#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iku n ASN 3 N 0.00 0.00 0.04 1.61 5.15 -1.26 -4.93 115.26 115.87 1iku n ASN 3 Ca 0.00 -0.52 -0.20 0.00 -0.60 0.00 0.00 54.58 53.27 1iku n ASN 3 Cb 0.00 0.00 -0.14 0.00 -0.53 0.00 0.00 39.78 39.11 1iku n ASN 3 CO 0.00 0.00 0.00 0.77 1.40 0.00 0.00 177.26 179.43 1iku h SER 4 N 0.00 0.45 0.02 1.20 4.64 -2.01 -3.31 113.55 114.53 1iku h SER 4 Ca 0.00 -0.77 -0.00 0.00 -0.47 0.00 0.00 61.79 60.55 1iku h SER 4 Cb 0.00 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 61.95 1iku h SER 4 CO 0.00 1.67 -0.00 0.11 -0.87 0.00 0.00 176.83 177.74 1iku h LYS 5 N 0.08 0.00 0.00 4.77 1.57 -2.01 0.13 116.57 121.11 1iku h LYS 5 Ca -0.34 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 1iku h LYS 5 Cb 2.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.36 1iku h LYS 5 CO 0.14 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.68 1iku h SER 6 N 0.00 0.00 0.86 0.86 4.64 -1.94 -1.69 113.55 116.28 1iku h SER 6 Ca -0.00 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.12 1iku h SER 6 Cb 0.01 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.08 1iku h SER 6 CO 0.00 0.00 -0.94 1.23 -0.87 0.00 0.00 176.83 176.25 1iku h GLY 7 N 3.03 0.05 0.01 -0.77 0.00 -0.90 -3.21 103.07 101.28 1iku h GLY 7 Ca 0.00 -0.11 -0.11 0.00 0.00 0.00 0.00 47.33 47.11 1iku h GLY 7 CO 0.00 0.10 -0.60 0.00 0.00 0.00 0.00 176.54 176.04 1iku h ALA 8 N 1.03 0.12 -1.25 3.60 0.00 -1.54 -3.10 119.26 118.12 1iku h ALA 8 Ca -0.02 -0.83 0.38 0.00 0.00 0.00 0.00 54.91 54.43 1iku h ALA 8 Cb 1.64 0.35 -0.11 0.00 0.00 0.00 0.00 17.79 19.67 1iku h ALA 8 CO 0.13 0.34 0.82 -0.07 0.00 0.00 0.00 179.25 180.46 1iku h LEU 9 N -0.98 0.28 0.00 0.00 3.38 -1.43 0.24 115.31 116.79 1iku h LEU 9 Ca -0.16 0.10 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 1iku h LEU 9 Cb 1.16 0.08 0.01 0.00 0.09 0.00 0.00 40.66 41.99 1iku h LEU 9 CO -0.09 -0.08 -0.24 0.77 0.09 0.00 0.00 178.44 178.88 1iku h SER 10 N 0.17 0.21 -0.83 -0.43 4.64 -1.66 -2.75 113.55 112.90 1iku h SER 10 Ca 0.74 -0.79 0.17 0.00 -0.47 0.00 0.00 61.79 61.43 1iku h SER 10 Cb 2.26 -0.06 -0.10 0.00 -0.31 0.00 0.00 62.40 64.19 1iku h SER 10 CO -0.33 0.97 0.38 0.50 -0.87 0.00 0.00 176.83 177.48 1iku h LYS 11 N -0.53 0.48 -0.16 4.77 3.64 -0.50 0.25 116.57 124.53 1iku h LYS 11 Ca -0.03 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.28 1iku h LYS 11 Cb 1.01 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.72 1iku h LYS 11 CO 0.05 0.32 -0.06 0.93 -2.27 0.00 0.00 179.45 178.42 1iku h GLU 12 N 0.50 0.33 0.23 1.90 5.08 -1.35 -1.83 114.58 119.44 1iku h GLU 12 Ca 0.48 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.69 1iku h GLU 12 Cb 0.76 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1iku h GLU 12 CO -0.43 0.63 -0.11 0.82 -1.00 0.00 0.00 179.01 178.92 1iku h ILE 13 N 0.02 0.00 -1.11 3.13 2.04 -0.93 -2.74 117.51 117.92 1iku h ILE 13 Ca 0.04 -0.06 0.31 0.00 1.00 0.00 0.00 64.86 66.15 1iku h ILE 13 Cb 0.52 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.50 1iku h ILE 13 CO 0.02 0.00 0.71 -0.07 0.00 0.00 0.00 178.15 178.81 1iku h LEU 14 N -0.36 0.38 -0.23 1.44 3.38 -0.68 0.11 115.31 119.35 1iku h LEU 14 Ca -0.03 0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.05 1iku h LEU 14 Cb 0.23 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1iku h LEU 14 CO 0.05 0.02 0.08 -0.08 0.09 0.00 0.00 178.44 178.60 1iku h GLU 15 N 0.31 0.18 0.00 1.13 4.81 -1.25 -1.21 114.58 118.55 1iku h GLU 15 Ca 0.64 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.85 1iku h GLU 15 Cb 1.77 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 31.11 1iku h GLU 15 CO -0.31 0.12 -0.08 1.49 -0.73 0.00 0.00 179.01 179.50 1iku h GLU 16 N 0.19 0.00 -0.87 1.92 4.81 -0.47 -2.61 114.58 117.54 1iku h GLU 16 Ca 0.10 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1iku h GLU 16 Cb 0.07 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.45 1iku h GLU 16 CO -0.11 0.08 0.00 -0.11 -0.73 0.00 0.00 179.01 178.14 1iku n LEU 17 N -3.71 0.68 0.00 1.64 0.00 -0.46 -4.75 117.00 110.40 1iku n LEU 17 Ca -0.02 -0.34 0.00 0.00 0.00 0.00 0.00 56.01 55.65 1iku n LEU 17 Cb 0.18 -0.19 0.00 0.00 0.00 0.00 0.00 43.42 43.41 1iku n LEU 17 CO 0.29 0.13 0.00 1.67 0.00 0.00 0.00 177.39 179.48 1iku n GLN 18 N 0.51 0.00 -0.72 1.96 7.27 -0.98 -4.93 117.38 120.49 1iku n GLN 18 Ca 0.00 0.00 -0.32 0.00 0.07 0.00 0.00 57.00 56.75 1iku n GLN 18 Cb 0.13 0.00 0.15 0.00 2.41 0.00 0.00 30.24 32.94 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 0.72 -3.35 1.69 4.77 -1.26 -5.00 117.00 114.56 1iku n LEU 19 Ca 0.00 0.28 -0.10 0.00 -0.03 0.00 0.00 56.01 56.16 1iku n LEU 19 Cb 0.00 -1.28 -0.08 0.00 -2.33 0.00 0.00 43.42 39.73 1iku n LEU 19 CO 0.00 -3.05 -0.08 0.20 -1.33 0.00 0.00 177.39 173.13 1iku s ASN 20 N -2.25 0.47 0.56 -1.43 0.01 -1.26 -4.34 114.94 106.70 1iku s ASN 20 Ca 0.61 -0.02 0.34 0.00 -0.71 0.00 0.00 52.86 53.09 1iku s ASN 20 Cb -0.21 1.02 1.58 0.00 0.41 0.00 0.00 41.25 44.04 1iku s ASN 20 CO 0.64 -0.32 2.07 0.00 -1.51 0.00 0.00 177.10 177.98 1iku h THR 21 N 6.19 0.14 0.00 1.60 1.03 -1.94 -3.44 112.91 116.50 1iku h THR 21 Ca -0.16 -0.46 0.00 0.00 -0.01 0.00 0.00 66.41 65.78 1iku h THR 21 Cb 1.14 1.40 0.00 0.00 -1.07 0.00 0.00 68.15 69.62 1iku h THR 21 CO 0.28 0.04 0.00 1.17 -0.01 0.00 0.00 175.52 177.00 1iku n LYS 22 N -3.20 0.00 -2.77 0.00 4.81 -1.26 -4.90 118.16 110.84 1iku n LYS 22 Ca -0.01 0.00 -0.32 0.00 -0.87 0.00 0.00 58.31 57.12 1iku n LYS 22 Cb 0.25 -2.73 -0.04 0.00 0.02 0.00 0.00 35.03 32.53 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 -0.30 3.42 1.09 5.64 0.08 -1.26 -5.05 117.98 121.61 1iku s PHE 23 Ca 0.00 1.28 -0.13 0.00 0.12 0.00 0.00 56.93 58.21 1iku s PHE 23 Cb 0.00 -2.62 0.24 0.00 -0.57 0.00 0.00 43.02 40.07 1iku s PHE 23 CO 0.00 -0.15 1.06 0.99 -0.10 0.00 0.00 175.22 177.02 1iku s THR 24 N -2.35 2.05 -0.06 0.64 2.01 -1.26 -4.95 115.64 111.72 1iku s THR 24 Ca 0.56 0.02 -0.27 0.00 0.31 0.00 0.00 61.69 62.31 1iku s THR 24 Cb -0.10 -2.26 -0.22 0.00 0.01 0.00 0.00 72.50 69.93 1iku s THR 24 CO 0.26 -0.02 1.09 1.05 -0.69 0.00 0.00 174.62 176.31 1iku h GLU 25 N -2.31 0.01 -1.16 4.92 9.09 -1.97 -3.18 114.58 119.99 1iku h GLU 25 Ca -0.58 -0.01 0.33 0.00 0.05 0.00 0.00 59.36 59.15 1iku h GLU 25 Cb 1.33 0.00 -0.10 0.00 -1.65 0.00 0.00 28.75 28.33 1iku h GLU 25 CO 0.53 0.68 0.76 0.93 0.05 0.00 0.00 179.01 181.96 1iku h GLU 26 N -0.65 0.24 0.80 1.06 3.07 -1.93 -0.23 114.58 116.94 1iku h GLU 26 Ca -0.00 -0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 58.81 1iku h GLU 26 Cb 0.68 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.54 1iku h GLU 26 CO 0.00 0.16 -0.43 0.93 -1.40 0.00 0.00 179.01 178.27 1iku h GLU 27 N 0.24 -1.09 -0.84 2.33 4.39 -1.92 -2.22 114.58 115.47 1iku h GLU 27 Ca 0.67 0.07 0.18 0.00 0.34 0.00 0.00 59.36 60.62 1iku h GLU 27 Cb 1.96 0.25 -0.11 0.00 -0.10 0.00 0.00 28.75 30.75 1iku h GLU 27 CO -0.29 -0.73 0.36 -0.07 -1.16 0.00 0.00 179.01 177.12 1iku h LEU 28 N -1.13 0.34 -0.31 1.33 3.38 -1.12 0.70 115.31 118.50 1iku h LEU 28 Ca -0.11 0.13 0.07 0.00 0.09 0.00 0.00 57.88 58.06 1iku h LEU 28 Cb 0.89 0.10 -0.07 0.00 0.09 0.00 0.00 40.66 41.67 1iku h LEU 28 CO 0.15 0.08 -0.13 0.28 0.09 0.00 0.00 178.44 178.91 1iku h SER 29 N 0.46 -0.44 -0.07 -0.43 0.02 -1.04 0.46 113.55 112.51 1iku h SER 29 Ca 0.49 0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 61.54 1iku h SER 29 Cb 0.83 0.25 -0.00 0.00 0.14 0.00 0.00 62.40 63.62 1iku h SER 29 CO -0.46 -0.16 0.00 -1.28 -1.14 0.00 0.00 176.83 173.79 1iku h SER 30 N -0.07 0.12 -0.27 3.07 0.87 -0.48 -2.68 113.55 114.11 1iku h SER 30 Ca 0.16 -0.30 0.06 0.00 -1.23 0.00 0.00 61.79 60.48 1iku h SER 30 Cb 0.31 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.23 1iku h SER 30 CO -0.36 0.38 0.19 -0.25 -0.53 0.00 0.00 176.83 176.26 1iku h TRP 31 N -0.16 0.08 0.66 2.24 7.01 -0.48 -1.32 115.95 123.99 1iku h TRP 31 Ca 0.02 0.00 -0.03 0.00 2.11 0.00 0.00 58.89 60.99 1iku h TRP 31 Cb 0.32 -0.03 0.01 0.00 -2.10 0.00 0.00 29.16 27.36 1iku h TRP 31 CO 0.03 0.04 -0.32 -0.92 -2.79 0.00 0.00 178.44 174.49 1iku h TYR 32 N 0.08 -0.82 -0.33 2.65 3.20 0.23 0.35 116.97 122.33 1iku h TYR 32 Ca 0.12 -0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.99 1iku h TYR 32 Cb 0.39 0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.90 1iku h TYR 32 CO -0.00 -0.49 0.19 1.96 -1.64 0.00 0.00 178.16 178.18 1iku h GLN 33 N -1.18 0.37 -0.69 1.82 4.20 -1.25 0.15 115.11 118.53 1iku h GLN 33 Ca -0.09 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.54 1iku h GLN 33 Cb 0.70 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.37 1iku h GLN 33 CO 0.15 0.25 0.22 1.03 -0.67 0.00 0.00 178.83 179.81 1iku h SER 34 N 0.39 1.01 -0.36 1.46 0.87 -1.29 0.98 113.55 116.62 1iku h SER 34 Ca 0.13 -0.21 -0.11 0.00 -1.23 0.00 0.00 61.79 60.37 1iku h SER 34 Cb 0.01 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.70 1iku h SER 34 CO -0.07 0.95 -0.21 0.15 -0.53 0.00 0.00 176.83 177.12 1iku h PHE 35 N 1.02 0.90 0.00 2.24 3.57 0.07 -2.81 116.94 121.93 1iku h PHE 35 Ca 0.22 -0.24 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1iku h PHE 35 Cb 0.30 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 38.83 1iku h PHE 35 CO 0.02 0.98 -0.12 -0.07 -2.23 0.00 0.00 178.31 176.90 1iku h LEU 36 N 0.56 0.00 -0.36 0.59 3.38 -0.54 -2.90 115.31 116.05 1iku h LEU 36 Ca 0.07 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.90 1iku h LEU 36 Cb 0.77 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 1iku h LEU 36 CO 0.06 0.01 -0.27 0.11 0.09 0.00 0.00 178.44 178.43 1iku h LYS 37 N 0.00 0.82 -0.09 1.13 1.79 0.12 -3.06 116.57 117.28 1iku h LYS 37 Ca 0.00 -0.40 -0.20 0.00 -2.18 0.00 0.00 60.65 57.86 1iku h LYS 37 Cb 0.90 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.55 1iku h LYS 37 CO 0.00 1.04 -0.78 0.93 -1.08 0.00 0.00 179.45 179.56 1iku h GLU 38 N 0.61 0.55 -4.51 3.15 4.39 -1.53 -3.40 114.58 113.84 1iku h GLU 38 Ca 0.07 -0.47 -0.70 0.00 0.34 0.00 0.00 59.36 58.60 1iku h GLU 38 Cb 0.84 0.10 -0.31 0.00 -0.10 0.00 0.00 28.75 29.29 1iku h GLU 38 CO 0.07 1.09 -0.53 0.00 -1.16 0.00 0.00 179.01 178.49 1iku s PRO 40 N 1.32 1.46 0.00 0.00 0.02 -1.24 -2.30 135.00 134.25 1iku s PRO 40 Ca 0.03 1.46 0.00 0.00 0.02 0.00 0.00 61.00 62.51 1iku s PRO 40 Cb -0.22 -1.78 0.00 0.00 0.02 0.00 0.00 34.50 32.51 1iku s PRO 40 CO -0.00 -2.29 0.00 0.43 -0.33 0.00 0.00 177.00 174.81 1iku n SER 41 N -3.92 -2.35 -3.68 2.53 7.64 -1.26 -2.09 113.62 110.50 1iku n SER 41 Ca 0.11 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.77 1iku n SER 41 Cb 0.52 -2.14 0.04 0.00 -1.01 0.00 0.00 64.21 61.62 1iku n SER 41 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1iku n GLY 42 N -0.01 -0.34 3.57 0.23 0.00 -0.97 -4.04 105.19 103.63 1iku n GLY 42 Ca 0.00 0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 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 -5.97 3.69 0.16 1.61 0.52 -0.89 0.18 118.95 118.26 1iku s ARG 43 Ca 0.11 0.12 0.07 0.00 -0.52 0.00 0.00 55.73 55.52 1iku s ARG 43 Cb -0.05 -3.81 -0.04 0.00 0.52 0.00 0.00 34.95 31.56 1iku s ARG 43 CO 0.80 -0.78 -0.16 0.96 0.02 0.00 0.00 175.30 176.14 1iku s ILE 44 N 2.83 1.62 0.44 1.52 -4.36 -0.70 -4.86 121.20 117.69 1iku s ILE 44 Ca 0.26 -1.94 0.08 0.00 -0.26 0.00 0.00 60.65 58.80 1iku s ILE 44 Cb -0.14 -1.80 0.02 0.00 1.25 0.00 0.00 42.46 41.79 1iku s ILE 44 CO 0.15 -0.44 0.57 0.42 0.24 0.00 0.00 174.94 175.89 1iku s THR 45 N -2.37 2.81 0.23 8.37 -4.23 -1.26 -1.62 115.64 117.57 1iku s THR 45 Ca 0.15 -1.05 -0.06 0.00 -1.18 0.00 0.00 61.69 59.55 1iku s THR 45 Cb -0.04 -2.86 0.14 0.00 1.34 0.00 0.00 72.50 71.08 1iku s THR 45 CO 0.05 0.00 1.76 0.08 -0.54 0.00 0.00 174.62 175.98 1iku h ARG 46 N 0.63 1.08 -0.32 3.99 0.11 -1.97 0.10 114.38 118.00 1iku h ARG 46 Ca -0.39 -0.23 0.09 0.00 0.10 0.00 0.00 59.98 59.55 1iku h ARG 46 Cb 1.28 -0.16 -0.01 0.00 1.11 0.00 0.00 29.97 32.19 1iku h ARG 46 CO 0.46 0.93 0.25 0.37 0.10 0.00 0.00 179.97 182.08 1iku h GLN 47 N 1.03 0.00 0.00 0.08 4.15 -1.98 -0.30 115.11 118.09 1iku h GLN 47 Ca 0.22 0.00 -0.07 0.00 0.77 0.00 0.00 58.65 59.58 1iku h GLN 47 Cb 0.31 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.99 1iku h GLN 47 CO -0.01 0.00 -0.62 0.93 -1.93 0.00 0.00 178.83 177.20 1iku h GLU 48 N 0.00 0.00 -0.68 1.69 4.39 -1.65 -3.32 114.58 115.01 1iku h GLU 48 Ca 0.15 0.00 0.14 0.00 0.34 0.00 0.00 59.36 59.99 1iku h GLU 48 Cb 0.65 0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 29.18 1iku h GLU 48 CO -0.00 0.35 -0.10 0.35 -1.16 0.00 0.00 179.01 178.44 1iku h PHE 49 N -1.00 -0.24 -0.82 4.33 3.57 -0.62 0.25 116.94 122.40 1iku h PHE 49 Ca -0.10 0.06 0.18 0.00 3.53 0.00 0.00 57.97 61.64 1iku h PHE 49 Cb 0.70 0.21 -0.11 0.00 2.79 0.00 0.00 35.95 39.54 1iku h PHE 49 CO -0.07 -0.26 0.33 0.37 -2.23 0.00 0.00 178.31 176.46 1iku h GLN 50 N 0.04 0.41 -0.17 1.11 -0.00 -1.23 0.19 115.11 115.44 1iku h GLN 50 Ca 0.34 -0.02 -0.01 0.00 -0.00 0.00 0.00 58.65 58.96 1iku h GLN 50 Cb 0.55 -0.09 -0.01 0.00 0.00 0.00 0.00 27.48 27.93 1iku h GLN 50 CO -0.66 0.27 0.07 1.15 0.00 0.00 0.00 178.83 179.66 1iku h THR 51 N 0.42 1.15 -0.24 2.39 2.02 -0.64 -2.35 112.91 115.66 1iku h THR 51 Ca 0.48 -0.45 -0.01 0.00 0.77 0.00 0.00 66.41 67.19 1iku h THR 51 Cb 0.82 1.13 -0.01 0.00 -1.74 0.00 0.00 68.15 68.35 1iku h THR 51 CO -0.47 0.14 0.08 0.40 0.37 0.00 0.00 175.52 176.04 1iku h ILE 52 N 0.13 1.11 -0.02 3.11 2.04 -0.32 0.15 117.51 123.70 1iku h ILE 52 Ca 0.06 -0.34 -0.00 0.00 1.00 0.00 0.00 64.86 65.57 1iku h ILE 52 Cb 0.16 0.84 -0.00 0.00 -0.74 0.00 0.00 36.82 37.08 1iku h ILE 52 CO -0.01 0.13 0.01 0.22 0.00 0.00 0.00 178.15 178.50 1iku h TYR 53 N 0.33 0.03 -0.09 1.37 5.03 -0.20 -0.71 116.97 122.73 1iku h TYR 53 Ca 0.08 -0.00 -0.17 0.00 2.58 0.00 0.00 58.73 61.22 1iku h TYR 53 Cb 0.09 -0.01 0.01 0.00 1.55 0.00 0.00 36.73 38.37 1iku h TYR 53 CO 0.00 0.12 -0.60 0.77 -1.32 0.00 0.00 178.16 177.13 1iku h SER 54 N -0.06 0.69 -0.56 -2.11 0.02 -1.05 0.29 113.55 110.77 1iku h SER 54 Ca 0.01 -0.66 0.06 0.00 -0.84 0.00 0.00 61.79 60.36 1iku h SER 54 Cb 0.10 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.40 1iku h SER 54 CO -0.00 1.24 0.38 0.50 -1.14 0.00 0.00 176.83 177.81 1iku h LYS 55 N 0.18 0.50 0.04 3.45 3.64 -0.66 -2.47 116.57 121.25 1iku h LYS 55 Ca -0.05 -0.03 -0.27 0.00 -1.27 0.00 0.00 60.65 59.03 1iku h LYS 55 Cb 1.25 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.93 1iku h LYS 55 CO 0.12 0.33 -1.49 0.74 -2.27 0.00 0.00 179.45 176.88 1iku h PHE 56 N 0.51 0.16 -3.32 1.91 -1.00 -1.09 -3.43 116.94 110.68 1iku h PHE 56 Ca 0.25 -0.12 -0.64 0.00 2.81 0.00 0.00 57.97 60.27 1iku h PHE 56 Cb 0.31 -0.01 -0.41 0.00 3.61 0.00 0.00 35.95 39.46 1iku h PHE 56 CO -0.00 1.59 -0.63 -0.06 -1.61 0.00 0.00 178.31 177.60 1iku s PHE 57 N -2.43 3.20 0.00 -0.55 0.08 0.10 -4.06 117.98 114.33 1iku s PHE 57 Ca -0.27 -3.18 0.00 0.00 0.12 0.00 0.00 56.93 53.60 1iku s PHE 57 Cb 0.06 -2.77 0.00 0.00 -0.57 0.00 0.00 43.02 39.74 1iku s PHE 57 CO 0.65 -0.71 0.21 -0.35 -0.10 0.00 0.00 175.22 174.92 1iku n PRO 58 N 2.95 0.00 0.22 0.24 -0.05 -0.94 -3.52 135.00 133.89 1iku n PRO 58 Ca 0.07 0.00 0.12 0.00 -0.05 0.00 0.00 63.50 63.64 1iku n PRO 58 Cb 0.33 -0.65 0.43 0.00 -0.05 0.00 0.00 33.50 33.55 1iku n PRO 58 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 175.50 176.94 1iku h GLU 59 N 0.00 0.00 -0.31 0.54 4.57 -1.95 -0.54 114.58 116.89 1iku h GLU 59 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1iku h GLU 59 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1iku h GLU 59 CO 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 179.01 177.83 1iku n ALA 60 N -1.84 1.47 -1.46 2.92 0.00 -1.23 -4.90 120.51 115.46 1iku n ALA 60 Ca 0.04 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.66 1iku n ALA 60 Cb 0.84 -1.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.20 1iku n ALA 60 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1iku n ASP 61 N 0.34 -8.40 -0.29 0.00 9.92 -0.21 -3.41 116.55 114.50 1iku n ASP 61 Ca 0.00 1.25 0.01 0.00 -0.53 0.00 0.00 54.79 55.51 1iku n ASP 61 Cb 0.08 -4.87 0.14 0.00 -0.64 0.00 0.00 41.12 35.83 1iku n ASP 61 CO 0.00 0.00 0.00 -0.65 0.13 0.00 0.00 177.20 176.68 1iku h PRO 62 N -1.42 0.86 -1.36 -0.24 0.10 -1.88 -3.39 132.00 124.67 1iku h PRO 62 Ca -0.14 -0.05 -0.18 0.00 0.10 0.00 0.00 66.00 65.73 1iku h PRO 62 Cb 1.39 -0.19 -0.24 0.00 0.10 0.00 0.00 31.00 32.06 1iku h PRO 62 CO 0.06 0.57 -0.54 0.15 0.10 0.00 0.00 178.00 178.34 1iku s LYS 63 N -6.06 0.75 0.00 1.05 1.02 -1.26 -4.71 119.74 110.53 1iku s LYS 63 Ca -0.13 -0.49 0.00 0.00 0.02 0.00 0.00 55.97 55.37 1iku s LYS 63 Cb 0.18 -0.21 0.00 0.00 -0.52 0.00 0.00 37.83 37.28 1iku s LYS 63 CO 0.78 -1.19 0.00 0.00 -0.92 0.00 0.00 175.35 174.02 1iku n ALA 64 N 4.35 0.00 -0.03 5.17 0.00 -1.22 -4.48 120.51 124.30 1iku n ALA 64 Ca 0.11 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.54 1iku n ALA 64 Cb 0.52 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.97 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 -1.97 -3.32 116.97 114.88 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 0.00 0.74 0.00 -1.64 0.00 0.00 178.16 177.26 1iku h ALA 66 N -1.43 1.63 -1.32 1.82 0.00 -1.99 -1.50 119.26 116.48 1iku h ALA 66 Ca 0.00 0.00 0.45 0.00 0.00 0.00 0.00 54.91 55.36 1iku h ALA 66 Cb 0.07 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 17.72 1iku h ALA 66 CO 0.00 -0.63 0.84 0.37 0.00 0.00 0.00 179.25 179.83 1iku h GLN 67 N 0.00 0.05 0.03 0.00 4.15 -1.79 0.95 115.11 118.50 1iku h GLN 67 Ca 0.00 -0.00 -0.21 0.00 0.77 0.00 0.00 58.65 59.21 1iku h GLN 67 Cb 1.49 -0.01 0.02 0.00 0.21 0.00 0.00 27.48 29.18 1iku h GLN 67 CO 0.00 0.04 -0.83 1.25 -1.93 0.00 0.00 178.83 177.36 1iku h HIS 68 N 0.06 0.78 0.18 3.99 2.76 -1.55 -2.78 115.15 118.58 1iku h HIS 68 Ca 0.84 -0.44 0.00 0.00 -2.20 0.00 0.00 60.37 58.57 1iku h HIS 68 Cb 2.64 -0.08 -0.03 0.00 1.55 0.00 0.00 27.41 31.49 1iku h HIS 68 CO -0.01 1.28 -0.38 0.28 -1.30 0.00 0.00 177.93 177.80 1iku h VAL 69 N 0.06 0.00 0.24 5.26 2.07 0.71 0.93 116.25 125.52 1iku h VAL 69 Ca -0.11 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.41 1iku h VAL 69 Cb 1.53 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 1iku h VAL 69 CO 0.16 0.00 -0.29 0.15 0.02 0.00 0.00 177.57 177.62 1iku h PHE 70 N -0.62 -0.76 -1.20 1.57 3.57 -1.50 -0.70 116.94 117.30 1iku h PHE 70 Ca -0.02 0.01 0.34 0.00 3.53 0.00 0.00 57.97 61.83 1iku h PHE 70 Cb 0.59 0.30 -0.07 0.00 2.79 0.00 0.00 35.95 39.56 1iku h PHE 70 CO -0.35 -0.41 0.84 -0.09 -2.23 0.00 0.00 178.31 176.07 1iku h ARG 71 N -0.58 0.10 -0.41 1.11 1.12 -1.32 0.62 114.38 115.02 1iku h ARG 71 Ca -0.00 -0.01 -0.03 0.00 -1.11 0.00 0.00 59.98 58.83 1iku h ARG 71 Cb 0.55 -0.02 -0.02 0.00 -0.01 0.00 0.00 29.97 30.47 1iku h ARG 71 CO -0.09 0.07 0.14 1.03 -3.11 0.00 0.00 179.97 178.01 1iku h SER 72 N 0.10 0.59 0.17 -3.80 0.87 0.75 -3.31 113.55 108.93 1iku h SER 72 Ca 0.61 -0.19 -0.01 0.00 -1.23 0.00 0.00 61.79 60.97 1iku h SER 72 Cb 2.17 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 63.98 1iku h SER 72 CO -0.11 0.63 -0.08 -0.26 -0.53 0.00 0.00 176.83 176.48 1iku h PHE 73 N 0.53 -0.22 -1.23 2.24 0.04 0.41 -3.46 116.94 115.25 1iku h PHE 73 Ca 0.14 -0.01 -0.16 0.00 2.80 0.00 0.00 57.97 60.74 1iku h PHE 73 Cb 0.24 0.07 -0.06 0.00 2.20 0.00 0.00 35.95 38.40 1iku h PHE 73 CO 0.01 -0.14 -0.14 -3.47 -0.60 0.00 0.00 178.31 173.97 1iku n ASP 74 N -4.02 -2.60 -3.31 2.17 2.03 0.02 -3.16 116.55 107.68 1iku n ASP 74 Ca -0.03 0.19 -0.25 0.00 0.52 0.00 0.00 54.79 55.22 1iku n ASP 74 Cb 0.09 -2.40 0.03 0.00 -0.72 0.00 0.00 41.12 38.12 1iku n ASP 74 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1iku n ALA 75 N 0.17 -2.39 -0.65 -1.67 0.00 -1.26 -4.70 120.51 110.00 1iku n ALA 75 Ca -0.08 0.40 -0.31 0.00 0.00 0.00 0.00 53.44 53.45 1iku n ALA 75 Cb 0.30 -2.04 0.17 0.00 0.00 0.00 0.00 19.45 17.88 1iku n ALA 75 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1iku n ASN 76 N 0.15 -2.46 0.00 0.00 3.02 -1.19 -1.81 115.26 112.97 1iku n ASN 76 Ca -0.04 -0.17 0.00 0.00 -0.03 0.00 0.00 54.58 54.35 1iku n ASN 76 Cb 0.58 -0.93 0.00 0.00 -0.61 0.00 0.00 39.78 38.82 1iku n ASN 76 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1iku n SER 77 N -1.64 -2.46 -2.00 6.41 7.64 -1.26 -4.20 113.62 116.10 1iku n SER 77 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.89 1iku n SER 77 Cb 0.61 -2.53 0.00 0.00 -1.01 0.00 0.00 64.21 61.28 1iku n SER 77 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1iku n ASP 78 N -0.16 -8.38 0.00 6.43 2.03 -0.75 -5.03 116.55 110.69 1iku n ASP 78 Ca 0.00 1.38 0.00 0.00 0.52 0.00 0.00 54.79 56.69 1iku n ASP 78 Cb 0.21 -4.66 0.00 0.00 -0.72 0.00 0.00 41.12 35.94 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 1.67 -0.66 3.16 0.27 0.00 -1.24 -5.11 105.19 103.28 1iku n GLY 79 Ca 0.00 0.23 -0.15 0.00 0.00 0.00 0.00 46.02 46.09 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 0.96 0.20 2.61 -4.23 -1.26 -4.67 115.64 109.24 1iku s THR 80 Ca 0.00 -1.49 0.09 0.00 -1.18 0.00 0.00 61.69 59.11 1iku s THR 80 Cb 0.00 -1.20 -0.04 0.00 1.34 0.00 0.00 72.50 72.60 1iku s THR 80 CO 0.00 -0.44 -0.09 -1.48 -0.54 0.00 0.00 174.62 172.06 1iku s LEU 81 N -2.16 2.97 0.39 4.79 0.05 -0.64 -4.81 118.68 119.28 1iku s LEU 81 Ca 0.02 -0.61 -0.27 0.00 0.05 0.00 0.00 54.13 53.32 1iku s LEU 81 Cb -0.06 -1.63 -0.09 0.00 -2.05 0.00 0.00 46.19 42.36 1iku s LEU 81 CO 0.01 0.09 1.31 -1.81 -0.55 0.00 0.00 176.35 175.39 1iku s ASP 82 N -2.96 6.40 0.14 1.48 1.01 -1.26 -1.72 116.67 119.75 1iku s ASP 82 Ca 0.26 2.66 0.14 0.00 0.71 0.00 0.00 52.55 56.32 1iku s ASP 82 Cb -0.08 -2.64 -0.09 0.00 1.01 0.00 0.00 42.92 41.12 1iku s ASP 82 CO 0.16 -0.79 1.10 0.15 0.21 0.00 0.00 175.17 175.99 1iku h PHE 83 N 2.81 0.00 -0.04 4.23 3.57 0.18 -3.29 116.94 124.40 1iku h PHE 83 Ca -0.49 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 60.97 1iku h PHE 83 Cb 1.24 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.98 1iku h PHE 83 CO 0.54 0.66 -0.10 0.87 -2.23 0.00 0.00 178.31 178.05 1iku h LYS 84 N 0.00 0.14 -0.91 1.11 1.57 -1.84 -2.05 116.57 114.59 1iku h LYS 84 Ca -0.10 -0.09 0.12 0.00 -1.87 0.00 0.00 60.65 58.71 1iku h LYS 84 Cb 1.59 0.01 -0.08 0.00 0.08 0.00 0.00 32.23 33.83 1iku h LYS 84 CO 0.07 0.69 0.53 0.93 -0.57 0.00 0.00 179.45 181.11 1iku h GLU 85 N -0.40 0.81 0.13 3.15 5.08 -1.96 0.14 114.58 121.53 1iku h GLU 85 Ca -0.00 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1iku h GLU 85 Cb 0.69 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1iku h GLU 85 CO 0.02 0.53 -0.06 -0.92 -1.00 0.00 0.00 179.01 177.58 1iku h TYR 86 N 0.83 -0.16 -1.01 4.33 5.03 -1.61 -1.60 116.97 122.78 1iku h TYR 86 Ca 0.46 -0.00 0.12 0.00 2.58 0.00 0.00 58.73 61.89 1iku h TYR 86 Cb 0.50 0.05 -0.08 0.00 1.55 0.00 0.00 36.73 38.75 1iku h TYR 86 CO -0.04 0.19 0.63 0.28 -1.32 0.00 0.00 178.16 177.90 1iku h VAL 87 N -0.53 0.92 0.48 1.81 2.07 -0.72 0.70 116.25 120.98 1iku h VAL 87 Ca -0.02 -0.34 -0.02 0.00 0.82 0.00 0.00 66.70 67.14 1iku h VAL 87 Cb 0.42 -0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.03 1iku h VAL 87 CO 0.03 0.18 -0.23 0.40 0.02 0.00 0.00 177.57 177.97 1iku h ILE 88 N 1.00 0.39 0.00 4.57 2.04 -0.66 0.14 117.51 124.99 1iku h ILE 88 Ca 0.50 -0.45 0.00 0.00 1.00 0.00 0.00 64.86 65.91 1iku h ILE 88 Cb 0.49 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 37.11 1iku h ILE 88 CO -0.27 0.06 0.10 0.00 0.00 0.00 0.00 178.15 178.04 1iku h ALA 89 N -0.66 1.09 0.00 1.87 0.00 -0.90 -2.86 119.26 117.79 1iku h ALA 89 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1iku h ALA 89 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1iku h ALA 89 CO 0.11 -0.09 -0.06 1.25 0.00 0.00 0.00 179.25 180.46 1iku h LEU 90 N 0.00 0.00 -0.03 0.00 7.12 -0.40 -3.41 115.31 118.59 1iku h LEU 90 Ca 0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 1iku h LEU 90 Cb 0.20 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 40.32 1iku h LEU 90 CO 0.00 0.21 -0.02 1.41 -0.13 0.00 0.00 178.44 179.91 1iku n HIS 91 N -3.02 -0.01 0.00 1.25 8.25 0.46 -4.46 115.22 117.69 1iku n HIS 91 Ca -0.01 0.03 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 1iku n HIS 91 Cb 0.03 -0.39 0.00 0.00 1.12 0.00 0.00 29.99 30.75 1iku n HIS 91 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 1iku n MET 92 N -2.85 2.62 -2.84 -0.41 2.81 -1.15 -4.22 117.12 111.08 1iku n MET 92 Ca 0.00 0.00 -0.11 0.00 -1.81 0.00 0.00 57.70 55.78 1iku n MET 92 Cb 0.01 0.00 -0.02 0.00 -0.71 0.00 0.00 33.22 32.50 1iku n MET 92 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 1iku n THR 93 N 0.00 0.00 0.00 2.03 5.66 -1.26 -4.66 114.28 116.05 1iku n THR 93 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1iku n THR 93 Cb 0.00 -0.12 0.00 0.00 -1.55 0.00 0.00 70.33 68.66 1iku n THR 93 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1iku n SER 94 N -1.57 0.00 0.00 1.09 7.64 -1.26 -5.03 113.62 114.49 1iku n SER 94 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.91 1iku n SER 94 Cb 0.44 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.64 1iku n SER 94 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1iku n ALA 95 N -3.00 0.00 0.00 -0.43 0.00 -1.26 -5.11 120.51 110.71 1iku n ALA 95 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1iku n ALA 95 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.08 0.45 3.69 0.00 0.00 -1.26 -4.96 105.19 103.04 1iku n GLY 96 Ca 0.00 -1.59 -0.30 0.00 0.00 0.00 0.00 46.02 44.13 1iku n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iku s LYS 97 N -2.00 0.97 0.00 1.61 -0.14 -1.26 -5.02 119.74 113.89 1iku s LYS 97 Ca 0.00 0.80 0.00 0.00 -1.36 0.00 0.00 55.97 55.41 1iku s LYS 97 Cb 0.00 -1.78 0.00 0.00 -1.68 0.00 0.00 37.83 34.37 1iku s LYS 97 CO 0.00 -2.44 0.00 2.41 -0.76 0.00 0.00 175.35 174.56 1iku n THR 98 N -4.02 0.00 0.06 2.17 -1.04 -1.26 -3.90 114.28 106.29 1iku n THR 98 Ca 0.07 0.31 0.02 0.00 -2.04 0.00 0.00 64.05 62.41 1iku n THR 98 Cb 0.55 -1.02 0.09 0.00 -1.82 0.00 0.00 70.33 68.14 1iku n THR 98 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 1iku n ASN 99 N -1.58 0.09 -0.01 8.00 6.94 -1.26 0.29 115.26 127.72 1iku n ASN 99 Ca 0.00 0.30 -0.11 0.00 -0.02 0.00 0.00 54.58 54.75 1iku n ASN 99 Cb 0.00 -0.27 0.02 0.00 -2.36 0.00 0.00 39.78 37.18 1iku n ASN 99 CO 0.00 0.00 0.00 -0.61 -1.03 0.00 0.00 177.26 175.62 1iku h GLN 100 N 0.00 0.63 0.00 -3.83 4.15 -1.96 -2.64 115.11 111.46 1iku h GLN 100 Ca 0.00 -0.41 -0.19 0.00 0.77 0.00 0.00 58.65 58.82 1iku h GLN 100 Cb 0.67 0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.38 1iku h GLN 100 CO 0.00 1.03 -1.42 0.87 -1.93 0.00 0.00 178.83 177.38 1iku h LYS 101 N 0.48 0.00 0.15 1.69 1.57 -0.29 -3.35 116.57 116.83 1iku h LYS 101 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1iku h LYS 101 Cb 1.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.45 1iku h LYS 101 CO 0.11 0.35 -0.07 -0.07 -0.57 0.00 0.00 179.45 179.20 1iku h LEU 102 N 0.00 -0.17 -0.88 2.94 3.38 -1.53 -2.25 115.31 116.80 1iku h LEU 102 Ca -0.18 0.01 0.04 0.00 0.09 0.00 0.00 57.88 57.84 1iku h LEU 102 Cb 1.66 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 42.45 1iku h LEU 102 CO 0.05 0.00 0.78 -0.08 0.09 0.00 0.00 178.44 179.28 1iku h GLU 103 N -0.45 0.00 0.03 1.13 4.81 -1.69 0.78 114.58 119.19 1iku h GLU 103 Ca -0.02 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.17 1iku h GLU 103 Cb 0.16 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.54 1iku h GLU 103 CO 0.03 0.00 -0.19 2.35 -0.73 0.00 0.00 179.01 180.47 1iku h TRP 104 N 0.00 0.13 -0.83 0.92 7.01 -1.67 -1.41 115.95 120.11 1iku h TRP 104 Ca 0.07 -0.09 0.00 0.00 2.11 0.00 0.00 58.89 60.98 1iku h TRP 104 Cb 1.62 -0.01 -0.04 0.00 -2.10 0.00 0.00 29.16 28.64 1iku h TRP 104 CO 0.00 1.07 0.52 0.00 -2.79 0.00 0.00 178.44 177.23 1iku h ALA 105 N 0.03 1.05 0.03 2.65 0.00 0.11 0.41 119.26 123.54 1iku h ALA 105 Ca -0.03 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1iku h ALA 105 Cb 1.15 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1iku h ALA 105 CO 0.04 0.49 -0.01 0.35 0.00 0.00 0.00 179.25 180.12 1iku h PHE 106 N 1.13 -0.04 0.00 0.00 3.04 -1.23 -2.46 116.94 117.38 1iku h PHE 106 Ca 0.30 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.24 1iku h PHE 106 Cb -0.08 0.01 -0.00 0.00 2.56 0.00 0.00 35.95 38.45 1iku h PHE 106 CO -0.01 0.36 -0.04 0.77 -2.02 0.00 0.00 178.31 177.37 1iku h SER 107 N -0.44 0.00 -0.36 0.41 0.02 -1.00 0.21 113.55 112.39 1iku h SER 107 Ca -0.00 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.83 1iku h SER 107 Cb 0.41 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 1iku h SER 107 CO 0.01 0.04 -0.19 0.25 -1.14 0.00 0.00 176.83 175.79 1iku h LEU 108 N 0.00 0.85 0.00 5.07 5.85 0.06 -2.86 115.31 124.28 1iku h LEU 108 Ca -0.00 -0.30 0.00 0.00 0.84 0.00 0.00 57.88 58.42 1iku h LEU 108 Cb 0.07 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 40.87 1iku h LEU 108 CO 0.00 1.03 -0.67 1.88 -0.34 0.00 0.00 178.44 180.34 1iku h TYR 109 N 0.74 0.00 -0.12 1.25 0.05 -0.78 -3.38 116.97 114.73 1iku h TYR 109 Ca 0.11 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.87 1iku h TYR 109 Cb 0.72 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.46 1iku h TYR 109 CO 0.04 0.00 0.06 0.34 -1.05 0.00 0.00 178.16 177.55 1iku s ASP 110 N -5.25 3.42 0.00 3.88 -1.08 0.63 -4.73 116.67 113.54 1iku s ASP 110 Ca 0.03 -0.94 0.00 0.00 -0.52 0.00 0.00 52.55 51.12 1iku s ASP 110 Cb 0.10 -2.60 0.00 0.00 -1.46 0.00 0.00 42.92 38.96 1iku s ASP 110 CO 0.74 -4.76 0.01 1.33 0.52 0.00 0.00 175.17 173.01 1iku n VAL 111 N 9.04 0.00 -3.11 1.11 0.24 -1.26 -4.60 118.33 119.75 1iku n VAL 111 Ca 0.42 0.10 0.03 0.00 -2.04 0.00 0.00 64.34 62.84 1iku n VAL 111 Cb 0.47 -0.28 -0.00 0.00 -1.47 0.00 0.00 33.84 32.55 1iku n VAL 111 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 1iku s ASP 112 N -1.18 -1.22 0.00 -1.34 -4.77 -1.26 -5.03 116.67 101.86 1iku s ASP 112 Ca 0.00 -0.23 0.00 0.00 -3.30 0.00 0.00 52.55 49.02 1iku s ASP 112 Cb 0.00 1.65 0.00 0.00 -1.09 0.00 0.00 42.92 43.48 1iku s ASP 112 CO 0.00 -0.18 0.00 0.61 0.70 0.00 0.00 175.17 176.30 1iku n GLY 113 N 4.76 -1.50 0.01 2.12 0.00 -1.26 -5.01 105.19 104.31 1iku n GLY 113 Ca 0.08 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.47 1iku n GLY 113 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1iku n ASN 114 N -2.31 0.00 -0.92 1.61 5.03 -1.26 -5.01 115.26 112.40 1iku n ASN 114 Ca 0.00 -1.00 -0.00 0.00 0.87 0.00 0.00 54.58 54.44 1iku n ASN 114 Cb 0.00 -0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 1iku n ASN 114 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1iku n GLY 115 N 0.00 0.57 3.04 7.41 0.00 -1.26 -5.04 105.19 109.91 1iku n GLY 115 Ca 0.00 -0.52 -0.09 0.00 0.00 0.00 0.00 46.02 45.40 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 0.12 0.42 2.61 -4.23 -1.26 -3.75 115.64 106.55 1iku s THR 116 Ca 0.00 -0.99 0.07 0.00 -1.18 0.00 0.00 61.69 59.58 1iku s THR 116 Cb -0.00 -0.55 -0.07 0.00 1.34 0.00 0.00 72.50 73.23 1iku s THR 116 CO 0.02 -0.55 0.05 -0.51 -0.54 0.00 0.00 174.62 173.09 1iku s ILE 117 N -1.92 1.99 0.30 2.99 2.07 -0.69 -4.90 121.20 121.03 1iku s ILE 117 Ca -0.11 -1.92 0.03 0.00 -1.41 0.00 0.00 60.65 57.23 1iku s ILE 117 Cb -0.06 -2.91 -0.06 0.00 0.13 0.00 0.00 42.46 39.57 1iku s ILE 117 CO -0.02 0.00 0.08 -0.94 -1.91 0.00 0.00 174.94 172.15 1iku s SER 118 N -3.78 1.87 0.11 4.50 1.04 -1.26 -2.30 113.70 113.88 1iku s SER 118 Ca 0.34 -1.39 -0.21 0.00 0.48 0.00 0.00 55.95 55.17 1iku s SER 118 Cb 0.08 0.05 -0.08 0.00 0.10 0.00 0.00 66.02 66.16 1iku s SER 118 CO 0.18 -0.67 1.75 0.50 0.98 0.00 0.00 173.24 175.97 1iku h LYS 119 N 2.22 0.11 -0.99 4.02 3.64 -1.89 -2.20 116.57 121.47 1iku h LYS 119 Ca -0.39 -0.01 0.35 0.00 -1.27 0.00 0.00 60.65 59.33 1iku h LYS 119 Cb 1.25 -0.02 -0.16 0.00 -0.41 0.00 0.00 32.23 32.88 1iku h LYS 119 CO 0.65 0.07 0.50 -0.91 -2.27 0.00 0.00 179.45 177.49 1iku h ASN 120 N 0.11 0.35 -0.29 4.20 4.21 -1.97 0.87 115.58 123.05 1iku h ASN 120 Ca 0.06 0.22 -0.08 0.00 1.21 0.00 0.00 56.30 57.71 1iku h ASN 120 Cb 0.04 0.22 -0.01 0.00 -1.12 0.00 0.00 38.32 37.45 1iku h ASN 120 CO -0.06 -0.26 -0.13 -0.33 -1.29 0.00 0.00 177.43 175.35 1iku h GLU 121 N 0.18 0.61 -0.82 0.81 5.08 -1.82 -2.62 114.58 116.00 1iku h GLU 121 Ca 0.76 -0.26 0.01 0.00 -1.00 0.00 0.00 59.36 58.86 1iku h GLU 121 Cb 1.82 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 31.01 1iku h GLU 121 CO -0.69 0.83 0.54 0.28 -1.00 0.00 0.00 179.01 178.98 1iku h VAL 122 N 0.36 1.21 -0.44 3.13 2.07 0.86 -1.88 116.25 121.57 1iku h VAL 122 Ca 0.07 -0.38 0.03 0.00 0.82 0.00 0.00 66.70 67.23 1iku h VAL 122 Cb 0.64 0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 1iku h VAL 122 CO 0.04 0.20 0.24 0.25 0.02 0.00 0.00 177.57 178.32 1iku h LEU 123 N 1.10 0.37 -0.33 2.57 5.85 -0.52 -1.26 115.31 123.10 1iku h LEU 123 Ca 0.30 0.01 0.05 0.00 0.84 0.00 0.00 57.88 59.08 1iku h LEU 123 Cb -0.12 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 40.80 1iku h LEU 123 CO -0.07 0.27 0.04 -0.33 -0.34 0.00 0.00 178.44 178.01 1iku h GLU 124 N 0.48 0.14 -0.30 1.25 5.08 -0.98 0.33 114.58 120.58 1iku h GLU 124 Ca 0.18 -0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.59 1iku h GLU 124 Cb 0.05 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.22 1iku h GLU 124 CO -0.10 0.09 -0.02 0.82 -1.00 0.00 0.00 179.01 178.81 1iku h ILE 125 N 0.15 0.76 -0.55 3.13 2.04 -1.03 0.14 117.51 122.15 1iku h ILE 125 Ca 0.16 -0.02 -0.02 0.00 1.00 0.00 0.00 64.86 65.97 1iku h ILE 125 Cb 0.19 0.68 -0.03 0.00 -0.74 0.00 0.00 36.82 36.93 1iku h ILE 125 CO -0.23 0.01 0.27 0.58 0.00 0.00 0.00 178.15 178.79 1iku h VAL 126 N 0.07 1.20 -0.79 1.67 2.07 -0.50 -2.63 116.25 117.33 1iku h VAL 126 Ca 0.15 -0.55 -0.04 0.00 0.82 0.00 0.00 66.70 67.07 1iku h VAL 126 Cb 0.20 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 30.48 1iku h VAL 126 CO -0.26 0.22 0.33 0.74 0.02 0.00 0.00 177.57 178.62 1iku h THR 127 N 0.75 1.26 0.24 2.57 2.02 0.26 0.21 112.91 120.22 1iku h THR 127 Ca 0.19 -0.81 0.01 0.00 0.77 0.00 0.00 66.41 66.57 1iku h THR 127 Cb 0.11 0.31 -0.04 0.00 -1.74 0.00 0.00 68.15 66.79 1iku h THR 127 CO -0.03 0.33 -0.44 0.00 0.37 0.00 0.00 175.52 175.76 1iku h ALA 128 N 1.17 -0.85 -0.24 6.16 0.00 -0.40 0.15 119.26 125.25 1iku h ALA 128 Ca 0.27 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1iku h ALA 128 Cb 0.20 0.69 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1iku h ALA 128 CO -0.02 -1.04 0.01 0.82 0.00 0.00 0.00 179.25 179.02 1iku h ILE 129 N -0.75 1.25 -0.53 0.00 2.04 -1.32 -2.30 117.51 115.89 1iku h ILE 129 Ca -0.01 -0.85 0.15 0.00 1.00 0.00 0.00 64.86 65.15 1iku h ILE 129 Cb 0.73 1.33 -0.02 0.00 -0.74 0.00 0.00 36.82 38.12 1iku h ILE 129 CO -0.18 0.27 0.42 0.15 0.00 0.00 0.00 178.15 178.81 1iku h PHE 130 N 0.20 0.00 -0.18 1.37 3.04 -0.32 0.14 116.94 121.19 1iku h PHE 130 Ca 0.07 0.00 -0.06 0.00 3.98 0.00 0.00 57.97 61.96 1iku h PHE 130 Cb 0.38 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 38.89 1iku h PHE 130 CO 0.03 0.00 -0.10 -0.22 -2.02 0.00 0.00 178.31 176.00 1iku h LYS 131 N 0.00 0.39 -1.00 1.11 1.63 -0.14 -2.81 116.57 115.75 1iku h LYS 131 Ca 0.25 -0.18 0.24 0.00 -0.85 0.00 0.00 60.65 60.12 1iku h LYS 131 Cb 1.09 -0.01 -0.09 0.00 -0.60 0.00 0.00 32.23 32.63 1iku h LYS 131 CO -0.00 0.70 0.65 0.52 -3.45 0.00 0.00 179.45 177.87 1iku h MET 132 N 0.07 0.43 -6.16 1.90 2.86 -0.51 -3.38 114.93 110.13 1iku h MET 132 Ca 0.04 -0.03 -0.57 0.00 -2.06 0.00 0.00 59.70 57.09 1iku h MET 132 Cb 0.60 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.16 1iku h MET 132 CO 0.03 0.28 1.35 0.42 1.06 0.00 0.00 176.91 180.05 1iku s ILE 133 N -5.51 3.13 0.89 -1.22 1.01 -1.06 -4.94 121.20 113.50 1iku s ILE 133 Ca -0.09 0.14 -0.10 0.00 0.00 0.00 0.00 60.65 60.60 1iku s ILE 133 Cb 0.25 -3.14 0.13 0.00 0.01 0.00 0.00 42.46 39.71 1iku s ILE 133 CO 0.79 -0.06 1.15 -0.55 0.00 0.00 0.00 174.94 176.27 1iku s SER 134 N 6.37 3.07 0.63 3.58 0.15 -1.26 -4.75 113.70 121.48 1iku s SER 134 Ca 0.92 2.19 0.32 0.00 0.70 0.00 0.00 55.95 60.09 1iku s SER 134 Cb -0.35 -2.57 1.77 0.00 -1.71 0.00 0.00 66.02 63.16 1iku s SER 134 CO 0.36 -3.01 1.99 -0.65 1.20 0.00 0.00 173.24 173.13 1iku h PRO 135 N -1.73 0.00 0.00 5.44 0.10 -1.92 -2.17 132.00 131.72 1iku h PRO 135 Ca -0.43 0.00 -0.14 0.00 0.10 0.00 0.00 66.00 65.52 1iku h PRO 135 Cb 1.27 0.00 -0.02 0.00 0.10 0.00 0.00 31.00 32.35 1iku h PRO 135 CO 0.42 0.00 -0.98 0.39 0.10 0.00 0.00 178.00 177.93 1iku n GLU 136 N -2.86 0.52 0.00 1.05 -0.58 -1.26 -3.98 120.64 113.52 1iku n GLU 136 Ca -0.02 0.55 0.00 0.00 -0.42 0.00 0.00 57.16 57.27 1iku n GLU 136 Cb 0.28 -1.72 0.00 0.00 -0.57 0.00 0.00 31.44 29.43 1iku n GLU 136 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1iku n ASP 137 N -4.50 0.00 0.23 1.62 2.03 -0.97 -0.43 116.55 114.52 1iku n ASP 137 Ca -0.22 0.41 0.12 0.00 0.52 0.00 0.00 54.79 55.62 1iku n ASP 137 Cb 0.51 -0.41 0.35 0.00 -0.72 0.00 0.00 41.12 40.85 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 0.21 0.00 5.18 1.35 -1.54 -2.91 112.91 115.20 1iku h THR 138 Ca 0.00 -1.04 0.00 0.00 -0.55 0.00 0.00 66.41 64.82 1iku h THR 138 Cb 0.14 1.88 0.00 0.00 -1.73 0.00 0.00 68.15 68.43 1iku h THR 138 CO 0.00 0.10 0.00 1.17 -0.25 0.00 0.00 175.52 176.54 1iku n LYS 139 N -3.16 0.70 -0.11 4.72 3.00 0.43 -3.15 118.16 120.58 1iku n LYS 139 Ca 0.02 0.00 -0.23 0.00 -0.00 0.00 0.00 58.31 58.10 1iku n LYS 139 Cb 0.48 -1.20 -0.11 0.00 0.00 0.00 0.00 35.03 34.19 1iku n LYS 139 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1iku n HIS 140 N -0.70 0.28 -1.33 5.64 8.25 -1.10 -4.98 115.22 121.29 1iku n HIS 140 Ca 0.07 0.08 -0.39 0.00 -0.26 0.00 0.00 57.72 57.23 1iku n HIS 140 Cb 0.03 -1.03 0.02 0.00 1.12 0.00 0.00 29.99 30.13 1iku n HIS 140 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1iku n LEU 141 N -3.78 -2.01 0.00 2.41 4.77 -1.19 -4.94 117.00 112.26 1iku n LEU 141 Ca -0.46 0.68 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 1iku n LEU 141 Cb 0.93 -0.97 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 1iku n LEU 141 CO 0.19 -4.14 0.00 -0.81 -1.33 0.00 0.00 177.39 171.30 1iku n PRO 142 N 0.92 1.28 -0.23 3.23 -0.04 -1.26 -4.90 135.00 134.00 1iku n PRO 142 Ca 0.09 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.67 1iku n PRO 142 Cb 0.47 0.00 0.23 0.00 -0.04 0.00 0.00 33.50 34.17 1iku n PRO 142 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1iku n GLU 143 N 0.00 2.53 -0.10 0.54 1.02 -1.26 -4.32 120.64 119.05 1iku n GLU 143 Ca 0.00 -2.35 -0.11 0.00 -0.02 0.00 0.00 57.16 54.68 1iku n GLU 143 Cb 0.00 -1.51 -0.13 0.00 -0.02 0.00 0.00 31.44 29.78 1iku n GLU 143 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1iku n ASP 144 N 1.47 1.00 -1.33 1.62 9.92 -1.26 -4.36 116.55 123.61 1iku n ASP 144 Ca 0.20 -0.04 0.06 0.00 -0.53 0.00 0.00 54.79 54.48 1iku n ASP 144 Cb 0.60 0.53 0.27 0.00 -0.64 0.00 0.00 41.12 41.88 1iku n ASP 144 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1iku n GLU 145 N -2.85 3.28 0.11 -1.24 -0.58 -1.26 -4.12 120.64 113.98 1iku n GLU 145 Ca -0.34 -2.15 0.14 0.00 -0.42 0.00 0.00 57.16 54.40 1iku n GLU 145 Cb 1.05 -1.84 0.34 0.00 -0.57 0.00 0.00 31.44 30.42 1iku n GLU 145 CO 0.00 0.00 0.00 -0.97 -0.48 0.00 0.00 177.13 175.68 1iku h ASN 146 N 2.95 0.00 -5.08 1.62 -0.73 -1.76 -3.40 115.58 109.17 1iku h ASN 146 Ca 0.00 0.00 -0.10 0.00 1.87 0.00 0.00 56.30 58.07 1iku h ASN 146 Cb 1.28 0.00 -0.17 0.00 0.27 0.00 0.00 38.32 39.71 1iku h ASN 146 CO 0.24 0.00 -0.37 0.42 -0.37 0.00 0.00 177.43 177.35 1iku s THR 147 N -4.23 0.11 0.57 -3.57 -4.23 -1.26 -5.01 115.64 98.01 1iku s THR 147 Ca -0.02 -0.90 0.26 0.00 -1.18 0.00 0.00 61.69 59.85 1iku s THR 147 Cb 0.08 -0.97 0.33 0.00 1.34 0.00 0.00 72.50 73.28 1iku s THR 147 CO 0.26 -0.50 2.22 1.55 -0.54 0.00 0.00 174.62 177.61 1iku h PRO 148 N 3.32 0.00 0.06 3.99 0.13 -1.94 0.13 132.00 137.69 1iku h PRO 148 Ca -0.32 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.62 1iku h PRO 148 Cb 1.19 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.34 1iku h PRO 148 CO 0.49 0.00 -0.77 0.93 -0.23 0.00 0.00 178.00 178.42 1iku h GLU 149 N 0.00 0.42 0.00 0.86 5.08 -1.95 -2.12 114.58 116.87 1iku h GLU 149 Ca 0.01 -0.53 -0.07 0.00 -1.00 0.00 0.00 59.36 57.77 1iku h GLU 149 Cb 0.04 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1iku h GLU 149 CO -0.00 1.19 -0.32 -0.22 -1.00 0.00 0.00 179.01 178.66 1iku h LYS 150 N -0.12 0.00 0.10 2.33 1.63 -1.66 -1.97 116.57 116.89 1iku h LYS 150 Ca -0.11 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.68 1iku h LYS 150 Cb 1.51 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.14 1iku h LYS 150 CO 0.15 0.32 -0.05 -0.09 -3.45 0.00 0.00 179.45 176.33 1iku h ARG 151 N 0.00 -0.13 0.00 1.90 9.65 -1.00 -2.84 114.38 121.96 1iku h ARG 151 Ca -0.00 0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1iku h ARG 151 Cb 0.74 0.03 -0.00 0.00 -1.39 0.00 0.00 29.97 29.35 1iku h ARG 151 CO 0.04 0.38 -0.02 0.00 2.80 0.00 0.00 179.97 183.17 1iku h ALA 152 N -0.13 1.11 0.06 2.80 0.00 -1.35 -2.15 119.26 119.60 1iku h ALA 152 Ca -0.01 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1iku h ALA 152 Cb 0.57 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1iku h ALA 152 CO 0.02 0.03 -0.03 1.49 0.00 0.00 0.00 179.25 180.76 1iku h GLU 153 N 0.00 -0.07 -0.08 0.00 4.22 -1.27 0.26 114.58 117.64 1iku h GLU 153 Ca -0.00 0.01 0.04 0.00 0.08 0.00 0.00 59.36 59.48 1iku h GLU 153 Cb 0.17 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.40 1iku h GLU 153 CO 0.00 0.25 -0.18 -0.22 -2.18 0.00 0.00 179.01 176.69 1iku h LYS 154 N -0.41 -0.24 -0.51 1.92 3.64 -1.15 1.92 116.57 121.74 1iku h LYS 154 Ca -0.01 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 1iku h LYS 154 Cb 0.36 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 1iku h LYS 154 CO 0.01 -0.16 0.30 0.82 -2.27 0.00 0.00 179.45 178.15 1iku h ILE 155 N -0.25 1.16 0.00 2.00 2.04 -1.47 -1.36 117.51 119.63 1iku h ILE 155 Ca 0.08 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.55 1iku h ILE 155 Cb 0.36 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 36.93 1iku h ILE 155 CO -0.22 0.17 0.00 1.87 0.00 0.00 0.00 178.15 179.97 1iku n TRP 156 N -4.67 0.00 0.09 1.37 -0.00 0.92 -2.12 117.44 113.04 1iku n TRP 156 Ca 0.02 0.00 -0.22 0.00 -0.00 0.00 0.00 57.50 57.30 1iku n TRP 156 Cb 0.06 -0.48 -0.15 0.00 -0.00 0.00 0.00 31.31 30.75 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 4.48 0.49 0.88 5.87 0.00 0.42 -3.34 103.07 111.86 1iku h GLY 157 Ca 0.00 -1.22 0.00 0.00 0.00 0.00 0.00 47.33 46.11 1iku h GLY 157 CO 0.00 1.07 -0.97 0.69 0.00 0.00 0.00 176.54 177.33 1iku n PHE 158 N -3.94 0.64 0.00 5.60 3.72 -1.02 -2.83 117.46 119.65 1iku n PHE 158 Ca -0.15 0.19 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 1iku n PHE 158 Cb 0.95 -0.73 0.00 0.00 -0.94 0.00 0.00 39.48 38.76 1iku n PHE 158 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1iku n PHE 159 N -2.34 0.00 -0.12 1.38 3.72 -0.90 -4.21 117.46 114.99 1iku n PHE 159 Ca 0.01 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.47 1iku n PHE 159 Cb 0.50 -0.48 0.14 0.00 -0.94 0.00 0.00 39.48 38.71 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 -0.78 2.50 1.48 1.37 0.00 -1.26 -4.94 105.19 103.56 1iku n GLY 160 Ca 0.00 -0.37 -0.06 0.00 0.00 0.00 0.00 46.02 45.59 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 0.53 -1.15 -3.83 1.61 3.00 -1.13 -4.84 118.16 112.35 1iku n LYS 161 Ca 0.11 0.36 -0.12 0.00 -0.00 0.00 0.00 58.31 58.66 1iku n LYS 161 Cb 0.41 -4.48 -0.11 0.00 0.00 0.00 0.00 35.03 30.85 1iku n LYS 161 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1iku s LYS 162 N -2.55 0.31 -0.03 1.64 -0.14 -1.26 -5.06 119.74 112.65 1iku s LYS 162 Ca 0.00 0.02 -0.09 0.00 -1.36 0.00 0.00 55.97 54.54 1iku s LYS 162 Cb 0.00 0.14 -0.05 0.00 -1.68 0.00 0.00 37.83 36.24 1iku s LYS 162 CO 0.00 -0.06 0.48 0.22 -0.76 0.00 0.00 175.35 175.24 1iku h ASP 163 N 5.29 -0.28 -0.23 2.83 1.82 -1.89 -3.34 116.42 120.63 1iku h ASP 163 Ca -0.27 0.01 -0.70 0.00 -0.39 0.00 0.00 57.03 55.68 1iku h ASP 163 Cb 1.20 0.07 -0.02 0.00 0.68 0.00 0.00 39.33 41.26 1iku h ASP 163 CO 0.40 0.02 3.36 0.47 -1.61 0.00 0.00 179.24 181.88 1iku n ASP 164 N -4.10 6.97 -3.45 2.28 9.92 -1.26 -4.86 116.55 122.04 1iku n ASP 164 Ca -0.04 -2.75 -0.21 0.00 -0.53 0.00 0.00 54.79 51.25 1iku n ASP 164 Cb 0.13 -1.56 -0.06 0.00 -0.64 0.00 0.00 41.12 38.98 1iku n ASP 164 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1iku n ASP 165 N 4.14 0.94 -4.17 -2.24 2.03 -1.26 -5.18 116.55 110.81 1iku n ASP 165 Ca 0.66 -2.87 -0.13 0.00 0.52 0.00 0.00 54.79 52.97 1iku n ASP 165 Cb 0.29 0.97 -0.10 0.00 -0.72 0.00 0.00 41.12 41.56 1iku n ASP 165 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1iku s LYS 166 N -3.32 1.26 -0.02 -0.67 1.02 -1.26 -4.55 119.74 112.20 1iku s LYS 166 Ca 0.20 -1.67 0.05 0.00 0.02 0.00 0.00 55.97 54.57 1iku s LYS 166 Cb 0.01 0.20 -0.01 0.00 -0.52 0.00 0.00 37.83 37.51 1iku s LYS 166 CO 0.14 -0.39 -0.17 -0.51 -0.92 0.00 0.00 175.35 173.50 1iku s LEU 167 N -3.19 2.00 0.33 3.17 1.43 -0.97 -4.90 118.68 116.55 1iku s LEU 167 Ca 0.39 -0.32 -0.06 0.00 -1.03 0.00 0.00 54.13 53.11 1iku s LEU 167 Cb 0.07 -0.91 -0.05 0.00 0.03 0.00 0.00 46.19 45.33 1iku s LEU 167 CO 0.13 0.20 0.62 0.42 0.23 0.00 0.00 176.35 177.94 1iku s THR 168 N -0.29 4.97 0.33 5.49 -4.23 -1.26 -1.71 115.64 118.94 1iku s THR 168 Ca 0.04 0.14 0.11 0.00 -1.18 0.00 0.00 61.69 60.80 1iku s THR 168 Cb -0.08 -3.75 0.33 0.00 1.34 0.00 0.00 72.50 70.34 1iku s THR 168 CO 0.00 -0.42 1.65 1.05 -0.54 0.00 0.00 174.62 176.36 1iku h GLU 169 N 1.41 0.26 0.23 3.99 4.11 -1.97 0.15 114.58 122.76 1iku h GLU 169 Ca -0.48 -0.02 -0.01 0.00 0.07 0.00 0.00 59.36 58.93 1iku h GLU 169 Cb 1.19 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1iku h GLU 169 CO 0.65 0.17 -0.11 0.87 0.07 0.00 0.00 179.01 180.66 1iku h LYS 170 N 0.27 -0.30 -1.07 1.06 1.57 -1.93 -2.89 116.57 113.28 1iku h LYS 170 Ca 0.68 0.02 0.36 0.00 -1.87 0.00 0.00 60.65 59.84 1iku h LYS 170 Cb 1.51 0.07 -0.15 0.00 0.08 0.00 0.00 32.23 33.74 1iku h LYS 170 CO -0.64 -0.20 0.63 0.93 -0.57 0.00 0.00 179.45 179.61 1iku h GLU 171 N -0.74 0.22 0.77 3.15 4.39 -1.80 0.25 114.58 120.82 1iku h GLU 171 Ca -0.03 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.62 1iku h GLU 171 Cb 0.24 -0.05 0.01 0.00 -0.10 0.00 0.00 28.75 28.85 1iku h GLU 171 CO 0.05 0.14 -0.37 0.35 -1.16 0.00 0.00 179.01 178.03 1iku h PHE 172 N 0.22 -0.96 0.14 4.33 3.57 -0.77 0.64 116.94 124.12 1iku h PHE 172 Ca 0.76 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 62.23 1iku h PHE 172 Cb 1.96 0.32 0.00 0.00 2.79 0.00 0.00 35.95 41.01 1iku h PHE 172 CO -0.01 -0.59 -0.07 0.82 -2.23 0.00 0.00 178.31 176.24 1iku h ILE 173 N -1.05 0.88 -0.46 1.41 5.03 -0.60 -2.05 117.51 120.67 1iku h ILE 173 Ca -0.11 -0.08 0.08 0.00 -0.12 0.00 0.00 64.86 64.63 1iku h ILE 173 Cb 0.79 0.93 -0.03 0.00 -3.03 0.00 0.00 36.82 35.49 1iku h ILE 173 CO 0.17 0.02 0.32 -0.08 -0.68 0.00 0.00 178.15 177.90 1iku h GLU 174 N -0.23 0.27 -0.55 2.37 4.81 -0.59 0.16 114.58 120.81 1iku h GLU 174 Ca -0.02 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1iku h GLU 174 Cb 0.18 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 1iku h GLU 174 CO 0.03 0.18 0.35 0.78 -0.73 0.00 0.00 179.01 179.62 1iku h GLY 175 N 0.27 0.79 0.06 1.92 0.00 0.10 0.61 103.07 106.83 1iku h GLY 175 Ca 0.21 -0.31 -0.00 0.00 0.00 0.00 0.00 47.33 47.23 1iku h GLY 175 CO -0.04 0.30 -0.01 -0.91 0.00 0.00 0.00 176.54 175.88 1iku h THR 176 N 0.74 1.19 -0.90 4.70 1.35 -0.97 -2.73 112.91 116.29 1iku h THR 176 Ca 0.20 -1.80 0.18 0.00 -0.55 0.00 0.00 66.41 64.44 1iku h THR 176 Cb -0.05 2.20 -0.11 0.00 -1.73 0.00 0.00 68.15 68.47 1iku h THR 176 CO -0.04 0.39 0.47 0.25 -0.25 0.00 0.00 175.52 176.34 1iku h LEU 177 N -0.97 0.55 0.15 3.87 6.46 -0.75 -3.06 115.31 121.56 1iku h LEU 177 Ca -0.00 0.11 -0.01 0.00 -0.12 0.00 0.00 57.88 57.86 1iku h LEU 177 Cb 0.66 0.03 0.00 0.00 -0.73 0.00 0.00 40.66 40.61 1iku h LEU 177 CO 0.00 0.18 -0.07 0.00 -0.62 0.00 0.00 178.44 177.93 1iku h ALA 178 N 1.62 -0.48 -2.70 1.25 0.00 -0.98 -3.43 119.26 114.54 1iku h ALA 178 Ca 0.52 -0.04 -0.57 0.00 0.00 0.00 0.00 54.91 54.82 1iku h ALA 178 Cb 0.83 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.63 1iku h ALA 178 CO -0.41 -0.46 0.07 -0.80 0.00 0.00 0.00 179.25 177.65 1iku s ASN 179 N -3.36 6.88 0.28 0.00 0.01 -1.03 -4.94 114.94 112.78 1iku s ASN 179 Ca -0.03 1.06 0.09 0.00 -0.71 0.00 0.00 52.86 53.27 1iku s ASN 179 Cb 0.00 -2.38 0.38 0.00 0.41 0.00 0.00 41.25 39.66 1iku s ASN 179 CO 0.09 -0.14 1.63 0.07 -1.51 0.00 0.00 177.10 177.24 1iku h LYS 180 N 6.90 0.07 0.19 -0.60 2.10 -1.85 -3.22 116.57 120.17 1iku h LYS 180 Ca -0.39 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.22 1iku h LYS 180 Cb 1.18 0.01 -0.03 0.00 -0.90 0.00 0.00 32.23 32.49 1iku h LYS 180 CO 0.76 0.63 -0.36 0.93 -2.00 0.00 0.00 179.45 179.41 1iku h GLU 181 N 0.06 -0.57 -0.89 0.07 3.07 -1.92 0.48 114.58 114.88 1iku h GLU 181 Ca -0.00 0.04 0.20 0.00 -0.50 0.00 0.00 59.36 59.10 1iku h GLU 181 Cb 1.03 0.13 -0.12 0.00 -0.84 0.00 0.00 28.75 28.95 1iku h GLU 181 CO 0.08 -0.38 0.42 0.82 -1.40 0.00 0.00 179.01 178.55 1iku h ILE 182 N -0.59 0.55 -0.14 3.13 2.04 -1.85 0.59 117.51 121.23 1iku h ILE 182 Ca -0.02 -0.16 -0.07 0.00 1.00 0.00 0.00 64.86 65.61 1iku h ILE 182 Cb 0.55 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 1iku h ILE 182 CO -0.13 0.09 -0.22 0.25 0.00 0.00 0.00 178.15 178.14 1iku h LEU 183 N 0.47 0.24 -0.01 1.44 5.85 -1.35 0.17 115.31 122.11 1iku h LEU 183 Ca 0.54 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 59.19 1iku h LEU 183 Cb 0.96 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.93 1iku h LEU 183 CO -0.48 0.47 0.00 0.54 -0.34 0.00 0.00 178.44 178.63 1iku n ARG 184 N -4.19 0.09 -0.09 1.25 5.12 0.19 -2.20 116.66 116.83 1iku n ARG 184 Ca -0.01 0.09 -0.11 0.00 -1.93 0.00 0.00 57.85 55.89 1iku n ARG 184 Cb 0.34 -1.61 -0.12 0.00 -1.16 0.00 0.00 32.46 29.91 1iku n ARG 184 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1iku n LEU 185 N -1.78 1.28 -0.03 0.55 4.77 -0.21 -4.67 117.00 116.91 1iku n LEU 185 Ca 0.06 -0.05 -0.04 0.00 -0.03 0.00 0.00 56.01 55.95 1iku n LEU 185 Cb 0.36 -0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 41.34 1iku n LEU 185 CO 0.28 0.60 0.12 -0.29 -1.33 0.00 0.00 177.39 176.77 1iku h ILE 186 N 0.00 0.41 -1.16 -0.08 -0.00 -0.77 -3.40 117.51 112.51 1iku h ILE 186 Ca -0.46 -1.25 -0.44 0.00 -0.00 0.00 0.00 64.86 62.71 1iku h ILE 186 Cb 1.91 0.77 -0.07 0.00 -0.00 0.00 0.00 36.82 39.43 1iku h ILE 186 CO -0.02 0.14 1.09 -1.58 -0.00 0.00 0.00 178.15 177.77 1iku s GLN 187 N -1.93 2.94 0.49 2.19 -0.44 -0.93 -4.93 119.66 117.05 1iku s GLN 187 Ca -0.05 -0.42 -0.20 0.00 -2.50 0.00 0.00 55.36 52.19 1iku s GLN 187 Cb -0.01 -4.98 -0.12 0.00 -1.64 0.00 0.00 33.01 26.26 1iku s GLN 187 CO 0.18 -2.81 0.36 0.34 0.50 0.00 0.00 175.29 173.86 1iku n PHE 188 N 11.81 -1.21 -0.82 1.67 7.35 -1.26 -4.80 117.46 130.19 1iku n PHE 188 Ca 0.32 0.52 0.00 0.00 -0.76 0.00 0.00 57.45 57.53 1iku n PHE 188 Cb 0.49 -1.90 0.00 0.00 0.35 0.00 0.00 39.48 38.43 1iku n PHE 188 CO 0.00 0.00 0.00 -1.91 -0.76 0.00 0.00 176.76 174.09