#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ioq s PRO 2 N 0.00 2.03 0.41 6.28 0.04 -1.26 -4.93 135.00 137.57 3ioq s PRO 2 Ca 0.00 1.30 0.22 0.00 0.04 0.00 0.00 61.00 62.56 3ioq s PRO 2 Cb 0.00 -1.86 0.78 0.00 0.04 0.00 0.00 34.50 33.45 3ioq s PRO 2 CO 0.00 -1.83 1.77 1.79 0.04 0.00 0.00 177.00 178.77 3ioq h THR 3 N -1.14 0.66 -3.63 1.26 1.35 -2.00 -3.44 112.91 105.97 3ioq h THR 3 Ca -0.44 -1.31 -0.14 0.00 -0.55 0.00 0.00 66.41 63.96 3ioq h THR 3 Cb 1.24 1.86 -0.20 0.00 -1.73 0.00 0.00 68.15 69.33 3ioq h THR 3 CO 0.49 0.28 -0.53 -0.94 -0.25 0.00 0.00 175.52 174.57 3ioq s SER 4 N -6.28 0.08 -0.02 5.36 1.04 -1.26 -3.59 113.70 109.03 3ioq s SER 4 Ca 0.01 -0.31 -0.09 0.00 0.48 0.00 0.00 55.95 56.04 3ioq s SER 4 Cb 0.10 0.19 0.01 0.00 0.10 0.00 0.00 66.02 66.43 3ioq s SER 4 CO 0.66 -0.38 0.20 -0.51 0.98 0.00 0.00 173.24 174.19 3ioq s ILE 5 N -1.61 0.06 -0.26 -1.02 2.07 -0.44 -4.96 121.20 115.04 3ioq s ILE 5 Ca -0.13 -0.47 -0.03 0.00 -1.41 0.00 0.00 60.65 58.61 3ioq s ILE 5 Cb -0.07 -0.45 0.11 0.00 0.13 0.00 0.00 42.46 42.18 3ioq s ILE 5 CO 0.00 -0.26 0.21 -0.62 -1.91 0.00 0.00 174.94 172.37 3ioq s ASP 6 N -1.01 2.27 0.64 4.50 -1.08 -1.26 -1.58 116.67 119.15 3ioq s ASP 6 Ca -0.11 -0.81 0.41 0.00 -0.52 0.00 0.00 52.55 51.52 3ioq s ASP 6 Cb -0.06 0.15 2.16 0.00 -1.46 0.00 0.00 42.92 43.72 3ioq s ASP 6 CO 0.02 -0.39 2.29 -0.50 0.52 0.00 0.00 175.17 177.11 3ioq h TRP 7 N 8.33 0.00 -0.55 -5.34 4.06 -1.26 -1.15 115.95 120.04 3ioq h TRP 7 Ca -0.16 0.00 -0.05 0.00 2.06 0.00 0.00 58.89 60.74 3ioq h TRP 7 Cb 1.08 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 29.21 3ioq h TRP 7 CO 0.24 0.01 0.15 0.00 -3.56 0.00 0.00 178.44 175.28 3ioq h ARG 8 N 0.00 0.84 -0.20 0.49 3.08 -1.91 -1.86 114.38 114.82 3ioq h ARG 8 Ca -0.00 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 59.88 3ioq h ARG 8 Cb 0.11 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.02 3ioq h ARG 8 CO 0.00 0.75 0.00 1.04 -1.07 0.00 0.00 179.97 180.69 3ioq n GLN 9 N -4.28 1.30 -0.00 0.04 1.13 -0.44 -2.20 117.38 112.93 3ioq n GLN 9 Ca 0.04 -0.41 0.00 0.00 -1.94 0.00 0.00 57.00 54.69 3ioq n GLN 9 Cb 0.22 -1.14 0.00 0.00 0.11 0.00 0.00 30.24 29.42 3ioq n GLN 9 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 3ioq n LYS 10 N -0.14 2.83 -1.79 -1.09 5.02 -0.92 -5.01 118.16 117.06 3ioq n LYS 10 Ca 0.04 -1.47 -0.11 0.00 -2.02 0.00 0.00 58.31 54.75 3ioq n LYS 10 Cb 0.13 -0.98 -0.02 0.00 -0.02 0.00 0.00 35.03 34.13 3ioq n LYS 10 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ioq n GLY 11 N -0.49 0.52 0.87 0.72 0.00 -0.93 -4.91 105.19 100.96 3ioq n GLY 11 Ca 0.00 -0.49 0.08 0.00 0.00 0.00 0.00 46.02 45.61 3ioq n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ioq n ALA 12 N -0.26 2.27 -3.57 4.61 0.00 -0.75 -4.69 120.51 118.12 3ioq n ALA 12 Ca -0.12 -1.15 -0.24 0.00 0.00 0.00 0.00 53.44 51.93 3ioq n ALA 12 Cb 0.48 -0.60 -0.17 0.00 0.00 0.00 0.00 19.45 19.17 3ioq n ALA 12 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3ioq s VAL 13 N -1.03 0.98 0.78 0.00 1.01 -1.25 -3.51 120.40 117.39 3ioq s VAL 13 Ca 0.31 -0.37 -0.10 0.00 0.00 0.00 0.00 61.98 61.83 3ioq s VAL 13 Cb 0.17 -0.93 0.09 0.00 0.00 0.00 0.00 36.38 35.70 3ioq s VAL 13 CO 0.22 0.33 1.12 0.42 0.00 0.00 0.00 175.10 177.19 3ioq s THR 14 N 0.89 2.12 0.81 3.92 -4.23 -1.26 -4.91 115.64 112.98 3ioq s THR 14 Ca -0.11 -0.14 -0.14 0.00 -1.18 0.00 0.00 61.69 60.12 3ioq s THR 14 Cb -0.15 -2.98 0.01 0.00 1.34 0.00 0.00 72.50 70.72 3ioq s THR 14 CO 0.01 0.00 0.66 -2.65 -0.54 0.00 0.00 174.62 172.10 3ioq n PRO 15 N -3.18 0.09 -2.08 3.99 -0.02 -1.26 -4.94 135.00 127.60 3ioq n PRO 15 Ca 0.09 0.09 -0.40 0.00 -2.02 0.00 0.00 63.50 61.25 3ioq n PRO 15 Cb 0.61 -1.99 -0.02 0.00 -0.02 0.00 0.00 33.50 32.08 3ioq n PRO 15 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3ioq s VAL 16 N -2.11 2.65 0.34 -1.45 1.01 -1.26 -5.04 120.40 114.54 3ioq s VAL 16 Ca 0.65 0.64 0.07 0.00 0.00 0.00 0.00 61.98 63.35 3ioq s VAL 16 Cb -0.29 -3.40 -0.03 0.00 0.00 0.00 0.00 36.38 32.66 3ioq s VAL 16 CO 0.59 0.14 0.30 -0.13 0.00 0.00 0.00 175.10 176.00 3ioq s ARG 17 N -1.91 2.72 -0.24 2.72 1.81 -1.26 -4.78 118.95 118.01 3ioq s ARG 17 Ca 0.51 -1.30 0.01 0.00 -1.72 0.00 0.00 55.73 53.22 3ioq s ARG 17 Cb -0.40 -2.48 0.06 0.00 -0.45 0.00 0.00 34.95 31.68 3ioq s ARG 17 CO 0.53 0.08 -0.05 1.21 -0.68 0.00 0.00 175.30 176.39 3ioq s ASN 18 N -4.01 3.84 0.47 0.23 3.84 -1.26 -1.13 114.94 116.92 3ioq s ASN 18 Ca 0.41 -1.18 0.32 0.00 0.21 0.00 0.00 52.86 52.62 3ioq s ASN 18 Cb -0.06 -1.16 1.43 0.00 -0.55 0.00 0.00 41.25 40.91 3ioq s ASN 18 CO 0.27 -0.24 1.95 0.06 -2.79 0.00 0.00 177.10 176.34 3ioq h GLN 19 N 7.96 0.00 0.00 0.43 3.07 -1.32 -3.47 115.11 121.78 3ioq h GLN 19 Ca -0.18 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.56 3ioq h GLN 19 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.63 3ioq h GLN 19 CO 0.41 0.00 0.00 0.41 0.09 0.00 0.00 178.83 179.74 3ioq n GLY 20 N -0.30 0.35 0.20 0.06 0.00 -1.26 -3.74 105.19 100.50 3ioq n GLY 20 Ca 0.00 -0.85 0.14 0.00 0.00 0.00 0.00 46.02 45.31 3ioq n GLY 20 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3ioq h GLY 21 N 0.00 0.00 -4.21 -0.02 0.00 -1.94 -3.46 103.07 93.44 3ioq h GLY 21 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.81 3ioq h GLY 21 CO 0.00 0.00 0.72 0.00 0.00 0.00 0.00 176.54 177.26 3ioq n GLY 23 N 2.14 4.17 1.13 0.00 0.00 0.39 -4.58 105.19 108.44 3ioq n GLY 23 Ca 0.06 -1.52 0.03 0.00 0.00 0.00 0.00 46.02 44.59 3ioq n GLY 23 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ioq n SER 24 N 3.17 3.68 -0.09 1.61 3.41 -1.26 -2.15 113.62 121.98 3ioq n SER 24 Ca 0.71 -3.24 0.13 0.00 -0.26 0.00 0.00 58.87 56.22 3ioq n SER 24 Cb 0.34 -0.60 0.52 0.00 -0.26 0.00 0.00 64.21 64.21 3ioq n SER 24 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ioq h TRP 26 N 0.37 0.00 0.05 0.00 5.08 -1.84 -1.09 115.95 118.52 3ioq h TRP 26 Ca 0.29 0.00 -0.23 0.00 1.08 0.00 0.00 58.89 60.04 3ioq h TRP 26 Cb 0.65 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.80 3ioq h TRP 26 CO -0.00 0.06 -1.03 1.79 -1.28 0.00 0.00 178.44 177.98 3ioq h THR 27 N 0.00 1.54 -0.04 0.12 1.35 -1.38 -3.15 112.91 111.34 3ioq h THR 27 Ca -0.00 -2.93 -0.09 0.00 -0.55 0.00 0.00 66.41 62.84 3ioq h THR 27 Cb 0.12 2.71 0.01 0.00 -1.73 0.00 0.00 68.15 69.26 3ioq h THR 27 CO 0.01 0.85 -0.33 -0.26 -0.25 0.00 0.00 175.52 175.54 3ioq h PHE 28 N 0.08 0.40 -0.53 4.73 0.04 -1.19 -1.95 116.94 118.52 3ioq h PHE 28 Ca -0.07 -0.19 -0.07 0.00 2.80 0.00 0.00 57.97 60.44 3ioq h PHE 28 Cb 1.72 -0.06 -0.02 0.00 2.20 0.00 0.00 35.95 39.80 3ioq h PHE 28 CO 0.04 0.96 0.07 0.66 -0.60 0.00 0.00 178.31 179.44 3ioq h SER 29 N -0.26 0.86 -0.15 2.17 4.64 -1.50 -1.00 113.55 118.30 3ioq h SER 29 Ca -0.03 -0.27 -0.01 0.00 -0.47 0.00 0.00 61.79 61.01 3ioq h SER 29 Cb 1.02 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.88 3ioq h SER 29 CO 0.07 0.91 0.06 0.28 -0.87 0.00 0.00 176.83 177.27 3ioq h SER 30 N 0.77 0.21 -0.95 4.97 0.02 -1.61 -1.50 113.55 115.46 3ioq h SER 30 Ca 0.16 -0.18 0.01 0.00 -0.84 0.00 0.00 61.79 60.94 3ioq h SER 30 Cb 0.43 -0.06 -0.05 0.00 0.14 0.00 0.00 62.40 62.87 3ioq h SER 30 CO 0.01 0.33 0.63 0.58 -1.14 0.00 0.00 176.83 177.25 3ioq h VAL 31 N 0.08 1.24 -0.72 2.27 2.07 -1.27 -1.00 116.25 118.92 3ioq h VAL 31 Ca 0.05 -0.44 -0.06 0.00 0.82 0.00 0.00 66.70 67.07 3ioq h VAL 31 Cb 0.19 -0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 29.77 3ioq h VAL 31 CO -0.00 0.23 0.20 0.00 0.02 0.00 0.00 177.57 178.02 3ioq h ALA 32 N 1.35 1.01 -0.59 1.67 0.00 -0.86 0.18 119.26 122.01 3ioq h ALA 32 Ca 0.35 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3ioq h ALA 32 Cb -0.14 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.35 3ioq h ALA 32 CO -0.08 0.66 0.33 0.00 0.00 0.00 0.00 179.25 180.16 3ioq h ALA 33 N 1.14 0.76 -0.36 0.00 0.00 -0.74 -1.68 119.26 118.39 3ioq h ALA 33 Ca 0.23 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 3ioq h ALA 33 Cb 0.33 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3ioq h ALA 33 CO -0.00 0.28 0.06 0.28 0.00 0.00 0.00 179.25 179.86 3ioq h VAL 34 N 0.80 1.24 -0.92 0.00 2.07 -0.55 -1.78 116.25 117.11 3ioq h VAL 34 Ca 0.21 -0.83 0.08 0.00 0.82 0.00 0.00 66.70 66.98 3ioq h VAL 34 Cb 0.04 1.09 -0.07 0.00 -1.52 0.00 0.00 31.29 30.83 3ioq h VAL 34 CO -0.03 0.28 0.57 -0.33 0.02 0.00 0.00 177.57 178.08 3ioq h GLU 35 N 0.43 0.97 0.71 1.57 5.08 -0.54 0.11 114.58 122.90 3ioq h GLU 35 Ca 0.11 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 3ioq h GLU 35 Cb 0.35 -0.22 0.01 0.00 0.50 0.00 0.00 28.75 29.39 3ioq h GLU 35 CO 0.01 0.64 -0.34 0.78 -1.00 0.00 0.00 179.01 179.09 3ioq h GLY 36 N 1.00 -1.00 1.54 -3.84 0.00 -1.07 -1.56 103.07 98.14 3ioq h GLY 36 Ca 0.42 0.37 -0.02 0.00 0.00 0.00 0.00 47.33 48.10 3ioq h GLY 36 CO -0.21 -0.36 0.17 1.19 0.00 0.00 0.00 176.54 177.33 3ioq h ILE 37 N -1.12 1.16 -0.52 2.60 6.09 -1.14 -1.60 117.51 122.97 3ioq h ILE 37 Ca -0.10 -0.49 -0.02 0.00 -1.37 0.00 0.00 64.86 62.89 3ioq h ILE 37 Cb 0.76 0.66 -0.02 0.00 0.47 0.00 0.00 36.82 38.68 3ioq h ILE 37 CO 0.16 0.19 0.27 -1.13 -3.07 0.00 0.00 178.15 174.57 3ioq h ASN 38 N 0.59 0.67 -0.36 2.19 -1.24 -0.93 -0.34 115.58 116.16 3ioq h ASN 38 Ca 0.15 -0.11 -0.02 0.00 0.71 0.00 0.00 56.30 57.03 3ioq h ASN 38 Cb 0.12 -0.17 -0.02 0.00 0.73 0.00 0.00 38.32 38.98 3ioq h ASN 38 CO -0.02 0.59 0.16 0.50 -1.29 0.00 0.00 177.43 177.38 3ioq h LYS 39 N 0.70 0.53 -0.65 6.67 3.11 -0.88 -0.60 116.57 125.45 3ioq h LYS 39 Ca 0.18 -0.09 0.07 0.00 -2.81 0.00 0.00 60.65 58.00 3ioq h LYS 39 Cb 0.09 -0.09 -0.06 0.00 -1.00 0.00 0.00 32.23 31.17 3ioq h LYS 39 CO -0.03 0.49 0.34 0.82 -2.81 0.00 0.00 179.45 178.27 3ioq h ILE 40 N 0.44 0.93 0.00 2.00 2.04 -0.89 0.21 117.51 122.25 3ioq h ILE 40 Ca 0.12 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.77 3ioq h ILE 40 Cb 0.15 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 36.48 3ioq h ILE 40 CO -0.01 0.11 -1.34 1.33 0.00 0.00 0.00 178.15 178.24 3ioq n VAL 41 N -4.83 0.25 -0.01 1.67 0.24 -0.18 -4.43 118.33 111.05 3ioq n VAL 41 Ca 0.08 -0.42 0.03 0.00 -2.04 0.00 0.00 64.34 61.99 3ioq n VAL 41 Cb 0.19 -0.01 -0.05 0.00 -1.47 0.00 0.00 33.84 32.51 3ioq n VAL 41 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3ioq n THR 42 N -2.27 0.04 -0.16 3.34 -2.24 -0.24 -4.63 114.28 108.12 3ioq n THR 42 Ca -0.01 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 3ioq n THR 42 Cb 0.51 0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.98 3ioq n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ioq n GLY 43 N 2.19 1.50 3.79 3.38 0.00 0.74 -5.02 105.19 111.76 3ioq n GLY 43 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 3ioq n GLY 43 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ioq s GLN 44 N -0.41 3.49 -0.35 1.61 -0.21 -1.26 -4.96 119.66 117.57 3ioq s GLN 44 Ca 0.00 -0.23 -0.14 0.00 0.02 0.00 0.00 55.36 55.01 3ioq s GLN 44 Cb 0.00 -3.13 -0.01 0.00 1.00 0.00 0.00 33.01 30.87 3ioq s GLN 44 CO 0.00 0.64 0.28 -1.17 -2.12 0.00 0.00 175.29 172.92 3ioq s LEU 45 N -0.66 4.55 0.13 2.90 2.96 -1.26 -3.07 118.68 124.23 3ioq s LEU 45 Ca 0.12 -0.41 0.10 0.00 -0.22 0.00 0.00 54.13 53.72 3ioq s LEU 45 Cb -0.12 -2.19 -0.04 0.00 0.50 0.00 0.00 46.19 44.34 3ioq s LEU 45 CO 0.02 -0.28 -0.23 -0.76 -1.32 0.00 0.00 176.35 173.79 3ioq s LEU 46 N 1.79 2.48 -0.30 -0.68 1.43 -1.26 -5.10 118.68 117.05 3ioq s LEU 46 Ca 0.07 -0.69 -0.11 0.00 -1.03 0.00 0.00 54.13 52.37 3ioq s LEU 46 Cb -0.17 -1.34 -0.03 0.00 0.03 0.00 0.00 46.19 44.68 3ioq s LEU 46 CO 0.11 0.17 0.19 -0.55 0.23 0.00 0.00 176.35 176.50 3ioq s SER 47 N -2.18 5.90 0.31 2.29 0.15 -1.26 -4.80 113.70 114.09 3ioq s SER 47 Ca 0.16 -0.23 0.07 0.00 0.70 0.00 0.00 55.95 56.66 3ioq s SER 47 Cb -0.10 -2.09 -0.03 0.00 -1.71 0.00 0.00 66.02 62.09 3ioq s SER 47 CO 0.08 -0.13 0.26 -0.76 1.20 0.00 0.00 173.24 173.89 3ioq s LEU 48 N 1.72 3.68 -0.60 3.45 1.43 -1.26 -0.31 118.68 126.79 3ioq s LEU 48 Ca 0.06 -0.41 -0.24 0.00 -1.03 0.00 0.00 54.13 52.51 3ioq s LEU 48 Cb -0.17 -2.26 0.05 0.00 0.03 0.00 0.00 46.19 43.84 3ioq s LEU 48 CO 0.10 -0.24 0.99 -0.55 0.23 0.00 0.00 176.35 176.87 3ioq s SER 49 N -3.94 6.29 0.34 2.29 0.15 -0.11 -4.04 113.70 114.67 3ioq s SER 49 Ca 0.38 -0.50 0.02 0.00 0.70 0.00 0.00 55.95 56.55 3ioq s SER 49 Cb -0.07 -2.45 0.60 0.00 -1.71 0.00 0.00 66.02 62.39 3ioq s SER 49 CO 0.26 -1.35 1.98 -0.33 1.20 0.00 0.00 173.24 175.00 3ioq h GLU 50 N 9.45 0.83 -0.74 5.44 3.07 -1.86 -3.02 114.58 127.75 3ioq h GLU 50 Ca -0.27 -0.07 -0.02 0.00 -0.50 0.00 0.00 59.36 58.50 3ioq h GLU 50 Cb 1.07 -0.18 -0.04 0.00 -0.84 0.00 0.00 28.75 28.77 3ioq h GLU 50 CO 1.13 0.58 0.39 0.37 -1.40 0.00 0.00 179.01 180.09 3ioq h GLN 51 N 0.84 1.04 -0.35 2.33 5.75 -1.84 -0.57 115.11 122.31 3ioq h GLN 51 Ca 0.22 -0.12 0.05 0.00 -0.15 0.00 0.00 58.65 58.65 3ioq h GLN 51 Cb -0.03 -0.20 -0.05 0.00 1.07 0.00 0.00 27.48 28.27 3ioq h GLN 51 CO -0.04 0.78 0.08 1.49 -2.65 0.00 0.00 178.83 178.48 3ioq h GLU 52 N 1.04 0.19 -0.18 1.69 4.81 -1.76 0.70 114.58 121.08 3ioq h GLU 52 Ca 0.26 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.47 3ioq h GLU 52 Cb 0.05 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 3ioq h GLU 52 CO -0.04 0.13 0.09 -0.07 -0.73 0.00 0.00 179.01 178.39 3ioq h LEU 53 N 0.20 0.23 -0.59 1.64 3.38 -1.45 0.21 115.31 118.94 3ioq h LEU 53 Ca 0.17 -0.11 0.10 0.00 0.09 0.00 0.00 57.88 58.13 3ioq h LEU 53 Cb 0.18 -0.06 -0.08 0.00 0.09 0.00 0.00 40.66 40.79 3ioq h LEU 53 CO -0.21 0.27 0.17 0.25 0.09 0.00 0.00 178.44 179.01 3ioq h LEU 54 N 0.18 0.10 0.10 1.67 5.85 -0.65 -0.91 115.31 121.63 3ioq h LEU 54 Ca 0.06 0.10 -0.28 0.00 0.84 0.00 0.00 57.88 58.60 3ioq h LEU 54 Cb 0.10 0.11 0.02 0.00 0.37 0.00 0.00 40.66 41.25 3ioq h LEU 54 CO -0.01 0.06 -1.24 0.44 -0.34 0.00 0.00 178.44 177.36 3ioq h ASP 55 N 0.32 0.60 0.00 1.25 3.32 -0.73 -3.36 116.42 117.81 3ioq h ASP 55 Ca 0.31 -0.60 0.00 0.00 0.02 0.00 0.00 57.03 56.76 3ioq h ASP 55 Cb 0.42 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.78 3ioq h ASP 55 CO -0.35 1.44 -1.28 0.00 -1.72 0.00 0.00 179.24 177.33 3ioq s GLU 57 N -2.55 3.12 0.39 0.00 -6.30 -0.37 -4.89 118.70 108.10 3ioq s GLU 57 Ca -0.02 -0.80 0.15 0.00 -2.50 0.00 0.00 54.97 51.79 3ioq s GLU 57 Cb 0.06 -4.22 0.79 0.00 0.00 0.00 0.00 34.13 30.77 3ioq s GLU 57 CO 0.41 -1.79 1.85 0.00 0.02 0.00 0.00 175.26 175.74 3ioq h ARG 58 N 9.55 0.00 -0.00 4.30 2.47 -1.89 -2.81 114.38 126.01 3ioq h ARG 58 Ca -0.29 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.43 3ioq h ARG 58 Cb 1.07 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.39 3ioq h ARG 58 CO 1.18 0.34 -0.09 0.54 0.56 0.00 0.00 179.97 182.50 3ioq n ARG 59 N -4.01 0.32 -2.78 0.04 1.74 -1.26 -4.81 116.66 105.91 3ioq n ARG 59 Ca -0.02 -0.06 -0.17 0.00 -0.77 0.00 0.00 57.85 56.82 3ioq n ARG 59 Cb 0.40 -1.50 0.06 0.00 -1.02 0.00 0.00 32.46 30.40 3ioq n ARG 59 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3ioq n SER 60 N -1.28 1.89 -1.44 0.55 7.64 -1.06 -4.87 113.62 115.05 3ioq n SER 60 Ca 0.11 -2.38 -0.05 0.00 1.01 0.00 0.00 58.87 57.57 3ioq n SER 60 Cb 0.29 -0.37 0.10 0.00 -1.01 0.00 0.00 64.21 63.23 3ioq n SER 60 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 3ioq n TYR 61 N -2.11 1.06 0.00 1.43 4.02 0.46 -5.00 117.16 117.01 3ioq n TYR 61 Ca 0.14 -1.67 0.00 0.00 -0.01 0.00 0.00 57.90 56.36 3ioq n TYR 61 Cb 0.53 -0.26 0.00 0.00 -0.02 0.00 0.00 39.34 39.59 3ioq n TYR 61 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3ioq n GLY 62 N -0.70 3.69 0.00 2.72 0.00 -1.24 -0.98 105.19 108.68 3ioq n GLY 62 Ca 0.24 -0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.32 3ioq n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ioq n ARG 64 N -1.18 4.12 0.00 0.00 1.74 -0.15 -0.46 116.66 120.72 3ioq n ARG 64 Ca 0.14 -3.13 0.00 0.00 -0.77 0.00 0.00 57.85 54.10 3ioq n ARG 64 Cb 0.16 -2.24 0.00 0.00 -1.02 0.00 0.00 32.46 29.35 3ioq n ARG 64 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ioq n GLY 65 N 0.09 1.95 0.00 -0.13 0.00 -0.92 -4.80 105.19 101.38 3ioq n GLY 65 Ca 0.37 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.44 3ioq n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ioq n GLY 66 N 1.73 1.10 2.82 -0.02 0.00 -1.26 -0.41 105.19 109.15 3ioq n GLY 66 Ca 0.00 -0.88 -0.29 0.00 0.00 0.00 0.00 46.02 44.84 3ioq n GLY 66 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ioq s PHE 67 N -4.89 1.92 0.33 1.61 0.08 -1.26 -4.85 117.98 110.91 3ioq s PHE 67 Ca 0.00 -1.62 0.08 0.00 0.12 0.00 0.00 56.93 55.50 3ioq s PHE 67 Cb 0.00 -1.60 0.78 0.00 -0.57 0.00 0.00 43.02 41.63 3ioq s PHE 67 CO 0.00 -0.78 1.81 -1.35 -0.10 0.00 0.00 175.22 174.80 3ioq h PRO 68 N 8.05 0.71 -0.46 0.24 0.11 -1.98 -0.33 132.00 138.33 3ioq h PRO 68 Ca -0.15 -0.04 0.07 0.00 0.11 0.00 0.00 66.00 65.99 3ioq h PRO 68 Cb 1.06 -0.16 -0.06 0.00 0.11 0.00 0.00 31.00 31.95 3ioq h PRO 68 CO 0.42 0.47 0.10 1.25 -0.21 0.00 0.00 178.00 180.04 3ioq h LEU 69 N 0.73 0.03 -0.56 2.35 5.85 -1.94 -0.38 115.31 121.38 3ioq h LEU 69 Ca 0.53 0.08 -0.16 0.00 0.84 0.00 0.00 57.88 59.17 3ioq h LEU 69 Cb 0.86 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.99 3ioq h LEU 69 CO -0.31 0.05 -0.61 1.88 -0.34 0.00 0.00 178.44 179.11 3ioq h TYR 70 N 0.24 0.49 -0.50 1.25 0.05 -1.54 -1.13 116.97 115.83 3ioq h TYR 70 Ca 0.23 -0.19 0.03 0.00 0.05 0.00 0.00 58.73 58.85 3ioq h TYR 70 Cb 0.29 -0.09 -0.03 0.00 1.01 0.00 0.00 36.73 37.91 3ioq h TYR 70 CO -0.21 0.89 0.29 0.00 -1.05 0.00 0.00 178.16 178.08 3ioq h ALA 71 N 1.06 0.63 -0.39 3.88 0.00 -0.84 0.02 119.26 123.62 3ioq h ALA 71 Ca -0.01 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 3ioq h ALA 71 Cb 1.14 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 3ioq h ALA 71 CO 0.10 -0.03 -0.15 -0.07 0.00 0.00 0.00 179.25 179.11 3ioq h LEU 72 N 0.57 0.72 -0.77 0.00 3.38 -0.78 -1.98 115.31 116.45 3ioq h LEU 72 Ca 0.20 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 3ioq h LEU 72 Cb 0.04 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 3ioq h LEU 72 CO -0.10 0.88 0.28 1.56 0.09 0.00 0.00 178.44 181.14 3ioq h GLN 73 N 0.65 1.17 -0.56 1.13 4.20 -0.94 -1.95 115.11 118.80 3ioq h GLN 73 Ca 0.11 -0.23 0.05 0.00 0.06 0.00 0.00 58.65 58.63 3ioq h GLN 73 Cb 0.62 -0.18 -0.05 0.00 0.30 0.00 0.00 27.48 28.17 3ioq h GLN 73 CO 0.04 0.97 0.30 -0.92 -0.67 0.00 0.00 178.83 178.55 3ioq h TYR 74 N 1.13 0.55 -0.38 2.96 5.03 -0.55 -0.96 116.97 124.74 3ioq h TYR 74 Ca 0.25 0.02 -0.06 0.00 2.58 0.00 0.00 58.73 61.52 3ioq h TYR 74 Cb 0.26 -0.16 -0.02 0.00 1.55 0.00 0.00 36.73 38.36 3ioq h TYR 74 CO 0.02 0.27 -0.03 0.28 -1.32 0.00 0.00 178.16 177.39 3ioq h VAL 75 N 0.57 1.22 0.00 1.81 2.07 -1.09 0.42 116.25 121.25 3ioq h VAL 75 Ca 0.25 -0.91 -0.06 0.00 0.82 0.00 0.00 66.70 66.79 3ioq h VAL 75 Cb 0.14 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 3ioq h VAL 75 CO -0.16 0.31 -0.29 0.00 0.02 0.00 0.00 177.57 177.45 3ioq h ALA 76 N 1.40 1.01 0.02 1.67 0.00 -0.79 -1.48 119.26 121.10 3ioq h ALA 76 Ca 0.12 -0.26 -0.38 0.00 0.00 0.00 0.00 54.91 54.39 3ioq h ALA 76 Cb 0.41 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 3ioq h ALA 76 CO 0.02 0.36 -2.16 -1.71 0.00 0.00 0.00 179.25 175.76 3ioq n ASN 77 N -3.45 1.98 -0.00 0.00 4.05 -0.42 -4.67 115.26 112.74 3ioq n ASN 77 Ca 0.00 0.20 0.06 0.00 0.45 0.00 0.00 54.58 55.29 3ioq n ASN 77 Cb 0.47 -0.75 -0.09 0.00 1.23 0.00 0.00 39.78 40.64 3ioq n ASN 77 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 177.26 173.01 3ioq n SER 78 N -3.87 1.41 -0.47 1.20 7.64 0.14 -5.10 113.62 114.57 3ioq n SER 78 Ca -0.43 -0.35 0.06 0.00 1.01 0.00 0.00 58.87 59.16 3ioq n SER 78 Cb 0.90 1.34 -0.01 0.00 -1.01 0.00 0.00 64.21 65.43 3ioq n SER 78 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ioq n GLY 79 N 1.56 -2.07 3.25 0.23 0.00 -0.56 -5.00 105.19 102.59 3ioq n GLY 79 Ca -0.00 -1.39 -0.13 0.00 0.00 0.00 0.00 46.02 44.50 3ioq n GLY 79 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3ioq s ILE 80 N -1.18 0.03 0.62 -0.61 2.07 0.13 -4.59 121.20 117.67 3ioq s ILE 80 Ca 0.00 -0.22 -0.05 0.00 -1.41 0.00 0.00 60.65 58.98 3ioq s ILE 80 Cb 0.00 -0.57 0.03 0.00 0.13 0.00 0.00 42.46 42.06 3ioq s ILE 80 CO 0.00 -0.12 0.91 -1.00 -1.91 0.00 0.00 174.94 172.82 3ioq s HIS 81 N -0.54 3.05 0.45 3.50 3.76 -1.26 -0.64 115.29 123.62 3ioq s HIS 81 Ca -0.06 0.43 -0.23 0.00 -0.15 0.00 0.00 55.06 55.05 3ioq s HIS 81 Cb -0.04 -2.90 -0.08 0.00 1.11 0.00 0.00 32.58 30.67 3ioq s HIS 81 CO 0.02 -1.04 1.10 -0.51 -0.85 0.00 0.00 174.74 173.46 3ioq s LEU 82 N -5.03 4.01 0.25 0.89 1.43 -1.25 -0.94 118.68 118.04 3ioq s LEU 82 Ca 0.57 2.14 -0.04 0.00 -1.03 0.00 0.00 54.13 55.77 3ioq s LEU 82 Cb -0.11 -4.29 0.45 0.00 0.03 0.00 0.00 46.19 42.27 3ioq s LEU 82 CO 0.43 -0.77 1.77 -0.09 0.23 0.00 0.00 176.35 177.92 3ioq h ARG 83 N 2.07 0.59 0.00 1.70 2.43 -0.80 -1.71 114.38 118.67 3ioq h ARG 83 Ca -0.49 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.64 3ioq h ARG 83 Cb 1.23 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.65 3ioq h ARG 83 CO 0.61 0.39 0.00 -0.56 -1.51 0.00 0.00 179.97 178.90 3ioq h GLN 84 N 0.61 0.00 -0.05 0.20 3.07 -1.93 -0.82 115.11 116.19 3ioq h GLN 84 Ca 0.42 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.16 3ioq h GLN 84 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.09 3ioq h GLN 84 CO -0.33 0.00 0.00 0.66 0.09 0.00 0.00 178.83 179.25 3ioq n TYR 85 N -2.99 0.04 -2.80 0.06 4.01 -0.69 -4.71 117.16 110.08 3ioq n TYR 85 Ca -0.02 -0.03 -0.09 0.00 -0.16 0.00 0.00 57.90 57.60 3ioq n TYR 85 Cb 0.15 -0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.21 3ioq n TYR 85 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 3ioq n TYR 86 N 0.85 -3.10 -1.55 -0.72 4.19 -0.40 -4.34 117.16 112.09 3ioq n TYR 86 Ca 0.09 -1.90 -0.31 0.00 3.31 0.00 0.00 57.90 59.10 3ioq n TYR 86 Cb 0.38 1.37 0.07 0.00 0.49 0.00 0.00 39.34 41.65 3ioq n TYR 86 CO 0.00 0.00 0.00 -1.25 0.91 0.00 0.00 176.86 176.52 3ioq s PRO 87 N 0.53 2.53 0.02 2.98 0.04 -0.72 -4.38 135.00 136.01 3ioq s PRO 87 Ca 0.32 0.82 -0.30 0.00 0.04 0.00 0.00 61.00 61.88 3ioq s PRO 87 Cb 0.20 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.74 3ioq s PRO 87 CO -0.22 -1.35 1.06 -0.47 0.04 0.00 0.00 177.00 176.07 3ioq s TYR 88 N -3.09 3.58 -0.06 0.56 5.04 -1.26 -4.70 117.35 117.42 3ioq s TYR 88 Ca 0.59 1.55 0.10 0.00 -2.44 0.00 0.00 57.07 56.88 3ioq s TYR 88 Cb -0.14 -3.23 -0.16 0.00 0.35 0.00 0.00 41.96 38.78 3ioq s TYR 88 CO 0.55 -0.49 0.15 0.39 -1.34 0.00 0.00 175.55 174.81 3ioq n GLU 89 N 3.90 1.22 -1.28 4.97 -0.58 -1.26 -5.01 120.64 122.60 3ioq n GLU 89 Ca 0.07 -0.06 -0.05 0.00 -0.42 0.00 0.00 57.16 56.70 3ioq n GLU 89 Cb 0.49 -1.27 -0.02 0.00 -0.57 0.00 0.00 31.44 30.07 3ioq n GLU 89 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ioq n GLY 90 N 2.08 0.67 3.27 0.62 0.00 -1.26 -5.02 105.19 105.55 3ioq n GLY 90 Ca -0.09 -0.82 -0.13 0.00 0.00 0.00 0.00 46.02 44.98 3ioq n GLY 90 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ioq s VAL 91 N -2.19 0.01 0.10 1.61 -7.23 -1.26 -4.54 120.40 106.90 3ioq s VAL 91 Ca 0.00 -0.12 -0.30 0.00 -1.81 0.00 0.00 61.98 59.75 3ioq s VAL 91 Cb 0.00 -0.56 -0.06 0.00 0.56 0.00 0.00 36.38 36.32 3ioq s VAL 91 CO 0.00 -0.06 1.07 -1.58 -0.31 0.00 0.00 175.10 174.22 3ioq s GLN 92 N -0.22 4.57 0.39 4.82 0.74 -1.26 -4.95 119.66 123.75 3ioq s GLN 92 Ca -0.04 1.62 0.03 0.00 0.05 0.00 0.00 55.36 57.02 3ioq s GLN 92 Cb -0.03 -3.35 -0.01 0.00 1.10 0.00 0.00 33.01 30.72 3ioq s GLN 92 CO 0.02 0.00 0.09 0.54 -0.55 0.00 0.00 175.29 175.39 3ioq n ARG 93 N 3.10 0.71 -1.74 1.67 1.74 -1.26 -5.08 116.66 115.80 3ioq n ARG 93 Ca 0.05 -3.13 -0.39 0.00 -0.77 0.00 0.00 57.85 53.61 3ioq n ARG 93 Cb 0.48 1.43 0.03 0.00 -1.02 0.00 0.00 32.46 33.38 3ioq n ARG 93 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3ioq n GLN 94 N -0.91 1.88 -1.69 5.56 6.02 -1.26 -4.64 117.38 122.34 3ioq n GLN 94 Ca -0.09 0.68 -0.42 0.00 -0.01 0.00 0.00 57.00 57.16 3ioq n GLN 94 Cb 0.55 -2.56 -0.03 0.00 1.02 0.00 0.00 30.24 29.22 3ioq n GLN 94 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3ioq n ARG 96 N 5.73 1.14 -0.20 0.00 5.12 -1.26 -4.83 116.66 122.35 3ioq n ARG 96 Ca 0.18 -2.64 -0.01 0.00 -1.93 0.00 0.00 57.85 53.45 3ioq n ARG 96 Cb 0.38 -1.29 0.10 0.00 -1.16 0.00 0.00 32.46 30.48 3ioq n ARG 96 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3ioq h ALA 97 N 0.48 0.80 0.00 7.54 0.00 -1.94 -2.05 119.26 124.10 3ioq h ALA 97 Ca -0.02 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3ioq h ALA 97 Cb 1.13 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3ioq h ALA 97 CO 0.01 -0.11 0.00 -1.13 0.00 0.00 0.00 179.25 178.02 3ioq n SER 98 N -4.92 0.64 -0.00 0.00 3.41 -1.26 -2.26 113.62 109.23 3ioq n SER 98 Ca 0.08 0.68 0.09 0.00 -0.26 0.00 0.00 58.87 59.45 3ioq n SER 98 Cb 0.23 -0.81 -0.10 0.00 -0.26 0.00 0.00 64.21 63.26 3ioq n SER 98 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ioq n GLN 99 N -2.23 1.04 -2.03 4.33 3.00 -0.81 -4.99 117.38 115.69 3ioq n GLN 99 Ca 0.02 -0.01 -0.41 0.00 -0.01 0.00 0.00 57.00 56.58 3ioq n GLN 99 Cb 0.20 -1.35 -0.02 0.00 0.00 0.00 0.00 30.24 29.06 3ioq n GLN 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3ioq s ALA 100 N -2.73 3.61 0.81 -1.58 0.00 -0.96 -5.01 121.76 115.90 3ioq s ALA 100 Ca 0.06 1.31 -0.12 0.00 0.00 0.00 0.00 51.96 53.21 3ioq s ALA 100 Cb 0.13 -3.55 0.08 0.00 0.00 0.00 0.00 23.12 19.78 3ioq s ALA 100 CO 0.74 -0.73 1.16 0.15 0.00 0.00 0.00 175.76 177.08 3ioq s LYS 101 N -0.46 1.97 0.02 0.00 1.02 -1.26 -5.01 119.74 116.02 3ioq s LYS 101 Ca 0.58 0.20 0.00 0.00 0.02 0.00 0.00 55.97 56.78 3ioq s LYS 101 Cb -0.41 -1.94 0.00 0.00 -0.52 0.00 0.00 37.83 34.95 3ioq s LYS 101 CO 0.44 -1.61 0.00 0.41 -0.92 0.00 0.00 175.35 173.67 3ioq n GLY 102 N -3.08 -2.86 3.82 -3.33 0.00 -1.26 -4.73 105.19 93.76 3ioq n GLY 102 Ca 0.08 -1.70 -0.29 0.00 0.00 0.00 0.00 46.02 44.10 3ioq n GLY 102 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ioq s PRO 103 N -0.97 1.29 0.07 1.61 0.04 -1.26 -4.95 135.00 130.83 3ioq s PRO 103 Ca 0.00 0.19 0.09 0.00 0.04 0.00 0.00 61.00 61.32 3ioq s PRO 103 Cb 0.00 -1.87 -0.03 0.00 0.04 0.00 0.00 34.50 32.64 3ioq s PRO 103 CO 0.00 -2.08 -0.24 0.15 0.04 0.00 0.00 177.00 174.87 3ioq s LYS 104 N -5.40 1.53 -0.20 4.56 1.02 -1.26 -3.91 119.74 116.08 3ioq s LYS 104 Ca 0.64 -1.11 -0.10 0.00 0.02 0.00 0.00 55.97 55.41 3ioq s LYS 104 Cb -0.13 -1.76 -0.05 0.00 -0.52 0.00 0.00 37.83 35.37 3ioq s LYS 104 CO 0.52 0.44 0.15 0.08 -0.92 0.00 0.00 175.35 175.62 3ioq s VAL 105 N -0.89 5.40 -0.06 3.17 1.01 0.19 -4.86 120.40 124.36 3ioq s VAL 105 Ca 0.10 0.23 0.05 0.00 0.00 0.00 0.00 61.98 62.36 3ioq s VAL 105 Cb -0.10 -3.49 -0.00 0.00 0.00 0.00 0.00 36.38 32.79 3ioq s VAL 105 CO 0.03 0.43 -0.20 -0.75 0.00 0.00 0.00 175.10 174.61 3ioq s LYS 106 N 0.41 2.16 0.55 2.72 2.20 -1.26 -0.69 119.74 125.83 3ioq s LYS 106 Ca 0.09 -0.72 0.09 0.00 -0.36 0.00 0.00 55.97 55.06 3ioq s LYS 106 Cb -0.11 -1.82 0.07 0.00 -1.51 0.00 0.00 37.83 34.45 3ioq s LYS 106 CO -0.01 0.27 0.68 0.95 -0.36 0.00 0.00 175.35 176.88 3ioq s THR 107 N 0.05 2.16 -0.30 3.43 -4.23 -1.18 -5.00 115.64 110.56 3ioq s THR 107 Ca -0.06 -1.10 0.11 0.00 -1.18 0.00 0.00 61.69 59.45 3ioq s THR 107 Cb -0.13 -2.26 -0.14 0.00 1.34 0.00 0.00 72.50 71.31 3ioq s THR 107 CO 0.03 0.00 0.37 0.47 -0.54 0.00 0.00 174.62 174.95 3ioq n ASP 108 N -2.09 1.32 0.00 3.99 8.00 0.72 -4.39 116.55 124.10 3ioq n ASP 108 Ca 0.11 -0.44 0.00 0.00 0.71 0.00 0.00 54.79 55.17 3ioq n ASP 108 Cb 0.62 1.21 0.00 0.00 -0.02 0.00 0.00 41.12 42.93 3ioq n ASP 108 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ioq n GLY 109 N 1.51 -1.18 2.85 0.44 0.00 -1.00 -4.97 105.19 102.83 3ioq n GLY 109 Ca 0.00 -0.82 -0.13 0.00 0.00 0.00 0.00 46.02 45.07 3ioq n GLY 109 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ioq s VAL 110 N -3.00 0.02 0.28 1.61 1.01 -1.26 -1.21 120.40 117.84 3ioq s VAL 110 Ca 0.00 0.04 0.11 0.00 0.00 0.00 0.00 61.98 62.13 3ioq s VAL 110 Cb 0.00 -0.06 -0.05 0.00 0.00 0.00 0.00 36.38 36.27 3ioq s VAL 110 CO 0.00 0.03 -0.10 -0.83 0.00 0.00 0.00 175.10 174.20 3ioq s GLY 111 N 0.29 1.82 -0.04 4.51 0.00 0.74 -4.89 107.32 109.74 3ioq s GLY 111 Ca -0.02 -1.80 0.04 0.00 0.00 0.00 0.00 44.72 42.93 3ioq s GLY 111 CO -0.01 -1.87 -0.15 -1.60 0.00 0.00 0.00 173.10 169.48 3ioq s ARG 112 N -3.59 1.56 0.13 2.90 6.06 -1.26 -1.33 118.95 123.42 3ioq s ARG 112 Ca 0.31 -0.51 -0.30 0.00 -2.50 0.00 0.00 55.73 52.73 3ioq s ARG 112 Cb -0.05 -1.37 -0.06 0.00 0.06 0.00 0.00 34.95 33.53 3ioq s ARG 112 CO 0.17 0.19 1.01 0.08 -2.50 0.00 0.00 175.30 174.26 3ioq s VAL 113 N 0.13 4.30 0.07 7.11 1.01 -0.38 -4.98 120.40 127.67 3ioq s VAL 113 Ca -0.05 1.91 -0.35 0.00 0.00 0.00 0.00 61.98 63.50 3ioq s VAL 113 Cb -0.11 -4.22 -0.14 0.00 0.00 0.00 0.00 36.38 31.90 3ioq s VAL 113 CO 0.02 0.29 1.58 -2.65 0.00 0.00 0.00 175.10 174.34 3ioq n PRO 114 N 2.74 1.82 -1.44 2.72 -0.02 -1.26 -4.62 135.00 134.94 3ioq n PRO 114 Ca 0.03 0.66 -0.30 0.00 -2.02 0.00 0.00 63.50 61.86 3ioq n PRO 114 Cb 0.48 -2.40 0.09 0.00 -0.02 0.00 0.00 33.50 31.65 3ioq n PRO 114 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 3ioq s ARG 115 N 1.49 2.19 -1.54 -0.52 1.70 -1.26 -4.04 118.95 116.97 3ioq s ARG 115 Ca 0.84 0.86 -0.14 0.00 -0.47 0.00 0.00 55.73 56.82 3ioq s ARG 115 Cb -0.78 -1.91 0.09 0.00 -0.57 0.00 0.00 34.95 31.78 3ioq s ARG 115 CO 0.44 -1.60 0.94 0.09 -1.08 0.00 0.00 175.30 174.10 3ioq n ASN 116 N -3.45 -4.42 -3.48 -2.89 3.02 -0.43 -4.94 115.26 98.67 3ioq n ASN 116 Ca 0.08 -0.81 -0.25 0.00 -0.03 0.00 0.00 54.58 53.57 3ioq n ASN 116 Cb 0.55 -3.74 -0.13 0.00 -0.61 0.00 0.00 39.78 35.85 3ioq n ASN 116 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3ioq s ASN 117 N -3.37 2.77 0.13 6.41 3.84 -1.26 -4.87 114.94 118.59 3ioq s ASN 117 Ca 0.64 -1.21 -0.17 0.00 0.21 0.00 0.00 52.86 52.33 3ioq s ASN 117 Cb -0.32 -0.03 -0.02 0.00 -0.55 0.00 0.00 41.25 40.33 3ioq s ASN 117 CO 0.84 -0.40 1.73 -0.08 -2.79 0.00 0.00 177.10 176.40 3ioq h GLU 118 N 8.18 0.49 -0.84 0.43 4.81 -1.91 -2.48 114.58 123.26 3ioq h GLU 118 Ca -0.14 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.02 3ioq h GLU 118 Cb 1.03 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 30.28 3ioq h GLU 118 CO 0.38 0.41 0.50 0.37 -0.73 0.00 0.00 179.01 179.95 3ioq h GLN 119 N 0.43 1.13 -0.78 1.92 5.75 -1.98 -1.18 115.11 120.41 3ioq h GLN 119 Ca 0.12 -0.10 -0.03 0.00 -0.15 0.00 0.00 58.65 58.49 3ioq h GLN 119 Cb 0.07 -0.24 -0.04 0.00 1.07 0.00 0.00 27.48 28.35 3ioq h GLN 119 CO -0.02 0.79 0.38 0.00 -2.65 0.00 0.00 178.83 177.34 3ioq h ALA 120 N 1.40 1.00 -0.21 3.38 0.00 -1.85 0.19 119.26 123.17 3ioq h ALA 120 Ca 0.30 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 3ioq h ALA 120 Cb -0.05 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 3ioq h ALA 120 CO -0.06 0.56 -0.04 1.25 0.00 0.00 0.00 179.25 180.97 3ioq h LEU 121 N 1.10 0.39 -0.49 0.00 5.85 -0.98 -2.05 115.31 119.13 3ioq h LEU 121 Ca 0.27 -0.35 0.06 0.00 0.84 0.00 0.00 57.88 58.70 3ioq h LEU 121 Cb 0.10 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 40.97 3ioq h LEU 121 CO -0.04 0.65 0.18 0.40 -0.34 0.00 0.00 178.44 179.29 3ioq h ILE 122 N 0.12 0.84 -0.90 4.05 1.08 -1.06 0.06 117.51 121.70 3ioq h ILE 122 Ca 0.05 -0.12 0.04 0.00 -0.39 0.00 0.00 64.86 64.45 3ioq h ILE 122 Cb 0.47 0.46 -0.05 0.00 -3.07 0.00 0.00 36.82 34.62 3ioq h ILE 122 CO 0.02 0.06 0.59 1.56 -0.69 0.00 0.00 178.15 179.69 3ioq h GLN 123 N 0.35 1.07 -0.19 2.37 1.08 -0.88 -0.82 115.11 118.09 3ioq h GLN 123 Ca 0.23 -0.06 -0.15 0.00 -1.45 0.00 0.00 58.65 57.22 3ioq h GLN 123 Cb 0.24 -0.24 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 3ioq h GLN 123 CO -0.23 0.71 -0.46 -0.09 -0.95 0.00 0.00 178.83 177.81 3ioq h ARG 124 N 1.10 0.65 -0.27 1.46 9.65 -0.59 -3.06 114.38 123.32 3ioq h ARG 124 Ca 0.37 -0.44 -0.00 0.00 -1.10 0.00 0.00 59.98 58.80 3ioq h ARG 124 Cb 0.07 0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 28.70 3ioq h ARG 124 CO -0.12 1.06 0.16 0.82 2.80 0.00 0.00 179.97 184.70 3ioq h ILE 125 N 0.34 1.08 -0.06 1.20 2.04 -0.65 0.14 117.51 121.60 3ioq h ILE 125 Ca -0.00 -0.18 0.02 0.00 1.00 0.00 0.00 64.86 65.69 3ioq h ILE 125 Cb 1.07 0.70 -0.00 0.00 -0.74 0.00 0.00 36.82 37.85 3ioq h ILE 125 CO 0.10 0.08 0.11 0.00 0.00 0.00 0.00 178.15 178.44 3ioq h ALA 126 N 1.81 1.44 0.02 1.87 0.00 -1.05 -2.94 119.26 120.41 3ioq h ALA 126 Ca 0.10 -0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.64 3ioq h ALA 126 Cb -0.01 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.72 3ioq h ALA 126 CO -0.02 -0.14 -2.30 -0.89 0.00 0.00 0.00 179.25 175.91 3ioq n ILE 127 N -3.49 1.52 -3.55 0.00 5.41 0.38 -5.04 119.36 114.59 3ioq n ILE 127 Ca -0.01 -0.69 -0.07 0.00 1.00 0.00 0.00 62.75 62.98 3ioq n ILE 127 Cb 0.19 -1.14 -0.02 0.00 -0.71 0.00 0.00 39.64 37.96 3ioq n ILE 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3ioq s GLN 128 N -2.53 0.55 0.67 0.38 -2.07 -0.56 -5.05 119.66 111.06 3ioq s GLN 128 Ca -0.22 -0.17 -0.17 0.00 -1.82 0.00 0.00 55.36 52.97 3ioq s GLN 128 Cb 0.08 0.25 0.00 0.00 -1.09 0.00 0.00 33.01 32.25 3ioq s GLN 128 CO 0.72 -0.23 1.22 -2.30 -1.32 0.00 0.00 175.29 173.37 3ioq n PRO 129 N -0.08 0.90 -4.51 9.60 -0.02 -1.26 -3.87 135.00 135.76 3ioq n PRO 129 Ca -0.04 0.37 -0.21 0.00 -2.02 0.00 0.00 63.50 61.59 3ioq n PRO 129 Cb 0.60 -2.45 -0.15 0.00 -0.02 0.00 0.00 33.50 31.48 3ioq n PRO 129 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3ioq s VAL 130 N -1.54 1.00 -0.25 -1.45 1.01 -0.44 -4.82 120.40 113.91 3ioq s VAL 130 Ca 0.80 -0.64 -0.25 0.00 0.00 0.00 0.00 61.98 61.89 3ioq s VAL 130 Cb -0.37 -0.86 -0.00 0.00 0.00 0.00 0.00 36.38 35.15 3ioq s VAL 130 CO 0.43 0.21 0.86 -0.55 0.00 0.00 0.00 175.10 176.06 3ioq s SER 131 N -0.48 6.87 0.42 3.32 0.15 -0.08 -0.20 113.70 123.69 3ioq s SER 131 Ca 0.04 1.07 0.02 0.00 0.70 0.00 0.00 55.95 57.78 3ioq s SER 131 Cb -0.05 -2.45 -0.01 0.00 -1.71 0.00 0.00 66.02 61.79 3ioq s SER 131 CO -0.00 -0.55 0.09 2.30 1.20 0.00 0.00 173.24 176.27 3ioq n ILE 132 N 5.29 0.00 -4.15 6.45 -5.35 0.18 -0.87 119.36 120.92 3ioq n ILE 132 Ca 0.07 -2.25 -0.16 0.00 -0.27 0.00 0.00 62.75 60.14 3ioq n ILE 132 Cb 0.47 0.67 -0.12 0.00 -1.74 0.00 0.00 39.64 38.93 3ioq n ILE 132 CO 0.00 0.00 0.00 0.68 -1.76 0.00 0.00 176.55 175.47 3ioq s VAL 133 N -2.89 0.97 0.10 7.28 -7.23 -1.24 -1.49 120.40 115.90 3ioq s VAL 133 Ca 0.12 -1.35 -0.04 0.00 -1.81 0.00 0.00 61.98 58.90 3ioq s VAL 133 Cb 0.01 -1.06 -0.02 0.00 0.56 0.00 0.00 36.38 35.86 3ioq s VAL 133 CO 0.09 -0.34 0.10 0.68 -0.31 0.00 0.00 175.10 175.32 3ioq s VAL 134 N -1.58 0.15 -0.42 1.32 -7.23 -0.25 -3.70 120.40 108.68 3ioq s VAL 134 Ca -0.02 -1.60 -0.22 0.00 -1.81 0.00 0.00 61.98 58.33 3ioq s VAL 134 Cb -0.08 -1.66 0.02 0.00 0.56 0.00 0.00 36.38 35.22 3ioq s VAL 134 CO 0.01 -0.66 0.74 -0.70 -0.31 0.00 0.00 175.10 174.19 3ioq s GLU 135 N -3.94 3.50 0.00 4.82 2.12 0.29 -1.21 118.70 124.27 3ioq s GLU 135 Ca 0.12 -0.04 0.15 0.00 0.36 0.00 0.00 54.97 55.57 3ioq s GLU 135 Cb 0.06 -3.90 0.08 0.00 0.26 0.00 0.00 34.13 30.64 3ioq s GLU 135 CO -0.06 -1.00 0.93 0.00 -0.54 0.00 0.00 175.26 174.60 3ioq n ALA 136 N 6.50 2.66 0.29 6.30 0.00 -1.26 -4.60 120.51 130.40 3ioq n ALA 136 Ca 0.01 -0.59 0.14 0.00 0.00 0.00 0.00 53.44 53.00 3ioq n ALA 136 Cb 0.48 -0.52 0.36 0.00 0.00 0.00 0.00 19.45 19.77 3ioq n ALA 136 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 3ioq h LYS 137 N 2.61 0.00 -7.06 0.00 2.10 -1.92 -3.37 116.57 108.94 3ioq h LYS 137 Ca 0.00 0.00 -0.54 0.00 -2.00 0.00 0.00 60.65 58.11 3ioq h LYS 137 Cb 0.60 0.00 0.12 0.00 -0.90 0.00 0.00 32.23 32.05 3ioq h LYS 137 CO 0.00 0.00 0.55 0.20 -2.00 0.00 0.00 179.45 178.20 3ioq s GLY 138 N -4.11 2.83 0.36 0.07 0.00 -1.26 -4.84 107.32 100.38 3ioq s GLY 138 Ca 0.06 1.17 0.05 0.00 0.00 0.00 0.00 44.72 46.00 3ioq s GLY 138 CO 0.61 1.64 1.95 0.07 0.00 0.00 0.00 173.10 177.37 3ioq h ARG 139 N 1.36 0.58 -0.36 2.90 -0.00 -1.89 -0.74 114.38 116.23 3ioq h ARG 139 Ca -0.50 -0.08 -0.02 0.00 -0.00 0.00 0.00 59.98 59.37 3ioq h ARG 139 Cb 1.29 -0.11 -0.02 0.00 -0.00 0.00 0.00 29.97 31.14 3ioq h ARG 139 CO 0.57 0.50 0.13 0.00 -0.00 0.00 0.00 179.97 181.17 3ioq h ALA 140 N 1.58 0.47 -0.20 0.08 0.00 -1.92 0.44 119.26 119.71 3ioq h ALA 140 Ca 0.14 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3ioq h ALA 140 Cb 0.15 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3ioq h ALA 140 CO -0.01 0.09 0.07 0.35 0.00 0.00 0.00 179.25 179.75 3ioq h PHE 141 N 0.44 0.32 -0.66 0.00 3.04 -1.73 -1.66 116.94 116.69 3ioq h PHE 141 Ca 0.12 -0.03 0.06 0.00 3.98 0.00 0.00 57.97 62.10 3ioq h PHE 141 Cb 0.21 -0.09 -0.04 0.00 2.56 0.00 0.00 35.95 38.59 3ioq h PHE 141 CO 0.00 0.39 0.44 1.96 -2.02 0.00 0.00 178.31 179.08 3ioq h GLN 142 N 0.16 0.65 -0.34 1.11 4.20 -0.87 -2.32 115.11 117.70 3ioq h GLN 142 Ca 0.07 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.74 3ioq h GLN 142 Cb 0.22 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.85 3ioq h GLN 142 CO -0.00 0.43 0.00 0.09 -0.67 0.00 0.00 178.83 178.68 3ioq n ASN 143 N -4.48 2.74 -4.67 1.46 5.03 0.12 -4.98 115.26 110.48 3ioq n ASN 143 Ca 0.09 -1.90 -0.45 0.00 0.87 0.00 0.00 54.58 53.19 3ioq n ASN 143 Cb 0.22 -0.22 -0.03 0.00 -1.02 0.00 0.00 39.78 38.73 3ioq n ASN 143 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3ioq n TYR 144 N 1.02 2.21 -0.01 3.10 9.36 -0.64 -4.91 117.16 127.29 3ioq n TYR 144 Ca 0.18 0.40 -0.01 0.00 3.32 0.00 0.00 57.90 61.78 3ioq n TYR 144 Cb 0.48 -2.48 -0.02 0.00 -0.63 0.00 0.00 39.34 36.70 3ioq n TYR 144 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 3ioq n ARG 145 N 2.28 2.98 0.00 2.98 1.74 -1.26 -2.42 116.66 122.96 3ioq n ARG 145 Ca 0.12 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.21 3ioq n ARG 145 Cb 0.31 -1.05 0.00 0.00 -1.02 0.00 0.00 32.46 30.70 3ioq n ARG 145 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ioq n GLY 146 N 2.97 -0.08 7.00 -0.13 0.00 -1.26 -3.66 105.19 110.02 3ioq n GLY 146 Ca -0.04 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 44.97 3ioq n GLY 146 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ioq n GLY 147 N -0.31 -1.64 3.62 -0.02 0.00 -1.26 -4.75 105.19 100.82 3ioq n GLY 147 Ca 0.00 -1.32 -0.41 0.00 0.00 0.00 0.00 46.02 44.28 3ioq n GLY 147 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ioq s ILE 148 N 0.00 4.92 -0.17 -0.61 1.01 -1.26 -4.16 121.20 120.92 3ioq s ILE 148 Ca 0.00 1.17 -0.21 0.00 0.00 0.00 0.00 60.65 61.61 3ioq s ILE 148 Cb 0.00 -4.01 -0.03 0.00 0.01 0.00 0.00 42.46 38.43 3ioq s ILE 148 CO 0.00 -0.07 0.64 0.12 0.00 0.00 0.00 174.94 175.63 3ioq s PHE 149 N 2.66 3.42 -0.26 3.97 5.36 0.23 -4.89 117.98 128.47 3ioq s PHE 149 Ca 0.29 0.99 0.05 0.00 -0.96 0.00 0.00 56.93 57.30 3ioq s PHE 149 Cb -0.15 -2.79 -0.06 0.00 -0.34 0.00 0.00 43.02 39.68 3ioq s PHE 149 CO 0.09 -0.11 0.23 0.00 -1.46 0.00 0.00 175.22 173.97 3ioq n ALA 150 N 4.77 2.71 0.00 11.12 0.00 -1.26 -1.20 120.51 136.65 3ioq n ALA 150 Ca -0.01 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.27 3ioq n ALA 150 Cb 0.50 -0.20 0.00 0.00 0.00 0.00 0.00 19.45 19.75 3ioq n ALA 150 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ioq n GLY 151 N 1.15 0.86 3.76 0.00 0.00 -1.26 -4.67 105.19 105.03 3ioq n GLY 151 Ca 0.01 -1.98 -0.41 0.00 0.00 0.00 0.00 46.02 43.64 3ioq n GLY 151 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3ioq s PRO 152 N -1.57 4.46 -0.15 1.61 0.02 -1.26 -4.94 135.00 133.18 3ioq s PRO 152 Ca 0.00 2.04 -0.28 0.00 0.02 0.00 0.00 61.00 62.78 3ioq s PRO 152 Cb 0.00 -3.13 0.07 0.00 0.02 0.00 0.00 34.50 31.46 3ioq s PRO 152 CO 0.00 -0.06 0.69 0.00 -0.33 0.00 0.00 177.00 177.30 3ioq n GLY 154 N 1.71 0.91 0.09 0.00 0.00 -1.26 -4.51 105.19 102.13 3ioq n GLY 154 Ca -0.17 -1.90 0.06 0.00 0.00 0.00 0.00 46.02 44.01 3ioq n GLY 154 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ioq n THR 155 N -0.16 1.34 -2.26 2.61 -2.24 -1.26 -3.81 114.28 108.49 3ioq n THR 155 Ca 0.00 -1.55 -0.41 0.00 -2.27 0.00 0.00 64.05 59.83 3ioq n THR 155 Cb 0.00 0.12 -0.01 0.00 -2.10 0.00 0.00 70.33 68.34 3ioq n THR 155 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3ioq n SER 156 N -0.94 4.33 -4.72 3.42 2.88 -1.26 -4.74 113.62 112.59 3ioq n SER 156 Ca 0.09 -2.86 -0.43 0.00 -1.33 0.00 0.00 58.87 54.34 3ioq n SER 156 Cb 0.53 -1.70 -0.01 0.00 -0.75 0.00 0.00 64.21 62.28 3ioq n SER 156 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 3ioq n ILE 157 N 6.29 1.51 -1.49 2.46 -5.35 -1.26 -4.48 119.36 117.05 3ioq n ILE 157 Ca 0.49 -0.38 0.00 0.00 -0.27 0.00 0.00 62.75 62.59 3ioq n ILE 157 Cb 0.44 -1.72 0.00 0.00 -1.74 0.00 0.00 39.64 36.63 3ioq n ILE 157 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 3ioq n ASP 158 N 1.38 0.00 -3.66 7.28 5.68 -0.35 -4.88 116.55 122.00 3ioq n ASP 158 Ca 0.07 -1.00 -0.08 0.00 -0.50 0.00 0.00 54.79 53.28 3ioq n ASP 158 Cb 0.36 0.00 -0.09 0.00 -1.14 0.00 0.00 41.12 40.25 3ioq n ASP 158 CO 0.00 0.00 0.00 -2.28 -1.33 0.00 0.00 177.20 173.59 3ioq s HIS 159 N 0.00 -0.84 0.03 2.11 5.04 -0.77 -4.89 115.29 115.96 3ioq s HIS 159 Ca 0.00 1.61 -0.21 0.00 -1.54 0.00 0.00 55.06 54.92 3ioq s HIS 159 Cb 0.00 0.37 -0.06 0.00 0.04 0.00 0.00 32.58 32.93 3ioq s HIS 159 CO 0.00 -0.48 0.60 0.00 -2.34 0.00 0.00 174.74 172.52 3ioq s ALA 160 N 2.43 3.51 0.21 1.58 0.00 -1.26 -1.09 121.76 127.14 3ioq s ALA 160 Ca -0.04 0.06 -0.05 0.00 0.00 0.00 0.00 51.96 51.92 3ioq s ALA 160 Cb -0.11 -2.73 -0.03 0.00 0.00 0.00 0.00 23.12 20.25 3ioq s ALA 160 CO -0.14 0.23 0.25 0.14 0.00 0.00 0.00 175.76 176.24 3ioq s VAL 161 N -0.46 0.01 -0.17 0.00 -7.23 -0.56 -4.57 120.40 107.42 3ioq s VAL 161 Ca 0.31 -1.76 -0.01 0.00 -1.81 0.00 0.00 61.98 58.71 3ioq s VAL 161 Cb -0.19 -2.34 -0.01 0.00 0.56 0.00 0.00 36.38 34.41 3ioq s VAL 161 CO 0.18 -0.04 -0.11 0.00 -0.31 0.00 0.00 175.10 174.82 3ioq s ALA 162 N -4.09 2.63 -0.21 1.32 0.00 -0.97 -0.64 121.76 119.80 3ioq s ALA 162 Ca 0.31 -1.05 -0.28 0.00 0.00 0.00 0.00 51.96 50.94 3ioq s ALA 162 Cb 0.04 -1.37 0.00 0.00 0.00 0.00 0.00 23.12 21.79 3ioq s ALA 162 CO 0.10 -0.10 0.99 0.00 0.00 0.00 0.00 175.76 176.75 3ioq s ALA 163 N 0.92 3.62 -0.15 0.00 0.00 0.72 -0.22 121.76 126.65 3ioq s ALA 163 Ca -0.02 0.16 0.01 0.00 0.00 0.00 0.00 51.96 52.11 3ioq s ALA 163 Cb -0.15 -3.47 0.03 0.00 0.00 0.00 0.00 23.12 19.54 3ioq s ALA 163 CO -0.01 -0.92 0.86 1.33 0.00 0.00 0.00 175.76 177.02 3ioq n VAL 164 N 5.13 0.63 -0.51 0.00 0.24 0.11 -1.33 118.33 122.60 3ioq n VAL 164 Ca 0.10 -0.82 0.00 0.00 -2.04 0.00 0.00 64.34 61.58 3ioq n VAL 164 Cb 0.47 0.70 0.00 0.00 -1.47 0.00 0.00 33.84 33.53 3ioq n VAL 164 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ioq n GLY 165 N -0.20 -1.12 3.83 7.63 0.00 -1.09 -0.62 105.19 113.63 3ioq n GLY 165 Ca 0.01 -0.98 -0.07 0.00 0.00 0.00 0.00 46.02 44.99 3ioq n GLY 165 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3ioq s TYR 166 N -2.17 -0.21 0.22 1.61 -0.85 -0.61 -0.67 117.35 114.67 3ioq s TYR 166 Ca 0.00 -0.23 -0.00 0.00 -0.52 0.00 0.00 57.07 56.32 3ioq s TYR 166 Cb 0.00 0.70 0.00 0.00 0.38 0.00 0.00 41.96 43.04 3ioq s TYR 166 CO 0.00 -1.19 0.29 0.41 -1.52 0.00 0.00 175.55 173.54 3ioq n GLY 167 N -0.46 2.61 0.33 5.49 0.00 -0.48 -1.33 105.19 111.36 3ioq n GLY 167 Ca -0.05 -1.57 0.05 0.00 0.00 0.00 0.00 46.02 44.45 3ioq n GLY 167 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3ioq h ASN 168 N 1.26 0.79 -0.42 1.61 2.35 -1.99 -2.96 115.58 116.22 3ioq h ASN 168 Ca -0.17 0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.63 3ioq h ASN 168 Cb 0.76 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 39.02 3ioq h ASN 168 CO 0.23 0.43 0.00 -0.67 -1.65 0.00 0.00 177.43 175.77 3ioq n ASP 169 N -4.69 3.60 -3.56 5.81 2.03 -1.26 -4.86 116.55 113.61 3ioq n ASP 169 Ca 0.16 -2.31 -0.12 0.00 0.52 0.00 0.00 54.79 53.04 3ioq n ASP 169 Cb 0.32 -0.39 -0.04 0.00 -0.72 0.00 0.00 41.12 40.29 3ioq n ASP 169 CO 0.00 0.00 0.00 -0.72 -1.92 0.00 0.00 177.20 174.56 3ioq s TYR 170 N -1.57 -0.35 -0.12 -0.67 -0.85 -1.12 -2.17 117.35 110.49 3ioq s TYR 170 Ca 0.35 0.16 -0.01 0.00 -0.52 0.00 0.00 57.07 57.05 3ioq s TYR 170 Cb 0.22 0.36 -0.02 0.00 0.38 0.00 0.00 41.96 42.90 3ioq s TYR 170 CO 0.18 -0.72 -0.09 0.42 -1.52 0.00 0.00 175.55 173.82 3ioq s ILE 171 N -3.41 3.46 -0.20 -3.49 1.01 0.41 -1.39 121.20 117.59 3ioq s ILE 171 Ca 0.00 -0.53 -0.12 0.00 0.00 0.00 0.00 60.65 60.00 3ioq s ILE 171 Cb 0.00 -2.47 -0.05 0.00 0.01 0.00 0.00 42.46 39.96 3ioq s ILE 171 CO -0.09 0.53 0.24 -0.22 0.00 0.00 0.00 174.94 175.39 3ioq s LEU 172 N 0.08 4.18 -0.05 2.97 2.96 0.15 -1.12 118.68 127.86 3ioq s LEU 172 Ca -0.03 0.33 0.02 0.00 -0.22 0.00 0.00 54.13 54.23 3ioq s LEU 172 Cb -0.14 -2.26 0.02 0.00 0.50 0.00 0.00 46.19 44.31 3ioq s LEU 172 CO 0.04 0.07 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.43 3ioq s ILE 173 N 0.77 0.81 -0.34 6.68 1.01 0.07 -0.71 121.20 129.49 3ioq s ILE 173 Ca 0.12 -0.30 -0.22 0.00 0.00 0.00 0.00 60.65 60.25 3ioq s ILE 173 Cb -0.13 -0.78 0.00 0.00 0.01 0.00 0.00 42.46 41.57 3ioq s ILE 173 CO 0.03 0.28 0.73 -0.75 0.00 0.00 0.00 174.94 175.24 3ioq s LYS 174 N 0.72 3.79 0.42 2.79 2.20 0.70 -1.10 119.74 129.26 3ioq s LYS 174 Ca -0.12 0.30 0.04 0.00 -0.36 0.00 0.00 55.97 55.83 3ioq s LYS 174 Cb -0.14 -3.78 0.00 0.00 -1.51 0.00 0.00 37.83 32.40 3ioq s LYS 174 CO 0.02 -0.76 0.60 1.21 -0.36 0.00 0.00 175.35 176.06 3ioq s ASN 175 N 1.76 5.75 -0.36 1.43 2.47 -0.78 -2.29 114.94 122.92 3ioq s ASN 175 Ca 0.29 -0.06 0.05 0.00 0.42 0.00 0.00 52.86 53.56 3ioq s ASN 175 Cb -0.14 -1.15 0.46 0.00 -1.45 0.00 0.00 41.25 38.97 3ioq s ASN 175 CO 0.15 -0.70 1.39 -1.54 -3.72 0.00 0.00 177.10 172.68 3ioq n SER 176 N -1.93 5.15 -1.19 -4.21 3.41 -1.26 -4.48 113.62 109.11 3ioq n SER 176 Ca 0.03 -3.77 -0.02 0.00 -0.26 0.00 0.00 58.87 54.85 3ioq n SER 176 Cb 0.58 -0.50 0.22 0.00 -0.26 0.00 0.00 64.21 64.25 3ioq n SER 176 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 3ioq n TRP 177 N -0.80 1.24 -0.05 7.33 8.01 -1.18 -0.78 117.44 131.20 3ioq n TRP 177 Ca 0.46 -1.40 0.01 0.00 -1.31 0.00 0.00 57.50 55.25 3ioq n TRP 177 Cb 0.90 -0.48 -0.00 0.00 -2.01 0.00 0.00 31.31 29.72 3ioq n TRP 177 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3ioq n GLY 178 N -0.93 -1.82 0.09 6.99 0.00 -0.28 -4.28 105.19 104.95 3ioq n GLY 178 Ca 0.32 -1.49 0.13 0.00 0.00 0.00 0.00 46.02 44.98 3ioq n GLY 178 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ioq n THR 179 N -2.25 0.52 0.97 2.61 -2.24 -1.26 -3.41 114.28 109.22 3ioq n THR 179 Ca -0.00 -0.18 0.11 0.00 -2.27 0.00 0.00 64.05 61.72 3ioq n THR 179 Cb 0.02 -0.63 0.55 0.00 -2.10 0.00 0.00 70.33 68.18 3ioq n THR 179 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ioq n GLY 180 N 1.20 -1.19 3.76 3.38 0.00 -1.26 -3.30 105.19 107.78 3ioq n GLY 180 Ca 0.05 -0.10 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 3ioq n GLY 180 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3ioq s TRP 181 N -2.78 3.30 0.00 1.61 -0.00 -1.22 -4.96 118.94 114.90 3ioq s TRP 181 Ca 0.17 0.28 0.00 0.00 -0.00 0.00 0.00 56.10 56.55 3ioq s TRP 181 Cb 0.16 -1.81 0.00 0.00 -0.00 0.00 0.00 33.47 31.82 3ioq s TRP 181 CO 0.39 0.56 0.00 0.41 -0.00 0.00 0.00 176.95 178.31 3ioq n GLY 182 N 1.82 1.98 3.44 5.86 0.00 -1.01 -0.09 105.19 117.18 3ioq n GLY 182 Ca -0.17 -0.48 -0.44 0.00 0.00 0.00 0.00 46.02 44.93 3ioq n GLY 182 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ioq s GLU 183 N 0.00 3.95 -1.52 1.61 2.02 0.22 -4.27 118.70 120.71 3ioq s GLU 183 Ca 0.00 -2.46 -0.02 0.00 0.02 0.00 0.00 54.97 52.52 3ioq s GLU 183 Cb 0.00 -4.92 0.01 0.00 0.10 0.00 0.00 34.13 29.32 3ioq s GLU 183 CO 0.00 -1.67 0.16 0.41 0.02 0.00 0.00 175.26 174.18 3ioq n GLY 184 N 4.25 -0.50 0.00 -1.39 0.00 -1.25 -1.46 105.19 104.84 3ioq n GLY 184 Ca 0.30 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.36 3ioq n GLY 184 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ioq n GLY 185 N -1.07 0.14 3.95 -0.02 0.00 0.87 -4.54 105.19 104.51 3ioq n GLY 185 Ca -0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.61 3ioq n GLY 185 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ioq s TYR 186 N -2.00 3.44 -0.00 1.61 1.51 -0.53 -1.87 117.35 119.50 3ioq s TYR 186 Ca 0.00 0.03 0.02 0.00 -1.01 0.00 0.00 57.07 56.11 3ioq s TYR 186 Cb 0.00 -1.60 -0.01 0.00 -0.11 0.00 0.00 41.96 40.25 3ioq s TYR 186 CO 0.00 0.47 -0.07 -1.50 -1.11 0.00 0.00 175.55 173.34 3ioq s ILE 187 N -1.89 0.56 -0.28 2.71 2.07 -0.26 -0.61 121.20 123.50 3ioq s ILE 187 Ca 0.34 -0.37 -0.11 0.00 -1.41 0.00 0.00 60.65 59.10 3ioq s ILE 187 Cb -0.10 -0.48 -0.05 0.00 0.13 0.00 0.00 42.46 41.96 3ioq s ILE 187 CO 0.28 0.12 0.20 -0.13 -1.91 0.00 0.00 174.94 173.50 3ioq s ARG 188 N -0.28 3.95 -0.14 3.50 0.52 -1.26 -0.75 118.95 124.49 3ioq s ARG 188 Ca 0.02 -0.30 -0.04 0.00 -0.52 0.00 0.00 55.73 54.88 3ioq s ARG 188 Cb -0.03 -3.66 -0.03 0.00 0.52 0.00 0.00 34.95 31.74 3ioq s ARG 188 CO -0.00 -0.18 0.01 0.42 0.02 0.00 0.00 175.30 175.57 3ioq s ILE 189 N 1.77 4.37 0.39 1.52 1.01 -0.28 -0.60 121.20 129.39 3ioq s ILE 189 Ca 0.07 -0.20 -0.26 0.00 0.00 0.00 0.00 60.65 60.27 3ioq s ILE 189 Cb -0.16 -2.91 -0.11 0.00 0.01 0.00 0.00 42.46 39.29 3ioq s ILE 189 CO 0.11 0.52 1.20 1.17 0.00 0.00 0.00 174.94 177.94 3ioq n LYS 190 N 3.06 1.82 -2.46 2.79 4.81 -0.34 -0.45 118.16 127.39 3ioq n LYS 190 Ca -0.18 0.64 -0.25 0.00 -0.87 0.00 0.00 58.31 57.66 3ioq n LYS 190 Cb 0.53 -2.25 0.04 0.00 0.02 0.00 0.00 35.03 33.36 3ioq n LYS 190 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 3ioq s ARG 191 N -2.02 2.69 -0.37 1.64 0.52 -0.92 -4.56 118.95 115.91 3ioq s ARG 191 Ca 0.60 -0.25 -0.02 0.00 -0.52 0.00 0.00 55.73 55.53 3ioq s ARG 191 Cb -0.55 -2.32 0.00 0.00 0.52 0.00 0.00 34.95 32.61 3ioq s ARG 191 CO 0.59 -0.79 0.33 0.41 0.02 0.00 0.00 175.30 175.86 3ioq n GLY 192 N -2.57 0.54 3.81 -3.53 0.00 -1.26 -4.91 105.19 97.27 3ioq n GLY 192 Ca 0.06 -0.42 -0.33 0.00 0.00 0.00 0.00 46.02 45.33 3ioq n GLY 192 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ioq s SER 193 N -3.09 5.98 0.45 1.61 0.15 -1.26 -4.98 113.70 112.56 3ioq s SER 193 Ca 0.16 1.78 0.25 0.00 0.70 0.00 0.00 55.95 58.84 3ioq s SER 193 Cb -0.07 -2.53 0.94 0.00 -1.71 0.00 0.00 66.02 62.65 3ioq s SER 193 CO 0.20 -1.03 1.83 1.23 1.20 0.00 0.00 173.24 176.67 3ioq h GLY 194 N 0.61 0.00 -4.24 9.45 0.00 -1.96 -3.45 103.07 103.49 3ioq h GLY 194 Ca -0.47 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.34 3ioq h GLY 194 CO 0.58 0.00 0.57 -1.31 0.00 0.00 0.00 176.54 176.38 3ioq s ASN 195 N -6.14 7.07 0.48 0.19 0.01 -1.26 -4.92 114.94 110.37 3ioq s ASN 195 Ca 0.01 2.20 0.18 0.00 -0.71 0.00 0.00 52.86 54.55 3ioq s ASN 195 Cb 0.10 -2.60 1.20 0.00 0.41 0.00 0.00 41.25 40.36 3ioq s ASN 195 CO 0.63 -0.40 2.01 -0.65 -1.51 0.00 0.00 177.10 177.18 3ioq h PRO 196 N 5.60 0.18 -0.02 -0.60 0.11 -1.95 -0.19 132.00 135.14 3ioq h PRO 196 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3ioq h PRO 196 Cb 1.21 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3ioq h PRO 196 CO 0.76 0.12 0.00 1.04 -0.21 0.00 0.00 178.00 179.72 3ioq n GLN 197 N -4.45 1.26 -0.34 1.05 6.02 -1.26 -4.46 117.38 115.20 3ioq n GLN 197 Ca 0.08 -0.38 0.04 0.00 -0.01 0.00 0.00 57.00 56.73 3ioq n GLN 197 Cb 0.41 -1.45 -0.01 0.00 1.02 0.00 0.00 30.24 30.21 3ioq n GLN 197 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ioq n GLY 198 N 1.03 -1.82 3.69 1.08 0.00 -0.08 -0.63 105.19 108.46 3ioq n GLY 198 Ca 0.20 -1.42 -0.43 0.00 0.00 0.00 0.00 46.02 44.37 3ioq n GLY 198 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ioq n ALA 199 N -2.12 2.16 -1.34 4.61 0.00 -1.26 -1.77 120.51 120.78 3ioq n ALA 199 Ca -0.00 0.34 -0.12 0.00 0.00 0.00 0.00 53.44 53.65 3ioq n ALA 199 Cb 0.16 -2.56 -0.05 0.00 0.00 0.00 0.00 19.45 17.00 3ioq n ALA 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ioq n GLY 201 N -0.28 0.55 0.32 0.00 0.00 -0.73 -0.55 105.19 104.50 3ioq n GLY 201 Ca -0.12 -0.98 0.19 0.00 0.00 0.00 0.00 46.02 45.11 3ioq n GLY 201 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3ioq h VAL 202 N 0.00 0.28 -0.35 1.61 3.04 -1.00 -0.68 116.25 119.15 3ioq h VAL 202 Ca -0.05 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.64 3ioq h VAL 202 Cb 0.18 0.97 0.00 0.00 -2.01 0.00 0.00 31.29 30.42 3ioq h VAL 202 CO 0.07 0.00 0.00 0.18 -1.01 0.00 0.00 177.57 176.81 3ioq n LEU 203 N -3.48 2.75 -0.14 3.16 4.77 0.20 -4.45 117.00 119.83 3ioq n LEU 203 Ca -0.02 -1.22 -0.12 0.00 -0.03 0.00 0.00 56.01 54.61 3ioq n LEU 203 Cb 0.12 -0.22 -0.01 0.00 -2.33 0.00 0.00 43.42 40.97 3ioq n LEU 203 CO 0.24 0.61 0.61 0.28 -1.33 0.00 0.00 177.39 177.79 3ioq h SER 204 N 3.47 0.99 -0.80 -1.43 0.02 -1.22 -1.14 113.55 113.44 3ioq h SER 204 Ca 0.00 -0.43 0.06 0.00 -0.84 0.00 0.00 61.79 60.57 3ioq h SER 204 Cb 0.77 -0.28 -0.20 0.00 0.14 0.00 0.00 62.40 62.83 3ioq h SER 204 CO 0.00 1.21 -0.30 -0.62 -1.14 0.00 0.00 176.83 175.98 3ioq s ASP 205 N -6.75 -1.29 -0.11 3.07 2.15 -1.26 -4.65 116.67 107.82 3ioq s ASP 205 Ca -0.11 -0.06 0.02 0.00 0.43 0.00 0.00 52.55 52.83 3ioq s ASP 205 Cb 0.11 1.76 0.01 0.00 -0.30 0.00 0.00 42.92 44.51 3ioq s ASP 205 CO 0.87 -0.21 -0.18 -0.44 -0.17 0.00 0.00 175.17 175.04 3ioq s SER 206 N 2.60 2.64 0.11 -0.34 0.01 -1.26 -3.61 113.70 113.85 3ioq s SER 206 Ca 0.15 -0.48 0.03 0.00 1.31 0.00 0.00 55.95 56.96 3ioq s SER 206 Cb -0.06 -1.20 -0.04 0.00 0.21 0.00 0.00 66.02 64.93 3ioq s SER 206 CO -0.21 0.06 -0.08 0.68 0.41 0.00 0.00 173.24 174.10 3ioq s VAL 207 N 0.81 0.84 -0.02 3.43 -7.23 -0.04 -1.24 120.40 116.93 3ioq s VAL 207 Ca -0.09 -1.91 -0.17 0.00 -1.81 0.00 0.00 61.98 57.99 3ioq s VAL 207 Cb -0.16 -1.66 0.03 0.00 0.56 0.00 0.00 36.38 35.16 3ioq s VAL 207 CO 0.01 -0.79 0.37 0.72 -0.31 0.00 0.00 175.10 175.09 3ioq s PHE 208 N -3.35 -0.27 0.34 2.82 -0.71 -0.44 -0.90 117.98 115.47 3ioq s PHE 208 Ca 0.12 0.44 -0.24 0.00 -1.04 0.00 0.00 56.93 56.21 3ioq s PHE 208 Cb 0.03 0.15 -0.10 0.00 -1.21 0.00 0.00 43.02 41.89 3ioq s PHE 208 CO -0.03 -0.42 0.92 -1.25 -1.34 0.00 0.00 175.22 173.10 3ioq s PRO 209 N -1.25 4.43 0.01 1.99 0.04 -1.26 -0.19 135.00 138.77 3ioq s PRO 209 Ca -0.13 1.20 0.04 0.00 0.04 0.00 0.00 61.00 62.15 3ioq s PRO 209 Cb -0.04 -2.62 -0.03 0.00 0.04 0.00 0.00 34.50 31.85 3ioq s PRO 209 CO 0.05 0.20 -0.11 0.95 0.04 0.00 0.00 177.00 178.13 3ioq s THR 210 N -1.78 3.35 -0.23 1.26 -4.23 -0.35 -4.82 115.64 108.83 3ioq s THR 210 Ca 0.53 -0.90 -0.16 0.00 -1.18 0.00 0.00 61.69 59.98 3ioq s THR 210 Cb -0.15 -2.44 0.07 0.00 1.34 0.00 0.00 72.50 71.32 3ioq s THR 210 CO 0.20 0.39 0.59 -0.75 -0.54 0.00 0.00 174.62 174.50 3ioq s LYS 211 N -1.39 0.62 0.24 3.99 2.20 -1.26 -0.20 119.74 123.94 3ioq s LYS 211 Ca 0.16 0.98 -0.13 0.00 -0.36 0.00 0.00 55.97 56.62 3ioq s LYS 211 Cb -0.11 0.17 -0.08 0.00 -1.51 0.00 0.00 37.83 36.30 3ioq s LYS 211 CO 0.07 -0.13 0.62 -0.80 -0.36 0.00 0.00 175.35 174.74 3ioq s ASN 212 N 1.12 6.75 0.00 1.43 0.01 -1.26 -4.93 114.94 118.07 3ioq s ASN 212 Ca -0.06 1.11 0.05 0.00 -0.71 0.00 0.00 52.86 53.25 3ioq s ASN 212 Cb -0.06 -2.30 0.33 0.00 0.41 0.00 0.00 41.25 39.63 3ioq s ASN 212 CO -0.11 -0.06 0.80 0.54 -1.51 0.00 0.00 177.10 176.76