#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 -0.55 0.52 1.61 2.47 -1.26 -4.91 114.94 112.82 1iku s ASN 3 Ca 0.00 1.04 0.28 0.00 0.42 0.00 0.00 52.86 54.60 1iku s ASN 3 Cb 0.00 1.04 1.40 0.00 -1.45 0.00 0.00 41.25 42.24 1iku s ASN 3 CO 0.00 -0.18 1.90 0.28 -3.72 0.00 0.00 177.10 175.38 1iku h SER 4 N 5.52 0.07 -0.13 -4.21 0.02 -1.99 0.34 113.55 113.18 1iku h SER 4 Ca -0.28 0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 60.60 1iku h SER 4 Cb 1.18 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 63.70 1iku h SER 4 CO 0.19 0.03 -0.12 0.50 -1.14 0.00 0.00 176.83 176.28 1iku h LYS 5 N 0.07 0.48 0.00 3.45 1.63 -1.96 -1.67 116.57 118.56 1iku h LYS 5 Ca 0.40 -0.13 0.00 0.00 -0.85 0.00 0.00 60.65 60.07 1iku h LYS 5 Cb 1.50 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 33.07 1iku h LYS 5 CO -0.03 0.60 0.00 0.45 -3.45 0.00 0.00 179.45 177.01 1iku n SER 6 N -4.21 0.60 0.13 4.20 2.88 0.12 -1.58 113.62 115.76 1iku n SER 6 Ca 0.00 0.70 -0.00 0.00 -1.33 0.00 0.00 58.87 58.24 1iku n SER 6 Cb 0.32 -0.81 0.10 0.00 -0.75 0.00 0.00 64.21 63.07 1iku n SER 6 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1iku h GLY 7 N 1.32 0.00 0.19 0.46 0.00 -1.30 -3.21 103.07 100.53 1iku h GLY 7 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1iku h GLY 7 CO 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 176.54 176.49 1iku h ALA 8 N 1.37 -0.15 -1.22 3.60 0.00 -1.38 -3.18 119.26 118.29 1iku h ALA 8 Ca -0.01 -0.20 0.39 0.00 0.00 0.00 0.00 54.91 55.09 1iku h ALA 8 Cb 1.29 0.06 -0.12 0.00 0.00 0.00 0.00 17.79 19.02 1iku h ALA 8 CO 0.08 -0.18 0.78 -0.07 0.00 0.00 0.00 179.25 179.87 1iku h LEU 9 N -0.96 0.31 -0.52 0.00 3.38 -1.64 0.75 115.31 116.62 1iku h LEU 9 Ca -0.02 0.13 -0.07 0.00 0.09 0.00 0.00 57.88 58.01 1iku h LEU 9 Cb 0.46 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 1iku h LEU 9 CO 0.02 -0.13 0.04 0.28 0.09 0.00 0.00 178.44 178.75 1iku h SER 10 N 0.17 0.87 -0.10 -0.43 0.02 -1.59 -2.00 113.55 110.47 1iku h SER 10 Ca 0.76 -0.28 0.02 0.00 -0.84 0.00 0.00 61.79 61.45 1iku h SER 10 Cb 2.26 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 64.55 1iku h SER 10 CO -0.41 0.94 -0.03 0.50 -1.14 0.00 0.00 176.83 176.68 1iku h LYS 11 N 0.77 -0.01 -0.83 3.45 3.64 0.53 0.29 116.57 124.41 1iku h LYS 11 Ca 0.15 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 1iku h LYS 11 Cb 0.46 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.25 1iku h LYS 11 CO 0.02 -0.01 0.49 0.93 -2.27 0.00 0.00 179.45 178.61 1iku h GLU 12 N -0.01 1.13 0.01 1.90 4.39 -1.39 -0.82 114.58 119.79 1iku h GLU 12 Ca 0.05 -0.11 -0.00 0.00 0.34 0.00 0.00 59.36 59.64 1iku h GLU 12 Cb 0.09 -0.23 0.00 0.00 -0.10 0.00 0.00 28.75 28.50 1iku h GLU 12 CO -0.11 0.81 -0.00 0.82 -1.16 0.00 0.00 179.01 179.36 1iku h ILE 13 N 1.14 0.00 -0.70 3.13 2.04 -0.88 -1.82 117.51 120.42 1iku h ILE 13 Ca 0.30 -0.01 0.20 0.00 1.00 0.00 0.00 64.86 66.35 1iku h ILE 13 Cb -0.02 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.03 1iku h ILE 13 CO -0.05 0.00 0.86 -0.07 0.00 0.00 0.00 178.15 178.88 1iku h LEU 14 N -0.02 0.00 0.00 1.44 3.38 -0.51 0.43 115.31 120.03 1iku h LEU 14 Ca -0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1iku h LEU 14 Cb 0.01 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.77 1iku h LEU 14 CO 0.00 0.00 -0.28 -0.08 0.09 0.00 0.00 178.44 178.18 1iku h GLU 15 N 0.00 0.18 -0.75 1.13 4.81 -1.10 -3.23 114.58 115.62 1iku h GLU 15 Ca 0.33 -0.20 0.16 0.00 -0.13 0.00 0.00 59.36 59.53 1iku h GLU 15 Cb 2.05 0.06 -0.11 0.00 0.63 0.00 0.00 28.75 31.37 1iku h GLU 15 CO -0.00 0.95 0.19 1.49 -0.73 0.00 0.00 179.01 180.90 1iku h GLU 16 N -0.50 0.26 -0.12 1.92 4.57 0.76 -2.33 114.58 119.14 1iku h GLU 16 Ca -0.04 -0.02 0.01 0.00 -1.18 0.00 0.00 59.36 58.14 1iku h GLU 16 Cb 1.05 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.55 1iku h GLU 16 CO 0.05 0.17 -0.14 1.25 -1.18 0.00 0.00 179.01 179.17 1iku h LEU 17 N 0.27 -0.47 0.00 1.64 6.46 -1.56 -3.45 115.31 118.20 1iku h LEU 17 Ca 0.43 0.06 0.00 0.00 -0.12 0.00 0.00 57.88 58.25 1iku h LEU 17 Cb 0.73 0.20 0.00 0.00 -0.73 0.00 0.00 40.66 40.86 1iku h LEU 17 CO -0.52 -0.09 0.00 0.00 -0.62 0.00 0.00 178.44 177.21 1iku n GLN 18 N -3.39 0.00 -0.13 1.25 6.02 -0.88 -5.14 117.38 115.11 1iku n GLN 18 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 1iku n GLN 18 Cb 0.08 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.34 1iku n GLN 18 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1iku n LEU 19 N 0.00 0.00 0.00 1.08 4.77 -1.22 -4.96 117.00 116.67 1iku n LEU 19 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1iku n LEU 19 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1iku n LEU 19 CO 0.00 -0.24 0.00 -0.46 -1.33 0.00 0.00 177.39 175.36 1iku n ASN 20 N -1.44 0.00 -3.37 -1.43 6.94 -1.26 -4.50 115.26 110.20 1iku n ASN 20 Ca 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 54.58 54.46 1iku n ASN 20 Cb 0.00 0.00 -0.08 0.00 -2.36 0.00 0.00 39.78 37.34 1iku n ASN 20 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1iku s THR 21 N -1.66 -0.58 0.57 5.53 -1.32 -1.26 -4.41 115.64 112.51 1iku s THR 21 Ca 0.00 -0.07 0.33 0.00 -1.21 0.00 0.00 61.69 60.75 1iku s THR 21 Cb 0.00 -0.79 0.37 0.00 -1.51 0.00 0.00 72.50 70.56 1iku s THR 21 CO 0.00 -0.12 2.25 0.50 -2.21 0.00 0.00 174.62 175.04 1iku h LYS 22 N 8.19 0.00 -6.36 7.08 3.64 -2.00 -3.43 116.57 123.70 1iku h LYS 22 Ca -0.19 0.00 -0.64 0.00 -1.27 0.00 0.00 60.65 58.55 1iku h LYS 22 Cb 1.15 0.00 0.05 0.00 -0.41 0.00 0.00 32.23 33.02 1iku h LYS 22 CO 0.27 0.02 0.66 1.19 -2.27 0.00 0.00 179.45 179.31 1iku n PHE 23 N -3.62 1.90 -0.67 1.91 3.72 -1.26 -4.92 117.46 114.52 1iku n PHE 23 Ca -0.03 0.44 -0.28 0.00 -0.05 0.00 0.00 57.45 57.53 1iku n PHE 23 Cb 0.11 -2.44 0.24 0.00 -0.94 0.00 0.00 39.48 36.44 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 1.05 1.96 0.37 4.37 -1.32 -1.26 -4.84 115.64 115.98 1iku s THR 24 Ca 0.83 0.00 0.07 0.00 -1.21 0.00 0.00 61.69 61.38 1iku s THR 24 Cb -0.84 -2.16 0.17 0.00 -1.51 0.00 0.00 72.50 68.17 1iku s THR 24 CO 0.45 0.00 1.92 1.05 -2.21 0.00 0.00 174.62 175.83 1iku h GLU 25 N -2.56 0.41 -0.76 7.08 -0.00 -1.91 -2.27 114.58 114.57 1iku h GLU 25 Ca -0.60 -0.08 0.06 0.00 -0.00 0.00 0.00 59.36 58.74 1iku h GLU 25 Cb 1.34 -0.06 -0.05 0.00 -0.00 0.00 0.00 28.75 29.98 1iku h GLU 25 CO 0.51 0.45 0.50 0.93 -0.00 0.00 0.00 179.01 181.40 1iku h GLU 26 N 0.39 0.82 0.62 1.06 5.08 -1.90 -0.23 114.58 120.42 1iku h GLU 26 Ca 0.09 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 1iku h GLU 26 Cb 0.29 -0.18 0.01 0.00 0.50 0.00 0.00 28.75 29.36 1iku h GLU 26 CO 0.01 0.54 -0.30 0.93 -1.00 0.00 0.00 179.01 179.19 1iku h GLU 27 N 0.84 -0.80 -0.24 2.33 4.39 -1.74 -1.67 114.58 117.69 1iku h GLU 27 Ca 0.32 0.05 0.07 0.00 0.34 0.00 0.00 59.36 60.15 1iku h GLU 27 Cb 0.20 0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 1iku h GLU 27 CO -0.11 -0.48 0.18 -0.07 -1.16 0.00 0.00 179.01 177.37 1iku h LEU 28 N -1.01 0.00 -0.19 1.33 3.38 -1.46 0.11 115.31 117.47 1iku h LEU 28 Ca -0.08 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 1iku h LEU 28 Cb 0.68 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 1iku h LEU 28 CO 0.14 0.00 -0.05 -1.28 0.09 0.00 0.00 178.44 177.34 1iku h SER 29 N 0.00 0.37 -0.23 -0.43 0.87 -0.69 0.24 113.55 113.67 1iku h SER 29 Ca 0.11 -0.37 -0.18 0.00 -1.23 0.00 0.00 61.79 60.12 1iku h SER 29 Cb 0.47 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.34 1iku h SER 29 CO -0.00 0.65 -0.57 0.77 -0.53 0.00 0.00 176.83 177.14 1iku h SER 30 N 0.09 0.91 -0.00 6.23 4.64 -0.34 -2.79 113.55 122.28 1iku h SER 30 Ca 0.05 -0.56 -0.00 0.00 -0.47 0.00 0.00 61.79 60.80 1iku h SER 30 Cb 0.49 -0.26 -0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1iku h SER 30 CO 0.02 1.31 0.00 -0.25 -0.87 0.00 0.00 176.83 177.04 1iku h TRP 31 N 0.56 0.01 0.11 4.77 7.01 -0.81 -0.37 115.95 127.22 1iku h TRP 31 Ca -0.01 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.00 1iku h TRP 31 Cb 1.19 -0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 28.22 1iku h TRP 31 CO 0.08 0.31 -0.31 -0.92 -2.79 0.00 0.00 178.44 174.81 1iku h TYR 32 N -0.29 -0.88 -0.18 2.65 3.20 -0.57 1.17 116.97 122.06 1iku h TYR 32 Ca 0.00 0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.94 1iku h TYR 32 Cb 0.31 0.37 -0.04 0.00 1.54 0.00 0.00 36.73 38.90 1iku h TYR 32 CO 0.03 -0.36 -0.10 1.96 -1.64 0.00 0.00 178.16 178.06 1iku h GLN 33 N -0.47 -0.08 0.00 1.82 1.08 -1.56 0.52 115.11 116.43 1iku h GLN 33 Ca -0.01 0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1iku h GLN 33 Cb 0.46 0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.90 1iku h GLN 33 CO -0.14 -0.05 -0.02 0.77 -0.95 0.00 0.00 178.83 178.44 1iku h SER 34 N -0.08 0.00 0.01 1.46 0.02 -0.74 0.61 113.55 114.83 1iku h SER 34 Ca 0.10 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.05 1iku h SER 34 Cb 0.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.77 1iku h SER 34 CO -0.24 0.02 -0.00 0.15 -1.14 0.00 0.00 176.83 175.62 1iku h PHE 35 N 0.00 -0.01 0.00 3.45 3.57 0.35 -2.65 116.94 121.65 1iku h PHE 35 Ca -0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1iku h PHE 35 Cb 0.07 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.82 1iku h PHE 35 CO 0.00 0.83 0.00 1.28 -2.23 0.00 0.00 178.31 178.19 1iku n LEU 36 N -4.67 0.45 0.07 0.59 4.77 -0.41 -2.13 117.00 115.67 1iku n LEU 36 Ca -0.09 0.59 -0.21 0.00 -0.03 0.00 0.00 56.01 56.26 1iku n LEU 36 Cb 0.41 -0.50 -0.15 0.00 -2.33 0.00 0.00 43.42 40.85 1iku n LEU 36 CO 0.32 -0.36 -0.12 0.50 -1.33 0.00 0.00 177.39 176.40 1iku h LYS 37 N 0.00 0.35 0.00 3.23 3.64 -0.90 -3.26 116.57 119.63 1iku h LYS 37 Ca 0.00 -0.60 -0.00 0.00 -1.27 0.00 0.00 60.65 58.78 1iku h LYS 37 Cb 0.41 0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 32.46 1iku h LYS 37 CO 0.00 1.29 -0.00 0.93 -2.27 0.00 0.00 179.45 179.39 1iku h GLU 38 N -0.23 0.00 -3.09 1.90 4.39 -1.32 -3.35 114.58 112.88 1iku h GLU 38 Ca -0.20 0.00 -0.62 0.00 0.34 0.00 0.00 59.36 58.87 1iku h GLU 38 Cb 1.80 0.00 -0.42 0.00 -0.10 0.00 0.00 28.75 30.03 1iku h GLU 38 CO 0.17 0.00 -0.60 0.00 -1.16 0.00 0.00 179.01 177.42 1iku h PRO 40 N 5.55 0.24 0.00 0.00 0.11 -1.70 -1.62 132.00 134.58 1iku h PRO 40 Ca 0.12 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.20 1iku h PRO 40 Cb 0.78 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.84 1iku h PRO 40 CO 0.70 0.23 0.56 0.66 -0.21 0.00 0.00 178.00 179.94 1iku h SER 41 N 0.19 0.00 0.00 -2.05 4.64 -1.92 -3.42 113.55 111.00 1iku h SER 41 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1iku h SER 41 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1iku h SER 41 CO -0.01 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.56 1iku n GLY 42 N -1.31 0.00 3.37 -0.77 0.00 -0.61 -4.84 105.19 101.03 1iku n GLY 42 Ca -0.01 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.94 2.92 0.48 1.61 0.52 -1.26 -2.57 118.95 119.71 1iku s ARG 43 Ca 0.00 -1.38 0.06 0.00 -0.52 0.00 0.00 55.73 53.89 1iku s ARG 43 Cb 0.00 -4.08 0.02 0.00 0.52 0.00 0.00 34.95 31.41 1iku s ARG 43 CO 0.00 -1.02 0.66 0.96 0.02 0.00 0.00 175.30 175.91 1iku s ILE 44 N 1.61 2.83 0.42 1.52 -4.36 -0.55 -4.69 121.20 117.98 1iku s ILE 44 Ca 0.04 -0.88 0.07 0.00 -0.26 0.00 0.00 60.65 59.62 1iku s ILE 44 Cb -0.24 -2.96 -0.04 0.00 1.25 0.00 0.00 42.46 40.47 1iku s ILE 44 CO 0.06 0.00 0.20 0.42 0.24 0.00 0.00 174.94 175.86 1iku s THR 45 N -2.52 2.26 0.02 8.37 -4.23 -1.26 -1.24 115.64 117.03 1iku s THR 45 Ca 0.56 -1.67 -0.06 0.00 -1.18 0.00 0.00 61.69 59.34 1iku s THR 45 Cb -0.10 -2.93 -0.03 0.00 1.34 0.00 0.00 72.50 70.79 1iku s THR 45 CO 0.35 0.00 1.10 -0.09 -0.54 0.00 0.00 174.62 175.44 1iku h ARG 46 N 1.36 -0.14 -1.17 3.99 2.43 -1.95 -0.21 114.38 118.70 1iku h ARG 46 Ca -0.42 0.01 0.42 0.00 -0.81 0.00 0.00 59.98 59.17 1iku h ARG 46 Cb 1.26 0.03 -0.15 0.00 -0.42 0.00 0.00 29.97 30.69 1iku h ARG 46 CO 0.69 -0.09 0.70 1.96 -1.51 0.00 0.00 179.97 181.72 1iku h GLN 47 N -0.14 0.08 -0.05 0.20 1.08 -1.98 0.23 115.11 114.53 1iku h GLN 47 Ca -0.00 -0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.16 1iku h GLN 47 Cb 0.14 -0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.55 1iku h GLN 47 CO -0.04 0.05 -0.08 0.93 -0.95 0.00 0.00 178.83 178.74 1iku h GLU 48 N 0.09 0.14 -0.10 1.46 4.39 -1.77 -2.83 114.58 115.96 1iku h GLU 48 Ca 0.83 -0.08 0.01 0.00 0.34 0.00 0.00 59.36 60.45 1iku h GLU 48 Cb 2.35 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 31.00 1iku h GLU 48 CO -0.58 0.64 0.03 0.35 -1.16 0.00 0.00 179.01 178.29 1iku h PHE 49 N -0.36 0.05 -0.64 4.33 3.57 0.12 -2.04 116.94 121.97 1iku h PHE 49 Ca 0.00 0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.63 1iku h PHE 49 Cb 0.63 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.33 1iku h PHE 49 CO 0.11 0.02 0.43 0.37 -2.23 0.00 0.00 178.31 177.01 1iku h GLN 50 N 0.07 0.37 -0.27 1.11 4.15 -1.25 0.14 115.11 119.43 1iku h GLN 50 Ca 0.04 -0.02 -0.16 0.00 0.77 0.00 0.00 58.65 59.28 1iku h GLN 50 Cb 0.03 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.63 1iku h GLN 50 CO -0.05 0.24 -0.47 1.15 -1.93 0.00 0.00 178.83 177.77 1iku h THR 51 N 0.38 1.29 0.02 2.39 2.02 -1.12 -2.04 112.91 115.86 1iku h THR 51 Ca 0.30 -1.67 -0.24 0.00 0.77 0.00 0.00 66.41 65.57 1iku h THR 51 Cb 0.66 1.59 0.01 0.00 -1.74 0.00 0.00 68.15 68.67 1iku h THR 51 CO -0.08 0.54 -1.01 0.40 0.37 0.00 0.00 175.52 175.73 1iku h ILE 52 N 0.58 1.38 -0.18 3.11 2.04 -0.65 -1.89 117.51 121.90 1iku h ILE 52 Ca 0.03 -2.47 -0.08 0.00 1.00 0.00 0.00 64.86 63.34 1iku h ILE 52 Cb 1.04 2.49 -0.01 0.00 -0.74 0.00 0.00 36.82 39.59 1iku h ILE 52 CO 0.10 0.74 -0.23 0.22 0.00 0.00 0.00 178.15 178.98 1iku h TYR 53 N 0.25 0.34 0.00 1.37 5.03 -0.75 -2.28 116.97 120.93 1iku h TYR 53 Ca -0.10 -0.06 -0.20 0.00 2.58 0.00 0.00 58.73 60.95 1iku h TYR 53 Cb 1.66 -0.09 -0.03 0.00 1.55 0.00 0.00 36.73 39.82 1iku h TYR 53 CO 0.07 0.53 -1.12 0.77 -1.32 0.00 0.00 178.16 177.09 1iku h SER 54 N 0.29 0.00 -0.39 -2.11 0.02 -1.36 -2.25 113.55 107.75 1iku h SER 54 Ca 0.05 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.84 1iku h SER 54 Cb 0.57 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.10 1iku h SER 54 CO 0.04 0.82 -0.39 0.50 -1.14 0.00 0.00 176.83 176.66 1iku h LYS 55 N 0.00 0.95 0.00 3.45 3.64 -1.09 -2.50 116.57 121.02 1iku h LYS 55 Ca -0.10 -0.50 -0.14 0.00 -1.27 0.00 0.00 60.65 58.64 1iku h LYS 55 Cb 1.71 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 33.52 1iku h LYS 55 CO 0.09 1.16 -1.05 0.74 -2.27 0.00 0.00 179.45 178.12 1iku h PHE 56 N 0.77 0.00 -2.22 1.91 0.04 -1.53 -3.39 116.94 112.53 1iku h PHE 56 Ca 0.06 0.00 -0.59 0.00 2.80 0.00 0.00 57.97 60.24 1iku h PHE 56 Cb 0.98 0.00 -0.41 0.00 2.20 0.00 0.00 35.95 38.73 1iku h PHE 56 CO 0.06 0.55 -0.79 1.19 -0.60 0.00 0.00 178.31 178.72 1iku n PHE 57 N -3.02 1.93 0.23 -0.55 3.72 -0.85 -4.27 117.46 114.66 1iku n PHE 57 Ca -0.05 -3.91 -0.15 0.00 -0.05 0.00 0.00 57.45 53.29 1iku n PHE 57 Cb 0.80 -0.44 -0.08 0.00 -0.94 0.00 0.00 39.48 38.82 1iku n PHE 57 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1iku h PRO 58 N 4.32 -0.53 0.00 -1.08 0.11 -1.66 -1.92 132.00 131.23 1iku h PRO 58 Ca 0.15 0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.30 1iku h PRO 58 Cb 0.76 0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.99 1iku h PRO 58 CO 0.67 -0.30 0.00 -1.91 -0.21 0.00 0.00 178.00 176.25 1iku n GLU 59 N -5.28 0.11 -4.72 1.05 2.13 -1.26 -4.56 120.64 108.10 1iku n GLU 59 Ca -0.11 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.41 1iku n GLU 59 Cb 0.26 -1.16 -0.14 0.00 0.27 0.00 0.00 31.44 30.67 1iku n GLU 59 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1iku s ALA 60 N -2.00 2.41 1.04 4.31 0.00 -0.72 -5.09 121.76 121.71 1iku s ALA 60 Ca 0.02 -1.28 -0.13 0.00 0.00 0.00 0.00 51.96 50.57 1iku s ALA 60 Cb 0.01 -0.56 0.16 0.00 0.00 0.00 0.00 23.12 22.73 1iku s ALA 60 CO 0.01 0.55 0.77 -0.25 0.00 0.00 0.00 175.76 176.85 1iku n ASP 61 N 1.53 -1.22 0.05 0.00 9.92 -1.26 -4.74 116.55 120.83 1iku n ASP 61 Ca -0.17 0.14 0.03 0.00 -0.53 0.00 0.00 54.79 54.26 1iku n ASP 61 Cb 0.52 -1.28 0.14 0.00 -0.64 0.00 0.00 41.12 39.86 1iku n ASP 61 CO 0.00 0.00 0.00 -2.65 0.13 0.00 0.00 177.20 174.68 1iku n PRO 62 N -3.60 0.03 -2.65 -0.24 -0.02 -1.26 -3.70 135.00 123.56 1iku n PRO 62 Ca 0.06 0.43 -0.04 0.00 -2.02 0.00 0.00 63.50 61.94 1iku n PRO 62 Cb 0.54 -1.78 0.06 0.00 -0.02 0.00 0.00 33.50 32.31 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 -1.60 0.02 0.00 -0.52 2.85 -1.26 -4.76 118.16 112.89 1iku n LYS 63 Ca -0.00 -0.53 0.00 0.00 -1.05 0.00 0.00 58.31 56.73 1iku n LYS 63 Cb 0.18 0.18 0.00 0.00 -0.65 0.00 0.00 35.03 34.73 1iku n LYS 63 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1iku n ALA 64 N 1.94 -0.07 -0.09 0.58 0.00 -1.24 -3.88 120.51 117.75 1iku n ALA 64 Ca 0.05 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.26 1iku n ALA 64 Cb 0.70 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 20.03 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 -0.84 1.02 0.00 0.00 4.19 -1.26 -3.90 117.16 116.37 1iku n TYR 65 Ca 0.00 0.41 0.00 0.00 3.31 0.00 0.00 57.90 61.62 1iku n TYR 65 Cb 0.00 -1.11 0.00 0.00 0.49 0.00 0.00 39.34 38.73 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 -3.39 0.49 0.02 2.98 0.00 -1.26 -1.76 120.51 117.59 1iku n ALA 66 Ca -0.33 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.01 1iku n ALA 66 Cb 0.74 -0.49 -0.04 0.00 0.00 0.00 0.00 19.45 19.66 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 -0.27 0.50 0.00 5.75 -1.68 0.07 115.11 119.48 1iku h GLN 67 Ca 0.00 0.02 -0.02 0.00 -0.15 0.00 0.00 58.65 58.50 1iku h GLN 67 Cb 0.51 0.06 0.00 0.00 1.07 0.00 0.00 27.48 29.12 1iku h GLN 67 CO 0.00 -0.18 -0.26 1.25 -2.65 0.00 0.00 178.83 176.98 1iku h HIS 68 N -0.28 -0.68 -0.61 3.99 2.76 -1.63 -1.06 115.15 117.63 1iku h HIS 68 Ca 0.08 -0.01 0.11 0.00 -2.20 0.00 0.00 60.37 58.35 1iku h HIS 68 Cb 0.41 0.23 -0.12 0.00 1.55 0.00 0.00 27.41 29.48 1iku h HIS 68 CO -0.29 -0.42 -0.30 0.28 -1.30 0.00 0.00 177.93 175.90 1iku h VAL 69 N -0.71 0.20 -0.90 5.26 2.07 -1.65 0.47 116.25 121.00 1iku h VAL 69 Ca -0.07 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.52 1iku h VAL 69 Cb 0.55 0.20 -0.06 0.00 -1.52 0.00 0.00 31.29 30.46 1iku h VAL 69 CO 0.10 0.00 0.59 0.15 0.02 0.00 0.00 177.57 178.42 1iku h PHE 70 N -0.13 1.04 -0.63 1.57 3.04 -0.77 -1.71 116.94 119.35 1iku h PHE 70 Ca 0.25 0.03 -0.09 0.00 3.98 0.00 0.00 57.97 62.14 1iku h PHE 70 Cb 0.54 -0.34 -0.02 0.00 2.56 0.00 0.00 35.95 38.69 1iku h PHE 70 CO -0.62 0.55 0.05 -0.09 -2.02 0.00 0.00 178.31 176.18 1iku h ARG 71 N 1.03 1.08 0.35 1.11 9.65 0.11 -2.76 114.38 124.95 1iku h ARG 71 Ca 0.38 -0.32 -0.00 0.00 -1.10 0.00 0.00 59.98 58.94 1iku h ARG 71 Cb 0.18 -0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 28.63 1iku h ARG 71 CO -0.14 1.02 -0.35 0.66 2.80 0.00 0.00 179.97 183.97 1iku h SER 72 N 0.99 -0.93 0.00 -3.80 4.64 0.28 0.37 113.55 115.10 1iku h SER 72 Ca 0.19 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 1iku h SER 72 Cb 0.50 0.31 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 1iku h SER 72 CO 0.02 -0.49 0.06 -0.26 -0.87 0.00 0.00 176.83 175.30 1iku h PHE 73 N -0.72 0.00 -2.72 4.77 -1.00 -1.46 -3.48 116.94 112.33 1iku h PHE 73 Ca -0.02 0.00 0.31 0.00 2.81 0.00 0.00 57.97 61.07 1iku h PHE 73 Cb 0.65 0.00 -0.10 0.00 3.61 0.00 0.00 35.95 40.12 1iku h PHE 73 CO -0.20 0.00 -0.55 -3.47 -1.61 0.00 0.00 178.31 172.48 1iku n ASP 74 N -2.52 -6.92 0.00 2.17 -0.08 0.12 -4.87 116.55 104.44 1iku n ASP 74 Ca -0.02 0.61 0.00 0.00 -1.51 0.00 0.00 54.79 53.87 1iku n ASP 74 Cb 0.11 -3.80 0.00 0.00 2.34 0.00 0.00 41.12 39.76 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 -2.40 0.00 -2.70 -1.67 0.00 -1.26 -4.78 120.51 107.71 1iku n ALA 75 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.40 1iku n ALA 75 Cb 0.64 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.06 1iku n ALA 75 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1iku n ASN 76 N 0.00 -3.84 0.00 0.00 2.85 -1.26 -0.86 115.26 112.15 1iku n ASN 76 Ca 0.00 1.33 0.00 0.00 -0.11 0.00 0.00 54.58 55.80 1iku n ASN 76 Cb 0.04 -4.97 0.00 0.00 1.24 0.00 0.00 39.78 36.09 1iku n ASN 76 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1iku n SER 77 N 1.37 0.00 -2.73 1.20 7.64 -1.26 -0.59 113.62 119.25 1iku n SER 77 Ca -0.23 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.60 1iku n SER 77 Cb 0.38 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.63 1iku n SER 77 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1iku n ASP 78 N 2.00 0.83 -0.75 6.43 5.75 -1.26 -5.10 116.55 124.45 1iku n ASP 78 Ca 0.00 -2.37 0.00 0.00 -0.01 0.00 0.00 54.79 52.41 1iku n ASP 78 Cb 0.00 -0.22 0.00 0.00 -1.03 0.00 0.00 41.12 39.87 1iku n ASP 78 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1iku n GLY 79 N -0.47 1.28 3.29 6.12 0.00 0.24 -5.00 105.19 110.65 1iku n GLY 79 Ca 0.04 -1.56 -0.16 0.00 0.00 0.00 0.00 46.02 44.34 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 1.61 0.38 0.05 2.61 -4.23 -1.25 -4.59 115.64 110.21 1iku s THR 80 Ca 0.00 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.47 1iku s THR 80 Cb 0.00 -2.58 -0.02 0.00 1.34 0.00 0.00 72.50 71.24 1iku s THR 80 CO 0.00 0.00 0.06 -1.48 -0.54 0.00 0.00 174.62 172.66 1iku s LEU 81 N -3.29 2.01 0.31 4.79 0.05 -0.37 -4.84 118.68 117.33 1iku s LEU 81 Ca 0.38 -0.70 -0.29 0.00 0.05 0.00 0.00 54.13 53.57 1iku s LEU 81 Cb 0.07 0.50 -0.10 0.00 -2.05 0.00 0.00 46.19 44.61 1iku s LEU 81 CO 0.14 -0.56 1.15 -1.81 -0.55 0.00 0.00 176.35 174.73 1iku s ASP 82 N -2.45 7.06 -0.18 1.48 1.11 -1.26 -1.48 116.67 120.95 1iku s ASP 82 Ca -0.00 2.37 -0.15 0.00 0.18 0.00 0.00 52.55 54.95 1iku s ASP 82 Cb 0.02 -2.63 -0.10 0.00 1.07 0.00 0.00 42.92 41.29 1iku s ASP 82 CO -0.07 -0.30 -0.08 0.33 1.18 0.00 0.00 175.17 176.23 1iku n PHE 83 N 0.95 0.77 -0.25 4.23 7.35 -1.06 -3.71 117.46 125.74 1iku n PHE 83 Ca -0.00 0.34 -0.03 0.00 -0.76 0.00 0.00 57.45 57.00 1iku n PHE 83 Cb 0.44 -0.87 0.03 0.00 0.35 0.00 0.00 39.48 39.43 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 -0.09 -0.66 -4.13 1.57 -1.94 0.19 116.57 110.52 1iku h LYS 84 Ca -0.18 0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.56 1iku h LYS 84 Cb 0.93 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.23 1iku h LYS 84 CO -0.11 -0.06 0.23 0.93 -0.57 0.00 0.00 179.45 179.87 1iku h GLU 85 N -0.09 1.01 -0.34 3.15 5.08 -1.98 -2.01 114.58 119.39 1iku h GLU 85 Ca 0.29 -0.20 0.03 0.00 -1.00 0.00 0.00 59.36 58.48 1iku h GLU 85 Cb 0.56 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 1iku h GLU 85 CO -0.76 0.86 0.23 -0.92 -1.00 0.00 0.00 179.01 177.42 1iku h TYR 86 N 0.95 0.32 0.48 4.33 3.20 -0.86 -2.65 116.97 122.74 1iku h TYR 86 Ca 0.22 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.07 1iku h TYR 86 Cb 0.26 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.42 1iku h TYR 86 CO 0.02 0.19 -0.23 0.28 -1.64 0.00 0.00 178.16 176.78 1iku h VAL 87 N 0.33 0.05 -0.70 1.81 2.07 -0.05 -2.89 116.25 116.88 1iku h VAL 87 Ca 0.14 -0.54 0.07 0.00 0.82 0.00 0.00 66.70 67.19 1iku h VAL 87 Cb 0.16 0.08 -0.09 0.00 -1.52 0.00 0.00 31.29 29.92 1iku h VAL 87 CO -0.03 0.01 -0.51 0.40 0.02 0.00 0.00 177.57 177.46 1iku h ILE 88 N -1.15 0.00 -0.76 4.57 2.04 -1.25 0.41 117.51 121.36 1iku h ILE 88 Ca -0.07 0.00 0.17 0.00 1.00 0.00 0.00 64.86 65.97 1iku h ILE 88 Cb 0.51 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.46 1iku h ILE 88 CO 0.11 0.00 -0.01 0.00 0.00 0.00 0.00 178.15 178.25 1iku h ALA 89 N 0.15 0.78 -0.53 1.87 0.00 -1.58 0.19 119.26 120.13 1iku h ALA 89 Ca 0.11 0.25 0.01 0.00 0.00 0.00 0.00 54.91 55.28 1iku h ALA 89 Cb 0.42 0.43 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 1iku h ALA 89 CO -0.73 -0.43 0.35 -0.07 0.00 0.00 0.00 179.25 178.37 1iku h LEU 90 N 0.09 0.60 -0.40 0.00 3.38 -0.12 -2.78 115.31 116.08 1iku h LEU 90 Ca 0.42 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.39 1iku h LEU 90 Cb 0.73 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 1iku h LEU 90 CO -0.68 0.43 0.24 0.45 0.09 0.00 0.00 178.44 178.97 1iku h HIS 91 N 0.71 0.45 0.00 1.13 3.86 0.21 -3.39 115.15 118.12 1iku h HIS 91 Ca 0.20 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.42 1iku h HIS 91 Cb -0.07 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 28.26 1iku h HIS 91 CO -0.04 0.26 0.00 -1.33 0.86 0.00 0.00 177.93 177.68 1iku n MET 92 N -4.86 0.00 -1.51 2.45 2.81 -0.31 -4.35 117.12 111.35 1iku n MET 92 Ca 0.01 0.00 -0.26 0.00 -1.81 0.00 0.00 57.70 55.64 1iku n MET 92 Cb 0.06 0.00 -0.17 0.00 -0.71 0.00 0.00 33.22 32.40 1iku n MET 92 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 1iku n THR 93 N 0.00 -0.01 -0.10 2.03 5.66 -1.21 -3.46 114.28 117.19 1iku n THR 93 Ca 0.00 -0.40 0.00 0.00 -3.05 0.00 0.00 64.05 60.60 1iku n THR 93 Cb 0.00 -0.69 0.00 0.00 -1.55 0.00 0.00 70.33 68.09 1iku n THR 93 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1iku n SER 94 N 9.81 0.00 -3.71 1.09 7.64 -1.26 -4.80 113.62 122.39 1iku n SER 94 Ca 0.61 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 60.44 1iku n SER 94 Cb 0.19 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.38 1iku n SER 94 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1iku s ALA 95 N 0.00 -1.63 0.00 -0.43 0.00 -1.23 -4.50 121.76 113.98 1iku s ALA 95 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 51.96 52.20 1iku s ALA 95 Cb 0.00 0.64 0.00 0.00 0.00 0.00 0.00 23.12 23.76 1iku s ALA 95 CO 0.00 -0.97 0.00 0.41 0.00 0.00 0.00 175.76 175.20 1iku n GLY 96 N -0.43 0.87 1.60 0.00 0.00 -1.26 -5.02 105.19 100.96 1iku n GLY 96 Ca -0.07 -0.31 0.01 0.00 0.00 0.00 0.00 46.02 45.64 1iku n GLY 96 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1iku n LYS 97 N 0.00 -4.15 0.00 1.61 4.01 -1.26 -4.76 118.16 113.61 1iku n LYS 97 Ca 0.00 3.23 0.00 0.00 -0.51 0.00 0.00 58.31 61.03 1iku n LYS 97 Cb 0.00 -4.07 0.00 0.00 -0.51 0.00 0.00 35.03 30.45 1iku n LYS 97 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 1iku n THR 98 N -2.71 0.00 -0.07 -0.18 -1.04 -1.26 -4.46 114.28 104.57 1iku n THR 98 Ca -0.00 0.00 0.19 0.00 -2.04 0.00 0.00 64.05 62.20 1iku n THR 98 Cb 0.50 -0.32 0.29 0.00 -1.82 0.00 0.00 70.33 68.98 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 -0.22 0.00 -0.03 8.00 6.94 -1.26 0.13 115.26 128.82 1iku n ASN 99 Ca 0.00 0.63 -0.16 0.00 -0.02 0.00 0.00 54.58 55.03 1iku n ASN 99 Cb 0.00 -0.18 -0.08 0.00 -2.36 0.00 0.00 39.78 37.16 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 0.57 0.03 -3.83 4.15 -1.93 -2.82 115.11 111.28 1iku h GLN 100 Ca 0.33 -0.45 -0.11 0.00 0.77 0.00 0.00 58.65 59.19 1iku h GLN 100 Cb 2.46 0.09 0.01 0.00 0.21 0.00 0.00 27.48 30.25 1iku h GLN 100 CO -0.00 1.07 -0.47 -0.22 -1.93 0.00 0.00 178.83 177.28 1iku h LYS 101 N 0.20 0.26 0.15 1.69 1.63 0.89 -3.30 116.57 118.10 1iku h LYS 101 Ca -0.03 -0.32 -0.01 0.00 -0.85 0.00 0.00 60.65 59.44 1iku h LYS 101 Cb 1.16 0.10 -0.00 0.00 -0.60 0.00 0.00 32.23 32.89 1iku h LYS 101 CO 0.11 1.06 -0.11 -0.07 -3.45 0.00 0.00 179.45 176.99 1iku h LEU 102 N -0.39 -0.27 -1.09 5.20 3.38 -1.52 -2.51 115.31 118.10 1iku h LEU 102 Ca -0.07 0.02 0.40 0.00 0.09 0.00 0.00 57.88 58.32 1iku h LEU 102 Cb 1.25 0.08 -0.13 0.00 0.09 0.00 0.00 40.66 41.95 1iku h LEU 102 CO 0.09 -0.16 0.67 -0.62 0.09 0.00 0.00 178.44 178.51 1iku n GLU 103 N -2.87 -0.04 0.27 1.13 -0.58 -1.06 0.43 120.64 117.91 1iku n GLU 103 Ca -0.03 1.13 -0.14 0.00 -0.42 0.00 0.00 57.16 57.69 1iku n GLU 103 Cb 0.11 -2.15 -0.08 0.00 -0.57 0.00 0.00 31.44 28.75 1iku n GLU 103 CO 0.00 0.00 0.00 2.35 -0.48 0.00 0.00 177.13 179.00 1iku h TRP 104 N 0.00 -0.65 -0.62 -0.32 7.01 -1.55 -0.67 115.95 119.15 1iku h TRP 104 Ca 0.76 -0.02 0.07 0.00 2.11 0.00 0.00 58.89 61.82 1iku h TRP 104 Cb 2.30 0.22 -0.06 0.00 -2.10 0.00 0.00 29.16 29.51 1iku h TRP 104 CO -0.01 -0.33 0.29 0.00 -2.79 0.00 0.00 178.44 175.61 1iku h ALA 105 N -0.71 0.81 -0.51 2.65 0.00 0.39 0.12 119.26 122.01 1iku h ALA 105 Ca -0.07 0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.93 1iku h ALA 105 Cb 0.62 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 1iku h ALA 105 CO 0.12 -0.09 0.26 0.35 0.00 0.00 0.00 179.25 179.89 1iku h PHE 106 N 0.53 0.48 -0.39 0.00 3.04 -0.76 -1.85 116.94 117.99 1iku h PHE 106 Ca 0.29 0.02 -0.11 0.00 3.98 0.00 0.00 57.97 62.16 1iku h PHE 106 Cb 0.28 -0.14 -0.01 0.00 2.56 0.00 0.00 35.95 38.63 1iku h PHE 106 CO -0.12 0.23 -0.20 0.66 -2.02 0.00 0.00 178.31 176.86 1iku h SER 107 N 0.51 0.76 -0.37 0.41 4.64 -0.20 0.59 113.55 119.89 1iku h SER 107 Ca 0.23 -0.26 0.07 0.00 -0.47 0.00 0.00 61.79 61.35 1iku h SER 107 Cb 0.14 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.00 1iku h SER 107 CO -0.16 0.95 0.25 0.25 -0.87 0.00 0.00 176.83 177.25 1iku h LEU 108 N 0.66 0.19 0.02 5.97 5.85 -0.01 -2.39 115.31 125.60 1iku h LEU 108 Ca 0.10 0.00 -0.32 0.00 0.84 0.00 0.00 57.88 58.49 1iku h LEU 108 Cb 0.70 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.64 1iku h LEU 108 CO 0.05 0.12 -1.93 -1.22 -0.34 0.00 0.00 178.44 175.13 1iku n TYR 109 N -4.47 0.78 -1.61 1.25 4.01 -0.86 -4.43 117.16 111.83 1iku n TYR 109 Ca 0.05 0.26 -0.15 0.00 -0.16 0.00 0.00 57.90 57.90 1iku n TYR 109 Cb 0.29 -1.14 -0.09 0.00 -0.31 0.00 0.00 39.34 38.09 1iku n TYR 109 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1iku s ASP 110 N -6.11 3.65 -0.21 7.72 2.15 0.16 -4.57 116.67 119.47 1iku s ASP 110 Ca -0.10 -0.56 -0.17 0.00 0.43 0.00 0.00 52.55 52.16 1iku s ASP 110 Cb 0.07 -2.58 -0.08 0.00 -0.30 0.00 0.00 42.92 40.04 1iku s ASP 110 CO 0.81 -4.37 -0.35 1.33 -0.17 0.00 0.00 175.17 172.42 1iku n VAL 111 N 8.92 1.50 -1.40 1.11 0.24 -1.26 -4.77 118.33 122.67 1iku n VAL 111 Ca 0.44 -0.02 0.00 0.00 -2.04 0.00 0.00 64.34 62.72 1iku n VAL 111 Cb 0.45 -2.20 0.00 0.00 -1.47 0.00 0.00 33.84 30.62 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 -4.39 0.00 -1.91 -1.34 9.92 -1.26 -4.91 116.55 112.66 1iku n ASP 112 Ca -0.26 -1.00 -0.08 0.00 -0.53 0.00 0.00 54.79 52.91 1iku n ASP 112 Cb 0.63 0.00 -0.12 0.00 -0.64 0.00 0.00 41.12 40.99 1iku n ASP 112 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1iku n GLY 113 N 0.00 2.73 5.02 0.44 0.00 -1.26 -4.82 105.19 107.30 1iku n GLY 113 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.18 1iku n GLY 113 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1iku n ASN 114 N 2.29 0.00 -2.05 1.61 5.03 -1.26 -2.16 115.26 118.71 1iku n ASN 114 Ca 0.30 0.00 -0.01 0.00 0.87 0.00 0.00 54.58 55.73 1iku n ASN 114 Cb 0.76 0.00 -0.02 0.00 -1.02 0.00 0.00 39.78 39.50 1iku n ASN 114 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1iku n GLY 115 N 0.00 -0.98 3.28 7.41 0.00 -1.26 -5.02 105.19 108.62 1iku n GLY 115 Ca 0.00 -0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 0.00 0.02 0.07 2.61 -4.23 -0.92 -4.06 115.64 109.14 1iku s THR 116 Ca 0.00 -1.80 0.04 0.00 -1.18 0.00 0.00 61.69 58.75 1iku s THR 116 Cb 0.01 -2.29 -0.03 0.00 1.34 0.00 0.00 72.50 71.53 1iku s THR 116 CO -0.00 -0.11 -0.11 -0.51 -0.54 0.00 0.00 174.62 173.35 1iku s ILE 117 N -4.09 0.86 0.42 2.99 2.07 -0.93 -4.77 121.20 117.74 1iku s ILE 117 Ca 0.31 -1.35 0.07 0.00 -1.41 0.00 0.00 60.65 58.27 1iku s ILE 117 Cb 0.05 -1.02 -0.05 0.00 0.13 0.00 0.00 42.46 41.58 1iku s ILE 117 CO 0.08 -0.40 0.22 -0.94 -1.91 0.00 0.00 174.94 171.99 1iku s SER 118 N -1.94 4.54 0.14 4.50 1.04 -1.26 -2.49 113.70 118.23 1iku s SER 118 Ca -0.02 -1.02 -0.19 0.00 0.48 0.00 0.00 55.95 55.20 1iku s SER 118 Cb -0.07 -0.48 0.02 0.00 0.10 0.00 0.00 66.02 65.58 1iku s SER 118 CO 0.01 -0.57 1.70 0.50 0.98 0.00 0.00 173.24 175.86 1iku h LYS 119 N 1.35 0.05 -0.98 4.02 1.63 -1.93 -1.25 116.57 119.46 1iku h LYS 119 Ca -0.42 -0.00 0.33 0.00 -0.85 0.00 0.00 60.65 59.71 1iku h LYS 119 Cb 1.26 -0.01 -0.16 0.00 -0.60 0.00 0.00 32.23 32.71 1iku h LYS 119 CO 0.68 0.03 0.45 -0.91 -3.45 0.00 0.00 179.45 176.25 1iku h ASN 120 N 0.05 0.28 -0.34 4.20 4.21 -1.99 0.98 115.58 122.96 1iku h ASN 120 Ca 0.13 0.22 -0.04 0.00 1.21 0.00 0.00 56.30 57.82 1iku h ASN 120 Cb 0.18 0.23 -0.01 0.00 -1.12 0.00 0.00 38.32 37.60 1iku h ASN 120 CO -0.24 -0.25 0.06 -0.33 -1.29 0.00 0.00 177.43 175.37 1iku h GLU 121 N 0.18 0.56 -0.65 0.81 4.39 -1.64 -2.28 114.58 115.95 1iku h GLU 121 Ca 0.73 -0.15 0.05 0.00 0.34 0.00 0.00 59.36 60.33 1iku h GLU 121 Cb 1.72 -0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 30.25 1iku h GLU 121 CO -0.70 0.64 0.37 0.28 -1.16 0.00 0.00 179.01 178.44 1iku h VAL 122 N 0.39 0.99 -0.31 3.13 2.07 0.12 -1.85 116.25 120.80 1iku h VAL 122 Ca 0.10 -0.24 0.06 0.00 0.82 0.00 0.00 66.70 67.45 1iku h VAL 122 Cb 0.35 0.24 -0.06 0.00 -1.52 0.00 0.00 31.29 30.30 1iku h VAL 122 CO 0.01 0.13 -0.08 0.25 0.02 0.00 0.00 177.57 177.89 1iku h LEU 123 N 0.69 -0.29 -0.37 2.57 5.85 -0.61 -0.16 115.31 122.99 1iku h LEU 123 Ca 0.28 0.09 0.07 0.00 0.84 0.00 0.00 57.88 59.17 1iku h LEU 123 Cb 0.14 0.19 -0.09 0.00 0.37 0.00 0.00 40.66 41.28 1iku h LEU 123 CO -0.16 -0.10 -0.36 -0.33 -0.34 0.00 0.00 178.44 177.14 1iku h GLU 124 N -0.00 -0.29 -0.15 1.25 5.08 -0.77 0.54 114.58 120.24 1iku h GLU 124 Ca 0.15 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.57 1iku h GLU 124 Cb 0.23 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 1iku h GLU 124 CO -0.32 -0.19 -0.10 0.82 -1.00 0.00 0.00 179.01 178.21 1iku h ILE 125 N -0.30 0.69 -0.23 3.13 2.04 -1.05 -0.02 117.51 121.77 1iku h ILE 125 Ca 0.15 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.06 1iku h ILE 125 Cb 0.56 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 1iku h ILE 125 CO -0.53 0.00 0.16 0.58 0.00 0.00 0.00 178.15 178.36 1iku h VAL 126 N -0.11 0.92 0.00 1.67 2.07 0.20 -0.27 116.25 120.74 1iku h VAL 126 Ca 0.09 -0.03 -0.13 0.00 0.82 0.00 0.00 66.70 67.46 1iku h VAL 126 Cb 0.24 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 1iku h VAL 126 CO -0.22 0.01 -0.61 0.74 0.02 0.00 0.00 177.57 177.51 1iku h THR 127 N 0.07 1.21 0.23 2.57 2.02 0.18 -2.21 112.91 116.98 1iku h THR 127 Ca 0.11 -2.28 -0.01 0.00 0.77 0.00 0.00 66.41 64.99 1iku h THR 127 Cb 0.33 2.31 0.00 0.00 -1.74 0.00 0.00 68.15 69.06 1iku h THR 127 CO -0.01 0.60 -0.11 0.00 0.37 0.00 0.00 175.52 176.37 1iku h ALA 128 N 1.39 -0.31 -0.54 6.16 0.00 0.41 -1.86 119.26 124.50 1iku h ALA 128 Ca -0.01 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 1iku h ALA 128 Cb 1.27 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.16 1iku h ALA 128 CO 0.08 -0.49 -0.03 0.82 0.00 0.00 0.00 179.25 179.64 1iku h ILE 129 N -0.69 1.26 -0.37 0.00 2.04 -1.56 -2.74 117.51 115.46 1iku h ILE 129 Ca -0.03 -1.13 0.01 0.00 1.00 0.00 0.00 64.86 64.70 1iku h ILE 129 Cb 0.48 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.41 1iku h ILE 129 CO 0.05 0.40 0.24 0.15 0.00 0.00 0.00 178.15 178.99 1iku h PHE 130 N 0.87 0.45 -0.86 1.37 3.57 -1.41 -1.30 116.94 119.62 1iku h PHE 130 Ca 0.15 0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.78 1iku h PHE 130 Cb 0.55 -0.15 -0.06 0.00 2.79 0.00 0.00 35.95 39.08 1iku h PHE 130 CO 0.03 0.28 0.55 0.87 -2.23 0.00 0.00 178.31 177.82 1iku h LYS 131 N 0.48 0.74 -0.44 1.11 1.57 -1.14 -0.99 116.57 117.89 1iku h LYS 131 Ca 0.14 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.89 1iku h LYS 131 Cb -0.04 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.07 1iku h LYS 131 CO -0.04 0.49 0.27 0.52 -0.57 0.00 0.00 179.45 180.12 1iku h MET 132 N 0.76 0.54 -6.18 3.15 2.86 -0.95 -3.41 114.93 111.70 1iku h MET 132 Ca 0.41 -0.03 -0.60 0.00 -2.06 0.00 0.00 59.70 57.42 1iku h MET 132 Cb 0.53 -0.12 0.01 0.00 0.06 0.00 0.00 31.60 32.08 1iku h MET 132 CO -0.17 0.35 1.28 -0.89 1.06 0.00 0.00 176.91 178.54 1iku n ILE 133 N -4.82 0.51 -1.52 -1.22 5.41 -0.38 -4.78 119.36 112.57 1iku n ILE 133 Ca 0.02 -0.23 -0.49 0.00 1.00 0.00 0.00 62.75 63.05 1iku n ILE 133 Cb 0.05 -2.11 -0.04 0.00 -0.71 0.00 0.00 39.64 36.83 1iku n ILE 133 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1iku n SER 134 N 8.58 0.44 0.00 4.38 2.88 -1.26 -4.69 113.62 123.95 1iku n SER 134 Ca 0.27 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.95 1iku n SER 134 Cb 0.35 -1.12 0.00 0.00 -0.75 0.00 0.00 64.21 62.69 1iku n SER 134 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 1iku n PRO 135 N 1.30 0.00 -0.09 -1.46 -0.02 -1.26 -1.66 135.00 131.81 1iku n PRO 135 Ca 0.15 0.29 -0.16 0.00 -2.02 0.00 0.00 63.50 61.77 1iku n PRO 135 Cb 0.24 -1.63 -0.08 0.00 -0.02 0.00 0.00 33.50 32.01 1iku n PRO 135 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1iku h GLU 136 N 0.00 0.00 0.00 -0.52 4.81 -2.00 -3.34 114.58 113.52 1iku h GLU 136 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1iku h GLU 136 Cb 0.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.64 1iku h GLU 136 CO 0.00 0.64 0.00 -0.25 -0.73 0.00 0.00 179.01 178.67 1iku n ASP 137 N -4.50 0.00 0.20 1.04 8.00 -0.66 -1.05 116.55 119.58 1iku n ASP 137 Ca -0.23 0.41 0.09 0.00 0.71 0.00 0.00 54.79 55.77 1iku n ASP 137 Cb 0.53 -0.44 0.28 0.00 -0.02 0.00 0.00 41.12 41.47 1iku n ASP 137 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 1iku h THR 138 N 0.00 0.42 0.00 -3.53 2.02 -1.59 -3.07 112.91 107.17 1iku h THR 138 Ca 0.00 -1.34 -0.14 0.00 0.77 0.00 0.00 66.41 65.70 1iku h THR 138 Cb 0.09 2.00 -0.02 0.00 -1.74 0.00 0.00 68.15 68.47 1iku h THR 138 CO 0.00 0.21 -0.65 0.50 0.37 0.00 0.00 175.52 175.95 1iku h LYS 139 N 0.00 0.00 0.00 6.66 3.11 -1.26 -3.02 116.57 122.06 1iku h LYS 139 Ca -0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1iku h LYS 139 Cb 0.98 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.21 1iku h LYS 139 CO 0.03 0.65 0.00 0.45 -2.81 0.00 0.00 179.45 177.77 1iku h HIS 140 N 0.00 0.00 -3.29 1.91 3.86 -1.65 -3.45 115.15 112.53 1iku h HIS 140 Ca -0.01 0.00 -0.58 0.00 -1.16 0.00 0.00 60.37 58.63 1iku h HIS 140 Cb 1.29 0.00 0.17 0.00 1.06 0.00 0.00 27.41 29.92 1iku h HIS 140 CO 0.00 0.00 -0.12 1.28 0.86 0.00 0.00 177.93 179.95 1iku n LEU 141 N -2.97 2.34 0.00 2.43 4.77 -1.14 -4.94 117.00 117.48 1iku n LEU 141 Ca 0.02 0.77 -0.27 0.00 -0.03 0.00 0.00 56.01 56.50 1iku n LEU 141 Cb 0.38 -1.29 0.26 0.00 -2.33 0.00 0.00 43.42 40.44 1iku n LEU 141 CO 0.29 -2.42 0.31 -0.81 -1.33 0.00 0.00 177.39 173.43 1iku n PRO 142 N -0.57 -4.37 -0.06 3.23 -0.04 -1.26 -4.92 135.00 127.00 1iku n PRO 142 Ca 0.13 -1.30 0.12 0.00 -0.04 0.00 0.00 63.50 62.41 1iku n PRO 142 Cb 0.47 -1.75 0.20 0.00 -0.04 0.00 0.00 33.50 32.38 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 -5.13 2.28 0.00 0.54 1.02 -1.26 -4.05 120.64 114.03 1iku n GLU 143 Ca 0.12 -1.88 0.12 0.00 -0.02 0.00 0.00 57.16 55.50 1iku n GLU 143 Cb 0.54 -1.48 0.20 0.00 -0.02 0.00 0.00 31.44 30.68 1iku n GLU 143 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1iku n ASP 144 N 1.21 2.47 -2.70 1.62 9.92 -1.26 -4.64 116.55 123.17 1iku n ASP 144 Ca 0.16 -1.79 -0.06 0.00 -0.53 0.00 0.00 54.79 52.57 1iku n ASP 144 Cb 0.56 0.05 0.07 0.00 -0.64 0.00 0.00 41.12 41.17 1iku n ASP 144 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 1iku n GLU 145 N 0.86 0.45 -0.30 -1.24 0.28 -1.26 -4.86 120.64 114.58 1iku n GLU 145 Ca 0.15 -1.19 0.11 0.00 -0.16 0.00 0.00 57.16 56.06 1iku n GLU 145 Cb 0.52 -0.73 0.27 0.00 1.43 0.00 0.00 31.44 32.93 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 1.26 3.66 -3.92 -1.84 6.94 -1.26 -4.72 115.26 115.39 1iku n ASN 146 Ca 0.03 -1.99 -0.10 0.00 -0.02 0.00 0.00 54.58 52.50 1iku n ASN 146 Cb 0.69 -0.39 -0.11 0.00 -2.36 0.00 0.00 39.78 37.61 1iku n ASN 146 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1iku s THR 147 N -1.10 0.08 0.57 5.53 -4.23 -1.26 -5.01 115.64 110.22 1iku s THR 147 Ca 0.42 -0.70 0.27 0.00 -1.18 0.00 0.00 61.69 60.50 1iku s THR 147 Cb 0.23 -0.31 0.36 0.00 1.34 0.00 0.00 72.50 74.12 1iku s THR 147 CO 0.30 -0.38 2.09 -0.65 -0.54 0.00 0.00 174.62 175.43 1iku h PRO 148 N 4.70 0.00 0.10 3.99 0.10 -1.92 0.31 132.00 139.27 1iku h PRO 148 Ca -0.30 0.00 -0.28 0.00 0.10 0.00 0.00 66.00 65.51 1iku h PRO 148 Cb 1.20 0.00 0.02 0.00 0.10 0.00 0.00 31.00 32.32 1iku h PRO 148 CO 0.42 0.00 -1.19 0.93 0.10 0.00 0.00 178.00 178.26 1iku h GLU 149 N 0.00 0.54 0.00 1.05 5.08 -1.96 -1.42 114.58 117.86 1iku h GLU 149 Ca 0.10 -0.71 -0.07 0.00 -1.00 0.00 0.00 59.36 57.69 1iku h GLU 149 Cb 0.53 0.23 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 1iku h GLU 149 CO -0.00 1.30 -0.35 0.87 -1.00 0.00 0.00 179.01 179.84 1iku h LYS 150 N 0.24 0.00 0.04 2.33 1.79 -1.51 -2.20 116.57 117.27 1iku h LYS 150 Ca -0.16 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.20 1iku h LYS 150 Cb 1.86 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 32.52 1iku h LYS 150 CO 0.22 0.35 -0.45 -0.09 -1.08 0.00 0.00 179.45 178.39 1iku h ARG 151 N 0.00 0.24 -0.13 3.15 2.43 -0.46 -2.78 114.38 116.82 1iku h ARG 151 Ca -0.00 -0.31 -0.10 0.00 -0.81 0.00 0.00 59.98 58.75 1iku h ARG 151 Cb 1.19 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.83 1iku h ARG 151 CO 0.05 1.07 -0.38 0.00 -1.51 0.00 0.00 179.97 179.19 1iku h ALA 152 N 0.19 1.12 -0.32 2.80 0.00 -1.30 -2.80 119.26 118.94 1iku h ALA 152 Ca -0.07 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 1iku h ALA 152 Cb 1.26 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1iku h ALA 152 CO 0.09 0.58 0.11 0.93 0.00 0.00 0.00 179.25 180.95 1iku h GLU 153 N 0.24 0.49 -0.32 0.00 5.08 -1.46 0.29 114.58 118.89 1iku h GLU 153 Ca 0.02 -0.10 0.06 0.00 -1.00 0.00 0.00 59.36 58.35 1iku h GLU 153 Cb 0.78 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.90 1iku h GLU 153 CO 0.06 0.52 -0.09 -0.22 -1.00 0.00 0.00 179.01 178.27 1iku h LYS 154 N 0.36 -0.02 -0.02 2.33 1.63 -1.27 1.67 116.57 121.25 1iku h LYS 154 Ca 0.10 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.90 1iku h LYS 154 Cb 0.22 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.86 1iku h LYS 154 CO -0.01 -0.01 0.01 0.82 -3.45 0.00 0.00 179.45 176.81 1iku h ILE 155 N -0.02 1.17 0.00 2.00 2.04 -1.26 -2.14 117.51 119.30 1iku h ILE 155 Ca 0.15 -0.51 0.00 0.00 1.00 0.00 0.00 64.86 65.51 1iku h ILE 155 Cb 0.26 1.48 0.00 0.00 -0.74 0.00 0.00 36.82 37.82 1iku h ILE 155 CO -0.34 0.13 0.00 1.87 0.00 0.00 0.00 178.15 179.82 1iku n TRP 156 N -4.97 0.50 0.08 1.37 -0.00 0.99 -1.25 117.44 114.16 1iku n TRP 156 Ca -0.07 0.20 -0.17 0.00 -0.00 0.00 0.00 57.50 57.46 1iku n TRP 156 Cb 0.13 -0.82 -0.14 0.00 -0.00 0.00 0.00 31.31 30.47 1iku n TRP 156 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 177.69 178.47 1iku h GLY 157 N 2.15 0.32 0.85 5.87 0.00 0.31 -3.35 103.07 109.21 1iku h GLY 157 Ca 0.00 -0.81 -0.32 0.00 0.00 0.00 0.00 47.33 46.20 1iku h GLY 157 CO 0.00 0.71 -1.82 0.74 0.00 0.00 0.00 176.54 176.17 1iku h PHE 158 N 0.08 0.25 0.00 5.60 0.04 -1.12 -3.39 116.94 118.39 1iku h PHE 158 Ca -0.22 -0.18 0.00 0.00 2.80 0.00 0.00 57.97 60.37 1iku h PHE 158 Cb 2.02 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 40.16 1iku h PHE 158 CO 0.07 1.37 0.00 1.19 -0.60 0.00 0.00 178.31 180.34 1iku n PHE 159 N -3.27 0.00 0.00 -0.55 3.72 -0.38 -4.78 117.46 112.20 1iku n PHE 159 Ca -0.23 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.17 1iku n PHE 159 Cb 1.05 -0.34 0.00 0.00 -0.94 0.00 0.00 39.48 39.25 1iku n PHE 159 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1iku n GLY 160 N -0.93 0.37 0.00 1.37 0.00 -1.26 -5.02 105.19 99.72 1iku n GLY 160 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1iku n GLY 160 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1iku n LYS 161 N 0.00 0.00 -0.11 1.61 5.02 -1.26 -4.98 118.16 118.44 1iku n LYS 161 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1iku n LYS 161 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1iku n LYS 161 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1iku n LYS 162 N 0.00 0.79 0.00 1.97 4.01 -1.26 -4.23 118.16 119.45 1iku n LYS 162 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1iku n LYS 162 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 1iku n LYS 162 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 1iku n ASP 163 N -1.55 1.44 -2.85 4.39 5.75 -1.26 -3.76 116.55 118.70 1iku n ASP 163 Ca 0.00 -1.27 -0.23 0.00 -0.01 0.00 0.00 54.79 53.28 1iku n ASP 163 Cb 0.00 -0.32 -0.02 0.00 -1.03 0.00 0.00 41.12 39.75 1iku n ASP 163 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 1iku n ASP 164 N 0.50 3.44 -3.46 -1.12 5.68 -1.26 -4.96 116.55 115.37 1iku n ASP 164 Ca 0.00 -3.44 0.01 0.00 -0.50 0.00 0.00 54.79 50.86 1iku n ASP 164 Cb 0.26 -0.55 -0.03 0.00 -1.14 0.00 0.00 41.12 39.66 1iku n ASP 164 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1iku s ASP 165 N -3.23 -0.95 0.21 -1.12 2.15 -1.25 -4.95 116.67 107.53 1iku s ASP 165 Ca 0.44 1.13 -0.15 0.00 0.43 0.00 0.00 52.55 54.40 1iku s ASP 165 Cb 0.34 2.01 -0.08 0.00 -0.30 0.00 0.00 42.92 44.90 1iku s ASP 165 CO -0.12 -0.18 0.63 -0.54 -0.17 0.00 0.00 175.17 174.79 1iku s LYS 166 N 2.75 4.03 -0.20 4.34 3.01 -1.26 -4.84 119.74 127.58 1iku s LYS 166 Ca -0.00 0.60 -0.11 0.00 -1.01 0.00 0.00 55.97 55.44 1iku s LYS 166 Cb -0.10 -2.79 -0.05 0.00 -1.01 0.00 0.00 37.83 33.87 1iku s LYS 166 CO -0.18 0.38 0.19 -0.51 0.51 0.00 0.00 175.35 175.73 1iku s LEU 167 N -2.25 4.19 0.58 3.17 1.43 -1.04 -4.90 118.68 119.86 1iku s LEU 167 Ca 0.43 0.28 0.00 0.00 -1.03 0.00 0.00 54.13 53.81 1iku s LEU 167 Cb -0.14 -2.18 0.04 0.00 0.03 0.00 0.00 46.19 43.95 1iku s LEU 167 CO 0.20 0.12 0.82 0.42 0.23 0.00 0.00 176.35 178.14 1iku s THR 168 N 0.59 2.57 0.27 5.49 -4.23 -1.26 -2.19 115.64 116.89 1iku s THR 168 Ca 0.10 -0.61 -0.01 0.00 -1.18 0.00 0.00 61.69 59.99 1iku s THR 168 Cb -0.12 -2.96 0.30 0.00 1.34 0.00 0.00 72.50 71.06 1iku s THR 168 CO 0.01 0.00 1.64 -0.08 -0.54 0.00 0.00 174.62 175.65 1iku h GLU 169 N -0.06 0.17 0.25 3.99 4.57 -1.99 0.41 114.58 121.91 1iku h GLU 169 Ca -0.42 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 57.74 1iku h GLU 169 Cb 1.30 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.85 1iku h GLU 169 CO 0.52 0.11 -0.12 0.87 -1.18 0.00 0.00 179.01 179.21 1iku h LYS 170 N 0.17 -0.32 -0.97 1.92 1.57 -1.95 -2.87 116.57 114.11 1iku h LYS 170 Ca 0.51 0.02 0.26 0.00 -1.87 0.00 0.00 60.65 59.57 1iku h LYS 170 Cb 0.99 0.07 -0.18 0.00 0.08 0.00 0.00 32.23 33.19 1iku h LYS 170 CO -0.66 -0.12 0.00 -1.91 -0.57 0.00 0.00 179.45 176.19 1iku n GLU 171 N -5.00 -0.08 0.48 3.15 4.07 -0.89 0.14 120.64 122.51 1iku n GLU 171 Ca -0.05 1.46 -0.19 0.00 -0.06 0.00 0.00 57.16 58.32 1iku n GLU 171 Cb 0.18 -2.32 -0.09 0.00 -0.06 0.00 0.00 31.44 29.15 1iku n GLU 171 CO 0.00 0.00 0.00 0.35 -0.06 0.00 0.00 177.13 177.42 1iku h PHE 172 N 0.00 -1.14 0.50 4.31 3.57 -1.01 1.14 116.94 124.32 1iku h PHE 172 Ca 0.58 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 62.03 1iku h PHE 172 Cb 1.18 0.38 0.00 0.00 2.79 0.00 0.00 35.95 40.31 1iku h PHE 172 CO -0.51 -0.71 -0.24 0.82 -2.23 0.00 0.00 178.31 175.44 1iku h ILE 173 N -1.31 0.00 -0.49 1.41 5.03 -0.57 -2.15 117.51 119.42 1iku h ILE 173 Ca -0.13 -0.03 0.14 0.00 -0.12 0.00 0.00 64.86 64.73 1iku h ILE 173 Cb 0.94 0.00 -0.02 0.00 -3.03 0.00 0.00 36.82 34.71 1iku h ILE 173 CO 0.21 0.00 0.49 -0.33 -0.68 0.00 0.00 178.15 177.83 1iku h GLU 174 N -0.70 0.00 -0.10 2.37 3.07 0.12 0.53 114.58 119.86 1iku h GLU 174 Ca -0.07 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.72 1iku h GLU 174 Cb 0.52 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.41 1iku h GLU 174 CO 0.11 0.00 -0.28 0.78 -1.40 0.00 0.00 179.01 178.22 1iku h GLY 175 N 0.00 0.19 0.13 -3.84 0.00 0.20 -1.13 103.07 98.62 1iku h GLY 175 Ca 0.23 -0.15 -0.27 0.00 0.00 0.00 0.00 47.33 47.14 1iku h GLY 175 CO -0.00 0.14 -1.49 -1.30 0.00 0.00 0.00 176.54 173.88 1iku n THR 176 N -4.15 1.59 0.07 4.70 -2.24 0.17 -3.38 114.28 111.03 1iku n THR 176 Ca -0.01 -0.18 0.06 0.00 -2.27 0.00 0.00 64.05 61.65 1iku n THR 176 Cb 0.37 -1.96 0.50 0.00 -2.10 0.00 0.00 70.33 67.13 1iku n THR 176 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1iku h LEU 177 N -0.77 0.32 0.26 3.22 6.46 -1.08 -3.16 115.31 120.57 1iku h LEU 177 Ca -0.39 -0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.35 1iku h LEU 177 Cb 1.48 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 41.34 1iku h LEU 177 CO -0.16 0.23 -0.13 0.00 -0.62 0.00 0.00 178.44 177.76 1iku h ALA 178 N 1.81 -0.36 -2.35 1.25 0.00 -1.37 -3.45 119.26 114.80 1iku h ALA 178 Ca 0.12 -0.08 -0.46 0.00 0.00 0.00 0.00 54.91 54.49 1iku h ALA 178 Cb 0.02 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1iku h ALA 178 CO -0.03 -0.33 0.35 -0.80 0.00 0.00 0.00 179.25 178.45 1iku s ASN 179 N -5.10 7.14 -0.08 0.00 -0.87 -1.19 -4.97 114.94 109.86 1iku s ASN 179 Ca -0.05 1.82 0.04 0.00 -1.57 0.00 0.00 52.86 53.10 1iku s ASN 179 Cb 0.01 -2.57 -0.24 0.00 -0.02 0.00 0.00 41.25 38.42 1iku s ASN 179 CO 0.15 -0.21 0.50 0.29 -2.57 0.00 0.00 177.10 175.26 1iku n LYS 180 N 0.13 0.69 0.37 -0.60 4.76 -1.26 -3.73 118.16 118.52 1iku n LYS 180 Ca 0.04 0.27 -0.15 0.00 -2.87 0.00 0.00 58.31 55.61 1iku n LYS 180 Cb 0.51 -1.75 -0.07 0.00 -1.84 0.00 0.00 35.03 31.89 1iku n LYS 180 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1iku h GLU 181 N 0.03 -0.91 -0.97 1.97 4.39 -1.93 -1.89 114.58 115.27 1iku h GLU 181 Ca -0.36 0.06 0.28 0.00 0.34 0.00 0.00 59.36 59.69 1iku h GLU 181 Cb 2.03 0.21 -0.14 0.00 -0.10 0.00 0.00 28.75 30.74 1iku h GLU 181 CO 0.08 -0.61 0.49 0.82 -1.16 0.00 0.00 179.01 178.63 1iku h ILE 182 N -1.04 0.36 -0.76 3.13 2.04 -1.90 0.98 117.51 120.32 1iku h ILE 182 Ca -0.10 -0.12 -0.01 0.00 1.00 0.00 0.00 64.86 65.64 1iku h ILE 182 Cb 0.73 -0.03 -0.04 0.00 -0.74 0.00 0.00 36.82 36.74 1iku h ILE 182 CO 0.16 0.06 0.45 0.25 0.00 0.00 0.00 178.15 179.07 1iku h LEU 183 N 0.35 0.92 -0.00 1.44 5.85 -1.59 0.62 115.31 122.90 1iku h LEU 183 Ca 0.67 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 59.33 1iku h LEU 183 Cb 1.43 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.23 1iku h LEU 183 CO -0.59 0.71 0.00 0.54 -0.34 0.00 0.00 178.44 178.76 1iku n ARG 184 N -4.38 0.00 -0.05 1.25 5.12 0.32 -1.78 116.66 117.15 1iku n ARG 184 Ca 0.08 0.01 0.02 0.00 -1.93 0.00 0.00 57.85 56.03 1iku n ARG 184 Cb 0.07 -1.50 -0.16 0.00 -1.16 0.00 0.00 32.46 29.71 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 -1.51 0.00 -0.09 0.55 4.77 0.07 -4.49 117.00 116.30 1iku n LEU 185 Ca 0.07 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.86 1iku n LEU 185 Cb 0.33 0.21 -0.12 0.00 -2.33 0.00 0.00 43.42 41.51 1iku n LEU 185 CO 0.26 0.21 -0.23 -0.29 -1.33 0.00 0.00 177.39 176.01 1iku h ILE 186 N 0.00 1.18 -1.71 -0.08 -0.00 0.19 -3.39 117.51 113.70 1iku h ILE 186 Ca -0.23 -2.22 -0.76 0.00 -0.00 0.00 0.00 64.86 61.65 1iku h ILE 186 Cb 1.49 2.56 -0.18 0.00 -0.00 0.00 0.00 36.82 40.70 1iku h ILE 186 CO 0.01 0.40 1.76 1.67 -0.00 0.00 0.00 178.15 181.99 1iku n GLN 187 N -4.49 3.74 -1.36 2.19 7.27 -0.73 -4.93 117.38 119.06 1iku n GLN 187 Ca -0.25 -3.73 -0.44 0.00 0.07 0.00 0.00 57.00 52.66 1iku n GLN 187 Cb 0.61 -2.86 -0.01 0.00 2.41 0.00 0.00 30.24 30.39 1iku n GLN 187 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1iku n PHE 188 N 3.58 -1.29 -1.77 3.69 7.35 -1.26 -4.84 117.46 122.93 1iku n PHE 188 Ca 0.37 0.74 0.00 0.00 -0.76 0.00 0.00 57.45 57.80 1iku n PHE 188 Cb 0.36 -1.88 0.00 0.00 0.35 0.00 0.00 39.48 38.32 1iku n PHE 188 CO 0.00 0.00 0.00 -1.91 -0.76 0.00 0.00 176.76 174.09