#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 1.54 0.46 1.61 0.01 -1.26 -5.01 114.94 112.28 1iku s ASN 3 Ca 0.00 -0.36 0.27 0.00 -0.71 0.00 0.00 52.86 52.05 1iku s ASN 3 Cb 0.00 -0.12 1.31 0.00 0.41 0.00 0.00 41.25 42.84 1iku s ASN 3 CO 0.00 0.07 1.76 0.28 -1.51 0.00 0.00 177.10 177.71 1iku h SER 4 N 5.30 0.26 -0.05 -1.22 0.02 -1.96 -0.62 113.55 115.28 1iku h SER 4 Ca -0.36 0.06 0.04 0.00 -0.84 0.00 0.00 61.79 60.69 1iku h SER 4 Cb 1.18 0.02 -0.06 0.00 0.14 0.00 0.00 62.40 63.68 1iku h SER 4 CO 0.46 0.02 -0.39 0.11 -1.14 0.00 0.00 176.83 175.89 1iku h LYS 5 N 0.22 -0.50 0.00 3.45 1.57 -1.97 0.47 116.57 119.80 1iku h LYS 5 Ca 0.61 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.43 1iku h LYS 5 Cb 1.92 0.11 0.00 0.00 0.08 0.00 0.00 32.23 34.34 1iku h LYS 5 CO -0.21 -0.33 0.27 1.03 -0.57 0.00 0.00 179.45 179.64 1iku h SER 6 N -0.52 0.00 0.46 0.86 0.87 -1.49 0.47 113.55 114.21 1iku h SER 6 Ca 0.06 0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.46 1iku h SER 6 Cb 0.62 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.57 1iku h SER 6 CO -0.33 0.00 -0.69 1.23 -0.53 0.00 0.00 176.83 176.50 1iku h GLY 7 N 0.00 0.22 0.73 5.77 0.00 -0.02 -3.17 103.07 106.60 1iku h GLY 7 Ca 0.00 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.02 1iku h GLY 7 CO 0.00 0.27 -0.07 0.00 0.00 0.00 0.00 176.54 176.74 1iku h ALA 8 N 1.14 -0.21 -1.05 3.60 0.00 0.18 -0.76 119.26 122.18 1iku h ALA 8 Ca -0.02 -0.15 0.28 0.00 0.00 0.00 0.00 54.91 55.02 1iku h ALA 8 Cb 1.23 0.08 -0.08 0.00 0.00 0.00 0.00 17.79 19.02 1iku h ALA 8 CO 0.10 -0.48 0.70 -0.07 0.00 0.00 0.00 179.25 179.51 1iku h LEU 9 N -0.48 0.31 0.13 0.00 3.38 -1.57 -1.16 115.31 115.91 1iku h LEU 9 Ca -0.02 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1iku h LEU 9 Cb 0.37 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1iku h LEU 9 CO 0.03 0.07 -0.06 0.77 0.09 0.00 0.00 178.44 179.34 1iku h SER 10 N 0.28 -0.14 -1.11 -0.43 4.64 -1.45 -2.08 113.55 113.26 1iku h SER 10 Ca 0.57 -0.28 0.35 0.00 -0.47 0.00 0.00 61.79 61.96 1iku h SER 10 Cb 1.66 0.04 -0.14 0.00 -0.31 0.00 0.00 62.40 63.65 1iku h SER 10 CO -0.21 0.44 0.67 0.50 -0.87 0.00 0.00 176.83 177.37 1iku h LYS 11 N -0.98 0.24 0.04 4.77 3.64 -0.24 0.41 116.57 124.46 1iku h LYS 11 Ca -0.02 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1iku h LYS 11 Cb 0.41 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 1iku h LYS 11 CO 0.03 0.16 -0.02 1.49 -2.27 0.00 0.00 179.45 178.84 1iku h GLU 12 N 0.25 -0.05 0.73 1.90 4.81 -1.30 -2.22 114.58 118.69 1iku h GLU 12 Ca 0.74 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.95 1iku h GLU 12 Cb 1.95 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 31.34 1iku h GLU 12 CO -0.51 0.56 -0.47 0.82 -0.73 0.00 0.00 179.01 178.69 1iku h ILE 13 N -0.74 0.06 -0.96 2.32 2.04 -0.03 0.30 117.51 120.49 1iku h ILE 13 Ca -0.01 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.06 1iku h ILE 13 Cb 0.64 0.06 -0.08 0.00 -0.74 0.00 0.00 36.82 36.69 1iku h ILE 13 CO 0.01 0.00 0.62 -0.07 0.00 0.00 0.00 178.15 178.70 1iku h LEU 14 N -1.13 0.56 -0.56 1.44 3.38 -0.46 0.27 115.31 118.81 1iku h LEU 14 Ca -0.09 0.07 -0.16 0.00 0.09 0.00 0.00 57.88 57.78 1iku h LEU 14 Cb 0.92 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 1iku h LEU 14 CO 0.08 0.20 -0.63 -0.33 0.09 0.00 0.00 178.44 177.86 1iku h GLU 15 N 0.55 0.34 -0.22 1.13 4.39 -0.76 -3.18 114.58 116.82 1iku h GLU 15 Ca 0.53 -0.24 -0.20 0.00 0.34 0.00 0.00 59.36 59.78 1iku h GLU 15 Cb 1.10 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.80 1iku h GLU 15 CO -0.27 0.86 -0.65 1.49 -1.16 0.00 0.00 179.01 179.28 1iku h GLU 16 N 0.25 0.83 0.00 2.33 4.22 0.28 -3.35 114.58 119.14 1iku h GLU 16 Ca -0.01 -0.59 0.00 0.00 0.08 0.00 0.00 59.36 58.84 1iku h GLU 16 Cb 1.16 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1iku h GLU 16 CO 0.10 1.21 0.00 -0.11 -2.18 0.00 0.00 179.01 178.04 1iku n LEU 17 N -3.97 0.00 0.00 1.64 0.00 0.26 -4.82 117.00 110.12 1iku n LEU 17 Ca -0.06 0.82 0.00 0.00 0.00 0.00 0.00 56.01 56.78 1iku n LEU 17 Cb 0.68 -0.32 0.00 0.00 0.00 0.00 0.00 43.42 43.78 1iku n LEU 17 CO 0.51 -0.32 0.00 1.67 0.00 0.00 0.00 177.39 179.25 1iku n GLN 18 N -2.11 0.00 -0.73 1.96 7.27 -1.25 -5.13 117.38 117.40 1iku n GLN 18 Ca 0.00 0.00 -0.13 0.00 0.07 0.00 0.00 57.00 56.94 1iku n GLN 18 Cb 0.00 0.00 0.10 0.00 2.41 0.00 0.00 30.24 32.75 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 -2.77 1.69 4.77 -1.23 -4.98 117.00 114.49 1iku n LEU 19 Ca 0.00 -0.61 -0.05 0.00 -0.03 0.00 0.00 56.01 55.32 1iku n LEU 19 Cb 0.00 -0.45 0.01 0.00 -2.33 0.00 0.00 43.42 40.65 1iku n LEU 19 CO 0.00 -1.11 0.12 0.59 -1.33 0.00 0.00 177.39 175.67 1iku n ASN 20 N -3.52 -3.33 0.10 -1.43 3.02 -1.26 -4.62 115.26 104.22 1iku n ASN 20 Ca 0.07 -2.97 -0.23 0.00 -0.03 0.00 0.00 54.58 51.43 1iku n ASN 20 Cb 0.26 1.73 -0.15 0.00 -0.61 0.00 0.00 39.78 41.00 1iku n ASN 20 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1iku h THR 21 N 4.70 1.38 0.00 3.41 1.03 -1.92 -3.42 112.91 118.09 1iku h THR 21 Ca 0.03 -2.62 0.00 0.00 -0.01 0.00 0.00 66.41 63.81 1iku h THR 21 Cb 1.09 3.11 0.00 0.00 -1.07 0.00 0.00 68.15 71.29 1iku h THR 21 CO 0.06 0.77 0.00 0.29 -0.01 0.00 0.00 175.52 176.63 1iku n LYS 22 N -3.91 0.00 -1.69 0.00 5.02 -1.26 -4.88 118.16 111.44 1iku n LYS 22 Ca -0.16 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.70 1iku n LYS 22 Cb 0.97 -3.67 -0.01 0.00 -0.02 0.00 0.00 35.03 32.31 1iku n LYS 22 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1iku n PHE 23 N -1.45 2.22 -1.56 2.13 3.01 -1.26 -4.82 117.46 115.73 1iku n PHE 23 Ca 0.00 0.54 -0.48 0.00 1.01 0.00 0.00 57.45 58.52 1iku n PHE 23 Cb 0.00 -2.41 -0.03 0.00 -0.01 0.00 0.00 39.48 37.02 1iku n PHE 23 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 1iku n THR 24 N 0.55 1.26 0.18 4.37 -1.04 -1.26 -4.81 114.28 113.53 1iku n THR 24 Ca 0.06 -0.31 0.06 0.00 -2.04 0.00 0.00 64.05 61.82 1iku n THR 24 Cb 0.35 -0.78 0.56 0.00 -1.82 0.00 0.00 70.33 68.64 1iku n THR 24 CO 0.00 0.00 0.00 1.05 -0.64 0.00 0.00 175.07 175.48 1iku h GLU 25 N 2.78 0.15 -0.84 -2.82 9.09 -1.91 -1.72 114.58 119.30 1iku h GLU 25 Ca -0.41 -0.01 0.03 0.00 0.05 0.00 0.00 59.36 59.02 1iku h GLU 25 Cb 1.35 -0.03 -0.05 0.00 -1.65 0.00 0.00 28.75 28.38 1iku h GLU 25 CO 0.66 0.13 0.55 0.93 0.05 0.00 0.00 179.01 181.33 1iku h GLU 26 N 0.15 1.01 0.97 1.06 5.08 -1.91 -1.99 114.58 118.96 1iku h GLU 26 Ca 0.04 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.29 1iku h GLU 26 Cb 0.04 -0.23 0.01 0.00 0.50 0.00 0.00 28.75 29.07 1iku h GLU 26 CO -0.00 0.67 -0.47 1.49 -1.00 0.00 0.00 179.01 179.70 1iku h GLU 27 N 1.04 -1.26 -1.06 2.33 4.57 -1.66 -2.27 114.58 116.28 1iku h GLU 27 Ca 0.33 0.09 0.28 0.00 -1.18 0.00 0.00 59.36 58.88 1iku h GLU 27 Cb 0.03 0.29 -0.07 0.00 -0.16 0.00 0.00 28.75 28.83 1iku h GLU 27 CO -0.10 -0.84 0.71 -0.07 -1.18 0.00 0.00 179.01 177.54 1iku h LEU 28 N -1.34 0.28 0.26 1.64 3.38 -1.51 0.96 115.31 118.97 1iku h LEU 28 Ca -0.13 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1iku h LEU 28 Cb 1.00 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.76 1iku h LEU 28 CO 0.22 0.05 -0.12 -1.28 0.09 0.00 0.00 178.44 177.40 1iku h SER 29 N 0.25 -0.30 0.26 -0.43 0.87 -0.82 0.32 113.55 113.71 1iku h SER 29 Ca 0.57 -0.05 -0.11 0.00 -1.23 0.00 0.00 61.79 60.96 1iku h SER 29 Cb 1.72 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 63.75 1iku h SER 29 CO -0.18 -0.14 -0.44 0.77 -0.53 0.00 0.00 176.83 176.31 1iku h SER 30 N -0.44 0.24 0.08 6.23 4.64 -0.60 -2.82 113.55 120.88 1iku h SER 30 Ca -0.04 -0.11 -0.18 0.00 -0.47 0.00 0.00 61.79 61.00 1iku h SER 30 Cb 0.33 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1iku h SER 30 CO 0.06 0.66 -0.64 -0.25 -0.87 0.00 0.00 176.83 175.79 1iku h TRP 31 N 0.19 0.69 0.15 4.77 7.01 -0.71 -1.90 115.95 126.15 1iku h TRP 31 Ca 0.01 -0.27 -0.01 0.00 2.11 0.00 0.00 58.89 60.74 1iku h TRP 31 Cb 0.86 -0.12 0.00 0.00 -2.10 0.00 0.00 29.16 27.80 1iku h TRP 31 CO 0.01 1.02 -0.07 -0.92 -2.79 0.00 0.00 178.44 175.70 1iku h TYR 32 N 0.39 -0.19 -0.45 2.65 3.20 -0.20 0.44 116.97 122.81 1iku h TYR 32 Ca -0.01 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.78 1iku h TYR 32 Cb 1.20 0.06 -0.02 0.00 1.54 0.00 0.00 36.73 39.52 1iku h TYR 32 CO 0.05 0.07 -0.01 1.96 -1.64 0.00 0.00 178.16 178.59 1iku h GLN 33 N -0.43 0.80 -0.15 1.82 1.08 -1.56 -1.09 115.11 115.58 1iku h GLN 33 Ca -0.02 -0.26 -0.13 0.00 -1.45 0.00 0.00 58.65 56.79 1iku h GLN 33 Cb 0.34 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.69 1iku h GLN 33 CO 0.03 0.86 -0.45 0.77 -0.95 0.00 0.00 178.83 179.10 1iku h SER 34 N 0.65 0.39 -0.17 1.46 0.02 -1.32 0.35 113.55 114.93 1iku h SER 34 Ca 0.13 -0.18 -0.16 0.00 -0.84 0.00 0.00 61.79 60.74 1iku h SER 34 Cb 0.51 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.94 1iku h SER 34 CO 0.02 0.79 -0.50 0.15 -1.14 0.00 0.00 176.83 176.15 1iku h PHE 35 N 0.30 0.84 0.00 3.45 3.57 0.06 -2.77 116.94 122.38 1iku h PHE 35 Ca 0.02 -0.33 -0.18 0.00 3.53 0.00 0.00 57.97 61.01 1iku h PHE 35 Cb 0.92 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 39.49 1iku h PHE 35 CO 0.02 1.12 -0.84 -0.07 -2.23 0.00 0.00 178.31 176.31 1iku h LEU 36 N 0.32 0.00 -0.92 0.59 3.38 -1.17 -2.88 115.31 114.63 1iku h LEU 36 Ca -0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1iku h LEU 36 Cb 1.12 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.83 1iku h LEU 36 CO 0.11 0.84 0.49 0.50 0.09 0.00 0.00 178.44 180.47 1iku h LYS 37 N 0.00 1.26 -0.02 1.13 3.64 -0.28 -2.94 116.57 119.35 1iku h LYS 37 Ca -0.01 -0.15 -0.02 0.00 -1.27 0.00 0.00 60.65 59.20 1iku h LYS 37 Cb 1.65 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 33.22 1iku h LYS 37 CO 0.11 0.92 -0.06 0.93 -2.27 0.00 0.00 179.45 179.08 1iku h GLU 38 N 1.26 0.08 -7.04 1.90 4.39 -1.51 -3.44 114.58 110.21 1iku h GLU 38 Ca 0.32 -0.05 -0.55 0.00 0.34 0.00 0.00 59.36 59.41 1iku h GLU 38 Cb 0.03 0.01 0.14 0.00 -0.10 0.00 0.00 28.75 28.82 1iku h GLU 38 CO -0.05 0.66 0.62 0.00 -1.16 0.00 0.00 179.01 179.08 1iku h PRO 40 N 1.56 -0.58 0.00 0.00 0.10 -1.86 -3.38 132.00 127.83 1iku h PRO 40 Ca -0.51 0.04 0.00 0.00 0.10 0.00 0.00 66.00 65.63 1iku h PRO 40 Cb 1.30 0.13 0.00 0.00 0.10 0.00 0.00 31.00 32.53 1iku h PRO 40 CO 0.58 -0.39 -0.33 0.45 0.10 0.00 0.00 178.00 178.41 1iku n SER 41 N -4.87 0.00 0.00 -2.05 2.88 -1.26 -4.96 113.62 103.36 1iku n SER 41 Ca -0.07 -1.66 0.00 0.00 -1.33 0.00 0.00 58.87 55.81 1iku n SER 41 Cb 0.33 -0.13 0.00 0.00 -0.75 0.00 0.00 64.21 63.66 1iku n SER 41 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1iku n GLY 42 N 0.00 1.14 3.58 0.46 0.00 -1.26 -4.79 105.19 104.33 1iku n GLY 42 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 3.78 0.29 1.61 0.52 -1.26 0.70 118.95 124.59 1iku s ARG 43 Ca 0.00 0.21 0.05 0.00 -0.52 0.00 0.00 55.73 55.47 1iku s ARG 43 Cb 0.00 -3.78 -0.06 0.00 0.52 0.00 0.00 34.95 31.63 1iku s ARG 43 CO 0.00 -0.69 -0.01 0.96 0.02 0.00 0.00 175.30 175.58 1iku s ILE 44 N 2.75 1.38 0.39 1.52 -4.36 -0.61 -4.83 121.20 117.44 1iku s ILE 44 Ca 0.26 -2.06 0.08 0.00 -0.26 0.00 0.00 60.65 58.67 1iku s ILE 44 Cb -0.14 -2.56 0.00 0.00 1.25 0.00 0.00 42.46 41.01 1iku s ILE 44 CO 0.14 -0.20 0.53 0.42 0.24 0.00 0.00 174.94 176.07 1iku s THR 45 N -3.18 3.29 -0.00 8.37 -4.23 -1.26 -0.01 115.64 118.62 1iku s THR 45 Ca 0.32 -1.02 -0.24 0.00 -1.18 0.00 0.00 61.69 59.57 1iku s THR 45 Cb 0.06 -3.12 -0.15 0.00 1.34 0.00 0.00 72.50 70.63 1iku s THR 45 CO 0.13 -0.05 1.09 0.03 -0.54 0.00 0.00 174.62 175.28 1iku h ARG 46 N 0.74 -0.47 -1.44 3.99 3.08 -1.97 -0.93 114.38 117.37 1iku h ARG 46 Ca -0.42 0.03 0.42 0.00 0.07 0.00 0.00 59.98 60.08 1iku h ARG 46 Cb 1.27 0.11 -0.06 0.00 0.08 0.00 0.00 29.97 31.37 1iku h ARG 46 CO 0.48 -0.15 1.15 0.37 -1.07 0.00 0.00 179.97 180.75 1iku h GLN 47 N -0.90 0.00 0.11 0.04 4.15 -1.96 0.34 115.11 116.90 1iku h GLN 47 Ca -0.05 0.00 -0.33 0.00 0.77 0.00 0.00 58.65 59.04 1iku h GLN 47 Cb 0.54 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.21 1iku h GLN 47 CO 0.08 0.00 -1.75 0.93 -1.93 0.00 0.00 178.83 176.16 1iku h GLU 48 N 0.00 0.24 -0.42 1.69 4.39 -1.92 -3.35 114.58 115.20 1iku h GLU 48 Ca 0.69 -0.40 0.08 0.00 0.34 0.00 0.00 59.36 60.07 1iku h GLU 48 Cb 2.99 0.15 -0.08 0.00 -0.10 0.00 0.00 28.75 31.71 1iku h GLU 48 CO -0.01 1.19 -0.11 0.35 -1.16 0.00 0.00 179.01 179.28 1iku h PHE 49 N -0.16 -0.23 -0.94 4.33 3.57 0.11 -0.67 116.94 122.94 1iku h PHE 49 Ca -0.38 0.04 0.14 0.00 3.53 0.00 0.00 57.97 61.29 1iku h PHE 49 Cb 1.88 0.17 -0.09 0.00 2.79 0.00 0.00 35.95 40.70 1iku h PHE 49 CO 0.09 -0.18 0.56 0.37 -2.23 0.00 0.00 178.31 176.92 1iku h GLN 50 N -0.00 0.81 -0.26 1.11 5.75 -1.57 0.11 115.11 121.06 1iku h GLN 50 Ca 0.20 -0.05 -0.06 0.00 -0.15 0.00 0.00 58.65 58.60 1iku h GLN 50 Cb 0.31 -0.18 -0.02 0.00 1.07 0.00 0.00 27.48 28.67 1iku h GLN 50 CO -0.44 0.53 -0.08 1.15 -2.65 0.00 0.00 178.83 177.34 1iku h THR 51 N 0.83 1.20 -0.07 2.39 2.02 -1.27 -1.89 112.91 116.12 1iku h THR 51 Ca 0.49 -0.86 -0.23 0.00 0.77 0.00 0.00 66.41 66.58 1iku h THR 51 Cb 0.60 1.10 0.01 0.00 -1.74 0.00 0.00 68.15 68.12 1iku h THR 51 CO -0.31 0.28 -0.88 0.40 0.37 0.00 0.00 175.52 175.39 1iku h ILE 52 N 0.40 1.31 -0.21 3.11 2.04 -0.42 -2.03 117.51 121.71 1iku h ILE 52 Ca 0.08 -2.15 -0.09 0.00 1.00 0.00 0.00 64.86 63.71 1iku h ILE 52 Cb 0.40 2.18 -0.01 0.00 -0.74 0.00 0.00 36.82 38.65 1iku h ILE 52 CO 0.02 0.66 -0.24 0.22 0.00 0.00 0.00 178.15 178.82 1iku h TYR 53 N 0.42 0.43 0.02 1.37 3.20 -0.97 -0.30 116.97 121.13 1iku h TYR 53 Ca -0.08 -0.08 -0.21 0.00 3.14 0.00 0.00 58.73 61.50 1iku h TYR 53 Cb 1.51 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 39.65 1iku h TYR 53 CO 0.08 0.60 -0.97 0.77 -1.64 0.00 0.00 178.16 177.01 1iku h SER 54 N 0.35 0.14 1.35 -2.11 0.02 -1.33 -1.50 113.55 110.47 1iku h SER 54 Ca 0.05 -0.13 -0.13 0.00 -0.84 0.00 0.00 61.79 60.75 1iku h SER 54 Cb 0.61 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.09 1iku h SER 54 CO 0.04 1.02 -0.65 0.50 -1.14 0.00 0.00 176.83 176.60 1iku h LYS 55 N 0.04 0.00 0.00 3.45 3.64 -1.12 -2.85 116.57 119.73 1iku h LYS 55 Ca -0.04 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1iku h LYS 55 Cb 1.66 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.48 1iku h LYS 55 CO 0.14 0.58 -1.09 1.19 -2.27 0.00 0.00 179.45 177.99 1iku n PHE 56 N -3.23 0.41 -3.16 1.91 3.01 -0.15 -4.51 117.46 111.74 1iku n PHE 56 Ca 0.01 0.12 -0.20 0.00 1.01 0.00 0.00 57.45 58.38 1iku n PHE 56 Cb 0.78 -0.57 -0.04 0.00 -0.01 0.00 0.00 39.48 39.64 1iku n PHE 56 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1iku n PHE 57 N -2.15 -0.30 0.04 1.38 3.72 -0.57 -3.95 117.46 115.62 1iku n PHE 57 Ca 0.01 -3.57 -0.12 0.00 -0.05 0.00 0.00 57.45 53.72 1iku n PHE 57 Cb 0.47 -0.26 -0.07 0.00 -0.94 0.00 0.00 39.48 38.69 1iku n PHE 57 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1iku h PRO 58 N 3.52 -0.01 -0.67 -1.08 0.11 -1.72 -1.83 132.00 130.32 1iku h PRO 58 Ca 0.07 0.00 0.18 0.00 0.11 0.00 0.00 66.00 66.36 1iku h PRO 58 Cb 0.93 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.01 1iku h PRO 58 CO 0.46 -0.01 0.47 1.49 -0.21 0.00 0.00 178.00 180.21 1iku h GLU 59 N -0.01 0.07 -7.38 1.05 4.57 -1.89 -3.41 114.58 107.58 1iku h GLU 59 Ca 0.01 -0.00 -0.46 0.00 -1.18 0.00 0.00 59.36 57.72 1iku h GLU 59 Cb 0.02 -0.02 0.08 0.00 -0.16 0.00 0.00 28.75 28.68 1iku h GLU 59 CO -0.02 0.05 0.28 0.00 -1.18 0.00 0.00 179.01 178.14 1iku s ALA 60 N -5.08 3.03 0.73 2.92 0.00 -0.69 -5.04 121.76 117.64 1iku s ALA 60 Ca -0.06 -0.84 -0.11 0.00 0.00 0.00 0.00 51.96 50.95 1iku s ALA 60 Cb 0.20 -2.70 0.03 0.00 0.00 0.00 0.00 23.12 20.66 1iku s ALA 60 CO 0.75 -1.39 1.12 -0.51 0.00 0.00 0.00 175.76 175.73 1iku s ASP 61 N -4.53 5.16 0.00 0.00 1.01 -1.26 -4.85 116.67 112.20 1iku s ASP 61 Ca 0.60 1.00 0.00 0.00 0.71 0.00 0.00 52.55 54.87 1iku s ASP 61 Cb -0.11 -1.71 0.00 0.00 1.01 0.00 0.00 42.92 42.11 1iku s ASP 61 CO 0.46 -1.51 0.46 -2.65 0.21 0.00 0.00 175.17 172.14 1iku n PRO 62 N -3.09 0.00 0.00 8.23 -0.02 -1.26 -3.76 135.00 135.10 1iku n PRO 62 Ca 0.07 0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 1iku n PRO 62 Cb 0.58 -1.52 0.00 0.00 -0.02 0.00 0.00 33.50 32.54 1iku n PRO 62 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 1iku n LYS 63 N -0.96 0.00 0.00 -0.52 2.85 -1.26 -4.83 118.16 113.43 1iku n LYS 63 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1iku n LYS 63 Cb 0.02 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.40 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 0.00 0.00 -0.07 0.58 0.00 -1.25 -4.57 120.51 115.20 1iku n ALA 64 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1iku n ALA 64 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 1iku n ALA 64 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1iku h TYR 65 N 0.00 0.00 0.00 0.00 3.20 -1.98 -3.29 116.97 114.89 1iku h TYR 65 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1iku h TYR 65 Cb 0.00 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.27 1iku h TYR 65 CO 0.00 0.63 0.29 0.00 -1.64 0.00 0.00 178.16 177.44 1iku n ALA 66 N -3.08 0.44 -0.03 1.82 0.00 -1.26 -1.05 120.51 117.35 1iku n ALA 66 Ca -0.12 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.45 1iku n ALA 66 Cb 0.35 -0.44 0.55 0.00 0.00 0.00 0.00 19.45 19.91 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 0.28 0.00 0.00 4.15 -1.80 0.47 115.11 118.21 1iku h GLN 67 Ca 0.00 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.40 1iku h GLN 67 Cb 0.57 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.20 1iku h GLN 67 CO 0.00 0.19 -0.47 1.25 -1.93 0.00 0.00 178.83 177.87 1iku h HIS 68 N 0.29 0.00 0.00 3.99 2.76 -1.36 -3.21 115.15 117.62 1iku h HIS 68 Ca 0.24 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.41 1iku h HIS 68 Cb 0.57 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.53 1iku h HIS 68 CO -0.00 0.00 -0.11 0.28 -1.30 0.00 0.00 177.93 176.80 1iku h VAL 69 N 0.00 0.00 -0.97 5.26 2.07 -1.09 -2.36 116.25 119.16 1iku h VAL 69 Ca 0.00 -0.76 0.15 0.00 0.82 0.00 0.00 66.70 66.91 1iku h VAL 69 Cb 0.88 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.55 1iku h VAL 69 CO 0.00 0.00 0.58 0.15 0.02 0.00 0.00 177.57 178.32 1iku h PHE 70 N -0.76 1.05 -0.13 1.57 3.04 -1.53 0.14 116.94 120.32 1iku h PHE 70 Ca 0.00 0.03 -0.04 0.00 3.98 0.00 0.00 57.97 61.94 1iku h PHE 70 Cb 0.11 -0.32 -0.00 0.00 2.56 0.00 0.00 35.95 38.29 1iku h PHE 70 CO -0.05 0.33 -0.08 -0.09 -2.02 0.00 0.00 178.31 176.40 1iku h ARG 71 N 0.85 0.29 0.00 1.11 1.12 -1.71 -2.76 114.38 113.28 1iku h ARG 71 Ca 0.51 -0.13 0.00 0.00 -1.11 0.00 0.00 59.98 59.25 1iku h ARG 71 Cb 0.64 -0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.60 1iku h ARG 71 CO -0.32 0.64 0.00 0.43 -3.11 0.00 0.00 179.97 177.61 1iku n SER 72 N -4.65 0.00 -0.05 -3.80 7.64 -0.73 -3.27 113.62 108.77 1iku n SER 72 Ca -0.06 -0.27 -0.13 0.00 1.01 0.00 0.00 58.87 59.42 1iku n SER 72 Cb 0.31 -0.17 -0.12 0.00 -1.01 0.00 0.00 64.21 63.22 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 -0.01 -2.85 1.43 3.04 -0.44 -3.38 116.94 114.73 1iku h PHE 73 Ca 0.00 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1iku h PHE 73 Cb 0.11 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.62 1iku h PHE 73 CO 0.00 0.81 -0.65 -3.47 -2.02 0.00 0.00 178.31 172.98 1iku n ASP 74 N -4.69 -7.04 -4.62 0.41 -0.08 -1.20 -4.79 116.55 94.53 1iku n ASP 74 Ca -0.09 0.92 -0.43 0.00 -1.51 0.00 0.00 54.79 53.68 1iku n ASP 74 Cb 0.40 -3.20 -0.02 0.00 2.34 0.00 0.00 41.12 40.64 1iku n ASP 74 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1iku s ALA 75 N -1.52 3.31 0.24 -1.67 0.00 -1.26 -4.89 121.76 115.97 1iku s ALA 75 Ca 0.00 0.06 -0.07 0.00 0.00 0.00 0.00 51.96 51.95 1iku s ALA 75 Cb 0.00 -3.81 0.25 0.00 0.00 0.00 0.00 23.12 19.57 1iku s ALA 75 CO 0.00 -1.88 1.90 -0.97 0.00 0.00 0.00 175.76 174.81 1iku h ASN 76 N 9.56 1.04 -0.18 0.00 -0.73 -1.87 -0.38 115.58 123.01 1iku h ASN 76 Ca -0.26 -0.02 0.00 0.00 1.87 0.00 0.00 56.30 57.89 1iku h ASN 76 Cb 1.10 -0.25 0.00 0.00 0.27 0.00 0.00 38.32 39.44 1iku h ASN 76 CO 1.04 0.74 0.00 -1.54 -0.37 0.00 0.00 177.43 177.30 1iku n SER 77 N -4.46 2.27 -3.47 1.15 3.41 -1.26 -4.91 113.62 106.35 1iku n SER 77 Ca 0.11 -2.24 -0.14 0.00 -0.26 0.00 0.00 58.87 56.34 1iku n SER 77 Cb 0.04 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 63.49 1iku n SER 77 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1iku n ASP 78 N 0.18 -6.16 0.00 4.04 2.03 -0.15 -4.57 116.55 111.91 1iku n ASP 78 Ca 0.08 -0.57 0.00 0.00 0.52 0.00 0.00 54.79 54.83 1iku n ASP 78 Cb 0.49 -3.29 0.00 0.00 -0.72 0.00 0.00 41.12 37.60 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 -1.70 -0.56 3.99 0.27 0.00 -1.26 -5.08 105.19 100.84 1iku n GLY 79 Ca -0.18 0.27 -0.20 0.00 0.00 0.00 0.00 46.02 45.91 1iku n GLY 79 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1iku s THR 80 N 0.00 2.76 -0.02 2.61 -4.23 -1.26 -4.33 115.64 111.17 1iku s THR 80 Ca 0.00 -0.78 -0.08 0.00 -1.18 0.00 0.00 61.69 59.65 1iku s THR 80 Cb 0.00 -2.98 0.01 0.00 1.34 0.00 0.00 72.50 70.87 1iku s THR 80 CO 0.00 0.00 0.16 -1.48 -0.54 0.00 0.00 174.62 172.76 1iku s LEU 81 N -4.63 1.43 0.31 4.79 2.34 0.99 -4.25 118.68 119.67 1iku s LEU 81 Ca 0.57 -0.03 -0.29 0.00 0.06 0.00 0.00 54.13 54.44 1iku s LEU 81 Cb -0.10 0.71 -0.10 0.00 -0.56 0.00 0.00 46.19 46.14 1iku s LEU 81 CO 0.37 -0.30 1.37 -1.81 -1.06 0.00 0.00 176.35 174.92 1iku s ASP 82 N -0.99 6.68 -0.19 1.48 1.01 -1.26 -1.57 116.67 121.84 1iku s ASP 82 Ca -0.11 2.72 -0.17 0.00 0.71 0.00 0.00 52.55 55.70 1iku s ASP 82 Cb -0.06 -2.64 -0.21 0.00 1.01 0.00 0.00 42.92 41.02 1iku s ASP 82 CO 0.01 -0.63 0.24 0.33 0.21 0.00 0.00 175.17 175.33 1iku n PHE 83 N 1.28 1.05 -0.06 4.23 7.35 0.22 -3.54 117.46 127.99 1iku n PHE 83 Ca 0.02 0.38 -0.08 0.00 -0.76 0.00 0.00 57.45 57.02 1iku n PHE 83 Cb 0.41 -1.12 -0.01 0.00 0.35 0.00 0.00 39.48 39.11 1iku n PHE 83 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 1iku h LYS 84 N -0.70 -0.20 -0.77 -4.13 1.57 -1.88 0.22 116.57 110.68 1iku h LYS 84 Ca -0.38 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.45 1iku h LYS 84 Cb 1.52 0.05 -0.05 0.00 0.08 0.00 0.00 32.23 33.82 1iku h LYS 84 CO -0.14 -0.13 0.47 0.93 -0.57 0.00 0.00 179.45 180.01 1iku h GLU 85 N -0.21 0.87 -0.71 3.15 3.07 -1.95 -1.34 114.58 117.47 1iku h GLU 85 Ca 0.15 -0.05 -0.04 0.00 -0.50 0.00 0.00 59.36 58.91 1iku h GLU 85 Cb 0.43 -0.20 -0.03 0.00 -0.84 0.00 0.00 28.75 28.12 1iku h GLU 85 CO -0.40 0.58 0.28 -0.92 -1.40 0.00 0.00 179.01 177.15 1iku h TYR 86 N 0.90 1.07 -0.23 4.33 5.03 -1.24 -1.61 116.97 125.21 1iku h TYR 86 Ca 0.32 -0.07 -0.02 0.00 2.58 0.00 0.00 58.73 61.54 1iku h TYR 86 Cb 0.09 -0.32 -0.01 0.00 1.55 0.00 0.00 36.73 38.03 1iku h TYR 86 CO -0.04 0.82 0.07 0.28 -1.32 0.00 0.00 178.16 177.96 1iku h VAL 87 N 1.03 1.19 0.97 1.81 2.07 0.30 -0.21 116.25 123.40 1iku h VAL 87 Ca 0.24 -0.61 -0.05 0.00 0.82 0.00 0.00 66.70 67.10 1iku h VAL 87 Cb 0.20 1.17 0.01 0.00 -1.52 0.00 0.00 31.29 31.15 1iku h VAL 87 CO -0.02 0.20 -0.47 0.40 0.02 0.00 0.00 177.57 177.70 1iku h ILE 88 N 0.20 0.00 -0.97 4.57 2.04 -1.04 0.34 117.51 122.65 1iku h ILE 88 Ca 0.07 -0.02 0.24 0.00 1.00 0.00 0.00 64.86 66.15 1iku h ILE 88 Cb 0.23 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.24 1iku h ILE 88 CO -0.00 0.00 0.64 0.00 0.00 0.00 0.00 178.15 178.79 1iku h ALA 89 N -1.38 2.33 -0.29 1.87 0.00 -1.32 0.43 119.26 120.90 1iku h ALA 89 Ca -0.13 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.66 1iku h ALA 89 Cb 1.00 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 1iku h ALA 89 CO 0.22 -0.65 -0.38 1.25 0.00 0.00 0.00 179.25 179.68 1iku h LEU 90 N 0.34 0.84 0.00 0.00 7.12 -0.44 -3.36 115.31 119.81 1iku h LEU 90 Ca 0.51 -0.50 0.00 0.00 0.13 0.00 0.00 57.88 58.02 1iku h LEU 90 Cb 1.40 -0.24 0.00 0.00 -0.53 0.00 0.00 40.66 41.29 1iku h LEU 90 CO -0.19 1.17 0.00 1.41 -0.13 0.00 0.00 178.44 180.70 1iku n HIS 91 N -4.17 0.00 0.00 1.25 8.25 0.11 -4.81 115.22 115.86 1iku n HIS 91 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 1iku n HIS 91 Cb 0.53 -0.49 0.00 0.00 1.12 0.00 0.00 29.99 31.16 1iku n HIS 91 CO 0.00 0.00 0.00 -0.12 0.64 0.00 0.00 176.34 176.86 1iku n MET 92 N -1.96 2.11 -0.20 -0.41 1.56 0.11 -3.96 117.12 114.37 1iku n MET 92 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.43 1iku n MET 92 Cb 0.00 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.37 1iku n MET 92 CO 0.00 0.00 0.00 -2.37 -0.73 0.00 0.00 175.97 172.87 1iku n THR 93 N -0.12 0.00 -3.31 1.12 5.66 -1.26 -4.83 114.28 111.54 1iku n THR 93 Ca 0.00 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.58 1iku n THR 93 Cb 0.00 -0.20 -0.09 0.00 -1.55 0.00 0.00 70.33 68.49 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 -1.65 6.24 0.49 1.09 1.04 -1.25 -4.92 113.70 114.72 1iku s SER 94 Ca 0.00 -0.28 -0.23 0.00 0.48 0.00 0.00 55.95 55.92 1iku s SER 94 Cb 0.00 -2.23 -0.08 0.00 0.10 0.00 0.00 66.02 63.81 1iku s SER 94 CO 0.00 -0.47 1.20 0.00 0.98 0.00 0.00 173.24 174.95 1iku n ALA 95 N 5.61 1.00 0.00 5.32 0.00 -1.26 -4.81 120.51 126.36 1iku n ALA 95 Ca -0.07 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1iku n ALA 95 Cb 0.49 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.70 1iku n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iku n GLY 96 N 0.94 2.54 2.36 0.00 0.00 -1.26 -5.08 105.19 104.69 1iku n GLY 96 Ca 0.09 -1.16 -0.01 0.00 0.00 0.00 0.00 46.02 44.94 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 1.35 -4.42 0.00 1.61 4.76 -1.26 -4.98 118.16 115.21 1iku n LYS 97 Ca 0.00 3.22 0.00 0.00 -2.87 0.00 0.00 58.31 58.66 1iku n LYS 97 Cb 0.00 -4.18 0.00 0.00 -1.84 0.00 0.00 35.03 29.01 1iku n LYS 97 CO 0.00 0.00 0.00 -2.37 -1.37 0.00 0.00 177.40 173.66 1iku n THR 98 N 1.88 0.00 -0.22 -0.18 5.66 -1.26 -4.32 114.28 115.83 1iku n THR 98 Ca -0.05 0.33 0.00 0.00 -3.05 0.00 0.00 64.05 61.29 1iku n THR 98 Cb 0.08 -1.32 0.04 0.00 -1.55 0.00 0.00 70.33 67.58 1iku n THR 98 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1iku n ASN 99 N -2.30 -0.34 -0.31 1.09 5.15 -1.26 0.20 115.26 117.49 1iku n ASN 99 Ca 0.00 1.03 -0.00 0.00 -0.60 0.00 0.00 54.58 55.01 1iku n ASN 99 Cb 0.00 -0.26 0.18 0.00 -0.53 0.00 0.00 39.78 39.17 1iku n ASN 99 CO 0.00 0.00 0.00 -0.61 1.40 0.00 0.00 177.26 178.05 1iku h GLN 100 N 0.00 1.16 -0.22 1.20 5.75 -1.98 -1.99 115.11 119.03 1iku h GLN 100 Ca 0.23 -0.07 -0.07 0.00 -0.15 0.00 0.00 58.65 58.59 1iku h GLN 100 Cb 0.38 -0.26 -0.01 0.00 1.07 0.00 0.00 27.48 28.65 1iku h GLN 100 CO -0.60 0.76 -0.17 0.87 -2.65 0.00 0.00 178.83 177.05 1iku h LYS 101 N 1.19 0.37 0.52 1.69 1.79 0.20 -3.17 116.57 119.17 1iku h LYS 101 Ca 0.34 -0.11 -0.02 0.00 -2.18 0.00 0.00 60.65 58.69 1iku h LYS 101 Cb -0.09 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 30.50 1iku h LYS 101 CO -0.08 0.53 -0.43 -0.07 -1.08 0.00 0.00 179.45 178.31 1iku h LEU 102 N 0.34 -1.15 -1.04 2.94 3.38 -0.54 -2.07 115.31 117.16 1iku h LEU 102 Ca 0.06 0.09 0.41 0.00 0.09 0.00 0.00 57.88 58.53 1iku h LEU 102 Cb 0.50 0.37 -0.17 0.00 0.09 0.00 0.00 40.66 41.44 1iku h LEU 102 CO 0.03 -0.62 0.58 -0.33 0.09 0.00 0.00 178.44 178.19 1iku h GLU 103 N -0.94 0.05 -0.02 1.13 4.39 -1.51 0.63 114.58 118.30 1iku h GLU 103 Ca -0.06 -0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.63 1iku h GLU 103 Cb 0.81 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.44 1iku h GLU 103 CO -0.01 0.03 -0.00 2.35 -1.16 0.00 0.00 179.01 180.22 1iku h TRP 104 N 0.05 0.04 -0.32 4.33 7.01 -1.47 0.21 115.95 125.81 1iku h TRP 104 Ca 0.83 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.83 1iku h TRP 104 Cb 2.21 -0.01 -0.02 0.00 -2.10 0.00 0.00 29.16 29.25 1iku h TRP 104 CO -0.01 0.34 0.20 0.00 -2.79 0.00 0.00 178.44 176.18 1iku h ALA 105 N 0.70 0.40 -0.57 2.65 0.00 0.54 0.43 119.26 123.40 1iku h ALA 105 Ca 0.01 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1iku h ALA 105 Cb 0.32 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1iku h ALA 105 CO 0.00 -0.11 0.11 0.35 0.00 0.00 0.00 179.25 179.60 1iku h PHE 106 N 0.42 0.99 0.00 0.00 3.04 -0.76 -2.41 116.94 118.21 1iku h PHE 106 Ca 0.11 -0.13 -0.10 0.00 3.98 0.00 0.00 57.97 61.84 1iku h PHE 106 Cb -0.02 -0.27 -0.01 0.00 2.56 0.00 0.00 35.95 38.20 1iku h PHE 106 CO -0.05 0.86 -0.47 0.77 -2.02 0.00 0.00 178.31 177.40 1iku h SER 107 N 0.83 0.00 -0.08 0.41 0.02 -0.26 -1.17 113.55 113.30 1iku h SER 107 Ca 0.18 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 61.05 1iku h SER 107 Cb 0.39 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 1iku h SER 107 CO 0.01 0.47 -0.17 0.25 -1.14 0.00 0.00 176.83 176.25 1iku h LEU 108 N 0.00 0.43 0.00 5.07 5.85 0.27 -2.58 115.31 124.35 1iku h LEU 108 Ca -0.00 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.60 1iku h LEU 108 Cb 0.83 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.75 1iku h LEU 108 CO 0.06 0.62 -0.75 1.88 -0.34 0.00 0.00 178.44 179.92 1iku h TYR 109 N 0.40 0.00 -0.11 1.25 0.05 -1.10 -3.41 116.97 114.05 1iku h TYR 109 Ca 0.07 0.00 -0.63 0.00 0.05 0.00 0.00 58.73 58.22 1iku h TYR 109 Cb 0.53 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.28 1iku h TYR 109 CO 0.02 0.00 2.34 -3.47 -1.05 0.00 0.00 178.16 176.00 1iku n ASP 110 N -2.20 3.05 -0.05 3.88 2.03 -0.47 -4.39 116.55 118.39 1iku n ASP 110 Ca 0.02 -2.73 0.02 0.00 0.52 0.00 0.00 54.79 52.62 1iku n ASP 110 Cb 0.46 -1.36 -0.16 0.00 -0.72 0.00 0.00 41.12 39.34 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 6.03 0.61 0.00 5.18 0.24 -1.26 -4.68 118.33 124.45 1iku n VAL 111 Ca 0.50 -0.64 0.00 0.00 -2.04 0.00 0.00 64.34 62.15 1iku n VAL 111 Cb 0.41 -0.21 0.00 0.00 -1.47 0.00 0.00 33.84 32.58 1iku n VAL 111 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1iku n ASP 112 N -2.46 0.00 0.00 -1.34 5.68 -1.26 -5.02 116.55 112.15 1iku n ASP 112 Ca -0.17 0.63 0.00 0.00 -0.50 0.00 0.00 54.79 54.76 1iku n ASP 112 Cb 0.82 -0.35 0.00 0.00 -1.14 0.00 0.00 41.12 40.45 1iku n ASP 112 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1iku n GLY 113 N 0.45 -0.05 0.42 6.12 0.00 -1.26 -4.94 105.19 105.93 1iku n GLY 113 Ca 0.00 0.23 0.20 0.00 0.00 0.00 0.00 46.02 46.45 1iku n GLY 113 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1iku h ASN 114 N 0.00 0.00 -3.22 1.61 -0.26 -1.97 -3.45 115.58 108.30 1iku h ASN 114 Ca 0.00 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.73 1iku h ASN 114 Cb 0.00 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 37.27 1iku h ASN 114 CO 0.00 0.00 -0.02 0.61 -1.06 0.00 0.00 177.43 176.96 1iku n GLY 115 N -1.52 -0.03 3.21 2.83 0.00 -1.26 -4.98 105.19 103.45 1iku n GLY 115 Ca 0.10 -0.16 -0.12 0.00 0.00 0.00 0.00 46.02 45.84 1iku n GLY 115 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1iku s THR 116 N -3.01 0.08 0.03 2.61 -4.23 -1.26 -3.86 115.64 105.99 1iku s THR 116 Ca 0.01 -0.66 0.05 0.00 -1.18 0.00 0.00 61.69 59.92 1iku s THR 116 Cb -0.00 -0.75 -0.02 0.00 1.34 0.00 0.00 72.50 73.06 1iku s THR 116 CO 0.07 -0.36 -0.15 -0.51 -0.54 0.00 0.00 174.62 173.12 1iku s ILE 117 N -1.97 1.19 0.43 2.99 2.07 -0.80 -4.79 121.20 120.32 1iku s ILE 117 Ca -0.09 -0.96 0.08 0.00 -1.41 0.00 0.00 60.65 58.27 1iku s ILE 117 Cb -0.03 -1.06 -0.00 0.00 0.13 0.00 0.00 42.46 41.49 1iku s ILE 117 CO -0.00 0.09 0.46 -0.44 -1.91 0.00 0.00 174.94 173.14 1iku s SER 118 N -1.00 5.25 0.10 4.50 0.01 -1.26 -1.43 113.70 119.86 1iku s SER 118 Ca 0.03 -0.65 -0.32 0.00 1.31 0.00 0.00 55.95 56.32 1iku s SER 118 Cb -0.08 -0.54 -0.13 0.00 0.21 0.00 0.00 66.02 65.48 1iku s SER 118 CO 0.01 -0.73 1.60 0.50 0.41 0.00 0.00 173.24 175.03 1iku h LYS 119 N 0.86 -0.76 -1.06 12.44 3.64 -1.82 -1.76 116.57 128.10 1iku h LYS 119 Ca -0.40 0.05 0.40 0.00 -1.27 0.00 0.00 60.65 59.43 1iku h LYS 119 Cb 1.27 0.17 -0.16 0.00 -0.41 0.00 0.00 32.23 33.10 1iku h LYS 119 CO 0.53 -0.50 0.61 -2.95 -2.27 0.00 0.00 179.45 174.86 1iku h ASN 120 N -0.78 0.36 -0.25 4.20 -1.07 -1.96 0.81 115.58 116.89 1iku h ASN 120 Ca -0.02 0.22 -0.02 0.00 0.07 0.00 0.00 56.30 56.55 1iku h ASN 120 Cb 0.72 0.21 -0.01 0.00 -2.07 0.00 0.00 38.32 37.16 1iku h ASN 120 CO -0.09 -0.31 0.08 -0.33 0.07 0.00 0.00 177.43 176.84 1iku h GLU 121 N 0.10 0.39 -0.51 4.14 3.07 -1.72 -2.36 114.58 117.69 1iku h GLU 121 Ca 0.82 -0.08 0.05 0.00 -0.50 0.00 0.00 59.36 59.64 1iku h GLU 121 Cb 2.17 -0.06 -0.05 0.00 -0.84 0.00 0.00 28.75 29.98 1iku h GLU 121 CO -0.66 0.47 0.25 0.28 -1.40 0.00 0.00 179.01 177.94 1iku h VAL 122 N 0.23 0.94 -0.75 3.13 2.07 0.88 -0.99 116.25 121.76 1iku h VAL 122 Ca 0.08 -0.16 0.14 0.00 0.82 0.00 0.00 66.70 67.58 1iku h VAL 122 Cb 0.24 0.42 -0.09 0.00 -1.52 0.00 0.00 31.29 30.34 1iku h VAL 122 CO -0.00 0.09 0.30 0.25 0.02 0.00 0.00 177.57 178.23 1iku h LEU 123 N 0.48 0.28 -0.42 2.57 5.85 -0.98 0.10 115.31 123.19 1iku h LEU 123 Ca 0.23 0.11 0.08 0.00 0.84 0.00 0.00 57.88 59.14 1iku h LEU 123 Cb 0.15 0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.19 1iku h LEU 123 CO -0.17 0.11 -0.04 -0.08 -0.34 0.00 0.00 178.44 177.92 1iku h GLU 124 N 0.44 0.06 0.27 1.25 4.81 -0.65 0.30 114.58 121.06 1iku h GLU 124 Ca 0.41 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.64 1iku h GLU 124 Cb 0.62 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.98 1iku h GLU 124 CO -0.40 0.04 -0.21 0.82 -0.73 0.00 0.00 179.01 178.53 1iku h ILE 125 N 0.06 0.55 -0.91 2.32 2.04 -0.77 0.36 117.51 121.17 1iku h ILE 125 Ca 0.21 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.20 1iku h ILE 125 Cb 0.31 0.55 -0.07 0.00 -0.74 0.00 0.00 36.82 36.86 1iku h ILE 125 CO -0.38 0.00 0.58 0.58 0.00 0.00 0.00 178.15 178.93 1iku h VAL 126 N -0.49 0.85 -0.43 1.67 2.07 -0.58 0.12 116.25 119.46 1iku h VAL 126 Ca -0.02 -0.26 -0.11 0.00 0.82 0.00 0.00 66.70 67.14 1iku h VAL 126 Cb 0.43 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 1iku h VAL 126 CO -0.01 0.14 -0.16 0.74 0.02 0.00 0.00 177.57 178.30 1iku h THR 127 N 0.75 1.26 0.18 2.57 2.02 0.35 0.15 112.91 120.19 1iku h THR 127 Ca 0.46 -1.25 0.01 0.00 0.77 0.00 0.00 66.41 66.40 1iku h THR 127 Cb 0.67 1.10 -0.04 0.00 -1.74 0.00 0.00 68.15 68.14 1iku h THR 127 CO -0.22 0.43 -0.44 0.00 0.37 0.00 0.00 175.52 175.66 1iku h ALA 128 N 1.10 -0.83 -0.05 6.16 0.00 0.14 0.46 119.26 126.24 1iku h ALA 128 Ca 0.11 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1iku h ALA 128 Cb 0.66 0.72 -0.00 0.00 0.00 0.00 0.00 17.79 19.17 1iku h ALA 128 CO 0.05 -1.03 -0.02 0.82 0.00 0.00 0.00 179.25 179.07 1iku h ILE 129 N -0.72 1.32 -1.16 0.00 2.04 -1.40 -2.56 117.51 115.04 1iku h ILE 129 Ca 0.00 -0.98 0.34 0.00 1.00 0.00 0.00 64.86 65.22 1iku h ILE 129 Cb 0.71 1.88 -0.05 0.00 -0.74 0.00 0.00 36.82 38.63 1iku h ILE 129 CO -0.22 0.27 0.88 0.15 0.00 0.00 0.00 178.15 179.23 1iku h PHE 130 N -0.28 0.00 -0.02 1.37 3.04 -0.49 1.17 116.94 121.72 1iku h PHE 130 Ca 0.01 0.00 -0.25 0.00 3.98 0.00 0.00 57.97 61.71 1iku h PHE 130 Cb 0.44 0.00 0.01 0.00 2.56 0.00 0.00 35.95 38.96 1iku h PHE 130 CO 0.06 0.00 -0.98 -0.22 -2.02 0.00 0.00 178.31 175.16 1iku h LYS 131 N 0.00 0.64 -0.00 1.11 1.63 -0.52 -2.93 116.57 116.50 1iku h LYS 131 Ca 0.55 -0.66 0.00 0.00 -0.85 0.00 0.00 60.65 59.69 1iku h LYS 131 Cb 2.29 0.18 -0.00 0.00 -0.60 0.00 0.00 32.23 34.10 1iku h LYS 131 CO -0.01 1.26 0.02 0.00 -3.45 0.00 0.00 179.45 177.27 1iku h MET 132 N 0.37 0.00 -6.53 1.90 -0.00 0.17 -3.39 114.93 107.45 1iku h MET 132 Ca -0.10 0.00 -0.56 0.00 -0.00 0.00 0.00 59.70 59.03 1iku h MET 132 Cb 1.62 0.00 -0.08 0.00 -0.00 0.00 0.00 31.60 33.14 1iku h MET 132 CO 0.19 0.00 0.91 0.42 -0.00 0.00 0.00 176.91 178.43 1iku s ILE 133 N -4.20 4.12 0.68 -0.10 1.01 -0.86 -4.69 121.20 117.16 1iku s ILE 133 Ca -0.05 0.92 -0.17 0.00 0.00 0.00 0.00 60.65 61.36 1iku s ILE 133 Cb 0.13 -4.67 -0.10 0.00 0.01 0.00 0.00 42.46 37.84 1iku s ILE 133 CO 0.42 -1.21 0.10 -0.24 0.00 0.00 0.00 174.94 174.00 1iku n SER 134 N 8.14 -2.78 0.29 3.58 2.88 -1.26 -4.68 113.62 119.80 1iku n SER 134 Ca 0.09 0.56 0.16 0.00 -1.33 0.00 0.00 58.87 58.35 1iku n SER 134 Cb 0.49 -1.02 0.86 0.00 -0.75 0.00 0.00 64.21 63.79 1iku n SER 134 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1iku h PRO 135 N -0.30 0.00 0.00 -1.46 0.10 -1.94 -2.34 132.00 126.06 1iku h PRO 135 Ca -0.44 0.00 -0.17 0.00 0.10 0.00 0.00 66.00 65.49 1iku h PRO 135 Cb 1.38 0.00 -0.03 0.00 0.10 0.00 0.00 31.00 32.45 1iku h PRO 135 CO 0.40 0.00 -1.00 0.93 0.10 0.00 0.00 178.00 178.43 1iku h GLU 136 N 0.00 0.00 0.00 1.05 5.08 -2.02 -3.33 114.58 115.36 1iku h GLU 136 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1iku h GLU 136 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1iku h GLU 136 CO 0.00 0.83 0.03 -0.25 -1.00 0.00 0.00 179.01 178.61 1iku n ASP 137 N -4.49 0.00 0.16 1.42 9.92 -0.92 -0.64 116.55 122.00 1iku n ASP 137 Ca -0.25 0.38 0.05 0.00 -0.53 0.00 0.00 54.79 54.43 1iku n ASP 137 Cb 0.58 -0.38 0.11 0.00 -0.64 0.00 0.00 41.12 40.79 1iku n ASP 137 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 1iku h THR 138 N 0.00 0.73 0.00 -3.53 2.02 -1.58 -3.11 112.91 107.45 1iku h THR 138 Ca 0.00 -1.92 -0.00 0.00 0.77 0.00 0.00 66.41 65.25 1iku h THR 138 Cb 0.05 2.28 -0.00 0.00 -1.74 0.00 0.00 68.15 68.74 1iku h THR 138 CO 0.00 0.40 -0.02 0.50 0.37 0.00 0.00 175.52 176.77 1iku h LYS 139 N 0.00 0.00 0.00 6.66 3.11 -1.07 -0.93 116.57 124.34 1iku h LYS 139 Ca -0.00 0.00 -0.08 0.00 -2.81 0.00 0.00 60.65 57.75 1iku h LYS 139 Cb 1.25 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.46 1iku h LYS 139 CO 0.05 0.02 -0.40 0.45 -2.81 0.00 0.00 179.45 176.76 1iku h HIS 140 N 0.00 0.00 -3.99 1.91 -0.00 -1.71 -3.44 115.15 107.91 1iku h HIS 140 Ca -0.00 0.00 -0.52 0.00 -0.00 0.00 0.00 60.37 59.85 1iku h HIS 140 Cb 0.12 0.00 0.08 0.00 -0.00 0.00 0.00 27.41 27.61 1iku h HIS 140 CO 0.00 0.40 0.54 -0.51 -0.00 0.00 0.00 177.93 178.35 1iku s LEU 141 N -7.31 4.06 0.17 2.43 1.43 -0.36 -4.92 118.68 114.19 1iku s LEU 141 Ca -0.01 2.47 -0.32 0.00 -1.03 0.00 0.00 54.13 55.24 1iku s LEU 141 Cb 0.12 -4.14 -0.11 0.00 0.03 0.00 0.00 46.19 42.09 1iku s LEU 141 CO 0.70 -0.97 1.78 -2.16 0.23 0.00 0.00 176.35 175.92 1iku s PRO 142 N -2.57 4.13 0.19 1.29 0.04 -1.26 -4.83 135.00 131.99 1iku s PRO 142 Ca 0.62 2.62 0.15 0.00 0.04 0.00 0.00 61.00 64.43 1iku s PRO 142 Cb -0.33 -3.30 0.77 0.00 0.04 0.00 0.00 34.50 31.68 1iku s PRO 142 CO 0.41 -0.80 1.47 0.39 0.04 0.00 0.00 177.00 178.51 1iku n GLU 143 N 4.73 0.10 0.29 4.56 1.02 -1.26 -1.49 120.64 128.59 1iku n GLU 143 Ca 0.17 0.53 0.19 0.00 -0.02 0.00 0.00 57.16 58.02 1iku n GLU 143 Cb 0.36 -1.77 0.88 0.00 -0.02 0.00 0.00 31.44 30.89 1iku n GLU 143 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1iku h ASP 144 N 0.00 0.00 0.00 1.62 3.32 -2.02 -3.36 116.42 115.97 1iku h ASP 144 Ca 0.00 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.90 1iku h ASP 144 Cb 0.09 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 39.51 1iku h ASP 144 CO 0.00 0.00 -0.23 -1.84 -1.72 0.00 0.00 179.24 175.45 1iku n GLU 145 N -3.04 0.50 -1.60 3.56 0.28 -0.56 -5.02 120.64 114.76 1iku n GLU 145 Ca -0.01 -1.25 -0.35 0.00 -0.16 0.00 0.00 57.16 55.39 1iku n GLU 145 Cb 0.21 -0.75 0.04 0.00 1.43 0.00 0.00 31.44 32.37 1iku n GLU 145 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 1iku n ASN 146 N 1.16 7.40 -3.85 -1.84 0.23 -1.13 -4.56 115.26 112.67 1iku n ASN 146 Ca 0.03 -3.69 -0.12 0.00 -0.53 0.00 0.00 54.58 50.27 1iku n ASN 146 Cb 0.69 -1.06 -0.12 0.00 -2.08 0.00 0.00 39.78 37.22 1iku n ASN 146 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 1iku s THR 147 N -4.46 0.04 -0.69 5.53 -1.32 -1.26 -5.00 115.64 108.48 1iku s THR 147 Ca 0.56 -0.30 0.02 0.00 -1.21 0.00 0.00 61.69 60.76 1iku s THR 147 Cb 0.44 -0.28 0.02 0.00 -1.51 0.00 0.00 72.50 71.17 1iku s THR 147 CO -0.23 -0.16 0.94 -0.81 -2.21 0.00 0.00 174.62 172.14 1iku n PRO 148 N 2.39 0.01 -0.06 7.08 -0.04 -1.26 -1.55 135.00 141.56 1iku n PRO 148 Ca -0.17 0.40 -0.20 0.00 -0.04 0.00 0.00 63.50 63.50 1iku n PRO 148 Cb 0.58 -1.66 -0.13 0.00 -0.04 0.00 0.00 33.50 32.25 1iku n PRO 148 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1iku h GLU 149 N 0.00 0.08 0.00 0.54 5.08 -1.95 -2.71 114.58 115.61 1iku h GLU 149 Ca 0.00 -0.13 -0.05 0.00 -1.00 0.00 0.00 59.36 58.18 1iku h GLU 149 Cb 0.25 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1iku h GLU 149 CO 0.00 1.06 -0.22 0.87 -1.00 0.00 0.00 179.01 179.72 1iku h LYS 150 N -0.77 0.00 0.01 2.33 1.57 -1.61 -0.95 116.57 117.15 1iku h LYS 150 Ca -0.26 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.46 1iku h LYS 150 Cb 1.39 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.70 1iku h LYS 150 CO -0.08 0.22 -0.24 -0.09 -0.57 0.00 0.00 179.45 178.69 1iku h ARG 151 N 0.00 0.15 0.00 3.15 9.65 -1.42 -2.87 114.38 123.04 1iku h ARG 151 Ca -0.00 -0.17 0.00 0.00 -1.10 0.00 0.00 59.98 58.71 1iku h ARG 151 Cb 0.86 0.05 0.00 0.00 -1.39 0.00 0.00 29.97 29.50 1iku h ARG 151 CO 0.03 0.94 0.00 0.00 2.80 0.00 0.00 179.97 183.74 1iku h ALA 152 N 0.21 1.00 0.30 2.80 0.00 -1.46 -2.87 119.26 119.24 1iku h ALA 152 Ca -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1iku h ALA 152 Cb 1.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1iku h ALA 152 CO 0.05 0.00 -0.14 0.93 0.00 0.00 0.00 179.25 180.08 1iku h GLU 153 N 0.00 -0.39 -0.71 0.00 5.08 -1.19 0.34 114.58 117.71 1iku h GLU 153 Ca 0.00 0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.45 1iku h GLU 153 Cb 0.71 0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.99 1iku h GLU 153 CO 0.00 -0.05 0.40 -0.22 -1.00 0.00 0.00 179.01 178.14 1iku h LYS 154 N -0.91 0.71 -0.33 2.33 3.64 -1.53 0.85 116.57 121.33 1iku h LYS 154 Ca -0.04 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.24 1iku h LYS 154 Cb 0.51 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 1iku h LYS 154 CO 0.07 0.47 0.00 0.82 -2.27 0.00 0.00 179.45 178.54 1iku h ILE 155 N 0.74 1.26 0.00 2.00 2.04 -1.52 -2.46 117.51 119.56 1iku h ILE 155 Ca 0.32 -0.95 0.00 0.00 1.00 0.00 0.00 64.86 65.22 1iku h ILE 155 Cb 0.20 1.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.50 1iku h ILE 155 CO -0.19 0.31 0.00 1.87 0.00 0.00 0.00 178.15 180.15 1iku n TRP 156 N -4.53 0.66 0.09 1.37 -0.00 0.12 -1.53 117.44 113.61 1iku n TRP 156 Ca -0.02 0.23 -0.22 0.00 -0.00 0.00 0.00 57.50 57.49 1iku n TRP 156 Cb 0.26 -0.87 -0.15 0.00 -0.00 0.00 0.00 31.31 30.55 1iku n TRP 156 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 177.69 178.47 1iku h GLY 157 N 3.32 0.48 0.96 5.87 0.00 0.12 -3.33 103.07 110.48 1iku h GLY 157 Ca 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 47.33 46.14 1iku h GLY 157 CO 0.00 1.04 -0.74 0.69 0.00 0.00 0.00 176.54 177.53 1iku n PHE 158 N -3.96 0.41 0.00 5.60 3.72 -1.01 -4.43 117.46 117.79 1iku n PHE 158 Ca -0.15 0.12 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 1iku n PHE 158 Cb 0.94 -0.54 0.00 0.00 -0.94 0.00 0.00 39.48 38.93 1iku n PHE 158 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1iku n PHE 159 N -2.00 0.00 0.00 1.38 3.72 -0.58 -4.89 117.46 115.08 1iku n PHE 159 Ca 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 1iku n PHE 159 Cb 0.43 -0.38 0.00 0.00 -0.94 0.00 0.00 39.48 38.59 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 -0.42 0.35 0.00 1.37 0.00 -1.26 -4.91 105.19 100.32 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 1.17 0.00 0.00 0.00 173.32 174.49 1iku n LYS 161 N 0.00 0.00 -0.36 1.61 3.00 -1.26 -5.02 118.16 116.13 1iku n LYS 161 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 58.31 58.08 1iku n LYS 161 Cb 0.00 0.00 0.22 0.00 0.00 0.00 0.00 35.03 35.25 1iku n LYS 161 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1iku n LYS 162 N 0.00 -3.63 0.02 1.64 4.81 -1.26 -4.62 118.16 115.11 1iku n LYS 162 Ca 0.00 -1.08 -0.14 0.00 -0.87 0.00 0.00 58.31 56.23 1iku n LYS 162 Cb 0.00 -1.68 -0.02 0.00 0.02 0.00 0.00 35.03 33.34 1iku n LYS 162 CO 0.00 0.00 0.00 0.38 1.17 0.00 0.00 177.40 178.95 1iku h ASP 163 N -3.23 0.71 0.00 3.14 2.03 -2.01 -2.99 116.42 114.07 1iku h ASP 163 Ca -0.30 -0.47 0.00 0.00 -0.73 0.00 0.00 57.03 55.54 1iku h ASP 163 Cb 1.00 -0.21 0.00 0.00 -0.83 0.00 0.00 39.33 39.29 1iku h ASP 163 CO 0.18 1.24 0.00 -0.67 -1.03 0.00 0.00 179.24 178.96 1iku n ASP 164 N -3.88 0.02 -4.95 4.15 -0.08 -1.26 -4.64 116.55 105.91 1iku n ASP 164 Ca -0.06 -0.31 -0.21 0.00 -1.51 0.00 0.00 54.79 52.70 1iku n ASP 164 Cb 0.73 -0.01 0.01 0.00 2.34 0.00 0.00 41.12 44.19 1iku n ASP 164 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1iku s ASP 165 N -1.73 5.03 0.18 1.67 2.15 -1.13 -5.14 116.67 117.70 1iku s ASP 165 Ca 0.00 -0.87 -0.01 0.00 0.43 0.00 0.00 52.55 52.11 1iku s ASP 165 Cb 0.00 -0.07 -0.04 0.00 -0.30 0.00 0.00 42.92 42.51 1iku s ASP 165 CO 0.00 -0.98 0.10 -0.54 -0.17 0.00 0.00 175.17 173.57 1iku s LYS 166 N -4.35 1.13 -0.08 4.34 3.01 -1.26 -4.48 119.74 118.04 1iku s LYS 166 Ca 0.49 -1.58 0.05 0.00 -1.01 0.00 0.00 55.97 53.92 1iku s LYS 166 Cb -0.05 0.20 -0.01 0.00 -1.01 0.00 0.00 37.83 36.96 1iku s LYS 166 CO 0.30 -0.33 -0.23 -0.51 0.51 0.00 0.00 175.35 175.09 1iku s LEU 167 N -3.14 2.16 0.59 3.17 1.43 -0.52 -4.93 118.68 117.44 1iku s LEU 167 Ca 0.34 -0.51 -0.00 0.00 -1.03 0.00 0.00 54.13 52.93 1iku s LEU 167 Cb 0.07 -1.42 0.05 0.00 0.03 0.00 0.00 46.19 44.92 1iku s LEU 167 CO 0.09 0.20 0.83 0.42 0.23 0.00 0.00 176.35 178.12 1iku s THR 168 N 0.09 2.56 0.16 5.49 -4.23 -1.26 -1.90 115.64 116.54 1iku s THR 168 Ca -0.11 -0.60 -0.30 0.00 -1.18 0.00 0.00 61.69 59.50 1iku s THR 168 Cb -0.16 -2.95 -0.04 0.00 1.34 0.00 0.00 72.50 70.69 1iku s THR 168 CO 0.06 0.00 1.55 -0.33 -0.54 0.00 0.00 174.62 175.36 1iku h GLU 169 N -0.08 -0.19 0.48 3.99 5.08 -1.94 -0.34 114.58 121.57 1iku h GLU 169 Ca -0.42 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 57.93 1iku h GLU 169 Cb 1.30 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.60 1iku h GLU 169 CO 0.52 -0.13 -0.23 -0.22 -1.00 0.00 0.00 179.01 177.95 1iku h LYS 170 N -0.20 -0.62 -1.00 2.33 3.64 -1.95 -2.74 116.57 116.03 1iku h LYS 170 Ca 0.14 0.04 0.41 0.00 -1.27 0.00 0.00 60.65 59.97 1iku h LYS 170 Cb 0.53 0.14 -0.18 0.00 -0.41 0.00 0.00 32.23 32.31 1iku h LYS 170 CO -0.76 -0.31 0.51 1.49 -2.27 0.00 0.00 179.45 178.11 1iku h GLU 171 N -0.93 0.01 0.09 1.90 4.81 -1.84 0.71 114.58 119.34 1iku h GLU 171 Ca -0.07 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1iku h GLU 171 Cb 0.59 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.97 1iku h GLU 171 CO 0.11 0.01 -0.05 0.35 -0.73 0.00 0.00 179.01 178.70 1iku h PHE 172 N 0.01 -0.12 0.71 0.92 3.57 -0.96 0.11 116.94 121.18 1iku h PHE 172 Ca 0.83 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 62.29 1iku h PHE 172 Cb 2.16 0.04 0.01 0.00 2.79 0.00 0.00 35.95 40.95 1iku h PHE 172 CO -0.04 0.22 -0.34 0.82 -2.23 0.00 0.00 178.31 176.73 1iku h ILE 173 N -0.47 0.00 -0.95 1.41 1.08 0.46 -2.51 117.51 116.52 1iku h ILE 173 Ca -0.01 -0.10 0.28 0.00 -0.39 0.00 0.00 64.86 64.63 1iku h ILE 173 Cb 0.39 0.00 -0.04 0.00 -3.07 0.00 0.00 36.82 34.10 1iku h ILE 173 CO 0.02 0.00 0.69 -0.08 -0.69 0.00 0.00 178.15 178.09 1iku h GLU 174 N -1.06 0.01 -0.38 2.37 4.81 -0.19 0.44 114.58 120.58 1iku h GLU 174 Ca -0.10 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 1iku h GLU 174 Cb 0.74 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.10 1iku h GLU 174 CO 0.16 0.01 0.20 0.78 -0.73 0.00 0.00 179.01 179.43 1iku h GLY 175 N 0.01 0.56 1.28 1.92 0.00 -0.35 0.35 103.07 106.84 1iku h GLY 175 Ca 0.45 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.53 1iku h GLY 175 CO -0.01 0.25 -0.61 -0.91 0.00 0.00 0.00 176.54 175.26 1iku h THR 176 N 0.48 0.00 0.00 4.70 1.35 -0.50 -3.24 112.91 115.71 1iku h THR 176 Ca 0.13 -0.69 0.00 0.00 -0.55 0.00 0.00 66.41 65.30 1iku h THR 176 Cb 0.06 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 67.81 1iku h THR 176 CO -0.02 0.00 -0.70 0.18 -0.25 0.00 0.00 175.52 174.72 1iku n LEU 177 N -2.40 0.63 -0.07 3.87 7.99 0.13 -4.43 117.00 122.72 1iku n LEU 177 Ca 0.03 0.10 -0.05 0.00 -0.01 0.00 0.00 56.01 56.08 1iku n LEU 177 Cb 0.48 -0.17 -0.02 0.00 -0.11 0.00 0.00 43.42 43.60 1iku n LEU 177 CO 0.37 0.02 -0.38 0.00 -1.51 0.00 0.00 177.39 175.88 1iku n ALA 178 N -1.75 0.50 -2.57 -1.18 0.00 0.12 -4.95 120.51 110.69 1iku n ALA 178 Ca 0.03 -0.47 -0.32 0.00 0.00 0.00 0.00 53.44 52.68 1iku n ALA 178 Cb 0.41 0.02 -0.05 0.00 0.00 0.00 0.00 19.45 19.83 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 -5.61 6.58 0.23 0.00 -0.87 -1.22 -4.98 114.94 109.06 1iku s ASN 179 Ca -0.16 0.75 0.23 0.00 -1.57 0.00 0.00 52.86 52.10 1iku s ASN 179 Cb 0.02 -2.16 0.09 0.00 -0.02 0.00 0.00 41.25 39.19 1iku s ASN 179 CO 0.24 0.05 1.16 0.07 -2.57 0.00 0.00 177.10 176.05 1iku h LYS 180 N 2.98 0.00 0.22 -0.60 2.10 -1.90 -3.34 116.57 116.03 1iku h LYS 180 Ca -0.47 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.17 1iku h LYS 180 Cb 1.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.51 1iku h LYS 180 CO 0.70 0.00 -0.11 0.93 -2.00 0.00 0.00 179.45 178.97 1iku h GLU 181 N 0.00 -0.29 -0.96 0.07 5.08 -1.94 -1.69 114.58 114.85 1iku h GLU 181 Ca 0.00 0.02 0.30 0.00 -1.00 0.00 0.00 59.36 58.68 1iku h GLU 181 Cb 0.97 0.07 -0.16 0.00 0.50 0.00 0.00 28.75 30.13 1iku h GLU 181 CO 0.00 -0.19 0.37 0.82 -1.00 0.00 0.00 179.01 179.01 1iku h ILE 182 N -0.35 0.21 0.15 3.13 2.04 -1.89 0.38 117.51 121.18 1iku h ILE 182 Ca -0.03 -0.06 0.01 0.00 1.00 0.00 0.00 64.86 65.78 1iku h ILE 182 Cb 0.23 0.01 -0.03 0.00 -0.74 0.00 0.00 36.82 36.29 1iku h ILE 182 CO 0.05 0.03 -0.26 0.25 0.00 0.00 0.00 178.15 178.22 1iku h LEU 183 N 0.18 -0.74 -2.08 1.44 5.85 -1.66 0.67 115.31 118.97 1iku h LEU 183 Ca 0.67 0.08 0.00 0.00 0.84 0.00 0.00 57.88 59.47 1iku h LEU 183 Cb 1.51 0.28 0.00 0.00 0.37 0.00 0.00 40.66 42.82 1iku h LEU 183 CO -0.70 -0.36 0.11 -0.09 -0.34 0.00 0.00 178.44 177.06 1iku h ARG 184 N -0.49 0.00 0.00 1.25 2.43 0.70 0.21 114.38 118.48 1iku h ARG 184 Ca 0.02 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1iku h ARG 184 Cb 0.50 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 1iku h ARG 184 CO -0.13 0.00 -1.77 1.28 -1.51 0.00 0.00 179.97 177.84 1iku n LEU 185 N -2.68 0.19 -0.07 3.80 4.77 0.32 -4.22 117.00 119.11 1iku n LEU 185 Ca -0.02 0.03 -0.07 0.00 -0.03 0.00 0.00 56.01 55.92 1iku n LEU 185 Cb 0.16 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.20 1iku n LEU 185 CO 0.14 -0.02 -0.24 -0.29 -1.33 0.00 0.00 177.39 175.66 1iku h ILE 186 N 0.00 0.26 0.00 -0.08 -0.00 0.33 -3.34 117.51 114.68 1iku h ILE 186 Ca 0.00 -1.27 0.00 0.00 -0.00 0.00 0.00 64.86 63.59 1iku h ILE 186 Cb 0.97 0.57 0.00 0.00 -0.00 0.00 0.00 36.82 38.36 1iku h ILE 186 CO 0.00 0.09 0.00 0.00 -0.00 0.00 0.00 178.15 178.24 1iku n GLN 187 N -4.63 0.86 0.00 2.19 10.64 -0.44 -4.84 117.38 121.16 1iku n GLN 187 Ca -0.09 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.08 1iku n GLN 187 Cb 0.28 -1.07 0.00 0.00 -0.86 0.00 0.00 30.24 28.59 1iku n GLN 187 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 1iku n PHE 188 N 0.79 0.00 1.99 2.61 7.35 -1.26 -4.84 117.46 124.11 1iku n PHE 188 Ca 0.00 0.00 0.16 0.00 -0.76 0.00 0.00 57.45 56.85 1iku n PHE 188 Cb 0.43 0.00 0.94 0.00 0.35 0.00 0.00 39.48 41.21 1iku n PHE 188 CO 0.00 0.00 0.00 -1.91 -0.76 0.00 0.00 176.76 174.09