#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iku s ASN 3 N 0.00 -0.70 0.53 1.61 0.01 -1.26 -4.98 114.94 110.15 1iku s ASN 3 Ca 0.00 1.34 0.39 0.00 -0.71 0.00 0.00 52.86 53.88 1iku s ASN 3 Cb 0.00 1.35 1.57 0.00 0.41 0.00 0.00 41.25 44.58 1iku s ASN 3 CO 0.00 -0.24 1.73 0.77 -1.51 0.00 0.00 177.10 177.85 1iku h SER 4 N 5.04 0.04 0.12 -1.22 4.64 -1.96 0.17 113.55 120.39 1iku h SER 4 Ca -0.29 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 1iku h SER 4 Cb 1.16 0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.25 1iku h SER 4 CO 0.09 -0.01 -0.11 0.50 -0.87 0.00 0.00 176.83 176.43 1iku h LYS 5 N 0.03 -0.24 0.00 4.77 3.64 -1.95 -0.14 116.57 122.69 1iku h LYS 5 Ca 0.68 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 60.08 1iku h LYS 5 Cb 2.64 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 34.51 1iku h LYS 5 CO -0.05 -0.16 0.18 -1.13 -2.27 0.00 0.00 179.45 176.02 1iku n SER 6 N -5.23 0.40 0.09 4.20 3.41 0.59 0.34 113.62 117.42 1iku n SER 6 Ca -0.08 0.62 -0.05 0.00 -0.26 0.00 0.00 58.87 59.10 1iku n SER 6 Cb 0.15 -0.61 -0.02 0.00 -0.26 0.00 0.00 64.21 63.47 1iku n SER 6 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1iku h GLY 7 N 0.00 0.02 0.21 5.00 0.00 -0.99 -3.16 103.07 104.15 1iku h GLY 7 Ca 0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 47.33 47.28 1iku h GLY 7 CO 0.00 0.04 -0.04 0.00 0.00 0.00 0.00 176.54 176.54 1iku h ALA 8 N 1.11 -0.10 -1.14 3.60 0.00 -0.08 -2.85 119.26 119.81 1iku h ALA 8 Ca -0.01 -0.28 0.32 0.00 0.00 0.00 0.00 54.91 54.93 1iku h ALA 8 Cb 1.54 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 19.28 1iku h ALA 8 CO 0.12 -0.16 0.76 -0.07 0.00 0.00 0.00 179.25 179.90 1iku h LEU 9 N -0.89 0.27 -0.05 0.00 3.38 -1.62 0.11 115.31 116.51 1iku h LEU 9 Ca -0.01 0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 1iku h LEU 9 Cb 0.60 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1iku h LEU 9 CO 0.02 0.02 -0.13 0.28 0.09 0.00 0.00 178.44 178.72 1iku h SER 10 N 0.22 0.21 -0.72 -0.43 0.02 -1.57 -1.79 113.55 109.49 1iku h SER 10 Ca 0.62 -0.58 0.15 0.00 -0.84 0.00 0.00 61.79 61.14 1iku h SER 10 Cb 1.92 -0.06 -0.10 0.00 0.14 0.00 0.00 62.40 64.29 1iku h SER 10 CO -0.22 0.75 0.20 0.50 -1.14 0.00 0.00 176.83 176.92 1iku h LYS 11 N -0.33 0.29 -0.42 3.45 3.64 -0.55 0.69 116.57 123.34 1iku h LYS 11 Ca -0.00 -0.02 -0.13 0.00 -1.27 0.00 0.00 60.65 59.24 1iku h LYS 11 Cb 0.72 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.47 1iku h LYS 11 CO 0.03 0.19 -0.23 1.49 -2.27 0.00 0.00 179.45 178.66 1iku h GLU 12 N 0.30 0.90 0.21 1.90 4.57 -1.42 -2.29 114.58 118.75 1iku h GLU 12 Ca 0.40 -0.40 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1iku h GLU 12 Cb 0.67 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.24 1iku h GLU 12 CO -0.48 1.05 -0.10 0.82 -1.18 0.00 0.00 179.01 179.12 1iku h ILE 13 N 0.72 0.00 -1.30 2.32 2.04 -0.07 -2.64 117.51 118.58 1iku h ILE 13 Ca 0.09 -0.16 0.40 0.00 1.00 0.00 0.00 64.86 66.19 1iku h ILE 13 Cb 0.80 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.77 1iku h ILE 13 CO 0.07 0.00 0.86 -0.07 0.00 0.00 0.00 178.15 179.01 1iku h LEU 14 N -0.45 0.24 -0.28 1.44 3.38 0.16 0.65 115.31 120.46 1iku h LEU 14 Ca -0.03 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1iku h LEU 14 Cb 0.22 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1iku h LEU 14 CO 0.05 -0.09 0.12 -0.08 0.09 0.00 0.00 178.44 178.53 1iku h GLU 15 N 0.14 0.41 -0.92 1.13 4.81 -1.36 -2.55 114.58 116.24 1iku h GLU 15 Ca 0.75 -0.07 0.12 0.00 -0.13 0.00 0.00 59.36 60.03 1iku h GLU 15 Cb 2.42 -0.07 -0.07 0.00 0.63 0.00 0.00 28.75 31.66 1iku h GLU 15 CO -0.31 0.43 0.59 0.93 -0.73 0.00 0.00 179.01 179.91 1iku h GLU 16 N 0.30 0.82 0.00 1.92 5.08 0.69 -3.01 114.58 120.38 1iku h GLU 16 Ca 0.09 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1iku h GLU 16 Cb 0.16 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1iku h GLU 16 CO -0.01 0.54 0.00 -0.11 -1.00 0.00 0.00 179.01 178.43 1iku n LEU 17 N -4.56 0.00 0.00 1.33 0.00 -0.96 -4.86 117.00 107.95 1iku n LEU 17 Ca 0.17 0.83 0.00 0.00 0.00 0.00 0.00 56.01 57.00 1iku n LEU 17 Cb 0.37 -0.33 0.00 0.00 0.00 0.00 0.00 43.42 43.47 1iku n LEU 17 CO 0.30 -0.33 0.00 1.67 0.00 0.00 0.00 177.39 179.03 1iku n GLN 18 N -2.10 0.00 0.00 1.96 7.27 -1.14 -5.12 117.38 118.25 1iku n GLN 18 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 1iku n GLN 18 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 1iku n GLN 18 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1iku n LEU 19 N 0.00 0.00 -2.70 1.69 4.77 -1.26 -5.06 117.00 114.44 1iku n LEU 19 Ca 0.00 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.94 1iku n LEU 19 Cb 0.00 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.13 1iku n LEU 19 CO 0.00 -0.19 0.38 -3.20 -1.33 0.00 0.00 177.39 173.05 1iku n ASN 20 N 0.00 -2.14 -4.69 -1.43 4.05 -1.26 -4.72 115.26 105.06 1iku n ASN 20 Ca 0.00 -1.93 -0.42 0.00 0.45 0.00 0.00 54.58 52.67 1iku n ASN 20 Cb 0.00 1.14 -0.03 0.00 1.23 0.00 0.00 39.78 42.12 1iku n ASN 20 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 177.26 174.49 1iku s THR 21 N 0.74 4.03 -0.55 -0.44 -1.32 -1.26 -4.83 115.64 112.01 1iku s THR 21 Ca 0.27 1.39 0.24 0.00 -1.21 0.00 0.00 61.69 62.38 1iku s THR 21 Cb 0.12 -3.90 0.16 0.00 -1.51 0.00 0.00 72.50 67.38 1iku s THR 21 CO -0.11 0.01 1.45 0.11 -2.21 0.00 0.00 174.62 173.88 1iku h LYS 22 N 7.50 0.00 -6.28 7.08 1.57 -1.96 -3.45 116.57 121.03 1iku h LYS 22 Ca -0.36 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 57.87 1iku h LYS 22 Cb 1.17 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.49 1iku h LYS 22 CO 0.88 0.00 1.24 -0.06 -0.57 0.00 0.00 179.45 180.94 1iku s PHE 23 N -3.19 1.43 0.94 -1.35 0.40 -1.26 -4.96 117.98 109.99 1iku s PHE 23 Ca 0.06 -0.14 -0.15 0.00 -0.60 0.00 0.00 56.93 56.11 1iku s PHE 23 Cb 0.11 -4.13 0.23 0.00 0.51 0.00 0.00 43.02 39.74 1iku s PHE 23 CO 0.69 -4.89 0.52 -2.37 0.70 0.00 0.00 175.22 169.87 1iku n THR 24 N 5.94 0.00 -0.02 0.64 5.66 -1.26 -4.80 114.28 120.45 1iku n THR 24 Ca 0.21 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 61.05 1iku n THR 24 Cb 0.42 -0.59 -0.11 0.00 -1.55 0.00 0.00 70.33 68.50 1iku n THR 24 CO 0.00 0.00 0.00 1.05 -3.05 0.00 0.00 175.07 173.07 1iku h GLU 25 N 0.00 0.29 -0.80 1.09 4.11 -1.92 -3.20 114.58 114.14 1iku h GLU 25 Ca -0.24 -0.29 0.18 0.00 0.07 0.00 0.00 59.36 59.08 1iku h GLU 25 Cb 0.80 0.08 -0.11 0.00 0.50 0.00 0.00 28.75 30.01 1iku h GLU 25 CO 0.14 0.98 0.28 0.93 0.07 0.00 0.00 179.01 181.41 1iku h GLU 26 N -0.29 0.34 0.44 1.06 5.08 -1.92 -1.15 114.58 118.15 1iku h GLU 26 Ca -0.04 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1iku h GLU 26 Cb 1.10 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.25 1iku h GLU 26 CO 0.08 0.23 -0.41 1.49 -1.00 0.00 0.00 179.01 179.39 1iku h GLU 27 N 0.35 -0.83 -1.07 2.33 4.57 -1.90 -0.73 114.58 117.30 1iku h GLU 27 Ca 0.47 0.06 0.29 0.00 -1.18 0.00 0.00 59.36 59.00 1iku h GLU 27 Cb 0.82 0.19 -0.07 0.00 -0.16 0.00 0.00 28.75 29.52 1iku h GLU 27 CO -0.50 -0.55 0.73 -0.07 -1.18 0.00 0.00 179.01 177.43 1iku h LEU 28 N -0.86 0.25 0.07 1.64 3.38 -1.25 0.17 115.31 118.71 1iku h LEU 28 Ca -0.04 0.05 0.02 0.00 0.09 0.00 0.00 57.88 57.99 1iku h LEU 28 Cb 0.76 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.49 1iku h LEU 28 CO -0.05 0.05 -0.18 -1.28 0.09 0.00 0.00 178.44 177.08 1iku h SER 29 N 0.22 -0.49 -0.03 -0.43 0.87 -0.13 0.43 113.55 113.99 1iku h SER 29 Ca 0.57 0.06 -0.03 0.00 -1.23 0.00 0.00 61.79 61.15 1iku h SER 29 Cb 1.77 0.19 0.00 0.00 -0.44 0.00 0.00 62.40 63.93 1iku h SER 29 CO -0.17 -0.25 -0.12 0.77 -0.53 0.00 0.00 176.83 176.53 1iku h SER 30 N -0.32 0.15 -0.14 6.23 4.64 -0.54 -2.82 113.55 120.75 1iku h SER 30 Ca 0.03 -0.65 0.02 0.00 -0.47 0.00 0.00 61.79 60.73 1iku h SER 30 Cb 0.36 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.38 1iku h SER 30 CO -0.12 0.78 -0.01 -0.25 -0.87 0.00 0.00 176.83 176.36 1iku h TRP 31 N -0.47 -0.03 0.49 4.77 7.01 -0.75 0.23 115.95 127.21 1iku h TRP 31 Ca -0.01 0.01 -0.02 0.00 2.11 0.00 0.00 58.89 60.99 1iku h TRP 31 Cb 0.77 0.03 -0.02 0.00 -2.10 0.00 0.00 29.16 27.85 1iku h TRP 31 CO 0.15 -0.03 -0.44 -0.92 -2.79 0.00 0.00 178.44 174.41 1iku h TYR 32 N 0.03 -1.20 0.13 2.65 3.20 -0.22 1.11 116.97 122.67 1iku h TYR 32 Ca 0.06 0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.95 1iku h TYR 32 Cb 0.08 0.46 -0.02 0.00 1.54 0.00 0.00 36.73 38.79 1iku h TYR 32 CO -0.15 -0.60 -0.18 1.96 -1.64 0.00 0.00 178.16 177.55 1iku h GLN 33 N -0.91 -0.34 -0.03 1.82 4.20 -1.43 0.19 115.11 118.61 1iku h GLN 33 Ca -0.06 0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.68 1iku h GLN 33 Cb 0.78 0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.63 1iku h GLN 33 CO -0.02 -0.23 0.02 0.66 -0.67 0.00 0.00 178.83 178.59 1iku h SER 34 N -0.36 0.00 0.07 1.46 4.64 -0.44 0.70 113.55 119.62 1iku h SER 34 Ca 0.02 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1iku h SER 34 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1iku h SER 34 CO -0.08 0.00 -0.03 0.15 -0.87 0.00 0.00 176.83 176.00 1iku h PHE 35 N 0.00 -0.09 0.00 4.77 3.57 0.25 -2.79 116.94 122.65 1iku h PHE 35 Ca 0.01 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1iku h PHE 35 Cb 0.06 0.03 0.00 0.00 2.79 0.00 0.00 35.95 38.82 1iku h PHE 35 CO 0.00 0.46 0.00 -0.07 -2.23 0.00 0.00 178.31 176.47 1iku h LEU 36 N -0.73 0.00 -0.02 0.59 3.38 -0.65 -2.75 115.31 115.14 1iku h LEU 36 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1iku h LEU 36 Cb 0.59 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 1iku h LEU 36 CO 0.02 0.00 -0.02 0.50 0.09 0.00 0.00 178.44 179.02 1iku h LYS 37 N 0.00 0.04 0.00 1.13 1.63 -0.76 -2.72 116.57 115.89 1iku h LYS 37 Ca 0.00 -0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 59.74 1iku h LYS 37 Cb 0.35 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.98 1iku h LYS 37 CO 0.00 0.56 -0.15 1.49 -3.45 0.00 0.00 179.45 177.90 1iku h GLU 38 N -0.47 0.00 -3.07 1.90 4.81 -1.24 -3.27 114.58 113.23 1iku h GLU 38 Ca 0.00 0.00 -0.62 0.00 -0.13 0.00 0.00 59.36 58.61 1iku h GLU 38 Cb 0.55 0.00 -0.42 0.00 0.63 0.00 0.00 28.75 29.52 1iku h GLU 38 CO 0.01 0.15 -0.59 0.00 -0.73 0.00 0.00 179.01 177.85 1iku h PRO 40 N 5.43 -0.71 0.00 0.00 0.11 -1.55 -1.58 132.00 133.70 1iku h PRO 40 Ca 0.14 0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.30 1iku h PRO 40 Cb 0.76 0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.03 1iku h PRO 40 CO 0.71 -0.47 0.71 0.77 -0.21 0.00 0.00 178.00 179.51 1iku h SER 41 N -0.75 0.00 -0.18 -2.05 0.02 -1.92 -3.43 113.55 105.24 1iku h SER 41 Ca -0.08 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.80 1iku h SER 41 Cb 0.57 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.08 1iku h SER 41 CO 0.12 0.00 -0.07 0.61 -1.14 0.00 0.00 176.83 176.35 1iku n GLY 42 N -1.37 0.62 3.88 -3.77 0.00 -0.59 -4.98 105.19 98.97 1iku n GLY 42 Ca -0.01 -0.28 -0.32 0.00 0.00 0.00 0.00 46.02 45.41 1iku n GLY 42 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1iku s ARG 43 N -1.66 3.76 -0.05 1.61 0.52 -1.26 -1.87 118.95 120.01 1iku s ARG 43 Ca 0.00 0.19 -0.12 0.00 -0.52 0.00 0.00 55.73 55.28 1iku s ARG 43 Cb 0.00 -2.74 0.02 0.00 0.52 0.00 0.00 34.95 32.75 1iku s ARG 43 CO 0.00 0.38 0.28 0.96 0.02 0.00 0.00 175.30 176.94 1iku s ILE 44 N -1.72 0.04 0.44 1.52 -4.36 -0.29 -4.89 121.20 111.94 1iku s ILE 44 Ca 0.44 -0.31 0.08 0.00 -0.26 0.00 0.00 60.65 60.60 1iku s ILE 44 Cb -0.12 -0.50 0.02 0.00 1.25 0.00 0.00 42.46 43.11 1iku s ILE 44 CO 0.22 -0.17 0.60 0.42 0.24 0.00 0.00 174.94 176.25 1iku s THR 45 N -0.71 2.90 0.20 8.37 -4.23 -1.26 -2.03 115.64 118.88 1iku s THR 45 Ca -0.08 -0.98 -0.10 0.00 -1.18 0.00 0.00 61.69 59.34 1iku s THR 45 Cb -0.04 -2.92 0.14 0.00 1.34 0.00 0.00 72.50 71.02 1iku s THR 45 CO 0.02 0.00 1.84 0.08 -0.54 0.00 0.00 174.62 176.02 1iku h ARG 46 N 0.56 0.99 -0.03 3.99 0.11 -1.99 0.23 114.38 118.25 1iku h ARG 46 Ca -0.39 -0.10 0.01 0.00 0.10 0.00 0.00 59.98 59.60 1iku h ARG 46 Cb 1.28 -0.20 -0.00 0.00 1.11 0.00 0.00 29.97 32.16 1iku h ARG 46 CO 0.45 0.71 0.03 1.96 0.10 0.00 0.00 179.97 183.22 1iku h GLN 47 N 0.99 0.00 0.00 0.08 4.20 -1.96 -0.42 115.11 118.00 1iku h GLN 47 Ca 0.26 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.97 1iku h GLN 47 Cb -0.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.76 1iku h GLN 47 CO -0.05 0.00 -0.23 0.93 -0.67 0.00 0.00 178.83 178.81 1iku h GLU 48 N 0.00 0.00 -0.81 1.46 4.39 -1.61 -3.32 114.58 114.70 1iku h GLU 48 Ca 0.01 0.00 0.19 0.00 0.34 0.00 0.00 59.36 59.90 1iku h GLU 48 Cb 0.06 0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 28.57 1iku h GLU 48 CO -0.00 0.00 -0.00 0.35 -1.16 0.00 0.00 179.01 178.20 1iku h PHE 49 N -0.49 -0.07 -0.97 4.33 3.57 -0.61 0.51 116.94 123.20 1iku h PHE 49 Ca 0.00 0.06 0.17 0.00 3.53 0.00 0.00 57.97 61.73 1iku h PHE 49 Cb 0.23 0.16 -0.10 0.00 2.79 0.00 0.00 35.95 39.03 1iku h PHE 49 CO -0.10 -0.28 0.58 0.37 -2.23 0.00 0.00 178.31 176.65 1iku h GLN 50 N 0.08 0.75 -0.37 1.11 4.15 -1.27 0.22 115.11 119.79 1iku h GLN 50 Ca 0.45 -0.05 -0.10 0.00 0.77 0.00 0.00 58.65 59.72 1iku h GLN 50 Cb 0.80 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 28.31 1iku h GLN 50 CO -0.72 0.50 -0.17 1.15 -1.93 0.00 0.00 178.83 177.65 1iku h THR 51 N 0.77 1.26 -0.10 2.39 2.02 -0.10 -2.41 112.91 116.74 1iku h THR 51 Ca 0.55 -1.22 -0.17 0.00 0.77 0.00 0.00 66.41 66.34 1iku h THR 51 Cb 0.79 1.16 -0.01 0.00 -1.74 0.00 0.00 68.15 68.35 1iku h THR 51 CO -0.36 0.41 -0.66 0.40 0.37 0.00 0.00 175.52 175.67 1iku h ILE 52 N 0.62 1.37 -0.17 3.11 2.04 -0.08 -1.78 117.51 122.62 1iku h ILE 52 Ca 0.10 -2.03 -0.08 0.00 1.00 0.00 0.00 64.86 63.84 1iku h ILE 52 Cb 0.63 2.02 -0.01 0.00 -0.74 0.00 0.00 36.82 38.72 1iku h ILE 52 CO 0.04 0.61 -0.27 0.22 0.00 0.00 0.00 178.15 178.76 1iku h TYR 53 N 0.29 0.34 0.22 1.37 3.20 -0.46 -1.72 116.97 120.21 1iku h TYR 53 Ca -0.02 -0.07 -0.31 0.00 3.14 0.00 0.00 58.73 61.48 1iku h TYR 53 Cb 1.22 -0.09 0.03 0.00 1.54 0.00 0.00 36.73 39.43 1iku h TYR 53 CO 0.04 0.55 -1.39 0.66 -1.64 0.00 0.00 178.16 176.38 1iku h SER 54 N 0.27 0.73 0.77 -2.11 4.64 -1.35 -1.12 113.55 115.39 1iku h SER 54 Ca 0.04 -0.93 0.00 0.00 -0.47 0.00 0.00 61.79 60.44 1iku h SER 54 Cb 0.62 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1iku h SER 54 CO 0.04 1.66 0.00 0.50 -0.87 0.00 0.00 176.83 178.17 1iku h LYS 55 N 0.02 0.00 0.00 4.77 3.64 -1.25 -2.88 116.57 120.87 1iku h LYS 55 Ca -0.25 0.00 -0.27 0.00 -1.27 0.00 0.00 60.65 58.86 1iku h LYS 55 Cb 2.05 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 33.82 1iku h LYS 55 CO 0.23 0.00 -2.24 1.19 -2.27 0.00 0.00 179.45 176.37 1iku n PHE 56 N -3.06 0.06 -3.74 1.91 3.01 -0.65 -4.74 117.46 110.25 1iku n PHE 56 Ca -0.00 0.02 -0.29 0.00 1.01 0.00 0.00 57.45 58.19 1iku n PHE 56 Cb 0.25 -0.88 -0.12 0.00 -0.01 0.00 0.00 39.48 38.72 1iku n PHE 56 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 1iku s PHE 57 N -2.77 2.47 0.03 1.38 0.08 -0.42 -4.19 117.98 114.55 1iku s PHE 57 Ca -0.09 -2.80 -0.29 0.00 0.12 0.00 0.00 56.93 53.88 1iku s PHE 57 Cb 0.08 -2.07 -0.16 0.00 -0.57 0.00 0.00 43.02 40.30 1iku s PHE 57 CO 0.85 -0.71 1.22 -1.35 -0.10 0.00 0.00 175.22 175.14 1iku h PRO 58 N 6.03 -0.99 -3.85 0.24 0.11 -1.82 -3.28 132.00 128.43 1iku h PRO 58 Ca 0.09 0.07 -0.63 0.00 0.11 0.00 0.00 66.00 65.64 1iku h PRO 58 Cb 0.86 0.23 0.01 0.00 0.11 0.00 0.00 31.00 32.20 1iku h PRO 58 CO 0.56 -0.66 2.96 -1.91 -0.21 0.00 0.00 178.00 178.74 1iku n GLU 59 N -5.31 2.52 -3.51 1.05 4.07 -1.26 -4.70 120.64 113.50 1iku n GLU 59 Ca -0.13 -2.13 0.01 0.00 -0.06 0.00 0.00 57.16 54.85 1iku n GLU 59 Cb 0.41 -2.96 -0.05 0.00 -0.06 0.00 0.00 31.44 28.77 1iku n GLU 59 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1iku s ALA 60 N 3.54 -2.65 0.40 4.31 0.00 -1.24 -4.91 121.76 121.21 1iku s ALA 60 Ca 0.53 2.04 -0.22 0.00 0.00 0.00 0.00 51.96 54.31 1iku s ALA 60 Cb 0.14 -1.96 -0.14 0.00 0.00 0.00 0.00 23.12 21.16 1iku s ALA 60 CO -0.02 -0.59 0.38 -3.47 0.00 0.00 0.00 175.76 172.05 1iku n ASP 61 N 4.01 -1.64 0.11 0.00 2.03 -1.26 -4.69 116.55 115.11 1iku n ASP 61 Ca -0.14 0.89 0.06 0.00 0.52 0.00 0.00 54.79 56.12 1iku n ASP 61 Cb 0.56 -1.02 0.30 0.00 -0.72 0.00 0.00 41.12 40.24 1iku n ASP 61 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 1iku n PRO 62 N 0.90 0.07 -2.76 -0.67 -0.01 -1.26 -2.80 135.00 128.48 1iku n PRO 62 Ca 0.12 0.52 -0.10 0.00 -0.01 0.00 0.00 63.50 64.03 1iku n PRO 62 Cb 0.38 -1.93 0.08 0.00 -0.01 0.00 0.00 33.50 32.03 1iku n PRO 62 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 175.50 177.12 1iku n LYS 63 N -1.88 0.99 0.00 -0.52 5.02 -1.26 -4.85 118.16 115.66 1iku n LYS 63 Ca -0.01 -2.01 0.00 0.00 -2.02 0.00 0.00 58.31 54.27 1iku n LYS 63 Cb 0.20 -1.12 0.00 0.00 -0.02 0.00 0.00 35.03 34.10 1iku n LYS 63 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1iku n ALA 64 N 0.48 0.00 -0.01 7.82 0.00 -1.12 -4.43 120.51 123.26 1iku n ALA 64 Ca 0.08 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.51 1iku n ALA 64 Cb 0.69 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.14 1iku n ALA 64 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1iku h TYR 65 N 0.00 -0.04 0.00 0.00 3.20 -1.97 -3.28 116.97 114.88 1iku h TYR 65 Ca 0.00 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1iku h TYR 65 Cb 0.00 0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.28 1iku h TYR 65 CO 0.00 -0.02 0.81 0.00 -1.64 0.00 0.00 178.16 177.31 1iku h ALA 66 N -1.54 1.78 -1.13 1.82 0.00 -1.96 0.59 119.26 118.81 1iku h ALA 66 Ca -0.00 0.00 0.33 0.00 0.00 0.00 0.00 54.91 55.23 1iku h ALA 66 Cb 0.03 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 1iku h ALA 66 CO 0.01 -0.78 0.81 -0.56 0.00 0.00 0.00 179.25 178.73 1iku h GLN 67 N 0.00 0.01 0.01 0.00 3.07 -1.77 0.12 115.11 116.55 1iku h GLN 67 Ca 0.00 -0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.72 1iku h GLN 67 Cb 1.63 -0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.18 1iku h GLN 67 CO 0.00 0.01 -0.07 1.25 0.09 0.00 0.00 178.83 180.11 1iku h HIS 68 N 0.01 0.05 -0.86 0.06 2.76 -1.12 -2.20 115.15 113.85 1iku h HIS 68 Ca 0.54 -0.03 0.09 0.00 -2.20 0.00 0.00 60.37 58.76 1iku h HIS 68 Cb 2.15 -0.00 -0.07 0.00 1.55 0.00 0.00 27.41 31.04 1iku h HIS 68 CO -0.00 0.99 0.52 0.28 -1.30 0.00 0.00 177.93 178.42 1iku h VAL 69 N -0.91 0.96 -0.01 5.26 2.07 -1.23 0.18 116.25 122.57 1iku h VAL 69 Ca -0.01 -0.30 -0.15 0.00 0.82 0.00 0.00 66.70 67.05 1iku h VAL 69 Cb 1.02 -0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 1iku h VAL 69 CO 0.01 0.16 -0.69 0.15 0.02 0.00 0.00 177.57 177.23 1iku h PHE 70 N 0.89 0.10 0.27 1.57 3.04 -1.17 -2.59 116.94 119.05 1iku h PHE 70 Ca 0.40 -0.04 -0.01 0.00 3.98 0.00 0.00 57.97 62.30 1iku h PHE 70 Cb 0.31 -0.01 0.00 0.00 2.56 0.00 0.00 35.95 38.81 1iku h PHE 70 CO -0.04 0.73 -0.13 -0.09 -2.02 0.00 0.00 178.31 176.76 1iku h ARG 71 N 0.05 -0.35 -0.91 1.11 9.65 -0.53 -3.27 114.38 120.12 1iku h ARG 71 Ca -0.01 0.02 0.13 0.00 -1.10 0.00 0.00 59.98 59.03 1iku h ARG 71 Cb 1.22 0.08 -0.07 0.00 -1.39 0.00 0.00 29.97 29.80 1iku h ARG 71 CO 0.09 -0.07 0.58 1.03 2.80 0.00 0.00 179.97 184.40 1iku h SER 72 N -1.01 0.72 0.00 -3.80 0.87 -0.79 0.31 113.55 109.85 1iku h SER 72 Ca -0.04 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1iku h SER 72 Cb 0.44 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.30 1iku h SER 72 CO 0.06 0.37 0.52 -0.26 -0.53 0.00 0.00 176.83 176.99 1iku h PHE 73 N 0.77 0.00 0.00 2.24 -1.00 -1.44 -3.44 116.94 114.07 1iku h PHE 73 Ca 0.45 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.23 1iku h PHE 73 Cb 0.64 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.20 1iku h PHE 73 CO -0.00 0.00 0.00 -3.47 -1.61 0.00 0.00 178.31 173.23 1iku n ASP 74 N -1.95 0.00 -3.62 2.17 -0.08 0.10 -4.68 116.55 108.48 1iku n ASP 74 Ca -0.00 0.00 -0.11 0.00 -1.51 0.00 0.00 54.79 53.17 1iku n ASP 74 Cb 0.53 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.92 1iku n ASP 74 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1iku s ALA 75 N -1.15 -1.91 0.00 -1.67 0.00 -1.26 -4.86 121.76 110.91 1iku s ALA 75 Ca 0.00 1.86 0.00 0.00 0.00 0.00 0.00 51.96 53.82 1iku s ALA 75 Cb 0.00 -1.24 0.00 0.00 0.00 0.00 0.00 23.12 21.88 1iku s ALA 75 CO 0.00 -0.27 0.09 0.09 0.00 0.00 0.00 175.76 175.67 1iku n ASN 76 N 2.14 0.00 0.00 0.00 3.02 -1.24 -4.91 115.26 114.27 1iku n ASN 76 Ca -0.13 0.51 0.00 0.00 -0.03 0.00 0.00 54.58 54.93 1iku n ASN 76 Cb 0.56 -0.46 0.00 0.00 -0.61 0.00 0.00 39.78 39.26 1iku n ASN 76 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1iku n SER 77 N -1.89 0.00 -0.65 6.41 7.64 -1.26 -5.08 113.62 118.79 1iku n SER 77 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1iku n SER 77 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1iku n SER 77 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1iku n ASP 78 N -1.46 0.00 -0.73 6.43 8.00 -1.26 -4.89 116.55 122.64 1iku n ASP 78 Ca 0.00 -0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.47 1iku n ASP 78 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1iku n ASP 78 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1iku n GLY 79 N 5.00 0.99 3.72 0.44 0.00 -1.26 -4.74 105.19 109.34 1iku n GLY 79 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 1iku n GLY 79 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1iku s THR 80 N -0.35 2.60 0.15 2.61 -4.23 -1.26 -4.46 115.64 110.70 1iku s THR 80 Ca 0.00 -1.74 -0.14 0.00 -1.18 0.00 0.00 61.69 58.63 1iku s THR 80 Cb 0.00 -2.95 0.02 0.00 1.34 0.00 0.00 72.50 70.91 1iku s THR 80 CO 0.00 -0.10 0.38 -1.48 -0.54 0.00 0.00 174.62 172.89 1iku s LEU 81 N -3.86 0.55 0.39 4.79 0.05 -0.86 -3.65 118.68 116.09 1iku s LEU 81 Ca 0.39 -0.50 -0.24 0.00 0.05 0.00 0.00 54.13 53.82 1iku s LEU 81 Cb 0.01 1.70 -0.09 0.00 -2.05 0.00 0.00 46.19 45.76 1iku s LEU 81 CO 0.22 -0.90 1.07 -0.62 -0.55 0.00 0.00 176.35 175.58 1iku s ASP 82 N -2.86 6.73 -0.19 1.48 -1.08 -1.26 -1.14 116.67 118.35 1iku s ASP 82 Ca 0.07 2.11 -0.16 0.00 -0.52 0.00 0.00 52.55 54.05 1iku s ASP 82 Cb 0.02 -2.59 -0.12 0.00 -1.46 0.00 0.00 42.92 38.77 1iku s ASP 82 CO -0.07 -0.52 -0.01 0.33 0.52 0.00 0.00 175.17 175.42 1iku n PHE 83 N 0.01 0.87 -0.30 -5.34 7.35 -0.78 -3.89 117.46 115.37 1iku n PHE 83 Ca 0.05 0.38 0.12 0.00 -0.76 0.00 0.00 57.45 57.24 1iku n PHE 83 Cb 0.49 -0.94 0.27 0.00 0.35 0.00 0.00 39.48 39.65 1iku n PHE 83 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 1iku h LYS 84 N -1.00 0.12 -0.51 -4.13 1.57 -1.94 0.30 116.57 110.98 1iku h LYS 84 Ca -0.23 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.53 1iku h LYS 84 Cb 1.01 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.27 1iku h LYS 84 CO -0.14 0.08 0.27 0.93 -0.57 0.00 0.00 179.45 180.02 1iku h GLU 85 N 0.12 0.72 -0.47 3.15 5.08 -1.93 -2.09 114.58 119.16 1iku h GLU 85 Ca 0.55 -0.09 0.10 0.00 -1.00 0.00 0.00 59.36 58.91 1iku h GLU 85 Cb 1.10 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 30.19 1iku h GLU 85 CO -0.74 0.57 0.32 -0.92 -1.00 0.00 0.00 179.01 177.25 1iku h TYR 86 N 0.67 0.23 0.32 4.33 3.20 -0.54 -2.28 116.97 122.90 1iku h TYR 86 Ca 0.18 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.04 1iku h TYR 86 Cb 0.07 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.27 1iku h TYR 86 CO -0.01 0.11 -0.15 0.28 -1.64 0.00 0.00 178.16 176.75 1iku h VAL 87 N 0.22 0.48 -0.59 1.81 2.07 -0.69 -2.79 116.25 116.75 1iku h VAL 87 Ca 0.22 -0.76 0.12 0.00 0.82 0.00 0.00 66.70 67.10 1iku h VAL 87 Cb 0.57 0.76 -0.10 0.00 -1.52 0.00 0.00 31.29 31.00 1iku h VAL 87 CO -0.04 0.11 -0.03 0.40 0.02 0.00 0.00 177.57 178.03 1iku h ILE 88 N -0.95 0.49 -0.17 4.57 2.04 -1.15 -0.77 117.51 121.57 1iku h ILE 88 Ca -0.04 -0.03 0.05 0.00 1.00 0.00 0.00 64.86 65.83 1iku h ILE 88 Cb 0.51 0.39 -0.05 0.00 -0.74 0.00 0.00 36.82 36.93 1iku h ILE 88 CO 0.07 0.02 -0.17 0.00 0.00 0.00 0.00 178.15 178.07 1iku h ALA 89 N 1.55 -0.06 -0.76 1.87 0.00 -1.48 0.45 119.26 120.83 1iku h ALA 89 Ca 0.31 0.06 0.13 0.00 0.00 0.00 0.00 54.91 55.41 1iku h ALA 89 Cb 0.49 0.35 -0.09 0.00 0.00 0.00 0.00 17.79 18.54 1iku h ALA 89 CO -0.53 -0.61 0.34 -0.07 0.00 0.00 0.00 179.25 178.38 1iku h LEU 90 N -0.19 0.36 0.03 0.00 3.38 -0.89 -1.48 115.31 116.52 1iku h LEU 90 Ca 0.11 0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 1iku h LEU 90 Cb 0.36 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1iku h LEU 90 CO -0.28 0.16 -0.02 0.45 0.09 0.00 0.00 178.44 178.84 1iku h HIS 91 N 0.51 -0.04 0.00 1.13 3.86 -0.19 -3.21 115.15 117.21 1iku h HIS 91 Ca 0.41 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.62 1iku h HIS 91 Cb 0.58 0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.07 1iku h HIS 91 CO -0.14 -0.03 0.00 -1.33 0.86 0.00 0.00 177.93 177.29 1iku n MET 92 N -2.20 0.00 -0.17 2.45 2.81 0.15 -2.38 117.12 117.78 1iku n MET 92 Ca -0.01 0.50 -0.04 0.00 -1.81 0.00 0.00 57.70 56.34 1iku n MET 92 Cb 0.02 -1.05 -0.03 0.00 -0.71 0.00 0.00 33.22 31.44 1iku n MET 92 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1iku n THR 93 N -1.15 -0.26 -1.57 2.03 -2.24 -0.57 -4.37 114.28 106.14 1iku n THR 93 Ca 0.00 0.96 -0.57 0.00 -2.27 0.00 0.00 64.05 62.17 1iku n THR 93 Cb 0.00 -1.20 -0.07 0.00 -2.10 0.00 0.00 70.33 66.96 1iku n THR 93 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1iku n SER 94 N -4.51 0.87 -4.75 3.42 2.88 -1.00 -4.88 113.62 105.65 1iku n SER 94 Ca 0.01 1.14 -0.40 0.00 -1.33 0.00 0.00 58.87 58.29 1iku n SER 94 Cb 0.11 -1.03 -0.05 0.00 -0.75 0.00 0.00 64.21 62.49 1iku n SER 94 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1iku s ALA 95 N 0.76 3.35 0.00 -1.46 0.00 -1.26 -4.98 121.76 118.17 1iku s ALA 95 Ca 0.91 0.45 0.00 0.00 0.00 0.00 0.00 51.96 53.32 1iku s ALA 95 Cb -1.17 -3.11 0.00 0.00 0.00 0.00 0.00 23.12 18.84 1iku s ALA 95 CO 0.57 0.13 0.00 0.41 0.00 0.00 0.00 175.76 176.87 1iku n GLY 96 N 1.95 -0.56 3.21 0.00 0.00 -1.26 -4.96 105.19 103.57 1iku n GLY 96 Ca -0.02 -0.62 -0.35 0.00 0.00 0.00 0.00 46.02 45.04 1iku n GLY 96 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1iku n LYS 97 N 0.00 -0.26 0.00 1.61 5.02 -1.26 -4.99 118.16 118.28 1iku n LYS 97 Ca 0.00 -0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 1iku n LYS 97 Cb 0.00 -1.44 0.00 0.00 -0.02 0.00 0.00 35.03 33.57 1iku n LYS 97 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1iku n THR 98 N -3.22 0.00 0.00 -0.18 -1.04 -1.26 -4.18 114.28 104.40 1iku n THR 98 Ca 0.02 0.08 0.00 0.00 -2.04 0.00 0.00 64.05 62.11 1iku n THR 98 Cb 0.57 -1.01 0.00 0.00 -1.82 0.00 0.00 70.33 68.07 1iku n THR 98 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 1iku n ASN 99 N -1.62 0.00 -0.00 8.00 2.04 -1.26 0.56 115.26 122.98 1iku n ASN 99 Ca 0.00 0.21 -0.05 0.00 -0.44 0.00 0.00 54.58 54.29 1iku n ASN 99 Cb 0.00 -0.21 -0.12 0.00 -2.53 0.00 0.00 39.78 36.92 1iku n ASN 99 CO 0.00 0.00 0.00 1.67 -0.44 0.00 0.00 177.26 178.49 1iku n GLN 100 N -1.19 0.63 0.01 -3.83 -0.06 -1.26 -4.06 117.38 107.61 1iku n GLN 100 Ca 0.00 0.26 -0.06 0.00 -2.00 0.00 0.00 57.00 55.20 1iku n GLN 100 Cb 0.27 -1.79 -0.12 0.00 -4.06 0.00 0.00 30.24 24.53 1iku n GLN 100 CO 0.00 0.00 0.00 0.87 -0.20 0.00 0.00 177.06 177.73 1iku h LYS 101 N 0.00 0.00 0.96 3.69 1.57 -0.05 -3.37 116.57 119.37 1iku h LYS 101 Ca -0.25 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.49 1iku h LYS 101 Cb 1.86 0.00 0.01 0.00 0.08 0.00 0.00 32.23 34.18 1iku h LYS 101 CO 0.07 0.54 -0.46 -0.07 -0.57 0.00 0.00 179.45 178.95 1iku h LEU 102 N 0.00 -1.09 -1.36 2.94 3.38 -1.66 -2.55 115.31 114.96 1iku h LEU 102 Ca -0.21 0.04 0.43 0.00 0.09 0.00 0.00 57.88 58.23 1iku h LEU 102 Cb 1.88 0.28 -0.13 0.00 0.09 0.00 0.00 40.66 42.78 1iku h LEU 102 CO 0.08 -0.76 0.82 -0.33 0.09 0.00 0.00 178.44 178.35 1iku h GLU 103 N -1.33 0.08 0.17 1.13 4.39 -1.75 0.46 114.58 117.72 1iku h GLU 103 Ca -0.13 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.56 1iku h GLU 103 Cb 0.99 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.62 1iku h GLU 103 CO 0.22 0.06 -0.08 2.35 -1.16 0.00 0.00 179.01 180.39 1iku h TRP 104 N 0.09 -0.21 -0.20 4.33 7.01 -1.63 0.14 115.95 125.48 1iku h TRP 104 Ca 0.82 -0.00 0.01 0.00 2.11 0.00 0.00 58.89 61.83 1iku h TRP 104 Cb 2.53 0.07 -0.02 0.00 -2.10 0.00 0.00 29.16 29.65 1iku h TRP 104 CO -0.01 0.08 0.11 0.00 -2.79 0.00 0.00 178.44 175.83 1iku h ALA 105 N 0.28 0.24 -0.70 2.65 0.00 0.13 0.27 119.26 122.13 1iku h ALA 105 Ca -0.02 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.91 1iku h ALA 105 Cb 0.38 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 1iku h ALA 105 CO 0.04 -0.31 0.44 0.35 0.00 0.00 0.00 179.25 179.77 1iku h PHE 106 N 0.22 0.83 0.00 0.00 3.04 -0.90 -1.30 116.94 118.83 1iku h PHE 106 Ca 0.08 0.02 -0.09 0.00 3.98 0.00 0.00 57.97 61.96 1iku h PHE 106 Cb 0.01 -0.27 -0.01 0.00 2.56 0.00 0.00 35.95 38.23 1iku h PHE 106 CO -0.09 0.48 -0.42 1.03 -2.02 0.00 0.00 178.31 177.29 1iku h SER 107 N 0.87 0.00 0.59 0.41 0.87 -0.22 0.50 113.55 116.58 1iku h SER 107 Ca 0.28 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.77 1iku h SER 107 Cb -0.01 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.94 1iku h SER 107 CO -0.10 0.42 -0.32 0.25 -0.53 0.00 0.00 176.83 176.56 1iku h LEU 108 N 0.00 0.00 -0.02 2.23 5.85 0.64 -2.97 115.31 121.03 1iku h LEU 108 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1iku h LEU 108 Cb 0.80 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.83 1iku h LEU 108 CO 0.06 0.32 -0.87 -1.22 -0.34 0.00 0.00 178.44 176.38 1iku n TYR 109 N -3.72 0.00 0.52 1.25 4.01 -0.77 -4.33 117.16 114.11 1iku n TYR 109 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 1iku n TYR 109 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.45 1iku n TYR 109 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 1iku n ASP 110 N -1.41 0.66 -0.00 7.72 5.75 0.12 -1.71 116.55 127.68 1iku n ASP 110 Ca 0.04 -1.04 0.06 0.00 -0.01 0.00 0.00 54.79 53.84 1iku n ASP 110 Cb 0.29 -0.26 -0.09 0.00 -1.03 0.00 0.00 41.12 40.04 1iku n ASP 110 CO 0.00 0.00 0.00 0.55 -0.11 0.00 0.00 177.20 177.64 1iku n VAL 111 N 0.31 0.00 0.00 2.12 3.14 -1.26 -4.59 118.33 118.05 1iku n VAL 111 Ca 0.00 -0.27 0.00 0.00 -2.96 0.00 0.00 64.34 61.11 1iku n VAL 111 Cb 0.15 0.36 0.00 0.00 -1.06 0.00 0.00 33.84 33.29 1iku n VAL 111 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1iku n ASP 112 N -1.81 0.00 0.00 6.55 9.92 -0.69 -4.89 116.55 125.62 1iku n ASP 112 Ca -0.01 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.25 1iku n ASP 112 Cb 0.29 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.77 1iku n ASP 112 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1iku n GLY 113 N 1.66 0.04 0.00 0.44 0.00 -1.26 -5.01 105.19 101.05 1iku n GLY 113 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1iku n GLY 113 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1iku n ASN 114 N 0.00 0.00 0.00 1.61 3.02 -1.26 -4.99 115.26 113.64 1iku n ASN 114 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1iku n ASN 114 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1iku n ASN 114 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1iku n GLY 115 N 3.38 0.97 3.85 7.41 0.00 -1.26 -4.54 105.19 115.01 1iku n GLY 115 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1iku n GLY 115 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1iku s THR 116 N -0.21 4.79 -0.15 2.61 -4.23 -1.26 -4.54 115.64 112.64 1iku s THR 116 Ca 0.00 0.82 -0.10 0.00 -1.18 0.00 0.00 61.69 61.23 1iku s THR 116 Cb 0.00 -3.69 -0.05 0.00 1.34 0.00 0.00 72.50 70.10 1iku s THR 116 CO 0.00 0.04 0.18 -0.51 -0.54 0.00 0.00 174.62 173.79 1iku s ILE 117 N -1.70 5.41 0.42 2.99 2.07 -0.41 -4.71 121.20 125.27 1iku s ILE 117 Ca 0.45 0.30 0.08 0.00 -1.41 0.00 0.00 60.65 60.06 1iku s ILE 117 Cb -0.13 -3.48 -0.01 0.00 0.13 0.00 0.00 42.46 38.97 1iku s ILE 117 CO 0.20 0.51 0.42 -0.94 -1.91 0.00 0.00 174.94 173.22 1iku s SER 118 N -0.26 5.16 0.17 4.50 1.04 -1.26 -2.38 113.70 120.67 1iku s SER 118 Ca 0.13 -0.70 -0.19 0.00 0.48 0.00 0.00 55.95 55.67 1iku s SER 118 Cb -0.12 -0.55 0.10 0.00 0.10 0.00 0.00 66.02 65.55 1iku s SER 118 CO 0.02 -0.70 1.62 0.50 0.98 0.00 0.00 173.24 175.67 1iku h LYS 119 N 0.93 -0.14 -0.98 4.02 3.64 -1.91 -0.13 116.57 121.99 1iku h LYS 119 Ca -0.41 0.01 0.33 0.00 -1.27 0.00 0.00 60.65 59.31 1iku h LYS 119 Cb 1.27 0.03 -0.17 0.00 -0.41 0.00 0.00 32.23 32.95 1iku h LYS 119 CO 0.55 -0.10 0.31 -0.91 -2.27 0.00 0.00 179.45 177.03 1iku h ASN 120 N -0.15 -0.01 -0.23 4.20 -0.26 -1.99 0.81 115.58 117.96 1iku h ASN 120 Ca 0.20 0.25 -0.01 0.00 -0.56 0.00 0.00 56.30 56.18 1iku h ASN 120 Cb 0.46 0.34 -0.01 0.00 -1.06 0.00 0.00 38.32 38.06 1iku h ASN 120 CO -0.51 -0.35 0.08 -0.33 -1.06 0.00 0.00 177.43 175.26 1iku h GLU 121 N 0.06 0.34 -0.84 0.81 4.39 -1.41 -2.26 114.58 115.66 1iku h GLU 121 Ca 0.71 -0.06 0.05 0.00 0.34 0.00 0.00 59.36 60.39 1iku h GLU 121 Cb 1.67 -0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 30.21 1iku h GLU 121 CO -0.80 0.40 0.53 0.28 -1.16 0.00 0.00 179.01 178.26 1iku h VAL 122 N 0.21 1.07 -0.33 3.13 2.07 0.76 -2.05 116.25 121.11 1iku h VAL 122 Ca 0.07 -0.34 0.04 0.00 0.82 0.00 0.00 66.70 67.30 1iku h VAL 122 Cb 0.19 -0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 29.92 1iku h VAL 122 CO -0.01 0.18 0.09 0.25 0.02 0.00 0.00 177.57 178.10 1iku h LEU 123 N 0.99 0.06 -0.55 2.57 5.85 -0.63 -0.81 115.31 122.78 1iku h LEU 123 Ca 0.36 0.05 0.10 0.00 0.84 0.00 0.00 57.88 59.22 1iku h LEU 123 Cb 0.11 0.05 -0.08 0.00 0.37 0.00 0.00 40.66 41.11 1iku h LEU 123 CO -0.15 0.07 0.10 -0.08 -0.34 0.00 0.00 178.44 178.04 1iku h GLU 124 N 0.22 0.22 0.13 1.25 4.81 -0.79 0.32 114.58 120.73 1iku h GLU 124 Ca 0.15 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.36 1iku h GLU 124 Cb 0.15 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.48 1iku h GLU 124 CO -0.18 0.15 -0.06 0.82 -0.73 0.00 0.00 179.01 179.00 1iku h ILE 125 N 0.23 0.93 -0.56 2.32 2.04 -1.14 0.01 117.51 121.34 1iku h ILE 125 Ca 0.29 -0.25 0.06 0.00 1.00 0.00 0.00 64.86 65.95 1iku h ILE 125 Cb 0.42 1.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.55 1iku h ILE 125 CO -0.39 0.06 0.37 0.58 0.00 0.00 0.00 178.15 178.78 1iku h VAL 126 N -0.30 0.99 -0.01 1.67 2.07 -0.48 -0.82 116.25 119.39 1iku h VAL 126 Ca -0.02 -0.18 -0.18 0.00 0.82 0.00 0.00 66.70 67.14 1iku h VAL 126 Cb 0.24 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 1iku h VAL 126 CO 0.03 0.10 -0.82 0.74 0.02 0.00 0.00 177.57 177.64 1iku h THR 127 N 0.53 1.50 0.06 2.57 2.02 -0.04 0.07 112.91 119.61 1iku h THR 127 Ca 0.24 -2.55 -0.00 0.00 0.77 0.00 0.00 66.41 64.86 1iku h THR 127 Cb 0.27 2.40 0.00 0.00 -1.74 0.00 0.00 68.15 69.08 1iku h THR 127 CO -0.07 0.74 -0.03 0.00 0.37 0.00 0.00 175.52 176.54 1iku h ALA 128 N 1.07 -0.08 -0.02 6.16 0.00 0.42 -0.65 119.26 126.15 1iku h ALA 128 Ca -0.03 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1iku h ALA 128 Cb 1.42 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1iku h ALA 128 CO 0.12 -0.47 -0.08 0.82 0.00 0.00 0.00 179.25 179.64 1iku h ILE 129 N -0.22 1.48 -0.69 0.00 2.04 -1.41 -2.48 117.51 116.22 1iku h ILE 129 Ca -0.01 -1.53 0.20 0.00 1.00 0.00 0.00 64.86 64.52 1iku h ILE 129 Cb 0.19 2.44 -0.03 0.00 -0.74 0.00 0.00 36.82 38.69 1iku h ILE 129 CO 0.01 0.41 0.54 0.15 0.00 0.00 0.00 178.15 179.27 1iku h PHE 130 N -0.50 0.00 -0.01 1.37 3.04 -0.98 1.11 116.94 120.97 1iku h PHE 130 Ca -0.00 0.00 -0.18 0.00 3.98 0.00 0.00 57.97 61.76 1iku h PHE 130 Cb 0.71 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.20 1iku h PHE 130 CO 0.14 0.00 -0.82 0.87 -2.02 0.00 0.00 178.31 176.48 1iku h LYS 131 N 0.00 0.17 0.00 1.11 1.79 -0.94 -3.01 116.57 115.69 1iku h LYS 131 Ca 0.33 -0.17 -0.03 0.00 -2.18 0.00 0.00 60.65 58.59 1iku h LYS 131 Cb 1.41 0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 32.10 1iku h LYS 131 CO -0.00 0.90 -0.15 0.00 -1.08 0.00 0.00 179.45 179.11 1iku h MET 132 N 0.10 0.00 -6.54 3.15 -0.00 0.17 -3.19 114.93 108.62 1iku h MET 132 Ca -0.03 0.00 -0.53 0.00 -0.00 0.00 0.00 59.70 59.14 1iku h MET 132 Cb 1.42 0.00 0.04 0.00 -0.00 0.00 0.00 31.60 33.06 1iku h MET 132 CO 0.12 0.15 1.01 0.42 -0.00 0.00 0.00 176.91 178.61 1iku s ILE 133 N -4.44 2.61 0.41 -0.10 1.01 -0.88 -4.59 121.20 115.23 1iku s ILE 133 Ca -0.03 0.27 -0.26 0.00 0.00 0.00 0.00 60.65 60.62 1iku s ILE 133 Cb 0.15 -3.17 -0.10 0.00 0.01 0.00 0.00 42.46 39.35 1iku s ILE 133 CO 0.64 0.01 1.39 -0.24 0.00 0.00 0.00 174.94 176.74 1iku n SER 134 N 4.93 3.17 0.17 3.58 2.88 -1.26 -4.81 113.62 122.28 1iku n SER 134 Ca 0.16 1.15 0.09 0.00 -1.33 0.00 0.00 58.87 58.94 1iku n SER 134 Cb 0.38 -1.57 0.48 0.00 -0.75 0.00 0.00 64.21 62.76 1iku n SER 134 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 1iku n PRO 135 N 0.11 0.12 -0.09 -1.46 -0.01 -1.26 -1.40 135.00 131.01 1iku n PRO 135 Ca 0.04 0.61 -0.14 0.00 -0.01 0.00 0.00 63.50 64.01 1iku n PRO 135 Cb 0.40 -2.04 -0.07 0.00 -0.01 0.00 0.00 33.50 31.78 1iku n PRO 135 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 175.50 173.58 1iku n GLU 136 N -2.17 0.51 0.23 -0.52 2.13 -1.26 -4.01 120.64 115.55 1iku n GLU 136 Ca -0.01 0.55 0.14 0.00 0.66 0.00 0.00 57.16 58.51 1iku n GLU 136 Cb 0.19 -1.72 0.77 0.00 0.27 0.00 0.00 31.44 30.95 1iku n GLU 136 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 1iku h ASP 137 N -1.00 0.00 0.38 4.31 5.19 -1.71 0.13 116.42 123.73 1iku h ASP 137 Ca -0.19 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.22 1iku h ASP 137 Cb 0.92 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.43 1iku h ASP 137 CO -0.11 0.00 -0.02 0.71 -3.12 0.00 0.00 179.24 176.70 1iku h THR 138 N 0.00 0.10 0.00 0.35 1.35 -1.37 -0.89 112.91 112.45 1iku h THR 138 Ca 0.00 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.62 1iku h THR 138 Cb 0.13 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 67.77 1iku h THR 138 CO 0.00 0.02 0.00 0.29 -0.25 0.00 0.00 175.52 175.58 1iku n LYS 139 N -3.19 0.08 0.08 4.72 4.76 0.47 -1.16 118.16 123.91 1iku n LYS 139 Ca -0.02 0.48 0.12 0.00 -2.87 0.00 0.00 58.31 56.02 1iku n LYS 139 Cb 0.17 -1.71 0.16 0.00 -1.84 0.00 0.00 35.03 31.81 1iku n LYS 139 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1iku h HIS 140 N 0.00 0.00 -4.06 2.13 3.86 -1.36 -3.46 115.15 112.25 1iku h HIS 140 Ca 0.00 0.00 -0.45 0.00 -1.16 0.00 0.00 60.37 58.76 1iku h HIS 140 Cb 0.12 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.58 1iku h HIS 140 CO 0.00 0.00 0.35 -0.51 0.86 0.00 0.00 177.93 178.63 1iku s LEU 141 N -4.52 3.92 0.00 2.43 1.43 -0.31 -5.04 118.68 116.58 1iku s LEU 141 Ca 0.05 1.74 -0.17 0.00 -1.03 0.00 0.00 54.13 54.73 1iku s LEU 141 Cb 0.12 -4.54 0.27 0.00 0.03 0.00 0.00 46.19 42.06 1iku s LEU 141 CO 0.72 -0.46 0.60 -0.81 0.23 0.00 0.00 176.35 176.63 1iku n PRO 142 N -0.72 -3.61 -0.09 1.29 -0.04 -1.26 -4.99 135.00 125.58 1iku n PRO 142 Ca 0.08 -1.01 -0.11 0.00 -0.04 0.00 0.00 63.50 62.42 1iku n PRO 142 Cb 0.54 -1.40 -0.12 0.00 -0.04 0.00 0.00 33.50 32.48 1iku n PRO 142 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1iku n GLU 143 N -4.20 1.01 0.39 0.54 0.28 -1.26 -4.41 120.64 112.99 1iku n GLU 143 Ca 0.10 0.04 -0.15 0.00 -0.16 0.00 0.00 57.16 56.98 1iku n GLU 143 Cb 0.42 -1.43 -0.07 0.00 1.43 0.00 0.00 31.44 31.79 1iku n GLU 143 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 1iku h ASP 144 N 0.00 -0.85 -0.97 -1.84 3.32 -2.04 -3.16 116.42 110.87 1iku h ASP 144 Ca -0.46 0.03 -0.60 0.00 0.02 0.00 0.00 57.03 56.02 1iku h ASP 144 Cb 1.93 0.22 -0.13 0.00 0.22 0.00 0.00 39.33 41.56 1iku h ASP 144 CO -0.01 -0.57 1.49 -0.62 -1.72 0.00 0.00 179.24 177.81 1iku n GLU 145 N -4.95 3.48 -0.99 3.56 1.02 -1.26 -4.65 120.64 116.86 1iku n GLU 145 Ca -0.13 -2.77 -0.21 0.00 -0.02 0.00 0.00 57.16 54.03 1iku n GLU 145 Cb 0.40 -2.40 0.06 0.00 -0.02 0.00 0.00 31.44 29.48 1iku n GLU 145 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1iku n ASN 146 N 1.54 6.31 -3.72 1.62 6.94 -1.20 -4.56 115.26 122.19 1iku n ASN 146 Ca 0.57 -3.24 -0.14 0.00 -0.02 0.00 0.00 54.58 51.74 1iku n ASN 146 Cb 0.42 -0.98 -0.09 0.00 -2.36 0.00 0.00 39.78 36.76 1iku n ASN 146 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1iku s THR 147 N -2.91 0.03 0.28 5.53 -4.23 -1.26 -5.00 115.64 108.08 1iku s THR 147 Ca 0.40 -0.21 0.30 0.00 -1.18 0.00 0.00 61.69 61.00 1iku s THR 147 Cb 0.32 -0.65 0.30 0.00 1.34 0.00 0.00 72.50 73.80 1iku s THR 147 CO 0.01 -0.12 1.90 -0.65 -0.54 0.00 0.00 174.62 175.22 1iku h PRO 148 N 4.46 0.00 0.18 3.99 0.10 -1.91 0.09 132.00 138.91 1iku h PRO 148 Ca -0.28 0.00 -0.35 0.00 0.10 0.00 0.00 66.00 65.47 1iku h PRO 148 Cb 1.17 0.00 0.01 0.00 0.10 0.00 0.00 31.00 32.28 1iku h PRO 148 CO 0.33 0.00 -1.75 0.93 0.10 0.00 0.00 178.00 177.61 1iku h GLU 149 N 0.00 0.39 -0.10 1.05 5.08 -1.94 -2.62 114.58 116.44 1iku h GLU 149 Ca 0.00 -0.67 -0.15 0.00 -1.00 0.00 0.00 59.36 57.54 1iku h GLU 149 Cb 0.21 0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 1iku h GLU 149 CO 0.00 1.31 -0.58 0.87 -1.00 0.00 0.00 179.01 179.61 1iku h LYS 150 N 0.11 0.31 0.04 2.33 1.79 -1.39 -0.74 116.57 119.02 1iku h LYS 150 Ca -0.34 -0.21 -0.00 0.00 -2.18 0.00 0.00 60.65 57.92 1iku h LYS 150 Cb 2.10 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 32.78 1iku h LYS 150 CO 0.18 0.81 -0.02 -0.09 -1.08 0.00 0.00 179.45 179.24 1iku h ARG 151 N 0.24 -0.06 0.00 3.15 9.65 -1.24 -2.57 114.38 123.55 1iku h ARG 151 Ca -0.00 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.86 1iku h ARG 151 Cb 1.09 0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 29.68 1iku h ARG 151 CO 0.09 0.43 -0.09 0.00 2.80 0.00 0.00 179.97 183.21 1iku h ALA 152 N 0.33 1.60 -0.63 2.80 0.00 -1.46 -1.11 119.26 120.79 1iku h ALA 152 Ca -0.01 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1iku h ALA 152 Cb 0.52 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1iku h ALA 152 CO 0.01 0.11 0.32 0.93 0.00 0.00 0.00 179.25 180.62 1iku h GLU 153 N 0.00 0.90 0.48 0.00 5.08 -0.92 0.15 114.58 120.27 1iku h GLU 153 Ca -0.00 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 1iku h GLU 153 Cb 0.18 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1iku h GLU 153 CO 0.01 0.71 -0.35 -0.22 -1.00 0.00 0.00 179.01 178.16 1iku h LYS 154 N 0.87 -0.78 -0.78 2.33 3.64 -0.80 2.07 116.57 123.12 1iku h LYS 154 Ca 0.22 0.05 0.11 0.00 -1.27 0.00 0.00 60.65 59.76 1iku h LYS 154 Cb 0.09 0.18 -0.08 0.00 -0.41 0.00 0.00 32.23 32.01 1iku h LYS 154 CO -0.03 -0.52 0.41 0.82 -2.27 0.00 0.00 179.45 177.87 1iku h ILE 155 N -0.81 0.84 0.00 2.00 2.04 -1.30 0.45 117.51 120.74 1iku h ILE 155 Ca -0.05 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.58 1iku h ILE 155 Cb 0.68 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 1iku h ILE 155 CO 0.01 0.12 0.00 -0.25 0.00 0.00 0.00 178.15 178.04 1iku h TRP 156 N 0.67 0.00 0.00 1.37 2.91 -0.06 -0.98 115.95 119.86 1iku h TRP 156 Ca 0.39 0.00 -0.19 0.00 1.13 0.00 0.00 58.89 60.22 1iku h TRP 156 Cb 0.43 0.00 -0.03 0.00 -0.51 0.00 0.00 29.16 29.05 1iku h TRP 156 CO -0.09 0.00 -0.99 0.78 -1.03 0.00 0.00 178.44 177.12 1iku h GLY 157 N 3.42 0.00 0.87 2.65 0.00 0.77 -2.73 103.07 108.06 1iku h GLY 157 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.09 1iku h GLY 157 CO 0.00 0.00 -1.65 0.69 0.00 0.00 0.00 176.54 175.58 1iku n PHE 158 N -3.27 0.88 0.00 5.60 3.01 0.35 -2.58 117.46 121.46 1iku n PHE 158 Ca -0.02 0.31 0.00 0.00 1.01 0.00 0.00 57.45 58.75 1iku n PHE 158 Cb 0.90 -1.11 0.00 0.00 -0.01 0.00 0.00 39.48 39.26 1iku n PHE 158 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1iku n PHE 159 N -2.93 0.00 0.15 1.38 3.72 -0.39 -4.53 117.46 114.86 1iku n PHE 159 Ca -0.15 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.29 1iku n PHE 159 Cb 0.96 -0.48 -0.06 0.00 -0.94 0.00 0.00 39.48 38.96 1iku n PHE 159 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1iku n GLY 160 N -0.29 -0.16 2.39 1.37 0.00 -1.20 -5.01 105.19 102.29 1iku n GLY 160 Ca 0.00 -0.22 -0.14 0.00 0.00 0.00 0.00 46.02 45.67 1iku n GLY 160 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1iku n LYS 161 N -1.57 -1.97 -3.53 1.61 5.02 -1.03 -4.98 118.16 111.71 1iku n LYS 161 Ca -0.00 0.63 -0.07 0.00 -2.02 0.00 0.00 58.31 56.84 1iku n LYS 161 Cb 0.19 -4.85 -0.02 0.00 -0.02 0.00 0.00 35.03 30.33 1iku n LYS 161 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1iku s LYS 162 N -4.93 0.72 0.02 1.97 1.02 -1.25 -5.00 119.74 112.28 1iku s LYS 162 Ca 0.08 -0.27 0.14 0.00 0.02 0.00 0.00 55.97 55.94 1iku s LYS 162 Cb -0.04 0.33 -0.18 0.00 -0.52 0.00 0.00 37.83 37.42 1iku s LYS 162 CO 0.10 -0.31 0.81 0.38 -0.92 0.00 0.00 175.35 175.41 1iku h ASP 163 N 2.00 0.00 -0.94 2.83 3.04 -1.93 -3.37 116.42 118.05 1iku h ASP 163 Ca -0.19 0.00 -0.57 0.00 -3.24 0.00 0.00 57.03 53.02 1iku h ASP 163 Cb 1.22 0.00 -0.14 0.00 -1.04 0.00 0.00 39.33 39.38 1iku h ASP 163 CO 0.29 0.82 1.27 -0.67 -2.04 0.00 0.00 179.24 178.91 1iku n ASP 164 N -3.02 7.08 -3.80 4.15 2.03 -1.26 -4.88 116.55 116.85 1iku n ASP 164 Ca -0.12 -3.08 -0.12 0.00 0.52 0.00 0.00 54.79 51.99 1iku n ASP 164 Cb 0.95 -1.32 -0.07 0.00 -0.72 0.00 0.00 41.12 39.97 1iku n ASP 164 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1iku s ASP 165 N 0.61 0.39 0.22 1.67 2.15 -1.26 -5.18 116.67 115.27 1iku s ASP 165 Ca 0.59 -1.28 -0.13 0.00 0.43 0.00 0.00 52.55 52.16 1iku s ASP 165 Cb 0.29 0.55 0.00 0.00 -0.30 0.00 0.00 42.92 43.46 1iku s ASP 165 CO -0.15 -1.09 0.44 -1.59 -0.17 0.00 0.00 175.17 172.61 1iku s LYS 166 N -3.74 1.42 -0.01 4.34 -2.85 -1.26 -4.67 119.74 112.96 1iku s LYS 166 Ca 0.31 -1.16 0.06 0.00 -1.00 0.00 0.00 55.97 54.17 1iku s LYS 166 Cb 0.02 0.46 -0.02 0.00 -2.06 0.00 0.00 37.83 36.23 1iku s LYS 166 CO 0.14 -0.58 -0.19 -0.51 0.10 0.00 0.00 175.35 174.31 1iku s LEU 167 N -2.98 2.04 0.45 2.77 1.43 -1.00 -4.99 118.68 116.40 1iku s LEU 167 Ca 0.19 -0.35 0.06 0.00 -1.03 0.00 0.00 54.13 53.00 1iku s LEU 167 Cb 0.00 -0.97 0.01 0.00 0.03 0.00 0.00 46.19 45.27 1iku s LEU 167 CO 0.05 0.23 0.62 0.42 0.23 0.00 0.00 176.35 177.89 1iku s THR 168 N -0.46 3.04 0.60 5.49 -4.23 -1.26 -1.29 115.64 117.52 1iku s THR 168 Ca 0.07 -0.89 0.29 0.00 -1.18 0.00 0.00 61.69 59.98 1iku s THR 168 Cb -0.07 -3.05 0.40 0.00 1.34 0.00 0.00 72.50 71.12 1iku s THR 168 CO -0.01 -0.02 1.64 1.05 -0.54 0.00 0.00 174.62 176.74 1iku h GLU 169 N 0.50 0.00 0.00 3.99 4.11 -1.99 0.21 114.58 121.40 1iku h GLU 169 Ca -0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.02 1iku h GLU 169 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 1iku h GLU 169 CO 0.48 0.00 0.00 1.17 0.07 0.00 0.00 179.01 180.73 1iku n LYS 170 N -3.53 0.00 -0.32 1.06 4.81 -1.26 -2.39 118.16 116.54 1iku n LYS 170 Ca 0.16 0.35 0.14 0.00 -0.87 0.00 0.00 58.31 58.09 1iku n LYS 170 Cb 1.07 -0.85 0.28 0.00 0.02 0.00 0.00 35.03 35.55 1iku n LYS 170 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1iku h GLU 171 N 0.00 0.05 0.54 1.64 4.81 -1.79 1.15 114.58 120.99 1iku h GLU 171 Ca 0.00 -0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 1iku h GLU 171 Cb 0.00 -0.01 0.01 0.00 0.63 0.00 0.00 28.75 29.37 1iku h GLU 171 CO 0.00 0.03 -0.26 0.35 -0.73 0.00 0.00 179.01 178.40 1iku h PHE 172 N 0.05 -0.68 0.43 0.92 3.57 -0.78 1.16 116.94 121.62 1iku h PHE 172 Ca 0.57 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 62.04 1iku h PHE 172 Cb 1.17 0.22 0.00 0.00 2.79 0.00 0.00 35.95 40.14 1iku h PHE 172 CO -0.43 -0.37 -0.21 0.82 -2.23 0.00 0.00 178.31 175.89 1iku h ILE 173 N -0.87 0.00 -0.71 1.41 1.08 -0.40 -2.32 117.51 115.70 1iku h ILE 173 Ca -0.07 -0.03 0.21 0.00 -0.39 0.00 0.00 64.86 64.57 1iku h ILE 173 Cb 0.61 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 34.34 1iku h ILE 173 CO 0.12 0.00 0.57 -0.08 -0.69 0.00 0.00 178.15 178.08 1iku h GLU 174 N -0.62 0.00 -0.58 2.37 4.81 0.11 0.30 114.58 120.97 1iku h GLU 174 Ca -0.06 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.12 1iku h GLU 174 Cb 0.45 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.80 1iku h GLU 174 CO 0.10 0.00 0.17 0.78 -0.73 0.00 0.00 179.01 179.33 1iku h GLY 175 N 0.00 0.95 0.00 1.92 0.00 0.19 0.20 103.07 106.33 1iku h GLY 175 Ca 0.34 -0.53 -0.10 0.00 0.00 0.00 0.00 47.33 47.04 1iku h GLY 175 CO -0.00 0.50 -0.57 -0.91 0.00 0.00 0.00 176.54 175.56 1iku h THR 176 N 0.86 1.24 -0.86 4.70 1.35 0.03 -2.29 112.91 117.93 1iku h THR 176 Ca 0.19 -2.14 0.03 0.00 -0.55 0.00 0.00 66.41 63.94 1iku h THR 176 Cb 0.26 2.55 -0.05 0.00 -1.73 0.00 0.00 68.15 69.19 1iku h THR 176 CO -0.01 0.42 0.56 0.25 -0.25 0.00 0.00 175.52 176.49 1iku h LEU 177 N -1.00 0.93 0.03 3.87 5.85 -1.12 -3.10 115.31 120.77 1iku h LEU 177 Ca -0.15 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.56 1iku h LEU 177 Cb 1.06 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.88 1iku h LEU 177 CO -0.09 0.64 -0.02 0.00 -0.34 0.00 0.00 178.44 178.63 1iku h ALA 178 N 1.35 -0.04 -2.61 1.25 0.00 -0.75 -3.43 119.26 115.03 1iku h ALA 178 Ca 0.34 -0.34 -0.59 0.00 0.00 0.00 0.00 54.91 54.31 1iku h ALA 178 Cb -0.00 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 17.71 1iku h ALA 178 CO -0.11 -0.13 0.09 1.21 0.00 0.00 0.00 179.25 180.31 1iku s ASN 179 N -5.88 6.69 0.26 0.00 3.04 -0.86 -4.94 114.94 113.25 1iku s ASN 179 Ca -0.16 0.83 0.11 0.00 0.04 0.00 0.00 52.86 53.68 1iku s ASN 179 Cb -0.01 -2.34 0.32 0.00 -1.54 0.00 0.00 41.25 37.68 1iku s ASN 179 CO 0.60 -0.24 1.59 0.11 -3.04 0.00 0.00 177.10 176.11 1iku h LYS 180 N 7.41 0.00 0.00 0.43 1.57 -1.85 -3.04 116.57 121.09 1iku h LYS 180 Ca -0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 1iku h LYS 180 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.46 1iku h LYS 180 CO 0.77 0.64 0.00 0.39 -0.57 0.00 0.00 179.45 180.68 1iku n GLU 181 N -3.74 0.00 -0.29 3.15 4.71 -1.26 -0.91 120.64 122.30 1iku n GLU 181 Ca -0.01 0.57 0.12 0.00 -0.01 0.00 0.00 57.16 57.82 1iku n GLU 181 Cb 0.64 -1.49 0.27 0.00 -1.01 0.00 0.00 31.44 29.85 1iku n GLU 181 CO 0.00 0.00 0.00 0.82 0.09 0.00 0.00 177.13 178.04 1iku h ILE 182 N 0.00 0.34 -0.93 -3.67 2.04 -1.85 0.81 117.51 114.25 1iku h ILE 182 Ca 0.00 -0.07 0.13 0.00 1.00 0.00 0.00 64.86 65.91 1iku h ILE 182 Cb 0.00 0.11 -0.07 0.00 -0.74 0.00 0.00 36.82 36.12 1iku h ILE 182 CO 0.00 0.04 0.59 0.25 0.00 0.00 0.00 178.15 179.03 1iku h LEU 183 N 0.21 0.77 -0.48 1.44 5.85 -1.37 0.70 115.31 122.43 1iku h LEU 183 Ca 0.53 0.04 0.00 0.00 0.84 0.00 0.00 57.88 59.29 1iku h LEU 183 Cb 1.04 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.95 1iku h LEU 183 CO -0.64 0.41 0.00 0.03 -0.34 0.00 0.00 178.44 177.90 1iku h ARG 184 N 0.83 0.00 -0.00 1.25 2.47 0.25 -2.88 114.38 116.30 1iku h ARG 184 Ca 0.46 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.18 1iku h ARG 184 Cb 0.58 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.90 1iku h ARG 184 CO -0.22 0.00 -0.69 1.28 0.56 0.00 0.00 179.97 180.91 1iku n LEU 185 N -2.41 1.10 -0.08 3.04 4.77 0.19 -4.47 117.00 119.14 1iku n LEU 185 Ca 0.03 -0.58 -0.09 0.00 -0.03 0.00 0.00 56.01 55.34 1iku n LEU 185 Cb 0.33 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.39 1iku n LEU 185 CO 0.25 0.24 -0.50 0.00 -1.33 0.00 0.00 177.39 176.06 1iku n ILE 186 N -1.01 1.46 0.52 -0.08 0.00 0.18 -4.17 119.36 116.26 1iku n ILE 186 Ca 0.05 0.14 0.00 0.00 0.00 0.00 0.00 62.75 62.93 1iku n ILE 186 Cb 0.30 -2.31 0.00 0.00 0.00 0.00 0.00 39.64 37.64 1iku n ILE 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1iku n GLN 187 N -4.54 0.42 -3.65 9.51 10.64 -1.14 -4.56 117.38 124.06 1iku n GLN 187 Ca -0.15 0.00 -0.00 0.00 -1.83 0.00 0.00 57.00 55.02 1iku n GLN 187 Cb 0.41 -1.16 -0.06 0.00 -0.86 0.00 0.00 30.24 28.57 1iku n GLN 187 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.06 175.35 1iku s PHE 188 N -1.25 -0.11 0.00 2.61 5.36 -1.26 -4.54 117.98 118.79 1iku s PHE 188 Ca 0.00 0.24 0.00 0.00 -0.96 0.00 0.00 56.93 56.21 1iku s PHE 188 Cb 0.00 0.23 0.00 0.00 -0.34 0.00 0.00 43.02 42.91 1iku s PHE 188 CO 0.00 -0.05 0.00 0.39 -1.46 0.00 0.00 175.22 174.10