#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 -0.43 0.51 1.61 4.22 -1.26 -5.00 114.94 114.60 1iku s ASN 3 Ca 0.00 0.77 0.31 0.00 -2.14 0.00 0.00 52.86 51.80 1iku s ASN 3 Cb 0.00 0.69 1.43 0.00 1.28 0.00 0.00 41.25 44.66 1iku s ASN 3 CO 0.00 -0.17 1.82 0.28 -2.04 0.00 0.00 177.10 177.00 1iku h SER 4 N 6.65 0.10 -0.36 3.54 0.02 -1.97 -0.02 113.55 121.52 1iku h SER 4 Ca -0.34 0.02 0.07 0.00 -0.84 0.00 0.00 61.79 60.70 1iku h SER 4 Cb 1.18 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.65 1iku h SER 4 CO 0.30 0.02 -0.10 0.50 -1.14 0.00 0.00 176.83 176.41 1iku h LYS 5 N 0.09 -0.02 0.00 3.45 3.11 -1.98 0.46 116.57 121.69 1iku h LYS 5 Ca 0.53 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.37 1iku h LYS 5 Cb 1.93 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 33.17 1iku h LYS 5 CO -0.07 -0.01 0.00 1.03 -2.81 0.00 0.00 179.45 177.59 1iku h SER 6 N -0.02 0.00 0.90 4.20 0.87 -1.34 0.27 113.55 118.44 1iku h SER 6 Ca 0.17 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.58 1iku h SER 6 Cb 0.28 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.22 1iku h SER 6 CO -0.38 0.00 -0.71 1.23 -0.53 0.00 0.00 176.83 176.44 1iku h GLY 7 N 0.18 0.00 0.04 5.77 0.00 -0.08 -2.95 103.07 106.03 1iku h GLY 7 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1iku h GLY 7 CO 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 176.54 176.53 1iku h ALA 8 N 1.29 -0.01 -0.98 3.60 0.00 -0.78 -2.93 119.26 119.45 1iku h ALA 8 Ca -0.01 -0.36 0.23 0.00 0.00 0.00 0.00 54.91 54.77 1iku h ALA 8 Cb 1.35 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 19.07 1iku h ALA 8 CO 0.09 -0.03 0.64 -0.07 0.00 0.00 0.00 179.25 179.88 1iku h LEU 9 N -0.97 0.43 -0.28 0.00 3.38 -1.60 0.10 115.31 116.37 1iku h LEU 9 Ca -0.00 0.06 -0.12 0.00 0.09 0.00 0.00 57.88 57.91 1iku h LEU 9 Cb 0.73 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.46 1iku h LEU 9 CO 0.00 0.13 -0.28 0.77 0.09 0.00 0.00 178.44 179.16 1iku h SER 10 N 0.40 0.73 0.42 -0.43 4.64 -1.58 -2.72 113.55 115.01 1iku h SER 10 Ca 0.53 -0.47 -0.01 0.00 -0.47 0.00 0.00 61.79 61.37 1iku h SER 10 Cb 1.34 -0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 63.20 1iku h SER 10 CO -0.23 1.05 -0.51 0.50 -0.87 0.00 0.00 176.83 176.77 1iku h LYS 11 N 0.42 -0.91 -0.47 4.77 3.64 -0.61 0.43 116.57 123.84 1iku h LYS 11 Ca 0.04 0.06 0.09 0.00 -1.27 0.00 0.00 60.65 59.58 1iku h LYS 11 Cb 0.85 0.21 -0.09 0.00 -0.41 0.00 0.00 32.23 32.78 1iku h LYS 11 CO 0.07 -0.61 -0.12 0.93 -2.27 0.00 0.00 179.45 177.45 1iku h GLU 12 N -0.95 -0.00 0.26 1.90 5.08 -1.52 0.30 114.58 119.65 1iku h GLU 12 Ca -0.05 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1iku h GLU 12 Cb 0.84 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.10 1iku h GLU 12 CO -0.11 -0.00 -0.13 0.82 -1.00 0.00 0.00 179.01 178.60 1iku h ILE 13 N -0.00 0.00 -1.13 3.13 2.04 -1.15 -1.32 117.51 119.08 1iku h ILE 13 Ca 0.22 -0.03 0.33 0.00 1.00 0.00 0.00 64.86 66.38 1iku h ILE 13 Cb 0.34 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.38 1iku h ILE 13 CO -0.48 0.00 0.94 -0.07 0.00 0.00 0.00 178.15 178.54 1iku h LEU 14 N -0.38 0.00 -0.07 1.44 3.38 -0.00 0.38 115.31 120.06 1iku h LEU 14 Ca -0.04 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 1iku h LEU 14 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1iku h LEU 14 CO 0.06 0.00 -0.28 -0.33 0.09 0.00 0.00 178.44 177.98 1iku h GLU 15 N 0.00 0.32 0.00 1.13 5.08 -0.05 -3.02 114.58 118.04 1iku h GLU 15 Ca 0.54 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 1iku h GLU 15 Cb 2.42 0.05 0.00 0.00 0.50 0.00 0.00 28.75 31.72 1iku h GLU 15 CO -0.01 0.88 0.00 0.93 -1.00 0.00 0.00 179.01 179.82 1iku h GLU 16 N -0.17 0.00 -2.03 2.33 5.08 0.91 -3.08 114.58 117.62 1iku h GLU 16 Ca -0.01 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.28 1iku h GLU 16 Cb 0.92 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.15 1iku h GLU 16 CO 0.06 0.00 -0.12 -0.11 -1.00 0.00 0.00 179.01 177.84 1iku n LEU 17 N -2.59 4.87 0.00 1.33 7.94 -0.84 -4.68 117.00 123.02 1iku n LEU 17 Ca -0.01 -2.50 0.00 0.00 -1.11 0.00 0.00 56.01 52.40 1iku n LEU 17 Cb 0.13 -1.14 0.00 0.00 0.53 0.00 0.00 43.42 42.94 1iku n LEU 17 CO 0.17 1.15 0.00 0.00 -1.11 0.00 0.00 177.39 177.60 1iku n GLN 18 N 1.92 0.00 0.00 1.96 1.13 -1.16 -4.87 117.38 116.36 1iku n GLN 18 Ca 0.15 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.21 1iku n GLN 18 Cb 0.61 -3.23 0.00 0.00 0.11 0.00 0.00 30.24 27.72 1iku n GLN 18 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1iku n LEU 19 N 0.00 0.00 -3.52 1.08 4.77 -1.23 -4.94 117.00 113.16 1iku n LEU 19 Ca 0.00 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1iku n LEU 19 Cb 0.00 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.04 1iku n LEU 19 CO 0.00 -0.31 0.59 0.20 -1.33 0.00 0.00 177.39 176.54 1iku s ASN 20 N -1.08 -0.63 -0.06 -1.43 0.02 -1.26 -4.79 114.94 105.72 1iku s ASN 20 Ca 0.00 0.91 -0.03 0.00 -1.02 0.00 0.00 52.86 52.72 1iku s ASN 20 Cb 0.00 1.55 0.04 0.00 0.02 0.00 0.00 41.25 42.86 1iku s ASN 20 CO 0.00 -0.13 0.11 0.28 0.02 0.00 0.00 177.10 177.38 1iku s THR 21 N 2.07 -0.18 -0.37 1.60 -1.32 -1.26 -4.55 115.64 111.63 1iku s THR 21 Ca -0.05 0.39 0.05 0.00 -1.21 0.00 0.00 61.69 60.86 1iku s THR 21 Cb -0.06 -0.22 0.56 0.00 -1.51 0.00 0.00 72.50 71.28 1iku s THR 21 CO -0.17 0.16 1.71 1.17 -2.21 0.00 0.00 174.62 175.28 1iku n LYS 22 N 5.28 2.36 -3.31 7.08 4.81 -1.26 -4.87 118.16 128.24 1iku n LYS 22 Ca -0.04 -2.46 -0.42 0.00 -0.87 0.00 0.00 58.31 54.51 1iku n LYS 22 Cb 0.50 -1.98 -0.09 0.00 0.02 0.00 0.00 35.03 33.48 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 -2.63 3.17 0.66 5.64 0.08 -1.26 -5.03 117.98 118.61 1iku s PHE 23 Ca 0.46 -0.24 -0.17 0.00 0.12 0.00 0.00 56.93 57.09 1iku s PHE 23 Cb 0.38 -2.89 -0.15 0.00 -0.57 0.00 0.00 43.02 39.80 1iku s PHE 23 CO 0.10 -0.65 -0.35 2.41 -0.10 0.00 0.00 175.22 176.62 1iku n THR 24 N 5.43 0.00 -0.16 0.64 -1.04 -1.26 -4.76 114.28 113.12 1iku n THR 24 Ca -0.07 -0.49 -0.07 0.00 -2.04 0.00 0.00 64.05 61.38 1iku n THR 24 Cb 0.48 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 69.00 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 -0.34 0.66 -0.32 -2.82 -0.00 -1.96 -1.28 114.58 108.52 1iku h GLU 25 Ca -0.41 -0.06 0.09 0.00 -0.00 0.00 0.00 59.36 58.98 1iku h GLU 25 Cb 1.37 -0.14 -0.01 0.00 -0.00 0.00 0.00 28.75 29.97 1iku h GLU 25 CO 0.35 0.47 0.59 0.93 -0.00 0.00 0.00 179.01 181.35 1iku h GLU 26 N 0.65 0.00 0.60 1.06 5.08 -1.88 -1.25 114.58 118.84 1iku h GLU 26 Ca 0.18 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.51 1iku h GLU 26 Cb -0.02 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.23 1iku h GLU 26 CO -0.03 0.00 -0.29 1.49 -1.00 0.00 0.00 179.01 179.18 1iku h GLU 27 N 0.00 -0.78 -0.67 2.33 4.57 -1.53 -2.72 114.58 115.79 1iku h GLU 27 Ca 0.15 0.05 0.19 0.00 -1.18 0.00 0.00 59.36 58.58 1iku h GLU 27 Cb 1.33 0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 30.07 1iku h GLU 27 CO -0.00 -0.52 0.54 -0.07 -1.18 0.00 0.00 179.01 177.78 1iku h LEU 28 N -1.15 0.00 0.06 1.64 3.38 -1.32 0.85 115.31 118.77 1iku h LEU 28 Ca -0.08 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 1iku h LEU 28 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1iku h LEU 28 CO 0.14 0.00 -0.03 -1.28 0.09 0.00 0.00 178.44 177.36 1iku h SER 29 N 0.00 -0.07 -0.31 -0.43 0.87 -1.31 0.49 113.55 112.79 1iku h SER 29 Ca 0.32 -0.20 -0.18 0.00 -1.23 0.00 0.00 61.79 60.50 1iku h SER 29 Cb 1.39 0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 63.37 1iku h SER 29 CO -0.00 0.17 -0.49 0.77 -0.53 0.00 0.00 176.83 176.75 1iku h SER 30 N -0.30 0.98 0.30 6.23 4.64 -0.76 -2.69 113.55 121.95 1iku h SER 30 Ca -0.01 -0.49 -0.01 0.00 -0.47 0.00 0.00 61.79 60.80 1iku h SER 30 Cb 0.26 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 1iku h SER 30 CO 0.01 1.29 -0.14 -0.25 -0.87 0.00 0.00 176.83 176.87 1iku h TRP 31 N 0.70 -0.37 -0.98 4.77 7.01 -0.88 -0.34 115.95 125.87 1iku h TRP 31 Ca 0.03 -0.01 0.20 0.00 2.11 0.00 0.00 58.89 61.22 1iku h TRP 31 Cb 1.09 0.12 -0.09 0.00 -2.10 0.00 0.00 29.16 28.18 1iku h TRP 31 CO 0.07 -0.02 0.62 -0.92 -2.79 0.00 0.00 178.44 175.39 1iku h TYR 32 N -0.84 0.86 0.07 2.65 3.20 -0.10 1.75 116.97 124.56 1iku h TYR 32 Ca -0.04 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.75 1iku h TYR 32 Cb 0.52 -0.26 0.01 0.00 1.54 0.00 0.00 36.73 38.54 1iku h TYR 32 CO 0.04 0.20 -0.46 0.37 -1.64 0.00 0.00 178.16 176.67 1iku h GLN 33 N 0.62 0.19 0.00 1.82 4.15 -1.46 -2.77 115.11 117.65 1iku h GLN 33 Ca 0.54 -0.29 0.00 0.00 0.77 0.00 0.00 58.65 59.67 1iku h GLN 33 Cb 1.03 0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.83 1iku h GLN 33 CO -0.30 1.11 0.00 0.43 -1.93 0.00 0.00 178.83 178.14 1iku n SER 34 N -4.34 0.25 -0.01 -0.69 7.64 -0.14 -1.52 113.62 114.81 1iku n SER 34 Ca -0.12 0.55 -0.20 0.00 1.01 0.00 0.00 58.87 60.11 1iku n SER 34 Cb 0.66 -0.60 -0.14 0.00 -1.01 0.00 0.00 64.21 63.12 1iku n SER 34 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 1iku h PHE 35 N 0.00 0.33 0.00 1.43 3.57 0.26 -2.66 116.94 119.87 1iku h PHE 35 Ca 0.00 -0.24 -0.03 0.00 3.53 0.00 0.00 57.97 61.23 1iku h PHE 35 Cb 0.38 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.11 1iku h PHE 35 CO 0.00 1.38 -0.14 -0.07 -2.23 0.00 0.00 178.31 177.25 1iku h LEU 36 N -0.54 0.00 0.17 0.59 3.38 -1.43 -2.77 115.31 114.71 1iku h LEU 36 Ca -0.21 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.46 1iku h LEU 36 Cb 1.53 0.00 0.03 0.00 0.09 0.00 0.00 40.66 42.31 1iku h LEU 36 CO 0.03 0.14 -1.25 0.11 0.09 0.00 0.00 178.44 177.57 1iku h LYS 37 N 0.00 0.54 -0.41 1.13 1.57 -1.38 -3.31 116.57 114.71 1iku h LYS 37 Ca -0.00 -0.81 -0.06 0.00 -1.87 0.00 0.00 60.65 57.90 1iku h LYS 37 Cb 1.01 0.29 -0.02 0.00 0.08 0.00 0.00 32.23 33.59 1iku h LYS 37 CO 0.02 1.38 0.01 0.93 -0.57 0.00 0.00 179.45 181.22 1iku h GLU 38 N 0.12 0.72 -7.22 3.15 4.39 -1.48 -3.44 114.58 110.82 1iku h GLU 38 Ca -0.20 -0.22 -0.48 0.00 0.34 0.00 0.00 59.36 58.79 1iku h GLU 38 Cb 1.95 -0.07 0.20 0.00 -0.10 0.00 0.00 28.75 30.73 1iku h GLU 38 CO 0.24 0.79 0.14 0.00 -1.16 0.00 0.00 179.01 179.02 1iku h PRO 40 N -2.15 0.40 0.00 0.00 0.10 -1.85 -3.44 132.00 125.06 1iku h PRO 40 Ca -0.52 -0.02 0.00 0.00 0.10 0.00 0.00 66.00 65.56 1iku h PRO 40 Cb 1.30 -0.09 0.00 0.00 0.10 0.00 0.00 31.00 32.31 1iku h PRO 40 CO 0.47 0.27 0.00 0.45 0.10 0.00 0.00 178.00 179.28 1iku n SER 41 N -4.94 -1.27 0.00 -2.05 2.88 -1.26 -5.03 113.62 101.95 1iku n SER 41 Ca 0.04 0.35 0.00 0.00 -1.33 0.00 0.00 58.87 57.93 1iku n SER 41 Cb 0.14 1.38 0.00 0.00 -0.75 0.00 0.00 64.21 64.98 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 -0.33 0.00 3.86 0.46 0.00 -1.26 -4.88 105.19 103.05 1iku n GLY 42 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 0.00 3.87 0.07 1.61 3.00 -1.26 -2.38 118.95 123.86 1iku s ARG 43 Ca 0.00 0.38 -0.07 0.00 0.00 0.00 0.00 55.73 56.04 1iku s ARG 43 Cb 0.00 -2.65 -0.01 0.00 0.00 0.00 0.00 34.95 32.29 1iku s ARG 43 CO 0.00 0.31 0.14 0.96 0.00 0.00 0.00 175.30 176.71 1iku s ILE 44 N -1.79 0.15 0.43 1.52 -4.36 -0.58 -4.89 121.20 111.68 1iku s ILE 44 Ca 0.47 -1.23 0.08 0.00 -0.26 0.00 0.00 60.65 59.71 1iku s ILE 44 Cb -0.12 -1.25 0.00 0.00 1.25 0.00 0.00 42.46 42.35 1iku s ILE 44 CO 0.20 -0.68 0.49 0.42 0.24 0.00 0.00 174.94 175.61 1iku s THR 45 N -3.51 2.71 0.19 8.37 -4.23 -1.26 -1.38 115.64 116.53 1iku s THR 45 Ca 0.02 -1.19 -0.12 0.00 -1.18 0.00 0.00 61.69 59.23 1iku s THR 45 Cb 0.04 -2.90 0.10 0.00 1.34 0.00 0.00 72.50 71.08 1iku s THR 45 CO -0.09 0.00 1.83 0.08 -0.54 0.00 0.00 174.62 175.91 1iku h ARG 46 N 0.80 0.72 -0.01 3.99 0.11 -1.99 0.86 114.38 118.86 1iku h ARG 46 Ca -0.40 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 59.64 1iku h ARG 46 Cb 1.27 -0.16 -0.00 0.00 1.11 0.00 0.00 29.97 32.19 1iku h ARG 46 CO 0.51 0.48 0.01 0.37 0.10 0.00 0.00 179.97 181.44 1iku h GLN 47 N 0.75 0.00 0.02 0.08 -0.00 -1.96 -0.48 115.11 113.52 1iku h GLN 47 Ca 0.24 0.00 -0.26 0.00 -0.00 0.00 0.00 58.65 58.62 1iku h GLN 47 Cb -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 27.48 27.44 1iku h GLN 47 CO -0.09 0.00 -1.43 0.39 0.00 0.00 0.00 178.83 177.70 1iku n GLU 48 N -3.55 0.60 0.30 1.69 -0.58 -0.27 -3.79 120.64 115.04 1iku n GLU 48 Ca -0.03 0.51 -0.16 0.00 -0.42 0.00 0.00 57.16 57.06 1iku n GLU 48 Cb 0.09 -1.73 -0.08 0.00 -0.57 0.00 0.00 31.44 29.14 1iku n GLU 48 CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 1iku h PHE 49 N -0.81 -0.70 -1.48 -0.32 3.57 -0.67 -1.97 116.94 114.57 1iku h PHE 49 Ca -0.37 -0.02 0.43 0.00 3.53 0.00 0.00 57.97 61.54 1iku h PHE 49 Cb 1.45 0.23 -0.08 0.00 2.79 0.00 0.00 35.95 40.34 1iku h PHE 49 CO 0.09 -0.39 1.04 0.37 -2.23 0.00 0.00 178.31 177.19 1iku h GLN 50 N -0.87 0.04 0.02 1.11 5.75 -1.30 1.38 115.11 121.24 1iku h GLN 50 Ca -0.08 -0.00 -0.22 0.00 -0.15 0.00 0.00 58.65 58.20 1iku h GLN 50 Cb 0.62 -0.01 -0.00 0.00 1.07 0.00 0.00 27.48 29.15 1iku h GLN 50 CO 0.13 0.03 -0.95 1.15 -2.65 0.00 0.00 178.83 176.54 1iku h THR 51 N 0.05 1.47 0.00 2.39 2.02 -1.48 -2.41 112.91 114.94 1iku h THR 51 Ca 0.74 -2.63 -0.14 0.00 0.77 0.00 0.00 66.41 65.16 1iku h THR 51 Cb 2.79 2.51 -0.02 0.00 -1.74 0.00 0.00 68.15 71.70 1iku h THR 51 CO -0.10 0.77 -0.65 0.40 0.37 0.00 0.00 175.52 176.31 1iku h ILE 52 N 0.15 1.16 0.06 3.11 2.04 0.24 -2.30 117.51 121.96 1iku h ILE 52 Ca -0.07 -2.54 -0.24 0.00 1.00 0.00 0.00 64.86 63.02 1iku h ILE 52 Cb 1.59 2.50 -0.00 0.00 -0.74 0.00 0.00 36.82 40.18 1iku h ILE 52 CO 0.15 0.64 -1.06 0.22 0.00 0.00 0.00 178.15 178.11 1iku h TYR 53 N 0.00 0.46 0.00 1.37 3.20 -0.62 -1.97 116.97 119.40 1iku h TYR 53 Ca -0.01 -0.29 -0.17 0.00 3.14 0.00 0.00 58.73 61.40 1iku h TYR 53 Cb 1.45 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 39.66 1iku h TYR 53 CO 0.00 1.16 -0.82 1.03 -1.64 0.00 0.00 178.16 177.89 1iku h SER 54 N 0.12 0.00 0.11 -2.11 0.87 -1.46 -2.40 113.55 108.69 1iku h SER 54 Ca -0.09 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.27 1iku h SER 54 Cb 1.74 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 63.72 1iku h SER 54 CO 0.17 0.82 -0.86 0.50 -0.53 0.00 0.00 176.83 176.93 1iku h LYS 55 N 0.00 0.38 -0.07 2.24 3.64 -1.44 -3.00 116.57 118.31 1iku h LYS 55 Ca -0.01 -0.56 -0.12 0.00 -1.27 0.00 0.00 60.65 58.69 1iku h LYS 55 Cb 1.59 0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 33.60 1iku h LYS 55 CO 0.11 1.24 -0.49 0.74 -2.27 0.00 0.00 179.45 178.77 1iku h PHE 56 N -0.19 0.23 -2.74 1.91 -1.00 -1.45 -3.38 116.94 110.31 1iku h PHE 56 Ca -0.14 -0.07 -0.58 0.00 2.81 0.00 0.00 57.97 59.99 1iku h PHE 56 Cb 1.63 -0.05 -0.39 0.00 3.61 0.00 0.00 35.95 40.75 1iku h PHE 56 CO 0.17 0.64 -0.81 -0.06 -1.61 0.00 0.00 178.31 176.64 1iku s PHE 57 N -3.97 1.06 0.00 -0.55 0.08 -0.90 -4.52 117.98 109.18 1iku s PHE 57 Ca -0.04 -1.76 0.00 0.00 0.12 0.00 0.00 56.93 55.25 1iku s PHE 57 Cb 0.13 -1.21 0.00 0.00 -0.57 0.00 0.00 43.02 41.37 1iku s PHE 57 CO 0.77 -0.82 0.31 -0.35 -0.10 0.00 0.00 175.22 175.04 1iku n PRO 58 N 4.09 0.00 0.00 0.24 -0.05 -1.13 -3.45 135.00 134.70 1iku n PRO 58 Ca 0.08 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.53 1iku n PRO 58 Cb 0.37 -0.80 0.00 0.00 -0.05 0.00 0.00 33.50 33.03 1iku n PRO 58 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 175.50 173.54 1iku n GLU 59 N -0.44 0.33 -0.22 0.54 4.07 -1.26 -3.13 120.64 120.54 1iku n GLU 59 Ca 0.00 0.00 0.07 0.00 -0.06 0.00 0.00 57.16 57.17 1iku n GLU 59 Cb 0.00 -1.22 0.21 0.00 -0.06 0.00 0.00 31.44 30.37 1iku n GLU 59 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1iku n ALA 60 N 0.48 2.43 -2.32 4.31 0.00 -1.22 -5.00 120.51 119.19 1iku n ALA 60 Ca 0.00 -0.77 -0.03 0.00 0.00 0.00 0.00 53.44 52.64 1iku n ALA 60 Cb 0.11 -0.97 -0.03 0.00 0.00 0.00 0.00 19.45 18.56 1iku n ALA 60 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1iku n ASP 61 N 0.79 -3.31 -0.54 0.00 -0.08 -1.18 -4.38 116.55 107.84 1iku n ASP 61 Ca 0.15 1.30 0.00 0.00 -1.51 0.00 0.00 54.79 54.73 1iku n ASP 61 Cb 0.38 -4.60 0.00 0.00 2.34 0.00 0.00 41.12 39.24 1iku n ASP 61 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1iku n PRO 62 N 1.48 0.29 -1.04 -0.67 -0.05 -1.26 -1.69 135.00 132.06 1iku n PRO 62 Ca -0.24 0.00 -0.05 0.00 -0.05 0.00 0.00 63.50 63.17 1iku n PRO 62 Cb 0.37 -1.16 -0.05 0.00 -0.05 0.00 0.00 33.50 32.60 1iku n PRO 62 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 175.50 175.81 1iku n LYS 63 N 0.40 0.00 0.00 0.54 2.85 -1.26 -4.85 118.16 115.84 1iku n LYS 63 Ca 0.00 -1.10 0.00 0.00 -1.05 0.00 0.00 58.31 56.16 1iku n LYS 63 Cb 0.08 0.38 0.00 0.00 -0.65 0.00 0.00 35.03 34.84 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 0.08 0.00 -0.05 0.58 0.00 -0.68 -4.79 120.51 115.65 1iku n ALA 64 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1iku n ALA 64 Cb 0.76 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.21 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 0.00 -0.27 0.00 9.36 -1.26 -4.27 117.16 120.72 1iku n TYR 65 Ca 0.00 0.00 0.29 0.00 3.32 0.00 0.00 57.90 61.51 1iku n TYR 65 Cb 0.00 -0.21 0.45 0.00 -0.63 0.00 0.00 39.34 38.95 1iku n TYR 65 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1iku n ALA 66 N -2.22 1.04 -0.27 2.98 0.00 -1.26 0.05 120.51 120.84 1iku n ALA 66 Ca 0.00 0.36 0.09 0.00 0.00 0.00 0.00 53.44 53.89 1iku n ALA 66 Cb 0.00 -0.63 0.23 0.00 0.00 0.00 0.00 19.45 19.06 1iku n ALA 66 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1iku h GLN 67 N 0.00 0.31 -0.19 0.00 5.75 -1.87 0.47 115.11 119.58 1iku h GLN 67 Ca 0.52 -0.02 -0.14 0.00 -0.15 0.00 0.00 58.65 58.85 1iku h GLN 67 Cb 2.82 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 31.31 1iku h GLN 67 CO -0.01 0.20 -0.45 1.25 -2.65 0.00 0.00 178.83 177.18 1iku h HIS 68 N 0.32 0.81 -0.49 3.99 2.76 -0.63 -1.94 115.15 119.96 1iku h HIS 68 Ca 0.48 -0.31 0.04 0.00 -2.20 0.00 0.00 60.37 58.38 1iku h HIS 68 Cb 0.86 -0.14 -0.04 0.00 1.55 0.00 0.00 27.41 29.63 1iku h HIS 68 CO -0.22 1.08 0.24 0.28 -1.30 0.00 0.00 177.93 178.01 1iku h VAL 69 N 0.31 0.95 0.26 5.26 2.07 -1.18 0.21 116.25 124.13 1iku h VAL 69 Ca -0.00 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 1iku h VAL 69 Cb 1.06 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 1iku h VAL 69 CO 0.10 0.09 -0.13 0.15 0.02 0.00 0.00 177.57 177.80 1iku h PHE 70 N 0.48 -0.33 0.00 1.57 3.04 -1.02 -2.78 116.94 117.90 1iku h PHE 70 Ca 0.22 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.16 1iku h PHE 70 Cb 0.13 0.11 0.00 0.00 2.56 0.00 0.00 35.95 38.75 1iku h PHE 70 CO -0.11 -0.21 0.28 0.00 -2.02 0.00 0.00 178.31 176.26 1iku h ARG 71 N -0.61 0.00 0.04 1.11 3.08 -1.36 -0.51 114.38 116.12 1iku h ARG 71 Ca -0.04 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.96 1iku h ARG 71 Cb 0.27 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.33 1iku h ARG 71 CO 0.06 0.00 -0.25 1.03 -1.07 0.00 0.00 179.97 179.74 1iku h SER 72 N 0.00 0.16 0.00 7.04 0.87 -0.45 -3.21 113.55 117.96 1iku h SER 72 Ca 0.00 -0.94 0.00 0.00 -1.23 0.00 0.00 61.79 59.62 1iku h SER 72 Cb 0.56 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.47 1iku h SER 72 CO 0.00 1.09 0.63 -0.26 -0.53 0.00 0.00 176.83 177.76 1iku h PHE 73 N -0.75 0.00 -0.76 2.24 -1.00 -0.81 -3.42 116.94 112.44 1iku h PHE 73 Ca -0.04 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.68 1iku h PHE 73 Cb 1.16 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.69 1iku h PHE 73 CO 0.24 0.00 -0.06 -3.47 -1.61 0.00 0.00 178.31 173.41 1iku n ASP 74 N -2.23 -1.86 0.00 2.17 -0.08 -1.21 -4.64 116.55 108.70 1iku n ASP 74 Ca -0.01 0.08 0.00 0.00 -1.51 0.00 0.00 54.79 53.35 1iku n ASP 74 Cb 0.65 -1.66 0.00 0.00 2.34 0.00 0.00 41.12 42.45 1iku n ASP 74 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1iku n ALA 75 N 0.07 0.00 -2.99 -1.67 0.00 -1.26 -4.88 120.51 109.78 1iku n ALA 75 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1iku n ALA 75 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.64 1iku n ALA 75 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1iku n ASN 76 N -1.86 0.04 -0.00 0.00 3.02 -1.25 -5.01 115.26 110.19 1iku n ASN 76 Ca 0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.42 1iku n ASN 76 Cb 0.00 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.08 1iku n ASN 76 CO 0.00 0.00 0.00 -1.28 -2.62 0.00 0.00 177.26 173.36 1iku h SER 77 N 0.00 0.03 0.00 6.41 0.87 -1.92 -3.40 113.55 115.54 1iku h SER 77 Ca 0.00 -0.36 0.00 0.00 -1.23 0.00 0.00 61.79 60.20 1iku h SER 77 Cb 0.00 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 61.95 1iku h SER 77 CO 0.00 0.38 0.00 -0.67 -0.53 0.00 0.00 176.83 176.01 1iku n ASP 78 N -4.90 0.00 0.00 6.23 2.03 -1.26 -5.01 116.55 113.64 1iku n ASP 78 Ca -0.08 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.23 1iku n ASP 78 Cb 0.20 -0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.60 1iku n ASP 78 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1iku n GLY 79 N 2.50 0.00 3.92 0.27 0.00 -1.26 -5.10 105.19 105.51 1iku n GLY 79 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 4.97 0.20 2.61 -4.23 -1.26 -4.32 115.64 113.60 1iku s THR 80 Ca 0.00 0.01 -0.10 0.00 -1.18 0.00 0.00 61.69 60.42 1iku s THR 80 Cb 0.00 -3.85 -0.01 0.00 1.34 0.00 0.00 72.50 69.98 1iku s THR 80 CO 0.00 -0.71 0.34 -1.48 -0.54 0.00 0.00 174.62 172.23 1iku s LEU 81 N -4.48 0.74 0.30 4.79 0.05 -0.48 -3.91 118.68 115.69 1iku s LEU 81 Ca 0.45 -0.94 -0.28 0.00 0.05 0.00 0.00 54.13 53.42 1iku s LEU 81 Cb -0.10 1.31 -0.09 0.00 -2.05 0.00 0.00 46.19 45.26 1iku s LEU 81 CO 0.40 -0.97 0.97 -0.62 -0.55 0.00 0.00 176.35 175.58 1iku s ASP 82 N -3.00 7.39 -0.13 1.48 -1.08 -1.26 -1.52 116.67 118.54 1iku s ASP 82 Ca 0.21 1.95 -0.06 0.00 -0.52 0.00 0.00 52.55 54.13 1iku s ASP 82 Cb 0.02 -2.60 -0.26 0.00 -1.46 0.00 0.00 42.92 38.63 1iku s ASP 82 CO 0.04 -0.03 0.33 0.33 0.52 0.00 0.00 175.17 176.36 1iku n PHE 83 N 0.91 1.19 0.26 -5.34 7.35 -1.00 -3.52 117.46 117.31 1iku n PHE 83 Ca 0.00 0.25 -0.16 0.00 -0.76 0.00 0.00 57.45 56.79 1iku n PHE 83 Cb 0.48 -1.15 -0.08 0.00 0.35 0.00 0.00 39.48 39.07 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 0.06 -0.59 -0.79 -4.13 1.57 -1.94 -0.93 116.57 109.83 1iku h LYS 84 Ca -0.43 0.04 0.04 0.00 -1.87 0.00 0.00 60.65 58.43 1iku h LYS 84 Cb 2.02 0.13 -0.05 0.00 0.08 0.00 0.00 32.23 34.42 1iku h LYS 84 CO 0.08 -0.38 0.52 0.93 -0.57 0.00 0.00 179.45 180.03 1iku h GLU 85 N -0.63 0.92 -0.81 3.15 3.07 -1.97 -0.76 114.58 117.55 1iku h GLU 85 Ca -0.06 -0.06 -0.01 0.00 -0.50 0.00 0.00 59.36 58.73 1iku h GLU 85 Cb 0.48 -0.21 -0.04 0.00 -0.84 0.00 0.00 28.75 28.14 1iku h GLU 85 CO 0.10 0.61 0.47 -0.92 -1.40 0.00 0.00 179.01 177.87 1iku h TYR 86 N 0.94 1.07 0.46 4.33 5.03 -1.50 -2.38 116.97 124.93 1iku h TYR 86 Ca 0.32 -0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.60 1iku h TYR 86 Cb 0.10 -0.35 0.00 0.00 1.55 0.00 0.00 36.73 38.03 1iku h TYR 86 CO -0.00 0.72 -0.22 0.28 -1.32 0.00 0.00 178.16 177.62 1iku h VAL 87 N 1.12 0.39 -0.42 1.81 2.07 0.23 -2.68 116.25 118.77 1iku h VAL 87 Ca 0.29 -0.50 0.05 0.00 0.82 0.00 0.00 66.70 67.36 1iku h VAL 87 Cb -0.02 0.56 -0.07 0.00 -1.52 0.00 0.00 31.29 30.23 1iku h VAL 87 CO -0.05 0.06 -0.48 0.40 0.02 0.00 0.00 177.57 177.52 1iku h ILE 88 N -0.97 0.00 -0.93 4.57 2.04 -1.22 0.28 117.51 121.28 1iku h ILE 88 Ca -0.06 0.00 0.26 0.00 1.00 0.00 0.00 64.86 66.05 1iku h ILE 88 Cb 0.58 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.52 1iku h ILE 88 CO 0.10 0.00 0.42 0.00 0.00 0.00 0.00 178.15 178.67 1iku h ALA 89 N -0.17 1.57 0.00 1.87 0.00 -1.50 1.03 119.26 122.07 1iku h ALA 89 Ca 0.07 0.18 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 1iku h ALA 89 Cb 0.49 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1iku h ALA 89 CO -0.55 -0.43 -0.21 -0.07 0.00 0.00 0.00 179.25 177.99 1iku h LEU 90 N 0.34 0.00 0.00 0.00 3.38 -0.16 -3.01 115.31 115.86 1iku h LEU 90 Ca 0.62 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.52 1iku h LEU 90 Cb 1.27 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.01 1iku h LEU 90 CO -0.58 0.21 -0.39 0.45 0.09 0.00 0.00 178.44 178.21 1iku h HIS 91 N 0.00 0.00 0.00 1.13 3.86 0.27 -3.35 115.15 117.06 1iku h HIS 91 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1iku h HIS 91 Cb 0.38 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.85 1iku h HIS 91 CO 0.00 0.91 0.00 -1.33 0.86 0.00 0.00 177.93 178.37 1iku n MET 92 N -4.59 0.00 -0.30 2.45 2.81 0.51 -3.81 117.12 114.19 1iku n MET 92 Ca -0.14 0.00 0.24 0.00 -1.81 0.00 0.00 57.70 55.98 1iku n MET 92 Cb 0.45 -0.26 0.37 0.00 -0.71 0.00 0.00 33.22 33.07 1iku n MET 92 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 1iku n THR 93 N 0.00 -0.04 0.00 2.03 5.66 -1.14 -3.31 114.28 117.48 1iku n THR 93 Ca 0.00 0.76 0.00 0.00 -3.05 0.00 0.00 64.05 61.76 1iku n THR 93 Cb 0.00 -1.27 0.00 0.00 -1.55 0.00 0.00 70.33 67.51 1iku n THR 93 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1iku n SER 94 N -3.15 0.00 -3.30 1.09 3.41 -1.24 -4.98 113.62 105.44 1iku n SER 94 Ca 0.21 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.77 1iku n SER 94 Cb 0.90 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.86 1iku n SER 94 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1iku s ALA 95 N -2.11 -1.36 0.00 7.33 0.00 -1.21 -5.11 121.76 119.30 1iku s ALA 95 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 51.96 51.57 1iku s ALA 95 Cb 0.00 0.73 0.00 0.00 0.00 0.00 0.00 23.12 23.85 1iku s ALA 95 CO 0.00 -1.04 0.00 0.41 0.00 0.00 0.00 175.76 175.13 1iku n GLY 96 N -0.62 0.37 3.25 0.00 0.00 -1.26 -4.93 105.19 101.99 1iku n GLY 96 Ca -0.05 -0.40 -0.16 0.00 0.00 0.00 0.00 46.02 45.41 1iku n GLY 96 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1iku s LYS 97 N 0.00 1.52 0.00 1.61 2.47 -1.26 -5.08 119.74 119.00 1iku s LYS 97 Ca 0.00 -1.85 0.00 0.00 -1.56 0.00 0.00 55.97 52.56 1iku s LYS 97 Cb 0.00 0.30 0.00 0.00 -1.46 0.00 0.00 37.83 36.67 1iku s LYS 97 CO 0.00 -0.54 0.06 2.41 0.16 0.00 0.00 175.35 177.44 1iku n THR 98 N -0.47 0.00 -0.06 3.43 -1.04 -1.26 -2.95 114.28 111.93 1iku n THR 98 Ca 0.05 0.20 0.24 0.00 -2.04 0.00 0.00 64.05 62.50 1iku n THR 98 Cb 0.64 -0.48 0.55 0.00 -1.82 0.00 0.00 70.33 69.22 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 0.00 0.17 8.00 -0.73 -1.99 0.59 115.58 121.62 1iku h ASN 99 Ca 0.00 0.00 -0.13 0.00 1.87 0.00 0.00 56.30 58.04 1iku h ASN 99 Cb 0.00 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.58 1iku h ASN 99 CO 0.00 0.00 -0.48 1.56 -0.37 0.00 0.00 177.43 178.14 1iku h GLN 100 N 0.00 0.36 0.05 6.67 1.08 -1.99 -2.61 115.11 118.66 1iku h GLN 100 Ca 0.34 -0.20 -0.26 0.00 -1.45 0.00 0.00 58.65 57.08 1iku h GLN 100 Cb 2.11 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 29.53 1iku h GLN 100 CO -0.00 0.76 -1.35 0.87 -0.95 0.00 0.00 178.83 178.16 1iku h LYS 101 N 0.29 0.10 0.38 1.46 1.79 0.30 -3.30 116.57 117.59 1iku h LYS 101 Ca 0.02 -0.18 -0.02 0.00 -2.18 0.00 0.00 60.65 58.29 1iku h LYS 101 Cb 0.95 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.67 1iku h LYS 101 CO 0.08 0.95 -0.18 -0.07 -1.08 0.00 0.00 179.45 179.14 1iku h LEU 102 N 0.03 -0.43 -1.94 2.94 3.38 -1.45 -1.81 115.31 116.03 1iku h LEU 102 Ca -0.16 0.01 0.48 0.00 0.09 0.00 0.00 57.88 58.31 1iku h LEU 102 Cb 1.92 0.11 -0.07 0.00 0.09 0.00 0.00 40.66 42.71 1iku h LEU 102 CO 0.14 -0.18 1.17 -0.33 0.09 0.00 0.00 178.44 179.33 1iku h GLU 103 N -0.77 0.01 -0.04 1.13 5.08 -1.65 0.87 114.58 119.22 1iku h GLU 103 Ca -0.05 -0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.24 1iku h GLU 103 Cb 0.39 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1iku h GLU 103 CO 0.09 0.01 -0.25 2.35 -1.00 0.00 0.00 179.01 180.21 1iku h TRP 104 N 0.01 0.32 -0.34 4.33 7.01 -1.60 -0.38 115.95 125.30 1iku h TRP 104 Ca 0.80 -0.15 -0.03 0.00 2.11 0.00 0.00 58.89 61.62 1iku h TRP 104 Cb 3.13 -0.05 -0.01 0.00 -2.10 0.00 0.00 29.16 30.13 1iku h TRP 104 CO -0.00 0.88 0.08 0.00 -2.79 0.00 0.00 178.44 176.62 1iku h ALA 105 N 0.37 0.45 -0.38 2.65 0.00 0.15 0.08 119.26 122.57 1iku h ALA 105 Ca -0.02 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 1iku h ALA 105 Cb 0.92 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1iku h ALA 105 CO 0.05 0.12 -0.13 0.35 0.00 0.00 0.00 179.25 179.64 1iku h PHE 106 N 0.40 0.76 0.00 0.00 3.04 -0.73 -1.54 116.94 118.86 1iku h PHE 106 Ca 0.11 -0.14 0.00 0.00 3.98 0.00 0.00 57.97 61.92 1iku h PHE 106 Cb 0.30 -0.19 0.00 0.00 2.56 0.00 0.00 35.95 38.62 1iku h PHE 106 CO 0.02 0.79 0.00 0.43 -2.02 0.00 0.00 178.31 177.52 1iku n SER 107 N -4.16 0.62 0.03 0.41 7.64 -0.15 -1.13 113.62 116.87 1iku n SER 107 Ca 0.01 0.62 -0.10 0.00 1.01 0.00 0.00 58.87 60.40 1iku n SER 107 Cb 0.36 -0.76 -0.13 0.00 -1.01 0.00 0.00 64.21 62.67 1iku n SER 107 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1iku h LEU 108 N 0.00 0.09 0.00 -3.43 5.85 0.02 -3.35 115.31 114.50 1iku h LEU 108 Ca 0.00 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.58 1iku h LEU 108 Cb 0.47 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.47 1iku h LEU 108 CO 0.00 1.12 -1.21 -1.22 -0.34 0.00 0.00 178.44 176.79 1iku n TYR 109 N -3.25 0.22 -1.11 1.25 4.01 -0.94 -4.50 117.16 112.83 1iku n TYR 109 Ca -0.11 0.06 -0.27 0.00 -0.16 0.00 0.00 57.90 57.42 1iku n TYR 109 Cb 1.01 -0.42 -0.08 0.00 -0.31 0.00 0.00 39.34 39.55 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 -2.00 6.97 0.00 7.72 5.75 -0.28 -4.76 116.55 129.95 1iku n ASP 110 Ca 0.01 -2.49 0.00 0.00 -0.01 0.00 0.00 54.79 52.30 1iku n ASP 110 Cb 0.45 -1.43 0.00 0.00 -1.03 0.00 0.00 41.12 39.12 1iku n ASP 110 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 1iku n VAL 111 N 3.25 0.00 -1.62 2.12 0.24 -1.26 -4.81 118.33 116.25 1iku n VAL 111 Ca 0.61 0.54 0.00 0.00 -2.04 0.00 0.00 64.34 63.45 1iku n VAL 111 Cb 0.45 -1.33 0.00 0.00 -1.47 0.00 0.00 33.84 31.50 1iku n VAL 111 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1iku n ASP 112 N -0.05 0.00 0.00 -1.34 5.75 -1.26 -4.98 116.55 114.67 1iku n ASP 112 Ca 0.00 -1.00 -0.00 0.00 -0.01 0.00 0.00 54.79 53.78 1iku n ASP 112 Cb 0.00 0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1iku n ASP 112 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1iku h GLY 113 N 0.00 -1.33 0.00 6.12 0.00 -1.91 -3.44 103.07 102.50 1iku h GLY 113 Ca 0.00 0.58 0.00 0.00 0.00 0.00 0.00 47.33 47.91 1iku h GLY 113 CO 0.00 -0.50 0.00 -2.01 0.00 0.00 0.00 176.54 174.03 1iku n ASN 114 N -2.57 0.00 0.00 0.19 5.15 -1.26 -5.04 115.26 111.73 1iku n ASN 114 Ca -0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1iku n ASN 114 Cb 0.01 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.26 1iku n ASN 114 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1iku n GLY 115 N -0.16 0.99 3.25 8.20 0.00 -1.26 -5.10 105.19 111.11 1iku n GLY 115 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.78 0.08 0.10 2.61 -4.23 -1.26 -3.62 115.64 107.54 1iku s THR 116 Ca 0.00 -1.61 0.06 0.00 -1.18 0.00 0.00 61.69 58.96 1iku s THR 116 Cb 0.00 -1.92 -0.03 0.00 1.34 0.00 0.00 72.50 71.89 1iku s THR 116 CO 0.00 -0.38 -0.16 -0.51 -0.54 0.00 0.00 174.62 173.03 1iku s ILE 117 N -4.00 1.39 0.43 2.99 2.07 -0.77 -4.77 121.20 118.54 1iku s ILE 117 Ca 0.20 -1.53 0.07 0.00 -1.41 0.00 0.00 60.65 57.97 1iku s ILE 117 Cb 0.05 -1.39 -0.04 0.00 0.13 0.00 0.00 42.46 41.21 1iku s ILE 117 CO 0.00 -0.24 0.18 -0.94 -1.91 0.00 0.00 174.94 172.03 1iku s SER 118 N -2.06 4.39 0.11 4.50 1.04 -1.26 -2.02 113.70 118.40 1iku s SER 118 Ca 0.05 -1.15 -0.24 0.00 0.48 0.00 0.00 55.95 55.09 1iku s SER 118 Cb -0.08 -0.32 -0.10 0.00 0.10 0.00 0.00 66.02 65.62 1iku s SER 118 CO 0.03 -0.61 1.70 0.50 0.98 0.00 0.00 173.24 175.84 1iku h LYS 119 N 1.38 -0.18 -0.98 4.02 3.64 -2.00 -2.09 116.57 120.36 1iku h LYS 119 Ca -0.42 0.01 0.33 0.00 -1.27 0.00 0.00 60.65 59.30 1iku h LYS 119 Cb 1.26 0.04 -0.16 0.00 -0.41 0.00 0.00 32.23 32.96 1iku h LYS 119 CO 0.70 -0.12 0.43 -2.95 -2.27 0.00 0.00 179.45 175.24 1iku h ASN 120 N -0.18 0.23 -0.47 4.20 7.08 -1.99 0.93 115.58 125.37 1iku h ASN 120 Ca 0.03 0.23 -0.04 0.00 -3.08 0.00 0.00 56.30 53.44 1iku h ASN 120 Cb 0.22 0.25 -0.02 0.00 -2.08 0.00 0.00 38.32 36.69 1iku h ASN 120 CO -0.09 -0.26 0.14 -0.33 -2.08 0.00 0.00 177.43 174.81 1iku h GLU 121 N 0.16 0.74 -0.60 4.14 5.08 -1.79 -1.90 114.58 120.41 1iku h GLU 121 Ca 0.72 -0.16 0.02 0.00 -1.00 0.00 0.00 59.36 58.94 1iku h GLU 121 Cb 1.69 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.80 1iku h GLU 121 CO -0.71 0.71 0.38 0.28 -1.00 0.00 0.00 179.01 178.67 1iku h VAL 122 N 0.63 1.11 -0.45 3.13 2.07 0.10 -2.21 116.25 120.64 1iku h VAL 122 Ca 0.15 -0.26 0.06 0.00 0.82 0.00 0.00 66.70 67.47 1iku h VAL 122 Cb 0.28 0.28 -0.05 0.00 -1.52 0.00 0.00 31.29 30.27 1iku h VAL 122 CO -0.00 0.14 0.15 0.25 0.02 0.00 0.00 177.57 178.13 1iku h LEU 123 N 0.76 0.14 -0.12 2.57 5.85 -0.70 -1.79 115.31 122.03 1iku h LEU 123 Ca 0.23 0.06 0.05 0.00 0.84 0.00 0.00 57.88 59.05 1iku h LEU 123 Cb -0.03 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 40.99 1iku h LEU 123 CO -0.08 0.11 -0.33 -0.33 -0.34 0.00 0.00 178.44 177.47 1iku h GLU 124 N 0.32 -0.40 -0.50 1.25 5.08 -0.73 0.52 114.58 120.11 1iku h GLU 124 Ca 0.21 0.03 0.10 0.00 -1.00 0.00 0.00 59.36 58.70 1iku h GLU 124 Cb 0.22 0.09 -0.08 0.00 0.50 0.00 0.00 28.75 29.48 1iku h GLU 124 CO -0.22 -0.27 -0.00 0.82 -1.00 0.00 0.00 179.01 178.33 1iku h ILE 125 N -0.42 0.60 -0.04 3.13 2.04 -1.15 0.25 117.51 121.93 1iku h ILE 125 Ca 0.09 -0.04 -0.03 0.00 1.00 0.00 0.00 64.86 65.88 1iku h ILE 125 Cb 0.56 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 1iku h ILE 125 CO -0.35 0.02 -0.14 0.58 0.00 0.00 0.00 178.15 178.26 1iku h VAL 126 N 0.11 1.12 0.00 1.67 2.07 -0.40 -1.61 116.25 119.21 1iku h VAL 126 Ca 0.25 -0.56 -0.12 0.00 0.82 0.00 0.00 66.70 67.09 1iku h VAL 126 Cb 0.38 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 1iku h VAL 126 CO -0.42 0.17 -0.58 0.74 0.02 0.00 0.00 177.57 177.50 1iku h THR 127 N 0.05 1.22 0.17 2.57 2.02 0.32 -2.01 112.91 117.25 1iku h THR 127 Ca 0.01 -2.11 -0.01 0.00 0.77 0.00 0.00 66.41 65.07 1iku h THR 127 Cb 0.28 2.20 0.00 0.00 -1.74 0.00 0.00 68.15 68.90 1iku h THR 127 CO 0.02 0.56 -0.08 0.00 0.37 0.00 0.00 175.52 176.39 1iku h ALA 128 N 1.42 -0.23 -0.62 6.16 0.00 0.11 -1.58 119.26 124.52 1iku h ALA 128 Ca -0.01 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 1iku h ALA 128 Cb 1.16 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 1iku h ALA 128 CO 0.07 -0.44 0.08 0.82 0.00 0.00 0.00 179.25 179.79 1iku h ILE 129 N -0.61 1.26 0.04 0.00 2.04 -1.53 -2.48 117.51 116.23 1iku h ILE 129 Ca -0.02 -1.04 0.01 0.00 1.00 0.00 0.00 64.86 64.81 1iku h ILE 129 Cb 0.45 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 1iku h ILE 129 CO 0.04 0.38 -0.08 0.15 0.00 0.00 0.00 178.15 178.64 1iku h PHE 130 N 0.95 -0.21 -0.97 1.37 3.04 -1.36 -0.19 116.94 119.56 1iku h PHE 130 Ca 0.19 0.00 0.22 0.00 3.98 0.00 0.00 57.97 62.36 1iku h PHE 130 Cb 0.45 0.09 -0.08 0.00 2.56 0.00 0.00 35.95 38.97 1iku h PHE 130 CO 0.03 -0.13 0.63 0.87 -2.02 0.00 0.00 178.31 177.69 1iku h LYS 131 N -0.16 0.46 -0.42 1.11 1.79 -1.13 0.68 116.57 118.90 1iku h LYS 131 Ca 0.02 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1iku h LYS 131 Cb 0.18 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 30.71 1iku h LYS 131 CO -0.06 0.30 0.27 1.98 -1.08 0.00 0.00 179.45 180.86 1iku h MET 132 N 0.47 0.56 -6.48 3.15 4.05 -0.58 -3.40 114.93 112.69 1iku h MET 132 Ca 0.53 -0.04 -0.53 0.00 -0.28 0.00 0.00 59.70 59.38 1iku h MET 132 Cb 1.22 -0.12 0.01 0.00 -0.80 0.00 0.00 31.60 31.91 1iku h MET 132 CO -0.25 0.38 0.70 0.42 0.23 0.00 0.00 176.91 178.40 1iku s ILE 133 N -5.49 3.63 1.13 1.77 1.01 0.24 -4.78 121.20 118.70 1iku s ILE 133 Ca -0.08 1.13 -0.16 0.00 0.00 0.00 0.00 60.65 61.54 1iku s ILE 133 Cb 0.17 -3.73 0.18 0.00 0.01 0.00 0.00 42.46 39.09 1iku s ILE 133 CO 0.73 0.06 0.48 -1.20 0.00 0.00 0.00 174.94 175.02 1iku n SER 134 N 4.32 -2.02 0.14 3.58 7.64 -1.26 -4.91 113.62 121.11 1iku n SER 134 Ca 0.11 -0.09 -0.14 0.00 1.01 0.00 0.00 58.87 59.76 1iku n SER 134 Cb 0.44 -1.11 -0.08 0.00 -1.01 0.00 0.00 64.21 62.45 1iku n SER 134 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1iku h PRO 135 N -2.29 -0.29 0.00 1.43 0.13 -1.94 -3.24 132.00 125.80 1iku h PRO 135 Ca -0.56 0.02 -0.12 0.00 -0.87 0.00 0.00 66.00 64.47 1iku h PRO 135 Cb 1.34 0.07 -0.02 0.00 0.13 0.00 0.00 31.00 32.52 1iku h PRO 135 CO 0.43 -0.14 -1.34 -0.85 -0.23 0.00 0.00 178.00 175.87 1iku n GLU 136 N -5.19 0.62 0.00 0.86 0.28 -1.26 -3.87 120.64 112.08 1iku n GLU 136 Ca -0.09 0.18 0.00 0.00 -0.16 0.00 0.00 57.16 57.09 1iku n GLU 136 Cb 0.17 -1.80 0.00 0.00 1.43 0.00 0.00 31.44 31.24 1iku n GLU 136 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1iku n ASP 137 N -2.81 0.00 0.17 -1.84 2.03 -1.22 -0.50 116.55 112.38 1iku n ASP 137 Ca -0.07 0.00 0.10 0.00 0.52 0.00 0.00 54.79 55.34 1iku n ASP 137 Cb 0.76 0.00 0.10 0.00 -0.72 0.00 0.00 41.12 41.26 1iku n ASP 137 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1iku h THR 138 N 0.00 0.13 -0.76 5.18 1.35 -1.67 -3.28 112.91 113.85 1iku h THR 138 Ca 0.00 -1.19 0.22 0.00 -0.55 0.00 0.00 66.41 64.89 1iku h THR 138 Cb 0.00 1.93 -0.03 0.00 -1.73 0.00 0.00 68.15 68.32 1iku h THR 138 CO 0.00 0.07 0.66 0.50 -0.25 0.00 0.00 175.52 176.50 1iku h LYS 139 N 0.00 0.00 -0.00 4.72 3.64 -1.08 0.56 116.57 124.41 1iku h LYS 139 Ca -0.01 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.27 1iku h LYS 139 Cb 1.07 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.88 1iku h LYS 139 CO 0.01 0.00 -0.49 0.45 -2.27 0.00 0.00 179.45 177.15 1iku h HIS 140 N 0.00 0.00 -3.99 1.91 3.86 -1.80 -3.44 115.15 111.70 1iku h HIS 140 Ca 0.36 -0.00 -0.52 0.00 -1.16 0.00 0.00 60.37 59.05 1iku h HIS 140 Cb 1.67 -0.00 0.08 0.00 1.06 0.00 0.00 27.41 30.23 1iku h HIS 140 CO 0.00 0.49 0.55 -0.51 0.86 0.00 0.00 177.93 179.32 1iku s LEU 141 N -7.92 4.05 0.00 2.43 1.43 0.20 -5.02 118.68 113.84 1iku s LEU 141 Ca -0.02 2.51 0.00 0.00 -1.03 0.00 0.00 54.13 55.59 1iku s LEU 141 Cb 0.14 -4.14 0.00 0.00 0.03 0.00 0.00 46.19 42.22 1iku s LEU 141 CO 0.74 -1.03 0.00 -0.81 0.23 0.00 0.00 176.35 175.49 1iku n PRO 142 N -0.39 1.88 -0.00 1.29 -0.04 -1.26 -4.95 135.00 131.53 1iku n PRO 142 Ca 0.07 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.61 1iku n PRO 142 Cb 0.46 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.81 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 0.00 0.97 -0.54 0.54 0.28 -1.26 -4.31 120.64 116.33 1iku n GLU 143 Ca 0.00 -0.06 0.05 0.00 -0.16 0.00 0.00 57.16 56.99 1iku n GLU 143 Cb 0.00 -1.36 0.25 0.00 1.43 0.00 0.00 31.44 31.76 1iku n GLU 143 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1iku n ASP 144 N -1.66 3.85 -2.77 -1.84 5.75 -1.26 -4.04 116.55 114.58 1iku n ASP 144 Ca 0.01 -2.53 -0.03 0.00 -0.01 0.00 0.00 54.79 52.23 1iku n ASP 144 Cb 0.34 -0.59 0.06 0.00 -1.03 0.00 0.00 41.12 39.90 1iku n ASP 144 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1iku n GLU 145 N 0.44 1.50 0.17 0.11 1.02 -1.26 -4.62 120.64 117.99 1iku n GLU 145 Ca 0.17 -3.10 0.04 0.00 -0.02 0.00 0.00 57.16 54.26 1iku n GLU 145 Cb 0.81 -1.21 0.22 0.00 -0.02 0.00 0.00 31.44 31.24 1iku n GLU 145 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 1iku h ASN 146 N 2.51 0.00 -5.02 1.62 2.35 -1.83 -3.46 115.58 111.75 1iku h ASN 146 Ca -0.17 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.49 1iku h ASN 146 Cb 1.25 0.00 -0.18 0.00 0.05 0.00 0.00 38.32 39.44 1iku h ASN 146 CO 0.21 0.43 -0.17 0.28 -1.65 0.00 0.00 177.43 176.53 1iku s THR 147 N -3.35 0.06 0.23 2.81 -1.32 -1.26 -5.00 115.64 107.80 1iku s THR 147 Ca 0.02 -0.46 0.32 0.00 -1.21 0.00 0.00 61.69 60.36 1iku s THR 147 Cb 0.10 -0.82 0.32 0.00 -1.51 0.00 0.00 72.50 70.59 1iku s THR 147 CO 0.71 -0.25 1.99 1.55 -2.21 0.00 0.00 174.62 176.40 1iku h PRO 148 N 3.39 0.00 0.06 7.08 0.13 -1.89 -1.16 132.00 139.61 1iku h PRO 148 Ca -0.30 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.72 1iku h PRO 148 Cb 1.19 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.33 1iku h PRO 148 CO 0.42 0.00 -0.47 0.93 -0.23 0.00 0.00 178.00 178.65 1iku h GLU 149 N 0.00 0.21 0.00 0.86 5.08 -1.95 -1.60 114.58 117.18 1iku h GLU 149 Ca 0.00 -0.31 -0.08 0.00 -1.00 0.00 0.00 59.36 57.98 1iku h GLU 149 Cb 0.03 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1iku h GLU 149 CO 0.00 1.10 -0.37 -0.22 -1.00 0.00 0.00 179.01 178.52 1iku h LYS 150 N -0.52 0.00 -0.02 2.33 3.64 -1.75 -0.82 116.57 119.44 1iku h LYS 150 Ca -0.08 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.25 1iku h LYS 150 Cb 1.31 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.13 1iku h LYS 150 CO 0.09 0.37 -0.20 -0.09 -2.27 0.00 0.00 179.45 177.34 1iku h ARG 151 N 0.00 0.17 0.00 1.90 9.65 -1.30 -2.86 114.38 121.94 1iku h ARG 151 Ca -0.00 -0.16 -0.10 0.00 -1.10 0.00 0.00 59.98 58.62 1iku h ARG 151 Cb 0.92 0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.52 1iku h ARG 151 CO 0.05 0.86 -0.46 0.00 2.80 0.00 0.00 179.97 183.21 1iku h ALA 152 N 0.32 1.01 0.01 2.80 0.00 -1.25 -2.89 119.26 119.25 1iku h ALA 152 Ca -0.02 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 1iku h ALA 152 Cb 0.92 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1iku h ALA 152 CO 0.04 0.58 -0.00 0.93 0.00 0.00 0.00 179.25 180.80 1iku h GLU 153 N 0.00 -0.01 -0.30 0.00 4.39 -1.17 -0.11 114.58 117.38 1iku h GLU 153 Ca -0.00 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.71 1iku h GLU 153 Cb 0.95 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.58 1iku h GLU 153 CO 0.06 0.14 0.17 0.87 -1.16 0.00 0.00 179.01 179.08 1iku h LYS 154 N -0.15 0.34 -0.68 2.33 1.79 -1.45 -0.31 116.57 118.45 1iku h LYS 154 Ca -0.00 -0.02 0.03 0.00 -2.18 0.00 0.00 60.65 58.48 1iku h LYS 154 Cb 0.15 -0.08 -0.04 0.00 -1.58 0.00 0.00 32.23 30.68 1iku h LYS 154 CO 0.00 0.22 0.45 0.82 -1.08 0.00 0.00 179.45 179.86 1iku h ILE 155 N 0.35 1.11 0.00 1.86 2.04 -1.35 -0.27 117.51 121.25 1iku h ILE 155 Ca 0.12 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.70 1iku h ILE 155 Cb 0.01 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 36.30 1iku h ILE 155 CO -0.06 0.15 0.00 -0.25 0.00 0.00 0.00 178.15 177.99 1iku h TRP 156 N 0.83 0.00 0.01 1.37 2.91 -0.24 -0.85 115.95 119.98 1iku h TRP 156 Ca 0.27 0.00 -0.26 0.00 1.13 0.00 0.00 58.89 60.02 1iku h TRP 156 Cb 0.04 0.00 -0.04 0.00 -0.51 0.00 0.00 29.16 28.65 1iku h TRP 156 CO -0.00 0.00 -1.43 0.78 -1.03 0.00 0.00 178.44 176.76 1iku h GLY 157 N 3.38 0.01 1.04 2.65 0.00 0.56 -3.35 103.07 107.37 1iku h GLY 157 Ca 0.00 -0.04 -0.23 0.00 0.00 0.00 0.00 47.33 47.06 1iku h GLY 157 CO 0.00 0.03 -1.53 0.74 0.00 0.00 0.00 176.54 175.78 1iku h PHE 158 N 0.00 0.00 0.02 5.60 0.04 -1.14 -3.35 116.94 118.12 1iku h PHE 158 Ca -0.18 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.59 1iku h PHE 158 Cb 1.92 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 40.07 1iku h PHE 158 CO 0.00 0.81 -0.02 0.74 -0.60 0.00 0.00 178.31 179.24 1iku h PHE 159 N 0.00 -0.07 0.00 -0.55 0.04 -1.28 -3.43 116.94 111.65 1iku h PHE 159 Ca -0.22 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.55 1iku h PHE 159 Cb 1.81 0.03 0.00 0.00 2.20 0.00 0.00 35.95 39.98 1iku h PHE 159 CO 0.00 -0.03 0.00 0.41 -0.60 0.00 0.00 178.31 178.09 1iku n GLY 160 N -1.03 0.46 0.00 -1.45 0.00 -1.26 -5.04 105.19 96.88 1iku n GLY 160 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.86 1.61 4.81 -1.26 -5.06 118.16 117.40 1iku n LYS 161 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1iku n LYS 161 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1iku n LYS 161 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1iku n LYS 162 N 0.00 0.00 -3.95 1.64 2.85 -1.26 -5.03 118.16 112.40 1iku n LYS 162 Ca 0.00 0.00 -0.31 0.00 -1.05 0.00 0.00 58.31 56.95 1iku n LYS 162 Cb 0.00 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 34.33 1iku n LYS 162 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1iku s ASP 163 N -0.25 6.17 -0.03 -5.58 2.15 -1.26 -4.55 116.67 113.31 1iku s ASP 163 Ca 0.00 0.23 -0.00 0.00 0.43 0.00 0.00 52.55 53.20 1iku s ASP 163 Cb 0.00 -1.86 0.00 0.00 -0.30 0.00 0.00 42.92 40.76 1iku s ASP 163 CO 0.00 0.20 0.03 -0.67 -0.17 0.00 0.00 175.17 174.55 1iku n ASP 164 N 0.51 -2.04 -3.64 -0.34 -0.08 -1.26 -5.06 116.55 104.63 1iku n ASP 164 Ca -0.07 -0.01 -0.19 0.00 -1.51 0.00 0.00 54.79 53.00 1iku n ASP 164 Cb 0.52 -0.61 -0.16 0.00 2.34 0.00 0.00 41.12 43.20 1iku n ASP 164 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 1iku s ASP 165 N -3.02 1.12 0.57 1.67 1.01 -1.26 -5.15 116.67 111.60 1iku s ASP 165 Ca 0.01 0.09 -0.03 0.00 0.71 0.00 0.00 52.55 53.32 1iku s ASP 165 Cb -0.00 0.13 0.02 0.00 1.01 0.00 0.00 42.92 44.07 1iku s ASP 165 CO 0.02 -0.27 0.84 -1.59 0.21 0.00 0.00 175.17 174.38 1iku s LYS 166 N 2.25 2.78 -0.11 8.23 -2.85 -1.26 -4.85 119.74 123.93 1iku s LYS 166 Ca 0.04 -0.28 -0.02 0.00 -1.00 0.00 0.00 55.97 54.70 1iku s LYS 166 Cb -0.13 -2.36 -0.03 0.00 -2.06 0.00 0.00 37.83 33.25 1iku s LYS 166 CO -0.06 -0.68 -0.02 -0.51 0.10 0.00 0.00 175.35 174.17 1iku s LEU 167 N -4.89 3.41 0.64 2.77 1.43 -0.85 -4.92 118.68 116.26 1iku s LEU 167 Ca 0.54 0.02 -0.02 0.00 -1.03 0.00 0.00 54.13 53.64 1iku s LEU 167 Cb -0.10 -1.79 0.06 0.00 0.03 0.00 0.00 46.19 44.38 1iku s LEU 167 CO 0.42 0.30 0.90 0.42 0.23 0.00 0.00 176.35 178.62 1iku s THR 168 N -0.39 2.44 0.09 5.49 -4.23 -1.26 -1.85 115.64 115.93 1iku s THR 168 Ca 0.07 -0.49 -0.18 0.00 -1.18 0.00 0.00 61.69 59.91 1iku s THR 168 Cb -0.12 -2.96 -0.04 0.00 1.34 0.00 0.00 72.50 70.72 1iku s THR 168 CO 0.02 0.00 1.20 -1.84 -0.54 0.00 0.00 174.62 173.47 1iku n GLU 169 N -2.65 -0.26 0.01 3.99 0.28 -1.24 -0.98 120.64 119.79 1iku n GLU 169 Ca 0.09 1.19 -0.13 0.00 -0.16 0.00 0.00 57.16 58.15 1iku n GLU 169 Cb 0.60 -1.76 -0.09 0.00 1.43 0.00 0.00 31.44 31.63 1iku n GLU 169 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 177.13 176.75 1iku h LYS 170 N 0.00 -0.00 -0.92 3.44 3.64 -1.94 -2.79 116.57 117.99 1iku h LYS 170 Ca 0.09 0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.57 1iku h LYS 170 Cb 0.24 0.00 -0.12 0.00 -0.41 0.00 0.00 32.23 31.93 1iku h LYS 170 CO -0.55 0.33 -0.53 0.93 -2.27 0.00 0.00 179.45 177.36 1iku h GLU 171 N -0.34 -0.05 0.34 1.90 3.07 -1.66 1.17 114.58 119.02 1iku h GLU 171 Ca -0.00 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1iku h GLU 171 Cb 0.33 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.24 1iku h GLU 171 CO 0.00 -0.03 -0.30 0.35 -1.40 0.00 0.00 179.01 177.63 1iku h PHE 172 N -0.05 -0.81 0.00 4.33 3.57 -1.09 2.11 116.94 125.00 1iku h PHE 172 Ca 0.20 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.70 1iku h PHE 172 Cb 0.48 0.31 0.00 0.00 2.79 0.00 0.00 35.95 39.53 1iku h PHE 172 CO -0.95 -0.44 0.00 -0.89 -2.23 0.00 0.00 178.31 173.80 1iku n ILE 173 N -5.42 0.00 0.30 1.41 2.08 -0.29 -1.79 119.36 115.65 1iku n ILE 173 Ca -0.10 1.44 0.16 0.00 0.56 0.00 0.00 62.75 64.82 1iku n ILE 173 Cb 0.33 -2.39 0.83 0.00 -0.75 0.00 0.00 39.64 37.66 1iku n ILE 173 CO 0.00 0.00 0.00 -0.08 0.56 0.00 0.00 176.55 177.03 1iku h GLU 174 N 0.00 0.00 -0.30 0.38 4.81 0.13 0.24 114.58 119.84 1iku h GLU 174 Ca 0.00 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.16 1iku h GLU 174 Cb 0.00 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 1iku h GLU 174 CO 0.00 0.00 -0.10 0.78 -0.73 0.00 0.00 179.01 178.96 1iku h GLY 175 N 0.00 0.53 0.35 1.92 0.00 0.43 0.50 103.07 106.80 1iku h GLY 175 Ca 0.03 -0.36 -0.29 0.00 0.00 0.00 0.00 47.33 46.71 1iku h GLY 175 CO -0.00 0.33 -1.56 -0.91 0.00 0.00 0.00 176.54 174.40 1iku h THR 176 N 0.46 0.84 0.00 4.70 1.35 -0.04 -3.05 112.91 117.17 1iku h THR 176 Ca 0.09 -2.29 -0.02 0.00 -0.55 0.00 0.00 66.41 63.64 1iku h THR 176 Cb 0.45 2.45 -0.00 0.00 -1.73 0.00 0.00 68.15 69.32 1iku h THR 176 CO 0.02 0.62 -0.10 -0.07 -0.25 0.00 0.00 175.52 175.75 1iku h LEU 177 N -0.45 0.00 0.00 3.87 -0.00 -1.37 -3.14 115.31 114.22 1iku h LEU 177 Ca -0.36 0.00 -0.09 0.00 -0.00 0.00 0.00 57.88 57.42 1iku h LEU 177 Cb 1.67 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 42.32 1iku h LEU 177 CO -0.04 0.10 -0.55 0.00 -0.00 0.00 0.00 178.44 177.95 1iku h ALA 178 N 1.90 0.11 -2.54 1.53 0.00 -1.03 -3.46 119.26 115.76 1iku h ALA 178 Ca -0.00 -0.74 -0.53 0.00 0.00 0.00 0.00 54.91 53.64 1iku h ALA 178 Cb 0.33 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 1iku h ALA 178 CO 0.01 0.32 0.02 -0.80 0.00 0.00 0.00 179.25 178.81 1iku s ASN 179 N -6.37 6.93 -0.09 0.00 0.01 -1.15 -4.99 114.94 109.28 1iku s ASN 179 Ca -0.21 1.25 0.02 0.00 -0.71 0.00 0.00 52.86 53.21 1iku s ASN 179 Cb 0.01 -2.35 -0.25 0.00 0.41 0.00 0.00 41.25 39.07 1iku s ASN 179 CO 0.54 0.04 0.49 2.29 -1.51 0.00 0.00 177.10 178.96 1iku n LYS 180 N 0.66 0.71 0.31 -0.60 2.85 -1.26 -3.79 118.16 117.04 1iku n LYS 180 Ca -0.03 0.28 -0.13 0.00 -1.05 0.00 0.00 58.31 57.37 1iku n LYS 180 Cb 0.52 -1.74 -0.07 0.00 -0.65 0.00 0.00 35.03 33.09 1iku n LYS 180 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 1iku h GLU 181 N 0.04 -0.81 -0.86 -1.58 3.07 -1.94 -2.28 114.58 110.22 1iku h GLU 181 Ca -0.37 0.05 0.22 0.00 -0.50 0.00 0.00 59.36 58.76 1iku h GLU 181 Cb 2.03 0.18 -0.15 0.00 -0.84 0.00 0.00 28.75 29.97 1iku h GLU 181 CO 0.08 -0.54 0.03 0.82 -1.40 0.00 0.00 179.01 178.01 1iku h ILE 182 N -0.84 0.21 -0.97 3.13 2.04 -1.91 0.86 117.51 120.04 1iku h ILE 182 Ca -0.08 -0.03 0.15 0.00 1.00 0.00 0.00 64.86 65.90 1iku h ILE 182 Cb 0.66 0.12 -0.09 0.00 -0.74 0.00 0.00 36.82 36.77 1iku h ILE 182 CO 0.10 0.01 0.59 0.25 0.00 0.00 0.00 178.15 179.11 1iku h LEU 183 N 0.08 0.80 -0.17 1.44 5.85 -1.59 1.23 115.31 122.95 1iku h LEU 183 Ca 0.50 0.07 0.00 0.00 0.84 0.00 0.00 57.88 59.29 1iku h LEU 183 Cb 0.95 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.90 1iku h LEU 183 CO -0.77 0.37 0.00 0.54 -0.34 0.00 0.00 178.44 178.24 1iku n ARG 184 N -4.72 0.14 -0.00 1.25 5.12 0.29 -2.01 116.66 116.72 1iku n ARG 184 Ca 0.20 0.22 0.07 0.00 -1.93 0.00 0.00 57.85 56.42 1iku n ARG 184 Cb 0.44 -1.70 -0.10 0.00 -1.16 0.00 0.00 32.46 29.95 1iku n ARG 184 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1iku n LEU 185 N -1.95 0.49 -0.11 0.55 4.77 0.21 -4.59 117.00 116.37 1iku n LEU 185 Ca 0.05 -0.34 -0.25 0.00 -0.03 0.00 0.00 56.01 55.44 1iku n LEU 185 Cb 0.32 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.29 1iku n LEU 185 CO 0.24 0.12 -1.02 0.00 -1.33 0.00 0.00 177.39 175.41 1iku n ILE 186 N -1.58 1.56 -2.95 -0.08 0.00 0.37 -4.68 119.36 112.00 1iku n ILE 186 Ca 0.01 -0.30 -0.44 0.00 0.00 0.00 0.00 62.75 62.02 1iku n ILE 186 Cb 0.29 -1.87 -0.02 0.00 0.00 0.00 0.00 39.64 38.04 1iku n ILE 186 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 176.55 174.97 1iku s GLN 187 N -2.46 3.79 -0.44 9.51 2.00 -0.85 -4.96 119.66 126.24 1iku s GLN 187 Ca -0.33 -2.10 -0.41 0.00 -2.00 0.00 0.00 55.36 50.52 1iku s GLN 187 Cb 0.10 -4.96 -0.16 0.00 0.80 0.00 0.00 33.01 28.79 1iku s GLN 187 CO 0.57 -1.75 2.13 0.34 -0.50 0.00 0.00 175.29 176.08 1iku n PHE 188 N 6.10 1.34 -1.51 1.67 7.35 -1.26 -4.86 117.46 126.29 1iku n PHE 188 Ca 0.29 0.61 0.00 0.00 -0.76 0.00 0.00 57.45 57.59 1iku n PHE 188 Cb 0.47 -2.37 0.00 0.00 0.35 0.00 0.00 39.48 37.92 1iku n PHE 188 CO 0.00 0.00 0.00 -0.85 -0.76 0.00 0.00 176.76 175.15