#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u5i s GLU 10 N 0.00 0.50 -0.44 -3.83 -1.05 -1.26 -5.09 118.70 107.53 1u5i s GLU 10 Ca 0.00 -0.61 -0.40 0.00 -0.15 0.00 0.00 54.97 53.81 1u5i s GLU 10 Cb 0.00 0.20 -0.17 0.00 -0.44 0.00 0.00 34.13 33.72 1u5i s GLU 10 CO 0.00 -0.12 1.62 -1.13 0.95 0.00 0.00 175.26 176.58 1u5i n SER 11 N 1.16 0.87 -0.50 0.83 3.41 -1.26 -4.63 113.62 113.49 1u5i n SER 11 Ca -0.21 0.83 0.41 0.00 -0.26 0.00 0.00 58.87 59.64 1u5i n SER 11 Cb 0.57 -0.78 0.68 0.00 -0.26 0.00 0.00 64.21 64.42 1u5i n SER 11 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1u5i n GLU 12 N 4.92 -0.03 -0.03 4.33 -0.00 -1.26 0.10 120.64 128.68 1u5i n GLU 12 Ca 0.37 1.17 -0.13 0.00 -0.00 0.00 0.00 57.16 58.58 1u5i n GLU 12 Cb -0.04 -2.38 -0.08 0.00 -0.00 0.00 0.00 31.44 28.93 1u5i n GLU 12 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 1u5i h GLU 13 N 0.00 -0.44 -0.80 3.44 4.81 -2.02 -2.87 114.58 116.71 1u5i h GLU 13 Ca 0.86 0.03 0.07 0.00 -0.13 0.00 0.00 59.36 60.19 1u5i h GLU 13 Cb 2.90 0.10 -0.06 0.00 0.63 0.00 0.00 28.75 32.31 1u5i h GLU 13 CO -0.37 -0.30 0.47 0.93 -0.73 0.00 0.00 179.01 179.02 1u5i h GLU 14 N -0.46 0.81 0.00 1.92 5.08 0.38 -0.48 114.58 121.83 1u5i h GLU 14 Ca 0.03 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 1u5i h GLU 14 Cb 0.56 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 1u5i h GLU 14 CO -0.39 0.53 -0.20 0.07 -1.00 0.00 0.00 179.01 178.02 1u5i h ARG 15 N 0.83 0.00 0.14 2.33 -0.00 -1.49 -1.46 114.38 114.73 1u5i h ARG 15 Ca 0.36 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 60.34 1u5i h ARG 15 Cb 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.22 1u5i h ARG 15 CO -0.20 0.20 -0.07 0.37 -0.00 0.00 0.00 179.97 180.27 1u5i h GLN 16 N 0.00 -0.19 0.00 0.08 5.75 -0.88 -3.34 115.11 116.54 1u5i h GLN 16 Ca -0.00 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.51 1u5i h GLN 16 Cb 0.58 0.04 0.00 0.00 1.07 0.00 0.00 27.48 29.17 1u5i h GLN 16 CO 0.03 -0.12 0.00 1.19 -2.65 0.00 0.00 178.83 177.27 1u5i n PHE 17 N -2.95 0.00 0.00 3.99 3.01 -1.01 -0.57 117.46 119.94 1u5i n PHE 17 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.44 1u5i n PHE 17 Cb 0.08 -0.12 0.00 0.00 -0.01 0.00 0.00 39.48 39.42 1u5i n PHE 17 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 1u5i n ARG 18 N -1.91 0.00 -0.05 -1.08 0.63 -0.56 0.22 116.66 113.90 1u5i n ARG 18 Ca 0.00 0.00 -0.01 0.00 -0.92 0.00 0.00 57.85 56.92 1u5i n ARG 18 Cb 0.00 0.00 -0.00 0.00 0.45 0.00 0.00 32.46 32.91 1u5i n ARG 18 CO 0.00 0.00 0.00 -0.22 -2.51 0.00 0.00 177.63 174.90 1u5i h LYS 19 N 0.00 0.00 -1.31 -0.14 3.64 -0.99 0.57 116.57 118.35 1u5i h LYS 19 Ca 0.00 0.00 0.43 0.00 -1.27 0.00 0.00 60.65 59.81 1u5i h LYS 19 Cb 0.00 0.00 -0.13 0.00 -0.41 0.00 0.00 32.23 31.69 1u5i h LYS 19 CO 0.00 0.02 0.84 -0.07 -2.27 0.00 0.00 179.45 177.97 1u5i h LEU 20 N -1.00 0.25 0.00 5.20 3.38 0.25 2.19 115.31 125.58 1u5i h LEU 20 Ca -0.00 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1u5i h LEU 20 Cb 0.06 0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1u5i h LEU 20 CO -0.00 -0.17 0.00 0.49 0.09 0.00 0.00 178.44 178.85 1u5i n PHE 21 N -4.70 0.00 -0.63 1.13 3.01 -0.71 -2.33 117.46 113.23 1u5i n PHE 21 Ca 0.37 0.00 0.49 0.00 1.01 0.00 0.00 57.45 59.31 1u5i n PHE 21 Cb 1.41 -0.31 0.76 0.00 -0.01 0.00 0.00 39.48 41.33 1u5i n PHE 21 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1u5i n VAL 22 N -1.42 -0.06 -0.14 -4.37 0.31 0.19 0.46 118.33 113.30 1u5i n VAL 22 Ca 0.00 1.52 -0.12 0.00 -0.01 0.00 0.00 64.34 65.73 1u5i n VAL 22 Cb 0.00 -2.52 -0.01 0.00 -0.91 0.00 0.00 33.84 30.40 1u5i n VAL 22 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 1u5i h GLN 23 N 0.00 0.86 0.00 5.55 4.15 0.36 -2.96 115.11 123.07 1u5i h GLN 23 Ca 0.90 -0.37 -0.19 0.00 0.77 0.00 0.00 58.65 59.76 1u5i h GLN 23 Cb 3.45 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 31.08 1u5i h GLN 23 CO -0.12 1.01 -1.23 -0.07 -1.93 0.00 0.00 178.83 176.49 1u5i h LEU 24 N 0.68 0.00 0.00 -2.39 3.38 0.41 -3.39 115.31 114.00 1u5i h LEU 24 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1u5i h LEU 24 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1u5i h LEU 24 CO 0.06 0.74 -0.17 0.00 0.09 0.00 0.00 178.44 179.16 1u5i n ALA 25 N -2.39 0.89 -0.23 1.53 0.00 -0.70 -5.09 120.51 114.51 1u5i n ALA 25 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1u5i n ALA 25 Cb 0.89 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.34 1u5i n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u5i n GLY 26 N 0.70 1.44 0.10 0.00 0.00 -1.12 -3.39 105.19 102.92 1u5i n GLY 26 Ca 0.00 -0.51 -0.14 0.00 0.00 0.00 0.00 46.02 45.38 1u5i n GLY 26 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1u5i h ASP 27 N 0.00 0.29 -1.26 1.61 3.45 -1.95 -3.12 116.42 115.45 1u5i h ASP 27 Ca 0.00 -0.35 0.40 0.00 0.43 0.00 0.00 57.03 57.51 1u5i h ASP 27 Cb 0.00 -0.10 -0.09 0.00 -0.56 0.00 0.00 39.33 38.58 1u5i h ASP 27 CO 0.00 1.28 0.85 0.47 -1.57 0.00 0.00 179.24 180.27 1u5i n ASP 28 N -3.43 0.10 -4.20 6.45 9.92 -1.22 -4.85 116.55 119.32 1u5i n ASP 28 Ca -0.10 0.97 -0.39 0.00 -0.53 0.00 0.00 54.79 54.75 1u5i n ASP 28 Cb 1.01 -0.48 -0.04 0.00 -0.64 0.00 0.00 41.12 40.97 1u5i n ASP 28 CO 0.00 0.00 0.00 0.23 0.13 0.00 0.00 177.20 177.56 1u5i n MET 29 N -3.98 -0.57 -4.16 -1.24 2.81 -1.18 -4.97 117.12 103.83 1u5i n MET 29 Ca 0.33 0.07 -0.12 0.00 -1.81 0.00 0.00 57.70 56.17 1u5i n MET 29 Cb 1.36 -2.99 -0.09 0.00 -0.71 0.00 0.00 33.22 30.80 1u5i n MET 29 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 1u5i s GLU 30 N -7.44 1.34 -0.04 0.03 2.02 -1.26 -3.18 118.70 110.18 1u5i s GLU 30 Ca 0.25 -1.59 -0.04 0.00 0.02 0.00 0.00 54.97 53.61 1u5i s GLU 30 Cb -0.14 0.32 0.01 0.00 0.10 0.00 0.00 34.13 34.43 1u5i s GLU 30 CO 0.98 -0.48 0.11 0.08 0.02 0.00 0.00 175.26 175.98 1u5i s VAL 31 N -4.03 0.00 1.26 2.63 1.01 -0.94 -4.64 120.40 115.70 1u5i s VAL 31 Ca 0.35 -0.01 -0.20 0.00 0.00 0.00 0.00 61.98 62.13 1u5i s VAL 31 Cb 0.05 -0.17 0.31 0.00 0.00 0.00 0.00 36.38 36.57 1u5i s VAL 31 CO 0.13 -0.00 1.04 -0.55 0.00 0.00 0.00 175.10 175.72 1u5i s SER 32 N 0.04 0.35 0.00 3.32 0.15 -1.26 -2.24 113.70 114.07 1u5i s SER 32 Ca -0.00 0.79 0.00 0.00 0.70 0.00 0.00 55.95 57.44 1u5i s SER 32 Cb -0.01 -1.13 0.00 0.00 -1.71 0.00 0.00 66.02 63.17 1u5i s SER 32 CO 0.00 -4.49 0.91 0.00 1.20 0.00 0.00 173.24 170.87 1u5i n ALA 33 N -5.03 -0.26 -0.19 5.45 0.00 -1.26 -2.02 120.51 117.21 1u5i n ALA 33 Ca 0.12 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.58 1u5i n ALA 33 Cb 0.59 0.17 0.29 0.00 0.00 0.00 0.00 19.45 20.51 1u5i n ALA 33 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1u5i h THR 34 N 0.00 1.13 0.74 0.00 1.35 -1.93 0.12 112.91 114.33 1u5i h THR 34 Ca 0.00 -0.31 -0.04 0.00 -0.55 0.00 0.00 66.41 65.52 1u5i h THR 34 Cb 0.00 0.16 0.01 0.00 -1.73 0.00 0.00 68.15 66.58 1u5i h THR 34 CO 0.00 0.16 -0.37 -0.33 -0.25 0.00 0.00 175.52 174.74 1u5i h GLU 35 N 0.90 -0.97 -0.16 4.72 5.08 -1.93 0.09 114.58 122.31 1u5i h GLU 35 Ca 0.28 0.07 0.05 0.00 -1.00 0.00 0.00 59.36 58.75 1u5i h GLU 35 Cb -0.00 0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1u5i h GLU 35 CO -0.07 -0.65 0.14 1.25 -1.00 0.00 0.00 179.01 178.68 1u5i h LEU 36 N -1.01 0.00 -0.37 1.33 5.85 -0.71 -0.14 115.31 120.26 1u5i h LEU 36 Ca -0.10 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.66 1u5i h LEU 36 Cb 0.78 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.77 1u5i h LEU 36 CO 0.16 0.00 0.14 -0.03 -0.34 0.00 0.00 178.44 178.37 1u5i h MET 37 N 0.00 0.29 0.58 1.25 4.05 0.12 -2.58 114.93 118.65 1u5i h MET 37 Ca 0.07 -0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.45 1u5i h MET 37 Cb 0.35 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.08 1u5i h MET 37 CO -0.00 0.19 -0.39 -0.91 0.23 0.00 0.00 176.91 176.03 1u5i h ASN 38 N 0.30 -1.00 -0.97 1.39 2.35 -0.51 -1.03 115.58 116.11 1u5i h ASN 38 Ca 0.17 0.06 0.33 0.00 -0.55 0.00 0.00 56.30 56.30 1u5i h ASN 38 Cb 0.13 0.30 -0.16 0.00 0.05 0.00 0.00 38.32 38.64 1u5i h ASN 38 CO -0.16 -0.58 0.41 0.40 -1.65 0.00 0.00 177.43 175.85 1u5i h ILE 39 N -0.92 0.17 0.00 2.81 2.04 -1.54 0.56 117.51 120.63 1u5i h ILE 39 Ca -0.08 -0.05 -0.12 0.00 1.00 0.00 0.00 64.86 65.61 1u5i h ILE 39 Cb 0.75 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 1u5i h ILE 39 CO 0.06 0.03 -0.57 -0.07 0.00 0.00 0.00 178.15 177.59 1u5i h LEU 40 N 0.16 0.00 -4.78 1.44 3.38 -0.89 -3.23 115.31 111.39 1u5i h LEU 40 Ca 0.71 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 58.12 1u5i h LEU 40 Cb 1.67 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 42.24 1u5i h LEU 40 CO -0.71 0.57 0.78 0.59 0.09 0.00 0.00 178.44 179.77 1u5i n ASN 41 N -3.58 6.82 0.14 -0.43 4.13 0.20 -2.74 115.26 119.79 1u5i n ASN 41 Ca -0.00 -3.24 0.00 0.00 1.68 0.00 0.00 54.58 53.02 1u5i n ASN 41 Cb 0.64 -1.24 0.00 0.00 -1.54 0.00 0.00 39.78 37.63 1u5i n ASN 41 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1u5i n LYS 42 N 0.92 0.00 0.33 3.52 5.02 -1.24 -4.62 118.16 122.09 1u5i n LYS 42 Ca 0.51 0.00 0.21 0.00 -2.02 0.00 0.00 58.31 57.01 1u5i n LYS 42 Cb 0.48 0.00 1.11 0.00 -0.02 0.00 0.00 35.03 36.60 1u5i n LYS 42 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1u5i h VAL 43 N 0.00 0.09 0.00 -0.18 2.07 -1.55 -3.27 116.25 113.41 1u5i h VAL 43 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1u5i h VAL 43 Cb 0.00 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 1u5i h VAL 43 CO 0.00 0.00 0.00 1.33 0.02 0.00 0.00 177.57 178.92 1u5i n VAL 44 N -3.18 0.05 -0.01 2.57 0.24 -1.11 -4.54 118.33 112.36 1u5i n VAL 44 Ca -0.03 -0.29 0.01 0.00 -2.04 0.00 0.00 64.34 61.99 1u5i n VAL 44 Cb 0.13 1.40 -0.05 0.00 -1.47 0.00 0.00 33.84 33.85 1u5i n VAL 44 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 1u5i n THR 45 N -0.03 0.18 -0.03 3.34 5.66 -1.24 -4.41 114.28 117.74 1u5i n THR 45 Ca 0.00 -0.20 -0.14 0.00 -3.05 0.00 0.00 64.05 60.66 1u5i n THR 45 Cb 0.14 -0.13 -0.09 0.00 -1.55 0.00 0.00 70.33 68.70 1u5i n THR 45 CO 0.00 0.00 0.00 0.03 -3.05 0.00 0.00 175.07 172.05 1u5i h ARG 46 N 0.00 0.19 -6.26 1.09 -0.00 -1.83 -3.45 114.38 104.11 1u5i h ARG 46 Ca -0.07 -0.12 -0.56 0.00 -0.50 0.00 0.00 59.98 58.72 1u5i h ARG 46 Cb 0.75 0.02 -0.03 0.00 0.00 0.00 0.00 29.97 30.70 1u5i h ARG 46 CO 0.00 0.71 1.01 -1.01 0.00 0.00 0.00 179.97 180.69 1u5i s HIS 47 N -3.97 2.46 -1.50 3.04 3.76 -1.26 -4.85 115.29 112.97 1u5i s HIS 47 Ca -0.15 0.72 0.25 0.00 -0.15 0.00 0.00 55.06 55.73 1u5i s HIS 47 Cb 0.03 -3.82 1.30 0.00 1.11 0.00 0.00 32.58 31.19 1u5i s HIS 47 CO 0.72 -2.35 1.84 -0.35 -0.85 0.00 0.00 174.74 173.75 1u5i n PRO 48 N 7.20 0.41 0.00 8.40 -0.04 -1.26 -3.47 135.00 146.24 1u5i n PRO 48 Ca 0.16 0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.66 1u5i n PRO 48 Cb 0.45 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.41 1u5i n PRO 48 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1u5i n ASP 49 N -1.25 0.00 -3.67 3.54 5.75 -1.26 -4.59 116.55 115.07 1u5i n ASP 49 Ca 0.13 0.34 -0.08 0.00 -0.01 0.00 0.00 54.79 55.17 1u5i n ASP 49 Cb 0.18 -0.34 -0.09 0.00 -1.03 0.00 0.00 41.12 39.84 1u5i n ASP 49 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1u5i s LEU 50 N -2.66 -0.54 -0.20 -2.12 1.98 -1.23 -5.07 118.68 108.84 1u5i s LEU 50 Ca 0.00 1.18 -0.12 0.00 -2.89 0.00 0.00 54.13 52.30 1u5i s LEU 50 Cb 0.00 1.81 -0.05 0.00 0.66 0.00 0.00 46.19 48.61 1u5i s LEU 50 CO 0.00 -0.22 0.23 -0.75 -1.89 0.00 0.00 176.35 173.72 1u5i s LYS 51 N 1.70 4.16 0.00 1.98 2.36 -1.26 -4.76 119.74 123.92 1u5i s LYS 51 Ca -0.09 -0.09 0.00 0.00 -2.55 0.00 0.00 55.97 53.24 1u5i s LYS 51 Cb -0.08 -3.48 0.00 0.00 -1.05 0.00 0.00 37.83 33.22 1u5i s LYS 51 CO -0.16 0.15 0.00 -2.37 1.55 0.00 0.00 175.35 174.52 1u5i n THR 52 N 3.93 0.00 -0.28 3.43 5.66 -1.26 -4.59 114.28 121.17 1u5i n THR 52 Ca -0.13 0.00 0.07 0.00 -3.05 0.00 0.00 64.05 60.93 1u5i n THR 52 Cb 0.52 0.00 0.21 0.00 -1.55 0.00 0.00 70.33 69.51 1u5i n THR 52 CO 0.00 0.00 0.00 0.44 -3.05 0.00 0.00 175.07 172.46 1u5i h ASP 53 N 0.00 0.39 -2.23 1.09 3.45 -1.94 -3.44 116.42 113.75 1u5i h ASP 53 Ca 0.00 0.11 0.00 0.00 0.43 0.00 0.00 57.03 57.57 1u5i h ASP 53 Cb 0.00 0.06 0.00 0.00 -0.56 0.00 0.00 39.33 38.83 1u5i h ASP 53 CO 0.00 0.15 0.00 0.61 -1.57 0.00 0.00 179.24 178.43 1u5i n GLY 54 N -1.33 3.69 3.72 2.75 0.00 -1.26 -4.93 105.19 107.83 1u5i n GLY 54 Ca 0.16 -1.26 -0.42 0.00 0.00 0.00 0.00 46.02 44.51 1u5i n GLY 54 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1u5i s PHE 55 N -2.00 3.61 0.50 1.61 2.99 -1.26 -4.68 117.98 118.75 1u5i s PHE 55 Ca 0.00 1.58 -0.19 0.00 0.00 0.00 0.00 56.93 58.31 1u5i s PHE 55 Cb 0.00 -3.23 -0.12 0.00 0.00 0.00 0.00 43.02 39.67 1u5i s PHE 55 CO 0.00 -0.46 0.31 0.41 -0.00 0.00 0.00 175.22 175.48 1u5i n GLY 56 N 2.73 -2.08 0.33 4.36 0.00 -1.26 -4.86 105.19 104.42 1u5i n GLY 56 Ca 0.06 -0.10 0.09 0.00 0.00 0.00 0.00 46.02 46.06 1u5i n GLY 56 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1u5i h ILE 57 N 0.32 0.77 0.39 -0.61 6.09 -1.99 -2.48 117.51 120.01 1u5i h ILE 57 Ca -0.42 -0.26 -0.02 0.00 -1.37 0.00 0.00 64.86 62.79 1u5i h ILE 57 Cb 1.42 -0.05 0.00 0.00 0.47 0.00 0.00 36.82 38.67 1u5i h ILE 57 CO 0.47 0.14 -0.19 -0.78 -3.07 0.00 0.00 178.15 174.72 1u5i h ASP 58 N 0.75 -0.45 -0.99 2.19 3.58 -1.98 1.16 116.42 120.69 1u5i h ASP 58 Ca 0.50 -0.06 0.21 0.00 0.42 0.00 0.00 57.03 58.09 1u5i h ASP 58 Cb 0.67 0.12 -0.10 0.00 1.72 0.00 0.00 39.33 41.74 1u5i h ASP 58 CO -0.34 -0.21 0.62 0.74 -2.88 0.00 0.00 179.24 177.16 1u5i h THR 59 N -0.67 0.67 -0.09 2.25 2.02 -1.89 -1.69 112.91 113.51 1u5i h THR 59 Ca -0.05 -0.22 -0.03 0.00 0.77 0.00 0.00 66.41 66.88 1u5i h THR 59 Cb 0.48 -0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 66.87 1u5i h THR 59 CO 0.09 0.12 -0.07 0.00 0.37 0.00 0.00 175.52 176.03 1u5i h ARG 61 N -0.18 0.18 -0.03 0.00 3.08 0.19 -2.46 114.38 115.17 1u5i h ARG 61 Ca 0.02 -0.01 -0.08 0.00 0.07 0.00 0.00 59.98 59.98 1u5i h ARG 61 Cb 0.55 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.56 1u5i h ARG 61 CO 0.02 0.12 -0.28 0.77 -1.07 0.00 0.00 179.97 179.52 1u5i h SER 62 N 0.18 0.31 -0.90 7.04 0.02 -1.19 -2.52 113.55 116.49 1u5i h SER 62 Ca 0.35 -0.70 0.21 0.00 -0.84 0.00 0.00 61.79 60.81 1u5i h SER 62 Cb 1.11 -0.09 -0.17 0.00 0.14 0.00 0.00 62.40 63.39 1u5i h SER 62 CO -0.06 0.96 -0.08 0.24 -1.14 0.00 0.00 176.83 176.75 1u5i h MET 63 N -0.32 0.03 0.46 3.45 2.86 -1.04 -1.03 114.93 119.35 1u5i h MET 63 Ca -0.03 -0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.59 1u5i h MET 63 Cb 0.97 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.63 1u5i h MET 63 CO 0.06 0.02 -0.27 0.28 1.06 0.00 0.00 176.91 178.06 1u5i h VAL 64 N 0.03 0.45 -0.50 -2.22 2.07 -1.50 -3.09 116.25 111.49 1u5i h VAL 64 Ca 0.49 0.00 0.05 0.00 0.82 0.00 0.00 66.70 68.06 1u5i h VAL 64 Cb 0.88 0.45 -0.08 0.00 -1.52 0.00 0.00 31.29 31.02 1u5i h VAL 64 CO -0.86 0.00 -0.47 0.00 0.02 0.00 0.00 177.57 176.25 1u5i h ALA 65 N -0.18 -0.63 0.00 1.67 0.00 -1.11 0.84 119.26 119.85 1u5i h ALA 65 Ca -0.06 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1u5i h ALA 65 Cb 0.55 1.14 0.00 0.00 0.00 0.00 0.00 17.79 19.48 1u5i h ALA 65 CO 0.07 -0.89 0.00 1.33 0.00 0.00 0.00 179.25 179.76 1u5i n VAL 66 N -4.91 0.63 -0.32 0.00 0.24 -0.42 -1.26 118.33 112.29 1u5i n VAL 66 Ca -0.01 0.16 0.00 0.00 -2.04 0.00 0.00 64.34 62.44 1u5i n VAL 66 Cb 0.26 -1.02 0.00 0.00 -1.47 0.00 0.00 33.84 31.62 1u5i n VAL 66 CO 0.00 0.00 0.00 0.23 -2.14 0.00 0.00 176.83 174.92 1u5i n MET 67 N -1.22 1.12 -3.23 7.34 2.81 0.17 -4.90 117.12 119.21 1u5i n MET 67 Ca 0.05 -0.90 -0.44 0.00 -1.81 0.00 0.00 57.70 54.60 1u5i n MET 67 Cb 0.06 -0.84 -0.06 0.00 -0.71 0.00 0.00 33.22 31.67 1u5i n MET 67 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1u5i s ASP 68 N -0.45 6.19 0.00 7.83 2.15 0.24 -4.77 116.67 127.86 1u5i s ASP 68 Ca 0.00 -1.26 0.19 0.00 0.43 0.00 0.00 52.55 51.91 1u5i s ASP 68 Cb 0.00 -2.25 0.66 0.00 -0.30 0.00 0.00 42.92 41.03 1u5i s ASP 68 CO 0.00 -0.87 1.49 -1.54 -0.17 0.00 0.00 175.17 174.08 1u5i n SER 69 N 5.82 1.80 -0.75 -0.34 3.41 -1.26 -3.82 113.62 118.48 1u5i n SER 69 Ca -0.10 -1.77 0.09 0.00 -0.26 0.00 0.00 58.87 56.82 1u5i n SER 69 Cb 0.44 -0.14 0.10 0.00 -0.26 0.00 0.00 64.21 64.35 1u5i n SER 69 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1u5i n ASP 70 N 0.42 2.63 -3.73 4.04 10.43 -1.26 -5.01 116.55 124.06 1u5i n ASP 70 Ca 0.16 -1.77 -0.23 0.00 2.57 0.00 0.00 54.79 55.52 1u5i n ASP 70 Cb 0.34 -0.07 0.02 0.00 1.84 0.00 0.00 41.12 43.25 1u5i n ASP 70 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 177.20 176.54 1u5i n THR 71 N 0.99 -4.54 0.11 -3.53 -1.04 -1.25 -4.86 114.28 100.16 1u5i n THR 71 Ca 0.12 -0.58 0.01 0.00 -2.04 0.00 0.00 64.05 61.55 1u5i n THR 71 Cb 0.45 -3.74 -0.01 0.00 -1.82 0.00 0.00 70.33 65.22 1u5i n THR 71 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1u5i n THR 72 N -4.24 0.00 -1.13 12.58 -2.24 -1.26 -5.03 114.28 112.96 1u5i n THR 72 Ca -0.27 -0.46 -0.04 0.00 -2.27 0.00 0.00 64.05 61.00 1u5i n THR 72 Cb 0.67 1.02 -0.02 0.00 -2.10 0.00 0.00 70.33 69.90 1u5i n THR 72 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1u5i n GLY 73 N 0.77 0.72 3.19 3.38 0.00 -1.26 -5.05 105.19 106.94 1u5i n GLY 73 Ca 0.01 -0.80 -0.22 0.00 0.00 0.00 0.00 46.02 45.00 1u5i n GLY 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u5i s LYS 74 N -2.27 1.13 -0.35 1.61 -0.14 -1.26 -4.10 119.74 114.36 1u5i s LYS 74 Ca 0.00 -0.83 -0.10 0.00 -1.36 0.00 0.00 55.97 53.68 1u5i s LYS 74 Cb 0.00 -1.19 0.01 0.00 -1.68 0.00 0.00 37.83 34.98 1u5i s LYS 74 CO 0.00 0.30 0.18 -1.17 -0.76 0.00 0.00 175.35 173.90 1u5i s LEU 75 N -1.13 4.46 0.63 3.17 2.96 -0.95 -4.56 118.68 123.26 1u5i s LEU 75 Ca 0.04 -0.80 -0.16 0.00 -0.22 0.00 0.00 54.13 52.99 1u5i s LEU 75 Cb -0.08 -2.01 -0.01 0.00 0.50 0.00 0.00 46.19 44.58 1u5i s LEU 75 CO 0.01 -0.30 1.13 -0.83 -1.32 0.00 0.00 176.35 175.04 1u5i s GLY 76 N 1.58 2.33 0.10 7.98 0.00 -1.26 -2.21 107.32 115.84 1u5i s GLY 76 Ca 0.03 0.69 -0.26 0.00 0.00 0.00 0.00 44.72 45.18 1u5i s GLY 76 CO 0.06 1.05 1.68 -2.75 0.00 0.00 0.00 173.10 173.14 1u5i h PHE 77 N 0.33 -0.39 -0.84 1.90 3.57 -1.92 1.48 116.94 121.06 1u5i h PHE 77 Ca -0.48 0.00 0.22 0.00 3.53 0.00 0.00 57.97 61.24 1u5i h PHE 77 Cb 1.26 0.15 -0.05 0.00 2.79 0.00 0.00 35.95 40.10 1u5i h PHE 77 CO 0.52 -0.23 0.58 0.93 -2.23 0.00 0.00 178.31 177.89 1u5i h GLU 78 N -0.34 0.19 0.13 1.11 4.39 -1.92 0.03 114.58 118.17 1u5i h GLU 78 Ca -0.00 -0.01 -0.29 0.00 0.34 0.00 0.00 59.36 59.40 1u5i h GLU 78 Cb 0.31 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.92 1u5i h GLU 78 CO -0.03 0.13 -1.38 0.93 -1.16 0.00 0.00 179.01 177.50 1u5i h GLU 79 N 0.20 0.27 -0.69 2.33 3.07 -1.69 -2.77 114.58 115.29 1u5i h GLU 79 Ca 0.42 -0.45 0.02 0.00 -0.50 0.00 0.00 59.36 58.85 1u5i h GLU 79 Cb 1.34 0.17 -0.04 0.00 -0.84 0.00 0.00 28.75 29.38 1u5i h GLU 79 CO -0.09 1.17 0.46 0.35 -1.40 0.00 0.00 179.01 179.50 1u5i h PHE 80 N 0.07 0.83 -0.03 4.33 3.57 0.38 -1.36 116.94 124.74 1u5i h PHE 80 Ca -0.19 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.32 1u5i h PHE 80 Cb 2.00 -0.28 -0.00 0.00 2.79 0.00 0.00 35.95 40.46 1u5i h PHE 80 CO 0.06 0.50 -0.05 0.87 -2.23 0.00 0.00 178.31 177.47 1u5i h LYS 81 N 0.88 0.09 -0.96 1.11 1.57 -0.98 -1.08 116.57 117.20 1u5i h LYS 81 Ca 0.27 -0.05 0.17 0.00 -1.87 0.00 0.00 60.65 59.17 1u5i h LYS 81 Cb -0.01 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.22 1u5i h LYS 81 CO -0.07 0.60 0.61 -0.92 -0.57 0.00 0.00 179.45 179.09 1u5i h TYR 82 N -0.41 0.92 0.16 -1.35 3.20 -1.15 -2.41 116.97 115.94 1u5i h TYR 82 Ca 0.00 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 1u5i h TYR 82 Cb 0.59 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.57 1u5i h TYR 82 CO 0.11 0.27 -0.08 1.25 -1.64 0.00 0.00 178.16 178.07 1u5i h LEU 83 N 0.72 -0.18 -0.64 2.82 5.85 -0.11 -2.83 115.31 120.93 1u5i h LEU 83 Ca 0.52 -0.34 0.13 0.00 0.84 0.00 0.00 57.88 59.03 1u5i h LEU 83 Cb 0.85 0.05 -0.12 0.00 0.37 0.00 0.00 40.66 41.81 1u5i h LEU 83 CO -0.28 0.30 -0.08 -0.25 -0.34 0.00 0.00 178.44 177.79 1u5i h TRP 84 N -0.73 -0.20 -0.17 1.25 2.91 -1.18 0.16 115.95 117.98 1u5i h TRP 84 Ca -0.02 0.05 0.04 0.00 1.13 0.00 0.00 58.89 60.09 1u5i h TRP 84 Cb 0.51 0.19 -0.04 0.00 -0.51 0.00 0.00 29.16 29.31 1u5i h TRP 84 CO 0.07 -0.23 -0.08 -0.97 -1.03 0.00 0.00 178.44 176.20 1u5i h ASN 85 N 0.05 -0.27 0.95 2.65 -1.24 -1.32 0.35 115.58 116.74 1u5i h ASN 85 Ca 0.32 0.07 -0.07 0.00 0.71 0.00 0.00 56.30 57.33 1u5i h ASN 85 Cb 0.52 0.15 -0.01 0.00 0.73 0.00 0.00 38.32 39.71 1u5i h ASN 85 CO -0.61 -0.11 -0.33 0.78 -1.29 0.00 0.00 177.43 175.87 1u5i h ASN 86 N -0.06 0.00 0.08 1.15 2.35 -1.16 -2.14 115.58 115.79 1u5i h ASN 86 Ca 0.09 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.83 1u5i h ASN 86 Cb 0.20 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.57 1u5i h ASN 86 CO -0.21 0.33 -0.07 0.40 -1.65 0.00 0.00 177.43 176.23 1u5i h ILE 87 N 0.00 1.00 0.04 2.81 2.04 0.25 0.14 117.51 123.78 1u5i h ILE 87 Ca -0.00 -0.25 -0.30 0.00 1.00 0.00 0.00 64.86 65.30 1u5i h ILE 87 Cb 0.90 1.14 -0.04 0.00 -0.74 0.00 0.00 36.82 38.08 1u5i h ILE 87 CO 0.04 0.07 -1.69 0.11 0.00 0.00 0.00 178.15 176.68 1u5i h LYS 88 N 0.00 0.09 -0.55 2.37 1.57 -0.15 -1.93 116.57 117.97 1u5i h LYS 88 Ca -0.00 -0.15 0.04 0.00 -1.87 0.00 0.00 60.65 58.67 1u5i h LYS 88 Cb 0.13 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.45 1u5i h LYS 88 CO 0.01 0.76 0.30 -0.22 -0.57 0.00 0.00 179.45 179.73 1u5i h LYS 89 N 0.02 0.57 -0.00 3.15 3.64 -1.33 -2.39 116.57 120.23 1u5i h LYS 89 Ca -0.29 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.06 1u5i h LYS 89 Cb 2.00 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 33.69 1u5i h LYS 89 CO 0.10 0.38 -0.06 0.91 -2.27 0.00 0.00 179.45 178.50 1u5i n TRP 90 N -4.83 0.00 0.26 1.91 8.01 0.46 -1.63 117.44 121.62 1u5i n TRP 90 Ca 0.05 0.00 -0.13 0.00 -1.31 0.00 0.00 57.50 56.11 1u5i n TRP 90 Cb 0.12 -0.33 -0.07 0.00 -2.01 0.00 0.00 31.31 29.02 1u5i n TRP 90 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 177.69 177.05 1u5i h GLN 91 N 0.11 -0.67 -0.39 -0.99 4.15 -0.83 -2.37 115.11 114.13 1u5i h GLN 91 Ca 0.00 0.05 0.07 0.00 0.77 0.00 0.00 58.65 59.54 1u5i h GLN 91 Cb 0.39 0.15 -0.07 0.00 0.21 0.00 0.00 27.48 28.16 1u5i h GLN 91 CO 0.00 -0.37 -0.10 0.41 -1.93 0.00 0.00 178.83 176.84 1u5i n GLY 92 N -0.40 -0.67 0.07 2.39 0.00 -0.65 -0.74 105.19 105.21 1u5i n GLY 92 Ca -0.10 0.42 -0.07 0.00 0.00 0.00 0.00 46.02 46.26 1u5i n GLY 92 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1u5i h ILE 93 N 0.00 1.20 0.00 -0.61 2.04 -1.43 -2.72 117.51 115.99 1u5i h ILE 93 Ca 0.18 -2.96 0.00 0.00 1.00 0.00 0.00 64.86 63.08 1u5i h ILE 93 Cb 0.27 2.58 0.00 0.00 -0.74 0.00 0.00 36.82 38.94 1u5i h ILE 93 CO -0.40 0.69 0.00 0.00 0.00 0.00 0.00 178.15 178.44 1u5i n TYR 94 N -3.18 0.00 -0.14 1.37 9.36 0.09 -3.58 117.16 121.08 1u5i n TYR 94 Ca -0.09 0.00 -0.03 0.00 3.32 0.00 0.00 57.90 61.10 1u5i n TYR 94 Cb 0.98 -0.48 0.04 0.00 -0.63 0.00 0.00 39.34 39.26 1u5i n TYR 94 CO 0.00 0.00 0.00 0.87 0.22 0.00 0.00 176.86 177.95 1u5i h LYS 95 N 0.00 0.09 0.00 2.98 1.57 -1.53 0.11 116.57 119.79 1u5i h LYS 95 Ca 0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1u5i h LYS 95 Cb 0.00 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1u5i h LYS 95 CO 0.00 0.06 0.00 -2.13 -0.57 0.00 0.00 179.45 176.81 1u5i n ARG 96 N -5.24 0.00 0.00 3.15 0.63 -1.02 -2.71 116.66 111.47 1u5i n ARG 96 Ca 0.04 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.97 1u5i n ARG 96 Cb 0.25 -1.10 0.00 0.00 0.45 0.00 0.00 32.46 32.05 1u5i n ARG 96 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1u5i n PHE 97 N -0.41 0.00 -0.92 -0.14 3.01 0.35 -4.89 117.46 114.45 1u5i n PHE 97 Ca 0.00 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.32 1u5i n PHE 97 Cb 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.45 1u5i n PHE 97 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1u5i n ASP 98 N 0.00 6.02 0.00 4.37 4.64 -0.94 -4.64 116.55 126.00 1u5i n ASP 98 Ca 0.00 -2.84 0.00 0.00 -1.38 0.00 0.00 54.79 50.57 1u5i n ASP 98 Cb 0.00 -1.16 0.00 0.00 -1.04 0.00 0.00 41.12 38.92 1u5i n ASP 98 CO 0.00 0.00 0.00 0.41 -0.82 0.00 0.00 177.20 176.79 1u5i n THR 99 N 1.04 0.00 0.00 5.18 -1.04 -1.26 0.11 114.28 118.30 1u5i n THR 99 Ca 0.28 0.38 0.00 0.00 -2.04 0.00 0.00 64.05 62.67 1u5i n THR 99 Cb 0.60 -0.54 0.00 0.00 -1.82 0.00 0.00 70.33 68.57 1u5i n THR 99 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1u5i n ASP 100 N -1.26 0.00 -1.97 8.00 3.85 -1.26 -4.65 116.55 119.27 1u5i n ASP 100 Ca 0.00 0.08 -0.00 0.00 -0.71 0.00 0.00 54.79 54.15 1u5i n ASP 100 Cb 0.00 -0.08 -0.00 0.00 -1.35 0.00 0.00 41.12 39.69 1u5i n ASP 100 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.20 175.05 1u5i n ARG 101 N -0.89 -2.44 -0.51 0.11 0.63 0.29 -4.80 116.66 109.05 1u5i n ARG 101 Ca 0.00 0.00 0.42 0.00 -0.92 0.00 0.00 57.85 57.35 1u5i n ARG 101 Cb 0.15 -3.27 0.74 0.00 0.45 0.00 0.00 32.46 30.53 1u5i n ARG 101 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1u5i h SER 102 N -0.00 0.09 0.00 6.15 4.64 -1.83 -3.45 113.55 119.15 1u5i h SER 102 Ca -0.00 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1u5i h SER 102 Cb 0.73 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 1u5i h SER 102 CO 0.00 -0.05 0.00 0.61 -0.87 0.00 0.00 176.83 176.53 1u5i n GLY 103 N -1.75 0.79 3.26 -0.77 0.00 -1.26 -5.05 105.19 100.41 1u5i n GLY 103 Ca 0.36 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.24 1u5i n GLY 103 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1u5i s THR 104 N -3.05 1.20 -0.21 2.61 -4.23 -1.26 -3.72 115.64 106.98 1u5i s THR 104 Ca 0.00 -2.07 -0.08 0.00 -1.18 0.00 0.00 61.69 58.36 1u5i s THR 104 Cb 0.00 -1.89 -0.04 0.00 1.34 0.00 0.00 72.50 71.91 1u5i s THR 104 CO 0.00 -0.71 0.09 -0.63 -0.54 0.00 0.00 174.62 172.83 1u5i s ILE 105 N -3.31 4.83 0.41 2.99 1.01 -1.06 -4.64 121.20 121.43 1u5i s ILE 105 Ca 0.18 -0.01 -0.25 0.00 0.00 0.00 0.00 60.65 60.56 1u5i s ILE 105 Cb 0.02 -3.21 -0.08 0.00 0.01 0.00 0.00 42.46 39.20 1u5i s ILE 105 CO 0.01 0.41 1.25 -0.83 0.00 0.00 0.00 174.94 175.78 1u5i s GLY 106 N 0.81 2.90 0.14 6.18 0.00 -1.26 -2.71 107.32 113.38 1u5i s GLY 106 Ca 0.05 1.14 0.01 0.00 0.00 0.00 0.00 44.72 45.91 1u5i s GLY 106 CO 0.02 1.69 0.72 -1.26 0.00 0.00 0.00 173.10 174.28 1u5i n SER 107 N 0.03 -0.05 0.00 1.64 2.88 -1.18 -1.31 113.62 115.63 1u5i n SER 107 Ca 0.04 0.78 0.08 0.00 -1.33 0.00 0.00 58.87 58.45 1u5i n SER 107 Cb 0.45 -0.29 0.49 0.00 -0.75 0.00 0.00 64.21 64.11 1u5i n SER 107 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1u5i n ASN 108 N -4.50 0.00 -0.07 -3.46 3.02 -1.26 -3.82 115.26 105.16 1u5i n ASN 108 Ca 0.11 -1.36 -0.10 0.00 -0.03 0.00 0.00 54.58 53.20 1u5i n ASN 108 Cb 0.36 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.45 1u5i n ASN 108 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1u5i n GLU 109 N -0.77 0.75 -0.15 3.52 4.71 -0.43 -4.59 120.64 123.67 1u5i n GLU 109 Ca 0.12 0.07 0.01 0.00 -0.01 0.00 0.00 57.16 57.35 1u5i n GLU 109 Cb 0.06 -1.31 0.03 0.00 -1.01 0.00 0.00 31.44 29.21 1u5i n GLU 109 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1u5i n LEU 110 N -2.84 -0.21 0.21 -4.62 4.32 -1.25 0.91 117.00 113.52 1u5i n LEU 110 Ca -0.26 0.69 0.07 0.00 -0.02 0.00 0.00 56.01 56.50 1u5i n LEU 110 Cb 0.81 -0.18 0.43 0.00 -1.62 0.00 0.00 43.42 42.86 1u5i n LEU 110 CO 0.18 -0.64 0.76 1.55 -1.22 0.00 0.00 177.39 178.01 1u5i h PRO 111 N 0.00 0.00 0.31 3.23 0.14 -1.81 2.32 132.00 136.19 1u5i h PRO 111 Ca 0.16 0.00 -0.02 0.00 0.14 0.00 0.00 66.00 66.29 1u5i h PRO 111 Cb 0.26 0.00 0.00 0.00 0.14 0.00 0.00 31.00 31.40 1u5i h PRO 111 CO -0.40 0.30 -0.15 0.78 0.14 0.00 0.00 178.00 178.67 1u5i h GLY 112 N 1.75 -0.44 -0.37 1.56 0.00 0.25 -2.48 103.07 103.35 1u5i h GLY 112 Ca -0.00 0.16 0.31 0.00 0.00 0.00 0.00 47.33 47.80 1u5i h GLY 112 CO 0.04 -0.16 0.74 0.00 0.00 0.00 0.00 176.54 177.17 1u5i h ALA 113 N -0.78 2.52 -0.08 3.60 0.00 -0.57 0.44 119.26 124.39 1u5i h ALA 113 Ca -0.04 0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.76 1u5i h ALA 113 Cb 0.46 0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.33 1u5i h ALA 113 CO 0.07 -0.95 -0.56 0.74 0.00 0.00 0.00 179.25 178.56 1u5i h PHE 114 N 0.26 0.72 0.00 0.00 0.05 0.40 -2.60 116.94 115.76 1u5i h PHE 114 Ca 0.63 -0.33 -0.03 0.00 3.82 0.00 0.00 57.97 62.06 1u5i h PHE 114 Cb 1.86 -0.11 -0.00 0.00 2.00 0.00 0.00 35.95 39.70 1u5i h PHE 114 CO -0.00 1.12 -0.13 0.93 -0.18 0.00 0.00 178.31 180.05 1u5i h GLU 115 N 0.12 0.00 -0.47 1.51 5.08 -0.75 0.25 114.58 120.33 1u5i h GLU 115 Ca -0.05 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.20 1u5i h GLU 115 Cb 1.21 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.44 1u5i h GLU 115 CO 0.11 0.13 -0.17 0.00 -1.00 0.00 0.00 179.01 178.08 1u5i h ALA 116 N 1.87 0.83 0.00 3.43 0.00 0.01 -3.03 119.26 122.37 1u5i h ALA 116 Ca -0.00 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1u5i h ALA 116 Cb 0.57 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1u5i h ALA 116 CO 0.02 0.65 0.00 0.00 0.00 0.00 0.00 179.25 179.92 1u5i n ALA 117 N -2.50 2.31 0.00 0.00 0.00 0.05 -4.87 120.51 115.51 1u5i n ALA 117 Ca 0.01 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1u5i n ALA 117 Cb 0.42 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.41 1u5i n ALA 117 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u5i n GLY 118 N 1.36 0.68 3.58 0.00 0.00 -1.14 -5.09 105.19 104.58 1u5i n GLY 118 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 1u5i n GLY 118 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1u5i s PHE 119 N -2.00 3.22 -0.24 1.61 0.08 -1.06 -4.98 117.98 114.60 1u5i s PHE 119 Ca 0.00 0.02 -0.00 0.00 0.12 0.00 0.00 56.93 57.07 1u5i s PHE 119 Cb 0.00 -2.26 0.07 0.00 -0.57 0.00 0.00 43.02 40.26 1u5i s PHE 119 CO 0.00 -0.09 0.00 -3.38 -0.10 0.00 0.00 175.22 171.66 1u5i s HIS 120 N 1.29 1.99 0.00 0.36 -3.43 -1.26 -3.43 115.29 110.80 1u5i s HIS 120 Ca 0.06 -1.59 0.00 0.00 -0.80 0.00 0.00 55.06 52.73 1u5i s HIS 120 Cb -0.14 -1.54 0.00 0.00 -1.43 0.00 0.00 32.58 29.47 1u5i s HIS 120 CO 0.06 -0.76 0.00 1.28 -2.00 0.00 0.00 174.74 173.32 1u5i n LEU 121 N 4.78 0.00 0.00 5.38 7.99 -1.26 -5.15 117.00 128.74 1u5i n LEU 121 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.92 1u5i n LEU 121 Cb 0.44 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.75 1u5i n LEU 121 CO 0.16 0.00 0.00 -0.46 -1.51 0.00 0.00 177.39 175.58 1u5i n ASN 122 N 0.00 1.50 -0.09 -1.43 0.23 -1.26 -4.98 115.26 109.23 1u5i n ASN 122 Ca 0.00 -0.95 -0.09 0.00 -0.53 0.00 0.00 54.58 53.01 1u5i n ASN 122 Cb 0.00 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 37.68 1u5i n ASN 122 CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 1u5i h GLN 123 N 0.00 0.40 -0.88 -3.83 1.08 -2.01 -3.05 115.11 106.82 1u5i h GLN 123 Ca 0.00 -0.04 0.12 0.00 -1.45 0.00 0.00 58.65 57.28 1u5i h GLN 123 Cb 0.00 -0.08 -0.08 0.00 -0.05 0.00 0.00 27.48 27.26 1u5i h GLN 123 CO 0.00 0.33 0.50 1.25 -0.95 0.00 0.00 178.83 179.96 1u5i h HIS 124 N 0.36 0.89 0.09 2.96 2.76 -1.95 0.45 115.15 120.72 1u5i h HIS 124 Ca 0.10 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.30 1u5i h HIS 124 Cb 0.04 -0.27 0.00 0.00 1.55 0.00 0.00 27.41 28.73 1u5i h HIS 124 CO -0.04 0.30 -0.04 0.82 -1.30 0.00 0.00 177.93 177.67 1u5i h ILE 125 N 0.77 1.12 -0.57 6.26 1.08 -1.94 -3.23 117.51 120.99 1u5i h ILE 125 Ca 0.45 -1.31 0.12 0.00 -0.39 0.00 0.00 64.86 63.73 1u5i h ILE 125 Cb 0.52 1.89 -0.10 0.00 -3.07 0.00 0.00 36.82 36.06 1u5i h ILE 125 CO -0.30 0.29 -0.06 1.88 -0.69 0.00 0.00 178.15 179.28 1u5i h TYR 126 N -0.78 -0.15 0.00 1.37 0.05 -1.34 1.60 116.97 117.72 1u5i h TYR 126 Ca -0.01 0.05 0.00 0.00 0.05 0.00 0.00 58.73 58.81 1u5i h TYR 126 Cb 0.58 0.16 0.00 0.00 1.01 0.00 0.00 36.73 38.47 1u5i h TYR 126 CO 0.12 -0.19 0.00 0.43 -1.05 0.00 0.00 178.16 177.46 1u5i n SER 127 N -5.32 0.00 0.12 3.88 7.64 0.15 -1.11 113.62 118.99 1u5i n SER 127 Ca 0.07 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.95 1u5i n SER 127 Cb 0.31 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.51 1u5i n SER 127 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1u5i n MET 128 N 0.54 0.00 -0.25 1.43 2.81 0.46 -4.56 117.12 117.54 1u5i n MET 128 Ca 0.00 0.00 0.06 0.00 -1.81 0.00 0.00 57.70 55.95 1u5i n MET 128 Cb 0.00 0.00 0.19 0.00 -0.71 0.00 0.00 33.22 32.70 1u5i n MET 128 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 1u5i h ILE 129 N 0.00 0.59 0.01 2.02 2.04 0.14 0.94 117.51 123.24 1u5i h ILE 129 Ca 0.00 -0.12 -0.00 0.00 1.00 0.00 0.00 64.86 65.74 1u5i h ILE 129 Cb 0.00 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.27 1u5i h ILE 129 CO 0.00 0.07 -0.00 0.40 0.00 0.00 0.00 178.15 178.61 1u5i h ILE 130 N 0.36 1.07 0.00 -0.67 1.08 -1.33 1.96 117.51 119.99 1u5i h ILE 130 Ca 0.42 -0.24 0.00 0.00 -0.39 0.00 0.00 64.86 64.65 1u5i h ILE 130 Cb 0.68 1.24 0.00 0.00 -3.07 0.00 0.00 36.82 35.67 1u5i h ILE 130 CO -0.45 0.06 0.00 -1.14 -0.69 0.00 0.00 178.15 175.93 1u5i n ARG 131 N -5.04 0.15 0.00 2.37 3.00 0.16 -1.46 116.66 115.83 1u5i n ARG 131 Ca -0.07 0.02 0.00 0.00 -0.00 0.00 0.00 57.85 57.80 1u5i n ARG 131 Cb 0.08 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.04 1u5i n ARG 131 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 1u5i n ARG 132 N -1.02 1.98 0.02 -0.14 3.00 -0.23 -4.72 116.66 115.54 1u5i n ARG 132 Ca 0.04 0.00 0.11 0.00 -0.00 0.00 0.00 57.85 58.00 1u5i n ARG 132 Cb 0.02 -0.73 0.03 0.00 0.00 0.00 0.00 32.46 31.78 1u5i n ARG 132 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 1u5i n TYR 133 N -1.15 0.22 -1.17 -0.14 4.02 0.65 -5.01 117.16 114.59 1u5i n TYR 133 Ca 0.00 0.06 -0.15 0.00 -0.01 0.00 0.00 57.90 57.81 1u5i n TYR 133 Cb 0.21 -0.39 0.11 0.00 -0.02 0.00 0.00 39.34 39.25 1u5i n TYR 133 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1u5i n SER 134 N -1.90 -0.63 -1.66 7.72 7.64 -0.53 -4.74 113.62 119.51 1u5i n SER 134 Ca 0.02 -1.07 0.00 0.00 1.01 0.00 0.00 58.87 58.84 1u5i n SER 134 Cb 0.42 -0.51 0.00 0.00 -1.01 0.00 0.00 64.21 63.12 1u5i n SER 134 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1u5i n ASP 135 N -3.65 0.00 -0.32 6.43 5.68 0.99 -4.81 116.55 120.87 1u5i n ASP 135 Ca 0.08 -0.32 -0.04 0.00 -0.50 0.00 0.00 54.79 54.00 1u5i n ASP 135 Cb 0.29 0.00 0.08 0.00 -1.14 0.00 0.00 41.12 40.35 1u5i n ASP 135 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1u5i h GLU 136 N 0.00 1.23 0.00 0.11 5.08 -1.98 -2.25 114.58 116.76 1u5i h GLU 136 Ca 0.00 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1u5i h GLU 136 Cb 0.00 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.02 1u5i h GLU 136 CO 0.00 0.91 0.00 0.25 -1.00 0.00 0.00 179.01 179.17 1u5i n THR 137 N -4.34 1.17 -2.05 1.13 -2.24 -1.26 -4.82 114.28 101.88 1u5i n THR 137 Ca 0.09 0.39 0.00 0.00 -2.27 0.00 0.00 64.05 62.26 1u5i n THR 137 Cb 0.11 -1.29 0.00 0.00 -2.10 0.00 0.00 70.33 67.05 1u5i n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1u5i n GLY 138 N -0.57 0.45 3.15 3.38 0.00 -0.85 -4.82 105.19 105.93 1u5i n GLY 138 Ca 0.01 -0.86 -0.16 0.00 0.00 0.00 0.00 46.02 45.01 1u5i n GLY 138 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1u5i s ASN 139 N -3.00 1.42 -0.27 1.61 -0.87 -1.26 -3.10 114.94 109.47 1u5i s ASN 139 Ca 0.00 -0.66 -0.02 0.00 -1.57 0.00 0.00 52.86 50.61 1u5i s ASN 139 Cb 0.00 -0.01 0.04 0.00 -0.02 0.00 0.00 41.25 41.26 1u5i s ASN 139 CO 0.00 -0.16 -0.03 -0.32 -2.57 0.00 0.00 177.10 174.02 1u5i s MET 140 N -2.03 2.62 0.96 -0.60 1.75 -1.10 -0.01 119.30 120.90 1u5i s MET 140 Ca -0.02 -1.13 -0.13 0.00 -1.25 0.00 0.00 55.69 53.17 1u5i s MET 140 Cb -0.08 -3.08 0.15 0.00 2.84 0.00 0.00 34.83 34.66 1u5i s MET 140 CO 0.01 -0.51 0.25 -3.47 -0.65 0.00 0.00 175.02 170.65 1u5i n ASP 141 N 4.64 -2.91 -0.07 1.11 -0.08 -1.26 -2.56 116.55 115.42 1u5i n ASP 141 Ca -0.15 -0.34 -0.06 0.00 -1.51 0.00 0.00 54.79 52.73 1u5i n ASP 141 Cb 0.45 -0.74 -0.04 0.00 2.34 0.00 0.00 41.12 43.14 1u5i n ASP 141 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 1u5i h PHE 142 N -2.58 0.00 0.00 -0.67 3.57 -1.89 -1.50 116.94 113.87 1u5i h PHE 142 Ca -0.23 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.27 1u5i h PHE 142 Cb 0.72 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.46 1u5i h PHE 142 CO -2.87 0.31 0.00 -3.47 -2.23 0.00 0.00 178.31 170.04 1u5i n ASP 143 N -4.64 0.00 -0.34 0.41 4.64 -1.26 0.21 116.55 115.57 1u5i n ASP 143 Ca -0.09 0.00 0.20 0.00 -1.38 0.00 0.00 54.79 53.52 1u5i n ASP 143 Cb 0.26 0.00 0.42 0.00 -1.04 0.00 0.00 41.12 40.76 1u5i n ASP 143 CO 0.00 0.00 0.00 0.78 -0.82 0.00 0.00 177.20 177.16 1u5i h ASN 144 N 0.00 0.62 -0.41 1.67 2.35 -1.90 0.62 115.58 118.53 1u5i h ASN 144 Ca 0.00 0.15 -0.11 0.00 -0.55 0.00 0.00 56.30 55.79 1u5i h ASN 144 Cb 0.00 0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 1u5i h ASN 144 CO 0.00 0.04 -0.16 0.15 -1.65 0.00 0.00 177.43 175.80 1u5i h PHE 145 N 0.50 0.96 -0.11 1.19 3.57 0.58 0.57 116.94 124.21 1u5i h PHE 145 Ca 0.67 -0.23 -0.05 0.00 3.53 0.00 0.00 57.97 61.90 1u5i h PHE 145 Cb 1.37 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 39.88 1u5i h PHE 145 CO -0.01 0.99 -0.12 0.82 -2.23 0.00 0.00 178.31 177.76 1u5i h ILE 146 N 0.66 1.36 -0.73 1.41 1.08 0.15 -2.60 117.51 118.84 1u5i h ILE 146 Ca 0.10 -1.29 0.16 0.00 -0.39 0.00 0.00 64.86 63.43 1u5i h ILE 146 Cb 0.71 1.97 -0.11 0.00 -3.07 0.00 0.00 36.82 36.32 1u5i h ILE 146 CO 0.05 0.37 0.13 -1.28 -0.69 0.00 0.00 178.15 176.74 1u5i h SER 147 N -0.14 -0.08 -0.39 1.72 0.87 0.79 -0.06 113.55 116.26 1u5i h SER 147 Ca 0.02 0.16 0.04 0.00 -1.23 0.00 0.00 61.79 60.77 1u5i h SER 147 Cb 0.65 0.23 -0.04 0.00 -0.44 0.00 0.00 62.40 62.80 1u5i h SER 147 CO 0.03 -0.08 0.16 0.00 -0.53 0.00 0.00 176.83 176.41 1u5i h LEU 149 N 0.34 0.00 -0.28 0.00 3.38 -0.87 0.40 115.31 118.28 1u5i h LEU 149 Ca 0.18 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 1u5i h LEU 149 Cb 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1u5i h LEU 149 CO -0.16 0.41 0.14 0.58 0.09 0.00 0.00 178.44 179.51 1u5i h VAL 150 N 0.00 1.14 0.35 1.22 2.07 -0.42 0.15 116.25 120.76 1u5i h VAL 150 Ca -0.00 -0.37 -0.02 0.00 0.82 0.00 0.00 66.70 67.13 1u5i h VAL 150 Cb 0.78 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 1u5i h VAL 150 CO 0.05 0.14 -0.17 0.03 0.02 0.00 0.00 177.57 177.64 1u5i h ARG 151 N 0.32 -0.45 -0.85 1.57 3.08 -0.68 -1.91 114.38 115.47 1u5i h ARG 151 Ca 0.10 0.03 0.02 0.00 0.07 0.00 0.00 59.98 60.20 1u5i h ARG 151 Cb 0.09 0.10 -0.05 0.00 0.08 0.00 0.00 29.97 30.19 1u5i h ARG 151 CO -0.01 -0.18 0.56 -0.07 -1.07 0.00 0.00 179.97 179.20 1u5i h LEU 152 N -0.69 0.94 -0.48 3.04 -0.00 -0.27 0.23 115.31 118.08 1u5i h LEU 152 Ca -0.05 -0.02 -0.01 0.00 -0.00 0.00 0.00 57.88 57.80 1u5i h LEU 152 Cb 0.48 -0.23 -0.02 0.00 -0.00 0.00 0.00 40.66 40.89 1u5i h LEU 152 CO 0.08 0.66 0.25 -0.78 -0.00 0.00 0.00 178.44 178.65 1u5i h ASP 153 N 1.10 0.61 0.76 -0.43 3.58 -0.37 -1.25 116.42 120.42 1u5i h ASP 153 Ca 0.33 -0.11 -0.13 0.00 0.42 0.00 0.00 57.03 57.54 1u5i h ASP 153 Cb -0.05 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 40.83 1u5i h ASP 153 CO -0.09 0.54 -0.63 0.00 -2.88 0.00 0.00 179.24 176.19 1u5i h ALA 154 N 1.09 0.87 0.00 -0.78 0.00 -0.33 0.22 119.26 120.33 1u5i h ALA 154 Ca 0.17 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1u5i h ALA 154 Cb 0.08 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1u5i h ALA 154 CO -0.02 0.79 0.00 0.52 0.00 0.00 0.00 179.25 180.53 1u5i h MET 155 N 0.00 0.00 0.06 0.00 2.86 -0.13 0.16 114.93 117.88 1u5i h MET 155 Ca -0.01 0.00 -0.29 0.00 -2.06 0.00 0.00 59.70 57.34 1u5i h MET 155 Cb 1.18 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.81 1u5i h MET 155 CO 0.08 0.00 -1.53 0.35 1.06 0.00 0.00 176.91 176.87 1u5i h PHE 156 N 0.00 0.23 -0.07 -0.22 3.57 -0.63 -3.28 116.94 116.54 1u5i h PHE 156 Ca 0.00 -0.17 -0.13 0.00 3.53 0.00 0.00 57.97 61.20 1u5i h PHE 156 Cb 0.71 -0.01 0.01 0.00 2.79 0.00 0.00 35.95 39.45 1u5i h PHE 156 CO 0.00 1.23 -0.47 0.00 -2.23 0.00 0.00 178.31 176.84 1u5i h ARG 157 N 0.03 0.43 -0.97 1.11 3.08 -0.21 -2.94 114.38 114.93 1u5i h ARG 157 Ca -0.23 -0.38 0.31 0.00 0.07 0.00 0.00 59.98 59.76 1u5i h ARG 157 Cb 1.97 0.09 -0.16 0.00 0.08 0.00 0.00 29.97 31.94 1u5i h ARG 157 CO 0.12 1.02 0.34 0.00 -1.07 0.00 0.00 179.97 180.38 1u5i h ALA 158 N 0.42 1.64 -0.15 0.04 0.00 -0.83 -0.07 119.26 120.31 1u5i h ALA 158 Ca -0.04 0.26 -0.19 0.00 0.00 0.00 0.00 54.91 54.94 1u5i h ALA 158 Cb 1.13 0.36 -0.00 0.00 0.00 0.00 0.00 17.79 19.28 1u5i h ALA 158 CO 0.10 -0.66 -0.68 0.35 0.00 0.00 0.00 179.25 178.36 1u5i h PHE 159 N 0.12 0.78 -0.13 0.00 3.57 -1.59 -2.41 116.94 117.28 1u5i h PHE 159 Ca 0.69 -0.32 -0.10 0.00 3.53 0.00 0.00 57.97 61.77 1u5i h PHE 159 Cb 1.58 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 40.18 1u5i h PHE 159 CO -0.20 1.10 -0.35 0.00 -2.23 0.00 0.00 178.31 176.63 1u5i h ARG 160 N 0.43 0.26 -0.07 1.11 2.47 -0.94 0.16 114.38 117.80 1u5i h ARG 160 Ca -0.02 -0.11 -0.16 0.00 -1.26 0.00 0.00 59.98 58.43 1u5i h ARG 160 Cb 1.26 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 29.56 1u5i h ARG 160 CO 0.13 0.59 -0.65 0.77 0.56 0.00 0.00 179.97 181.37 1u5i h SER 161 N 0.23 0.34 0.51 7.04 0.02 -0.60 -2.86 113.55 118.23 1u5i h SER 161 Ca 0.03 -0.20 0.00 0.00 -0.84 0.00 0.00 61.79 60.77 1u5i h SER 161 Cb 0.73 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.18 1u5i h SER 161 CO 0.06 0.89 -0.31 0.18 -1.14 0.00 0.00 176.83 176.51 1u5i n LEU 162 N -3.85 0.50 -3.69 5.07 4.77 -1.03 -4.49 117.00 114.28 1u5i n LEU 162 Ca -0.03 0.04 -0.28 0.00 -0.03 0.00 0.00 56.01 55.71 1u5i n LEU 162 Cb 0.65 -0.26 -0.10 0.00 -2.33 0.00 0.00 43.42 41.38 1u5i n LEU 162 CO 0.46 0.11 0.02 -0.67 -1.33 0.00 0.00 177.39 175.98 1u5i n ASP 163 N -1.26 3.38 0.11 -1.43 4.64 0.53 -4.69 116.55 117.83 1u5i n ASP 163 Ca 0.08 -3.32 -0.02 0.00 -1.38 0.00 0.00 54.79 50.16 1u5i n ASP 163 Cb 0.33 -0.72 0.00 0.00 -1.04 0.00 0.00 41.12 39.69 1u5i n ASP 163 CO 0.00 0.00 0.00 0.07 -0.82 0.00 0.00 177.20 176.45 1u5i h LYS 164 N 4.85 0.00 0.00 -0.67 2.10 -1.79 -3.39 116.57 117.67 1u5i h LYS 164 Ca 0.17 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.82 1u5i h LYS 164 Cb 0.71 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.04 1u5i h LYS 164 CO 0.77 0.71 0.00 0.09 -2.00 0.00 0.00 179.45 179.03 1u5i n ASN 165 N -3.34 0.00 0.00 7.07 3.02 -1.26 -5.01 115.26 115.74 1u5i n ASN 165 Ca 0.01 0.35 0.00 0.00 -0.03 0.00 0.00 54.58 54.91 1u5i n ASN 165 Cb 0.79 -0.48 0.00 0.00 -0.61 0.00 0.00 39.78 39.48 1u5i n ASN 165 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1u5i n GLY 166 N 1.88 0.00 3.51 7.41 0.00 -1.26 -5.09 105.19 111.64 1u5i n GLY 166 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.55 1u5i n GLY 166 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1u5i n THR 167 N 0.00 1.82 -0.93 2.61 -1.04 -1.26 -4.78 114.28 110.69 1u5i n THR 167 Ca 0.00 -0.45 -0.14 0.00 -2.04 0.00 0.00 64.05 61.41 1u5i n THR 167 Cb 0.00 -0.56 -0.02 0.00 -1.82 0.00 0.00 70.33 67.93 1u5i n THR 167 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1u5i n GLY 168 N 1.62 3.63 3.14 3.41 0.00 -1.26 -4.85 105.19 110.88 1u5i n GLY 168 Ca 0.14 -1.01 -0.09 0.00 0.00 0.00 0.00 46.02 45.06 1u5i n GLY 168 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1u5i s GLN 169 N -1.00 0.65 0.01 1.61 -0.21 -1.26 -5.16 119.66 114.30 1u5i s GLN 169 Ca 0.34 -0.80 -0.01 0.00 0.02 0.00 0.00 55.36 54.91 1u5i s GLN 169 Cb 0.22 0.26 -0.01 0.00 1.00 0.00 0.00 33.01 34.48 1u5i s GLN 169 CO -0.04 -0.17 -0.00 0.96 -2.12 0.00 0.00 175.29 173.91 1u5i s ILE 170 N -2.90 0.08 -0.10 1.08 -4.36 -1.26 -4.60 121.20 109.14 1u5i s ILE 170 Ca -0.02 -0.65 0.01 0.00 -0.26 0.00 0.00 60.65 59.73 1u5i s ILE 170 Cb 0.01 -0.22 0.02 0.00 1.25 0.00 0.00 42.46 43.52 1u5i s ILE 170 CO -0.06 -0.36 -0.12 0.00 0.24 0.00 0.00 174.94 174.64 1u5i s GLN 171 N -1.07 1.91 -0.05 0.37 -2.07 -1.26 -5.14 119.66 112.35 1u5i s GLN 171 Ca -0.12 -0.44 0.05 0.00 -1.82 0.00 0.00 55.36 53.03 1u5i s GLN 171 Cb -0.07 -1.69 -0.01 0.00 -1.09 0.00 0.00 33.01 30.15 1u5i s GLN 171 CO -0.01 -0.10 -0.21 0.14 -1.32 0.00 0.00 175.29 173.80 1u5i s VAL 172 N 1.09 1.73 0.62 3.63 -7.23 -1.26 -5.11 120.40 113.88 1u5i s VAL 172 Ca -0.05 -0.89 -0.10 0.00 -1.81 0.00 0.00 61.98 59.12 1u5i s VAL 172 Cb -0.14 -1.47 0.16 0.00 0.56 0.00 0.00 36.38 35.48 1u5i s VAL 172 CO -0.02 0.49 0.53 -0.46 -0.31 0.00 0.00 175.10 175.32 1u5i n ASN 173 N 2.97 -1.73 0.11 4.85 0.23 -1.26 -4.85 115.26 115.57 1u5i n ASN 173 Ca -0.17 -0.78 -0.04 0.00 -0.53 0.00 0.00 54.58 53.06 1u5i n ASN 173 Cb 0.52 -0.49 0.11 0.00 -2.08 0.00 0.00 39.78 37.84 1u5i n ASN 173 CO 0.00 0.00 0.00 -0.29 -0.93 0.00 0.00 177.26 176.04 1u5i h ILE 174 N -2.20 1.45 -0.18 1.53 6.09 -2.00 -2.33 117.51 119.86 1u5i h ILE 174 Ca -0.20 -2.22 -0.18 0.00 -1.37 0.00 0.00 64.86 60.89 1u5i h ILE 174 Cb 0.62 2.18 -0.00 0.00 0.47 0.00 0.00 36.82 40.09 1u5i h ILE 174 CO 0.13 0.64 -0.62 -0.61 -3.07 0.00 0.00 178.15 174.62 1u5i h GLN 175 N 0.08 0.65 -0.25 2.19 4.15 -1.99 -2.75 115.11 117.18 1u5i h GLN 175 Ca -0.01 -0.45 -0.07 0.00 0.77 0.00 0.00 58.65 58.89 1u5i h GLN 175 Cb 1.20 0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.95 1u5i h GLN 175 CO 0.10 1.07 -0.11 0.93 -1.93 0.00 0.00 178.83 178.88 1u5i h GLU 176 N 0.48 0.52 -0.86 1.69 5.08 -1.90 -0.91 114.58 118.67 1u5i h GLU 176 Ca -0.01 -0.22 0.10 0.00 -1.00 0.00 0.00 59.36 58.23 1u5i h GLU 176 Cb 1.20 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 30.37 1u5i h GLU 176 CO 0.12 0.77 0.56 2.35 -1.00 0.00 0.00 179.01 181.82 1u5i h TRP 177 N 0.25 0.89 0.06 4.33 -0.00 -1.38 -0.06 115.95 120.04 1u5i h TRP 177 Ca 0.06 0.02 -0.32 0.00 -0.00 0.00 0.00 58.89 58.65 1u5i h TRP 177 Cb 0.61 -0.29 -0.04 0.00 -0.00 0.00 0.00 29.16 29.45 1u5i h TRP 177 CO 0.06 0.40 -1.84 1.28 -0.00 0.00 0.00 178.44 178.35 1u5i n LEU 178 N -4.53 1.66 -0.35 0.65 4.77 -1.03 -2.45 117.00 115.73 1u5i n LEU 178 Ca 0.15 0.32 0.02 0.00 -0.03 0.00 0.00 56.01 56.47 1u5i n LEU 178 Cb 0.33 -0.40 0.16 0.00 -2.33 0.00 0.00 43.42 41.18 1u5i n LEU 178 CO 0.31 0.60 1.24 1.56 -1.33 0.00 0.00 177.39 179.77 1u5i h GLN 179 N 0.03 1.06 0.00 3.23 4.20 -0.49 0.46 115.11 123.61 1u5i h GLN 179 Ca -0.35 -0.06 -0.07 0.00 0.06 0.00 0.00 58.65 58.22 1u5i h GLN 179 Cb 2.02 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 29.55 1u5i h GLN 179 CO 0.08 0.70 -0.41 -0.07 -0.67 0.00 0.00 178.83 178.47 1u5i h LEU 180 N 1.10 0.00 0.00 1.46 3.38 -1.03 -2.72 115.31 117.50 1u5i h LEU 180 Ca 0.41 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.26 1u5i h LEU 180 Cb 0.17 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1u5i h LEU 180 CO -0.17 0.34 -1.64 0.35 0.09 0.00 0.00 178.44 177.41 1u5i n THR 181 N -3.16 0.47 -0.03 0.22 -2.24 -1.03 -4.43 114.28 104.09 1u5i n THR 181 Ca 0.02 -0.37 -0.15 0.00 -2.27 0.00 0.00 64.05 61.28 1u5i n THR 181 Cb 0.67 -0.41 -0.12 0.00 -2.10 0.00 0.00 70.33 68.38 1u5i n THR 181 CO 0.00 0.00 0.00 0.24 -0.57 0.00 0.00 175.07 174.74 1u5i h MET 182 N 0.00 0.10 -3.35 -0.78 2.86 -0.19 -3.40 114.93 110.17 1u5i h MET 182 Ca -0.19 -0.12 -0.68 0.00 -2.06 0.00 0.00 59.70 56.66 1u5i h MET 182 Cb 1.26 0.04 0.01 0.00 0.06 0.00 0.00 31.60 32.96 1u5i h MET 182 CO 0.01 0.92 3.60 0.98 1.06 0.00 0.00 176.91 183.47 1u5i n TYR 183 N -4.56 2.77 -0.95 -0.22 9.36 -1.02 -5.08 117.16 117.46 1u5i n TYR 183 Ca -0.10 -3.03 0.00 0.00 3.32 0.00 0.00 57.90 58.09 1u5i n TYR 183 Cb 0.49 -2.50 0.00 0.00 -0.63 0.00 0.00 39.34 36.69 1u5i n TYR 183 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95