#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 -0.35 0.58 1.61 -0.87 -1.26 -4.98 114.94 109.67 1iku s ASN 3 Ca 0.00 0.66 0.33 0.00 -1.57 0.00 0.00 52.86 52.28 1iku s ASN 3 Cb 0.00 0.55 1.32 0.00 -0.02 0.00 0.00 41.25 43.10 1iku s ASN 3 CO 0.00 -0.18 1.60 -1.28 -2.57 0.00 0.00 177.10 174.67 1iku h SER 4 N 7.19 0.00 0.03 -1.22 0.87 -2.00 0.34 113.55 118.76 1iku h SER 4 Ca -0.39 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.17 1iku h SER 4 Cb 1.17 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 1iku h SER 4 CO 0.34 0.00 -0.01 0.50 -0.53 0.00 0.00 176.83 177.13 1iku h LYS 5 N 0.00 -0.03 0.00 2.24 3.64 -1.99 -1.59 116.57 118.84 1iku h LYS 5 Ca 0.50 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.88 1iku h LYS 5 Cb 2.45 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 34.28 1iku h LYS 5 CO -0.01 0.12 0.00 0.45 -2.27 0.00 0.00 179.45 177.75 1iku n SER 6 N -5.03 0.25 0.08 4.20 2.88 0.12 -0.76 113.62 115.36 1iku n SER 6 Ca -0.08 0.62 -0.09 0.00 -1.33 0.00 0.00 58.87 57.99 1iku n SER 6 Cb 0.11 -0.65 -0.01 0.00 -0.75 0.00 0.00 64.21 62.91 1iku n SER 6 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1iku h GLY 7 N 0.00 0.23 0.19 0.46 0.00 -1.21 -3.16 103.07 99.58 1iku h GLY 7 Ca 0.00 -0.40 -0.00 0.00 0.00 0.00 0.00 47.33 46.92 1iku h GLY 7 CO 0.00 0.36 -0.04 0.00 0.00 0.00 0.00 176.54 176.86 1iku h ALA 8 N 0.97 -0.11 -1.22 3.60 0.00 -0.94 -2.78 119.26 118.78 1iku h ALA 8 Ca -0.04 -0.26 0.40 0.00 0.00 0.00 0.00 54.91 55.00 1iku h ALA 8 Cb 1.50 0.04 -0.13 0.00 0.00 0.00 0.00 17.79 19.20 1iku h ALA 8 CO 0.13 -0.16 0.76 -0.07 0.00 0.00 0.00 179.25 179.92 1iku h LEU 9 N -0.91 0.31 0.01 0.00 3.38 -1.62 0.32 115.31 116.79 1iku h LEU 9 Ca -0.01 0.15 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 1iku h LEU 9 Cb 0.56 0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1iku h LEU 9 CO 0.02 -0.17 -0.00 -1.28 0.09 0.00 0.00 178.44 177.09 1iku h SER 10 N 0.14 -0.01 -0.89 -0.43 0.87 -1.58 -2.70 113.55 108.96 1iku h SER 10 Ca 0.79 -0.63 0.23 0.00 -1.23 0.00 0.00 61.79 60.95 1iku h SER 10 Cb 2.31 0.00 -0.16 0.00 -0.44 0.00 0.00 62.40 64.11 1iku h SER 10 CO -0.47 0.63 0.06 0.50 -0.53 0.00 0.00 176.83 177.03 1iku h LYS 11 N -0.66 0.08 -0.24 2.24 3.64 -0.09 0.56 116.57 122.11 1iku h LYS 11 Ca -0.00 -0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.32 1iku h LYS 11 Cb 0.64 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.43 1iku h LYS 11 CO 0.00 0.05 -0.05 1.49 -2.27 0.00 0.00 179.45 178.68 1iku h GLU 12 N 0.08 0.45 0.46 1.90 4.57 -1.46 -2.48 114.58 118.11 1iku h GLU 12 Ca 0.53 -0.17 -0.02 0.00 -1.18 0.00 0.00 59.36 58.52 1iku h GLU 12 Cb 1.03 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.60 1iku h GLU 12 CO -0.78 0.67 -0.22 0.82 -1.18 0.00 0.00 179.01 178.32 1iku h ILE 13 N 0.20 0.00 -1.36 2.32 2.04 -0.17 -2.65 117.51 117.89 1iku h ILE 13 Ca 0.06 -0.10 0.43 0.00 1.00 0.00 0.00 64.86 66.25 1iku h ILE 13 Cb 0.50 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.47 1iku h ILE 13 CO 0.02 0.00 0.90 -0.07 0.00 0.00 0.00 178.15 179.00 1iku h LEU 14 N -0.72 0.22 0.48 1.44 3.38 -0.17 0.18 115.31 120.12 1iku h LEU 14 Ca -0.06 0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1iku h LEU 14 Cb 0.47 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1iku h LEU 14 CO 0.10 -0.12 -0.23 -0.08 0.09 0.00 0.00 178.44 178.20 1iku h GLU 15 N 0.10 -0.62 -0.95 1.13 4.57 -1.21 -2.84 114.58 114.76 1iku h GLU 15 Ca 0.79 0.04 0.18 0.00 -1.18 0.00 0.00 59.36 59.20 1iku h GLU 15 Cb 2.58 0.14 -0.08 0.00 -0.16 0.00 0.00 28.75 31.23 1iku h GLU 15 CO -0.33 -0.35 0.61 1.49 -1.18 0.00 0.00 179.01 179.25 1iku h GLU 16 N -0.79 0.62 0.00 1.92 4.81 -0.31 -2.84 114.58 117.99 1iku h GLU 16 Ca -0.07 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1iku h GLU 16 Cb 0.56 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.80 1iku h GLU 16 CO 0.11 0.41 0.00 -0.11 -0.73 0.00 0.00 179.01 178.69 1iku n LEU 17 N -4.62 0.00 0.00 1.64 0.00 -0.88 -4.86 117.00 108.28 1iku n LEU 17 Ca 0.21 0.96 0.00 0.00 0.00 0.00 0.00 56.01 57.17 1iku n LEU 17 Cb 0.59 -0.46 0.00 0.00 0.00 0.00 0.00 43.42 43.55 1iku n LEU 17 CO 0.27 -0.46 0.00 0.00 0.00 0.00 0.00 177.39 177.20 1iku n GLN 18 N -2.67 0.00 -1.78 1.96 6.02 -1.07 -5.14 117.38 114.71 1iku n GLN 18 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.70 1iku n GLN 18 Cb 0.00 0.00 0.10 0.00 1.02 0.00 0.00 30.24 31.36 1iku n GLN 18 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1iku s LEU 19 N 0.00 2.41 -0.29 1.08 1.43 -1.26 -5.06 118.68 116.99 1iku s LEU 19 Ca 0.00 0.90 0.02 0.00 -1.03 0.00 0.00 54.13 54.01 1iku s LEU 19 Cb 0.00 -3.38 0.18 0.00 0.03 0.00 0.00 46.19 43.02 1iku s LEU 19 CO 0.00 -2.04 0.52 0.21 0.23 0.00 0.00 176.35 175.27 1iku s ASN 20 N -4.36 -0.87 -0.07 2.29 2.47 -1.26 -4.42 114.94 108.71 1iku s ASN 20 Ca 0.62 0.28 0.18 0.00 0.42 0.00 0.00 52.86 54.37 1iku s ASN 20 Cb -0.12 1.75 -0.23 0.00 -1.45 0.00 0.00 41.25 41.19 1iku s ASN 20 CO 0.51 -0.30 0.44 1.07 -3.72 0.00 0.00 177.10 175.10 1iku n THR 21 N 5.40 1.01 0.00 -5.21 5.66 -1.26 -4.93 114.28 114.95 1iku n THR 21 Ca 0.01 -0.72 0.00 0.00 -3.05 0.00 0.00 64.05 60.29 1iku n THR 21 Cb 0.52 -0.47 0.00 0.00 -1.55 0.00 0.00 70.33 68.82 1iku n THR 21 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 1iku n LYS 22 N -2.69 0.00 -0.90 1.09 4.81 -1.26 -4.91 118.16 114.30 1iku n LYS 22 Ca -0.18 0.00 -0.34 0.00 -0.87 0.00 0.00 58.31 56.92 1iku n LYS 22 Cb 0.91 -2.46 0.09 0.00 0.02 0.00 0.00 35.03 33.59 1iku n LYS 22 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 1iku n PHE 23 N -1.26 -2.59 -2.97 5.64 3.01 -1.26 -4.92 117.46 113.11 1iku n PHE 23 Ca 0.00 0.16 -0.34 0.00 1.01 0.00 0.00 57.45 58.28 1iku n PHE 23 Cb 0.00 -1.68 -0.06 0.00 -0.01 0.00 0.00 39.48 37.72 1iku n PHE 23 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 1iku s THR 24 N -2.24 4.48 0.46 4.37 2.01 -1.26 -4.93 115.64 118.54 1iku s THR 24 Ca 0.52 1.34 0.18 0.00 0.31 0.00 0.00 61.69 64.03 1iku s THR 24 Cb -0.22 -3.73 0.35 0.00 0.01 0.00 0.00 72.50 68.92 1iku s THR 24 CO 0.72 -0.09 1.98 1.05 -0.69 0.00 0.00 174.62 177.58 1iku h GLU 25 N 2.53 0.27 -0.80 4.92 4.11 -1.91 -0.08 114.58 123.62 1iku h GLU 25 Ca -0.48 -0.02 -0.00 0.00 0.07 0.00 0.00 59.36 58.93 1iku h GLU 25 Cb 1.18 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 30.33 1iku h GLU 25 CO 0.64 0.18 0.49 0.93 0.07 0.00 0.00 179.01 181.32 1iku h GLU 26 N 0.28 1.09 -0.03 1.06 5.08 -1.91 -1.18 114.58 118.96 1iku h GLU 26 Ca 0.28 -0.10 0.01 0.00 -1.00 0.00 0.00 59.36 58.55 1iku h GLU 26 Cb 0.73 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 1iku h GLU 26 CO -0.06 0.76 -0.01 0.93 -1.00 0.00 0.00 179.01 179.63 1iku h GLU 27 N 1.10 -0.00 -0.80 2.33 4.39 -1.39 -1.80 114.58 118.41 1iku h GLU 27 Ca 0.29 0.00 0.05 0.00 0.34 0.00 0.00 59.36 60.04 1iku h GLU 27 Cb -0.05 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.55 1iku h GLU 27 CO -0.05 -0.00 0.53 -0.07 -1.16 0.00 0.00 179.01 178.25 1iku h LEU 28 N -0.00 0.80 0.02 1.33 3.38 -1.29 0.78 115.31 120.33 1iku h LEU 28 Ca 0.02 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.99 1iku h LEU 28 Cb 0.03 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1iku h LEU 28 CO -0.04 0.53 -0.05 -1.28 0.09 0.00 0.00 178.44 177.69 1iku h SER 29 N 0.91 -0.13 -0.04 -0.43 0.87 -0.43 0.37 113.55 114.66 1iku h SER 29 Ca 0.34 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.91 1iku h SER 29 Cb 0.17 0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 62.18 1iku h SER 29 CO -0.11 -0.07 0.01 -1.28 -0.53 0.00 0.00 176.83 174.84 1iku h SER 30 N -0.10 0.07 0.40 6.23 0.87 -0.66 -2.88 113.55 117.48 1iku h SER 30 Ca 0.01 -0.27 -0.01 0.00 -1.23 0.00 0.00 61.79 60.29 1iku h SER 30 Cb 0.11 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.04 1iku h SER 30 CO -0.04 0.32 -0.32 -0.25 -0.53 0.00 0.00 176.83 176.02 1iku h TRP 31 N -0.19 -0.84 -0.22 2.24 7.01 -0.74 -0.10 115.95 123.11 1iku h TRP 31 Ca 0.01 -0.00 0.02 0.00 2.11 0.00 0.00 58.89 61.03 1iku h TRP 31 Cb 0.28 0.32 -0.03 0.00 -2.10 0.00 0.00 29.16 27.63 1iku h TRP 31 CO 0.02 -0.46 -0.14 -0.92 -2.79 0.00 0.00 178.44 174.15 1iku h TYR 32 N -0.71 -0.43 -0.96 2.65 3.20 -0.27 1.42 116.97 121.86 1iku h TYR 32 Ca -0.04 0.03 0.11 0.00 3.14 0.00 0.00 58.73 61.97 1iku h TYR 32 Cb 0.62 0.22 -0.08 0.00 1.54 0.00 0.00 36.73 39.03 1iku h TYR 32 CO -0.15 -0.09 0.61 1.96 -1.64 0.00 0.00 178.16 178.85 1iku h GLN 33 N -0.01 0.92 0.00 1.82 1.08 -1.46 0.24 115.11 117.70 1iku h GLN 33 Ca 0.04 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 57.17 1iku h GLN 33 Cb 0.10 -0.21 -0.00 0.00 -0.05 0.00 0.00 27.48 27.32 1iku h GLN 33 CO -0.21 0.61 -0.06 0.77 -0.95 0.00 0.00 178.83 178.99 1iku h SER 34 N 0.95 0.00 0.00 1.46 0.02 0.14 -0.65 113.55 115.47 1iku h SER 34 Ca 0.46 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.35 1iku h SER 34 Cb 0.46 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.99 1iku h SER 34 CO -0.22 0.06 -0.37 0.15 -1.14 0.00 0.00 176.83 175.30 1iku h PHE 35 N 0.00 0.00 0.00 3.45 3.57 0.50 -2.47 116.94 121.99 1iku h PHE 35 Ca -0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1iku h PHE 35 Cb 0.52 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.26 1iku h PHE 35 CO 0.00 0.92 0.00 -0.07 -2.23 0.00 0.00 178.31 176.93 1iku h LEU 36 N -1.00 0.00 0.22 0.59 3.38 -1.11 -1.88 115.31 115.51 1iku h LEU 36 Ca -0.09 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.53 1iku h LEU 36 Cb 0.90 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.68 1iku h LEU 36 CO -0.06 0.00 -1.62 0.50 0.09 0.00 0.00 178.44 177.35 1iku h LYS 37 N 0.00 0.48 0.00 1.13 3.11 -1.17 -3.22 116.57 116.89 1iku h LYS 37 Ca 0.00 -0.81 0.00 0.00 -2.81 0.00 0.00 60.65 57.03 1iku h LYS 37 Cb 0.26 0.30 0.00 0.00 -1.00 0.00 0.00 32.23 31.80 1iku h LYS 37 CO 0.00 1.39 0.00 0.93 -2.81 0.00 0.00 179.45 178.96 1iku h GLU 38 N 0.13 0.00 -3.12 1.90 4.39 -0.87 -3.33 114.58 113.68 1iku h GLU 38 Ca -0.30 0.00 -0.62 0.00 0.34 0.00 0.00 59.36 58.77 1iku h GLU 38 Cb 2.14 0.00 -0.42 0.00 -0.10 0.00 0.00 28.75 30.37 1iku h GLU 38 CO 0.23 0.00 -0.58 0.00 -1.16 0.00 0.00 179.01 177.50 1iku n PRO 40 N 2.14 0.08 0.04 0.00 -0.02 -1.25 -1.12 135.00 134.87 1iku n PRO 40 Ca 0.18 0.23 0.11 0.00 -2.02 0.00 0.00 63.50 62.00 1iku n PRO 40 Cb 0.35 -1.50 0.02 0.00 -0.02 0.00 0.00 33.50 32.35 1iku n PRO 40 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1iku n SER 41 N -1.28 0.61 0.00 2.55 3.41 -1.26 -4.91 113.62 112.74 1iku n SER 41 Ca 0.03 -0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.54 1iku n SER 41 Cb 0.05 0.76 0.00 0.00 -0.26 0.00 0.00 64.21 64.75 1iku n SER 41 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1iku n GLY 42 N 1.34 0.47 3.91 5.00 0.00 -0.27 -4.90 105.19 110.73 1iku n GLY 42 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 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 3.54 0.03 1.61 0.52 -1.26 -3.06 118.95 120.32 1iku s ARG 43 Ca 0.00 -0.26 -0.10 0.00 -0.52 0.00 0.00 55.73 54.85 1iku s ARG 43 Cb 0.00 -2.92 0.01 0.00 0.52 0.00 0.00 34.95 32.56 1iku s ARG 43 CO 0.00 0.51 0.21 0.96 0.02 0.00 0.00 175.30 177.00 1iku s ILE 44 N -1.63 0.10 0.44 1.52 -4.36 -0.69 -4.90 121.20 111.67 1iku s ILE 44 Ca 0.38 -0.81 0.08 0.00 -0.26 0.00 0.00 60.65 60.04 1iku s ILE 44 Cb -0.12 -0.83 0.00 0.00 1.25 0.00 0.00 42.46 42.76 1iku s ILE 44 CO 0.26 -0.45 0.48 0.42 0.24 0.00 0.00 174.94 175.90 1iku s THR 45 N -2.31 2.65 0.12 8.37 -4.23 -1.26 -1.29 115.64 117.69 1iku s THR 45 Ca -0.07 -1.21 -0.28 0.00 -1.18 0.00 0.00 61.69 58.94 1iku s THR 45 Cb -0.02 -2.86 -0.08 0.00 1.34 0.00 0.00 72.50 70.88 1iku s THR 45 CO -0.02 0.00 1.61 0.08 -0.54 0.00 0.00 174.62 175.75 1iku h ARG 46 N 0.81 -0.52 -1.02 3.99 0.11 -1.99 0.21 114.38 115.97 1iku h ARG 46 Ca -0.40 0.04 0.30 0.00 0.10 0.00 0.00 59.98 60.02 1iku h ARG 46 Cb 1.28 0.12 -0.04 0.00 1.11 0.00 0.00 29.97 32.43 1iku h ARG 46 CO 0.52 -0.35 0.94 0.37 0.10 0.00 0.00 179.97 181.55 1iku h GLN 47 N -0.54 0.00 0.10 0.08 5.75 -1.97 0.26 115.11 118.79 1iku h GLN 47 Ca 0.04 0.00 -0.35 0.00 -0.15 0.00 0.00 58.65 58.19 1iku h GLN 47 Cb 0.59 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.12 1iku h GLN 47 CO -0.23 0.00 -1.91 0.39 -2.65 0.00 0.00 178.83 174.43 1iku n GLU 48 N -3.69 0.73 0.01 1.69 1.02 0.19 -3.83 120.64 116.76 1iku n GLU 48 Ca 0.22 0.31 -0.12 0.00 -0.02 0.00 0.00 57.16 57.54 1iku n GLU 48 Cb 1.27 -1.71 -0.08 0.00 -0.02 0.00 0.00 31.44 30.91 1iku n GLU 48 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1iku h PHE 49 N -0.09 0.04 -0.23 -0.32 3.04 0.23 -2.40 116.94 117.20 1iku h PHE 49 Ca -0.42 -0.00 0.07 0.00 3.98 0.00 0.00 57.97 61.59 1iku h PHE 49 Cb 1.92 -0.01 -0.01 0.00 2.56 0.00 0.00 35.95 40.41 1iku h PHE 49 CO 0.08 0.23 0.24 -0.56 -2.02 0.00 0.00 178.31 176.28 1iku h GLN 50 N -0.17 0.00 -0.05 1.11 3.07 -1.07 0.31 115.11 118.30 1iku h GLN 50 Ca 0.01 0.00 -0.17 0.00 0.09 0.00 0.00 58.65 58.58 1iku h GLN 50 Cb 0.21 0.00 0.01 0.00 0.08 0.00 0.00 27.48 27.79 1iku h GLN 50 CO -0.00 0.00 -0.63 1.15 0.09 0.00 0.00 178.83 179.44 1iku h THR 51 N 0.00 1.37 -0.22 1.86 2.02 -1.54 -2.16 112.91 114.24 1iku h THR 51 Ca 0.11 -1.99 -0.17 0.00 0.77 0.00 0.00 66.41 65.13 1iku h THR 51 Cb 0.59 2.36 -0.00 0.00 -1.74 0.00 0.00 68.15 69.36 1iku h THR 51 CO -0.00 0.59 -0.54 0.40 0.37 0.00 0.00 175.52 176.34 1iku h ILE 52 N 0.09 1.30 -0.23 3.11 2.04 -0.87 -1.33 117.51 121.63 1iku h ILE 52 Ca -0.06 -1.77 -0.09 0.00 1.00 0.00 0.00 64.86 63.94 1iku h ILE 52 Cb 1.30 1.71 -0.01 0.00 -0.74 0.00 0.00 36.82 39.08 1iku h ILE 52 CO 0.13 0.56 -0.23 0.22 0.00 0.00 0.00 178.15 178.82 1iku h TYR 53 N 0.51 0.46 0.00 1.37 5.03 -1.04 -1.94 116.97 121.36 1iku h TYR 53 Ca 0.01 -0.09 -0.10 0.00 2.58 0.00 0.00 58.73 61.13 1iku h TYR 53 Cb 1.11 -0.12 -0.01 0.00 1.55 0.00 0.00 36.73 39.26 1iku h TYR 53 CO 0.05 0.62 -0.55 1.03 -1.32 0.00 0.00 178.16 178.00 1iku h SER 54 N 0.37 0.00 -0.04 -2.11 0.87 -1.27 -1.47 113.55 109.90 1iku h SER 54 Ca 0.06 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.57 1iku h SER 54 Cb 0.62 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.58 1iku h SER 54 CO 0.04 0.47 -0.17 0.50 -0.53 0.00 0.00 176.83 177.14 1iku h LYS 55 N 0.00 0.19 0.00 2.24 3.64 -0.82 0.60 116.57 122.41 1iku h LYS 55 Ca -0.02 -0.15 -0.07 0.00 -1.27 0.00 0.00 60.65 59.15 1iku h LYS 55 Cb 1.37 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.21 1iku h LYS 55 CO 0.06 0.78 -0.35 0.74 -2.27 0.00 0.00 179.45 178.42 1iku h PHE 56 N -0.37 0.00 -2.03 1.91 0.04 -1.47 -3.37 116.94 111.66 1iku h PHE 56 Ca -0.01 0.00 -0.53 0.00 2.80 0.00 0.00 57.97 60.23 1iku h PHE 56 Cb 0.81 0.00 -0.40 0.00 2.20 0.00 0.00 35.95 38.56 1iku h PHE 56 CO 0.14 0.32 -1.08 1.19 -0.60 0.00 0.00 178.31 178.27 1iku n PHE 57 N -3.17 0.47 -0.28 -0.55 3.72 -0.55 -4.35 117.46 112.74 1iku n PHE 57 Ca 0.02 -3.75 -0.06 0.00 -0.05 0.00 0.00 57.45 53.62 1iku n PHE 57 Cb 0.66 -0.41 0.06 0.00 -0.94 0.00 0.00 39.48 38.86 1iku n PHE 57 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1iku h PRO 58 N 3.48 1.16 0.00 -1.08 0.13 -1.04 -1.82 132.00 132.83 1iku h PRO 58 Ca 0.10 -0.21 -0.01 0.00 -0.87 0.00 0.00 66.00 65.01 1iku h PRO 58 Cb 0.88 -0.19 -0.00 0.00 0.13 0.00 0.00 31.00 31.82 1iku h PRO 58 CO 0.53 0.94 -0.03 1.49 -0.23 0.00 0.00 178.00 180.70 1iku h GLU 59 N 1.12 0.00 -5.24 0.86 4.81 -1.92 -3.40 114.58 110.81 1iku h GLU 59 Ca 0.26 0.00 -0.61 0.00 -0.13 0.00 0.00 59.36 58.88 1iku h GLU 59 Cb 0.22 0.00 -0.13 0.00 0.63 0.00 0.00 28.75 29.48 1iku h GLU 59 CO -0.02 0.03 -0.41 0.00 -0.73 0.00 0.00 179.01 177.88 1iku s ALA 60 N -4.04 3.61 0.35 2.92 0.00 -0.68 -5.04 121.76 118.88 1iku s ALA 60 Ca -0.03 -0.72 -0.24 0.00 0.00 0.00 0.00 51.96 50.97 1iku s ALA 60 Cb 0.12 -2.38 -0.14 0.00 0.00 0.00 0.00 23.12 20.72 1iku s ALA 60 CO 0.50 -0.13 0.56 -3.47 0.00 0.00 0.00 175.76 173.22 1iku n ASP 61 N 4.13 -0.84 0.00 0.00 2.03 -1.26 -4.65 116.55 115.96 1iku n ASP 61 Ca -0.13 0.98 0.00 0.00 0.52 0.00 0.00 54.79 56.16 1iku n ASP 61 Cb 0.52 -1.08 0.00 0.00 -0.72 0.00 0.00 41.12 39.84 1iku n ASP 61 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 1iku n PRO 62 N 0.79 0.00 -2.76 -0.67 -0.01 -1.26 -2.12 135.00 128.97 1iku n PRO 62 Ca 0.12 0.00 -0.09 0.00 -0.01 0.00 0.00 63.50 63.52 1iku n PRO 62 Cb 0.36 -1.23 0.09 0.00 -0.01 0.00 0.00 33.50 32.70 1iku n PRO 62 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 175.50 176.66 1iku n LYS 63 N -0.66 1.08 0.00 -0.52 4.81 -1.26 -4.86 118.16 116.75 1iku n LYS 63 Ca 0.00 -2.10 0.00 0.00 -0.87 0.00 0.00 58.31 55.34 1iku n LYS 63 Cb 0.00 -0.79 0.00 0.00 0.02 0.00 0.00 35.03 34.26 1iku n LYS 63 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1iku n ALA 64 N 0.02 0.00 0.02 3.14 0.00 -0.90 -4.54 120.51 118.24 1iku n ALA 64 Ca 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.48 1iku n ALA 64 Cb 0.75 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.20 1iku n ALA 64 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1iku h TYR 65 N 0.00 -0.07 0.00 0.00 3.20 -1.97 -3.22 116.97 114.90 1iku h TYR 65 Ca 0.00 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1iku h TYR 65 Cb 0.00 0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.29 1iku h TYR 65 CO 0.00 -0.04 0.28 0.00 -1.64 0.00 0.00 178.16 176.75 1iku n ALA 66 N -2.25 0.43 -0.36 1.82 0.00 -1.26 -2.07 120.51 116.83 1iku n ALA 66 Ca -0.01 0.00 0.28 0.00 0.00 0.00 0.00 53.44 53.71 1iku n ALA 66 Cb 0.03 -0.42 0.53 0.00 0.00 0.00 0.00 19.45 19.59 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 0.23 0.10 0.00 -0.00 -1.79 0.58 115.11 114.24 1iku h GLN 67 Ca 0.00 -0.01 -0.26 0.00 -0.00 0.00 0.00 58.65 58.37 1iku h GLN 67 Cb 0.55 -0.05 -0.00 0.00 0.00 0.00 0.00 27.48 27.98 1iku h GLN 67 CO 0.00 0.15 -1.22 1.25 0.00 0.00 0.00 178.83 179.02 1iku h HIS 68 N 0.24 0.40 -0.33 3.99 2.76 -1.68 -3.11 115.15 117.42 1iku h HIS 68 Ca 0.75 -0.29 -0.13 0.00 -2.20 0.00 0.00 60.37 58.50 1iku h HIS 68 Cb 1.92 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 30.86 1iku h HIS 68 CO -0.01 1.23 -0.33 0.28 -1.30 0.00 0.00 177.93 177.80 1iku h VAL 69 N 0.06 1.28 0.29 5.26 2.07 -0.17 -1.30 116.25 123.73 1iku h VAL 69 Ca -0.12 -1.48 -0.01 0.00 0.82 0.00 0.00 66.70 65.91 1iku h VAL 69 Cb 1.94 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 33.10 1iku h VAL 69 CO 0.19 0.48 -0.14 0.15 0.02 0.00 0.00 177.57 178.27 1iku h PHE 70 N 0.61 -0.36 -0.62 1.57 3.57 -0.86 -2.79 116.94 118.06 1iku h PHE 70 Ca 0.06 -0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.67 1iku h PHE 70 Cb 0.86 0.12 -0.09 0.00 2.79 0.00 0.00 35.95 39.63 1iku h PHE 70 CO 0.04 -0.22 0.15 -0.09 -2.23 0.00 0.00 178.31 175.96 1iku h ARG 71 N -0.60 0.27 -0.40 1.11 2.43 -1.64 -1.91 114.38 113.63 1iku h ARG 71 Ca -0.04 -0.02 0.09 0.00 -0.81 0.00 0.00 59.98 59.20 1iku h ARG 71 Cb 0.30 -0.06 -0.09 0.00 -0.42 0.00 0.00 29.97 29.70 1iku h ARG 71 CO 0.06 0.18 -0.20 0.66 -1.51 0.00 0.00 179.97 179.16 1iku h SER 72 N 0.28 -0.69 -0.99 -3.80 4.64 -1.31 0.19 113.55 111.87 1iku h SER 72 Ca 0.33 0.16 0.29 0.00 -0.47 0.00 0.00 61.79 62.09 1iku h SER 72 Cb 0.49 0.37 -0.04 0.00 -0.31 0.00 0.00 62.40 62.91 1iku h SER 72 CO -0.40 -0.23 1.10 -0.26 -0.87 0.00 0.00 176.83 176.16 1iku h PHE 73 N -0.13 0.00 -2.68 4.77 -1.00 -1.05 -3.43 116.94 113.43 1iku h PHE 73 Ca 0.20 0.00 -0.10 0.00 2.81 0.00 0.00 57.97 60.88 1iku h PHE 73 Cb 0.43 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.96 1iku h PHE 73 CO -0.44 0.00 -0.10 -3.47 -1.61 0.00 0.00 178.31 172.69 1iku n ASP 74 N -3.38 -1.57 -0.59 2.17 2.03 0.68 -4.56 116.55 111.34 1iku n ASP 74 Ca 0.22 0.21 0.01 0.00 0.52 0.00 0.00 54.79 55.74 1iku n ASP 74 Cb 1.40 -1.65 -0.00 0.00 -0.72 0.00 0.00 41.12 40.15 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 -1.08 -0.19 0.08 -1.67 0.00 -1.26 -4.12 120.51 112.26 1iku n ALA 75 Ca -0.05 0.02 -0.13 0.00 0.00 0.00 0.00 53.44 53.28 1iku n ALA 75 Cb 0.29 -0.06 -0.13 0.00 0.00 0.00 0.00 19.45 19.54 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 -0.05 0.26 0.00 0.00 -0.00 -1.76 -3.46 115.58 110.57 1iku h ASN 76 Ca 0.00 -0.30 0.00 0.00 -0.00 0.00 0.00 56.30 56.01 1iku h ASN 76 Cb 0.05 -0.08 0.00 0.00 -0.00 0.00 0.00 38.32 38.28 1iku h ASN 76 CO 0.00 1.24 0.00 -1.20 -0.00 0.00 0.00 177.43 177.47 1iku n SER 77 N -3.43 0.00 0.00 1.15 7.64 -1.26 -5.05 113.62 112.67 1iku n SER 77 Ca -0.07 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.81 1iku n SER 77 Cb 1.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.20 1iku n SER 77 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1iku n ASP 78 N 0.00 0.00 0.00 6.43 9.92 -1.26 -5.03 116.55 126.61 1iku n ASP 78 Ca 0.00 0.02 0.00 0.00 -0.53 0.00 0.00 54.79 54.28 1iku n ASP 78 Cb 0.00 -0.15 0.00 0.00 -0.64 0.00 0.00 41.12 40.33 1iku n ASP 78 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1iku n GLY 79 N 2.22 0.51 3.96 0.44 0.00 -1.26 -5.01 105.19 106.05 1iku n GLY 79 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 2.48 0.05 2.61 -4.23 -1.26 -4.43 115.64 110.87 1iku s THR 80 Ca 0.00 -0.51 -0.23 0.00 -1.18 0.00 0.00 61.69 59.77 1iku s THR 80 Cb 0.00 -2.97 0.05 0.00 1.34 0.00 0.00 72.50 70.92 1iku s THR 80 CO 0.00 0.00 0.53 -1.48 -0.54 0.00 0.00 174.62 173.13 1iku s LEU 81 N -4.97 -0.14 0.61 4.79 2.34 -0.41 -2.78 118.68 118.12 1iku s LEU 81 Ca 0.59 0.18 -0.15 0.00 0.06 0.00 0.00 54.13 54.81 1iku s LEU 81 Cb -0.10 2.19 -0.03 0.00 -0.56 0.00 0.00 46.19 47.69 1iku s LEU 81 CO 0.41 -0.74 1.07 -0.62 -1.06 0.00 0.00 176.35 175.41 1iku s ASP 82 N -2.01 5.63 -0.21 1.48 2.15 -1.26 -1.71 116.67 120.74 1iku s ASP 82 Ca -0.05 1.84 -0.21 0.00 0.43 0.00 0.00 52.55 54.56 1iku s ASP 82 Cb -0.01 -2.53 -0.18 0.00 -0.30 0.00 0.00 42.92 39.90 1iku s ASP 82 CO -0.02 -1.27 0.18 0.33 -0.17 0.00 0.00 175.17 174.22 1iku n PHE 83 N -2.17 0.98 -0.00 -5.34 7.35 -1.17 -3.79 117.46 113.33 1iku n PHE 83 Ca 0.09 0.43 -0.10 0.00 -0.76 0.00 0.00 57.45 57.11 1iku n PHE 83 Cb 0.53 -1.09 -0.03 0.00 0.35 0.00 0.00 39.48 39.24 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 -0.33 -0.87 -4.13 1.57 -1.94 -0.78 116.57 109.09 1iku h LYS 84 Ca -0.35 0.02 0.17 0.00 -1.87 0.00 0.00 60.65 58.62 1iku h LYS 84 Cb 1.29 0.08 -0.10 0.00 0.08 0.00 0.00 32.23 33.57 1iku h LYS 84 CO -0.21 -0.22 0.44 0.93 -0.57 0.00 0.00 179.45 179.81 1iku h GLU 85 N -0.35 0.56 0.10 3.15 5.08 -1.98 -0.37 114.58 120.77 1iku h GLU 85 Ca 0.10 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1iku h GLU 85 Cb 0.50 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1iku h GLU 85 CO -0.33 0.37 -0.05 -0.92 -1.00 0.00 0.00 179.01 177.08 1iku h TYR 86 N 0.57 -0.12 -0.54 4.33 3.20 -1.32 -2.25 116.97 120.84 1iku h TYR 86 Ca 0.50 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.44 1iku h TYR 86 Cb 0.78 0.04 -0.06 0.00 1.54 0.00 0.00 36.73 39.02 1iku h TYR 86 CO -0.10 0.04 0.19 0.28 -1.64 0.00 0.00 178.16 176.93 1iku h VAL 87 N -0.27 0.79 0.52 1.81 2.07 -0.01 0.26 116.25 121.43 1iku h VAL 87 Ca -0.01 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 1iku h VAL 87 Cb 0.22 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 1iku h VAL 87 CO 0.02 0.07 -0.39 0.40 0.02 0.00 0.00 177.57 177.69 1iku h ILE 88 N 0.36 0.00 -0.72 4.57 2.04 -0.96 0.33 117.51 123.14 1iku h ILE 88 Ca 0.27 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.27 1iku h ILE 88 Cb 0.31 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.35 1iku h ILE 88 CO -0.28 0.00 0.48 0.00 0.00 0.00 0.00 178.15 178.35 1iku h ALA 89 N -1.25 2.10 -0.43 1.87 0.00 -1.18 0.12 119.26 120.50 1iku h ALA 89 Ca -0.07 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 1iku h ALA 89 Cb 0.72 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1iku h ALA 89 CO 0.03 -0.28 -0.14 1.25 0.00 0.00 0.00 179.25 180.10 1iku h LEU 90 N 0.41 0.79 0.35 0.00 7.12 0.21 -3.29 115.31 120.90 1iku h LEU 90 Ca 0.35 -0.25 -0.02 0.00 0.13 0.00 0.00 57.88 58.09 1iku h LEU 90 Cb 0.78 -0.22 0.00 0.00 -0.53 0.00 0.00 40.66 40.70 1iku h LEU 90 CO -0.11 0.95 -0.17 0.45 -0.13 0.00 0.00 178.44 179.43 1iku h HIS 91 N 0.71 -0.44 -0.55 1.25 3.86 0.22 -3.46 115.15 116.74 1iku h HIS 91 Ca 0.11 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.31 1iku h HIS 91 Cb 0.64 0.14 0.00 0.00 1.06 0.00 0.00 27.41 29.25 1iku h HIS 91 CO 0.03 -0.27 0.00 -1.33 0.86 0.00 0.00 177.93 177.22 1iku n MET 92 N -4.40 -0.56 -4.20 2.45 2.81 -0.41 -4.16 117.12 108.65 1iku n MET 92 Ca -0.06 0.00 -0.37 0.00 -1.81 0.00 0.00 57.70 55.46 1iku n MET 92 Cb 0.19 0.00 -0.05 0.00 -0.71 0.00 0.00 33.22 32.64 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 -2.12 -1.60 -0.98 2.03 5.66 -1.26 -4.79 114.28 111.22 1iku n THR 93 Ca 0.00 -0.52 0.00 0.00 -3.05 0.00 0.00 64.05 60.48 1iku n THR 93 Cb 0.00 -1.45 0.00 0.00 -1.55 0.00 0.00 70.33 67.33 1iku n THR 93 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1iku n SER 94 N -2.50 0.03 -1.08 1.09 7.64 -1.26 -5.06 113.62 112.48 1iku n SER 94 Ca -0.24 -1.01 0.14 0.00 1.01 0.00 0.00 58.87 58.77 1iku n SER 94 Cb 0.63 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.79 1iku n SER 94 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1iku n ALA 95 N -0.01 -2.79 0.00 -0.43 0.00 -1.26 -4.93 120.51 111.09 1iku n ALA 95 Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.86 1iku n ALA 95 Cb 0.44 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.88 1iku n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iku n GLY 96 N -3.60 0.76 3.58 0.00 0.00 -1.26 -4.95 105.19 99.72 1iku n GLY 96 Ca -0.01 -2.08 -0.53 0.00 0.00 0.00 0.00 46.02 43.40 1iku n GLY 96 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1iku n LYS 97 N 0.73 0.98 -0.04 1.61 4.01 -1.26 -4.88 118.16 119.30 1iku n LYS 97 Ca 0.00 0.35 -0.13 0.00 -0.51 0.00 0.00 58.31 58.02 1iku n LYS 97 Cb 0.00 -1.98 -0.11 0.00 -0.51 0.00 0.00 35.03 32.43 1iku n LYS 97 CO 0.00 0.00 0.00 1.15 -1.11 0.00 0.00 177.40 177.44 1iku h THR 98 N 3.36 1.56 -0.08 -0.18 2.02 -2.02 -3.21 112.91 114.37 1iku h THR 98 Ca -0.48 -1.86 0.02 0.00 0.77 0.00 0.00 66.41 64.86 1iku h THR 98 Cb 1.35 2.80 -0.00 0.00 -1.74 0.00 0.00 68.15 70.55 1iku h THR 98 CO 0.77 0.47 0.92 -1.13 0.37 0.00 0.00 175.52 176.92 1iku h ASN 99 N -0.83 0.00 0.10 4.18 -1.24 -2.00 0.96 115.58 116.74 1iku h ASN 99 Ca -0.00 0.00 -0.27 0.00 0.71 0.00 0.00 56.30 56.74 1iku h ASN 99 Cb 0.78 0.00 0.03 0.00 0.73 0.00 0.00 38.32 39.86 1iku h ASN 99 CO 0.00 0.00 -1.12 1.56 -1.29 0.00 0.00 177.43 176.59 1iku h GLN 100 N 0.00 0.59 0.00 6.67 4.20 -1.93 -3.09 115.11 121.54 1iku h GLN 100 Ca 0.04 -0.76 -0.12 0.00 0.06 0.00 0.00 58.65 57.87 1iku h GLN 100 Cb 1.87 0.25 -0.02 0.00 0.30 0.00 0.00 27.48 29.88 1iku h GLN 100 CO -0.00 1.33 -0.56 0.87 -0.67 0.00 0.00 178.83 179.80 1iku h LYS 101 N 0.19 0.00 0.24 1.46 1.57 0.81 -3.06 116.57 117.78 1iku h LYS 101 Ca -0.17 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.60 1iku h LYS 101 Cb 1.80 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.12 1iku h LYS 101 CO 0.21 0.56 -0.11 -0.07 -0.57 0.00 0.00 179.45 179.47 1iku h LEU 102 N 0.00 -0.27 -0.97 2.94 3.38 -1.53 -1.78 115.31 117.09 1iku h LEU 102 Ca -0.01 0.01 0.31 0.00 0.09 0.00 0.00 57.88 58.29 1iku h LEU 102 Cb 1.01 0.07 -0.16 0.00 0.09 0.00 0.00 40.66 41.67 1iku h LEU 102 CO 0.07 -0.12 0.39 -0.33 0.09 0.00 0.00 178.44 178.54 1iku h GLU 103 N -0.47 0.16 -0.18 1.13 5.08 -1.65 0.59 114.58 119.25 1iku h GLU 103 Ca -0.03 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1iku h GLU 103 Cb 0.25 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1iku h GLU 103 CO 0.05 0.11 0.08 2.35 -1.00 0.00 0.00 179.01 180.61 1iku h TRP 104 N 0.17 0.26 0.08 4.33 7.01 -1.54 0.11 115.95 126.37 1iku h TRP 104 Ca 0.69 -0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.67 1iku h TRP 104 Cb 1.59 -0.08 0.00 0.00 -2.10 0.00 0.00 29.16 28.57 1iku h TRP 104 CO -0.15 0.29 -0.04 0.00 -2.79 0.00 0.00 178.44 175.75 1iku h ALA 105 N 0.95 -0.10 -0.99 2.65 0.00 0.96 0.25 119.26 122.97 1iku h ALA 105 Ca 0.06 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.98 1iku h ALA 105 Cb 0.13 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 1iku h ALA 105 CO -0.01 -0.54 0.65 0.35 0.00 0.00 0.00 179.25 179.70 1iku h PHE 106 N -0.13 1.21 -0.38 0.00 3.57 -0.64 -1.35 116.94 119.22 1iku h PHE 106 Ca -0.01 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.40 1iku h PHE 106 Cb 0.11 -0.40 -0.01 0.00 2.79 0.00 0.00 35.95 38.43 1iku h PHE 106 CO -0.06 0.67 -0.25 1.03 -2.23 0.00 0.00 178.31 177.47 1iku h SER 107 N 1.23 0.80 0.05 0.41 0.87 -0.37 0.49 113.55 117.03 1iku h SER 107 Ca 0.41 -0.30 -0.01 0.00 -1.23 0.00 0.00 61.79 60.66 1iku h SER 107 Cb 0.05 -0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 61.79 1iku h SER 107 CO -0.14 1.01 -0.04 0.25 -0.53 0.00 0.00 176.83 177.38 1iku h LEU 108 N 0.68 0.00 0.00 2.23 5.85 0.58 -2.29 115.31 122.36 1iku h LEU 108 Ca 0.09 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1iku h LEU 108 Cb 0.77 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.80 1iku h LEU 108 CO 0.06 0.04 -1.91 -1.22 -0.34 0.00 0.00 178.44 175.07 1iku n TYR 109 N -4.39 0.08 -1.53 1.25 4.01 -0.78 -4.62 117.16 111.17 1iku n TYR 109 Ca -0.03 0.02 -0.41 0.00 -0.16 0.00 0.00 57.90 57.32 1iku n TYR 109 Cb 0.12 -0.53 -0.04 0.00 -0.31 0.00 0.00 39.34 38.58 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 -2.29 3.15 0.00 7.72 -0.08 0.17 -4.58 116.55 120.64 1iku n ASP 110 Ca -0.04 -2.74 0.00 0.00 -1.51 0.00 0.00 54.79 50.50 1iku n ASP 110 Cb 0.57 -1.39 0.00 0.00 2.34 0.00 0.00 41.12 42.64 1iku n ASP 110 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 1iku n VAL 111 N 6.01 0.00 -3.47 5.18 0.24 -1.26 -4.90 118.33 120.13 1iku n VAL 111 Ca 0.50 0.00 -0.26 0.00 -2.04 0.00 0.00 64.34 62.53 1iku n VAL 111 Cb 0.41 -0.70 -0.09 0.00 -1.47 0.00 0.00 33.84 31.99 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 -0.73 1.42 -2.73 -1.34 5.68 -1.26 -4.86 116.55 112.72 1iku n ASP 112 Ca 0.00 -2.88 -0.08 0.00 -0.50 0.00 0.00 54.79 51.33 1iku n ASP 112 Cb 0.00 -0.65 0.07 0.00 -1.14 0.00 0.00 41.12 39.40 1iku n ASP 112 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1iku n GLY 113 N 1.83 -0.01 3.63 6.12 0.00 -1.26 -4.92 105.19 110.57 1iku n GLY 113 Ca 0.25 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.49 1iku n GLY 113 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1iku n ASN 114 N 1.11 0.00 0.00 1.61 4.13 -1.26 -1.16 115.26 119.69 1iku n ASN 114 Ca 0.06 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.32 1iku n ASN 114 Cb 0.67 -1.68 0.00 0.00 -1.54 0.00 0.00 39.78 37.23 1iku n ASN 114 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1iku n GLY 115 N -1.22 2.39 3.83 7.41 0.00 -1.26 -5.01 105.19 111.33 1iku n GLY 115 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.30 4.71 0.31 2.61 -4.23 -0.31 -4.59 115.64 111.84 1iku s THR 116 Ca 0.00 1.02 -0.00 0.00 -1.18 0.00 0.00 61.69 61.53 1iku s THR 116 Cb 0.00 -3.77 -0.04 0.00 1.34 0.00 0.00 72.50 70.03 1iku s THR 116 CO 0.00 0.16 0.52 -0.51 -0.54 0.00 0.00 174.62 174.25 1iku s ILE 117 N -1.57 5.11 0.41 2.99 2.07 -0.76 -4.84 121.20 124.62 1iku s ILE 117 Ca 0.42 -0.38 0.07 0.00 -1.41 0.00 0.00 60.65 59.36 1iku s ILE 117 Cb -0.15 -3.82 -0.05 0.00 0.13 0.00 0.00 42.46 38.57 1iku s ILE 117 CO 0.20 -0.45 0.22 -0.55 -1.91 0.00 0.00 174.94 172.45 1iku s SER 118 N -3.75 4.55 0.06 4.50 0.15 -1.26 -2.63 113.70 115.33 1iku s SER 118 Ca 0.40 -1.01 -0.38 0.00 0.70 0.00 0.00 55.95 55.66 1iku s SER 118 Cb -0.10 -0.50 -0.21 0.00 -1.71 0.00 0.00 66.02 63.51 1iku s SER 118 CO 0.34 -0.57 1.57 0.50 1.20 0.00 0.00 173.24 176.28 1iku h LYS 119 N 1.34 -1.30 -1.26 5.44 3.64 -1.88 -2.39 116.57 120.17 1iku h LYS 119 Ca -0.42 0.09 0.44 0.00 -1.27 0.00 0.00 60.65 59.48 1iku h LYS 119 Cb 1.26 0.30 -0.14 0.00 -0.41 0.00 0.00 32.23 33.23 1iku h LYS 119 CO 0.67 -0.87 0.78 -2.95 -2.27 0.00 0.00 179.45 174.82 1iku h ASN 120 N -1.35 0.26 -0.40 4.20 -1.07 -1.97 1.30 115.58 116.56 1iku h ASN 120 Ca -0.14 0.17 -0.05 0.00 0.07 0.00 0.00 56.30 56.36 1iku h ASN 120 Cb 1.04 0.16 -0.02 0.00 -2.07 0.00 0.00 38.32 37.44 1iku h ASN 120 CO 0.22 -0.25 0.06 -0.33 0.07 0.00 0.00 177.43 177.19 1iku h GLU 121 N 0.06 0.66 -0.71 4.14 3.07 -1.85 -1.93 114.58 118.03 1iku h GLU 121 Ca 0.84 -0.18 -0.01 0.00 -0.50 0.00 0.00 59.36 59.51 1iku h GLU 121 Cb 2.53 -0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 30.33 1iku h GLU 121 CO -0.51 0.71 0.42 0.28 -1.40 0.00 0.00 179.01 178.51 1iku h VAL 122 N 0.51 1.20 -0.67 3.13 2.07 0.20 -2.27 116.25 120.42 1iku h VAL 122 Ca 0.12 -0.46 0.05 0.00 0.82 0.00 0.00 66.70 67.23 1iku h VAL 122 Cb 0.37 0.23 -0.05 0.00 -1.52 0.00 0.00 31.29 30.33 1iku h VAL 122 CO 0.01 0.21 0.39 0.25 0.02 0.00 0.00 177.57 178.46 1iku h LEU 123 N 0.96 0.61 -0.21 2.57 5.85 -0.94 -1.73 115.31 122.42 1iku h LEU 123 Ca 0.25 0.02 0.05 0.00 0.84 0.00 0.00 57.88 59.04 1iku h LEU 123 Cb -0.02 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 40.85 1iku h LEU 123 CO -0.05 0.41 -0.11 -0.33 -0.34 0.00 0.00 178.44 178.02 1iku h GLU 124 N 0.74 -0.09 -0.19 1.25 4.39 -0.77 0.42 114.58 120.34 1iku h GLU 124 Ca 0.29 0.01 0.04 0.00 0.34 0.00 0.00 59.36 60.04 1iku h GLU 124 Cb 0.12 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.75 1iku h GLU 124 CO -0.15 -0.06 -0.08 0.82 -1.16 0.00 0.00 179.01 178.38 1iku h ILE 125 N -0.09 0.73 -0.71 3.13 2.04 -1.15 -0.83 117.51 120.63 1iku h ILE 125 Ca 0.12 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.98 1iku h ILE 125 Cb 0.27 0.73 -0.04 0.00 -0.74 0.00 0.00 36.82 37.04 1iku h ILE 125 CO -0.27 0.00 0.47 0.58 0.00 0.00 0.00 178.15 178.93 1iku h VAL 126 N -0.05 1.19 -0.30 1.67 2.07 -0.64 -1.54 116.25 118.64 1iku h VAL 126 Ca 0.10 -0.35 -0.05 0.00 0.82 0.00 0.00 66.70 67.22 1iku h VAL 126 Cb 0.20 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.10 1iku h VAL 126 CO -0.23 0.18 -0.04 0.74 0.02 0.00 0.00 177.57 178.25 1iku h THR 127 N 0.97 1.20 0.51 2.57 2.02 0.94 0.26 112.91 121.38 1iku h THR 127 Ca 0.26 -0.81 -0.02 0.00 0.77 0.00 0.00 66.41 66.60 1iku h THR 127 Cb -0.10 1.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.32 1iku h THR 127 CO -0.06 0.27 -0.24 0.00 0.37 0.00 0.00 175.52 175.86 1iku h ALA 128 N 1.51 -0.68 -0.08 6.16 0.00 -0.15 -1.28 119.26 124.74 1iku h ALA 128 Ca 0.10 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.69 1iku h ALA 128 Cb 0.36 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1iku h ALA 128 CO 0.01 -0.80 -0.54 0.82 0.00 0.00 0.00 179.25 178.74 1iku h ILE 129 N -0.84 1.36 -0.71 0.00 2.04 -1.36 -2.79 117.51 115.22 1iku h ILE 129 Ca -0.07 -1.83 -0.05 0.00 1.00 0.00 0.00 64.86 63.90 1iku h ILE 129 Cb 0.59 1.90 -0.03 0.00 -0.74 0.00 0.00 36.82 38.54 1iku h ILE 129 CO 0.11 0.54 0.23 0.15 0.00 0.00 0.00 178.15 179.19 1iku h PHE 130 N 0.18 1.12 -0.30 1.37 3.57 -0.44 -1.52 116.94 120.93 1iku h PHE 130 Ca 0.00 -0.11 -0.04 0.00 3.53 0.00 0.00 57.97 61.36 1iku h PHE 130 Cb 1.01 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 39.41 1iku h PHE 130 CO 0.02 0.89 0.02 0.87 -2.23 0.00 0.00 178.31 177.88 1iku h LYS 131 N 1.03 0.44 -0.80 1.11 6.56 -1.10 -2.20 116.57 121.62 1iku h LYS 131 Ca 0.23 -0.08 0.02 0.00 -1.06 0.00 0.00 60.65 59.76 1iku h LYS 131 Cb 0.28 -0.07 -0.05 0.00 -0.57 0.00 0.00 32.23 31.82 1iku h LYS 131 CO -0.01 0.46 0.52 1.98 -2.06 0.00 0.00 179.45 180.33 1iku h MET 132 N 0.43 1.00 -6.51 3.15 4.05 -1.02 -3.42 114.93 112.61 1iku h MET 132 Ca 0.10 -0.06 -0.59 0.00 -0.28 0.00 0.00 59.70 58.86 1iku h MET 132 Cb 0.25 -0.22 0.07 0.00 -0.80 0.00 0.00 31.60 30.89 1iku h MET 132 CO 0.00 0.66 0.68 -0.89 0.23 0.00 0.00 176.91 177.60 1iku n ILE 133 N -4.57 0.36 -1.50 1.77 5.41 -0.83 -4.86 119.36 115.15 1iku n ILE 133 Ca 0.09 -0.09 -0.41 0.00 1.00 0.00 0.00 62.75 63.34 1iku n ILE 133 Cb 0.06 -1.42 0.02 0.00 -0.71 0.00 0.00 39.64 37.59 1iku n ILE 133 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1iku n SER 134 N 2.84 -0.33 0.05 4.38 2.88 -1.26 -4.81 113.62 117.36 1iku n SER 134 Ca 0.15 0.91 -0.11 0.00 -1.33 0.00 0.00 58.87 58.49 1iku n SER 134 Cb 0.29 -1.19 -0.05 0.00 -0.75 0.00 0.00 64.21 62.50 1iku n SER 134 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1iku h PRO 135 N 0.87 -0.15 -0.52 -1.46 0.13 -1.89 -2.34 132.00 126.64 1iku h PRO 135 Ca -0.42 0.01 -0.10 0.00 -0.87 0.00 0.00 66.00 64.61 1iku h PRO 135 Cb 1.38 0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.53 1iku h PRO 135 CO 0.52 -0.10 -0.09 0.93 -0.23 0.00 0.00 178.00 179.03 1iku h GLU 136 N -0.15 0.95 0.00 0.86 4.39 -2.02 -2.09 114.58 116.51 1iku h GLU 136 Ca 0.04 -0.33 0.00 0.00 0.34 0.00 0.00 59.36 59.41 1iku h GLU 136 Cb 0.20 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 1iku h GLU 136 CO -0.10 1.00 0.00 -3.47 -1.16 0.00 0.00 179.01 175.28 1iku n ASP 137 N -4.15 0.00 0.02 1.42 2.03 -1.04 -1.84 116.55 112.99 1iku n ASP 137 Ca 0.02 -0.04 -0.04 0.00 0.52 0.00 0.00 54.79 55.25 1iku n ASP 137 Cb 0.38 -0.18 -0.10 0.00 -0.72 0.00 0.00 41.12 40.50 1iku n ASP 137 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 1iku h THR 138 N 0.00 0.76 0.00 5.18 2.02 -0.84 -3.32 112.91 116.71 1iku h THR 138 Ca 0.00 -2.41 -0.04 0.00 0.77 0.00 0.00 66.41 64.73 1iku h THR 138 Cb 0.06 2.28 -0.01 0.00 -1.74 0.00 0.00 68.15 68.75 1iku h THR 138 CO 0.00 0.43 -0.18 0.50 0.37 0.00 0.00 175.52 176.65 1iku h LYS 139 N 0.00 0.00 0.00 6.66 3.64 -1.45 -2.65 116.57 122.78 1iku h LYS 139 Ca -0.19 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.18 1iku h LYS 139 Cb 1.76 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.58 1iku h LYS 139 CO 0.07 0.18 -0.04 0.45 -2.27 0.00 0.00 179.45 177.84 1iku h HIS 140 N 0.00 0.00 -4.05 1.91 3.86 -1.66 -3.45 115.15 111.76 1iku h HIS 140 Ca -0.00 0.00 -0.56 0.00 -1.16 0.00 0.00 60.37 58.65 1iku h HIS 140 Cb 0.68 0.00 0.16 0.00 1.06 0.00 0.00 27.41 29.31 1iku h HIS 140 CO 0.00 0.04 0.50 1.28 0.86 0.00 0.00 177.93 180.61 1iku n LEU 141 N -3.13 5.79 0.00 2.43 4.77 -1.00 -4.98 117.00 120.88 1iku n LEU 141 Ca 0.02 0.86 -0.11 0.00 -0.03 0.00 0.00 56.01 56.74 1iku n LEU 141 Cb 0.40 -1.55 0.11 0.00 -2.33 0.00 0.00 43.42 40.05 1iku n LEU 141 CO 0.30 -0.98 0.13 -2.65 -1.33 0.00 0.00 177.39 172.86 1iku n PRO 142 N -1.67 -2.83 0.04 3.23 -0.01 -1.26 -4.90 135.00 127.60 1iku n PRO 142 Ca 0.15 -0.53 0.11 0.00 -0.01 0.00 0.00 63.50 63.22 1iku n PRO 142 Cb 0.47 -0.72 -0.03 0.00 -0.01 0.00 0.00 33.50 33.22 1iku n PRO 142 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 175.50 175.88 1iku n GLU 143 N -3.21 0.47 0.25 -0.52 1.02 -1.26 -3.89 120.64 113.49 1iku n GLU 143 Ca 0.05 -0.01 0.16 0.00 -0.02 0.00 0.00 57.16 57.35 1iku n GLU 143 Cb 0.22 -1.65 0.67 0.00 -0.02 0.00 0.00 31.44 30.66 1iku n GLU 143 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 1iku h ASP 144 N 0.00 0.00 -1.33 1.62 1.82 -2.00 -3.32 116.42 113.21 1iku h ASP 144 Ca 0.00 0.00 -0.42 0.00 -0.39 0.00 0.00 57.03 56.22 1iku h ASP 144 Cb 0.87 0.00 -0.31 0.00 0.68 0.00 0.00 39.33 40.57 1iku h ASP 144 CO 0.00 0.00 -0.93 -1.84 -1.61 0.00 0.00 179.24 174.86 1iku n GLU 145 N -2.92 0.89 0.00 0.28 0.28 -1.26 -4.62 120.64 113.29 1iku n GLU 145 Ca 0.01 -2.83 0.13 0.00 -0.16 0.00 0.00 57.16 54.31 1iku n GLU 145 Cb 0.28 -1.41 0.35 0.00 1.43 0.00 0.00 31.44 32.09 1iku n GLU 145 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 1iku n ASN 146 N 0.76 1.28 -3.82 -1.84 0.23 -1.25 -4.73 115.26 105.88 1iku n ASN 146 Ca 0.18 -1.10 -0.12 0.00 -0.53 0.00 0.00 54.58 53.01 1iku n ASN 146 Cb 0.63 0.15 -0.09 0.00 -2.08 0.00 0.00 39.78 38.39 1iku n ASN 146 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 1iku s THR 147 N -2.40 0.07 -0.69 5.53 -4.23 -1.26 -4.99 115.64 107.67 1iku s THR 147 Ca 0.26 -0.58 0.04 0.00 -1.18 0.00 0.00 61.69 60.23 1iku s THR 147 Cb 0.19 -0.50 0.04 0.00 1.34 0.00 0.00 72.50 73.57 1iku s THR 147 CO 0.49 -0.32 1.07 -2.65 -0.54 0.00 0.00 174.62 172.67 1iku n PRO 148 N 1.42 0.03 -0.07 3.99 -0.01 -1.26 -1.52 135.00 137.57 1iku n PRO 148 Ca -0.22 0.47 -0.11 0.00 -0.01 0.00 0.00 63.50 63.63 1iku n PRO 148 Cb 0.56 -1.67 -0.08 0.00 -0.01 0.00 0.00 33.50 32.30 1iku n PRO 148 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 175.50 176.42 1iku h GLU 149 N 0.00 0.00 0.00 -0.52 4.39 -1.96 -2.70 114.58 113.79 1iku h GLU 149 Ca 0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 1iku h GLU 149 Cb 0.16 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.80 1iku h GLU 149 CO 0.00 0.62 -0.09 0.87 -1.16 0.00 0.00 179.01 179.25 1iku h LYS 150 N -1.00 0.00 0.00 2.33 1.79 -1.69 -1.28 116.57 116.72 1iku h LYS 150 Ca -0.09 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.38 1iku h LYS 150 Cb 0.78 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.43 1iku h LYS 150 CO -0.05 0.09 -0.00 -0.09 -1.08 0.00 0.00 179.45 178.32 1iku h ARG 151 N 0.00 -0.00 0.00 3.15 2.43 -1.39 -2.86 114.38 115.71 1iku h ARG 151 Ca -0.00 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 1iku h ARG 151 Cb 0.43 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.97 1iku h ARG 151 CO 0.01 0.78 -0.17 0.00 -1.51 0.00 0.00 179.97 179.09 1iku h ALA 152 N 0.21 1.11 0.67 2.80 0.00 -1.31 -2.85 119.26 119.89 1iku h ALA 152 Ca -0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1iku h ALA 152 Cb 0.78 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.55 1iku h ALA 152 CO 0.00 0.21 -0.32 1.49 0.00 0.00 0.00 179.25 180.62 1iku h GLU 153 N 0.00 -0.87 -0.86 0.00 4.22 -1.25 0.13 114.58 115.95 1iku h GLU 153 Ca -0.00 0.06 0.20 0.00 0.08 0.00 0.00 59.36 59.70 1iku h GLU 153 Cb 0.56 0.20 -0.12 0.00 0.50 0.00 0.00 28.75 29.89 1iku h GLU 153 CO 0.02 -0.58 0.35 0.87 -2.18 0.00 0.00 179.01 177.49 1iku h LYS 154 N -1.21 0.38 -0.80 1.92 1.79 -1.47 1.06 116.57 118.24 1iku h LYS 154 Ca -0.09 -0.02 -0.03 0.00 -2.18 0.00 0.00 60.65 58.33 1iku h LYS 154 Cb 0.69 -0.09 -0.04 0.00 -1.58 0.00 0.00 32.23 31.22 1iku h LYS 154 CO 0.15 0.25 0.38 0.82 -1.08 0.00 0.00 179.45 179.98 1iku h ILE 155 N 0.39 1.25 0.00 1.86 2.04 -1.39 -1.22 117.51 120.44 1iku h ILE 155 Ca 0.53 -0.70 0.00 0.00 1.00 0.00 0.00 64.86 65.68 1iku h ILE 155 Cb 0.97 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 37.29 1iku h ILE 155 CO -0.52 0.30 0.00 -0.25 0.00 0.00 0.00 178.15 177.68 1iku h TRP 156 N 1.13 0.00 0.05 1.37 2.91 0.29 -0.84 115.95 120.86 1iku h TRP 156 Ca 0.27 0.00 -0.26 0.00 1.13 0.00 0.00 58.89 60.04 1iku h TRP 156 Cb 0.12 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 28.74 1iku h TRP 156 CO 0.01 0.00 -1.30 0.78 -1.03 0.00 0.00 178.44 176.91 1iku h GLY 157 N 3.54 0.12 0.71 2.65 0.00 0.19 -3.36 103.07 106.92 1iku h GLY 157 Ca 0.00 -0.30 -0.33 0.00 0.00 0.00 0.00 47.33 46.70 1iku h GLY 157 CO 0.00 0.26 -1.91 0.69 0.00 0.00 0.00 176.54 175.58 1iku n PHE 158 N -3.35 0.87 0.00 5.60 3.72 -0.57 -4.45 117.46 119.29 1iku n PHE 158 Ca -0.08 0.27 0.00 0.00 -0.05 0.00 0.00 57.45 57.59 1iku n PHE 158 Cb 1.00 -1.15 0.00 0.00 -0.94 0.00 0.00 39.48 38.39 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 -3.12 0.00 0.00 1.38 3.72 -0.33 -4.81 117.46 114.30 1iku n PHE 159 Ca -0.24 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.16 1iku n PHE 159 Cb 1.06 -0.35 0.00 0.00 -0.94 0.00 0.00 39.48 39.25 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 -0.92 0.43 0.00 1.37 0.00 -1.26 -5.00 105.19 99.82 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 0.58 0.00 0.00 0.00 173.32 173.90 1iku n LYS 161 N 0.00 0.00 0.00 1.61 2.85 -1.26 -4.98 118.16 116.38 1iku n LYS 161 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1iku n LYS 161 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1iku n LYS 161 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1iku n LYS 162 N 0.00 0.00 -0.13 -1.58 4.81 -1.26 -4.52 118.16 115.48 1iku n LYS 162 Ca 0.00 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.36 1iku n LYS 162 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1iku n LYS 162 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 1iku h ASP 163 N 0.00 0.48 0.00 3.14 5.19 -2.01 -1.74 116.42 121.48 1iku h ASP 163 Ca 0.00 -0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.38 1iku h ASP 163 Cb 0.00 -0.12 0.00 0.00 0.18 0.00 0.00 39.33 39.39 1iku h ASP 163 CO 0.00 0.36 0.00 0.47 -3.12 0.00 0.00 179.24 176.95 1iku n ASP 164 N -4.79 0.72 -4.84 6.45 8.00 -1.26 -4.74 116.55 116.09 1iku n ASP 164 Ca 0.01 -0.84 -0.22 0.00 0.71 0.00 0.00 54.79 54.45 1iku n ASP 164 Cb 0.03 -0.21 0.07 0.00 -0.02 0.00 0.00 41.12 41.00 1iku n ASP 164 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1iku s ASP 165 N -0.01 4.81 0.17 -2.24 2.15 -0.65 -5.13 116.67 115.77 1iku s ASP 165 Ca 0.00 -0.38 -0.07 0.00 0.43 0.00 0.00 52.55 52.53 1iku s ASP 165 Cb 0.00 -0.20 -0.02 0.00 -0.30 0.00 0.00 42.92 42.40 1iku s ASP 165 CO 0.00 -1.51 0.23 -0.54 -0.17 0.00 0.00 175.17 173.19 1iku s LYS 166 N -4.90 1.14 0.11 4.34 1.02 -1.26 -4.66 119.74 115.52 1iku s LYS 166 Ca 0.62 -1.28 0.07 0.00 0.02 0.00 0.00 55.97 55.40 1iku s LYS 166 Cb -0.07 0.34 -0.03 0.00 -0.52 0.00 0.00 37.83 37.55 1iku s LYS 166 CO 0.41 -0.40 -0.18 -0.51 -0.92 0.00 0.00 175.35 173.75 1iku s LEU 167 N -3.01 2.33 0.39 3.17 1.43 -1.08 -4.90 118.68 117.01 1iku s LEU 167 Ca 0.21 -0.71 0.08 0.00 -1.03 0.00 0.00 54.13 52.68 1iku s LEU 167 Cb 0.04 -0.74 -0.04 0.00 0.03 0.00 0.00 46.19 45.48 1iku s LEU 167 CO 0.02 -0.01 0.23 0.42 0.23 0.00 0.00 176.35 177.24 1iku s THR 168 N -1.43 2.63 0.48 5.49 -4.23 -1.26 -1.84 115.64 115.50 1iku s THR 168 Ca 0.06 -1.58 0.30 0.00 -1.18 0.00 0.00 61.69 59.29 1iku s THR 168 Cb -0.09 -3.00 0.50 0.00 1.34 0.00 0.00 72.50 71.25 1iku s THR 168 CO 0.04 -0.05 1.77 1.05 -0.54 0.00 0.00 174.62 176.88 1iku h GLU 169 N 1.34 0.14 0.00 3.99 4.11 -1.98 0.11 114.58 122.29 1iku h GLU 169 Ca -0.43 -0.01 -0.04 0.00 0.07 0.00 0.00 59.36 58.96 1iku h GLU 169 Cb 1.26 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 1iku h GLU 169 CO 0.64 0.09 -0.28 -0.22 0.07 0.00 0.00 179.01 179.31 1iku h LYS 170 N 0.14 0.00 -1.00 1.06 3.11 -1.98 -2.77 116.57 115.13 1iku h LYS 170 Ca 0.61 0.00 0.25 0.00 -2.81 0.00 0.00 60.65 58.70 1iku h LYS 170 Cb 2.09 0.00 -0.08 0.00 -1.00 0.00 0.00 32.23 33.24 1iku h LYS 170 CO -0.14 0.50 0.66 1.49 -2.81 0.00 0.00 179.45 179.15 1iku h GLU 171 N -1.00 0.35 0.15 1.90 4.57 -1.72 0.64 114.58 119.48 1iku h GLU 171 Ca -0.06 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.09 1iku h GLU 171 Cb 0.63 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.14 1iku h GLU 171 CO -0.03 0.23 -0.07 0.35 -1.18 0.00 0.00 179.01 178.31 1iku h PHE 172 N 0.36 -0.19 0.56 0.92 3.57 -1.13 -0.91 116.94 120.12 1iku h PHE 172 Ca 0.55 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 62.01 1iku h PHE 172 Cb 1.45 0.06 0.01 0.00 2.79 0.00 0.00 35.95 40.25 1iku h PHE 172 CO -0.00 0.17 -0.27 0.82 -2.23 0.00 0.00 178.31 176.80 1iku h ILE 173 N -0.96 0.40 -0.05 1.41 1.08 -1.10 -2.58 117.51 115.71 1iku h ILE 173 Ca -0.02 -0.21 0.02 0.00 -0.39 0.00 0.00 64.86 64.25 1iku h ILE 173 Cb 0.45 0.48 -0.00 0.00 -3.07 0.00 0.00 36.82 34.68 1iku h ILE 173 CO 0.03 0.03 0.04 -0.08 -0.69 0.00 0.00 178.15 177.49 1iku h GLU 174 N -0.89 0.00 -0.97 2.37 4.81 0.11 -1.38 114.58 118.63 1iku h GLU 174 Ca -0.08 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1iku h GLU 174 Cb 0.63 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.96 1iku h GLU 174 CO 0.13 0.00 0.60 0.78 -0.73 0.00 0.00 179.01 179.79 1iku h GLY 175 N 0.00 1.39 0.04 1.92 0.00 -0.77 0.14 103.07 105.79 1iku h GLY 175 Ca 0.02 -0.56 -0.00 0.00 0.00 0.00 0.00 47.33 46.80 1iku h GLY 175 CO -0.00 0.54 -0.01 -0.91 0.00 0.00 0.00 176.54 176.16 1iku h THR 176 N 1.32 1.00 -0.49 4.70 1.35 -1.03 -2.59 112.91 117.17 1iku h THR 176 Ca 0.35 -1.70 0.08 0.00 -0.55 0.00 0.00 66.41 64.59 1iku h THR 176 Cb -0.09 1.88 -0.03 0.00 -1.73 0.00 0.00 68.15 68.18 1iku h THR 176 CO -0.07 0.33 0.33 -0.07 -0.25 0.00 0.00 175.52 175.80 1iku h LEU 177 N -0.98 0.29 0.05 3.87 -0.00 -1.35 -3.20 115.31 113.99 1iku h LEU 177 Ca -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1iku h LEU 177 Cb 0.56 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 41.16 1iku h LEU 177 CO 0.00 0.19 -0.02 0.00 -0.00 0.00 0.00 178.44 178.61 1iku h ALA 178 N 1.74 -0.14 -2.53 1.53 0.00 -0.82 -3.46 119.26 115.59 1iku h ALA 178 Ca 0.22 -0.01 -0.47 0.00 0.00 0.00 0.00 54.91 54.65 1iku h ALA 178 Cb 0.45 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1iku h ALA 178 CO -0.05 -0.14 0.35 -0.80 0.00 0.00 0.00 179.25 178.61 1iku s ASN 179 N -3.79 7.42 0.02 0.00 -0.87 -0.98 -4.96 114.94 111.78 1iku s ASN 179 Ca -0.01 1.87 0.12 0.00 -1.57 0.00 0.00 52.86 53.27 1iku s ASN 179 Cb 0.00 -2.59 -0.20 0.00 -0.02 0.00 0.00 41.25 38.44 1iku s ASN 179 CO 0.03 -0.01 0.84 0.50 -2.57 0.00 0.00 177.10 175.89 1iku h LYS 180 N 3.42 0.00 0.81 -0.60 1.63 -1.87 -3.31 116.57 116.65 1iku h LYS 180 Ca -0.46 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.30 1iku h LYS 180 Cb 1.19 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.83 1iku h LYS 180 CO 0.66 0.58 -0.39 0.93 -3.45 0.00 0.00 179.45 177.77 1iku h GLU 181 N 0.00 -1.05 -0.84 1.90 4.39 -1.93 -2.14 114.58 114.91 1iku h GLU 181 Ca -0.20 0.07 0.21 0.00 0.34 0.00 0.00 59.36 59.78 1iku h GLU 181 Cb 1.89 0.24 -0.13 0.00 -0.10 0.00 0.00 28.75 30.64 1iku h GLU 181 CO 0.09 -0.70 0.20 0.82 -1.16 0.00 0.00 179.01 178.26 1iku h ILE 182 N -1.17 0.35 -1.00 3.13 2.04 -1.87 0.68 117.51 119.67 1iku h ILE 182 Ca -0.11 -0.07 0.09 0.00 1.00 0.00 0.00 64.86 65.77 1iku h ILE 182 Cb 0.83 0.12 -0.08 0.00 -0.74 0.00 0.00 36.82 36.96 1iku h ILE 182 CO 0.18 0.04 0.64 0.25 0.00 0.00 0.00 178.15 179.26 1iku h LEU 183 N 0.21 0.98 0.00 1.44 5.85 -1.61 1.22 115.31 123.40 1iku h LEU 183 Ca 0.51 0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.26 1iku h LEU 183 Cb 1.00 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.85 1iku h LEU 183 CO -0.63 0.57 0.00 0.54 -0.34 0.00 0.00 178.44 178.58 1iku n ARG 184 N -4.56 0.10 -0.00 1.25 5.12 0.22 -3.14 116.66 115.65 1iku n ARG 184 Ca 0.17 0.04 0.05 0.00 -1.93 0.00 0.00 57.85 56.18 1iku n ARG 184 Cb 0.27 -1.50 -0.06 0.00 -1.16 0.00 0.00 32.46 30.01 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 -1.45 0.36 -0.10 0.55 4.77 0.15 -4.26 117.00 117.03 1iku n LEU 185 Ca 0.08 -0.38 -0.18 0.00 -0.03 0.00 0.00 56.01 55.50 1iku n LEU 185 Cb 0.29 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.28 1iku n LEU 185 CO 0.24 0.09 -0.44 -0.29 -1.33 0.00 0.00 177.39 175.66 1iku h ILE 186 N 0.00 0.76 -0.62 -0.08 -0.00 0.13 -3.38 117.51 114.32 1iku h ILE 186 Ca 0.00 -1.94 -0.38 0.00 -0.00 0.00 0.00 64.86 62.54 1iku h ILE 186 Cb 0.30 1.80 -0.16 0.00 -0.00 0.00 0.00 36.82 38.77 1iku h ILE 186 CO 0.00 0.26 0.44 0.00 -0.00 0.00 0.00 178.15 178.85 1iku n GLN 187 N -4.48 1.97 -1.37 2.19 10.64 -1.20 -4.95 117.38 120.19 1iku n GLN 187 Ca -0.26 -1.83 0.17 0.00 -1.83 0.00 0.00 57.00 53.25 1iku n GLN 187 Cb 0.58 -1.76 -0.07 0.00 -0.86 0.00 0.00 30.24 28.14 1iku n GLN 187 CO 0.00 0.00 0.00 1.97 -1.83 0.00 0.00 177.06 177.20 1iku n PHE 188 N 0.36 -3.42 0.00 2.61 1.16 -1.26 -4.80 117.46 112.11 1iku n PHE 188 Ca 0.36 1.82 0.00 0.00 -1.87 0.00 0.00 57.45 57.75 1iku n PHE 188 Cb 0.58 -3.11 0.00 0.00 -1.61 0.00 0.00 39.48 35.34 1iku n PHE 188 CO 0.00 0.00 0.00 -1.91 -1.87 0.00 0.00 176.76 172.98