#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 -0.09 3.17 2.85 -1.26 -4.97 115.26 114.96 1u8r n ASN 2 Ca 0.00 0.00 -0.13 0.00 -0.11 0.00 0.00 54.58 54.34 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 -0.41 0.00 1.20 4.57 -2.04 -1.83 114.58 116.07 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 -0.28 0.00 -0.07 -1.18 0.00 0.00 179.01 177.48 1u8r h LEU 4 N -0.43 0.00 0.00 1.64 3.38 -1.98 -3.47 115.31 114.45 1u8r h LEU 4 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1u8r h LEU 4 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1u8r h LEU 4 CO -0.53 0.00 0.00 0.52 0.09 0.00 0.00 178.44 178.52 1u8r n VAL 5 N -2.65 0.00 -3.51 1.22 0.31 -0.69 -4.65 118.33 108.36 1u8r n VAL 5 Ca 0.03 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 64.10 1u8r n VAL 5 Cb 0.39 0.00 -0.14 0.00 -0.91 0.00 0.00 33.84 33.19 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 3.12 0.07 4.52 3.68 -1.26 -4.86 116.67 121.94 1u8r s ASP 6 Ca 0.00 -1.21 -0.20 0.00 2.13 0.00 0.00 52.55 53.27 1u8r s ASP 6 Cb 0.00 -0.17 -0.07 0.00 -1.45 0.00 0.00 42.92 41.23 1u8r s ASP 6 CO 0.00 -0.42 1.32 0.74 0.13 0.00 0.00 175.17 176.94 1u8r h THR 7 N 6.32 0.00 -0.74 1.71 2.02 -1.99 -1.64 112.91 118.60 1u8r h THR 7 Ca -0.18 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.12 1u8r h THR 7 Cb 1.02 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 67.31 1u8r h THR 7 CO 0.41 0.00 -0.41 0.74 0.37 0.00 0.00 175.52 176.63 1u8r h THR 8 N -0.33 0.08 -0.14 3.16 2.02 -1.98 0.48 112.91 116.19 1u8r h THR 8 Ca 0.02 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.23 1u8r h THR 8 Cb 0.39 0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 66.85 1u8r h THR 8 CO -0.27 0.00 -0.02 -0.33 0.37 0.00 0.00 175.52 175.27 1u8r h GLU 9 N -0.13 0.02 -0.91 6.66 5.08 -1.94 0.56 114.58 123.92 1u8r h GLU 9 Ca 0.24 -0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.65 1u8r h GLU 9 Cb 0.56 -0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.74 1u8r h GLU 9 CO -0.79 0.01 0.58 0.52 -1.00 0.00 0.00 179.01 178.33 1u8r h MET 10 N 0.02 1.05 -0.30 2.33 2.86 -0.27 0.24 114.93 120.86 1u8r h MET 10 Ca 0.07 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1u8r h MET 10 Cb 0.09 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 31.50 1u8r h MET 10 CO -0.13 0.69 0.19 1.88 1.06 0.00 0.00 176.91 180.60 1u8r h TYR 11 N 1.08 0.38 -0.08 -0.22 -1.99 -0.11 0.41 116.97 116.43 1u8r h TYR 11 Ca 0.38 0.01 0.03 0.00 2.00 0.00 0.00 58.73 61.15 1u8r h TYR 11 Cb 0.11 -0.13 -0.04 0.00 2.00 0.00 0.00 36.73 38.68 1u8r h TYR 11 CO -0.02 0.25 -0.13 -0.07 -0.00 0.00 0.00 178.16 178.20 1u8r h LEU 12 N 0.40 -0.39 -1.73 3.88 3.38 0.03 -1.12 115.31 119.75 1u8r h LEU 12 Ca 0.11 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.12 1u8r h LEU 12 Cb -0.03 0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 1u8r h LEU 12 CO -0.02 -0.17 -0.14 -0.09 0.09 0.00 0.00 178.44 178.10 1u8r h ARG 13 N -0.18 0.00 -0.13 1.13 1.12 -0.73 -1.01 114.38 114.59 1u8r h ARG 13 Ca 0.07 0.00 -0.15 0.00 -1.11 0.00 0.00 59.98 58.79 1u8r h ARG 13 Cb 0.28 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.23 1u8r h ARG 13 CO -0.19 0.14 -0.56 1.15 -3.11 0.00 0.00 179.97 177.40 1u8r h THR 14 N 0.00 1.35 -0.23 0.20 2.02 0.02 0.14 112.91 116.41 1u8r h THR 14 Ca -0.00 -1.85 -0.01 0.00 0.77 0.00 0.00 66.41 65.32 1u8r h THR 14 Cb 0.25 1.86 -0.01 0.00 -1.74 0.00 0.00 68.15 68.51 1u8r h THR 14 CO 0.02 0.56 0.10 0.40 0.37 0.00 0.00 175.52 176.97 1u8r h ILE 15 N 0.31 1.15 0.31 3.11 1.08 -0.04 -1.57 117.51 121.86 1u8r h ILE 15 Ca 0.00 -0.43 -0.01 0.00 -0.39 0.00 0.00 64.86 64.04 1u8r h ILE 15 Cb 1.08 1.01 -0.01 0.00 -3.07 0.00 0.00 36.82 35.83 1u8r h ILE 15 CO 0.10 0.15 -0.22 0.22 -0.69 0.00 0.00 178.15 177.70 1u8r h TYR 16 N 0.23 -0.59 -0.75 1.37 5.03 -1.03 -2.08 116.97 119.16 1u8r h TYR 16 Ca 0.08 -0.00 0.15 0.00 2.58 0.00 0.00 58.73 61.54 1u8r h TYR 16 Cb 0.14 0.22 -0.10 0.00 1.55 0.00 0.00 36.73 38.53 1u8r h TYR 16 CO -0.02 -0.34 0.25 -0.44 -1.32 0.00 0.00 178.16 176.29 1u8r h ASP 17 N -0.53 0.17 -0.66 -2.11 3.32 -0.60 0.43 116.42 116.44 1u8r h ASP 17 Ca -0.02 0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.15 1u8r h ASP 17 Cb 0.46 0.13 -0.03 0.00 0.22 0.00 0.00 39.33 40.11 1u8r h ASP 17 CO 0.00 0.04 0.41 -0.07 -1.72 0.00 0.00 179.24 177.90 1u8r h LEU 18 N 0.36 0.78 -0.59 1.55 3.38 -0.99 -0.71 115.31 119.09 1u8r h LEU 18 Ca 0.42 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.31 1u8r h LEU 18 Cb 0.68 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 1u8r h LEU 18 CO -0.45 0.59 0.26 -0.33 0.09 0.00 0.00 178.44 178.60 1u8r h GLU 19 N 0.89 0.87 -0.12 1.13 5.08 -0.34 -1.61 114.58 120.47 1u8r h GLU 19 Ca 0.24 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 1u8r h GLU 19 Cb -0.05 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.04 1u8r h GLU 19 CO -0.05 0.72 0.03 1.49 -1.00 0.00 0.00 179.01 180.21 1u8r h GLU 20 N 0.81 0.17 0.00 2.33 4.81 -0.48 -0.72 114.58 121.50 1u8r h GLU 20 Ca 0.20 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 1u8r h GLU 20 Cb 0.16 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.50 1u8r h GLU 20 CO -0.02 0.16 -0.24 0.39 -0.73 0.00 0.00 179.01 178.56 1u8r n GLU 21 N -4.47 0.07 -1.75 1.92 1.02 -0.32 -4.94 120.64 112.17 1u8r n GLU 21 Ca -0.01 0.04 -0.03 0.00 -0.02 0.00 0.00 57.16 57.14 1u8r n GLU 21 Cb 0.12 -1.56 -0.00 0.00 -0.02 0.00 0.00 31.44 29.97 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 1.45 0.36 3.62 0.62 0.00 -0.28 -4.66 105.19 106.30 1u8r n GLY 22 Ca 0.06 -0.83 -0.29 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.12 3.57 0.04 1.61 -7.23 -0.76 -5.03 120.40 110.47 1u8r s VAL 23 Ca 0.00 -1.28 -0.30 0.00 -1.81 0.00 0.00 61.98 58.58 1u8r s VAL 23 Cb 0.00 -2.71 -0.07 0.00 0.56 0.00 0.00 36.38 34.16 1u8r s VAL 23 CO 0.00 0.04 1.53 -0.89 -0.31 0.00 0.00 175.10 175.47 1u8r s THR 24 N -1.40 3.36 -1.01 5.32 2.01 -1.26 -4.26 115.64 118.40 1u8r s THR 24 Ca 0.24 0.78 -0.24 0.00 0.31 0.00 0.00 61.69 62.78 1u8r s THR 24 Cb -0.11 -3.50 -0.08 0.00 0.01 0.00 0.00 72.50 68.82 1u8r s THR 24 CO 0.16 -0.00 2.00 -2.84 -0.69 0.00 0.00 174.62 173.24 1u8r s PRO 25 N 2.52 2.34 0.23 4.92 0.02 -1.26 -4.94 135.00 138.82 1u8r s PRO 25 Ca 0.69 -0.55 0.06 0.00 0.02 0.00 0.00 61.00 61.22 1u8r s PRO 25 Cb -0.36 -5.10 -0.04 0.00 0.02 0.00 0.00 34.50 29.03 1u8r s PRO 25 CO 0.29 -3.86 0.20 -0.51 -0.33 0.00 0.00 177.00 172.79 1u8r s LEU 26 N 11.39 3.88 0.22 -5.54 1.43 -1.26 0.58 118.68 129.38 1u8r s LEU 26 Ca 0.72 -0.18 -0.06 0.00 -1.03 0.00 0.00 54.13 53.58 1u8r s LEU 26 Cb -0.05 -2.43 0.20 0.00 0.03 0.00 0.00 46.19 43.94 1u8r s LEU 26 CO 0.07 -0.01 1.76 0.03 0.23 0.00 0.00 176.35 178.43 1u8r h ARG 27 N 1.69 1.09 -0.91 1.70 3.08 -1.93 -2.12 114.38 116.98 1u8r h ARG 27 Ca -0.49 -0.23 0.18 0.00 0.07 0.00 0.00 59.98 59.52 1u8r h ARG 27 Cb 1.23 -0.16 -0.07 0.00 0.08 0.00 0.00 29.97 31.04 1u8r h ARG 27 CO 0.62 0.93 0.59 0.00 -1.07 0.00 0.00 179.97 181.04 1u8r h ALA 28 N 1.18 2.01 0.53 0.04 0.00 -1.96 -0.81 119.26 120.25 1u8r h ALA 28 Ca 0.23 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 1u8r h ALA 28 Cb 0.31 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.04 1u8r h ALA 28 CO -0.01 -0.30 -0.25 0.00 0.00 0.00 0.00 179.25 178.69 1u8r h ARG 29 N 0.55 -0.69 -0.63 0.00 2.47 -1.75 -2.51 114.38 111.83 1u8r h ARG 29 Ca 0.48 0.05 0.13 0.00 -1.26 0.00 0.00 59.98 59.38 1u8r h ARG 29 Cb 0.99 0.16 -0.10 0.00 -1.65 0.00 0.00 29.97 29.37 1u8r h ARG 29 CO -0.22 -0.41 0.06 0.82 0.56 0.00 0.00 179.97 180.78 1u8r h ILE 30 N -0.82 0.53 -0.57 2.04 2.04 -1.11 -0.37 117.51 119.25 1u8r h ILE 30 Ca -0.07 -0.06 0.08 0.00 1.00 0.00 0.00 64.86 65.81 1u8r h ILE 30 Cb 0.59 0.34 -0.07 0.00 -0.74 0.00 0.00 36.82 36.95 1u8r h ILE 30 CO 0.12 0.03 0.22 0.00 0.00 0.00 0.00 178.15 178.52 1u8r h ALA 31 N 1.55 0.73 0.65 1.87 0.00 -1.14 0.21 119.26 123.14 1u8r h ALA 31 Ca 0.33 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.29 1u8r h ALA 31 Cb 0.54 0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.38 1u8r h ALA 31 CO -0.50 -0.19 -0.31 0.93 0.00 0.00 0.00 179.25 179.18 1u8r h GLU 32 N 0.40 -0.85 -0.75 0.00 5.08 -0.66 -1.06 114.58 116.75 1u8r h GLU 32 Ca 0.28 0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.67 1u8r h GLU 32 Cb 0.33 0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.73 1u8r h GLU 32 CO -0.28 -0.55 0.34 0.00 -1.00 0.00 0.00 179.01 177.52 1u8r h ARG 33 N -0.93 1.09 -0.64 2.33 3.08 -0.84 -2.65 114.38 115.82 1u8r h ARG 33 Ca -0.09 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 59.79 1u8r h ARG 33 Cb 0.69 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.55 1u8r h ARG 33 CO 0.15 0.85 0.00 1.28 -1.07 0.00 0.00 179.97 181.18 1u8r n LEU 34 N -4.31 3.48 -3.92 3.04 4.77 0.71 -4.97 117.00 115.80 1u8r n LEU 34 Ca 0.07 -1.74 -0.34 0.00 -0.03 0.00 0.00 56.01 53.97 1u8r n LEU 34 Cb 0.15 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.81 1u8r n LEU 34 CO 0.39 0.85 -0.18 -0.67 -1.33 0.00 0.00 177.39 176.45 1u8r n ASP 35 N 1.35 -2.94 -4.25 -1.43 -0.08 -0.46 -5.00 116.55 103.75 1u8r n ASP 35 Ca 0.22 -1.11 -0.18 0.00 -1.51 0.00 0.00 54.79 52.20 1u8r n ASP 35 Cb 0.56 -2.67 -0.11 0.00 2.34 0.00 0.00 41.12 41.23 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 -6.66 1.04 0.86 -0.67 -0.21 -0.83 -5.06 119.66 108.13 1u8r s GLN 36 Ca 0.30 -1.25 -0.11 0.00 0.02 0.00 0.00 55.36 54.32 1u8r s GLN 36 Cb -0.13 -0.91 0.11 0.00 1.00 0.00 0.00 33.01 33.08 1u8r s GLN 36 CO 0.91 0.17 1.11 -1.54 -2.12 0.00 0.00 175.29 173.82 1u8r s SER 37 N -2.49 3.59 0.12 5.90 1.04 -1.26 -4.60 113.70 116.00 1u8r s SER 37 Ca 0.09 1.88 -0.26 0.00 0.48 0.00 0.00 55.95 58.15 1u8r s SER 37 Cb -0.05 -2.47 -0.05 0.00 0.10 0.00 0.00 66.02 63.55 1u8r s SER 37 CO 0.03 -2.62 1.64 1.23 0.98 0.00 0.00 173.24 174.50 1u8r h GLY 38 N -1.54 -0.37 0.54 7.32 0.00 -1.98 -2.36 103.07 104.68 1u8r h GLY 38 Ca -0.45 0.29 0.10 0.00 0.00 0.00 0.00 47.33 47.27 1u8r h GLY 38 CO 0.48 -0.21 0.57 -2.55 0.00 0.00 0.00 176.54 174.84 1u8r h PRO 39 N -0.38 0.92 0.70 4.80 0.11 -1.99 -2.04 132.00 134.12 1u8r h PRO 39 Ca 0.06 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.08 1u8r h PRO 39 Cb 0.46 -0.21 0.01 0.00 0.11 0.00 0.00 31.00 31.37 1u8r h PRO 39 CO -0.21 0.61 -0.34 1.15 -0.21 0.00 0.00 178.00 179.00 1u8r h THR 40 N 0.95 0.30 -0.85 -1.15 2.02 -1.80 -0.04 112.91 112.34 1u8r h THR 40 Ca 0.45 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.69 1u8r h THR 40 Cb 0.38 0.30 -0.05 0.00 -1.74 0.00 0.00 68.15 67.04 1u8r h THR 40 CO -0.24 0.00 0.56 -0.37 0.37 0.00 0.00 175.52 175.83 1u8r h VAL 41 N -0.95 1.06 0.65 3.16 -1.51 -1.21 -0.67 116.25 116.78 1u8r h VAL 41 Ca -0.10 -0.33 -0.03 0.00 -1.23 0.00 0.00 66.70 65.01 1u8r h VAL 41 Cb 0.73 0.02 0.01 0.00 -2.13 0.00 0.00 31.29 29.92 1u8r h VAL 41 CO 0.15 0.18 -0.31 0.28 -1.23 0.00 0.00 177.57 176.64 1u8r h SER 42 N 0.96 -0.74 -0.63 4.19 0.02 -1.04 0.13 113.55 116.44 1u8r h SER 42 Ca 0.36 -0.01 0.09 0.00 -0.84 0.00 0.00 61.79 61.40 1u8r h SER 42 Cb 0.20 0.19 -0.07 0.00 0.14 0.00 0.00 62.40 62.86 1u8r h SER 42 CO -0.13 -0.45 0.26 -0.61 -1.14 0.00 0.00 176.83 174.76 1u8r h GLN 43 N -1.01 0.44 -0.68 3.45 4.15 -0.75 -1.55 115.11 119.16 1u8r h GLN 43 Ca -0.09 -0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.27 1u8r h GLN 43 Cb 0.71 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 28.27 1u8r h GLN 43 CO 0.15 0.29 0.31 1.15 -1.93 0.00 0.00 178.83 178.79 1u8r h THR 44 N 0.45 1.23 -0.72 2.39 2.02 -0.97 -2.34 112.91 114.97 1u8r h THR 44 Ca 0.32 -0.69 0.05 0.00 0.77 0.00 0.00 66.41 66.86 1u8r h THR 44 Cb 0.38 0.42 -0.05 0.00 -1.74 0.00 0.00 68.15 67.16 1u8r h THR 44 CO -0.30 0.28 0.43 0.58 0.37 0.00 0.00 175.52 176.89 1u8r h VAL 45 N 0.95 1.04 0.09 3.16 2.07 0.19 -1.40 116.25 122.35 1u8r h VAL 45 Ca 0.23 -0.28 0.02 0.00 0.82 0.00 0.00 66.70 67.49 1u8r h VAL 45 Cb 0.15 0.15 -0.04 0.00 -1.52 0.00 0.00 31.29 30.03 1u8r h VAL 45 CO -0.03 0.15 -0.27 0.28 0.02 0.00 0.00 177.57 177.72 1u8r h SER 46 N 0.82 -0.79 -1.00 0.57 0.02 -0.82 0.73 113.55 113.08 1u8r h SER 46 Ca 0.31 0.10 0.22 0.00 -0.84 0.00 0.00 61.79 61.57 1u8r h SER 46 Cb 0.11 0.30 -0.10 0.00 0.14 0.00 0.00 62.40 62.85 1u8r h SER 46 CO -0.15 -0.36 0.62 0.03 -1.14 0.00 0.00 176.83 175.84 1u8r h ARG 47 N -0.47 0.57 -0.19 3.45 3.08 -1.00 0.61 114.38 120.44 1u8r h ARG 47 Ca 0.04 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 1u8r h ARG 47 Cb 0.51 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.43 1u8r h ARG 47 CO -0.18 0.38 -0.11 0.52 -1.07 0.00 0.00 179.97 179.51 1u8r h MET 48 N 0.59 0.40 -0.54 0.04 2.86 0.27 -2.49 114.93 116.05 1u8r h MET 48 Ca 0.57 -0.19 -0.02 0.00 -2.06 0.00 0.00 59.70 58.01 1u8r h MET 48 Cb 1.14 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.77 1u8r h MET 48 CO -0.34 0.72 0.27 1.49 1.06 0.00 0.00 176.91 180.11 1u8r h GLU 49 N 0.08 0.78 -0.10 1.72 4.81 0.27 -1.38 114.58 120.76 1u8r h GLU 49 Ca 0.04 -0.11 0.03 0.00 -0.13 0.00 0.00 59.36 59.19 1u8r h GLU 49 Cb 0.61 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.85 1u8r h GLU 49 CO 0.03 0.63 0.11 -0.09 -0.73 0.00 0.00 179.01 178.95 1u8r h ARG 50 N 0.73 0.00 -0.55 1.92 2.43 0.14 0.91 114.38 119.97 1u8r h ARG 50 Ca 0.19 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 1u8r h ARG 50 Cb 0.10 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 1u8r h ARG 50 CO -0.03 0.00 0.00 -0.25 -1.51 0.00 0.00 179.97 178.18 1u8r n ASP 51 N -3.87 4.61 -3.59 -3.80 8.00 -0.59 -4.97 116.55 112.34 1u8r n ASP 51 Ca -0.01 -2.57 -0.21 0.00 0.71 0.00 0.00 54.79 52.72 1u8r n ASP 51 Cb 0.21 -0.56 0.06 0.00 -0.02 0.00 0.00 41.12 40.82 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 0.73 -0.38 0.06 0.44 0.00 0.32 -4.91 105.19 101.44 1u8r n GLY 52 Ca 0.24 0.14 -0.04 0.00 0.00 0.00 0.00 46.02 46.37 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 -4.38 0.00 -3.93 0.99 4.77 -0.80 -4.27 117.00 109.38 1u8r n LEU 53 Ca -0.21 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.67 1u8r n LEU 53 Cb 0.64 0.28 -0.02 0.00 -2.33 0.00 0.00 43.42 41.99 1u8r n LEU 53 CO 0.65 0.28 0.35 -1.48 -1.33 0.00 0.00 177.39 175.86 1u8r s LEU 54 N -4.84 0.25 -0.03 2.23 0.05 -1.26 -1.73 118.68 113.35 1u8r s LEU 54 Ca -0.07 -1.06 -0.03 0.00 0.05 0.00 0.00 54.13 53.02 1u8r s LEU 54 Cb 0.06 2.25 0.01 0.00 -2.05 0.00 0.00 46.19 46.46 1u8r s LEU 54 CO 0.61 -1.40 0.09 -0.13 -0.55 0.00 0.00 176.35 174.96 1u8r s ARG 55 N -3.22 0.10 -0.34 1.48 0.52 0.10 -4.29 118.95 113.29 1u8r s ARG 55 Ca 0.20 0.12 -0.19 0.00 -0.52 0.00 0.00 55.73 55.34 1u8r s ARG 55 Cb -0.03 0.04 -0.00 0.00 0.52 0.00 0.00 34.95 35.48 1u8r s ARG 55 CO 0.12 -0.02 0.56 0.08 0.02 0.00 0.00 175.30 176.06 1u8r s VAL 56 N 0.08 4.97 0.90 3.52 1.01 -1.26 -1.09 120.40 128.53 1u8r s VAL 56 Ca -0.00 0.48 -0.15 0.00 0.00 0.00 0.00 61.98 62.31 1u8r s VAL 56 Cb -0.01 -3.99 0.22 0.00 0.00 0.00 0.00 36.38 32.60 1u8r s VAL 56 CO -0.00 -0.22 0.81 0.00 0.00 0.00 0.00 175.10 175.69 1u8r n ALA 57 N 5.83 -2.47 -0.20 5.51 0.00 -0.62 -4.85 120.51 123.72 1u8r n ALA 57 Ca -0.03 -1.21 -0.08 0.00 0.00 0.00 0.00 53.44 52.12 1u8r n ALA 57 Cb 0.49 -0.08 0.02 0.00 0.00 0.00 0.00 19.45 19.88 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 -2.10 0.93 0.77 0.00 0.00 -1.97 -1.71 103.07 99.00 1u8r h GLY 58 Ca -0.30 -0.54 0.00 0.00 0.00 0.00 0.00 47.33 46.48 1u8r h GLY 58 CO 0.20 0.51 0.00 2.09 0.00 0.00 0.00 176.54 179.34 1u8r n ASP 59 N -4.45 0.00 -0.01 0.19 5.68 -1.26 -4.87 116.55 111.83 1u8r n ASP 59 Ca 0.03 -1.17 -0.00 0.00 -0.50 0.00 0.00 54.79 53.15 1u8r n ASP 59 Cb 0.20 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 40.18 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 -0.89 -0.03 -3.18 0.11 1.74 -0.64 -5.05 116.66 108.72 1u8r n ARG 60 Ca 0.18 0.16 -0.33 0.00 -0.77 0.00 0.00 57.85 57.09 1u8r n ARG 60 Cb 0.08 -3.33 -0.06 0.00 -1.02 0.00 0.00 32.46 28.13 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 -1.99 3.40 -0.04 -1.55 -3.43 -1.26 -4.59 115.29 105.82 1u8r s HIS 61 Ca 0.00 1.17 -0.26 0.00 -0.80 0.00 0.00 55.06 55.17 1u8r s HIS 61 Cb 0.00 -2.49 -0.03 0.00 -1.43 0.00 0.00 32.58 28.62 1u8r s HIS 61 CO 0.00 0.14 0.80 -0.51 -2.00 0.00 0.00 174.74 173.16 1u8r s LEU 62 N -2.89 4.34 -0.22 5.38 1.43 0.19 -1.58 118.68 125.32 1u8r s LEU 62 Ca 0.52 1.35 -0.01 0.00 -1.03 0.00 0.00 54.13 54.97 1u8r s LEU 62 Cb -0.11 -3.25 0.02 0.00 0.03 0.00 0.00 46.19 42.88 1u8r s LEU 62 CO 0.18 -0.16 -0.12 -0.70 0.23 0.00 0.00 176.35 175.78 1u8r s GLU 63 N 0.87 2.96 0.13 1.70 2.56 -0.25 -4.77 118.70 121.90 1u8r s GLU 63 Ca 0.42 -0.88 -0.30 0.00 0.00 0.00 0.00 54.97 54.21 1u8r s GLU 63 Cb -0.19 -2.82 -0.07 0.00 2.00 0.00 0.00 34.13 33.05 1u8r s GLU 63 CO 0.21 -0.30 1.22 -0.51 -0.56 0.00 0.00 175.26 175.33 1u8r s LEU 64 N 1.32 4.41 0.99 2.70 1.43 -1.26 -0.73 118.68 127.54 1u8r s LEU 64 Ca 0.02 2.15 -0.15 0.00 -1.03 0.00 0.00 54.13 55.13 1u8r s LEU 64 Cb -0.15 -3.59 0.19 0.00 0.03 0.00 0.00 46.19 42.66 1u8r s LEU 64 CO -0.08 -0.44 1.19 0.42 0.23 0.00 0.00 176.35 177.67 1u8r s THR 65 N 0.52 1.91 0.17 5.49 -4.23 -0.70 -4.67 115.64 114.13 1u8r s THR 65 Ca 0.56 0.00 -0.22 0.00 -1.18 0.00 0.00 61.69 60.85 1u8r s THR 65 Cb -0.32 -2.78 0.07 0.00 1.34 0.00 0.00 72.50 70.81 1u8r s THR 65 CO 0.33 0.00 1.60 -0.08 -0.54 0.00 0.00 174.62 175.93 1u8r h GLU 66 N -1.76 -0.23 -0.03 3.99 4.57 -1.88 -0.31 114.58 118.92 1u8r h GLU 66 Ca -0.47 0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 57.72 1u8r h GLU 66 Cb 1.29 0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.93 1u8r h GLU 66 CO 0.49 -0.15 0.01 -0.22 -1.18 0.00 0.00 179.01 177.96 1u8r h LYS 67 N -0.23 0.06 -0.96 1.92 3.64 -1.90 -2.88 116.57 116.21 1u8r h LYS 67 Ca 0.18 -0.01 0.12 0.00 -1.27 0.00 0.00 60.65 59.67 1u8r h LYS 67 Cb 0.53 -0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.27 1u8r h LYS 67 CO -0.55 0.26 0.61 0.78 -2.27 0.00 0.00 179.45 178.28 1u8r h GLY 68 N -0.16 1.50 0.94 5.01 0.00 -1.47 -2.14 103.07 106.75 1u8r h GLY 68 Ca 0.01 -0.39 -0.12 0.00 0.00 0.00 0.00 47.33 46.83 1u8r h GLY 68 CO 0.00 0.15 -0.32 -0.09 0.00 0.00 0.00 176.54 176.29 1u8r h ARG 69 N 0.92 0.65 -0.37 4.80 2.43 -1.05 -1.78 114.38 119.98 1u8r h ARG 69 Ca 0.47 -0.37 0.07 0.00 -0.81 0.00 0.00 59.98 59.35 1u8r h ARG 69 Cb 0.52 0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 30.04 1u8r h ARG 69 CO -0.24 0.98 -0.05 0.00 -1.51 0.00 0.00 179.97 179.15 1u8r h ALA 70 N 0.66 0.29 -0.38 2.80 0.00 -1.18 0.43 119.26 121.88 1u8r h ALA 70 Ca 0.03 0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1u8r h ALA 70 Cb 0.90 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1u8r h ALA 70 CO 0.08 -0.43 0.10 1.25 0.00 0.00 0.00 179.25 180.25 1u8r h LEU 71 N 0.05 0.57 -0.24 0.00 6.46 -1.45 -1.93 115.31 118.77 1u8r h LEU 71 Ca 0.18 -0.22 0.06 0.00 -0.12 0.00 0.00 57.88 57.78 1u8r h LEU 71 Cb 0.26 -0.15 -0.06 0.00 -0.73 0.00 0.00 40.66 39.98 1u8r h LEU 71 CO -0.34 0.64 -0.17 0.00 -0.62 0.00 0.00 178.44 177.95 1u8r h ALA 72 N 0.95 0.01 -0.08 1.25 0.00 -0.54 -0.77 119.26 120.09 1u8r h ALA 72 Ca 0.12 0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.15 1u8r h ALA 72 Cb 0.28 0.37 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 1u8r h ALA 72 CO -0.00 -0.58 -0.14 0.82 0.00 0.00 0.00 179.25 179.35 1u8r h ILE 73 N -0.15 0.63 -0.81 0.00 2.04 -0.80 -1.21 117.51 117.21 1u8r h ILE 73 Ca 0.14 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.19 1u8r h ILE 73 Cb 0.36 0.63 -0.14 0.00 -0.74 0.00 0.00 36.82 36.93 1u8r h ILE 73 CO -0.34 0.00 0.10 0.00 0.00 0.00 0.00 178.15 177.91 1u8r h ALA 74 N 0.82 0.98 -0.24 1.87 0.00 -0.48 0.40 119.26 122.61 1u8r h ALA 74 Ca 0.07 0.23 -0.05 0.00 0.00 0.00 0.00 54.91 55.17 1u8r h ALA 74 Cb 0.30 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1u8r h ALA 74 CO -0.20 -0.43 -0.03 0.28 0.00 0.00 0.00 179.25 178.87 1u8r h VAL 75 N 0.15 1.27 -0.77 0.00 2.07 -0.42 -2.51 116.25 116.05 1u8r h VAL 75 Ca 0.47 -1.00 0.03 0.00 0.82 0.00 0.00 66.70 67.02 1u8r h VAL 75 Cb 0.87 1.45 -0.04 0.00 -1.52 0.00 0.00 31.29 32.05 1u8r h VAL 75 CO -0.66 0.31 0.51 -0.03 0.02 0.00 0.00 177.57 177.72 1u8r h MET 76 N 0.19 0.93 -0.31 1.57 -1.53 0.33 0.16 114.93 116.27 1u8r h MET 76 Ca 0.06 -0.06 -0.01 0.00 -3.44 0.00 0.00 59.70 56.26 1u8r h MET 76 Cb 0.48 -0.21 -0.01 0.00 -0.55 0.00 0.00 31.60 31.30 1u8r h MET 76 CO 0.02 0.61 0.16 -0.09 0.14 0.00 0.00 176.91 177.75 1u8r h ARG 77 N 0.95 0.43 -0.04 0.39 2.43 -0.16 -1.92 114.38 116.47 1u8r h ARG 77 Ca 0.30 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.41 1u8r h ARG 77 Cb 0.02 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.49 1u8r h ARG 77 CO -0.08 0.38 0.00 0.87 -1.51 0.00 0.00 179.97 179.63 1u8r h LYS 78 N 0.37 0.07 -0.68 0.20 1.57 -0.98 -1.36 116.57 115.76 1u8r h LYS 78 Ca 0.11 -0.02 0.14 0.00 -1.87 0.00 0.00 60.65 59.01 1u8r h LYS 78 Cb 0.08 -0.01 -0.13 0.00 0.08 0.00 0.00 32.23 32.26 1u8r h LYS 78 CO -0.02 0.34 -0.14 1.25 -0.57 0.00 0.00 179.45 180.31 1u8r h HIS 79 N -0.21 -0.31 -0.11 -1.35 2.76 -0.54 -0.24 115.15 115.15 1u8r h HIS 79 Ca 0.01 0.06 -0.19 0.00 -2.20 0.00 0.00 60.37 58.05 1u8r h HIS 79 Cb 0.31 0.24 0.01 0.00 1.55 0.00 0.00 27.41 29.52 1u8r h HIS 79 CO 0.03 -0.28 -0.69 0.00 -1.30 0.00 0.00 177.93 175.69 1u8r h ARG 80 N 0.02 0.66 -0.77 5.26 3.08 -1.28 -2.13 114.38 119.22 1u8r h ARG 80 Ca 0.33 -0.56 0.06 0.00 0.07 0.00 0.00 59.98 59.88 1u8r h ARG 80 Cb 0.52 0.12 -0.05 0.00 0.08 0.00 0.00 29.97 30.65 1u8r h ARG 80 CO -0.68 1.18 0.50 -0.07 -1.07 0.00 0.00 179.97 179.83 1u8r h LEU 81 N 0.33 0.75 0.10 3.04 3.38 -0.85 -0.97 115.31 121.09 1u8r h LEU 81 Ca -0.05 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1u8r h LEU 81 Cb 1.33 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1u8r h LEU 81 CO 0.14 0.49 -0.05 0.00 0.09 0.00 0.00 178.44 179.11 1u8r h ALA 82 N 1.58 -0.14 -0.86 1.53 0.00 -0.95 -1.23 119.26 119.18 1u8r h ALA 82 Ca 0.33 -0.14 0.16 0.00 0.00 0.00 0.00 54.91 55.26 1u8r h ALA 82 Cb 0.20 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.97 1u8r h ALA 82 CO -0.11 -0.45 0.56 0.93 0.00 0.00 0.00 179.25 180.18 1u8r h GLU 83 N -0.39 0.53 0.96 0.00 5.08 -0.68 0.28 114.58 120.36 1u8r h GLU 83 Ca -0.01 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.27 1u8r h GLU 83 Cb 0.32 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 29.46 1u8r h GLU 83 CO 0.02 0.35 -0.46 0.00 -1.00 0.00 0.00 179.01 177.92 1u8r h ARG 84 N 0.55 -1.25 -0.93 2.33 2.47 -0.74 -2.02 114.38 114.79 1u8r h ARG 84 Ca 0.43 0.09 0.12 0.00 -1.26 0.00 0.00 59.98 59.36 1u8r h ARG 84 Cb 0.87 0.28 -0.08 0.00 -1.65 0.00 0.00 29.97 29.39 1u8r h ARG 84 CO -0.18 -0.83 0.56 1.25 0.56 0.00 0.00 179.97 181.32 1u8r h LEU 85 N -1.34 0.79 -0.55 3.04 5.85 -0.00 -0.15 115.31 122.95 1u8r h LEU 85 Ca -0.13 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.62 1u8r h LEU 85 Cb 0.99 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 1u8r h LEU 85 CO 0.22 0.42 0.24 -0.07 -0.34 0.00 0.00 178.44 178.91 1u8r h LEU 86 N 0.88 0.73 0.08 2.25 3.38 -0.40 -1.36 115.31 120.86 1u8r h LEU 86 Ca 0.46 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 58.28 1u8r h LEU 86 Cb 0.48 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1u8r h LEU 86 CO -0.28 0.68 -0.04 0.58 0.09 0.00 0.00 178.44 179.47 1u8r h VAL 87 N 0.74 0.95 0.66 1.22 2.07 -0.77 0.28 116.25 121.39 1u8r h VAL 87 Ca 0.18 -1.45 -0.03 0.00 0.82 0.00 0.00 66.70 66.23 1u8r h VAL 87 Cb 0.16 1.70 0.01 0.00 -1.52 0.00 0.00 31.29 31.63 1u8r h VAL 87 CO -0.02 0.29 -0.31 0.44 0.02 0.00 0.00 177.57 177.98 1u8r h ASP 88 N -0.92 -0.75 0.00 0.57 3.32 -1.14 -3.21 116.42 114.29 1u8r h ASP 88 Ca -0.01 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1u8r h ASP 88 Cb 0.55 0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.29 1u8r h ASP 88 CO 0.02 -0.37 -0.30 0.58 -1.72 0.00 0.00 179.24 177.44 1u8r h VAL 89 N -1.17 0.00 -0.41 -1.35 2.07 -1.65 -3.38 116.25 110.35 1u8r h VAL 89 Ca -0.09 -0.96 -0.00 0.00 0.82 0.00 0.00 66.70 66.46 1u8r h VAL 89 Cb 0.70 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 1u8r h VAL 89 CO 0.15 0.00 0.25 0.40 0.02 0.00 0.00 177.57 178.38 1u8r h ILE 90 N -0.96 1.12 -0.10 4.57 1.08 -1.32 -3.47 117.51 118.43 1u8r h ILE 90 Ca 0.00 -0.27 -0.01 0.00 -0.39 0.00 0.00 64.86 64.19 1u8r h ILE 90 Cb 0.30 0.54 -0.00 0.00 -3.07 0.00 0.00 36.82 34.59 1u8r h ILE 90 CO 0.00 0.12 -0.02 0.61 -0.69 0.00 0.00 178.15 178.18 1u8r n GLY 91 N -1.40 0.35 3.73 5.37 0.00 0.16 -5.00 105.19 108.38 1u8r n GLY 91 Ca 0.03 -0.87 -0.41 0.00 0.00 0.00 0.00 46.02 44.76 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 -0.21 4.47 0.29 0.99 2.96 0.75 -4.97 118.68 122.96 1u8r s LEU 92 Ca 0.00 1.75 -0.28 0.00 -0.22 0.00 0.00 54.13 55.38 1u8r s LEU 92 Cb 0.00 -3.57 -0.14 0.00 0.50 0.00 0.00 46.19 42.98 1u8r s LEU 92 CO 0.00 -0.10 0.90 -0.81 -1.32 0.00 0.00 176.35 175.02 1u8r n PRO 93 N 3.01 1.08 -0.23 0.98 -0.04 -1.26 -4.30 135.00 134.24 1u8r n PRO 93 Ca 0.03 0.38 -0.11 0.00 -0.04 0.00 0.00 63.50 63.76 1u8r n PRO 93 Cb 0.50 -1.69 -0.08 0.00 -0.04 0.00 0.00 33.50 32.19 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 1.74 -1.60 0.00 0.54 7.01 -1.97 -1.64 115.95 120.03 1u8r h TRP 94 Ca -0.38 0.09 0.00 0.00 2.11 0.00 0.00 58.89 60.72 1u8r h TRP 94 Cb 1.36 0.78 0.00 0.00 -2.10 0.00 0.00 29.16 29.20 1u8r h TRP 94 CO 0.46 -0.44 0.00 -0.85 -2.79 0.00 0.00 178.44 174.82 1u8r n GLU 95 N -5.36 0.60 0.00 2.65 0.00 -1.26 -2.67 120.64 114.60 1u8r n GLU 95 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1u8r n GLU 95 Cb 0.33 -1.27 0.00 0.00 0.00 0.00 0.00 31.44 30.50 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 0.37 3.55 -0.10 3.44 1.02 -0.63 -4.85 120.64 123.43 1u8r n GLU 96 Ca 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.10 1u8r n GLU 96 Cb 0.20 -0.69 0.18 0.00 -0.02 0.00 0.00 31.44 31.11 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 1.24 -0.03 2.62 -1.51 -1.36 -3.10 116.25 114.11 1u8r h VAL 97 Ca 0.00 -0.96 0.01 0.00 -1.23 0.00 0.00 66.70 64.52 1u8r h VAL 97 Cb 0.03 0.86 -0.01 0.00 -2.13 0.00 0.00 31.29 30.04 1u8r h VAL 97 CO 0.00 0.34 -0.03 -0.74 -1.23 0.00 0.00 177.57 175.90 1u8r h HIS 98 N 0.72 -0.08 -0.73 5.19 -0.00 -1.89 0.16 115.15 118.53 1u8r h HIS 98 Ca 0.15 0.01 0.01 0.00 -0.00 0.00 0.00 60.37 60.53 1u8r h HIS 98 Cb 0.42 0.04 -0.04 0.00 -0.00 0.00 0.00 27.41 27.83 1u8r h HIS 98 CO 0.02 -0.06 0.48 0.00 -0.00 0.00 0.00 177.93 178.38 1u8r h ALA 99 N 0.98 1.51 0.02 5.26 0.00 -1.89 0.12 119.26 125.25 1u8r h ALA 99 Ca 0.03 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1u8r h ALA 99 Cb 0.08 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1u8r h ALA 99 CO -0.06 0.45 -0.01 1.49 0.00 0.00 0.00 179.25 181.12 1u8r h GLU 100 N 0.96 -0.02 -0.14 0.00 4.57 -1.40 -3.08 114.58 115.46 1u8r h GLU 100 Ca 0.27 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.43 1u8r h GLU 100 Cb -0.07 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.52 1u8r h GLU 100 CO -0.07 0.40 -0.03 0.00 -1.18 0.00 0.00 179.01 178.13 1u8r h ALA 101 N 0.52 1.68 0.00 2.92 0.00 -0.55 -0.97 119.26 122.87 1u8r h ALA 101 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1u8r h ALA 101 Cb 0.43 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1u8r h ALA 101 CO 0.00 0.24 0.01 0.00 0.00 0.00 0.00 179.25 179.51 1u8r n ARG 103 N -2.02 0.49 0.26 0.00 1.74 -0.43 -4.48 116.66 112.22 1u8r n ARG 103 Ca -0.01 0.14 0.13 0.00 -0.77 0.00 0.00 57.85 57.34 1u8r n ARG 103 Cb 0.04 -1.36 0.72 0.00 -1.02 0.00 0.00 32.46 30.84 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 -0.22 0.00 0.00 -1.55 4.06 -0.75 -2.47 115.95 115.03 1u8r h TRP 104 Ca -0.47 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.48 1u8r h TRP 104 Cb 1.63 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.79 1u8r h TRP 104 CO -0.00 0.12 0.00 1.05 -3.56 0.00 0.00 178.44 176.05 1u8r h GLU 105 N 0.00 0.00 -0.34 0.49 4.11 -0.98 -1.80 114.58 116.05 1u8r h GLU 105 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1u8r h GLU 105 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1u8r h GLU 105 CO 0.02 0.00 0.00 0.72 0.07 0.00 0.00 179.01 179.82 1u8r n HIS 106 N -3.05 0.44 0.00 2.06 8.25 -0.93 -4.49 115.22 117.49 1u8r n HIS 106 Ca -0.03 -0.22 0.00 0.00 -0.26 0.00 0.00 57.72 57.21 1u8r n HIS 106 Cb 0.10 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.21 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 1.38 0.00 -1.97 1.59 0.24 -0.73 -5.01 118.33 113.83 1u8r n VAL 107 Ca 0.19 -0.11 -0.42 0.00 -2.04 0.00 0.00 64.34 61.95 1u8r n VAL 107 Cb 0.58 0.89 -0.03 0.00 -1.47 0.00 0.00 33.84 33.81 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 -0.29 4.18 0.80 7.34 -1.94 -0.85 -4.99 119.30 123.55 1u8r s MET 108 Ca 0.00 2.24 -0.11 0.00 -1.71 0.00 0.00 55.69 56.11 1u8r s MET 108 Cb 0.00 -3.94 0.07 0.00 2.01 0.00 0.00 34.83 32.97 1u8r s MET 108 CO 0.00 -0.83 1.09 -1.54 -0.01 0.00 0.00 175.02 173.73 1u8r s SER 109 N 3.27 4.33 0.46 3.03 1.04 -1.26 -4.92 113.70 119.65 1u8r s SER 109 Ca 0.75 1.71 0.23 0.00 0.48 0.00 0.00 55.95 59.11 1u8r s SER 109 Cb -0.35 -2.42 1.11 0.00 0.10 0.00 0.00 66.02 64.46 1u8r s SER 109 CO 0.31 -2.13 1.94 -0.08 0.98 0.00 0.00 173.24 174.26 1u8r h GLU 110 N -1.19 0.00 0.21 4.02 4.81 -2.00 -2.85 114.58 117.57 1u8r h GLU 110 Ca -0.45 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.77 1u8r h GLU 110 Cb 1.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.62 1u8r h GLU 110 CO 0.53 0.22 -0.10 -0.44 -0.73 0.00 0.00 179.01 178.49 1u8r h ASP 111 N 0.00 -0.23 -0.43 1.04 3.45 -2.00 -2.76 116.42 115.48 1u8r h ASP 111 Ca -0.00 -0.27 0.12 0.00 0.43 0.00 0.00 57.03 57.32 1u8r h ASP 111 Cb 0.54 0.06 -0.02 0.00 -0.56 0.00 0.00 39.33 39.35 1u8r h ASP 111 CO 0.03 0.18 0.41 0.58 -1.57 0.00 0.00 179.24 178.87 1u8r h VAL 112 N -0.70 0.46 0.48 -1.35 2.07 -1.90 -1.55 116.25 113.76 1u8r h VAL 112 Ca -0.03 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.47 1u8r h VAL 112 Cb 0.49 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1u8r h VAL 112 CO 0.05 0.00 -0.23 -0.33 0.02 0.00 0.00 177.57 177.08 1u8r h GLU 113 N 0.00 -0.62 -0.75 1.57 5.08 -1.28 -1.53 114.58 117.04 1u8r h GLU 113 Ca 0.20 0.04 0.13 0.00 -1.00 0.00 0.00 59.36 58.73 1u8r h GLU 113 Cb 1.02 0.14 -0.13 0.00 0.50 0.00 0.00 28.75 30.28 1u8r h GLU 113 CO -0.00 -0.42 -0.35 0.00 -1.00 0.00 0.00 179.01 177.25 1u8r h ARG 114 N -0.84 -0.09 0.00 2.33 3.08 -1.04 0.47 114.38 118.28 1u8r h ARG 114 Ca -0.07 0.01 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 1u8r h ARG 114 Cb 0.50 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.57 1u8r h ARG 114 CO 0.11 -0.06 -0.02 0.00 -1.07 0.00 0.00 179.97 178.93 1u8r h ARG 115 N -0.10 0.00 0.00 0.04 3.08 -1.35 -0.95 114.38 115.10 1u8r h ARG 115 Ca 0.28 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.24 1u8r h ARG 115 Cb 0.57 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.61 1u8r h ARG 115 CO -0.80 0.02 -0.43 -0.07 -1.07 0.00 0.00 179.97 177.62 1u8r h LEU 116 N 0.00 0.00 0.26 3.04 3.38 0.97 -2.08 115.31 120.88 1u8r h LEU 116 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1u8r h LEU 116 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1u8r h LEU 116 CO 0.00 0.43 -0.13 0.58 0.09 0.00 0.00 178.44 179.41 1u8r h VAL 117 N 0.00 0.77 -0.29 1.22 2.07 -0.13 -1.17 116.25 118.72 1u8r h VAL 117 Ca -0.00 -0.22 -0.05 0.00 0.82 0.00 0.00 66.70 67.25 1u8r h VAL 117 Cb 0.98 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.63 1u8r h VAL 117 CO 0.06 0.05 -0.03 0.11 0.02 0.00 0.00 177.57 177.78 1u8r h LYS 118 N -0.47 0.45 0.00 1.57 1.79 -1.42 0.76 116.57 119.26 1u8r h LYS 118 Ca -0.04 -0.09 -0.01 0.00 -2.18 0.00 0.00 60.65 58.33 1u8r h LYS 118 Cb 0.35 -0.07 -0.00 0.00 -1.58 0.00 0.00 32.23 30.93 1u8r h LYS 118 CO 0.06 0.50 -0.07 0.28 -1.08 0.00 0.00 179.45 179.14 1u8r h VAL 119 N 0.43 0.14 -0.36 0.50 2.07 -1.18 -3.17 116.25 114.67 1u8r h VAL 119 Ca 0.09 -0.96 0.00 0.00 0.82 0.00 0.00 66.70 66.65 1u8r h VAL 119 Cb 0.33 1.85 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 1u8r h VAL 119 CO 0.01 0.07 0.00 0.18 0.02 0.00 0.00 177.57 177.85 1u8r n LEU 120 N -3.14 2.97 -2.68 2.57 4.77 -0.46 -4.99 117.00 116.04 1u8r n LEU 120 Ca 0.02 -1.90 -0.11 0.00 -0.03 0.00 0.00 56.01 54.00 1u8r n LEU 120 Cb 0.46 -0.24 0.05 0.00 -2.33 0.00 0.00 43.42 41.37 1u8r n LEU 120 CO 0.32 0.73 0.05 0.59 -1.33 0.00 0.00 177.39 177.75 1u8r n ASN 121 N 0.68 -3.76 -3.87 -1.43 5.03 -0.79 -3.86 115.26 107.25 1u8r n ASN 121 Ca 0.13 -0.46 -0.27 0.00 0.87 0.00 0.00 54.58 54.85 1u8r n ASN 121 Cb 0.44 -3.71 -0.00 0.00 -1.02 0.00 0.00 39.78 35.49 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 -2.58 -1.47 -4.44 6.41 3.02 0.20 -4.91 115.26 111.48 1u8r n ASN 122 Ca -0.12 -1.00 -0.31 0.00 -0.03 0.00 0.00 54.58 53.13 1u8r n ASN 122 Cb 0.60 -3.20 0.19 0.00 -0.61 0.00 0.00 39.78 36.76 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 -4.36 -1.48 0.00 3.52 -0.04 -1.25 -4.95 135.00 126.45 1u8r n PRO 123 Ca -0.26 -0.40 0.00 0.00 -0.04 0.00 0.00 63.50 62.80 1u8r n PRO 123 Cb 0.66 -2.02 0.00 0.00 -0.04 0.00 0.00 33.50 32.10 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 -4.45 0.00 -4.13 0.52 -2.24 -1.26 -4.95 114.28 97.77 1u8r n THR 124 Ca 0.05 -0.12 -0.15 0.00 -2.27 0.00 0.00 64.05 61.55 1u8r n THR 124 Cb 0.56 1.64 -0.05 0.00 -2.10 0.00 0.00 70.33 70.38 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 -0.04 0.00 0.48 4.28 -4.23 -1.26 -1.24 115.64 113.63 1u8r s THR 125 Ca 0.00 -1.68 0.08 0.00 -1.18 0.00 0.00 61.69 58.91 1u8r s THR 125 Cb 0.00 -2.60 0.02 0.00 1.34 0.00 0.00 72.50 71.26 1u8r s THR 125 CO 0.00 0.00 0.53 -0.94 -0.54 0.00 0.00 174.62 173.67 1u8r s SER 126 N -3.26 5.12 0.00 3.99 1.04 -0.38 -4.80 113.70 115.42 1u8r s SER 126 Ca 0.32 -0.79 0.05 0.00 0.48 0.00 0.00 55.95 56.02 1u8r s SER 126 Cb 0.00 -0.19 0.33 0.00 0.10 0.00 0.00 66.02 66.26 1u8r s SER 126 CO 0.21 -0.94 0.71 -2.65 0.98 0.00 0.00 173.24 171.55 1u8r n PRO 127 N -1.83 0.28 0.00 4.02 -0.02 -1.26 -1.07 135.00 135.11 1u8r n PRO 127 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 1u8r n PRO 127 Cb 0.62 -1.30 0.00 0.00 -0.02 0.00 0.00 33.50 32.79 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 -0.80 0.00 -0.00 6.00 3.01 -1.26 -4.92 117.46 119.48 1u8r n PHE 128 Ca 0.04 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.50 1u8r n PHE 128 Cb 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.49 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 0.22 0.17 3.74 1.37 0.00 -0.24 -1.98 105.19 108.48 1u8r n GLY 129 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.13 7.49 0.54 1.61 -0.87 -1.26 -4.67 114.94 115.64 1u8r s ASN 130 Ca 0.00 1.95 -0.21 0.00 -1.57 0.00 0.00 52.86 53.03 1u8r s ASN 130 Cb 0.00 -2.60 -0.05 0.00 -0.02 0.00 0.00 41.25 38.58 1u8r s ASN 130 CO 0.00 -0.02 1.28 -2.16 -2.57 0.00 0.00 177.10 173.63 1u8r s PRO 131 N -0.64 3.22 -0.51 -0.60 0.04 -1.26 -1.25 135.00 134.00 1u8r s PRO 131 Ca 0.45 2.05 -0.23 0.00 0.04 0.00 0.00 61.00 63.31 1u8r s PRO 131 Cb -0.26 -2.21 0.04 0.00 0.04 0.00 0.00 34.50 32.10 1u8r s PRO 131 CO 0.33 -1.07 0.84 0.42 0.04 0.00 0.00 177.00 177.55 1u8r s ILE 132 N -1.41 4.55 1.05 0.56 1.01 -0.37 -4.87 121.20 121.72 1u8r s ILE 132 Ca 0.71 0.20 -0.14 0.00 0.00 0.00 0.00 60.65 61.42 1u8r s ILE 132 Cb -0.36 -4.43 0.21 0.00 0.01 0.00 0.00 42.46 37.90 1u8r s ILE 132 CO 0.42 -0.93 1.11 -2.16 0.00 0.00 0.00 174.94 173.37 1u8r s PRO 133 N 3.51 0.00 -0.93 2.79 0.04 -1.26 -4.17 135.00 134.98 1u8r s PRO 133 Ca 0.28 0.27 -0.10 0.00 0.04 0.00 0.00 61.00 61.49 1u8r s PRO 133 Cb -0.13 -1.71 0.10 0.00 0.04 0.00 0.00 34.50 32.79 1u8r s PRO 133 CO 0.19 -2.97 0.30 0.41 0.04 0.00 0.00 177.00 174.98 1u8r n GLY 134 N -1.28 -0.46 0.16 0.56 0.00 -1.26 -4.61 105.19 98.31 1u8r n GLY 134 Ca 0.08 0.04 0.02 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.48 0.00 0.14 0.99 3.38 -1.96 -2.95 115.31 114.43 1u8r h LEU 135 Ca -0.30 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.36 1u8r h LEU 135 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1u8r h LEU 135 CO 0.43 0.49 -1.49 -2.24 0.09 0.00 0.00 178.44 175.71 1u8r h ASP 136 N 0.00 0.47 0.34 -0.43 2.03 -1.88 -2.80 116.42 114.16 1u8r h ASP 136 Ca -0.00 -0.60 -0.00 0.00 -0.73 0.00 0.00 57.03 55.69 1u8r h ASP 136 Cb 0.97 -0.15 -0.00 0.00 -0.83 0.00 0.00 39.33 39.31 1u8r h ASP 136 CO 0.06 1.49 -0.02 -0.33 -1.03 0.00 0.00 179.24 179.41 1u8r h GLU 137 N 0.08 0.00 0.02 4.15 3.07 -1.90 -0.98 114.58 119.02 1u8r h GLU 137 Ca -0.23 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 58.55 1u8r h GLU 137 Cb 2.03 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 29.95 1u8r h GLU 137 CO 0.18 0.02 -0.33 1.25 -1.40 0.00 0.00 179.01 178.73 1u8r h LEU 138 N 0.00 0.25 0.00 1.33 6.46 -1.47 -3.48 115.31 118.39 1u8r h LEU 138 Ca -0.00 -0.85 0.00 0.00 -0.12 0.00 0.00 57.88 56.91 1u8r h LEU 138 Cb 0.20 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 40.05 1u8r h LEU 138 CO 0.00 1.07 0.00 0.61 -0.62 0.00 0.00 178.44 179.50 1u8r n GLY 139 N 1.26 0.26 0.00 3.75 0.00 -0.37 -5.02 105.19 105.08 1u8r n GLY 139 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.43 1.61 0.24 -1.10 -5.02 118.33 112.63 1u8r n VAL 140 Ca 0.00 0.00 0.19 0.00 -2.04 0.00 0.00 64.34 62.49 1u8r n VAL 140 Cb 0.00 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.31 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 -2.25 0.00 7.63 0.00 -1.26 -4.34 105.19 104.97 1u8r n GLY 141 Ca 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.95 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 -4.21 0.00 -4.59 0.99 7.94 -1.26 -4.93 117.00 110.93 1u8r n LEU 151 Ca -0.02 0.00 -0.27 0.00 -1.11 0.00 0.00 56.01 54.61 1u8r n LEU 151 Cb 0.67 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 44.54 1u8r n LEU 151 CO 0.02 0.00 -0.24 0.68 -1.11 0.00 0.00 177.39 176.74 1u8r s VAL 152 N 0.00 1.03 -0.11 1.96 -7.23 0.30 -4.96 120.40 111.40 1u8r s VAL 152 Ca 0.00 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.17 1u8r s VAL 152 Cb 0.00 -2.44 -0.02 0.00 0.56 0.00 0.00 36.38 34.48 1u8r s VAL 152 CO 0.00 0.00 -0.09 -0.60 -0.31 0.00 0.00 175.10 174.10 1u8r s ARG 153 N -3.80 3.13 0.62 4.82 3.52 -1.26 -0.23 118.95 125.75 1u8r s ARG 153 Ca 0.22 -0.60 0.20 0.00 -0.13 0.00 0.00 55.73 55.41 1u8r s ARG 153 Cb 0.04 -2.65 0.77 0.00 -1.56 0.00 0.00 34.95 31.55 1u8r s ARG 153 CO 0.11 0.42 1.32 -0.07 -0.81 0.00 0.00 175.30 176.28 1u8r h LEU 154 N 6.05 0.00 0.00 -0.88 3.38 -1.45 1.41 115.31 123.82 1u8r h LEU 154 Ca -0.37 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.42 1u8r h LEU 154 Cb 1.19 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.91 1u8r h LEU 154 CO 0.56 0.00 -0.88 0.71 0.09 0.00 0.00 178.44 178.92 1u8r h THR 155 N 0.00 1.31 -0.22 0.22 1.35 -1.86 -3.23 112.91 110.47 1u8r h THR 155 Ca 0.30 -2.89 -0.07 0.00 -0.55 0.00 0.00 66.41 63.20 1u8r h THR 155 Cb 2.35 2.64 -0.04 0.00 -1.73 0.00 0.00 68.15 71.36 1u8r h THR 155 CO -0.00 0.74 0.09 -0.62 -0.25 0.00 0.00 175.52 175.48 1u8r n GLU 156 N -3.27 1.69 -3.92 4.72 1.02 0.48 -4.82 120.64 116.55 1u8r n GLU 156 Ca -0.01 -0.84 -0.35 0.00 -0.02 0.00 0.00 57.16 55.94 1u8r n GLU 156 Cb 0.87 -1.51 -0.13 0.00 -0.02 0.00 0.00 31.44 30.65 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 -0.83 3.24 0.50 -4.62 2.96 -1.22 -4.83 118.68 113.88 1u8r s LEU 157 Ca 0.15 -0.25 -0.23 0.00 -0.22 0.00 0.00 54.13 53.59 1u8r s LEU 157 Cb 0.12 -1.84 -0.07 0.00 0.50 0.00 0.00 46.19 44.90 1u8r s LEU 157 CO 0.04 0.01 1.17 -0.81 -1.32 0.00 0.00 176.35 175.44 1u8r n PRO 158 N 4.61 1.51 -2.13 0.98 -0.04 -1.26 -4.88 135.00 133.79 1u8r n PRO 158 Ca -0.17 0.55 -0.28 0.00 -0.04 0.00 0.00 63.50 63.56 1u8r n PRO 158 Cb 0.51 -2.32 0.18 0.00 -0.04 0.00 0.00 33.50 31.84 1u8r n PRO 158 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1u8r s ALA 159 N -1.31 2.59 0.00 0.55 0.00 -1.26 -4.70 121.76 117.62 1u8r s ALA 159 Ca 0.68 -1.48 0.00 0.00 0.00 0.00 0.00 51.96 51.16 1u8r s ALA 159 Cb -0.47 -2.51 0.00 0.00 0.00 0.00 0.00 23.12 20.14 1u8r s ALA 159 CO 0.53 -2.32 0.00 0.41 0.00 0.00 0.00 175.76 174.38 1u8r n GLY 160 N -3.60 1.21 3.83 0.00 0.00 -1.26 -4.99 105.19 100.38 1u8r n GLY 160 Ca 0.17 -1.01 -0.38 0.00 0.00 0.00 0.00 46.02 44.80 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 6.88 1.03 1.61 0.15 -1.26 -4.84 113.70 113.28 1u8r s SER 161 Ca 0.00 1.05 -0.23 0.00 0.70 0.00 0.00 55.95 57.47 1u8r s SER 161 Cb 0.00 -2.28 -0.09 0.00 -1.71 0.00 0.00 66.02 61.94 1u8r s SER 161 CO 0.00 0.31 -0.92 -2.65 1.20 0.00 0.00 173.24 171.18 1u8r n PRO 162 N 1.82 -0.49 -3.81 5.44 -0.02 -1.26 -4.94 135.00 131.74 1u8r n PRO 162 Ca -0.13 -0.14 -0.12 0.00 -2.02 0.00 0.00 63.50 61.09 1u8r n PRO 162 Cb 0.52 -1.25 -0.12 0.00 -0.02 0.00 0.00 33.50 32.63 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 -2.09 0.00 -0.14 -1.45 1.01 -0.79 -4.95 120.40 111.99 1u8r s VAL 163 Ca 0.43 -0.02 -0.20 0.00 0.00 0.00 0.00 61.98 62.19 1u8r s VAL 163 Cb -0.01 -0.28 -0.03 0.00 0.00 0.00 0.00 36.38 36.06 1u8r s VAL 163 CO 0.68 -0.01 0.58 0.00 0.00 0.00 0.00 175.10 176.35 1u8r s ALA 164 N 0.05 3.48 0.19 5.51 0.00 -1.26 -1.09 121.76 128.63 1u8r s ALA 164 Ca -0.01 -0.17 -0.08 0.00 0.00 0.00 0.00 51.96 51.71 1u8r s ALA 164 Cb -0.02 -2.85 -0.02 0.00 0.00 0.00 0.00 23.12 20.24 1u8r s ALA 164 CO 0.00 -0.27 0.28 0.14 0.00 0.00 0.00 175.76 175.91 1u8r s VAL 165 N 1.24 0.04 -0.20 0.00 -7.23 0.12 -2.75 120.40 111.61 1u8r s VAL 165 Ca 0.29 -1.57 0.01 0.00 -1.81 0.00 0.00 61.98 58.91 1u8r s VAL 165 Cb -0.16 -2.09 0.03 0.00 0.56 0.00 0.00 36.38 34.72 1u8r s VAL 165 CO 0.12 -0.18 -0.16 0.54 -0.31 0.00 0.00 175.10 175.11 1u8r s VAL 166 N -4.03 1.97 -0.13 1.32 0.11 -0.66 -1.06 120.40 117.92 1u8r s VAL 166 Ca 0.24 -1.06 -0.37 0.00 -2.93 0.00 0.00 61.98 57.86 1u8r s VAL 166 Cb 0.03 -1.88 -0.14 0.00 -1.53 0.00 0.00 36.38 32.86 1u8r s VAL 166 CO 0.05 0.36 1.75 0.52 -3.33 0.00 0.00 175.10 174.45 1u8r n VAL 167 N 4.61 0.37 -0.07 2.04 0.31 -0.97 -2.25 118.33 122.37 1u8r n VAL 167 Ca -0.18 -0.07 -0.09 0.00 -0.01 0.00 0.00 64.34 63.99 1u8r n VAL 167 Cb 0.48 -1.49 -0.06 0.00 -0.91 0.00 0.00 33.84 31.86 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 5.48 0.32 -4.05 5.55 5.12 -0.35 -0.90 116.66 127.83 1u8r n ARG 168 Ca 0.23 0.08 -0.12 0.00 -1.93 0.00 0.00 57.85 56.11 1u8r n ARG 168 Cb 0.22 -1.24 -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 -2.26 0.50 -0.42 5.56 -0.21 -0.50 -4.50 119.66 117.83 1u8r s GLN 169 Ca -0.18 -0.77 0.02 0.00 0.02 0.00 0.00 55.36 54.46 1u8r s GLN 169 Cb 0.05 -0.18 0.15 0.00 1.00 0.00 0.00 33.01 34.02 1u8r s GLN 169 CO 0.30 0.02 0.26 -0.51 -2.12 0.00 0.00 175.29 173.24 1u8r s LEU 170 N -1.66 1.99 0.66 2.90 1.43 -0.84 -2.36 118.68 120.80 1u8r s LEU 170 Ca -0.10 -2.62 -0.18 0.00 -1.03 0.00 0.00 54.13 50.20 1u8r s LEU 170 Cb -0.09 -0.74 -0.01 0.00 0.03 0.00 0.00 46.19 45.39 1u8r s LEU 170 CO -0.00 -0.25 1.26 0.35 0.23 0.00 0.00 176.35 177.93 1u8r n THR 171 N 3.50 4.63 -0.28 5.49 -2.24 -0.92 -4.67 114.28 119.80 1u8r n THR 171 Ca 0.14 -0.48 0.18 0.00 -2.27 0.00 0.00 64.05 61.63 1u8r n THR 171 Cb 0.38 -1.44 0.34 0.00 -2.10 0.00 0.00 70.33 67.51 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 -1.95 -0.06 -0.31 -0.78 -0.58 -1.26 -0.37 120.64 115.34 1u8r n GLU 172 Ca 0.16 1.20 0.11 0.00 -0.42 0.00 0.00 57.16 58.21 1u8r n GLU 172 Cb 0.48 -2.00 0.28 0.00 -0.57 0.00 0.00 31.44 29.64 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 0.72 -0.17 -0.32 2.76 -1.92 0.17 115.15 116.40 1u8r h HIS 173 Ca 0.58 0.04 -0.21 0.00 -2.20 0.00 0.00 60.37 58.58 1u8r h HIS 173 Cb 1.37 -0.18 0.01 0.00 1.55 0.00 0.00 27.41 30.15 1u8r h HIS 173 CO -0.25 0.04 -0.72 -0.24 -1.30 0.00 0.00 177.93 175.46 1u8r h VAL 174 N 0.50 1.29 -0.23 5.26 3.04 -0.99 -2.60 116.25 122.52 1u8r h VAL 174 Ca 0.53 -1.94 0.07 0.00 -1.01 0.00 0.00 66.70 64.35 1u8r h VAL 174 Cb 0.93 1.92 -0.01 0.00 -2.01 0.00 0.00 31.29 32.12 1u8r h VAL 174 CO -0.47 0.61 0.27 1.56 -1.01 0.00 0.00 177.57 178.54 1u8r h GLN 175 N 0.53 0.00 0.90 4.17 4.20 -0.67 -2.42 115.11 121.82 1u8r h GLN 175 Ca -0.03 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.63 1u8r h GLN 175 Cb 1.33 0.00 0.01 0.00 0.30 0.00 0.00 27.48 29.12 1u8r h GLN 175 CO 0.15 0.00 -0.43 0.78 -0.67 0.00 0.00 178.83 178.66 1u8r h GLY 176 N 0.00 -1.26 -7.42 3.46 0.00 -0.60 -3.37 103.07 93.88 1u8r h GLY 176 Ca 0.11 0.47 -0.38 0.00 0.00 0.00 0.00 47.33 47.52 1u8r h GLY 176 CO -0.00 -0.46 1.08 -0.35 0.00 0.00 0.00 176.54 176.81 1u8r s ASP 177 N -4.17 4.94 0.29 0.19 3.68 -0.91 -4.80 116.67 115.89 1u8r s ASP 177 Ca -0.18 0.14 -0.02 0.00 2.13 0.00 0.00 52.55 54.63 1u8r s ASP 177 Cb 0.02 -2.54 0.43 0.00 -1.45 0.00 0.00 42.92 39.39 1u8r s ASP 177 CO 0.54 -2.73 1.93 -0.29 0.13 0.00 0.00 175.17 174.75 1u8r h ILE 178 N 7.22 1.21 -0.76 4.11 2.10 -1.81 -1.14 117.51 128.44 1u8r h ILE 178 Ca -0.13 -0.50 0.04 0.00 1.08 0.00 0.00 64.86 65.35 1u8r h ILE 178 Cb 1.12 0.20 -0.05 0.00 -1.09 0.00 0.00 36.82 37.00 1u8r h ILE 178 CO 1.18 0.23 0.48 0.44 -1.08 0.00 0.00 178.15 179.40 1u8r h ASP 179 N 1.02 0.78 -0.08 2.19 3.32 -1.95 -1.36 116.42 120.34 1u8r h ASP 179 Ca 0.26 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.18 1u8r h ASP 179 Cb -0.01 -0.16 0.01 0.00 0.22 0.00 0.00 39.33 39.39 1u8r h ASP 179 CO -0.05 0.53 -0.48 0.25 -1.72 0.00 0.00 179.24 177.77 1u8r h LEU 180 N 0.92 0.57 -2.32 1.55 5.85 -1.80 -2.46 115.31 117.61 1u8r h LEU 180 Ca 0.31 -0.66 -0.01 0.00 0.84 0.00 0.00 57.88 58.37 1u8r h LEU 180 Cb 0.05 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 40.91 1u8r h LEU 180 CO -0.12 1.13 -0.04 -0.29 -0.34 0.00 0.00 178.44 178.78 1u8r h ILE 181 N 0.04 0.30 0.09 4.05 6.09 -1.07 0.09 117.51 127.10 1u8r h ILE 181 Ca -0.04 -0.25 -0.00 0.00 -1.37 0.00 0.00 64.86 63.20 1u8r h ILE 181 Cb 1.13 1.18 0.00 0.00 0.47 0.00 0.00 36.82 39.60 1u8r h ILE 181 CO 0.10 0.04 -0.04 0.74 -3.07 0.00 0.00 178.15 175.92 1u8r h THR 182 N 0.00 0.98 -0.54 2.19 2.02 -1.15 -2.95 112.91 113.46 1u8r h THR 182 Ca -0.00 -1.42 0.09 0.00 0.77 0.00 0.00 66.41 65.85 1u8r h THR 182 Cb 0.18 1.73 -0.07 0.00 -1.74 0.00 0.00 68.15 68.24 1u8r h THR 182 CO 0.01 0.29 0.12 0.03 0.37 0.00 0.00 175.52 176.33 1u8r h ARG 183 N -0.90 0.25 -0.59 6.66 3.08 -0.95 0.04 114.38 121.97 1u8r h ARG 183 Ca -0.01 -0.01 0.11 0.00 0.07 0.00 0.00 59.98 60.13 1u8r h ARG 183 Cb 0.56 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.52 1u8r h ARG 183 CO 0.02 0.16 0.40 -0.07 -1.07 0.00 0.00 179.97 179.41 1u8r h LEU 184 N 0.26 0.30 -0.09 3.04 3.38 -1.07 0.97 115.31 122.11 1u8r h LEU 184 Ca 0.27 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.17 1u8r h LEU 184 Cb 0.38 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1u8r h LEU 184 CO -0.35 0.18 -0.26 0.50 0.09 0.00 0.00 178.44 178.60 1u8r h LYS 185 N 0.34 0.33 -0.80 1.13 3.64 -0.85 0.14 116.57 120.50 1u8r h LYS 185 Ca 0.27 -0.24 0.03 0.00 -1.27 0.00 0.00 60.65 59.44 1u8r h LYS 185 Cb 0.63 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.44 1u8r h LYS 185 CO -0.07 0.86 0.53 -0.44 -2.27 0.00 0.00 179.45 178.06 1u8r h ASP 186 N -0.13 0.87 -0.30 4.20 3.45 -0.13 -0.06 116.42 124.31 1u8r h ASP 186 Ca -0.01 -0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.44 1u8r h ASP 186 Cb 0.88 -0.21 0.00 0.00 -0.56 0.00 0.00 39.33 39.44 1u8r h ASP 186 CO 0.06 0.61 0.00 0.00 -1.57 0.00 0.00 179.24 178.33 1u8r n ALA 187 N -2.42 2.48 -0.53 3.45 0.00 0.22 -4.91 120.51 118.80 1u8r n ALA 187 Ca 0.10 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 53.00 1u8r n ALA 187 Cb 0.09 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.56 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 0.96 0.71 3.56 0.00 0.00 -0.04 -4.84 105.19 105.54 1u8r n GLY 188 Ca 0.10 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.26 3.24 0.30 1.61 1.01 0.47 -4.83 120.40 119.94 1u8r s VAL 189 Ca 0.00 -0.23 -0.00 0.00 0.00 0.00 0.00 61.98 61.75 1u8r s VAL 189 Cb 0.00 -3.61 -0.02 0.00 0.00 0.00 0.00 36.38 32.75 1u8r s VAL 189 CO 0.00 -0.49 0.36 0.68 0.00 0.00 0.00 175.10 175.65 1u8r s VAL 190 N 12.67 0.00 0.29 2.92 -7.23 -1.26 -4.53 120.40 123.25 1u8r s VAL 190 Ca 0.80 -1.77 -0.28 0.00 -1.81 0.00 0.00 61.98 58.93 1u8r s VAL 190 Cb -0.09 -2.53 -0.14 0.00 0.56 0.00 0.00 36.38 34.18 1u8r s VAL 190 CO 0.05 0.00 0.95 -2.65 -0.31 0.00 0.00 175.10 173.14 1u8r n PRO 191 N -0.51 1.21 -3.33 4.82 -0.02 -1.26 -3.05 135.00 132.86 1u8r n PRO 191 Ca 0.03 0.42 -0.17 0.00 -2.02 0.00 0.00 63.50 61.76 1u8r n PRO 191 Cb 0.63 -1.76 0.06 0.00 -0.02 0.00 0.00 33.50 32.41 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 1.28 -6.47 -3.62 2.55 3.02 -0.07 -4.98 115.26 106.97 1u8r n ASN 192 Ca 0.10 -0.73 -0.20 0.00 -0.03 0.00 0.00 54.58 53.72 1u8r n ASN 192 Cb 0.32 -4.83 -0.16 0.00 -0.61 0.00 0.00 39.78 34.50 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 -3.37 0.04 0.16 5.41 0.00 -1.17 -4.97 121.76 117.86 1u8r s ALA 193 Ca 0.43 0.20 -0.30 0.00 0.00 0.00 0.00 51.96 52.29 1u8r s ALA 193 Cb -0.08 -0.94 -0.08 0.00 0.00 0.00 0.00 23.12 22.02 1u8r s ALA 193 CO 0.77 -0.85 1.20 1.03 0.00 0.00 0.00 175.76 177.91 1u8r s ARG 194 N 2.24 4.48 0.10 0.00 0.52 -1.26 -2.29 118.95 122.74 1u8r s ARG 194 Ca 0.04 1.85 -0.25 0.00 -0.52 0.00 0.00 55.73 56.85 1u8r s ARG 194 Cb -0.14 -3.26 0.08 0.00 0.52 0.00 0.00 34.95 32.15 1u8r s ARG 194 CO -0.07 -0.11 0.77 0.54 0.02 0.00 0.00 175.30 176.44 1u8r s VAL 195 N 0.14 0.00 -0.01 3.52 0.11 -0.23 -4.79 120.40 119.15 1u8r s VAL 195 Ca 0.54 -0.16 0.04 0.00 -2.93 0.00 0.00 61.98 59.47 1u8r s VAL 195 Cb -0.32 -1.20 -0.03 0.00 -1.53 0.00 0.00 36.38 33.30 1u8r s VAL 195 CO 0.35 0.00 -0.12 0.42 -3.33 0.00 0.00 175.10 172.42 1u8r s THR 196 N -3.46 3.23 -0.01 5.04 -4.23 -1.12 -0.71 115.64 114.39 1u8r s THR 196 Ca 0.05 -0.86 0.04 0.00 -1.18 0.00 0.00 61.69 59.74 1u8r s THR 196 Cb -0.01 -2.35 -0.01 0.00 1.34 0.00 0.00 72.50 71.47 1u8r s THR 196 CO -0.08 0.45 -0.14 0.68 -0.54 0.00 0.00 174.62 174.98 1u8r s VAL 197 N -0.89 1.14 -0.03 2.29 -7.23 -0.25 0.84 120.40 116.28 1u8r s VAL 197 Ca 0.14 -0.61 0.02 0.00 -1.81 0.00 0.00 61.98 59.72 1u8r s VAL 197 Cb -0.11 -0.96 0.01 0.00 0.56 0.00 0.00 36.38 35.88 1u8r s VAL 197 CO 0.04 0.32 -0.08 -0.70 -0.31 0.00 0.00 175.10 174.38 1u8r s GLU 198 N -0.30 0.92 0.02 4.82 2.12 -0.32 -1.88 118.70 124.07 1u8r s GLU 198 Ca 0.05 -0.25 -0.30 0.00 0.36 0.00 0.00 54.97 54.82 1u8r s GLU 198 Cb -0.06 -0.86 -0.07 0.00 0.26 0.00 0.00 34.13 33.39 1u8r s GLU 198 CO -0.00 0.07 1.72 0.99 -0.54 0.00 0.00 175.26 177.49 1u8r s THR 199 N 0.35 3.22 0.73 -1.70 2.01 -1.26 -0.98 115.64 118.01 1u8r s THR 199 Ca -0.05 0.47 -0.10 0.00 0.31 0.00 0.00 61.69 62.31 1u8r s THR 199 Cb -0.10 -3.30 0.05 0.00 0.01 0.00 0.00 72.50 69.16 1u8r s THR 199 CO 0.01 -0.02 1.09 0.28 -0.69 0.00 0.00 174.62 175.29 1u8r s THR 200 N 3.50 2.77 0.11 -0.82 -1.32 -1.02 -4.72 115.64 114.14 1u8r s THR 200 Ca 0.77 0.14 -0.22 0.00 -1.21 0.00 0.00 61.69 61.17 1u8r s THR 200 Cb -0.38 -3.23 -0.08 0.00 -1.51 0.00 0.00 72.50 67.30 1u8r s THR 200 CO 0.33 -0.28 1.71 -0.65 -2.21 0.00 0.00 174.62 173.52 1u8r h PRO 201 N -0.74 -0.03 -2.67 7.08 0.11 -1.95 -3.20 132.00 130.60 1u8r h PRO 201 Ca -0.45 0.00 -0.46 0.00 0.11 0.00 0.00 66.00 65.20 1u8r h PRO 201 Cb 1.29 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.40 1u8r h PRO 201 CO 0.64 -0.02 2.18 0.41 -0.21 0.00 0.00 178.00 181.00 1u8r n GLY 202 N -1.17 3.66 2.79 -0.55 0.00 -1.26 -4.67 105.19 103.99 1u8r n GLY 202 Ca -0.05 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.66 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 3.19 0.00 0.00 -0.02 0.00 -1.21 -4.54 105.19 102.61 1u8r n GLY 203 Ca 0.62 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.64 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 -0.08 -1.11 3.41 -0.02 0.00 -1.26 -4.32 105.19 101.82 1u8r n GLY 204 Ca 0.00 -1.60 -0.12 0.00 0.00 0.00 0.00 46.02 44.30 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 -0.25 -0.01 -0.18 1.61 1.01 -0.77 -2.43 120.40 119.39 1u8r s VAL 205 Ca 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 61.98 61.98 1u8r s VAL 205 Cb 0.00 -0.73 -0.01 0.00 0.00 0.00 0.00 36.38 35.64 1u8r s VAL 205 CO 0.00 0.01 -0.09 -0.89 0.00 0.00 0.00 175.10 174.13 1u8r s THR 206 N 0.69 3.16 -0.22 3.92 2.01 -0.15 -0.47 115.64 124.58 1u8r s THR 206 Ca -0.03 -0.59 -0.11 0.00 0.31 0.00 0.00 61.69 61.27 1u8r s THR 206 Cb -0.05 -2.39 -0.05 0.00 0.01 0.00 0.00 72.50 70.02 1u8r s THR 206 CO -0.05 0.47 0.19 -0.63 -0.69 0.00 0.00 174.62 173.92 1u8r s ILE 207 N 1.02 5.35 -0.43 1.82 1.01 0.20 -1.17 121.20 129.00 1u8r s ILE 207 Ca -0.00 0.28 -0.09 0.00 0.00 0.00 0.00 60.65 60.83 1u8r s ILE 207 Cb -0.15 -3.53 0.09 0.00 0.01 0.00 0.00 42.46 38.88 1u8r s ILE 207 CO -0.01 0.37 0.29 -0.69 0.00 0.00 0.00 174.94 174.89 1u8r s VAL 208 N 0.83 4.27 -0.27 2.92 1.01 0.25 -2.14 120.40 127.28 1u8r s VAL 208 Ca 0.10 -1.48 -0.16 0.00 0.00 0.00 0.00 61.98 60.44 1u8r s VAL 208 Cb -0.13 -3.66 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 1u8r s VAL 208 CO 0.03 -0.58 0.41 -0.63 0.00 0.00 0.00 175.10 174.33 1u8r s ILE 209 N 1.42 5.15 -0.42 2.22 1.09 -1.26 -2.77 121.20 126.62 1u8r s ILE 209 Ca 0.04 0.65 -0.27 0.00 -1.10 0.00 0.00 60.65 59.97 1u8r s ILE 209 Cb -0.24 -3.73 -0.06 0.00 -1.06 0.00 0.00 42.46 37.37 1u8r s ILE 209 CO 0.02 0.14 2.28 -2.16 -0.10 0.00 0.00 174.94 175.12 1u8r s PRO 210 N 2.11 2.48 0.00 2.79 0.04 -1.26 -2.27 135.00 138.89 1u8r s PRO 210 Ca 0.17 1.51 0.00 0.00 0.04 0.00 0.00 61.00 62.71 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 0.10 -2.85 0.00 0.41 0.04 0.00 0.00 177.00 174.69 1u8r n GLY 211 N 5.89 2.55 3.60 0.56 0.00 -1.26 -5.10 105.19 111.42 1u8r n GLY 211 Ca 0.33 -0.81 -0.23 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.23 2.58 0.90 1.61 3.76 -0.96 -5.11 115.29 117.84 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 -1.16 -0.07 0.00 1.11 0.00 0.00 32.58 32.46 1u8r s HIS 212 CO 0.00 0.64 -0.16 0.39 -0.85 0.00 0.00 174.74 174.76 1u8r n GLU 213 N -0.83 -0.05 -1.70 1.40 -0.58 -1.26 -4.36 120.64 113.25 1u8r n GLU 213 Ca -0.06 0.01 -0.30 0.00 -0.42 0.00 0.00 57.16 56.38 1u8r n GLU 213 Cb 0.59 -1.40 0.06 0.00 -0.57 0.00 0.00 31.44 30.12 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 -1.40 5.19 -0.05 1.62 0.01 -1.26 -4.56 114.94 114.49 1u8r s ASN 214 Ca 0.51 1.32 -0.02 0.00 -0.71 0.00 0.00 52.86 53.96 1u8r s ASN 214 Cb -0.24 -2.14 0.04 0.00 0.41 0.00 0.00 41.25 39.31 1u8r s ASN 214 CO 0.73 -1.52 0.09 0.54 -1.51 0.00 0.00 177.10 175.42 1u8r s VAL 215 N -3.20 -0.13 -0.13 1.60 0.11 -0.91 -5.02 120.40 112.72 1u8r s VAL 215 Ca 0.59 0.34 -0.03 0.00 -2.93 0.00 0.00 61.98 59.94 1u8r s VAL 215 Cb -0.13 -0.18 -0.03 0.00 -1.53 0.00 0.00 36.38 34.51 1u8r s VAL 215 CO 0.54 0.14 -0.01 -0.89 -3.33 0.00 0.00 175.10 171.54 1u8r s THR 216 N 1.86 4.13 -0.09 5.04 2.01 -1.26 -0.63 115.64 126.69 1u8r s THR 216 Ca -0.00 -0.29 0.00 0.00 0.31 0.00 0.00 61.69 61.71 1u8r s THR 216 Cb -0.12 -2.79 -0.03 0.00 0.01 0.00 0.00 72.50 69.58 1u8r s THR 216 CO -0.04 0.53 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.58 1u8r s LEU 217 N -0.09 3.11 0.98 4.42 1.43 0.38 -5.00 118.68 123.92 1u8r s LEU 217 Ca 0.03 -0.08 -0.12 0.00 -1.03 0.00 0.00 54.13 52.93 1u8r s LEU 217 Cb -0.13 -1.69 0.18 0.00 0.03 0.00 0.00 46.19 44.58 1u8r s LEU 217 CO 0.02 0.30 1.08 -2.84 0.23 0.00 0.00 176.35 175.15 1u8r s PRO 218 N -0.46 0.54 0.23 1.29 0.02 -1.26 -1.85 135.00 133.50 1u8r s PRO 218 Ca 0.07 0.71 -0.07 0.00 0.02 0.00 0.00 61.00 61.73 1u8r s PRO 218 Cb -0.12 -1.73 0.37 0.00 0.02 0.00 0.00 34.50 33.04 1u8r s PRO 218 CO 0.02 -2.70 1.74 1.25 -0.33 0.00 0.00 177.00 176.97 1u8r h HIS 219 N -1.88 0.46 0.45 6.54 -0.00 -1.80 -0.68 115.15 118.23 1u8r h HIS 219 Ca -0.53 0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 59.85 1u8r h HIS 219 Cb 1.31 -0.10 -0.00 0.00 -0.00 0.00 0.00 27.41 28.62 1u8r h HIS 219 CO 0.34 0.08 -0.25 1.05 -0.00 0.00 0.00 177.93 179.16 1u8r h GLU 220 N 0.43 -0.62 -0.81 5.26 4.11 -1.92 -2.29 114.58 118.74 1u8r h GLU 220 Ca 0.36 0.04 0.10 0.00 0.07 0.00 0.00 59.36 59.93 1u8r h GLU 220 Cb 0.50 0.14 -0.07 0.00 0.50 0.00 0.00 28.75 29.82 1u8r h GLU 220 CO -0.36 -0.42 0.45 0.52 0.07 0.00 0.00 179.01 179.28 1u8r h MET 221 N -0.65 0.73 -0.96 1.06 2.86 -1.84 -0.51 114.93 115.63 1u8r h MET 221 Ca -0.06 -0.04 0.12 0.00 -2.06 0.00 0.00 59.70 57.66 1u8r h MET 221 Cb 0.52 -0.16 -0.08 0.00 0.06 0.00 0.00 31.60 31.93 1u8r h MET 221 CO 0.08 0.48 0.61 0.00 1.06 0.00 0.00 176.91 179.13 1u8r h ALA 222 N 1.46 1.62 -0.01 6.32 0.00 -0.83 0.39 119.26 128.22 1u8r h ALA 222 Ca 0.39 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.32 1u8r h ALA 222 Cb 0.39 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1u8r h ALA 222 CO -0.26 0.15 0.09 0.45 0.00 0.00 0.00 179.25 179.68 1u8r h HIS 223 N 0.90 0.00 -0.60 0.00 -0.00 -0.52 -2.04 115.15 112.90 1u8r h HIS 223 Ca 0.47 0.00 -0.07 0.00 -0.00 0.00 0.00 60.37 60.77 1u8r h HIS 223 Cb 0.53 0.00 -0.04 0.00 -0.00 0.00 0.00 27.41 27.89 1u8r h HIS 223 CO -0.00 0.00 0.09 0.00 -0.00 0.00 0.00 177.93 178.02 1u8r n ALA 224 N -2.05 4.05 -3.81 2.45 0.00 0.14 -4.59 120.51 116.70 1u8r n ALA 224 Ca -0.03 -1.93 -0.26 0.00 0.00 0.00 0.00 53.44 51.22 1u8r n ALA 224 Cb 0.16 -1.16 -0.17 0.00 0.00 0.00 0.00 19.45 18.27 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 -2.72 0.66 -0.11 0.00 1.01 -0.76 -2.16 120.40 116.31 1u8r s VAL 225 Ca 0.52 -0.24 -0.06 0.00 0.00 0.00 0.00 61.98 62.20 1u8r s VAL 225 Cb 0.40 -0.87 -0.04 0.00 0.00 0.00 0.00 36.38 35.87 1u8r s VAL 225 CO 0.14 0.15 0.10 -0.54 0.00 0.00 0.00 175.10 174.96 1u8r s LYS 226 N 1.84 3.33 0.25 2.72 1.02 -1.00 -1.66 119.74 126.24 1u8r s LYS 226 Ca 0.03 -0.20 0.01 0.00 0.02 0.00 0.00 55.97 55.83 1u8r s LYS 226 Cb -0.14 -3.09 -0.04 0.00 -0.52 0.00 0.00 37.83 34.04 1u8r s LYS 226 CO -0.07 0.76 0.14 0.14 -0.92 0.00 0.00 175.35 175.40 1u8r s VAL 227 N -0.98 0.23 -0.13 3.17 -7.23 0.67 -1.21 120.40 114.91 1u8r s VAL 227 Ca 0.14 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.34 1u8r s VAL 227 Cb -0.12 -2.54 0.01 0.00 0.56 0.00 0.00 36.38 34.29 1u8r s VAL 227 CO 0.04 0.00 -0.21 -0.70 -0.31 0.00 0.00 175.10 173.92 1u8r s GLU 228 N -3.98 2.86 -0.50 4.82 2.12 -0.95 -0.54 118.70 122.52 1u8r s GLU 228 Ca 0.38 -0.79 -0.27 0.00 0.36 0.00 0.00 54.97 54.65 1u8r s GLU 228 Cb 0.06 -2.33 -0.04 0.00 0.26 0.00 0.00 34.13 32.09 1u8r s GLU 228 CO 0.15 -0.03 2.03 0.15 -0.54 0.00 0.00 175.26 177.02 1u8r s LYS 229 N 0.87 2.64 0.00 4.30 1.02 -1.26 -1.65 119.74 125.66 1u8r s LYS 229 Ca -0.07 1.08 0.00 0.00 0.02 0.00 0.00 55.97 57.01 1u8r s LYS 229 Cb -0.15 -4.41 0.00 0.00 -0.52 0.00 0.00 37.83 32.75 1u8r s LYS 229 CO -0.02 -2.68 0.00 0.28 -0.92 0.00 0.00 175.35 172.01