#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 4.05 0.21 1.64 0.02 -1.26 -4.86 135.00 134.80 3i1k s PRO 26 Ca 0.00 2.07 -0.05 0.00 0.02 0.00 0.00 61.00 63.04 3i1k s PRO 26 Cb 0.00 -2.78 -0.06 0.00 0.02 0.00 0.00 34.50 31.68 3i1k s PRO 26 CO 0.00 -0.39 0.47 -1.50 -0.33 0.00 0.00 177.00 175.24 3i1k s ILE 27 N -1.28 5.08 -0.22 2.83 1.10 -0.15 -4.60 121.20 123.96 3i1k s ILE 27 Ca 0.56 0.08 -0.05 0.00 -0.51 0.00 0.00 60.65 60.73 3i1k s ILE 27 Cb -0.36 -3.67 -0.02 0.00 0.15 0.00 0.00 42.46 38.56 3i1k s ILE 27 CO 0.46 -0.12 -0.01 -0.89 -2.11 0.00 0.00 174.94 172.27 3i1k s THR 28 N -1.85 3.68 0.36 4.00 2.01 -1.26 -0.40 115.64 122.19 3i1k s THR 28 Ca 0.43 -0.39 -0.28 0.00 0.31 0.00 0.00 61.69 61.76 3i1k s THR 28 Cb -0.11 -2.68 -0.12 0.00 0.01 0.00 0.00 72.50 69.60 3i1k s THR 28 CO 0.26 0.41 1.40 -2.65 -0.69 0.00 0.00 174.62 173.35 3i1k n PRO 29 N 4.63 2.42 -2.70 4.92 -0.02 -1.26 -4.94 135.00 138.05 3i1k n PRO 29 Ca -0.18 0.85 -0.43 0.00 -2.02 0.00 0.00 63.50 61.73 3i1k n PRO 29 Cb 0.51 -2.51 -0.03 0.00 -0.02 0.00 0.00 33.50 31.45 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 -1.11 2.82 0.05 6.00 2.46 -0.02 -4.82 115.29 120.67 3i1k s HIS 30 Ca 0.54 0.47 -0.30 0.00 0.47 0.00 0.00 55.06 56.24 3i1k s HIS 30 Cb -0.52 -4.24 -0.09 0.00 -0.13 0.00 0.00 32.58 27.60 3i1k s HIS 30 CO 0.63 -1.26 1.91 -0.47 -2.47 0.00 0.00 174.74 173.07 3i1k s TYR 31 N 4.22 1.55 0.00 3.88 6.14 -1.24 -1.75 117.35 130.14 3i1k s TYR 31 Ca 0.41 -0.30 0.00 0.00 0.64 0.00 0.00 57.07 57.82 3i1k s TYR 31 Cb -0.09 -4.20 0.00 0.00 0.42 0.00 0.00 41.96 38.09 3i1k s TYR 31 CO 0.28 -5.26 0.00 0.41 0.64 0.00 0.00 175.55 171.62 3i1k n GLY 32 N 4.43 2.57 3.63 8.97 0.00 -1.26 -4.40 105.19 119.13 3i1k n GLY 32 Ca 0.19 -1.82 -0.29 0.00 0.00 0.00 0.00 46.02 44.10 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 -1.72 0.21 0.28 1.61 0.04 -1.26 -4.01 135.00 130.14 3i1k s PRO 33 Ca 0.00 0.72 -0.20 0.00 0.04 0.00 0.00 61.00 61.56 3i1k s PRO 33 Cb 0.00 -1.70 0.05 0.00 0.04 0.00 0.00 34.50 32.89 3i1k s PRO 33 CO 0.00 -2.93 0.84 0.20 0.04 0.00 0.00 177.00 175.14 3i1k s GLY 34 N -3.14 0.06 -0.06 0.56 0.00 -1.26 -3.78 107.32 99.70 3i1k s GLY 34 Ca 0.66 -0.37 -0.06 0.00 0.00 0.00 0.00 44.72 44.94 3i1k s GLY 34 CO 0.60 0.21 0.18 -2.38 0.00 0.00 0.00 173.10 171.70 3i1k s HIS 35 N -3.02 -0.18 -0.60 1.90 -3.43 -1.26 -4.97 115.29 103.73 3i1k s HIS 35 Ca 0.14 0.43 0.22 0.00 -0.80 0.00 0.00 55.06 55.05 3i1k s HIS 35 Cb -0.04 0.06 -0.20 0.00 -1.43 0.00 0.00 32.58 30.97 3i1k s HIS 35 CO 0.07 -0.11 0.79 0.44 -2.00 0.00 0.00 174.74 173.93 3i1k n ILE 36 N 2.84 0.04 -4.18 -5.38 -5.35 -1.26 -1.50 119.36 104.57 3i1k n ILE 36 Ca -0.13 -0.22 -0.11 0.00 -0.27 0.00 0.00 62.75 62.01 3i1k n ILE 36 Cb 0.58 0.49 -0.10 0.00 -1.74 0.00 0.00 39.64 38.88 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 -3.21 0.02 -0.74 7.28 -4.23 -1.26 -4.71 115.64 108.78 3i1k s THR 37 Ca 0.02 -1.95 0.20 0.00 -1.18 0.00 0.00 61.69 58.77 3i1k s THR 37 Cb 0.15 -2.41 0.19 0.00 1.34 0.00 0.00 72.50 71.77 3i1k s THR 37 CO 0.87 -0.08 1.61 -2.65 -0.54 0.00 0.00 174.62 173.83 3i1k n PRO 38 N -0.25 0.10 -2.49 3.99 -0.02 -1.26 -4.32 135.00 130.76 3i1k n PRO 38 Ca 0.01 0.32 -0.43 0.00 -2.02 0.00 0.00 63.50 61.38 3i1k n PRO 38 Cb 0.65 -1.69 0.00 0.00 -0.02 0.00 0.00 33.50 32.44 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 -1.89 4.84 -4.03 2.55 2.03 -1.26 -4.89 116.55 113.90 3i1k n ASP 39 Ca 0.03 -2.95 -0.08 0.00 0.52 0.00 0.00 54.79 52.31 3i1k n ASP 39 Cb 0.22 -1.64 -0.10 0.00 -0.72 0.00 0.00 41.12 38.87 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 2.71 0.39 0.19 -0.67 1.48 -1.26 -2.21 118.94 119.56 3i1k s TRP 40 Ca 0.47 -0.81 -0.09 0.00 -1.06 0.00 0.00 56.10 54.61 3i1k s TRP 40 Cb 0.05 -0.29 -0.01 0.00 -1.16 0.00 0.00 33.47 32.06 3i1k s TRP 40 CO 0.01 -0.32 0.32 0.00 -4.06 0.00 0.00 176.95 172.90 3i1k s GLY 42 N -3.01 1.15 -0.04 0.00 0.00 -0.43 -1.19 107.32 103.79 3i1k s GLY 42 Ca 0.22 -1.52 0.02 0.00 0.00 0.00 0.00 44.72 43.43 3i1k s GLY 42 CO 0.04 -1.62 -0.08 -1.36 0.00 0.00 0.00 173.10 170.08 3i1k s PHE 43 N -3.20 0.99 0.00 1.90 0.08 -0.72 -0.74 117.98 116.29 3i1k s PHE 43 Ca 0.18 -0.30 0.00 0.00 0.12 0.00 0.00 56.93 56.93 3i1k s PHE 43 Cb 0.02 -0.77 0.00 0.00 -0.57 0.00 0.00 43.02 41.69 3i1k s PHE 43 CO 0.02 -0.19 0.00 0.41 -0.10 0.00 0.00 175.22 175.36 3i1k n GLY 44 N 3.78 2.58 0.00 4.36 0.00 -0.50 -0.93 105.19 114.48 3i1k n GLY 44 Ca -0.23 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.71 0.71 -0.36 1.61 3.85 -1.24 -3.20 116.55 117.21 3i1k n ASP 45 Ca 0.00 0.00 0.30 0.00 -0.71 0.00 0.00 54.79 54.38 3i1k n ASP 45 Cb 0.00 0.00 0.62 0.00 -1.35 0.00 0.00 41.12 40.39 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 2.65 0.00 2.12 0.00 -1.87 -1.01 119.26 122.15 3i1k h ALA 46 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3i1k h ALA 46 Cb 0.00 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3i1k h ALA 46 CO 0.00 -1.08 0.00 0.54 0.00 0.00 0.00 179.25 178.71 3i1k n ARG 47 N -4.48 0.53 -0.98 0.00 1.74 -1.26 -2.06 116.66 110.16 3i1k n ARG 47 Ca 0.28 0.04 0.03 0.00 -0.77 0.00 0.00 57.85 57.43 3i1k n ARG 47 Cb 1.13 -1.50 0.03 0.00 -1.02 0.00 0.00 32.46 31.10 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 -1.15 0.71 -4.14 0.55 3.41 -0.41 -0.39 113.62 112.20 3i1k n SER 48 Ca 0.14 -2.17 -0.36 0.00 -0.26 0.00 0.00 58.87 56.22 3i1k n SER 48 Cb 0.13 -0.28 -0.12 0.00 -0.26 0.00 0.00 64.21 63.69 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 -1.72 5.25 0.28 4.04 2.15 -0.87 -4.77 116.67 121.03 3i1k s ASP 49 Ca 0.21 -1.89 0.24 0.00 0.43 0.00 0.00 52.55 51.54 3i1k s ASP 49 Cb 0.23 -1.83 1.00 0.00 -0.30 0.00 0.00 42.92 42.02 3i1k s ASP 49 CO -0.09 -0.51 1.73 0.00 -0.17 0.00 0.00 175.17 176.13 3i1k n GLY 51 N 0.01 -1.10 3.76 0.00 0.00 -1.26 -4.79 105.19 101.81 3i1k n GLY 51 Ca 0.02 0.08 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.93 6.91 0.55 1.61 3.84 -0.89 -4.92 114.94 118.10 3i1k s ASN 52 Ca 0.03 2.53 0.28 0.00 0.21 0.00 0.00 52.86 55.91 3i1k s ASN 52 Cb 0.08 -2.63 1.60 0.00 -0.55 0.00 0.00 41.25 39.74 3i1k s ASN 52 CO 0.31 -0.45 2.14 0.07 -2.79 0.00 0.00 177.10 176.38 3i1k h LYS 53 N 4.00 0.00 -0.19 0.43 2.10 -1.91 -2.16 116.57 118.84 3i1k h LYS 53 Ca -0.47 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 3i1k h LYS 53 Cb 1.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.55 3i1k h LYS 53 CO 0.69 0.07 0.00 0.72 -2.00 0.00 0.00 179.45 178.93 3i1k n HIS 54 N -3.71 0.24 -1.72 0.07 8.25 -1.26 -4.92 115.22 112.17 3i1k n HIS 54 Ca -0.02 -0.12 -0.43 0.00 -0.26 0.00 0.00 57.72 56.89 3i1k n HIS 54 Cb 0.18 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.27 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 0.26 0.71 1.30 1.59 -1.04 -0.82 -0.47 114.28 115.81 3i1k n THR 55 Ca 0.15 -0.18 0.13 0.00 -2.04 0.00 0.00 64.05 62.11 3i1k n THR 55 Cb 0.29 -1.87 0.39 0.00 -1.82 0.00 0.00 70.33 67.33 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 2.63 1.14 0.17 -2.82 -0.04 -1.26 -4.90 135.00 129.91 3i1k n PRO 56 Ca 0.11 -0.69 0.05 0.00 -0.04 0.00 0.00 63.50 62.93 3i1k n PRO 56 Cb 0.35 -1.49 0.51 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 1.69 0.17 -0.00 0.54 1.57 -1.12 -1.94 116.57 117.48 3i1k h LYS 57 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3i1k h LYS 57 Cb 0.53 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.81 3i1k h LYS 57 CO 0.00 0.19 -0.01 -1.13 -0.57 0.00 0.00 179.45 177.93 3i1k n SER 58 N -4.43 0.26 -4.83 0.86 3.41 -0.95 -2.35 113.62 105.60 3i1k n SER 58 Ca -0.01 -0.88 -0.35 0.00 -0.26 0.00 0.00 58.87 57.38 3i1k n SER 58 Cb 0.15 -0.05 -0.06 0.00 -0.26 0.00 0.00 64.21 63.98 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 -2.15 4.21 0.00 1.04 1.43 -0.73 -4.20 118.68 118.28 3i1k s LEU 59 Ca 0.41 1.42 0.14 0.00 -1.03 0.00 0.00 54.13 55.07 3i1k s LEU 59 Cb 0.21 -3.88 -0.14 0.00 0.03 0.00 0.00 46.19 42.41 3i1k s LEU 59 CO 0.39 -0.10 0.60 0.47 0.23 0.00 0.00 176.35 177.95 3i1k n ASP 60 N 0.19 0.72 -4.76 2.29 8.00 0.48 -4.25 116.55 119.22 3i1k n ASP 60 Ca 0.01 -0.86 -0.22 0.00 0.71 0.00 0.00 54.79 54.43 3i1k n ASP 60 Cb 0.52 0.96 -0.05 0.00 -0.02 0.00 0.00 41.12 42.52 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 -2.26 3.85 0.46 0.53 -4.36 -1.21 -3.66 121.20 114.55 3i1k s ILE 61 Ca 0.06 -1.60 -0.24 0.00 -0.26 0.00 0.00 60.65 58.61 3i1k s ILE 61 Cb 0.11 -3.15 -0.07 0.00 1.25 0.00 0.00 42.46 40.60 3i1k s ILE 61 CO 0.55 -0.32 1.31 -2.84 0.24 0.00 0.00 174.94 173.89 3i1k s PRO 62 N -3.81 3.64 0.25 0.37 0.02 -1.26 -4.92 135.00 129.29 3i1k s PRO 62 Ca 0.34 2.15 -0.04 0.00 0.02 0.00 0.00 61.00 63.46 3i1k s PRO 62 Cb -0.06 -2.53 0.28 0.00 0.02 0.00 0.00 34.50 32.21 3i1k s PRO 62 CO 0.23 -0.76 1.78 0.37 -0.33 0.00 0.00 177.00 178.29 3i1k h GLN 63 N 2.14 0.95 -0.08 5.54 4.15 -1.99 -1.62 115.11 124.20 3i1k h GLN 63 Ca -0.50 -0.21 0.02 0.00 0.77 0.00 0.00 58.65 58.73 3i1k h GLN 63 Cb 1.27 -0.13 -0.00 0.00 0.21 0.00 0.00 27.48 28.82 3i1k h GLN 63 CO 0.60 0.86 0.17 1.05 -1.93 0.00 0.00 178.83 179.58 3i1k h GLU 64 N 0.91 0.00 -0.01 1.69 9.09 -2.05 -1.93 114.58 122.28 3i1k h GLU 64 Ca 0.19 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.60 3i1k h GLU 64 Cb 0.34 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.44 3i1k h GLU 64 CO 0.00 0.00 -0.26 1.28 0.05 0.00 0.00 179.01 180.08 3i1k n LEU 65 N -3.40 0.81 -0.30 3.06 4.77 -0.61 -4.36 117.00 116.96 3i1k n LEU 65 Ca -0.01 -0.15 0.09 0.00 -0.03 0.00 0.00 56.01 55.92 3i1k n LEU 65 Cb 0.26 -0.16 0.26 0.00 -2.33 0.00 0.00 43.42 41.44 3i1k n LEU 65 CO 0.22 0.16 1.08 0.00 -1.33 0.00 0.00 177.39 177.52 3i1k n PRO 67 N -4.93 0.10 0.03 0.00 -0.02 -1.26 -1.18 135.00 127.73 3i1k n PRO 67 Ca 0.19 0.59 0.12 0.00 -2.02 0.00 0.00 63.50 62.38 3i1k n PRO 67 Cb 0.52 -1.81 0.22 0.00 -0.02 0.00 0.00 33.50 32.40 3i1k n PRO 67 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3i1k n LYS 68 N -2.01 0.16 -4.18 -0.52 4.76 -0.17 -4.92 118.16 111.28 3i1k n LYS 68 Ca -0.01 0.04 -0.33 0.00 -2.87 0.00 0.00 58.31 55.14 3i1k n LYS 68 Cb 0.03 -1.60 -0.08 0.00 -1.84 0.00 0.00 35.03 31.55 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 -3.09 3.23 -0.43 2.13 0.40 -0.33 -1.32 117.98 118.57 3i1k s PHE 69 Ca 0.08 0.19 -0.12 0.00 -0.60 0.00 0.00 56.93 56.49 3i1k s PHE 69 Cb 0.15 -1.74 0.07 0.00 0.51 0.00 0.00 43.02 42.01 3i1k s PHE 69 CO 0.71 0.53 0.30 0.45 0.70 0.00 0.00 175.22 177.90 3i1k s SER 70 N -1.51 5.85 -0.06 1.36 0.15 0.08 -4.93 113.70 114.64 3i1k s SER 70 Ca 0.20 -1.34 -0.08 0.00 0.70 0.00 0.00 55.95 55.42 3i1k s SER 70 Cb -0.12 -2.07 0.02 0.00 -1.71 0.00 0.00 66.02 62.14 3i1k s SER 70 CO 0.11 -0.55 0.21 -0.44 1.20 0.00 0.00 173.24 173.77 3i1k s SER 71 N 2.18 -0.17 -0.06 5.45 0.01 -1.26 -1.42 113.70 118.44 3i1k s SER 71 Ca 0.03 0.27 -0.03 0.00 1.31 0.00 0.00 55.95 57.53 3i1k s SER 71 Cb -0.23 0.38 0.03 0.00 0.21 0.00 0.00 66.02 66.42 3i1k s SER 71 CO 0.05 -0.18 0.13 -0.60 0.41 0.00 0.00 173.24 173.05 3i1k s ARG 72 N -0.36 0.09 0.01 12.44 3.52 -1.19 -4.83 118.95 128.63 3i1k s ARG 72 Ca -0.05 0.31 -0.38 0.00 -0.13 0.00 0.00 55.73 55.49 3i1k s ARG 72 Cb -0.03 -0.13 -0.17 0.00 -1.56 0.00 0.00 34.95 33.06 3i1k s ARG 72 CO 0.01 -0.13 1.39 2.41 -0.81 0.00 0.00 175.30 178.17 3i1k n THR 73 N 3.96 0.05 0.00 4.11 -1.04 -1.26 -1.71 114.28 118.39 3i1k n THR 73 Ca -0.24 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 61.76 3i1k n THR 73 Cb 0.53 -0.82 0.00 0.00 -1.82 0.00 0.00 70.33 68.22 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 2.75 2.24 3.97 3.41 0.00 -1.26 -4.80 105.19 111.48 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 -2.63 5.22 0.12 1.61 0.15 -0.69 -4.45 113.70 113.02 3i1k s SER 75 Ca 0.00 -0.72 -0.20 0.00 0.70 0.00 0.00 55.95 55.73 3i1k s SER 75 Cb 0.00 -0.26 0.05 0.00 -1.71 0.00 0.00 66.02 64.10 3i1k s SER 75 CO 0.00 -0.92 0.50 -0.94 1.20 0.00 0.00 173.24 173.08 3i1k s SER 76 N -4.36 -0.41 0.45 5.45 1.04 -1.26 -4.60 113.70 110.02 3i1k s SER 76 Ca 0.52 -0.09 0.19 0.00 0.48 0.00 0.00 55.95 57.05 3i1k s SER 76 Cb -0.06 0.53 1.08 0.00 0.10 0.00 0.00 66.02 67.67 3i1k s SER 76 CO 0.32 -0.87 1.97 0.24 0.98 0.00 0.00 173.24 175.88 3i1k h MET 77 N 2.32 0.00 -0.22 4.02 0.00 -1.94 -1.27 114.93 117.84 3i1k h MET 77 Ca -0.33 0.00 -0.11 0.00 0.00 0.00 0.00 59.70 59.26 3i1k h MET 77 Cb 1.27 0.00 -0.00 0.00 0.00 0.00 0.00 31.60 32.86 3i1k h MET 77 CO 0.42 0.21 -0.27 0.35 0.00 0.00 0.00 176.91 177.62 3i1k h PHE 78 N 0.00 0.70 -0.26 -0.22 3.57 -1.96 -2.20 116.94 116.57 3i1k h PHE 78 Ca -0.00 -0.22 -0.00 0.00 3.53 0.00 0.00 57.97 61.27 3i1k h PHE 78 Cb 0.43 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 3i1k h PHE 78 CO 0.00 0.94 0.14 0.82 -2.23 0.00 0.00 178.31 177.98 3i1k h ILE 79 N 0.26 1.12 0.00 1.41 2.04 -1.86 -2.86 117.51 117.61 3i1k h ILE 79 Ca 0.03 -0.30 -0.03 0.00 1.00 0.00 0.00 64.86 65.56 3i1k h ILE 79 Cb 0.84 0.85 -0.00 0.00 -0.74 0.00 0.00 36.82 37.77 3i1k h ILE 79 CO 0.07 0.11 -0.13 0.28 0.00 0.00 0.00 178.15 178.48 3i1k h SER 80 N 0.31 0.00 -0.86 1.72 0.02 -1.22 -0.90 113.55 112.62 3i1k h SER 80 Ca 0.09 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.04 3i1k h SER 80 Cb 0.06 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.56 3i1k h SER 80 CO -0.01 0.13 0.53 -0.03 -1.14 0.00 0.00 176.83 176.31 3i1k h MET 81 N 0.00 1.16 0.00 3.45 1.85 -1.16 -3.38 114.93 116.86 3i1k h MET 81 Ca -0.00 -0.10 -0.20 0.00 -0.61 0.00 0.00 59.70 58.79 3i1k h MET 81 Cb 0.50 -0.25 -0.04 0.00 0.43 0.00 0.00 31.60 32.24 3i1k h MET 81 CO 0.02 0.80 -1.90 0.72 -0.40 0.00 0.00 176.91 176.15 3i1k n HIS 82 N -4.44 0.00 -4.63 1.39 8.25 -0.72 -4.62 115.22 110.45 3i1k n HIS 82 Ca 0.09 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.33 3i1k n HIS 82 Cb 0.05 -0.62 -0.15 0.00 1.12 0.00 0.00 29.99 30.39 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 -2.49 1.26 1.00 4.41 0.51 -0.42 -0.44 118.94 122.77 3i1k s TRP 83 Ca -0.07 -0.26 -0.14 0.00 -2.12 0.00 0.00 56.10 53.51 3i1k s TRP 83 Cb 0.05 -0.82 0.19 0.00 -0.81 0.00 0.00 33.47 32.08 3i1k s TRP 83 CO 0.58 -0.04 1.15 -0.80 -0.51 0.00 0.00 176.95 177.33 3i1k s ASN 84 N -0.24 2.69 0.27 2.95 0.01 -1.26 -4.59 114.94 114.78 3i1k s ASN 84 Ca 0.04 0.82 -0.31 0.00 -0.71 0.00 0.00 52.86 52.70 3i1k s ASN 84 Cb -0.06 -1.25 -0.12 0.00 0.41 0.00 0.00 41.25 40.22 3i1k s ASN 84 CO -0.00 -3.04 1.50 0.59 -1.51 0.00 0.00 177.10 174.64 3i1k n ASN 85 N -4.07 3.32 0.00 -1.22 3.02 -1.26 -4.64 115.26 110.41 3i1k n ASN 85 Ca 0.09 1.15 0.00 0.00 -0.03 0.00 0.00 54.58 55.79 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 2.14 2.41 3.11 7.41 0.00 -0.54 -4.97 105.19 114.76 3i1k n GLY 86 Ca 0.10 -2.04 -0.17 0.00 0.00 0.00 0.00 46.02 43.91 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 -2.76 0.00 1.61 7.64 -1.26 -1.34 113.62 117.51 3i1k n SER 87 Ca 0.00 -0.15 0.00 0.00 1.01 0.00 0.00 58.87 59.73 3i1k n SER 87 Cb 0.00 -2.36 0.00 0.00 -1.01 0.00 0.00 64.21 60.84 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 -0.91 0.71 3.53 0.23 0.00 -1.26 -4.85 105.19 102.64 3i1k n GLY 88 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.24 3.05 -0.45 1.61 0.40 -0.45 -5.07 117.98 114.84 3i1k s PHE 89 Ca 0.00 -0.21 -0.15 0.00 -0.60 0.00 0.00 56.93 55.97 3i1k s PHE 89 Cb 0.00 -1.94 0.05 0.00 0.51 0.00 0.00 43.02 41.64 3i1k s PHE 89 CO 0.00 0.04 0.35 -0.51 0.70 0.00 0.00 175.22 175.80 3i1k s ASP 90 N 0.21 6.10 0.24 1.36 1.01 -1.26 -1.47 116.67 122.86 3i1k s ASP 90 Ca -0.02 -1.19 -0.01 0.00 0.71 0.00 0.00 52.55 52.05 3i1k s ASP 90 Cb -0.14 -2.16 -0.04 0.00 1.01 0.00 0.00 42.92 41.59 3i1k s ASP 90 CO 0.03 -0.57 0.45 0.00 0.21 0.00 0.00 175.17 175.28 3i1k s ALA 91 N 1.64 3.77 -0.11 5.23 0.00 -1.26 -3.98 121.76 127.06 3i1k s ALA 91 Ca 0.04 -0.80 -0.09 0.00 0.00 0.00 0.00 51.96 51.12 3i1k s ALA 91 Cb -0.22 -2.07 0.03 0.00 0.00 0.00 0.00 23.12 20.86 3i1k s ALA 91 CO 0.08 0.32 0.28 0.12 0.00 0.00 0.00 175.76 176.55 3i1k s PHE 92 N -1.98 -0.32 -1.44 0.00 5.99 -1.26 -4.87 117.98 114.10 3i1k s PHE 92 Ca 0.40 0.77 -0.14 0.00 0.00 0.00 0.00 56.93 57.96 3i1k s PHE 92 Cb -0.11 0.10 0.05 0.00 0.00 0.00 0.00 43.02 43.06 3i1k s PHE 92 CO 0.30 -0.17 2.16 -0.25 -0.00 0.00 0.00 175.22 177.26 3i1k n ASP 93 N 3.19 4.03 -4.63 6.13 8.00 -1.26 -4.82 116.55 127.20 3i1k n ASP 93 Ca -0.15 -2.86 -0.44 0.00 0.71 0.00 0.00 54.79 52.05 3i1k n ASP 93 Cb 0.57 -1.66 -0.02 0.00 -0.02 0.00 0.00 41.12 39.99 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 6.30 1.65 -3.52 1.24 4.01 -1.26 -4.81 117.16 120.77 3i1k n TYR 94 Ca 0.51 0.63 -0.00 0.00 -0.16 0.00 0.00 57.90 58.88 3i1k n TYR 94 Cb 0.40 -2.32 -0.05 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 -0.37 -0.76 0.29 7.72 0.15 -1.26 -1.19 113.70 118.28 3i1k s SER 95 Ca 0.60 1.07 -0.19 0.00 0.70 0.00 0.00 55.95 58.13 3i1k s SER 95 Cb -0.67 1.76 0.02 0.00 -1.71 0.00 0.00 66.02 65.43 3i1k s SER 95 CO 0.59 -0.15 0.69 0.21 1.20 0.00 0.00 173.24 175.78 3i1k s ASN 96 N 2.37 -0.19 -0.01 5.45 3.84 -0.56 -4.73 114.94 121.11 3i1k s ASN 96 Ca -0.05 -0.73 0.00 0.00 0.21 0.00 0.00 52.86 52.29 3i1k s ASN 96 Cb -0.07 0.72 0.01 0.00 -0.55 0.00 0.00 41.25 41.36 3i1k s ASN 96 CO -0.18 -1.36 0.01 0.00 -2.79 0.00 0.00 177.10 172.78 3i1k s GLY 98 N 0.52 0.03 0.10 0.00 0.00 -0.10 -4.40 107.32 103.46 3i1k s GLY 98 Ca -0.04 2.91 -0.17 0.00 0.00 0.00 0.00 44.72 47.41 3i1k s GLY 98 CO -0.01 1.72 1.59 -2.08 0.00 0.00 0.00 173.10 174.31 3i1k h VAL 99 N 3.17 1.23 -2.92 1.40 2.07 -1.70 -3.42 116.25 116.08 3i1k h VAL 99 Ca -0.25 -0.78 -0.63 0.00 0.82 0.00 0.00 66.70 65.86 3i1k h VAL 99 Cb 1.18 1.15 -0.08 0.00 -1.52 0.00 0.00 31.29 32.03 3i1k h VAL 99 CO 0.17 0.26 -0.39 -1.61 0.02 0.00 0.00 177.57 176.01 3i1k s GLU 100 N -5.22 3.79 -0.04 1.57 2.02 -1.13 -4.81 118.70 114.89 3i1k s GLU 100 Ca -0.13 0.02 0.02 0.00 0.02 0.00 0.00 54.97 54.89 3i1k s GLU 100 Cb 0.08 -3.27 0.02 0.00 0.10 0.00 0.00 34.13 31.06 3i1k s GLU 100 CO 0.75 0.60 -0.06 0.15 0.02 0.00 0.00 175.26 176.72 3i1k s LYS 101 N -0.60 0.93 -0.21 1.61 1.02 -1.26 -1.09 119.74 120.14 3i1k s LYS 101 Ca 0.16 -0.19 -0.02 0.00 0.02 0.00 0.00 55.97 55.94 3i1k s LYS 101 Cb -0.13 -0.88 0.00 0.00 -0.52 0.00 0.00 37.83 36.30 3i1k s LYS 101 CO 0.05 -0.01 -0.10 0.08 -0.92 0.00 0.00 175.35 174.45 3i1k s VAL 102 N 0.65 2.86 -0.24 3.17 1.01 -0.33 -0.81 120.40 126.70 3i1k s VAL 102 Ca -0.10 -0.69 -0.11 0.00 0.00 0.00 0.00 61.98 61.09 3i1k s VAL 102 Cb -0.13 -2.28 -0.05 0.00 0.00 0.00 0.00 36.38 33.92 3i1k s VAL 102 CO 0.01 0.45 0.18 -0.36 0.00 0.00 0.00 175.10 175.38 3i1k s PHE 103 N 1.40 3.31 -0.45 5.22 0.08 0.57 -1.75 117.98 126.36 3i1k s PHE 103 Ca 0.05 0.24 0.06 0.00 0.12 0.00 0.00 56.93 57.41 3i1k s PHE 103 Cb -0.14 -2.30 0.22 0.00 -0.57 0.00 0.00 43.02 40.23 3i1k s PHE 103 CO -0.07 0.03 0.50 0.98 -0.10 0.00 0.00 175.22 176.57 3i1k n TYR 104 N 4.39 0.31 -3.83 0.36 9.36 -0.10 -1.35 117.16 126.30 3i1k n TYR 104 Ca -0.14 -3.63 -0.07 0.00 3.32 0.00 0.00 57.90 57.38 3i1k n TYR 104 Cb 0.52 -0.24 -0.00 0.00 -0.63 0.00 0.00 39.34 38.99 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 -1.06 1.80 0.00 2.98 4.04 -1.26 -3.72 118.70 121.48 3i1k s GLU 105 Ca 0.34 -1.08 0.00 0.00 0.04 0.00 0.00 54.97 54.28 3i1k s GLU 105 Cb 0.12 0.56 0.00 0.00 0.02 0.00 0.00 34.13 34.83 3i1k s GLU 105 CO -0.12 -0.83 0.00 0.41 -1.84 0.00 0.00 175.26 172.87 3i1k n GLY 106 N -0.51 1.36 0.24 -3.83 0.00 -1.26 -4.72 105.19 96.46 3i1k n GLY 106 Ca -0.06 -0.07 0.02 0.00 0.00 0.00 0.00 46.02 45.92 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 1.19 0.00 1.61 3.04 -1.91 -2.66 116.25 117.53 3i1k h VAL 107 Ca 0.00 -0.86 0.00 0.00 -1.01 0.00 0.00 66.70 64.83 3i1k h VAL 107 Cb 0.00 1.26 0.00 0.00 -2.01 0.00 0.00 31.29 30.54 3i1k h VAL 107 CO 0.00 0.27 0.00 0.59 -1.01 0.00 0.00 177.57 177.42 3i1k n ASN 108 N -4.25 0.00 -3.73 3.17 3.02 -1.26 -2.64 115.26 109.57 3i1k n ASN 108 Ca -0.01 0.47 -0.29 0.00 -0.03 0.00 0.00 54.58 54.71 3i1k n ASN 108 Cb 0.29 -0.47 -0.09 0.00 -0.61 0.00 0.00 39.78 38.90 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 -1.47 3.51 -4.00 3.10 7.35 -1.00 -4.94 117.46 120.01 3i1k n PHE 109 Ca 0.01 -4.13 -0.24 0.00 -0.76 0.00 0.00 57.45 52.32 3i1k n PHE 109 Cb 0.04 -0.70 -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 -1.75 4.57 0.60 -2.13 0.01 -1.08 -4.95 113.70 108.97 3i1k s SER 110 Ca 0.32 -1.06 0.29 0.00 1.31 0.00 0.00 55.95 56.81 3i1k s SER 110 Cb 0.04 -0.31 1.58 0.00 0.21 0.00 0.00 66.02 67.54 3i1k s SER 110 CO -0.08 -0.67 1.99 -0.65 0.41 0.00 0.00 173.24 174.23 3i1k h PRO 111 N 1.23 0.00 -1.09 12.44 0.11 -1.83 -0.93 132.00 141.93 3i1k h PRO 111 Ca -0.42 0.00 0.30 0.00 0.11 0.00 0.00 66.00 65.99 3i1k h PRO 111 Cb 1.27 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.28 3i1k h PRO 111 CO 0.66 0.00 0.70 1.25 -0.21 0.00 0.00 178.00 180.40 3i1k h HIS 112 N 0.00 0.63 -0.01 0.65 -0.00 -1.73 -0.05 115.15 114.64 3i1k h HIS 112 Ca 0.13 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.53 3i1k h HIS 112 Cb 0.83 -0.18 -0.00 0.00 -0.00 0.00 0.00 27.41 28.06 3i1k h HIS 112 CO 0.00 0.01 0.01 -0.09 -0.00 0.00 0.00 177.93 177.86 3i1k h ARG 113 N 0.33 0.00 -6.14 5.26 2.43 -1.48 -3.47 114.38 111.31 3i1k h ARG 113 Ca 0.64 0.00 -0.44 0.00 -0.81 0.00 0.00 59.98 59.37 3i1k h ARG 113 Cb 1.71 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 31.29 3i1k h ARG 113 CO -0.32 0.00 -0.79 0.09 -1.51 0.00 0.00 179.97 177.44 3i1k n ASN 114 N -3.71 -3.16 -4.71 -3.80 3.02 -0.03 -4.97 115.26 97.88 3i1k n ASN 114 Ca -0.03 -0.77 -0.35 0.00 -0.03 0.00 0.00 54.58 53.40 3i1k n ASN 114 Cb 0.09 -4.10 -0.09 0.00 -0.61 0.00 0.00 39.78 35.07 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 -3.47 3.32 0.00 3.10 5.04 -1.26 -5.00 117.35 119.08 3i1k s TYR 115 Ca 0.33 0.23 -0.10 0.00 -2.44 0.00 0.00 57.07 55.09 3i1k s TYR 115 Cb -0.16 -1.96 0.01 0.00 0.35 0.00 0.00 41.96 40.20 3i1k s TYR 115 CO 0.81 0.40 0.20 -0.08 -1.34 0.00 0.00 175.55 175.54 3i1k s THR 116 N -0.37 0.08 -0.19 4.34 -1.32 -1.26 -3.98 115.64 112.94 3i1k s THR 116 Ca 0.09 -0.65 -0.09 0.00 -1.21 0.00 0.00 61.69 59.83 3i1k s THR 116 Cb -0.12 -0.56 -0.08 0.00 -1.51 0.00 0.00 72.50 70.23 3i1k s THR 116 CO 0.02 -0.36 -0.24 0.00 -2.21 0.00 0.00 174.62 171.83 3i1k n TYR 118 N -3.82 0.00 -0.64 0.00 4.02 -1.26 -0.55 117.16 114.91 3i1k n TYR 118 Ca -0.37 0.00 0.09 0.00 -0.01 0.00 0.00 57.90 57.61 3i1k n TYR 118 Cb 0.76 0.00 0.33 0.00 -0.02 0.00 0.00 39.34 40.41 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 3.62 0.25 -0.72 3.00 0.14 -4.48 117.38 119.19 3i1k n GLN 119 Ca 0.00 -2.81 0.11 0.00 -0.01 0.00 0.00 57.00 54.29 3i1k n GLN 119 Cb 0.00 -1.84 0.67 0.00 0.00 0.00 0.00 30.24 29.07 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 3.55 0.00 0.00 -1.09 9.09 -1.92 -3.47 114.58 120.73 3i1k h GLU 120 Ca 0.00 0.00 0.17 0.00 0.05 0.00 0.00 59.36 59.58 3i1k h GLU 120 Cb 1.41 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 28.46 3i1k h GLU 120 CO 0.22 0.14 -0.22 0.41 0.05 0.00 0.00 179.01 179.62 3i1k n GLY 121 N -0.71 -1.86 0.36 1.06 0.00 -1.26 -2.42 105.19 100.36 3i1k n GLY 121 Ca -0.02 -1.27 0.11 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.56 0.53 0.65 1.61 0.02 -1.95 -2.48 113.55 111.37 3i1k h SER 122 Ca 0.01 0.02 -0.18 0.00 -0.84 0.00 0.00 61.79 60.80 3i1k h SER 122 Cb 0.55 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.99 3i1k h SER 122 CO 0.00 0.31 -0.82 0.77 -1.14 0.00 0.00 176.83 175.95 3i1k h SER 123 N 0.58 0.15 -0.48 3.07 4.64 -1.93 -1.51 113.55 118.08 3i1k h SER 123 Ca 0.35 -0.12 0.05 0.00 -0.47 0.00 0.00 61.79 61.60 3i1k h SER 123 Cb 0.58 -0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 62.59 3i1k h SER 123 CO -0.13 0.90 0.32 1.23 -0.87 0.00 0.00 176.83 178.29 3i1k h GLY 124 N 2.02 0.56 1.82 -0.77 0.00 -1.09 -0.99 103.07 104.61 3i1k h GLY 124 Ca -0.03 -0.19 -0.23 0.00 0.00 0.00 0.00 47.33 46.88 3i1k h GLY 124 CO 0.12 0.15 -1.13 1.49 0.00 0.00 0.00 176.54 177.18 3i1k h TRP 125 N 0.47 0.10 -0.72 5.60 4.06 -1.21 -2.46 115.95 121.79 3i1k h TRP 125 Ca 0.20 -0.07 0.01 0.00 2.06 0.00 0.00 58.89 61.09 3i1k h TRP 125 Cb 0.21 -0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 28.33 3i1k h TRP 125 CO -0.00 1.06 0.48 0.28 -3.56 0.00 0.00 178.44 176.70 3i1k h VAL 126 N 0.02 1.18 -0.51 1.49 2.07 -0.87 -1.07 116.25 118.55 3i1k h VAL 126 Ca -0.07 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.10 3i1k h VAL 126 Cb 1.84 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.71 3i1k h VAL 126 CO 0.14 0.18 0.25 0.28 0.02 0.00 0.00 177.57 178.43 3i1k h SER 127 N 0.97 0.67 -0.71 0.57 0.02 -1.14 -0.81 113.55 113.12 3i1k h SER 127 Ca 0.26 -0.13 0.01 0.00 -0.84 0.00 0.00 61.79 61.09 3i1k h SER 127 Cb -0.11 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.22 3i1k h SER 127 CO -0.06 0.61 0.47 0.78 -1.14 0.00 0.00 176.83 177.49 3i1k h ASN 128 N 0.69 0.81 -0.43 3.07 2.35 -1.30 -2.11 115.58 118.65 3i1k h ASN 128 Ca 0.18 -0.02 0.01 0.00 -0.55 0.00 0.00 56.30 55.92 3i1k h ASN 128 Cb 0.12 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.27 3i1k h ASN 128 CO -0.02 0.58 0.27 0.50 -1.65 0.00 0.00 177.43 177.11 3i1k h LYS 129 N 0.95 0.54 -0.71 0.81 3.64 -0.90 0.18 116.57 121.09 3i1k h LYS 129 Ca 0.26 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.63 3i1k h LYS 129 Cb -0.10 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 31.56 3i1k h LYS 129 CO -0.06 0.36 0.46 0.28 -2.27 0.00 0.00 179.45 178.21 3i1k h VAL 130 N 0.56 1.14 -0.12 2.00 2.07 -1.03 -0.54 116.25 120.32 3i1k h VAL 130 Ca 0.16 -0.31 0.01 0.00 0.82 0.00 0.00 66.70 67.38 3i1k h VAL 130 Cb -0.04 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 29.87 3i1k h VAL 130 CO -0.05 0.17 0.03 1.23 0.02 0.00 0.00 177.57 178.97 3i1k h GLY 131 N 0.91 0.14 0.95 2.17 0.00 -0.94 0.33 103.07 106.64 3i1k h GLY 131 Ca 0.27 -0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.56 3i1k h GLY 131 CO -0.08 0.01 -0.24 -2.75 0.00 0.00 0.00 176.54 173.48 3i1k h PHE 132 N 0.09 -0.62 -0.42 5.60 3.57 -0.70 -2.59 116.94 121.88 3i1k h PHE 132 Ca 0.05 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.49 3i1k h PHE 132 Cb 0.03 0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 3i1k h PHE 132 CO -0.11 -0.36 0.04 1.88 -2.23 0.00 0.00 178.31 177.54 3i1k h TYR 133 N -0.72 0.68 -0.38 0.41 0.05 -1.03 -0.36 116.97 115.62 3i1k h TYR 133 Ca -0.07 -0.07 0.02 0.00 0.05 0.00 0.00 58.73 58.66 3i1k h TYR 133 Cb 0.54 -0.20 -0.03 0.00 1.01 0.00 0.00 36.73 38.06 3i1k h TYR 133 CO -0.03 0.62 0.22 0.77 -1.05 0.00 0.00 178.16 178.69 3i1k h SER 134 N 0.63 0.36 -0.32 3.88 0.02 -0.90 -0.56 113.55 116.65 3i1k h SER 134 Ca 0.13 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.99 3i1k h SER 134 Cb 0.33 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 3i1k h SER 134 CO 0.01 0.26 -0.18 0.50 -1.14 0.00 0.00 176.83 176.28 3i1k h LYS 135 N 0.45 0.68 0.20 3.45 1.63 -1.13 -2.42 116.57 119.43 3i1k h LYS 135 Ca 0.15 -0.31 0.00 0.00 -0.85 0.00 0.00 60.65 59.64 3i1k h LYS 135 Cb 0.01 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.61 3i1k h LYS 135 CO -0.07 0.90 -0.19 1.25 -3.45 0.00 0.00 179.45 177.90 3i1k h LEU 136 N 0.44 -0.49 -0.28 5.20 5.85 -0.90 -1.06 115.31 124.07 3i1k h LEU 136 Ca 0.07 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 3i1k h LEU 136 Cb 0.71 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.90 3i1k h LEU 136 CO 0.05 -0.28 0.14 1.88 -0.34 0.00 0.00 178.44 179.88 3i1k h TYR 137 N -0.41 0.40 -0.46 1.25 0.05 -1.14 0.20 116.97 116.85 3i1k h TYR 137 Ca -0.00 -0.02 -0.06 0.00 0.05 0.00 0.00 58.73 58.70 3i1k h TYR 137 Cb 0.38 -0.12 -0.02 0.00 1.01 0.00 0.00 36.73 37.98 3i1k h TYR 137 CO -0.14 0.37 0.05 0.66 -1.05 0.00 0.00 178.16 178.05 3i1k h SER 138 N 0.32 0.76 -0.76 3.88 4.64 -1.33 -2.49 113.55 118.57 3i1k h SER 138 Ca 0.10 -0.27 -0.01 0.00 -0.47 0.00 0.00 61.79 61.13 3i1k h SER 138 Cb 0.12 -0.20 -0.04 0.00 -0.31 0.00 0.00 62.40 61.97 3i1k h SER 138 CO -0.01 0.84 0.44 0.24 -0.87 0.00 0.00 176.83 177.47 3i1k h MET 139 N 0.64 1.04 0.00 4.77 2.86 -1.03 -3.09 114.93 120.13 3i1k h MET 139 Ca 0.14 -0.11 -0.05 0.00 -2.06 0.00 0.00 59.70 57.62 3i1k h MET 139 Cb 0.42 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 3i1k h MET 139 CO 0.01 0.76 -0.25 0.00 1.06 0.00 0.00 176.91 178.49 3i1k h ALA 140 N 1.23 1.45 0.00 6.32 0.00 -0.40 -1.76 119.26 126.10 3i1k h ALA 140 Ca 0.27 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3i1k h ALA 140 Cb -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3i1k h ALA 140 CO -0.05 0.31 0.00 0.66 0.00 0.00 0.00 179.25 180.18 3i1k h SER 141 N 0.00 0.00 -0.31 0.00 4.64 -1.36 -2.56 113.55 113.97 3i1k h SER 141 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3i1k h SER 141 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 3i1k h SER 141 CO 0.03 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.34 3i1k n THR 142 N -3.04 0.39 -4.33 2.95 -2.24 -0.67 -2.02 114.28 105.32 3i1k n THR 142 Ca -0.00 -0.68 -0.18 0.00 -2.27 0.00 0.00 64.05 60.92 3i1k n THR 142 Cb 0.24 1.05 -0.10 0.00 -2.10 0.00 0.00 70.33 69.42 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 -1.59 2.25 -0.13 3.42 0.01 -0.96 -1.07 113.70 115.62 3i1k s SER 143 Ca 0.37 -1.09 -0.08 0.00 1.31 0.00 0.00 55.95 56.46 3i1k s SER 143 Cb 0.22 -0.08 -0.06 0.00 0.21 0.00 0.00 66.02 66.31 3i1k s SER 143 CO 0.31 -0.31 -0.19 -1.14 0.41 0.00 0.00 173.24 172.32 3i1k n ARG 144 N -0.37 0.31 -3.81 12.44 0.63 -1.26 -4.68 116.66 119.91 3i1k n ARG 144 Ca -0.08 0.13 -0.36 0.00 -0.92 0.00 0.00 57.85 56.63 3i1k n ARG 144 Cb 0.62 -1.02 -0.06 0.00 0.45 0.00 0.00 32.46 32.45 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 -1.16 0.13 -0.08 0.00 1.01 -0.35 -2.83 121.20 117.93 3i1k s ILE 146 Ca 0.21 0.21 -0.03 0.00 0.00 0.00 0.00 60.65 61.04 3i1k s ILE 146 Cb -0.13 -0.30 0.04 0.00 0.01 0.00 0.00 42.46 42.09 3i1k s ILE 146 CO 0.11 0.18 0.16 -0.75 0.00 0.00 0.00 174.94 174.64 3i1k s LYS 147 N 1.64 0.06 0.01 2.79 2.20 -0.63 -1.50 119.74 124.31 3i1k s LYS 147 Ca -0.01 0.51 -0.30 0.00 -0.36 0.00 0.00 55.97 55.80 3i1k s LYS 147 Cb -0.13 -0.23 -0.05 0.00 -1.51 0.00 0.00 37.83 35.91 3i1k s LYS 147 CO -0.03 -0.26 1.33 -1.17 -0.36 0.00 0.00 175.35 174.86 3i1k s LEU 148 N 1.91 4.32 0.14 5.43 2.96 -0.33 0.11 118.68 133.21 3i1k s LEU 148 Ca -0.01 2.06 0.07 0.00 -0.22 0.00 0.00 54.13 56.03 3i1k s LEU 148 Cb -0.12 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 42.97 3i1k s LEU 148 CO -0.06 -0.65 -0.16 0.27 -1.32 0.00 0.00 176.35 174.43 3i1k s ILE 149 N 2.06 1.56 -0.07 6.68 -4.36 -0.36 -4.83 121.20 121.88 3i1k s ILE 149 Ca 0.61 -1.80 -0.18 0.00 -0.26 0.00 0.00 60.65 59.03 3i1k s ILE 149 Cb -0.30 -1.67 -0.05 0.00 1.25 0.00 0.00 42.46 41.69 3i1k s ILE 149 CO 0.26 -0.36 0.48 0.20 0.24 0.00 0.00 174.94 175.77 3i1k s ASN 150 N -2.52 6.76 0.36 4.36 0.01 -1.26 -1.98 114.94 120.67 3i1k s ASN 150 Ca 0.12 0.91 -0.10 0.00 -0.71 0.00 0.00 52.86 53.07 3i1k s ASN 150 Cb -0.05 -2.29 -0.07 0.00 0.41 0.00 0.00 41.25 39.25 3i1k s ASN 150 CO 0.05 0.09 0.71 -0.76 -1.51 0.00 0.00 177.10 175.68 3i1k s LEU 151 N 0.09 3.93 0.48 0.60 1.02 0.26 -4.95 118.68 120.10 3i1k s LEU 151 Ca 0.26 1.07 -0.23 0.00 0.02 0.00 0.00 54.13 55.25 3i1k s LEU 151 Cb -0.16 -3.92 -0.07 0.00 0.02 0.00 0.00 46.19 42.06 3i1k s LEU 151 CO 0.12 -0.31 1.21 -1.81 0.02 0.00 0.00 176.35 175.59 3i1k s ASP 152 N -2.95 5.96 0.80 2.29 1.01 -1.26 -4.89 116.67 117.63 3i1k s ASP 152 Ca 0.50 2.42 -0.14 0.00 0.71 0.00 0.00 52.55 56.04 3i1k s ASP 152 Cb -0.10 -2.61 0.06 0.00 1.01 0.00 0.00 42.92 41.28 3i1k s ASP 152 CO 0.28 -1.07 1.10 -0.81 0.21 0.00 0.00 175.17 174.88 3i1k n PRO 153 N -0.60 0.21 -1.63 8.23 -0.04 -1.26 -4.76 135.00 135.15 3i1k n PRO 153 Ca 0.08 0.14 -0.29 0.00 -0.04 0.00 0.00 63.50 63.39 3i1k n PRO 153 Cb 0.47 -2.36 0.10 0.00 -0.04 0.00 0.00 33.50 31.68 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 -3.92 1.81 0.29 0.54 0.04 -1.26 -4.94 135.00 127.54 3i1k s PRO 154 Ca 0.72 0.42 -0.30 0.00 0.04 0.00 0.00 61.00 61.88 3i1k s PRO 154 Cb -0.30 -1.91 -0.12 0.00 0.04 0.00 0.00 34.50 32.21 3i1k s PRO 154 CO 0.52 -1.76 1.46 0.25 0.04 0.00 0.00 177.00 177.51 3i1k n THR 155 N -3.49 1.24 -1.32 1.26 -2.24 -0.96 -4.86 114.28 103.90 3i1k n THR 155 Ca 0.07 -0.31 -0.35 0.00 -2.27 0.00 0.00 64.05 61.19 3i1k n THR 155 Cb 0.58 -1.71 0.10 0.00 -2.10 0.00 0.00 70.33 67.20 3i1k n THR 155 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3i1k n ASN 156 N 1.79 0.86 -3.85 3.42 2.85 -1.26 -4.70 115.26 114.38 3i1k n ASN 156 Ca 0.08 0.66 -0.07 0.00 -0.11 0.00 0.00 54.58 55.14 3i1k n ASN 156 Cb 0.35 -1.46 -0.02 0.00 1.24 0.00 0.00 39.78 39.89 3i1k n ASN 156 CO 0.00 0.00 0.00 0.72 -2.11 0.00 0.00 177.26 175.87 3i1k s PHE 157 N -1.86 -0.19 0.06 1.20 -0.71 -1.26 -5.07 117.98 110.15 3i1k s PHE 157 Ca 0.74 -0.28 0.00 0.00 -1.04 0.00 0.00 56.93 56.36 3i1k s PHE 157 Cb -0.33 0.71 -0.04 0.00 -1.21 0.00 0.00 43.02 42.16 3i1k s PHE 157 CO 0.49 -1.24 -0.05 0.99 -1.34 0.00 0.00 175.22 174.07 3i1k s THR 158 N -3.89 0.38 -1.06 -4.49 2.01 -1.26 -4.92 115.64 102.40 3i1k s THR 158 Ca 0.11 -1.64 -0.06 0.00 0.31 0.00 0.00 61.69 60.41 3i1k s THR 158 Cb -0.06 -1.29 -0.06 0.00 0.01 0.00 0.00 72.50 71.10 3i1k s THR 158 CO 0.07 -0.83 0.92 0.59 -0.69 0.00 0.00 174.62 174.69 3i1k n ASN 159 N 0.42 -6.30 -3.96 3.53 5.03 -1.26 -4.88 115.26 107.85 3i1k n ASN 159 Ca -0.16 -0.71 -0.09 0.00 0.87 0.00 0.00 54.58 54.49 3i1k n ASN 159 Cb 0.59 -5.18 -0.08 0.00 -1.02 0.00 0.00 39.78 34.09 3i1k n ASN 159 CO 0.00 0.00 0.00 -0.72 -1.83 0.00 0.00 177.26 174.71 3i1k s TYR 160 N -3.39 0.38 0.11 3.10 -0.85 -1.26 -0.87 117.35 114.57 3i1k s TYR 160 Ca 0.43 -0.79 0.10 0.00 -0.52 0.00 0.00 57.07 56.28 3i1k s TYR 160 Cb -0.06 -0.15 -0.04 0.00 0.38 0.00 0.00 41.96 42.10 3i1k s TYR 160 CO 0.74 -0.60 -0.25 1.03 -1.52 0.00 0.00 175.55 174.96 3i1k s ARG 161 N -3.94 1.37 0.42 -3.49 0.52 0.11 -4.92 118.95 109.02 3i1k s ARG 161 Ca 0.13 -1.24 -0.23 0.00 -0.52 0.00 0.00 55.73 53.87 3i1k s ARG 161 Cb 0.05 -1.73 -0.09 0.00 0.52 0.00 0.00 34.95 33.70 3i1k s ARG 161 CO -0.05 0.42 1.06 -0.80 0.02 0.00 0.00 175.30 175.94 3i1k s ASN 162 N -1.86 6.62 0.68 0.23 0.01 -1.26 -0.16 114.94 119.21 3i1k s ASN 162 Ca 0.11 2.03 -0.14 0.00 -0.71 0.00 0.00 52.86 54.15 3i1k s ASN 162 Cb -0.10 -2.58 0.01 0.00 0.41 0.00 0.00 41.25 38.99 3i1k s ASN 162 CO 0.05 -0.59 1.12 -0.83 -1.51 0.00 0.00 177.10 175.33 3i1k s GLY 163 N -1.64 2.09 0.18 0.66 0.00 -0.37 -4.81 107.32 103.44 3i1k s GLY 163 Ca 0.60 0.53 0.03 0.00 0.00 0.00 0.00 44.72 45.89 3i1k s GLY 163 CO 0.26 0.89 -0.03 -0.51 0.00 0.00 0.00 173.10 173.71 3i1k s THR 164 N -2.40 0.95 0.16 0.90 -4.23 -1.26 -4.85 115.64 104.91 3i1k s THR 164 Ca 0.67 -2.02 -0.15 0.00 -1.18 0.00 0.00 61.69 59.00 3i1k s THR 164 Cb -0.21 -2.11 -0.07 0.00 1.34 0.00 0.00 72.50 71.45 3i1k s THR 164 CO 0.44 -0.51 0.58 0.00 -0.54 0.00 0.00 174.62 174.59 3i1k n VAL 166 N 0.77 0.19 -1.51 0.00 0.24 -0.90 -4.29 118.33 112.82 3i1k n VAL 166 Ca -0.05 -0.14 -0.33 0.00 -2.04 0.00 0.00 64.34 61.79 3i1k n VAL 166 Cb 0.52 -0.03 0.08 0.00 -1.47 0.00 0.00 33.84 32.93 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 2.09 -1.39 7.63 0.00 0.29 -2.61 107.32 109.99 3i1k s GLY 167 Ca 0.09 0.59 -0.02 0.00 0.00 0.00 0.00 44.72 45.38 3i1k s GLY 167 CO 0.69 0.96 0.42 0.70 0.00 0.00 0.00 173.10 175.87 3i1k n ASN 168 N -2.82 -0.59 -1.81 1.64 3.02 -1.26 -1.24 115.26 112.20 3i1k n ASN 168 Ca 0.11 -1.03 -0.20 0.00 -0.03 0.00 0.00 54.58 53.44 3i1k n ASN 168 Cb 0.52 -2.98 -0.06 0.00 -0.61 0.00 0.00 39.78 36.64 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 -2.00 1.22 2.02 7.41 0.00 -1.24 -0.91 105.19 111.68 3i1k n GLY 169 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.55 0.82 0.15 -0.02 0.00 -0.37 -4.93 105.19 100.30 3i1k n GLY 170 Ca -0.21 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.93 3i1k n GLY 170 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3i1k h THR 171 N 0.00 0.00 -3.07 2.61 1.35 -0.97 -3.46 112.91 109.38 3i1k h THR 171 Ca 0.00 -0.76 -0.53 0.00 -0.55 0.00 0.00 66.41 64.57 3i1k h THR 171 Cb 0.00 1.68 0.02 0.00 -1.73 0.00 0.00 68.15 68.12 3i1k h THR 171 CO 0.00 0.00 0.68 0.00 -0.25 0.00 0.00 175.52 175.95 3i1k s ALA 172 N -3.18 3.53 -0.28 6.62 0.00 -1.16 -4.97 121.76 122.32 3i1k s ALA 172 Ca 0.08 1.05 -0.22 0.00 0.00 0.00 0.00 51.96 52.87 3i1k s ALA 172 Cb 0.09 -3.51 -0.01 0.00 0.00 0.00 0.00 23.12 19.69 3i1k s ALA 172 CO 0.66 -0.56 0.69 0.21 0.00 0.00 0.00 175.76 176.76 3i1k s LYS 173 N 1.03 4.03 0.48 0.00 2.47 -1.26 -4.15 119.74 122.34 3i1k s LYS 173 Ca 0.63 0.54 -0.23 0.00 -1.56 0.00 0.00 55.97 55.34 3i1k s LYS 173 Cb -0.35 -3.69 -0.07 0.00 -1.46 0.00 0.00 37.83 32.26 3i1k s LYS 173 CO 0.30 -0.53 1.32 1.41 0.16 0.00 0.00 175.35 178.01 3i1k s MET 174 N 2.68 3.54 0.26 4.03 -2.45 -1.26 -4.92 119.30 121.18 3i1k s MET 174 Ca 0.28 2.15 -0.28 0.00 -1.25 0.00 0.00 55.69 56.60 3i1k s MET 174 Cb -0.15 -2.46 -0.15 0.00 1.25 0.00 0.00 34.83 33.32 3i1k s MET 174 CO 0.10 -0.84 0.84 -2.30 1.05 0.00 0.00 175.02 173.87 3i1k n PRO 175 N -0.52 0.90 0.23 4.11 -0.02 -1.26 -4.87 135.00 133.56 3i1k n PRO 175 Ca 0.07 0.32 0.11 0.00 -2.02 0.00 0.00 63.50 61.98 3i1k n PRO 175 Cb 0.45 -1.57 0.46 0.00 -0.02 0.00 0.00 33.50 32.82 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 1.64 0.00 -3.25 2.55 3.32 -1.11 -3.42 116.42 116.15 3i1k h ASP 176 Ca -0.36 0.00 -0.47 0.00 0.02 0.00 0.00 57.03 56.22 3i1k h ASP 176 Cb 1.37 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 40.54 3i1k h ASP 176 CO 0.59 0.20 -0.77 0.21 -1.72 0.00 0.00 179.24 177.75 3i1k s ASN 177 N -6.14 2.02 0.61 6.45 2.47 -0.05 -3.50 114.94 116.78 3i1k s ASN 177 Ca 0.01 -0.32 -0.13 0.00 0.42 0.00 0.00 52.86 52.84 3i1k s ASN 177 Cb 0.10 -0.52 -0.04 0.00 -1.45 0.00 0.00 41.25 39.34 3i1k s ASN 177 CO 0.63 -0.22 1.03 -2.16 -3.72 0.00 0.00 177.10 172.66 3i1k s PRO 178 N 1.92 3.50 -0.28 0.43 0.04 -1.26 -4.34 135.00 135.02 3i1k s PRO 178 Ca 0.03 0.92 -0.17 0.00 0.04 0.00 0.00 61.00 61.82 3i1k s PRO 178 Cb -0.14 -2.07 -0.03 0.00 0.04 0.00 0.00 34.50 32.31 3i1k s PRO 178 CO -0.06 -0.65 0.48 -1.14 0.04 0.00 0.00 177.00 175.68 3i1k s GLN 179 N -4.70 3.98 0.03 4.56 2.00 0.08 -4.75 119.66 120.87 3i1k s GLN 179 Ca 0.58 0.18 -0.20 0.00 -2.00 0.00 0.00 55.36 53.92 3i1k s GLN 179 Cb -0.12 -3.68 -0.06 0.00 0.80 0.00 0.00 33.01 29.95 3i1k s GLN 179 CO 0.46 -0.38 0.58 -1.17 -0.50 0.00 0.00 175.29 174.27 3i1k s LEU 180 N 2.28 4.47 0.08 3.68 2.96 -1.26 -1.79 118.68 129.10 3i1k s LEU 180 Ca 0.19 1.21 0.05 0.00 -0.22 0.00 0.00 54.13 55.37 3i1k s LEU 180 Cb -0.16 -2.90 -0.03 0.00 0.50 0.00 0.00 46.19 43.60 3i1k s LEU 180 CO 0.10 0.19 -0.14 0.68 -1.32 0.00 0.00 176.35 175.86 3i1k s VAL 181 N -0.66 1.17 -0.13 1.68 -7.23 0.69 -1.23 120.40 114.67 3i1k s VAL 181 Ca 0.30 -1.40 0.01 0.00 -1.81 0.00 0.00 61.98 59.08 3i1k s VAL 181 Cb -0.19 -1.18 0.02 0.00 0.56 0.00 0.00 36.38 35.59 3i1k s VAL 181 CO 0.18 -0.26 -0.15 -0.63 -0.31 0.00 0.00 175.10 173.93 3i1k s ILE 182 N -1.45 1.52 0.28 -0.62 1.01 0.78 -1.75 121.20 120.97 3i1k s ILE 182 Ca 0.00 -0.63 -0.23 0.00 0.00 0.00 0.00 60.65 59.79 3i1k s ILE 182 Cb -0.09 -1.41 -0.09 0.00 0.01 0.00 0.00 42.46 40.88 3i1k s ILE 182 CO 0.02 0.45 0.85 -0.36 0.00 0.00 0.00 174.94 175.91 3i1k s PHE 183 N 1.23 3.67 0.25 3.97 0.40 -0.53 -0.71 117.98 126.26 3i1k s PHE 183 Ca -0.01 1.62 -0.04 0.00 -0.60 0.00 0.00 56.93 57.91 3i1k s PHE 183 Cb -0.14 -2.80 0.41 0.00 0.51 0.00 0.00 43.02 41.00 3i1k s PHE 183 CO -0.06 0.26 1.82 -0.44 0.70 0.00 0.00 175.22 177.50 3i1k h ASP 184 N 3.27 0.74 -3.75 1.36 3.32 -1.34 -3.42 116.42 116.60 3i1k h ASP 184 Ca -0.47 0.04 -0.45 0.00 0.02 0.00 0.00 57.03 56.17 3i1k h ASP 184 Cb 1.19 -0.10 -0.17 0.00 0.22 0.00 0.00 39.33 40.46 3i1k h ASP 184 CO 0.65 0.43 -0.76 0.00 -1.72 0.00 0.00 179.24 177.84 3i1k s ALA 185 N -6.03 1.75 0.05 3.45 0.00 -1.26 -5.11 121.76 114.61 3i1k s ALA 185 Ca -0.12 -1.43 -0.37 0.00 0.00 0.00 0.00 51.96 50.04 3i1k s ALA 185 Cb 0.20 -0.11 -0.16 0.00 0.00 0.00 0.00 23.12 23.05 3i1k s ALA 185 CO 0.79 0.13 1.41 0.28 0.00 0.00 0.00 175.76 178.37 3i1k n VAL 186 N 0.27 0.04 -3.96 0.00 0.31 -1.26 -4.84 118.33 108.88 3i1k n VAL 186 Ca -0.13 -0.01 -0.09 0.00 -0.01 0.00 0.00 64.34 64.10 3i1k n VAL 186 Cb 0.58 -0.94 -0.08 0.00 -0.91 0.00 0.00 33.84 32.49 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 0.89 0.10 -0.11 2.52 -1.32 0.02 -5.01 115.64 112.73 3i1k s THR 187 Ca 0.86 -1.41 0.01 0.00 -1.21 0.00 0.00 61.69 59.93 3i1k s THR 187 Cb -0.94 -1.71 -0.02 0.00 -1.51 0.00 0.00 72.50 68.33 3i1k s THR 187 CO 0.48 -0.45 -0.14 -0.54 -2.21 0.00 0.00 174.62 171.76 3i1k s LYS 188 N -3.94 3.20 -0.29 7.08 -0.14 -1.26 -3.90 119.74 120.48 3i1k s LYS 188 Ca 0.14 -0.71 -0.18 0.00 -1.36 0.00 0.00 55.97 53.86 3i1k s LYS 188 Cb 0.04 -2.56 0.15 0.00 -1.68 0.00 0.00 37.83 33.79 3i1k s LYS 188 CO -0.03 0.28 1.05 -1.17 -0.76 0.00 0.00 175.35 174.72 3i1k s LEU 189 N 0.16 -0.41 -0.04 3.17 1.98 -1.26 -5.09 118.68 117.18 3i1k s LEU 189 Ca -0.08 0.69 0.01 0.00 -2.89 0.00 0.00 54.13 51.86 3i1k s LEU 189 Cb -0.15 1.64 0.02 0.00 0.66 0.00 0.00 46.19 48.36 3i1k s LEU 189 CO 0.05 -0.11 -0.03 -0.55 -1.89 0.00 0.00 176.35 173.82 3i1k s SER 190 N 1.03 0.75 0.11 3.68 0.15 -1.26 -2.42 113.70 115.75 3i1k s SER 190 Ca -0.06 -0.09 0.08 0.00 0.70 0.00 0.00 55.95 56.59 3i1k s SER 190 Cb -0.04 -0.36 -0.04 0.00 -1.71 0.00 0.00 66.02 63.88 3i1k s SER 190 CO -0.13 -0.07 -0.21 0.28 1.20 0.00 0.00 173.24 174.31 3i1k s THR 191 N 0.96 1.77 -0.14 6.45 -1.32 -0.41 -4.95 115.64 118.01 3i1k s THR 191 Ca -0.11 -1.62 -0.06 0.00 -1.21 0.00 0.00 61.69 58.69 3i1k s THR 191 Cb -0.14 -1.64 -0.04 0.00 -1.51 0.00 0.00 72.50 69.17 3i1k s THR 191 CO -0.01 -0.09 0.06 -1.58 -2.21 0.00 0.00 174.62 170.80 3i1k s GLN 192 N -2.07 3.55 0.17 7.08 0.74 -1.26 -0.42 119.66 127.45 3i1k s GLN 192 Ca 0.09 -0.31 0.03 0.00 0.05 0.00 0.00 55.36 55.22 3i1k s GLN 192 Cb -0.09 -3.08 -0.05 0.00 1.10 0.00 0.00 33.01 30.89 3i1k s GLN 192 CO 0.05 0.53 -0.03 -0.59 -0.55 0.00 0.00 175.29 174.70 3i1k s PHE 193 N -0.36 1.27 -0.08 1.67 -0.71 0.02 -2.27 117.98 117.52 3i1k s PHE 193 Ca 0.09 -0.92 0.02 0.00 -1.04 0.00 0.00 56.93 55.08 3i1k s PHE 193 Cb -0.12 -0.71 0.02 0.00 -1.21 0.00 0.00 43.02 41.00 3i1k s PHE 193 CO 0.02 -0.09 -0.12 0.08 -1.34 0.00 0.00 175.22 173.76 3i1k s VAL 194 N -3.52 1.22 -0.33 -2.49 1.01 -1.26 -0.86 120.40 114.17 3i1k s VAL 194 Ca 0.22 -0.49 -0.12 0.00 0.00 0.00 0.00 61.98 61.59 3i1k s VAL 194 Cb 0.05 -1.13 -0.02 0.00 0.00 0.00 0.00 36.38 35.28 3i1k s VAL 194 CO 0.03 0.38 0.21 -0.76 0.00 0.00 0.00 175.10 174.96 3i1k s LEU 195 N 0.91 4.37 0.65 3.92 1.43 -0.05 -4.64 118.68 125.26 3i1k s LEU 195 Ca -0.10 -0.41 -0.12 0.00 -1.03 0.00 0.00 54.13 52.47 3i1k s LEU 195 Cb -0.15 -2.10 -0.02 0.00 0.03 0.00 0.00 46.19 43.95 3i1k s LEU 195 CO 0.01 -0.21 1.05 -2.16 0.23 0.00 0.00 176.35 175.27 3i1k s PRO 196 N 1.70 3.24 0.00 1.29 0.04 -1.26 0.13 135.00 140.13 3i1k s PRO 196 Ca 0.06 0.94 0.27 0.00 0.04 0.00 0.00 61.00 62.31 3i1k s PRO 196 Cb -0.17 -2.03 0.93 0.00 0.04 0.00 0.00 34.50 33.26 3i1k s PRO 196 CO 0.09 -0.86 1.67 0.27 0.04 0.00 0.00 177.00 178.21 3i1k n ASN 197 N -2.75 0.96 -3.86 6.66 0.23 -1.26 -4.65 115.26 110.59 3i1k n ASN 197 Ca 0.07 -0.92 -0.09 0.00 -0.53 0.00 0.00 54.58 53.11 3i1k n ASN 197 Cb 0.54 0.06 -0.04 0.00 -2.08 0.00 0.00 39.78 38.26 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 -2.41 -0.17 -0.26 0.53 1.04 -1.26 -0.64 113.70 110.53 3i1k s SER 198 Ca 0.28 -0.68 -0.01 0.00 0.48 0.00 0.00 55.95 56.02 3i1k s SER 198 Cb 0.20 0.58 0.13 0.00 0.10 0.00 0.00 66.02 67.03 3i1k s SER 198 CO 0.48 -1.09 0.33 -0.55 0.98 0.00 0.00 173.24 173.39 3i1k s SER 199 N -2.93 0.93 -0.58 7.02 0.15 -0.33 -4.85 113.70 113.10 3i1k s SER 199 Ca 0.14 -0.29 -0.13 0.00 0.70 0.00 0.00 55.95 56.37 3i1k s SER 199 Cb -0.01 0.79 0.02 0.00 -1.71 0.00 0.00 66.02 65.12 3i1k s SER 199 CO 0.02 -0.34 0.35 -0.67 1.20 0.00 0.00 173.24 173.79 3i1k n ASP 200 N 5.34 -2.27 0.00 5.45 -0.08 -1.26 -1.72 116.55 122.01 3i1k n ASP 200 Ca -0.03 -0.64 0.00 0.00 -1.51 0.00 0.00 54.79 52.61 3i1k n ASP 200 Cb 0.49 -0.84 0.00 0.00 2.34 0.00 0.00 41.12 43.11 3i1k n ASP 200 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3i1k n GLY 201 N -1.42 2.83 3.77 0.27 0.00 -1.26 -5.05 105.19 104.33 3i1k n GLY 201 Ca -0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.71 4.98 -0.10 1.61 1.01 -0.70 -5.06 120.40 119.43 3i1k s VAL 202 Ca 0.00 1.10 -0.26 0.00 0.00 0.00 0.00 61.98 62.82 3i1k s VAL 202 Cb 0.00 -3.86 -0.02 0.00 0.00 0.00 0.00 36.38 32.49 3i1k s VAL 202 CO 0.00 0.43 0.84 -0.44 0.00 0.00 0.00 175.10 175.93 3i1k s SER 203 N -0.21 7.07 -1.12 3.32 0.01 -1.26 -1.19 113.70 120.31 3i1k s SER 203 Ca 0.28 1.30 -0.09 0.00 1.31 0.00 0.00 55.95 58.76 3i1k s SER 203 Cb -0.17 -2.47 0.28 0.00 0.21 0.00 0.00 66.02 63.86 3i1k s SER 203 CO 0.15 -0.30 1.16 0.00 0.41 0.00 0.00 173.24 174.66 3i1k h THR 205 N 3.66 0.18 -3.55 0.00 1.35 -1.33 -3.40 112.91 109.82 3i1k h THR 205 Ca 0.19 -0.82 -0.06 0.00 -0.55 0.00 0.00 66.41 65.17 3i1k h THR 205 Cb 0.85 1.69 -0.11 0.00 -1.73 0.00 0.00 68.15 68.85 3i1k h THR 205 CO 1.06 0.08 -0.13 -1.59 -0.25 0.00 0.00 175.52 174.69 3i1k s LYS 206 N -3.57 1.25 -0.03 4.72 0.00 -0.74 -4.48 119.74 116.90 3i1k s LYS 206 Ca 0.02 -0.97 0.03 0.00 0.00 0.00 0.00 55.97 55.04 3i1k s LYS 206 Cb 0.09 0.45 0.00 0.00 0.00 0.00 0.00 37.83 38.37 3i1k s LYS 206 CO 0.60 -0.50 -0.10 -1.01 0.00 0.00 0.00 175.35 174.34 3i1k s HIS 207 N -3.90 1.04 -0.35 1.78 3.76 0.26 -0.90 115.29 116.98 3i1k s HIS 207 Ca 0.11 -0.27 -0.20 0.00 -0.15 0.00 0.00 55.06 54.56 3i1k s HIS 207 Cb 0.01 -0.73 0.00 0.00 1.11 0.00 0.00 32.58 32.97 3i1k s HIS 207 CO -0.03 -0.11 0.60 -1.17 -0.85 0.00 0.00 174.74 173.18 3i1k s LEU 208 N 0.18 4.28 -0.04 0.89 2.96 -0.22 -0.41 118.68 126.33 3i1k s LEU 208 Ca -0.03 0.10 0.03 0.00 -0.22 0.00 0.00 54.13 54.00 3i1k s LEU 208 Cb -0.09 -2.73 0.01 0.00 0.50 0.00 0.00 46.19 43.88 3i1k s LEU 208 CO 0.01 -0.56 -0.10 -0.69 -1.32 0.00 0.00 176.35 173.69 3i1k s VAL 209 N 2.61 0.92 0.34 1.68 1.01 -0.32 -1.88 120.40 124.76 3i1k s VAL 209 Ca 0.23 -0.41 -0.16 0.00 0.00 0.00 0.00 61.98 61.63 3i1k s VAL 209 Cb -0.15 -0.82 -0.09 0.00 0.00 0.00 0.00 36.38 35.32 3i1k s VAL 209 CO 0.14 0.29 0.78 -2.16 0.00 0.00 0.00 175.10 174.15 3i1k s PRO 210 N 0.32 4.07 -0.14 2.72 0.04 -1.26 -0.66 135.00 140.08 3i1k s PRO 210 Ca -0.06 0.77 -0.01 0.00 0.04 0.00 0.00 61.00 61.74 3i1k s PRO 210 Cb -0.11 -2.41 0.04 0.00 0.04 0.00 0.00 34.50 32.06 3i1k s PRO 210 CO 0.01 0.13 -0.01 0.12 0.04 0.00 0.00 177.00 177.29 3i1k s PHE 211 N -1.99 1.18 0.16 0.56 5.36 0.28 -4.66 117.98 118.86 3i1k s PHE 211 Ca 0.55 -0.71 0.09 0.00 -0.96 0.00 0.00 56.93 55.91 3i1k s PHE 211 Cb -0.10 -1.07 -0.04 0.00 -0.34 0.00 0.00 43.02 41.47 3i1k s PHE 211 CO 0.17 -0.52 -0.20 0.00 -1.46 0.00 0.00 175.22 173.21 3i1k s TYR 213 N -1.79 0.44 -0.27 0.00 -0.85 -0.17 -4.97 117.35 109.73 3i1k s TYR 213 Ca 0.15 -0.80 0.00 0.00 -0.52 0.00 0.00 57.07 55.91 3i1k s TYR 213 Cb -0.07 0.17 0.05 0.00 0.38 0.00 0.00 41.96 42.49 3i1k s TYR 213 CO 0.07 -1.02 -0.06 0.42 -1.52 0.00 0.00 175.55 173.44 3i1k s ILE 214 N -3.86 2.59 0.48 -3.49 1.01 -1.26 -1.11 121.20 115.56 3i1k s ILE 214 Ca 0.23 -1.45 -0.03 0.00 0.00 0.00 0.00 60.65 59.40 3i1k s ILE 214 Cb -0.01 -2.48 0.10 0.00 0.01 0.00 0.00 42.46 40.09 3i1k s ILE 214 CO 0.10 -0.03 0.66 -0.90 0.00 0.00 0.00 174.94 174.77 3i1k n ASP 215 N 4.54 0.61 0.00 3.58 5.75 -0.60 -4.85 116.55 125.58 3i1k n ASP 215 Ca -0.14 -1.58 0.00 0.00 -0.01 0.00 0.00 54.79 53.06 3i1k n ASP 215 Cb 0.43 -0.45 0.00 0.00 -1.03 0.00 0.00 41.12 40.07 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 0.21 1.89 7.00 6.12 0.00 -1.26 -3.20 105.19 115.96 3i1k n GLY 216 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.08 -1.79 3.75 -0.02 0.00 -1.26 -0.43 105.19 104.36 3i1k n GLY 217 Ca 0.00 -1.37 -0.34 0.00 0.00 0.00 0.00 46.02 44.31 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 -2.05 3.11 -0.16 0.00 5.36 0.55 -4.40 117.98 120.39 3i1k s PHE 219 Ca 0.72 -0.88 -0.27 0.00 -0.96 0.00 0.00 56.93 55.54 3i1k s PHE 219 Cb -0.25 -2.23 -0.01 0.00 -0.34 0.00 0.00 43.02 40.18 3i1k s PHE 219 CO 0.41 -0.54 0.90 -2.00 -1.46 0.00 0.00 175.22 172.53 3i1k s GLU 220 N 1.51 4.32 -0.03 10.12 2.56 -1.26 -0.63 118.70 135.29 3i1k s GLU 220 Ca 0.04 1.15 -0.01 0.00 0.00 0.00 0.00 54.97 56.14 3i1k s GLU 220 Cb -0.16 -3.57 0.03 0.00 2.00 0.00 0.00 34.13 32.42 3i1k s GLU 220 CO 0.02 -0.36 0.06 -1.64 -0.56 0.00 0.00 175.26 172.78 3i1k s MET 221 N 2.23 -0.02 -1.59 4.30 -1.94 -0.09 -4.92 119.30 117.27 3i1k s MET 221 Ca 0.41 0.25 -0.12 0.00 -1.71 0.00 0.00 55.69 54.53 3i1k s MET 221 Cb -0.17 -0.27 0.10 0.00 2.01 0.00 0.00 34.83 36.50 3i1k s MET 221 CO 0.13 -0.19 0.67 0.43 -0.01 0.00 0.00 175.02 176.05 3i1k n SER 222 N 4.36 -2.39 0.00 3.03 7.64 -1.26 -1.30 113.62 123.70 3i1k n SER 222 Ca -0.24 -0.99 0.00 0.00 1.01 0.00 0.00 58.87 58.64 3i1k n SER 222 Cb 0.50 -2.93 0.00 0.00 -1.01 0.00 0.00 64.21 60.77 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 -1.64 1.22 3.23 0.23 0.00 -1.26 -5.03 105.19 101.94 3i1k n GLY 223 Ca -0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.94 2.38 -0.60 1.61 1.01 -0.42 -5.08 120.40 116.37 3i1k s VAL 224 Ca 0.00 -0.87 -0.21 0.00 0.00 0.00 0.00 61.98 60.90 3i1k s VAL 224 Cb 0.00 -1.98 0.08 0.00 0.00 0.00 0.00 36.38 34.48 3i1k s VAL 224 CO 0.00 0.53 0.82 0.00 0.00 0.00 0.00 175.10 176.45 3i1k s HIS 226 N 3.37 3.73 0.34 0.00 3.76 0.19 -4.68 115.29 122.00 3i1k s HIS 226 Ca 0.18 1.24 -0.28 0.00 -0.15 0.00 0.00 55.06 56.05 3i1k s HIS 226 Cb -0.19 -2.49 -0.12 0.00 1.11 0.00 0.00 32.58 30.89 3i1k s HIS 226 CO 0.10 0.50 1.41 -2.30 -0.85 0.00 0.00 174.74 173.61 3i1k n PRO 227 N 1.30 2.40 -4.15 8.40 -0.02 -1.26 -0.33 135.00 141.33 3i1k n PRO 227 Ca -0.08 0.84 -0.34 0.00 -2.02 0.00 0.00 63.50 61.90 3i1k n PRO 227 Cb 0.51 -2.51 -0.14 0.00 -0.02 0.00 0.00 33.50 31.34 3i1k n PRO 227 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3i1k s PHE 228 N -0.90 2.94 0.00 6.00 5.36 -0.43 -4.73 117.98 126.21 3i1k s PHE 228 Ca 0.56 -0.80 0.00 0.00 -0.96 0.00 0.00 56.93 55.74 3i1k s PHE 228 Cb -0.53 -2.03 0.00 0.00 -0.34 0.00 0.00 43.02 40.12 3i1k s PHE 228 CO 0.60 -0.41 0.00 0.41 -1.46 0.00 0.00 175.22 174.36 3i1k n GLY 229 N 4.36 1.44 3.94 13.12 0.00 -1.26 -0.83 105.19 125.97 3i1k n GLY 229 Ca -0.18 -1.00 0.02 0.00 0.00 0.00 0.00 46.02 44.87 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 0.02 0.10 1.61 -0.85 -0.75 -3.27 117.35 112.21 3i1k s TYR 230 Ca 0.00 -0.14 -0.21 0.00 -0.52 0.00 0.00 57.07 56.20 3i1k s TYR 230 Cb 0.00 0.56 0.05 0.00 0.38 0.00 0.00 41.96 42.95 3i1k s TYR 230 CO 0.00 -0.28 0.52 1.52 -1.52 0.00 0.00 175.55 175.79 3i1k s TYR 231 N -2.07 -0.40 -0.08 -3.49 1.13 -0.16 -1.92 117.35 110.36 3i1k s TYR 231 Ca 0.28 0.28 -0.09 0.00 -1.41 0.00 0.00 57.07 56.13 3i1k s TYR 231 Cb 0.00 0.39 -0.05 0.00 -1.10 0.00 0.00 41.96 41.20 3i1k s TYR 231 CO -0.01 -0.72 0.23 0.71 -2.51 0.00 0.00 175.55 173.25 3i1k s TYR 232 N -3.18 3.64 -0.10 -3.49 2.02 -0.27 -0.64 117.35 115.33 3i1k s TYR 232 Ca -0.01 0.68 -0.19 0.00 -0.37 0.00 0.00 57.07 57.18 3i1k s TYR 232 Cb -0.00 -2.05 0.04 0.00 -0.40 0.00 0.00 41.96 39.55 3i1k s TYR 232 CO -0.08 0.71 0.47 -1.83 -1.57 0.00 0.00 175.55 173.25 3i1k s GLU 233 N -1.07 0.71 0.31 -0.62 -1.05 -0.27 -1.53 118.70 115.17 3i1k s GLU 233 Ca 0.18 0.29 -0.06 0.00 -0.15 0.00 0.00 54.97 55.23 3i1k s GLU 233 Cb -0.14 0.33 0.00 0.00 -0.44 0.00 0.00 34.13 33.89 3i1k s GLU 233 CO 0.07 -0.16 0.48 -1.54 0.95 0.00 0.00 175.26 175.06 3i1k s SER 234 N -0.60 0.50 0.63 0.83 1.04 -0.36 -0.90 113.70 114.84 3i1k s SER 234 Ca -0.07 -1.29 0.34 0.00 0.48 0.00 0.00 55.95 55.41 3i1k s SER 234 Cb -0.03 0.64 1.90 0.00 0.10 0.00 0.00 66.02 68.62 3i1k s SER 234 CO 0.04 -1.25 2.16 -0.65 0.98 0.00 0.00 173.24 174.52 3i1k h PRO 235 N 2.18 0.00 -0.04 4.02 0.11 -2.02 -2.65 132.00 133.59 3i1k h PRO 235 Ca -0.28 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.82 3i1k h PRO 235 Cb 1.24 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 3i1k h PRO 235 CO 0.39 0.00 -0.03 -1.13 -0.21 0.00 0.00 178.00 177.02 3i1k n SER 236 N -3.43 2.55 -3.70 -2.05 3.41 -1.26 -5.03 113.62 104.12 3i1k n SER 236 Ca -0.01 -3.13 -0.14 0.00 -0.26 0.00 0.00 58.87 55.33 3i1k n SER 236 Cb 0.24 -0.46 -0.09 0.00 -0.26 0.00 0.00 64.21 63.64 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 -2.90 -0.50 -0.06 7.33 5.36 -1.00 -5.13 117.98 121.08 3i1k s PHE 237 Ca 0.34 1.16 -0.04 0.00 -0.96 0.00 0.00 56.93 57.43 3i1k s PHE 237 Cb 0.30 0.19 0.02 0.00 -0.34 0.00 0.00 43.02 43.19 3i1k s PHE 237 CO 0.03 -0.31 0.15 -0.47 -1.46 0.00 0.00 175.22 173.17 3i1k s TYR 238 N -0.08 -0.17 -0.18 10.12 5.04 -1.26 -1.22 117.35 129.59 3i1k s TYR 238 Ca -0.03 0.45 -0.09 0.00 -2.44 0.00 0.00 57.07 54.96 3i1k s TYR 238 Cb -0.03 0.01 0.07 0.00 0.35 0.00 0.00 41.96 42.36 3i1k s TYR 238 CO 0.02 -0.11 0.43 -1.58 -1.34 0.00 0.00 175.55 172.97 3i1k s HIS 239 N 0.47 -0.69 0.25 4.97 2.46 -0.58 -5.01 115.29 117.15 3i1k s HIS 239 Ca -0.03 1.41 -0.06 0.00 0.47 0.00 0.00 55.06 56.84 3i1k s HIS 239 Cb -0.05 0.30 -0.02 0.00 -0.13 0.00 0.00 32.58 32.69 3i1k s HIS 239 CO -0.02 -0.39 0.34 0.20 -2.47 0.00 0.00 174.74 172.40 3i1k s GLY 240 N 1.71 1.06 -0.07 1.59 0.00 -1.26 -1.12 107.32 109.23 3i1k s GLY 240 Ca -0.08 -1.31 -0.14 0.00 0.00 0.00 0.00 44.72 43.20 3i1k s GLY 240 CO -0.13 -0.99 0.34 -0.12 0.00 0.00 0.00 173.10 172.19 3i1k s PHE 241 N -3.92 -0.29 -0.23 1.90 5.36 -0.81 -5.01 117.98 114.98 3i1k s PHE 241 Ca 0.30 0.62 -0.18 0.00 -0.96 0.00 0.00 56.93 56.71 3i1k s PHE 241 Cb 0.02 0.12 0.06 0.00 -0.34 0.00 0.00 43.02 42.88 3i1k s PHE 241 CO 0.12 -0.29 0.58 -0.47 -1.46 0.00 0.00 175.22 173.70 3i1k s TYR 242 N -0.56 -0.73 -0.07 10.12 5.04 -1.26 -1.80 117.35 128.09 3i1k s TYR 242 Ca -0.07 1.65 -0.08 0.00 -2.44 0.00 0.00 57.07 56.13 3i1k s TYR 242 Cb -0.04 0.32 0.02 0.00 0.35 0.00 0.00 41.96 42.61 3i1k s TYR 242 CO 0.02 -0.36 0.22 -0.08 -1.34 0.00 0.00 175.55 174.01 3i1k s THR 243 N 0.76 0.02 -0.06 4.34 -1.32 -0.01 -4.99 115.64 114.39 3i1k s THR 243 Ca -0.04 -0.13 0.25 0.00 -1.21 0.00 0.00 61.69 60.56 3i1k s THR 243 Cb -0.05 -0.36 0.44 0.00 -1.51 0.00 0.00 72.50 71.02 3i1k s THR 243 CO -0.06 -0.07 1.16 -3.20 -2.21 0.00 0.00 174.62 170.24 3i1k n ASN 244 N 2.63 1.10 -3.84 8.08 5.15 -1.26 -1.32 115.26 125.80 3i1k n ASN 244 Ca -0.15 -2.00 -0.30 0.00 -0.60 0.00 0.00 54.58 51.53 3i1k n ASN 244 Cb 0.58 -0.33 0.23 0.00 -0.53 0.00 0.00 39.78 39.72 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 -2.38 1.70 0.39 8.20 0.00 -1.26 -4.63 107.32 109.34 3i1k s GLY 245 Ca 0.32 -1.16 -0.27 0.00 0.00 0.00 0.00 44.72 43.61 3i1k s GLY 245 CO -0.14 -0.29 1.44 -0.51 0.00 0.00 0.00 173.10 173.60 3i1k s THR 246 N -3.47 2.16 0.24 0.90 -4.23 -1.26 -1.36 115.64 108.62 3i1k s THR 246 Ca 0.74 0.16 -0.31 0.00 -1.18 0.00 0.00 61.69 61.10 3i1k s THR 246 Cb -0.05 -3.10 -0.14 0.00 1.34 0.00 0.00 72.50 70.55 3i1k s THR 246 CO 0.55 0.03 1.24 0.00 -0.54 0.00 0.00 174.62 175.90 3i1k n ALA 247 N 0.29 0.26 -3.00 3.99 0.00 -1.26 -4.28 120.51 116.51 3i1k n ALA 247 Ca 0.02 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.88 3i1k n ALA 247 Cb 0.40 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.71 3i1k n ALA 247 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1k n GLY 248 N 1.80 5.08 3.71 0.00 0.00 0.43 -4.96 105.19 111.25 3i1k n GLY 248 Ca 0.12 -1.36 -0.42 0.00 0.00 0.00 0.00 46.02 44.36 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 4.38 -0.13 0.99 0.20 -1.26 -4.86 118.68 118.00 3i1k s LEU 249 Ca 0.00 2.84 -0.09 0.00 0.69 0.00 0.00 54.13 57.57 3i1k s LEU 249 Cb 0.00 -3.59 -0.04 0.00 -0.43 0.00 0.00 46.19 42.13 3i1k s LEU 249 CO 0.00 -0.99 0.18 -1.00 -0.29 0.00 0.00 176.35 174.25 3i1k s HIS 250 N 1.73 3.56 -0.05 5.38 3.76 -1.26 -4.10 115.29 124.31 3i1k s HIS 250 Ca 0.77 0.55 0.03 0.00 -0.15 0.00 0.00 55.06 56.26 3i1k s HIS 250 Cb -0.49 -2.06 0.01 0.00 1.11 0.00 0.00 32.58 31.15 3i1k s HIS 250 CO 0.34 0.59 -0.12 -1.12 -0.85 0.00 0.00 174.74 173.57 3i1k s SER 251 N -0.61 1.69 -0.47 1.40 0.01 -1.19 -0.68 113.70 113.85 3i1k s SER 251 Ca 0.15 -0.28 -0.26 0.00 1.31 0.00 0.00 55.95 56.87 3i1k s SER 251 Cb -0.12 -0.60 0.03 0.00 0.21 0.00 0.00 66.02 65.53 3i1k s SER 251 CO 0.04 0.07 0.98 -0.47 0.41 0.00 0.00 173.24 174.27 3i1k s TYR 252 N 0.36 2.89 -0.02 2.43 5.04 -1.26 -1.56 117.35 125.23 3i1k s TYR 252 Ca -0.08 0.48 0.07 0.00 -2.44 0.00 0.00 57.07 55.10 3i1k s TYR 252 Cb -0.12 -4.10 -0.02 0.00 0.35 0.00 0.00 41.96 38.07 3i1k s TYR 252 CO 0.02 -1.15 -0.24 0.42 -1.34 0.00 0.00 175.55 173.26 3i1k s ILE 253 N 3.94 2.21 -0.05 3.14 1.01 -0.27 -4.91 121.20 126.28 3i1k s ILE 253 Ca 0.40 -1.06 0.06 0.00 0.00 0.00 0.00 60.65 60.05 3i1k s ILE 253 Cb -0.09 -1.78 -0.01 0.00 0.01 0.00 0.00 42.46 40.59 3i1k s ILE 253 CO 0.28 0.58 -0.24 0.00 0.00 0.00 0.00 174.94 175.55 3i1k s ASP 255 N -0.24 5.86 -0.21 0.00 1.01 0.11 -4.85 116.67 118.35 3i1k s ASP 255 Ca -0.01 0.17 0.02 0.00 0.71 0.00 0.00 52.55 53.44 3i1k s ASP 255 Cb -0.12 -1.71 0.03 0.00 1.01 0.00 0.00 42.92 42.13 3i1k s ASP 255 CO 0.02 0.24 -0.16 -0.31 0.21 0.00 0.00 175.17 175.17 3i1k s TYR 256 N -1.30 2.98 -0.02 4.23 1.51 -1.26 -0.56 117.35 122.93 3i1k s TYR 256 Ca 0.26 -1.89 0.01 0.00 -1.01 0.00 0.00 57.07 54.44 3i1k s TYR 256 Cb -0.12 -1.93 -0.04 0.00 -0.11 0.00 0.00 41.96 39.76 3i1k s TYR 256 CO 0.18 -0.83 0.00 -0.51 -1.11 0.00 0.00 175.55 173.28 3i1k s LEU 257 N 1.22 3.52 -0.29 -1.29 1.43 0.16 -4.93 118.68 118.51 3i1k s LEU 257 Ca -0.00 0.02 -0.15 0.00 -1.03 0.00 0.00 54.13 52.97 3i1k s LEU 257 Cb -0.16 -1.98 -0.03 0.00 0.03 0.00 0.00 46.19 44.05 3i1k s LEU 257 CO -0.10 0.30 0.37 -0.70 0.23 0.00 0.00 176.35 176.45 3i1k s GLU 258 N -1.42 3.92 -0.03 1.70 2.12 -1.26 -1.17 118.70 122.55 3i1k s GLU 258 Ca 0.18 -0.06 0.04 0.00 0.36 0.00 0.00 54.97 55.49 3i1k s GLU 258 Cb -0.11 -3.69 -0.00 0.00 0.26 0.00 0.00 34.13 30.58 3i1k s GLU 258 CO 0.09 -0.33 -0.14 -1.64 -0.54 0.00 0.00 175.26 172.69 3i1k s MET 259 N 2.07 1.43 0.60 4.30 -1.94 0.45 -4.95 119.30 121.25 3i1k s MET 259 Ca 0.14 -0.50 -0.17 0.00 -1.71 0.00 0.00 55.69 53.46 3i1k s MET 259 Cb -0.16 -1.28 -0.03 0.00 2.01 0.00 0.00 34.83 35.37 3i1k s MET 259 CO 0.10 0.22 1.10 0.15 -0.01 0.00 0.00 175.02 176.58 3i1k s LYS 260 N 0.02 3.17 0.65 2.03 1.02 -1.26 -0.57 119.74 124.80 3i1k s LYS 260 Ca -0.02 1.40 -0.18 0.00 0.02 0.00 0.00 55.97 57.20 3i1k s LYS 260 Cb -0.10 -2.00 -0.01 0.00 -0.52 0.00 0.00 37.83 35.20 3i1k s LYS 260 CO 0.01 -0.96 1.15 -0.35 -0.92 0.00 0.00 175.35 174.29 3i1k n PRO 261 N -1.88 0.92 -0.76 -1.68 -0.04 -1.26 -4.86 135.00 125.44 3i1k n PRO 261 Ca 0.10 0.37 0.00 0.00 -0.04 0.00 0.00 63.50 63.93 3i1k n PRO 261 Cb 0.52 -2.38 0.00 0.00 -0.04 0.00 0.00 33.50 31.59 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 1.04 0.61 3.69 0.55 0.00 0.12 -4.96 105.19 106.23 3i1k n GLY 262 Ca 0.15 -1.76 -0.35 0.00 0.00 0.00 0.00 46.02 44.06 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 -2.51 4.66 0.13 1.61 1.01 -1.26 -0.88 120.40 123.15 3i1k s VAL 263 Ca 0.00 -0.10 0.02 0.00 0.00 0.00 0.00 61.98 61.90 3i1k s VAL 263 Cb 0.00 -3.03 -0.04 0.00 0.00 0.00 0.00 36.38 33.31 3i1k s VAL 263 CO 0.00 0.55 -0.05 -0.31 0.00 0.00 0.00 175.10 175.29 3i1k s TYR 264 N -0.38 1.06 0.03 5.22 2.02 -0.04 -4.83 117.35 120.44 3i1k s TYR 264 Ca 0.09 -0.91 0.04 0.00 -0.37 0.00 0.00 57.07 55.91 3i1k s TYR 264 Cb -0.12 -0.59 -0.04 0.00 -0.40 0.00 0.00 41.96 40.81 3i1k s TYR 264 CO 0.02 -0.12 -0.04 -0.80 -1.57 0.00 0.00 175.55 173.04 3i1k s ASN 265 N -3.11 4.79 -0.17 2.29 -0.87 -0.08 -0.80 114.94 117.00 3i1k s ASN 265 Ca 0.16 -0.15 -0.06 0.00 -1.57 0.00 0.00 52.86 51.24 3i1k s ASN 265 Cb 0.05 -1.13 -0.04 0.00 -0.02 0.00 0.00 41.25 40.11 3i1k s ASN 265 CO -0.01 0.25 0.03 0.00 -2.57 0.00 0.00 177.10 174.80 3i1k s ALA 266 N -1.11 3.29 -0.00 0.60 0.00 0.44 -1.11 121.76 123.86 3i1k s ALA 266 Ca 0.20 -0.76 0.03 0.00 0.00 0.00 0.00 51.96 51.42 3i1k s ALA 266 Cb -0.11 -1.80 -0.01 0.00 0.00 0.00 0.00 23.12 21.19 3i1k s ALA 266 CO 0.11 0.20 -0.09 0.99 0.00 0.00 0.00 175.76 176.97 3i1k s THR 267 N 0.34 0.73 0.17 0.00 2.01 0.19 -1.29 115.64 117.79 3i1k s THR 267 Ca 0.01 -0.43 -0.00 0.00 0.31 0.00 0.00 61.69 61.57 3i1k s THR 267 Cb -0.13 -0.62 -0.04 0.00 0.01 0.00 0.00 72.50 71.72 3i1k s THR 267 CO 0.01 0.18 0.35 0.28 -0.69 0.00 0.00 174.62 174.75 3i1k s THR 268 N -0.27 5.25 -0.67 -0.82 -1.32 -1.01 -0.99 115.64 115.80 3i1k s THR 268 Ca 0.03 -0.40 0.24 0.00 -1.21 0.00 0.00 61.69 60.35 3i1k s THR 268 Cb -0.04 -3.71 0.01 0.00 -1.51 0.00 0.00 72.50 67.25 3i1k s THR 268 CO -0.00 -0.10 1.27 0.49 -2.21 0.00 0.00 174.62 174.07 3i1k n PHE 269 N -0.46 0.44 0.00 9.09 3.01 -1.20 -4.72 117.46 123.61 3i1k n PHE 269 Ca -0.05 0.13 0.00 0.00 1.01 0.00 0.00 57.45 58.54 3i1k n PHE 269 Cb 0.53 -0.57 0.00 0.00 -0.01 0.00 0.00 39.48 39.43 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 1.36 0.98 0.01 1.37 0.00 -1.25 -4.90 105.19 102.76 3i1k n GLY 270 Ca 0.03 -0.04 0.02 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 0.87 -4.22 1.61 3.00 -1.26 -0.80 118.16 117.35 3i1k n LYS 271 Ca 0.00 -0.05 -0.18 0.00 -0.00 0.00 0.00 58.31 58.08 3i1k n LYS 271 Cb 0.00 -1.19 -0.13 0.00 0.00 0.00 0.00 35.03 33.72 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 -2.45 1.07 -0.13 5.64 0.40 -1.26 -1.45 117.98 119.80 3i1k s PHE 272 Ca -0.03 -0.40 -0.16 0.00 -0.60 0.00 0.00 56.93 55.74 3i1k s PHE 272 Cb 0.04 -0.62 0.04 0.00 0.51 0.00 0.00 43.02 42.99 3i1k s PHE 272 CO 0.32 0.02 0.43 -1.17 0.70 0.00 0.00 175.22 175.52 3i1k s LEU 273 N -1.36 0.36 0.10 -0.37 0.20 -0.72 -4.31 118.68 112.58 3i1k s LEU 273 Ca -0.02 0.71 0.10 0.00 0.69 0.00 0.00 54.13 55.61 3i1k s LEU 273 Cb -0.09 1.54 -0.04 0.00 -0.43 0.00 0.00 46.19 47.17 3i1k s LEU 273 CO 0.01 -0.25 -0.26 0.27 -0.29 0.00 0.00 176.35 175.84 3i1k s ILE 274 N -0.20 2.30 0.01 6.68 -4.36 -1.26 -0.23 121.20 124.15 3i1k s ILE 274 Ca -0.04 -1.60 0.02 0.00 -0.26 0.00 0.00 60.65 58.78 3i1k s ILE 274 Cb -0.03 -1.98 -0.01 0.00 1.25 0.00 0.00 42.46 41.68 3i1k s ILE 274 CO 0.02 0.19 -0.06 -0.72 0.24 0.00 0.00 174.94 174.61 3i1k s TYR 275 N -0.98 0.54 0.40 1.37 -0.85 -0.74 -4.80 117.35 112.28 3i1k s TYR 275 Ca 0.14 -0.24 -0.23 0.00 -0.52 0.00 0.00 57.07 56.21 3i1k s TYR 275 Cb -0.10 -0.34 -0.09 0.00 0.38 0.00 0.00 41.96 41.81 3i1k s TYR 275 CO 0.05 -0.04 1.01 -1.25 -1.52 0.00 0.00 175.55 173.80 3i1k s PRO 276 N -0.65 4.23 0.00 -3.49 0.04 -1.26 -0.74 135.00 133.13 3i1k s PRO 276 Ca -0.02 1.38 0.04 0.00 0.04 0.00 0.00 61.00 62.43 3i1k s PRO 276 Cb -0.05 -2.48 -0.04 0.00 0.04 0.00 0.00 34.50 31.97 3i1k s PRO 276 CO 0.00 -0.06 0.17 0.25 0.04 0.00 0.00 177.00 177.41 3i1k n THR 277 N -0.14 0.00 -3.81 1.26 -2.24 -1.26 -4.90 114.28 103.20 3i1k n THR 277 Ca 0.05 -0.41 -0.10 0.00 -2.27 0.00 0.00 64.05 61.32 3i1k n THR 277 Cb 0.51 1.00 -0.07 0.00 -2.10 0.00 0.00 70.33 69.67 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 -1.32 0.83 0.16 -0.78 1.02 -1.26 -0.58 119.74 117.81 3i1k s LYS 278 Ca 0.02 -0.76 -0.09 0.00 0.02 0.00 0.00 55.97 55.15 3i1k s LYS 278 Cb 0.03 0.35 -0.01 0.00 -0.52 0.00 0.00 37.83 37.68 3i1k s LYS 278 CO 0.15 -0.27 0.29 -1.54 -0.92 0.00 0.00 175.35 173.06 3i1k s SER 279 N -2.52 0.03 -0.37 2.83 1.04 -0.84 -4.72 113.70 109.16 3i1k s SER 279 Ca 0.00 -0.84 -0.17 0.00 0.48 0.00 0.00 55.95 55.42 3i1k s SER 279 Cb 0.02 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.58 3i1k s SER 279 CO -0.08 -0.89 0.44 -0.31 0.98 0.00 0.00 173.24 173.38 3i1k s TYR 280 N -3.96 3.18 -0.13 5.02 1.51 -0.79 -1.22 117.35 120.97 3i1k s TYR 280 Ca 0.16 -0.06 -0.27 0.00 -1.01 0.00 0.00 57.07 55.89 3i1k s TYR 280 Cb 0.03 -2.84 -0.01 0.00 -0.11 0.00 0.00 41.96 39.03 3i1k s TYR 280 CO -0.01 -0.56 0.90 0.00 -1.11 0.00 0.00 175.55 174.78 3i1k s MET 282 N 1.99 0.98 0.10 0.00 -1.94 -0.07 -1.60 119.30 118.75 3i1k s MET 282 Ca 0.43 -0.88 0.01 0.00 -1.71 0.00 0.00 55.69 53.53 3i1k s MET 282 Cb -0.17 -1.04 0.02 0.00 2.01 0.00 0.00 34.83 35.64 3i1k s MET 282 CO 0.15 0.25 0.14 -0.40 -0.01 0.00 0.00 175.02 175.15 3i1k n ASP 283 N 1.63 0.25 -4.03 3.03 5.68 -1.11 -1.06 116.55 120.94 3i1k n ASP 283 Ca -0.19 -1.20 -0.25 0.00 -0.50 0.00 0.00 54.79 52.65 3i1k n ASP 283 Cb 0.54 -0.08 -0.17 0.00 -1.14 0.00 0.00 41.12 40.27 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 0.03 1.18 0.07 2.12 2.01 -1.26 -4.12 115.64 115.66 3i1k s THR 284 Ca 0.10 -0.51 0.04 0.00 0.31 0.00 0.00 61.69 61.63 3i1k s THR 284 Cb -0.01 -1.07 -0.04 0.00 0.01 0.00 0.00 72.50 71.39 3i1k s THR 284 CO 0.06 0.36 0.02 0.00 -0.69 0.00 0.00 174.62 174.38 3i1k s MET 285 N 0.63 2.68 0.40 4.92 0.23 -0.23 -4.81 119.30 123.11 3i1k s MET 285 Ca -0.14 -0.75 0.24 0.00 -1.03 0.00 0.00 55.69 54.00 3i1k s MET 285 Cb -0.16 -2.61 0.42 0.00 -1.53 0.00 0.00 34.83 30.95 3i1k s MET 285 CO 0.04 0.56 1.64 -0.91 -2.03 0.00 0.00 175.02 174.32 3i1k h ASN 286 N 3.60 0.00 -3.63 -1.18 2.35 -1.99 -3.42 115.58 111.32 3i1k h ASN 286 Ca -0.48 0.00 -0.68 0.00 -0.55 0.00 0.00 56.30 54.59 3i1k h ASN 286 Cb 1.17 0.00 -0.24 0.00 0.05 0.00 0.00 38.32 39.29 3i1k h ASN 286 CO 0.61 0.00 -0.58 -0.47 -1.65 0.00 0.00 177.43 175.34 3i1k s TYR 287 N -3.19 3.17 0.05 1.19 6.14 -1.26 -5.07 117.35 118.38 3i1k s TYR 287 Ca 0.08 -0.78 -0.31 0.00 0.64 0.00 0.00 57.07 56.70 3i1k s TYR 287 Cb 0.06 -2.32 -0.07 0.00 0.42 0.00 0.00 41.96 40.05 3i1k s TYR 287 CO 0.66 -0.52 1.40 0.99 0.64 0.00 0.00 175.55 178.72 3i1k s THR 288 N 1.56 3.52 -0.13 4.34 2.01 -1.26 -4.93 115.64 120.74 3i1k s THR 288 Ca 0.03 1.01 0.02 0.00 0.31 0.00 0.00 61.69 63.06 3i1k s THR 288 Cb -0.17 -3.65 0.01 0.00 0.01 0.00 0.00 72.50 68.71 3i1k s THR 288 CO 0.05 0.03 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.13 3i1k s VAL 289 N 1.83 1.83 0.29 3.82 1.01 -0.86 -5.04 120.40 123.28 3i1k s VAL 289 Ca 0.65 -0.83 -0.30 0.00 0.00 0.00 0.00 61.98 61.50 3i1k s VAL 289 Cb -0.34 -1.64 -0.13 0.00 0.00 0.00 0.00 36.38 34.27 3i1k s VAL 289 CO 0.29 0.50 1.36 -2.65 0.00 0.00 0.00 175.10 174.60 3i1k n PRO 290 N 4.25 2.11 -2.01 2.72 -0.02 -1.26 -4.42 135.00 136.36 3i1k n PRO 290 Ca -0.19 0.74 -0.28 0.00 -2.02 0.00 0.00 63.50 61.74 3i1k n PRO 290 Cb 0.51 -2.37 0.07 0.00 -0.02 0.00 0.00 33.50 31.69 3i1k n PRO 290 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3i1k s VAL 291 N -0.55 2.68 -0.02 -1.45 -7.23 -0.85 -4.74 120.40 108.24 3i1k s VAL 291 Ca 0.62 0.10 0.07 0.00 -1.81 0.00 0.00 61.98 60.96 3i1k s VAL 291 Cb -0.60 -3.20 -0.02 0.00 0.56 0.00 0.00 36.38 33.12 3i1k s VAL 291 CO 0.56 -0.24 -0.25 -1.10 -0.31 0.00 0.00 175.10 173.76 3i1k s GLN 292 N -5.39 2.06 -0.01 4.82 -0.21 0.01 -0.48 119.66 120.46 3i1k s GLN 292 Ca 0.60 -0.88 0.01 0.00 0.02 0.00 0.00 55.36 55.10 3i1k s GLN 292 Cb -0.11 -1.96 0.01 0.00 1.00 0.00 0.00 33.01 31.95 3i1k s GLN 292 CO 0.49 0.51 -0.02 0.00 -2.12 0.00 0.00 175.29 174.14 3i1k s ALA 293 N -0.53 0.30 -0.07 6.09 0.00 -0.70 -0.31 121.76 126.53 3i1k s ALA 293 Ca 0.08 -0.05 0.01 0.00 0.00 0.00 0.00 51.96 52.00 3i1k s ALA 293 Cb -0.10 -0.15 -0.03 0.00 0.00 0.00 0.00 23.12 22.84 3i1k s ALA 293 CO -0.00 0.03 -0.07 0.08 0.00 0.00 0.00 175.76 175.79 3i1k s VAL 294 N 0.26 3.64 0.03 0.00 1.01 -0.46 -1.31 120.40 123.57 3i1k s VAL 294 Ca -0.02 -0.50 -0.34 0.00 0.00 0.00 0.00 61.98 61.12 3i1k s VAL 294 Cb -0.05 -2.49 -0.13 0.00 0.00 0.00 0.00 36.38 33.71 3i1k s VAL 294 CO -0.01 0.59 1.73 1.67 0.00 0.00 0.00 175.10 179.08 3i1k n GLN 295 N 2.36 2.14 -3.82 2.72 -0.06 -0.95 -4.58 117.38 115.18 3i1k n GLN 295 Ca -0.18 0.78 -0.35 0.00 -2.00 0.00 0.00 57.00 55.25 3i1k n GLN 295 Cb 0.53 -2.58 -0.12 0.00 -4.06 0.00 0.00 30.24 24.00 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 2.55 5.16 0.27 1.69 0.15 -1.26 -4.84 113.70 117.41 3i1k s SER 296 Ca 0.86 -2.05 0.02 0.00 0.70 0.00 0.00 55.95 55.49 3i1k s SER 296 Cb -0.69 -1.79 -0.04 0.00 -1.71 0.00 0.00 66.02 61.79 3i1k s SER 296 CO 0.45 -0.51 0.16 0.27 1.20 0.00 0.00 173.24 174.81 3i1k s ILE 297 N 1.10 0.21 0.48 6.45 -4.36 -1.26 -3.91 121.20 119.91 3i1k s ILE 297 Ca 0.09 -2.00 0.05 0.00 -0.26 0.00 0.00 60.65 58.53 3i1k s ILE 297 Cb -0.22 -2.52 0.02 0.00 1.25 0.00 0.00 42.46 40.99 3i1k s ILE 297 CO -0.05 0.00 0.66 0.26 0.24 0.00 0.00 174.94 176.05 3i1k s TRP 298 N -3.78 2.83 1.09 1.37 0.23 -1.26 -4.98 118.94 114.44 3i1k s TRP 298 Ca 0.38 -0.23 -0.12 0.00 -2.03 0.00 0.00 56.10 54.10 3i1k s TRP 298 Cb 0.06 -2.54 0.24 0.00 0.03 0.00 0.00 33.47 31.25 3i1k s TRP 298 CO 0.17 -0.62 1.06 -1.13 0.96 0.00 0.00 176.95 177.39 3i1k n SER 299 N -2.07 -1.02 0.16 2.95 3.41 -1.26 -4.51 113.62 111.28 3i1k n SER 299 Ca 0.08 0.04 0.12 0.00 -0.26 0.00 0.00 58.87 58.85 3i1k n SER 299 Cb 0.59 -1.34 0.55 0.00 -0.26 0.00 0.00 64.21 63.76 3i1k n SER 299 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3i1k h GLU 300 N -2.42 0.00 -0.32 4.33 5.08 -1.94 -2.64 114.58 116.66 3i1k h GLU 300 Ca -0.55 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.81 3i1k h GLU 300 Cb 1.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.56 3i1k h GLU 300 CO 0.46 0.00 0.00 0.27 -1.00 0.00 0.00 179.01 178.74 3i1k n ASN 301 N -2.33 1.39 -4.28 1.42 0.23 -1.26 -4.83 115.26 105.60 3i1k n ASN 301 Ca 0.01 -2.04 -0.17 0.00 -0.53 0.00 0.00 54.58 51.85 3i1k n ASN 301 Cb 0.18 -0.21 -0.10 0.00 -2.08 0.00 0.00 39.78 37.57 3i1k n ASN 301 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 3i1k s ARG 302 N -1.67 1.14 -0.42 -3.83 0.52 -1.00 -5.11 118.95 108.56 3i1k s ARG 302 Ca 0.15 -1.41 -0.27 0.00 -0.52 0.00 0.00 55.73 53.68 3i1k s ARG 302 Cb 0.09 -0.91 0.02 0.00 0.52 0.00 0.00 34.95 34.67 3i1k s ARG 302 CO 0.09 0.15 1.02 -0.65 0.02 0.00 0.00 175.30 175.94 3i1k s GLN 303 N -3.26 3.76 0.63 3.54 -0.21 -1.26 -4.86 119.66 117.99 3i1k s GLN 303 Ca 0.15 0.54 0.05 0.00 0.02 0.00 0.00 55.36 56.13 3i1k s GLN 303 Cb -0.02 -3.86 0.10 0.00 1.00 0.00 0.00 33.01 30.24 3i1k s GLN 303 CO 0.04 -1.16 0.87 -1.12 -2.12 0.00 0.00 175.29 171.80 3i1k s SER 304 N 2.14 4.79 0.22 5.90 0.01 -1.26 -1.84 113.70 123.67 3i1k s SER 304 Ca 0.42 -0.65 0.00 0.00 1.31 0.00 0.00 55.95 57.04 3i1k s SER 304 Cb -0.10 0.17 -0.05 0.00 0.21 0.00 0.00 66.02 66.25 3i1k s SER 304 CO 0.25 -1.55 0.09 1.51 0.41 0.00 0.00 173.24 173.95 3i1k s ASP 305 N -4.69 0.83 -0.55 2.44 3.84 -1.26 -4.67 116.67 112.60 3i1k s ASP 305 Ca 0.64 -1.35 0.01 0.00 -0.00 0.00 0.00 52.55 51.85 3i1k s ASP 305 Cb -0.06 0.23 0.49 0.00 -1.38 0.00 0.00 42.92 42.21 3i1k s ASP 305 CO 0.41 -0.74 1.85 -0.67 -0.00 0.00 0.00 175.17 176.02 3i1k n ASP 306 N -0.35 6.30 -0.29 2.11 2.03 -1.26 -4.74 116.55 120.35 3i1k n ASP 306 Ca -0.01 -3.76 -0.01 0.00 0.52 0.00 0.00 54.79 51.54 3i1k n ASP 306 Cb 0.66 -0.84 0.17 0.00 -0.72 0.00 0.00 41.12 40.39 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 1.80 1.34 -0.52 -1.67 0.00 -1.96 -1.48 119.26 116.77 3i1k h ALA 307 Ca 0.55 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.31 3i1k h ALA 307 Cb 1.31 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 3i1k h ALA 307 CO 1.31 0.59 0.04 0.82 0.00 0.00 0.00 179.25 182.01 3i1k h ILE 308 N 1.17 1.26 -0.22 0.00 1.08 -1.94 0.05 117.51 118.90 3i1k h ILE 308 Ca 0.31 -1.02 -0.10 0.00 -0.39 0.00 0.00 64.86 63.66 3i1k h ILE 308 Cb -0.09 0.90 -0.01 0.00 -3.07 0.00 0.00 36.82 34.55 3i1k h ILE 308 CO -0.06 0.36 -0.29 1.23 -0.69 0.00 0.00 178.15 178.70 3i1k h GLY 309 N 0.76 0.47 1.54 5.37 0.00 -1.81 0.57 103.07 109.97 3i1k h GLY 309 Ca 0.15 -0.40 -0.14 0.00 0.00 0.00 0.00 47.33 46.95 3i1k h GLY 309 CO 0.02 0.36 -0.46 1.46 0.00 0.00 0.00 176.54 177.92 3i1k h GLN 310 N 0.38 0.50 0.02 4.80 4.20 -0.99 -3.35 115.11 120.67 3i1k h GLN 310 Ca 0.05 -0.27 -0.27 0.00 0.06 0.00 0.00 58.65 58.22 3i1k h GLN 310 Cb 0.70 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.46 3i1k h GLN 310 CO 0.05 0.86 -1.44 0.00 -0.67 0.00 0.00 178.83 177.63 3i1k h ALA 311 N 1.10 0.54 -1.68 3.87 0.00 -0.60 -3.42 119.26 119.07 3i1k h ALA 311 Ca 0.03 -1.22 -0.69 0.00 0.00 0.00 0.00 54.91 53.02 3i1k h ALA 311 Cb 0.96 0.24 -0.16 0.00 0.00 0.00 0.00 17.79 18.83 3i1k h ALA 311 CO 0.08 1.40 1.16 0.00 0.00 0.00 0.00 179.25 181.90 3i1k s LYS 313 N 2.76 1.86 0.43 0.00 -0.14 -1.26 -4.40 119.74 119.00 3i1k s LYS 313 Ca 0.39 -1.09 -0.26 0.00 -1.36 0.00 0.00 55.97 53.65 3i1k s LYS 313 Cb -0.03 -2.05 -0.09 0.00 -1.68 0.00 0.00 37.83 33.98 3i1k s LYS 313 CO -0.06 0.52 1.45 0.45 -0.76 0.00 0.00 175.35 176.94 3i1k s SER 314 N -1.42 5.98 0.00 2.83 0.15 -1.23 -1.94 113.70 118.07 3i1k s SER 314 Ca 0.13 2.96 0.20 0.00 0.70 0.00 0.00 55.95 59.94 3i1k s SER 314 Cb -0.10 -2.66 0.42 0.00 -1.71 0.00 0.00 66.02 61.97 3i1k s SER 314 CO 0.04 -1.11 1.35 -0.81 1.20 0.00 0.00 173.24 173.91 3i1k n PRO 315 N -0.04 2.45 0.00 5.44 -0.04 -1.26 -4.88 135.00 136.66 3i1k n PRO 315 Ca 0.04 -2.23 0.11 0.00 -0.04 0.00 0.00 63.50 61.38 3i1k n PRO 315 Cb 0.41 -1.45 -0.04 0.00 -0.04 0.00 0.00 33.50 32.38 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 1.26 0.04 -3.81 0.54 0.18 -0.97 -4.70 117.16 109.71 3i1k n TYR 316 Ca 0.18 0.01 -0.12 0.00 1.88 0.00 0.00 57.90 59.85 3i1k n TYR 316 Cb 0.55 -0.15 -0.12 0.00 -0.38 0.00 0.00 39.34 39.24 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 -0.05 3.53 -0.21 0.00 1.01 0.36 -3.49 121.20 122.36 3i1k s ILE 318 Ca -0.01 -1.11 -0.19 0.00 0.00 0.00 0.00 60.65 59.33 3i1k s ILE 318 Cb -0.02 -2.96 -0.03 0.00 0.01 0.00 0.00 42.46 39.46 3i1k s ILE 318 CO 0.00 -0.08 0.56 0.12 0.00 0.00 0.00 174.94 175.54 3i1k s PHE 319 N 1.37 3.36 -0.51 3.97 5.36 -1.26 -1.72 117.98 128.54 3i1k s PHE 319 Ca -0.02 0.81 -0.10 0.00 -0.96 0.00 0.00 56.93 56.66 3i1k s PHE 319 Cb -0.19 -2.73 0.13 0.00 -0.34 0.00 0.00 43.02 39.89 3i1k s PHE 319 CO 0.01 -0.16 0.40 0.71 -1.46 0.00 0.00 175.22 174.73 3i1k s TYR 320 N 1.85 3.42 0.53 10.12 2.02 -0.43 -4.99 117.35 129.87 3i1k s TYR 320 Ca 0.25 -1.82 -0.16 0.00 -0.37 0.00 0.00 57.07 54.97 3i1k s TYR 320 Cb -0.16 -3.56 -0.07 0.00 -0.40 0.00 0.00 41.96 37.77 3i1k s TYR 320 CO 0.10 -0.99 0.99 1.21 -1.57 0.00 0.00 175.55 175.29 3i1k s ASN 321 N 2.71 6.54 0.12 2.29 3.84 -1.26 -2.25 114.94 126.93 3i1k s ASN 321 Ca 0.07 1.56 -0.28 0.00 0.21 0.00 0.00 52.86 54.42 3i1k s ASN 321 Cb -0.26 -2.50 -0.07 0.00 -0.55 0.00 0.00 41.25 37.87 3i1k s ASN 321 CO -0.01 -0.65 0.87 -0.54 -2.79 0.00 0.00 177.10 173.99 3i1k s LYS 322 N -4.21 4.64 0.03 0.43 1.02 -1.26 -4.89 119.74 115.49 3i1k s LYS 322 Ca 0.59 1.30 0.22 0.00 0.02 0.00 0.00 55.97 58.10 3i1k s LYS 322 Cb -0.10 -3.34 -0.12 0.00 -0.52 0.00 0.00 37.83 33.75 3i1k s LYS 322 CO 0.34 0.34 0.85 0.25 -0.92 0.00 0.00 175.35 176.21 3i1k n THR 323 N 2.41 0.11 -4.20 2.17 -2.24 -1.26 -4.97 114.28 106.30 3i1k n THR 323 Ca -0.01 -0.28 -0.24 0.00 -2.27 0.00 0.00 64.05 61.25 3i1k n THR 323 Cb 0.49 0.29 -0.08 0.00 -2.10 0.00 0.00 70.33 68.94 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 -3.25 2.21 0.97 -0.78 1.02 -1.26 -5.14 119.74 113.52 3i1k s LYS 324 Ca 0.01 -1.73 -0.11 0.00 0.02 0.00 0.00 55.97 54.16 3i1k s LYS 324 Cb 0.14 -2.01 0.18 0.00 -0.52 0.00 0.00 37.83 35.62 3i1k s LYS 324 CO 0.84 0.04 1.09 -2.14 -0.92 0.00 0.00 175.35 174.26 3i1k s PRO 325 N -3.82 0.59 -0.41 -1.68 0.02 -1.26 -4.94 135.00 123.50 3i1k s PRO 325 Ca 0.38 1.01 -0.28 0.00 0.02 0.00 0.00 61.00 62.12 3i1k s PRO 325 Cb 0.01 -1.72 -0.01 0.00 0.02 0.00 0.00 34.50 32.80 3i1k s PRO 325 CO 0.21 -2.75 1.67 -0.47 -0.33 0.00 0.00 177.00 175.33 3i1k s TYR 326 N -2.73 1.99 -0.12 6.54 5.04 -1.26 -4.93 117.35 121.88 3i1k s TYR 326 Ca 0.66 0.65 0.00 0.00 -2.44 0.00 0.00 57.07 55.93 3i1k s TYR 326 Cb -0.21 -4.20 0.02 0.00 0.35 0.00 0.00 41.96 37.93 3i1k s TYR 326 CO 0.59 -2.50 -0.10 -0.51 -1.34 0.00 0.00 175.55 171.69 3i1k s LEU 327 N 6.74 1.35 -0.54 6.97 1.43 -1.26 -4.52 118.68 128.83 3i1k s LEU 327 Ca 0.70 -0.35 0.07 0.00 -1.03 0.00 0.00 54.13 53.53 3i1k s LEU 327 Cb -0.17 -0.92 0.29 0.00 0.03 0.00 0.00 46.19 45.41 3i1k s LEU 327 CO 0.31 -0.09 0.76 0.00 0.23 0.00 0.00 176.35 177.56 3i1k n ALA 328 N 4.80 3.69 0.25 4.21 0.00 -1.26 -2.16 120.51 130.04 3i1k n ALA 328 Ca -0.14 -4.34 0.12 0.00 0.00 0.00 0.00 53.44 49.08 3i1k n ALA 328 Cb 0.50 -0.84 0.67 0.00 0.00 0.00 0.00 19.45 19.78 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 3.65 0.00 -0.43 0.00 0.13 -1.90 -2.27 132.00 131.18 3i1k h PRO 329 Ca 0.14 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.20 3i1k h PRO 329 Cb 0.69 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.78 3i1k h PRO 329 CO 0.72 0.14 0.05 0.09 -0.23 0.00 0.00 178.00 178.78 3i1k n ASN 330 N -3.60 4.24 -4.31 1.44 3.02 -1.26 -5.02 115.26 109.77 3i1k n ASN 330 Ca -0.01 -3.15 -0.17 0.00 -0.03 0.00 0.00 54.58 51.22 3i1k n ASN 330 Cb 0.28 -0.63 0.04 0.00 -0.61 0.00 0.00 39.78 38.86 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 -0.33 2.17 0.20 7.41 0.00 -0.85 -4.91 105.19 108.88 3i1k n GLY 331 Ca 0.29 -2.22 -0.02 0.00 0.00 0.00 0.00 46.02 44.06 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 0.32 1.11 -1.97 4.61 0.00 -0.99 -3.47 119.26 118.86 3i1k h ALA 332 Ca -0.23 -0.41 0.03 0.00 0.00 0.00 0.00 54.91 54.30 3i1k h ALA 332 Cb 0.99 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 3i1k h ALA 332 CO 0.34 0.59 0.13 -0.40 0.00 0.00 0.00 179.25 179.91 3i1k n ASP 333 N -4.03 -0.50 0.00 0.00 5.68 -1.23 -5.03 116.55 111.43 3i1k n ASP 333 Ca -0.01 -1.30 0.11 0.00 -0.50 0.00 0.00 54.79 53.09 3i1k n ASP 333 Cb 0.48 0.83 0.50 0.00 -1.14 0.00 0.00 41.12 41.78 3i1k n ASP 333 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 3i1k n GLU 334 N -0.17 0.00 -0.16 0.11 0.28 -1.26 -2.62 120.64 116.81 3i1k n GLU 334 Ca -0.01 0.10 0.06 0.00 -0.16 0.00 0.00 57.16 57.14 3i1k n GLU 334 Cb 0.15 -1.50 0.15 0.00 1.43 0.00 0.00 31.44 31.67 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 -1.50 2.86 -3.41 -1.84 3.02 -1.26 -4.46 115.26 108.66 3i1k n ASN 335 Ca 0.06 -1.97 -0.14 0.00 -0.03 0.00 0.00 54.58 52.51 3i1k n ASN 335 Cb 0.27 -0.22 -0.10 0.00 -0.61 0.00 0.00 39.78 39.12 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 -1.00 -0.57 0.00 3.10 3.76 -1.08 -4.92 115.29 114.58 3i1k s HIS 336 Ca 0.22 0.49 0.00 0.00 -0.15 0.00 0.00 55.06 55.62 3i1k s HIS 336 Cb 0.12 -0.18 0.00 0.00 1.11 0.00 0.00 32.58 33.63 3i1k s HIS 336 CO 0.16 -0.69 0.00 0.41 -0.85 0.00 0.00 174.74 173.76 3i1k n GLY 337 N 5.34 0.92 3.72 -2.22 0.00 -1.26 -1.95 105.19 109.74 3i1k n GLY 337 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.97 6.83 0.12 1.61 3.68 -1.26 -4.28 116.67 122.40 3i1k s ASP 338 Ca 0.00 2.32 -0.17 0.00 2.13 0.00 0.00 52.55 56.83 3i1k s ASP 338 Cb 0.00 -2.59 -0.03 0.00 -1.45 0.00 0.00 42.92 38.86 3i1k s ASP 338 CO 0.00 -0.65 1.70 -0.33 0.13 0.00 0.00 175.17 176.02 3i1k h GLU 339 N 6.82 0.48 0.62 4.34 4.39 -1.82 -1.12 114.58 128.29 3i1k h GLU 339 Ca -0.42 -0.07 -0.03 0.00 0.34 0.00 0.00 59.36 59.18 3i1k h GLU 339 Cb 1.21 -0.09 0.01 0.00 -0.10 0.00 0.00 28.75 29.78 3i1k h GLU 339 CO 0.86 0.44 -0.30 1.49 -1.16 0.00 0.00 179.01 180.35 3i1k h GLU 340 N 0.40 -0.80 -0.97 2.33 4.81 -1.92 -0.86 114.58 117.57 3i1k h GLU 340 Ca 0.11 0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.42 3i1k h GLU 340 Cb 0.12 0.18 -0.05 0.00 0.63 0.00 0.00 28.75 29.63 3i1k h GLU 340 CO -0.01 -0.51 0.64 0.28 -0.73 0.00 0.00 179.01 178.68 3i1k h VAL 341 N -0.91 1.22 -0.49 0.32 2.07 -1.92 -0.05 116.25 116.50 3i1k h VAL 341 Ca -0.08 -0.44 0.10 0.00 0.82 0.00 0.00 66.70 67.09 3i1k h VAL 341 Cb 0.66 -0.18 -0.09 0.00 -1.52 0.00 0.00 31.29 30.16 3i1k h VAL 341 CO 0.14 0.24 -0.07 0.03 0.02 0.00 0.00 177.57 177.92 3i1k h ARG 342 N 1.29 0.04 -0.20 1.57 3.08 -1.00 0.34 114.38 119.50 3i1k h ARG 342 Ca 0.37 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.40 3i1k h ARG 342 Cb -0.10 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 3i1k h ARG 342 CO -0.09 0.03 0.09 0.37 -1.07 0.00 0.00 179.97 179.29 3i1k h GLN 343 N 0.04 0.30 -0.37 0.04 5.75 -0.01 -2.52 115.11 118.35 3i1k h GLN 343 Ca 0.24 -0.05 0.08 0.00 -0.15 0.00 0.00 58.65 58.77 3i1k h GLN 343 Cb 0.37 -0.05 -0.08 0.00 1.07 0.00 0.00 27.48 28.79 3i1k h GLN 343 CO -0.47 0.35 -0.22 0.52 -2.65 0.00 0.00 178.83 176.37 3i1k h MET 344 N 0.18 -0.15 0.00 1.69 2.86 -0.37 -2.08 114.93 117.06 3i1k h MET 344 Ca 0.07 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 3i1k h MET 344 Cb 0.16 0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.85 3i1k h MET 344 CO -0.01 -0.10 0.00 -1.33 1.06 0.00 0.00 176.91 176.53 3i1k n MET 345 N -5.38 0.11 0.29 1.72 2.81 0.11 -1.76 117.12 115.02 3i1k n MET 345 Ca 0.02 0.21 0.14 0.00 -1.81 0.00 0.00 57.70 56.26 3i1k n MET 345 Cb 0.29 -1.50 0.85 0.00 -0.71 0.00 0.00 33.22 32.15 3i1k n MET 345 CO 0.00 0.00 0.00 1.96 1.51 0.00 0.00 175.97 179.44 3i1k h GLN 346 N 0.00 0.00 -0.28 0.03 1.08 -0.95 -2.80 115.11 112.20 3i1k h GLN 346 Ca 0.00 0.00 0.05 0.00 -1.45 0.00 0.00 58.65 57.25 3i1k h GLN 346 Cb 0.15 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.57 3i1k h GLN 346 CO 0.00 0.03 0.19 0.78 -0.95 0.00 0.00 178.83 178.88 3i1k h GLY 347 N 0.19 0.19 1.98 3.46 0.00 -1.51 -1.91 103.07 105.47 3i1k h GLY 347 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.27 3i1k h GLY 347 CO 0.00 0.05 0.00 1.04 0.00 0.00 0.00 176.54 177.64 3i1k n LEU 348 N -4.48 0.00 0.20 3.11 4.77 -1.05 -2.81 117.00 116.72 3i1k n LEU 348 Ca 0.03 0.49 0.08 0.00 -0.03 0.00 0.00 56.01 56.58 3i1k n LEU 348 Cb 0.24 -0.49 0.24 0.00 -2.33 0.00 0.00 43.42 41.09 3i1k n LEU 348 CO 0.35 -0.15 0.70 -0.07 -1.33 0.00 0.00 177.39 176.88 3i1k h LEU 349 N 0.00 0.00-10.09 2.23 3.38 -1.53 -3.46 115.31 105.84 3i1k h LEU 349 Ca 0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.45 3i1k h LEU 349 Cb 0.34 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 3i1k h LEU 349 CO 0.00 0.26 -0.40 0.68 0.09 0.00 0.00 178.44 179.07 3i1k s VAL 350 N -3.29 5.26 -0.69 1.22 -7.23 -1.12 -5.04 120.40 109.51 3i1k s VAL 350 Ca 0.03 -0.62 -0.22 0.00 -1.81 0.00 0.00 61.98 59.37 3i1k s VAL 350 Cb 0.08 -3.77 0.08 0.00 0.56 0.00 0.00 36.38 33.33 3i1k s VAL 350 CO 0.68 -0.20 0.96 0.20 -0.31 0.00 0.00 175.10 176.43 3i1k s ASN 351 N -3.40 6.23 0.62 4.85 0.01 -1.26 -4.49 114.94 117.49 3i1k s ASN 351 Ca 0.36 -1.17 -0.04 0.00 -0.71 0.00 0.00 52.86 51.30 3i1k s ASN 351 Cb -0.11 -2.40 0.04 0.00 0.41 0.00 0.00 41.25 39.19 3i1k s ASN 351 CO 0.29 -1.36 0.91 -0.44 -1.51 0.00 0.00 177.10 174.99 3i1k s SER 352 N 3.68 5.20 -0.01 -1.22 0.01 -0.57 -4.83 113.70 115.97 3i1k s SER 352 Ca 0.22 0.42 0.10 0.00 1.31 0.00 0.00 55.95 58.01 3i1k s SER 352 Cb -0.16 -1.26 -0.13 0.00 0.21 0.00 0.00 66.02 64.68 3i1k s SER 352 CO 0.07 -1.29 0.33 -0.24 0.41 0.00 0.00 173.24 172.53 3i1k n SER 353 N -2.65 1.42 -3.77 2.44 2.88 0.15 -4.10 113.62 110.00 3i1k n SER 353 Ca 0.07 -0.42 -0.13 0.00 -1.33 0.00 0.00 58.87 57.06 3i1k n SER 353 Cb 0.59 1.20 -0.12 0.00 -0.75 0.00 0.00 64.21 65.13 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 0.54 1.30 0.28 0.00 1.01 -0.94 -2.11 120.40 120.48 3i1k s VAL 355 Ca -0.03 -0.56 -0.11 0.00 0.00 0.00 0.00 61.98 61.28 3i1k s VAL 355 Cb -0.05 -1.18 0.00 0.00 0.00 0.00 0.00 36.38 35.15 3i1k s VAL 355 CO -0.03 0.39 0.50 -0.94 0.00 0.00 0.00 175.10 175.03 3i1k s SER 356 N 0.74 0.12 0.54 3.32 1.04 -0.44 -1.88 113.70 117.14 3i1k s SER 356 Ca -0.13 -1.06 0.34 0.00 0.48 0.00 0.00 55.95 55.59 3i1k s SER 356 Cb -0.16 0.62 1.48 0.00 0.10 0.00 0.00 66.02 68.07 3i1k s SER 356 CO 0.03 -1.22 2.01 -0.65 0.98 0.00 0.00 173.24 174.39 3i1k h PRO 357 N 2.20 0.00 0.00 4.02 0.11 -1.78 -0.84 132.00 135.71 3i1k h PRO 357 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 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 0.36 0.00 -0.14 1.04 -0.21 0.00 0.00 178.00 179.05 3i1k n GLN 358 N -3.01 0.20 0.00 1.05 3.00 -1.26 -4.88 117.38 112.48 3i1k n GLN 358 Ca 0.00 0.14 0.00 0.00 -0.01 0.00 0.00 57.00 57.13 3i1k n GLN 358 Cb 0.27 -1.71 0.00 0.00 0.00 0.00 0.00 30.24 28.80 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 1.36 0.53 3.76 1.08 0.00 -0.32 -3.72 105.19 107.88 3i1k n GLY 359 Ca 0.05 -2.26 -0.27 0.00 0.00 0.00 0.00 46.02 43.54 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 5.32 0.03 1.61 1.04 -0.71 -1.33 113.70 115.66 3i1k s SER 360 Ca 0.00 -0.17 -0.02 0.00 0.48 0.00 0.00 55.95 56.24 3i1k s SER 360 Cb 0.00 -1.34 -0.02 0.00 0.10 0.00 0.00 66.02 64.76 3i1k s SER 360 CO 0.00 0.10 0.01 0.42 0.98 0.00 0.00 173.24 174.74 3i1k s THR 361 N -1.66 0.15 0.86 2.02 -4.23 -0.90 -0.84 115.64 111.04 3i1k s THR 361 Ca 0.30 -1.24 -0.15 0.00 -1.18 0.00 0.00 61.69 59.42 3i1k s THR 361 Cb -0.10 -0.83 0.20 0.00 1.34 0.00 0.00 72.50 73.11 3i1k s THR 361 CO 0.22 -0.68 1.03 -0.81 -0.54 0.00 0.00 174.62 173.84 3i1k n PRO 362 N 0.91 -1.56 -1.96 3.99 -0.04 -1.26 -0.67 135.00 134.40 3i1k n PRO 362 Ca -0.20 -1.61 -0.42 0.00 -0.04 0.00 0.00 63.50 61.24 3i1k n PRO 362 Cb 0.58 -1.18 -0.03 0.00 -0.04 0.00 0.00 33.50 32.82 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 4.37 0.11 1.53 2.96 -1.26 -4.53 118.68 121.86 3i1k s LEU 363 Ca 0.61 2.57 -0.25 0.00 -0.22 0.00 0.00 54.13 56.84 3i1k s LEU 363 Cb -0.03 -3.59 0.07 0.00 0.50 0.00 0.00 46.19 43.15 3i1k s LEU 363 CO 0.44 -0.81 0.64 0.00 -1.32 0.00 0.00 176.35 175.30 3i1k s ALA 364 N 1.27 -1.65 -0.08 5.97 0.00 -1.26 -5.06 121.76 120.96 3i1k s ALA 364 Ca 0.70 0.66 -0.25 0.00 0.00 0.00 0.00 51.96 53.07 3i1k s ALA 364 Cb -0.43 0.71 -0.26 0.00 0.00 0.00 0.00 23.12 23.14 3i1k s ALA 364 CO 0.31 -0.70 0.92 1.25 0.00 0.00 0.00 175.76 177.54 3i1k h LEU 365 N 2.15 0.22 -8.62 0.00 5.85 -1.94 -3.35 115.31 109.63 3i1k h LEU 365 Ca -0.32 -0.89 -0.61 0.00 0.84 0.00 0.00 57.88 56.90 3i1k h LEU 365 Cb 1.28 -0.07 -0.26 0.00 0.37 0.00 0.00 40.66 41.98 3i1k h LEU 365 CO 0.38 1.09 -0.85 -0.31 -0.34 0.00 0.00 178.44 178.41 3i1k s TYR 366 N -2.67 1.96 0.06 1.25 4.12 -1.26 -2.27 117.35 118.54 3i1k s TYR 366 Ca -0.16 -0.39 0.06 0.00 0.02 0.00 0.00 57.07 56.61 3i1k s TYR 366 Cb -0.00 -1.16 -0.04 0.00 -1.52 0.00 0.00 41.96 39.24 3i1k s TYR 366 CO 0.75 0.12 -0.13 0.45 0.02 0.00 0.00 175.55 176.76 3i1k s SER 367 N -1.27 4.17 0.30 2.29 0.15 -0.19 -0.98 113.70 118.17 3i1k s SER 367 Ca 0.09 -0.37 0.26 0.00 0.70 0.00 0.00 55.95 56.63 3i1k s SER 367 Cb -0.09 -0.78 0.82 0.00 -1.71 0.00 0.00 66.02 64.27 3i1k s SER 367 CO 0.02 0.23 1.75 0.77 1.20 0.00 0.00 173.24 177.21 3i1k h SER 368 N 4.16 0.00 -5.32 5.45 4.64 -0.98 -1.72 113.55 119.79 3i1k h SER 368 Ca -0.48 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.69 3i1k h SER 368 Cb 1.16 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.11 3i1k h SER 368 CO 0.50 0.00 -0.55 -1.83 -0.87 0.00 0.00 176.83 174.08 3i1k s GLU 369 N -3.23 0.90 0.30 4.77 -1.05 -1.26 -4.89 118.70 114.24 3i1k s GLU 369 Ca 0.07 -1.28 -0.29 0.00 -0.15 0.00 0.00 54.97 53.32 3i1k s GLU 369 Cb 0.10 0.28 -0.10 0.00 -0.44 0.00 0.00 34.13 33.96 3i1k s GLU 369 CO 0.56 -0.27 1.44 1.41 0.95 0.00 0.00 175.26 179.35 3i1k s MET 370 N -3.98 4.24 -0.21 -4.83 -2.45 -1.26 -4.61 119.30 106.19 3i1k s MET 370 Ca 0.17 2.37 -0.08 0.00 -1.25 0.00 0.00 55.69 56.90 3i1k s MET 370 Cb 0.06 -3.06 -0.04 0.00 1.25 0.00 0.00 34.83 33.04 3i1k s MET 370 CO -0.03 -0.41 0.10 0.42 1.05 0.00 0.00 175.02 176.15 3i1k s ILE 371 N -0.51 4.91 0.52 10.11 -1.09 -1.26 -4.95 121.20 128.93 3i1k s ILE 371 Ca 0.56 0.02 0.07 0.00 -2.23 0.00 0.00 60.65 59.07 3i1k s ILE 371 Cb -0.43 -3.25 0.04 0.00 -1.58 0.00 0.00 42.46 37.23 3i1k s ILE 371 CO 0.50 0.40 0.50 -0.31 -1.23 0.00 0.00 174.94 174.80 3i1k s TYR 372 N 0.83 1.80 0.23 3.97 2.02 -1.26 -5.06 117.35 119.88 3i1k s TYR 372 Ca 0.05 -0.74 -0.02 0.00 -0.37 0.00 0.00 57.07 56.00 3i1k s TYR 372 Cb -0.13 -2.04 -0.04 0.00 -0.40 0.00 0.00 41.96 39.34 3i1k s TYR 372 CO 0.02 -0.57 0.43 0.96 -1.57 0.00 0.00 175.55 174.83 3i1k s ILE 373 N -2.68 5.16 0.17 2.71 -4.36 -1.26 -4.11 121.20 116.83 3i1k s ILE 373 Ca 0.44 -0.27 -0.30 0.00 -0.26 0.00 0.00 60.65 60.25 3i1k s ILE 373 Cb -0.03 -3.74 -0.07 0.00 1.25 0.00 0.00 42.46 39.87 3i1k s ILE 373 CO 0.27 -0.22 1.07 -2.16 0.24 0.00 0.00 174.94 174.14 3i1k s PRO 374 N -3.41 4.62 0.24 0.37 0.05 -1.26 -4.89 135.00 130.71 3i1k s PRO 374 Ca 0.40 1.67 -0.04 0.00 0.05 0.00 0.00 61.00 63.08 3i1k s PRO 374 Cb -0.11 -3.29 -0.02 0.00 0.05 0.00 0.00 34.50 31.12 3i1k s PRO 374 CO 0.29 0.11 0.28 0.54 0.05 0.00 0.00 177.00 178.27 3i1k s ASN 375 N -0.12 0.32 0.24 6.66 2.20 -1.26 -3.71 114.94 119.27 3i1k s ASN 375 Ca 0.49 -1.31 -0.22 0.00 -0.94 0.00 0.00 52.86 50.88 3i1k s ASN 375 Cb -0.28 0.49 0.04 0.00 -2.00 0.00 0.00 41.25 39.49 3i1k s ASN 375 CO 0.34 -1.00 0.68 -0.72 -2.94 0.00 0.00 177.10 173.46 3i1k s TYR 376 N -3.92 -0.30 0.00 1.54 -0.85 -0.79 -4.96 117.35 108.07 3i1k s TYR 376 Ca 0.34 -0.08 0.00 0.00 -0.52 0.00 0.00 57.07 56.81 3i1k s TYR 376 Cb 0.04 0.65 0.00 0.00 0.38 0.00 0.00 41.96 43.03 3i1k s TYR 376 CO 0.14 -1.11 0.00 0.41 -1.52 0.00 0.00 175.55 173.47 3i1k n GLY 377 N -0.43 0.61 3.05 5.49 0.00 -1.26 -2.21 105.19 110.44 3i1k n GLY 377 Ca -0.08 -1.72 -0.32 0.00 0.00 0.00 0.00 46.02 43.90 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 4.43 -0.16 1.61 0.15 0.12 -4.97 113.70 110.89 3i1k s SER 378 Ca 0.00 -1.47 -0.08 0.00 0.70 0.00 0.00 55.95 55.10 3i1k s SER 378 Cb 0.00 -1.52 -0.04 0.00 -1.71 0.00 0.00 66.02 62.74 3i1k s SER 378 CO 0.00 -0.22 0.11 0.00 1.20 0.00 0.00 173.24 174.33 3i1k s PRO 380 N -0.24 2.94 0.14 0.00 0.04 -1.26 -5.02 135.00 131.61 3i1k s PRO 380 Ca 0.10 1.82 -0.05 0.00 0.04 0.00 0.00 61.00 62.91 3i1k s PRO 380 Cb -0.12 -1.93 -0.06 0.00 0.04 0.00 0.00 34.50 32.44 3i1k s PRO 380 CO 0.01 -1.23 0.38 -0.65 0.04 0.00 0.00 177.00 175.56 3i1k s GLN 381 N -3.35 3.63 0.05 4.56 -0.21 -0.96 -4.54 119.66 118.84 3i1k s GLN 381 Ca 0.77 -0.06 -0.30 0.00 0.02 0.00 0.00 55.36 55.79 3i1k s GLN 381 Cb -0.30 -2.85 -0.08 0.00 1.00 0.00 0.00 33.01 30.77 3i1k s GLN 381 CO 0.33 0.47 1.77 -0.47 -2.12 0.00 0.00 175.29 175.27 3i1k s TYR 382 N -1.65 2.01 0.30 0.91 6.04 -1.26 -1.03 117.35 122.67 3i1k s TYR 382 Ca 0.41 0.02 0.03 0.00 0.04 0.00 0.00 57.07 57.57 3i1k s TYR 382 Cb -0.12 -4.08 0.60 0.00 -1.04 0.00 0.00 41.96 37.32 3i1k s TYR 382 CO 0.24 -4.53 1.87 0.10 -1.54 0.00 0.00 175.55 171.70 3i1k h TYR 383 N 9.13 1.04 0.00 4.97 -0.00 -1.65 -1.96 116.97 128.51 3i1k h TYR 383 Ca -0.45 0.03 -0.00 0.00 -0.00 0.00 0.00 58.73 58.31 3i1k h TYR 383 Cb 1.21 -0.33 -0.00 0.00 -0.00 0.00 0.00 36.73 37.61 3i1k h TYR 383 CO 0.84 0.46 -0.01 -0.22 -0.00 0.00 0.00 178.16 179.23 3i1k h LYS 384 N 0.95 0.00 0.00 0.10 3.64 -1.90 0.19 116.57 119.55 3i1k h LYS 384 Ca 0.45 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.77 3i1k h LYS 384 Cb 0.42 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 3i1k h LYS 384 CO -0.21 0.01 -0.25 -0.07 -2.27 0.00 0.00 179.45 176.67 3i1k h LEU 385 N 0.00 0.00 -1.31 5.20 3.38 -1.74 -3.56 115.31 117.28 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 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3i1k h LEU 385 CO 0.00 0.25 0.00 0.49 0.09 0.00 0.00 178.44 179.27