#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 1.70 0.04 1.61 4.22 -1.26 -5.06 114.94 116.19 1iku s ASN 3 Ca 0.00 -1.39 -0.11 0.00 -2.14 0.00 0.00 52.86 49.22 1iku s ASN 3 Cb 0.00 0.07 -0.33 0.00 1.28 0.00 0.00 41.25 42.27 1iku s ASN 3 CO 0.00 -0.68 1.04 0.28 -2.04 0.00 0.00 177.10 175.69 1iku h SER 4 N 2.26 0.68 -0.69 3.54 0.02 -1.99 -3.13 113.55 114.24 1iku h SER 4 Ca -0.39 -0.74 0.10 0.00 -0.84 0.00 0.00 61.79 59.92 1iku h SER 4 Cb 1.25 -0.22 -0.07 0.00 0.14 0.00 0.00 62.40 63.49 1iku h SER 4 CO 0.64 1.58 0.32 0.07 -1.14 0.00 0.00 176.83 178.31 1iku h LYS 5 N 0.12 0.53 0.00 3.45 2.10 -1.97 0.59 116.57 121.39 1iku h LYS 5 Ca -0.22 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.40 1iku h LYS 5 Cb 2.10 -0.12 0.00 0.00 -0.90 0.00 0.00 32.23 33.31 1iku h LYS 5 CO 0.25 0.35 0.00 0.43 -2.00 0.00 0.00 179.45 178.48 1iku n SER 6 N -4.90 0.37 0.01 7.07 7.64 -1.24 -2.62 113.62 119.94 1iku n SER 6 Ca 0.11 0.57 -0.17 0.00 1.01 0.00 0.00 58.87 60.39 1iku n SER 6 Cb 0.29 -0.66 -0.07 0.00 -1.01 0.00 0.00 64.21 62.76 1iku n SER 6 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1iku h GLY 7 N 3.21 0.76 0.64 0.23 0.00 0.23 -3.22 103.07 104.93 1iku h GLY 7 Ca 0.00 -1.17 0.04 0.00 0.00 0.00 0.00 47.33 46.20 1iku h GLY 7 CO 0.00 1.04 0.06 0.00 0.00 0.00 0.00 176.54 177.64 1iku h ALA 8 N 0.58 0.32 -1.13 3.60 0.00 -1.16 -0.60 119.26 120.86 1iku h ALA 8 Ca -0.07 0.06 0.36 0.00 0.00 0.00 0.00 54.91 55.25 1iku h ALA 8 Cb 1.50 0.07 -0.13 0.00 0.00 0.00 0.00 17.79 19.23 1iku h ALA 8 CO 0.17 -0.35 0.70 -0.07 0.00 0.00 0.00 179.25 179.70 1iku h LEU 9 N 0.17 0.39 -0.49 0.00 3.38 -1.63 1.27 115.31 118.39 1iku h LEU 9 Ca 0.14 0.15 -0.16 0.00 0.09 0.00 0.00 57.88 58.10 1iku h LEU 9 Cb 0.15 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1iku h LEU 9 CO -0.19 -0.13 -0.57 0.28 0.09 0.00 0.00 178.44 177.93 1iku h SER 10 N 0.23 0.63 -0.68 -0.43 0.02 -1.20 -1.39 113.55 110.71 1iku h SER 10 Ca 0.75 -0.34 -0.05 0.00 -0.84 0.00 0.00 61.79 61.31 1iku h SER 10 Cb 2.02 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 64.35 1iku h SER 10 CO -0.48 1.06 0.25 0.50 -1.14 0.00 0.00 176.83 177.01 1iku h LYS 11 N 0.43 1.04 -0.17 3.45 3.64 0.19 0.21 116.57 125.37 1iku h LYS 11 Ca 0.00 -0.21 -0.10 0.00 -1.27 0.00 0.00 60.65 59.08 1iku h LYS 11 Cb 1.12 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.78 1iku h LYS 11 CO 0.11 0.88 -0.28 0.93 -2.27 0.00 0.00 179.45 178.82 1iku h GLU 12 N 0.99 0.49 -0.75 1.90 5.08 -1.06 -0.52 114.58 120.71 1iku h GLU 12 Ca 0.22 -0.30 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 1iku h GLU 12 Cb 0.25 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.50 1iku h GLU 12 CO -0.01 0.90 0.25 0.82 -1.00 0.00 0.00 179.01 179.96 1iku h ILE 13 N 0.13 1.26 0.00 3.13 2.04 -1.10 -0.73 117.51 122.24 1iku h ILE 13 Ca 0.01 -0.90 -0.10 0.00 1.00 0.00 0.00 64.86 64.87 1iku h ILE 13 Cb 0.86 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 1iku h ILE 13 CO 0.06 0.36 -0.48 -0.07 0.00 0.00 0.00 178.15 178.02 1iku h LEU 14 N 1.12 0.00 -0.45 1.44 3.38 -0.55 0.21 115.31 120.45 1iku h LEU 14 Ca 0.24 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.04 1iku h LEU 14 Cb 0.29 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1iku h LEU 14 CO -0.01 0.48 -0.75 -0.08 0.09 0.00 0.00 178.44 178.17 1iku h GLU 15 N 0.00 0.21 0.00 1.13 4.22 -0.41 -3.16 114.58 116.58 1iku h GLU 15 Ca -0.00 -0.19 -0.15 0.00 0.08 0.00 0.00 59.36 59.09 1iku h GLU 15 Cb 0.94 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.21 1iku h GLU 15 CO 0.06 0.87 -1.18 0.93 -2.18 0.00 0.00 179.01 177.51 1iku h GLU 16 N 0.14 0.00 0.00 1.92 4.39 -0.93 -3.40 114.58 116.70 1iku h GLU 16 Ca -0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1iku h GLU 16 Cb 1.32 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.97 1iku h GLU 16 CO 0.11 0.36 0.00 -0.11 -1.16 0.00 0.00 179.01 178.22 1iku n LEU 17 N -2.98 0.00 0.00 1.33 7.94 0.71 -4.78 117.00 119.22 1iku n LEU 17 Ca -0.07 0.55 0.00 0.00 -1.11 0.00 0.00 56.01 55.39 1iku n LEU 17 Cb 0.82 -0.05 0.00 0.00 0.53 0.00 0.00 43.42 44.71 1iku n LEU 17 CO 0.42 -0.05 0.00 1.67 -1.11 0.00 0.00 177.39 178.32 1iku n GLN 18 N -1.17 0.00 0.00 1.96 7.27 -1.26 -4.81 117.38 119.37 1iku n GLN 18 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 1iku n GLN 18 Cb 0.00 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 -3.15 1.69 4.77 -1.25 -5.02 117.00 114.04 1iku n LEU 19 Ca 0.00 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.03 1iku n LEU 19 Cb 0.05 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.12 1iku n LEU 19 CO 0.00 0.00 0.50 0.21 -1.33 0.00 0.00 177.39 176.77 1iku s ASN 20 N -1.00 -0.63 -0.08 -1.43 3.84 -1.26 -4.79 114.94 109.59 1iku s ASN 20 Ca 0.00 0.37 -0.04 0.00 0.21 0.00 0.00 52.86 53.40 1iku s ASN 20 Cb 0.00 1.52 0.04 0.00 -0.55 0.00 0.00 41.25 42.26 1iku s ASN 20 CO 0.00 -0.12 0.18 0.28 -2.79 0.00 0.00 177.10 174.65 1iku s THR 21 N 2.94 -0.04 0.00 -5.21 -1.32 -1.26 -4.73 115.64 106.02 1iku s THR 21 Ca 0.04 0.14 0.00 0.00 -1.21 0.00 0.00 61.69 60.67 1iku s THR 21 Cb -0.11 -0.28 0.00 0.00 -1.51 0.00 0.00 72.50 70.60 1iku s THR 21 CO -0.14 0.06 0.00 0.29 -2.21 0.00 0.00 174.62 172.62 1iku n LYS 22 N 4.02 0.00 0.00 7.08 5.02 -1.26 -4.90 118.16 128.12 1iku n LYS 22 Ca -0.24 0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.10 1iku n LYS 22 Cb 0.53 -0.34 0.00 0.00 -0.02 0.00 0.00 35.03 35.20 1iku n LYS 22 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1iku n PHE 23 N -1.25 0.00 -3.69 2.13 3.72 -1.26 -4.81 117.46 112.30 1iku n PHE 23 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1iku n PHE 23 Cb 0.00 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 38.54 1iku n PHE 23 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 176.76 176.63 1iku s THR 24 N 0.00 0.00 -0.61 4.37 -1.32 -1.26 -5.01 115.64 111.81 1iku s THR 24 Ca 0.00 -0.36 0.25 0.00 -1.21 0.00 0.00 61.69 60.37 1iku s THR 24 Cb 0.00 -2.09 0.27 0.00 -1.51 0.00 0.00 72.50 69.17 1iku s THR 24 CO 0.00 0.00 1.65 1.05 -2.21 0.00 0.00 174.62 175.11 1iku h GLU 25 N 2.00 0.00 0.00 7.08 -0.00 -1.91 -3.22 114.58 118.53 1iku h GLU 25 Ca -0.28 0.00 -0.17 0.00 -0.00 0.00 0.00 59.36 58.91 1iku h GLU 25 Cb 1.21 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 29.94 1iku h GLU 25 CO 0.28 0.00 -0.81 0.93 -0.00 0.00 0.00 179.01 179.41 1iku h GLU 26 N 0.00 0.01 -0.03 1.06 5.08 -1.95 -2.33 114.58 116.43 1iku h GLU 26 Ca 0.00 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1iku h GLU 26 Cb 0.84 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.09 1iku h GLU 26 CO 0.00 0.81 -0.03 1.49 -1.00 0.00 0.00 179.01 180.29 1iku h GLU 27 N 0.01 0.07 -0.79 2.33 4.57 -1.96 -2.57 114.58 116.23 1iku h GLU 27 Ca -0.01 -0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 58.10 1iku h GLU 27 Cb 1.43 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.99 1iku h GLU 27 CO 0.11 0.54 0.34 -0.07 -1.18 0.00 0.00 179.01 178.74 1iku h LEU 28 N -0.41 1.07 -0.42 1.64 3.38 -1.64 -0.24 115.31 118.70 1iku h LEU 28 Ca 0.00 -0.16 0.07 0.00 0.09 0.00 0.00 57.88 57.89 1iku h LEU 28 Cb 0.53 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.94 1iku h LEU 28 CO 0.01 0.94 0.05 -1.28 0.09 0.00 0.00 178.44 178.24 1iku h SER 29 N 1.14 -0.07 0.18 -0.43 0.87 -1.38 1.07 113.55 114.92 1iku h SER 29 Ca 0.27 0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.90 1iku h SER 29 Cb 0.18 0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.28 1iku h SER 29 CO -0.03 -0.00 -0.08 0.28 -0.53 0.00 0.00 176.83 176.47 1iku h SER 30 N 0.17 -0.20 0.43 6.23 0.02 -1.07 -2.84 113.55 116.28 1iku h SER 30 Ca 0.21 -0.26 -0.02 0.00 -0.84 0.00 0.00 61.79 60.88 1iku h SER 30 Cb 0.28 0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.87 1iku h SER 30 CO -0.30 0.18 -0.24 -0.25 -1.14 0.00 0.00 176.83 175.08 1iku h TRP 31 N -0.60 -0.62 -0.18 3.45 7.01 -0.71 -2.15 115.95 122.15 1iku h TRP 31 Ca -0.02 -0.01 0.02 0.00 2.11 0.00 0.00 58.89 60.98 1iku h TRP 31 Cb 0.45 0.21 -0.02 0.00 -2.10 0.00 0.00 29.16 27.70 1iku h TRP 31 CO 0.04 -0.36 -0.10 0.98 -2.79 0.00 0.00 178.44 176.20 1iku n TYR 32 N -3.77 -0.08 -0.02 2.65 9.36 0.37 0.12 117.16 125.79 1iku n TYR 32 Ca -0.08 0.22 -0.10 0.00 3.32 0.00 0.00 57.90 61.26 1iku n TYR 32 Cb 0.25 -0.41 -0.04 0.00 -0.63 0.00 0.00 39.34 38.51 1iku n TYR 32 CO 0.00 0.00 0.00 1.96 0.22 0.00 0.00 176.86 179.04 1iku h GLN 33 N 0.00 -0.36 0.00 2.98 4.20 -1.54 0.14 115.11 120.53 1iku h GLN 33 Ca 0.03 0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.76 1iku h GLN 33 Cb 0.07 0.08 -0.00 0.00 0.30 0.00 0.00 27.48 27.93 1iku h GLN 33 CO -0.16 -0.24 -0.01 0.66 -0.67 0.00 0.00 178.83 178.41 1iku h SER 34 N -0.37 0.00 -0.01 1.46 4.64 -0.29 0.62 113.55 119.60 1iku h SER 34 Ca 0.11 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.34 1iku h SER 34 Cb 0.54 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.64 1iku h SER 34 CO -0.39 0.01 -0.34 0.15 -0.87 0.00 0.00 176.83 175.39 1iku h PHE 35 N 0.00 0.35 0.00 4.77 3.57 0.34 -2.75 116.94 123.23 1iku h PHE 35 Ca -0.00 -0.19 0.00 0.00 3.53 0.00 0.00 57.97 61.31 1iku h PHE 35 Cb 0.02 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 38.72 1iku h PHE 35 CO 0.00 0.99 -0.17 -0.07 -2.23 0.00 0.00 178.31 176.83 1iku h LEU 36 N -0.38 0.00 -0.13 0.59 3.38 -0.60 -2.92 115.31 115.25 1iku h LEU 36 Ca -0.04 -0.02 -0.23 0.00 0.09 0.00 0.00 57.88 57.68 1iku h LEU 36 Cb 1.08 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.84 1iku h LEU 36 CO 0.07 0.01 -0.81 0.50 0.09 0.00 0.00 178.44 178.30 1iku h LYS 37 N 0.00 0.77 -0.09 1.13 1.63 0.19 -3.28 116.57 116.92 1iku h LYS 37 Ca 0.00 -0.66 -0.09 0.00 -0.85 0.00 0.00 60.65 59.05 1iku h LYS 37 Cb 0.89 0.15 0.00 0.00 -0.60 0.00 0.00 32.23 32.67 1iku h LYS 37 CO 0.00 1.26 -0.28 1.49 -3.45 0.00 0.00 179.45 178.47 1iku h GLU 38 N 0.49 0.35 -7.20 1.90 4.81 -1.52 -3.45 114.58 109.97 1iku h GLU 38 Ca -0.07 -0.26 -0.54 0.00 -0.13 0.00 0.00 59.36 58.37 1iku h GLU 38 Cb 1.44 0.04 0.18 0.00 0.63 0.00 0.00 28.75 31.05 1iku h GLU 38 CO 0.17 0.88 0.35 0.00 -0.73 0.00 0.00 179.01 179.67 1iku h PRO 40 N -0.85 -0.57 0.00 0.00 0.10 -1.86 -3.38 132.00 125.44 1iku h PRO 40 Ca -0.46 0.04 -0.04 0.00 0.10 0.00 0.00 66.00 65.64 1iku h PRO 40 Cb 1.30 0.13 -0.09 0.00 0.10 0.00 0.00 31.00 32.44 1iku h PRO 40 CO 0.46 -0.38 -0.57 0.45 0.10 0.00 0.00 178.00 178.07 1iku n SER 41 N -4.13 0.53 0.00 -2.05 2.88 -1.26 -4.94 113.62 104.64 1iku n SER 41 Ca -0.07 -2.18 0.00 0.00 -1.33 0.00 0.00 58.87 55.29 1iku n SER 41 Cb 0.27 -0.26 0.00 0.00 -0.75 0.00 0.00 64.21 63.47 1iku n SER 41 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1iku n GLY 42 N -0.08 1.10 3.56 0.46 0.00 -1.26 -4.83 105.19 104.13 1iku n GLY 42 Ca 0.04 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.61 3.54 0.13 1.61 0.52 -1.26 -0.68 118.95 122.20 1iku s ARG 43 Ca 0.00 -0.00 0.09 0.00 -0.52 0.00 0.00 55.73 55.29 1iku s ARG 43 Cb 0.00 -3.88 -0.04 0.00 0.52 0.00 0.00 34.95 31.55 1iku s ARG 43 CO 0.00 -0.94 -0.16 0.96 0.02 0.00 0.00 175.30 175.18 1iku s ILE 44 N 3.03 2.95 0.51 1.52 -4.36 -0.26 -4.77 121.20 119.82 1iku s ILE 44 Ca 0.28 -1.53 0.04 0.00 -0.26 0.00 0.00 60.65 59.18 1iku s ILE 44 Cb -0.13 -2.38 0.03 0.00 1.25 0.00 0.00 42.46 41.23 1iku s ILE 44 CO 0.19 0.05 0.70 0.42 0.24 0.00 0.00 174.94 176.55 1iku s THR 45 N -1.28 2.75 0.07 8.37 -4.23 -1.26 -1.44 115.64 118.62 1iku s THR 45 Ca 0.20 -0.81 -0.36 0.00 -1.18 0.00 0.00 61.69 59.54 1iku s THR 45 Cb -0.10 -2.95 -0.20 0.00 1.34 0.00 0.00 72.50 70.59 1iku s THR 45 CO 0.11 0.00 1.58 0.08 -0.54 0.00 0.00 174.62 175.86 1iku h ARG 46 N 0.27 -1.16 -1.71 3.99 0.11 -1.94 0.86 114.38 114.80 1iku h ARG 46 Ca -0.41 0.08 0.50 0.00 0.10 0.00 0.00 59.98 60.26 1iku h ARG 46 Cb 1.29 0.26 -0.08 0.00 1.11 0.00 0.00 29.97 32.56 1iku h ARG 46 CO 0.48 -0.77 1.22 1.96 0.10 0.00 0.00 179.97 182.96 1iku h GLN 47 N -1.20 0.01 0.00 0.08 4.20 -1.95 0.11 115.11 116.35 1iku h GLN 47 Ca -0.12 -0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.50 1iku h GLN 47 Cb 0.93 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.70 1iku h GLN 47 CO 0.17 0.01 -0.58 0.93 -0.67 0.00 0.00 178.83 178.69 1iku h GLU 48 N 0.01 0.00 -0.75 1.46 4.39 -1.78 -3.27 114.58 114.64 1iku h GLU 48 Ca 0.83 0.00 0.14 0.00 0.34 0.00 0.00 59.36 60.67 1iku h GLU 48 Cb 3.28 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 31.83 1iku h GLU 48 CO -0.05 0.66 0.30 0.35 -1.16 0.00 0.00 179.01 179.11 1iku h PHE 49 N -1.00 0.51 -0.77 4.33 3.57 0.12 -0.28 116.94 123.43 1iku h PHE 49 Ca -0.13 0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.43 1iku h PHE 49 Cb 0.88 -0.11 -0.05 0.00 2.79 0.00 0.00 35.95 39.46 1iku h PHE 49 CO 0.07 0.07 0.49 0.37 -2.23 0.00 0.00 178.31 177.08 1iku h GLN 50 N 0.45 0.93 -0.46 1.11 4.15 -1.05 -0.53 115.11 119.71 1iku h GLN 50 Ca 0.41 -0.06 -0.07 0.00 0.77 0.00 0.00 58.65 59.71 1iku h GLN 50 Cb 0.61 -0.21 -0.02 0.00 0.21 0.00 0.00 27.48 28.07 1iku h GLN 50 CO -0.40 0.62 0.00 1.15 -1.93 0.00 0.00 178.83 178.27 1iku h THR 51 N 0.96 1.24 -0.14 2.39 2.02 -1.14 -1.83 112.91 116.40 1iku h THR 51 Ca 0.31 -0.96 -0.15 0.00 0.77 0.00 0.00 66.41 66.37 1iku h THR 51 Cb 0.00 0.89 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 1iku h THR 51 CO -0.11 0.34 -0.54 0.40 0.37 0.00 0.00 175.52 175.98 1iku h ILE 52 N 0.70 1.34 -0.12 3.11 2.04 -0.49 -1.18 117.51 122.91 1iku h ILE 52 Ca 0.14 -1.80 -0.16 0.00 1.00 0.00 0.00 64.86 64.04 1iku h ILE 52 Cb 0.43 1.82 -0.01 0.00 -0.74 0.00 0.00 36.82 38.32 1iku h ILE 52 CO 0.02 0.55 -0.59 0.22 0.00 0.00 0.00 178.15 178.34 1iku h TYR 53 N 0.32 0.50 0.00 1.37 3.20 -0.81 -2.32 116.97 119.22 1iku h TYR 53 Ca 0.01 -0.19 -0.10 0.00 3.14 0.00 0.00 58.73 61.59 1iku h TYR 53 Cb 1.05 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 39.21 1iku h TYR 53 CO 0.03 0.89 -0.60 1.03 -1.64 0.00 0.00 178.16 177.87 1iku h SER 54 N 0.29 0.00 1.02 -2.11 0.87 -1.26 -2.09 113.55 110.28 1iku h SER 54 Ca -0.00 0.00 -0.19 0.00 -1.23 0.00 0.00 61.79 60.37 1iku h SER 54 Cb 1.12 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.05 1iku h SER 54 CO 0.10 0.45 -0.91 0.50 -0.53 0.00 0.00 176.83 176.44 1iku h LYS 55 N 0.00 0.00 0.03 2.24 3.64 -1.12 -3.19 116.57 118.17 1iku h LYS 55 Ca -0.03 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 59.04 1iku h LYS 55 Cb 1.36 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.14 1iku h LYS 55 CO 0.05 0.91 -1.83 1.19 -2.27 0.00 0.00 179.45 177.50 1iku n PHE 56 N -3.37 1.01 -3.74 1.91 3.01 -0.88 -4.62 117.46 110.78 1iku n PHE 56 Ca 0.00 0.31 -0.28 0.00 1.01 0.00 0.00 57.45 58.50 1iku n PHE 56 Cb 0.89 -1.17 -0.11 0.00 -0.01 0.00 0.00 39.48 39.08 1iku n PHE 56 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 1iku s PHE 57 N -2.58 2.79 0.03 1.38 0.08 -0.79 -4.60 117.98 114.30 1iku s PHE 57 Ca -0.10 -3.02 -0.30 0.00 0.12 0.00 0.00 56.93 53.63 1iku s PHE 57 Cb 0.08 -2.14 -0.17 0.00 -0.57 0.00 0.00 43.02 40.22 1iku s PHE 57 CO 0.81 -0.63 1.34 -1.35 -0.10 0.00 0.00 175.22 175.28 1iku h PRO 58 N 5.47 -0.87 -0.97 0.24 0.11 -1.79 -2.92 132.00 131.27 1iku h PRO 58 Ca 0.19 0.06 0.21 0.00 0.11 0.00 0.00 66.00 66.56 1iku h PRO 58 Cb 0.80 0.20 -0.09 0.00 0.11 0.00 0.00 31.00 32.03 1iku h PRO 58 CO 0.61 -0.55 0.62 0.93 -0.21 0.00 0.00 178.00 179.40 1iku h GLU 59 N -1.09 0.53 -6.36 1.05 5.08 -1.90 -3.39 114.58 108.51 1iku h GLU 59 Ca -0.09 -0.03 -0.55 0.00 -1.00 0.00 0.00 59.36 57.69 1iku h GLU 59 Cb 0.73 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 1iku h GLU 59 CO 0.15 0.35 0.65 0.00 -1.00 0.00 0.00 179.01 179.16 1iku s ALA 60 N -5.60 3.45 0.98 3.43 0.00 -1.10 -4.98 121.76 117.94 1iku s ALA 60 Ca -0.09 0.67 -0.15 0.00 0.00 0.00 0.00 51.96 52.39 1iku s ALA 60 Cb 0.24 -3.49 -0.06 0.00 0.00 0.00 0.00 23.12 19.81 1iku s ALA 60 CO 0.79 -0.65 -0.24 -0.25 0.00 0.00 0.00 175.76 175.41 1iku n ASP 61 N 4.81 -4.09 0.28 0.00 9.92 -1.26 -4.72 116.55 121.49 1iku n ASP 61 Ca 0.10 0.24 0.16 0.00 -0.53 0.00 0.00 54.79 54.76 1iku n ASP 61 Cb 0.46 -0.97 0.83 0.00 -0.64 0.00 0.00 41.12 40.81 1iku n ASP 61 CO 0.00 0.00 0.00 -0.65 0.13 0.00 0.00 177.20 176.68 1iku h PRO 62 N -1.28 0.00 -0.69 -0.24 0.10 -1.89 -3.23 132.00 124.77 1iku h PRO 62 Ca -0.44 0.00 -0.28 0.00 0.10 0.00 0.00 66.00 65.38 1iku h PRO 62 Cb 1.29 0.00 -0.20 0.00 0.10 0.00 0.00 31.00 32.20 1iku h PRO 62 CO 0.28 0.00 -0.61 1.63 0.10 0.00 0.00 178.00 179.40 1iku n LYS 63 N -2.71 0.67 0.00 1.05 5.02 -1.26 -4.81 118.16 116.12 1iku n LYS 63 Ca -0.02 -2.12 0.00 0.00 -2.02 0.00 0.00 58.31 54.15 1iku n LYS 63 Cb 0.22 -1.44 0.00 0.00 -0.02 0.00 0.00 35.03 33.79 1iku n LYS 63 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1iku n ALA 64 N 2.00 0.00 -0.06 7.82 0.00 -1.22 -4.54 120.51 124.50 1iku n ALA 64 Ca 0.14 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.55 1iku n ALA 64 Cb 0.59 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.02 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 0.00 0.00 0.00 3.20 -1.95 -3.31 116.97 114.91 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 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.27 1iku h TYR 65 CO 0.00 0.10 0.31 0.00 -1.64 0.00 0.00 178.16 176.93 1iku n ALA 66 N -3.18 0.42 -0.24 1.82 0.00 -1.26 -1.37 120.51 116.70 1iku n ALA 66 Ca -0.05 0.01 0.03 0.00 0.00 0.00 0.00 53.44 53.44 1iku n ALA 66 Cb 0.17 -0.44 0.16 0.00 0.00 0.00 0.00 19.45 19.34 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 0.41 -0.02 0.00 4.15 -1.80 0.90 115.11 118.75 1iku h GLN 67 Ca 0.00 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.38 1iku h GLN 67 Cb 0.62 -0.09 -0.00 0.00 0.21 0.00 0.00 27.48 28.22 1iku h GLN 67 CO 0.00 0.27 -0.03 1.25 -1.93 0.00 0.00 178.83 178.40 1iku h HIS 68 N 0.43 0.07 0.16 3.99 2.76 -1.48 -1.65 115.15 119.43 1iku h HIS 68 Ca 0.38 -0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.54 1iku h HIS 68 Cb 0.54 -0.02 -0.04 0.00 1.55 0.00 0.00 27.41 29.45 1iku h HIS 68 CO -0.17 0.56 -0.47 0.28 -1.30 0.00 0.00 177.93 176.82 1iku h VAL 69 N -0.43 0.08 -0.55 5.26 2.07 -1.56 0.27 116.25 121.40 1iku h VAL 69 Ca 0.00 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.60 1iku h VAL 69 Cb 0.55 0.08 -0.06 0.00 -1.52 0.00 0.00 31.29 30.33 1iku h VAL 69 CO 0.01 0.00 0.19 0.15 0.02 0.00 0.00 177.57 177.94 1iku h PHE 70 N -0.74 0.34 -0.85 1.57 3.57 -0.92 0.52 116.94 120.43 1iku h PHE 70 Ca 0.00 0.03 0.10 0.00 3.53 0.00 0.00 57.97 61.63 1iku h PHE 70 Cb 0.74 -0.07 -0.06 0.00 2.79 0.00 0.00 35.95 39.35 1iku h PHE 70 CO -0.39 0.09 0.55 -0.09 -2.23 0.00 0.00 178.31 176.24 1iku h ARG 71 N 0.37 0.77 0.27 1.11 2.43 -0.42 -0.32 114.38 118.58 1iku h ARG 71 Ca 0.27 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.40 1iku h ARG 71 Cb 0.31 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.66 1iku h ARG 71 CO -0.28 0.51 -0.38 1.03 -1.51 0.00 0.00 179.97 179.34 1iku h SER 72 N 0.79 -1.06 -0.75 -3.80 0.87 0.18 -1.60 113.55 108.19 1iku h SER 72 Ca 0.40 0.10 0.01 0.00 -1.23 0.00 0.00 61.79 61.07 1iku h SER 72 Cb 0.46 0.37 -0.04 0.00 -0.44 0.00 0.00 62.40 62.76 1iku h SER 72 CO -0.16 -0.49 0.50 -0.26 -0.53 0.00 0.00 176.83 175.88 1iku h PHE 73 N -0.70 0.94 -3.00 2.24 -1.00 -1.12 -3.49 116.94 110.81 1iku h PHE 73 Ca -0.01 0.02 0.04 0.00 2.81 0.00 0.00 57.97 60.83 1iku h PHE 73 Cb 0.67 -0.32 -0.02 0.00 3.61 0.00 0.00 35.95 39.89 1iku h PHE 73 CO -0.26 0.59 -0.82 -3.47 -1.61 0.00 0.00 178.31 172.74 1iku n ASP 74 N -4.42 -6.79 -3.70 2.17 -0.08 -0.20 -4.87 116.55 98.67 1iku n ASP 74 Ca 0.08 1.48 -0.28 0.00 -1.51 0.00 0.00 54.79 54.57 1iku n ASP 74 Cb 0.03 -3.93 -0.11 0.00 2.34 0.00 0.00 41.12 39.45 1iku n ASP 74 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1iku n ALA 75 N -2.59 3.23 -1.00 -1.67 0.00 -1.26 -4.78 120.51 112.44 1iku n ALA 75 Ca -0.01 -4.03 0.00 0.00 0.00 0.00 0.00 53.44 49.40 1iku n ALA 75 Cb 0.41 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.94 1iku n ALA 75 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1iku n ASN 76 N 2.21 -0.30 0.00 0.00 0.23 -1.26 -4.31 115.26 111.84 1iku n ASN 76 Ca 0.24 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.29 1iku n ASN 76 Cb 0.40 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.10 1iku n ASN 76 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 1iku n SER 77 N -0.45 0.00 -0.53 0.53 7.64 -1.26 0.10 113.62 119.65 1iku n SER 77 Ca 0.00 0.53 0.43 0.00 1.01 0.00 0.00 58.87 60.84 1iku n SER 77 Cb 0.00 -0.07 0.73 0.00 -1.01 0.00 0.00 64.21 63.85 1iku n SER 77 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 1iku h ASP 78 N 0.00 0.13 -5.58 6.43 1.82 -2.03 -3.45 116.42 113.74 1iku h ASP 78 Ca 0.00 0.08 -0.08 0.00 -0.39 0.00 0.00 57.03 56.64 1iku h ASP 78 Cb 0.00 0.07 0.00 0.00 0.68 0.00 0.00 39.33 40.08 1iku h ASP 78 CO 0.00 -0.11 -0.27 0.61 -1.61 0.00 0.00 179.24 177.86 1iku n GLY 79 N -1.69 -1.22 3.27 -0.78 0.00 0.29 -4.98 105.19 100.08 1iku n GLY 79 Ca 0.39 0.64 -0.10 0.00 0.00 0.00 0.00 46.02 46.96 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 -2.88 0.10 -0.19 2.61 -4.23 -1.26 -3.98 115.64 105.80 1iku s THR 80 Ca 0.05 -0.82 -0.30 0.00 -1.18 0.00 0.00 61.69 59.44 1iku s THR 80 Cb -0.01 -1.25 0.15 0.00 1.34 0.00 0.00 72.50 72.73 1iku s THR 80 CO 0.78 -0.45 1.12 -1.48 -0.54 0.00 0.00 174.62 174.05 1iku s LEU 81 N -2.83 -0.25 0.37 4.79 0.05 -0.52 -4.83 118.68 115.46 1iku s LEU 81 Ca 0.04 0.24 -0.27 0.00 0.05 0.00 0.00 54.13 54.19 1iku s LEU 81 Cb 0.03 1.59 -0.10 0.00 -2.05 0.00 0.00 46.19 45.67 1iku s LEU 81 CO -0.11 -0.25 1.33 -0.62 -0.55 0.00 0.00 176.35 176.15 1iku s ASP 82 N -1.22 6.50 -0.20 1.48 -1.08 -1.26 -1.10 116.67 119.79 1iku s ASP 82 Ca 0.03 2.73 -0.19 0.00 -0.52 0.00 0.00 52.55 54.59 1iku s ASP 82 Cb -0.01 -2.65 -0.16 0.00 -1.46 0.00 0.00 42.92 38.64 1iku s ASP 82 CO -0.02 -0.73 0.11 0.33 0.52 0.00 0.00 175.17 175.38 1iku n PHE 83 N 0.44 0.93 -0.15 -5.34 7.35 0.15 -3.65 117.46 117.18 1iku n PHE 83 Ca 0.02 0.40 -0.05 0.00 -0.76 0.00 0.00 57.45 57.06 1iku n PHE 83 Cb 0.42 -1.04 0.01 0.00 0.35 0.00 0.00 39.48 39.22 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 -0.15 -0.65 -4.13 1.57 -1.93 0.16 116.57 110.45 1iku h LYS 84 Ca -0.32 0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.53 1iku h LYS 84 Cb 1.21 0.03 -0.06 0.00 0.08 0.00 0.00 32.23 33.50 1iku h LYS 84 CO -0.20 -0.10 0.34 1.49 -0.57 0.00 0.00 179.45 180.42 1iku h GLU 85 N -0.16 0.61 -0.81 3.15 4.81 -1.96 -1.19 114.58 119.03 1iku h GLU 85 Ca 0.22 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1iku h GLU 85 Cb 0.50 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 29.71 1iku h GLU 85 CO -0.58 0.40 0.49 -0.92 -0.73 0.00 0.00 179.01 177.67 1iku h TYR 86 N 0.63 1.07 -0.34 0.92 5.03 -1.04 -1.70 116.97 121.54 1iku h TYR 86 Ca 0.30 -0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.60 1iku h TYR 86 Cb 0.22 -0.35 -0.02 0.00 1.55 0.00 0.00 36.73 38.13 1iku h TYR 86 CO -0.09 0.72 0.20 0.28 -1.32 0.00 0.00 178.16 177.94 1iku h VAL 87 N 1.11 1.13 0.67 1.81 2.07 0.21 0.84 116.25 124.09 1iku h VAL 87 Ca 0.29 -0.31 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 1iku h VAL 87 Cb -0.04 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 1iku h VAL 87 CO -0.05 0.13 -0.38 0.40 0.02 0.00 0.00 177.57 177.68 1iku h ILE 88 N 0.43 0.00 -0.70 4.57 2.04 -0.89 0.40 117.51 123.36 1iku h ILE 88 Ca 0.12 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.17 1iku h ILE 88 Cb 0.03 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.08 1iku h ILE 88 CO -0.02 0.00 0.50 0.00 0.00 0.00 0.00 178.15 178.63 1iku h ALA 89 N -1.40 2.55 -0.20 1.87 0.00 -1.29 0.22 119.26 121.00 1iku h ALA 89 Ca -0.09 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.60 1iku h ALA 89 Cb 0.77 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.60 1iku h ALA 89 CO 0.11 -0.75 -0.68 1.25 0.00 0.00 0.00 179.25 179.18 1iku h LEU 90 N 0.08 0.92 0.16 0.00 7.12 -0.16 -3.29 115.31 120.14 1iku h LEU 90 Ca 0.34 -0.56 -0.01 0.00 0.13 0.00 0.00 57.88 57.78 1iku h LEU 90 Cb 1.23 -0.27 0.00 0.00 -0.53 0.00 0.00 40.66 41.09 1iku h LEU 90 CO -0.03 1.35 -0.08 0.45 -0.13 0.00 0.00 178.44 180.01 1iku h HIS 91 N 0.57 -0.20 -1.15 1.25 3.86 0.28 -3.44 115.15 116.32 1iku h HIS 91 Ca -0.02 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 1iku h HIS 91 Cb 1.30 0.07 0.00 0.00 1.06 0.00 0.00 27.41 29.84 1iku h HIS 91 CO 0.08 0.14 0.00 -1.33 0.86 0.00 0.00 177.93 177.67 1iku n MET 92 N -5.03 -1.17 -3.58 2.45 2.81 -0.13 -3.84 117.12 108.63 1iku n MET 92 Ca -0.09 0.00 -0.26 0.00 -1.81 0.00 0.00 57.70 55.55 1iku n MET 92 Cb 0.22 0.00 -0.05 0.00 -0.71 0.00 0.00 33.22 32.69 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 -2.49 0.00 0.00 2.03 5.66 -1.17 -4.85 114.28 113.46 1iku n THR 93 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1iku n THR 93 Cb 0.00 -0.30 0.00 0.00 -1.55 0.00 0.00 70.33 68.48 1iku n THR 93 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1iku n SER 94 N -1.85 0.00 -3.18 1.09 2.88 -1.25 -4.93 113.62 106.38 1iku n SER 94 Ca 0.07 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.66 1iku n SER 94 Cb 0.42 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.86 1iku n SER 94 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1iku s ALA 95 N -3.05 -3.27 0.00 -1.46 0.00 -1.26 -4.93 121.76 107.80 1iku s ALA 95 Ca 0.00 1.55 0.00 0.00 0.00 0.00 0.00 51.96 53.51 1iku s ALA 95 Cb 0.00 -2.41 0.00 0.00 0.00 0.00 0.00 23.12 20.71 1iku s ALA 95 CO 0.00 -1.37 0.00 0.41 0.00 0.00 0.00 175.76 174.80 1iku n GLY 96 N 5.37 -0.61 3.85 0.00 0.00 -1.26 -4.70 105.19 107.83 1iku n GLY 96 Ca -0.07 0.19 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 1iku n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iku s LYS 97 N 0.00 3.93 -0.17 1.61 1.02 -1.26 -5.01 119.74 119.86 1iku s LYS 97 Ca 0.00 0.42 -0.17 0.00 0.02 0.00 0.00 55.97 56.24 1iku s LYS 97 Cb 0.00 -3.00 -0.06 0.00 -0.52 0.00 0.00 37.83 34.25 1iku s LYS 97 CO 0.00 0.53 -0.34 2.41 -0.92 0.00 0.00 175.35 177.04 1iku n THR 98 N 1.00 1.48 0.00 2.17 -1.04 -1.26 -4.23 114.28 112.41 1iku n THR 98 Ca -0.07 0.15 0.00 0.00 -2.04 0.00 0.00 64.05 62.09 1iku n THR 98 Cb 0.52 -2.32 0.00 0.00 -1.82 0.00 0.00 70.33 66.71 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 -4.41 0.00 -0.01 8.00 2.04 -1.26 0.76 115.26 120.38 1iku n ASN 99 Ca -0.13 0.22 -0.13 0.00 -0.44 0.00 0.00 54.58 54.09 1iku n ASN 99 Cb 0.50 -0.22 -0.14 0.00 -2.53 0.00 0.00 39.78 37.39 1iku n ASN 99 CO 0.00 0.00 0.00 1.56 -0.44 0.00 0.00 177.26 178.38 1iku h GLN 100 N 0.00 0.10 0.00 -3.83 1.08 -1.99 -3.33 115.11 107.14 1iku h GLN 100 Ca 0.00 -0.16 -0.09 0.00 -1.45 0.00 0.00 58.65 56.94 1iku h GLN 100 Cb 0.55 0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 28.03 1iku h GLN 100 CO 0.00 0.75 -0.45 0.87 -0.95 0.00 0.00 178.83 179.06 1iku h LYS 101 N 0.03 0.00 0.00 1.46 1.57 0.17 -3.24 116.57 116.56 1iku h LYS 101 Ca -0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 1iku h LYS 101 Cb 2.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.33 1iku h LYS 101 CO 0.09 0.45 0.00 1.28 -0.57 0.00 0.00 179.45 180.70 1iku n LEU 102 N -3.25 0.20 -0.53 2.94 4.77 -1.04 -2.34 117.00 117.74 1iku n LEU 102 Ca 0.02 0.64 0.45 0.00 -0.03 0.00 0.00 56.01 57.08 1iku n LEU 102 Cb 0.69 -0.45 0.77 0.00 -2.33 0.00 0.00 43.42 42.10 1iku n LEU 102 CO 0.39 -0.45 1.42 -0.33 -1.33 0.00 0.00 177.39 177.09 1iku h GLU 103 N 0.00 0.00 0.04 3.23 5.08 -1.74 0.82 114.58 122.01 1iku h GLU 103 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1iku h GLU 103 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1iku h GLU 103 CO 0.00 0.00 -0.02 2.35 -1.00 0.00 0.00 179.01 180.34 1iku h TRP 104 N 0.00 -0.05 0.17 4.33 7.01 -1.58 -1.67 115.95 124.17 1iku h TRP 104 Ca 0.77 -0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.77 1iku h TRP 104 Cb 3.21 0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 30.28 1iku h TRP 104 CO 0.00 0.36 -0.12 0.00 -2.79 0.00 0.00 178.44 175.89 1iku h ALA 105 N 0.46 -0.28 -0.76 2.65 0.00 1.00 0.74 119.26 123.07 1iku h ALA 105 Ca -0.01 -0.05 0.15 0.00 0.00 0.00 0.00 54.91 55.01 1iku h ALA 105 Cb 0.43 0.16 -0.10 0.00 0.00 0.00 0.00 17.79 18.28 1iku h ALA 105 CO 0.01 -0.67 0.28 0.35 0.00 0.00 0.00 179.25 179.22 1iku h PHE 106 N -0.30 0.48 -0.06 0.00 3.04 -1.24 -1.24 116.94 117.62 1iku h PHE 106 Ca -0.01 0.04 -0.01 0.00 3.98 0.00 0.00 57.97 61.97 1iku h PHE 106 Cb 0.26 -0.09 -0.00 0.00 2.56 0.00 0.00 35.95 38.67 1iku h PHE 106 CO -0.10 0.02 -0.01 1.03 -2.02 0.00 0.00 178.31 177.24 1iku h SER 107 N 0.40 0.12 -0.47 0.41 0.87 -0.81 0.05 113.55 114.12 1iku h SER 107 Ca 0.43 -0.33 0.14 0.00 -1.23 0.00 0.00 61.79 60.79 1iku h SER 107 Cb 0.68 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.59 1iku h SER 107 CO -0.44 0.42 0.60 0.25 -0.53 0.00 0.00 176.83 177.14 1iku h LEU 108 N -0.19 0.00 0.00 2.23 5.85 0.26 0.60 115.31 124.06 1iku h LEU 108 Ca 0.02 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1iku h LEU 108 Cb 0.37 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.40 1iku h LEU 108 CO 0.00 0.00 -1.28 -1.22 -0.34 0.00 0.00 178.44 175.60 1iku n TYR 109 N -3.46 0.00 -0.80 1.25 4.01 -0.69 -4.46 117.16 113.01 1iku n TYR 109 Ca 0.09 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.76 1iku n TYR 109 Cb 0.78 -0.16 -0.09 0.00 -0.31 0.00 0.00 39.34 39.56 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 -1.73 5.33 -0.04 7.72 2.03 0.21 -4.35 116.55 125.72 1iku n ASP 110 Ca 0.01 -2.47 -0.14 0.00 0.52 0.00 0.00 54.79 52.71 1iku n ASP 110 Cb 0.39 -1.29 -0.09 0.00 -0.72 0.00 0.00 41.12 39.41 1iku n ASP 110 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1iku h VAL 111 N 1.58 1.41 0.00 5.18 -1.51 -1.78 -2.91 116.25 118.21 1iku h VAL 111 Ca 0.12 -1.50 0.00 0.00 -1.23 0.00 0.00 66.70 64.09 1iku h VAL 111 Cb 1.28 2.18 0.00 0.00 -2.13 0.00 0.00 31.29 32.62 1iku h VAL 111 CO 0.16 0.43 0.00 -0.90 -1.23 0.00 0.00 177.57 176.02 1iku n ASP 112 N -4.55 0.00 -0.30 4.19 5.68 -1.26 -4.79 116.55 115.52 1iku n ASP 112 Ca -0.08 -0.45 -0.04 0.00 -0.50 0.00 0.00 54.79 53.73 1iku n ASP 112 Cb 0.41 -0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.37 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 -0.10 0.45 0.00 6.12 0.00 -1.10 -4.78 105.19 105.78 1iku n GLY 113 Ca 0.11 -0.04 0.04 0.00 0.00 0.00 0.00 46.02 46.13 1iku n GLY 113 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1iku n ASN 114 N -0.83 0.00 -0.92 1.61 2.85 -1.26 -4.76 115.26 111.95 1iku n ASN 114 Ca -0.04 -0.04 -0.10 0.00 -0.11 0.00 0.00 54.58 54.29 1iku n ASN 114 Cb 0.45 -0.15 -0.04 0.00 1.24 0.00 0.00 39.78 41.28 1iku n ASN 114 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1iku n GLY 115 N -0.53 0.96 3.22 8.20 0.00 -1.26 -4.88 105.19 110.89 1iku n GLY 115 Ca 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 1iku n GLY 115 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1iku s THR 116 N -1.76 0.06 0.19 2.61 -4.23 -1.26 -4.04 115.64 107.22 1iku s THR 116 Ca 0.00 -0.52 0.11 0.00 -1.18 0.00 0.00 61.69 60.10 1iku s THR 116 Cb 0.00 -0.60 -0.04 0.00 1.34 0.00 0.00 72.50 73.19 1iku s THR 116 CO 0.00 -0.29 -0.23 -0.51 -0.54 0.00 0.00 174.62 173.05 1iku s ILE 117 N -1.40 2.39 0.42 2.99 2.07 -0.78 -4.90 121.20 121.99 1iku s ILE 117 Ca -0.13 -2.03 0.07 0.00 -1.41 0.00 0.00 60.65 57.15 1iku s ILE 117 Cb -0.05 -2.15 -0.05 0.00 0.13 0.00 0.00 42.46 40.34 1iku s ILE 117 CO 0.03 -0.12 0.13 -0.55 -1.91 0.00 0.00 174.94 172.52 1iku s SER 118 N -2.69 4.25 0.12 4.50 0.15 -1.26 -1.69 113.70 117.07 1iku s SER 118 Ca 0.21 -1.21 -0.27 0.00 0.70 0.00 0.00 55.95 55.38 1iku s SER 118 Cb -0.08 -0.36 -0.07 0.00 -1.71 0.00 0.00 66.02 63.81 1iku s SER 118 CO 0.10 -0.56 1.62 0.50 1.20 0.00 0.00 173.24 176.11 1iku h LYS 119 N 1.50 -0.46 -1.30 5.44 1.63 -1.85 -0.84 116.57 120.68 1iku h LYS 119 Ca -0.43 0.03 0.42 0.00 -0.85 0.00 0.00 60.65 59.82 1iku h LYS 119 Cb 1.25 0.11 -0.12 0.00 -0.60 0.00 0.00 32.23 32.87 1iku h LYS 119 CO 0.73 -0.31 0.84 -0.97 -3.45 0.00 0.00 179.45 176.29 1iku h ASN 120 N -0.48 0.26 0.04 4.20 -0.73 -1.96 0.49 115.58 117.40 1iku h ASN 120 Ca 0.05 0.13 -0.00 0.00 1.87 0.00 0.00 56.30 58.34 1iku h ASN 120 Cb 0.54 0.11 0.00 0.00 0.27 0.00 0.00 38.32 39.24 1iku h ASN 120 CO -0.22 -0.14 -0.02 -0.33 -0.37 0.00 0.00 177.43 176.35 1iku h GLU 121 N 0.12 -0.05 -0.83 6.67 4.39 -1.56 -2.30 114.58 121.02 1iku h GLU 121 Ca 0.79 0.00 0.03 0.00 0.34 0.00 0.00 59.36 60.53 1iku h GLU 121 Cb 2.47 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 31.08 1iku h GLU 121 CO -0.39 0.33 0.54 0.28 -1.16 0.00 0.00 179.01 178.62 1iku h VAL 122 N -0.44 1.14 -0.20 3.13 2.07 0.16 -1.96 116.25 120.15 1iku h VAL 122 Ca -0.01 -0.35 0.03 0.00 0.82 0.00 0.00 66.70 67.19 1iku h VAL 122 Cb 0.40 0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.17 1iku h VAL 122 CO 0.01 0.19 0.04 0.25 0.02 0.00 0.00 177.57 178.08 1iku h LEU 123 N 1.03 0.01 -0.78 2.57 5.85 -0.77 0.66 115.31 123.88 1iku h LEU 123 Ca 0.33 0.03 0.12 0.00 0.84 0.00 0.00 57.88 59.19 1iku h LEU 123 Cb 0.02 0.04 -0.08 0.00 0.37 0.00 0.00 40.66 41.01 1iku h LEU 123 CO -0.09 0.04 0.40 -0.33 -0.34 0.00 0.00 178.44 178.11 1iku h GLU 124 N 0.12 0.61 0.65 1.25 5.08 -0.78 0.16 114.58 121.68 1iku h GLU 124 Ca 0.09 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 1iku h GLU 124 Cb 0.08 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.20 1iku h GLU 124 CO -0.12 0.40 -0.31 0.82 -1.00 0.00 0.00 179.01 178.80 1iku h ILE 125 N 0.62 0.27 -1.16 3.13 2.04 -0.96 -1.17 117.51 120.29 1iku h ILE 125 Ca 0.40 -0.20 0.33 0.00 1.00 0.00 0.00 64.86 66.39 1iku h ILE 125 Cb 0.49 0.33 -0.08 0.00 -0.74 0.00 0.00 36.82 36.82 1iku h ILE 125 CO -0.31 0.02 0.78 0.58 0.00 0.00 0.00 178.15 179.22 1iku h VAL 126 N -1.03 0.41 -0.01 1.67 2.07 -0.29 1.13 116.25 120.20 1iku h VAL 126 Ca -0.09 -0.07 -0.16 0.00 0.82 0.00 0.00 66.70 67.20 1iku h VAL 126 Cb 0.71 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 1iku h VAL 126 CO 0.15 0.04 -0.72 0.74 0.02 0.00 0.00 177.57 177.79 1iku h THR 127 N 0.21 1.49 0.14 2.57 2.02 -0.49 -1.21 112.91 117.64 1iku h THR 127 Ca 0.63 -2.40 -0.01 0.00 0.77 0.00 0.00 66.41 65.40 1iku h THR 127 Cb 1.98 2.29 0.00 0.00 -1.74 0.00 0.00 68.15 70.68 1iku h THR 127 CO -0.22 0.69 -0.07 0.00 0.37 0.00 0.00 175.52 176.30 1iku h ALA 128 N 1.23 -0.18 -0.01 6.16 0.00 0.26 0.20 119.26 126.91 1iku h ALA 128 Ca -0.01 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1iku h ALA 128 Cb 1.27 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1iku h ALA 128 CO 0.10 -0.57 -0.02 0.82 0.00 0.00 0.00 179.25 179.57 1iku h ILE 129 N -0.24 1.46 -0.94 0.00 5.03 -1.48 -2.43 117.51 118.91 1iku h ILE 129 Ca -0.02 -1.40 0.21 0.00 -0.12 0.00 0.00 64.86 63.54 1iku h ILE 129 Cb 0.19 2.38 -0.07 0.00 -3.03 0.00 0.00 36.82 36.29 1iku h ILE 129 CO 0.03 0.37 0.62 0.15 -0.68 0.00 0.00 178.15 178.63 1iku h PHE 130 N -0.54 0.61 -0.19 1.37 3.57 -1.21 0.73 116.94 121.27 1iku h PHE 130 Ca -0.00 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.40 1iku h PHE 130 Cb 0.61 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 1iku h PHE 130 CO 0.13 0.14 -0.41 -0.22 -2.23 0.00 0.00 178.31 175.73 1iku h LYS 131 N 0.44 0.45 0.00 1.11 1.63 -0.84 -2.30 116.57 117.06 1iku h LYS 131 Ca 0.50 -0.22 -0.02 0.00 -0.85 0.00 0.00 60.65 60.06 1iku h LYS 131 Cb 1.20 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.83 1iku h LYS 131 CO -0.21 0.78 -0.08 1.98 -3.45 0.00 0.00 179.45 178.47 1iku h MET 132 N 0.37 0.00 -6.42 1.90 4.05 0.94 -3.40 114.93 112.37 1iku h MET 132 Ca 0.03 0.00 -0.54 0.00 -0.28 0.00 0.00 59.70 58.91 1iku h MET 132 Cb 0.88 0.00 -0.07 0.00 -0.80 0.00 0.00 31.60 31.61 1iku h MET 132 CO 0.07 0.08 1.08 0.42 0.23 0.00 0.00 176.91 178.79 1iku s ILE 133 N -3.99 3.80 0.62 1.77 1.01 -0.65 -4.84 121.20 118.91 1iku s ILE 133 Ca -0.02 0.65 -0.18 0.00 0.00 0.00 0.00 60.65 61.11 1iku s ILE 133 Cb 0.12 -4.58 -0.07 0.00 0.01 0.00 0.00 42.46 37.93 1iku s ILE 133 CO 0.55 -1.34 0.53 -0.24 0.00 0.00 0.00 174.94 174.44 1iku n SER 134 N 9.43 -1.07 0.00 3.58 2.88 -1.26 -4.70 113.62 122.47 1iku n SER 134 Ca 0.10 0.69 0.00 0.00 -1.33 0.00 0.00 58.87 58.33 1iku n SER 134 Cb 0.49 -1.19 0.00 0.00 -0.75 0.00 0.00 64.21 62.77 1iku n SER 134 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 1iku n PRO 135 N -0.24 0.00 -0.07 -1.46 -0.01 -1.26 -2.25 135.00 129.71 1iku n PRO 135 Ca 0.11 0.23 -0.05 0.00 -0.01 0.00 0.00 63.50 63.79 1iku n PRO 135 Cb 0.48 -1.56 -0.02 0.00 -0.01 0.00 0.00 33.50 32.40 1iku n PRO 135 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 175.50 175.88 1iku n GLU 136 N -1.19 0.45 0.24 -0.52 -0.58 -1.26 -4.11 120.64 113.67 1iku n GLU 136 Ca 0.00 0.52 0.14 0.00 -0.42 0.00 0.00 57.16 57.41 1iku n GLU 136 Cb 0.06 -1.69 0.77 0.00 -0.57 0.00 0.00 31.44 30.01 1iku n GLU 136 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 1iku h ASP 137 N -1.00 0.00 0.75 1.62 5.19 -1.78 0.16 116.42 121.37 1iku h ASP 137 Ca -0.01 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.36 1iku h ASP 137 Cb 0.53 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.04 1iku h ASP 137 CO -0.00 0.00 -0.18 0.71 -3.12 0.00 0.00 179.24 176.64 1iku h THR 138 N 0.00 0.53 -0.03 0.35 1.35 -1.64 -2.75 112.91 110.71 1iku h THR 138 Ca 0.00 -0.92 0.01 0.00 -0.55 0.00 0.00 66.41 64.95 1iku h THR 138 Cb 0.22 1.63 -0.00 0.00 -1.73 0.00 0.00 68.15 68.26 1iku h THR 138 CO 0.00 0.18 0.11 0.50 -0.25 0.00 0.00 175.52 176.06 1iku h LYS 139 N 0.00 0.00 -0.35 4.72 3.64 -0.84 0.14 116.57 123.88 1iku h LYS 139 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1iku h LYS 139 Cb 0.61 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 1iku h LYS 139 CO 0.02 0.00 0.00 0.72 -2.27 0.00 0.00 179.45 177.92 1iku n HIS 140 N -3.24 0.46 -3.26 1.91 8.25 -1.04 -4.90 115.22 113.41 1iku n HIS 140 Ca -0.02 -0.23 -0.39 0.00 -0.26 0.00 0.00 57.72 56.82 1iku n HIS 140 Cb 0.18 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.23 1iku n HIS 140 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1iku s LEU 141 N -1.31 4.42 0.00 2.41 1.43 0.50 -5.07 118.68 121.06 1iku s LEU 141 Ca 0.34 1.11 -0.11 0.00 -1.03 0.00 0.00 54.13 54.44 1iku s LEU 141 Cb 0.18 -2.85 0.17 0.00 0.03 0.00 0.00 46.19 43.72 1iku s LEU 141 CO 0.26 0.14 0.39 -0.81 0.23 0.00 0.00 176.35 176.56 1iku n PRO 142 N 2.58 -3.17 -0.09 1.29 -0.04 -1.26 -4.92 135.00 129.39 1iku n PRO 142 Ca -0.08 -0.65 0.12 0.00 -0.04 0.00 0.00 63.50 62.85 1iku n PRO 142 Cb 0.51 -0.82 0.24 0.00 -0.04 0.00 0.00 33.50 33.39 1iku n PRO 142 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1iku n GLU 143 N -3.62 2.23 -0.28 0.54 1.02 -1.26 -4.10 120.64 115.17 1iku n GLU 143 Ca 0.06 -1.83 0.04 0.00 -0.02 0.00 0.00 57.16 55.41 1iku n GLU 143 Cb 0.26 -1.47 0.16 0.00 -0.02 0.00 0.00 31.44 30.37 1iku n GLU 143 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1iku n ASP 144 N 1.11 2.40 -2.61 1.62 5.68 -1.26 -3.96 116.55 119.54 1iku n ASP 144 Ca 0.17 -2.19 -0.02 0.00 -0.50 0.00 0.00 54.79 52.25 1iku n ASP 144 Cb 0.53 -0.39 0.11 0.00 -1.14 0.00 0.00 41.12 40.23 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 0.39 1.35 0.00 0.11 -0.00 -1.26 -4.45 120.64 116.78 1iku n GLU 145 Ca 0.12 -1.57 0.02 0.00 -0.00 0.00 0.00 57.16 55.73 1iku n GLU 145 Cb 0.46 0.11 0.10 0.00 -0.00 0.00 0.00 31.44 32.11 1iku n GLU 145 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 1iku n ASN 146 N -1.32 0.00 -3.68 -1.84 4.05 -1.25 -4.68 115.26 106.54 1iku n ASN 146 Ca -0.14 0.50 -0.15 0.00 0.45 0.00 0.00 54.58 55.24 1iku n ASN 146 Cb 0.86 -0.50 -0.08 0.00 1.23 0.00 0.00 39.78 41.29 1iku n ASN 146 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 177.26 174.49 1iku s THR 147 N -3.00 0.04 -0.91 -0.44 -1.32 -1.26 -4.99 115.64 103.76 1iku s THR 147 Ca 0.02 -0.33 0.00 0.00 -1.21 0.00 0.00 61.69 60.17 1iku s THR 147 Cb 0.03 -0.75 0.00 0.00 -1.51 0.00 0.00 72.50 70.27 1iku s THR 147 CO 0.08 -0.18 0.80 -2.65 -2.21 0.00 0.00 174.62 170.46 1iku n PRO 148 N 1.11 0.00 -0.08 7.08 -0.01 -1.26 -1.69 135.00 140.15 1iku n PRO 148 Ca -0.21 0.32 -0.14 0.00 -0.01 0.00 0.00 63.50 63.47 1iku n PRO 148 Cb 0.57 -1.59 -0.09 0.00 -0.01 0.00 0.00 33.50 32.37 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 5.08 -1.94 -2.68 114.58 114.52 1iku h GLU 149 Ca 0.00 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 1iku h GLU 149 Cb 0.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1iku h GLU 149 CO 0.00 0.72 -0.29 0.87 -1.00 0.00 0.00 179.01 179.32 1iku h LYS 150 N -1.00 0.00 0.16 2.33 1.79 -1.67 0.58 116.57 118.75 1iku h LYS 150 Ca -0.14 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.32 1iku h LYS 150 Cb 0.92 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.57 1iku h LYS 150 CO -0.09 0.29 -0.08 -0.09 -1.08 0.00 0.00 179.45 178.41 1iku h ARG 151 N 0.00 -0.20 0.00 3.15 9.65 -1.52 -2.79 114.38 122.66 1iku h ARG 151 Ca -0.00 0.01 -0.06 0.00 -1.10 0.00 0.00 59.98 58.83 1iku h ARG 151 Cb 0.54 0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 29.16 1iku h ARG 151 CO 0.04 0.22 -0.31 0.00 2.80 0.00 0.00 179.97 182.72 1iku h ALA 152 N -0.09 1.47 -0.07 2.80 0.00 -1.35 -2.79 119.26 119.24 1iku h ALA 152 Ca -0.02 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.63 1iku h ALA 152 Cb 0.52 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1iku h ALA 152 CO 0.04 0.38 -0.02 0.93 0.00 0.00 0.00 179.25 180.57 1iku h GLU 153 N 0.00 -0.01 0.52 0.00 5.08 -0.85 0.37 114.58 119.69 1iku h GLU 153 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1iku h GLU 153 Cb 0.55 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 1iku h GLU 153 CO 0.04 -0.01 -0.43 -0.22 -1.00 0.00 0.00 179.01 177.39 1iku h LYS 154 N -0.01 -0.91 -0.99 2.33 3.64 -1.23 1.38 116.57 120.78 1iku h LYS 154 Ca 0.03 0.06 0.17 0.00 -1.27 0.00 0.00 60.65 59.64 1iku h LYS 154 Cb 0.06 0.21 -0.09 0.00 -0.41 0.00 0.00 32.23 32.00 1iku h LYS 154 CO -0.08 -0.61 0.62 0.82 -2.27 0.00 0.00 179.45 177.93 1iku h ILE 155 N -0.94 0.78 0.00 2.00 2.04 -1.35 0.59 117.51 120.63 1iku h ILE 155 Ca -0.06 -0.28 -0.03 0.00 1.00 0.00 0.00 64.86 65.49 1iku h ILE 155 Cb 0.81 -0.10 -0.00 0.00 -0.74 0.00 0.00 36.82 36.79 1iku h ILE 155 CO -0.01 0.15 -0.16 -0.25 0.00 0.00 0.00 178.15 177.88 1iku h TRP 156 N 0.81 0.00 -0.46 1.37 2.91 0.62 -2.10 115.95 119.09 1iku h TRP 156 Ca 0.53 0.00 -0.07 0.00 1.13 0.00 0.00 58.89 60.49 1iku h TRP 156 Cb 0.78 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 29.40 1iku h TRP 156 CO -0.00 0.16 0.02 0.78 -1.03 0.00 0.00 178.44 178.36 1iku h GLY 157 N 2.91 0.81 0.89 2.65 0.00 0.75 2.69 103.07 113.77 1iku h GLY 157 Ca -0.00 -0.52 -0.15 0.00 0.00 0.00 0.00 47.33 46.66 1iku h GLY 157 CO 0.02 0.48 -1.44 0.69 0.00 0.00 0.00 176.54 176.29 1iku n PHE 158 N -4.23 0.89 -0.07 5.60 3.72 -1.04 -2.83 117.46 119.49 1iku n PHE 158 Ca 0.03 0.29 -0.05 0.00 -0.05 0.00 0.00 57.45 57.67 1iku n PHE 158 Cb 0.28 -1.04 -0.02 0.00 -0.94 0.00 0.00 39.48 37.76 1iku n PHE 158 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1iku n PHE 159 N -2.82 0.86 -0.33 1.38 3.01 -0.80 -4.64 117.46 114.11 1iku n PHE 159 Ca -0.09 0.38 0.06 0.00 1.01 0.00 0.00 57.45 58.80 1iku n PHE 159 Cb 0.81 -0.75 0.16 0.00 -0.01 0.00 0.00 39.48 39.68 1iku n PHE 159 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1iku n GLY 160 N 1.61 3.09 7.00 1.37 0.00 0.17 -4.96 105.19 113.47 1iku n GLY 160 Ca -0.08 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 0.15 0.00 -1.69 1.61 4.81 0.85 -4.42 118.16 119.48 1iku n LYS 161 Ca 0.12 0.00 -0.31 0.00 -0.87 0.00 0.00 58.31 57.25 1iku n LYS 161 Cb 0.50 0.00 0.04 0.00 0.02 0.00 0.00 35.03 35.59 1iku n LYS 161 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1iku s LYS 162 N 0.00 3.00 0.00 1.64 1.02 -1.26 -3.50 119.74 120.64 1iku s LYS 162 Ca 0.00 1.04 0.00 0.00 0.02 0.00 0.00 55.97 57.03 1iku s LYS 162 Cb 0.00 -2.00 0.00 0.00 -0.52 0.00 0.00 37.83 35.31 1iku s LYS 162 CO 0.00 -1.05 0.12 -0.40 -0.92 0.00 0.00 175.35 173.10 1iku n ASP 163 N -2.84 0.10 -3.43 2.83 5.68 -1.26 -3.65 116.55 113.97 1iku n ASP 163 Ca 0.08 -0.34 -0.27 0.00 -0.50 0.00 0.00 54.79 53.76 1iku n ASP 163 Cb 0.53 -0.05 -0.08 0.00 -1.14 0.00 0.00 41.12 40.38 1iku n ASP 163 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1iku n ASP 164 N 0.04 3.58 -2.51 -1.12 8.00 -1.26 -4.74 116.55 118.55 1iku n ASP 164 Ca 0.00 -3.40 -0.03 0.00 0.71 0.00 0.00 54.79 52.06 1iku n ASP 164 Cb 0.02 -0.67 0.02 0.00 -0.02 0.00 0.00 41.12 40.47 1iku n ASP 164 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1iku n ASP 165 N 0.92 -1.31 -4.20 -2.24 2.03 -1.24 -5.05 116.55 105.47 1iku n ASP 165 Ca 0.29 -1.76 -0.13 0.00 0.52 0.00 0.00 54.79 53.71 1iku n ASP 165 Cb 0.41 2.15 -0.10 0.00 -0.72 0.00 0.00 41.12 42.86 1iku n ASP 165 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1iku s LYS 166 N -2.04 1.27 -0.02 -0.67 -0.14 -1.26 -4.30 119.74 112.58 1iku s LYS 166 Ca 0.15 -1.68 0.03 0.00 -1.36 0.00 0.00 55.97 53.10 1iku s LYS 166 Cb -0.02 0.14 -0.00 0.00 -1.68 0.00 0.00 37.83 36.27 1iku s LYS 166 CO 0.05 -0.38 -0.09 -0.51 -0.76 0.00 0.00 175.35 173.66 1iku s LEU 167 N -3.21 1.90 0.58 3.17 1.43 -0.68 -4.80 118.68 117.06 1iku s LEU 167 Ca 0.39 -0.17 0.00 0.00 -1.03 0.00 0.00 54.13 53.32 1iku s LEU 167 Cb 0.07 -0.50 0.04 0.00 0.03 0.00 0.00 46.19 45.83 1iku s LEU 167 CO 0.13 0.09 0.81 0.42 0.23 0.00 0.00 176.35 178.03 1iku s THR 168 N -0.01 2.60 0.21 5.49 -4.23 -1.26 -1.86 115.64 116.57 1iku s THR 168 Ca 0.00 -0.61 -0.09 0.00 -1.18 0.00 0.00 61.69 59.81 1iku s THR 168 Cb -0.06 -2.98 0.15 0.00 1.34 0.00 0.00 72.50 70.95 1iku s THR 168 CO -0.00 0.00 1.79 1.05 -0.54 0.00 0.00 174.62 176.92 1iku h GLU 169 N -0.03 0.60 0.00 3.99 4.11 -2.00 0.94 114.58 122.19 1iku h GLU 169 Ca -0.42 -0.04 -0.24 0.00 0.07 0.00 0.00 59.36 58.74 1iku h GLU 169 Cb 1.30 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 30.42 1iku h GLU 169 CO 0.53 0.40 -0.97 1.57 0.07 0.00 0.00 179.01 180.60 1iku h LYS 170 N 0.62 0.49 -0.64 1.06 2.10 -1.95 -2.76 116.57 115.49 1iku h LYS 170 Ca 0.31 -0.52 -0.08 0.00 -2.00 0.00 0.00 60.65 58.36 1iku h LYS 170 Cb 0.26 0.15 -0.03 0.00 -0.90 0.00 0.00 32.23 31.71 1iku h LYS 170 CO -0.22 1.17 0.09 1.49 -2.00 0.00 0.00 179.45 179.98 1iku h GLU 171 N 0.27 1.05 -0.02 0.07 4.81 -1.82 0.48 114.58 119.43 1iku h GLU 171 Ca -0.09 -0.28 -0.00 0.00 -0.13 0.00 0.00 59.36 58.86 1iku h GLU 171 Cb 1.61 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 30.87 1iku h GLU 171 CO 0.17 0.97 0.00 0.35 -0.73 0.00 0.00 179.01 179.78 1iku h PHE 172 N 0.99 0.03 0.63 0.92 3.57 -0.86 0.49 116.94 122.71 1iku h PHE 172 Ca 0.19 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.66 1iku h PHE 172 Cb 0.44 -0.01 0.01 0.00 2.79 0.00 0.00 35.95 39.17 1iku h PHE 172 CO 0.03 0.29 -0.30 0.82 -2.23 0.00 0.00 178.31 176.92 1iku h ILE 173 N -0.23 0.34 -0.20 1.41 1.08 -1.37 -2.64 117.51 115.90 1iku h ILE 173 Ca 0.01 -0.14 -0.00 0.00 -0.39 0.00 0.00 64.86 64.33 1iku h ILE 173 Cb 0.27 0.39 -0.01 0.00 -3.07 0.00 0.00 36.82 34.41 1iku h ILE 173 CO 0.00 0.02 0.11 -0.33 -0.69 0.00 0.00 178.15 177.26 1iku h GLU 174 N -0.94 0.27 -0.74 2.37 5.08 -0.94 -1.18 114.58 118.50 1iku h GLU 174 Ca -0.09 -0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.35 1iku h GLU 174 Cb 0.68 -0.06 -0.07 0.00 0.50 0.00 0.00 28.75 29.79 1iku h GLU 174 CO 0.14 0.20 0.37 0.78 -1.00 0.00 0.00 179.01 179.51 1iku h GLY 175 N 0.34 1.12 0.00 -3.84 0.00 0.35 -0.87 103.07 100.17 1iku h GLY 175 Ca 0.07 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.17 1iku h GLY 175 CO -0.01 0.05 -0.12 -0.84 0.00 0.00 0.00 176.54 175.62 1iku h THR 176 N 0.62 0.00 0.00 4.70 2.02 -1.08 -3.32 112.91 115.84 1iku h THR 176 Ca 0.37 -0.63 0.00 0.00 0.77 0.00 0.00 66.41 66.92 1iku h THR 176 Cb 0.41 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.82 1iku h THR 176 CO -0.28 0.00 0.39 0.18 0.37 0.00 0.00 175.52 176.18 1iku n LEU 177 N -3.75 0.08 0.02 2.58 7.99 -0.53 -1.75 117.00 121.64 1iku n LEU 177 Ca -0.02 0.28 -0.01 0.00 -0.01 0.00 0.00 56.01 56.25 1iku n LEU 177 Cb 0.06 -0.22 -0.01 0.00 -0.11 0.00 0.00 43.42 43.14 1iku n LEU 177 CO 0.03 -0.31 0.09 0.00 -1.51 0.00 0.00 177.39 175.69 1iku h ALA 178 N 0.69 -0.20 -2.11 -1.18 0.00 -1.25 -3.47 119.26 111.74 1iku h ALA 178 Ca 0.00 -0.02 -0.46 0.00 0.00 0.00 0.00 54.91 54.43 1iku h ALA 178 Cb 0.79 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 1iku h ALA 178 CO 0.00 -0.20 -0.38 -0.80 0.00 0.00 0.00 179.25 177.87 1iku s ASN 179 N -3.65 6.23 -0.04 0.00 -0.87 -0.72 -5.02 114.94 110.87 1iku s ASN 179 Ca -0.01 0.06 0.11 0.00 -1.57 0.00 0.00 52.86 51.45 1iku s ASN 179 Cb 0.00 -1.74 -0.23 0.00 -0.02 0.00 0.00 41.25 39.26 1iku s ASN 179 CO 0.04 -0.18 0.67 0.50 -2.57 0.00 0.00 177.10 175.55 1iku h LYS 180 N 1.05 0.01 0.65 -0.60 1.63 -1.91 -3.34 116.57 114.06 1iku h LYS 180 Ca -0.50 -0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 59.24 1iku h LYS 180 Cb 1.23 0.01 0.01 0.00 -0.60 0.00 0.00 32.23 32.88 1iku h LYS 180 CO 0.59 0.54 -0.31 0.93 -3.45 0.00 0.00 179.45 177.75 1iku h GLU 181 N 0.00 -0.84 -0.95 1.90 4.39 -1.95 -2.68 114.58 114.45 1iku h GLU 181 Ca -0.28 0.06 0.29 0.00 0.34 0.00 0.00 59.36 59.77 1iku h GLU 181 Cb 2.01 0.19 -0.15 0.00 -0.10 0.00 0.00 28.75 30.70 1iku h GLU 181 CO 0.08 -0.56 0.37 0.82 -1.16 0.00 0.00 179.01 178.56 1iku h ILE 182 N -0.93 0.23 -0.06 3.13 2.04 -1.92 0.34 117.51 120.34 1iku h ILE 182 Ca -0.09 -0.07 0.04 0.00 1.00 0.00 0.00 64.86 65.74 1iku h ILE 182 Cb 0.67 0.02 -0.05 0.00 -0.74 0.00 0.00 36.82 36.71 1iku h ILE 182 CO 0.15 0.04 -0.30 0.25 0.00 0.00 0.00 178.15 178.29 1iku h LEU 183 N 0.20 -0.90 -0.90 1.44 5.85 -1.62 0.51 115.31 119.89 1iku h LEU 183 Ca 0.66 0.13 0.00 0.00 0.84 0.00 0.00 57.88 59.51 1iku h LEU 183 Cb 1.48 0.37 0.00 0.00 0.37 0.00 0.00 40.66 42.88 1iku h LEU 183 CO -0.68 -0.35 0.00 0.54 -0.34 0.00 0.00 178.44 177.60 1iku n ARG 184 N -5.40 0.09 -0.04 1.25 5.12 0.11 -2.11 116.66 115.68 1iku n ARG 184 Ca -0.04 0.58 -0.15 0.00 -1.93 0.00 0.00 57.85 56.31 1iku n ARG 184 Cb 0.31 -1.79 -0.14 0.00 -1.16 0.00 0.00 32.46 29.68 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 -1.98 1.76 -0.09 0.55 4.77 0.16 -3.56 117.00 118.61 1iku n LEU 185 Ca -0.01 0.19 -0.15 0.00 -0.03 0.00 0.00 56.01 56.01 1iku n LEU 185 Cb 0.03 -0.44 -0.09 0.00 -2.33 0.00 0.00 43.42 40.59 1iku n LEU 185 CO 0.07 0.67 -0.33 0.16 -1.33 0.00 0.00 177.39 176.62 1iku h ILE 186 N 0.03 0.75 -0.54 -0.08 -0.00 -0.49 -3.39 117.51 113.78 1iku h ILE 186 Ca -0.42 -1.84 0.00 0.00 -0.00 0.00 0.00 64.86 62.60 1iku h ILE 186 Cb 2.04 1.69 0.00 0.00 -0.00 0.00 0.00 36.82 40.55 1iku h ILE 186 CO 0.05 0.25 0.00 0.00 -0.00 0.00 0.00 178.15 178.45 1iku n GLN 187 N -4.52 4.33 0.00 0.16 10.64 -0.94 -4.92 117.38 122.13 1iku n GLN 187 Ca -0.21 -3.04 0.00 0.00 -1.83 0.00 0.00 57.00 51.91 1iku n GLN 187 Cb 0.51 -2.11 0.00 0.00 -0.86 0.00 0.00 30.24 27.79 1iku n GLN 187 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 1iku n PHE 188 N 0.57 0.00 -0.73 2.61 7.35 -1.22 -3.03 117.46 123.01 1iku n PHE 188 Ca 0.26 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.95 1iku n PHE 188 Cb 1.08 0.03 0.00 0.00 0.35 0.00 0.00 39.48 40.94 1iku n PHE 188 CO 0.00 0.00 0.00 -1.91 -0.76 0.00 0.00 176.76 174.09