#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iku n ASN 3 N 0.00 -1.31 0.08 1.61 5.03 -1.26 -4.96 115.26 114.45 1iku n ASN 3 Ca 0.00 -2.32 -0.18 0.00 0.87 0.00 0.00 54.58 52.95 1iku n ASN 3 Cb 0.00 2.29 -0.14 0.00 -1.02 0.00 0.00 39.78 40.91 1iku n ASN 3 CO 0.00 0.00 0.00 0.77 -1.83 0.00 0.00 177.26 176.20 1iku h SER 4 N 1.47 0.45 -0.30 6.41 4.64 -2.00 -3.28 113.55 120.94 1iku h SER 4 Ca -0.22 -0.59 -0.10 0.00 -0.47 0.00 0.00 61.79 60.41 1iku h SER 4 Cb 0.90 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.82 1iku h SER 4 CO 0.29 1.49 -0.15 0.11 -0.87 0.00 0.00 176.83 177.70 1iku h LYS 5 N 0.08 0.74 -0.05 4.77 1.57 -1.99 -2.50 116.57 119.18 1iku h LYS 5 Ca -0.23 -0.26 -0.03 0.00 -1.87 0.00 0.00 60.65 58.26 1iku h LYS 5 Cb 2.03 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 34.28 1iku h LYS 5 CO 0.18 0.85 -0.09 0.77 -0.57 0.00 0.00 179.45 180.59 1iku h SER 6 N 0.66 0.07 0.87 0.86 0.02 -1.96 -0.82 113.55 113.25 1iku h SER 6 Ca 0.11 -0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 60.96 1iku h SER 6 Cb 0.63 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.14 1iku h SER 6 CO 0.04 0.18 -0.41 1.23 -1.14 0.00 0.00 176.83 176.73 1iku h GLY 7 N 0.43 0.00 0.31 -3.77 0.00 -1.51 -3.07 103.07 95.46 1iku h GLY 7 Ca 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.35 1iku h GLY 7 CO 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 176.54 176.53 1iku h ALA 8 N 1.59 -0.05 -0.98 3.60 0.00 -1.00 -3.08 119.26 119.33 1iku h ALA 8 Ca -0.00 -0.31 0.21 0.00 0.00 0.00 0.00 54.91 54.80 1iku h ALA 8 Cb 0.96 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.68 1iku h ALA 8 CO 0.05 -0.19 0.62 -0.07 0.00 0.00 0.00 179.25 179.67 1iku h LEU 9 N -0.74 0.59 -0.99 0.00 3.38 -1.42 0.35 115.31 116.48 1iku h LEU 9 Ca -0.01 0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 1iku h LEU 9 Cb 0.64 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 1iku h LEU 9 CO 0.01 0.20 0.28 0.28 0.09 0.00 0.00 178.44 179.30 1iku h SER 10 N 0.57 0.92 0.70 -0.43 0.02 -1.54 -1.17 113.55 112.62 1iku h SER 10 Ca 0.54 -0.13 -0.03 0.00 -0.84 0.00 0.00 61.79 61.34 1iku h SER 10 Cb 1.11 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.41 1iku h SER 10 CO -0.29 0.81 -0.37 0.50 -1.14 0.00 0.00 176.83 176.34 1iku h LYS 11 N 0.98 -0.95 -0.66 3.45 3.64 -0.22 0.35 116.57 123.17 1iku h LYS 11 Ca 0.23 0.06 0.06 0.00 -1.27 0.00 0.00 60.65 59.74 1iku h LYS 11 Cb 0.18 0.22 -0.06 0.00 -0.41 0.00 0.00 32.23 32.16 1iku h LYS 11 CO -0.02 -0.63 0.36 1.49 -2.27 0.00 0.00 179.45 178.37 1iku h GLU 12 N -0.98 0.64 0.12 1.90 4.22 -1.34 0.13 114.58 119.25 1iku h GLU 12 Ca -0.09 -0.04 -0.01 0.00 0.08 0.00 0.00 59.36 59.30 1iku h GLU 12 Cb 0.77 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1iku h GLU 12 CO 0.13 0.42 -0.06 0.82 -2.18 0.00 0.00 179.01 178.15 1iku h ILE 13 N 0.65 0.00 -0.59 2.32 2.04 -1.00 -1.80 117.51 119.14 1iku h ILE 13 Ca 0.30 -0.03 0.17 0.00 1.00 0.00 0.00 64.86 66.30 1iku h ILE 13 Cb 0.21 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.26 1iku h ILE 13 CO -0.19 0.00 0.76 -0.07 0.00 0.00 0.00 178.15 178.65 1iku h LEU 14 N -0.19 0.00 -0.07 1.44 3.38 -0.29 0.72 115.31 120.31 1iku h LEU 14 Ca -0.02 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.70 1iku h LEU 14 Cb 0.12 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.88 1iku h LEU 14 CO 0.03 0.00 -1.00 -0.08 0.09 0.00 0.00 178.44 177.48 1iku h GLU 15 N 0.00 0.62 0.00 1.13 4.81 -0.75 -3.22 114.58 117.16 1iku h GLU 15 Ca 0.28 -0.65 -0.15 0.00 -0.13 0.00 0.00 59.36 58.71 1iku h GLU 15 Cb 1.80 0.18 -0.02 0.00 0.63 0.00 0.00 28.75 31.34 1iku h GLU 15 CO -0.00 1.25 -0.72 0.93 -0.73 0.00 0.00 179.01 179.74 1iku h GLU 16 N 0.35 0.00 -0.13 1.92 5.08 0.13 -3.34 114.58 118.58 1iku h GLU 16 Ca -0.11 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1iku h GLU 16 Cb 1.64 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.87 1iku h GLU 16 CO 0.19 0.72 -0.13 1.25 -1.00 0.00 0.00 179.01 180.04 1iku h LEU 17 N 0.00 -0.44 0.00 1.33 6.46 -1.12 -3.46 115.31 118.08 1iku h LEU 17 Ca -0.01 0.06 0.00 0.00 -0.12 0.00 0.00 57.88 57.81 1iku h LEU 17 Cb 1.36 0.19 0.00 0.00 -0.73 0.00 0.00 40.66 41.47 1iku h LEU 17 CO 0.09 -0.08 0.00 1.67 -0.62 0.00 0.00 178.44 179.51 1iku n GLN 18 N -3.37 0.00 0.00 1.25 7.27 -1.25 -4.91 117.38 116.37 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 0.07 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.72 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 -3.05 1.69 4.77 -1.25 -5.08 117.00 114.08 1iku n LEU 19 Ca 0.00 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.02 1iku n LEU 19 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1iku n LEU 19 CO 0.00 0.00 0.43 0.21 -1.33 0.00 0.00 177.39 176.70 1iku s ASN 20 N -1.16 -0.60 -0.17 -1.43 3.84 -1.26 -4.89 114.94 109.27 1iku s ASN 20 Ca 0.00 -0.06 -0.02 0.00 0.21 0.00 0.00 52.86 52.99 1iku s ASN 20 Cb 0.00 1.16 -0.01 0.00 -0.55 0.00 0.00 41.25 41.85 1iku s ASN 20 CO 0.00 -0.10 -0.09 0.28 -2.79 0.00 0.00 177.10 174.41 1iku s THR 21 N 2.59 3.24 -1.33 -5.21 -1.32 -1.26 -4.60 115.64 107.75 1iku s THR 21 Ca 0.21 -0.57 0.14 0.00 -1.21 0.00 0.00 61.69 60.27 1iku s THR 21 Cb -0.01 -2.42 0.34 0.00 -1.51 0.00 0.00 72.50 68.90 1iku s THR 21 CO -0.20 0.48 1.25 1.17 -2.21 0.00 0.00 174.62 175.12 1iku n LYS 22 N 4.05 2.45 -2.72 7.08 4.81 -1.26 -4.96 118.16 127.62 1iku n LYS 22 Ca -0.18 -2.04 -0.40 0.00 -0.87 0.00 0.00 58.31 54.82 1iku n LYS 22 Cb 0.52 -1.33 -0.06 0.00 0.02 0.00 0.00 35.03 34.18 1iku n LYS 22 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 1iku s PHE 23 N -1.04 3.92 1.26 5.64 0.40 -1.26 -5.03 117.98 121.87 1iku s PHE 23 Ca 0.27 1.88 -0.18 0.00 -0.60 0.00 0.00 56.93 58.30 1iku s PHE 23 Cb 0.15 -3.02 0.28 0.00 0.51 0.00 0.00 43.02 40.94 1iku s PHE 23 CO 0.20 0.32 0.66 2.41 0.70 0.00 0.00 175.22 179.51 1iku n THR 24 N 1.65 0.00 -0.07 0.64 -1.04 -1.26 -4.90 114.28 109.30 1iku n THR 24 Ca -0.01 -0.19 -0.13 0.00 -2.04 0.00 0.00 64.05 61.67 1iku n THR 24 Cb 0.47 -0.83 -0.12 0.00 -1.82 0.00 0.00 70.33 68.02 1iku n THR 24 CO 0.00 0.00 0.00 1.05 -0.64 0.00 0.00 175.07 175.48 1iku h GLU 25 N -2.99 -0.00 -0.90 -2.82 9.09 -1.93 -3.28 114.58 111.76 1iku h GLU 25 Ca -0.46 0.00 0.20 0.00 0.05 0.00 0.00 59.36 59.16 1iku h GLU 25 Cb 1.23 0.00 -0.12 0.00 -1.65 0.00 0.00 28.75 28.21 1iku h GLU 25 CO 0.32 0.95 0.43 0.93 0.05 0.00 0.00 179.01 181.69 1iku h GLU 26 N -0.99 0.47 -0.07 1.06 4.39 -1.90 0.15 114.58 117.67 1iku h GLU 26 Ca -0.00 -0.03 0.04 0.00 0.34 0.00 0.00 59.36 59.71 1iku h GLU 26 Cb 0.95 -0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 29.44 1iku h GLU 26 CO 0.00 0.31 -0.28 0.93 -1.16 0.00 0.00 179.01 178.81 1iku h GLU 27 N 0.48 -0.37 -0.02 2.33 4.39 -1.93 0.34 114.58 119.80 1iku h GLU 27 Ca 0.55 0.03 0.01 0.00 0.34 0.00 0.00 59.36 60.28 1iku h GLU 27 Cb 0.98 0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.71 1iku h GLU 27 CO -0.48 -0.25 0.03 -0.07 -1.16 0.00 0.00 179.01 177.08 1iku h LEU 28 N -0.39 0.00 0.39 1.33 3.38 -1.08 -0.99 115.31 117.96 1iku h LEU 28 Ca 0.08 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1iku h LEU 28 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1iku h LEU 28 CO -0.29 0.00 -0.19 -1.28 0.09 0.00 0.00 178.44 176.77 1iku h SER 29 N 0.00 -0.44 0.29 -0.43 0.87 0.90 0.24 113.55 114.99 1iku h SER 29 Ca 0.01 -0.12 -0.05 0.00 -1.23 0.00 0.00 61.79 60.40 1iku h SER 29 Cb 0.06 0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 1iku h SER 29 CO -0.00 -0.10 -0.22 -1.28 -0.53 0.00 0.00 176.83 174.71 1iku h SER 30 N -0.83 0.00 -0.03 6.23 0.87 -0.74 -2.74 113.55 116.32 1iku h SER 30 Ca -0.05 0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.33 1iku h SER 30 Cb 0.54 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.51 1iku h SER 30 CO 0.09 0.22 -0.65 -0.25 -0.53 0.00 0.00 176.83 175.70 1iku h TRP 31 N 0.00 0.72 0.27 2.24 7.01 -1.06 -2.21 115.95 122.93 1iku h TRP 31 Ca -0.00 -0.37 -0.01 0.00 2.11 0.00 0.00 58.89 60.62 1iku h TRP 31 Cb 0.42 -0.09 -0.01 0.00 -2.10 0.00 0.00 29.16 27.38 1iku h TRP 31 CO 0.00 1.18 -0.26 -0.92 -2.79 0.00 0.00 178.44 175.65 1iku h TYR 32 N 0.05 -0.71 0.30 2.65 3.20 -0.23 1.09 116.97 123.32 1iku h TYR 32 Ca -0.07 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.80 1iku h TYR 32 Cb 1.33 0.27 -0.03 0.00 1.54 0.00 0.00 36.73 39.85 1iku h TYR 32 CO 0.13 -0.35 -0.39 1.96 -1.64 0.00 0.00 178.16 177.87 1iku h GLN 33 N -0.53 -0.72 -0.22 1.82 7.50 -1.64 0.36 115.11 121.68 1iku h GLN 33 Ca -0.04 0.05 0.06 0.00 0.50 0.00 0.00 58.65 59.23 1iku h GLN 33 Cb 0.45 0.16 -0.01 0.00 0.05 0.00 0.00 27.48 28.14 1iku h GLN 33 CO -0.02 -0.48 0.20 1.03 -1.50 0.00 0.00 178.83 178.06 1iku h SER 34 N -0.74 0.00 0.10 1.46 0.87 -1.34 0.21 113.55 114.10 1iku h SER 34 Ca -0.01 0.00 -0.19 0.00 -1.23 0.00 0.00 61.79 60.36 1iku h SER 34 Cb 0.70 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.68 1iku h SER 34 CO -0.12 0.00 -0.79 0.15 -0.53 0.00 0.00 176.83 175.53 1iku h PHE 35 N 0.00 0.61 0.00 2.24 3.57 0.23 -2.83 116.94 120.77 1iku h PHE 35 Ca 0.11 -0.40 0.00 0.00 3.53 0.00 0.00 57.97 61.20 1iku h PHE 35 Cb 0.50 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.20 1iku h PHE 35 CO 0.00 1.28 0.00 1.28 -2.23 0.00 0.00 178.31 178.64 1iku n LEU 36 N -4.12 0.00 0.03 0.59 4.77 0.01 -2.61 117.00 115.66 1iku n LEU 36 Ca -0.13 0.48 -0.21 0.00 -0.03 0.00 0.00 56.01 56.12 1iku n LEU 36 Cb 0.79 -0.48 -0.14 0.00 -2.33 0.00 0.00 43.42 41.26 1iku n LEU 36 CO 0.49 -0.03 -0.30 0.11 -1.33 0.00 0.00 177.39 176.33 1iku h LYS 37 N 0.00 0.28 -0.33 3.23 1.79 -0.61 -3.36 116.57 117.57 1iku h LYS 37 Ca 0.00 -0.48 -0.17 0.00 -2.18 0.00 0.00 60.65 57.82 1iku h LYS 37 Cb 0.45 0.18 -0.00 0.00 -1.58 0.00 0.00 32.23 31.27 1iku h LYS 37 CO 0.00 1.23 -0.47 0.93 -1.08 0.00 0.00 179.45 180.06 1iku h GLU 38 N -0.28 0.89 -6.72 3.15 5.08 -1.51 -3.44 114.58 111.74 1iku h GLU 38 Ca -0.26 -0.51 -0.58 0.00 -1.00 0.00 0.00 59.36 57.01 1iku h GLU 38 Cb 1.77 0.04 0.14 0.00 0.50 0.00 0.00 28.75 31.20 1iku h GLU 38 CO 0.10 1.16 0.15 0.00 -1.00 0.00 0.00 179.01 179.41 1iku h PRO 40 N 1.15 -0.93 -0.66 0.00 0.10 -1.86 -3.37 132.00 126.43 1iku h PRO 40 Ca -0.46 0.06 -0.29 0.00 0.10 0.00 0.00 66.00 65.41 1iku h PRO 40 Cb 1.35 0.21 -0.40 0.00 0.10 0.00 0.00 31.00 32.26 1iku h PRO 40 CO 0.54 -0.62 -1.14 0.45 0.10 0.00 0.00 178.00 177.33 1iku n SER 41 N -5.54 1.60 0.00 -2.05 2.88 -1.26 -4.93 113.62 104.33 1iku n SER 41 Ca -0.12 -2.32 0.00 0.00 -1.33 0.00 0.00 58.87 55.10 1iku n SER 41 Cb 0.43 -0.50 0.00 0.00 -0.75 0.00 0.00 64.21 63.39 1iku n SER 41 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1iku n GLY 42 N -0.40 0.07 3.85 0.46 0.00 -1.26 -4.93 105.19 102.98 1iku n GLY 42 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.28 3.92 0.02 1.61 0.52 -1.26 -3.22 118.95 119.26 1iku s ARG 43 Ca 0.00 0.41 0.01 0.00 -0.52 0.00 0.00 55.73 55.63 1iku s ARG 43 Cb 0.00 -2.89 -0.02 0.00 0.52 0.00 0.00 34.95 32.56 1iku s ARG 43 CO 0.00 0.46 -0.04 0.96 0.02 0.00 0.00 175.30 176.70 1iku s ILE 44 N -1.51 0.22 0.56 1.52 -4.36 -0.60 -4.75 121.20 112.28 1iku s ILE 44 Ca 0.39 -0.89 0.02 0.00 -0.26 0.00 0.00 60.65 59.91 1iku s ILE 44 Cb -0.14 -0.34 0.05 0.00 1.25 0.00 0.00 42.46 43.28 1iku s ILE 44 CO 0.19 -0.43 0.79 0.42 0.24 0.00 0.00 174.94 176.15 1iku s THR 45 N -1.33 2.60 0.07 8.37 -4.23 -1.26 -1.60 115.64 118.26 1iku s THR 45 Ca -0.13 -0.70 -0.30 0.00 -1.18 0.00 0.00 61.69 59.38 1iku s THR 45 Cb -0.09 -2.90 -0.14 0.00 1.34 0.00 0.00 72.50 70.70 1iku s THR 45 CO -0.01 0.00 1.47 -0.09 -0.54 0.00 0.00 174.62 175.45 1iku h ARG 46 N 0.04 -0.81 -0.13 3.99 2.43 -1.96 -0.39 114.38 117.55 1iku h ARG 46 Ca -0.40 0.06 0.04 0.00 -0.81 0.00 0.00 59.98 58.86 1iku h ARG 46 Cb 1.29 0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 31.02 1iku h ARG 46 CO 0.49 -0.54 0.59 0.37 -1.51 0.00 0.00 179.97 179.37 1iku h GLN 47 N -0.84 0.00 0.07 0.20 4.15 -1.95 -0.08 115.11 116.65 1iku h GLN 47 Ca -0.05 0.00 -0.27 0.00 0.77 0.00 0.00 58.65 59.10 1iku h GLN 47 Cb 0.74 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.41 1iku h GLN 47 CO -0.06 0.00 -1.44 0.93 -1.93 0.00 0.00 178.83 176.32 1iku h GLU 48 N 0.00 0.15 0.01 1.69 4.39 -1.58 -3.33 114.58 115.91 1iku h GLU 48 Ca 0.06 -0.26 0.02 0.00 0.34 0.00 0.00 59.36 59.52 1iku h GLU 48 Cb 1.25 0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.97 1iku h GLU 48 CO -0.00 1.12 -0.09 0.35 -1.16 0.00 0.00 179.01 179.23 1iku h PHE 49 N -0.49 -0.24 -1.09 4.33 3.04 0.54 -1.53 116.94 121.51 1iku h PHE 49 Ca -0.34 0.01 0.30 0.00 3.98 0.00 0.00 57.97 61.92 1iku h PHE 49 Cb 1.63 0.10 -0.11 0.00 2.56 0.00 0.00 35.95 40.14 1iku h PHE 49 CO 0.11 -0.14 0.68 0.37 -2.02 0.00 0.00 178.31 177.31 1iku h GLN 50 N -0.16 0.34 -0.37 1.11 4.15 -1.58 0.37 115.11 118.97 1iku h GLN 50 Ca 0.03 -0.02 -0.06 0.00 0.77 0.00 0.00 58.65 59.37 1iku h GLN 50 Cb 0.21 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.81 1iku h GLN 50 CO -0.09 0.22 -0.02 1.15 -1.93 0.00 0.00 178.83 178.17 1iku h THR 51 N 0.35 1.26 -0.43 2.39 2.02 -1.40 -0.80 112.91 116.29 1iku h THR 51 Ca 0.66 -1.02 -0.15 0.00 0.77 0.00 0.00 66.41 66.67 1iku h THR 51 Cb 1.70 1.19 -0.01 0.00 -1.74 0.00 0.00 68.15 69.30 1iku h THR 51 CO -0.38 0.34 -0.30 0.40 0.37 0.00 0.00 175.52 175.95 1iku h ILE 52 N 0.47 1.27 -0.37 3.11 2.04 -0.06 -0.92 117.51 123.05 1iku h ILE 52 Ca 0.10 -1.47 -0.07 0.00 1.00 0.00 0.00 64.86 64.42 1iku h ILE 52 Cb 0.49 1.26 -0.02 0.00 -0.74 0.00 0.00 36.82 37.81 1iku h ILE 52 CO 0.02 0.50 -0.07 0.22 0.00 0.00 0.00 178.15 178.82 1iku h TYR 53 N 0.81 0.67 0.00 1.37 3.20 -0.62 0.15 116.97 122.54 1iku h TYR 53 Ca 0.09 -0.10 -0.08 0.00 3.14 0.00 0.00 58.73 61.77 1iku h TYR 53 Cb 0.89 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.96 1iku h TYR 53 CO 0.06 0.68 -0.44 0.66 -1.64 0.00 0.00 178.16 177.48 1iku h SER 54 N 0.58 0.00 0.64 -2.11 4.64 -1.01 -1.91 113.55 114.38 1iku h SER 54 Ca 0.11 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.17 1iku h SER 54 Cb 0.47 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.52 1iku h SER 54 CO 0.02 0.40 -1.51 0.50 -0.87 0.00 0.00 176.83 175.37 1iku h LYS 55 N 0.00 0.00 0.00 4.77 3.64 -0.78 -3.20 116.57 121.00 1iku h LYS 55 Ca -0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1iku h LYS 55 Cb 1.31 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.13 1iku h LYS 55 CO 0.05 0.60 -0.95 1.19 -2.27 0.00 0.00 179.45 178.07 1iku n PHE 56 N -3.11 0.75 -3.12 1.91 3.01 0.50 -4.57 117.46 112.84 1iku n PHE 56 Ca -0.12 0.22 -0.20 0.00 1.01 0.00 0.00 57.45 58.35 1iku n PHE 56 Cb 1.01 -0.80 -0.05 0.00 -0.01 0.00 0.00 39.48 39.63 1iku n PHE 56 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1iku n PHE 57 N -2.43 -1.24 -0.90 1.38 3.72 -0.72 -4.41 117.46 112.86 1iku n PHE 57 Ca 0.01 -3.04 -0.30 0.00 -0.05 0.00 0.00 57.45 54.06 1iku n PHE 57 Cb 0.51 0.23 0.16 0.00 -0.94 0.00 0.00 39.48 39.44 1iku n PHE 57 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 1iku s PRO 58 N -0.48 1.06 -1.44 -1.08 0.02 -1.21 -3.48 135.00 128.38 1iku s PRO 58 Ca 0.34 1.23 -0.01 0.00 0.02 0.00 0.00 61.00 62.58 1iku s PRO 58 Cb 0.15 -1.76 0.01 0.00 0.02 0.00 0.00 34.50 32.92 1iku s PRO 58 CO -0.15 -2.49 0.35 -1.91 -0.33 0.00 0.00 177.00 172.46 1iku n GLU 59 N -4.11 -2.83 -0.61 5.54 0.00 -1.26 -4.83 120.64 112.54 1iku n GLU 59 Ca 0.09 0.34 0.01 0.00 0.00 0.00 0.00 57.16 57.60 1iku n GLU 59 Cb 0.53 -4.36 0.01 0.00 0.00 0.00 0.00 31.44 27.62 1iku n GLU 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1iku n ALA 60 N -4.44 2.07 -1.15 4.31 0.00 -1.23 -5.03 120.51 115.06 1iku n ALA 60 Ca -0.30 -1.26 0.00 0.00 0.00 0.00 0.00 53.44 51.88 1iku n ALA 60 Cb 0.68 -0.53 0.00 0.00 0.00 0.00 0.00 19.45 19.61 1iku n ALA 60 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1iku n ASP 61 N -0.00 -6.33 0.31 0.00 8.00 -1.26 -4.32 116.55 112.95 1iku n ASP 61 Ca 0.02 0.79 0.19 0.00 0.71 0.00 0.00 54.79 56.50 1iku n ASP 61 Cb 0.76 -2.68 1.04 0.00 -0.02 0.00 0.00 41.12 40.22 1iku n ASP 61 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1iku h PRO 62 N 1.90 0.00 -1.20 -0.24 0.13 -1.98 -3.27 132.00 127.34 1iku h PRO 62 Ca 0.00 0.00 -0.41 0.00 -0.87 0.00 0.00 66.00 64.72 1iku h PRO 62 Cb 0.00 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 30.84 1iku h PRO 62 CO 0.00 0.01 -0.87 0.36 -0.23 0.00 0.00 178.00 177.27 1iku n LYS 63 N -3.39 0.83 0.00 0.86 2.85 -1.26 -4.89 118.16 113.15 1iku n LYS 63 Ca -0.03 -2.69 0.00 0.00 -1.05 0.00 0.00 58.31 54.55 1iku n LYS 63 Cb 0.10 -1.36 0.00 0.00 -0.65 0.00 0.00 35.03 33.13 1iku n LYS 63 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1iku n ALA 64 N 1.07 0.00 -0.02 0.58 0.00 -1.24 -4.73 120.51 116.18 1iku n ALA 64 Ca 0.17 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.59 1iku n ALA 64 Cb 0.61 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.05 1iku n ALA 64 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1iku n TYR 65 N 0.00 0.25 0.27 0.00 9.36 -1.26 -4.15 117.16 121.63 1iku n TYR 65 Ca 0.00 0.11 0.03 0.00 3.32 0.00 0.00 57.90 61.36 1iku n TYR 65 Cb 0.00 -0.38 0.15 0.00 -0.63 0.00 0.00 39.34 38.47 1iku n TYR 65 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1iku h ALA 66 N -1.72 1.69 0.06 2.98 0.00 -1.97 -0.48 119.26 119.82 1iku h ALA 66 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1iku h ALA 66 Cb 0.15 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1iku h ALA 66 CO 0.00 -0.69 -0.29 0.37 0.00 0.00 0.00 179.25 178.64 1iku h GLN 67 N 0.00 -0.46 -0.79 0.00 5.75 -1.85 -1.09 115.11 116.68 1iku h GLN 67 Ca 0.00 0.03 0.04 0.00 -0.15 0.00 0.00 58.65 58.57 1iku h GLN 67 Cb 1.54 0.10 -0.05 0.00 1.07 0.00 0.00 27.48 30.14 1iku h GLN 67 CO 0.00 -0.31 0.49 1.12 -2.65 0.00 0.00 178.83 177.49 1iku h HIS 68 N -0.48 0.92 -0.61 3.99 2.07 -1.32 -1.90 115.15 117.83 1iku h HIS 68 Ca 0.05 0.03 0.08 0.00 -2.85 0.00 0.00 60.37 57.68 1iku h HIS 68 Cb 0.53 -0.30 -0.07 0.00 2.57 0.00 0.00 27.41 30.15 1iku h HIS 68 CO -0.29 0.51 0.26 0.28 -3.07 0.00 0.00 177.93 175.62 1iku h VAL 69 N 0.95 0.83 0.40 6.12 2.07 -1.50 0.32 116.25 125.44 1iku h VAL 69 Ca 0.32 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.67 1iku h VAL 69 Cb 0.06 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 1iku h VAL 69 CO -0.13 0.09 -0.27 0.15 0.02 0.00 0.00 177.57 177.43 1iku h PHE 70 N 0.47 -0.70 0.00 1.57 3.04 -0.44 -2.02 116.94 118.86 1iku h PHE 70 Ca 0.30 -0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.23 1iku h PHE 70 Cb 0.32 0.25 -0.00 0.00 2.56 0.00 0.00 35.95 39.08 1iku h PHE 70 CO -0.14 -0.41 -0.08 -0.09 -2.02 0.00 0.00 178.31 175.57 1iku h ARG 71 N -0.65 0.00 -0.28 1.11 1.12 -0.97 -2.51 114.38 112.21 1iku h ARG 71 Ca -0.04 0.00 0.03 0.00 -1.11 0.00 0.00 59.98 58.86 1iku h ARG 71 Cb 0.54 0.00 -0.03 0.00 -0.01 0.00 0.00 29.97 30.47 1iku h ARG 71 CO 0.03 0.08 0.07 1.03 -3.11 0.00 0.00 179.97 178.07 1iku h SER 72 N 0.00 0.05 -0.00 -3.80 0.87 0.36 0.44 113.55 111.48 1iku h SER 72 Ca -0.00 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 1iku h SER 72 Cb 0.15 0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 62.15 1iku h SER 72 CO 0.01 0.06 0.01 -0.26 -0.53 0.00 0.00 176.83 176.12 1iku h PHE 73 N 0.18 0.00 0.00 2.24 -1.00 -1.13 -3.44 116.94 113.79 1iku h PHE 73 Ca 0.13 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.91 1iku h PHE 73 Cb 0.11 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.67 1iku h PHE 73 CO -0.15 0.00 0.00 -3.47 -1.61 0.00 0.00 178.31 173.08 1iku n ASP 74 N -3.14 -4.11 -0.79 2.17 2.03 0.15 -4.58 116.55 108.27 1iku n ASP 74 Ca -0.03 0.00 0.11 0.00 0.52 0.00 0.00 54.79 55.39 1iku n ASP 74 Cb 0.08 -2.64 -0.03 0.00 -0.72 0.00 0.00 41.12 37.81 1iku n ASP 74 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1iku n ALA 75 N 0.75 -2.06 0.07 -1.67 0.00 -1.26 -4.59 120.51 111.75 1iku n ALA 75 Ca 0.00 0.30 -0.22 0.00 0.00 0.00 0.00 53.44 53.52 1iku n ALA 75 Cb 0.34 -0.74 -0.15 0.00 0.00 0.00 0.00 19.45 18.91 1iku n ALA 75 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 1iku h ASN 76 N -0.74 0.57 0.00 0.00 -1.24 -1.42 -3.48 115.58 109.27 1iku h ASN 76 Ca -0.01 -0.92 0.00 0.00 0.71 0.00 0.00 56.30 56.08 1iku h ASN 76 Cb 0.73 -0.19 0.00 0.00 0.73 0.00 0.00 38.32 39.60 1iku h ASN 76 CO 0.01 1.59 0.00 -0.24 -1.29 0.00 0.00 177.43 177.51 1iku n SER 77 N -3.89 -0.05 -0.07 1.15 2.88 -1.26 -5.02 113.62 107.37 1iku n SER 77 Ca -0.19 0.01 -0.05 0.00 -1.33 0.00 0.00 58.87 57.32 1iku n SER 77 Cb 0.96 0.34 -0.02 0.00 -0.75 0.00 0.00 64.21 64.74 1iku n SER 77 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1iku n ASP 78 N -2.31 1.77 -0.00 -3.46 8.00 -1.26 -4.97 116.55 114.32 1iku n ASP 78 Ca 0.00 0.61 0.00 0.00 0.71 0.00 0.00 54.79 56.11 1iku n ASP 78 Cb 0.00 -0.85 0.00 0.00 -0.02 0.00 0.00 41.12 40.25 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 1.61 0.02 3.98 0.44 0.00 -1.26 -5.06 105.19 104.92 1iku n GLY 79 Ca -0.07 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.74 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 0.00 3.18 0.14 2.61 -4.23 -1.26 -3.47 115.64 112.60 1iku s THR 80 Ca 0.00 -0.70 -0.24 0.00 -1.18 0.00 0.00 61.69 59.57 1iku s THR 80 Cb 0.00 -3.16 0.07 0.00 1.34 0.00 0.00 72.50 70.75 1iku s THR 80 CO 0.00 -0.10 0.71 -1.48 -0.54 0.00 0.00 174.62 173.21 1iku s LEU 81 N -4.60 -0.44 0.33 4.79 0.05 -0.63 -1.25 118.68 116.93 1iku s LEU 81 Ca 0.54 -0.13 -0.16 0.00 0.05 0.00 0.00 54.13 54.42 1iku s LEU 81 Cb -0.10 2.46 -0.09 0.00 -2.05 0.00 0.00 46.19 46.40 1iku s LEU 81 CO 0.37 -0.95 0.77 -1.81 -0.55 0.00 0.00 176.35 174.18 1iku s ASP 82 N -2.73 6.83 -0.22 1.48 1.01 -1.26 -1.56 116.67 120.22 1iku s ASP 82 Ca 0.04 1.36 -0.20 0.00 0.71 0.00 0.00 52.55 54.46 1iku s ASP 82 Cb -0.02 -2.40 -0.17 0.00 1.01 0.00 0.00 42.92 41.34 1iku s ASP 82 CO -0.08 -0.20 0.08 0.33 0.21 0.00 0.00 175.17 175.51 1iku n PHE 83 N -0.29 0.80 0.10 4.23 7.35 -1.20 -3.64 117.46 124.80 1iku n PHE 83 Ca 0.03 0.34 -0.16 0.00 -0.76 0.00 0.00 57.45 56.91 1iku n PHE 83 Cb 0.53 -1.07 -0.09 0.00 0.35 0.00 0.00 39.48 39.20 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 -0.69 -0.73 -4.13 1.57 -1.95 0.26 116.57 109.89 1iku h LYS 84 Ca -0.42 0.05 0.04 0.00 -1.87 0.00 0.00 60.65 58.45 1iku h LYS 84 Cb 1.35 0.16 -0.04 0.00 0.08 0.00 0.00 32.23 33.78 1iku h LYS 84 CO -0.25 -0.46 0.48 0.93 -0.57 0.00 0.00 179.45 179.58 1iku h GLU 85 N -0.72 0.85 -0.44 3.15 5.08 -2.00 -1.07 114.58 119.44 1iku h GLU 85 Ca 0.01 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 1iku h GLU 85 Cb 0.74 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 1iku h GLU 85 CO -0.31 0.56 0.02 -0.92 -1.00 0.00 0.00 179.01 177.36 1iku h TYR 86 N 0.87 0.73 0.24 4.33 5.03 -1.33 -2.68 116.97 124.16 1iku h TYR 86 Ca 0.30 -0.09 -0.01 0.00 2.58 0.00 0.00 58.73 61.51 1iku h TYR 86 Cb 0.09 -0.21 0.00 0.00 1.55 0.00 0.00 36.73 38.17 1iku h TYR 86 CO -0.00 0.68 -0.11 0.28 -1.32 0.00 0.00 178.16 177.69 1iku h VAL 87 N 0.66 0.81 0.13 1.81 2.07 0.73 -2.84 116.25 119.62 1iku h VAL 87 Ca 0.14 -0.72 0.01 0.00 0.82 0.00 0.00 66.70 66.94 1iku h VAL 87 Cb 0.39 1.20 -0.04 0.00 -1.52 0.00 0.00 31.29 31.32 1iku h VAL 87 CO 0.01 0.15 -0.48 0.40 0.02 0.00 0.00 177.57 177.68 1iku h ILE 88 N -0.71 0.00 -1.00 4.57 2.04 -1.34 0.14 117.51 121.20 1iku h ILE 88 Ca -0.03 0.00 0.34 0.00 1.00 0.00 0.00 64.86 66.17 1iku h ILE 88 Cb 0.49 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.41 1iku h ILE 88 CO 0.05 0.00 0.57 0.00 0.00 0.00 0.00 178.15 178.77 1iku h ALA 89 N -0.67 2.00 0.15 1.87 0.00 -1.56 0.23 119.26 121.29 1iku h ALA 89 Ca -0.01 0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1iku h ALA 89 Cb 0.69 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1iku h ALA 89 CO -0.25 -0.65 -0.07 -0.07 0.00 0.00 0.00 179.25 178.21 1iku h LEU 90 N 0.26 -0.17 0.01 0.00 3.38 -0.80 -2.89 115.31 115.09 1iku h LEU 90 Ca 0.76 -0.35 -0.00 0.00 0.09 0.00 0.00 57.88 58.38 1iku h LEU 90 Cb 1.79 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 42.58 1iku h LEU 90 CO -0.63 0.31 -0.01 0.45 0.09 0.00 0.00 178.44 178.65 1iku h HIS 91 N -0.71 -0.02 0.00 1.13 3.86 0.11 -2.06 115.15 117.47 1iku h HIS 91 Ca -0.02 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 1iku h HIS 91 Cb 0.51 0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.99 1iku h HIS 91 CO 0.07 -0.01 0.00 -0.12 0.86 0.00 0.00 177.93 178.73 1iku n MET 92 N -2.23 0.00 -0.44 2.45 0.00 -0.38 -2.52 117.12 114.00 1iku n MET 92 Ca -0.00 0.20 0.36 0.00 -0.00 0.00 0.00 57.70 58.26 1iku n MET 92 Cb 0.01 -1.00 0.59 0.00 0.00 0.00 0.00 33.22 32.81 1iku n MET 92 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 1iku n THR 93 N -0.71 -0.15 -0.69 1.12 5.66 -1.09 -4.47 114.28 113.94 1iku n THR 93 Ca 0.00 1.42 -0.28 0.00 -3.05 0.00 0.00 64.05 62.14 1iku n THR 93 Cb 0.00 -2.34 0.24 0.00 -1.55 0.00 0.00 70.33 66.68 1iku n THR 93 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1iku s SER 94 N -4.21 1.26 0.28 1.09 0.15 -0.77 -4.79 113.70 106.70 1iku s SER 94 Ca -0.06 1.41 -0.01 0.00 0.70 0.00 0.00 55.95 57.99 1iku s SER 94 Cb 0.25 -2.18 -0.04 0.00 -1.71 0.00 0.00 66.02 62.34 1iku s SER 94 CO 0.69 -4.01 0.49 0.00 1.20 0.00 0.00 173.24 171.61 1iku s ALA 95 N -2.58 3.73 0.00 5.45 0.00 -1.26 -4.97 121.76 122.13 1iku s ALA 95 Ca 0.68 -0.79 0.00 0.00 0.00 0.00 0.00 51.96 51.85 1iku s ALA 95 Cb -0.24 -2.11 0.00 0.00 0.00 0.00 0.00 23.12 20.77 1iku s ALA 95 CO 0.63 0.22 0.00 0.41 0.00 0.00 0.00 175.76 177.02 1iku n GLY 96 N -1.13 -0.57 3.06 0.00 0.00 -1.26 -4.23 105.19 101.05 1iku n GLY 96 Ca -0.04 0.32 -0.31 0.00 0.00 0.00 0.00 46.02 45.99 1iku n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iku s LYS 97 N 0.00 2.54 0.00 1.61 3.01 -1.26 -5.05 119.74 120.58 1iku s LYS 97 Ca 0.00 -0.73 0.00 0.00 -1.01 0.00 0.00 55.97 54.23 1iku s LYS 97 Cb 0.00 -2.36 0.00 0.00 -1.01 0.00 0.00 37.83 34.46 1iku s LYS 97 CO 0.00 -0.26 0.85 2.41 0.51 0.00 0.00 175.35 178.86 1iku n THR 98 N 4.69 0.00 -0.58 2.17 -1.04 -1.26 -0.71 114.28 117.54 1iku n THR 98 Ca -0.18 1.35 0.46 0.00 -2.04 0.00 0.00 64.05 63.65 1iku n THR 98 Cb 0.49 -2.05 0.76 0.00 -1.82 0.00 0.00 70.33 67.72 1iku n THR 98 CO 0.00 0.00 0.00 -1.13 -0.64 0.00 0.00 175.07 173.30 1iku h ASN 99 N 0.00 0.07 0.95 8.00 -1.24 -1.99 1.10 115.58 122.47 1iku h ASN 99 Ca 0.00 0.05 -0.20 0.00 0.71 0.00 0.00 56.30 56.86 1iku h ASN 99 Cb 0.00 0.04 -0.03 0.00 0.73 0.00 0.00 38.32 39.06 1iku h ASN 99 CO 0.00 -0.06 -0.94 1.56 -1.29 0.00 0.00 177.43 176.69 1iku h GLN 100 N 0.02 0.00 0.03 6.67 1.08 -1.54 -3.15 115.11 118.22 1iku h GLN 100 Ca 0.86 0.00 -0.22 0.00 -1.45 0.00 0.00 58.65 57.84 1iku h GLN 100 Cb 3.24 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 30.66 1iku h GLN 100 CO -0.14 0.94 -0.97 0.87 -0.95 0.00 0.00 178.83 178.58 1iku h LYS 101 N 0.00 0.24 0.17 1.46 1.57 0.35 -3.21 116.57 117.15 1iku h LYS 101 Ca -0.01 -0.30 -0.01 0.00 -1.87 0.00 0.00 60.65 58.46 1iku h LYS 101 Cb 1.67 0.09 0.00 0.00 0.08 0.00 0.00 32.23 34.08 1iku h LYS 101 CO 0.12 1.04 -0.08 -0.07 -0.57 0.00 0.00 179.45 179.89 1iku h LEU 102 N 0.12 -0.20 -1.54 2.94 3.38 -1.42 -2.58 115.31 116.01 1iku h LEU 102 Ca -0.07 0.01 0.49 0.00 0.09 0.00 0.00 57.88 58.40 1iku h LEU 102 Cb 1.63 0.05 -0.12 0.00 0.09 0.00 0.00 40.66 42.31 1iku h LEU 102 CO 0.15 -0.07 1.01 -0.33 0.09 0.00 0.00 178.44 179.29 1iku h GLU 103 N -0.38 0.02 -0.13 1.13 4.39 -1.71 0.94 114.58 118.84 1iku h GLU 103 Ca -0.02 -0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.63 1iku h GLU 103 Cb 0.18 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.82 1iku h GLU 103 CO 0.04 0.01 -0.09 2.35 -1.16 0.00 0.00 179.01 180.16 1iku h TRP 104 N 0.02 0.35 -0.20 4.33 7.01 -1.55 -2.09 115.95 123.82 1iku h TRP 104 Ca 0.88 -0.09 -0.00 0.00 2.11 0.00 0.00 58.89 61.79 1iku h TRP 104 Cb 3.01 -0.08 -0.01 0.00 -2.10 0.00 0.00 29.16 29.98 1iku h TRP 104 CO -0.00 0.65 0.11 0.00 -2.79 0.00 0.00 178.44 176.41 1iku h ALA 105 N 0.64 0.25 -0.79 2.65 0.00 0.13 0.16 119.26 122.30 1iku h ALA 105 Ca 0.03 -0.06 0.09 0.00 0.00 0.00 0.00 54.91 54.97 1iku h ALA 105 Cb 0.57 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.21 1iku h ALA 105 CO 0.02 -0.22 0.43 0.35 0.00 0.00 0.00 179.25 179.84 1iku h PHE 106 N 0.21 0.78 -0.26 0.00 3.04 -1.13 -1.78 116.94 117.80 1iku h PHE 106 Ca 0.07 0.03 -0.14 0.00 3.98 0.00 0.00 57.97 61.90 1iku h PHE 106 Cb 0.07 -0.23 -0.00 0.00 2.56 0.00 0.00 35.95 38.34 1iku h PHE 106 CO -0.04 0.31 -0.40 0.77 -2.02 0.00 0.00 178.31 176.94 1iku h SER 107 N 0.73 0.81 -0.63 0.41 0.02 -1.01 -1.77 113.55 112.11 1iku h SER 107 Ca 0.38 -0.51 0.18 0.00 -0.84 0.00 0.00 61.79 61.00 1iku h SER 107 Cb 0.36 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.65 1iku h SER 107 CO -0.25 1.16 0.50 0.25 -1.14 0.00 0.00 176.83 177.36 1iku h LEU 108 N 0.47 0.00 0.10 5.07 5.85 0.14 -1.87 115.31 125.07 1iku h LEU 108 Ca 0.02 0.00 -0.35 0.00 0.84 0.00 0.00 57.88 58.39 1iku h LEU 108 Cb 0.99 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.00 1iku h LEU 108 CO 0.09 0.00 -1.95 -1.22 -0.34 0.00 0.00 178.44 175.02 1iku n TYR 109 N -4.11 1.14 -1.76 1.25 4.01 -0.85 -4.60 117.16 112.23 1iku n TYR 109 Ca 0.12 0.27 -0.23 0.00 -0.16 0.00 0.00 57.90 57.90 1iku n TYR 109 Cb 0.75 -1.14 -0.09 0.00 -0.31 0.00 0.00 39.34 38.54 1iku n TYR 109 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1iku n ASP 110 N -3.60 2.23 -0.09 7.72 2.03 -0.68 -4.49 116.55 119.67 1iku n ASP 110 Ca -0.33 -2.60 -0.16 0.00 0.52 0.00 0.00 54.79 52.22 1iku n ASP 110 Cb 1.00 -1.67 -0.13 0.00 -0.72 0.00 0.00 41.12 39.59 1iku n ASP 110 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1iku n VAL 111 N 8.27 1.54 0.00 5.18 0.24 -1.26 -4.82 118.33 127.48 1iku n VAL 111 Ca 0.44 -0.67 0.00 0.00 -2.04 0.00 0.00 64.34 62.06 1iku n VAL 111 Cb 0.46 -1.24 0.00 0.00 -1.47 0.00 0.00 33.84 31.59 1iku n VAL 111 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1iku n ASP 112 N -3.18 0.00 0.00 -1.34 9.92 -1.26 -4.99 116.55 115.70 1iku n ASP 112 Ca -0.38 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 53.88 1iku n ASP 112 Cb 1.04 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.52 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 1.93 0.56 0.19 0.44 0.00 -1.26 -4.97 105.19 102.08 1iku n GLY 113 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1iku n GLY 113 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1iku h ASN 114 N 0.00 0.56 0.00 1.61 2.35 -1.95 -3.47 115.58 114.68 1iku h ASN 114 Ca 0.00 -0.21 0.00 0.00 -0.55 0.00 0.00 56.30 55.54 1iku h ASN 114 Cb 0.54 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.76 1iku h ASN 114 CO 0.00 0.63 0.00 0.61 -1.65 0.00 0.00 177.43 177.02 1iku n GLY 115 N -0.63 0.81 3.14 2.83 0.00 -1.26 -5.06 105.19 105.02 1iku n GLY 115 Ca -0.01 -0.10 -0.11 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.00 0.08 0.40 2.61 -4.23 -1.26 -4.15 115.64 107.09 1iku s THR 116 Ca 0.00 -0.68 0.08 0.00 -1.18 0.00 0.00 61.69 59.91 1iku s THR 116 Cb 0.00 -0.53 -0.04 0.00 1.34 0.00 0.00 72.50 73.27 1iku s THR 116 CO 0.00 -0.37 0.27 -0.51 -0.54 0.00 0.00 174.62 173.46 1iku s ILE 117 N -1.52 2.66 0.30 2.99 2.07 -0.75 -4.90 121.20 122.04 1iku s ILE 117 Ca -0.13 -1.52 0.03 0.00 -1.41 0.00 0.00 60.65 57.61 1iku s ILE 117 Cb -0.06 -3.01 -0.05 0.00 0.13 0.00 0.00 42.46 39.46 1iku s ILE 117 CO 0.01 -0.04 0.09 -0.55 -1.91 0.00 0.00 174.94 172.54 1iku s SER 118 N -4.00 1.86 0.15 4.50 0.15 -1.26 -2.65 113.70 112.45 1iku s SER 118 Ca 0.44 -1.42 -0.22 0.00 0.70 0.00 0.00 55.95 55.44 1iku s SER 118 Cb -0.01 0.11 0.03 0.00 -1.71 0.00 0.00 66.02 64.44 1iku s SER 118 CO 0.25 -0.71 1.63 0.50 1.20 0.00 0.00 173.24 176.12 1iku h LYS 119 N 2.20 -0.22 -0.97 5.44 3.64 -1.88 -1.28 116.57 123.50 1iku h LYS 119 Ca -0.39 0.01 0.31 0.00 -1.27 0.00 0.00 60.65 59.32 1iku h LYS 119 Cb 1.25 0.05 -0.17 0.00 -0.41 0.00 0.00 32.23 32.95 1iku h LYS 119 CO 0.63 -0.14 0.31 -0.97 -2.27 0.00 0.00 179.45 177.01 1iku h ASN 120 N -0.22 0.01 -0.29 4.20 -1.24 -1.98 0.65 115.58 116.71 1iku h ASN 120 Ca 0.14 0.24 -0.03 0.00 0.71 0.00 0.00 56.30 57.36 1iku h ASN 120 Cb 0.44 0.32 -0.01 0.00 0.73 0.00 0.00 38.32 39.80 1iku h ASN 120 CO -0.38 -0.30 0.07 -0.33 -1.29 0.00 0.00 177.43 175.20 1iku h GLU 121 N 0.10 0.46 -0.67 6.67 3.07 -1.65 -2.30 114.58 120.26 1iku h GLU 121 Ca 0.68 -0.11 0.09 0.00 -0.50 0.00 0.00 59.36 59.52 1iku h GLU 121 Cb 1.56 -0.06 -0.07 0.00 -0.84 0.00 0.00 28.75 29.34 1iku h GLU 121 CO -0.77 0.54 0.32 0.28 -1.40 0.00 0.00 179.01 177.98 1iku h VAL 122 N 0.30 0.83 -0.54 3.13 2.07 0.51 -0.51 116.25 122.05 1iku h VAL 122 Ca 0.09 -0.19 0.07 0.00 0.82 0.00 0.00 66.70 67.49 1iku h VAL 122 Cb 0.28 0.24 -0.06 0.00 -1.52 0.00 0.00 31.29 30.23 1iku h VAL 122 CO 0.00 0.10 0.22 0.25 0.02 0.00 0.00 177.57 178.16 1iku h LEU 123 N 0.54 0.25 -0.43 2.57 5.85 -0.81 -1.82 115.31 121.47 1iku h LEU 123 Ca 0.33 0.06 0.09 0.00 0.84 0.00 0.00 57.88 59.19 1iku h LEU 123 Cb 0.36 0.02 -0.08 0.00 0.37 0.00 0.00 40.66 41.33 1iku h LEU 123 CO -0.27 0.17 -0.13 -0.08 -0.34 0.00 0.00 178.44 177.79 1iku h GLU 124 N 0.42 -0.03 -0.08 1.25 4.81 -0.54 0.24 114.58 120.66 1iku h GLU 124 Ca 0.26 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.51 1iku h GLU 124 Cb 0.26 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.62 1iku h GLU 124 CO -0.24 -0.02 -0.07 0.82 -0.73 0.00 0.00 179.01 178.77 1iku h ILE 125 N -0.03 0.78 -0.73 2.32 2.04 -0.99 -0.28 117.51 120.62 1iku h ILE 125 Ca 0.21 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.12 1iku h ILE 125 Cb 0.34 0.78 -0.04 0.00 -0.74 0.00 0.00 36.82 37.16 1iku h ILE 125 CO -0.45 0.00 0.48 0.58 0.00 0.00 0.00 178.15 178.76 1iku h VAL 126 N -0.09 1.06 -0.12 1.67 2.07 -0.53 -0.94 116.25 119.37 1iku h VAL 126 Ca 0.06 -0.28 -0.11 0.00 0.82 0.00 0.00 66.70 67.18 1iku h VAL 126 Cb 0.18 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 1iku h VAL 126 CO -0.14 0.15 -0.44 0.74 0.02 0.00 0.00 177.57 177.91 1iku h THR 127 N 0.82 1.32 0.52 2.57 2.02 0.34 -0.34 112.91 120.16 1iku h THR 127 Ca 0.31 -1.59 -0.03 0.00 0.77 0.00 0.00 66.41 65.87 1iku h THR 127 Cb 0.18 1.72 0.01 0.00 -1.74 0.00 0.00 68.15 68.31 1iku h THR 127 CO -0.10 0.48 -0.25 0.00 0.37 0.00 0.00 175.52 176.02 1iku h ALA 128 N 1.32 -0.70 -0.43 6.16 0.00 0.31 -2.01 119.26 123.92 1iku h ALA 128 Ca 0.02 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 1iku h ALA 128 Cb 0.87 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1iku h ALA 128 CO 0.07 -0.84 -0.09 0.82 0.00 0.00 0.00 179.25 179.21 1iku h ILE 129 N -0.81 1.27 -0.79 0.00 2.04 -1.45 -2.71 117.51 115.06 1iku h ILE 129 Ca -0.07 -1.18 0.14 0.00 1.00 0.00 0.00 64.86 64.75 1iku h ILE 129 Cb 0.58 1.16 -0.09 0.00 -0.74 0.00 0.00 36.82 37.73 1iku h ILE 129 CO 0.12 0.40 0.36 0.15 0.00 0.00 0.00 178.15 179.18 1iku h PHE 130 N 0.64 0.62 -0.31 1.37 3.04 -1.02 0.59 116.94 121.87 1iku h PHE 130 Ca 0.11 0.03 -0.04 0.00 3.98 0.00 0.00 57.97 62.06 1iku h PHE 130 Cb 0.62 -0.16 -0.02 0.00 2.56 0.00 0.00 35.95 38.95 1iku h PHE 130 CO 0.05 0.12 0.04 0.87 -2.02 0.00 0.00 178.31 177.36 1iku h LYS 131 N 0.52 0.46 -0.07 1.11 1.79 -1.17 -1.58 116.57 117.64 1iku h LYS 131 Ca 0.43 -0.08 -0.08 0.00 -2.18 0.00 0.00 60.65 58.74 1iku h LYS 131 Cb 0.63 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 31.19 1iku h LYS 131 CO -0.38 0.46 -0.33 1.98 -1.08 0.00 0.00 179.45 180.10 1iku h MET 132 N 0.45 0.14 -5.96 3.15 4.05 0.41 -3.42 114.93 113.74 1iku h MET 132 Ca 0.10 -0.05 -0.55 0.00 -0.28 0.00 0.00 59.70 58.93 1iku h MET 132 Cb 0.24 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.02 1iku h MET 132 CO 0.00 0.46 1.46 0.42 0.23 0.00 0.00 176.91 179.48 1iku s ILE 133 N -4.29 3.16 0.82 1.77 1.01 -0.16 -4.89 121.20 118.61 1iku s ILE 133 Ca -0.04 0.14 -0.15 0.00 0.00 0.00 0.00 60.65 60.61 1iku s ILE 133 Cb 0.14 -3.27 -0.00 0.00 0.01 0.00 0.00 42.46 39.34 1iku s ILE 133 CO 0.74 -0.20 0.51 -0.24 0.00 0.00 0.00 174.94 175.75 1iku n SER 134 N 12.53 -1.43 0.00 3.58 2.88 -1.26 -4.65 113.62 125.26 1iku n SER 134 Ca 0.29 0.49 0.00 0.00 -1.33 0.00 0.00 58.87 58.31 1iku n SER 134 Cb 0.49 -1.23 0.00 0.00 -0.75 0.00 0.00 64.21 62.72 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 -1.24 0.00 -0.06 -1.46 -0.01 -1.26 -2.26 135.00 128.71 1iku n PRO 135 Ca 0.09 0.28 -0.04 0.00 -0.01 0.00 0.00 63.50 63.82 1iku n PRO 135 Cb 0.51 -1.60 -0.01 0.00 -0.01 0.00 0.00 33.50 32.39 1iku n PRO 135 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 175.50 175.88 1iku n GLU 136 N -1.24 0.37 0.18 -0.52 1.02 -1.26 -4.02 120.64 115.16 1iku n GLU 136 Ca 0.00 0.47 0.10 0.00 -0.02 0.00 0.00 57.16 57.71 1iku n GLU 136 Cb 0.10 -1.51 0.55 0.00 -0.02 0.00 0.00 31.44 30.55 1iku n GLU 136 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1iku h ASP 137 N -0.82 0.00 1.00 1.62 5.19 -1.77 0.18 116.42 121.82 1iku h ASP 137 Ca 0.00 0.00 -0.13 0.00 -0.62 0.00 0.00 57.03 56.28 1iku h ASP 137 Cb 0.43 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.92 1iku h ASP 137 CO 0.00 0.00 -0.64 0.71 -3.12 0.00 0.00 179.24 176.19 1iku h THR 138 N 0.00 1.24 0.00 0.35 1.35 -1.62 -3.00 112.91 111.24 1iku h THR 138 Ca 0.00 -2.38 0.00 0.00 -0.55 0.00 0.00 66.41 63.48 1iku h THR 138 Cb 0.25 2.36 0.00 0.00 -1.73 0.00 0.00 68.15 69.03 1iku h THR 138 CO 0.00 0.63 0.00 1.17 -0.25 0.00 0.00 175.52 177.07 1iku n LYS 139 N -3.46 0.05 0.15 4.72 4.81 0.63 -1.64 118.16 123.41 1iku n LYS 139 Ca 0.00 0.38 0.08 0.00 -0.87 0.00 0.00 58.31 57.91 1iku n LYS 139 Cb 0.71 -1.61 0.07 0.00 0.02 0.00 0.00 35.03 34.22 1iku n LYS 139 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1iku h HIS 140 N 0.00 0.00 -2.63 5.64 3.86 -1.65 -3.45 115.15 116.93 1iku h HIS 140 Ca 0.00 0.00 -0.55 0.00 -1.16 0.00 0.00 60.37 58.66 1iku h HIS 140 Cb 0.18 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.64 1iku h HIS 140 CO 0.00 0.19 1.12 -0.51 0.86 0.00 0.00 177.93 179.58 1iku s LEU 141 N -6.02 4.16 0.00 2.43 1.43 -0.65 -4.99 118.68 115.03 1iku s LEU 141 Ca 0.03 2.04 0.00 0.00 -1.03 0.00 0.00 54.13 55.18 1iku s LEU 141 Cb 0.07 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.76 1iku s LEU 141 CO 0.73 -1.07 0.00 -2.65 0.23 0.00 0.00 176.35 173.60 1iku n PRO 142 N 7.35 1.84 0.00 1.29 -0.02 -1.26 -4.84 135.00 139.36 1iku n PRO 142 Ca 0.18 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.78 1iku n PRO 142 Cb 0.44 0.00 0.16 0.00 -0.02 0.00 0.00 33.50 34.07 1iku n PRO 142 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1iku n GLU 143 N 0.00 1.63 0.00 -0.52 -0.58 -1.26 -4.01 120.64 115.90 1iku n GLU 143 Ca 0.00 -1.26 0.13 0.00 -0.42 0.00 0.00 57.16 55.61 1iku n GLU 143 Cb 0.00 -1.47 0.38 0.00 -0.57 0.00 0.00 31.44 29.78 1iku n GLU 143 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1iku n ASP 144 N 0.42 0.97 -2.83 1.62 8.00 -1.26 -4.45 116.55 119.02 1iku n ASP 144 Ca 0.13 -0.84 -0.11 0.00 0.71 0.00 0.00 54.79 54.68 1iku n ASP 144 Cb 0.48 0.13 0.05 0.00 -0.02 0.00 0.00 41.12 41.76 1iku n ASP 144 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 1iku n GLU 145 N -0.71 0.90 -0.37 -1.24 0.28 -1.26 -4.77 120.64 113.48 1iku n GLU 145 Ca 0.12 -2.12 0.09 0.00 -0.16 0.00 0.00 57.16 55.09 1iku n GLU 145 Cb 0.34 -1.28 0.28 0.00 1.43 0.00 0.00 31.44 32.22 1iku n GLU 145 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 1iku n ASN 146 N 0.90 3.85 -3.70 -1.84 2.85 -1.26 -4.68 115.26 111.38 1iku n ASN 146 Ca 0.10 -2.14 -0.14 0.00 -0.11 0.00 0.00 54.58 52.30 1iku n ASN 146 Cb 0.66 -0.44 -0.09 0.00 1.24 0.00 0.00 39.78 41.15 1iku n ASN 146 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 1iku s THR 147 N -1.26 0.01 0.07 -0.44 -4.23 -1.26 -4.99 115.64 103.54 1iku s THR 147 Ca 0.42 -0.09 0.24 0.00 -1.18 0.00 0.00 61.69 61.08 1iku s THR 147 Cb 0.24 -0.70 0.24 0.00 1.34 0.00 0.00 72.50 73.62 1iku s THR 147 CO 0.26 -0.05 1.71 1.55 -0.54 0.00 0.00 174.62 177.55 1iku h PRO 148 N 4.82 0.00 0.17 3.99 0.13 -1.92 0.01 132.00 139.20 1iku h PRO 148 Ca -0.28 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.52 1iku h PRO 148 Cb 1.17 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.31 1iku h PRO 148 CO 0.26 0.00 -1.61 0.93 -0.23 0.00 0.00 178.00 177.36 1iku h GLU 149 N 0.00 0.35 -0.01 0.86 5.08 -1.95 -2.69 114.58 116.22 1iku h GLU 149 Ca 0.00 -0.61 -0.17 0.00 -1.00 0.00 0.00 59.36 57.58 1iku h GLU 149 Cb 0.21 0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 1iku h GLU 149 CO 0.00 1.25 -0.79 0.87 -1.00 0.00 0.00 179.01 179.34 1iku h LYS 150 N 0.10 0.13 -0.08 2.33 1.79 -1.42 -2.36 116.57 117.06 1iku h LYS 150 Ca -0.28 -0.12 -0.06 0.00 -2.18 0.00 0.00 60.65 58.01 1iku h LYS 150 Cb 2.07 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 32.76 1iku h LYS 150 CO 0.19 0.85 -0.16 -0.09 -1.08 0.00 0.00 179.45 179.15 1iku h ARG 151 N 0.08 0.26 -0.02 3.15 9.65 -1.40 -2.87 114.38 123.22 1iku h ARG 151 Ca -0.02 -0.17 -0.07 0.00 -1.10 0.00 0.00 59.98 58.62 1iku h ARG 151 Cb 1.38 0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.97 1iku h ARG 151 CO 0.11 0.76 -0.30 0.00 2.80 0.00 0.00 179.97 183.34 1iku h ALA 152 N 0.50 1.47 0.38 2.80 0.00 -1.52 -2.88 119.26 120.02 1iku h ALA 152 Ca 0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 1iku h ALA 152 Cb 0.75 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1iku h ALA 152 CO 0.04 0.40 -0.18 1.49 0.00 0.00 0.00 179.25 180.99 1iku h GLU 153 N 0.03 -0.49 -0.46 0.00 4.81 -1.36 0.12 114.58 117.23 1iku h GLU 153 Ca 0.00 0.03 0.09 0.00 -0.13 0.00 0.00 59.36 59.36 1iku h GLU 153 Cb 0.55 0.11 -0.09 0.00 0.63 0.00 0.00 28.75 29.95 1iku h GLU 153 CO 0.04 -0.28 -0.11 0.87 -0.73 0.00 0.00 179.01 178.80 1iku h LYS 154 N -0.58 0.01 -0.41 1.92 1.57 -1.35 0.99 116.57 118.73 1iku h LYS 154 Ca -0.05 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1iku h LYS 154 Cb 0.43 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 1iku h LYS 154 CO 0.09 0.00 0.26 0.82 -0.57 0.00 0.00 179.45 180.05 1iku h ILE 155 N 0.01 1.11 0.00 1.86 2.04 -1.31 -1.33 117.51 119.88 1iku h ILE 155 Ca 0.22 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1iku h ILE 155 Cb 0.34 0.53 0.00 0.00 -0.74 0.00 0.00 36.82 36.95 1iku h ILE 155 CO -0.47 0.11 0.00 1.87 0.00 0.00 0.00 178.15 179.66 1iku n TRP 156 N -4.79 0.80 0.12 1.37 -0.00 0.40 -1.64 117.44 113.70 1iku n TRP 156 Ca 0.01 0.29 -0.19 0.00 -0.00 0.00 0.00 57.50 57.60 1iku n TRP 156 Cb 0.03 -0.96 -0.14 0.00 -0.00 0.00 0.00 31.31 30.24 1iku n TRP 156 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 177.69 178.47 1iku h GLY 157 N 3.04 0.47 0.95 5.87 0.00 0.21 -3.34 103.07 110.28 1iku h GLY 157 Ca 0.00 -1.14 -0.12 0.00 0.00 0.00 0.00 47.33 46.08 1iku h GLY 157 CO 0.00 1.00 -1.32 0.69 0.00 0.00 0.00 176.54 176.91 1iku n PHE 158 N -3.64 0.95 0.00 5.60 3.72 -0.91 -4.44 117.46 118.74 1iku n PHE 158 Ca -0.12 0.30 0.00 0.00 -0.05 0.00 0.00 57.45 57.59 1iku n PHE 158 Cb 1.03 -1.04 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 1iku n PHE 158 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1iku n PHE 159 N -2.81 0.00 0.00 1.38 3.72 -0.65 -4.86 117.46 114.24 1iku n PHE 159 Ca -0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 1iku n PHE 159 Cb 0.75 -0.34 0.00 0.00 -0.94 0.00 0.00 39.48 38.95 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 -0.86 0.39 0.00 1.37 0.00 -1.25 -5.03 105.19 99.81 1iku n GLY 160 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1iku n GLY 160 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1iku n LYS 161 N 0.00 0.00 -0.07 1.61 3.00 -1.26 -5.00 118.16 116.44 1iku n LYS 161 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 58.31 58.23 1iku n LYS 161 Cb 0.00 0.00 0.07 0.00 0.00 0.00 0.00 35.03 35.10 1iku n LYS 161 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 1iku n LYS 162 N 0.00 -2.43 0.10 1.64 2.85 -1.26 -4.62 118.16 114.44 1iku n LYS 162 Ca 0.00 -0.37 -0.06 0.00 -1.05 0.00 0.00 58.31 56.84 1iku n LYS 162 Cb 0.00 -0.50 0.06 0.00 -0.65 0.00 0.00 35.03 33.94 1iku n LYS 162 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 1iku h ASP 163 N -2.36 0.16 0.00 -5.58 3.32 -2.01 -3.10 116.42 106.84 1iku h ASP 163 Ca -0.10 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.84 1iku h ASP 163 Cb 0.33 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.84 1iku h ASP 163 CO 0.06 0.85 0.00 0.47 -1.72 0.00 0.00 179.24 178.90 1iku n ASP 164 N -3.71 0.10 -4.97 6.45 9.92 -1.26 -4.70 116.55 118.38 1iku n ASP 164 Ca -0.02 -0.47 -0.21 0.00 -0.53 0.00 0.00 54.79 53.55 1iku n ASP 164 Cb 0.73 -0.05 -0.01 0.00 -0.64 0.00 0.00 41.12 41.15 1iku n ASP 164 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1iku s ASP 165 N -1.36 6.11 0.13 -2.24 2.15 -1.17 -5.11 116.67 115.18 1iku s ASP 165 Ca 0.00 0.13 0.01 0.00 0.43 0.00 0.00 52.55 53.12 1iku s ASP 165 Cb 0.00 -1.65 -0.04 0.00 -0.30 0.00 0.00 42.92 40.93 1iku s ASP 165 CO 0.00 -0.36 -0.02 -0.75 -0.17 0.00 0.00 175.17 173.87 1iku s LYS 166 N -4.24 0.95 0.01 4.34 2.47 -1.26 -4.74 119.74 117.27 1iku s LYS 166 Ca 0.42 -1.43 0.07 0.00 -1.56 0.00 0.00 55.97 53.47 1iku s LYS 166 Cb -0.09 -0.13 -0.02 0.00 -1.46 0.00 0.00 37.83 36.12 1iku s LYS 166 CO 0.33 -0.11 -0.21 -0.51 0.16 0.00 0.00 175.35 175.01 1iku s LEU 167 N -3.09 2.09 0.41 5.43 1.43 -1.08 -4.94 118.68 118.93 1iku s LEU 167 Ca 0.18 -0.44 0.08 0.00 -1.03 0.00 0.00 54.13 52.92 1iku s LEU 167 Cb 0.06 -1.05 -0.02 0.00 0.03 0.00 0.00 46.19 45.22 1iku s LEU 167 CO -0.01 0.22 0.41 0.42 0.23 0.00 0.00 176.35 177.63 1iku s THR 168 N -0.62 2.75 0.00 5.49 -4.23 -1.26 -1.81 115.64 115.95 1iku s THR 168 Ca 0.08 -1.28 0.00 0.00 -1.18 0.00 0.00 61.69 59.31 1iku s THR 168 Cb -0.08 -3.01 0.00 0.00 1.34 0.00 0.00 72.50 70.75 1iku s THR 168 CO 0.00 -0.00 0.68 -0.62 -0.54 0.00 0.00 174.62 174.13 1iku n GLU 169 N -1.60 0.00 -0.33 3.99 1.02 -1.26 -0.50 120.64 121.96 1iku n GLU 169 Ca 0.04 0.56 0.08 0.00 -0.02 0.00 0.00 57.16 57.83 1iku n GLU 169 Cb 0.61 -1.18 0.25 0.00 -0.02 0.00 0.00 31.44 31.11 1iku n GLU 169 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1iku h LYS 170 N 0.00 0.74 0.40 3.49 3.64 -1.96 -2.58 116.57 120.30 1iku h LYS 170 Ca 0.00 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 1iku h LYS 170 Cb 0.00 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 31.62 1iku h LYS 170 CO 0.00 0.49 -0.51 1.49 -2.27 0.00 0.00 179.45 178.65 1iku h GLU 171 N 0.76 -0.91 -0.85 1.90 4.57 -1.80 0.94 114.58 119.19 1iku h GLU 171 Ca 0.50 0.06 0.21 0.00 -1.18 0.00 0.00 59.36 58.95 1iku h GLU 171 Cb 0.66 0.21 -0.13 0.00 -0.16 0.00 0.00 28.75 29.33 1iku h GLU 171 CO -0.34 -0.61 0.28 0.35 -1.18 0.00 0.00 179.01 177.51 1iku h PHE 172 N -0.94 0.44 0.27 0.92 3.57 -0.41 0.23 116.94 121.02 1iku h PHE 172 Ca -0.05 0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 1iku h PHE 172 Cb 0.85 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.53 1iku h PHE 172 CO -0.31 -0.13 -0.13 0.82 -2.23 0.00 0.00 178.31 176.33 1iku h ILE 173 N 0.29 0.77 -0.66 1.41 1.08 -1.08 -2.88 117.51 116.43 1iku h ILE 173 Ca 0.52 -0.37 0.01 0.00 -0.39 0.00 0.00 64.86 64.64 1iku h ILE 173 Cb 1.00 0.98 -0.03 0.00 -3.07 0.00 0.00 36.82 35.70 1iku h ILE 173 CO -0.58 0.08 0.44 -0.08 -0.69 0.00 0.00 178.15 177.32 1iku h GLU 174 N -0.56 0.84 -0.88 2.37 4.81 0.44 -1.44 114.58 120.16 1iku h GLU 174 Ca -0.04 -0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.17 1iku h GLU 174 Cb 0.41 -0.19 -0.05 0.00 0.63 0.00 0.00 28.75 29.55 1iku h GLU 174 CO 0.06 0.56 0.58 0.78 -0.73 0.00 0.00 179.01 180.26 1iku h GLY 175 N 0.87 1.25 0.00 1.92 0.00 -0.46 -0.93 103.07 105.71 1iku h GLY 175 Ca 0.25 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 47.14 1iku h GLY 175 CO -0.06 0.39 -0.02 -0.91 0.00 0.00 0.00 176.54 175.95 1iku h THR 176 N 1.11 0.00 0.00 4.70 1.35 -1.17 -3.12 112.91 115.78 1iku h THR 176 Ca 0.34 -0.50 0.00 0.00 -0.55 0.00 0.00 66.41 65.70 1iku h THR 176 Cb -0.01 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.41 1iku h THR 176 CO -0.10 0.00 0.35 0.25 -0.25 0.00 0.00 175.52 175.78 1iku h LEU 177 N -0.50 0.00 0.16 3.87 5.85 -1.36 -1.27 115.31 122.06 1iku h LEU 177 Ca 0.00 0.00 -0.35 0.00 0.84 0.00 0.00 57.88 58.37 1iku h LEU 177 Cb 0.02 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.04 1iku h LEU 177 CO 0.00 0.00 -1.79 0.00 -0.34 0.00 0.00 178.44 176.31 1iku h ALA 178 N 1.23 0.25 -3.35 1.25 0.00 -1.28 -3.47 119.26 113.88 1iku h ALA 178 Ca 0.00 -1.22 -0.66 0.00 0.00 0.00 0.00 54.91 53.03 1iku h ALA 178 Cb 0.71 0.55 -0.13 0.00 0.00 0.00 0.00 17.79 18.92 1iku h ALA 178 CO 0.00 1.09 -0.65 -0.80 0.00 0.00 0.00 179.25 178.89 1iku s ASN 179 N -7.19 5.09 0.06 0.00 -0.87 -0.48 -5.02 114.94 106.54 1iku s ASN 179 Ca -0.19 -0.10 0.17 0.00 -1.57 0.00 0.00 52.86 51.17 1iku s ASN 179 Cb 0.06 -1.27 -0.13 0.00 -0.02 0.00 0.00 41.25 39.88 1iku s ASN 179 CO 0.81 0.22 0.83 0.07 -2.57 0.00 0.00 177.10 176.47 1iku h LYS 180 N 3.82 0.00 0.11 -0.60 5.09 -1.91 -3.27 116.57 119.81 1iku h LYS 180 Ca -0.48 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.25 1iku h LYS 180 Cb 1.17 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.50 1iku h LYS 180 CO 0.59 0.30 -0.05 1.05 -2.09 0.00 0.00 179.45 179.25 1iku h GLU 181 N 0.00 -0.14 -0.61 0.07 4.11 -1.95 0.16 114.58 116.22 1iku h GLU 181 Ca -0.16 0.01 0.02 0.00 0.07 0.00 0.00 59.36 59.30 1iku h GLU 181 Cb 1.59 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.84 1iku h GLU 181 CO 0.05 0.09 0.38 0.82 0.07 0.00 0.00 179.01 180.42 1iku h ILE 182 N -0.35 1.10 -0.82 -1.06 2.04 -1.89 -0.24 117.51 116.28 1iku h ILE 182 Ca -0.01 -0.26 0.01 0.00 1.00 0.00 0.00 64.86 65.59 1iku h ILE 182 Cb 0.29 0.27 -0.04 0.00 -0.74 0.00 0.00 36.82 36.60 1iku h ILE 182 CO 0.02 0.14 0.53 0.25 0.00 0.00 0.00 178.15 179.10 1iku h LEU 183 N 0.76 0.95 -0.90 1.44 5.85 -1.56 0.50 115.31 122.34 1iku h LEU 183 Ca 0.24 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.93 1iku h LEU 183 Cb -0.01 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 40.78 1iku h LEU 183 CO -0.09 0.70 0.00 -0.09 -0.34 0.00 0.00 178.44 178.62 1iku h ARG 184 N 1.12 0.00 0.00 1.25 9.65 0.44 0.44 114.38 127.28 1iku h ARG 184 Ca 0.30 0.00 -0.12 0.00 -1.10 0.00 0.00 59.98 59.06 1iku h ARG 184 Cb -0.11 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.44 1iku h ARG 184 CO -0.06 0.00 -1.87 1.28 2.80 0.00 0.00 179.97 182.12 1iku n LEU 185 N -2.96 0.26 -0.10 3.80 4.77 -0.21 -4.56 117.00 118.00 1iku n LEU 185 Ca 0.02 0.11 -0.16 0.00 -0.03 0.00 0.00 56.01 55.95 1iku n LEU 185 Cb 0.37 0.13 -0.07 0.00 -2.33 0.00 0.00 43.42 41.51 1iku n LEU 185 CO 0.28 0.13 -0.64 0.00 -1.33 0.00 0.00 177.39 175.83 1iku n ILE 186 N -2.54 1.49 -1.48 -0.08 0.00 0.16 -4.50 119.36 112.41 1iku n ILE 186 Ca -0.12 0.01 -0.40 0.00 0.00 0.00 0.00 62.75 62.25 1iku n ILE 186 Cb 0.76 -2.17 -0.02 0.00 0.00 0.00 0.00 39.64 38.22 1iku n ILE 186 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 176.55 178.22 1iku n GLN 187 N -4.46 2.80 -1.39 9.51 7.27 0.13 -4.90 117.38 126.34 1iku n GLN 187 Ca -0.26 -2.31 -0.53 0.00 0.07 0.00 0.00 57.00 53.97 1iku n GLN 187 Cb 0.56 -3.06 -0.09 0.00 2.41 0.00 0.00 30.24 30.06 1iku n GLN 187 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1iku n PHE 188 N 5.57 1.42 1.55 3.69 7.35 -1.26 -4.84 117.46 130.94 1iku n PHE 188 Ca 0.57 0.42 0.12 0.00 -0.76 0.00 0.00 57.45 57.81 1iku n PHE 188 Cb 0.34 -2.46 0.74 0.00 0.35 0.00 0.00 39.48 38.45 1iku n PHE 188 CO 0.00 0.00 0.00 -1.91 -0.76 0.00 0.00 176.76 174.09