#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u8r n ASN 2 N 0.00 0.00 -0.06 3.17 2.85 -1.26 -4.98 115.26 114.98 1u8r n ASN 2 Ca 0.00 0.00 -0.12 0.00 -0.11 0.00 0.00 54.58 54.35 1u8r n ASN 2 Cb 0.00 0.00 -0.08 0.00 1.24 0.00 0.00 39.78 40.94 1u8r n ASN 2 CO 0.00 0.00 0.00 -0.08 -2.11 0.00 0.00 177.26 175.07 1u8r h GLU 3 N 0.00 -0.39 0.00 1.20 4.57 -2.04 -1.99 114.58 115.93 1u8r h GLU 3 Ca 0.00 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 1u8r h GLU 3 Cb 0.00 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.68 1u8r h GLU 3 CO 0.00 -0.26 0.00 -0.07 -1.18 0.00 0.00 179.01 177.50 1u8r h LEU 4 N -0.40 0.00 0.00 1.64 3.38 -1.98 -3.47 115.31 114.48 1u8r h LEU 4 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1u8r h LEU 4 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1u8r h LEU 4 CO -0.42 0.00 0.00 0.52 0.09 0.00 0.00 178.44 178.63 1u8r n VAL 5 N -2.56 0.00 -3.44 1.22 0.31 -0.75 -4.71 118.33 108.39 1u8r n VAL 5 Ca 0.02 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.18 1u8r n VAL 5 Cb 0.32 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 33.13 1u8r n VAL 5 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1u8r s ASP 6 N 0.00 1.39 0.10 4.52 3.68 -1.26 -4.88 116.67 120.22 1u8r s ASP 6 Ca 0.00 -0.37 -0.34 0.00 2.13 0.00 0.00 52.55 53.98 1u8r s ASP 6 Cb 0.00 0.50 -0.14 0.00 -1.45 0.00 0.00 42.92 41.82 1u8r s ASP 6 CO 0.00 -0.35 1.58 0.74 0.13 0.00 0.00 175.17 177.28 1u8r h THR 7 N 6.28 0.11 -0.17 1.71 2.02 -2.00 -2.37 112.91 118.50 1u8r h THR 7 Ca -0.16 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.06 1u8r h THR 7 Cb 1.12 0.11 -0.07 0.00 -1.74 0.00 0.00 68.15 67.58 1u8r h THR 7 CO 0.30 0.00 -0.45 0.74 0.37 0.00 0.00 175.52 176.48 1u8r h THR 8 N -0.85 0.11 -0.42 3.16 2.02 -1.98 0.23 112.91 115.17 1u8r h THR 8 Ca -0.03 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.23 1u8r h THR 8 Cb 0.77 0.11 -0.07 0.00 -1.74 0.00 0.00 68.15 67.22 1u8r h THR 8 CO -0.11 0.00 -0.02 -0.33 0.37 0.00 0.00 175.52 175.42 1u8r h GLU 9 N -0.49 0.08 0.00 6.66 5.08 -1.98 0.17 114.58 124.09 1u8r h GLU 9 Ca 0.07 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1u8r h GLU 9 Cb 0.64 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.87 1u8r h GLU 9 CO -0.43 0.05 -0.04 0.52 -1.00 0.00 0.00 179.01 178.12 1u8r h MET 10 N 0.08 0.00 -0.07 2.33 2.86 -0.81 0.12 114.93 119.44 1u8r h MET 10 Ca 0.21 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.81 1u8r h MET 10 Cb 0.30 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.96 1u8r h MET 10 CO -0.37 0.04 -0.11 1.88 1.06 0.00 0.00 176.91 179.40 1u8r h TYR 11 N 0.00 0.24 -0.17 -0.22 -1.99 0.97 -2.13 116.97 113.67 1u8r h TYR 11 Ca -0.00 -0.09 0.04 0.00 2.00 0.00 0.00 58.73 60.68 1u8r h TYR 11 Cb 0.06 -0.05 -0.04 0.00 2.00 0.00 0.00 36.73 38.71 1u8r h TYR 11 CO 0.00 0.70 -0.07 -0.07 -0.00 0.00 0.00 178.16 178.72 1u8r h LEU 12 N -0.28 -0.23 -1.58 3.88 3.38 0.39 -1.37 115.31 119.50 1u8r h LEU 12 Ca 0.00 0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 1u8r h LEU 12 Cb 0.68 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 1u8r h LEU 12 CO 0.03 -0.09 -0.22 -0.09 0.09 0.00 0.00 178.44 178.16 1u8r h ARG 13 N -0.05 0.00 -0.33 1.13 2.43 -0.85 -1.45 114.38 115.26 1u8r h ARG 13 Ca 0.09 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 59.11 1u8r h ARG 13 Cb 0.18 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 1u8r h ARG 13 CO -0.20 0.22 -0.39 1.15 -1.51 0.00 0.00 179.97 179.24 1u8r h THR 14 N 0.00 1.28 0.15 0.20 2.02 -0.73 0.27 112.91 116.10 1u8r h THR 14 Ca -0.00 -1.56 0.01 0.00 0.77 0.00 0.00 66.41 65.62 1u8r h THR 14 Cb 0.39 1.44 -0.02 0.00 -1.74 0.00 0.00 68.15 68.23 1u8r h THR 14 CO 0.03 0.51 -0.16 0.40 0.37 0.00 0.00 175.52 176.67 1u8r h ILE 15 N 0.65 0.64 -0.19 3.11 1.08 -0.46 -1.22 117.51 121.13 1u8r h ILE 15 Ca 0.05 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.56 1u8r h ILE 15 Cb 0.95 0.64 -0.03 0.00 -3.07 0.00 0.00 36.82 35.31 1u8r h ILE 15 CO 0.09 0.00 -0.02 0.22 -0.69 0.00 0.00 178.15 177.75 1u8r h TYR 16 N -0.34 -0.05 -0.70 1.37 5.03 -1.05 -2.24 116.97 118.98 1u8r h TYR 16 Ca 0.01 0.02 0.09 0.00 2.58 0.00 0.00 58.73 61.42 1u8r h TYR 16 Cb 0.33 0.05 -0.07 0.00 1.55 0.00 0.00 36.73 38.59 1u8r h TYR 16 CO -0.14 -0.05 0.36 -0.44 -1.32 0.00 0.00 178.16 176.56 1u8r h ASP 17 N 0.03 0.48 -0.96 -2.11 3.32 -0.21 -0.66 116.42 116.31 1u8r h ASP 17 Ca 0.09 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.20 1u8r h ASP 17 Cb 0.12 -0.03 -0.05 0.00 0.22 0.00 0.00 39.33 39.60 1u8r h ASP 17 CO -0.17 0.28 0.61 -0.07 -1.72 0.00 0.00 179.24 178.17 1u8r h LEU 18 N 0.62 1.13 -0.37 1.55 3.38 -0.74 -0.27 115.31 120.61 1u8r h LEU 18 Ca 0.34 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.23 1u8r h LEU 18 Cb 0.33 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1u8r h LEU 18 CO -0.25 0.84 0.12 -0.33 0.09 0.00 0.00 178.44 178.91 1u8r h GLU 19 N 1.32 0.57 -0.62 1.13 5.08 -0.68 -1.08 114.58 120.30 1u8r h GLU 19 Ca 0.35 -0.12 0.06 0.00 -1.00 0.00 0.00 59.36 58.65 1u8r h GLU 19 Cb -0.11 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.02 1u8r h GLU 19 CO -0.07 0.58 0.41 1.49 -1.00 0.00 0.00 179.01 180.41 1u8r h GLU 20 N 0.44 0.59 0.00 2.33 4.81 -0.58 0.81 114.58 122.98 1u8r h GLU 20 Ca 0.12 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1u8r h GLU 20 Cb 0.24 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.49 1u8r h GLU 20 CO -0.01 0.39 -0.07 0.39 -0.73 0.00 0.00 179.01 178.98 1u8r n GLU 21 N -4.48 0.08 -1.44 1.92 1.02 -0.17 -4.92 120.64 112.65 1u8r n GLU 21 Ca 0.09 0.06 -0.03 0.00 -0.02 0.00 0.00 57.16 57.25 1u8r n GLU 21 Cb 0.23 -1.59 -0.01 0.00 -0.02 0.00 0.00 31.44 30.06 1u8r n GLU 21 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1u8r n GLY 22 N 1.44 0.50 3.71 0.62 0.00 0.28 -4.74 105.19 107.00 1u8r n GLY 22 Ca 0.06 -0.86 -0.27 0.00 0.00 0.00 0.00 46.02 44.95 1u8r n GLY 22 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1u8r s VAL 23 N -2.14 4.04 -0.01 1.61 -7.23 -0.52 -5.02 120.40 111.13 1u8r s VAL 23 Ca 0.00 -1.22 -0.30 0.00 -1.81 0.00 0.00 61.98 58.65 1u8r s VAL 23 Cb 0.00 -3.02 -0.06 0.00 0.56 0.00 0.00 36.38 33.86 1u8r s VAL 23 CO 0.00 -0.06 1.47 -0.89 -0.31 0.00 0.00 175.10 175.31 1u8r s THR 24 N -1.65 3.63 -1.14 5.32 2.01 -1.26 -4.24 115.64 118.30 1u8r s THR 24 Ca 0.28 0.97 -0.23 0.00 0.31 0.00 0.00 61.69 63.02 1u8r s THR 24 Cb -0.10 -3.63 -0.10 0.00 0.01 0.00 0.00 72.50 68.68 1u8r s THR 24 CO 0.20 -0.02 1.97 -2.84 -0.69 0.00 0.00 174.62 173.24 1u8r s PRO 25 N 2.77 2.30 0.21 4.92 0.02 -1.26 -4.93 135.00 139.03 1u8r s PRO 25 Ca 0.66 -0.97 0.03 0.00 0.02 0.00 0.00 61.00 60.75 1u8r s PRO 25 Cb -0.32 -5.19 -0.03 0.00 0.02 0.00 0.00 34.50 28.98 1u8r s PRO 25 CO 0.27 -4.15 0.34 -0.51 -0.33 0.00 0.00 177.00 172.62 1u8r s LEU 26 N 11.84 4.31 0.33 -5.54 1.43 -1.26 0.66 118.68 130.44 1u8r s LEU 26 Ca 0.71 0.15 0.03 0.00 -1.03 0.00 0.00 54.13 53.98 1u8r s LEU 26 Cb -0.02 -2.92 0.57 0.00 0.03 0.00 0.00 46.19 43.85 1u8r s LEU 26 CO 0.13 -0.03 1.88 0.03 0.23 0.00 0.00 176.35 178.59 1u8r h ARG 27 N 1.60 0.64 -0.75 1.70 3.08 -1.93 -1.89 114.38 116.83 1u8r h ARG 27 Ca -0.50 -0.12 0.08 0.00 0.07 0.00 0.00 59.98 59.51 1u8r h ARG 27 Cb 1.21 -0.10 -0.05 0.00 0.08 0.00 0.00 29.97 31.11 1u8r h ARG 27 CO 0.65 0.59 0.49 0.00 -1.07 0.00 0.00 179.97 180.63 1u8r h ALA 28 N 1.48 1.76 0.57 0.04 0.00 -1.96 -2.23 119.26 118.91 1u8r h ALA 28 Ca 0.14 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1u8r h ALA 28 Cb 0.26 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1u8r h ALA 28 CO -0.00 0.11 -0.32 0.00 0.00 0.00 0.00 179.25 179.04 1u8r h ARG 29 N 0.72 -0.79 -0.68 0.00 2.47 -1.70 -2.51 114.38 111.89 1u8r h ARG 29 Ca 0.34 0.05 0.15 0.00 -1.26 0.00 0.00 59.98 59.26 1u8r h ARG 29 Cb 0.37 0.18 -0.11 0.00 -1.65 0.00 0.00 29.97 28.76 1u8r h ARG 29 CO -0.12 -0.53 0.04 0.82 0.56 0.00 0.00 179.97 180.74 1u8r h ILE 30 N -0.82 0.46 -0.34 2.04 2.04 -1.38 -0.73 117.51 118.78 1u8r h ILE 30 Ca -0.07 -0.05 0.05 0.00 1.00 0.00 0.00 64.86 65.79 1u8r h ILE 30 Cb 0.66 0.30 -0.04 0.00 -0.74 0.00 0.00 36.82 36.99 1u8r h ILE 30 CO 0.09 0.03 0.08 0.00 0.00 0.00 0.00 178.15 178.35 1u8r h ALA 31 N 1.61 0.37 0.52 1.87 0.00 -1.29 0.12 119.26 122.46 1u8r h ALA 31 Ca 0.36 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.31 1u8r h ALA 31 Cb 0.61 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1u8r h ALA 31 CO -0.56 -0.32 -0.33 0.93 0.00 0.00 0.00 179.25 178.97 1u8r h GLU 32 N 0.20 -0.78 -0.31 0.00 5.08 -0.74 0.16 114.58 118.19 1u8r h GLU 32 Ca 0.16 0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.53 1u8r h GLU 32 Cb 0.17 0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 1u8r h GLU 32 CO -0.20 -0.52 0.00 0.00 -1.00 0.00 0.00 179.01 177.29 1u8r h ARG 33 N -0.81 0.47 -0.10 2.33 3.08 -0.96 -2.73 114.38 115.67 1u8r h ARG 33 Ca -0.06 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 59.90 1u8r h ARG 33 Cb 0.66 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.64 1u8r h ARG 33 CO 0.06 0.50 0.00 1.28 -1.07 0.00 0.00 179.97 180.74 1u8r n LEU 34 N -4.30 2.94 -3.61 3.04 4.77 0.39 -4.99 117.00 115.24 1u8r n LEU 34 Ca 0.01 -1.11 -0.24 0.00 -0.03 0.00 0.00 56.01 54.64 1u8r n LEU 34 Cb 0.23 -0.05 0.04 0.00 -2.33 0.00 0.00 43.42 41.31 1u8r n LEU 34 CO 0.38 0.53 -0.06 -0.67 -1.33 0.00 0.00 177.39 176.25 1u8r n ASP 35 N 1.26 -3.83 -4.29 -1.43 -0.08 0.50 -5.02 116.55 103.67 1u8r n ASP 35 Ca 0.14 -0.88 -0.18 0.00 -1.51 0.00 0.00 54.79 52.36 1u8r n ASP 35 Cb 0.55 -4.00 -0.11 0.00 2.34 0.00 0.00 41.12 39.91 1u8r n ASP 35 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 1u8r s GLN 36 N -5.67 1.17 0.74 -0.67 -0.21 -0.83 -5.04 119.66 109.14 1u8r s GLN 36 Ca 0.28 -1.42 -0.12 0.00 0.02 0.00 0.00 55.36 54.12 1u8r s GLN 36 Cb -0.08 -0.98 0.04 0.00 1.00 0.00 0.00 33.01 33.00 1u8r s GLN 36 CO 0.82 0.17 1.09 -1.54 -2.12 0.00 0.00 175.29 173.71 1u8r s SER 37 N -2.91 4.71 0.13 5.90 1.04 -1.26 -4.61 113.70 116.70 1u8r s SER 37 Ca 0.16 1.85 -0.24 0.00 0.48 0.00 0.00 55.95 58.20 1u8r s SER 37 Cb -0.02 -2.53 -0.02 0.00 0.10 0.00 0.00 66.02 63.56 1u8r s SER 37 CO 0.04 -1.90 1.64 1.23 0.98 0.00 0.00 173.24 175.23 1u8r h GLY 38 N -0.83 -0.27 0.41 7.32 0.00 -1.97 -1.13 103.07 106.60 1u8r h GLY 38 Ca -0.44 0.29 0.15 0.00 0.00 0.00 0.00 47.33 47.33 1u8r h GLY 38 CO 0.52 -0.20 0.61 -2.55 0.00 0.00 0.00 176.54 174.93 1u8r h PRO 39 N -0.31 0.81 0.54 4.80 0.11 -1.99 -1.67 132.00 134.28 1u8r h PRO 39 Ca 0.10 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.13 1u8r h PRO 39 Cb 0.46 -0.18 0.01 0.00 0.11 0.00 0.00 31.00 31.39 1u8r h PRO 39 CO -0.30 0.54 -0.26 1.15 -0.21 0.00 0.00 178.00 178.92 1u8r h THR 40 N 0.84 0.44 -0.23 -1.15 2.02 -1.60 -0.71 112.91 112.51 1u8r h THR 40 Ca 0.50 -0.18 0.03 0.00 0.77 0.00 0.00 66.41 67.52 1u8r h THR 40 Cb 0.67 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 1u8r h THR 40 CO -0.27 0.03 0.16 -0.37 0.37 0.00 0.00 175.52 175.44 1u8r h VAL 41 N -0.84 1.00 0.51 3.16 -1.51 -0.91 0.42 116.25 118.08 1u8r h VAL 41 Ca -0.07 -0.07 -0.02 0.00 -1.23 0.00 0.00 66.70 65.30 1u8r h VAL 41 Cb 0.60 0.77 0.00 0.00 -2.13 0.00 0.00 31.29 30.54 1u8r h VAL 41 CO 0.12 0.04 -0.24 0.28 -1.23 0.00 0.00 177.57 176.53 1u8r h SER 42 N 0.21 -0.58 -0.93 4.19 0.02 -1.11 -0.43 113.55 114.92 1u8r h SER 42 Ca 0.10 -0.05 0.12 0.00 -0.84 0.00 0.00 61.79 61.11 1u8r h SER 42 Cb 0.13 0.15 -0.07 0.00 0.14 0.00 0.00 62.40 62.74 1u8r h SER 42 CO -0.02 -0.19 0.59 -0.61 -1.14 0.00 0.00 176.83 175.47 1u8r h GLN 43 N -1.07 0.84 -0.34 3.45 4.15 -0.79 -0.89 115.11 120.47 1u8r h GLN 43 Ca -0.07 -0.05 -0.07 0.00 0.77 0.00 0.00 58.65 59.23 1u8r h GLN 43 Cb 0.60 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 28.09 1u8r h GLN 43 CO 0.11 0.56 -0.08 1.15 -1.93 0.00 0.00 178.83 178.65 1u8r h THR 44 N 0.87 1.28 -0.26 2.39 2.02 -0.90 -2.63 112.91 115.67 1u8r h THR 44 Ca 0.45 -1.13 0.03 0.00 0.77 0.00 0.00 66.41 66.54 1u8r h THR 44 Cb 0.52 1.32 -0.03 0.00 -1.74 0.00 0.00 68.15 68.22 1u8r h THR 44 CO -0.21 0.37 0.06 0.58 0.37 0.00 0.00 175.52 176.68 1u8r h VAL 45 N 0.43 0.89 -0.23 3.16 2.07 -0.16 -1.90 116.25 120.50 1u8r h VAL 45 Ca 0.09 -0.05 0.03 0.00 0.82 0.00 0.00 66.70 67.58 1u8r h VAL 45 Cb 0.57 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 1u8r h VAL 45 CO 0.03 0.03 -0.29 0.28 0.02 0.00 0.00 177.57 177.64 1u8r h SER 46 N 0.16 -0.98 -0.97 0.57 0.02 -1.02 0.78 113.55 112.11 1u8r h SER 46 Ca 0.12 0.13 0.32 0.00 -0.84 0.00 0.00 61.79 61.52 1u8r h SER 46 Cb 0.11 0.40 -0.16 0.00 0.14 0.00 0.00 62.40 62.89 1u8r h SER 46 CO -0.15 -0.20 0.37 0.03 -1.14 0.00 0.00 176.83 175.74 1u8r h ARG 47 N -0.19 0.13 -0.51 3.45 3.08 -1.18 0.84 114.38 120.01 1u8r h ARG 47 Ca 0.04 -0.01 -0.12 0.00 0.07 0.00 0.00 59.98 59.96 1u8r h ARG 47 Cb 0.30 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 1u8r h ARG 47 CO -0.32 0.08 -0.16 0.52 -1.07 0.00 0.00 179.97 179.02 1u8r h MET 48 N 0.13 1.01 0.03 0.04 2.86 0.81 -1.84 114.93 117.96 1u8r h MET 48 Ca 0.70 -0.40 -0.00 0.00 -2.06 0.00 0.00 59.70 57.93 1u8r h MET 48 Cb 1.63 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 33.24 1u8r h MET 48 CO -0.74 1.09 -0.01 1.49 1.06 0.00 0.00 176.91 179.80 1u8r h GLU 49 N 0.87 -0.04 0.00 1.72 4.81 0.63 -1.50 114.58 121.07 1u8r h GLU 49 Ca 0.12 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1u8r h GLU 49 Cb 0.74 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.13 1u8r h GLU 49 CO 0.06 0.28 0.31 -0.09 -0.73 0.00 0.00 179.01 178.83 1u8r h ARG 50 N -0.35 0.00 -0.41 1.92 2.43 0.39 0.61 114.38 118.97 1u8r h ARG 50 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1u8r h ARG 50 Cb 0.33 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 1u8r h ARG 50 CO 0.01 0.00 0.00 -0.25 -1.51 0.00 0.00 179.97 178.22 1u8r n ASP 51 N -2.89 4.00 -3.63 -3.80 8.00 -0.70 -4.98 116.55 112.55 1u8r n ASP 51 Ca -0.02 -2.59 -0.22 0.00 0.71 0.00 0.00 54.79 52.67 1u8r n ASP 51 Cb 0.36 -0.48 0.04 0.00 -0.02 0.00 0.00 41.12 41.02 1u8r n ASP 51 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1u8r n GLY 52 N 0.28 -0.53 0.00 0.44 0.00 0.21 -4.90 105.19 100.69 1u8r n GLY 52 Ca 0.20 0.25 0.03 0.00 0.00 0.00 0.00 46.02 46.50 1u8r n GLY 52 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1u8r n LEU 53 N -4.12 0.00 -3.73 0.99 4.77 -0.63 -4.30 117.00 109.98 1u8r n LEU 53 Ca -0.23 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.70 1u8r n LEU 53 Cb 0.65 0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 41.73 1u8r n LEU 53 CO 0.67 0.01 0.65 -1.48 -1.33 0.00 0.00 177.39 175.91 1u8r s LEU 54 N -3.50 -0.23 0.02 2.23 0.05 -1.25 -2.20 118.68 113.79 1u8r s LEU 54 Ca -0.02 -0.38 0.01 0.00 0.05 0.00 0.00 54.13 53.79 1u8r s LEU 54 Cb 0.04 2.27 -0.01 0.00 -2.05 0.00 0.00 46.19 46.44 1u8r s LEU 54 CO 0.28 -0.96 -0.05 -0.13 -0.55 0.00 0.00 176.35 174.94 1u8r s ARG 55 N -3.41 0.39 -0.41 1.48 0.52 0.35 -4.20 118.95 113.67 1u8r s ARG 55 Ca 0.11 -0.46 -0.17 0.00 -0.52 0.00 0.00 55.73 54.68 1u8r s ARG 55 Cb -0.02 -0.21 0.02 0.00 0.52 0.00 0.00 34.95 35.25 1u8r s ARG 55 CO 0.01 0.04 0.41 0.08 0.02 0.00 0.00 175.30 175.87 1u8r s VAL 56 N -0.85 5.11 0.37 3.52 1.01 -1.26 -1.01 120.40 127.30 1u8r s VAL 56 Ca -0.06 -0.32 -0.06 0.00 0.00 0.00 0.00 61.98 61.54 1u8r s VAL 56 Cb -0.06 -4.00 0.09 0.00 0.00 0.00 0.00 36.38 32.41 1u8r s VAL 56 CO -0.00 -0.36 0.29 0.00 0.00 0.00 0.00 175.10 175.02 1u8r n ALA 57 N 5.53 -1.13 -0.08 5.51 0.00 -0.79 -4.86 120.51 124.70 1u8r n ALA 57 Ca -0.08 -0.45 -0.11 0.00 0.00 0.00 0.00 53.44 52.80 1u8r n ALA 57 Cb 0.48 -0.03 -0.04 0.00 0.00 0.00 0.00 19.45 19.85 1u8r n ALA 57 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1u8r h GLY 58 N -1.32 0.45 1.09 0.00 0.00 -1.97 -2.68 103.07 98.64 1u8r h GLY 58 Ca -0.11 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 46.89 1u8r h GLY 58 CO 0.07 0.30 0.00 2.09 0.00 0.00 0.00 176.54 179.01 1u8r n ASP 59 N -4.65 0.00 0.00 0.19 5.68 -1.26 -4.87 116.55 111.64 1u8r n ASP 59 Ca -0.04 -0.69 0.00 0.00 -0.50 0.00 0.00 54.79 53.56 1u8r n ASP 59 Cb 0.24 -0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.17 1u8r n ASP 59 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1u8r n ARG 60 N -1.04 0.00 -3.08 0.11 1.74 -1.01 -5.06 116.66 108.31 1u8r n ARG 60 Ca 0.18 0.09 -0.33 0.00 -0.77 0.00 0.00 57.85 57.02 1u8r n ARG 60 Cb 0.10 -2.52 -0.06 0.00 -1.02 0.00 0.00 32.46 28.96 1u8r n ARG 60 CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 1u8r s HIS 61 N -2.00 3.36 -0.08 -1.55 -3.43 -1.26 -4.55 115.29 105.78 1u8r s HIS 61 Ca 0.00 1.28 -0.26 0.00 -0.80 0.00 0.00 55.06 55.28 1u8r s HIS 61 Cb 0.00 -2.59 -0.03 0.00 -1.43 0.00 0.00 32.58 28.54 1u8r s HIS 61 CO 0.00 0.06 0.84 -0.51 -2.00 0.00 0.00 174.74 173.13 1u8r s LEU 62 N -3.02 4.29 -0.19 5.38 1.43 0.21 -1.88 118.68 124.91 1u8r s LEU 62 Ca 0.55 1.35 -0.01 0.00 -1.03 0.00 0.00 54.13 55.00 1u8r s LEU 62 Cb -0.10 -3.30 0.01 0.00 0.03 0.00 0.00 46.19 42.82 1u8r s LEU 62 CO 0.17 -0.26 -0.14 -0.70 0.23 0.00 0.00 176.35 175.65 1u8r s GLU 63 N 1.30 3.15 0.01 1.70 2.56 -0.18 -4.76 118.70 122.49 1u8r s GLU 63 Ca 0.43 -0.75 -0.30 0.00 0.00 0.00 0.00 54.97 54.35 1u8r s GLU 63 Cb -0.18 -2.71 -0.04 0.00 2.00 0.00 0.00 34.13 33.19 1u8r s GLU 63 CO 0.20 -0.16 1.10 -0.51 -0.56 0.00 0.00 175.26 175.33 1u8r s LEU 64 N 1.24 4.35 0.99 2.70 1.43 -1.26 -0.50 118.68 127.64 1u8r s LEU 64 Ca 0.03 1.82 -0.15 0.00 -1.03 0.00 0.00 54.13 54.80 1u8r s LEU 64 Cb -0.14 -3.57 0.19 0.00 0.03 0.00 0.00 46.19 42.70 1u8r s LEU 64 CO -0.07 -0.40 1.16 0.42 0.23 0.00 0.00 176.35 177.70 1u8r s THR 65 N 1.23 1.91 0.19 5.49 -4.23 -0.94 -4.65 115.64 114.64 1u8r s THR 65 Ca 0.55 0.00 -0.20 0.00 -1.18 0.00 0.00 61.69 60.86 1u8r s THR 65 Cb -0.25 -2.73 0.13 0.00 1.34 0.00 0.00 72.50 70.99 1u8r s THR 65 CO 0.27 0.00 1.60 -0.08 -0.54 0.00 0.00 174.62 175.87 1u8r h GLU 66 N -1.79 -0.15 0.50 3.99 4.57 -1.89 -0.57 114.58 119.24 1u8r h GLU 66 Ca -0.48 0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 57.68 1u8r h GLU 66 Cb 1.31 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.93 1u8r h GLU 66 CO 0.51 -0.10 -0.24 -0.22 -1.18 0.00 0.00 179.01 177.78 1u8r h LYS 67 N -0.16 -0.65 -0.97 1.92 3.64 -1.90 -2.93 116.57 115.52 1u8r h LYS 67 Ca 0.23 0.04 0.19 0.00 -1.27 0.00 0.00 60.65 59.84 1u8r h LYS 67 Cb 0.53 0.15 -0.11 0.00 -0.41 0.00 0.00 32.23 32.39 1u8r h LYS 67 CO -0.64 -0.37 0.57 0.78 -2.27 0.00 0.00 179.45 177.52 1u8r h GLY 68 N -0.83 1.72 0.99 5.01 0.00 -1.52 -1.54 103.07 106.91 1u8r h GLY 68 Ca -0.07 -0.33 -0.12 0.00 0.00 0.00 0.00 47.33 46.82 1u8r h GLY 68 CO 0.11 -0.09 -0.25 -0.09 0.00 0.00 0.00 176.54 176.22 1u8r h ARG 69 N 0.70 0.74 -0.71 4.80 2.43 -1.13 -1.61 114.38 119.61 1u8r h ARG 69 Ca 0.57 -0.37 0.10 0.00 -0.81 0.00 0.00 59.98 59.47 1u8r h ARG 69 Cb 0.90 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.38 1u8r h ARG 69 CO -0.40 0.98 0.34 0.00 -1.51 0.00 0.00 179.97 179.39 1u8r h ALA 70 N 0.74 0.98 -0.09 2.80 0.00 -1.10 -0.53 119.26 122.07 1u8r h ALA 70 Ca 0.06 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1u8r h ALA 70 Cb 0.82 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 1u8r h ALA 70 CO 0.07 -0.08 -0.07 1.25 0.00 0.00 0.00 179.25 180.41 1u8r h LEU 71 N 0.57 0.22 -0.97 0.00 6.46 -1.40 -2.13 115.31 118.06 1u8r h LEU 71 Ca 0.36 -0.46 0.18 0.00 -0.12 0.00 0.00 57.88 57.83 1u8r h LEU 71 Cb 0.41 -0.06 -0.10 0.00 -0.73 0.00 0.00 40.66 40.17 1u8r h LEU 71 CO -0.29 0.63 0.57 0.00 -0.62 0.00 0.00 178.44 178.74 1u8r h ALA 72 N 0.59 1.57 0.10 1.25 0.00 -0.70 0.87 119.26 122.94 1u8r h ALA 72 Ca 0.02 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1u8r h ALA 72 Cb 0.57 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1u8r h ALA 72 CO 0.02 -0.04 -0.05 0.82 0.00 0.00 0.00 179.25 180.00 1u8r h ILE 73 N 0.75 1.09 -0.74 0.00 2.04 -1.06 -2.10 117.51 117.50 1u8r h ILE 73 Ca 0.55 -0.76 0.14 0.00 1.00 0.00 0.00 64.86 65.79 1u8r h ILE 73 Cb 0.82 1.57 -0.14 0.00 -0.74 0.00 0.00 36.82 38.33 1u8r h ILE 73 CO -0.37 0.18 -0.24 0.00 0.00 0.00 0.00 178.15 177.72 1u8r h ALA 74 N 0.37 0.34 -0.14 1.87 0.00 -0.22 0.24 119.26 121.73 1u8r h ALA 74 Ca -0.01 0.26 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 1u8r h ALA 74 Cb 0.40 0.66 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1u8r h ALA 74 CO 0.02 -0.49 0.07 0.28 0.00 0.00 0.00 179.25 179.13 1u8r h VAL 75 N -0.04 1.11 -0.73 0.00 2.07 -0.99 -2.33 116.25 115.34 1u8r h VAL 75 Ca 0.33 -0.30 0.05 0.00 0.82 0.00 0.00 66.70 67.60 1u8r h VAL 75 Cb 0.56 1.06 -0.04 0.00 -1.52 0.00 0.00 31.29 31.35 1u8r h VAL 75 CO -0.78 0.10 0.48 -0.03 0.02 0.00 0.00 177.57 177.36 1u8r h MET 76 N 0.11 0.80 0.41 1.57 -1.53 -0.33 0.12 114.93 116.08 1u8r h MET 76 Ca 0.05 -0.05 -0.02 0.00 -3.44 0.00 0.00 59.70 56.24 1u8r h MET 76 Cb 0.09 -0.18 0.00 0.00 -0.55 0.00 0.00 31.60 30.97 1u8r h MET 76 CO -0.01 0.53 -0.20 -0.09 0.14 0.00 0.00 176.91 177.29 1u8r h ARG 77 N 0.83 -0.53 -0.42 0.39 2.43 -0.38 -1.92 114.38 114.77 1u8r h ARG 77 Ca 0.30 0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.54 1u8r h ARG 77 Cb 0.14 0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.78 1u8r h ARG 77 CO -0.09 -0.28 0.22 0.87 -1.51 0.00 0.00 179.97 179.18 1u8r h LYS 78 N -0.69 0.43 -0.32 0.20 1.57 -1.03 -0.70 116.57 116.03 1u8r h LYS 78 Ca -0.06 -0.03 0.07 0.00 -1.87 0.00 0.00 60.65 58.77 1u8r h LYS 78 Cb 0.49 -0.10 -0.08 0.00 0.08 0.00 0.00 32.23 32.63 1u8r h LYS 78 CO 0.09 0.28 -0.35 1.25 -0.57 0.00 0.00 179.45 180.15 1u8r h HIS 79 N 0.44 -1.00 -0.14 -1.35 2.76 -0.86 0.38 115.15 115.37 1u8r h HIS 79 Ca 0.18 0.05 -0.13 0.00 -2.20 0.00 0.00 60.37 58.27 1u8r h HIS 79 Cb 0.07 0.48 -0.01 0.00 1.55 0.00 0.00 27.41 29.50 1u8r h HIS 79 CO -0.09 -0.41 -0.47 0.00 -1.30 0.00 0.00 177.93 175.66 1u8r h ARG 80 N -0.32 0.37 -0.44 5.26 3.08 -1.01 -1.79 114.38 119.53 1u8r h ARG 80 Ca 0.14 -0.20 -0.06 0.00 0.07 0.00 0.00 59.98 59.93 1u8r h ARG 80 Cb 0.56 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.60 1u8r h ARG 80 CO -0.49 0.76 0.02 -0.07 -1.07 0.00 0.00 179.97 179.12 1u8r h LEU 81 N 0.29 0.66 -0.08 3.04 3.38 -0.64 -2.06 115.31 119.90 1u8r h LEU 81 Ca 0.02 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1u8r h LEU 81 Cb 0.94 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.51 1u8r h LEU 81 CO 0.08 0.71 0.01 0.00 0.09 0.00 0.00 178.44 179.33 1u8r h ALA 82 N 1.37 0.11 -0.95 1.53 0.00 -0.56 -1.42 119.26 119.35 1u8r h ALA 82 Ca 0.14 -0.16 0.12 0.00 0.00 0.00 0.00 54.91 55.01 1u8r h ALA 82 Cb 0.37 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.06 1u8r h ALA 82 CO 0.01 -0.22 0.60 0.93 0.00 0.00 0.00 179.25 180.57 1u8r h GLU 83 N -0.11 0.85 0.69 0.00 5.08 -1.15 0.20 114.58 120.13 1u8r h GLU 83 Ca 0.02 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 1u8r h GLU 83 Cb 0.31 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1u8r h GLU 83 CO 0.00 0.56 -0.38 0.00 -1.00 0.00 0.00 179.01 178.20 1u8r h ARG 84 N 0.87 -0.95 -1.00 2.33 2.47 -1.01 -1.43 114.38 115.67 1u8r h ARG 84 Ca 0.47 0.06 0.19 0.00 -1.26 0.00 0.00 59.98 59.44 1u8r h ARG 84 Cb 0.55 0.22 -0.10 0.00 -1.65 0.00 0.00 29.97 28.99 1u8r h ARG 84 CO -0.23 -0.63 0.61 1.25 0.56 0.00 0.00 179.97 181.53 1u8r h LEU 85 N -0.98 0.77 -0.32 3.04 5.85 -0.64 0.19 115.31 123.22 1u8r h LEU 85 Ca -0.09 0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 1u8r h LEU 85 Cb 0.77 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 1u8r h LEU 85 CO 0.13 0.28 0.02 -0.07 -0.34 0.00 0.00 178.44 178.45 1u8r h LEU 86 N 0.76 0.54 0.06 2.25 3.38 -0.40 -1.24 115.31 120.64 1u8r h LEU 86 Ca 0.57 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 58.24 1u8r h LEU 86 Cb 0.90 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1u8r h LEU 86 CO -0.36 0.70 -0.03 0.58 0.09 0.00 0.00 178.44 179.42 1u8r h VAL 87 N 0.36 1.25 0.49 1.22 2.07 -0.69 0.24 116.25 121.18 1u8r h VAL 87 Ca 0.09 -1.48 -0.02 0.00 0.82 0.00 0.00 66.70 66.11 1u8r h VAL 87 Cb 0.41 2.16 0.00 0.00 -1.52 0.00 0.00 31.29 32.35 1u8r h VAL 87 CO 0.01 0.35 -0.23 0.44 0.02 0.00 0.00 177.57 178.16 1u8r h ASP 88 N -0.79 -0.56 0.00 0.57 3.32 -1.09 -3.28 116.42 114.59 1u8r h ASP 88 Ca -0.01 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.01 1u8r h ASP 88 Cb 0.63 0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.32 1u8r h ASP 88 CO 0.01 -0.14 -0.13 0.58 -1.72 0.00 0.00 179.24 177.84 1u8r h VAL 89 N -1.11 0.00 -0.83 -1.35 2.07 -1.59 -3.39 116.25 110.05 1u8r h VAL 89 Ca -0.07 -0.40 0.19 0.00 0.82 0.00 0.00 66.70 67.24 1u8r h VAL 89 Cb 0.56 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.27 1u8r h VAL 89 CO 0.11 0.00 0.56 0.40 0.02 0.00 0.00 177.57 178.66 1u8r h ILE 90 N -0.40 0.71 0.00 4.57 1.08 -1.31 -3.46 117.51 118.71 1u8r h ILE 90 Ca 0.00 -0.12 0.00 0.00 -0.39 0.00 0.00 64.86 64.35 1u8r h ILE 90 Cb 0.13 0.32 0.00 0.00 -3.07 0.00 0.00 36.82 34.20 1u8r h ILE 90 CO 0.00 0.07 0.00 0.61 -0.69 0.00 0.00 178.15 178.14 1u8r n GLY 91 N -1.54 0.39 3.75 5.37 0.00 0.22 -5.00 105.19 108.38 1u8r n GLY 91 Ca 0.17 -0.95 -0.40 0.00 0.00 0.00 0.00 46.02 44.84 1u8r n GLY 91 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1u8r s LEU 92 N 0.00 4.57 0.40 0.99 2.96 0.59 -4.97 118.68 123.22 1u8r s LEU 92 Ca 0.00 2.05 -0.24 0.00 -0.22 0.00 0.00 54.13 55.72 1u8r s LEU 92 Cb 0.00 -3.61 -0.11 0.00 0.50 0.00 0.00 46.19 42.97 1u8r s LEU 92 CO 0.00 -0.03 0.91 -0.81 -1.32 0.00 0.00 176.35 175.10 1u8r n PRO 93 N 1.75 1.16 -0.06 0.98 -0.04 -1.26 -4.36 135.00 133.18 1u8r n PRO 93 Ca -0.00 0.42 -0.11 0.00 -0.04 0.00 0.00 63.50 63.77 1u8r n PRO 93 Cb 0.46 -1.89 -0.07 0.00 -0.04 0.00 0.00 33.50 31.96 1u8r n PRO 93 CO 0.00 0.00 0.00 2.35 -0.04 0.00 0.00 175.50 177.81 1u8r h TRP 94 N 1.42 -1.25 0.00 0.54 7.01 -1.97 -2.28 115.95 119.43 1u8r h TRP 94 Ca -0.43 0.05 0.00 0.00 2.11 0.00 0.00 58.89 60.63 1u8r h TRP 94 Cb 1.35 0.57 0.00 0.00 -2.10 0.00 0.00 29.16 28.98 1u8r h TRP 94 CO 0.42 -0.39 0.00 -0.85 -2.79 0.00 0.00 178.44 174.84 1u8r n GLU 95 N -4.70 0.40 0.00 2.65 0.00 -1.26 -2.42 120.64 115.30 1u8r n GLU 95 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.12 1u8r n GLU 95 Cb 0.27 -1.23 0.00 0.00 0.00 0.00 0.00 31.44 30.47 1u8r n GLU 95 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1u8r n GLU 96 N 0.47 3.24 0.04 3.44 1.02 -0.87 -4.85 120.64 123.13 1u8r n GLU 96 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1u8r n GLU 96 Cb 0.13 -0.68 0.31 0.00 -0.02 0.00 0.00 31.44 31.18 1u8r n GLU 96 CO 0.00 0.00 0.00 -0.39 1.18 0.00 0.00 177.13 177.92 1u8r h VAL 97 N 0.00 1.20 0.13 2.62 -1.51 -1.35 -2.98 116.25 114.36 1u8r h VAL 97 Ca 0.00 -0.87 -0.00 0.00 -1.23 0.00 0.00 66.70 64.60 1u8r h VAL 97 Cb 0.09 1.11 -0.00 0.00 -2.13 0.00 0.00 31.29 30.35 1u8r h VAL 97 CO 0.00 0.28 -0.08 -0.74 -1.23 0.00 0.00 177.57 175.80 1u8r h HIS 98 N 0.39 -0.21 0.00 5.19 -0.00 -1.89 0.21 115.15 118.84 1u8r h HIS 98 Ca 0.08 -0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.41 1u8r h HIS 98 Cb 0.40 0.08 -0.00 0.00 -0.00 0.00 0.00 27.41 27.88 1u8r h HIS 98 CO 0.01 -0.13 -0.16 0.00 -0.00 0.00 0.00 177.93 177.65 1u8r h ALA 99 N 0.66 1.69 -0.03 5.26 0.00 -1.89 0.16 119.26 125.11 1u8r h ALA 99 Ca -0.01 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 1u8r h ALA 99 Cb 0.18 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.95 1u8r h ALA 99 CO 0.01 0.20 -0.30 1.49 0.00 0.00 0.00 179.25 180.65 1u8r h GLU 100 N 0.00 0.26 0.00 0.00 4.57 -1.32 -3.22 114.58 114.87 1u8r h GLU 100 Ca -0.00 -0.24 -0.05 0.00 -1.18 0.00 0.00 59.36 57.89 1u8r h GLU 100 Cb 0.30 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.94 1u8r h GLU 100 CO 0.02 0.92 -0.25 0.00 -1.18 0.00 0.00 179.01 178.52 1u8r h ALA 101 N 0.35 1.28 0.00 2.92 0.00 -0.14 -2.03 119.26 121.63 1u8r h ALA 101 Ca -0.03 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1u8r h ALA 101 Cb 1.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1u8r h ALA 101 CO 0.06 0.31 0.00 0.00 0.00 0.00 0.00 179.25 179.62 1u8r n ARG 103 N -1.76 0.44 0.11 0.00 1.74 -0.82 -4.53 116.66 111.84 1u8r n ARG 103 Ca 0.01 0.13 0.04 0.00 -0.77 0.00 0.00 57.85 57.26 1u8r n ARG 103 Cb 0.10 -1.31 0.45 0.00 -1.02 0.00 0.00 32.46 30.68 1u8r n ARG 103 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 1u8r h TRP 104 N -0.25 0.29 0.00 -1.55 4.06 -1.06 -2.32 115.95 115.12 1u8r h TRP 104 Ca -0.44 -0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.50 1u8r h TRP 104 Cb 1.56 -0.09 0.00 0.00 -1.00 0.00 0.00 29.16 29.63 1u8r h TRP 104 CO -0.01 0.29 0.14 -0.85 -3.56 0.00 0.00 178.44 174.45 1u8r n GLU 105 N -4.39 0.09 -0.27 0.49 0.28 -0.10 -0.47 120.64 116.28 1u8r n GLU 105 Ca 0.00 0.57 0.09 0.00 -0.16 0.00 0.00 57.16 57.66 1u8r n GLU 105 Cb 0.17 -1.95 0.24 0.00 1.43 0.00 0.00 31.44 31.33 1u8r n GLU 105 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 1u8r n HIS 106 N -2.02 0.71 0.00 -1.84 8.25 -0.87 -4.54 115.22 114.91 1u8r n HIS 106 Ca -0.01 -0.47 0.00 0.00 -0.26 0.00 0.00 57.72 56.98 1u8r n HIS 106 Cb 0.16 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.26 1u8r n HIS 106 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 1u8r n VAL 107 N 1.15 0.00 -2.01 1.59 0.24 0.38 -5.00 118.33 114.67 1u8r n VAL 107 Ca 0.18 -0.02 -0.42 0.00 -2.04 0.00 0.00 64.34 62.04 1u8r n VAL 107 Cb 0.53 0.89 -0.03 0.00 -1.47 0.00 0.00 33.84 33.76 1u8r n VAL 107 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 1u8r s MET 108 N -0.06 4.23 0.77 7.34 -1.94 -0.86 -4.99 119.30 123.80 1u8r s MET 108 Ca 0.00 2.25 -0.11 0.00 -1.71 0.00 0.00 55.69 56.12 1u8r s MET 108 Cb 0.00 -3.41 0.06 0.00 2.01 0.00 0.00 34.83 33.48 1u8r s MET 108 CO 0.00 -0.63 1.09 -1.54 -0.01 0.00 0.00 175.02 173.93 1u8r s SER 109 N 1.77 4.67 0.43 3.03 1.04 -1.26 -4.93 113.70 118.44 1u8r s SER 109 Ca 0.70 1.44 0.23 0.00 0.48 0.00 0.00 55.95 58.80 1u8r s SER 109 Cb -0.39 -2.21 0.86 0.00 0.10 0.00 0.00 66.02 64.38 1u8r s SER 109 CO 0.31 -1.88 1.80 -0.08 0.98 0.00 0.00 173.24 174.38 1u8r h GLU 110 N -1.02 0.00 0.35 4.02 4.81 -2.00 -2.74 114.58 117.99 1u8r h GLU 110 Ca -0.46 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.75 1u8r h GLU 110 Cb 1.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.63 1u8r h GLU 110 CO 0.58 0.26 -0.17 -0.44 -0.73 0.00 0.00 179.01 178.51 1u8r h ASP 111 N 0.00 -0.39 -0.74 1.04 3.45 -2.00 -2.58 116.42 115.19 1u8r h ASP 111 Ca -0.00 -0.16 0.21 0.00 0.43 0.00 0.00 57.03 57.51 1u8r h ASP 111 Cb 0.78 0.10 -0.03 0.00 -0.56 0.00 0.00 39.33 39.62 1u8r h ASP 111 CO 0.03 0.03 0.53 0.58 -1.57 0.00 0.00 179.24 178.84 1u8r h VAL 112 N -0.91 0.64 0.23 -1.35 2.07 -1.93 -1.15 116.25 113.85 1u8r h VAL 112 Ca -0.05 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 1u8r h VAL 112 Cb 0.53 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1u8r h VAL 112 CO 0.08 0.01 -0.11 -0.33 0.02 0.00 0.00 177.57 177.23 1u8r h GLU 113 N 0.04 -0.30 -0.96 1.57 5.08 -1.30 -0.56 114.58 118.15 1u8r h GLU 113 Ca 0.36 0.02 0.11 0.00 -1.00 0.00 0.00 59.36 58.85 1u8r h GLU 113 Cb 1.37 0.07 -0.13 0.00 0.50 0.00 0.00 28.75 30.56 1u8r h GLU 113 CO -0.02 -0.20 -0.49 0.54 -1.00 0.00 0.00 179.01 177.84 1u8r n ARG 114 N -2.87 -0.34 0.08 2.33 1.74 -0.52 0.13 116.66 117.21 1u8r n ARG 114 Ca -0.04 1.46 0.16 0.00 -0.77 0.00 0.00 57.85 58.67 1u8r n ARG 114 Cb 0.12 -2.16 0.67 0.00 -1.02 0.00 0.00 32.46 30.07 1u8r n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1u8r h ARG 115 N 0.00 0.01 -0.03 5.56 3.08 -1.31 0.14 114.38 121.83 1u8r h ARG 115 Ca 0.23 -0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.15 1u8r h ARG 115 Cb 0.47 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.50 1u8r h ARG 115 CO -0.93 0.00 -0.59 -0.07 -1.07 0.00 0.00 179.97 177.32 1u8r h LEU 116 N 0.01 0.11 -0.11 3.04 3.38 0.27 -1.77 115.31 120.24 1u8r h LEU 116 Ca 0.18 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1u8r h LEU 116 Cb 0.70 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 1u8r h LEU 116 CO -0.00 0.67 0.06 0.58 0.09 0.00 0.00 178.44 179.84 1u8r h VAL 117 N 0.07 1.08 -0.18 1.22 2.07 0.52 -1.51 116.25 119.52 1u8r h VAL 117 Ca -0.01 -0.21 -0.09 0.00 0.82 0.00 0.00 66.70 67.22 1u8r h VAL 117 Cb 1.06 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 1u8r h VAL 117 CO 0.08 0.07 -0.27 0.11 0.02 0.00 0.00 177.57 177.58 1u8r h LYS 118 N 0.10 0.35 0.00 1.57 1.79 -1.33 0.16 116.57 119.20 1u8r h LYS 118 Ca 0.04 -0.13 0.00 0.00 -2.18 0.00 0.00 60.65 58.38 1u8r h LYS 118 Cb 0.06 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.68 1u8r h LYS 118 CO -0.01 0.60 0.00 0.28 -1.08 0.00 0.00 179.45 179.24 1u8r h VAL 119 N 0.31 0.00 -0.27 0.50 2.07 -1.04 -3.12 116.25 114.70 1u8r h VAL 119 Ca 0.05 -0.73 0.00 0.00 0.82 0.00 0.00 66.70 66.83 1u8r h VAL 119 Cb 0.65 1.71 0.00 0.00 -1.52 0.00 0.00 31.29 32.13 1u8r h VAL 119 CO 0.05 0.00 0.00 0.18 0.02 0.00 0.00 177.57 177.82 1u8r n LEU 120 N -2.86 2.75 -2.60 2.57 4.77 -0.59 -5.00 117.00 116.04 1u8r n LEU 120 Ca 0.03 -1.61 -0.10 0.00 -0.03 0.00 0.00 56.01 54.31 1u8r n LEU 120 Cb 0.44 -0.17 0.04 0.00 -2.33 0.00 0.00 43.42 41.40 1u8r n LEU 120 CO 0.31 0.63 0.02 0.59 -1.33 0.00 0.00 177.39 177.61 1u8r n ASN 121 N 0.76 -4.74 -4.04 -1.43 5.03 -0.93 -3.95 115.26 105.95 1u8r n ASN 121 Ca 0.12 -0.44 -0.31 0.00 0.87 0.00 0.00 54.58 54.82 1u8r n ASN 121 Cb 0.42 -3.47 -0.03 0.00 -1.02 0.00 0.00 39.78 35.68 1u8r n ASN 121 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1u8r n ASN 122 N -2.57 -1.09 -4.50 6.41 3.02 0.51 -4.90 115.26 112.15 1u8r n ASN 122 Ca -0.05 -1.13 -0.31 0.00 -0.03 0.00 0.00 54.58 53.05 1u8r n ASN 122 Cb 0.58 -2.48 0.17 0.00 -0.61 0.00 0.00 39.78 37.44 1u8r n ASN 122 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1u8r n PRO 123 N -4.52 -0.92 0.00 3.52 -0.04 -1.25 -4.96 135.00 126.82 1u8r n PRO 123 Ca -0.26 -0.22 0.00 0.00 -0.04 0.00 0.00 63.50 62.97 1u8r n PRO 123 Cb 0.66 -2.09 0.00 0.00 -0.04 0.00 0.00 33.50 32.03 1u8r n PRO 123 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1u8r n THR 124 N -4.21 0.00 -4.09 0.52 -2.24 -1.26 -4.95 114.28 98.05 1u8r n THR 124 Ca 0.07 -0.19 -0.13 0.00 -2.27 0.00 0.00 64.05 61.53 1u8r n THR 124 Cb 0.54 1.46 -0.06 0.00 -2.10 0.00 0.00 70.33 70.17 1u8r n THR 124 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1u8r s THR 125 N -0.10 0.00 0.44 4.28 -4.23 -1.26 -1.80 115.64 112.97 1u8r s THR 125 Ca 0.00 -1.62 0.08 0.00 -1.18 0.00 0.00 61.69 58.97 1u8r s THR 125 Cb 0.00 -2.48 0.02 0.00 1.34 0.00 0.00 72.50 71.38 1u8r s THR 125 CO 0.00 0.00 0.60 -0.94 -0.54 0.00 0.00 174.62 173.74 1u8r s SER 126 N -3.16 5.58 0.00 3.99 1.04 -0.04 -4.84 113.70 116.27 1u8r s SER 126 Ca 0.30 -0.48 0.05 0.00 0.48 0.00 0.00 55.95 56.30 1u8r s SER 126 Cb 0.01 -0.53 0.27 0.00 0.10 0.00 0.00 66.02 65.86 1u8r s SER 126 CO 0.16 -0.84 0.80 -2.65 0.98 0.00 0.00 173.24 171.69 1u8r n PRO 127 N -1.90 0.13 -0.03 4.02 -0.02 -1.26 -0.65 135.00 135.28 1u8r n PRO 127 Ca 0.09 0.06 0.03 0.00 -2.02 0.00 0.00 63.50 61.65 1u8r n PRO 127 Cb 0.59 -1.50 0.04 0.00 -0.02 0.00 0.00 33.50 32.62 1u8r n PRO 127 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1u8r n PHE 128 N -1.06 0.08 -0.03 6.00 3.01 -1.26 -4.90 117.46 119.30 1u8r n PHE 128 Ca 0.03 -0.17 0.00 0.00 1.01 0.00 0.00 57.45 58.32 1u8r n PHE 128 Cb 0.02 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.48 1u8r n PHE 128 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1u8r n GLY 129 N 0.21 1.09 3.75 1.37 0.00 0.17 -1.66 105.19 110.12 1u8r n GLY 129 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 1u8r n GLY 129 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1u8r s ASN 130 N -2.77 7.48 0.59 1.61 -0.87 -1.26 -4.64 114.94 115.07 1u8r s ASN 130 Ca 0.00 2.05 -0.18 0.00 -1.57 0.00 0.00 52.86 53.16 1u8r s ASN 130 Cb 0.00 -2.61 -0.03 0.00 -0.02 0.00 0.00 41.25 38.58 1u8r s ASN 130 CO 0.00 0.00 1.16 -2.16 -2.57 0.00 0.00 177.10 173.53 1u8r s PRO 131 N -1.06 3.05 -0.53 -0.60 0.04 -1.26 -0.86 135.00 133.78 1u8r s PRO 131 Ca 0.44 1.67 -0.21 0.00 0.04 0.00 0.00 61.00 62.93 1u8r s PRO 131 Cb -0.28 -1.96 0.05 0.00 0.04 0.00 0.00 34.50 32.35 1u8r s PRO 131 CO 0.35 -1.11 0.77 0.42 0.04 0.00 0.00 177.00 177.47 1u8r s ILE 132 N -1.81 4.66 1.17 0.56 1.01 -0.75 -4.85 121.20 121.19 1u8r s ILE 132 Ca 0.74 -0.17 -0.16 0.00 0.00 0.00 0.00 60.65 61.05 1u8r s ILE 132 Cb -0.26 -4.41 0.27 0.00 0.01 0.00 0.00 42.46 38.07 1u8r s ILE 132 CO 0.33 -0.95 1.06 -2.16 0.00 0.00 0.00 174.94 173.22 1u8r s PRO 133 N 3.21 -0.96 -0.56 2.79 0.04 -1.26 -4.07 135.00 134.19 1u8r s PRO 133 Ca 0.22 0.29 -0.05 0.00 0.04 0.00 0.00 61.00 61.50 1u8r s PRO 133 Cb -0.16 -1.59 0.05 0.00 0.04 0.00 0.00 34.50 32.83 1u8r s PRO 133 CO 0.15 -3.61 0.16 0.41 0.04 0.00 0.00 177.00 174.14 1u8r n GLY 134 N -0.33 -0.48 0.20 0.56 0.00 -1.26 -4.65 105.19 99.23 1u8r n GLY 134 Ca 0.08 0.02 -0.00 0.00 0.00 0.00 0.00 46.02 46.12 1u8r n GLY 134 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1u8r h LEU 135 N -0.25 0.18 0.17 0.99 3.38 -1.95 -3.04 115.31 114.79 1u8r h LEU 135 Ca -0.18 -0.07 -0.25 0.00 0.09 0.00 0.00 57.88 57.48 1u8r h LEU 135 Cb 1.12 -0.05 0.03 0.00 0.09 0.00 0.00 40.66 41.85 1u8r h LEU 135 CO 0.25 0.54 -1.07 -2.24 0.09 0.00 0.00 178.44 176.01 1u8r h ASP 136 N 0.16 0.65 0.20 -0.43 2.03 -1.88 -2.77 116.42 114.38 1u8r h ASP 136 Ca 0.02 -0.91 0.00 0.00 -0.73 0.00 0.00 57.03 55.40 1u8r h ASP 136 Cb 0.73 -0.21 0.00 0.00 -0.83 0.00 0.00 39.33 39.01 1u8r h ASP 136 CO 0.05 1.52 0.00 -1.84 -1.03 0.00 0.00 179.24 177.94 1u8r n GLU 137 N -3.96 0.12 -0.04 4.15 0.00 -1.23 -0.51 120.64 119.18 1u8r n GLU 137 Ca -0.15 0.21 -0.19 0.00 0.00 0.00 0.00 57.16 57.03 1u8r n GLU 137 Cb 0.93 -1.50 -0.13 0.00 0.00 0.00 0.00 31.44 30.74 1u8r n GLU 137 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 1u8r h LEU 138 N 0.00 0.18 0.00 -1.84 6.46 -1.41 -3.49 115.31 115.21 1u8r h LEU 138 Ca 0.00 -0.82 0.00 0.00 -0.12 0.00 0.00 57.88 56.94 1u8r h LEU 138 Cb 0.10 -0.06 0.00 0.00 -0.73 0.00 0.00 40.66 39.97 1u8r h LEU 138 CO 0.00 1.37 0.00 0.61 -0.62 0.00 0.00 178.44 179.80 1u8r n GLY 139 N 1.61 0.33 0.00 3.75 0.00 0.33 -5.02 105.19 106.19 1u8r n GLY 139 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1u8r n GLY 139 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1u8r n VAL 140 N 0.00 0.00 -1.00 1.61 0.24 -1.13 -5.02 118.33 113.03 1u8r n VAL 140 Ca 0.00 0.00 0.13 0.00 -2.04 0.00 0.00 64.34 62.43 1u8r n VAL 140 Cb 0.00 0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.32 1u8r n VAL 140 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1u8r n GLY 141 N 0.00 -2.34 0.00 7.63 0.00 -1.26 -4.24 105.19 104.98 1u8r n GLY 141 Ca 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.79 1u8r n GLY 141 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1u8r n LEU 151 N -3.69 0.00 -4.63 0.99 7.94 -1.26 -4.94 117.00 111.42 1u8r n LEU 151 Ca -0.02 0.00 -0.28 0.00 -1.11 0.00 0.00 56.01 54.59 1u8r n LEU 151 Cb 0.47 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 44.32 1u8r n LEU 151 CO 0.02 0.00 -0.26 0.68 -1.11 0.00 0.00 177.39 176.72 1u8r s VAL 152 N 0.00 1.30 -0.12 1.96 -7.23 0.15 -4.96 120.40 111.49 1u8r s VAL 152 Ca 0.00 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.15 1u8r s VAL 152 Cb 0.00 -2.53 -0.03 0.00 0.56 0.00 0.00 36.38 34.38 1u8r s VAL 152 CO 0.00 0.00 -0.07 -0.60 -0.31 0.00 0.00 175.10 174.12 1u8r s ARG 153 N -3.80 3.32 0.63 4.82 3.52 -1.26 -0.32 118.95 125.85 1u8r s ARG 153 Ca 0.22 -0.56 0.19 0.00 -0.13 0.00 0.00 55.73 55.45 1u8r s ARG 153 Cb 0.05 -2.75 0.75 0.00 -1.56 0.00 0.00 34.95 31.44 1u8r s ARG 153 CO 0.11 0.37 1.33 -0.07 -0.81 0.00 0.00 175.30 176.23 1u8r h LEU 154 N 6.24 0.00 -0.06 -0.88 3.38 -1.37 1.32 115.31 123.93 1u8r h LEU 154 Ca -0.35 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.40 1u8r h LEU 154 Cb 1.19 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.92 1u8r h LEU 154 CO 0.58 0.00 -1.02 0.71 0.09 0.00 0.00 178.44 178.80 1u8r h THR 155 N 0.00 1.60 -0.15 0.22 1.35 -1.86 -3.22 112.91 110.87 1u8r h THR 155 Ca 0.27 -3.11 -0.07 0.00 -0.55 0.00 0.00 66.41 62.95 1u8r h THR 155 Cb 2.26 2.76 -0.04 0.00 -1.73 0.00 0.00 68.15 71.40 1u8r h THR 155 CO -0.00 0.90 0.08 -0.62 -0.25 0.00 0.00 175.52 175.63 1u8r n GLU 156 N -3.48 1.28 -4.11 4.72 1.02 0.45 -4.80 120.64 115.72 1u8r n GLU 156 Ca -0.03 -0.48 -0.34 0.00 -0.02 0.00 0.00 57.16 56.28 1u8r n GLU 156 Cb 0.92 -1.27 -0.14 0.00 -0.02 0.00 0.00 31.44 30.93 1u8r n GLU 156 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1u8r s LEU 157 N -0.51 2.90 0.46 -4.62 2.96 -1.22 -4.80 118.68 113.85 1u8r s LEU 157 Ca 0.09 -0.35 -0.24 0.00 -0.22 0.00 0.00 54.13 53.40 1u8r s LEU 157 Cb 0.07 -1.72 -0.09 0.00 0.50 0.00 0.00 46.19 44.96 1u8r s LEU 157 CO 0.02 0.03 1.29 -0.81 -1.32 0.00 0.00 176.35 175.56 1u8r n PRO 158 N 4.44 1.88 -1.33 0.98 -0.04 -1.26 -4.87 135.00 134.80 1u8r n PRO 158 Ca -0.18 0.67 -0.20 0.00 -0.04 0.00 0.00 63.50 63.75 1u8r n PRO 158 Cb 0.51 -2.44 0.14 0.00 -0.04 0.00 0.00 33.50 31.67 1u8r n PRO 158 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1u8r n ALA 159 N -0.42 -1.02 0.00 0.55 0.00 -1.26 -4.70 120.51 113.65 1u8r n ALA 159 Ca 0.07 -1.20 0.00 0.00 0.00 0.00 0.00 53.44 52.32 1u8r n ALA 159 Cb 0.41 -0.05 0.00 0.00 0.00 0.00 0.00 19.45 19.81 1u8r n ALA 159 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u8r n GLY 160 N -0.95 1.13 3.84 0.00 0.00 -1.26 -4.98 105.19 102.96 1u8r n GLY 160 Ca 0.11 -0.97 -0.37 0.00 0.00 0.00 0.00 46.02 44.79 1u8r n GLY 160 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1u8r s SER 161 N -4.00 6.77 1.07 1.61 0.15 -1.26 -4.86 113.70 113.18 1u8r s SER 161 Ca 0.00 0.92 -0.23 0.00 0.70 0.00 0.00 55.95 57.35 1u8r s SER 161 Cb 0.00 -2.23 -0.03 0.00 -1.71 0.00 0.00 66.02 62.05 1u8r s SER 161 CO 0.00 0.29 -0.70 -2.65 1.20 0.00 0.00 173.24 171.38 1u8r n PRO 162 N 1.62 -0.92 -3.78 5.44 -0.02 -1.26 -4.93 135.00 131.14 1u8r n PRO 162 Ca -0.13 -0.26 -0.13 0.00 -2.02 0.00 0.00 63.50 60.97 1u8r n PRO 162 Cb 0.52 -1.39 -0.12 0.00 -0.02 0.00 0.00 33.50 32.50 1u8r n PRO 162 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1u8r s VAL 163 N -2.13 -0.00 -0.16 -1.45 1.01 -0.56 -4.94 120.40 112.17 1u8r s VAL 163 Ca 0.47 0.01 -0.20 0.00 0.00 0.00 0.00 61.98 62.26 1u8r s VAL 163 Cb -0.01 -0.35 -0.03 0.00 0.00 0.00 0.00 36.38 35.99 1u8r s VAL 163 CO 0.66 0.00 0.59 0.00 0.00 0.00 0.00 175.10 176.35 1u8r s ALA 164 N 0.22 3.49 0.24 5.51 0.00 -1.26 -0.91 121.76 129.04 1u8r s ALA 164 Ca -0.01 -0.20 -0.04 0.00 0.00 0.00 0.00 51.96 51.72 1u8r s ALA 164 Cb -0.02 -2.87 -0.03 0.00 0.00 0.00 0.00 23.12 20.20 1u8r s ALA 164 CO -0.00 -0.33 0.27 0.14 0.00 0.00 0.00 175.76 175.84 1u8r s VAL 165 N 1.38 0.00 -0.17 0.00 -7.23 -0.27 -2.52 120.40 111.60 1u8r s VAL 165 Ca 0.29 -1.79 0.00 0.00 -1.81 0.00 0.00 61.98 58.67 1u8r s VAL 165 Cb -0.16 -2.43 0.03 0.00 0.56 0.00 0.00 36.38 34.39 1u8r s VAL 165 CO 0.12 0.00 -0.10 0.54 -0.31 0.00 0.00 175.10 175.34 1u8r s VAL 166 N -3.96 1.45 -0.13 1.32 0.11 -0.77 -1.27 120.40 117.14 1u8r s VAL 166 Ca 0.34 -0.74 -0.36 0.00 -2.93 0.00 0.00 61.98 58.28 1u8r s VAL 166 Cb 0.04 -1.49 -0.14 0.00 -1.53 0.00 0.00 36.38 33.26 1u8r s VAL 166 CO 0.13 0.27 1.78 0.52 -3.33 0.00 0.00 175.10 174.48 1u8r n VAL 167 N 4.77 0.41 -0.06 2.04 0.31 -1.04 -2.30 118.33 122.47 1u8r n VAL 167 Ca -0.15 -0.07 -0.08 0.00 -0.01 0.00 0.00 64.34 64.03 1u8r n VAL 167 Cb 0.48 -1.56 -0.06 0.00 -0.91 0.00 0.00 33.84 31.79 1u8r n VAL 167 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1u8r n ARG 168 N 5.73 0.84 -3.89 5.55 5.12 -0.52 -0.47 116.66 129.02 1u8r n ARG 168 Ca 0.23 0.05 -0.11 0.00 -1.93 0.00 0.00 57.85 56.10 1u8r n ARG 168 Cb 0.23 -1.25 -0.11 0.00 -1.16 0.00 0.00 32.46 30.16 1u8r n ARG 168 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1u8r s GLN 169 N -2.25 0.30 -0.48 5.56 -0.21 -0.56 -4.41 119.66 117.61 1u8r s GLN 169 Ca -0.14 -0.27 0.03 0.00 0.02 0.00 0.00 55.36 55.00 1u8r s GLN 169 Cb 0.04 0.12 0.15 0.00 1.00 0.00 0.00 33.01 34.33 1u8r s GLN 169 CO 0.32 -0.06 0.32 -0.51 -2.12 0.00 0.00 175.29 173.24 1u8r s LEU 170 N -0.90 2.63 0.66 2.90 1.43 -0.67 -2.06 118.68 122.67 1u8r s LEU 170 Ca -0.10 -3.00 -0.17 0.00 -1.03 0.00 0.00 54.13 49.83 1u8r s LEU 170 Cb -0.06 -0.93 -0.02 0.00 0.03 0.00 0.00 46.19 45.21 1u8r s LEU 170 CO 0.00 -0.20 1.04 0.35 0.23 0.00 0.00 176.35 177.77 1u8r n THR 171 N 3.02 3.76 -0.31 5.49 -2.24 -1.02 -4.63 114.28 118.34 1u8r n THR 171 Ca 0.18 -0.46 0.29 0.00 -2.27 0.00 0.00 64.05 61.79 1u8r n THR 171 Cb 0.39 -1.21 0.51 0.00 -2.10 0.00 0.00 70.33 67.92 1u8r n THR 171 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1u8r n GLU 172 N -1.53 -0.04 -0.26 -0.78 -0.58 -1.26 -0.68 120.64 115.51 1u8r n GLU 172 Ca 0.14 1.06 -0.01 0.00 -0.42 0.00 0.00 57.16 57.93 1u8r n GLU 172 Cb 0.48 -1.98 0.11 0.00 -0.57 0.00 0.00 31.44 29.48 1u8r n GLU 172 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1u8r h HIS 173 N 0.00 0.80 -0.25 -0.32 2.76 -1.92 -0.20 115.15 116.03 1u8r h HIS 173 Ca 0.69 0.03 -0.15 0.00 -2.20 0.00 0.00 60.37 58.74 1u8r h HIS 173 Cb 2.02 -0.25 -0.01 0.00 1.55 0.00 0.00 27.41 30.72 1u8r h HIS 173 CO -0.01 0.39 -0.46 -0.24 -1.30 0.00 0.00 177.93 176.32 1u8r h VAL 174 N 0.80 1.30 -0.16 5.26 3.04 -1.19 -2.10 116.25 123.20 1u8r h VAL 174 Ca 0.33 -1.65 0.05 0.00 -1.01 0.00 0.00 66.70 64.41 1u8r h VAL 174 Cb 0.17 1.60 -0.01 0.00 -2.01 0.00 0.00 31.29 31.05 1u8r h VAL 174 CO -0.17 0.52 0.20 1.56 -1.01 0.00 0.00 177.57 178.67 1u8r h GLN 175 N 0.51 0.00 0.51 4.17 4.20 -1.05 -2.55 115.11 120.90 1u8r h GLN 175 Ca 0.03 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.72 1u8r h GLN 175 Cb 0.99 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.78 1u8r h GLN 175 CO 0.09 0.00 -0.24 0.78 -0.67 0.00 0.00 178.83 178.79 1u8r h GLY 176 N 0.00 -0.71 -7.38 3.46 0.00 -0.37 -3.38 103.07 94.70 1u8r h GLY 176 Ca 0.08 0.26 -0.43 0.00 0.00 0.00 0.00 47.33 47.24 1u8r h GLY 176 CO -0.00 -0.26 1.12 -0.35 0.00 0.00 0.00 176.54 177.05 1u8r s ASP 177 N -4.71 5.28 0.27 0.19 3.68 -0.96 -4.81 116.67 115.61 1u8r s ASP 177 Ca -0.15 -0.10 -0.03 0.00 2.13 0.00 0.00 52.55 54.39 1u8r s ASP 177 Cb 0.03 -2.54 0.35 0.00 -1.45 0.00 0.00 42.92 39.30 1u8r s ASP 177 CO 0.56 -2.47 1.88 -0.29 0.13 0.00 0.00 175.17 174.98 1u8r h ILE 178 N 6.99 1.23 -0.83 4.11 2.10 -1.82 -0.25 117.51 129.05 1u8r h ILE 178 Ca -0.12 -0.61 0.05 0.00 1.08 0.00 0.00 64.86 65.26 1u8r h ILE 178 Cb 1.10 0.23 -0.06 0.00 -1.09 0.00 0.00 36.82 37.00 1u8r h ILE 178 CO 1.22 0.27 0.52 0.44 -1.08 0.00 0.00 178.15 179.51 1u8r h ASP 179 N 1.07 0.82 -0.02 2.19 3.32 -1.95 -1.33 116.42 120.52 1u8r h ASP 179 Ca 0.27 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.28 1u8r h ASP 179 Cb 0.06 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.45 1u8r h ASP 179 CO -0.04 0.54 -0.16 0.25 -1.72 0.00 0.00 179.24 178.12 1u8r h LEU 180 N 0.96 0.16 -2.77 1.55 5.85 -1.77 -2.35 115.31 116.95 1u8r h LEU 180 Ca 0.35 -0.72 0.00 0.00 0.84 0.00 0.00 57.88 58.36 1u8r h LEU 180 Cb 0.12 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.10 1u8r h LEU 180 CO -0.15 0.86 0.06 -0.29 -0.34 0.00 0.00 178.44 178.57 1u8r h ILE 181 N -0.52 0.06 0.00 4.05 6.09 -0.94 0.48 117.51 126.74 1u8r h ILE 181 Ca -0.02 0.00 -0.00 0.00 -1.37 0.00 0.00 64.86 63.47 1u8r h ILE 181 Cb 0.87 0.94 0.00 0.00 0.47 0.00 0.00 36.82 39.10 1u8r h ILE 181 CO 0.03 0.00 -0.00 0.74 -3.07 0.00 0.00 178.15 175.85 1u8r h THR 182 N 0.00 1.69 -0.77 2.19 2.02 -1.17 -3.06 112.91 113.82 1u8r h THR 182 Ca 0.00 -2.25 0.08 0.00 0.77 0.00 0.00 66.41 65.02 1u8r h THR 182 Cb 0.12 3.19 -0.07 0.00 -1.74 0.00 0.00 68.15 69.65 1u8r h THR 182 CO -0.00 0.57 0.44 0.03 0.37 0.00 0.00 175.52 176.93 1u8r h ARG 183 N -0.99 0.74 -0.80 6.66 3.08 -0.63 -1.24 114.38 121.19 1u8r h ARG 183 Ca -0.00 -0.04 0.04 0.00 0.07 0.00 0.00 59.98 60.04 1u8r h ARG 183 Cb 0.94 -0.17 -0.05 0.00 0.08 0.00 0.00 29.97 30.77 1u8r h ARG 183 CO 0.00 0.49 0.53 -0.07 -1.07 0.00 0.00 179.97 179.84 1u8r h LEU 184 N 0.76 0.84 -0.15 3.04 3.38 -1.06 0.40 115.31 122.50 1u8r h LEU 184 Ca 0.36 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.28 1u8r h LEU 184 Cb 0.30 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 1u8r h LEU 184 CO -0.23 0.57 -0.08 0.50 0.09 0.00 0.00 178.44 179.30 1u8r h LYS 185 N 0.97 0.32 -0.85 1.13 3.64 -1.16 0.27 116.57 120.90 1u8r h LYS 185 Ca 0.32 -0.14 0.04 0.00 -1.27 0.00 0.00 60.65 59.60 1u8r h LYS 185 Cb 0.07 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 31.83 1u8r h LYS 185 CO -0.10 0.65 0.56 -0.44 -2.27 0.00 0.00 179.45 177.85 1u8r h ASP 186 N -0.01 0.90 -0.35 4.20 3.45 -0.63 0.25 116.42 124.22 1u8r h ASP 186 Ca 0.03 -0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.49 1u8r h ASP 186 Cb 0.55 -0.20 0.00 0.00 -0.56 0.00 0.00 39.33 39.12 1u8r h ASP 186 CO 0.02 0.61 0.00 0.00 -1.57 0.00 0.00 179.24 178.31 1u8r n ALA 187 N -2.41 2.65 -0.63 3.45 0.00 0.07 -4.91 120.51 118.73 1u8r n ALA 187 Ca 0.11 -0.74 0.00 0.00 0.00 0.00 0.00 53.44 52.81 1u8r n ALA 187 Cb 0.12 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.58 1u8r n ALA 187 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u8r n GLY 188 N 0.88 0.45 3.57 0.00 0.00 0.07 -4.85 105.19 105.31 1u8r n GLY 188 Ca 0.13 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.95 1u8r n GLY 188 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u8r s VAL 189 N -2.12 3.23 0.28 1.61 1.01 0.89 -4.83 120.40 120.48 1u8r s VAL 189 Ca 0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 61.98 61.68 1u8r s VAL 189 Cb 0.00 -3.78 -0.02 0.00 0.00 0.00 0.00 36.38 32.58 1u8r s VAL 189 CO 0.00 -0.46 0.32 0.68 0.00 0.00 0.00 175.10 175.64 1u8r s VAL 190 N 13.29 0.00 0.19 2.92 -7.23 -1.26 -4.55 120.40 123.76 1u8r s VAL 190 Ca 0.80 -1.79 -0.31 0.00 -1.81 0.00 0.00 61.98 58.87 1u8r s VAL 190 Cb -0.07 -2.49 -0.16 0.00 0.56 0.00 0.00 36.38 34.22 1u8r s VAL 190 CO 0.09 0.00 0.98 -2.65 -0.31 0.00 0.00 175.10 173.20 1u8r n PRO 191 N -0.45 0.85 -3.22 4.82 -0.02 -1.26 -2.87 135.00 132.84 1u8r n PRO 191 Ca 0.02 0.30 -0.11 0.00 -2.02 0.00 0.00 63.50 61.69 1u8r n PRO 191 Cb 0.63 -1.66 0.04 0.00 -0.02 0.00 0.00 33.50 32.50 1u8r n PRO 191 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1u8r n ASN 192 N 1.77 -6.93 -3.53 2.55 3.02 0.38 -4.98 115.26 107.54 1u8r n ASN 192 Ca 0.15 -0.52 -0.17 0.00 -0.03 0.00 0.00 54.58 54.00 1u8r n ASN 192 Cb 0.25 -5.07 -0.13 0.00 -0.61 0.00 0.00 39.78 34.21 1u8r n ASN 192 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1u8r s ALA 193 N -3.26 -0.31 0.23 5.41 0.00 -1.14 -4.97 121.76 117.72 1u8r s ALA 193 Ca 0.30 0.40 -0.30 0.00 0.00 0.00 0.00 51.96 52.36 1u8r s ALA 193 Cb -0.05 -1.23 -0.09 0.00 0.00 0.00 0.00 23.12 21.75 1u8r s ALA 193 CO 0.75 -1.06 1.30 1.03 0.00 0.00 0.00 175.76 177.78 1u8r s ARG 194 N 2.34 4.40 0.11 0.00 0.52 -1.26 -2.50 118.95 122.57 1u8r s ARG 194 Ca 0.06 2.07 -0.25 0.00 -0.52 0.00 0.00 55.73 57.09 1u8r s ARG 194 Cb -0.15 -3.17 0.08 0.00 0.52 0.00 0.00 34.95 32.23 1u8r s ARG 194 CO -0.11 -0.21 0.76 0.54 0.02 0.00 0.00 175.30 176.31 1u8r s VAL 195 N -0.22 0.00 0.06 3.52 0.11 -0.40 -4.80 120.40 118.67 1u8r s VAL 195 Ca 0.54 -0.20 0.06 0.00 -2.93 0.00 0.00 61.98 59.46 1u8r s VAL 195 Cb -0.37 -1.24 -0.04 0.00 -1.53 0.00 0.00 36.38 33.21 1u8r s VAL 195 CO 0.41 0.00 -0.12 0.42 -3.33 0.00 0.00 175.10 172.48 1u8r s THR 196 N -3.48 3.25 0.01 5.04 -4.23 -1.03 -1.11 115.64 114.09 1u8r s THR 196 Ca 0.05 -1.14 0.04 0.00 -1.18 0.00 0.00 61.69 59.46 1u8r s THR 196 Cb -0.02 -2.45 -0.01 0.00 1.34 0.00 0.00 72.50 71.35 1u8r s THR 196 CO -0.07 0.24 -0.11 0.68 -0.54 0.00 0.00 174.62 174.81 1u8r s VAL 197 N -1.08 0.89 -0.02 2.29 -7.23 -0.09 0.18 120.40 115.34 1u8r s VAL 197 Ca 0.18 -0.69 0.01 0.00 -1.81 0.00 0.00 61.98 59.67 1u8r s VAL 197 Cb -0.11 -0.79 0.01 0.00 0.56 0.00 0.00 36.38 36.06 1u8r s VAL 197 CO 0.10 0.10 -0.03 -0.70 -0.31 0.00 0.00 175.10 174.25 1u8r s GLU 198 N -0.67 0.47 -0.03 4.82 2.12 -0.32 -1.49 118.70 123.59 1u8r s GLU 198 Ca 0.02 -0.07 -0.30 0.00 0.36 0.00 0.00 54.97 54.98 1u8r s GLU 198 Cb -0.06 -0.53 -0.06 0.00 0.26 0.00 0.00 34.13 33.75 1u8r s GLU 198 CO 0.00 -0.02 1.65 0.99 -0.54 0.00 0.00 175.26 177.34 1u8r s THR 199 N 0.53 3.50 0.82 -1.70 2.01 -1.26 -0.71 115.64 118.83 1u8r s THR 199 Ca -0.06 0.68 -0.12 0.00 0.31 0.00 0.00 61.69 62.50 1u8r s THR 199 Cb -0.09 -3.44 0.09 0.00 0.01 0.00 0.00 72.50 69.07 1u8r s THR 199 CO -0.01 -0.05 1.16 0.28 -0.69 0.00 0.00 174.62 175.31 1u8r s THR 200 N 3.75 2.23 0.12 -0.82 -1.32 -0.90 -4.71 115.64 114.00 1u8r s THR 200 Ca 0.73 0.07 -0.20 0.00 -1.21 0.00 0.00 61.69 61.09 1u8r s THR 200 Cb -0.34 -3.00 -0.06 0.00 -1.51 0.00 0.00 72.50 67.59 1u8r s THR 200 CO 0.30 -0.10 1.76 -0.65 -2.21 0.00 0.00 174.62 173.73 1u8r h PRO 201 N -1.13 0.22 -2.77 7.08 0.11 -1.95 -3.23 132.00 130.33 1u8r h PRO 201 Ca -0.47 -0.01 -0.59 0.00 0.11 0.00 0.00 66.00 65.04 1u8r h PRO 201 Cb 1.32 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.38 1u8r h PRO 201 CO 0.64 0.14 2.93 0.41 -0.21 0.00 0.00 178.00 181.92 1u8r n GLY 202 N -1.15 4.11 2.56 -0.55 0.00 -1.26 -4.69 105.19 104.20 1u8r n GLY 202 Ca -0.03 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.49 1u8r n GLY 202 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u8r n GLY 203 N 3.18 0.00 0.00 -0.02 0.00 -1.22 -4.54 105.19 102.59 1u8r n GLY 203 Ca 0.71 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.73 1u8r n GLY 203 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u8r n GLY 204 N 0.18 -0.78 3.29 -0.02 0.00 -1.26 -4.15 105.19 102.46 1u8r n GLY 204 Ca 0.00 -1.67 -0.12 0.00 0.00 0.00 0.00 46.02 44.23 1u8r n GLY 204 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u8r s VAL 205 N -0.36 -0.01 -0.17 1.61 1.01 -0.68 -2.12 120.40 119.69 1u8r s VAL 205 Ca 0.00 0.03 -0.02 0.00 0.00 0.00 0.00 61.98 61.99 1u8r s VAL 205 Cb 0.00 -0.58 -0.01 0.00 0.00 0.00 0.00 36.38 35.79 1u8r s VAL 205 CO 0.00 0.01 -0.10 -0.89 0.00 0.00 0.00 175.10 174.12 1u8r s THR 206 N 0.56 3.10 -0.25 3.92 2.01 0.11 -0.49 115.64 124.60 1u8r s THR 206 Ca -0.03 -0.62 -0.10 0.00 0.31 0.00 0.00 61.69 61.25 1u8r s THR 206 Cb -0.04 -2.35 -0.05 0.00 0.01 0.00 0.00 72.50 70.07 1u8r s THR 206 CO -0.03 0.49 0.16 -0.63 -0.69 0.00 0.00 174.62 173.92 1u8r s ILE 207 N 0.87 5.26 -0.41 1.82 1.01 0.40 -1.18 121.20 128.97 1u8r s ILE 207 Ca -0.03 0.15 -0.12 0.00 0.00 0.00 0.00 60.65 60.65 1u8r s ILE 207 Cb -0.15 -3.47 0.05 0.00 0.01 0.00 0.00 42.46 38.90 1u8r s ILE 207 CO 0.00 0.32 0.27 -0.69 0.00 0.00 0.00 174.94 174.84 1u8r s VAL 208 N 1.30 4.69 -0.28 2.92 1.01 0.13 -1.97 120.40 128.19 1u8r s VAL 208 Ca 0.07 -1.04 -0.12 0.00 0.00 0.00 0.00 61.98 60.89 1u8r s VAL 208 Cb -0.14 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 1u8r s VAL 208 CO 0.07 -0.39 0.25 -0.63 0.00 0.00 0.00 175.10 174.40 1u8r s ILE 209 N 1.55 5.26 -0.40 2.22 1.09 -1.26 -2.47 121.20 127.20 1u8r s ILE 209 Ca 0.03 0.25 -0.27 0.00 -1.10 0.00 0.00 60.65 59.56 1u8r s ILE 209 Cb -0.21 -3.61 -0.06 0.00 -1.06 0.00 0.00 42.46 37.52 1u8r s ILE 209 CO 0.06 0.19 2.30 -2.16 -0.10 0.00 0.00 174.94 175.23 1u8r s PRO 210 N 1.86 2.51 0.00 2.79 0.04 -1.26 -2.12 135.00 138.82 1u8r s PRO 210 Ca 0.09 1.59 0.00 0.00 0.04 0.00 0.00 61.00 62.73 1u8r s PRO 210 Cb -0.16 -4.49 0.00 0.00 0.04 0.00 0.00 34.50 29.89 1u8r s PRO 210 CO 0.11 -2.81 0.00 0.41 0.04 0.00 0.00 177.00 174.75 1u8r n GLY 211 N 5.89 1.82 3.58 0.56 0.00 -1.26 -5.10 105.19 110.68 1u8r n GLY 211 Ca 0.33 -0.55 -0.23 0.00 0.00 0.00 0.00 46.02 45.57 1u8r n GLY 211 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1u8r s HIS 212 N -0.47 2.54 0.99 1.61 3.76 -0.90 -5.11 115.29 117.71 1u8r s HIS 212 Ca 0.00 -0.26 -0.16 0.00 -0.15 0.00 0.00 55.06 54.49 1u8r s HIS 212 Cb 0.00 -1.12 -0.05 0.00 1.11 0.00 0.00 32.58 32.52 1u8r s HIS 212 CO 0.00 0.66 -0.26 0.39 -0.85 0.00 0.00 174.74 174.68 1u8r n GLU 213 N -0.79 -0.25 -1.83 1.40 -0.58 -1.26 -4.36 120.64 112.98 1u8r n GLU 213 Ca -0.06 -0.05 -0.30 0.00 -0.42 0.00 0.00 57.16 56.32 1u8r n GLU 213 Cb 0.59 -1.43 0.04 0.00 -0.57 0.00 0.00 31.44 30.08 1u8r n GLU 213 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 1u8r s ASN 214 N -1.51 5.52 -0.04 1.62 0.01 -1.26 -4.53 114.94 114.74 1u8r s ASN 214 Ca 0.48 1.24 -0.02 0.00 -0.71 0.00 0.00 52.86 53.86 1u8r s ASN 214 Cb -0.17 -2.10 0.03 0.00 0.41 0.00 0.00 41.25 39.43 1u8r s ASN 214 CO 0.74 -1.31 0.07 0.54 -1.51 0.00 0.00 177.10 175.63 1u8r s VAL 215 N -3.28 -0.12 -0.13 1.60 0.11 -0.83 -5.01 120.40 112.74 1u8r s VAL 215 Ca 0.58 0.39 -0.04 0.00 -2.93 0.00 0.00 61.98 59.98 1u8r s VAL 215 Cb -0.12 -0.16 -0.03 0.00 -1.53 0.00 0.00 36.38 34.54 1u8r s VAL 215 CO 0.53 0.16 0.02 -0.89 -3.33 0.00 0.00 175.10 171.59 1u8r s THR 216 N 2.03 4.43 -0.10 5.04 2.01 -1.26 -0.46 115.64 127.34 1u8r s THR 216 Ca 0.03 -0.18 0.00 0.00 0.31 0.00 0.00 61.69 61.85 1u8r s THR 216 Cb -0.12 -2.93 -0.02 0.00 0.01 0.00 0.00 72.50 69.44 1u8r s THR 216 CO -0.03 0.54 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.58 1u8r s LEU 217 N -0.27 2.95 0.81 4.42 1.43 0.35 -5.00 118.68 123.38 1u8r s LEU 217 Ca 0.07 -0.17 -0.11 0.00 -1.03 0.00 0.00 54.13 52.89 1u8r s LEU 217 Cb -0.12 -1.65 0.08 0.00 0.03 0.00 0.00 46.19 44.52 1u8r s LEU 217 CO 0.02 0.27 1.09 -2.84 0.23 0.00 0.00 176.35 175.12 1u8r s PRO 218 N -0.24 1.96 0.28 1.29 0.02 -1.26 -1.69 135.00 135.35 1u8r s PRO 218 Ca 0.02 1.04 -0.01 0.00 0.02 0.00 0.00 61.00 62.07 1u8r s PRO 218 Cb -0.13 -1.87 0.63 0.00 0.02 0.00 0.00 34.50 33.15 1u8r s PRO 218 CO 0.03 -1.81 1.65 1.25 -0.33 0.00 0.00 177.00 177.78 1u8r h HIS 219 N -1.25 0.26 0.20 6.54 -0.00 -1.80 0.37 115.15 119.47 1u8r h HIS 219 Ca -0.45 0.05 -0.01 0.00 -0.00 0.00 0.00 60.37 59.96 1u8r h HIS 219 Cb 1.25 0.02 0.00 0.00 -0.00 0.00 0.00 27.41 28.68 1u8r h HIS 219 CO 0.53 -0.20 -0.10 1.05 -0.00 0.00 0.00 177.93 179.21 1u8r h GLU 220 N 0.19 -0.26 -0.61 5.26 4.11 -1.90 -1.76 114.58 119.61 1u8r h GLU 220 Ca 0.51 0.02 -0.01 0.00 0.07 0.00 0.00 59.36 59.95 1u8r h GLU 220 Cb 0.99 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.27 1u8r h GLU 220 CO -0.65 -0.15 0.36 0.52 0.07 0.00 0.00 179.01 179.16 1u8r h MET 221 N -0.30 0.83 -0.99 1.06 2.86 -1.67 -2.12 114.93 114.60 1u8r h MET 221 Ca -0.03 -0.07 0.01 0.00 -2.06 0.00 0.00 59.70 57.55 1u8r h MET 221 Cb 0.23 -0.17 -0.05 0.00 0.06 0.00 0.00 31.60 31.67 1u8r h MET 221 CO 0.05 0.59 0.65 0.00 1.06 0.00 0.00 176.91 179.26 1u8r h ALA 222 N 1.55 1.25 0.00 6.32 0.00 -0.53 -0.22 119.26 127.63 1u8r h ALA 222 Ca 0.22 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1u8r h ALA 222 Cb -0.02 -0.40 0.00 0.00 0.00 0.00 0.00 17.79 17.37 1u8r h ALA 222 CO -0.04 0.64 0.14 0.45 0.00 0.00 0.00 179.25 180.44 1u8r h HIS 223 N 1.33 0.00 -0.48 0.00 -0.00 -0.61 -1.73 115.15 113.65 1u8r h HIS 223 Ca 0.36 0.00 -0.06 0.00 -0.00 0.00 0.00 60.37 60.67 1u8r h HIS 223 Cb -0.15 0.00 -0.04 0.00 -0.00 0.00 0.00 27.41 27.22 1u8r h HIS 223 CO -0.00 0.00 0.06 0.00 -0.00 0.00 0.00 177.93 177.99 1u8r n ALA 224 N -1.82 3.75 -3.89 2.45 0.00 -0.09 -4.65 120.51 116.26 1u8r n ALA 224 Ca -0.02 -2.24 -0.27 0.00 0.00 0.00 0.00 53.44 50.91 1u8r n ALA 224 Cb 0.19 -0.98 -0.17 0.00 0.00 0.00 0.00 19.45 18.49 1u8r n ALA 224 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1u8r s VAL 225 N -2.88 1.12 -0.13 0.00 1.01 -0.65 -2.43 120.40 116.44 1u8r s VAL 225 Ca 0.50 -0.36 -0.05 0.00 0.00 0.00 0.00 61.98 62.07 1u8r s VAL 225 Cb 0.40 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.62 1u8r s VAL 225 CO 0.12 0.38 0.04 -0.54 0.00 0.00 0.00 175.10 175.10 1u8r s LYS 226 N 1.60 3.50 0.29 2.72 1.02 -0.88 -1.43 119.74 126.57 1u8r s LYS 226 Ca 0.04 -0.36 0.02 0.00 0.02 0.00 0.00 55.97 55.69 1u8r s LYS 226 Cb -0.13 -3.01 -0.05 0.00 -0.52 0.00 0.00 37.83 34.12 1u8r s LYS 226 CO -0.08 0.50 0.11 0.14 -0.92 0.00 0.00 175.35 175.10 1u8r s VAL 227 N -0.28 0.61 -0.16 3.17 -7.23 0.56 -1.44 120.40 115.63 1u8r s VAL 227 Ca 0.07 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.26 1u8r s VAL 227 Cb -0.12 -2.61 0.02 0.00 0.56 0.00 0.00 36.38 34.22 1u8r s VAL 227 CO 0.02 0.00 -0.21 -0.70 -0.31 0.00 0.00 175.10 173.90 1u8r s GLU 228 N -3.93 2.97 -0.39 4.82 2.12 -0.97 -0.68 118.70 122.64 1u8r s GLU 228 Ca 0.36 -0.83 -0.27 0.00 0.36 0.00 0.00 54.97 54.59 1u8r s GLU 228 Cb 0.07 -2.50 -0.05 0.00 0.26 0.00 0.00 34.13 31.91 1u8r s GLU 228 CO 0.15 -0.14 2.19 0.15 -0.54 0.00 0.00 175.26 177.07 1u8r s LYS 229 N 1.12 2.69 0.00 4.30 1.02 -1.26 -1.85 119.74 125.75 1u8r s LYS 229 Ca 0.00 1.53 0.00 0.00 0.02 0.00 0.00 55.97 57.52 1u8r s LYS 229 Cb -0.14 -4.43 0.00 0.00 -0.52 0.00 0.00 37.83 32.74 1u8r s LYS 229 CO -0.09 -2.62 0.00 0.28 -0.92 0.00 0.00 175.35 172.01