#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 -0.45 0.50 1.61 0.01 -1.26 -4.95 114.94 110.39 1iku s ASN 3 Ca 0.00 -0.04 0.24 0.00 -0.71 0.00 0.00 52.86 52.35 1iku s ASN 3 Cb 0.00 0.54 1.30 0.00 0.41 0.00 0.00 41.25 43.51 1iku s ASN 3 CO 0.00 -0.89 2.03 -1.28 -1.51 0.00 0.00 177.10 175.46 1iku h SER 4 N 2.26 0.00 0.18 -1.22 0.87 -2.00 -2.76 113.55 110.88 1iku h SER 4 Ca -0.33 0.00 -0.31 0.00 -1.23 0.00 0.00 61.79 59.92 1iku h SER 4 Cb 1.27 0.00 0.03 0.00 -0.44 0.00 0.00 62.40 63.27 1iku h SER 4 CO 0.41 0.15 -1.33 0.50 -0.53 0.00 0.00 176.83 176.03 1iku h LYS 5 N 0.00 0.58 -0.68 2.24 3.64 -1.96 -3.25 116.57 117.15 1iku h LYS 5 Ca -0.00 -0.87 0.17 0.00 -1.27 0.00 0.00 60.65 58.68 1iku h LYS 5 Cb 0.37 0.30 -0.04 0.00 -0.41 0.00 0.00 32.23 32.45 1iku h LYS 5 CO 0.02 1.40 0.48 0.66 -2.27 0.00 0.00 179.45 179.74 1iku h SER 6 N 0.20 0.14 0.65 4.20 4.64 -1.87 0.64 113.55 122.15 1iku h SER 6 Ca -0.22 0.01 -0.05 0.00 -0.47 0.00 0.00 61.79 61.06 1iku h SER 6 Cb 2.01 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 64.08 1iku h SER 6 CO 0.25 0.07 -0.24 1.23 -0.87 0.00 0.00 176.83 177.27 1iku h GLY 7 N 0.15 0.00 0.46 -0.77 0.00 -1.57 -2.93 103.07 98.41 1iku h GLY 7 Ca 0.33 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.64 1iku h GLY 7 CO -0.05 0.00 -0.22 0.00 0.00 0.00 0.00 176.54 176.27 1iku h ALA 8 N 1.76 -0.63 -0.97 3.60 0.00 0.18 -2.54 119.26 120.66 1iku h ALA 8 Ca -0.00 -0.14 0.30 0.00 0.00 0.00 0.00 54.91 55.07 1iku h ALA 8 Cb 0.63 0.24 -0.15 0.00 0.00 0.00 0.00 17.79 18.51 1iku h ALA 8 CO 0.03 -0.59 0.47 -0.07 0.00 0.00 0.00 179.25 179.10 1iku h LEU 9 N -1.15 0.36 -0.18 0.00 3.38 -1.47 0.44 115.31 116.70 1iku h LEU 9 Ca -0.06 0.19 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 1iku h LEU 9 Cb 0.48 0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 1iku h LEU 9 CO 0.10 -0.15 0.11 0.77 0.09 0.00 0.00 178.44 179.36 1iku h SER 10 N 0.29 0.21 0.03 -0.43 4.64 -1.50 0.16 113.55 116.94 1iku h SER 10 Ca 0.69 -0.04 0.03 0.00 -0.47 0.00 0.00 61.79 61.99 1iku h SER 10 Cb 1.52 -0.05 -0.04 0.00 -0.31 0.00 0.00 62.40 63.52 1iku h SER 10 CO -0.63 0.19 -0.29 0.50 -0.87 0.00 0.00 176.83 175.74 1iku h LYS 11 N 0.21 -0.43 0.78 4.77 3.64 0.30 0.15 116.57 125.99 1iku h LYS 11 Ca 0.06 0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.44 1iku h LYS 11 Cb 0.02 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1iku h LYS 11 CO -0.01 -0.29 -0.43 0.93 -2.27 0.00 0.00 179.45 177.38 1iku h GLU 12 N -0.45 -1.08 -0.66 1.90 5.08 -1.20 0.17 114.58 118.33 1iku h GLU 12 Ca 0.06 0.07 0.10 0.00 -1.00 0.00 0.00 59.36 58.59 1iku h GLU 12 Cb 0.52 0.25 -0.12 0.00 0.50 0.00 0.00 28.75 29.90 1iku h GLU 12 CO -0.23 -0.72 -0.43 0.82 -1.00 0.00 0.00 179.01 177.46 1iku h ILE 13 N -1.12 0.08 -0.03 3.13 2.04 -0.84 0.87 117.51 121.64 1iku h ILE 13 Ca -0.11 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.76 1iku h ILE 13 Cb 0.88 0.08 -0.00 0.00 -0.74 0.00 0.00 36.82 37.04 1iku h ILE 13 CO 0.14 0.00 0.02 -0.07 0.00 0.00 0.00 178.15 178.24 1iku h LEU 14 N -0.18 0.00 -0.08 1.44 3.38 -0.59 -2.38 115.31 116.91 1iku h LEU 14 Ca 0.21 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.13 1iku h LEU 14 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1iku h LEU 14 CO -0.74 0.00 -0.14 -0.08 0.09 0.00 0.00 178.44 177.57 1iku h GLU 15 N 0.00 0.23 -0.99 1.13 4.81 0.37 -3.16 114.58 116.97 1iku h GLU 15 Ca 0.01 -0.15 0.14 0.00 -0.13 0.00 0.00 59.36 59.24 1iku h GLU 15 Cb 0.06 0.02 -0.09 0.00 0.63 0.00 0.00 28.75 29.36 1iku h GLU 15 CO -0.00 0.73 0.62 1.49 -0.73 0.00 0.00 179.01 181.12 1iku h GLU 16 N -0.24 0.87 0.00 1.92 4.81 -0.25 -2.89 114.58 118.79 1iku h GLU 16 Ca 0.00 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1iku h GLU 16 Cb 0.72 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.90 1iku h GLU 16 CO 0.03 0.57 0.00 -0.11 -0.73 0.00 0.00 179.01 178.77 1iku n LEU 17 N -4.65 0.00 0.00 1.64 0.00 -1.06 -4.83 117.00 108.09 1iku n LEU 17 Ca 0.20 0.90 0.00 0.00 0.00 0.00 0.00 56.01 57.12 1iku n LEU 17 Cb 0.44 -0.40 0.00 0.00 0.00 0.00 0.00 43.42 43.45 1iku n LEU 17 CO 0.26 -0.40 0.00 1.67 0.00 0.00 0.00 177.39 178.91 1iku n GLN 18 N -2.43 0.00 0.00 1.96 7.27 -1.09 -5.15 117.38 117.94 1iku n GLN 18 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 1iku n GLN 18 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 1iku n GLN 18 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1iku n LEU 19 N 0.00 0.00 -3.65 1.69 4.77 -1.25 -4.97 117.00 113.60 1iku n LEU 19 Ca 0.00 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.94 1iku n LEU 19 Cb 0.00 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.02 1iku n LEU 19 CO 0.00 0.00 1.04 0.54 -1.33 0.00 0.00 177.39 177.64 1iku s ASN 20 N -1.00 -0.16 -0.15 -1.43 4.22 -1.26 -4.70 114.94 110.46 1iku s ASN 20 Ca 0.00 0.29 -0.04 0.00 -2.14 0.00 0.00 52.86 50.97 1iku s ASN 20 Cb 0.00 0.41 0.07 0.00 1.28 0.00 0.00 41.25 43.01 1iku s ASN 20 CO 0.00 -0.05 0.17 0.28 -2.04 0.00 0.00 177.10 175.46 1iku s THR 21 N 0.24 -0.26 -2.00 0.54 -1.32 -1.26 -4.27 115.64 107.31 1iku s THR 21 Ca 0.04 0.06 0.17 0.00 -1.21 0.00 0.00 61.69 60.75 1iku s THR 21 Cb -0.05 -0.51 0.49 0.00 -1.51 0.00 0.00 72.50 70.92 1iku s THR 21 CO -0.13 -0.08 1.43 0.29 -2.21 0.00 0.00 174.62 173.91 1iku n LYS 22 N 5.31 0.55 -2.10 7.08 4.76 -1.26 -4.66 118.16 127.84 1iku n LYS 22 Ca -0.05 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 54.98 1iku n LYS 22 Cb 0.50 -1.49 -0.03 0.00 -1.84 0.00 0.00 35.03 32.17 1iku n LYS 22 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1iku s PHE 23 N -2.00 1.86 0.40 2.13 0.40 -1.26 -4.93 117.98 114.58 1iku s PHE 23 Ca 0.26 0.68 -0.23 0.00 -0.60 0.00 0.00 56.93 57.04 1iku s PHE 23 Cb 0.12 -4.16 -0.13 0.00 0.51 0.00 0.00 43.02 39.36 1iku s PHE 23 CO 0.20 -2.44 0.60 -2.37 0.70 0.00 0.00 175.22 171.91 1iku n THR 24 N 7.21 1.82 -0.32 0.64 5.66 -1.26 -4.59 114.28 123.45 1iku n THR 24 Ca 0.20 -0.50 0.35 0.00 -3.05 0.00 0.00 64.05 61.05 1iku n THR 24 Cb 0.50 -0.57 0.71 0.00 -1.55 0.00 0.00 70.33 69.42 1iku n THR 24 CO 0.00 0.00 0.00 1.05 -3.05 0.00 0.00 175.07 173.07 1iku h GLU 25 N 0.92 0.00 0.13 1.09 9.09 -1.92 0.30 114.58 124.19 1iku h GLU 25 Ca -0.40 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.01 1iku h GLU 25 Cb 1.39 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.50 1iku h GLU 25 CO 0.53 0.00 -0.06 0.93 0.05 0.00 0.00 179.01 180.45 1iku h GLU 26 N 0.00 -0.17 -0.54 1.06 5.08 -1.87 -0.83 114.58 117.31 1iku h GLU 26 Ca 0.57 0.01 0.11 0.00 -1.00 0.00 0.00 59.36 59.05 1iku h GLU 26 Cb 2.49 0.04 -0.09 0.00 0.50 0.00 0.00 28.75 31.69 1iku h GLU 26 CO -0.01 0.12 -0.01 0.93 -1.00 0.00 0.00 179.01 179.04 1iku h GLU 27 N -0.47 0.10 -0.80 2.33 4.39 -0.70 0.13 114.58 119.56 1iku h GLU 27 Ca -0.02 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.65 1iku h GLU 27 Cb 0.37 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.96 1iku h GLU 27 CO 0.03 0.07 0.41 -0.07 -1.16 0.00 0.00 179.01 178.29 1iku h LEU 28 N 0.11 1.02 -0.57 1.33 3.38 -1.40 0.90 115.31 120.07 1iku h LEU 28 Ca 0.27 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 1iku h LEU 28 Cb 0.42 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 1iku h LEU 28 CO -0.46 0.84 0.35 -1.28 0.09 0.00 0.00 178.44 177.98 1iku h SER 29 N 1.13 0.68 -0.25 -0.43 0.87 0.67 0.23 113.55 116.44 1iku h SER 29 Ca 0.28 -0.05 -0.20 0.00 -1.23 0.00 0.00 61.79 60.59 1iku h SER 29 Cb 0.07 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 61.87 1iku h SER 29 CO -0.04 0.53 -0.62 0.28 -0.53 0.00 0.00 176.83 176.45 1iku h SER 30 N 0.76 0.98 -0.55 6.23 0.02 -0.59 -2.84 113.55 117.56 1iku h SER 30 Ca 0.20 -0.56 -0.08 0.00 -0.84 0.00 0.00 61.79 60.51 1iku h SER 30 Cb -0.03 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.21 1iku h SER 30 CO -0.04 1.36 0.03 -0.25 -1.14 0.00 0.00 176.83 176.80 1iku h TRP 31 N 0.64 1.02 0.95 3.45 7.01 -0.57 -1.72 115.95 126.73 1iku h TRP 31 Ca -0.01 -0.16 -0.05 0.00 2.11 0.00 0.00 58.89 60.78 1iku h TRP 31 Cb 1.24 -0.27 0.01 0.00 -2.10 0.00 0.00 29.16 28.04 1iku h TRP 31 CO 0.08 0.92 -0.46 -0.92 -2.79 0.00 0.00 178.44 175.27 1iku h TYR 32 N 0.83 -1.19 -0.20 2.65 3.20 -0.55 0.64 116.97 122.35 1iku h TYR 32 Ca 0.16 -0.03 0.04 0.00 3.14 0.00 0.00 58.73 62.04 1iku h TYR 32 Cb 0.49 0.40 -0.04 0.00 1.54 0.00 0.00 36.73 39.12 1iku h TYR 32 CO 0.04 -0.74 -0.04 1.96 -1.64 0.00 0.00 178.16 177.73 1iku h GLN 33 N -1.28 0.01 -0.10 1.82 4.20 -1.54 0.15 115.11 118.37 1iku h GLN 33 Ca -0.13 -0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.51 1iku h GLN 33 Cb 0.98 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.75 1iku h GLN 33 CO 0.21 0.01 -0.24 1.03 -0.67 0.00 0.00 178.83 179.17 1iku h SER 34 N 0.01 0.16 0.27 1.46 0.87 -1.28 0.25 113.55 115.29 1iku h SER 34 Ca 0.09 -0.04 -0.23 0.00 -1.23 0.00 0.00 61.79 60.38 1iku h SER 34 Cb 0.14 -0.04 0.01 0.00 -0.44 0.00 0.00 62.40 62.06 1iku h SER 34 CO -0.19 0.42 -0.96 0.15 -0.53 0.00 0.00 176.83 175.71 1iku h PHE 35 N 0.15 0.69 0.03 2.24 3.04 0.10 -2.69 116.94 120.51 1iku h PHE 35 Ca 0.03 -0.38 -0.24 0.00 3.98 0.00 0.00 57.97 61.35 1iku h PHE 35 Cb 0.52 -0.08 -0.03 0.00 2.56 0.00 0.00 35.95 38.92 1iku h PHE 35 CO 0.01 1.20 -1.22 -0.07 -2.02 0.00 0.00 178.31 176.20 1iku h LEU 36 N 0.26 0.10 -0.51 0.59 3.38 -0.52 -2.90 115.31 115.71 1iku h LEU 36 Ca -0.09 -0.12 -0.12 0.00 0.09 0.00 0.00 57.88 57.63 1iku h LEU 36 Cb 1.60 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 42.30 1iku h LEU 36 CO 0.17 1.10 -0.17 0.11 0.09 0.00 0.00 178.44 179.74 1iku h LYS 37 N 0.02 1.02 -0.10 1.13 1.79 -0.56 -3.16 116.57 116.70 1iku h LYS 37 Ca -0.10 -0.41 -0.03 0.00 -2.18 0.00 0.00 60.65 57.93 1iku h LYS 37 Cb 1.87 -0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 32.47 1iku h LYS 37 CO 0.13 1.09 -0.04 0.93 -1.08 0.00 0.00 179.45 180.49 1iku h GLU 38 N 0.89 0.20 -7.03 3.15 5.08 -1.56 -3.44 114.58 111.87 1iku h GLU 38 Ca 0.12 -0.08 -0.56 0.00 -1.00 0.00 0.00 59.36 57.84 1iku h GLU 38 Cb 0.74 -0.01 0.14 0.00 0.50 0.00 0.00 28.75 30.13 1iku h GLU 38 CO 0.06 0.54 0.56 0.00 -1.00 0.00 0.00 179.01 179.17 1iku h PRO 40 N 1.27 -0.90 -0.45 0.00 0.10 -1.85 -3.38 132.00 126.79 1iku h PRO 40 Ca -0.51 0.06 -0.25 0.00 0.10 0.00 0.00 66.00 65.41 1iku h PRO 40 Cb 1.31 0.20 -0.37 0.00 0.10 0.00 0.00 31.00 32.25 1iku h PRO 40 CO 0.56 -0.60 -1.03 -1.13 0.10 0.00 0.00 178.00 175.90 1iku n SER 41 N -5.26 1.18 -0.78 -2.05 3.41 -1.26 -4.94 113.62 103.93 1iku n SER 41 Ca -0.11 -2.14 -0.10 0.00 -0.26 0.00 0.00 58.87 56.26 1iku n SER 41 Cb 0.43 -0.34 -0.04 0.00 -0.26 0.00 0.00 64.21 63.99 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 -0.62 1.13 3.48 5.00 0.00 -1.26 -4.85 105.19 108.07 1iku n GLY 42 Ca 0.05 -0.35 -0.43 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.71 3.23 0.43 1.61 0.52 -1.26 -0.84 118.95 119.92 1iku s ARG 43 Ca 0.00 -0.58 0.07 0.00 -0.52 0.00 0.00 55.73 54.71 1iku s ARG 43 Cb 0.00 -4.09 -0.03 0.00 0.52 0.00 0.00 34.95 31.36 1iku s ARG 43 CO 0.00 -1.40 0.32 0.96 0.02 0.00 0.00 175.30 175.19 1iku s ILE 44 N 3.40 2.45 0.43 1.52 -4.36 -0.70 -4.79 121.20 119.15 1iku s ILE 44 Ca 0.23 -1.47 0.07 0.00 -0.26 0.00 0.00 60.65 59.23 1iku s ILE 44 Cb -0.16 -2.92 -0.03 0.00 1.25 0.00 0.00 42.46 40.60 1iku s ILE 44 CO 0.15 0.00 0.31 0.42 0.24 0.00 0.00 174.94 176.06 1iku s THR 45 N -2.54 2.43 0.01 8.37 -4.23 -1.26 -0.33 115.64 118.09 1iku s THR 45 Ca 0.45 -1.49 -0.21 0.00 -1.18 0.00 0.00 61.69 59.26 1iku s THR 45 Cb -0.01 -2.92 -0.12 0.00 1.34 0.00 0.00 72.50 70.79 1iku s THR 45 CO 0.26 0.00 1.00 0.08 -0.54 0.00 0.00 174.62 175.42 1iku h ARG 46 N 1.15 -0.74 -1.22 3.99 0.11 -1.99 -0.17 114.38 115.51 1iku h ARG 46 Ca -0.41 0.05 0.35 0.00 0.10 0.00 0.00 59.98 60.07 1iku h ARG 46 Cb 1.26 0.17 -0.05 0.00 1.11 0.00 0.00 29.97 32.46 1iku h ARG 46 CO 0.62 -0.49 1.25 0.37 0.10 0.00 0.00 179.97 181.81 1iku h GLN 47 N -1.03 0.00 0.00 0.08 -0.00 -1.99 0.22 115.11 112.40 1iku h GLN 47 Ca -0.08 0.00 -0.23 0.00 -0.00 0.00 0.00 58.65 58.35 1iku h GLN 47 Cb 0.59 0.00 -0.03 0.00 0.00 0.00 0.00 27.48 28.03 1iku h GLN 47 CO 0.13 0.00 -1.29 0.39 0.00 0.00 0.00 178.83 178.06 1iku n GLU 48 N -3.41 0.56 -0.13 1.69 -0.58 -1.11 -4.15 120.64 113.51 1iku n GLU 48 Ca 0.27 0.55 -0.10 0.00 -0.42 0.00 0.00 57.16 57.46 1iku n GLU 48 Cb 1.61 -1.72 -0.05 0.00 -0.57 0.00 0.00 31.44 30.71 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 -1.00 -1.27 -1.17 -0.32 3.04 0.13 0.20 116.94 116.56 1iku h PHE 49 Ca -0.34 0.07 0.37 0.00 3.98 0.00 0.00 57.97 62.04 1iku h PHE 49 Cb 1.25 0.61 -0.12 0.00 2.56 0.00 0.00 35.95 40.25 1iku h PHE 49 CO 0.05 -0.44 0.74 0.37 -2.02 0.00 0.00 178.31 177.00 1iku h GLN 50 N -0.33 0.21 -0.12 1.11 5.75 -1.60 1.23 115.11 121.35 1iku h GLN 50 Ca 0.14 -0.01 -0.12 0.00 -0.15 0.00 0.00 58.65 58.50 1iku h GLN 50 Cb 0.58 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.08 1iku h GLN 50 CO -0.58 0.14 -0.45 1.15 -2.65 0.00 0.00 178.83 176.44 1iku h THR 51 N 0.21 1.32 -0.35 2.39 2.02 -0.77 -2.61 112.91 115.12 1iku h THR 51 Ca 0.74 -1.63 -0.12 0.00 0.77 0.00 0.00 66.41 66.18 1iku h THR 51 Cb 2.10 1.73 -0.01 0.00 -1.74 0.00 0.00 68.15 70.23 1iku h THR 51 CO -0.43 0.49 -0.24 0.40 0.37 0.00 0.00 175.52 176.10 1iku h ILE 52 N 0.25 1.29 -0.36 3.11 2.04 0.20 0.46 117.51 124.49 1iku h ILE 52 Ca 0.02 -1.39 -0.09 0.00 1.00 0.00 0.00 64.86 64.40 1iku h ILE 52 Cb 0.89 1.41 -0.02 0.00 -0.74 0.00 0.00 36.82 38.37 1iku h ILE 52 CO 0.07 0.46 -0.15 0.22 0.00 0.00 0.00 178.15 178.75 1iku h TYR 53 N 0.57 0.70 0.04 1.37 3.20 -1.28 -2.39 116.97 119.18 1iku h TYR 53 Ca 0.07 -0.13 -0.23 0.00 3.14 0.00 0.00 58.73 61.58 1iku h TYR 53 Cb 0.81 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.88 1iku h TYR 53 CO 0.06 0.75 -1.09 1.03 -1.64 0.00 0.00 178.16 177.27 1iku h SER 54 N 0.58 0.13 0.03 -2.11 0.87 -1.39 -2.33 113.55 109.33 1iku h SER 54 Ca 0.10 -0.14 -0.00 0.00 -1.23 0.00 0.00 61.79 60.51 1iku h SER 54 Cb 0.58 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.50 1iku h SER 54 CO 0.04 1.11 -0.02 0.50 -0.53 0.00 0.00 176.83 177.94 1iku h LYS 55 N 0.02 -0.04 0.00 2.24 3.64 -0.76 -2.93 116.57 118.74 1iku h LYS 55 Ca -0.06 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.20 1iku h LYS 55 Cb 1.84 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 33.65 1iku h LYS 55 CO 0.15 0.39 -0.60 0.74 -2.27 0.00 0.00 179.45 177.86 1iku h PHE 56 N -0.48 0.00 -3.04 1.91 0.04 -1.56 -3.36 116.94 110.44 1iku h PHE 56 Ca -0.00 0.00 -0.62 0.00 2.80 0.00 0.00 57.97 60.15 1iku h PHE 56 Cb 0.44 0.00 -0.42 0.00 2.20 0.00 0.00 35.95 38.18 1iku h PHE 56 CO 0.07 0.60 -0.61 -0.06 -0.60 0.00 0.00 178.31 177.71 1iku s PHE 57 N -3.48 3.32 0.00 -0.55 0.08 -0.88 -4.11 117.98 112.37 1iku s PHE 57 Ca -0.00 -3.24 -0.04 0.00 0.12 0.00 0.00 56.93 53.77 1iku s PHE 57 Cb 0.12 -2.56 -0.02 0.00 -0.57 0.00 0.00 43.02 39.99 1iku s PHE 57 CO 0.75 -0.58 0.75 -1.00 -0.10 0.00 0.00 175.22 175.04 1iku h PRO 58 N 5.51 -0.15 -3.58 0.24 0.14 -1.68 -3.31 132.00 129.16 1iku h PRO 58 Ca 0.14 0.01 -0.66 0.00 0.14 0.00 0.00 66.00 65.63 1iku h PRO 58 Cb 0.78 0.03 0.00 0.00 0.14 0.00 0.00 31.00 31.95 1iku h PRO 58 CO 0.68 -0.10 3.33 -1.91 0.14 0.00 0.00 178.00 180.15 1iku n GLU 59 N -2.56 3.04 -0.38 0.86 2.13 -1.26 -4.82 120.64 117.65 1iku n GLU 59 Ca -0.02 -2.29 0.00 0.00 0.66 0.00 0.00 57.16 55.51 1iku n GLU 59 Cb 0.06 -2.99 0.00 0.00 0.27 0.00 0.00 31.44 28.78 1iku n GLU 59 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1iku n ALA 60 N 5.02 0.00 -3.88 4.31 0.00 -1.25 -4.87 120.51 119.84 1iku n ALA 60 Ca 0.62 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.73 1iku n ALA 60 Cb 0.30 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.61 1iku n ALA 60 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1iku s ASP 61 N 0.62 4.79 0.00 0.00 1.01 -1.26 -4.96 116.67 116.87 1iku s ASP 61 Ca 0.00 -1.64 0.00 0.00 0.71 0.00 0.00 52.55 51.62 1iku s ASP 61 Cb 0.00 -1.66 0.00 0.00 1.01 0.00 0.00 42.92 42.27 1iku s ASP 61 CO 0.00 -0.31 0.10 -2.65 0.21 0.00 0.00 175.17 172.52 1iku n PRO 62 N 4.47 0.19 -0.71 8.23 -0.02 -1.26 -1.82 135.00 144.09 1iku n PRO 62 Ca -0.08 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.37 1iku n PRO 62 Cb 0.42 -1.09 -0.03 0.00 -0.02 0.00 0.00 33.50 32.78 1iku n PRO 62 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 1iku n LYS 63 N 0.34 0.00 0.00 -0.52 -0.00 -1.26 -4.88 118.16 111.85 1iku n LYS 63 Ca 0.00 -0.48 0.00 0.00 -0.00 0.00 0.00 58.31 57.83 1iku n LYS 63 Cb 0.05 0.28 0.00 0.00 -0.00 0.00 0.00 35.03 35.36 1iku n LYS 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1iku n ALA 64 N 0.00 0.00 -0.11 0.58 0.00 -0.76 -4.77 120.51 115.45 1iku n ALA 64 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1iku n ALA 64 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 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 0.00 0.00 4.19 -1.26 -4.22 117.16 115.87 1iku n TYR 65 Ca 0.00 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.21 1iku n TYR 65 Cb 0.00 -0.20 0.00 0.00 0.49 0.00 0.00 39.34 39.63 1iku n TYR 65 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1iku n ALA 66 N -2.15 0.36 0.10 2.98 0.00 -1.26 -1.65 120.51 118.89 1iku n ALA 66 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1iku n ALA 66 Cb 0.00 -0.36 -0.07 0.00 0.00 0.00 0.00 19.45 19.03 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 -0.19 0.00 0.00 -0.00 -1.86 -2.66 115.11 110.39 1iku h GLN 67 Ca 0.00 0.01 -0.12 0.00 -0.00 0.00 0.00 58.65 58.54 1iku h GLN 67 Cb 0.62 0.04 -0.02 0.00 0.00 0.00 0.00 27.48 28.12 1iku h GLN 67 CO 0.00 -0.13 -0.57 1.12 0.00 0.00 0.00 178.83 179.26 1iku h HIS 68 N -0.20 0.00 0.06 3.99 2.07 -1.57 -3.19 115.15 116.32 1iku h HIS 68 Ca -0.01 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.51 1iku h HIS 68 Cb 0.17 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.15 1iku h HIS 68 CO -0.09 0.57 -0.03 0.28 -3.07 0.00 0.00 177.93 175.58 1iku h VAL 69 N 0.00 1.03 -0.15 6.12 2.07 -1.60 0.28 116.25 124.00 1iku h VAL 69 Ca -0.01 -0.30 -0.08 0.00 0.82 0.00 0.00 66.70 67.13 1iku h VAL 69 Cb 1.37 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 32.36 1iku h VAL 69 CO 0.07 0.08 -0.24 0.15 0.02 0.00 0.00 177.57 177.65 1iku h PHE 70 N -0.22 0.29 -0.01 1.57 3.57 -1.59 -2.54 116.94 118.01 1iku h PHE 70 Ca -0.01 -0.05 -0.17 0.00 3.53 0.00 0.00 57.97 61.26 1iku h PHE 70 Cb 0.19 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.84 1iku h PHE 70 CO -0.03 0.50 -0.79 -0.09 -2.23 0.00 0.00 178.31 175.67 1iku h ARG 71 N 0.24 0.11 -0.11 1.11 2.43 -1.48 -3.17 114.38 113.50 1iku h ARG 71 Ca 0.04 -0.11 -0.13 0.00 -0.81 0.00 0.00 59.98 58.98 1iku h ARG 71 Cb 0.57 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.13 1iku h ARG 71 CO 0.04 0.84 -0.49 0.66 -1.51 0.00 0.00 179.97 179.51 1iku h SER 72 N 0.06 0.31 0.00 -3.80 4.64 -0.11 -2.68 113.55 111.97 1iku h SER 72 Ca -0.02 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 1iku h SER 72 Cb 1.39 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1iku h SER 72 CO 0.11 0.75 0.06 -0.26 -0.87 0.00 0.00 176.83 176.62 1iku h PHE 73 N 0.23 0.00 0.00 4.77 -1.00 -1.43 -3.44 116.94 116.06 1iku h PHE 73 Ca 0.01 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.79 1iku h PHE 73 Cb 0.95 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.51 1iku h PHE 73 CO 0.02 0.00 0.00 -0.25 -1.61 0.00 0.00 178.31 176.47 1iku n ASP 74 N -2.80 0.00 -0.22 2.17 8.00 -1.01 -4.58 116.55 118.10 1iku n ASP 74 Ca -0.02 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.45 1iku n ASP 74 Cb 0.11 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.20 1iku n ASP 74 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1iku n ALA 75 N 0.09 -0.04 0.70 2.24 0.00 -1.26 -4.87 120.51 117.37 1iku n ALA 75 Ca 0.00 0.05 0.07 0.00 0.00 0.00 0.00 53.44 53.56 1iku n ALA 75 Cb 0.00 -0.66 0.37 0.00 0.00 0.00 0.00 19.45 19.16 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 0.81 0.00 -4.73 0.00 4.13 -1.26 -3.44 115.26 110.77 1iku n ASN 76 Ca -0.03 -0.01 -0.37 0.00 1.68 0.00 0.00 54.58 55.86 1iku n ASN 76 Cb 0.13 -0.24 -0.07 0.00 -1.54 0.00 0.00 39.78 38.06 1iku n ASN 76 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1iku s SER 77 N -2.47 6.46 0.00 6.41 0.01 -1.26 -4.16 113.70 118.69 1iku s SER 77 Ca 0.15 0.54 0.00 0.00 1.31 0.00 0.00 55.95 57.95 1iku s SER 77 Cb 0.09 -2.19 0.00 0.00 0.21 0.00 0.00 66.02 64.13 1iku s SER 77 CO 0.21 0.10 0.00 0.47 0.41 0.00 0.00 173.24 174.42 1iku n ASP 78 N 3.53 -2.64 0.00 2.44 8.00 -1.26 -1.95 116.55 124.68 1iku n ASP 78 Ca -0.12 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.38 1iku n ASP 78 Cb 0.52 -1.97 0.00 0.00 -0.02 0.00 0.00 41.12 39.65 1iku n ASP 78 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1iku n GLY 79 N 0.33 1.47 3.99 0.44 0.00 -1.22 -4.90 105.19 105.30 1iku n GLY 79 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.36 2.78 0.00 2.61 -4.23 -0.82 -4.65 115.64 110.97 1iku s THR 80 Ca 0.00 -0.82 0.01 0.00 -1.18 0.00 0.00 61.69 59.70 1iku s THR 80 Cb 0.00 -2.96 -0.01 0.00 1.34 0.00 0.00 72.50 70.87 1iku s THR 80 CO 0.00 0.00 -0.02 -1.48 -0.54 0.00 0.00 174.62 172.58 1iku s LEU 81 N -4.59 2.05 0.30 4.79 0.05 0.55 -4.52 118.68 117.31 1iku s LEU 81 Ca 0.57 -0.13 -0.30 0.00 0.05 0.00 0.00 54.13 54.32 1iku s LEU 81 Cb -0.10 -0.07 -0.11 0.00 -2.05 0.00 0.00 46.19 43.86 1iku s LEU 81 CO 0.36 -0.03 1.50 1.51 -0.55 0.00 0.00 176.35 179.13 1iku s ASP 82 N -0.33 6.50 -0.10 1.48 1.47 -1.26 -1.73 116.67 122.70 1iku s ASP 82 Ca -0.02 2.85 -0.02 0.00 1.18 0.00 0.00 52.55 56.53 1iku s ASP 82 Cb -0.03 -2.64 -0.26 0.00 -0.34 0.00 0.00 42.92 39.66 1iku s ASP 82 CO -0.00 -0.80 0.43 0.33 0.68 0.00 0.00 175.17 175.81 1iku n PHE 83 N 1.80 1.21 0.24 2.11 7.35 -0.02 -3.51 117.46 126.63 1iku n PHE 83 Ca 0.06 0.29 -0.16 0.00 -0.76 0.00 0.00 57.45 56.88 1iku n PHE 83 Cb 0.39 -1.17 -0.08 0.00 0.35 0.00 0.00 39.48 38.97 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 -0.55 -0.97 -4.13 1.57 -1.91 -0.74 116.57 109.90 1iku h LYS 84 Ca -0.39 0.04 0.08 0.00 -1.87 0.00 0.00 60.65 58.50 1iku h LYS 84 Cb 2.03 0.12 -0.07 0.00 0.08 0.00 0.00 32.23 34.39 1iku h LYS 84 CO 0.09 -0.36 0.61 0.93 -0.57 0.00 0.00 179.45 180.15 1iku h GLU 85 N -0.57 1.04 -0.42 3.15 5.08 -1.96 -1.35 114.58 119.55 1iku h GLU 85 Ca -0.05 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.26 1iku h GLU 85 Cb 0.44 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 1iku h GLU 85 CO 0.09 0.69 0.25 -0.92 -1.00 0.00 0.00 179.01 178.12 1iku h TYR 86 N 1.08 0.47 -0.17 4.33 5.03 -1.50 -1.64 116.97 124.57 1iku h TYR 86 Ca 0.44 0.01 0.03 0.00 2.58 0.00 0.00 58.73 61.80 1iku h TYR 86 Cb 0.26 -0.15 -0.03 0.00 1.55 0.00 0.00 36.73 38.35 1iku h TYR 86 CO -0.01 0.27 -0.05 0.28 -1.32 0.00 0.00 178.16 177.33 1iku h VAL 87 N 0.50 0.82 0.40 1.81 2.07 -0.04 0.14 116.25 121.95 1iku h VAL 87 Ca 0.17 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.68 1iku h VAL 87 Cb 0.01 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 1iku h VAL 87 CO -0.08 0.00 -0.31 0.40 0.02 0.00 0.00 177.57 177.60 1iku h ILE 88 N -0.01 0.35 0.00 4.57 2.04 -1.10 0.48 117.51 123.85 1iku h ILE 88 Ca 0.08 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.94 1iku h ILE 88 Cb 0.13 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 36.56 1iku h ILE 88 CO -0.18 0.00 0.00 0.00 0.00 0.00 0.00 178.15 177.97 1iku h ALA 89 N -0.21 1.00 0.03 1.87 0.00 -1.11 -0.97 119.26 119.87 1iku h ALA 89 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.58 1iku h ALA 89 Cb 0.61 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 1iku h ALA 89 CO -0.01 0.00 -1.71 1.25 0.00 0.00 0.00 179.25 178.79 1iku h LEU 90 N 0.00 0.09 0.23 0.00 7.12 0.91 -3.40 115.31 120.26 1iku h LEU 90 Ca 0.00 -0.19 -0.01 0.00 0.13 0.00 0.00 57.88 57.81 1iku h LEU 90 Cb 0.07 -0.03 0.00 0.00 -0.53 0.00 0.00 40.66 40.17 1iku h LEU 90 CO 0.00 1.17 -0.11 0.45 -0.13 0.00 0.00 178.44 179.82 1iku h HIS 91 N 0.02 -0.28 -0.04 1.25 3.86 0.13 -3.45 115.15 116.63 1iku h HIS 91 Ca -0.29 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 58.91 1iku h HIS 91 Cb 2.00 0.09 0.00 0.00 1.06 0.00 0.00 27.41 30.57 1iku h HIS 91 CO 0.02 -0.18 0.00 -1.33 0.86 0.00 0.00 177.93 177.30 1iku n MET 92 N -3.50 2.08 -2.13 2.45 2.81 -0.97 -3.99 117.12 113.87 1iku n MET 92 Ca -0.04 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.85 1iku n MET 92 Cb 0.12 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.63 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 -0.11 0.00 0.66 2.03 5.66 -1.26 -4.64 114.28 116.63 1iku n THR 93 Ca 0.00 0.00 0.07 0.00 -3.05 0.00 0.00 64.05 61.07 1iku n THR 93 Cb 0.00 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 68.75 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 -1.10 1.24 -0.98 1.09 3.41 -1.26 -5.07 113.62 110.96 1iku n SER 94 Ca 0.00 -1.12 0.00 0.00 -0.26 0.00 0.00 58.87 57.49 1iku n SER 94 Cb 0.40 0.65 0.00 0.00 -0.26 0.00 0.00 64.21 65.00 1iku n SER 94 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1iku n ALA 95 N -0.55 -2.48 0.00 7.33 0.00 -1.26 -5.00 120.51 118.54 1iku n ALA 95 Ca 0.05 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.74 1iku n ALA 95 Cb 0.28 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.73 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 0.02 -0.13 3.95 0.00 0.00 -1.26 -5.04 105.19 102.73 1iku n GLY 96 Ca 0.00 -0.56 -0.26 0.00 0.00 0.00 0.00 46.02 45.20 1iku n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iku s LYS 97 N -0.77 1.73 -0.02 1.61 3.01 -1.26 -5.06 119.74 118.98 1iku s LYS 97 Ca 0.00 -0.51 -0.02 0.00 -1.01 0.00 0.00 55.97 54.43 1iku s LYS 97 Cb 0.00 -2.14 -0.01 0.00 -1.01 0.00 0.00 37.83 34.67 1iku s LYS 97 CO 0.00 -1.54 -0.04 2.41 0.51 0.00 0.00 175.35 176.68 1iku n THR 98 N -3.08 0.27 0.10 2.17 -1.04 -1.26 -4.46 114.28 106.97 1iku n THR 98 Ca 0.11 0.30 0.02 0.00 -2.04 0.00 0.00 64.05 62.45 1iku n THR 98 Cb 0.60 -1.46 0.11 0.00 -1.82 0.00 0.00 70.33 67.75 1iku n THR 98 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 1iku n ASN 99 N -2.81 0.10 0.11 8.00 6.94 -1.26 0.68 115.26 127.02 1iku n ASN 99 Ca -0.02 0.30 -0.20 0.00 -0.02 0.00 0.00 54.58 54.65 1iku n ASN 99 Cb 0.06 -0.21 -0.15 0.00 -2.36 0.00 0.00 39.78 37.12 1iku n ASN 99 CO 0.00 0.00 0.00 -0.61 -1.03 0.00 0.00 177.26 175.62 1iku h GLN 100 N 0.00 0.38 0.17 -3.83 4.15 -2.00 -3.34 115.11 110.64 1iku h GLN 100 Ca 0.00 -0.64 -0.32 0.00 0.77 0.00 0.00 58.65 58.46 1iku h GLN 100 Cb 0.90 0.24 0.01 0.00 0.21 0.00 0.00 27.48 28.84 1iku h GLN 100 CO 0.00 1.30 -1.49 0.87 -1.93 0.00 0.00 178.83 177.58 1iku h LYS 101 N 0.10 0.36 0.00 1.69 1.57 0.03 -3.35 116.57 116.97 1iku h LYS 101 Ca -0.20 -0.62 0.00 0.00 -1.87 0.00 0.00 60.65 57.95 1iku h LYS 101 Cb 2.06 0.23 0.00 0.00 0.08 0.00 0.00 32.23 34.60 1iku h LYS 101 CO 0.23 1.27 0.00 1.28 -0.57 0.00 0.00 179.45 181.66 1iku n LEU 102 N -3.57 0.00 -0.31 2.94 4.77 -1.00 -1.44 117.00 118.39 1iku n LEU 102 Ca -0.16 0.92 0.27 0.00 -0.03 0.00 0.00 56.01 57.01 1iku n LEU 102 Cb 1.06 -0.42 0.49 0.00 -2.33 0.00 0.00 43.42 42.22 1iku n LEU 102 CO 0.54 -0.42 0.95 -0.62 -1.33 0.00 0.00 177.39 176.51 1iku n GLU 103 N -2.36 -0.06 -0.14 3.23 1.02 -1.25 0.94 120.64 122.02 1iku n GLU 103 Ca 0.00 1.34 -0.09 0.00 -0.02 0.00 0.00 57.16 58.39 1iku n GLU 103 Cb 0.00 -2.34 -0.01 0.00 -0.02 0.00 0.00 31.44 29.08 1iku n GLU 103 CO 0.00 0.00 0.00 2.35 1.18 0.00 0.00 177.13 180.66 1iku h TRP 104 N 0.00 0.64 -0.14 -0.32 7.01 -1.38 0.16 115.95 121.92 1iku h TRP 104 Ca 0.75 -0.06 -0.03 0.00 2.11 0.00 0.00 58.89 61.66 1iku h TRP 104 Cb 1.92 -0.19 -0.00 0.00 -2.10 0.00 0.00 29.16 28.78 1iku h TRP 104 CO -0.12 0.59 -0.04 0.00 -2.79 0.00 0.00 178.44 176.08 1iku h ALA 105 N 0.98 0.19 -0.58 2.65 0.00 0.18 0.27 119.26 122.95 1iku h ALA 105 Ca 0.13 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1iku h ALA 105 Cb 0.25 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1iku h ALA 105 CO -0.01 -0.05 0.37 0.35 0.00 0.00 0.00 179.25 179.92 1iku h PHE 106 N -0.04 0.73 0.01 0.00 3.04 -0.79 -2.09 116.94 117.80 1iku h PHE 106 Ca 0.03 0.01 -0.25 0.00 3.98 0.00 0.00 57.97 61.75 1iku h PHE 106 Cb 0.47 -0.25 0.01 0.00 2.56 0.00 0.00 35.95 38.75 1iku h PHE 106 CO 0.05 0.47 -1.02 0.66 -2.02 0.00 0.00 178.31 176.45 1iku h SER 107 N 0.78 0.76 -0.79 0.41 4.64 -0.49 -2.44 113.55 116.43 1iku h SER 107 Ca 0.21 -0.62 0.21 0.00 -0.47 0.00 0.00 61.79 61.12 1iku h SER 107 Cb -0.08 -0.23 -0.04 0.00 -0.31 0.00 0.00 62.40 61.74 1iku h SER 107 CO -0.04 1.42 0.55 0.25 -0.87 0.00 0.00 176.83 178.14 1iku h LEU 108 N 0.33 0.14 0.00 5.97 5.85 0.24 -2.98 115.31 124.85 1iku h LEU 108 Ca -0.11 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.62 1iku h LEU 108 Cb 1.67 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.68 1iku h LEU 108 CO 0.19 0.06 -0.24 1.88 -0.34 0.00 0.00 178.44 179.99 1iku h TYR 109 N 0.14 0.00 0.00 1.25 0.05 -1.42 -3.38 116.97 113.61 1iku h TYR 109 Ca 0.39 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.17 1iku h TYR 109 Cb 1.31 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.05 1iku h TYR 109 CO -0.00 0.00 0.00 -3.47 -1.05 0.00 0.00 178.16 173.64 1iku n ASP 110 N -4.18 0.00 -0.05 3.88 2.03 -0.92 -4.62 116.55 112.69 1iku n ASP 110 Ca -0.03 0.00 -0.07 0.00 0.52 0.00 0.00 54.79 55.21 1iku n ASP 110 Cb 0.13 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.46 1iku n ASP 110 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1iku n VAL 111 N 0.00 0.66 0.56 5.18 0.24 -1.26 -4.50 118.33 119.21 1iku n VAL 111 Ca 0.00 -0.32 0.07 0.00 -2.04 0.00 0.00 64.34 62.05 1iku n VAL 111 Cb 0.00 -0.85 0.33 0.00 -1.47 0.00 0.00 33.84 31.85 1iku n VAL 111 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1iku n ASP 112 N -2.62 0.00 0.00 -1.34 8.00 -1.26 -4.84 116.55 114.48 1iku n ASP 112 Ca -0.18 0.38 0.00 0.00 0.71 0.00 0.00 54.79 55.70 1iku n ASP 112 Cb 0.76 -0.44 0.00 0.00 -0.02 0.00 0.00 41.12 41.42 1iku n ASP 112 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1iku n GLY 113 N -0.00 1.06 0.21 0.44 0.00 -1.26 -4.67 105.19 100.96 1iku n GLY 113 Ca 0.05 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.12 1iku n GLY 113 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1iku h ASN 114 N 0.00 0.00 -3.22 1.61 -0.26 -1.96 -3.43 115.58 108.32 1iku h ASN 114 Ca 0.00 0.00 -0.10 0.00 -0.56 0.00 0.00 56.30 55.64 1iku h ASN 114 Cb 0.00 0.00 0.05 0.00 -1.06 0.00 0.00 38.32 37.31 1iku h ASN 114 CO 0.00 0.00 -0.24 0.61 -1.06 0.00 0.00 177.43 176.74 1iku n GLY 115 N -1.28 0.20 3.17 2.83 0.00 -1.26 -4.99 105.19 103.86 1iku n GLY 115 Ca -0.01 -0.26 -0.09 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.11 0.13 0.07 2.61 -4.23 -1.26 -3.47 115.64 106.37 1iku s THR 116 Ca 0.02 -1.08 0.02 0.00 -1.18 0.00 0.00 61.69 59.47 1iku s THR 116 Cb -0.00 -1.09 -0.03 0.00 1.34 0.00 0.00 72.50 72.71 1iku s THR 116 CO 0.23 -0.59 -0.08 -0.51 -0.54 0.00 0.00 174.62 173.13 1iku s ILE 117 N -3.10 0.63 0.42 2.99 2.07 -0.67 -4.71 121.20 118.83 1iku s ILE 117 Ca -0.01 -1.45 0.07 0.00 -1.41 0.00 0.00 60.65 57.84 1iku s ILE 117 Cb 0.02 -1.08 -0.07 0.00 0.13 0.00 0.00 42.46 41.45 1iku s ILE 117 CO -0.07 -0.58 0.02 -0.55 -1.91 0.00 0.00 174.94 171.84 1iku s SER 118 N -2.21 3.92 0.21 4.50 0.15 -1.26 -1.39 113.70 117.62 1iku s SER 118 Ca -0.00 -1.38 -0.10 0.00 0.70 0.00 0.00 55.95 55.17 1iku s SER 118 Cb -0.04 -0.32 0.26 0.00 -1.71 0.00 0.00 66.02 64.22 1iku s SER 118 CO -0.02 -0.49 1.75 0.07 1.20 0.00 0.00 173.24 175.76 1iku h LYS 119 N 1.72 0.43 -0.93 5.44 2.10 -1.99 -1.34 116.57 121.99 1iku h LYS 119 Ca -0.44 -0.03 0.28 0.00 -2.00 0.00 0.00 60.65 58.46 1iku h LYS 119 Cb 1.25 -0.10 -0.15 0.00 -0.90 0.00 0.00 32.23 32.33 1iku h LYS 119 CO 0.80 0.28 0.29 -0.91 -2.00 0.00 0.00 179.45 177.91 1iku h ASN 120 N 0.44 0.04 -0.30 7.07 2.35 -1.97 0.67 115.58 123.88 1iku h ASN 120 Ca 0.30 0.22 -0.05 0.00 -0.55 0.00 0.00 56.30 56.21 1iku h ASN 120 Cb 0.34 0.29 -0.01 0.00 0.05 0.00 0.00 38.32 38.99 1iku h ASN 120 CO -0.28 -0.22 -0.02 -0.33 -1.65 0.00 0.00 177.43 174.92 1iku h GLU 121 N 0.17 0.55 -0.92 0.81 3.07 -1.66 -2.67 114.58 113.93 1iku h GLU 121 Ca 0.63 -0.19 0.10 0.00 -0.50 0.00 0.00 59.36 59.40 1iku h GLU 121 Cb 1.37 -0.04 -0.07 0.00 -0.84 0.00 0.00 28.75 29.16 1iku h GLU 121 CO -0.71 0.71 0.59 0.28 -1.40 0.00 0.00 179.01 178.48 1iku h VAL 122 N 0.33 0.96 0.21 3.13 2.07 0.45 -1.77 116.25 121.63 1iku h VAL 122 Ca 0.08 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 67.29 1iku h VAL 122 Cb 0.48 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 1iku h VAL 122 CO 0.02 0.17 -0.16 0.25 0.02 0.00 0.00 177.57 177.87 1iku h LEU 123 N 0.91 -0.41 -0.71 2.57 5.85 -0.45 -2.01 115.31 121.06 1iku h LEU 123 Ca 0.43 0.03 0.15 0.00 0.84 0.00 0.00 57.88 59.33 1iku h LEU 123 Cb 0.42 0.13 -0.13 0.00 0.37 0.00 0.00 40.66 41.45 1iku h LEU 123 CO -0.19 -0.25 -0.12 -0.33 -0.34 0.00 0.00 178.44 177.21 1iku h GLU 124 N -0.37 0.03 0.24 1.25 5.08 -1.00 0.26 114.58 120.06 1iku h GLU 124 Ca -0.01 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1iku h GLU 124 Cb 0.33 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 1iku h GLU 124 CO -0.01 0.02 -0.25 0.82 -1.00 0.00 0.00 179.01 178.59 1iku h ILE 125 N 0.03 0.46 -0.52 3.13 2.04 -1.22 0.52 117.51 121.96 1iku h ILE 125 Ca 0.36 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.31 1iku h ILE 125 Cb 0.58 0.46 -0.03 0.00 -0.74 0.00 0.00 36.82 37.08 1iku h ILE 125 CO -0.70 0.00 0.35 0.58 0.00 0.00 0.00 178.15 178.38 1iku h VAL 126 N -0.53 0.90 -0.00 1.67 2.07 -0.41 -0.18 116.25 119.76 1iku h VAL 126 Ca -0.00 -0.11 -0.16 0.00 0.82 0.00 0.00 66.70 67.24 1iku h VAL 126 Cb 0.50 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 1iku h VAL 126 CO -0.06 0.06 -0.76 0.74 0.02 0.00 0.00 177.57 177.56 1iku h THR 127 N 0.33 1.53 0.13 2.57 2.02 0.33 -1.61 112.91 118.22 1iku h THR 127 Ca 0.24 -2.57 -0.01 0.00 0.77 0.00 0.00 66.41 64.84 1iku h THR 127 Cb 0.50 2.39 0.00 0.00 -1.74 0.00 0.00 68.15 69.30 1iku h THR 127 CO -0.06 0.74 -0.06 0.00 0.37 0.00 0.00 175.52 176.51 1iku h ALA 128 N 1.22 -0.18 -0.43 6.16 0.00 0.82 -1.77 119.26 125.08 1iku h ALA 128 Ca -0.01 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1iku h ALA 128 Cb 1.34 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.18 1iku h ALA 128 CO 0.10 -0.33 0.21 0.82 0.00 0.00 0.00 179.25 180.05 1iku h ILE 129 N -0.71 1.17 -0.24 0.00 2.04 -1.34 -2.59 117.51 115.85 1iku h ILE 129 Ca -0.02 -0.49 0.02 0.00 1.00 0.00 0.00 64.86 65.38 1iku h ILE 129 Cb 0.52 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 37.29 1iku h ILE 129 CO 0.03 0.19 0.09 0.15 0.00 0.00 0.00 178.15 178.61 1iku h PHE 130 N 0.55 0.16 -1.04 1.37 3.57 -1.35 0.20 116.94 120.40 1iku h PHE 130 Ca 0.15 0.01 0.30 0.00 3.53 0.00 0.00 57.97 61.96 1iku h PHE 130 Cb 0.11 -0.04 -0.05 0.00 2.79 0.00 0.00 35.95 38.76 1iku h PHE 130 CO -0.01 0.08 0.74 -0.22 -2.23 0.00 0.00 178.31 176.67 1iku h LYS 131 N 0.20 0.05 -0.09 1.11 1.63 -1.03 1.11 116.57 119.56 1iku h LYS 131 Ca 0.10 -0.00 -0.15 0.00 -0.85 0.00 0.00 60.65 59.75 1iku h LYS 131 Cb 0.07 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.67 1iku h LYS 131 CO -0.10 0.03 -0.60 1.98 -3.45 0.00 0.00 179.45 177.31 1iku h MET 132 N 0.05 0.30 -6.24 1.90 4.05 -0.24 -3.40 114.93 111.34 1iku h MET 132 Ca 0.51 -0.21 -0.56 0.00 -0.28 0.00 0.00 59.70 59.16 1iku h MET 132 Cb 1.93 0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 32.75 1iku h MET 132 CO -0.04 0.81 1.20 0.42 0.23 0.00 0.00 176.91 179.53 1iku s ILE 133 N -3.79 3.44 0.89 1.77 1.01 0.38 -4.80 121.20 120.10 1iku s ILE 133 Ca -0.05 0.50 -0.11 0.00 0.00 0.00 0.00 60.65 61.00 1iku s ILE 133 Cb 0.12 -3.42 0.13 0.00 0.01 0.00 0.00 42.46 39.30 1iku s ILE 133 CO 0.81 -0.16 1.17 -0.44 0.00 0.00 0.00 174.94 176.32 1iku s SER 134 N 4.81 3.04 0.60 3.58 0.01 -1.26 -4.81 113.70 119.66 1iku s SER 134 Ca 0.80 2.25 0.31 0.00 1.31 0.00 0.00 55.95 60.62 1iku s SER 134 Cb -0.31 -2.58 1.76 0.00 0.21 0.00 0.00 66.02 65.10 1iku s SER 134 CO 0.33 -3.03 2.13 -0.65 0.41 0.00 0.00 173.24 172.43 1iku h PRO 135 N -1.64 0.00 0.00 12.44 0.10 -1.95 -2.60 132.00 138.34 1iku h PRO 135 Ca -0.44 0.00 -0.02 0.00 0.10 0.00 0.00 66.00 65.64 1iku h PRO 135 Cb 1.28 0.00 -0.00 0.00 0.10 0.00 0.00 31.00 32.37 1iku h PRO 135 CO 0.42 0.00 -0.24 1.49 0.10 0.00 0.00 178.00 179.77 1iku h GLU 136 N 0.00 0.00 0.00 1.05 4.81 -2.02 -3.29 114.58 115.13 1iku h GLU 136 Ca 0.06 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1iku h GLU 136 Cb 0.39 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.77 1iku h GLU 136 CO -0.00 0.22 0.08 -3.47 -0.73 0.00 0.00 179.01 175.11 1iku n ASP 137 N -4.68 0.00 0.12 1.04 -0.08 -1.13 -0.21 116.55 111.61 1iku n ASP 137 Ca -0.06 0.24 -0.02 0.00 -1.51 0.00 0.00 54.79 53.44 1iku n ASP 137 Cb 0.19 -0.24 0.08 0.00 2.34 0.00 0.00 41.12 43.49 1iku n ASP 137 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 1iku h THR 138 N 0.00 1.41 0.00 5.18 2.02 -1.54 -2.98 112.91 117.00 1iku h THR 138 Ca 0.00 -2.51 -0.00 0.00 0.77 0.00 0.00 66.41 64.67 1iku h THR 138 Cb 0.16 2.39 -0.00 0.00 -1.74 0.00 0.00 68.15 68.96 1iku h THR 138 CO 0.00 0.69 -0.02 0.50 0.37 0.00 0.00 175.52 177.06 1iku h LYS 139 N 0.00 0.00 0.00 6.66 3.11 -0.76 0.05 116.57 125.63 1iku h LYS 139 Ca -0.01 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.83 1iku h LYS 139 Cb 1.33 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.56 1iku h LYS 139 CO 0.09 0.02 0.00 0.45 -2.81 0.00 0.00 179.45 177.20 1iku h HIS 140 N 0.00 0.00 -3.57 1.91 3.86 -1.68 -3.43 115.15 112.23 1iku h HIS 140 Ca -0.00 0.00 -0.52 0.00 -1.16 0.00 0.00 60.37 58.69 1iku h HIS 140 Cb 0.10 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.54 1iku h HIS 140 CO 0.00 0.00 0.24 -0.51 0.86 0.00 0.00 177.93 178.52 1iku s LEU 141 N -5.97 4.58 1.35 2.43 1.43 0.00 -5.04 118.68 117.47 1iku s LEU 141 Ca 0.03 1.71 -0.20 0.00 -1.03 0.00 0.00 54.13 54.64 1iku s LEU 141 Cb 0.08 -3.39 0.33 0.00 0.03 0.00 0.00 46.19 43.24 1iku s LEU 141 CO 0.55 0.15 0.80 -2.65 0.23 0.00 0.00 176.35 175.43 1iku n PRO 142 N 1.81 -3.98 0.00 1.29 -0.01 -1.26 -4.92 135.00 127.93 1iku n PRO 142 Ca -0.04 -1.17 0.12 0.00 -0.01 0.00 0.00 63.50 62.40 1iku n PRO 142 Cb 0.48 -1.91 0.21 0.00 -0.01 0.00 0.00 33.50 32.27 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 -5.02 0.83 -0.51 -0.52 -0.58 -1.26 -3.97 120.64 109.61 1iku n GLU 143 Ca 0.10 -0.58 0.06 0.00 -0.42 0.00 0.00 57.16 56.32 1iku n GLU 143 Cb 0.56 -1.49 0.27 0.00 -0.57 0.00 0.00 31.44 30.21 1iku n GLU 143 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 1iku n ASP 144 N -0.58 3.82 -2.68 1.62 5.68 -1.26 -4.36 116.55 118.79 1iku n ASP 144 Ca 0.10 -2.43 -0.05 0.00 -0.50 0.00 0.00 54.79 51.91 1iku n ASP 144 Cb 0.38 -0.53 0.06 0.00 -1.14 0.00 0.00 41.12 39.90 1iku n ASP 144 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 1iku n GLU 145 N 0.66 0.54 -0.88 0.11 0.28 -1.25 -4.90 120.64 115.20 1iku n GLU 145 Ca 0.19 -1.16 -0.07 0.00 -0.16 0.00 0.00 57.16 55.96 1iku n GLU 145 Cb 0.75 -0.21 0.20 0.00 1.43 0.00 0.00 31.44 33.62 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 -0.15 2.91 -3.77 -1.84 0.23 -1.26 -4.79 115.26 106.59 1iku n ASN 146 Ca -0.11 -3.67 -0.13 0.00 -0.53 0.00 0.00 54.58 50.14 1iku n ASN 146 Cb 0.73 -0.68 -0.12 0.00 -2.08 0.00 0.00 39.78 37.63 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 -3.22 -0.01 0.66 5.53 -4.23 -1.26 -5.00 115.64 108.11 1iku s THR 147 Ca 0.47 0.03 0.34 0.00 -1.18 0.00 0.00 61.69 61.36 1iku s THR 147 Cb 0.42 -0.35 0.35 0.00 1.34 0.00 0.00 72.50 74.25 1iku s THR 147 CO 0.03 0.01 2.06 -0.65 -0.54 0.00 0.00 174.62 175.53 1iku h PRO 148 N 6.10 0.00 0.07 3.99 0.10 -1.92 0.27 132.00 140.61 1iku h PRO 148 Ca -0.29 0.00 -0.30 0.00 0.10 0.00 0.00 66.00 65.50 1iku h PRO 148 Cb 1.18 0.00 -0.02 0.00 0.10 0.00 0.00 31.00 32.26 1iku h PRO 148 CO 0.36 0.00 -1.63 0.93 0.10 0.00 0.00 178.00 177.76 1iku h GLU 149 N 0.00 0.16 0.00 1.05 5.08 -1.96 -2.77 114.58 116.14 1iku h GLU 149 Ca 0.01 -0.27 -0.05 0.00 -1.00 0.00 0.00 59.36 58.05 1iku h GLU 149 Cb 0.49 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 1iku h GLU 149 CO -0.00 0.93 -0.46 0.87 -1.00 0.00 0.00 179.01 179.36 1iku h LYS 150 N 0.04 0.00 0.14 2.33 1.79 -1.27 -2.49 116.57 117.10 1iku h LYS 150 Ca -0.27 0.00 -0.18 0.00 -2.18 0.00 0.00 60.65 58.02 1iku h LYS 150 Cb 2.00 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 32.67 1iku h LYS 150 CO 0.12 0.20 -0.79 0.00 -1.08 0.00 0.00 179.45 177.89 1iku h ARG 151 N 0.00 0.30 -0.00 3.15 3.08 -0.71 -2.80 114.38 117.40 1iku h ARG 151 Ca -0.02 -0.50 -0.14 0.00 0.07 0.00 0.00 59.98 59.39 1iku h ARG 151 Cb 1.19 0.19 -0.02 0.00 0.08 0.00 0.00 29.97 31.40 1iku h ARG 151 CO 0.03 1.24 -0.68 0.00 -1.07 0.00 0.00 179.97 179.48 1iku h ALA 152 N 0.09 0.87 0.34 0.04 0.00 -1.58 -2.88 119.26 116.13 1iku h ALA 152 Ca -0.14 -0.62 -0.02 0.00 0.00 0.00 0.00 54.91 54.14 1iku h ALA 152 Cb 1.63 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.31 1iku h ALA 152 CO 0.15 0.85 -0.16 0.93 0.00 0.00 0.00 179.25 181.01 1iku h GLU 153 N 0.01 -0.44 -0.74 0.00 3.07 -1.54 0.11 114.58 115.05 1iku h GLU 153 Ca -0.01 0.03 0.17 0.00 -0.50 0.00 0.00 59.36 59.05 1iku h GLU 153 Cb 1.21 0.10 -0.12 0.00 -0.84 0.00 0.00 28.75 29.10 1iku h GLU 153 CO 0.09 -0.11 0.11 -0.22 -1.40 0.00 0.00 179.01 177.48 1iku h LYS 154 N -0.86 0.18 0.55 2.33 1.63 -1.54 0.27 116.57 119.13 1iku h LYS 154 Ca -0.05 -0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 59.72 1iku h LYS 154 Cb 0.53 -0.04 0.01 0.00 -0.60 0.00 0.00 32.23 32.12 1iku h LYS 154 CO 0.08 0.12 -0.26 0.82 -3.45 0.00 0.00 179.45 176.75 1iku h ILE 155 N 0.19 0.00 -1.10 2.00 2.04 -1.41 -2.49 117.51 116.74 1iku h ILE 155 Ca 0.42 -0.04 0.32 0.00 1.00 0.00 0.00 64.86 66.56 1iku h ILE 155 Cb 0.74 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.77 1iku h ILE 155 CO -0.58 0.00 1.02 -0.25 0.00 0.00 0.00 178.15 178.34 1iku h TRP 156 N -0.77 0.00 0.43 1.37 2.91 -0.08 1.07 115.95 120.87 1iku h TRP 156 Ca -0.08 0.00 -0.02 0.00 1.13 0.00 0.00 58.89 59.92 1iku h TRP 156 Cb 0.56 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.22 1iku h TRP 156 CO 0.09 0.00 -0.21 0.78 -1.03 0.00 0.00 178.44 178.07 1iku h GLY 157 N 0.00 -0.60 0.56 2.65 0.00 -0.51 -2.97 103.07 102.20 1iku h GLY 157 Ca 0.52 0.22 0.00 0.00 0.00 0.00 0.00 47.33 48.08 1iku h GLY 157 CO -0.01 -0.22 -0.39 0.69 0.00 0.00 0.00 176.54 176.62 1iku n PHE 158 N -5.18 0.00 0.03 5.60 3.72 -0.27 -3.94 117.46 117.42 1iku n PHE 158 Ca -0.09 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.23 1iku n PHE 158 Cb 0.28 -0.18 -0.13 0.00 -0.94 0.00 0.00 39.48 38.52 1iku n PHE 158 CO 0.00 0.00 0.00 0.35 -0.05 0.00 0.00 176.76 177.06 1iku h PHE 159 N 0.65 0.01 0.00 1.38 3.57 0.10 -3.45 116.94 119.19 1iku h PHE 159 Ca 0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1iku h PHE 159 Cb 0.51 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.25 1iku h PHE 159 CO 0.00 1.01 0.00 0.41 -2.23 0.00 0.00 178.31 177.50 1iku n GLY 160 N 1.44 0.23 0.00 2.40 0.00 -1.12 -4.70 105.19 103.44 1iku n GLY 160 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 0.00 1.61 4.81 -1.25 -5.08 118.16 118.25 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 1.63 1.17 0.00 0.00 177.40 180.20 1iku n LYS 162 N -0.12 0.00 -4.14 1.64 5.02 -1.26 -5.02 118.16 114.28 1iku n LYS 162 Ca 0.00 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.02 1iku n LYS 162 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 34.94 1iku n LYS 162 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1iku s ASP 163 N 1.75 5.17 -1.82 4.39 2.15 -1.26 -4.46 116.67 122.59 1iku s ASP 163 Ca 0.00 -0.25 0.00 0.00 0.43 0.00 0.00 52.55 52.73 1iku s ASP 163 Cb 0.00 -1.25 0.00 0.00 -0.30 0.00 0.00 42.92 41.37 1iku s ASP 163 CO 0.00 0.08 0.00 0.47 -0.17 0.00 0.00 175.17 175.55 1iku n ASP 164 N -0.21 -5.15 -0.96 -0.34 9.92 -1.26 -4.97 116.55 113.58 1iku n ASP 164 Ca -0.09 0.36 0.00 0.00 -0.53 0.00 0.00 54.79 54.53 1iku n ASP 164 Cb 0.55 -4.22 0.00 0.00 -0.64 0.00 0.00 41.12 36.81 1iku n ASP 164 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1iku n ASP 165 N -0.97 0.03 -3.99 -2.24 9.92 -1.26 -5.12 116.55 112.92 1iku n ASP 165 Ca -0.18 -0.48 -0.10 0.00 -0.53 0.00 0.00 54.79 53.49 1iku n ASP 165 Cb 0.60 0.00 -0.07 0.00 -0.64 0.00 0.00 41.12 41.01 1iku n ASP 165 CO 0.00 0.00 0.00 -1.59 0.13 0.00 0.00 177.20 175.74 1iku s LYS 166 N 0.59 1.48 -0.02 -1.24 0.00 -1.26 -4.62 119.74 114.67 1iku s LYS 166 Ca 0.00 -1.41 0.06 0.00 0.00 0.00 0.00 55.97 54.62 1iku s LYS 166 Cb 0.00 0.41 -0.01 0.00 0.00 0.00 0.00 37.83 38.22 1iku s LYS 166 CO 0.00 -0.58 -0.20 -0.51 0.00 0.00 0.00 175.35 174.05 1iku s LEU 167 N -3.08 2.03 0.48 2.77 1.43 -0.49 -4.96 118.68 116.86 1iku s LEU 167 Ca 0.28 -0.37 0.06 0.00 -1.03 0.00 0.00 54.13 53.06 1iku s LEU 167 Cb 0.02 -1.06 0.03 0.00 0.03 0.00 0.00 46.19 45.20 1iku s LEU 167 CO 0.11 0.24 0.66 0.42 0.23 0.00 0.00 176.35 178.02 1iku s THR 168 N -0.43 2.81 0.00 5.49 -4.23 -1.26 -1.67 115.64 116.35 1iku s THR 168 Ca 0.06 -0.88 0.00 0.00 -1.18 0.00 0.00 61.69 59.69 1iku s THR 168 Cb -0.08 -2.93 0.00 0.00 1.34 0.00 0.00 72.50 70.83 1iku s THR 168 CO -0.00 0.00 0.59 1.21 -0.54 0.00 0.00 174.62 175.87 1iku n GLU 169 N -2.06 0.00 0.26 3.99 2.13 -1.23 0.24 120.64 123.97 1iku n GLU 169 Ca 0.09 0.59 0.16 0.00 0.66 0.00 0.00 57.16 58.66 1iku n GLU 169 Cb 0.59 -1.07 0.87 0.00 0.27 0.00 0.00 31.44 32.10 1iku n GLU 169 CO 0.00 0.00 0.00 1.57 -0.41 0.00 0.00 177.13 178.29 1iku h LYS 170 N 0.00 0.00 0.25 5.31 2.10 -1.96 -2.53 116.57 119.74 1iku h LYS 170 Ca 0.00 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.64 1iku h LYS 170 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1iku h LYS 170 CO 0.00 0.00 -0.12 1.49 -2.00 0.00 0.00 179.45 178.82 1iku h GLU 171 N 0.00 -0.32 -0.70 0.07 4.57 -0.57 -0.57 114.58 117.06 1iku h GLU 171 Ca 0.00 0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.18 1iku h GLU 171 Cb 0.12 0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 28.75 1iku h GLU 171 CO 0.00 0.04 0.36 0.35 -1.18 0.00 0.00 179.01 178.58 1iku h PHE 172 N -0.80 0.98 0.16 0.92 3.04 -0.36 0.58 116.94 121.47 1iku h PHE 172 Ca -0.03 -0.04 -0.01 0.00 3.98 0.00 0.00 57.97 61.87 1iku h PHE 172 Cb 0.51 -0.31 0.00 0.00 2.56 0.00 0.00 35.95 38.71 1iku h PHE 172 CO 0.05 0.71 -0.08 0.82 -2.02 0.00 0.00 178.31 177.79 1iku h ILE 173 N 0.96 0.90 -0.03 1.41 1.08 -1.53 -2.72 117.51 117.58 1iku h ILE 173 Ca 0.24 -0.28 -0.09 0.00 -0.39 0.00 0.00 64.86 64.34 1iku h ILE 173 Cb 0.08 1.08 -0.01 0.00 -3.07 0.00 0.00 36.82 34.89 1iku h ILE 173 CO -0.03 0.07 -0.42 -0.08 -0.69 0.00 0.00 178.15 177.00 1iku h GLU 174 N -0.35 0.07 -0.86 2.37 4.57 -0.97 -1.96 114.58 117.44 1iku h GLU 174 Ca -0.02 -0.03 0.11 0.00 -1.18 0.00 0.00 59.36 58.24 1iku h GLU 174 Cb 0.28 -0.00 -0.08 0.00 -0.16 0.00 0.00 28.75 28.79 1iku h GLU 174 CO 0.04 0.47 0.49 0.78 -1.18 0.00 0.00 179.01 179.61 1iku h GLY 175 N 1.25 1.35 0.00 1.92 0.00 0.46 0.22 103.07 108.27 1iku h GLY 175 Ca 0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 47.33 46.99 1iku h GLY 175 CO 0.06 0.11 -0.27 -0.91 0.00 0.00 0.00 176.54 175.52 1iku h THR 176 N 0.79 0.30 0.00 4.70 1.35 -1.31 -3.34 112.91 115.40 1iku h THR 176 Ca 0.42 -1.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.02 1iku h THR 176 Cb 0.43 0.61 0.00 0.00 -1.73 0.00 0.00 68.15 67.46 1iku h THR 176 CO -0.27 0.10 0.09 -0.11 -0.25 0.00 0.00 175.52 175.08 1iku n LEU 177 N -4.68 0.32 -0.01 3.87 7.94 -0.76 -2.30 117.00 121.39 1iku n LEU 177 Ca -0.06 0.60 -0.12 0.00 -1.11 0.00 0.00 56.01 55.32 1iku n LEU 177 Cb 0.20 -0.62 -0.09 0.00 0.53 0.00 0.00 43.42 43.44 1iku n LEU 177 CO 0.09 -0.71 0.43 0.00 -1.11 0.00 0.00 177.39 176.09 1iku h ALA 178 N 1.72 -0.08 -2.04 1.96 0.00 -0.68 -3.47 119.26 116.67 1iku h ALA 178 Ca 0.00 -0.31 -0.53 0.00 0.00 0.00 0.00 54.91 54.07 1iku h ALA 178 Cb 0.19 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.93 1iku h ALA 178 CO 0.00 -0.17 -0.56 -0.80 0.00 0.00 0.00 179.25 177.72 1iku s ASN 179 N -5.78 4.87 0.03 0.00 0.02 -0.97 -5.03 114.94 108.08 1iku s ASN 179 Ca -0.15 -0.60 0.16 0.00 -1.02 0.00 0.00 52.86 51.25 1iku s ASN 179 Cb -0.00 -0.93 -0.16 0.00 0.02 0.00 0.00 41.25 40.18 1iku s ASN 179 CO 0.56 -0.16 0.77 0.29 0.02 0.00 0.00 177.10 178.58 1iku n LYS 180 N -1.10 0.62 0.05 -0.60 5.02 -1.26 -3.73 118.16 117.17 1iku n LYS 180 Ca -0.05 0.24 -0.02 0.00 -2.02 0.00 0.00 58.31 56.46 1iku n LYS 180 Cb 0.60 -1.80 -0.01 0.00 -0.02 0.00 0.00 35.03 33.80 1iku n LYS 180 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1iku h GLU 181 N 0.00 -0.15 -0.71 1.97 4.39 -1.96 -0.62 114.58 117.51 1iku h GLU 181 Ca -0.20 0.01 0.15 0.00 0.34 0.00 0.00 59.36 59.66 1iku h GLU 181 Cb 1.71 0.03 -0.12 0.00 -0.10 0.00 0.00 28.75 30.27 1iku h GLU 181 CO 0.05 -0.10 -0.01 0.82 -1.16 0.00 0.00 179.01 178.61 1iku h ILE 182 N -0.15 0.38 -1.02 3.13 2.04 -1.89 1.24 117.51 121.24 1iku h ILE 182 Ca -0.01 -0.03 0.26 0.00 1.00 0.00 0.00 64.86 66.07 1iku h ILE 182 Cb 0.12 0.28 -0.09 0.00 -0.74 0.00 0.00 36.82 36.39 1iku h ILE 182 CO 0.01 0.02 0.66 0.25 0.00 0.00 0.00 178.15 179.09 1iku h LEU 183 N 0.10 0.45 -0.36 1.44 5.85 -1.60 1.57 115.31 122.76 1iku h LEU 183 Ca 0.38 0.08 -0.10 0.00 0.84 0.00 0.00 57.88 59.07 1iku h LEU 183 Cb 0.64 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 1iku h LEU 183 CO -0.63 0.10 -0.50 -0.09 -0.34 0.00 0.00 178.44 176.99 1iku h ARG 184 N 0.41 0.00 0.00 1.25 9.65 0.31 0.19 114.38 126.19 1iku h ARG 184 Ca 0.58 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.46 1iku h ARG 184 Cb 1.45 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 30.03 1iku h ARG 184 CO -0.28 0.50 -0.35 -0.07 2.80 0.00 0.00 179.97 182.56 1iku h LEU 185 N 0.00 0.00 0.00 3.80 3.38 0.39 -3.38 115.31 119.50 1iku h LEU 185 Ca -0.00 -0.06 -0.12 0.00 0.09 0.00 0.00 57.88 57.78 1iku h LEU 185 Cb 1.23 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.97 1iku h LEU 185 CO 0.06 0.03 -1.30 0.00 0.09 0.00 0.00 178.44 177.33 1iku n ILE 186 N -2.50 1.50 -2.21 1.22 0.00 0.29 -4.68 119.36 112.99 1iku n ILE 186 Ca 0.04 0.02 -0.32 0.00 0.00 0.00 0.00 62.75 62.49 1iku n ILE 186 Cb 0.48 -2.23 -0.04 0.00 0.00 0.00 0.00 39.64 37.84 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 -2.68 2.90 0.13 9.51 0.74 0.67 -4.91 119.66 126.01 1iku s GLN 187 Ca -0.29 -1.34 -0.25 0.00 0.05 0.00 0.00 55.36 53.53 1iku s GLN 187 Cb 0.06 -5.31 -0.14 0.00 1.10 0.00 0.00 33.01 28.72 1iku s GLN 187 CO 0.42 -3.49 0.51 0.34 -0.55 0.00 0.00 175.29 172.52 1iku n PHE 188 N 12.75 -0.21 0.00 1.67 7.35 -1.26 -4.82 117.46 132.94 1iku n PHE 188 Ca 0.45 0.80 0.00 0.00 -0.76 0.00 0.00 57.45 57.94 1iku n PHE 188 Cb 0.47 -1.60 0.00 0.00 0.35 0.00 0.00 39.48 38.69 1iku n PHE 188 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39