -4.88 118.95 109.43 3i1k s ARG 161 Ca 0.28 -1.27 -0.24 0.00 -0.47 0.00 0.00 55.73 54.03 3i1k s ARG 161 Cb 0.03 -0.39 -0.09 0.00 -0.57 0.00 0.00 34.95 33.92 3i1k s ARG 161 CO 0.09 0.04 1.08 -0.80 -1.08 0.00 0.00 175.30 174.63 3i1k s ASN 162 N -2.79 6.70 0.67 -2.89 0.01 -1.26 -0.66 114.94 114.72 3i1k s ASN 162 Ca 0.09 2.11 -0.15 0.00 -0.71 0.00 0.00 52.86 54.20 3i1k s ASN 162 Cb 0.01 -2.59 0.01 0.00 0.41 0.00 0.00 41.25 39.09 3i1k s ASN 162 CO -0.02 -0.53 1.14 -0.83 -1.51 0.00 0.00 177.10 175.35 3i1k s GLY 163 N -1.45 2.25 0.22 0.66 0.00 -0.46 -4.85 107.32 103.69 3i1k s GLY 163 Ca 0.57 0.67 0.03 0.00 0.00 0.00 0.00 44.72 45.99 3i1k s GLY 163 CO 0.30 1.04 0.01 -0.51 0.00 0.00 0.00 173.10 173.94 3i1k s THR 164 N -2.19 0.91 0.32 0.90 -4.23 -1.26 -4.84 115.64 105.26 3i1k s THR 164 Ca 0.70 -2.02 0.05 0.00 -1.18 0.00 0.00 61.69 59.24 3i1k s THR 164 Cb -0.23 -2.33 -0.02 0.00 1.34 0.00 0.00 72.50 71.26 3i1k s THR 164 CO 0.41 -0.32 0.47 0.00 -0.54 0.00 0.00 174.62 174.64 3i1k n VAL 166 N -1.64 0.04 -1.62 0.00 0.24 -0.43 -4.44 118.33 110.48 3i1k n VAL 166 Ca -0.03 -0.12 -0.36 0.00 -2.04 0.00 0.00 64.34 61.79 3i1k n VAL 166 Cb 0.58 0.57 0.08 0.00 -1.47 0.00 0.00 33.84 33.60 3i1k n VAL 166 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3i1k s GLY 167 N -3.33 2.70 -1.29 7.63 0.00 -0.15 -1.28 107.32 111.61 3i1k s GLY 167 Ca 0.06 1.12 -0.25 0.00 0.00 0.00 0.00 44.72 45.65 3i1k s GLY 167 CO 0.83 1.55 0.54 -2.01 0.00 0.00 0.00 173.10 174.01 3i1k n ASN 168 N -2.19 -3.02 -1.22 1.64 5.15 -1.26 -1.53 115.26 112.83 3i1k n ASN 168 Ca 0.15 -1.25 -0.15 0.00 -0.60 0.00 0.00 54.58 52.73 3i1k n ASN 168 Cb 0.49 -1.91 -0.06 0.00 -0.53 0.00 0.00 39.78 37.77 3i1k n ASN 168 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3i1k n GLY 169 N -2.15 1.29 0.54 8.20 0.00 -1.22 -2.43 105.19 109.42 3i1k n GLY 169 Ca -0.16 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.13 0.76 0.15 -0.02 0.00 -0.40 -4.98 105.19 99.57 3i1k n GLY 170 Ca -0.15 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.12 0.00 -2.07 2.61 -2.24 -0.61 -4.65 114.28 105.20 3i1k n THR 171 Ca 0.00 -0.08 -0.38 0.00 -2.27 0.00 0.00 64.05 61.32 3i1k n THR 171 Cb 0.00 0.91 0.01 0.00 -2.10 0.00 0.00 70.33 69.14 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 -2.83 3.01 -0.34 6.98 0.00 -0.58 -4.96 121.76 123.04 3i1k s ALA 172 Ca 0.12 1.13 -0.21 0.00 0.00 0.00 0.00 51.96 53.00 3i1k s ALA 172 Cb 0.17 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.83 3i1k s ALA 172 CO 0.74 -0.90 0.68 0.21 0.00 0.00 0.00 175.76 176.49 3i1k s LYS 173 N -2.62 3.77 0.44 0.00 2.47 -1.26 -4.11 119.74 118.43 3i1k s LYS 173 Ca 0.64 0.22 -0.23 0.00 -1.56 0.00 0.00 55.97 55.03 3i1k s LYS 173 Cb -0.35 -3.78 -0.08 0.00 -1.46 0.00 0.00 37.83 32.16 3i1k s LYS 173 CO 0.42 -0.72 1.15 1.41 0.16 0.00 0.00 175.35 177.77 3i1k s MET 174 N 2.80 3.86 0.21 4.03 -2.45 -1.26 -4.97 119.30 121.53 3i1k s MET 174 Ca 0.27 1.75 -0.30 0.00 -1.25 0.00 0.00 55.69 56.16 3i1k s MET 174 Cb -0.14 -2.47 -0.16 0.00 1.25 0.00 0.00 34.83 33.31 3i1k s MET 174 CO 0.14 -0.46 0.88 -2.30 1.05 0.00 0.00 175.02 174.33 3i1k n PRO 175 N -0.34 0.75 0.21 4.11 -0.02 -1.26 -4.87 135.00 133.57 3i1k n PRO 175 Ca 0.06 0.26 0.13 0.00 -2.02 0.00 0.00 63.50 61.94 3i1k n PRO 175 Cb 0.48 -1.54 0.29 0.00 -0.02 0.00 0.00 33.50 32.70 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 2.03 0.00 -3.25 2.55 3.32 -1.43 -3.42 116.42 116.22 3i1k h ASP 176 Ca -0.37 0.00 -0.45 0.00 0.02 0.00 0.00 57.03 56.23 3i1k h ASP 176 Cb 1.38 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 40.54 3i1k h ASP 176 CO 0.62 0.00 -0.76 0.21 -1.72 0.00 0.00 179.24 177.58 3i1k s ASN 177 N -5.88 1.91 0.52 6.45 2.47 -0.52 -3.44 114.94 116.45 3i1k s ASN 177 Ca 0.06 -0.28 -0.19 0.00 0.42 0.00 0.00 52.86 52.88 3i1k s ASN 177 Cb 0.07 -0.45 -0.07 0.00 -1.45 0.00 0.00 41.25 39.35 3i1k s ASN 177 CO 0.63 -0.23 1.05 -2.16 -3.72 0.00 0.00 177.10 172.67 3i1k s PRO 178 N 1.97 3.65 -0.28 0.43 0.04 -1.26 -4.39 135.00 135.15 3i1k s PRO 178 Ca 0.03 1.35 -0.24 0.00 0.04 0.00 0.00 61.00 62.19 3i1k s PRO 178 Cb -0.14 -2.07 -0.00 0.00 0.04 0.00 0.00 34.50 32.33 3i1k s PRO 178 CO -0.06 -0.56 0.80 -1.14 0.04 0.00 0.00 177.00 176.08 3i1k s GLN 179 N -3.43 4.06 -0.05 4.56 2.00 -0.07 -4.81 119.66 121.91 3i1k s GLN 179 Ca 0.67 0.72 -0.22 0.00 -2.00 0.00 0.00 55.36 54.53 3i1k s GLN 179 Cb -0.17 -3.69 -0.04 0.00 0.80 0.00 0.00 33.01 29.90 3i1k s GLN 179 CO 0.24 -0.61 0.64 -1.17 -0.50 0.00 0.00 175.29 173.90 3i1k s LEU 180 N 2.90 4.34 0.12 3.68 2.96 -1.26 -2.01 118.68 129.42 3i1k s LEU 180 Ca 0.33 1.14 0.11 0.00 -0.22 0.00 0.00 54.13 55.49 3i1k s LEU 180 Cb -0.15 -2.99 -0.04 0.00 0.50 0.00 0.00 46.19 43.51 3i1k s LEU 180 CO 0.10 -0.04 -0.27 0.68 -1.32 0.00 0.00 176.35 175.51 3i1k s VAL 181 N 0.47 2.23 -0.15 1.68 -7.23 0.13 -1.36 120.40 116.18 3i1k s VAL 181 Ca 0.34 -1.72 0.02 0.00 -1.81 0.00 0.00 61.98 58.81 3i1k s VAL 181 Cb -0.18 -1.97 0.02 0.00 0.56 0.00 0.00 36.38 34.81 3i1k s VAL 181 CO 0.17 0.11 -0.19 -0.63 -0.31 0.00 0.00 175.10 174.25 3i1k s ILE 182 N -1.04 1.89 0.22 -0.62 1.01 0.17 -1.69 121.20 121.15 3i1k s ILE 182 Ca 0.14 -0.86 -0.27 0.00 0.00 0.00 0.00 60.65 59.66 3i1k s ILE 182 Cb -0.10 -1.71 -0.09 0.00 0.01 0.00 0.00 42.46 40.58 3i1k s ILE 182 CO 0.06 0.52 0.86 -0.36 0.00 0.00 0.00 174.94 176.01 3i1k s PHE 183 N 1.12 3.89 0.31 3.97 0.40 -0.18 -0.86 117.98 126.62 3i1k s PHE 183 Ca -0.01 1.75 0.06 0.00 -0.60 0.00 0.00 56.93 58.13 3i1k s PHE 183 Cb -0.14 -2.86 0.75 0.00 0.51 0.00 0.00 43.02 41.27 3i1k s PHE 183 CO -0.07 0.43 1.78 -0.44 0.70 0.00 0.00 175.22 177.62 3i1k h ASP 184 N 4.01 0.78 -4.46 1.36 3.32 -1.41 -3.42 116.42 116.60 3i1k h ASP 184 Ca -0.46 0.10 -0.28 0.00 0.02 0.00 0.00 57.03 56.40 3i1k h ASP 184 Cb 1.20 -0.04 -0.24 0.00 0.22 0.00 0.00 39.33 40.47 3i1k h ASP 184 CO 0.67 0.28 -0.74 0.00 -1.72 0.00 0.00 179.24 177.72 3i1k s ALA 185 N -5.84 0.49 0.08 3.45 0.00 -1.26 -5.11 121.76 113.57 3i1k s ALA 185 Ca -0.11 -0.56 -0.36 0.00 0.00 0.00 0.00 51.96 50.93 3i1k s ALA 185 Cb 0.25 -0.00 -0.18 0.00 0.00 0.00 0.00 23.12 23.19 3i1k s ALA 185 CO 0.80 0.02 1.12 0.28 0.00 0.00 0.00 175.76 177.98 3i1k n VAL 186 N 2.01 0.39 -3.61 0.00 0.31 -1.26 -4.88 118.33 111.28 3i1k n VAL 186 Ca -0.19 -0.10 -0.11 0.00 -0.01 0.00 0.00 64.34 63.93 3i1k n VAL 186 Cb 0.56 -0.43 -0.04 0.00 -0.91 0.00 0.00 33.84 33.02 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 0.00 0.04 -0.22 2.52 -1.32 -0.64 -5.02 115.64 111.01 3i1k s THR 187 Ca 0.82 -0.50 -0.04 0.00 -1.21 0.00 0.00 61.69 60.76 3i1k s THR 187 Cb -1.05 -1.23 -0.01 0.00 -1.51 0.00 0.00 72.50 68.69 3i1k s THR 187 CO 0.53 -0.20 -0.03 -0.75 -2.21 0.00 0.00 174.62 171.96 3i1k s LYS 188 N -3.81 3.42 -0.26 7.08 2.20 -1.26 -3.97 119.74 123.14 3i1k s LYS 188 Ca 0.04 -0.60 -0.25 0.00 -0.36 0.00 0.00 55.97 54.79 3i1k s LYS 188 Cb 0.01 -3.05 0.08 0.00 -1.51 0.00 0.00 37.83 33.36 3i1k s LYS 188 CO -0.10 -0.18 0.76 -1.17 -0.36 0.00 0.00 175.35 174.30 3i1k s LEU 189 N 1.46 -0.70 -0.10 5.43 1.98 -1.26 -5.08 118.68 120.40 3i1k s LEU 189 Ca 0.05 1.31 -0.04 0.00 -2.89 0.00 0.00 54.13 52.57 3i1k s LEU 189 Cb -0.14 2.39 0.05 0.00 0.66 0.00 0.00 46.19 49.15 3i1k s LEU 189 CO -0.02 -0.26 0.21 -0.55 -1.89 0.00 0.00 176.35 173.84 3i1k s SER 190 N 0.25 0.39 0.01 3.68 0.15 -1.26 -1.68 113.70 115.24 3i1k s SER 190 Ca -0.00 0.47 0.08 0.00 0.70 0.00 0.00 55.95 57.19 3i1k s SER 190 Cb -0.05 0.47 -0.03 0.00 -1.71 0.00 0.00 66.02 64.71 3i1k s SER 190 CO 0.01 -0.23 -0.23 0.28 1.20 0.00 0.00 173.24 174.27 3i1k s THR 191 N 2.14 2.37 -0.09 6.45 -1.32 0.24 -4.95 115.64 120.49 3i1k s THR 191 Ca -0.00 -1.19 -0.14 0.00 -1.21 0.00 0.00 61.69 59.15 3i1k s THR 191 Cb -0.12 -1.91 -0.05 0.00 -1.51 0.00 0.00 72.50 68.91 3i1k s THR 191 CO -0.07 0.45 0.35 -1.10 -2.21 0.00 0.00 174.62 172.03 3i1k s GLN 192 N -1.05 4.03 0.19 7.08 -0.21 -1.26 -0.15 119.66 128.29 3i1k s GLN 192 Ca 0.12 0.24 0.06 0.00 0.02 0.00 0.00 55.36 55.80 3i1k s GLN 192 Cb -0.10 -3.32 -0.05 0.00 1.00 0.00 0.00 33.01 30.55 3i1k s GLN 192 CO 0.02 0.47 -0.10 -0.59 -2.12 0.00 0.00 175.29 172.97 3i1k s PHE 193 N -0.31 1.52 -0.07 0.91 -0.71 -0.12 -2.08 117.98 117.11 3i1k s PHE 193 Ca 0.20 -0.71 0.03 0.00 -1.04 0.00 0.00 56.93 55.42 3i1k s PHE 193 Cb -0.15 -0.77 0.01 0.00 -1.21 0.00 0.00 43.02 40.90 3i1k s PHE 193 CO 0.09 0.18 -0.17 0.08 -1.34 0.00 0.00 175.22 174.06 3i1k s VAL 194 N -3.18 1.53 -0.30 -2.49 1.01 -1.26 -1.02 120.40 114.69 3i1k s VAL 194 Ca 0.21 -0.72 -0.10 0.00 0.00 0.00 0.00 61.98 61.38 3i1k s VAL 194 Cb 0.02 -1.35 -0.02 0.00 0.00 0.00 0.00 36.38 35.03 3i1k s VAL 194 CO 0.05 0.44 0.16 -0.76 0.00 0.00 0.00 175.10 174.99 3i1k s LEU 195 N 0.45 4.03 0.62 3.92 1.43 -0.57 -4.64 118.68 123.92 3i1k s LEU 195 Ca -0.15 -0.34 -0.13 0.00 -1.03 0.00 0.00 54.13 52.49 3i1k s LEU 195 Cb -0.16 -2.03 -0.03 0.00 0.03 0.00 0.00 46.19 44.00 3i1k s LEU 195 CO 0.05 -0.14 1.04 -2.16 0.23 0.00 0.00 176.35 175.37 3i1k s PRO 196 N 1.66 3.39 0.00 1.29 0.04 -1.26 -1.14 135.00 138.98 3i1k s PRO 196 Ca 0.06 0.92 0.28 0.00 0.04 0.00 0.00 61.00 62.29 3i1k s PRO 196 Cb -0.17 -2.05 1.09 0.00 0.04 0.00 0.00 34.50 33.41 3i1k s PRO 196 CO 0.07 -0.73 1.78 0.27 0.04 0.00 0.00 177.00 178.43 3i1k n ASN 197 N -2.58 0.60 -3.61 6.66 0.23 -1.26 -4.65 115.26 110.64 3i1k n ASN 197 Ca 0.07 -0.62 -0.10 0.00 -0.53 0.00 0.00 54.58 53.40 3i1k n ASN 197 Cb 0.54 -0.02 -0.02 0.00 -2.08 0.00 0.00 39.78 38.19 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 -2.50 -0.43 -0.34 0.53 1.04 -1.26 -0.95 113.70 109.79 3i1k s SER 198 Ca 0.27 -0.27 0.03 0.00 0.48 0.00 0.00 55.95 56.47 3i1k s SER 198 Cb 0.20 0.65 0.16 0.00 0.10 0.00 0.00 66.02 67.13 3i1k s SER 198 CO 0.49 -1.13 0.43 -0.55 0.98 0.00 0.00 173.24 173.47 3i1k s SER 199 N -2.82 0.36 -0.96 7.02 0.15 0.67 -4.84 113.70 113.28 3i1k s SER 199 Ca 0.05 -0.86 -0.10 0.00 0.70 0.00 0.00 55.95 55.74 3i1k s SER 199 Cb -0.03 1.05 -0.00 0.00 -1.71 0.00 0.00 66.02 65.33 3i1k s SER 199 CO -0.04 -0.29 0.72 0.47 1.20 0.00 0.00 173.24 175.30 3i1k n ASP 200 N 4.83 -5.82 0.00 5.45 8.00 -1.26 -2.35 116.55 125.40 3i1k n ASP 200 Ca 0.06 -0.78 0.00 0.00 0.71 0.00 0.00 54.79 54.78 3i1k n ASP 200 Cb 0.49 -3.41 0.00 0.00 -0.02 0.00 0.00 41.12 38.19 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 -1.69 2.71 3.69 0.44 0.00 -1.26 -5.01 105.19 104.06 3i1k n GLY 201 Ca -0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.12 5.18 0.04 1.61 1.01 -0.99 -5.07 120.40 120.05 3i1k s VAL 202 Ca 0.00 0.85 -0.30 0.00 0.00 0.00 0.00 61.98 62.53 3i1k s VAL 202 Cb 0.00 -3.79 -0.05 0.00 0.00 0.00 0.00 36.38 32.54 3i1k s VAL 202 CO 0.00 0.26 1.20 -0.44 0.00 0.00 0.00 175.10 176.12 3i1k s SER 203 N 0.89 7.08 -0.89 3.32 0.01 -1.26 -0.23 113.70 122.61 3i1k s SER 203 Ca 0.23 1.97 -0.11 0.00 1.31 0.00 0.00 55.95 59.35 3i1k s SER 203 Cb -0.15 -2.57 0.23 0.00 0.21 0.00 0.00 66.02 63.74 3i1k s SER 203 CO 0.09 -0.49 0.83 0.00 0.41 0.00 0.00 173.24 174.08 3i1k h THR 205 N 4.47 0.14 -4.00 0.00 1.35 -1.23 -3.40 112.91 110.24 3i1k h THR 205 Ca 0.12 -1.21 -0.12 0.00 -0.55 0.00 0.00 66.41 64.65 3i1k h THR 205 Cb 0.97 1.94 -0.13 0.00 -1.73 0.00 0.00 68.15 69.20 3i1k h THR 205 CO 0.82 0.08 -0.39 -1.59 -0.25 0.00 0.00 175.52 174.19 3i1k s LYS 206 N -3.20 1.10 0.01 4.72 -2.85 -0.78 -4.44 119.74 114.30 3i1k s LYS 206 Ca 0.04 -1.23 0.03 0.00 -1.00 0.00 0.00 55.97 53.82 3i1k s LYS 206 Cb 0.07 0.35 -0.01 0.00 -2.06 0.00 0.00 37.83 36.17 3i1k s LYS 206 CO 0.72 -0.38 -0.10 -1.01 0.10 0.00 0.00 175.35 174.67 3i1k s HIS 207 N -3.98 0.90 -0.35 1.78 3.76 0.16 -1.14 115.29 116.42 3i1k s HIS 207 Ca 0.18 -0.24 -0.12 0.00 -0.15 0.00 0.00 55.06 54.73 3i1k s HIS 207 Cb 0.04 -0.56 -0.00 0.00 1.11 0.00 0.00 32.58 33.17 3i1k s HIS 207 CO 0.00 -0.01 0.23 -1.17 -0.85 0.00 0.00 174.74 172.94 3i1k s LEU 208 N -0.59 4.58 -0.06 0.89 2.96 0.04 -0.72 118.68 125.78 3i1k s LEU 208 Ca 0.02 -0.61 0.02 0.00 -0.22 0.00 0.00 54.13 53.33 3i1k s LEU 208 Cb -0.05 -2.10 0.01 0.00 0.50 0.00 0.00 46.19 44.55 3i1k s LEU 208 CO 0.00 -0.29 -0.12 -0.69 -1.32 0.00 0.00 176.35 173.93 3i1k s VAL 209 N 1.67 1.09 0.45 1.68 1.01 -0.06 -1.77 120.40 124.47 3i1k s VAL 209 Ca 0.05 -0.46 -0.17 0.00 0.00 0.00 0.00 61.98 61.40 3i1k s VAL 209 Cb -0.18 -0.99 -0.09 0.00 0.00 0.00 0.00 36.38 35.12 3i1k s VAL 209 CO 0.09 0.34 0.91 -2.16 0.00 0.00 0.00 175.10 174.29 3i1k s PRO 210 N 0.59 4.02 -0.17 2.72 0.04 -1.26 -0.21 135.00 140.73 3i1k s PRO 210 Ca -0.13 0.90 -0.05 0.00 0.04 0.00 0.00 61.00 61.77 3i1k s PRO 210 Cb -0.15 -2.22 0.06 0.00 0.04 0.00 0.00 34.50 32.23 3i1k s PRO 210 CO 0.03 -0.11 0.09 0.12 0.04 0.00 0.00 177.00 177.17 3i1k s PHE 211 N -2.37 0.25 0.27 0.56 5.36 -0.15 -4.68 117.98 117.21 3i1k s PHE 211 Ca 0.58 -0.35 0.12 0.00 -0.96 0.00 0.00 56.93 56.31 3i1k s PHE 211 Cb -0.10 -0.72 -0.05 0.00 -0.34 0.00 0.00 43.02 41.82 3i1k s PHE 211 CO 0.24 -0.52 -0.17 0.00 -1.46 0.00 0.00 175.22 173.31 3i1k s TYR 213 N -2.40 -0.26 -0.26 0.00 -0.85 -0.40 -4.98 117.35 108.20 3i1k s TYR 213 Ca 0.29 -0.12 -0.03 0.00 -0.52 0.00 0.00 57.07 56.69 3i1k s TYR 213 Cb -0.06 0.63 0.02 0.00 0.38 0.00 0.00 41.96 42.94 3i1k s TYR 213 CO 0.15 -1.11 -0.02 0.42 -1.52 0.00 0.00 175.55 173.47 3i1k s ILE 214 N -3.87 3.13 0.32 -3.49 1.01 -1.26 -0.90 121.20 116.14 3i1k s ILE 214 Ca 0.09 -0.99 -0.02 0.00 0.00 0.00 0.00 60.65 59.72 3i1k s ILE 214 Cb -0.04 -2.62 0.07 0.00 0.01 0.00 0.00 42.46 39.88 3i1k s ILE 214 CO 0.01 0.14 0.44 -0.90 0.00 0.00 0.00 174.94 174.63 3i1k n ASP 215 N 4.71 0.36 -0.06 3.58 5.75 -0.43 -4.84 116.55 125.61 3i1k n ASP 215 Ca -0.16 -1.36 0.00 0.00 -0.01 0.00 0.00 54.79 53.26 3i1k n ASP 215 Cb 0.47 -0.31 0.00 0.00 -1.03 0.00 0.00 41.12 40.25 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 1.82 1.27 7.00 6.12 0.00 -1.26 -3.40 105.19 116.75 3i1k n GLY 216 Ca 0.07 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.48 -1.33 3.68 -0.02 0.00 -1.26 -3.76 105.19 102.02 3i1k n GLY 217 Ca 0.00 -1.24 -0.36 0.00 0.00 0.00 0.00 46.02 44.42 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 -1.62 3.42 -0.03 0.00 5.36 0.67 -4.49 117.98 121.29 3i1k s PHE 219 Ca 0.78 -2.12 -0.30 0.00 -0.96 0.00 0.00 56.93 54.33 3i1k s PHE 219 Cb -0.36 -2.58 -0.04 0.00 -0.34 0.00 0.00 43.02 39.70 3i1k s PHE 219 CO 0.45 -0.87 1.17 -2.00 -1.46 0.00 0.00 175.22 172.51 3i1k s GLU 220 N 1.20 4.39 -0.04 10.12 2.12 -1.26 -1.83 118.70 133.40 3i1k s GLU 220 Ca 0.01 1.65 -0.00 0.00 0.36 0.00 0.00 54.97 56.99 3i1k s GLU 220 Cb -0.21 -3.50 0.03 0.00 0.26 0.00 0.00 34.13 30.71 3i1k s GLU 220 CO -0.02 -0.36 0.00 -1.64 -0.54 0.00 0.00 175.26 172.70 3i1k s MET 221 N 1.85 0.41 -1.40 4.30 -1.94 -0.14 -4.88 119.30 117.50 3i1k s MET 221 Ca 0.56 0.10 -0.05 0.00 -1.71 0.00 0.00 55.69 54.59 3i1k s MET 221 Cb -0.25 -0.68 0.03 0.00 2.01 0.00 0.00 34.83 35.95 3i1k s MET 221 CO 0.24 -0.20 0.78 0.43 -0.01 0.00 0.00 175.02 176.25 3i1k n SER 222 N 4.58 -2.39 -0.44 3.03 7.64 -1.26 -2.48 113.62 122.30 3i1k n SER 222 Ca -0.17 -0.82 -0.06 0.00 1.01 0.00 0.00 58.87 58.82 3i1k n SER 222 Cb 0.50 -3.89 -0.02 0.00 -1.01 0.00 0.00 64.21 59.79 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 -1.65 0.80 2.89 0.23 0.00 -1.26 -5.00 105.19 101.20 3i1k n GLY 223 Ca -0.18 -0.51 -0.23 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.11 0.72 -0.41 1.61 1.01 -1.04 -5.11 120.40 115.07 3i1k s VAL 224 Ca 0.00 -0.17 -0.18 0.00 0.00 0.00 0.00 61.98 61.63 3i1k s VAL 224 Cb 0.00 -0.75 0.02 0.00 0.00 0.00 0.00 36.38 35.64 3i1k s VAL 224 CO 0.00 0.29 0.46 0.00 0.00 0.00 0.00 175.10 175.85 3i1k s HIS 226 N 2.23 3.55 0.37 0.00 3.76 -0.76 -4.77 115.29 119.66 3i1k s HIS 226 Ca 0.14 0.37 -0.27 0.00 -0.15 0.00 0.00 55.06 55.14 3i1k s HIS 226 Cb -0.16 -1.84 -0.10 0.00 1.11 0.00 0.00 32.58 31.59 3i1k s HIS 226 CO 0.14 0.63 1.36 -2.14 -0.85 0.00 0.00 174.74 173.88 3i1k s PRO 227 N -2.05 4.12 -0.24 8.40 0.02 -1.26 -0.24 135.00 143.76 3i1k s PRO 227 Ca 0.29 2.30 -0.06 0.00 0.02 0.00 0.00 61.00 63.55 3i1k s PRO 227 Cb -0.13 -2.92 -0.02 0.00 0.02 0.00 0.00 34.50 31.45 3i1k s PRO 227 CO 0.20 -0.42 0.03 0.12 -0.33 0.00 0.00 177.00 176.60 3i1k s PHE 228 N -1.18 3.04 0.00 6.54 5.36 -0.39 -4.67 117.98 126.68 3i1k s PHE 228 Ca 0.53 -0.59 0.00 0.00 -0.96 0.00 0.00 56.93 55.91 3i1k s PHE 228 Cb -0.41 -2.18 0.00 0.00 -0.34 0.00 0.00 43.02 40.09 3i1k s PHE 228 CO 0.55 -0.41 0.00 0.41 -1.46 0.00 0.00 175.22 174.31 3i1k n GLY 229 N 4.82 1.11 3.84 13.12 0.00 -1.26 -1.17 105.19 125.64 3i1k n GLY 229 Ca -0.17 -0.56 0.01 0.00 0.00 0.00 0.00 46.02 45.31 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 0.00 0.12 1.61 -0.85 -0.57 -3.33 117.35 112.33 3i1k s TYR 230 Ca 0.00 -0.16 -0.17 0.00 -0.52 0.00 0.00 57.07 56.22 3i1k s TYR 230 Cb 0.00 0.58 0.04 0.00 0.38 0.00 0.00 41.96 42.95 3i1k s TYR 230 CO 0.00 -0.37 0.42 1.52 -1.52 0.00 0.00 175.55 175.61 3i1k s TYR 231 N -2.21 -0.25 -0.09 -3.49 1.13 -0.83 -1.39 117.35 110.22 3i1k s TYR 231 Ca 0.23 -0.02 -0.08 0.00 -1.41 0.00 0.00 57.07 55.79 3i1k s TYR 231 Cb 0.01 0.29 -0.04 0.00 -1.10 0.00 0.00 41.96 41.11 3i1k s TYR 231 CO -0.01 -0.70 0.19 0.71 -2.51 0.00 0.00 175.55 173.23 3i1k s TYR 232 N -3.62 3.61 0.00 -3.49 2.02 0.11 -1.39 117.35 114.59 3i1k s TYR 232 Ca 0.02 0.58 -0.16 0.00 -0.37 0.00 0.00 57.07 57.14 3i1k s TYR 232 Cb 0.01 -1.98 0.03 0.00 -0.40 0.00 0.00 41.96 39.62 3i1k s TYR 232 CO -0.11 0.71 0.34 -1.83 -1.57 0.00 0.00 175.55 173.09 3i1k s GLU 233 N -1.16 0.74 0.37 -0.62 -1.05 0.15 -1.82 118.70 115.30 3i1k s GLU 233 Ca 0.18 -0.24 -0.06 0.00 -0.15 0.00 0.00 54.97 54.70 3i1k s GLU 233 Cb -0.13 0.33 0.02 0.00 -0.44 0.00 0.00 34.13 33.91 3i1k s GLU 233 CO 0.07 -0.22 0.57 -1.54 0.95 0.00 0.00 175.26 175.10 3i1k s SER 234 N -1.53 0.74 0.62 0.83 1.04 -0.31 -0.50 113.70 114.60 3i1k s SER 234 Ca -0.11 -1.43 0.35 0.00 0.48 0.00 0.00 55.95 55.23 3i1k s SER 234 Cb -0.04 0.73 1.99 0.00 0.10 0.00 0.00 66.02 68.81 3i1k s SER 234 CO 0.03 -1.44 2.25 -0.65 0.98 0.00 0.00 173.24 174.41 3i1k h PRO 235 N 2.06 0.00 0.00 4.02 0.11 -2.02 -2.79 132.00 133.38 3i1k h PRO 235 Ca -0.29 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.81 3i1k h PRO 235 Cb 1.24 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 3i1k h PRO 235 CO 0.39 0.00 -0.34 -1.13 -0.21 0.00 0.00 178.00 176.72 3i1k n SER 236 N -3.53 1.85 -3.68 -2.05 3.41 -1.26 -5.04 113.62 103.33 3i1k n SER 236 Ca -0.02 -3.41 -0.13 0.00 -0.26 0.00 0.00 58.87 55.05 3i1k n SER 236 Cb 0.14 -0.47 -0.09 0.00 -0.26 0.00 0.00 64.21 63.54 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 -2.79 -0.67 -0.09 7.33 5.36 -1.05 -5.13 117.98 120.94 3i1k s PHE 237 Ca 0.34 1.57 -0.05 0.00 -0.96 0.00 0.00 56.93 57.83 3i1k s PHE 237 Cb 0.32 0.26 0.04 0.00 -0.34 0.00 0.00 43.02 43.30 3i1k s PHE 237 CO -0.03 -0.33 0.21 -0.47 -1.46 0.00 0.00 175.22 173.14 3i1k s TYR 238 N 0.54 -0.26 -0.10 10.12 5.04 -1.26 -1.16 117.35 130.26 3i1k s TYR 238 Ca -0.02 0.66 -0.04 0.00 -2.44 0.00 0.00 57.07 55.23 3i1k s TYR 238 Cb -0.04 0.01 0.05 0.00 0.35 0.00 0.00 41.96 42.33 3i1k s TYR 238 CO -0.03 -0.19 0.20 -1.58 -1.34 0.00 0.00 175.55 172.62 3i1k s HIS 239 N 1.04 -0.28 0.20 4.97 5.65 -0.76 -5.02 115.29 121.09 3i1k s HIS 239 Ca -0.08 0.73 0.00 0.00 0.25 0.00 0.00 55.06 55.97 3i1k s HIS 239 Cb -0.09 -0.10 -0.05 0.00 -1.18 0.00 0.00 32.58 31.16 3i1k s HIS 239 CO -0.06 -0.27 0.07 0.20 -0.65 0.00 0.00 174.74 174.03 3i1k s GLY 240 N 1.91 1.37 -0.01 1.59 0.00 -1.26 -0.71 107.32 110.21 3i1k s GLY 240 Ca -0.02 -1.67 -0.07 0.00 0.00 0.00 0.00 44.72 42.96 3i1k s GLY 240 CO -0.07 -1.49 0.15 -0.12 0.00 0.00 0.00 173.10 171.57 3i1k s PHE 241 N -3.88 -0.02 -0.24 1.90 5.36 -0.49 -5.00 117.98 115.62 3i1k s PHE 241 Ca 0.31 0.01 -0.14 0.00 -0.96 0.00 0.00 56.93 56.15 3i1k s PHE 241 Cb 0.07 -0.02 0.07 0.00 -0.34 0.00 0.00 43.02 42.80 3i1k s PHE 241 CO 0.08 -0.24 0.58 -0.47 -1.46 0.00 0.00 175.22 173.72 3i1k s TYR 242 N -1.01 -0.86 -0.06 10.12 5.04 -1.26 -1.52 117.35 127.81 3i1k s TYR 242 Ca -0.11 1.78 -0.03 0.00 -2.44 0.00 0.00 57.07 56.27 3i1k s TYR 242 Cb -0.06 0.46 0.03 0.00 0.35 0.00 0.00 41.96 42.74 3i1k s TYR 242 CO 0.01 -0.44 0.13 -0.08 -1.34 0.00 0.00 175.55 173.84 3i1k s THR 243 N 1.38 -0.04 -0.10 4.34 -1.32 -0.32 -5.01 115.64 114.57 3i1k s THR 243 Ca -0.09 0.15 0.17 0.00 -1.21 0.00 0.00 61.69 60.71 3i1k s THR 243 Cb -0.06 -0.22 0.38 0.00 -1.51 0.00 0.00 72.50 71.09 3i1k s THR 243 CO -0.15 0.06 1.18 -3.20 -2.21 0.00 0.00 174.62 170.30 3i1k n ASN 244 N 3.98 1.35 -3.43 8.08 5.15 -1.26 -1.26 115.26 127.86 3i1k n ASN 244 Ca -0.24 -2.93 -0.26 0.00 -0.60 0.00 0.00 54.58 50.55 3i1k n ASN 244 Cb 0.53 -0.40 0.21 0.00 -0.53 0.00 0.00 39.78 39.59 3i1k n ASN 244 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3i1k n GLY 245 N -0.42 -2.58 3.77 8.20 0.00 -1.26 -4.60 105.19 108.31 3i1k n GLY 245 Ca 0.12 -1.51 -0.41 0.00 0.00 0.00 0.00 46.02 44.22 3i1k n GLY 245 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i1k s THR 246 N -2.80 2.19 0.33 2.61 2.01 -1.26 -1.10 115.64 117.61 3i1k s THR 246 Ca 0.62 0.18 -0.28 0.00 0.31 0.00 0.00 61.69 62.52 3i1k s THR 246 Cb -0.05 -3.12 -0.09 0.00 0.01 0.00 0.00 72.50 69.24 3i1k s THR 246 CO 0.47 0.04 1.16 0.00 -0.69 0.00 0.00 174.62 175.60 3i1k s ALA 247 N -0.98 3.34 0.00 7.40 0.00 -1.26 -4.26 121.76 126.00 3i1k s ALA 247 Ca 0.53 0.98 0.00 0.00 0.00 0.00 0.00 51.96 53.48 3i1k s ALA 247 Cb -0.45 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.30 3i1k s ALA 247 CO 0.59 -0.36 0.00 0.41 0.00 0.00 0.00 175.76 176.40 3i1k n GLY 248 N 0.91 0.48 3.66 0.00 0.00 -1.25 -5.03 105.19 103.96 3i1k n GLY 248 Ca 0.01 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 3i1k n GLY 248 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3i1k s LEU 249 N 0.00 4.43 -0.11 0.99 2.96 -1.26 -4.91 118.68 120.78 3i1k s LEU 249 Ca 0.00 2.69 -0.11 0.00 -0.22 0.00 0.00 54.13 56.49 3i1k s LEU 249 Cb 0.00 -3.53 -0.05 0.00 0.50 0.00 0.00 46.19 43.11 3i1k s LEU 249 CO 0.00 -1.05 0.24 -1.00 -1.32 0.00 0.00 176.35 173.22 3i1k s HIS 250 N 4.29 3.58 -0.03 5.38 3.76 -1.26 -4.14 115.29 126.88 3i1k s HIS 250 Ca 0.88 0.64 0.04 0.00 -0.15 0.00 0.00 55.06 56.46 3i1k s HIS 250 Cb -0.43 -2.13 -0.00 0.00 1.11 0.00 0.00 32.58 31.12 3i1k s HIS 250 CO 0.41 0.56 -0.14 -1.12 -0.85 0.00 0.00 174.74 173.61 3i1k s SER 251 N -0.58 1.72 -0.38 1.40 0.01 -1.22 -0.35 113.70 114.30 3i1k s SER 251 Ca 0.17 -0.27 -0.23 0.00 1.31 0.00 0.00 55.95 56.93 3i1k s SER 251 Cb -0.13 -0.40 0.01 0.00 0.21 0.00 0.00 66.02 65.71 3i1k s SER 251 CO 0.06 0.13 0.76 -0.47 0.41 0.00 0.00 173.24 174.12 3i1k s TYR 252 N -0.00 3.09 -0.02 2.43 5.04 -1.26 -1.32 117.35 125.30 3i1k s TYR 252 Ca -0.01 0.43 0.08 0.00 -2.44 0.00 0.00 57.07 55.12 3i1k s TYR 252 Cb -0.09 -3.42 -0.02 0.00 0.35 0.00 0.00 41.96 38.79 3i1k s TYR 252 CO 0.01 -0.77 -0.26 0.42 -1.34 0.00 0.00 175.55 173.61 3i1k s ILE 253 N 3.08 2.03 -0.06 3.14 1.01 -0.08 -4.92 121.20 125.40 3i1k s ILE 253 Ca 0.30 -1.09 0.05 0.00 0.00 0.00 0.00 60.65 59.90 3i1k s ILE 253 Cb -0.13 -1.69 -0.02 0.00 0.01 0.00 0.00 42.46 40.63 3i1k s ILE 253 CO 0.18 0.57 -0.21 0.00 0.00 0.00 0.00 174.94 175.48 3i1k s ASP 255 N -0.25 6.26 -0.19 0.00 1.01 0.52 -4.89 116.67 119.14 3i1k s ASP 255 Ca -0.00 0.31 -0.00 0.00 0.71 0.00 0.00 52.55 53.56 3i1k s ASP 255 Cb -0.13 -1.94 0.01 0.00 1.01 0.00 0.00 42.92 41.87 3i1k s ASP 255 CO 0.03 0.26 -0.16 -0.31 0.21 0.00 0.00 175.17 175.19 3i1k s TYR 256 N -1.32 2.82 -0.04 4.23 1.51 -1.26 -0.98 117.35 122.31 3i1k s TYR 256 Ca 0.27 -1.46 0.01 0.00 -1.01 0.00 0.00 57.07 54.88 3i1k s TYR 256 Cb -0.13 -1.96 -0.03 0.00 -0.11 0.00 0.00 41.96 39.73 3i1k s TYR 256 CO 0.19 -0.73 -0.02 -0.51 -1.11 0.00 0.00 175.55 173.36 3i1k s LEU 257 N 1.31 3.43 -0.28 -1.29 1.43 0.71 -4.92 118.68 119.07 3i1k s LEU 257 Ca 0.05 0.02 -0.17 0.00 -1.03 0.00 0.00 54.13 53.00 3i1k s LEU 257 Cb -0.13 -1.88 -0.03 0.00 0.03 0.00 0.00 46.19 44.18 3i1k s LEU 257 CO -0.10 0.33 0.45 -0.70 0.23 0.00 0.00 176.35 176.56 3i1k s GLU 258 N -1.20 3.95 -0.02 1.70 2.12 -1.26 -0.88 118.70 123.11 3i1k s GLU 258 Ca 0.16 0.10 0.04 0.00 0.36 0.00 0.00 54.97 55.63 3i1k s GLU 258 Cb -0.11 -3.69 -0.01 0.00 0.26 0.00 0.00 34.13 30.58 3i1k s GLU 258 CO 0.06 -0.38 -0.14 -1.64 -0.54 0.00 0.00 175.26 172.62 3i1k s MET 259 N 2.22 1.22 0.60 4.30 -1.94 0.10 -4.95 119.30 120.86 3i1k s MET 259 Ca 0.18 -0.50 -0.15 0.00 -1.71 0.00 0.00 55.69 53.52 3i1k s MET 259 Cb -0.16 -1.15 -0.03 0.00 2.01 0.00 0.00 34.83 35.50 3i1k s MET 259 CO 0.10 0.27 1.05 0.15 -0.01 0.00 0.00 175.02 176.58 3i1k s LYS 260 N -0.21 3.35 0.51 2.03 1.02 -1.26 -0.66 119.74 124.52 3i1k s LYS 260 Ca 0.03 1.10 -0.23 0.00 0.02 0.00 0.00 55.97 56.89 3i1k s LYS 260 Cb -0.07 -2.04 -0.06 0.00 -0.52 0.00 0.00 37.83 35.14 3i1k s LYS 260 CO -0.00 -0.77 1.34 -0.35 -0.92 0.00 0.00 175.35 174.65 3i1k n PRO 261 N -2.21 1.81 -2.12 -1.68 -0.04 -1.26 -4.86 135.00 124.63 3i1k n PRO 261 Ca 0.08 0.66 0.00 0.00 -0.04 0.00 0.00 63.50 64.20 3i1k n PRO 261 Cb 0.53 -2.54 0.00 0.00 -0.04 0.00 0.00 33.50 31.45 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 0.75 -0.27 3.82 0.55 0.00 -0.29 -4.98 105.19 104.77 3i1k n GLY 262 Ca 0.09 -1.55 -0.36 0.00 0.00 0.00 0.00 46.02 44.20 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 -2.52 5.31 0.07 1.61 1.01 -1.26 -1.52 120.40 123.10 3i1k s VAL 263 Ca 0.00 0.14 0.01 0.00 0.00 0.00 0.00 61.98 62.12 3i1k s VAL 263 Cb 0.00 -3.32 -0.04 0.00 0.00 0.00 0.00 36.38 33.02 3i1k s VAL 263 CO 0.00 0.59 -0.05 -0.31 0.00 0.00 0.00 175.10 175.33 3i1k s TYR 264 N -0.76 0.67 -0.07 5.22 2.02 -0.19 -4.79 117.35 119.45 3i1k s TYR 264 Ca 0.13 -0.88 -0.00 0.00 -0.37 0.00 0.00 57.07 55.95 3i1k s TYR 264 Cb -0.12 -0.42 -0.03 0.00 -0.40 0.00 0.00 41.96 40.99 3i1k s TYR 264 CO 0.03 -0.23 -0.03 -0.80 -1.57 0.00 0.00 175.55 172.95 3i1k s ASN 265 N -2.66 4.96 -0.19 2.29 -0.87 0.35 -0.95 114.94 117.87 3i1k s ASN 265 Ca 0.05 0.05 -0.08 0.00 -1.57 0.00 0.00 52.86 51.30 3i1k s ASN 265 Cb 0.03 -1.32 -0.04 0.00 -0.02 0.00 0.00 41.25 39.90 3i1k s ASN 265 CO -0.06 0.36 0.08 0.00 -2.57 0.00 0.00 177.10 174.91 3i1k s ALA 266 N -0.88 3.45 -0.01 0.60 0.00 0.78 -0.68 121.76 125.03 3i1k s ALA 266 Ca 0.14 -0.77 0.03 0.00 0.00 0.00 0.00 51.96 51.35 3i1k s ALA 266 Cb -0.11 -2.00 -0.01 0.00 0.00 0.00 0.00 23.12 21.00 3i1k s ALA 266 CO 0.03 0.11 -0.09 0.99 0.00 0.00 0.00 175.76 176.80 3i1k s THR 267 N 0.49 0.68 0.18 0.00 2.01 -0.49 -0.59 115.64 117.92 3i1k s THR 267 Ca 0.04 -0.36 -0.05 0.00 0.31 0.00 0.00 61.69 61.63 3i1k s THR 267 Cb -0.12 -0.57 -0.06 0.00 0.01 0.00 0.00 72.50 71.76 3i1k s THR 267 CO 0.00 0.19 0.42 0.28 -0.69 0.00 0.00 174.62 174.83 3i1k s THR 268 N -0.18 5.12 -1.00 -0.82 -1.32 -0.68 -1.95 115.64 114.81 3i1k s THR 268 Ca 0.03 0.05 0.27 0.00 -1.21 0.00 0.00 61.69 60.83 3i1k s THR 268 Cb -0.04 -3.65 0.12 0.00 -1.51 0.00 0.00 72.50 67.43 3i1k s THR 268 CO -0.00 -0.04 1.68 0.49 -2.21 0.00 0.00 174.62 174.53 3i1k n PHE 269 N -0.14 0.00 0.00 9.09 3.01 -1.21 -4.64 117.46 123.56 3i1k n PHE 269 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.44 3i1k n PHE 269 Cb 0.52 -0.38 0.00 0.00 -0.01 0.00 0.00 39.48 39.62 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 1.50 -0.64 0.05 1.37 0.00 -1.26 -4.92 105.19 101.29 3i1k n GLY 270 Ca 0.06 0.36 -0.04 0.00 0.00 0.00 0.00 46.02 46.41 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 1.69 -4.39 1.61 3.00 -1.26 -1.62 118.16 117.20 3i1k n LYS 271 Ca 0.00 -0.03 -0.25 0.00 -0.00 0.00 0.00 58.31 58.03 3i1k n LYS 271 Cb 0.00 -1.31 -0.13 0.00 0.00 0.00 0.00 35.03 33.59 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 -2.42 1.88 -0.04 5.64 0.40 -1.26 -1.01 117.98 121.17 3i1k s PHE 272 Ca -0.06 -0.40 -0.14 0.00 -0.60 0.00 0.00 56.93 55.73 3i1k s PHE 272 Cb 0.05 -1.05 0.03 0.00 0.51 0.00 0.00 43.02 42.55 3i1k s PHE 272 CO 0.51 0.20 0.31 -1.17 0.70 0.00 0.00 175.22 175.78 3i1k s LEU 273 N -1.77 0.83 0.12 -0.37 0.20 -0.68 -4.32 118.68 112.69 3i1k s LEU 273 Ca 0.08 0.24 0.09 0.00 0.69 0.00 0.00 54.13 55.22 3i1k s LEU 273 Cb -0.10 1.23 -0.04 0.00 -0.43 0.00 0.00 46.19 46.86 3i1k s LEU 273 CO 0.04 -0.36 -0.21 0.27 -0.29 0.00 0.00 176.35 175.80 3i1k s ILE 274 N -0.93 1.80 -0.01 6.68 -4.36 -1.26 0.23 121.20 123.34 3i1k s ILE 274 Ca -0.10 -1.65 -0.02 0.00 -0.26 0.00 0.00 60.65 58.62 3i1k s ILE 274 Cb -0.05 -1.67 -0.00 0.00 1.25 0.00 0.00 42.46 42.00 3i1k s ILE 274 CO 0.03 -0.10 0.04 -0.72 0.24 0.00 0.00 174.94 174.42 3i1k s TYR 275 N -1.36 0.01 0.34 1.37 -0.85 -0.85 -4.79 117.35 111.23 3i1k s TYR 275 Ca 0.09 -0.02 -0.26 0.00 -0.52 0.00 0.00 57.07 56.37 3i1k s TYR 275 Cb -0.09 -0.03 -0.10 0.00 0.38 0.00 0.00 41.96 42.13 3i1k s TYR 275 CO 0.05 -0.07 0.97 -1.25 -1.52 0.00 0.00 175.55 173.73 3i1k s PRO 276 N -0.33 4.49 -0.00 -3.49 0.04 -1.26 -0.89 135.00 133.55 3i1k s PRO 276 Ca -0.04 1.37 0.06 0.00 0.04 0.00 0.00 61.00 62.43 3i1k s PRO 276 Cb -0.03 -2.73 -0.07 0.00 0.04 0.00 0.00 34.50 31.71 3i1k s PRO 276 CO -0.00 0.18 0.26 0.25 0.04 0.00 0.00 177.00 177.73 3i1k n THR 277 N 0.40 0.00 -3.77 1.26 -2.24 -1.26 -4.90 114.28 103.77 3i1k n THR 277 Ca 0.03 -0.34 -0.12 0.00 -2.27 0.00 0.00 64.05 61.34 3i1k n THR 277 Cb 0.50 0.97 -0.08 0.00 -2.10 0.00 0.00 70.33 69.62 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 -1.64 0.73 0.10 -0.78 1.02 -1.26 -0.91 119.74 117.01 3i1k s LYS 278 Ca 0.02 -0.37 -0.04 0.00 0.02 0.00 0.00 55.97 55.60 3i1k s LYS 278 Cb 0.05 0.32 -0.03 0.00 -0.52 0.00 0.00 37.83 37.65 3i1k s LYS 278 CO 0.26 -0.22 0.10 -1.54 -0.92 0.00 0.00 175.35 173.03 3i1k s SER 279 N -1.72 0.27 -0.37 2.83 1.04 -0.88 -4.71 113.70 110.16 3i1k s SER 279 Ca -0.09 -0.97 -0.19 0.00 0.48 0.00 0.00 55.95 55.18 3i1k s SER 279 Cb -0.03 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.40 3i1k s SER 279 CO 0.00 -0.72 0.54 -0.31 0.98 0.00 0.00 173.24 173.73 3i1k s TYR 280 N -3.96 3.16 -0.03 5.02 1.51 -0.73 -0.96 117.35 121.36 3i1k s TYR 280 Ca 0.14 0.11 -0.25 0.00 -1.01 0.00 0.00 57.07 56.05 3i1k s TYR 280 Cb 0.06 -3.01 -0.04 0.00 -0.11 0.00 0.00 41.96 38.86 3i1k s TYR 280 CO -0.05 -0.62 0.79 0.00 -1.11 0.00 0.00 175.55 174.56 3i1k s MET 282 N 0.73 0.19 0.20 0.00 -1.94 -0.29 -1.04 119.30 117.15 3i1k s MET 282 Ca 0.42 -0.24 0.01 0.00 -1.71 0.00 0.00 55.69 54.16 3i1k s MET 282 Cb -0.19 -0.07 0.04 0.00 2.01 0.00 0.00 34.83 36.62 3i1k s MET 282 CO 0.22 0.01 0.27 -0.40 -0.01 0.00 0.00 175.02 175.11 3i1k n ASP 283 N 2.57 0.43 -4.02 3.03 5.68 -1.12 -0.84 116.55 122.28 3i1k n ASP 283 Ca -0.16 -1.35 -0.26 0.00 -0.50 0.00 0.00 54.79 52.52 3i1k n ASP 283 Cb 0.58 -0.17 -0.17 0.00 -1.14 0.00 0.00 41.12 40.23 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 -0.53 1.23 0.16 2.12 2.01 -1.26 -4.05 115.64 115.31 3i1k s THR 284 Ca 0.18 -0.51 0.05 0.00 0.31 0.00 0.00 61.69 61.73 3i1k s THR 284 Cb -0.01 -1.14 -0.04 0.00 0.01 0.00 0.00 72.50 71.32 3i1k s THR 284 CO 0.12 0.38 0.09 0.00 -0.69 0.00 0.00 174.62 174.52 3i1k s MET 285 N 0.85 2.75 0.31 4.92 0.23 -0.26 -4.81 119.30 123.28 3i1k s MET 285 Ca -0.11 -0.92 0.23 0.00 -1.03 0.00 0.00 55.69 53.86 3i1k s MET 285 Cb -0.15 -2.57 0.18 0.00 -1.53 0.00 0.00 34.83 30.76 3i1k s MET 285 CO 0.01 0.49 1.32 -0.91 -2.03 0.00 0.00 175.02 173.90 3i1k h ASN 286 N 2.60 0.00 -3.64 -1.18 4.21 -1.99 -3.42 115.58 112.16 3i1k h ASN 286 Ca -0.47 -0.01 -0.70 0.00 1.21 0.00 0.00 56.30 56.33 3i1k h ASN 286 Cb 1.20 0.00 -0.27 0.00 -1.12 0.00 0.00 38.32 38.13 3i1k h ASN 286 CO 0.62 0.00 -0.58 -0.47 -1.29 0.00 0.00 177.43 175.71 3i1k s TYR 287 N -3.28 3.23 0.16 1.19 6.14 -1.26 -5.08 117.35 118.45 3i1k s TYR 287 Ca 0.03 -1.20 -0.32 0.00 0.64 0.00 0.00 57.07 56.22 3i1k s TYR 287 Cb 0.08 -2.32 -0.12 0.00 0.42 0.00 0.00 41.96 40.02 3i1k s TYR 287 CO 0.73 -0.68 1.75 2.41 0.64 0.00 0.00 175.55 180.40 3i1k n THR 288 N 4.88 0.16 -4.27 4.34 -1.04 -1.26 -4.93 114.28 112.15 3i1k n THR 288 Ca -0.13 -0.03 -0.27 0.00 -2.04 0.00 0.00 64.05 61.58 3i1k n THR 288 Cb 0.46 -1.95 -0.17 0.00 -1.82 0.00 0.00 70.33 66.85 3i1k n THR 288 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3i1k s VAL 289 N 1.81 1.30 0.45 12.58 1.01 -0.37 -5.03 120.40 132.15 3i1k s VAL 289 Ca 0.79 -0.51 -0.25 0.00 0.00 0.00 0.00 61.98 62.01 3i1k s VAL 289 Cb -0.54 -1.22 -0.08 0.00 0.00 0.00 0.00 36.38 34.55 3i1k s VAL 289 CO 0.36 0.40 1.38 -2.16 0.00 0.00 0.00 175.10 175.08 3i1k s PRO 290 N 1.19 3.68 0.72 2.72 0.04 -1.26 -4.41 135.00 137.68 3i1k s PRO 290 Ca -0.03 2.31 -0.08 0.00 0.04 0.00 0.00 61.00 63.23 3i1k s PRO 290 Cb -0.14 -2.61 0.06 0.00 0.04 0.00 0.00 34.50 31.84 3i1k s PRO 290 CO -0.04 -0.79 1.06 0.14 0.04 0.00 0.00 177.00 177.41 3i1k s VAL 291 N -1.24 2.37 -0.05 -0.36 -7.23 -0.83 -4.71 120.40 108.34 3i1k s VAL 291 Ca 0.62 -0.14 0.04 0.00 -1.81 0.00 0.00 61.98 60.69 3i1k s VAL 291 Cb -0.41 -3.06 0.00 0.00 0.56 0.00 0.00 36.38 33.47 3i1k s VAL 291 CO 0.53 -0.07 -0.17 -1.10 -0.31 0.00 0.00 175.10 173.98 3i1k s GLN 292 N -5.32 1.90 -0.03 4.82 -0.21 -0.28 -0.39 119.66 120.15 3i1k s GLN 292 Ca 0.60 -0.60 0.03 0.00 0.02 0.00 0.00 55.36 55.42 3i1k s GLN 292 Cb -0.11 -1.60 -0.00 0.00 1.00 0.00 0.00 33.01 32.30 3i1k s GLN 292 CO 0.46 0.19 -0.12 0.00 -2.12 0.00 0.00 175.29 173.70 3i1k s ALA 293 N 0.21 1.10 -0.14 6.09 0.00 -0.34 -0.33 121.76 128.34 3i1k s ALA 293 Ca -0.08 -0.48 -0.04 0.00 0.00 0.00 0.00 51.96 51.36 3i1k s ALA 293 Cb -0.13 -0.36 -0.03 0.00 0.00 0.00 0.00 23.12 22.59 3i1k s ALA 293 CO 0.03 0.20 -0.01 0.08 0.00 0.00 0.00 175.76 176.07 3i1k s VAL 294 N 0.05 4.15 0.05 0.00 1.01 -0.28 -1.20 120.40 124.18 3i1k s VAL 294 Ca -0.02 -0.28 -0.36 0.00 0.00 0.00 0.00 61.98 61.32 3i1k s VAL 294 Cb -0.09 -2.80 -0.16 0.00 0.00 0.00 0.00 36.38 33.33 3i1k s VAL 294 CO 0.01 0.52 1.48 1.67 0.00 0.00 0.00 175.10 178.78 3i1k n GLN 295 N 3.10 1.46 -3.99 2.72 -0.06 -0.80 -4.62 117.38 115.19 3i1k n GLN 295 Ca -0.18 0.53 -0.32 0.00 -2.00 0.00 0.00 57.00 55.03 3i1k n GLN 295 Cb 0.53 -2.22 -0.14 0.00 -4.06 0.00 0.00 30.24 24.34 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 1.20 4.79 0.22 1.69 0.15 -1.26 -4.83 113.70 115.65 3i1k s SER 296 Ca 0.85 -1.97 -0.02 0.00 0.70 0.00 0.00 55.95 55.51 3i1k s SER 296 Cb -0.89 -1.65 -0.03 0.00 -1.71 0.00 0.00 66.02 61.74 3i1k s SER 296 CO 0.47 -0.37 0.19 0.27 1.20 0.00 0.00 173.24 175.01 3i1k s ILE 297 N 0.98 0.00 0.52 6.45 -4.36 -1.26 -3.85 121.20 119.68 3i1k s ILE 297 Ca 0.06 -1.92 -0.01 0.00 -0.26 0.00 0.00 60.65 58.52 3i1k s ILE 297 Cb -0.20 -2.47 0.01 0.00 1.25 0.00 0.00 42.46 41.06 3i1k s ILE 297 CO -0.07 0.00 0.77 0.26 0.24 0.00 0.00 174.94 176.14 3i1k s TRP 298 N -4.06 3.12 1.15 1.37 0.23 -1.26 -4.98 118.94 114.51 3i1k s TRP 298 Ca 0.37 0.27 -0.12 0.00 -2.03 0.00 0.00 56.10 54.58 3i1k s TRP 298 Cb 0.06 -2.57 0.28 0.00 0.03 0.00 0.00 33.47 31.27 3i1k s TRP 298 CO 0.13 -0.65 1.04 -1.54 0.96 0.00 0.00 176.95 176.89 3i1k s SER 299 N -4.31 1.02 0.00 2.95 1.04 -1.26 -4.43 113.70 108.71 3i1k s SER 299 Ca 0.52 1.65 0.17 0.00 0.48 0.00 0.00 55.95 58.77 3i1k s SER 299 Cb -0.10 -2.39 0.82 0.00 0.10 0.00 0.00 66.02 64.45 3i1k s SER 299 CO 0.40 -4.20 1.49 -0.62 0.98 0.00 0.00 173.24 171.29 3i1k n GLU 300 N -4.92 0.20 0.00 4.02 1.02 -1.26 -2.19 120.64 117.51 3i1k n GLU 300 Ca 0.04 0.14 0.09 0.00 -0.02 0.00 0.00 57.16 57.41 3i1k n GLU 300 Cb 0.54 -1.50 0.43 0.00 -0.02 0.00 0.00 31.44 30.88 3i1k n GLU 300 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3i1k n ASN 301 N -1.31 0.00 -4.28 1.62 3.02 -1.26 -4.84 115.26 108.21 3i1k n ASN 301 Ca 0.07 0.32 -0.15 0.00 -0.03 0.00 0.00 54.58 54.79 3i1k n ASN 301 Cb 0.14 -0.42 -0.10 0.00 -0.61 0.00 0.00 39.78 38.79 3i1k n ASN 301 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3i1k s ARG 302 N -2.84 1.14 -0.15 3.52 0.52 -0.93 -5.13 118.95 115.08 3i1k s ARG 302 Ca 0.12 -1.50 -0.25 0.00 -0.52 0.00 0.00 55.73 53.58 3i1k s ARG 302 Cb 0.12 -0.72 -0.02 0.00 0.52 0.00 0.00 34.95 34.86 3i1k s ARG 302 CO 0.32 0.08 0.81 -0.65 0.02 0.00 0.00 175.30 175.88 3i1k s GLN 303 N -3.74 4.33 0.44 3.54 -1.52 -1.26 -4.85 119.66 116.60 3i1k s GLN 303 Ca 0.19 1.00 0.07 0.00 -1.95 0.00 0.00 55.36 54.67 3i1k s GLN 303 Cb 0.02 -3.55 -0.04 0.00 -0.22 0.00 0.00 33.01 29.23 3i1k s GLN 303 CO 0.03 -0.25 0.19 -1.12 -0.25 0.00 0.00 175.29 173.89 3i1k s SER 304 N 1.10 4.42 0.33 5.90 0.01 -1.26 -2.27 113.70 121.93 3i1k s SER 304 Ca 0.39 -1.15 0.03 0.00 1.31 0.00 0.00 55.95 56.52 3i1k s SER 304 Cb -0.17 -0.28 -0.05 0.00 0.21 0.00 0.00 66.02 65.73 3i1k s SER 304 CO 0.14 -0.64 0.09 1.51 0.41 0.00 0.00 173.24 174.75 3i1k s ASP 305 N -3.95 2.17 -0.41 2.44 3.84 -1.26 -4.71 116.67 114.79 3i1k s ASP 305 Ca 0.37 -1.48 0.05 0.00 -0.00 0.00 0.00 52.55 51.49 3i1k s ASP 305 Cb 0.03 0.17 0.51 0.00 -1.38 0.00 0.00 42.92 42.25 3i1k s ASP 305 CO 0.21 -0.75 1.63 -0.67 -0.00 0.00 0.00 175.17 175.59 3i1k n ASP 306 N -0.83 4.49 -0.26 2.11 2.03 -1.26 -4.74 116.55 118.09 3i1k n ASP 306 Ca -0.03 -3.76 0.07 0.00 0.52 0.00 0.00 54.79 51.60 3i1k n ASP 306 Cb 0.66 -0.70 0.32 0.00 -0.72 0.00 0.00 41.12 40.68 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 1.49 1.67 -0.27 -1.67 0.00 -1.97 -0.75 119.26 117.76 3i1k h ALA 307 Ca 0.42 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.22 3i1k h ALA 307 Cb 1.62 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 3i1k h ALA 307 CO 0.89 0.16 -0.23 0.82 0.00 0.00 0.00 179.25 180.89 3i1k h ILE 308 N 0.84 1.31 -0.55 0.00 1.08 -1.94 0.80 117.51 119.04 3i1k h ILE 308 Ca 0.39 -1.38 -0.01 0.00 -0.39 0.00 0.00 64.86 63.46 3i1k h ILE 308 Cb 0.40 1.59 -0.03 0.00 -3.07 0.00 0.00 36.82 35.71 3i1k h ILE 308 CO -0.16 0.44 0.29 1.23 -0.69 0.00 0.00 178.15 179.26 3i1k h GLY 309 N 0.38 0.82 1.95 5.37 0.00 -1.83 0.15 103.07 109.91 3i1k h GLY 309 Ca 0.05 -0.36 -0.17 0.00 0.00 0.00 0.00 47.33 46.85 3i1k h GLY 309 CO 0.06 0.35 -0.80 1.46 0.00 0.00 0.00 176.54 177.61 3i1k h GLN 310 N 0.77 0.04 0.15 4.80 4.20 -0.67 -3.34 115.11 121.06 3i1k h GLN 310 Ca 0.20 -0.05 -0.31 0.00 0.06 0.00 0.00 58.65 58.54 3i1k h GLN 310 Cb 0.04 0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.84 3i1k h GLN 310 CO -0.03 0.82 -1.53 0.00 -0.67 0.00 0.00 178.83 177.42 3i1k h ALA 311 N 1.16 0.18 -1.69 3.87 0.00 -0.35 -3.43 119.26 119.01 3i1k h ALA 311 Ca -0.02 -1.06 -0.68 0.00 0.00 0.00 0.00 54.91 53.16 3i1k h ALA 311 Cb 1.41 0.27 -0.16 0.00 0.00 0.00 0.00 17.79 19.31 3i1k h ALA 311 CO 0.11 1.05 1.10 0.00 0.00 0.00 0.00 179.25 181.50 3i1k s LYS 313 N 3.06 1.76 0.36 0.00 -0.14 -1.26 -4.45 119.74 119.08 3i1k s LYS 313 Ca 0.38 -1.09 -0.26 0.00 -1.36 0.00 0.00 55.97 53.63 3i1k s LYS 313 Cb -0.03 -1.92 -0.12 0.00 -1.68 0.00 0.00 37.83 34.08 3i1k s LYS 313 CO -0.08 0.50 1.13 0.45 -0.76 0.00 0.00 175.35 176.59 3i1k n SER 314 N 1.80 1.89 -0.87 2.83 2.88 -1.20 -2.01 113.62 118.95 3i1k n SER 314 Ca -0.17 1.13 0.12 0.00 -1.33 0.00 0.00 58.87 58.63 3i1k n SER 314 Cb 0.52 -1.40 0.13 0.00 -0.75 0.00 0.00 64.21 62.72 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 0.40 2.15 0.01 -1.46 -0.04 -1.26 -4.86 135.00 129.94 3i1k n PRO 315 Ca 0.08 -1.74 0.11 0.00 -0.04 0.00 0.00 63.50 61.90 3i1k n PRO 315 Cb 0.36 -1.46 0.01 0.00 -0.04 0.00 0.00 33.50 32.37 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 1.10 0.06 -3.76 0.54 0.18 -1.05 -4.73 117.16 109.51 3i1k n TYR 316 Ca 0.14 0.02 -0.13 0.00 1.88 0.00 0.00 57.90 59.81 3i1k n TYR 316 Cb 0.56 -0.20 -0.12 0.00 -0.38 0.00 0.00 39.34 39.21 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 0.51 4.54 -0.24 0.00 1.01 0.47 -3.27 121.20 124.21 3i1k s ILE 318 Ca -0.03 -0.46 -0.12 0.00 0.00 0.00 0.00 60.65 60.04 3i1k s ILE 318 Cb -0.04 -3.32 -0.05 0.00 0.01 0.00 0.00 42.46 39.06 3i1k s ILE 318 CO -0.03 0.06 0.23 0.12 0.00 0.00 0.00 174.94 175.32 3i1k s PHE 319 N 1.60 3.30 -0.60 3.97 5.36 -1.26 -1.20 117.98 129.15 3i1k s PHE 319 Ca 0.04 0.29 -0.09 0.00 -0.96 0.00 0.00 56.93 56.21 3i1k s PHE 319 Cb -0.17 -2.37 0.15 0.00 -0.34 0.00 0.00 43.02 40.29 3i1k s PHE 319 CO 0.06 -0.03 0.48 0.71 -1.46 0.00 0.00 175.22 174.98 3i1k s TYR 320 N 1.36 3.49 0.53 10.12 2.02 -0.34 -5.00 117.35 129.54 3i1k s TYR 320 Ca 0.10 -2.09 -0.16 0.00 -0.37 0.00 0.00 57.07 54.56 3i1k s TYR 320 Cb -0.14 -3.52 -0.07 0.00 -0.40 0.00 0.00 41.96 37.83 3i1k s TYR 320 CO 0.07 -0.96 1.00 1.21 -1.57 0.00 0.00 175.55 175.30 3i1k s ASN 321 N 2.10 6.51 0.13 2.29 3.84 -1.26 -1.90 114.94 126.65 3i1k s ASN 321 Ca 0.11 1.59 -0.30 0.00 0.21 0.00 0.00 52.86 54.48 3i1k s ASN 321 Cb -0.21 -2.51 -0.06 0.00 -0.55 0.00 0.00 41.25 37.92 3i1k s ASN 321 CO -0.03 -0.67 0.95 -0.54 -2.79 0.00 0.00 177.10 174.02 3i1k s LYS 322 N -4.12 4.72 0.00 0.43 1.02 -1.26 -4.88 119.74 115.65 3i1k s LYS 322 Ca 0.59 1.44 0.23 0.00 0.02 0.00 0.00 55.97 58.25 3i1k s LYS 322 Cb -0.11 -3.36 0.09 0.00 -0.52 0.00 0.00 37.83 33.94 3i1k s LYS 322 CO 0.33 0.28 1.14 0.25 -0.92 0.00 0.00 175.35 176.43 3i1k n THR 323 N 2.54 0.00 -4.24 2.17 -2.24 -1.26 -4.98 114.28 106.27 3i1k n THR 323 Ca 0.01 -0.18 -0.13 0.00 -2.27 0.00 0.00 64.05 61.48 3i1k n THR 323 Cb 0.49 1.02 -0.10 0.00 -2.10 0.00 0.00 70.33 69.64 3i1k n THR 323 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 3i1k s LYS 324 N -2.61 1.12 1.17 -0.78 -2.85 -1.26 -5.14 119.74 109.38 3i1k s LYS 324 Ca 0.17 -1.55 -0.13 0.00 -1.00 0.00 0.00 55.97 53.46 3i1k s LYS 324 Cb 0.18 -0.20 0.28 0.00 -2.06 0.00 0.00 37.83 36.03 3i1k s LYS 324 CO 0.63 -0.17 1.03 -1.25 0.10 0.00 0.00 175.35 175.69 3i1k s PRO 325 N -3.95 -0.93 -0.29 1.78 0.04 -1.26 -4.89 135.00 125.50 3i1k s PRO 325 Ca 0.25 0.73 -0.29 0.00 0.04 0.00 0.00 61.00 61.73 3i1k s PRO 325 Cb 0.06 -1.56 -0.00 0.00 0.04 0.00 0.00 34.50 33.04 3i1k s PRO 325 CO 0.05 -3.70 1.31 -0.47 0.04 0.00 0.00 177.00 174.22 3i1k s TYR 326 N -2.52 2.68 -0.18 0.56 5.04 -1.26 -4.93 117.35 116.73 3i1k s TYR 326 Ca 0.68 0.87 -0.03 0.00 -2.44 0.00 0.00 57.07 56.15 3i1k s TYR 326 Cb -0.24 -3.87 0.06 0.00 0.35 0.00 0.00 41.96 38.26 3i1k s TYR 326 CO 0.64 -1.74 0.05 -0.51 -1.34 0.00 0.00 175.55 172.65 3i1k s LEU 327 N 4.32 0.95 -0.52 6.97 1.43 -1.26 -4.48 118.68 126.09 3i1k s LEU 327 Ca 0.56 -0.73 0.06 0.00 -1.03 0.00 0.00 54.13 52.99 3i1k s LEU 327 Cb -0.17 -0.50 0.36 0.00 0.03 0.00 0.00 46.19 45.91 3i1k s LEU 327 CO 0.22 -0.31 0.96 0.00 0.23 0.00 0.00 176.35 177.46 3i1k n ALA 328 N 5.11 4.46 0.32 4.21 0.00 -1.26 -1.90 120.51 131.44 3i1k n ALA 328 Ca -0.08 -4.45 0.20 0.00 0.00 0.00 0.00 53.44 49.11 3i1k n ALA 328 Cb 0.48 -0.72 1.06 0.00 0.00 0.00 0.00 19.45 20.27 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 2.90 0.00 -0.16 0.00 0.13 -1.91 -1.23 132.00 131.73 3i1k h PRO 329 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 3i1k h PRO 329 Cb 0.66 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.79 3i1k h PRO 329 CO 0.78 0.01 0.00 0.09 -0.23 0.00 0.00 178.00 178.66 3i1k n ASN 330 N -3.29 2.66 -2.05 1.44 3.02 -1.26 -5.04 115.26 110.73 3i1k n ASN 330 Ca -0.03 -2.31 0.00 0.00 -0.03 0.00 0.00 54.58 52.21 3i1k n ASN 330 Cb 0.11 -0.23 0.00 0.00 -0.61 0.00 0.00 39.78 39.06 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 -0.28 -0.26 0.28 7.41 0.00 -0.47 -4.95 105.19 106.92 3i1k n GLY 331 Ca 0.10 -1.78 -0.03 0.00 0.00 0.00 0.00 46.02 44.30 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 -1.44 1.16 -2.39 4.61 0.00 -0.65 -3.47 119.26 117.08 3i1k h ALA 332 Ca 0.00 -0.25 0.18 0.00 0.00 0.00 0.00 54.91 54.84 3i1k h ALA 332 Cb 0.00 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.55 3i1k h ALA 332 CO 0.00 0.55 0.58 0.16 0.00 0.00 0.00 179.25 180.54 3i1k s ASP 333 N -6.66 -0.05 0.15 0.00 1.47 -1.24 -5.03 116.67 105.32 3i1k s ASP 333 Ca -0.09 -0.55 0.17 0.00 1.18 0.00 0.00 52.55 53.26 3i1k s ASP 333 Cb 0.15 0.47 0.76 0.00 -0.34 0.00 0.00 42.92 43.95 3i1k s ASP 333 CO 0.80 -0.91 1.52 -1.84 0.68 0.00 0.00 175.17 175.42 3i1k n GLU 334 N -0.62 0.10 -0.26 2.11 0.28 -1.26 -1.82 120.64 119.16 3i1k n GLU 334 Ca -0.04 0.43 0.08 0.00 -0.16 0.00 0.00 57.16 57.47 3i1k n GLU 334 Cb 0.60 -1.72 0.22 0.00 1.43 0.00 0.00 31.44 31.97 3i1k n GLU 334 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 3i1k n ASN 335 N -1.91 3.36 -3.43 -1.84 3.02 -1.26 -4.42 115.26 108.78 3i1k n ASN 335 Ca 0.01 -2.01 -0.18 0.00 -0.03 0.00 0.00 54.58 52.38 3i1k n ASN 335 Cb 0.14 -0.34 -0.11 0.00 -0.61 0.00 0.00 39.78 38.86 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 -1.01 -0.38 0.00 3.10 3.76 -0.75 -4.92 115.29 115.08 3i1k s HIS 336 Ca 0.34 -0.08 0.00 0.00 -0.15 0.00 0.00 55.06 55.17 3i1k s HIS 336 Cb 0.18 -0.45 0.00 0.00 1.11 0.00 0.00 32.58 33.42 3i1k s HIS 336 CO 0.23 -0.83 0.00 0.41 -0.85 0.00 0.00 174.74 173.70 3i1k n GLY 337 N 5.31 0.70 3.69 -2.22 0.00 -1.26 -2.10 105.19 109.32 3i1k n GLY 337 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.23 6.54 0.26 1.61 3.68 -1.26 -4.31 116.67 121.95 3i1k s ASP 338 Ca 0.00 2.59 -0.04 0.00 2.13 0.00 0.00 52.55 57.23 3i1k s ASP 338 Cb 0.00 -2.57 0.31 0.00 -1.45 0.00 0.00 42.92 39.22 3i1k s ASP 338 CO 0.00 -0.93 1.87 -0.33 0.13 0.00 0.00 175.17 175.92 3i1k h GLU 339 N 8.30 1.11 0.01 4.34 4.39 -1.77 -1.13 114.58 129.83 3i1k h GLU 339 Ca -0.44 -0.14 -0.00 0.00 0.34 0.00 0.00 59.36 59.12 3i1k h GLU 339 Cb 1.21 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 29.64 3i1k h GLU 339 CO 0.94 0.83 -0.00 1.49 -1.16 0.00 0.00 179.01 181.11 3i1k h GLU 340 N 1.11 -0.01 -0.33 2.33 4.81 -1.92 -1.60 114.58 118.98 3i1k h GLU 340 Ca 0.28 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.39 3i1k h GLU 340 Cb 0.06 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 3i1k h GLU 340 CO -0.04 0.26 -0.26 0.28 -0.73 0.00 0.00 179.01 178.52 3i1k h VAL 341 N -0.28 1.27 -1.00 0.32 2.07 -1.91 -0.38 116.25 116.36 3i1k h VAL 341 Ca -0.00 -1.35 0.03 0.00 0.82 0.00 0.00 66.70 66.19 3i1k h VAL 341 Cb 0.27 1.30 -0.05 0.00 -1.52 0.00 0.00 31.29 31.29 3i1k h VAL 341 CO 0.00 0.44 0.66 0.03 0.02 0.00 0.00 177.57 178.72 3i1k h ARG 342 N 0.57 1.25 -0.31 1.57 3.08 -1.17 0.16 114.38 119.52 3i1k h ARG 342 Ca 0.08 -0.08 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 3i1k h ARG 342 Cb 0.74 -0.28 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 3i1k h ARG 342 CO 0.06 0.83 -0.04 0.37 -1.07 0.00 0.00 179.97 180.12 3i1k h GLN 343 N 1.29 0.58 -0.63 0.04 4.15 -0.66 -2.57 115.11 117.32 3i1k h GLN 343 Ca 0.39 -0.21 0.03 0.00 0.77 0.00 0.00 58.65 59.63 3i1k h GLN 343 Cb -0.05 -0.04 -0.04 0.00 0.21 0.00 0.00 27.48 27.56 3i1k h GLN 343 CO -0.11 0.74 0.39 0.52 -1.93 0.00 0.00 178.83 178.45 3i1k h MET 344 N 0.36 0.75 0.00 1.69 2.86 -0.36 -2.77 114.93 117.46 3i1k h MET 344 Ca 0.08 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 3i1k h MET 344 Cb 0.51 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.00 3i1k h MET 344 CO 0.02 0.50 0.00 0.52 1.06 0.00 0.00 176.91 179.01 3i1k h MET 345 N 0.77 0.00 -0.65 1.72 2.86 -0.54 -2.20 114.93 116.89 3i1k h MET 345 Ca 0.25 0.00 0.19 0.00 -2.06 0.00 0.00 59.70 58.08 3i1k h MET 345 Cb 0.01 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.64 3i1k h MET 345 CO -0.10 0.00 0.58 1.96 1.06 0.00 0.00 176.91 180.42 3i1k h GLN 346 N 0.00 0.00 0.00 1.72 1.08 -1.16 -2.02 115.11 114.73 3i1k h GLN 346 Ca 0.00 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 3i1k h GLN 346 Cb 0.37 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.80 3i1k h GLN 346 CO 0.00 0.00 -0.05 0.78 -0.95 0.00 0.00 178.83 178.61 3i1k h GLY 347 N 0.00 0.00 2.00 3.46 0.00 -1.57 -2.15 103.07 104.81 3i1k h GLY 347 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.64 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 -4.08 0.05 -0.00 3.11 4.77 -0.76 -2.97 117.00 117.12 3i1k n LEU 348 Ca -0.03 0.51 0.14 0.00 -0.03 0.00 0.00 56.01 56.60 3i1k n LEU 348 Cb 0.14 -0.50 0.63 0.00 -2.33 0.00 0.00 43.42 41.36 3i1k n LEU 348 CO 0.31 -0.19 0.95 0.18 -1.33 0.00 0.00 177.39 177.31 3i1k n LEU 349 N -1.55 0.02 -4.71 2.23 4.77 -0.81 -4.87 117.00 112.08 3i1k n LEU 349 Ca 0.04 0.45 -0.23 0.00 -0.03 0.00 0.00 56.01 56.25 3i1k n LEU 349 Cb 0.23 -0.46 -0.06 0.00 -2.33 0.00 0.00 43.42 40.80 3i1k n LEU 349 CO 0.18 0.00 -0.27 0.68 -1.33 0.00 0.00 177.39 176.65 3i1k s VAL 350 N -2.93 3.80 -0.59 4.08 -7.23 -1.16 -5.07 120.40 111.30 3i1k s VAL 350 Ca 0.16 -1.73 -0.20 0.00 -1.81 0.00 0.00 61.98 58.41 3i1k s VAL 350 Cb 0.19 -3.04 0.09 0.00 0.56 0.00 0.00 36.38 34.19 3i1k s VAL 350 CO 0.52 -0.36 0.73 0.20 -0.31 0.00 0.00 175.10 175.89 3i1k s ASN 351 N -3.71 6.19 0.62 4.85 0.01 -1.26 -4.59 114.94 117.05 3i1k s ASN 351 Ca 0.32 -1.28 -0.03 0.00 -0.71 0.00 0.00 52.86 51.17 3i1k s ASN 351 Cb -0.07 -2.32 0.05 0.00 0.41 0.00 0.00 41.25 39.32 3i1k s ASN 351 CO 0.22 -1.13 0.89 -0.44 -1.51 0.00 0.00 177.10 175.12 3i1k s SER 352 N 3.49 5.08 -0.03 -1.22 0.01 -0.78 -4.80 113.70 115.44 3i1k s SER 352 Ca 0.14 0.23 0.11 0.00 1.31 0.00 0.00 55.95 57.73 3i1k s SER 352 Cb -0.22 -1.01 -0.16 0.00 0.21 0.00 0.00 66.02 64.83 3i1k s SER 352 CO 0.08 -1.35 0.21 -0.24 0.41 0.00 0.00 173.24 172.35 3i1k n SER 353 N -2.62 2.51 -3.82 2.44 2.88 0.12 -4.26 113.62 110.87 3i1k n SER 353 Ca 0.08 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.47 3i1k n SER 353 Cb 0.60 1.39 -0.15 0.00 -0.75 0.00 0.00 64.21 65.29 3i1k n SER 353 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3i1k s VAL 355 N 0.70 1.76 0.34 0.00 1.01 -0.83 -1.72 120.40 121.66 3i1k s VAL 355 Ca -0.06 -0.82 -0.09 0.00 0.00 0.00 0.00 61.98 61.00 3i1k s VAL 355 Cb -0.09 -1.56 0.02 0.00 0.00 0.00 0.00 36.38 34.75 3i1k s VAL 355 CO -0.02 0.49 0.59 -0.94 0.00 0.00 0.00 175.10 175.22 3i1k s SER 356 N 0.66 0.41 0.55 3.32 1.04 -0.77 -1.39 113.70 117.52 3i1k s SER 356 Ca -0.13 -1.25 0.29 0.00 0.48 0.00 0.00 55.95 55.35 3i1k s SER 356 Cb -0.16 0.72 1.62 0.00 0.10 0.00 0.00 66.02 68.29 3i1k s SER 356 CO 0.03 -1.40 2.14 -0.65 0.98 0.00 0.00 173.24 174.34 3i1k h PRO 357 N 2.09 0.00 0.00 4.02 0.11 -1.78 -1.52 132.00 134.92 3i1k h PRO 357 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 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 0.38 0.07 -0.34 1.96 -0.21 0.00 0.00 178.00 179.86 3i1k h GLN 358 N 0.00 0.00 0.00 1.05 7.50 -1.92 -3.47 115.11 118.27 3i1k h GLN 358 Ca -0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 3i1k h GLN 358 Cb 0.22 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.75 3i1k h GLN 358 CO 0.01 0.00 0.00 0.41 -1.50 0.00 0.00 178.83 177.75 3i1k n GLY 359 N 1.25 0.52 3.85 3.46 0.00 -0.57 -3.86 105.19 109.83 3i1k n GLY 359 Ca 0.04 -2.26 -0.27 0.00 0.00 0.00 0.00 46.02 43.53 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 5.82 0.03 1.61 1.04 -0.82 -1.85 113.70 115.53 3i1k s SER 360 Ca 0.00 -0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.42 3i1k s SER 360 Cb 0.00 -1.62 -0.02 0.00 0.10 0.00 0.00 66.02 64.48 3i1k s SER 360 CO 0.00 0.07 -0.04 0.42 0.98 0.00 0.00 173.24 174.68 3i1k s THR 361 N -1.72 0.18 0.70 2.02 -4.23 -0.70 -0.91 115.64 110.99 3i1k s THR 361 Ca 0.32 -0.99 -0.12 0.00 -1.18 0.00 0.00 61.69 59.72 3i1k s THR 361 Cb -0.11 -0.39 0.17 0.00 1.34 0.00 0.00 72.50 73.51 3i1k s THR 361 CO 0.25 -0.52 0.83 -0.81 -0.54 0.00 0.00 174.62 173.83 3i1k n PRO 362 N 1.48 -1.39 -2.23 3.99 -0.04 -1.26 0.16 135.00 135.71 3i1k n PRO 362 Ca -0.23 -1.29 -0.42 0.00 -0.04 0.00 0.00 63.50 61.52 3i1k n PRO 362 Cb 0.55 -0.97 -0.03 0.00 -0.04 0.00 0.00 33.50 33.02 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 4.32 0.04 1.53 2.96 -1.26 -4.52 118.68 121.75 3i1k s LEU 363 Ca 0.49 2.13 -0.25 0.00 -0.22 0.00 0.00 54.13 56.27 3i1k s LEU 363 Cb -0.02 -3.56 0.06 0.00 0.50 0.00 0.00 46.19 43.16 3i1k s LEU 363 CO 0.35 -0.70 0.59 0.00 -1.32 0.00 0.00 176.35 175.28 3i1k s ALA 364 N 2.18 -1.54 0.04 5.97 0.00 -1.26 -5.06 121.76 122.09 3i1k s ALA 364 Ca 0.63 0.83 -0.23 0.00 0.00 0.00 0.00 51.96 53.19 3i1k s ALA 364 Cb -0.32 0.36 -0.15 0.00 0.00 0.00 0.00 23.12 23.01 3i1k s ALA 364 CO 0.27 -0.51 1.46 -0.07 0.00 0.00 0.00 175.76 176.90 3i1k h LEU 365 N 2.69 0.16 -8.48 0.00 4.07 -1.94 -3.34 115.31 108.47 3i1k h LEU 365 Ca -0.30 -0.32 -0.50 0.00 0.08 0.00 0.00 57.88 56.84 3i1k h LEU 365 Cb 1.21 -0.04 -0.24 0.00 1.08 0.00 0.00 40.66 42.67 3i1k h LEU 365 CO 0.40 0.44 -0.81 -0.31 -1.08 0.00 0.00 178.44 177.08 3i1k s TYR 366 N -4.93 1.50 0.02 1.13 4.12 -1.26 -1.91 117.35 116.03 3i1k s TYR 366 Ca -0.14 -0.40 0.05 0.00 0.02 0.00 0.00 57.07 56.60 3i1k s TYR 366 Cb 0.05 -0.87 -0.03 0.00 -1.52 0.00 0.00 41.96 39.59 3i1k s TYR 366 CO 0.70 0.10 -0.13 0.45 0.02 0.00 0.00 175.55 176.68 3i1k s SER 367 N -1.46 4.15 0.14 2.29 0.15 0.52 -1.10 113.70 118.38 3i1k s SER 367 Ca 0.03 -0.30 0.20 0.00 0.70 0.00 0.00 55.95 56.58 3i1k s SER 367 Cb -0.09 -0.81 0.82 0.00 -1.71 0.00 0.00 66.02 64.23 3i1k s SER 367 CO 0.02 0.27 1.61 -1.54 1.20 0.00 0.00 173.24 174.80 3i1k n SER 368 N 1.57 0.36 -3.94 5.45 3.41 -0.17 -1.54 113.62 118.75 3i1k n SER 368 Ca -0.16 0.59 -0.10 0.00 -0.26 0.00 0.00 58.87 58.94 3i1k n SER 368 Cb 0.52 -0.66 -0.06 0.00 -0.26 0.00 0.00 64.21 63.75 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 -3.16 1.31 0.07 4.33 -1.05 -1.26 -4.91 118.70 114.03 3i1k s GLU 369 Ca 0.06 -1.16 -0.30 0.00 -0.15 0.00 0.00 54.97 53.42 3i1k s GLU 369 Cb 0.10 0.42 -0.05 0.00 -0.44 0.00 0.00 34.13 34.16 3i1k s GLU 369 CO 0.35 -0.51 1.07 1.41 0.95 0.00 0.00 175.26 178.53 3i1k s MET 370 N -3.97 4.55 -0.24 -4.83 -2.45 -1.26 -4.55 119.30 106.54 3i1k s MET 370 Ca 0.18 1.60 -0.13 0.00 -1.25 0.00 0.00 55.69 56.09 3i1k s MET 370 Cb 0.02 -3.37 -0.04 0.00 1.25 0.00 0.00 34.83 32.68 3i1k s MET 370 CO 0.02 -0.05 0.29 0.42 1.05 0.00 0.00 175.02 176.76 3i1k s ILE 371 N 0.61 5.26 0.49 10.11 -1.09 -1.26 -4.95 121.20 130.37 3i1k s ILE 371 Ca 0.53 0.45 0.06 0.00 -2.23 0.00 0.00 60.65 59.46 3i1k s ILE 371 Cb -0.26 -3.63 0.06 0.00 -1.58 0.00 0.00 42.46 37.06 3i1k s ILE 371 CO 0.30 0.26 0.52 -1.22 -1.23 0.00 0.00 174.94 173.57 3i1k n TYR 372 N 4.69 -1.53 -3.97 3.97 4.01 -1.26 -5.06 117.16 118.01 3i1k n TYR 372 Ca -0.11 -1.93 -0.25 0.00 -0.16 0.00 0.00 57.90 55.45 3i1k n TYR 372 Cb 0.51 -0.43 -0.03 0.00 -0.31 0.00 0.00 39.34 39.08 3i1k n TYR 372 CO 0.00 0.00 0.00 0.96 -0.46 0.00 0.00 176.86 177.36 3i1k s ILE 373 N -2.25 5.21 0.15 -0.72 -4.36 -1.26 -4.04 121.20 113.93 3i1k s ILE 373 Ca 0.40 -0.83 -0.30 0.00 -0.26 0.00 0.00 60.65 59.66 3i1k s ILE 373 Cb -0.03 -3.73 -0.07 0.00 1.25 0.00 0.00 42.46 39.88 3i1k s ILE 373 CO 0.25 -0.17 1.18 -2.84 0.24 0.00 0.00 174.94 173.61 3i1k s PRO 374 N -3.45 4.49 0.18 0.37 0.02 -1.26 -4.88 135.00 130.47 3i1k s PRO 374 Ca 0.34 1.82 -0.02 0.00 0.02 0.00 0.00 61.00 63.16 3i1k s PRO 374 Cb -0.10 -3.27 -0.04 0.00 0.02 0.00 0.00 34.50 31.11 3i1k s PRO 374 CO 0.28 -0.10 0.13 0.54 -0.33 0.00 0.00 177.00 177.53 3i1k s ASN 375 N 0.31 0.17 0.24 2.53 2.20 -1.26 -3.62 114.94 115.52 3i1k s ASN 375 Ca 0.54 -1.30 -0.15 0.00 -0.94 0.00 0.00 52.86 51.01 3i1k s ASN 375 Cb -0.31 0.37 0.01 0.00 -2.00 0.00 0.00 41.25 39.31 3i1k s ASN 375 CO 0.34 -0.83 0.53 -0.72 -2.94 0.00 0.00 177.10 173.49 3i1k s TYR 376 N -4.12 0.18 0.00 1.54 -0.85 -0.48 -4.97 117.35 108.65 3i1k s TYR 376 Ca 0.33 -0.56 0.00 0.00 -0.52 0.00 0.00 57.07 56.33 3i1k s TYR 376 Cb 0.07 0.32 0.00 0.00 0.38 0.00 0.00 41.96 42.73 3i1k s TYR 376 CO 0.09 -1.03 0.00 0.41 -1.52 0.00 0.00 175.55 173.50 3i1k n GLY 377 N -0.39 -1.14 3.32 5.49 0.00 -1.26 -1.96 105.19 109.25 3i1k n GLY 377 Ca -0.03 -1.55 -0.37 0.00 0.00 0.00 0.00 46.02 44.06 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 5.18 -0.12 1.61 0.15 0.19 -4.95 113.70 111.77 3i1k s SER 378 Ca 0.00 -0.86 -0.02 0.00 0.70 0.00 0.00 55.95 55.77 3i1k s SER 378 Cb 0.00 -1.87 -0.03 0.00 -1.71 0.00 0.00 66.02 62.41 3i1k s SER 378 CO 0.00 -0.24 -0.05 0.00 1.20 0.00 0.00 173.24 174.15 3i1k s PRO 380 N -0.18 2.95 0.10 0.00 0.02 -1.25 -5.01 135.00 131.63 3i1k s PRO 380 Ca 0.03 1.87 -0.02 0.00 0.02 0.00 0.00 61.00 62.90 3i1k s PRO 380 Cb -0.13 -1.95 -0.05 0.00 0.02 0.00 0.00 34.50 32.40 3i1k s PRO 380 CO 0.03 -1.23 0.29 -0.65 -0.33 0.00 0.00 177.00 175.11 3i1k s GLN 381 N -3.30 3.52 0.02 5.54 -0.21 -0.81 -4.50 119.66 119.94 3i1k s GLN 381 Ca 0.77 -0.28 -0.30 0.00 0.02 0.00 0.00 55.36 55.58 3i1k s GLN 381 Cb -0.32 -2.94 -0.09 0.00 1.00 0.00 0.00 33.01 30.66 3i1k s GLN 381 CO 0.34 0.54 1.98 -0.47 -2.12 0.00 0.00 175.29 175.56 3i1k s TYR 382 N -1.59 1.28 0.40 0.91 6.04 -1.26 -0.36 117.35 122.77 3i1k s TYR 382 Ca 0.38 -0.41 0.17 0.00 0.04 0.00 0.00 57.07 57.25 3i1k s TYR 382 Cb -0.12 -4.23 1.07 0.00 -1.04 0.00 0.00 41.96 37.64 3i1k s TYR 382 CO 0.26 -5.50 1.82 0.10 -1.54 0.00 0.00 175.55 170.69 3i1k h TYR 383 N 10.82 0.61 0.00 4.97 -0.00 -1.61 -2.55 116.97 129.22 3i1k h TYR 383 Ca -0.49 0.02 -0.02 0.00 -0.00 0.00 0.00 58.73 58.24 3i1k h TYR 383 Cb 1.24 -0.18 -0.00 0.00 -0.00 0.00 0.00 36.73 37.78 3i1k h TYR 383 CO 0.96 0.12 -0.11 -0.22 -0.00 0.00 0.00 178.16 178.91 3i1k h LYS 384 N 0.42 0.00 0.00 0.10 3.64 -1.89 -2.07 116.57 116.77 3i1k h LYS 384 Ca 0.53 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.91 3i1k h LYS 384 Cb 1.30 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.12 3i1k h LYS 384 CO -0.23 0.11 0.00 1.28 -2.27 0.00 0.00 179.45 178.34 3i1k n LEU 385 N -3.92 0.56 -0.52 5.20 4.77 -0.96 -5.28 117.00 116.84 3i1k n LEU 385 Ca -0.02 0.58 0.07 0.00 -0.03 0.00 0.00 56.01 56.60 3i1k n LEU 385 Cb 0.20 -0.44 0.05 0.00 -2.33 0.00 0.00 43.42 40.91 3i1k n LEU 385 CO 0.31 -0.26 0.46 0.49 -1.33 0.00 0.00 177.39 177.06