#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iku s ASN 3 N 0.00 1.59 0.16 1.61 -0.87 -1.26 -5.01 114.94 111.17 1iku s ASN 3 Ca 0.00 -0.56 -0.12 0.00 -1.57 0.00 0.00 52.86 50.60 1iku s ASN 3 Cb 0.00 -0.06 0.05 0.00 -0.02 0.00 0.00 41.25 41.23 1iku s ASN 3 CO 0.00 -0.06 1.69 0.77 -2.57 0.00 0.00 177.10 176.93 1iku h SER 4 N 4.49 0.81 -0.22 -1.22 4.64 -2.00 -2.98 113.55 117.08 1iku h SER 4 Ca -0.40 -0.21 0.04 0.00 -0.47 0.00 0.00 61.79 60.75 1iku h SER 4 Cb 1.19 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 63.03 1iku h SER 4 CO 0.41 0.81 0.00 0.50 -0.87 0.00 0.00 176.83 177.68 1iku h LYS 5 N 0.78 0.07 0.00 4.77 3.64 -1.98 0.12 116.57 123.97 1iku h LYS 5 Ca 0.18 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 1iku h LYS 5 Cb 0.28 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1iku h LYS 5 CO -0.01 0.04 0.27 1.03 -2.27 0.00 0.00 179.45 178.52 1iku h SER 6 N 0.07 0.00 0.31 4.20 0.87 -1.94 0.39 113.55 117.44 1iku h SER 6 Ca 0.10 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.52 1iku h SER 6 Cb 0.13 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 1iku h SER 6 CO -0.17 0.00 -0.58 1.23 -0.53 0.00 0.00 176.83 176.77 1iku h GLY 7 N 0.00 0.31 0.87 5.77 0.00 -0.74 -3.15 103.07 106.13 1iku h GLY 7 Ca 0.00 -0.38 -0.02 0.00 0.00 0.00 0.00 47.33 46.93 1iku h GLY 7 CO 0.00 0.34 0.06 0.00 0.00 0.00 0.00 176.54 176.94 1iku h ALA 8 N 1.17 0.28 -0.75 3.60 0.00 -0.29 -2.31 119.26 120.96 1iku h ALA 8 Ca -0.00 -0.15 0.20 0.00 0.00 0.00 0.00 54.91 54.96 1iku h ALA 8 Cb 1.09 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 1iku h ALA 8 CO 0.09 -0.09 0.52 -0.07 0.00 0.00 0.00 179.25 179.71 1iku h LEU 9 N 0.17 0.14 -0.27 0.00 3.38 -1.60 0.57 115.31 117.70 1iku h LEU 9 Ca 0.07 0.01 -0.20 0.00 0.09 0.00 0.00 57.88 57.85 1iku h LEU 9 Cb 0.25 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1iku h LEU 9 CO -0.00 0.06 -0.65 0.28 0.09 0.00 0.00 178.44 178.22 1iku h SER 10 N 0.14 0.91 0.26 -0.43 0.02 -1.41 -2.52 113.55 110.53 1iku h SER 10 Ca 0.37 -0.54 -0.01 0.00 -0.84 0.00 0.00 61.79 60.76 1iku h SER 10 Cb 1.24 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 63.52 1iku h SER 10 CO -0.05 1.33 -0.13 0.50 -1.14 0.00 0.00 176.83 177.34 1iku h LYS 11 N 0.58 -0.34 -0.42 3.45 3.64 -0.56 0.20 116.57 123.12 1iku h LYS 11 Ca -0.02 0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.42 1iku h LYS 11 Cb 1.26 0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 33.13 1iku h LYS 11 CO 0.14 -0.17 0.21 0.93 -2.27 0.00 0.00 179.45 178.29 1iku h GLU 12 N -0.43 0.41 0.57 1.90 4.39 -1.50 -0.32 114.58 119.59 1iku h GLU 12 Ca -0.04 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.61 1iku h GLU 12 Cb 0.33 -0.09 0.01 0.00 -0.10 0.00 0.00 28.75 28.89 1iku h GLU 12 CO 0.06 0.27 -0.27 0.82 -1.16 0.00 0.00 179.01 178.73 1iku h ILE 13 N 0.43 0.00 -0.03 3.13 2.04 -1.32 -1.17 117.51 120.59 1iku h ILE 13 Ca 0.18 -0.18 0.01 0.00 1.00 0.00 0.00 64.86 65.87 1iku h ILE 13 Cb 0.09 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.17 1iku h ILE 13 CO -0.13 0.00 0.43 -0.07 0.00 0.00 0.00 178.15 178.38 1iku h LEU 14 N -0.94 0.00 0.20 1.44 3.38 -0.58 0.20 115.31 119.00 1iku h LEU 14 Ca -0.08 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.55 1iku h LEU 14 Cb 0.58 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.35 1iku h LEU 14 CO 0.13 0.00 -1.64 -0.08 0.09 0.00 0.00 178.44 176.94 1iku h GLU 15 N 0.00 0.42 -0.09 1.13 4.81 -0.73 -3.31 114.58 116.81 1iku h GLU 15 Ca 0.02 -0.71 -0.15 0.00 -0.13 0.00 0.00 59.36 58.38 1iku h GLU 15 Cb 0.87 0.26 -0.01 0.00 0.63 0.00 0.00 28.75 30.50 1iku h GLU 15 CO -0.00 1.33 -0.62 1.49 -0.73 0.00 0.00 179.01 180.48 1iku h GLU 16 N 0.11 0.32 -0.51 1.92 4.57 0.59 -3.30 114.58 118.28 1iku h GLU 16 Ca -0.30 -0.22 0.05 0.00 -1.18 0.00 0.00 59.36 57.71 1iku h GLU 16 Cb 2.11 0.03 -0.07 0.00 -0.16 0.00 0.00 28.75 30.66 1iku h GLU 16 CO 0.21 0.83 -0.43 1.25 -1.18 0.00 0.00 179.01 179.69 1iku h LEU 17 N 0.23 -1.49 0.00 1.64 6.46 -1.31 -3.45 115.31 117.40 1iku h LEU 17 Ca -0.01 0.21 0.00 0.00 -0.12 0.00 0.00 57.88 57.96 1iku h LEU 17 Cb 1.14 0.64 0.00 0.00 -0.73 0.00 0.00 40.66 41.71 1iku h LEU 17 CO 0.10 -0.24 0.00 0.00 -0.62 0.00 0.00 178.44 177.68 1iku n GLN 18 N -4.68 0.00 -1.23 1.25 6.02 -1.24 -4.89 117.38 112.62 1iku n GLN 18 Ca -0.01 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.88 1iku n GLN 18 Cb 0.23 0.00 0.06 0.00 1.02 0.00 0.00 30.24 31.54 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 -3.13 1.08 4.77 -1.24 -5.02 117.00 113.46 1iku n LEU 19 Ca 0.00 -0.79 0.05 0.00 -0.03 0.00 0.00 56.01 55.24 1iku n LEU 19 Cb 0.00 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 40.78 1iku n LEU 19 CO 0.00 -0.76 0.46 0.21 -1.33 0.00 0.00 177.39 175.97 1iku s ASN 20 N -2.76 -0.57 0.14 -1.43 3.84 -1.26 -4.45 114.94 108.44 1iku s ASN 20 Ca 0.28 0.04 0.18 0.00 0.21 0.00 0.00 52.86 53.58 1iku s ASN 20 Cb -0.01 1.32 -0.06 0.00 -0.55 0.00 0.00 41.25 41.95 1iku s ASN 20 CO 0.19 -0.10 0.99 0.00 -2.79 0.00 0.00 177.10 175.39 1iku h THR 21 N 4.63 0.38 0.00 -5.21 1.03 -1.91 -3.46 112.91 108.37 1iku h THR 21 Ca -0.08 -1.70 0.00 0.00 -0.01 0.00 0.00 66.41 64.62 1iku h THR 21 Cb 1.18 1.93 0.00 0.00 -1.07 0.00 0.00 68.15 70.19 1iku h THR 21 CO -0.06 0.22 0.00 1.17 -0.01 0.00 0.00 175.52 176.83 1iku n LYS 22 N -2.88 0.00 -1.03 0.00 4.81 -1.26 -4.94 118.16 112.86 1iku n LYS 22 Ca -0.05 0.00 -0.29 0.00 -0.87 0.00 0.00 58.31 57.10 1iku n LYS 22 Cb 0.73 -3.42 0.19 0.00 0.02 0.00 0.00 35.03 32.56 1iku n LYS 22 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 1iku s PHE 23 N -1.66 1.93 0.68 5.64 0.08 -1.26 -5.04 117.98 118.35 1iku s PHE 23 Ca 0.00 1.03 0.01 0.00 0.12 0.00 0.00 56.93 58.10 1iku s PHE 23 Cb 0.00 -3.23 0.11 0.00 -0.57 0.00 0.00 43.02 39.33 1iku s PHE 23 CO 0.00 -3.11 0.93 -0.08 -0.10 0.00 0.00 175.22 172.86 1iku s THR 24 N -2.86 2.20 0.02 0.64 -1.32 -1.26 -5.03 115.64 108.04 1iku s THR 24 Ca 0.66 -0.67 -0.16 0.00 -1.21 0.00 0.00 61.69 60.31 1iku s THR 24 Cb -0.20 -2.53 -0.35 0.00 -1.51 0.00 0.00 72.50 67.90 1iku s THR 24 CO 0.59 0.00 0.98 1.05 -2.21 0.00 0.00 174.62 175.03 1iku h GLU 25 N -0.34 0.52 -0.94 7.08 -0.00 -1.95 -3.24 114.58 115.71 1iku h GLU 25 Ca -0.36 -0.90 0.17 0.00 -0.00 0.00 0.00 59.36 58.28 1iku h GLU 25 Cb 1.27 0.33 -0.08 0.00 -0.00 0.00 0.00 28.75 30.28 1iku h GLU 25 CO 0.42 1.43 0.60 1.05 -0.00 0.00 0.00 179.01 182.51 1iku h GLU 26 N 0.11 0.66 0.67 1.06 4.11 -1.94 0.22 114.58 119.46 1iku h GLU 26 Ca -0.25 -0.04 -0.03 0.00 0.07 0.00 0.00 59.36 59.10 1iku h GLU 26 Cb 2.13 -0.15 0.01 0.00 0.50 0.00 0.00 28.75 31.24 1iku h GLU 26 CO 0.27 0.43 -0.32 0.93 0.07 0.00 0.00 179.01 180.39 1iku h GLU 27 N 0.67 -0.87 -0.70 1.06 4.39 -1.97 -2.44 114.58 114.73 1iku h GLU 27 Ca 0.50 0.06 0.20 0.00 0.34 0.00 0.00 59.36 60.46 1iku h GLU 27 Cb 0.87 0.20 -0.03 0.00 -0.10 0.00 0.00 28.75 29.69 1iku h GLU 27 CO -0.26 -0.54 0.51 -0.07 -1.16 0.00 0.00 179.01 177.49 1iku h LEU 28 N -1.10 0.00 0.44 1.33 3.38 -1.41 -0.21 115.31 117.74 1iku h LEU 28 Ca -0.09 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 1iku h LEU 28 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1iku h LEU 28 CO 0.15 0.00 -0.21 -1.28 0.09 0.00 0.00 178.44 177.19 1iku h SER 29 N 0.00 -0.50 -0.30 -0.43 0.87 -0.52 0.47 113.55 113.15 1iku h SER 29 Ca 0.33 -0.01 -0.10 0.00 -1.23 0.00 0.00 61.79 60.78 1iku h SER 29 Cb 1.35 0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 63.42 1iku h SER 29 CO -0.00 -0.32 -0.17 -1.28 -0.53 0.00 0.00 176.83 174.53 1iku h SER 30 N -0.63 0.75 -0.36 6.23 0.87 -0.84 -2.82 113.55 116.75 1iku h SER 30 Ca -0.06 -0.25 -0.13 0.00 -1.23 0.00 0.00 61.79 60.13 1iku h SER 30 Cb 0.47 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.22 1iku h SER 30 CO 0.10 0.92 -0.24 -0.25 -0.53 0.00 0.00 176.83 176.83 1iku h TRP 31 N 0.67 0.99 0.48 2.24 7.01 -0.93 -0.80 115.95 125.61 1iku h TRP 31 Ca 0.10 -0.24 -0.02 0.00 2.11 0.00 0.00 58.89 60.84 1iku h TRP 31 Cb 0.66 -0.23 0.00 0.00 -2.10 0.00 0.00 29.16 27.49 1iku h TRP 31 CO 0.03 1.01 -0.24 -0.92 -2.79 0.00 0.00 178.44 175.54 1iku h TYR 32 N 0.74 -0.61 -0.67 2.65 3.20 0.12 0.75 116.97 123.15 1iku h TYR 32 Ca 0.10 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.01 1iku h TYR 32 Cb 0.79 0.21 -0.06 0.00 1.54 0.00 0.00 36.73 39.21 1iku h TYR 32 CO 0.05 -0.38 0.37 1.96 -1.64 0.00 0.00 178.16 178.52 1iku h GLN 33 N -0.65 0.67 -0.08 1.82 4.20 -1.57 -0.90 115.11 118.60 1iku h GLN 33 Ca -0.07 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.55 1iku h GLN 33 Cb 0.50 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 1iku h GLN 33 CO 0.10 0.44 -0.22 1.03 -0.67 0.00 0.00 178.83 179.52 1iku h SER 34 N 0.69 0.12 -0.07 1.46 0.87 -1.06 -0.29 113.55 115.27 1iku h SER 34 Ca 0.30 -0.03 -0.07 0.00 -1.23 0.00 0.00 61.79 60.77 1iku h SER 34 Cb 0.19 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.12 1iku h SER 34 CO -0.18 0.35 -0.21 0.15 -0.53 0.00 0.00 176.83 176.41 1iku h PHE 35 N 0.12 0.36 0.00 2.24 3.57 0.18 -2.81 116.94 120.60 1iku h PHE 35 Ca 0.02 -0.14 0.00 0.00 3.53 0.00 0.00 57.97 61.38 1iku h PHE 35 Cb 0.46 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.14 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 -4.53 0.00 -0.03 0.59 4.77 -0.56 -2.64 117.00 114.60 1iku n LEU 36 Ca -0.08 0.46 -0.16 0.00 -0.03 0.00 0.00 56.01 56.19 1iku n LEU 36 Cb 0.43 -0.46 -0.13 0.00 -2.33 0.00 0.00 43.42 40.93 1iku n LEU 36 CO 0.39 -0.06 0.22 0.11 -1.33 0.00 0.00 177.39 176.73 1iku h LYS 37 N 0.00 0.10 -0.21 3.23 1.79 -0.93 -3.35 116.57 117.20 1iku h LYS 37 Ca 0.00 -0.17 -0.17 0.00 -2.18 0.00 0.00 60.65 58.14 1iku h LYS 37 Cb 0.40 0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 31.11 1iku h LYS 37 CO 0.00 1.08 -0.55 0.93 -1.08 0.00 0.00 179.45 179.83 1iku h GLU 38 N -0.79 0.64 -6.60 3.15 5.08 -1.53 -3.45 114.58 111.08 1iku h GLU 38 Ca -0.07 -0.40 -0.54 0.00 -1.00 0.00 0.00 59.36 57.35 1iku h GLU 38 Cb 1.23 0.05 0.22 0.00 0.50 0.00 0.00 28.75 30.75 1iku h GLU 38 CO 0.04 1.02 -0.84 0.00 -1.00 0.00 0.00 179.01 178.23 1iku h PRO 40 N -1.34 -0.68 -0.06 0.00 0.13 -1.88 -3.43 132.00 124.75 1iku h PRO 40 Ca -0.44 0.05 -0.14 0.00 -0.87 0.00 0.00 66.00 64.60 1iku h PRO 40 Cb 1.29 0.15 -0.14 0.00 0.13 0.00 0.00 31.00 32.44 1iku h PRO 40 CO 0.33 -0.45 -0.29 0.45 -0.23 0.00 0.00 178.00 177.81 1iku n SER 41 N -5.40 -2.20 0.00 1.44 2.88 -1.26 -4.92 113.62 104.16 1iku n SER 41 Ca -0.12 -2.54 0.00 0.00 -1.33 0.00 0.00 58.87 54.88 1iku n SER 41 Cb 0.30 1.31 0.00 0.00 -0.75 0.00 0.00 64.21 65.07 1iku n SER 41 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1iku n GLY 42 N 1.71 0.13 3.79 0.46 0.00 -1.26 -4.92 105.19 105.11 1iku n GLY 42 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 1iku n GLY 42 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1iku s ARG 43 N -0.87 3.87 0.22 1.61 0.52 -1.26 -2.11 118.95 120.93 1iku s ARG 43 Ca 0.00 -0.17 0.09 0.00 -0.52 0.00 0.00 55.73 55.13 1iku s ARG 43 Cb 0.00 -3.32 -0.05 0.00 0.52 0.00 0.00 34.95 32.10 1iku s ARG 43 CO 0.00 0.50 -0.16 0.96 0.02 0.00 0.00 175.30 176.63 1iku s ILE 44 N -0.24 1.92 0.43 1.52 -4.36 -0.33 -4.38 121.20 115.76 1iku s ILE 44 Ca 0.11 -2.25 0.08 0.00 -0.26 0.00 0.00 60.65 58.33 1iku s ILE 44 Cb -0.12 -2.10 -0.02 0.00 1.25 0.00 0.00 42.46 41.48 1iku s ILE 44 CO 0.01 -0.54 0.37 0.42 0.24 0.00 0.00 174.94 175.44 1iku s THR 45 N -2.83 2.57 0.00 8.37 -4.23 -1.26 -1.28 115.64 116.97 1iku s THR 45 Ca 0.24 -1.38 0.00 0.00 -1.18 0.00 0.00 61.69 59.37 1iku s THR 45 Cb -0.02 -2.94 0.00 0.00 1.34 0.00 0.00 72.50 70.88 1iku s THR 45 CO 0.09 0.00 0.93 0.54 -0.54 0.00 0.00 174.62 175.64 1iku n ARG 46 N -1.54 0.00 0.27 3.99 1.74 -1.26 -0.66 116.66 119.19 1iku n ARG 46 Ca 0.03 0.49 0.05 0.00 -0.77 0.00 0.00 57.85 57.65 1iku n ARG 46 Cb 0.62 -1.46 0.14 0.00 -1.02 0.00 0.00 32.46 30.75 1iku n ARG 46 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1iku h GLN 47 N 0.00 0.00 0.01 5.56 7.50 -1.97 0.41 115.11 126.61 1iku h GLN 47 Ca 0.00 0.00 -0.24 0.00 0.50 0.00 0.00 58.65 58.91 1iku h GLN 47 Cb 0.00 0.00 -0.03 0.00 0.05 0.00 0.00 27.48 27.50 1iku h GLN 47 CO 0.00 0.00 -1.31 1.49 -1.50 0.00 0.00 178.83 177.51 1iku h GLU 48 N 0.00 0.01 -0.30 1.46 4.57 -1.89 -3.33 114.58 115.11 1iku h GLU 48 Ca 0.06 -0.02 0.03 0.00 -1.18 0.00 0.00 59.36 58.24 1iku h GLU 48 Cb 1.96 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 30.52 1iku h GLU 48 CO -0.00 1.01 0.12 0.35 -1.18 0.00 0.00 179.01 179.31 1iku h PHE 49 N -0.96 0.23 -0.96 0.92 3.57 0.21 -1.31 116.94 118.64 1iku h PHE 49 Ca -0.36 0.01 0.22 0.00 3.53 0.00 0.00 57.97 61.38 1iku h PHE 49 Cb 1.34 -0.06 -0.08 0.00 2.79 0.00 0.00 35.95 39.94 1iku h PHE 49 CO 0.09 0.11 0.62 0.37 -2.23 0.00 0.00 178.31 177.28 1iku h GLN 50 N 0.27 0.42 -0.61 1.11 5.75 -1.45 0.20 115.11 120.80 1iku h GLN 50 Ca 0.13 -0.03 -0.09 0.00 -0.15 0.00 0.00 58.65 58.52 1iku h GLN 50 Cb 0.07 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.51 1iku h GLN 50 CO -0.11 0.28 0.04 1.15 -2.65 0.00 0.00 178.83 177.53 1iku h THR 51 N 0.43 1.26 -0.24 2.39 2.02 -1.35 -1.02 112.91 116.40 1iku h THR 51 Ca 0.51 -1.09 -0.03 0.00 0.77 0.00 0.00 66.41 66.57 1iku h THR 51 Cb 1.25 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 68.43 1iku h THR 51 CO -0.22 0.40 0.05 0.40 0.37 0.00 0.00 175.52 176.52 1iku h ILE 52 N 0.94 1.22 -0.65 3.11 2.04 -0.37 -1.17 117.51 122.64 1iku h ILE 52 Ca 0.18 -0.73 -0.05 0.00 1.00 0.00 0.00 64.86 65.25 1iku h ILE 52 Cb 0.51 1.24 -0.03 0.00 -0.74 0.00 0.00 36.82 37.80 1iku h ILE 52 CO 0.02 0.23 0.19 0.22 0.00 0.00 0.00 178.15 178.82 1iku h TYR 53 N 0.21 1.03 0.00 1.37 3.20 -1.22 0.13 116.97 121.68 1iku h TYR 53 Ca 0.07 -0.09 -0.04 0.00 3.14 0.00 0.00 58.73 61.81 1iku h TYR 53 Cb 0.30 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.27 1iku h TYR 53 CO 0.02 0.82 -0.17 0.77 -1.64 0.00 0.00 178.16 177.96 1iku h SER 54 N 0.96 0.00 0.05 -2.11 0.02 -1.03 -1.36 113.55 110.08 1iku h SER 54 Ca 0.21 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.91 1iku h SER 54 Cb 0.29 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 1iku h SER 54 CO -0.01 0.17 -1.34 0.50 -1.14 0.00 0.00 176.83 175.01 1iku h LYS 55 N 0.00 0.10 0.00 3.45 3.11 -0.54 -3.18 116.57 119.51 1iku h LYS 55 Ca -0.00 -0.17 -0.05 0.00 -2.81 0.00 0.00 60.65 57.63 1iku h LYS 55 Cb 0.75 0.06 -0.01 0.00 -1.00 0.00 0.00 32.23 32.04 1iku h LYS 55 CO 0.02 1.08 -0.22 0.74 -2.81 0.00 0.00 179.45 178.26 1iku h PHE 56 N -0.67 0.00 -2.36 1.91 -1.00 -0.82 -3.36 116.94 110.64 1iku h PHE 56 Ca -0.33 0.00 -0.59 0.00 2.81 0.00 0.00 57.97 59.86 1iku h PHE 56 Cb 1.51 0.00 -0.38 0.00 3.61 0.00 0.00 35.95 40.69 1iku h PHE 56 CO 0.11 0.22 -0.97 1.19 -1.61 0.00 0.00 178.31 177.25 1iku n PHE 57 N -3.42 -0.73 0.05 -0.55 3.72 -0.51 -3.84 117.46 112.17 1iku n PHE 57 Ca -0.00 -3.36 -0.02 0.00 -0.05 0.00 0.00 57.45 54.02 1iku n PHE 57 Cb 0.41 0.19 -0.01 0.00 -0.94 0.00 0.00 39.48 39.13 1iku n PHE 57 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1iku h PRO 58 N 5.50 -0.14 -1.56 -1.08 0.14 -1.70 -3.16 132.00 130.00 1iku h PRO 58 Ca 0.25 0.01 0.46 0.00 0.14 0.00 0.00 66.00 66.86 1iku h PRO 58 Cb 0.90 0.03 -0.07 0.00 0.14 0.00 0.00 31.00 32.00 1iku h PRO 58 CO 0.39 -0.09 1.11 0.93 0.14 0.00 0.00 178.00 180.48 1iku h GLU 59 N -0.20 0.03 -7.15 0.86 5.08 -1.94 -3.40 114.58 107.86 1iku h GLU 59 Ca -0.01 -0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.84 1iku h GLU 59 Cb 0.11 -0.01 0.09 0.00 0.50 0.00 0.00 28.75 29.45 1iku h GLU 59 CO 0.02 0.02 0.40 0.00 -1.00 0.00 0.00 179.01 178.45 1iku s ALA 60 N -4.97 2.56 0.63 3.43 0.00 -1.19 -5.00 121.76 117.21 1iku s ALA 60 Ca -0.05 0.67 -0.14 0.00 0.00 0.00 0.00 51.96 52.43 1iku s ALA 60 Cb 0.26 -3.34 -0.02 0.00 0.00 0.00 0.00 23.12 20.02 1iku s ALA 60 CO 0.85 -1.08 1.06 -0.51 0.00 0.00 0.00 175.76 176.08 1iku s ASP 61 N -2.24 5.60 0.00 0.00 1.11 -1.26 -4.86 116.67 115.01 1iku s ASP 61 Ca 0.69 1.78 0.00 0.00 0.18 0.00 0.00 52.55 55.20 1iku s ASP 61 Cb -0.22 -2.52 0.00 0.00 1.07 0.00 0.00 42.92 41.24 1iku s ASP 61 CO 0.36 -1.29 0.74 -0.81 1.18 0.00 0.00 175.17 175.35 1iku n PRO 62 N -2.37 0.00 -2.74 8.23 -0.04 -1.26 -3.22 135.00 133.60 1iku n PRO 62 Ca 0.09 0.25 -0.08 0.00 -0.04 0.00 0.00 63.50 63.71 1iku n PRO 62 Cb 0.53 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.55 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 -1.24 0.82 0.00 0.54 2.85 -1.26 -4.91 118.16 114.95 1iku n LYS 63 Ca 0.00 -1.73 0.00 0.00 -1.05 0.00 0.00 58.31 55.53 1iku n LYS 63 Cb 0.00 -1.26 0.00 0.00 -0.65 0.00 0.00 35.03 33.12 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 1.22 0.00 -0.03 0.58 0.00 -1.20 -4.68 120.51 116.41 1iku n ALA 64 Ca 0.07 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.50 1iku n ALA 64 Cb 0.66 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.10 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 0.38 0.13 0.00 9.36 -1.26 -4.09 117.16 121.68 1iku n TYR 65 Ca 0.00 0.17 0.03 0.00 3.32 0.00 0.00 57.90 61.42 1iku n TYR 65 Cb 0.00 -0.46 0.17 0.00 -0.63 0.00 0.00 39.34 38.42 1iku n TYR 65 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1iku n ALA 66 N -2.84 0.38 -0.30 2.98 0.00 -1.26 -1.31 120.51 118.16 1iku n ALA 66 Ca -0.03 0.06 0.10 0.00 0.00 0.00 0.00 53.44 53.56 1iku n ALA 66 Cb 0.11 -0.46 0.26 0.00 0.00 0.00 0.00 19.45 19.36 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 0.50 0.00 0.00 5.75 -1.83 0.22 115.11 119.75 1iku h GLN 67 Ca 0.00 -0.03 -0.13 0.00 -0.15 0.00 0.00 58.65 58.34 1iku h GLN 67 Cb 0.87 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 29.29 1iku h GLN 67 CO 0.00 0.33 -0.62 1.25 -2.65 0.00 0.00 178.83 177.14 1iku h HIS 68 N 0.52 0.00 0.37 3.99 2.76 -1.46 -2.65 115.15 118.68 1iku h HIS 68 Ca 0.50 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.65 1iku h HIS 68 Cb 0.83 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.79 1iku h HIS 68 CO -0.11 0.62 -0.18 0.28 -1.30 0.00 0.00 177.93 177.24 1iku h VAL 69 N 0.00 0.00 -0.05 5.26 2.07 -0.75 -1.86 116.25 120.93 1iku h VAL 69 Ca -0.01 -0.12 0.03 0.00 0.82 0.00 0.00 66.70 67.43 1iku h VAL 69 Cb 1.20 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 1iku h VAL 69 CO 0.08 0.00 -0.14 0.15 0.02 0.00 0.00 177.57 177.68 1iku h PHE 70 N -0.62 -0.36 -0.74 1.57 3.57 -1.43 0.21 116.94 119.16 1iku h PHE 70 Ca -0.05 0.02 0.20 0.00 3.53 0.00 0.00 57.97 61.66 1iku h PHE 70 Cb 0.38 0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.26 1iku h PHE 70 CO 0.09 -0.21 0.52 -0.09 -2.23 0.00 0.00 178.31 176.39 1iku h ARG 71 N -0.21 0.08 0.00 1.11 2.43 -1.56 0.28 114.38 116.51 1iku h ARG 71 Ca 0.06 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1iku h ARG 71 Cb 0.30 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 1iku h ARG 71 CO -0.17 0.05 -0.64 0.43 -1.51 0.00 0.00 179.97 178.13 1iku n SER 72 N -4.36 0.58 0.06 -3.80 7.64 -0.54 -4.30 113.62 108.92 1iku n SER 72 Ca 0.15 -0.20 -0.07 0.00 1.01 0.00 0.00 58.87 59.76 1iku n SER 72 Cb 0.75 0.35 -0.05 0.00 -1.01 0.00 0.00 64.21 64.26 1iku n SER 72 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 1iku h PHE 73 N 0.00 -0.24 -2.31 1.43 3.57 0.15 -3.41 116.94 116.13 1iku h PHE 73 Ca 0.00 -0.01 0.25 0.00 3.53 0.00 0.00 57.97 61.74 1iku h PHE 73 Cb 0.59 0.08 -0.11 0.00 2.79 0.00 0.00 35.95 39.30 1iku h PHE 73 CO 0.00 0.04 -0.70 -0.25 -2.23 0.00 0.00 178.31 175.17 1iku n ASP 74 N -4.94 -5.66 -4.98 0.41 8.00 -1.11 -4.94 116.55 103.32 1iku n ASP 74 Ca -0.06 0.80 -0.19 0.00 0.71 0.00 0.00 54.79 56.06 1iku n ASP 74 Cb 0.20 -3.23 -0.00 0.00 -0.02 0.00 0.00 41.12 38.06 1iku n ASP 74 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1iku s ALA 75 N -3.21 4.29 0.00 2.24 0.00 -1.26 -4.83 121.76 118.98 1iku s ALA 75 Ca 0.00 -1.57 0.00 0.00 0.00 0.00 0.00 51.96 50.39 1iku s ALA 75 Cb 0.00 -1.58 0.00 0.00 0.00 0.00 0.00 23.12 21.54 1iku s ALA 75 CO 0.00 -0.12 0.00 0.09 0.00 0.00 0.00 175.76 175.73 1iku n ASN 76 N -1.68 0.00 0.00 0.00 5.03 -1.22 -4.98 115.26 112.40 1iku n ASN 76 Ca 0.03 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.48 1iku n ASN 76 Cb 0.59 -0.10 0.00 0.00 -1.02 0.00 0.00 39.78 39.25 1iku n ASN 76 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 1iku n SER 77 N -1.68 0.00 0.00 6.41 2.88 -1.26 -4.98 113.62 114.98 1iku n SER 77 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1iku n SER 77 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1iku n SER 77 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1iku n ASP 78 N 0.00 0.00 -3.50 -3.46 2.03 -1.26 -4.88 116.55 105.47 1iku n ASP 78 Ca 0.00 0.00 -0.35 0.00 0.52 0.00 0.00 54.79 54.96 1iku n ASP 78 Cb 0.00 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.39 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 4.42 5.57 3.41 0.27 0.00 -1.26 -4.83 105.19 112.78 1iku n GLY 79 Ca 0.00 -2.69 -0.11 0.00 0.00 0.00 0.00 46.02 43.23 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 -3.71 0.00 0.00 2.61 -4.23 -1.26 -4.46 115.64 104.59 1iku s THR 80 Ca 0.40 -1.68 -0.26 0.00 -1.18 0.00 0.00 61.69 58.97 1iku s THR 80 Cb 0.17 -2.35 0.06 0.00 1.34 0.00 0.00 72.50 71.73 1iku s THR 80 CO -0.06 0.00 0.59 -1.48 -0.54 0.00 0.00 174.62 173.13 1iku s LEU 81 N -3.09 -0.34 0.43 4.79 0.05 -0.41 -3.45 118.68 116.66 1iku s LEU 81 Ca 0.30 0.43 -0.24 0.00 0.05 0.00 0.00 54.13 54.67 1iku s LEU 81 Cb 0.03 2.31 -0.08 0.00 -2.05 0.00 0.00 46.19 46.40 1iku s LEU 81 CO 0.11 -0.66 1.21 -1.81 -0.55 0.00 0.00 176.35 174.64 1iku s ASP 82 N -1.58 6.30 -0.18 1.48 1.11 -1.26 -1.18 116.67 121.35 1iku s ASP 82 Ca -0.08 2.42 -0.15 0.00 0.18 0.00 0.00 52.55 54.91 1iku s ASP 82 Cb -0.01 -2.62 -0.11 0.00 1.07 0.00 0.00 42.92 41.26 1iku s ASP 82 CO 0.04 -0.84 -0.04 0.33 1.18 0.00 0.00 175.17 175.84 1iku n PHE 83 N -0.15 0.86 -0.32 4.23 7.35 -0.90 -3.83 117.46 124.69 1iku n PHE 83 Ca 0.05 0.37 0.16 0.00 -0.76 0.00 0.00 57.45 57.27 1iku n PHE 83 Cb 0.46 -0.91 0.32 0.00 0.35 0.00 0.00 39.48 39.70 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 0.08 -0.33 -4.13 1.57 -1.94 1.00 116.57 111.82 1iku h LYS 84 Ca -0.19 -0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.50 1iku h LYS 84 Cb 0.95 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.22 1iku h LYS 84 CO -0.12 0.05 -0.13 0.93 -0.57 0.00 0.00 179.45 179.62 1iku h GLU 85 N 0.08 0.58 -0.45 3.15 5.08 -1.97 -2.01 114.58 119.04 1iku h GLU 85 Ca 0.60 -0.18 -0.13 0.00 -1.00 0.00 0.00 59.36 58.65 1iku h GLU 85 Cb 1.29 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 1iku h GLU 85 CO -0.80 0.70 -0.25 -0.92 -1.00 0.00 0.00 179.01 176.74 1iku h TYR 86 N 0.53 1.10 -0.19 4.33 3.20 0.83 -2.27 116.97 124.51 1iku h TYR 86 Ca 0.09 -0.28 -0.02 0.00 3.14 0.00 0.00 58.73 61.67 1iku h TYR 86 Cb 0.54 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.55 1iku h TYR 86 CO 0.02 1.09 0.05 0.28 -1.64 0.00 0.00 178.16 177.96 1iku h VAL 87 N 0.81 1.20 0.84 1.81 2.07 -0.67 -2.36 116.25 119.94 1iku h VAL 87 Ca 0.10 -0.62 -0.04 0.00 0.82 0.00 0.00 66.70 66.96 1iku h VAL 87 Cb 0.82 1.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.85 1iku h VAL 87 CO 0.07 0.19 -0.44 0.40 0.02 0.00 0.00 177.57 177.82 1iku h ILE 88 N 0.12 0.00 -1.41 4.57 2.04 -1.34 0.14 117.51 121.63 1iku h ILE 88 Ca 0.06 0.00 0.41 0.00 1.00 0.00 0.00 64.86 66.33 1iku h ILE 88 Cb 0.25 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.27 1iku h ILE 88 CO -0.00 0.00 1.00 0.00 0.00 0.00 0.00 178.15 179.15 1iku h ALA 89 N -1.38 3.26 0.00 1.87 0.00 -1.44 0.25 119.26 121.82 1iku h ALA 89 Ca -0.11 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1iku h ALA 89 Cb 0.91 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1iku h ALA 89 CO 0.17 -1.68 -0.00 -0.07 0.00 0.00 0.00 179.25 177.66 1iku h LEU 90 N 0.03 -0.00 -0.08 0.00 3.38 -0.76 -3.31 115.31 114.57 1iku h LEU 90 Ca 0.69 -0.82 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1iku h LEU 90 Cb 2.66 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 43.41 1iku h LEU 90 CO -0.05 0.82 0.05 0.45 0.09 0.00 0.00 178.44 179.80 1iku h HIS 91 N -0.83 0.11 0.00 1.13 3.86 0.21 -3.35 115.15 116.28 1iku h HIS 91 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1iku h HIS 91 Cb 0.82 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.25 1iku h HIS 91 CO 0.22 0.09 0.00 -1.33 0.86 0.00 0.00 177.93 177.77 1iku n MET 92 N -5.02 0.00 -1.54 2.45 2.81 0.38 -3.90 117.12 112.30 1iku n MET 92 Ca -0.05 0.08 -0.30 0.00 -1.81 0.00 0.00 57.70 55.62 1iku n MET 92 Cb 0.04 -0.62 -0.08 0.00 -0.71 0.00 0.00 33.22 31.85 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 -0.21 -0.05 -3.57 2.03 5.66 -1.24 -4.81 114.28 112.09 1iku n THR 93 Ca 0.00 -0.58 -0.09 0.00 -3.05 0.00 0.00 64.05 60.34 1iku n THR 93 Cb 0.00 -2.01 -0.02 0.00 -1.55 0.00 0.00 70.33 66.75 1iku n THR 93 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1iku s SER 94 N 10.47 -0.39 0.06 1.09 1.04 -1.25 -4.90 113.70 119.83 1iku s SER 94 Ca 1.06 -0.16 -0.18 0.00 0.48 0.00 0.00 55.95 57.15 1iku s SER 94 Cb -0.40 0.53 -0.06 0.00 0.10 0.00 0.00 66.02 66.18 1iku s SER 94 CO 0.28 -0.89 0.54 0.00 0.98 0.00 0.00 173.24 174.14 1iku s ALA 95 N -3.48 3.61 0.00 5.32 0.00 -1.26 -5.00 121.76 120.95 1iku s ALA 95 Ca 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 51.96 51.99 1iku s ALA 95 Cb -0.02 -2.58 0.00 0.00 0.00 0.00 0.00 23.12 20.52 1iku s ALA 95 CO -0.06 0.42 0.00 0.41 0.00 0.00 0.00 175.76 176.53 1iku n GLY 96 N 1.67 3.06 3.43 0.00 0.00 -1.26 -4.52 105.19 107.56 1iku n GLY 96 Ca -0.11 -1.57 -0.35 0.00 0.00 0.00 0.00 46.02 43.99 1iku n GLY 96 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1iku n LYS 97 N -1.77 0.10 -0.03 1.61 3.00 -1.26 -4.94 118.16 114.87 1iku n LYS 97 Ca 0.00 0.08 -0.08 0.00 -0.00 0.00 0.00 58.31 58.31 1iku n LYS 97 Cb 0.00 -1.79 -0.07 0.00 0.00 0.00 0.00 35.03 33.17 1iku n LYS 97 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 1iku h THR 98 N -0.76 0.86 0.00 3.15 2.02 -1.99 -3.22 112.91 112.96 1iku h THR 98 Ca -0.45 -1.54 0.00 0.00 0.77 0.00 0.00 66.41 65.20 1iku h THR 98 Cb 1.33 1.58 0.00 0.00 -1.74 0.00 0.00 68.15 69.32 1iku h THR 98 CO 0.39 0.28 0.23 -0.46 0.37 0.00 0.00 175.52 176.33 1iku n ASN 99 N -4.75 0.00 -0.01 4.18 0.23 -1.26 0.43 115.26 114.08 1iku n ASN 99 Ca -0.05 0.25 -0.07 0.00 -0.53 0.00 0.00 54.58 54.18 1iku n ASN 99 Cb 0.24 -0.25 -0.13 0.00 -2.08 0.00 0.00 39.78 37.56 1iku n ASN 99 CO 0.00 0.00 0.00 -0.61 -0.93 0.00 0.00 177.26 175.72 1iku h GLN 100 N 0.00 0.00 0.17 -3.83 4.15 -1.92 -3.28 115.11 110.40 1iku h GLN 100 Ca 0.00 0.00 -0.32 0.00 0.77 0.00 0.00 58.65 59.10 1iku h GLN 100 Cb 0.46 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.16 1iku h GLN 100 CO 0.00 0.47 -1.55 0.87 -1.93 0.00 0.00 178.83 176.68 1iku h LYS 101 N 0.00 0.36 0.68 1.69 1.57 -0.11 -3.30 116.57 117.46 1iku h LYS 101 Ca -0.26 -0.62 -0.03 0.00 -1.87 0.00 0.00 60.65 57.87 1iku h LYS 101 Cb 1.93 0.23 0.01 0.00 0.08 0.00 0.00 32.23 34.48 1iku h LYS 101 CO 0.07 1.27 -0.32 -0.07 -0.57 0.00 0.00 179.45 179.82 1iku h LEU 102 N 0.10 -0.77 -1.75 2.94 3.38 -1.67 -2.27 115.31 115.26 1iku h LEU 102 Ca -0.26 0.03 0.41 0.00 0.09 0.00 0.00 57.88 58.14 1iku h LEU 102 Cb 2.07 0.20 -0.08 0.00 0.09 0.00 0.00 40.66 42.94 1iku h LEU 102 CO 0.20 -0.42 0.95 -0.08 0.09 0.00 0.00 178.44 179.19 1iku h GLU 103 N -1.18 0.08 -0.19 1.13 4.81 -1.74 0.83 114.58 118.33 1iku h GLU 103 Ca -0.09 -0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.01 1iku h GLU 103 Cb 0.70 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.06 1iku h GLU 103 CO 0.15 0.05 -0.36 2.35 -0.73 0.00 0.00 179.01 180.48 1iku h TRP 104 N 0.09 0.72 0.01 0.92 7.01 -1.59 -0.69 115.95 122.41 1iku h TRP 104 Ca 0.72 -0.26 -0.00 0.00 2.11 0.00 0.00 58.89 61.46 1iku h TRP 104 Cb 2.56 -0.13 0.00 0.00 -2.10 0.00 0.00 29.16 29.49 1iku h TRP 104 CO -0.00 1.00 -0.00 0.00 -2.79 0.00 0.00 178.44 176.64 1iku h ALA 105 N 0.59 -0.01 -0.65 2.65 0.00 0.11 0.16 119.26 122.11 1iku h ALA 105 Ca 0.01 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 54.81 1iku h ALA 105 Cb 0.95 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 1iku h ALA 105 CO 0.08 -0.32 0.43 0.35 0.00 0.00 0.00 179.25 179.79 1iku h PHE 106 N -0.38 0.62 -0.06 0.00 3.04 -0.67 -1.81 116.94 117.67 1iku h PHE 106 Ca -0.00 0.02 -0.06 0.00 3.98 0.00 0.00 57.97 61.90 1iku h PHE 106 Cb 0.37 -0.20 0.00 0.00 2.56 0.00 0.00 35.95 38.68 1iku h PHE 106 CO 0.05 0.31 -0.21 0.77 -2.02 0.00 0.00 178.31 177.22 1iku h SER 107 N 0.60 0.29 -1.35 0.41 0.02 -0.87 0.47 113.55 113.12 1iku h SER 107 Ca 0.29 -0.62 0.39 0.00 -0.84 0.00 0.00 61.79 61.01 1iku h SER 107 Cb 0.36 -0.09 -0.07 0.00 0.14 0.00 0.00 62.40 62.75 1iku h SER 107 CO -0.09 0.86 0.95 0.25 -1.14 0.00 0.00 176.83 177.66 1iku h LEU 108 N -0.26 0.09 0.04 5.07 5.85 0.18 0.22 115.31 126.49 1iku h LEU 108 Ca -0.01 0.03 -0.35 0.00 0.84 0.00 0.00 57.88 58.39 1iku h LEU 108 Cb 0.84 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.84 1iku h LEU 108 CO 0.04 -0.01 -2.08 -1.22 -0.34 0.00 0.00 178.44 174.83 1iku n TYR 109 N -4.25 0.68 -1.54 1.25 4.01 -1.01 -4.61 117.16 111.70 1iku n TYR 109 Ca 0.31 0.19 -0.13 0.00 -0.16 0.00 0.00 57.90 58.10 1iku n TYR 109 Cb 1.38 -1.11 -0.10 0.00 -0.31 0.00 0.00 39.34 39.21 1iku n TYR 109 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1iku n ASP 110 N -3.15 1.26 -0.03 7.72 2.03 0.77 -4.69 116.55 120.45 1iku n ASP 110 Ca -0.30 -1.87 -0.14 0.00 0.52 0.00 0.00 54.79 53.00 1iku n ASP 110 Cb 1.06 -1.59 -0.09 0.00 -0.72 0.00 0.00 41.12 39.78 1iku n ASP 110 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1iku h VAL 111 N 7.20 1.42 0.00 5.18 -1.51 -1.84 -3.45 116.25 123.25 1iku h VAL 111 Ca 0.00 -1.45 0.00 0.00 -1.23 0.00 0.00 66.70 64.02 1iku h VAL 111 Cb 1.01 2.23 0.00 0.00 -2.13 0.00 0.00 31.29 32.40 1iku h VAL 111 CO 1.03 0.40 0.00 -0.90 -1.23 0.00 0.00 177.57 176.88 1iku n ASP 112 N -4.63 0.00 0.22 4.19 5.75 -1.26 -4.94 116.55 115.88 1iku n ASP 112 Ca -0.08 0.00 0.09 0.00 -0.01 0.00 0.00 54.79 54.79 1iku n ASP 112 Cb 0.37 0.00 0.47 0.00 -1.03 0.00 0.00 41.12 40.94 1iku n ASP 112 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1iku h GLY 113 N 0.00 0.00 -0.61 6.12 0.00 -2.00 -3.19 103.07 103.38 1iku h GLY 113 Ca 0.00 0.00 0.21 0.00 0.00 0.00 0.00 47.33 47.54 1iku h GLY 113 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 176.54 179.97 1iku h ASN 114 N 0.00 -0.42 -2.61 0.19 4.21 -1.96 -3.42 115.58 111.57 1iku h ASN 114 Ca -0.00 0.23 -0.07 0.00 1.21 0.00 0.00 56.30 57.67 1iku h ASN 114 Cb 0.70 0.41 -0.02 0.00 -1.12 0.00 0.00 38.32 38.29 1iku h ASN 114 CO 0.03 -0.25 -0.07 0.61 -1.29 0.00 0.00 177.43 176.47 1iku n GLY 115 N -1.46 0.10 3.34 2.83 0.00 -1.21 -4.81 105.19 103.98 1iku n GLY 115 Ca 0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 1iku n GLY 115 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1iku s THR 116 N -1.53 0.02 0.02 2.61 -4.23 -1.26 -3.98 115.64 107.30 1iku s THR 116 Ca 0.00 -1.70 0.00 0.00 -1.18 0.00 0.00 61.69 58.82 1iku s THR 116 Cb 0.00 -2.23 -0.02 0.00 1.34 0.00 0.00 72.50 71.59 1iku s THR 116 CO 0.00 -0.11 -0.04 -0.51 -0.54 0.00 0.00 174.62 173.43 1iku s ILE 117 N -4.07 0.18 0.42 2.99 2.07 -0.89 -4.72 121.20 117.19 1iku s ILE 117 Ca 0.28 -0.87 0.08 0.00 -1.41 0.00 0.00 60.65 58.73 1iku s ILE 117 Cb 0.04 -0.31 -0.01 0.00 0.13 0.00 0.00 42.46 42.32 1iku s ILE 117 CO 0.08 -0.44 0.44 -0.44 -1.91 0.00 0.00 174.94 172.67 1iku s SER 118 N -1.36 5.22 0.16 4.50 0.01 -1.26 -1.77 113.70 119.20 1iku s SER 118 Ca -0.14 -0.66 -0.13 0.00 1.31 0.00 0.00 55.95 56.33 1iku s SER 118 Cb -0.09 -0.56 0.06 0.00 0.21 0.00 0.00 66.02 65.63 1iku s SER 118 CO -0.01 -0.71 1.72 0.07 0.41 0.00 0.00 173.24 174.73 1iku h LYS 119 N 0.89 0.81 -1.03 12.44 2.10 -1.89 -2.30 116.57 127.60 1iku h LYS 119 Ca -0.41 -0.14 0.27 0.00 -2.00 0.00 0.00 60.65 58.37 1iku h LYS 119 Cb 1.27 -0.14 -0.12 0.00 -0.90 0.00 0.00 32.23 32.35 1iku h LYS 119 CO 0.53 0.70 0.63 -2.95 -2.00 0.00 0.00 179.45 176.36 1iku h ASN 120 N 0.75 0.57 -0.34 7.07 7.08 -1.97 0.47 115.58 129.20 1iku h ASN 120 Ca 0.18 0.12 -0.11 0.00 -3.08 0.00 0.00 56.30 53.42 1iku h ASN 120 Cb 0.18 0.03 -0.01 0.00 -2.08 0.00 0.00 38.32 36.45 1iku h ASN 120 CO -0.02 0.07 -0.20 -0.33 -2.08 0.00 0.00 177.43 174.88 1iku h GLU 121 N 0.48 0.74 -0.86 4.14 4.39 -1.82 -2.44 114.58 119.21 1iku h GLU 121 Ca 0.64 -0.34 0.03 0.00 0.34 0.00 0.00 59.36 60.03 1iku h GLU 121 Cb 1.41 -0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 29.99 1iku h GLU 121 CO -0.42 0.95 0.56 0.28 -1.16 0.00 0.00 179.01 179.22 1iku h VAL 122 N 0.52 1.16 -0.57 3.13 2.07 0.05 -1.55 116.25 121.07 1iku h VAL 122 Ca 0.07 -0.38 0.04 0.00 0.82 0.00 0.00 66.70 67.25 1iku h VAL 122 Cb 0.75 -0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 30.43 1iku h VAL 122 CO 0.06 0.20 0.32 0.25 0.02 0.00 0.00 177.57 178.42 1iku h LEU 123 N 1.10 0.49 0.02 2.57 5.85 -0.69 -0.54 115.31 124.12 1iku h LEU 123 Ca 0.34 0.02 0.01 0.00 0.84 0.00 0.00 57.88 59.09 1iku h LEU 123 Cb -0.03 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 1iku h LEU 123 CO -0.10 0.34 -0.09 -0.33 -0.34 0.00 0.00 178.44 177.92 1iku h GLU 124 N 0.62 -0.16 -0.65 1.25 5.08 -0.82 0.30 114.58 120.19 1iku h GLU 124 Ca 0.24 0.01 0.11 0.00 -1.00 0.00 0.00 59.36 58.72 1iku h GLU 124 Cb 0.10 0.04 -0.08 0.00 0.50 0.00 0.00 28.75 29.31 1iku h GLU 124 CO -0.14 -0.11 0.25 0.82 -1.00 0.00 0.00 179.01 178.84 1iku h ILE 125 N -0.17 0.75 -0.66 3.13 2.04 -0.84 0.26 117.51 122.02 1iku h ILE 125 Ca 0.03 -0.15 -0.04 0.00 1.00 0.00 0.00 64.86 65.70 1iku h ILE 125 Cb 0.19 0.28 -0.03 0.00 -0.74 0.00 0.00 36.82 36.52 1iku h ILE 125 CO -0.07 0.08 0.26 0.58 0.00 0.00 0.00 178.15 178.99 1iku h VAL 126 N 0.43 1.23 -0.35 1.67 2.07 -0.34 -1.98 116.25 118.98 1iku h VAL 126 Ca 0.34 -0.73 -0.09 0.00 0.82 0.00 0.00 66.70 67.03 1iku h VAL 126 Cb 0.44 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 1iku h VAL 126 CO -0.33 0.29 -0.17 0.74 0.02 0.00 0.00 177.57 178.13 1iku h THR 127 N 0.95 1.26 0.11 2.57 2.02 0.21 0.15 112.91 120.18 1iku h THR 127 Ca 0.22 -1.19 -0.01 0.00 0.77 0.00 0.00 66.41 66.20 1iku h THR 127 Cb 0.19 1.17 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 1iku h THR 127 CO -0.02 0.40 -0.05 0.00 0.37 0.00 0.00 175.52 176.22 1iku h ALA 128 N 1.24 -0.14 -0.25 6.16 0.00 0.10 0.96 119.26 127.33 1iku h ALA 128 Ca 0.09 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 1iku h ALA 128 Cb 0.61 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1iku h ALA 128 CO 0.04 -0.56 -0.15 0.82 0.00 0.00 0.00 179.25 179.40 1iku h ILE 129 N -0.17 1.31 -0.01 0.00 2.04 -1.25 -2.54 117.51 116.89 1iku h ILE 129 Ca -0.01 -1.25 0.03 0.00 1.00 0.00 0.00 64.86 64.62 1iku h ILE 129 Cb 0.13 1.58 -0.03 0.00 -0.74 0.00 0.00 36.82 37.76 1iku h ILE 129 CO 0.02 0.39 -0.17 0.15 0.00 0.00 0.00 178.15 178.55 1iku h PHE 130 N 0.26 -0.44 -0.88 1.37 3.04 -0.57 0.18 116.94 119.90 1iku h PHE 130 Ca 0.05 0.02 0.21 0.00 3.98 0.00 0.00 57.97 62.23 1iku h PHE 130 Cb 0.67 0.20 -0.06 0.00 2.56 0.00 0.00 35.95 39.31 1iku h PHE 130 CO 0.07 -0.24 0.59 -0.22 -2.02 0.00 0.00 178.31 176.49 1iku h LYS 131 N -0.27 0.30 -0.33 1.11 3.64 -0.79 1.04 116.57 121.27 1iku h LYS 131 Ca 0.06 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 1iku h LYS 131 Cb 0.34 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 1iku h LYS 131 CO -0.17 0.20 0.11 1.98 -2.27 0.00 0.00 179.45 179.30 1iku h MET 132 N 0.31 0.47 -6.07 1.90 4.05 -0.23 -3.41 114.93 111.95 1iku h MET 132 Ca 0.45 -0.06 -0.56 0.00 -0.28 0.00 0.00 59.70 59.25 1iku h MET 132 Cb 1.26 -0.09 -0.05 0.00 -0.80 0.00 0.00 31.60 31.92 1iku h MET 132 CO -0.14 0.42 0.26 0.42 0.23 0.00 0.00 176.91 178.10 1iku s ILE 133 N -5.19 4.95 0.70 1.77 1.01 0.36 -4.73 121.20 120.06 1iku s ILE 133 Ca -0.08 1.64 -0.11 0.00 0.00 0.00 0.00 60.65 62.11 1iku s ILE 133 Cb 0.16 -4.13 0.01 0.00 0.01 0.00 0.00 42.46 38.51 1iku s ILE 133 CO 0.74 0.14 1.07 -0.44 0.00 0.00 0.00 174.94 176.45 1iku s SER 134 N 0.98 5.43 0.39 3.58 0.01 -1.26 -4.86 113.70 117.96 1iku s SER 134 Ca 0.41 1.38 0.23 0.00 1.31 0.00 0.00 55.95 59.27 1iku s SER 134 Cb -0.18 -2.25 1.25 0.00 0.21 0.00 0.00 66.02 65.05 1iku s SER 134 CO 0.18 -1.38 1.68 -0.65 0.41 0.00 0.00 173.24 173.47 1iku h PRO 135 N -0.68 0.00 0.00 12.44 0.10 -1.94 -1.65 132.00 140.27 1iku h PRO 135 Ca -0.45 0.00 -0.06 0.00 0.10 0.00 0.00 66.00 65.60 1iku h PRO 135 Cb 1.23 0.00 -0.01 0.00 0.10 0.00 0.00 31.00 32.32 1iku h PRO 135 CO 0.60 0.00 -0.72 0.39 0.10 0.00 0.00 178.00 178.37 1iku n GLU 136 N -2.35 0.48 0.16 1.05 1.02 -1.26 -4.09 120.64 115.65 1iku n GLU 136 Ca -0.02 0.52 0.10 0.00 -0.02 0.00 0.00 57.16 57.74 1iku n GLU 136 Cb 0.13 -1.69 0.51 0.00 -0.02 0.00 0.00 31.44 30.37 1iku n GLU 136 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1iku n ASP 137 N -4.57 0.49 0.34 1.62 2.03 -1.04 -1.04 116.55 114.37 1iku n ASP 137 Ca -0.13 0.70 0.22 0.00 0.52 0.00 0.00 54.79 56.10 1iku n ASP 137 Cb 0.37 -0.74 1.19 0.00 -0.72 0.00 0.00 41.12 41.23 1iku n ASP 137 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1iku h THR 138 N 0.00 0.02 0.00 5.18 1.35 -1.46 -2.21 112.91 115.79 1iku h THR 138 Ca 0.00 -0.02 0.00 0.00 -0.55 0.00 0.00 66.41 65.84 1iku h THR 138 Cb 0.15 1.02 0.00 0.00 -1.73 0.00 0.00 68.15 67.59 1iku h THR 138 CO 0.00 0.00 0.53 0.50 -0.25 0.00 0.00 175.52 176.30 1iku h LYS 139 N 0.00 0.00 0.12 4.72 3.64 -1.33 0.40 116.57 124.13 1iku h LYS 139 Ca -0.00 0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 59.12 1iku h LYS 139 Cb 0.02 0.00 0.03 0.00 -0.41 0.00 0.00 32.23 31.87 1iku h LYS 139 CO 0.00 0.00 -1.10 0.45 -2.27 0.00 0.00 179.45 176.53 1iku h HIS 140 N 0.00 0.87 -3.06 1.91 3.86 -1.66 -3.46 115.15 113.61 1iku h HIS 140 Ca 0.00 -0.56 -0.58 0.00 -1.16 0.00 0.00 60.37 58.07 1iku h HIS 140 Cb 1.07 -0.06 0.17 0.00 1.06 0.00 0.00 27.41 29.64 1iku h HIS 140 CO 0.00 1.41 -0.29 1.28 0.86 0.00 0.00 177.93 181.19 1iku n LEU 141 N -3.91 1.33 -4.15 2.43 4.77 0.14 -4.92 117.00 112.70 1iku n LEU 141 Ca -0.14 0.76 -0.26 0.00 -0.03 0.00 0.00 56.01 56.34 1iku n LEU 141 Cb 0.93 -1.21 0.17 0.00 -2.33 0.00 0.00 43.42 40.97 1iku n LEU 141 CO 0.55 -2.81 -0.27 -2.65 -1.33 0.00 0.00 177.39 170.89 1iku n PRO 142 N -0.22 -2.13 -0.29 3.23 -0.02 -1.26 -4.91 135.00 129.39 1iku n PRO 142 Ca 0.12 -0.62 0.10 0.00 -2.02 0.00 0.00 63.50 61.08 1iku n PRO 142 Cb 0.47 -1.60 0.26 0.00 -0.02 0.00 0.00 33.50 32.61 1iku n PRO 142 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1iku n GLU 143 N -2.12 2.72 0.00 -0.52 1.02 -1.26 -4.58 120.64 115.90 1iku n GLU 143 Ca 0.04 -2.42 0.00 0.00 -0.02 0.00 0.00 57.16 54.76 1iku n GLU 143 Cb 0.50 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 30.46 1iku n GLU 143 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1iku n ASP 144 N 1.26 0.00 -3.20 1.62 2.03 -1.26 -4.89 116.55 112.11 1iku n ASP 144 Ca 0.20 0.59 0.01 0.00 0.52 0.00 0.00 54.79 56.11 1iku n ASP 144 Cb 0.55 -0.48 -0.01 0.00 -0.72 0.00 0.00 41.12 40.46 1iku n ASP 144 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 1iku s GLU 145 N -1.40 0.74 -0.36 -0.67 2.56 -1.26 -5.03 118.70 113.27 1iku s GLU 145 Ca 0.00 -0.07 -0.06 0.00 0.00 0.00 0.00 54.97 54.83 1iku s GLU 145 Cb 0.00 0.09 -0.21 0.00 2.00 0.00 0.00 34.13 36.01 1iku s GLU 145 CO 0.00 -1.15 3.22 0.09 -0.56 0.00 0.00 175.26 176.86 1iku n ASN 146 N 4.69 5.57 -4.46 -1.70 5.03 -1.26 -4.46 115.26 118.67 1iku n ASN 146 Ca 0.09 -2.42 -0.33 0.00 0.87 0.00 0.00 54.58 52.79 1iku n ASN 146 Cb 0.56 -1.34 -0.13 0.00 -1.02 0.00 0.00 39.78 37.85 1iku n ASN 146 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1iku s THR 147 N 1.48 3.30 0.64 3.41 -4.23 -1.26 -4.98 115.64 114.00 1iku s THR 147 Ca 0.62 -0.60 0.29 0.00 -1.18 0.00 0.00 61.69 60.82 1iku s THR 147 Cb 0.26 -2.36 0.33 0.00 1.34 0.00 0.00 72.50 72.07 1iku s THR 147 CO -0.01 0.56 1.93 -0.65 -0.54 0.00 0.00 174.62 175.90 1iku h PRO 148 N 6.00 0.00 0.11 3.99 0.11 -1.94 0.24 132.00 140.51 1iku h PRO 148 Ca -0.37 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 65.44 1iku h PRO 148 Cb 1.18 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1iku h PRO 148 CO 0.54 0.00 -1.53 0.93 -0.21 0.00 0.00 178.00 177.74 1iku h GLU 149 N 0.00 0.23 0.00 1.05 5.08 -1.94 -2.85 114.58 116.15 1iku h GLU 149 Ca 0.07 -0.39 -0.04 0.00 -1.00 0.00 0.00 59.36 58.00 1iku h GLU 149 Cb 0.79 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.18 1iku h GLU 149 CO -0.00 1.08 -0.51 0.87 -1.00 0.00 0.00 179.01 179.45 1iku h LYS 150 N 0.06 0.00 0.02 2.33 1.79 -1.16 -2.46 116.57 117.15 1iku h LYS 150 Ca -0.24 0.00 -0.25 0.00 -2.18 0.00 0.00 60.65 57.98 1iku h LYS 150 Cb 2.01 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 32.68 1iku h LYS 150 CO 0.15 0.12 -0.98 -0.09 -1.08 0.00 0.00 179.45 177.57 1iku h ARG 151 N 0.00 0.63 0.00 3.15 2.43 -0.74 -2.73 114.38 117.12 1iku h ARG 151 Ca -0.02 -0.71 -0.18 0.00 -0.81 0.00 0.00 59.98 58.27 1iku h ARG 151 Cb 1.13 0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 30.86 1iku h ARG 151 CO 0.02 1.29 -0.85 0.00 -1.51 0.00 0.00 179.97 178.92 1iku h ALA 152 N 0.36 0.60 -0.53 2.80 0.00 -1.57 -2.84 119.26 118.08 1iku h ALA 152 Ca -0.13 -0.77 -0.08 0.00 0.00 0.00 0.00 54.91 53.94 1iku h ALA 152 Cb 1.65 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.29 1iku h ALA 152 CO 0.19 1.05 0.04 0.93 0.00 0.00 0.00 179.25 181.46 1iku h GLU 153 N 0.01 0.91 -0.12 0.00 5.08 -1.47 0.74 114.58 119.72 1iku h GLU 153 Ca -0.01 -0.27 -0.01 0.00 -1.00 0.00 0.00 59.36 58.07 1iku h GLU 153 Cb 1.50 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.65 1iku h GLU 153 CO 0.11 0.91 0.03 -0.22 -1.00 0.00 0.00 179.01 178.84 1iku h LYS 154 N 0.79 0.19 -0.76 2.33 3.64 -1.49 0.62 116.57 121.89 1iku h LYS 154 Ca 0.16 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.51 1iku h LYS 154 Cb 0.48 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.23 1iku h LYS 154 CO 0.02 0.35 0.49 0.82 -2.27 0.00 0.00 179.45 178.86 1iku h ILE 155 N -0.01 1.15 -0.01 2.00 2.04 -1.37 0.48 117.51 121.79 1iku h ILE 155 Ca 0.04 -0.34 -0.13 0.00 1.00 0.00 0.00 64.86 65.43 1iku h ILE 155 Cb 0.25 0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.39 1iku h ILE 155 CO 0.00 0.18 -0.60 -0.25 0.00 0.00 0.00 178.15 177.48 1iku h TRP 156 N 0.98 0.05 0.00 1.37 2.91 -0.63 0.78 115.95 121.41 1iku h TRP 156 Ca 0.29 -0.02 -0.09 0.00 1.13 0.00 0.00 58.89 60.20 1iku h TRP 156 Cb -0.06 -0.01 -0.01 0.00 -0.51 0.00 0.00 29.16 28.57 1iku h TRP 156 CO -0.03 0.63 -0.44 0.78 -1.03 0.00 0.00 178.44 178.35 1iku h GLY 157 N 1.75 0.00 0.90 2.65 0.00 0.13 -3.26 103.07 105.24 1iku h GLY 157 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.98 1iku h GLY 157 CO 0.08 0.00 -1.71 0.74 0.00 0.00 0.00 176.54 175.65 1iku h PHE 158 N 0.00 0.71 0.00 5.60 -1.00 0.24 -3.36 116.94 119.13 1iku h PHE 158 Ca -0.00 -0.52 0.00 0.00 2.81 0.00 0.00 57.97 60.26 1iku h PHE 158 Cb 1.19 -0.03 0.00 0.00 3.61 0.00 0.00 35.95 40.72 1iku h PHE 158 CO 0.00 1.67 0.00 1.19 -1.61 0.00 0.00 178.31 179.56 1iku n PHE 159 N -3.63 0.00 0.00 -0.55 3.72 0.24 -4.77 117.46 112.46 1iku n PHE 159 Ca -0.24 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.16 1iku n PHE 159 Cb 1.06 -0.39 0.00 0.00 -0.94 0.00 0.00 39.48 39.21 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 -0.95 0.38 0.00 1.37 0.00 -1.23 -5.07 105.19 99.69 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 -4.53 1.61 5.02 -1.26 -4.95 118.16 114.06 1iku n LYS 161 Ca 0.00 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.00 1iku n LYS 161 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 34.93 1iku n LYS 161 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1iku s LYS 162 N 0.00 2.11 -0.07 1.97 3.01 -1.26 -5.05 119.74 120.45 1iku s LYS 162 Ca 0.00 -2.16 -0.08 0.00 -1.01 0.00 0.00 55.97 52.72 1iku s LYS 162 Cb 0.00 -1.70 -0.03 0.00 -1.01 0.00 0.00 37.83 35.10 1iku s LYS 162 CO 0.00 -0.21 -0.16 -3.47 0.51 0.00 0.00 175.35 172.01 1iku n ASP 163 N -1.18 1.08 -2.86 2.83 -0.08 -1.26 -4.66 116.55 110.42 1iku n ASP 163 Ca -0.09 0.18 -0.30 0.00 -1.51 0.00 0.00 54.79 53.06 1iku n ASP 163 Cb 0.66 -0.54 -0.06 0.00 2.34 0.00 0.00 41.12 43.53 1iku n ASP 163 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1iku n ASP 164 N -3.57 7.17 -4.66 1.67 9.92 -1.26 -4.85 116.55 120.97 1iku n ASP 164 Ca -0.07 -2.91 -0.27 0.00 -0.53 0.00 0.00 54.79 51.01 1iku n ASP 164 Cb 0.24 -1.38 -0.10 0.00 -0.64 0.00 0.00 41.12 39.25 1iku n ASP 164 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1iku s ASP 165 N 1.06 4.04 0.22 -2.24 2.15 -1.26 -5.16 116.67 115.48 1iku s ASP 165 Ca 0.61 -1.30 0.10 0.00 0.43 0.00 0.00 52.55 52.39 1iku s ASP 165 Cb 0.27 -0.39 -0.05 0.00 -0.30 0.00 0.00 42.92 42.46 1iku s ASP 165 CO -0.11 -0.49 -0.18 -0.54 -0.17 0.00 0.00 175.17 173.68 1iku s LYS 166 N -3.77 1.45 -0.13 4.34 3.01 -1.26 -4.58 119.74 118.79 1iku s LYS 166 Ca 0.36 -1.60 -0.00 0.00 -1.01 0.00 0.00 55.97 53.72 1iku s LYS 166 Cb 0.08 -1.44 -0.01 0.00 -1.01 0.00 0.00 37.83 35.44 1iku s LYS 166 CO 0.19 0.27 -0.13 -0.51 0.51 0.00 0.00 175.35 175.68 1iku s LEU 167 N -3.17 2.71 0.62 3.17 1.43 -0.73 -4.91 118.68 117.81 1iku s LEU 167 Ca 0.23 -0.34 -0.03 0.00 -1.03 0.00 0.00 54.13 52.97 1iku s LEU 167 Cb -0.04 -1.61 0.05 0.00 0.03 0.00 0.00 46.19 44.62 1iku s LEU 167 CO 0.10 0.16 0.89 0.42 0.23 0.00 0.00 176.35 178.14 1iku s THR 168 N 0.41 2.49 0.00 5.49 -4.23 -1.26 -2.10 115.64 116.43 1iku s THR 168 Ca -0.10 -0.47 0.00 0.00 -1.18 0.00 0.00 61.69 59.94 1iku s THR 168 Cb -0.16 -3.01 0.00 0.00 1.34 0.00 0.00 72.50 70.67 1iku s THR 168 CO 0.05 -0.01 0.65 -0.62 -0.54 0.00 0.00 174.62 174.15 1iku n GLU 169 N -2.62 0.00 -0.40 3.99 1.02 -1.26 -0.96 120.64 120.42 1iku n GLU 169 Ca 0.08 0.46 -0.11 0.00 -0.02 0.00 0.00 57.16 57.57 1iku n GLU 169 Cb 0.60 -1.15 -0.10 0.00 -0.02 0.00 0.00 31.44 30.77 1iku n GLU 169 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1iku h LYS 170 N 0.00 -0.02 -0.81 3.49 3.64 -1.96 0.57 116.57 121.49 1iku h LYS 170 Ca 0.00 0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.49 1iku h LYS 170 Cb 0.00 0.00 -0.12 0.00 -0.41 0.00 0.00 32.23 31.70 1iku h LYS 170 CO 0.00 -0.01 -0.47 0.93 -2.27 0.00 0.00 179.45 177.63 1iku h GLU 171 N -0.02 -0.10 -0.38 1.90 4.39 -1.92 0.33 114.58 118.78 1iku h GLU 171 Ca 0.15 0.01 0.05 0.00 0.34 0.00 0.00 59.36 59.90 1iku h GLU 171 Cb 0.41 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.04 1iku h GLU 171 CO -0.90 -0.07 0.13 0.35 -1.16 0.00 0.00 179.01 177.36 1iku h PHE 172 N -0.11 0.24 0.00 4.33 3.57 0.81 1.46 116.94 127.25 1iku h PHE 172 Ca 0.22 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.74 1iku h PHE 172 Cb 0.53 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.22 1iku h PHE 172 CO -0.85 0.10 0.00 -0.89 -2.23 0.00 0.00 178.31 174.44 1iku n ILE 173 N -5.01 0.00 0.22 1.41 2.08 0.48 -2.25 119.36 116.29 1iku n ILE 173 Ca 0.02 1.41 0.14 0.00 0.56 0.00 0.00 62.75 64.88 1iku n ILE 173 Cb 0.14 -2.40 0.76 0.00 -0.75 0.00 0.00 39.64 37.38 1iku n ILE 173 CO 0.00 0.00 0.00 -0.08 0.56 0.00 0.00 176.55 177.03 1iku h GLU 174 N 0.00 0.00 -0.42 0.38 4.81 -0.52 -1.04 114.58 117.79 1iku h GLU 174 Ca 0.00 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.11 1iku h GLU 174 Cb 0.00 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1iku h GLU 174 CO 0.00 0.00 -0.22 0.78 -0.73 0.00 0.00 179.01 178.84 1iku h GLY 175 N 0.00 0.92 0.00 1.92 0.00 0.24 -2.25 103.07 103.90 1iku h GLY 175 Ca 0.00 -0.79 -0.13 0.00 0.00 0.00 0.00 47.33 46.41 1iku h GLY 175 CO 0.00 0.72 -0.92 -0.84 0.00 0.00 0.00 176.54 175.50 1iku h THR 176 N 0.74 0.51 -0.85 4.70 2.02 -0.75 -3.36 112.91 115.92 1iku h THR 176 Ca 0.10 -1.66 0.18 0.00 0.77 0.00 0.00 66.41 65.80 1iku h THR 176 Cb 0.75 1.24 -0.06 0.00 -1.74 0.00 0.00 68.15 68.34 1iku h THR 176 CO 0.06 0.17 0.56 0.25 0.37 0.00 0.00 175.52 176.94 1iku h LEU 177 N -1.00 0.41 0.00 2.58 6.46 -1.54 -3.05 115.31 119.17 1iku h LEU 177 Ca -0.20 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.60 1iku h LEU 177 Cb 0.95 -0.04 0.00 0.00 -0.73 0.00 0.00 40.66 40.83 1iku h LEU 177 CO -0.12 0.19 0.00 0.00 -0.62 0.00 0.00 178.44 177.89 1iku n ALA 178 N -2.51 -0.45 -2.02 1.25 0.00 -0.85 -4.75 120.51 111.18 1iku n ALA 178 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.31 1iku n ALA 178 Cb 0.62 0.02 -0.02 0.00 0.00 0.00 0.00 19.45 20.07 1iku n ALA 178 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1iku s ASN 179 N -2.04 6.46 -0.03 0.00 -0.87 -1.15 -4.99 114.94 112.32 1iku s ASN 179 Ca 0.00 1.30 0.13 0.00 -1.57 0.00 0.00 52.86 52.72 1iku s ASN 179 Cb 0.00 -2.40 -0.22 0.00 -0.02 0.00 0.00 41.25 38.61 1iku s ASN 179 CO 0.00 -0.57 0.67 0.29 -2.57 0.00 0.00 177.10 174.92 1iku n LYS 180 N -1.80 0.63 0.05 -0.60 5.02 -1.26 -3.95 118.16 116.25 1iku n LYS 180 Ca 0.04 0.28 -0.03 0.00 -2.02 0.00 0.00 58.31 56.59 1iku n LYS 180 Cb 0.54 -1.79 -0.01 0.00 -0.02 0.00 0.00 35.03 33.75 1iku n LYS 180 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1iku h GLU 181 N 0.00 -0.15 -0.93 1.97 4.39 -1.94 0.87 114.58 118.79 1iku h GLU 181 Ca -0.27 0.01 0.27 0.00 0.34 0.00 0.00 59.36 59.70 1iku h GLU 181 Cb 1.96 0.03 -0.16 0.00 -0.10 0.00 0.00 28.75 30.48 1iku h GLU 181 CO 0.07 -0.10 0.15 0.82 -1.16 0.00 0.00 179.01 178.80 1iku h ILE 182 N -0.16 0.15 0.30 3.13 2.04 -1.88 0.44 117.51 121.53 1iku h ILE 182 Ca -0.01 -0.03 -0.00 0.00 1.00 0.00 0.00 64.86 65.82 1iku h ILE 182 Cb 0.13 0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.25 1iku h ILE 182 CO 0.01 0.02 -0.27 0.25 0.00 0.00 0.00 178.15 178.16 1iku h LEU 183 N 0.09 -0.70 -0.61 1.44 5.85 -1.61 0.70 115.31 120.46 1iku h LEU 183 Ca 0.60 0.06 0.00 0.00 0.84 0.00 0.00 57.88 59.37 1iku h LEU 183 Cb 1.26 0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.53 1iku h LEU 183 CO -0.79 -0.39 0.00 -1.14 -0.34 0.00 0.00 178.44 175.77 1iku n ARG 184 N -5.39 0.06 -0.04 1.25 0.00 0.13 0.12 116.66 112.80 1iku n ARG 184 Ca -0.09 0.56 0.05 0.00 -0.00 0.00 0.00 57.85 58.37 1iku n ARG 184 Cb 0.30 -1.70 -0.17 0.00 0.00 0.00 0.00 32.46 30.89 1iku n ARG 184 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1iku n LEU 185 N -1.82 0.00 -0.07 6.15 4.77 0.32 -4.67 117.00 121.68 1iku n LEU 185 Ca -0.01 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.86 1iku n LEU 185 Cb 0.01 0.14 -0.04 0.00 -2.33 0.00 0.00 43.42 41.21 1iku n LEU 185 CO 0.04 0.14 -0.71 0.00 -1.33 0.00 0.00 177.39 175.53 1iku n ILE 186 N -2.40 1.31 -1.43 -0.08 0.00 0.22 -4.70 119.36 112.28 1iku n ILE 186 Ca -0.12 0.06 -0.41 0.00 0.00 0.00 0.00 62.75 62.28 1iku n ILE 186 Cb 0.74 -2.01 -0.02 0.00 0.00 0.00 0.00 39.64 38.34 1iku n ILE 186 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 176.55 178.22 1iku n GLN 187 N -4.08 2.44 -0.19 9.51 7.27 0.33 -4.91 117.38 127.75 1iku n GLN 187 Ca -0.19 -2.23 -0.26 0.00 0.07 0.00 0.00 57.00 54.39 1iku n GLN 187 Cb 0.50 -3.06 0.25 0.00 2.41 0.00 0.00 30.24 30.35 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 6.15 -3.53 -1.87 3.69 7.35 -1.26 -4.74 117.46 123.24 1iku n PHE 188 Ca 0.53 -0.69 0.00 0.00 -0.76 0.00 0.00 57.45 56.53 1iku n PHE 188 Cb 0.36 -1.07 0.00 0.00 0.35 0.00 0.00 39.48 39.12 1iku n PHE 188 CO 0.00 0.00 0.00 -1.91 -0.76 0.00 0.00 176.76 174.09