#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 -0.62 0.36 1.61 3.84 -1.26 -4.95 114.94 113.92 1iku s ASN 3 Ca 0.00 0.96 0.10 0.00 0.21 0.00 0.00 52.86 54.13 1iku s ASN 3 Cb 0.00 0.90 0.85 0.00 -0.55 0.00 0.00 41.25 42.45 1iku s ASN 3 CO 0.00 -0.37 1.85 0.28 -2.79 0.00 0.00 177.10 176.07 1iku h SER 4 N 3.85 0.63 -0.27 -4.21 0.02 -1.95 -2.04 113.55 109.58 1iku h SER 4 Ca -0.27 0.05 0.06 0.00 -0.84 0.00 0.00 61.79 60.79 1iku h SER 4 Cb 1.16 -0.07 -0.08 0.00 0.14 0.00 0.00 62.40 63.55 1iku h SER 4 CO 0.21 0.29 -0.41 0.50 -1.14 0.00 0.00 176.83 176.28 1iku h LYS 5 N 0.65 -0.38 -0.25 3.45 3.64 -1.95 0.68 116.57 122.41 1iku h LYS 5 Ca 0.48 0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.95 1iku h LYS 5 Cb 0.84 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.74 1iku h LYS 5 CO -0.23 -0.25 0.47 0.77 -2.27 0.00 0.00 179.45 177.94 1iku h SER 6 N -0.39 0.00 -0.05 4.20 0.02 -1.76 0.49 113.55 116.06 1iku h SER 6 Ca 0.11 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.89 1iku h SER 6 Cb 0.59 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.13 1iku h SER 6 CO -0.48 0.00 -0.56 1.23 -1.14 0.00 0.00 176.83 175.87 1iku h GLY 7 N 0.00 0.70 0.98 -3.77 0.00 0.37 -2.98 103.07 98.37 1iku h GLY 7 Ca 0.12 -0.83 -0.02 0.00 0.00 0.00 0.00 47.33 46.60 1iku h GLY 7 CO -0.00 0.74 -0.19 0.00 0.00 0.00 0.00 176.54 177.09 1iku h ALA 8 N 0.89 -0.54 -1.01 3.60 0.00 0.33 -0.59 119.26 121.94 1iku h ALA 8 Ca 0.01 -0.13 0.24 0.00 0.00 0.00 0.00 54.91 55.03 1iku h ALA 8 Cb 1.13 0.21 -0.10 0.00 0.00 0.00 0.00 17.79 19.03 1iku h ALA 8 CO 0.11 -0.79 0.64 -0.07 0.00 0.00 0.00 179.25 179.14 1iku h LEU 9 N -0.56 0.55 -0.72 0.00 3.38 -1.54 0.62 115.31 117.04 1iku h LEU 9 Ca -0.05 0.09 -0.14 0.00 0.09 0.00 0.00 57.88 57.87 1iku h LEU 9 Cb 0.43 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1iku h LEU 9 CO 0.09 0.13 -0.55 -1.28 0.09 0.00 0.00 178.44 176.92 1iku h SER 10 N 0.50 0.29 0.58 -0.43 0.87 -1.23 -2.67 113.55 111.45 1iku h SER 10 Ca 0.59 -0.15 -0.03 0.00 -1.23 0.00 0.00 61.79 60.97 1iku h SER 10 Cb 1.31 -0.08 0.01 0.00 -0.44 0.00 0.00 62.40 63.19 1iku h SER 10 CO -0.34 0.78 -0.28 0.50 -0.53 0.00 0.00 176.83 176.96 1iku h LYS 11 N 0.20 -0.75 -0.91 2.24 3.64 0.18 0.29 116.57 121.46 1iku h LYS 11 Ca 0.00 0.05 0.16 0.00 -1.27 0.00 0.00 60.65 59.59 1iku h LYS 11 Cb 1.03 0.17 -0.10 0.00 -0.41 0.00 0.00 32.23 32.92 1iku h LYS 11 CO 0.09 -0.50 0.50 0.93 -2.27 0.00 0.00 179.45 178.20 1iku h GLU 12 N -0.78 0.66 0.10 1.90 5.08 -1.52 0.41 114.58 120.42 1iku h GLU 12 Ca -0.08 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1iku h GLU 12 Cb 0.60 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1iku h GLU 12 CO 0.13 0.44 -0.05 0.82 -1.00 0.00 0.00 179.01 179.35 1iku h ILE 13 N 0.68 0.00 0.00 3.13 2.04 -1.31 -1.22 117.51 120.84 1iku h ILE 13 Ca 0.51 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 66.33 1iku h ILE 13 Cb 0.74 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.82 1iku h ILE 13 CO -0.37 0.00 0.01 0.18 0.00 0.00 0.00 178.15 177.97 1iku n LEU 14 N -2.44 0.00 -0.09 1.44 4.77 0.10 -1.91 117.00 118.88 1iku n LEU 14 Ca -0.02 0.26 -0.22 0.00 -0.03 0.00 0.00 56.01 56.00 1iku n LEU 14 Cb 0.05 -0.26 -0.12 0.00 -2.33 0.00 0.00 43.42 40.77 1iku n LEU 14 CO 0.04 -0.26 -0.55 -0.08 -1.33 0.00 0.00 177.39 175.21 1iku h GLU 15 N 0.00 0.05 0.00 3.23 4.81 0.10 -3.37 114.58 119.39 1iku h GLU 15 Ca 0.00 -0.08 -0.07 0.00 -0.13 0.00 0.00 59.36 59.08 1iku h GLU 15 Cb 0.02 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 1iku h GLU 15 CO 0.00 1.04 -0.35 1.05 -0.73 0.00 0.00 179.01 180.02 1iku h GLU 16 N -0.83 0.00 0.00 1.92 4.11 -0.52 -3.32 114.58 115.94 1iku h GLU 16 Ca -0.36 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.07 1iku h GLU 16 Cb 1.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.67 1iku h GLU 16 CO -0.16 0.35 0.00 -0.11 0.07 0.00 0.00 179.01 179.16 1iku n LEU 17 N -3.59 0.00 0.00 3.06 0.00 -0.86 -4.77 117.00 110.84 1iku n LEU 17 Ca -0.01 0.98 0.00 0.00 0.00 0.00 0.00 56.01 56.98 1iku n LEU 17 Cb 0.47 -0.48 0.00 0.00 0.00 0.00 0.00 43.42 43.41 1iku n LEU 17 CO 0.36 -0.48 0.00 1.67 0.00 0.00 0.00 177.39 178.94 1iku n GLN 18 N -2.87 0.00 0.00 1.96 7.27 -1.25 -5.14 117.38 117.35 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 -2.70 1.69 4.77 -1.26 -4.99 117.00 114.52 1iku n LEU 19 Ca 0.00 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.93 1iku n LEU 19 Cb 0.00 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.14 1iku n LEU 19 CO 0.00 0.00 0.43 -3.20 -1.33 0.00 0.00 177.39 173.29 1iku n ASN 20 N 0.00 -1.93 -4.72 -1.43 5.15 -1.26 -4.81 115.26 106.26 1iku n ASN 20 Ca 0.00 -2.01 -0.42 0.00 -0.60 0.00 0.00 54.58 51.55 1iku n ASN 20 Cb 0.00 1.08 -0.03 0.00 -0.53 0.00 0.00 39.78 40.29 1iku n ASN 20 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 1iku s THR 21 N 0.55 4.48 -0.12 -0.44 -1.32 -1.25 -4.78 115.64 112.75 1iku s THR 21 Ca 0.27 1.86 0.07 0.00 -1.21 0.00 0.00 61.69 62.68 1iku s THR 21 Cb 0.17 -4.19 -0.24 0.00 -1.51 0.00 0.00 72.50 66.73 1iku s THR 21 CO -0.12 0.19 0.36 1.17 -2.21 0.00 0.00 174.62 174.01 1iku n LYS 22 N 3.51 0.68 -1.43 7.08 0.00 -1.26 -4.89 118.16 121.85 1iku n LYS 22 Ca 0.06 0.21 -0.58 0.00 0.00 0.00 0.00 58.31 58.00 1iku n LYS 22 Cb 0.49 -1.69 -0.10 0.00 0.00 0.00 0.00 35.03 33.74 1iku n LYS 22 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 1iku n PHE 23 N -3.14 1.49 -0.74 5.64 3.01 -1.26 -4.85 117.46 117.61 1iku n PHE 23 Ca -0.28 0.63 -0.33 0.00 1.01 0.00 0.00 57.45 58.48 1iku n PHE 23 Cb 1.06 -2.38 0.14 0.00 -0.01 0.00 0.00 39.48 38.30 1iku n PHE 23 CO 0.00 0.00 0.00 -2.37 1.01 0.00 0.00 176.76 175.40 1iku n THR 24 N 6.17 0.00 0.31 4.37 5.66 -1.26 -4.71 114.28 124.82 1iku n THR 24 Ca 0.44 -0.25 0.20 0.00 -3.05 0.00 0.00 64.05 61.39 1iku n THR 24 Cb 0.06 -0.50 1.01 0.00 -1.55 0.00 0.00 70.33 69.35 1iku n THR 24 CO 0.00 0.00 0.00 1.05 -3.05 0.00 0.00 175.07 173.07 1iku h GLU 25 N -1.83 0.00 -0.44 1.09 9.09 -1.88 -2.25 114.58 118.36 1iku h GLU 25 Ca -0.50 0.00 -0.12 0.00 0.05 0.00 0.00 59.36 58.79 1iku h GLU 25 Cb 1.35 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.44 1iku h GLU 25 CO 0.35 0.01 -0.20 0.93 0.05 0.00 0.00 179.01 180.16 1iku h GLU 26 N 0.00 0.92 0.33 1.06 4.39 -1.86 -2.71 114.58 116.70 1iku h GLU 26 Ca -0.00 -0.39 -0.02 0.00 0.34 0.00 0.00 59.36 59.29 1iku h GLU 26 Cb 0.18 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 1iku h GLU 26 CO 0.00 1.05 -0.16 0.93 -1.16 0.00 0.00 179.01 179.67 1iku h GLU 27 N 0.75 -0.42 -0.61 2.33 4.39 -1.70 -1.74 114.58 117.58 1iku h GLU 27 Ca 0.10 0.03 0.18 0.00 0.34 0.00 0.00 59.36 60.01 1iku h GLU 27 Cb 0.77 0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.49 1iku h GLU 27 CO 0.06 -0.27 0.44 -0.07 -1.16 0.00 0.00 179.01 178.01 1iku h LEU 28 N -0.45 0.00 0.37 1.33 3.38 -1.55 0.23 115.31 118.62 1iku h LEU 28 Ca -0.04 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1iku h LEU 28 Cb 0.34 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1iku h LEU 28 CO 0.07 0.00 -0.18 -1.28 0.09 0.00 0.00 178.44 177.15 1iku h SER 29 N 0.00 -0.42 -0.41 -0.43 0.87 -0.99 0.27 113.55 112.45 1iku h SER 29 Ca 0.29 -0.09 -0.11 0.00 -1.23 0.00 0.00 61.79 60.65 1iku h SER 29 Cb 1.16 0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 63.21 1iku h SER 29 CO -0.00 -0.16 -0.15 0.28 -0.53 0.00 0.00 176.83 176.27 1iku h SER 30 N -0.68 0.89 0.04 6.23 0.02 -0.98 -2.83 113.55 116.24 1iku h SER 30 Ca -0.05 -0.30 -0.00 0.00 -0.84 0.00 0.00 61.79 60.60 1iku h SER 30 Cb 0.48 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.78 1iku h SER 30 CO 0.08 1.03 -0.02 -0.25 -1.14 0.00 0.00 176.83 176.54 1iku h TRP 31 N 0.78 -0.05 0.09 3.45 7.01 -0.95 -2.15 115.95 124.14 1iku h TRP 31 Ca 0.12 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.12 1iku h TRP 31 Cb 0.68 0.02 -0.02 0.00 -2.10 0.00 0.00 29.16 27.73 1iku h TRP 31 CO 0.04 0.36 -0.29 -0.92 -2.79 0.00 0.00 178.44 174.84 1iku h TYR 32 N -0.47 -0.83 0.20 2.65 3.20 -0.46 0.92 116.97 122.18 1iku h TYR 32 Ca -0.01 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.89 1iku h TYR 32 Cb 0.43 0.35 -0.04 0.00 1.54 0.00 0.00 36.73 39.01 1iku h TYR 32 CO 0.07 -0.33 -0.48 1.96 -1.64 0.00 0.00 178.16 177.74 1iku h GLN 33 N -0.43 -0.72 -0.76 1.82 4.20 -1.60 -0.05 115.11 117.57 1iku h GLN 33 Ca -0.01 0.05 0.22 0.00 0.06 0.00 0.00 58.65 58.97 1iku h GLN 33 Cb 0.42 0.16 -0.03 0.00 0.30 0.00 0.00 27.48 28.33 1iku h GLN 33 CO -0.14 -0.48 0.56 0.77 -0.67 0.00 0.00 178.83 178.87 1iku h SER 34 N -0.75 0.00 -0.09 1.46 0.02 -1.26 0.34 113.55 113.27 1iku h SER 34 Ca -0.02 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.86 1iku h SER 34 Cb 0.72 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.26 1iku h SER 34 CO -0.21 0.00 -0.23 0.15 -1.14 0.00 0.00 176.83 175.41 1iku h PHE 35 N 0.00 0.41 0.00 3.45 3.57 0.27 -2.70 116.94 121.94 1iku h PHE 35 Ca 0.36 -0.15 0.00 0.00 3.53 0.00 0.00 57.97 61.71 1iku h PHE 35 Cb 1.47 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 40.14 1iku h PHE 35 CO 0.00 0.84 0.00 -0.07 -2.23 0.00 0.00 178.31 176.85 1iku h LEU 36 N -0.14 0.00 -0.28 0.59 3.38 0.16 -2.83 115.31 116.19 1iku h LEU 36 Ca -0.00 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.77 1iku h LEU 36 Cb 0.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1iku h LEU 36 CO 0.05 0.00 -0.61 0.50 0.09 0.00 0.00 178.44 178.47 1iku h LYS 37 N 0.00 0.83 -0.09 1.13 3.64 -0.33 -3.25 116.57 118.49 1iku h LYS 37 Ca 0.00 -0.56 -0.15 0.00 -1.27 0.00 0.00 60.65 58.67 1iku h LYS 37 Cb 0.87 0.08 0.01 0.00 -0.41 0.00 0.00 32.23 32.78 1iku h LYS 37 CO 0.00 1.19 -0.51 0.93 -2.27 0.00 0.00 179.45 178.78 1iku h GLU 38 N 0.62 0.51 -7.30 1.90 5.08 -1.46 -3.45 114.58 110.47 1iku h GLU 38 Ca -0.00 -0.43 -0.49 0.00 -1.00 0.00 0.00 59.36 57.44 1iku h GLU 38 Cb 1.22 0.09 0.16 0.00 0.50 0.00 0.00 28.75 30.72 1iku h GLU 38 CO 0.13 1.06 0.23 0.00 -1.00 0.00 0.00 179.01 179.43 1iku h PRO 40 N -1.63 -0.11 0.00 0.00 0.10 -1.86 -3.43 132.00 125.08 1iku h PRO 40 Ca -0.49 0.01 0.00 0.00 0.10 0.00 0.00 66.00 65.62 1iku h PRO 40 Cb 1.28 0.02 0.00 0.00 0.10 0.00 0.00 31.00 32.40 1iku h PRO 40 CO 0.52 -0.07 -0.01 0.43 0.10 0.00 0.00 178.00 178.96 1iku n SER 41 N -2.39 0.07 0.00 -2.05 7.64 -1.26 -4.98 113.62 110.65 1iku n SER 41 Ca -0.01 -0.03 0.00 0.00 1.01 0.00 0.00 58.87 59.84 1iku n SER 41 Cb 0.05 0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.32 1iku n SER 41 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1iku n GLY 42 N 0.10 -0.32 3.67 0.23 0.00 -1.26 -4.88 105.19 102.73 1iku n GLY 42 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1iku n GLY 42 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1iku s ARG 43 N 0.00 4.24 0.25 1.61 3.00 -1.26 0.15 118.95 126.95 1iku s ARG 43 Ca 0.00 0.64 0.05 0.00 0.00 0.00 0.00 55.73 56.42 1iku s ARG 43 Cb 0.00 -3.56 -0.05 0.00 0.00 0.00 0.00 34.95 31.34 1iku s ARG 43 CO 0.00 -0.19 -0.03 0.96 0.00 0.00 0.00 175.30 176.05 1iku s ILE 44 N 1.72 1.30 0.43 1.52 -4.36 -0.44 -4.76 121.20 116.62 1iku s ILE 44 Ca 0.29 -2.07 0.07 0.00 -0.26 0.00 0.00 60.65 58.69 1iku s ILE 44 Cb -0.16 -2.40 -0.03 0.00 1.25 0.00 0.00 42.46 41.13 1iku s ILE 44 CO 0.11 -0.31 0.30 0.42 0.24 0.00 0.00 174.94 175.70 1iku s THR 45 N -3.24 2.43 0.07 8.37 -4.23 -1.26 -1.38 115.64 116.40 1iku s THR 45 Ca 0.29 -1.50 -0.26 0.00 -1.18 0.00 0.00 61.69 59.04 1iku s THR 45 Cb 0.05 -2.93 -0.16 0.00 1.34 0.00 0.00 72.50 70.80 1iku s THR 45 CO 0.10 0.00 1.66 0.08 -0.54 0.00 0.00 174.62 175.92 1iku h ARG 46 N 1.16 -0.28 -0.40 3.99 0.11 -1.99 0.44 114.38 117.41 1iku h ARG 46 Ca -0.42 0.02 0.12 0.00 0.10 0.00 0.00 59.98 59.80 1iku h ARG 46 Cb 1.26 0.06 -0.02 0.00 1.11 0.00 0.00 29.97 32.39 1iku h ARG 46 CO 0.62 -0.15 0.50 0.37 0.10 0.00 0.00 179.97 181.41 1iku h GLN 47 N -0.33 0.00 0.04 0.08 5.75 -1.96 -1.66 115.11 117.03 1iku h GLN 47 Ca -0.03 0.00 -0.28 0.00 -0.15 0.00 0.00 58.65 58.19 1iku h GLN 47 Cb 0.25 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.77 1iku h GLN 47 CO 0.05 0.00 -1.55 0.39 -2.65 0.00 0.00 178.83 175.07 1iku n GLU 48 N -3.56 0.63 -0.01 1.69 -0.58 -0.77 -3.98 120.64 114.05 1iku n GLU 48 Ca 0.07 0.46 -0.09 0.00 -0.42 0.00 0.00 57.16 57.19 1iku n GLU 48 Cb 0.66 -1.73 -0.03 0.00 -0.57 0.00 0.00 31.44 29.78 1iku n GLU 48 CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 1iku h PHE 49 N -0.63 -0.24 -0.79 -0.32 3.57 -0.10 -0.93 116.94 117.50 1iku h PHE 49 Ca -0.38 0.02 0.21 0.00 3.53 0.00 0.00 57.97 61.34 1iku h PHE 49 Cb 1.56 0.13 -0.04 0.00 2.79 0.00 0.00 35.95 40.39 1iku h PHE 49 CO 0.09 -0.15 0.55 -0.56 -2.23 0.00 0.00 178.31 176.00 1iku h GLN 50 N -0.10 0.15 -0.08 1.11 3.07 -1.54 0.19 115.11 117.92 1iku h GLN 50 Ca 0.09 -0.01 -0.17 0.00 0.09 0.00 0.00 58.65 58.65 1iku h GLN 50 Cb 0.23 -0.03 -0.01 0.00 0.08 0.00 0.00 27.48 27.75 1iku h GLN 50 CO -0.21 0.10 -0.68 1.15 0.09 0.00 0.00 178.83 179.27 1iku h THR 51 N 0.15 1.39 -0.07 1.86 2.02 -1.32 -2.01 112.91 114.93 1iku h THR 51 Ca 0.39 -2.10 -0.18 0.00 0.77 0.00 0.00 66.41 65.29 1iku h THR 51 Cb 1.29 2.08 0.01 0.00 -1.74 0.00 0.00 68.15 69.79 1iku h THR 51 CO -0.06 0.63 -0.65 0.40 0.37 0.00 0.00 175.52 176.21 1iku h ILE 52 N 0.24 1.36 0.00 3.11 2.04 -0.17 -2.64 117.51 121.44 1iku h ILE 52 Ca -0.02 -1.97 -0.06 0.00 1.00 0.00 0.00 64.86 63.81 1iku h ILE 52 Cb 1.24 2.29 -0.01 0.00 -0.74 0.00 0.00 36.82 39.60 1iku h ILE 52 CO 0.11 0.60 -0.26 0.22 0.00 0.00 0.00 178.15 178.81 1iku h TYR 53 N 0.16 0.00 -0.02 1.37 3.20 -1.15 -0.56 116.97 119.97 1iku h TYR 53 Ca -0.06 0.00 -0.21 0.00 3.14 0.00 0.00 58.73 61.60 1iku h TYR 53 Cb 1.31 0.00 0.02 0.00 1.54 0.00 0.00 36.73 39.59 1iku h TYR 53 CO 0.12 0.26 -0.82 0.77 -1.64 0.00 0.00 178.16 176.85 1iku h SER 54 N 0.00 0.76 0.45 -2.11 0.02 -1.33 -2.17 113.55 109.17 1iku h SER 54 Ca -0.00 -0.73 -0.23 0.00 -0.84 0.00 0.00 61.79 59.99 1iku h SER 54 Cb 0.64 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.95 1iku h SER 54 CO 0.03 1.39 -0.97 0.50 -1.14 0.00 0.00 176.83 176.64 1iku h LYS 55 N 0.21 0.33 0.00 3.45 3.64 -1.34 -3.01 116.57 119.84 1iku h LYS 55 Ca -0.10 -0.38 -0.09 0.00 -1.27 0.00 0.00 60.65 58.81 1iku h LYS 55 Cb 1.49 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 33.41 1iku h LYS 55 CO 0.16 1.08 -0.45 0.74 -2.27 0.00 0.00 179.45 178.71 1iku h PHE 56 N 0.17 0.00 -2.40 1.91 -1.00 -1.17 -3.38 116.94 111.06 1iku h PHE 56 Ca -0.08 0.00 -0.54 0.00 2.81 0.00 0.00 57.97 60.16 1iku h PHE 56 Cb 1.62 0.00 -0.37 0.00 3.61 0.00 0.00 35.95 40.81 1iku h PHE 56 CO 0.05 0.45 -0.85 -0.06 -1.61 0.00 0.00 178.31 176.29 1iku s PHE 57 N -3.75 0.61 0.00 -0.55 0.08 -0.82 -3.94 117.98 109.60 1iku s PHE 57 Ca -0.01 -1.66 0.00 0.00 0.12 0.00 0.00 56.93 55.38 1iku s PHE 57 Cb 0.12 -0.81 0.00 0.00 -0.57 0.00 0.00 43.02 41.77 1iku s PHE 57 CO 0.72 -0.86 0.49 -2.30 -0.10 0.00 0.00 175.22 173.16 1iku n PRO 58 N 3.75 0.00 -1.88 0.24 -0.02 -1.14 -4.03 135.00 131.92 1iku n PRO 58 Ca 0.16 0.11 -0.27 0.00 -2.02 0.00 0.00 63.50 61.48 1iku n PRO 58 Cb 0.41 -1.01 -0.07 0.00 -0.02 0.00 0.00 33.50 32.81 1iku n PRO 58 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1iku n GLU 59 N -0.82 1.25 0.00 -0.52 0.00 -1.26 -3.30 120.64 116.00 1iku n GLU 59 Ca 0.00 -2.25 0.00 0.00 0.00 0.00 0.00 57.16 54.91 1iku n GLU 59 Cb 0.00 -3.71 0.00 0.00 0.00 0.00 0.00 31.44 27.73 1iku n GLU 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1iku n ALA 60 N 15.06 0.00 -1.13 4.31 0.00 -1.26 -4.76 120.51 132.74 1iku n ALA 60 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.88 1iku n ALA 60 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.91 1iku n ALA 60 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1iku n ASP 61 N 0.00 -6.52 -0.42 0.00 8.00 -1.21 -3.78 116.55 112.63 1iku n ASP 61 Ca 0.00 0.82 0.00 0.00 0.71 0.00 0.00 54.79 56.32 1iku n ASP 61 Cb 0.10 -2.71 0.00 0.00 -0.02 0.00 0.00 41.12 38.48 1iku n ASP 61 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1iku n PRO 62 N 0.02 0.17 -2.71 -0.24 -0.04 -1.26 -2.75 135.00 128.19 1iku n PRO 62 Ca 0.00 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.39 1iku n PRO 62 Cb 0.00 -1.07 0.11 0.00 -0.04 0.00 0.00 33.50 32.50 1iku n PRO 62 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1iku n LYS 63 N 0.27 1.17 0.00 0.54 2.85 -1.26 -4.89 118.16 116.84 1iku n LYS 63 Ca 0.00 -1.89 0.00 0.00 -1.05 0.00 0.00 58.31 55.37 1iku n LYS 63 Cb 0.04 -0.23 0.00 0.00 -0.65 0.00 0.00 35.03 34.19 1iku n LYS 63 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1iku n ALA 64 N -0.44 0.00 -0.00 0.58 0.00 -1.11 -4.77 120.51 114.76 1iku n ALA 64 Ca -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.42 1iku n ALA 64 Cb 0.83 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.28 1iku n ALA 64 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1iku n TYR 65 N 0.00 0.05 0.21 0.00 9.36 -1.26 -4.25 117.16 121.26 1iku n TYR 65 Ca 0.00 0.02 0.07 0.00 3.32 0.00 0.00 57.90 61.31 1iku n TYR 65 Cb 0.00 -0.24 0.12 0.00 -0.63 0.00 0.00 39.34 38.59 1iku n TYR 65 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1iku h ALA 66 N -1.94 2.20 -1.16 2.98 0.00 -1.97 0.19 119.26 119.57 1iku h ALA 66 Ca 0.00 -0.01 0.34 0.00 0.00 0.00 0.00 54.91 55.24 1iku h ALA 66 Cb 0.04 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 17.74 1iku h ALA 66 CO 0.00 -1.15 0.75 0.37 0.00 0.00 0.00 179.25 179.22 1iku h GLN 67 N 0.00 0.24 -0.03 0.00 5.75 -1.86 0.13 115.11 119.34 1iku h GLN 67 Ca 0.11 -0.01 -0.10 0.00 -0.15 0.00 0.00 58.65 58.49 1iku h GLN 67 Cb 2.17 -0.06 0.01 0.00 1.07 0.00 0.00 27.48 30.67 1iku h GLN 67 CO -0.00 0.16 -0.37 1.25 -2.65 0.00 0.00 178.83 177.22 1iku h HIS 68 N 0.25 0.44 -0.36 3.99 2.76 -1.24 -3.29 115.15 117.70 1iku h HIS 68 Ca 0.68 -0.21 0.04 0.00 -2.20 0.00 0.00 60.37 58.68 1iku h HIS 68 Cb 1.96 -0.06 -0.07 0.00 1.55 0.00 0.00 27.41 30.79 1iku h HIS 68 CO -0.00 0.99 -0.49 0.28 -1.30 0.00 0.00 177.93 177.40 1iku h VAL 69 N -0.24 0.00 -1.36 5.26 2.07 -0.92 0.47 116.25 121.52 1iku h VAL 69 Ca -0.04 0.00 0.41 0.00 0.82 0.00 0.00 66.70 67.89 1iku h VAL 69 Cb 1.07 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.75 1iku h VAL 69 CO 0.08 0.00 0.93 0.15 0.02 0.00 0.00 177.57 178.74 1iku h PHE 70 N -0.35 0.32 -0.05 1.57 3.04 -1.59 0.34 116.94 120.22 1iku h PHE 70 Ca 0.06 0.01 -0.03 0.00 3.98 0.00 0.00 57.97 62.00 1iku h PHE 70 Cb 0.52 -0.08 -0.00 0.00 2.56 0.00 0.00 35.95 38.95 1iku h PHE 70 CO -0.71 -0.07 -0.08 -0.09 -2.02 0.00 0.00 178.31 175.34 1iku h ARG 71 N 0.11 0.14 -0.52 1.11 2.43 -0.19 -2.84 114.38 114.62 1iku h ARG 71 Ca 0.74 -0.08 0.10 0.00 -0.81 0.00 0.00 59.98 59.93 1iku h ARG 71 Cb 2.52 0.01 -0.10 0.00 -0.42 0.00 0.00 29.97 31.98 1iku h ARG 71 CO -0.22 0.64 -0.22 1.03 -1.51 0.00 0.00 179.97 179.69 1iku h SER 72 N -0.35 -0.77 0.50 -3.80 0.87 0.85 -2.00 113.55 108.84 1iku h SER 72 Ca 0.00 0.18 -0.01 0.00 -1.23 0.00 0.00 61.79 60.74 1iku h SER 72 Cb 0.63 0.43 -0.02 0.00 -0.44 0.00 0.00 62.40 63.00 1iku h SER 72 CO 0.02 -0.25 -0.42 -0.26 -0.53 0.00 0.00 176.83 175.39 1iku h PHE 73 N -0.10 -1.14 -4.99 2.24 -1.00 -1.51 -3.47 116.94 106.97 1iku h PHE 73 Ca 0.24 0.00 0.01 0.00 2.81 0.00 0.00 57.97 61.03 1iku h PHE 73 Cb 0.48 0.43 -0.12 0.00 3.61 0.00 0.00 35.95 40.35 1iku h PHE 73 CO -0.51 -0.59 -1.55 -3.47 -1.61 0.00 0.00 178.31 170.57 1iku n ASP 74 N -5.52 -1.23 -4.26 2.17 -0.08 -0.76 -4.91 116.55 101.96 1iku n ASP 74 Ca -0.12 1.41 -0.33 0.00 -1.51 0.00 0.00 54.79 54.24 1iku n ASP 74 Cb 0.42 -5.26 0.16 0.00 2.34 0.00 0.00 41.12 38.78 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 1.75 -4.23 -1.75 -1.67 0.00 -1.26 -4.95 120.51 108.41 1iku n ALA 75 Ca -0.39 -1.26 -0.01 0.00 0.00 0.00 0.00 53.44 51.78 1iku n ALA 75 Cb 0.60 -1.47 -0.01 0.00 0.00 0.00 0.00 19.45 18.57 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 -1.23 -0.11 -3.51 0.00 6.94 -1.26 -5.02 115.26 111.06 1iku n ASN 76 Ca 0.01 -0.84 0.01 0.00 -0.02 0.00 0.00 54.58 53.74 1iku n ASN 76 Cb 0.63 0.03 -0.05 0.00 -2.36 0.00 0.00 39.78 38.03 1iku n ASN 76 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 1iku s SER 77 N -0.11 -0.24 0.00 0.53 0.15 -1.26 -4.91 113.70 107.86 1iku s SER 77 Ca 0.00 0.36 0.00 0.00 0.70 0.00 0.00 55.95 57.01 1iku s SER 77 Cb 0.00 1.17 0.00 0.00 -1.71 0.00 0.00 66.02 65.48 1iku s SER 77 CO 0.00 -0.05 0.00 -0.67 1.20 0.00 0.00 173.24 173.72 1iku n ASP 78 N 3.82 -0.26 -2.34 5.45 2.03 -1.26 -1.85 116.55 122.15 1iku n ASP 78 Ca -0.14 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.06 1iku n ASP 78 Cb 0.56 -1.91 0.05 0.00 -0.72 0.00 0.00 41.12 39.10 1iku n ASP 78 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1iku n GLY 79 N -1.12 0.03 3.30 0.27 0.00 -1.26 -5.04 105.19 101.37 1iku n GLY 79 Ca 0.00 -0.15 -0.16 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.20 0.42 -0.03 2.61 -4.23 -0.77 -4.43 115.64 106.01 1iku s THR 80 Ca 0.11 -2.00 -0.24 0.00 -1.18 0.00 0.00 61.69 58.38 1iku s THR 80 Cb -0.05 -2.60 0.05 0.00 1.34 0.00 0.00 72.50 71.25 1iku s THR 80 CO 0.41 0.00 0.53 -1.48 -0.54 0.00 0.00 174.62 173.54 1iku s LEU 81 N -3.29 -0.04 0.33 4.79 2.34 -0.48 -4.39 118.68 117.93 1iku s LEU 81 Ca 0.38 0.45 -0.29 0.00 0.06 0.00 0.00 54.13 54.73 1iku s LEU 81 Cb 0.07 2.02 -0.10 0.00 -0.56 0.00 0.00 46.19 47.62 1iku s LEU 81 CO 0.14 -0.55 1.37 -0.62 -1.06 0.00 0.00 176.35 175.63 1iku s ASP 82 N -1.27 6.64 -0.22 1.48 -1.08 -1.26 -1.32 116.67 119.65 1iku s ASP 82 Ca -0.12 2.78 -0.20 0.00 -0.52 0.00 0.00 52.55 54.49 1iku s ASP 82 Cb -0.02 -2.65 -0.18 0.00 -1.46 0.00 0.00 42.92 38.61 1iku s ASP 82 CO 0.07 -0.65 0.12 0.33 0.52 0.00 0.00 175.17 175.56 1iku n PHE 83 N 0.95 0.86 -0.19 -5.34 7.35 0.40 -3.56 117.46 117.92 1iku n PHE 83 Ca 0.01 0.37 -0.02 0.00 -0.76 0.00 0.00 57.45 57.05 1iku n PHE 83 Cb 0.41 -1.08 0.05 0.00 0.35 0.00 0.00 39.48 39.20 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 -0.04 -0.55 -4.13 1.57 -1.90 0.12 116.57 110.64 1iku h LYS 84 Ca -0.40 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.38 1iku h LYS 84 Cb 1.34 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.64 1iku h LYS 84 CO -0.24 -0.03 0.33 0.93 -0.57 0.00 0.00 179.45 179.87 1iku h GLU 85 N -0.04 0.75 -1.00 3.15 5.08 -1.95 -1.14 114.58 119.43 1iku h GLU 85 Ca 0.27 -0.07 0.09 0.00 -1.00 0.00 0.00 59.36 58.65 1iku h GLU 85 Cb 0.46 -0.16 -0.07 0.00 0.50 0.00 0.00 28.75 29.48 1iku h GLU 85 CO -0.62 0.54 0.64 -0.92 -1.00 0.00 0.00 179.01 177.65 1iku h TYR 86 N 0.74 1.17 0.64 4.33 5.03 -0.95 0.14 116.97 128.08 1iku h TYR 86 Ca 0.20 0.03 -0.03 0.00 2.58 0.00 0.00 58.73 61.51 1iku h TYR 86 Cb -0.01 -0.38 0.01 0.00 1.55 0.00 0.00 36.73 37.89 1iku h TYR 86 CO -0.02 0.56 -0.31 0.28 -1.32 0.00 0.00 178.16 177.35 1iku h VAL 87 N 1.10 0.00 -0.67 1.81 2.07 -0.11 -0.55 116.25 119.91 1iku h VAL 87 Ca 0.45 -0.22 0.13 0.00 0.82 0.00 0.00 66.70 67.88 1iku h VAL 87 Cb 0.29 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 29.93 1iku h VAL 87 CO -0.20 0.00 -0.20 0.40 0.02 0.00 0.00 177.57 177.58 1iku h ILE 88 N -1.09 0.28 -0.28 4.57 2.04 -1.00 0.40 117.51 122.45 1iku h ILE 88 Ca -0.09 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.83 1iku h ILE 88 Cb 0.66 0.28 -0.06 0.00 -0.74 0.00 0.00 36.82 36.97 1iku h ILE 88 CO 0.14 0.00 -0.09 0.00 0.00 0.00 0.00 178.15 178.20 1iku h ALA 89 N 1.56 0.15 -0.12 1.87 0.00 -0.94 0.40 119.26 122.17 1iku h ALA 89 Ca 0.31 0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.36 1iku h ALA 89 Cb 0.51 0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.49 1iku h ALA 89 CO -0.71 -0.49 -0.54 1.25 0.00 0.00 0.00 179.25 178.76 1iku h LEU 90 N -0.04 -1.72 0.31 0.00 7.12 0.14 -3.03 115.31 118.09 1iku h LEU 90 Ca 0.14 0.20 -0.01 0.00 0.13 0.00 0.00 57.88 58.34 1iku h LEU 90 Cb 0.25 0.67 -0.00 0.00 -0.53 0.00 0.00 40.66 41.05 1iku h LEU 90 CO -0.31 -0.49 -0.19 0.45 -0.13 0.00 0.00 178.44 177.77 1iku h HIS 91 N -0.59 -0.51 -2.22 1.25 3.86 -0.51 -3.31 115.15 113.12 1iku h HIS 91 Ca 0.03 -0.01 -0.53 0.00 -1.16 0.00 0.00 60.37 58.70 1iku h HIS 91 Cb 0.69 0.18 -0.02 0.00 1.06 0.00 0.00 27.41 29.31 1iku h HIS 91 CO -0.58 -0.28 1.37 1.41 0.86 0.00 0.00 177.93 180.70 1iku s MET 92 N -4.12 2.88 0.00 2.45 1.75 0.13 -1.99 119.30 120.40 1iku s MET 92 Ca -0.07 1.14 0.00 0.00 -1.25 0.00 0.00 55.69 55.51 1iku s MET 92 Cb 0.01 -4.33 0.00 0.00 2.84 0.00 0.00 34.83 33.35 1iku s MET 92 CO 0.23 -2.40 0.00 -2.37 -0.65 0.00 0.00 175.02 169.83 1iku n THR 93 N 7.44 0.00 0.00 10.11 5.66 -1.26 -4.61 114.28 131.61 1iku n THR 93 Ca 0.24 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.24 1iku n THR 93 Cb 0.50 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.28 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 0.00 0.00 -1.99 1.09 2.88 -0.84 -4.87 113.62 109.89 1iku n SER 94 Ca 0.00 0.37 -0.02 0.00 -1.33 0.00 0.00 58.87 57.89 1iku n SER 94 Cb 0.00 -0.37 -0.02 0.00 -0.75 0.00 0.00 64.21 63.07 1iku n SER 94 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1iku n ALA 95 N -1.36 -2.96 -3.00 -1.46 0.00 -1.26 -5.00 120.51 105.46 1iku n ALA 95 Ca 0.00 0.93 0.00 0.00 0.00 0.00 0.00 53.44 54.37 1iku n ALA 95 Cb 0.06 -1.96 0.00 0.00 0.00 0.00 0.00 19.45 17.55 1iku n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iku n GLY 96 N 1.05 1.79 1.21 0.00 0.00 -1.26 -5.06 105.19 102.92 1iku n GLY 96 Ca -0.14 -0.66 -0.11 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.79 0.00 1.61 4.76 -1.26 -5.03 118.16 115.45 1iku n LYS 97 Ca 0.00 -0.52 0.00 0.00 -2.87 0.00 0.00 58.31 54.92 1iku n LYS 97 Cb 0.00 -0.71 0.00 0.00 -1.84 0.00 0.00 35.03 32.48 1iku n LYS 97 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 1iku n THR 98 N -3.99 0.00 -0.38 -0.18 -1.04 -1.26 -4.47 114.28 102.97 1iku n THR 98 Ca 0.05 0.00 0.34 0.00 -2.04 0.00 0.00 64.05 62.40 1iku n THR 98 Cb 0.22 -0.88 0.52 0.00 -1.82 0.00 0.00 70.33 68.37 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 -1.21 0.00 0.05 8.00 0.23 -1.26 0.47 115.26 121.54 1iku n ASN 99 Ca 0.00 0.73 -0.12 0.00 -0.53 0.00 0.00 54.58 54.66 1iku n ASN 99 Cb 0.00 -0.31 -0.07 0.00 -2.08 0.00 0.00 39.78 37.32 1iku n ASN 99 CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 1iku h GLN 100 N 0.00 -0.05 0.00 -3.83 4.20 -1.97 -1.36 115.11 112.09 1iku h GLN 100 Ca 0.59 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 59.15 1iku h GLN 100 Cb 2.82 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 30.59 1iku h GLN 100 CO -0.01 -0.03 -0.73 0.87 -0.67 0.00 0.00 178.83 178.27 1iku h LYS 101 N -0.05 0.00 0.00 1.46 1.79 -0.21 -3.26 116.57 116.31 1iku h LYS 101 Ca 0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 1iku h LYS 101 Cb 0.05 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.70 1iku h LYS 101 CO -0.01 0.73 0.00 1.28 -1.08 0.00 0.00 179.45 180.36 1iku n LEU 102 N -3.36 0.26 -0.34 2.94 4.77 -1.01 -0.88 117.00 119.38 1iku n LEU 102 Ca 0.01 0.69 0.35 0.00 -0.03 0.00 0.00 56.01 57.03 1iku n LEU 102 Cb 0.80 -0.38 0.61 0.00 -2.33 0.00 0.00 43.42 42.11 1iku n LEU 102 CO 0.43 -0.38 1.33 -0.08 -1.33 0.00 0.00 177.39 177.35 1iku h GLU 103 N 0.00 0.00 0.23 3.23 4.81 -1.43 1.91 114.58 123.34 1iku h GLU 103 Ca 0.00 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 58.90 1iku h GLU 103 Cb 0.00 0.00 0.04 0.00 0.63 0.00 0.00 28.75 29.42 1iku h GLU 103 CO 0.00 0.00 -1.44 2.35 -0.73 0.00 0.00 179.01 179.19 1iku h TRP 104 N 0.00 0.96 -0.15 0.92 7.01 -1.57 -2.45 115.95 120.66 1iku h TRP 104 Ca 0.60 -0.69 -0.04 0.00 2.11 0.00 0.00 58.89 60.87 1iku h TRP 104 Cb 2.95 -0.04 -0.00 0.00 -2.10 0.00 0.00 29.16 29.96 1iku h TRP 104 CO 0.00 1.53 -0.06 0.00 -2.79 0.00 0.00 178.44 177.13 1iku h ALA 105 N 0.21 0.21 -0.77 2.65 0.00 0.49 0.46 119.26 122.51 1iku h ALA 105 Ca -0.24 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.38 1iku h ALA 105 Cb 2.13 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.83 1iku h ALA 105 CO 0.27 -0.01 0.33 0.35 0.00 0.00 0.00 179.25 180.19 1iku h PHE 106 N -0.01 1.14 -0.05 0.00 3.04 -1.08 -2.04 116.94 117.94 1iku h PHE 106 Ca 0.04 -0.07 -0.12 0.00 3.98 0.00 0.00 57.97 61.80 1iku h PHE 106 Cb 0.51 -0.35 -0.01 0.00 2.56 0.00 0.00 35.95 38.66 1iku h PHE 106 CO 0.06 0.85 -0.50 1.03 -2.02 0.00 0.00 178.31 177.73 1iku h SER 107 N 1.11 0.14 -0.37 0.41 0.87 -1.33 -1.90 113.55 112.48 1iku h SER 107 Ca 0.26 -0.07 -0.06 0.00 -1.23 0.00 0.00 61.79 60.69 1iku h SER 107 Cb 0.17 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.07 1iku h SER 107 CO -0.03 0.62 0.03 0.25 -0.53 0.00 0.00 176.83 177.18 1iku h LEU 108 N 0.11 0.69 0.00 2.23 5.85 -0.21 -2.40 115.31 121.58 1iku h LEU 108 Ca 0.00 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.58 1iku h LEU 108 Cb 0.93 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.78 1iku h LEU 108 CO 0.07 0.74 -0.39 1.88 -0.34 0.00 0.00 178.44 180.40 1iku h TYR 109 N 0.69 0.00 0.00 1.25 0.05 -1.23 -3.36 116.97 114.37 1iku h TYR 109 Ca 0.14 0.00 -0.44 0.00 0.05 0.00 0.00 58.73 58.48 1iku h TYR 109 Cb 0.38 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.10 1iku h TYR 109 CO 0.02 0.00 1.94 -3.47 -1.05 0.00 0.00 178.16 175.60 1iku n ASP 110 N -2.85 6.98 0.00 3.88 2.03 -0.73 -4.78 116.55 121.08 1iku n ASP 110 Ca 0.03 -2.51 0.00 0.00 0.52 0.00 0.00 54.79 52.83 1iku n ASP 110 Cb 0.53 -1.46 0.00 0.00 -0.72 0.00 0.00 41.12 39.47 1iku n ASP 110 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1iku n VAL 111 N 3.13 0.00 -3.20 5.18 0.24 -1.26 -4.72 118.33 117.71 1iku n VAL 111 Ca 0.61 0.44 0.01 0.00 -2.04 0.00 0.00 64.34 63.36 1iku n VAL 111 Cb 0.52 -1.06 -0.01 0.00 -1.47 0.00 0.00 33.84 31.82 1iku n VAL 111 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1iku s ASP 112 N -2.75 -1.48 0.00 -1.34 1.01 -1.26 -4.64 116.67 106.20 1iku s ASP 112 Ca 0.00 -0.50 0.00 0.00 0.71 0.00 0.00 52.55 52.76 1iku s ASP 112 Cb 0.00 1.95 0.00 0.00 1.01 0.00 0.00 42.92 45.88 1iku s ASP 112 CO 0.00 -0.21 0.00 0.61 0.21 0.00 0.00 175.17 175.78 1iku n GLY 113 N 4.73 -1.64 0.00 0.21 0.00 -1.26 -5.10 105.19 102.14 1iku n GLY 113 Ca 0.09 0.59 0.00 0.00 0.00 0.00 0.00 46.02 46.70 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 -0.45 0.00 0.00 1.61 4.13 -1.26 -5.08 115.26 114.21 1iku n ASN 114 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1iku n ASN 114 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 1iku n ASN 114 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1iku n GLY 115 N 3.39 0.00 3.41 7.41 0.00 -1.26 -5.14 105.19 113.00 1iku n GLY 115 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1iku n GLY 115 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1iku s THR 116 N 0.00 0.00 0.00 2.61 -4.23 -1.26 -4.16 115.64 108.60 1iku s THR 116 Ca 0.00 -1.69 0.03 0.00 -1.18 0.00 0.00 61.69 58.85 1iku s THR 116 Cb 0.00 -2.35 -0.01 0.00 1.34 0.00 0.00 72.50 71.48 1iku s THR 116 CO 0.00 0.00 -0.09 -0.51 -0.54 0.00 0.00 174.62 173.48 1iku s ILE 117 N -4.07 0.73 0.46 2.99 2.07 -0.82 -4.82 121.20 117.74 1iku s ILE 117 Ca 0.30 -0.51 0.07 0.00 -1.41 0.00 0.00 60.65 59.10 1iku s ILE 117 Cb 0.03 -0.63 0.02 0.00 0.13 0.00 0.00 42.46 42.01 1iku s ILE 117 CO 0.11 0.12 0.63 -0.44 -1.91 0.00 0.00 174.94 173.45 1iku s SER 118 N -0.43 5.52 0.10 4.50 0.01 -1.26 -2.14 113.70 119.99 1iku s SER 118 Ca 0.02 -0.38 -0.31 0.00 1.31 0.00 0.00 55.95 56.59 1iku s SER 118 Cb -0.04 -0.60 -0.12 0.00 0.21 0.00 0.00 66.02 65.46 1iku s SER 118 CO -0.00 -0.90 1.61 0.50 0.41 0.00 0.00 173.24 174.86 1iku h LYS 119 N 0.48 -0.67 -1.37 12.44 3.64 -1.97 -1.27 116.57 127.85 1iku h LYS 119 Ca -0.39 0.05 0.43 0.00 -1.27 0.00 0.00 60.65 59.46 1iku h LYS 119 Cb 1.28 0.15 -0.11 0.00 -0.41 0.00 0.00 32.23 33.14 1iku h LYS 119 CO 0.46 -0.45 0.91 -0.91 -2.27 0.00 0.00 179.45 177.19 1iku h ASN 120 N -0.69 0.21 -0.31 4.20 2.35 -1.97 1.21 115.58 120.58 1iku h ASN 120 Ca -0.01 0.10 -0.06 0.00 -0.55 0.00 0.00 56.30 55.78 1iku h ASN 120 Cb 0.65 0.09 -0.01 0.00 0.05 0.00 0.00 38.32 39.10 1iku h ASN 120 CO -0.11 -0.12 -0.05 -0.33 -1.65 0.00 0.00 177.43 175.17 1iku h GLU 121 N 0.10 0.58 -0.32 0.81 5.08 -1.63 -1.96 114.58 117.25 1iku h GLU 121 Ca 0.79 -0.21 0.04 0.00 -1.00 0.00 0.00 59.36 58.98 1iku h GLU 121 Cb 2.60 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 31.77 1iku h GLU 121 CO -0.32 0.75 0.08 0.28 -1.00 0.00 0.00 179.01 178.80 1iku h VAL 122 N 0.36 0.87 -0.44 3.13 2.07 0.18 -1.82 116.25 120.59 1iku h VAL 122 Ca 0.08 -0.07 0.07 0.00 0.82 0.00 0.00 66.70 67.61 1iku h VAL 122 Cb 0.52 0.65 -0.06 0.00 -1.52 0.00 0.00 31.29 30.89 1iku h VAL 122 CO 0.03 0.04 0.08 0.25 0.02 0.00 0.00 177.57 177.99 1iku h LEU 123 N 0.20 -0.00 -0.76 2.57 5.85 -1.17 -0.81 115.31 121.18 1iku h LEU 123 Ca 0.15 0.08 0.16 0.00 0.84 0.00 0.00 57.88 59.10 1iku h LEU 123 Cb 0.15 0.11 -0.11 0.00 0.37 0.00 0.00 40.66 41.18 1iku h LEU 123 CO -0.18 0.03 0.25 -0.08 -0.34 0.00 0.00 178.44 178.12 1iku h GLU 124 N 0.22 0.34 0.80 1.25 4.81 -0.54 0.28 114.58 121.73 1iku h GLU 124 Ca 0.22 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.39 1iku h GLU 124 Cb 0.27 -0.08 0.01 0.00 0.63 0.00 0.00 28.75 29.59 1iku h GLU 124 CO -0.29 0.23 -0.39 0.82 -0.73 0.00 0.00 179.01 178.65 1iku h ILE 125 N 0.35 0.07 -0.84 2.32 2.04 -0.75 -1.86 117.51 118.84 1iku h ILE 125 Ca 0.43 -0.18 0.24 0.00 1.00 0.00 0.00 64.86 66.36 1iku h ILE 125 Cb 0.72 0.09 -0.03 0.00 -0.74 0.00 0.00 36.82 36.85 1iku h ILE 125 CO -0.47 0.01 0.69 0.58 0.00 0.00 0.00 178.15 178.95 1iku h VAL 126 N -1.24 0.41 -0.00 1.67 2.07 -0.45 1.16 116.25 119.87 1iku h VAL 126 Ca -0.11 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 67.25 1iku h VAL 126 Cb 0.84 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 1iku h VAL 126 CO 0.18 0.00 -0.76 0.74 0.02 0.00 0.00 177.57 177.75 1iku h THR 127 N 0.00 1.54 -0.41 2.57 2.02 -0.02 -1.75 112.91 116.86 1iku h THR 127 Ca 0.40 -2.60 -0.12 0.00 0.77 0.00 0.00 66.41 64.86 1iku h THR 127 Cb 1.77 2.40 -0.01 0.00 -1.74 0.00 0.00 68.15 70.57 1iku h THR 127 CO -0.00 0.74 -0.24 0.00 0.37 0.00 0.00 175.52 176.39 1iku h ALA 128 N 1.24 0.80 0.03 6.16 0.00 0.22 -2.06 119.26 125.65 1iku h ALA 128 Ca -0.01 -0.39 -0.07 0.00 0.00 0.00 0.00 54.91 54.45 1iku h ALA 128 Cb 1.34 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.99 1iku h ALA 128 CO 0.10 0.65 -0.29 -0.84 0.00 0.00 0.00 179.25 178.87 1iku h ILE 129 N 0.73 1.63 -0.87 0.00 -2.65 -1.40 -2.06 117.51 112.88 1iku h ILE 129 Ca 0.09 -2.22 0.13 0.00 1.03 0.00 0.00 64.86 63.89 1iku h ILE 129 Cb 0.78 3.09 -0.07 0.00 -2.05 0.00 0.00 36.82 38.57 1iku h ILE 129 CO 0.06 0.60 0.56 0.15 0.03 0.00 0.00 178.15 179.56 1iku h PHE 130 N -0.65 0.81 -0.06 0.16 3.57 -1.35 0.21 116.94 119.63 1iku h PHE 130 Ca -0.05 0.02 -0.18 0.00 3.53 0.00 0.00 57.97 61.30 1iku h PHE 130 Cb 1.15 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 39.62 1iku h PHE 130 CO 0.22 0.32 -0.75 0.87 -2.23 0.00 0.00 178.31 176.74 1iku h LYS 131 N 0.70 0.33 0.00 1.11 1.79 -1.42 -2.71 116.57 116.37 1iku h LYS 131 Ca 0.43 -0.28 -0.00 0.00 -2.18 0.00 0.00 60.65 58.62 1iku h LYS 131 Cb 0.67 0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 31.38 1iku h LYS 131 CO -0.19 0.94 -0.00 1.98 -1.08 0.00 0.00 179.45 181.09 1iku h MET 132 N 0.22 0.00 -6.49 3.15 4.05 0.13 -3.42 114.93 112.57 1iku h MET 132 Ca -0.03 0.00 -0.53 0.00 -0.28 0.00 0.00 59.70 58.86 1iku h MET 132 Cb 1.32 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 32.09 1iku h MET 132 CO 0.12 0.00 0.09 0.42 0.23 0.00 0.00 176.91 177.78 1iku s ILE 133 N -4.45 4.56 0.28 1.77 1.01 -0.67 -4.82 121.20 118.89 1iku s ILE 133 Ca -0.05 1.35 -0.25 0.00 0.00 0.00 0.00 60.65 61.69 1iku s ILE 133 Cb 0.14 -3.92 -0.09 0.00 0.01 0.00 0.00 42.46 38.60 1iku s ILE 133 CO 0.50 0.34 0.89 -0.94 0.00 0.00 0.00 174.94 175.72 1iku s SER 134 N -1.46 7.34 0.00 3.58 1.04 -1.26 -4.87 113.70 118.08 1iku s SER 134 Ca 0.39 1.76 0.00 0.00 0.48 0.00 0.00 55.95 58.58 1iku s SER 134 Cb -0.18 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.39 1iku s SER 134 CO 0.22 0.01 0.52 -2.65 0.98 0.00 0.00 173.24 172.33 1iku n PRO 135 N 0.84 0.00 -0.10 4.02 -0.02 -1.26 -0.84 135.00 137.64 1iku n PRO 135 Ca -0.00 0.13 -0.23 0.00 -2.02 0.00 0.00 63.50 61.38 1iku n PRO 135 Cb 0.50 -1.58 -0.11 0.00 -0.02 0.00 0.00 33.50 32.28 1iku n PRO 135 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1iku n GLU 136 N -1.02 0.58 0.00 -0.52 0.00 -1.26 -4.13 120.64 114.29 1iku n GLU 136 Ca 0.00 0.53 0.12 0.00 0.00 0.00 0.00 57.16 57.81 1iku n GLU 136 Cb 0.08 -1.72 0.56 0.00 0.00 0.00 0.00 31.44 30.36 1iku n GLU 136 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 1iku n ASP 137 N -4.36 0.00 0.24 4.31 -0.08 -0.02 -2.84 116.55 113.80 1iku n ASP 137 Ca -0.35 0.49 0.13 0.00 -1.51 0.00 0.00 54.79 53.55 1iku n ASP 137 Cb 0.72 -0.50 0.44 0.00 2.34 0.00 0.00 41.12 44.13 1iku n ASP 137 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 1iku h THR 138 N 0.00 0.20 0.00 5.18 2.02 -1.45 -2.60 112.91 116.27 1iku h THR 138 Ca 0.00 -0.92 0.00 0.00 0.77 0.00 0.00 66.41 66.26 1iku h THR 138 Cb 0.44 1.78 0.00 0.00 -1.74 0.00 0.00 68.15 68.63 1iku h THR 138 CO 0.00 0.09 0.00 1.17 0.37 0.00 0.00 175.52 177.15 1iku n LYS 139 N -3.18 0.18 0.02 6.66 4.81 -1.13 -2.88 118.16 122.64 1iku n LYS 139 Ca 0.01 0.26 -0.05 0.00 -0.87 0.00 0.00 58.31 57.66 1iku n LYS 139 Cb 0.43 -1.75 -0.11 0.00 0.02 0.00 0.00 35.03 33.62 1iku n LYS 139 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1iku h HIS 140 N 0.00 0.00 -3.63 5.64 3.86 -1.65 -3.47 115.15 115.91 1iku h HIS 140 Ca 0.00 0.00 -0.57 0.00 -1.16 0.00 0.00 60.37 58.64 1iku h HIS 140 Cb 0.53 0.00 0.16 0.00 1.06 0.00 0.00 27.41 29.16 1iku h HIS 140 CO 0.00 0.86 0.14 1.28 0.86 0.00 0.00 177.93 181.06 1iku n LEU 141 N -3.07 3.87 0.00 2.43 4.77 -1.14 -4.96 117.00 118.90 1iku n LEU 141 Ca -0.11 0.79 -0.17 0.00 -0.03 0.00 0.00 56.01 56.50 1iku n LEU 141 Cb 0.95 -1.40 0.16 0.00 -2.33 0.00 0.00 43.42 40.81 1iku n LEU 141 CO 0.44 -1.85 0.19 -2.65 -1.33 0.00 0.00 177.39 172.20 1iku n PRO 142 N -1.14 -2.88 0.07 3.23 -0.01 -1.26 -4.93 135.00 128.08 1iku n PRO 142 Ca 0.14 -0.81 0.07 0.00 -0.01 0.00 0.00 63.50 62.89 1iku n PRO 142 Cb 0.48 -1.17 -0.03 0.00 -0.01 0.00 0.00 33.50 32.76 1iku n PRO 142 CO 0.00 0.00 0.00 1.05 -0.01 0.00 0.00 175.50 176.54 1iku h GLU 143 N 0.00 0.00 -1.07 -0.52 4.11 -1.98 -3.34 114.58 111.78 1iku h GLU 143 Ca -0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.21 1iku h GLU 143 Cb 0.73 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.98 1iku h GLU 143 CO 0.13 0.12 0.00 -0.40 0.07 0.00 0.00 179.01 178.93 1iku n ASP 144 N -2.77 2.27 -0.17 3.06 5.75 -1.26 -2.56 116.55 120.87 1iku n ASP 144 Ca -0.04 -1.77 0.00 0.00 -0.01 0.00 0.00 54.79 52.97 1iku n ASP 144 Cb 0.67 -0.44 0.00 0.00 -1.03 0.00 0.00 41.12 40.32 1iku n ASP 144 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1iku n GLU 145 N 0.45 0.00 -0.22 0.11 -0.58 -1.25 -4.74 120.64 114.41 1iku n GLU 145 Ca 0.00 -0.49 0.07 0.00 -0.42 0.00 0.00 57.16 56.32 1iku n GLU 145 Cb 0.39 -0.36 0.14 0.00 -0.57 0.00 0.00 31.44 31.04 1iku n GLU 145 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1iku n ASN 146 N 0.00 -0.13 -3.74 1.62 4.05 -1.06 -4.54 115.26 111.47 1iku n ASN 146 Ca 0.00 1.05 -0.11 0.00 0.45 0.00 0.00 54.58 55.96 1iku n ASN 146 Cb 0.55 -0.36 -0.07 0.00 1.23 0.00 0.00 39.78 41.13 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 -5.60 0.08 -0.41 -0.44 -1.32 -1.26 -5.00 115.64 101.70 1iku s THR 147 Ca -0.08 -0.69 0.13 0.00 -1.21 0.00 0.00 61.69 59.84 1iku s THR 147 Cb 0.17 -1.00 0.13 0.00 -1.51 0.00 0.00 72.50 70.29 1iku s THR 147 CO 0.48 -0.38 1.35 -2.65 -2.21 0.00 0.00 174.62 171.21 1iku n PRO 148 N 0.42 0.08 -0.05 7.08 -0.01 -1.26 -1.49 135.00 139.77 1iku n PRO 148 Ca -0.18 0.56 -0.15 0.00 -0.01 0.00 0.00 63.50 63.72 1iku n PRO 148 Cb 0.60 -1.84 -0.13 0.00 -0.01 0.00 0.00 33.50 32.12 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 0.06 0.00 -0.52 5.08 -1.94 -1.77 114.58 115.48 1iku h GLU 149 Ca 0.00 -0.08 -0.08 0.00 -1.00 0.00 0.00 59.36 58.20 1iku h GLU 149 Cb 0.14 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1iku h GLU 149 CO 0.00 0.99 -0.36 0.87 -1.00 0.00 0.00 179.01 179.51 1iku h LYS 150 N -0.84 0.00 0.08 2.33 1.57 -1.77 -2.11 116.57 115.83 1iku h LYS 150 Ca -0.02 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.50 1iku h LYS 150 Cb 1.05 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.37 1iku h LYS 150 CO 0.02 0.36 -1.12 -0.09 -0.57 0.00 0.00 179.45 178.06 1iku h ARG 151 N 0.00 0.37 0.09 3.15 2.43 -1.36 -2.85 114.38 116.22 1iku h ARG 151 Ca -0.00 -0.51 -0.28 0.00 -0.81 0.00 0.00 59.98 58.37 1iku h ARG 151 Cb 1.14 0.17 0.02 0.00 -0.42 0.00 0.00 29.97 30.88 1iku h ARG 151 CO 0.05 1.19 -1.19 0.00 -1.51 0.00 0.00 179.97 178.51 1iku h ALA 152 N 0.61 0.07 -0.17 2.80 0.00 -1.30 -2.83 119.26 118.43 1iku h ALA 152 Ca -0.12 -0.77 0.01 0.00 0.00 0.00 0.00 54.91 54.03 1iku h ALA 152 Cb 1.80 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.66 1iku h ALA 152 CO 0.19 0.74 0.08 0.93 0.00 0.00 0.00 179.25 181.19 1iku h GLU 153 N 0.26 0.17 0.07 0.00 5.08 -1.46 -0.64 114.58 118.07 1iku h GLU 153 Ca -0.16 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.20 1iku h GLU 153 Cb 1.86 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 31.05 1iku h GLU 153 CO 0.22 0.11 -0.13 0.87 -1.00 0.00 0.00 179.01 179.08 1iku h LYS 154 N 0.18 -0.26 -0.96 2.33 6.56 -1.57 -0.29 116.57 122.56 1iku h LYS 154 Ca 0.07 0.02 0.18 0.00 -1.06 0.00 0.00 60.65 59.86 1iku h LYS 154 Cb 0.02 0.06 -0.09 0.00 -0.57 0.00 0.00 32.23 31.65 1iku h LYS 154 CO -0.05 -0.17 0.61 0.82 -2.06 0.00 0.00 179.45 178.59 1iku h ILE 155 N -0.27 0.74 -0.39 1.86 2.04 -1.22 0.77 117.51 121.03 1iku h ILE 155 Ca 0.02 -0.23 -0.09 0.00 1.00 0.00 0.00 64.86 65.56 1iku h ILE 155 Cb 0.28 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.36 1iku h ILE 155 CO -0.08 0.12 -0.11 -0.25 0.00 0.00 0.00 178.15 177.83 1iku h TRP 156 N 0.67 0.87 0.00 1.37 2.91 -0.11 -1.81 115.95 119.85 1iku h TRP 156 Ca 0.52 -0.19 0.00 0.00 1.13 0.00 0.00 58.89 60.35 1iku h TRP 156 Cb 0.92 -0.21 0.00 0.00 -0.51 0.00 0.00 29.16 29.36 1iku h TRP 156 CO -0.00 0.91 0.00 0.41 -1.03 0.00 0.00 178.44 178.73 1iku n GLY 157 N -0.17 -0.86 0.00 2.65 0.00 0.08 -0.81 105.19 106.08 1iku n GLY 157 Ca -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1iku n GLY 157 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1iku n PHE 158 N -1.22 0.00 1.06 1.61 3.72 -0.12 -4.35 117.46 118.16 1iku n PHE 158 Ca 0.11 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.62 1iku n PHE 158 Cb 0.14 -0.26 0.14 0.00 -0.94 0.00 0.00 39.48 38.55 1iku n PHE 158 CO 0.00 0.00 0.00 1.97 -0.05 0.00 0.00 176.76 178.68 1iku n PHE 159 N -2.22 0.00 0.08 1.38 1.16 -1.05 -4.15 117.46 112.66 1iku n PHE 159 Ca 0.00 0.00 -0.19 0.00 -1.87 0.00 0.00 57.45 55.39 1iku n PHE 159 Cb 0.00 -0.10 -0.11 0.00 -1.61 0.00 0.00 39.48 37.66 1iku n PHE 159 CO 0.00 0.00 0.00 0.78 -1.87 0.00 0.00 176.76 175.67 1iku h GLY 160 N 4.95 0.62 0.00 4.97 0.00 -1.14 -3.46 103.07 109.02 1iku h GLY 160 Ca 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 47.33 46.10 1iku h GLY 160 CO 0.00 1.08 0.00 0.28 0.00 0.00 0.00 176.54 177.90 1iku n LYS 161 N -3.77 -0.30 -3.58 4.80 4.76 -1.21 -4.79 118.16 114.08 1iku n LYS 161 Ca -0.11 0.06 -0.12 0.00 -2.87 0.00 0.00 58.31 55.27 1iku n LYS 161 Cb 0.94 -3.74 -0.11 0.00 -1.84 0.00 0.00 35.03 30.27 1iku n LYS 161 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1iku s LYS 162 N -0.86 0.24 0.19 1.97 1.02 -1.26 -5.12 119.74 115.92 1iku s LYS 162 Ca 0.00 0.73 -0.33 0.00 0.02 0.00 0.00 55.97 56.39 1iku s LYS 162 Cb 0.00 -0.15 -0.13 0.00 -0.52 0.00 0.00 37.83 37.02 1iku s LYS 162 CO 0.00 -0.39 1.58 -0.40 -0.92 0.00 0.00 175.35 175.22 1iku n ASP 163 N 5.36 3.23 -3.43 2.83 5.75 -1.26 -2.85 116.55 126.18 1iku n ASP 163 Ca -0.06 1.09 -0.14 0.00 -0.01 0.00 0.00 54.79 55.67 1iku n ASP 163 Cb 0.50 -1.46 0.01 0.00 -1.03 0.00 0.00 41.12 39.13 1iku n ASP 163 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1iku n ASP 164 N 3.27 -6.30 0.00 -1.12 9.92 -1.26 -5.00 116.55 116.05 1iku n ASP 164 Ca 0.16 -0.55 0.00 0.00 -0.53 0.00 0.00 54.79 53.86 1iku n ASP 164 Cb 0.30 -3.60 0.00 0.00 -0.64 0.00 0.00 41.12 37.18 1iku n ASP 164 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 1iku n ASP 165 N -2.24 0.00 -3.86 -2.24 5.75 -1.13 -5.05 116.55 107.78 1iku n ASP 165 Ca -0.14 0.00 -0.11 0.00 -0.01 0.00 0.00 54.79 54.52 1iku n ASP 165 Cb 0.59 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 40.58 1iku n ASP 165 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1iku s LYS 166 N 4.50 0.50 -0.05 0.11 1.02 -1.26 -4.51 119.74 120.05 1iku s LYS 166 Ca 0.00 -0.35 0.07 0.00 0.02 0.00 0.00 55.97 55.70 1iku s LYS 166 Cb 0.00 0.21 -0.01 0.00 -0.52 0.00 0.00 37.83 37.51 1iku s LYS 166 CO 0.00 -0.12 -0.25 -0.51 -0.92 0.00 0.00 175.35 173.55 1iku s LEU 167 N -1.34 2.11 0.54 3.17 1.43 -0.91 -4.93 118.68 118.75 1iku s LEU 167 Ca -0.14 -0.48 0.02 0.00 -1.03 0.00 0.00 54.13 52.50 1iku s LEU 167 Cb -0.07 -1.37 0.03 0.00 0.03 0.00 0.00 46.19 44.81 1iku s LEU 167 CO 0.02 0.27 0.76 0.42 0.23 0.00 0.00 176.35 178.05 1iku s THR 168 N -0.34 2.68 0.11 5.49 -4.23 -1.26 -1.94 115.64 116.15 1iku s THR 168 Ca 0.02 -0.70 -0.34 0.00 -1.18 0.00 0.00 61.69 59.49 1iku s THR 168 Cb -0.12 -2.98 -0.13 0.00 1.34 0.00 0.00 72.50 70.61 1iku s THR 168 CO 0.02 0.00 1.56 -0.08 -0.54 0.00 0.00 174.62 175.58 1iku h GLU 169 N 0.12 -0.67 0.78 3.99 4.81 -1.97 -0.80 114.58 120.83 1iku h GLU 169 Ca -0.41 0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 58.82 1iku h GLU 169 Cb 1.29 0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.83 1iku h GLU 169 CO 0.51 -0.45 -0.41 0.87 -0.73 0.00 0.00 179.01 178.80 1iku h LYS 170 N -0.70 -1.06 -0.98 1.92 1.79 -1.96 -2.69 116.57 112.90 1iku h LYS 170 Ca 0.01 0.07 0.12 0.00 -2.18 0.00 0.00 60.65 58.67 1iku h LYS 170 Cb 0.73 0.24 -0.14 0.00 -1.58 0.00 0.00 32.23 31.48 1iku h LYS 170 CO -0.31 -0.71 -0.47 0.39 -1.08 0.00 0.00 179.45 177.27 1iku n GLU 171 N -5.57 -0.32 -0.12 3.15 4.71 -1.13 -0.01 120.64 121.34 1iku n GLU 171 Ca -0.15 1.49 -0.06 0.00 -0.01 0.00 0.00 57.16 58.44 1iku n GLU 171 Cb 0.45 -2.20 0.01 0.00 -1.01 0.00 0.00 31.44 28.68 1iku n GLU 171 CO 0.00 0.00 0.00 0.35 0.09 0.00 0.00 177.13 177.57 1iku h PHE 172 N 0.00 -0.57 0.84 -0.32 3.04 -1.05 0.88 116.94 119.75 1iku h PHE 172 Ca 0.25 0.05 -0.04 0.00 3.98 0.00 0.00 57.97 62.21 1iku h PHE 172 Cb 0.50 0.31 0.01 0.00 2.56 0.00 0.00 35.95 39.33 1iku h PHE 172 CO -0.93 -0.30 -0.40 0.82 -2.02 0.00 0.00 178.31 175.48 1iku h ILE 173 N -0.15 0.00 0.00 1.41 1.08 -0.09 -2.01 117.51 117.75 1iku h ILE 173 Ca 0.20 -0.02 0.00 0.00 -0.39 0.00 0.00 64.86 64.65 1iku h ILE 173 Cb 0.45 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.20 1iku h ILE 173 CO -0.50 0.00 0.14 -0.33 -0.69 0.00 0.00 178.15 176.77 1iku h GLU 174 N -1.14 0.00 -0.06 2.37 4.39 -0.22 -1.13 114.58 118.79 1iku h GLU 174 Ca -0.11 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.44 1iku h GLU 174 Cb 0.86 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.52 1iku h GLU 174 CO 0.19 0.00 -0.54 0.78 -1.16 0.00 0.00 179.01 178.28 1iku h GLY 175 N 0.00 0.52 1.18 -3.84 0.00 0.15 -1.99 103.07 99.10 1iku h GLY 175 Ca 0.00 -0.80 -0.29 0.00 0.00 0.00 0.00 47.33 46.24 1iku h GLY 175 CO 0.00 0.71 -1.19 -0.91 0.00 0.00 0.00 176.54 175.15 1iku h THR 176 N 0.02 1.30 -0.34 4.70 1.35 -0.86 -2.81 112.91 116.26 1iku h THR 176 Ca -0.05 -2.44 -0.07 0.00 -0.55 0.00 0.00 66.41 63.30 1iku h THR 176 Cb 1.21 2.71 -0.01 0.00 -1.73 0.00 0.00 68.15 70.33 1iku h THR 176 CO 0.11 0.74 -0.06 0.25 -0.25 0.00 0.00 175.52 176.31 1iku h LEU 177 N 0.23 0.64 0.11 3.87 5.85 -1.43 -3.26 115.31 121.32 1iku h LEU 177 Ca -0.18 -0.35 -0.01 0.00 0.84 0.00 0.00 57.88 58.19 1iku h LEU 177 Cb 1.87 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.73 1iku h LEU 177 CO 0.23 0.84 -0.05 0.00 -0.34 0.00 0.00 178.44 179.11 1iku h ALA 178 N 0.83 -0.15 -3.13 1.25 0.00 -1.46 -3.42 119.26 113.17 1iku h ALA 178 Ca 0.09 -0.14 -0.59 0.00 0.00 0.00 0.00 54.91 54.27 1iku h ALA 178 Cb 0.54 0.06 -0.11 0.00 0.00 0.00 0.00 17.79 18.28 1iku h ALA 178 CO 0.03 -0.46 -0.36 -0.80 0.00 0.00 0.00 179.25 177.66 1iku s ASN 179 N -5.29 6.38 0.18 0.00 -0.87 -1.06 -4.97 114.94 109.31 1iku s ASN 179 Ca -0.15 0.43 0.04 0.00 -1.57 0.00 0.00 52.86 51.61 1iku s ASN 179 Cb 0.03 -2.16 0.05 0.00 -0.02 0.00 0.00 41.25 39.16 1iku s ASN 179 CO 0.64 0.11 1.42 0.11 -2.57 0.00 0.00 177.10 176.80 1iku h LYS 180 N 6.73 0.18 0.33 -0.60 1.57 -1.82 -3.20 116.57 119.77 1iku h LYS 180 Ca -0.41 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.18 1iku h LYS 180 Cb 1.16 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.51 1iku h LYS 180 CO 0.75 0.90 -0.28 0.93 -0.57 0.00 0.00 179.45 181.18 1iku h GLU 181 N 0.11 -0.58 -0.76 3.15 3.07 -1.93 -1.45 114.58 116.18 1iku h GLU 181 Ca -0.03 0.04 0.15 0.00 -0.50 0.00 0.00 59.36 59.02 1iku h GLU 181 Cb 1.42 0.13 -0.14 0.00 -0.84 0.00 0.00 28.75 29.32 1iku h GLU 181 CO 0.12 -0.39 -0.22 0.82 -1.40 0.00 0.00 179.01 177.94 1iku h ILE 182 N -0.60 0.20 -0.95 3.13 2.04 -1.88 0.77 117.51 120.22 1iku h ILE 182 Ca -0.04 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.00 1iku h ILE 182 Cb 0.51 0.20 -0.08 0.00 -0.74 0.00 0.00 36.82 36.71 1iku h ILE 182 CO -0.01 0.00 0.60 0.25 0.00 0.00 0.00 178.15 179.00 1iku h LEU 183 N -0.02 0.63 -0.05 1.44 5.85 -1.48 0.57 115.31 122.25 1iku h LEU 183 Ca 0.35 0.06 0.00 0.00 0.84 0.00 0.00 57.88 59.14 1iku h LEU 183 Cb 0.57 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.54 1iku h LEU 183 CO -0.80 0.26 -0.24 0.54 -0.34 0.00 0.00 178.44 177.87 1iku n ARG 184 N -4.62 0.14 0.00 1.25 1.74 0.24 -1.96 116.66 113.45 1iku n ARG 184 Ca 0.20 -0.05 0.09 0.00 -0.77 0.00 0.00 57.85 57.32 1iku n ARG 184 Cb 0.59 -1.50 -0.07 0.00 -1.02 0.00 0.00 32.46 30.45 1iku n ARG 184 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1iku n LEU 185 N -1.38 1.16 -0.05 0.55 4.77 0.16 -4.60 117.00 117.60 1iku n LEU 185 Ca 0.08 -0.58 -0.10 0.00 -0.03 0.00 0.00 56.01 55.38 1iku n LEU 185 Cb 0.33 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.37 1iku n LEU 185 CO 0.30 0.25 -0.87 0.00 -1.33 0.00 0.00 177.39 175.74 1iku n ILE 186 N -1.01 0.61 -2.72 -0.08 0.00 1.00 -4.86 119.36 112.29 1iku n ILE 186 Ca 0.05 -0.18 -0.42 0.00 0.00 0.00 0.00 62.75 62.19 1iku n ILE 186 Cb 0.32 -1.36 -0.02 0.00 0.00 0.00 0.00 39.64 38.58 1iku n ILE 186 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 176.55 174.97 1iku s GLN 187 N -2.21 3.69 0.23 9.51 0.74 -0.83 -4.94 119.66 125.86 1iku s GLN 187 Ca -0.15 -1.58 0.00 0.00 0.05 0.00 0.00 55.36 53.68 1iku s GLN 187 Cb 0.05 -5.21 0.00 0.00 1.10 0.00 0.00 33.01 28.95 1iku s GLN 187 CO 0.21 -2.04 0.00 0.34 -0.55 0.00 0.00 175.29 173.26 1iku n PHE 188 N 7.77 0.00 0.54 1.67 7.35 -1.26 -4.85 117.46 128.68 1iku n PHE 188 Ca 0.33 0.00 0.04 0.00 -0.76 0.00 0.00 57.45 57.06 1iku n PHE 188 Cb 0.49 0.00 0.26 0.00 0.35 0.00 0.00 39.48 40.58 1iku n PHE 188 CO 0.00 0.00 0.00 -1.91 -0.76 0.00 0.00 176.76 174.09