#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ihq s VAL 2 N 0.00 5.29 -0.12 1.12 1.01 -1.11 -4.59 120.40 122.00 3ihq s VAL 2 Ca 0.00 0.25 -0.00 0.00 0.00 0.00 0.00 61.98 62.23 3ihq s VAL 2 Cb 0.00 -3.56 -0.02 0.00 0.00 0.00 0.00 36.38 32.80 3ihq s VAL 2 CO 0.00 0.41 -0.12 -0.89 0.00 0.00 0.00 175.10 174.50 3ihq s THR 3 N -1.25 3.13 -0.30 3.92 2.01 0.08 -1.08 115.64 122.14 3ihq s THR 3 Ca 0.26 -0.64 -0.02 0.00 0.31 0.00 0.00 61.69 61.60 3ihq s THR 3 Cb -0.13 -2.31 0.05 0.00 0.01 0.00 0.00 72.50 70.12 3ihq s THR 3 CO 0.14 0.53 0.01 -0.22 -0.69 0.00 0.00 174.62 174.39 3ihq s LEU 4 N 0.21 3.92 -0.35 4.42 2.96 0.08 -1.30 118.68 128.63 3ihq s LEU 4 Ca -0.08 -1.26 -0.23 0.00 -0.22 0.00 0.00 54.13 52.34 3ihq s LEU 4 Cb -0.15 -1.72 0.01 0.00 0.50 0.00 0.00 46.19 44.82 3ihq s LEU 4 CO 0.05 -0.26 0.77 -0.31 -1.32 0.00 0.00 176.35 175.28 3ihq s TYR 5 N 1.26 3.14 0.38 5.38 4.12 0.60 -1.10 117.35 131.13 3ihq s TYR 5 Ca -0.05 0.61 0.04 0.00 0.02 0.00 0.00 57.07 57.70 3ihq s TYR 5 Cb -0.20 -3.33 -0.02 0.00 -1.52 0.00 0.00 41.96 36.90 3ihq s TYR 5 CO -0.01 -0.68 0.15 0.25 0.02 0.00 0.00 175.55 175.28 3ihq n THR 6 N 5.70 0.00 -3.15 -0.71 -2.24 -0.31 -1.29 114.28 112.29 3ihq n THR 6 Ca 0.03 -2.24 0.02 0.00 -2.27 0.00 0.00 64.05 59.60 3ihq n THR 6 Cb 0.48 0.83 -0.00 0.00 -2.10 0.00 0.00 70.33 69.54 3ihq n THR 6 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3ihq s SER 7 N -3.34 -1.39 0.28 3.42 1.04 -1.26 -1.24 113.70 111.21 3ihq s SER 7 Ca 0.21 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.28 3ihq s SER 7 Cb 0.01 1.80 0.00 0.00 0.10 0.00 0.00 66.02 67.93 3ihq s SER 7 CO 0.15 -0.19 0.00 -2.65 0.98 0.00 0.00 173.24 171.52 3ihq n PRO 8 N 4.72 1.25 -0.99 4.02 -0.02 -1.26 -3.26 135.00 139.46 3ihq n PRO 8 Ca 0.08 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.51 3ihq n PRO 8 Cb 0.57 -0.57 -0.02 0.00 -0.02 0.00 0.00 33.50 33.46 3ihq n PRO 8 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3ihq n SER 9 N 1.70 -4.33 -4.34 2.55 2.88 -1.26 -4.90 113.62 105.91 3ihq n SER 9 Ca 0.00 0.13 -0.36 0.00 -1.33 0.00 0.00 58.87 57.31 3ihq n SER 9 Cb 0.00 -3.08 -0.13 0.00 -0.75 0.00 0.00 64.21 60.25 3ihq n SER 9 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 3ihq s SER 10 N -1.77 4.77 0.14 -3.46 0.15 -1.20 -4.99 113.70 107.34 3ihq s SER 10 Ca 0.00 -0.50 -0.13 0.00 0.70 0.00 0.00 55.95 56.03 3ihq s SER 10 Cb 0.00 -1.82 -0.00 0.00 -1.71 0.00 0.00 66.02 62.49 3ihq s SER 10 CO 0.00 -0.09 1.57 0.74 1.20 0.00 0.00 173.24 176.66 3ihq h THR 11 N 5.76 1.27 -0.46 6.45 2.02 -1.91 -2.23 112.91 123.81 3ihq h THR 11 Ca -0.37 -1.14 -0.02 0.00 0.77 0.00 0.00 66.41 65.65 3ihq h THR 11 Cb 1.15 1.08 -0.02 0.00 -1.74 0.00 0.00 68.15 68.62 3ihq h THR 11 CO 0.59 0.39 0.19 0.77 0.37 0.00 0.00 175.52 177.83 3ihq h SER 12 N 0.68 0.58 -0.37 4.18 4.64 -1.94 -0.54 113.55 120.78 3ihq h SER 12 Ca 0.12 -0.06 -0.11 0.00 -0.47 0.00 0.00 61.79 61.27 3ihq h SER 12 Cb 0.57 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.50 3ihq h SER 12 CO 0.03 0.52 -0.22 0.00 -0.87 0.00 0.00 176.83 176.30 3ihq h ARG 14 N 0.59 1.28 -0.43 0.00 2.43 -0.77 -0.52 114.38 116.97 3ihq h ARG 14 Ca 0.08 -0.11 -0.04 0.00 -0.81 0.00 0.00 59.98 59.10 3ihq h ARG 14 Cb 0.78 -0.27 -0.02 0.00 -0.42 0.00 0.00 29.97 30.03 3ihq h ARG 14 CO 0.06 0.88 0.10 0.87 -1.51 0.00 0.00 179.97 180.38 3ihq h LYS 15 N 1.30 0.69 -0.30 0.20 1.57 -0.95 -0.92 116.57 118.16 3ihq h LYS 15 Ca 0.34 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.94 3ihq h LYS 15 Cb -0.08 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 3ihq h LYS 15 CO -0.07 0.70 0.11 0.00 -0.57 0.00 0.00 179.45 179.62 3ihq h ALA 16 N 0.96 0.39 -0.49 3.86 0.00 -0.92 -0.81 119.26 122.25 3ihq h ALA 16 Ca 0.13 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ihq h ALA 16 Cb 0.32 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3ihq h ALA 16 CO 0.00 0.01 0.33 -0.09 0.00 0.00 0.00 179.25 179.49 3ihq h ARG 17 N 0.33 0.65 -0.62 0.00 2.43 -1.01 -1.28 114.38 114.87 3ihq h ARG 17 Ca 0.10 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.18 3ihq h ARG 17 Cb 0.21 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.59 3ihq h ARG 17 CO -0.01 0.43 0.18 0.00 -1.51 0.00 0.00 179.97 179.06 3ihq h ALA 18 N 1.18 1.14 -0.43 2.80 0.00 -1.03 -1.32 119.26 121.60 3ihq h ALA 18 Ca 0.18 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3ihq h ALA 18 Cb -0.08 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 3ihq h ALA 18 CO -0.04 0.59 0.16 2.35 0.00 0.00 0.00 179.25 182.31 3ihq h TRP 19 N 0.92 0.66 -0.26 0.00 7.01 -0.60 0.36 115.95 124.03 3ihq h TRP 19 Ca 0.20 -0.06 -0.02 0.00 2.11 0.00 0.00 58.89 61.12 3ihq h TRP 19 Cb 0.29 -0.20 -0.01 0.00 -2.10 0.00 0.00 29.16 27.14 3ihq h TRP 19 CO 0.02 0.59 0.07 -0.07 -2.79 0.00 0.00 178.44 176.25 3ihq h LEU 20 N 0.54 0.39 -0.34 0.65 3.38 -0.93 -2.24 115.31 116.76 3ihq h LEU 20 Ca 0.14 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3ihq h LEU 20 Cb 0.21 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3ihq h LEU 20 CO -0.01 0.52 0.19 -0.33 0.09 0.00 0.00 178.44 178.89 3ihq h GLU 21 N 0.25 0.47 -0.23 1.13 5.08 -1.12 -0.86 114.58 119.31 3ihq h GLU 21 Ca 0.08 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3ihq h GLU 21 Cb 0.27 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 3ihq h GLU 21 CO 0.00 0.39 0.09 1.49 -1.00 0.00 0.00 179.01 179.98 3ihq h GLU 22 N 0.42 0.32 -0.66 2.33 4.57 -0.85 -2.05 114.58 118.67 3ihq h GLU 22 Ca 0.12 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.27 3ihq h GLU 22 Cb 0.06 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.58 3ihq h GLU 22 CO -0.02 0.28 0.00 0.72 -1.18 0.00 0.00 179.01 178.81 3ihq n HIS 23 N -4.43 1.32 -3.80 0.92 8.25 -0.85 -4.95 115.22 111.68 3ihq n HIS 23 Ca 0.00 -0.54 -0.27 0.00 -0.26 0.00 0.00 57.72 56.65 3ihq n HIS 23 Cb 0.13 -0.19 0.04 0.00 1.12 0.00 0.00 29.99 31.09 3ihq n HIS 23 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3ihq n GLU 24 N 1.14 -5.90 -3.32 -0.41 1.02 -0.77 -4.96 120.64 107.44 3ihq n GLU 24 Ca 0.24 0.65 -0.40 0.00 -0.02 0.00 0.00 57.16 57.63 3ihq n GLU 24 Cb 0.80 -5.51 -0.08 0.00 -0.02 0.00 0.00 31.44 26.62 3ihq n GLU 24 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3ihq s ILE 25 N -3.38 5.11 0.21 -3.67 -1.09 -0.37 -5.04 121.20 112.97 3ihq s ILE 25 Ca 0.50 0.53 -0.31 0.00 -2.23 0.00 0.00 60.65 59.14 3ihq s ILE 25 Cb -0.24 -3.81 -0.11 0.00 -1.58 0.00 0.00 42.46 36.72 3ihq s ILE 25 CO 0.81 0.02 1.59 -2.84 -1.23 0.00 0.00 174.94 173.28 3ihq s PRO 26 N 2.20 4.19 0.09 2.79 0.02 -1.26 -4.62 135.00 138.41 3ihq s PRO 26 Ca 0.17 2.45 -0.19 0.00 0.02 0.00 0.00 61.00 63.45 3ihq s PRO 26 Cb -0.16 -3.10 0.04 0.00 0.02 0.00 0.00 34.50 31.30 3ihq s PRO 26 CO 0.11 -0.61 0.46 -0.59 -0.33 0.00 0.00 177.00 176.04 3ihq s PHE 27 N 0.75 -0.32 -0.08 6.54 -0.12 -1.26 -2.77 117.98 120.72 3ihq s PHE 27 Ca 0.68 0.17 0.03 0.00 -0.05 0.00 0.00 56.93 57.75 3ihq s PHE 27 Cb -0.46 0.31 -0.02 0.00 -0.63 0.00 0.00 43.02 42.23 3ihq s PHE 27 CO 0.36 -0.68 -0.16 0.14 -0.05 0.00 0.00 175.22 174.83 3ihq s VAL 28 N -3.19 2.82 -0.24 -2.49 -7.23 -0.24 -4.97 120.40 104.86 3ihq s VAL 28 Ca -0.01 -0.78 -0.09 0.00 -1.81 0.00 0.00 61.98 59.29 3ihq s VAL 28 Cb 0.00 -2.12 -0.04 0.00 0.56 0.00 0.00 36.38 34.78 3ihq s VAL 28 CO -0.08 0.56 0.10 -0.70 -0.31 0.00 0.00 175.10 174.68 3ihq s GLU 29 N -0.19 3.85 -0.24 4.82 2.12 -1.26 -0.74 118.70 127.06 3ihq s GLU 29 Ca -0.01 -0.38 -0.08 0.00 0.36 0.00 0.00 54.97 54.86 3ihq s GLU 29 Cb -0.13 -3.39 -0.03 0.00 0.26 0.00 0.00 34.13 30.83 3ihq s GLU 29 CO 0.03 -0.04 0.08 1.03 -0.54 0.00 0.00 175.26 175.82 3ihq s ARG 30 N 1.26 3.74 -0.49 4.30 1.81 -0.26 -4.97 118.95 124.34 3ihq s ARG 30 Ca 0.06 -0.44 -0.25 0.00 -1.72 0.00 0.00 55.73 53.38 3ihq s ARG 30 Cb -0.14 -3.33 0.03 0.00 -0.45 0.00 0.00 34.95 31.05 3ihq s ARG 30 CO 0.05 -0.11 0.92 1.21 -0.68 0.00 0.00 175.30 176.69 3ihq s ASN 31 N 1.41 6.43 0.50 0.23 3.84 -1.26 -1.16 114.94 124.94 3ihq s ASN 31 Ca 0.06 -0.07 0.18 0.00 0.21 0.00 0.00 52.86 53.24 3ihq s ASN 31 Cb -0.15 -2.44 1.26 0.00 -0.55 0.00 0.00 41.25 39.37 3ihq s ASN 31 CO 0.04 -1.11 2.10 0.16 -2.79 0.00 0.00 177.10 175.51 3ihq h ILE 32 N 6.05 0.95 0.02 -5.21 3.07 -1.36 -1.57 117.51 119.47 3ihq h ILE 32 Ca -0.25 -0.25 -0.17 0.00 1.55 0.00 0.00 64.86 65.74 3ihq h ILE 32 Cb 1.08 1.14 0.01 0.00 -0.27 0.00 0.00 36.82 38.78 3ihq h ILE 32 CO 1.04 0.07 -0.67 -0.26 -1.05 0.00 0.00 178.15 177.28 3ihq h PHE 33 N 0.00 0.64 -0.19 0.16 0.05 -1.91 -1.96 116.94 113.74 3ihq h PHE 33 Ca -0.00 -0.36 -0.18 0.00 3.82 0.00 0.00 57.97 61.25 3ihq h PHE 33 Cb 0.13 -0.07 -0.00 0.00 2.00 0.00 0.00 35.95 38.01 3ihq h PHE 33 CO 0.00 1.19 -0.60 0.66 -0.18 0.00 0.00 178.31 179.39 3ihq h SER 34 N -0.09 0.70 -2.89 2.17 4.64 -1.92 -3.39 113.55 112.77 3ihq h SER 34 Ca -0.09 -0.40 -0.58 0.00 -0.47 0.00 0.00 61.79 60.26 3ihq h SER 34 Cb 1.39 -0.20 -0.40 0.00 -0.31 0.00 0.00 62.40 62.88 3ihq h SER 34 CO 0.13 1.14 -0.80 -1.61 -0.87 0.00 0.00 176.83 174.82 3ihq s GLU 35 N -3.94 0.67 0.91 4.77 0.41 -0.60 -5.11 118.70 115.81 3ihq s GLU 35 Ca -0.08 -1.32 -0.13 0.00 -0.41 0.00 0.00 54.97 53.03 3ihq s GLU 35 Cb 0.11 -1.59 0.04 0.00 -1.78 0.00 0.00 34.13 30.91 3ihq s GLU 35 CO 0.86 -1.14 0.57 -2.30 -0.49 0.00 0.00 175.26 172.75 3ihq n PRO 36 N 4.23 -0.19 -2.04 0.39 -0.02 -0.74 -4.31 135.00 132.32 3ihq n PRO 36 Ca 0.07 -0.01 -0.41 0.00 -2.02 0.00 0.00 63.50 61.13 3ihq n PRO 36 Cb 0.38 -1.95 -0.02 0.00 -0.02 0.00 0.00 33.50 31.89 3ihq n PRO 36 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3ihq s LEU 37 N -1.93 4.40 0.86 2.45 1.43 -1.26 -5.00 118.68 119.63 3ihq s LEU 37 Ca 0.60 2.76 -0.12 0.00 -1.03 0.00 0.00 54.13 56.34 3ihq s LEU 37 Cb -0.24 -3.65 0.11 0.00 0.03 0.00 0.00 46.19 42.44 3ihq s LEU 37 CO 0.64 -0.62 1.15 -0.94 0.23 0.00 0.00 176.35 176.81 3ihq s SER 38 N -0.31 3.99 0.27 2.29 1.04 -1.26 -4.38 113.70 115.33 3ihq s SER 38 Ca 0.51 0.91 -0.04 0.00 0.48 0.00 0.00 55.95 57.81 3ihq s SER 38 Cb -0.41 -1.46 0.34 0.00 0.10 0.00 0.00 66.02 64.58 3ihq s SER 38 CO 0.54 -2.24 1.91 0.40 0.98 0.00 0.00 173.24 174.83 3ihq h ILE 39 N -1.29 1.24 -0.43 -1.02 1.08 -1.95 -2.03 117.51 113.11 3ihq h ILE 39 Ca -0.48 -0.52 -0.10 0.00 -0.39 0.00 0.00 64.86 63.36 3ihq h ILE 39 Cb 1.33 0.04 -0.02 0.00 -3.07 0.00 0.00 36.82 35.10 3ihq h ILE 39 CO 0.64 0.25 -0.14 0.44 -0.69 0.00 0.00 178.15 178.64 3ihq h ASP 40 N 1.17 0.79 -0.45 1.72 3.32 -2.00 -2.29 116.42 118.68 3ihq h ASP 40 Ca 0.30 -0.25 -0.10 0.00 0.02 0.00 0.00 57.03 57.00 3ihq h ASP 40 Cb -0.04 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.28 3ihq h ASP 40 CO -0.06 0.94 -0.11 -0.33 -1.72 0.00 0.00 179.24 177.97 3ihq h GLU 41 N 0.71 0.92 -0.53 3.56 5.08 -1.81 -1.16 114.58 121.35 3ihq h GLU 41 Ca 0.11 -0.32 -0.07 0.00 -1.00 0.00 0.00 59.36 58.08 3ihq h GLU 41 Cb 0.64 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 3ihq h GLU 41 CO 0.04 0.98 0.05 0.82 -1.00 0.00 0.00 179.01 179.90 3ihq h ILE 42 N 0.83 1.26 -0.48 3.13 2.04 -1.26 -2.03 117.51 120.99 3ihq h ILE 42 Ca 0.13 -1.01 -0.09 0.00 1.00 0.00 0.00 64.86 64.90 3ihq h ILE 42 Cb 0.64 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 3ihq h ILE 42 CO 0.04 0.36 -0.07 0.11 0.00 0.00 0.00 178.15 178.60 3ihq h LYS 43 N 0.77 0.85 -0.56 2.37 1.57 -1.23 -0.97 116.57 119.37 3ihq h LYS 43 Ca 0.16 -0.27 0.01 0.00 -1.87 0.00 0.00 60.65 58.68 3ihq h LYS 43 Cb 0.45 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.65 3ihq h LYS 43 CO 0.02 0.89 0.36 0.37 -0.57 0.00 0.00 179.45 180.51 3ihq h GLN 44 N 0.77 0.70 -0.02 3.15 4.15 -0.96 0.22 115.11 123.12 3ihq h GLN 44 Ca 0.14 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.51 3ihq h GLN 44 Cb 0.56 -0.16 -0.00 0.00 0.21 0.00 0.00 27.48 28.09 3ihq h GLN 44 CO 0.03 0.46 0.00 0.82 -1.93 0.00 0.00 178.83 178.22 3ihq h ILE 45 N 0.72 1.23 -0.89 2.39 2.04 -1.10 -3.14 117.51 118.76 3ihq h ILE 45 Ca 0.21 -0.69 0.06 0.00 1.00 0.00 0.00 64.86 65.44 3ihq h ILE 45 Cb -0.04 1.66 -0.06 0.00 -0.74 0.00 0.00 36.82 37.64 3ihq h ILE 45 CO -0.07 0.18 0.58 -0.07 0.00 0.00 0.00 178.15 178.78 3ihq h LEU 46 N -0.25 0.90 -2.04 1.44 3.38 -0.94 -0.43 115.31 117.37 3ihq h LEU 46 Ca 0.01 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.06 3ihq h LEU 46 Cb 0.30 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3ihq h LEU 46 CO 0.00 0.59 0.20 -0.09 0.09 0.00 0.00 178.44 179.23 3ihq h ARG 47 N 1.03 0.00 -0.01 1.13 2.43 -0.91 -1.12 114.38 116.93 3ihq h ARG 47 Ca 0.38 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.55 3ihq h ARG 47 Cb 0.17 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 3ihq h ARG 47 CO -0.14 0.00 -0.20 -1.33 -1.51 0.00 0.00 179.97 176.79 3ihq n MET 48 N -4.35 0.85 -2.46 0.20 2.81 -0.18 -4.90 117.12 109.10 3ihq n MET 48 Ca 0.03 -0.46 -0.27 0.00 -1.81 0.00 0.00 57.70 55.20 3ihq n MET 48 Cb 0.36 -1.49 0.02 0.00 -0.71 0.00 0.00 33.22 31.40 3ihq n MET 48 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 3ihq s THR 49 N -2.46 4.01 -0.13 2.03 -4.23 -0.43 -4.87 115.64 109.56 3ihq s THR 49 Ca 0.26 0.06 0.05 0.00 -1.18 0.00 0.00 61.69 60.88 3ihq s THR 49 Cb 0.20 -3.57 -0.11 0.00 1.34 0.00 0.00 72.50 70.35 3ihq s THR 49 CO 0.50 -0.58 -0.05 -1.84 -0.54 0.00 0.00 174.62 172.11 3ihq n GLU 50 N -2.49 1.18 0.05 3.99 0.00 -1.26 -4.60 120.64 117.51 3ihq n GLU 50 Ca 0.03 0.04 -0.06 0.00 0.00 0.00 0.00 57.16 57.18 3ihq n GLU 50 Cb 0.57 -1.29 -0.10 0.00 0.00 0.00 0.00 31.44 30.62 3ihq n GLU 50 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 3ihq h ASP 51 N 0.00 0.00 0.00 -1.84 3.32 -1.95 -3.50 116.42 112.45 3ihq h ASP 51 Ca -0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.74 3ihq h ASP 51 Cb 1.59 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.14 3ihq h ASP 51 CO -0.02 0.91 0.00 0.61 -1.72 0.00 0.00 179.24 179.02 3ihq n GLY 52 N 1.38 0.87 0.35 2.75 0.00 -1.26 -4.49 105.19 104.79 3ihq n GLY 52 Ca -0.04 -1.68 0.03 0.00 0.00 0.00 0.00 46.02 44.34 3ihq n GLY 52 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3ihq h THR 53 N 0.00 1.10 0.00 2.61 1.35 -1.97 -2.36 112.91 113.65 3ihq h THR 53 Ca 0.00 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 3ihq h THR 53 Cb 0.00 0.09 0.00 0.00 -1.73 0.00 0.00 68.15 66.51 3ihq h THR 53 CO 0.00 0.17 0.13 0.44 -0.25 0.00 0.00 175.52 176.01 3ihq h ASP 54 N 0.93 0.00 1.64 5.36 5.19 -1.93 -0.62 116.42 126.98 3ihq h ASP 54 Ca 0.32 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.72 3ihq h ASP 54 Cb 0.09 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.60 3ihq h ASP 54 CO -0.10 0.00 -0.37 -0.08 -3.12 0.00 0.00 179.24 175.58 3ihq h GLU 55 N 0.00 0.00 0.00 3.56 4.81 -1.72 -3.38 114.58 117.84 3ihq h GLU 55 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3ihq h GLU 55 Cb 0.27 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.65 3ihq h GLU 55 CO 0.00 0.03 -0.50 0.44 -0.73 0.00 0.00 179.01 178.25 3ihq n ILE 56 N -2.97 0.00 -2.58 2.32 -5.35 -0.34 -4.94 119.36 105.50 3ihq n ILE 56 Ca 0.02 -0.27 -0.42 0.00 -0.27 0.00 0.00 62.75 61.82 3ihq n ILE 56 Cb 0.55 0.76 -0.04 0.00 -1.74 0.00 0.00 39.64 39.18 3ihq n ILE 56 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 3ihq s ILE 57 N -1.53 4.29 -0.35 7.28 -1.09 -0.63 -0.40 121.20 128.77 3ihq s ILE 57 Ca 0.00 1.78 -0.18 0.00 -2.23 0.00 0.00 60.65 60.02 3ihq s ILE 57 Cb 0.01 -4.14 -0.00 0.00 -1.58 0.00 0.00 42.46 36.74 3ihq s ILE 57 CO 0.04 0.21 0.50 -0.55 -1.23 0.00 0.00 174.94 173.91 3ihq s SER 58 N 0.50 6.31 0.41 3.58 0.15 0.42 -4.65 113.70 120.40 3ihq s SER 58 Ca 0.52 -0.05 0.22 0.00 0.70 0.00 0.00 55.95 57.34 3ihq s SER 58 Cb -0.26 -2.26 0.38 0.00 -1.71 0.00 0.00 66.02 62.16 3ihq s SER 58 CO 0.31 -0.47 1.61 0.71 1.20 0.00 0.00 173.24 176.59 3ihq h THR 59 N 5.61 0.26 -0.14 6.45 1.35 -1.95 -2.36 112.91 122.13 3ihq h THR 59 Ca -0.28 -1.29 0.00 0.00 -0.55 0.00 0.00 66.41 64.29 3ihq h THR 59 Cb 1.13 2.06 0.00 0.00 -1.73 0.00 0.00 68.15 69.61 3ihq h THR 59 CO 0.77 0.14 0.00 -2.11 -0.25 0.00 0.00 175.52 174.07 3ihq n ARG 60 N -3.15 1.45 -1.64 4.72 1.85 -1.26 -4.79 116.66 113.85 3ihq n ARG 60 Ca 0.03 -0.69 -0.60 0.00 -1.00 0.00 0.00 57.85 55.59 3ihq n ARG 60 Cb 0.56 -1.29 -0.09 0.00 -1.05 0.00 0.00 32.46 30.60 3ihq n ARG 60 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 3ihq n SER 61 N -0.04 1.84 0.07 2.89 2.88 -0.89 -4.74 113.62 115.63 3ihq n SER 61 Ca 0.12 0.99 0.20 0.00 -1.33 0.00 0.00 58.87 58.85 3ihq n SER 61 Cb 0.21 -1.05 0.59 0.00 -0.75 0.00 0.00 64.21 63.21 3ihq n SER 61 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 3ihq h LYS 62 N 7.34 0.00 -0.12 -1.46 5.09 -1.90 1.39 116.57 126.91 3ihq h LYS 62 Ca -0.39 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.35 3ihq h LYS 62 Cb 1.35 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.68 3ihq h LYS 62 CO 0.99 0.00 0.00 1.55 -2.09 0.00 0.00 179.45 179.90 3ihq n VAL 63 N -3.30 0.20 1.83 0.07 3.14 -1.26 -4.39 118.33 114.61 3ihq n VAL 63 Ca 0.10 -0.60 0.07 0.00 -2.96 0.00 0.00 64.34 60.95 3ihq n VAL 63 Cb 0.89 1.19 0.42 0.00 -1.06 0.00 0.00 33.84 35.27 3ihq n VAL 63 CO 0.00 0.00 0.00 0.33 -6.46 0.00 0.00 176.83 170.70 3ihq n PHE 64 N 0.98 0.00 0.99 1.45 -0.00 0.48 -0.81 117.46 120.56 3ihq n PHE 64 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.57 3ihq n PHE 64 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.93 3ihq n PHE 64 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 176.76 177.70 3ihq n GLN 65 N -0.74 0.99 -1.48 -4.13 -0.06 -1.26 -4.75 117.38 105.96 3ihq n GLN 65 Ca 0.11 0.00 -0.17 0.00 -2.00 0.00 0.00 57.00 54.93 3ihq n GLN 65 Cb 0.05 -1.36 -0.16 0.00 -4.06 0.00 0.00 30.24 24.71 3ihq n GLN 65 CO 0.00 0.00 0.00 1.17 -0.20 0.00 0.00 177.06 178.03 3ihq n LYS 66 N 0.15 0.15 0.00 3.69 4.81 0.01 -4.79 118.16 122.18 3ihq n LYS 66 Ca 0.00 -0.29 0.00 0.00 -0.87 0.00 0.00 58.31 57.15 3ihq n LYS 66 Cb 0.32 -1.84 0.00 0.00 0.02 0.00 0.00 35.03 33.53 3ihq n LYS 66 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 3ihq n LEU 67 N 9.53 0.00 0.00 3.14 4.77 -1.26 -3.98 117.00 129.19 3ihq n LEU 67 Ca 0.56 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.54 3ihq n LEU 67 Cb 0.26 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 3ihq n LEU 67 CO 0.88 0.00 0.00 -0.46 -1.33 0.00 0.00 177.39 176.48 3ihq n ASN 68 N 0.00 0.00 -3.61 -1.43 0.23 -1.26 -4.82 115.26 104.36 3ihq n ASN 68 Ca 0.00 0.00 -0.03 0.00 -0.53 0.00 0.00 54.58 54.02 3ihq n ASN 68 Cb 0.00 0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 37.65 3ihq n ASN 68 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 3ihq s VAL 69 N 0.00 -0.49 -0.57 3.53 0.11 -1.26 -5.12 120.40 116.61 3ihq s VAL 69 Ca 0.00 0.00 -0.19 0.00 -2.93 0.00 0.00 61.98 58.86 3ihq s VAL 69 Cb 0.00 -1.00 0.09 0.00 -1.53 0.00 0.00 36.38 33.94 3ihq s VAL 69 CO 0.00 0.00 0.70 0.21 -3.33 0.00 0.00 175.10 172.68 3ihq s ASN 70 N 2.25 6.20 0.29 3.54 2.47 -1.26 -4.94 114.94 123.48 3ihq s ASN 70 Ca -0.07 -1.24 0.04 0.00 0.42 0.00 0.00 52.86 52.01 3ihq s ASN 70 Cb -0.08 -2.31 0.72 0.00 -1.45 0.00 0.00 41.25 38.13 3ihq s ASN 70 CO -0.19 -1.07 1.72 0.58 -3.72 0.00 0.00 177.10 174.43 3ihq h VAL 71 N 5.91 0.56 0.00 -5.21 2.07 -1.97 -0.33 116.25 117.28 3ihq h VAL 71 Ca -0.29 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 67.05 3ihq h VAL 71 Cb 1.09 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.86 3ihq h VAL 71 CO 1.07 0.09 -0.02 -0.33 0.02 0.00 0.00 177.57 178.41 3ihq h GLU 72 N 0.52 0.00 0.00 1.57 5.08 -2.02 -2.59 114.58 117.13 3ihq h GLU 72 Ca 0.56 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.92 3ihq h GLU 72 Cb 0.99 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.24 3ihq h GLU 72 CO -0.47 0.02 -1.70 -1.13 -1.00 0.00 0.00 179.01 174.72 3ihq n SER 73 N -3.67 0.25 -4.82 1.42 3.41 -0.17 -4.98 113.62 105.06 3ihq n SER 73 Ca -0.03 -0.01 -0.31 0.00 -0.26 0.00 0.00 58.87 58.26 3ihq n SER 73 Cb 0.10 1.59 0.05 0.00 -0.26 0.00 0.00 64.21 65.69 3ihq n SER 73 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ihq s MET 74 N -3.44 2.89 0.14 4.33 0.23 -0.98 -4.99 119.30 117.47 3ihq s MET 74 Ca -0.05 0.94 -0.31 0.00 -1.03 0.00 0.00 55.69 55.24 3ihq s MET 74 Cb 0.13 -1.98 -0.09 0.00 -1.53 0.00 0.00 34.83 31.36 3ihq s MET 74 CO 0.88 -1.13 1.43 -2.14 -2.03 0.00 0.00 175.02 172.03 3ihq s PRO 75 N -5.05 4.30 0.26 3.16 0.02 -1.26 -4.91 135.00 131.51 3ihq s PRO 75 Ca 0.58 2.15 -0.05 0.00 0.02 0.00 0.00 61.00 63.70 3ihq s PRO 75 Cb -0.14 -3.22 0.50 0.00 0.02 0.00 0.00 34.50 31.66 3ihq s PRO 75 CO 0.55 -0.47 1.62 1.25 -0.33 0.00 0.00 177.00 179.63 3ihq h LEU 76 N 6.66 -0.38 -1.81 -5.54 5.85 -1.94 0.30 115.31 118.45 3ihq h LEU 76 Ca -0.42 0.21 0.04 0.00 0.84 0.00 0.00 57.88 58.55 3ihq h LEU 76 Cb 1.21 0.37 -0.02 0.00 0.37 0.00 0.00 40.66 42.60 3ihq h LEU 76 CO 0.87 -0.21 0.20 1.56 -0.34 0.00 0.00 178.44 180.52 3ihq h GLN 77 N 0.09 0.24 0.00 1.25 1.08 -2.01 -0.77 115.11 114.99 3ihq h GLN 77 Ca 0.45 -0.01 -0.14 0.00 -1.45 0.00 0.00 58.65 57.50 3ihq h GLN 77 Cb 0.81 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 28.17 3ihq h GLN 77 CO -0.72 0.16 -0.66 -0.44 -0.95 0.00 0.00 178.83 176.22 3ihq h ASP 78 N 0.24 0.00 -0.36 1.46 3.32 -0.79 -3.03 116.42 117.26 3ihq h ASP 78 Ca 0.13 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.09 3ihq h ASP 78 Cb 0.20 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 3ihq h ASP 78 CO -0.02 0.66 -0.11 0.25 -1.72 0.00 0.00 179.24 178.30 3ihq h LEU 79 N 0.00 0.73 -0.79 1.55 5.85 -0.59 -1.67 115.31 120.39 3ihq h LEU 79 Ca -0.01 -0.37 0.08 0.00 0.84 0.00 0.00 57.88 58.42 3ihq h LEU 79 Cb 1.19 -0.20 -0.07 0.00 0.37 0.00 0.00 40.66 41.96 3ihq h LEU 79 CO 0.09 0.94 0.45 1.88 -0.34 0.00 0.00 178.44 181.45 3ihq h TYR 80 N 0.51 0.83 -0.69 1.25 0.05 -1.34 0.12 116.97 117.70 3ihq h TYR 80 Ca 0.09 0.03 -0.07 0.00 0.05 0.00 0.00 58.73 58.83 3ihq h TYR 80 Cb 0.63 -0.25 -0.03 0.00 1.01 0.00 0.00 36.73 38.09 3ihq h TYR 80 CO 0.05 0.37 0.17 0.00 -1.05 0.00 0.00 178.16 177.70 3ihq h ARG 81 N 0.79 1.11 -0.35 4.88 3.08 -1.39 -0.41 114.38 122.09 3ihq h ARG 81 Ca 0.37 -0.26 -0.00 0.00 0.07 0.00 0.00 59.98 60.15 3ihq h ARG 81 Cb 0.29 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 3ihq h ARG 81 CO -0.22 0.98 0.21 1.25 -1.07 0.00 0.00 179.97 181.12 3ihq h LEU 82 N 1.04 0.42 -0.62 3.04 5.85 -0.21 -0.78 115.31 124.04 3ihq h LEU 82 Ca 0.22 -0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.82 3ihq h LEU 82 Cb 0.37 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 3ihq h LEU 82 CO 0.00 0.36 0.14 0.40 -0.34 0.00 0.00 178.44 179.00 3ihq h ILE 83 N 0.45 1.26 -0.72 4.05 2.04 -0.63 0.31 117.51 124.27 3ihq h ILE 83 Ca 0.12 -0.94 -0.01 0.00 1.00 0.00 0.00 64.86 65.04 3ihq h ILE 83 Cb 0.01 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 36.73 3ihq h ILE 83 CO -0.02 0.35 0.42 -1.13 0.00 0.00 0.00 178.15 177.77 3ihq h ASN 84 N 0.92 0.87 0.68 1.72 -1.24 -0.76 -2.91 115.58 114.86 3ihq h ASN 84 Ca 0.19 -0.05 -0.26 0.00 0.71 0.00 0.00 56.30 56.89 3ihq h ASN 84 Cb 0.37 -0.22 -0.02 0.00 0.73 0.00 0.00 38.32 39.18 3ihq h ASN 84 CO 0.00 0.68 -1.33 -0.33 -1.29 0.00 0.00 177.43 175.16 3ihq h GLU 85 N 0.99 0.12 -2.94 6.67 5.08 -0.64 -3.41 114.58 120.45 3ihq h GLU 85 Ca 0.26 -0.20 -0.61 0.00 -1.00 0.00 0.00 59.36 57.80 3ihq h GLU 85 Cb -0.02 0.08 -0.41 0.00 0.50 0.00 0.00 28.75 28.90 3ihq h GLU 85 CO -0.05 0.98 -0.67 -1.01 -1.00 0.00 0.00 179.01 177.26 3ihq s HIS 86 N -2.65 2.90 0.59 4.33 3.76 0.10 -4.95 115.29 119.38 3ihq s HIS 86 Ca -0.04 -3.05 0.29 0.00 -0.15 0.00 0.00 55.06 52.11 3ihq s HIS 86 Cb 0.08 -2.27 1.47 0.00 1.11 0.00 0.00 32.58 32.97 3ihq s HIS 86 CO 0.84 -0.63 1.89 -1.35 -0.85 0.00 0.00 174.74 174.63 3ihq h PRO 87 N 5.61 0.00 0.00 8.40 0.11 -1.75 -0.97 132.00 143.40 3ihq h PRO 87 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 3ihq h PRO 87 Cb 0.81 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.92 3ihq h PRO 87 CO 0.63 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.83 3ihq n GLY 88 N -1.49 -0.72 0.22 -0.55 0.00 -1.26 -2.45 105.19 98.94 3ihq n GLY 88 Ca 0.08 -0.04 0.14 0.00 0.00 0.00 0.00 46.02 46.21 3ihq n GLY 88 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3ihq h LEU 89 N 0.00 0.00 -9.76 0.99 3.38 -1.51 -3.42 115.31 104.99 3ihq h LEU 89 Ca 0.00 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.34 3ihq h LEU 89 Cb 0.13 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.81 3ihq h LEU 89 CO 0.00 0.00 -0.54 -0.76 0.09 0.00 0.00 178.44 177.23 3ihq s LEU 90 N -5.71 4.12 0.72 1.67 1.43 -1.02 -0.44 118.68 119.45 3ihq s LEU 90 Ca 0.05 0.18 -0.13 0.00 -1.03 0.00 0.00 54.13 53.19 3ihq s LEU 90 Cb 0.08 -2.66 0.03 0.00 0.03 0.00 0.00 46.19 43.68 3ihq s LEU 90 CO 0.56 0.20 1.11 -0.13 0.23 0.00 0.00 176.35 178.33 3ihq s ARG 91 N -2.26 2.46 0.08 1.70 0.52 0.47 -4.63 118.95 117.29 3ihq s ARG 91 Ca 0.30 1.33 -0.19 0.00 -0.52 0.00 0.00 55.73 56.66 3ihq s ARG 91 Cb -0.13 -1.91 0.04 0.00 0.52 0.00 0.00 34.95 33.47 3ihq s ARG 91 CO 0.23 -1.51 0.44 -0.98 0.02 0.00 0.00 175.30 173.50 3ihq s ARG 92 N -4.43 1.03 0.79 3.54 3.03 -1.26 -4.58 118.95 117.06 3ihq s ARG 92 Ca 0.65 -0.48 -0.11 0.00 2.03 0.00 0.00 55.73 57.82 3ihq s ARG 92 Cb -0.20 0.46 0.06 0.00 -1.03 0.00 0.00 34.95 34.24 3ihq s ARG 92 CO 0.48 -0.38 1.08 -1.25 -1.13 0.00 0.00 175.30 174.10 3ihq s PRO 93 N -3.09 2.17 -0.11 3.89 0.04 -1.26 -4.58 135.00 132.06 3ihq s PRO 93 Ca -0.02 0.95 0.03 0.00 0.04 0.00 0.00 61.00 62.00 3ihq s PRO 93 Cb 0.00 -1.90 0.01 0.00 0.04 0.00 0.00 34.50 32.65 3ihq s PRO 93 CO -0.07 -1.64 -0.19 0.42 0.04 0.00 0.00 177.00 175.56 3ihq s ILE 94 N -2.99 1.76 -0.13 0.56 1.01 -0.41 -0.34 121.20 120.66 3ihq s ILE 94 Ca 0.61 -0.81 0.01 0.00 0.00 0.00 0.00 60.65 60.46 3ihq s ILE 94 Cb -0.16 -1.56 -0.01 0.00 0.01 0.00 0.00 42.46 40.74 3ihq s ILE 94 CO 0.56 0.49 -0.17 -0.63 0.00 0.00 0.00 174.94 175.19 3ihq s ILE 95 N 0.75 2.63 0.02 2.92 1.01 0.70 -0.29 121.20 128.93 3ihq s ILE 95 Ca -0.11 -0.80 -0.09 0.00 0.00 0.00 0.00 60.65 59.65 3ihq s ILE 95 Cb -0.16 -2.08 0.00 0.00 0.01 0.00 0.00 42.46 40.23 3ihq s ILE 95 CO 0.01 0.53 0.17 -0.51 0.00 0.00 0.00 174.94 175.15 3ihq s ILE 96 N 0.52 0.09 0.05 2.92 2.07 -0.42 -0.66 121.20 125.77 3ihq s ILE 96 Ca -0.11 -0.78 -0.00 0.00 -1.41 0.00 0.00 60.65 58.35 3ihq s ILE 96 Cb -0.16 -0.67 0.00 0.00 0.13 0.00 0.00 42.46 41.76 3ihq s ILE 96 CO 0.04 -0.43 0.06 -0.90 -1.91 0.00 0.00 174.94 171.81 3ihq n ASP 97 N 1.09 -0.18 -0.24 4.50 5.68 -0.60 -0.74 116.55 126.07 3ihq n ASP 97 Ca -0.21 -1.25 0.03 0.00 -0.50 0.00 0.00 54.79 52.86 3ihq n ASP 97 Cb 0.57 0.33 0.13 0.00 -1.14 0.00 0.00 41.12 41.01 3ihq n ASP 97 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 3ihq h GLU 98 N 0.00 0.09 0.00 0.11 4.57 -2.02 -3.26 114.58 114.07 3ihq h GLU 98 Ca -0.04 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 3ihq h GLU 98 Cb 0.16 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.73 3ihq h GLU 98 CO 0.05 0.06 -0.06 1.63 -1.18 0.00 0.00 179.01 179.51 3ihq n LYS 99 N -5.34 1.68 -4.19 1.92 5.02 -1.26 -5.05 118.16 110.94 3ihq n LYS 99 Ca 0.12 -1.65 -0.16 0.00 -2.02 0.00 0.00 58.31 54.60 3ihq n LYS 99 Cb 0.42 -1.03 -0.13 0.00 -0.02 0.00 0.00 35.03 34.27 3ihq n LYS 99 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3ihq s ARG 100 N -1.35 0.63 -0.03 1.97 3.00 -1.23 -5.14 118.95 116.80 3ihq s ARG 100 Ca 0.10 -0.58 0.00 0.00 0.00 0.00 0.00 55.73 55.26 3ihq s ARG 100 Cb 0.09 -0.54 0.03 0.00 0.00 0.00 0.00 34.95 34.53 3ihq s ARG 100 CO 0.01 0.13 0.00 -1.17 0.00 0.00 0.00 175.30 174.27 3ihq s LEU 101 N -0.98 1.17 -0.09 2.53 2.96 -1.26 -1.55 118.68 121.46 3ihq s LEU 101 Ca -0.03 -0.02 -0.01 0.00 -0.22 0.00 0.00 54.13 53.86 3ihq s LEU 101 Cb -0.07 -0.21 0.03 0.00 0.50 0.00 0.00 46.19 46.44 3ihq s LEU 101 CO 0.00 -0.10 -0.03 -1.58 -1.32 0.00 0.00 176.35 173.32 3ihq s GLN 102 N 1.02 0.99 -0.28 1.98 2.00 0.16 -5.00 119.66 120.53 3ihq s GLN 102 Ca -0.10 -0.05 -0.05 0.00 -2.00 0.00 0.00 55.36 53.16 3ihq s GLN 102 Cb -0.13 -1.21 0.01 0.00 0.80 0.00 0.00 33.01 32.47 3ihq s GLN 102 CO -0.02 -0.28 0.04 0.08 -0.50 0.00 0.00 175.29 174.61 3ihq s VAL 103 N 1.81 3.70 0.00 1.34 1.01 -1.26 -0.22 120.40 126.79 3ihq s VAL 103 Ca 0.04 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.31 3ihq s VAL 103 Cb -0.12 -2.87 0.00 0.00 0.00 0.00 0.00 36.38 33.38 3ihq s VAL 103 CO -0.06 0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.80 3ihq n GLY 104 N 4.82 0.13 3.71 4.51 0.00 0.54 -4.93 105.19 113.96 3ihq n GLY 104 Ca -0.15 -1.65 -0.41 0.00 0.00 0.00 0.00 46.02 43.81 3ihq n GLY 104 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3ihq s TYR 105 N -2.94 3.59 -0.22 1.61 5.04 -1.26 -4.82 117.35 118.34 3ihq s TYR 105 Ca 0.00 1.38 -0.04 0.00 -2.44 0.00 0.00 57.07 55.97 3ihq s TYR 105 Cb 0.00 -2.92 0.10 0.00 0.35 0.00 0.00 41.96 39.49 3ihq s TYR 105 CO 0.00 0.03 0.21 1.21 -1.34 0.00 0.00 175.55 175.66 3ihq s ASN 106 N 0.90 1.64 0.32 4.32 3.84 -1.26 -5.04 114.94 119.66 3ihq s ASN 106 Ca 0.42 -0.39 0.05 0.00 0.21 0.00 0.00 52.86 53.15 3ihq s ASN 106 Cb -0.19 0.29 0.86 0.00 -0.55 0.00 0.00 41.25 41.66 3ihq s ASN 106 CO 0.20 -0.34 1.57 -0.08 -2.79 0.00 0.00 177.10 175.66 3ihq h GLU 107 N 8.32 0.00 0.00 0.43 4.81 -2.01 -0.53 114.58 125.61 3ihq h GLU 107 Ca -0.17 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.06 3ihq h GLU 107 Cb 1.13 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.51 3ihq h GLU 107 CO 0.30 0.00 -0.00 0.22 -0.73 0.00 0.00 179.01 178.80 3ihq h ASP 108 N 0.00 -0.00 -0.86 1.04 3.58 -2.03 -3.38 116.42 114.78 3ihq h ASP 108 Ca 0.65 -0.94 0.06 0.00 0.42 0.00 0.00 57.03 57.21 3ihq h ASP 108 Cb 1.41 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 42.40 3ihq h ASP 108 CO -0.91 0.95 0.53 -0.33 -2.88 0.00 0.00 179.24 176.60 3ihq h GLU 109 N -0.97 0.95 -0.12 0.28 3.07 -1.75 -2.44 114.58 113.61 3ihq h GLU 109 Ca -0.00 -0.06 0.04 0.00 -0.50 0.00 0.00 59.36 58.84 3ihq h GLU 109 Cb 0.94 -0.21 -0.00 0.00 -0.84 0.00 0.00 28.75 28.63 3ihq h GLU 109 CO 0.00 0.63 0.15 0.97 -1.40 0.00 0.00 179.01 179.36 3ihq h ILE 110 N 0.98 0.43 -0.03 3.13 2.10 -1.30 -2.11 117.51 120.72 3ihq h ILE 110 Ca 0.37 0.00 0.01 0.00 1.08 0.00 0.00 64.86 66.32 3ihq h ILE 110 Cb 0.15 0.88 -0.00 0.00 -1.09 0.00 0.00 36.82 36.76 3ihq h ILE 110 CO -0.17 0.00 0.25 0.03 -1.08 0.00 0.00 178.15 177.18 3ihq h ARG 111 N 0.00 0.00 0.00 2.19 2.47 -1.61 -0.40 114.38 117.03 3ihq h ARG 111 Ca 0.06 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.78 3ihq h ARG 111 Cb 0.36 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.68 3ihq h ARG 111 CO -0.00 0.00 -0.01 0.00 0.56 0.00 0.00 179.97 180.52 3ihq h ARG 112 N 0.00 0.00 -0.00 0.04 3.08 -1.58 -1.72 114.38 114.19 3ihq h ARG 112 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3ihq h ARG 112 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.57 3ihq h ARG 112 CO -0.00 0.01 -0.06 1.19 -1.07 0.00 0.00 179.97 180.04 3ihq n PHE 113 N -3.14 0.00 -2.13 3.04 3.01 -0.16 -4.89 117.46 113.19 3ihq n PHE 113 Ca -0.02 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 58.09 3ihq n PHE 113 Cb 0.13 -0.19 0.01 0.00 -0.01 0.00 0.00 39.48 39.42 3ihq n PHE 113 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3ihq s LEU 114 N -2.44 3.66 0.00 4.37 1.43 -0.65 -5.05 118.68 120.00 3ihq s LEU 114 Ca 0.31 2.16 0.31 0.00 -1.03 0.00 0.00 54.13 55.88 3ihq s LEU 114 Cb 0.20 -4.58 1.75 0.00 0.03 0.00 0.00 46.19 43.60 3ihq s LEU 114 CO 0.46 -1.34 2.14 -0.81 0.23 0.00 0.00 176.35 177.02