#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 -0.05 3.17 2.85 -1.26 -4.97 115.26 115.00 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 -0.07 0.00 1.24 0.00 0.00 39.78 40.95 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 -0.44 0.00 1.20 4.57 -2.04 -2.22 114.58 115.66 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 0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.69 1u8r h GLU 3 CO 0.00 -0.29 0.00 1.28 -1.18 0.00 0.00 179.01 178.82 1u8r n LEU 4 N -5.43 0.65 0.00 1.64 4.77 -1.26 -4.92 117.00 112.46 1u8r n LEU 4 Ca -0.03 0.59 0.00 0.00 -0.03 0.00 0.00 56.01 56.53 1u8r n LEU 4 Cb 0.36 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 1u8r n LEU 4 CO 0.08 -0.26 0.00 0.52 -1.33 0.00 0.00 177.39 176.40 1u8r n VAL 5 N -2.14 0.00 -3.42 4.08 0.31 -0.84 -4.59 118.33 111.73 1u8r n VAL 5 Ca 0.05 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.22 1u8r n VAL 5 Cb 0.36 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 33.18 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 1.35 0.09 4.52 3.68 -1.26 -4.89 116.67 120.15 1u8r s ASP 6 Ca 0.00 -0.43 -0.33 0.00 2.13 0.00 0.00 52.55 53.91 1u8r s ASP 6 Cb 0.00 0.57 -0.16 0.00 -1.45 0.00 0.00 42.92 41.88 1u8r s ASP 6 CO 0.00 -0.36 1.60 0.74 0.13 0.00 0.00 175.17 177.28 1u8r h THR 7 N 6.26 0.18 -0.44 1.71 2.02 -2.00 -2.36 112.91 118.29 1u8r h THR 7 Ca -0.15 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.12 1u8r h THR 7 Cb 1.11 0.18 -0.09 0.00 -1.74 0.00 0.00 68.15 67.61 1u8r h THR 7 CO 0.31 0.00 -0.21 0.74 0.37 0.00 0.00 175.52 176.72 1u8r h THR 8 N -0.90 0.37 -0.52 3.16 2.02 -1.97 0.10 112.91 115.18 1u8r h THR 8 Ca -0.05 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.17 1u8r h THR 8 Cb 0.77 0.37 -0.04 0.00 -1.74 0.00 0.00 68.15 67.51 1u8r h THR 8 CO -0.01 0.00 0.26 -0.33 0.37 0.00 0.00 175.52 175.81 1u8r h GLU 9 N -0.13 0.49 -0.19 6.66 5.08 -1.96 -0.37 114.58 124.16 1u8r h GLU 9 Ca 0.21 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.51 1u8r h GLU 9 Cb 0.45 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1u8r h GLU 9 CO -0.52 0.33 -0.03 0.52 -1.00 0.00 0.00 179.01 178.31 1u8r h MET 10 N 0.51 0.28 -0.26 2.33 2.86 -0.65 0.22 114.93 120.22 1u8r h MET 10 Ca 0.23 -0.05 -0.05 0.00 -2.06 0.00 0.00 59.70 57.77 1u8r h MET 10 Cb 0.14 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.74 1u8r h MET 10 CO -0.16 0.33 -0.05 1.88 1.06 0.00 0.00 176.91 179.97 1u8r h TYR 11 N 0.27 0.55 -0.23 -0.22 -1.99 -0.13 -0.28 116.97 114.94 1u8r h TYR 11 Ca 0.06 -0.11 -0.01 0.00 2.00 0.00 0.00 58.73 60.67 1u8r h TYR 11 Cb 0.24 -0.13 -0.01 0.00 2.00 0.00 0.00 36.73 38.83 1u8r h TYR 11 CO 0.00 0.70 0.12 -0.07 -0.00 0.00 0.00 178.16 178.91 1u8r h LEU 12 N 0.24 0.29 -1.53 3.88 3.38 -0.37 -0.88 115.31 120.32 1u8r h LEU 12 Ca 0.07 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 1u8r h LEU 12 Cb 0.52 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1u8r h LEU 12 CO 0.02 0.31 -0.24 -0.09 0.09 0.00 0.00 178.44 178.53 1u8r h ARG 13 N 0.25 0.00 -0.09 1.13 1.12 -0.52 -1.28 114.38 114.99 1u8r h ARG 13 Ca 0.08 0.00 -0.18 0.00 -1.11 0.00 0.00 59.98 58.77 1u8r h ARG 13 Cb 0.09 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 30.05 1u8r h ARG 13 CO -0.01 0.24 -0.71 1.15 -3.11 0.00 0.00 179.97 177.53 1u8r h THR 14 N 0.00 1.37 0.23 0.20 2.02 -0.53 0.97 112.91 117.17 1u8r h THR 14 Ca -0.00 -2.10 -0.01 0.00 0.77 0.00 0.00 66.41 65.07 1u8r h THR 14 Cb 0.45 2.08 0.00 0.00 -1.74 0.00 0.00 68.15 68.94 1u8r h THR 14 CO 0.03 0.63 -0.11 0.40 0.37 0.00 0.00 175.52 176.85 1u8r h ILE 15 N 0.30 0.80 -0.25 3.11 1.08 -0.57 -1.75 117.51 120.22 1u8r h ILE 15 Ca -0.03 -0.11 0.05 0.00 -0.39 0.00 0.00 64.86 64.38 1u8r h ILE 15 Cb 1.29 0.86 -0.05 0.00 -3.07 0.00 0.00 36.82 35.85 1u8r h ILE 15 CO 0.12 0.03 -0.05 0.22 -0.69 0.00 0.00 178.15 177.78 1u8r h TYR 16 N -0.36 -0.12 -0.49 1.37 5.03 -1.16 -2.46 116.97 118.78 1u8r h TYR 16 Ca -0.03 0.02 0.09 0.00 2.58 0.00 0.00 58.73 61.40 1u8r h TYR 16 Cb 0.28 0.09 -0.08 0.00 1.55 0.00 0.00 36.73 38.57 1u8r h TYR 16 CO -0.05 -0.10 0.00 -0.44 -1.32 0.00 0.00 178.16 176.26 1u8r h ASP 17 N 0.01 -0.21 -0.62 -2.11 3.32 -0.64 -0.83 116.42 115.34 1u8r h ASP 17 Ca 0.12 0.12 0.05 0.00 0.02 0.00 0.00 57.03 57.34 1u8r h ASP 17 Cb 0.18 0.21 -0.05 0.00 0.22 0.00 0.00 39.33 39.89 1u8r h ASP 17 CO -0.25 -0.07 0.35 -0.07 -1.72 0.00 0.00 179.24 177.48 1u8r h LEU 18 N 0.12 0.52 -0.39 1.55 3.38 -0.89 -0.45 115.31 119.15 1u8r h LEU 18 Ca 0.25 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1u8r h LEU 18 Cb 0.37 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1u8r h LEU 18 CO -0.41 0.35 0.26 -0.33 0.09 0.00 0.00 178.44 178.39 1u8r h GLU 19 N 0.66 0.52 -0.64 1.13 5.08 -0.88 0.23 114.58 120.67 1u8r h GLU 19 Ca 0.27 -0.04 0.10 0.00 -1.00 0.00 0.00 59.36 58.69 1u8r h GLU 19 Cb 0.14 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.24 1u8r h GLU 19 CO -0.16 0.36 0.43 1.49 -1.00 0.00 0.00 179.01 180.13 1u8r h GLU 20 N 0.53 0.48 0.00 2.33 4.81 -0.45 0.23 114.58 122.50 1u8r h GLU 20 Ca 0.14 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1u8r h GLU 20 Cb -0.05 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.23 1u8r h GLU 20 CO -0.03 0.32 -0.22 0.39 -0.73 0.00 0.00 179.01 178.74 1u8r n GLU 21 N -4.48 0.18 -1.99 1.92 1.02 -0.24 -4.95 120.64 112.10 1u8r n GLU 21 Ca 0.10 0.11 -0.04 0.00 -0.02 0.00 0.00 57.16 57.32 1u8r n GLU 21 Cb 0.35 -1.67 -0.00 0.00 -0.02 0.00 0.00 31.44 30.10 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 1.38 0.25 3.58 0.62 0.00 0.81 -4.75 105.19 107.07 1u8r n GLY 22 Ca 0.05 -0.74 -0.27 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.20 3.30 -0.00 1.61 -7.23 -0.83 -5.03 120.40 110.02 1u8r s VAL 23 Ca 0.00 -1.54 -0.30 0.00 -1.81 0.00 0.00 61.98 58.33 1u8r s VAL 23 Cb 0.00 -2.62 -0.05 0.00 0.56 0.00 0.00 36.38 34.27 1u8r s VAL 23 CO 0.00 -0.06 1.42 -0.89 -0.31 0.00 0.00 175.10 175.26 1u8r s THR 24 N -1.60 3.69 -1.06 5.32 2.01 -1.26 -4.24 115.64 118.49 1u8r s THR 24 Ca 0.24 1.06 -0.24 0.00 0.31 0.00 0.00 61.69 63.06 1u8r s THR 24 Cb -0.09 -3.68 -0.12 0.00 0.01 0.00 0.00 72.50 68.61 1u8r s THR 24 CO 0.15 -0.01 2.04 -2.84 -0.69 0.00 0.00 174.62 173.27 1u8r s PRO 25 N 2.52 2.07 0.21 4.92 0.02 -1.26 -4.93 135.00 138.53 1u8r s PRO 25 Ca 0.64 -0.63 0.05 0.00 0.02 0.00 0.00 61.00 61.09 1u8r s PRO 25 Cb -0.32 -5.09 -0.04 0.00 0.02 0.00 0.00 34.50 29.08 1u8r s PRO 25 CO 0.26 -4.32 0.23 -0.51 -0.33 0.00 0.00 177.00 172.33 1u8r s LEU 26 N 12.82 4.00 0.32 -5.54 1.43 -1.26 0.93 118.68 131.38 1u8r s LEU 26 Ca 0.75 -0.08 0.01 0.00 -1.03 0.00 0.00 54.13 53.78 1u8r s LEU 26 Cb -0.04 -2.56 0.54 0.00 0.03 0.00 0.00 46.19 44.15 1u8r s LEU 26 CO 0.11 0.00 1.91 0.03 0.23 0.00 0.00 176.35 178.64 1u8r h ARG 27 N 1.82 0.78 -0.83 1.70 3.08 -1.93 -2.00 114.38 116.99 1u8r h ARG 27 Ca -0.49 -0.11 0.13 0.00 0.07 0.00 0.00 59.98 59.58 1u8r h ARG 27 Cb 1.22 -0.14 -0.06 0.00 0.08 0.00 0.00 29.97 31.06 1u8r h ARG 27 CO 0.63 0.63 0.54 0.00 -1.07 0.00 0.00 179.97 180.70 1u8r h ALA 28 N 1.48 1.85 0.27 0.04 0.00 -1.97 -1.41 119.26 119.53 1u8r h ALA 28 Ca 0.19 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1u8r h ALA 28 Cb 0.13 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1u8r h ALA 28 CO -0.02 -0.05 -0.13 0.00 0.00 0.00 0.00 179.25 179.05 1u8r h ARG 29 N 0.66 -0.35 -0.65 0.00 2.47 -1.72 -2.61 114.38 112.18 1u8r h ARG 29 Ca 0.40 0.02 0.13 0.00 -1.26 0.00 0.00 59.98 59.27 1u8r h ARG 29 Cb 0.64 0.08 -0.09 0.00 -1.65 0.00 0.00 29.97 28.94 1u8r h ARG 29 CO -0.17 -0.12 0.17 0.82 0.56 0.00 0.00 179.97 181.23 1u8r h ILE 30 N -0.54 0.62 -0.31 2.04 2.04 -1.22 -1.07 117.51 119.07 1u8r h ILE 30 Ca -0.04 -0.10 0.05 0.00 1.00 0.00 0.00 64.86 65.78 1u8r h ILE 30 Cb 0.40 0.30 -0.05 0.00 -0.74 0.00 0.00 36.82 36.73 1u8r h ILE 30 CO 0.06 0.05 0.01 0.00 0.00 0.00 0.00 178.15 178.27 1u8r h ALA 31 N 1.52 0.29 0.47 1.87 0.00 -1.32 0.86 119.26 122.94 1u8r h ALA 31 Ca 0.35 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.33 1u8r h ALA 31 Cb 0.54 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1u8r h ALA 31 CO -0.42 -0.40 -0.33 0.93 0.00 0.00 0.00 179.25 179.03 1u8r h GLU 32 N 0.10 -0.75 -0.53 0.00 5.08 -0.89 0.11 114.58 117.70 1u8r h GLU 32 Ca 0.15 0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.51 1u8r h GLU 32 Cb 0.20 0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 1u8r h GLU 32 CO -0.25 -0.50 0.13 0.00 -1.00 0.00 0.00 179.01 177.39 1u8r h ARG 33 N -0.78 0.81 -0.22 2.33 3.08 -0.97 -2.80 114.38 115.83 1u8r h ARG 33 Ca -0.05 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 59.84 1u8r h ARG 33 Cb 0.65 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.58 1u8r h ARG 33 CO 0.03 0.73 0.00 1.28 -1.07 0.00 0.00 179.97 180.94 1u8r n LEU 34 N -4.28 3.10 -3.54 3.04 4.77 0.27 -4.98 117.00 115.39 1u8r n LEU 34 Ca 0.04 -1.21 -0.24 0.00 -0.03 0.00 0.00 56.01 54.57 1u8r n LEU 34 Cb 0.22 -0.13 0.05 0.00 -2.33 0.00 0.00 43.42 41.23 1u8r n LEU 34 CO 0.40 0.61 -0.03 -0.67 -1.33 0.00 0.00 177.39 176.36 1u8r n ASP 35 N 1.32 -4.71 -4.33 -1.43 -0.08 0.30 -5.02 116.55 102.61 1u8r n ASP 35 Ca 0.17 -0.86 -0.17 0.00 -1.51 0.00 0.00 54.79 52.41 1u8r n ASP 35 Cb 0.58 -4.17 -0.10 0.00 2.34 0.00 0.00 41.12 39.77 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 -5.45 1.29 0.71 -0.67 -0.21 -0.81 -5.05 119.66 109.46 1u8r s GLN 36 Ca 0.35 -1.60 -0.11 0.00 0.02 0.00 0.00 55.36 54.02 1u8r s GLN 36 Cb -0.09 -0.90 0.02 0.00 1.00 0.00 0.00 33.01 33.04 1u8r s GLN 36 CO 0.81 0.08 1.07 -1.54 -2.12 0.00 0.00 175.29 173.59 1u8r s SER 37 N -3.29 5.12 0.12 5.90 1.04 -1.26 -4.62 113.70 116.70 1u8r s SER 37 Ca 0.23 1.71 -0.27 0.00 0.48 0.00 0.00 55.95 58.10 1u8r s SER 37 Cb 0.02 -2.51 -0.07 0.00 0.10 0.00 0.00 66.02 63.56 1u8r s SER 37 CO 0.06 -1.62 1.62 1.23 0.98 0.00 0.00 173.24 175.52 1u8r h GLY 38 N -0.73 -0.53 -0.01 7.32 0.00 -1.97 -1.79 103.07 105.35 1u8r h GLY 38 Ca -0.44 0.36 0.21 0.00 0.00 0.00 0.00 47.33 47.45 1u8r h GLY 38 CO 0.55 -0.23 0.53 -2.55 0.00 0.00 0.00 176.54 174.83 1u8r h PRO 39 N -0.49 0.59 0.15 4.80 0.11 -1.99 -0.67 132.00 134.49 1u8r h PRO 39 Ca 0.04 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.11 1u8r h PRO 39 Cb 0.54 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.52 1u8r h PRO 39 CO -0.20 0.39 -0.07 1.15 -0.21 0.00 0.00 178.00 179.05 1u8r h THR 40 N 0.61 0.89 -0.13 -1.15 2.02 -1.71 -1.65 112.91 111.79 1u8r h THR 40 Ca 0.58 -0.18 -0.04 0.00 0.77 0.00 0.00 66.41 67.54 1u8r h THR 40 Cb 0.99 1.01 -0.01 0.00 -1.74 0.00 0.00 68.15 68.40 1u8r h THR 40 CO -0.44 0.04 -0.11 -0.37 0.37 0.00 0.00 175.52 175.02 1u8r h VAL 41 N -0.29 1.16 0.49 3.16 -1.51 -0.67 -0.59 116.25 118.00 1u8r h VAL 41 Ca -0.02 -0.68 -0.02 0.00 -1.23 0.00 0.00 66.70 64.74 1u8r h VAL 41 Cb 0.23 1.18 0.00 0.00 -2.13 0.00 0.00 31.29 30.57 1u8r h VAL 41 CO 0.03 0.21 -0.23 0.28 -1.23 0.00 0.00 177.57 176.63 1u8r h SER 42 N 0.20 -0.55 -0.73 4.19 0.02 -0.91 -0.27 113.55 115.50 1u8r h SER 42 Ca 0.04 -0.08 0.10 0.00 -0.84 0.00 0.00 61.79 61.01 1u8r h SER 42 Cb 0.32 0.14 -0.07 0.00 0.14 0.00 0.00 62.40 62.93 1u8r h SER 42 CO 0.02 -0.20 0.37 -0.61 -1.14 0.00 0.00 176.83 175.27 1u8r h GLN 43 N -0.96 0.60 -0.25 3.45 4.15 -1.14 -0.85 115.11 120.12 1u8r h GLN 43 Ca -0.07 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.31 1u8r h GLN 43 Cb 0.60 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 28.14 1u8r h GLN 43 CO 0.11 0.40 0.12 1.15 -1.93 0.00 0.00 178.83 178.68 1u8r h THR 44 N 0.62 1.15 -0.69 2.39 2.02 -1.07 -1.89 112.91 115.44 1u8r h THR 44 Ca 0.36 -0.43 0.07 0.00 0.77 0.00 0.00 66.41 67.18 1u8r h THR 44 Cb 0.38 0.97 -0.06 0.00 -1.74 0.00 0.00 68.15 67.70 1u8r h THR 44 CO -0.27 0.15 0.37 0.58 0.37 0.00 0.00 175.52 176.71 1u8r h VAL 45 N 0.27 0.92 0.07 3.16 2.07 -0.30 -1.49 116.25 120.95 1u8r h VAL 45 Ca 0.09 -0.22 0.02 0.00 0.82 0.00 0.00 66.70 67.40 1u8r h VAL 45 Cb 0.13 0.21 -0.05 0.00 -1.52 0.00 0.00 31.29 30.05 1u8r h VAL 45 CO -0.01 0.12 -0.43 0.28 0.02 0.00 0.00 177.57 177.55 1u8r h SER 46 N 0.66 -1.30 -1.01 0.57 0.02 -0.52 0.61 113.55 112.57 1u8r h SER 46 Ca 0.32 0.15 0.27 0.00 -0.84 0.00 0.00 61.79 61.69 1u8r h SER 46 Cb 0.26 0.50 -0.13 0.00 0.14 0.00 0.00 62.40 63.17 1u8r h SER 46 CO -0.22 -0.48 0.60 0.03 -1.14 0.00 0.00 176.83 175.62 1u8r h ARG 47 N -0.63 0.48 -0.35 3.45 3.08 -0.70 0.39 114.38 120.10 1u8r h ARG 47 Ca 0.03 -0.03 -0.15 0.00 0.07 0.00 0.00 59.98 59.90 1u8r h ARG 47 Cb 0.68 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.62 1u8r h ARG 47 CO -0.28 0.32 -0.38 0.52 -1.07 0.00 0.00 179.97 179.07 1u8r h MET 48 N 0.49 0.88 -0.09 0.04 2.86 0.34 -2.34 114.93 117.11 1u8r h MET 48 Ca 0.67 -0.48 -0.01 0.00 -2.06 0.00 0.00 59.70 57.82 1u8r h MET 48 Cb 1.39 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 33.07 1u8r h MET 48 CO -0.49 1.12 0.03 1.49 1.06 0.00 0.00 176.91 180.13 1u8r h GLU 49 N 0.68 0.14 -0.54 1.72 4.81 0.32 -1.33 114.58 120.37 1u8r h GLU 49 Ca 0.05 -0.03 0.16 0.00 -0.13 0.00 0.00 59.36 59.41 1u8r h GLU 49 Cb 0.98 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.31 1u8r h GLU 49 CO 0.09 0.28 0.47 -0.09 -0.73 0.00 0.00 179.01 179.03 1u8r h ARG 50 N -0.03 0.00 -0.55 1.92 2.43 -0.36 0.38 114.38 118.18 1u8r h ARG 50 Ca 0.03 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1u8r h ARG 50 Cb 0.19 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 1u8r h ARG 50 CO -0.00 0.00 0.00 -0.25 -1.51 0.00 0.00 179.97 178.21 1u8r n ASP 51 N -4.00 4.86 -3.64 -3.80 8.00 -0.81 -4.96 116.55 112.20 1u8r n ASP 51 Ca 0.10 -2.68 -0.22 0.00 0.71 0.00 0.00 54.79 52.71 1u8r n ASP 51 Cb 0.69 -0.59 0.04 0.00 -0.02 0.00 0.00 41.12 41.24 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 0.66 -0.48 0.01 0.44 0.00 0.14 -4.90 105.19 101.05 1u8r n GLY 52 Ca 0.25 0.22 0.04 0.00 0.00 0.00 0.00 46.02 46.53 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 -4.14 0.00 -3.82 0.99 4.77 -0.57 -4.28 117.00 109.96 1u8r n LEU 53 Ca -0.25 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.67 1u8r n LEU 53 Cb 0.66 0.02 -0.01 0.00 -2.33 0.00 0.00 43.42 41.76 1u8r n LEU 53 CO 0.67 0.02 0.59 -1.48 -1.33 0.00 0.00 177.39 175.86 1u8r s LEU 54 N -3.78 -0.16 -0.02 2.23 0.05 -1.25 -2.07 118.68 113.68 1u8r s LEU 54 Ca -0.04 -0.65 -0.03 0.00 0.05 0.00 0.00 54.13 53.46 1u8r s LEU 54 Cb 0.06 2.52 0.00 0.00 -2.05 0.00 0.00 46.19 46.72 1u8r s LEU 54 CO 0.41 -1.24 0.07 -0.13 -0.55 0.00 0.00 176.35 174.90 1u8r s ARG 55 N -3.26 0.14 -0.35 1.48 0.52 0.24 -4.25 118.95 113.46 1u8r s ARG 55 Ca 0.13 -0.02 -0.17 0.00 -0.52 0.00 0.00 55.73 55.15 1u8r s ARG 55 Cb -0.04 0.06 -0.00 0.00 0.52 0.00 0.00 34.95 35.49 1u8r s ARG 55 CO 0.06 -0.02 0.47 0.08 0.02 0.00 0.00 175.30 175.91 1u8r s VAL 56 N -0.25 5.06 0.98 3.52 1.01 -1.26 -1.29 120.40 128.17 1u8r s VAL 56 Ca -0.03 0.21 -0.17 0.00 0.00 0.00 0.00 61.98 61.99 1u8r s VAL 56 Cb -0.02 -3.94 0.24 0.00 0.00 0.00 0.00 36.38 32.67 1u8r s VAL 56 CO 0.00 -0.20 0.93 0.00 0.00 0.00 0.00 175.10 175.82 1u8r n ALA 57 N 5.65 -2.61 -0.01 5.51 0.00 -0.76 -4.86 120.51 123.43 1u8r n ALA 57 Ca -0.06 -1.35 -0.11 0.00 0.00 0.00 0.00 53.44 51.92 1u8r n ALA 57 Cb 0.49 -0.09 -0.05 0.00 0.00 0.00 0.00 19.45 19.80 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 -2.20 0.17 0.99 0.00 0.00 -1.97 -1.33 103.07 98.73 1u8r h GLY 58 Ca -0.34 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 46.92 1u8r h GLY 58 CO 0.23 0.06 0.00 2.09 0.00 0.00 0.00 176.54 178.92 1u8r n ASP 59 N -5.00 0.00 0.00 0.19 5.68 -1.26 -4.86 116.55 111.31 1u8r n ASP 59 Ca -0.05 -0.78 0.00 0.00 -0.50 0.00 0.00 54.79 53.47 1u8r n ASP 59 Cb 0.03 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.01 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 -0.99 0.00 -2.82 0.11 1.74 -0.50 -5.05 116.66 109.14 1u8r n ARG 60 Ca 0.18 0.07 -0.32 0.00 -0.77 0.00 0.00 57.85 57.02 1u8r n ARG 60 Cb 0.08 -2.69 -0.04 0.00 -1.02 0.00 0.00 32.46 28.79 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 3.42 -0.13 -1.55 -3.43 -1.26 -4.59 115.29 105.75 1u8r s HIS 61 Ca 0.00 1.25 -0.22 0.00 -0.80 0.00 0.00 55.06 55.29 1u8r s HIS 61 Cb 0.00 -2.59 -0.03 0.00 -1.43 0.00 0.00 32.58 28.53 1u8r s HIS 61 CO 0.00 -0.11 0.65 -0.51 -2.00 0.00 0.00 174.74 172.77 1u8r s LEU 62 N -3.59 4.23 -0.20 5.38 1.43 0.27 -1.83 118.68 124.37 1u8r s LEU 62 Ca 0.55 1.00 -0.02 0.00 -1.03 0.00 0.00 54.13 54.63 1u8r s LEU 62 Cb -0.10 -2.97 0.00 0.00 0.03 0.00 0.00 46.19 43.16 1u8r s LEU 62 CO 0.25 -0.18 -0.11 -0.70 0.23 0.00 0.00 176.35 175.85 1u8r s GLU 63 N 1.30 3.22 0.34 1.70 2.56 -0.41 -4.75 118.70 122.66 1u8r s GLU 63 Ca 0.33 -0.71 -0.27 0.00 0.00 0.00 0.00 54.97 54.32 1u8r s GLU 63 Cb -0.16 -2.82 -0.09 0.00 2.00 0.00 0.00 34.13 33.05 1u8r s GLU 63 CO 0.13 -0.19 1.10 -0.51 -0.56 0.00 0.00 175.26 175.23 1u8r s LEU 64 N 1.37 4.37 0.80 2.70 1.43 -1.26 -0.59 118.68 127.50 1u8r s LEU 64 Ca 0.05 2.21 -0.08 0.00 -1.03 0.00 0.00 54.13 55.29 1u8r s LEU 64 Cb -0.14 -3.86 0.14 0.00 0.03 0.00 0.00 46.19 42.35 1u8r s LEU 64 CO -0.07 -0.34 1.11 0.42 0.23 0.00 0.00 176.35 177.71 1u8r s THR 65 N -1.36 2.13 0.16 5.49 -4.23 -0.88 -4.76 115.64 112.19 1u8r s THR 65 Ca 0.51 -0.31 -0.22 0.00 -1.18 0.00 0.00 61.69 60.48 1u8r s THR 65 Cb -0.29 -2.82 0.05 0.00 1.34 0.00 0.00 72.50 70.78 1u8r s THR 65 CO 0.37 0.00 1.61 -0.08 -0.54 0.00 0.00 174.62 175.98 1u8r h GLU 66 N -0.93 -0.24 0.35 3.99 4.57 -1.89 -0.29 114.58 120.14 1u8r h GLU 66 Ca -0.41 0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 57.77 1u8r h GLU 66 Cb 1.27 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.92 1u8r h GLU 66 CO 0.45 -0.16 -0.17 -0.22 -1.18 0.00 0.00 179.01 177.73 1u8r h LYS 67 N -0.25 -0.45 -0.73 1.92 3.64 -1.90 -2.91 116.57 115.89 1u8r h LYS 67 Ca 0.16 0.03 0.14 0.00 -1.27 0.00 0.00 60.65 59.71 1u8r h LYS 67 Cb 0.51 0.10 -0.10 0.00 -0.41 0.00 0.00 32.23 32.33 1u8r h LYS 67 CO -0.47 -0.23 0.25 0.78 -2.27 0.00 0.00 179.45 177.50 1u8r h GLY 68 N -0.57 1.06 0.99 5.01 0.00 -1.52 -1.61 103.07 106.43 1u8r h GLY 68 Ca -0.05 -0.10 -0.06 0.00 0.00 0.00 0.00 47.33 47.12 1u8r h GLY 68 CO 0.08 -0.13 0.08 -0.09 0.00 0.00 0.00 176.54 176.48 1u8r h ARG 69 N 0.37 0.83 -0.62 4.80 2.43 -1.06 -1.15 114.38 119.98 1u8r h ARG 69 Ca 0.40 -0.22 0.10 0.00 -0.81 0.00 0.00 59.98 59.45 1u8r h ARG 69 Cb 0.63 -0.10 -0.07 0.00 -0.42 0.00 0.00 29.97 30.01 1u8r h ARG 69 CO -0.43 0.82 0.23 0.00 -1.51 0.00 0.00 179.97 179.08 1u8r h ALA 70 N 0.97 0.80 0.14 2.80 0.00 -1.10 -0.28 119.26 122.60 1u8r h ALA 70 Ca 0.15 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1u8r h ALA 70 Cb 0.40 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1u8r h ALA 70 CO 0.01 -0.19 -0.07 1.25 0.00 0.00 0.00 179.25 180.25 1u8r h LEU 71 N 0.41 -0.16 -0.64 0.00 6.46 -1.28 -1.82 115.31 118.27 1u8r h LEU 71 Ca 0.32 -0.25 0.13 0.00 -0.12 0.00 0.00 57.88 57.95 1u8r h LEU 71 Cb 0.40 0.04 -0.12 0.00 -0.73 0.00 0.00 40.66 40.24 1u8r h LEU 71 CO -0.32 0.17 -0.22 0.00 -0.62 0.00 0.00 178.44 177.45 1u8r h ALA 72 N 0.30 0.29 -0.03 1.25 0.00 -0.74 0.13 119.26 120.46 1u8r h ALA 72 Ca -0.02 0.23 0.02 0.00 0.00 0.00 0.00 54.91 55.15 1u8r h ALA 72 Cb 0.39 0.60 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 1u8r h ALA 72 CO 0.03 -0.50 -0.13 0.82 0.00 0.00 0.00 179.25 179.47 1u8r h ILE 73 N -0.06 0.68 -0.92 0.00 2.04 -0.99 -1.17 117.51 117.10 1u8r h ILE 73 Ca 0.29 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.37 1u8r h ILE 73 Cb 0.52 0.68 -0.12 0.00 -0.74 0.00 0.00 36.82 37.16 1u8r h ILE 73 CO -0.69 0.00 0.45 0.00 0.00 0.00 0.00 178.15 177.92 1u8r h ALA 74 N 0.79 1.49 0.01 1.87 0.00 0.06 0.83 119.26 124.30 1u8r h ALA 74 Ca 0.05 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1u8r h ALA 74 Cb 0.27 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1u8r h ALA 74 CO -0.15 -0.27 -0.00 0.28 0.00 0.00 0.00 179.25 179.11 1u8r h VAL 75 N 0.50 1.32 -0.93 0.00 2.07 -0.39 -2.73 116.25 116.08 1u8r h VAL 75 Ca 0.56 -0.98 0.11 0.00 0.82 0.00 0.00 66.70 67.21 1u8r h VAL 75 Cb 1.01 1.98 -0.08 0.00 -1.52 0.00 0.00 31.29 32.68 1u8r h VAL 75 CO -0.48 0.25 0.56 -0.03 0.02 0.00 0.00 177.57 177.89 1u8r h MET 76 N -0.43 0.88 -0.06 1.57 -1.53 0.01 -0.24 114.93 115.13 1u8r h MET 76 Ca -0.00 -0.05 -0.00 0.00 -3.44 0.00 0.00 59.70 56.21 1u8r h MET 76 Cb 0.42 -0.20 -0.00 0.00 -0.55 0.00 0.00 31.60 31.27 1u8r h MET 76 CO 0.00 0.58 0.04 -0.09 0.14 0.00 0.00 176.91 177.58 1u8r h ARG 77 N 0.90 0.09 -0.37 0.39 2.43 -0.85 -1.34 114.38 115.63 1u8r h ARG 77 Ca 0.45 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.59 1u8r h ARG 77 Cb 0.44 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.95 1u8r h ARG 77 CO -0.26 0.09 0.13 0.87 -1.51 0.00 0.00 179.97 179.29 1u8r h LYS 78 N 0.06 0.56 -0.34 0.20 1.57 -1.13 -1.17 116.57 116.32 1u8r h LYS 78 Ca 0.02 -0.11 0.07 0.00 -1.87 0.00 0.00 60.65 58.77 1u8r h LYS 78 Cb 0.02 -0.09 -0.08 0.00 0.08 0.00 0.00 32.23 32.17 1u8r h LYS 78 CO -0.00 0.55 -0.17 1.25 -0.57 0.00 0.00 179.45 180.51 1u8r h HIS 79 N 0.44 -0.43 -0.14 -1.35 2.76 -0.79 0.36 115.15 116.01 1u8r h HIS 79 Ca 0.12 0.04 -0.17 0.00 -2.20 0.00 0.00 60.37 58.16 1u8r h HIS 79 Cb 0.21 0.24 -0.01 0.00 1.55 0.00 0.00 27.41 29.41 1u8r h HIS 79 CO 0.00 -0.25 -0.63 0.00 -1.30 0.00 0.00 177.93 175.75 1u8r h ARG 80 N -0.12 0.49 -0.07 5.26 3.08 -1.12 -1.91 114.38 119.99 1u8r h ARG 80 Ca 0.17 -0.35 -0.05 0.00 0.07 0.00 0.00 59.98 59.83 1u8r h ARG 80 Cb 0.39 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 1u8r h ARG 80 CO -0.42 0.96 -0.20 -0.07 -1.07 0.00 0.00 179.97 179.18 1u8r h LEU 81 N 0.36 0.10 -0.16 3.04 3.38 -0.79 -1.75 115.31 119.49 1u8r h LEU 81 Ca -0.01 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 1u8r h LEU 81 Cb 1.19 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.91 1u8r h LEU 81 CO 0.11 0.31 -0.20 0.00 0.09 0.00 0.00 178.44 178.75 1u8r h ALA 82 N 1.70 0.24 -0.66 1.53 0.00 -0.68 -1.66 119.26 119.74 1u8r h ALA 82 Ca 0.02 -0.36 0.04 0.00 0.00 0.00 0.00 54.91 54.61 1u8r h ALA 82 Cb 0.41 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1u8r h ALA 82 CO 0.03 0.18 0.44 0.93 0.00 0.00 0.00 179.25 180.82 1u8r h GLU 83 N 0.06 0.74 0.85 0.00 5.08 -1.01 0.15 114.58 120.45 1u8r h GLU 83 Ca 0.02 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 1u8r h GLU 83 Cb 0.76 -0.17 0.01 0.00 0.50 0.00 0.00 28.75 29.85 1u8r h GLU 83 CO 0.05 0.49 -0.41 0.00 -1.00 0.00 0.00 179.01 178.14 1u8r h ARG 84 N 0.76 -1.11 -0.88 2.33 2.47 -1.12 -1.81 114.38 115.03 1u8r h ARG 84 Ca 0.27 0.08 0.16 0.00 -1.26 0.00 0.00 59.98 59.22 1u8r h ARG 84 Cb 0.12 0.25 -0.10 0.00 -1.65 0.00 0.00 29.97 28.59 1u8r h ARG 84 CO -0.08 -0.74 0.47 1.25 0.56 0.00 0.00 179.97 181.43 1u8r h LEU 85 N -1.21 0.56 -0.19 3.04 5.85 -0.75 -0.08 115.31 122.53 1u8r h LEU 85 Ca -0.12 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 1u8r h LEU 85 Cb 0.88 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.91 1u8r h LEU 85 CO 0.19 0.22 0.08 -0.07 -0.34 0.00 0.00 178.44 178.52 1u8r h LEU 86 N 0.63 0.26 0.39 2.25 3.38 -0.62 -1.13 115.31 120.48 1u8r h LEU 86 Ca 0.49 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 58.29 1u8r h LEU 86 Cb 0.73 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1u8r h LEU 86 CO -0.38 0.34 -0.19 0.58 0.09 0.00 0.00 178.44 178.89 1u8r h VAL 87 N 0.16 0.19 0.82 1.22 2.07 -0.79 0.17 116.25 120.08 1u8r h VAL 87 Ca 0.06 -0.66 -0.04 0.00 0.82 0.00 0.00 66.70 66.88 1u8r h VAL 87 Cb 0.16 0.30 0.01 0.00 -1.52 0.00 0.00 31.29 30.24 1u8r h VAL 87 CO -0.01 0.04 -0.39 0.44 0.02 0.00 0.00 177.57 177.68 1u8r h ASP 88 N -1.09 -0.93 0.00 0.57 3.32 -1.12 -3.10 116.42 114.07 1u8r h ASP 88 Ca -0.05 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1u8r h ASP 88 Cb 0.47 0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.26 1u8r h ASP 88 CO 0.09 -0.63 -0.27 0.58 -1.72 0.00 0.00 179.24 177.29 1u8r h VAL 89 N -1.16 0.00 -0.45 -1.35 2.07 -1.55 -3.38 116.25 110.42 1u8r h VAL 89 Ca -0.11 -0.99 0.04 0.00 0.82 0.00 0.00 66.70 66.46 1u8r h VAL 89 Cb 0.84 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 1u8r h VAL 89 CO 0.18 0.00 0.30 0.40 0.02 0.00 0.00 177.57 178.47 1u8r h ILE 90 N -0.99 1.02 -0.36 4.57 1.08 -1.27 -3.47 117.51 118.09 1u8r h ILE 90 Ca 0.00 -0.16 -0.05 0.00 -0.39 0.00 0.00 64.86 64.27 1u8r h ILE 90 Cb 0.27 0.52 -0.00 0.00 -3.07 0.00 0.00 36.82 34.54 1u8r h ILE 90 CO 0.00 0.08 -0.06 0.61 -0.69 0.00 0.00 178.15 178.09 1u8r n GLY 91 N -1.50 0.29 3.75 5.37 0.00 0.39 -5.01 105.19 108.48 1u8r n GLY 91 Ca 0.05 -0.79 -0.40 0.00 0.00 0.00 0.00 46.02 44.89 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 -0.69 4.62 0.35 0.99 2.96 -0.07 -4.98 118.68 121.86 1u8r s LEU 92 Ca 0.00 1.85 -0.26 0.00 -0.22 0.00 0.00 54.13 55.50 1u8r s LEU 92 Cb -0.00 -3.53 -0.12 0.00 0.50 0.00 0.00 46.19 43.04 1u8r s LEU 92 CO 0.00 0.14 1.04 -0.81 -1.32 0.00 0.00 176.35 175.40 1u8r n PRO 93 N 1.69 1.45 -0.20 0.98 -0.04 -1.26 -4.33 135.00 133.29 1u8r n PRO 93 Ca -0.02 0.51 -0.11 0.00 -0.04 0.00 0.00 63.50 63.84 1u8r n PRO 93 Cb 0.48 -1.98 -0.07 0.00 -0.04 0.00 0.00 33.50 31.88 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 1.86 -1.55 0.00 0.54 7.01 -1.97 -1.64 115.95 120.19 1u8r h TRP 94 Ca -0.42 0.09 0.00 0.00 2.11 0.00 0.00 58.89 60.66 1u8r h TRP 94 Cb 1.33 0.75 0.00 0.00 -2.10 0.00 0.00 29.16 29.15 1u8r h TRP 94 CO 0.46 -0.45 0.00 -0.85 -2.79 0.00 0.00 178.44 174.81 1u8r n GLU 95 N -5.37 0.59 0.00 2.65 0.00 -1.26 -2.92 120.64 114.32 1u8r n GLU 95 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.15 1u8r n GLU 95 Cb 0.34 -1.28 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 0.29 2.87 -0.10 3.44 1.02 -0.63 -4.84 120.64 122.70 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 0.17 -0.74 0.17 0.00 -0.02 0.00 0.00 31.44 31.02 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 0.08 2.62 -1.51 -1.41 -3.05 116.25 114.22 1u8r h VAL 97 Ca 0.00 -1.01 0.02 0.00 -1.23 0.00 0.00 66.70 64.48 1u8r h VAL 97 Cb 0.11 0.91 -0.03 0.00 -2.13 0.00 0.00 31.29 30.15 1u8r h VAL 97 CO 0.00 0.35 -0.23 -0.74 -1.23 0.00 0.00 177.57 175.73 1u8r h HIS 98 N 0.71 -0.60 -0.06 5.19 -0.00 -1.88 0.25 115.15 118.75 1u8r h HIS 98 Ca 0.14 0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.51 1u8r h HIS 98 Cb 0.46 0.26 -0.00 0.00 -0.00 0.00 0.00 27.41 28.12 1u8r h HIS 98 CO 0.02 -0.32 -0.01 0.00 -0.00 0.00 0.00 177.93 177.62 1u8r h ALA 99 N 0.40 1.86 0.03 5.26 0.00 -1.90 0.17 119.26 125.09 1u8r h ALA 99 Ca 0.04 -0.05 -0.23 0.00 0.00 0.00 0.00 54.91 54.66 1u8r h ALA 99 Cb 0.44 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1u8r h ALA 99 CO -0.15 0.11 -1.01 1.49 0.00 0.00 0.00 179.25 179.69 1u8r h GLU 100 N 0.09 0.35 0.00 0.00 4.57 -1.32 -3.21 114.58 115.06 1u8r h GLU 100 Ca 0.02 -0.42 -0.10 0.00 -1.18 0.00 0.00 59.36 57.68 1u8r h GLU 100 Cb 0.09 0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.79 1u8r h GLU 100 CO 0.00 1.12 -0.47 0.00 -1.18 0.00 0.00 179.01 178.48 1u8r h ALA 101 N 0.73 0.83 0.00 2.92 0.00 0.74 -2.48 119.26 121.99 1u8r h ALA 101 Ca -0.09 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1u8r h ALA 101 Cb 1.67 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.38 1u8r h ALA 101 CO 0.17 0.58 0.00 0.00 0.00 0.00 0.00 179.25 180.00 1u8r n ARG 103 N -2.31 0.58 0.20 0.00 1.74 -1.12 -4.51 116.66 111.24 1u8r n ARG 103 Ca 0.01 0.18 0.05 0.00 -0.77 0.00 0.00 57.85 57.32 1u8r n ARG 103 Cb 0.17 -1.46 0.49 0.00 -1.02 0.00 0.00 32.46 30.63 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 -0.38 0.05 0.00 -1.55 4.06 -1.28 -2.73 115.95 114.12 1u8r h TRP 104 Ca -0.59 -0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.36 1u8r h TRP 104 Cb 1.73 -0.01 0.00 0.00 -1.00 0.00 0.00 29.16 29.88 1u8r h TRP 104 CO -0.02 0.21 0.14 1.05 -3.56 0.00 0.00 178.44 176.26 1u8r h GLU 105 N 0.05 0.00 -0.70 0.49 4.11 -1.46 -0.91 114.58 116.15 1u8r h GLU 105 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.44 1u8r h GLU 105 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 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 -2.84 1.19 -0.16 2.06 8.25 -1.03 -4.41 115.22 118.27 1u8r n HIS 106 Ca -0.02 -0.53 0.00 0.00 -0.26 0.00 0.00 57.72 56.91 1u8r n HIS 106 Cb 0.19 -0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.20 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 1.42 0.00 -2.18 1.59 0.24 -0.39 -5.00 118.33 114.01 1u8r n VAL 107 Ca 0.25 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 62.13 1u8r n VAL 107 Cb 0.73 0.94 -0.03 0.00 -1.47 0.00 0.00 33.84 34.01 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 0.00 4.26 0.77 7.34 -1.94 -0.94 -4.99 119.30 123.80 1u8r s MET 108 Ca 0.00 2.01 -0.11 0.00 -1.71 0.00 0.00 55.69 55.88 1u8r s MET 108 Cb 0.00 -3.62 0.05 0.00 2.01 0.00 0.00 34.83 33.28 1u8r s MET 108 CO 0.00 -0.62 1.08 -1.54 -0.01 0.00 0.00 175.02 173.93 1u8r s SER 109 N 2.06 4.69 0.43 3.03 1.04 -1.26 -4.94 113.70 118.75 1u8r s SER 109 Ca 0.65 1.46 0.21 0.00 0.48 0.00 0.00 55.95 58.75 1u8r s SER 109 Cb -0.32 -2.23 0.95 0.00 0.10 0.00 0.00 66.02 64.52 1u8r s SER 109 CO 0.27 -1.87 1.87 -0.08 0.98 0.00 0.00 173.24 174.41 1u8r h GLU 110 N -1.01 0.00 0.29 4.02 4.81 -2.00 -2.77 114.58 117.92 1u8r h GLU 110 Ca -0.46 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.76 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 0.28 -0.14 -0.44 -0.73 0.00 0.00 179.01 178.55 1u8r h ASP 111 N 0.00 -0.33 -0.58 1.04 3.45 -2.00 -2.41 116.42 115.58 1u8r h ASP 111 Ca -0.00 -0.19 0.17 0.00 0.43 0.00 0.00 57.03 57.44 1u8r h ASP 111 Cb 0.66 0.09 -0.02 0.00 -0.56 0.00 0.00 39.33 39.49 1u8r h ASP 111 CO 0.04 0.04 0.42 0.58 -1.57 0.00 0.00 179.24 178.75 1u8r h VAL 112 N -0.75 0.69 0.54 -1.35 2.07 -1.91 -1.79 116.25 113.75 1u8r h VAL 112 Ca -0.04 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.45 1u8r h VAL 112 Cb 0.50 0.70 0.01 0.00 -1.52 0.00 0.00 31.29 30.98 1u8r h VAL 112 CO 0.07 0.00 -0.26 -0.33 0.02 0.00 0.00 177.57 177.07 1u8r h GLU 113 N 0.00 -0.70 -0.77 1.57 5.08 -1.21 -0.67 114.58 117.89 1u8r h GLU 113 Ca 0.27 0.05 0.12 0.00 -1.00 0.00 0.00 59.36 58.80 1u8r h GLU 113 Cb 1.12 0.16 -0.13 0.00 0.50 0.00 0.00 28.75 30.40 1u8r h GLU 113 CO -0.00 -0.47 -0.40 0.00 -1.00 0.00 0.00 179.01 177.14 1u8r h ARG 114 N -0.79 -0.11 -0.81 2.33 3.08 -0.87 0.24 114.38 117.45 1u8r h ARG 114 Ca -0.07 0.01 0.10 0.00 0.07 0.00 0.00 59.98 60.08 1u8r h ARG 114 Cb 0.56 0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.57 1u8r h ARG 114 CO 0.12 -0.07 0.53 -0.09 -1.07 0.00 0.00 179.97 179.39 1u8r h ARG 115 N -0.11 0.74 -0.00 0.04 9.65 -1.35 0.67 114.38 124.02 1u8r h ARG 115 Ca 0.25 -0.04 -0.09 0.00 -1.10 0.00 0.00 59.98 59.00 1u8r h ARG 115 Cb 0.56 -0.17 -0.01 0.00 -1.39 0.00 0.00 29.97 28.96 1u8r h ARG 115 CO -0.82 0.49 -0.42 -0.07 2.80 0.00 0.00 179.97 181.95 1u8r h LEU 116 N 0.76 0.01 -0.31 3.80 3.38 0.10 -1.96 115.31 121.09 1u8r h LEU 116 Ca 0.38 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.34 1u8r h LEU 116 Cb 0.44 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 1u8r h LEU 116 CO -0.15 0.43 0.20 0.58 0.09 0.00 0.00 178.44 179.59 1u8r h VAL 117 N 0.01 1.09 -0.21 1.22 2.07 0.24 -1.44 116.25 119.23 1u8r h VAL 117 Ca -0.00 -0.19 -0.13 0.00 0.82 0.00 0.00 66.70 67.20 1u8r h VAL 117 Cb 0.74 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 1u8r h VAL 117 CO 0.05 0.09 -0.41 0.11 0.02 0.00 0.00 177.57 177.44 1u8r h LYS 118 N 0.42 0.48 0.00 1.57 1.79 -1.23 0.24 116.57 119.84 1u8r h LYS 118 Ca 0.11 -0.24 0.00 0.00 -2.18 0.00 0.00 60.65 58.35 1u8r h LYS 118 Cb -0.03 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.63 1u8r h LYS 118 CO -0.02 0.80 0.00 0.28 -1.08 0.00 0.00 179.45 179.43 1u8r h VAL 119 N 0.39 0.00 -0.28 0.50 2.07 -1.02 -3.05 116.25 114.86 1u8r h VAL 119 Ca 0.03 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1u8r h VAL 119 Cb 0.88 1.44 0.00 0.00 -1.52 0.00 0.00 31.29 32.10 1u8r h VAL 119 CO 0.07 0.00 0.00 0.18 0.02 0.00 0.00 177.57 177.84 1u8r n LEU 120 N -2.60 2.74 -2.81 2.57 4.77 -0.57 -5.00 117.00 116.09 1u8r n LEU 120 Ca 0.03 -1.97 -0.11 0.00 -0.03 0.00 0.00 56.01 53.93 1u8r n LEU 120 Cb 0.37 -0.19 0.05 0.00 -2.33 0.00 0.00 43.42 41.32 1u8r n LEU 120 CO 0.27 0.68 0.03 0.59 -1.33 0.00 0.00 177.39 177.63 1u8r n ASN 121 N 0.35 -5.14 -4.02 -1.43 5.03 -0.98 -3.90 115.26 105.17 1u8r n ASN 121 Ca 0.09 -0.52 -0.37 0.00 0.87 0.00 0.00 54.58 54.66 1u8r n ASN 121 Cb 0.39 -4.02 -0.01 0.00 -1.02 0.00 0.00 39.78 35.13 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 -2.77 -2.69 -4.56 6.41 3.02 0.81 -4.90 115.26 110.57 1u8r n ASN 122 Ca -0.07 -1.18 -0.29 0.00 -0.03 0.00 0.00 54.58 53.00 1u8r n ASN 122 Cb 0.59 -2.27 0.22 0.00 -0.61 0.00 0.00 39.78 37.71 1u8r n ASN 122 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1u8r s PRO 123 N -6.96 -0.16 0.00 3.52 0.04 -1.25 -4.96 135.00 125.23 1u8r s PRO 123 Ca 0.31 1.13 0.00 0.00 0.04 0.00 0.00 61.00 62.47 1u8r s PRO 123 Cb -0.15 -1.62 0.00 0.00 0.04 0.00 0.00 34.50 32.77 1u8r s PRO 123 CO 0.94 -3.30 0.12 0.25 0.04 0.00 0.00 177.00 175.05 1u8r n THR 124 N -4.65 0.00 -4.13 1.26 -2.24 -1.26 -4.94 114.28 98.31 1u8r n THR 124 Ca 0.06 -0.14 -0.14 0.00 -2.27 0.00 0.00 64.05 61.57 1u8r n THR 124 Cb 0.53 1.60 -0.07 0.00 -2.10 0.00 0.00 70.33 70.30 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 0.32 4.28 -4.23 -1.26 -1.19 115.64 113.52 1u8r s THR 125 Ca 0.00 -1.74 0.07 0.00 -1.18 0.00 0.00 61.69 58.84 1u8r s THR 125 Cb 0.00 -2.48 -0.02 0.00 1.34 0.00 0.00 72.50 71.34 1u8r s THR 125 CO 0.00 0.00 0.37 -0.94 -0.54 0.00 0.00 174.62 173.51 1u8r s SER 126 N -3.19 5.73 0.00 3.99 1.04 0.20 -4.81 113.70 116.66 1u8r s SER 126 Ca 0.33 -0.27 0.00 0.00 0.48 0.00 0.00 55.95 56.49 1u8r s SER 126 Cb 0.02 -1.23 0.00 0.00 0.10 0.00 0.00 66.02 64.91 1u8r s SER 126 CO 0.17 -0.33 0.35 -2.65 0.98 0.00 0.00 173.24 171.76 1u8r n PRO 127 N -1.48 0.00 -0.01 4.02 -0.02 -1.26 0.91 135.00 137.16 1u8r n PRO 127 Ca -0.02 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.46 1u8r n PRO 127 Cb 0.59 -1.43 0.01 0.00 -0.02 0.00 0.00 33.50 32.64 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 -0.84 0.02 0.00 6.00 3.01 -1.26 -4.89 117.46 119.50 1u8r n PHE 128 Ca 0.00 -0.18 0.00 0.00 1.01 0.00 0.00 57.45 58.28 1u8r n PHE 128 Cb 0.00 -0.02 0.00 0.00 -0.01 0.00 0.00 39.48 39.45 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 -0.08 1.77 3.74 1.37 0.00 0.26 -1.41 105.19 110.84 1u8r n GLY 129 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.04 7.34 0.47 1.61 -0.87 -1.26 -4.63 114.94 115.55 1u8r s ASN 130 Ca 0.00 2.10 -0.23 0.00 -1.57 0.00 0.00 52.86 53.16 1u8r s ASN 130 Cb 0.00 -2.61 -0.07 0.00 -0.02 0.00 0.00 41.25 38.55 1u8r s ASN 130 CO 0.00 -0.13 1.25 -2.16 -2.57 0.00 0.00 177.10 173.48 1u8r s PRO 131 N -0.76 3.63 -0.52 -0.60 0.04 -1.26 -0.63 135.00 134.90 1u8r s PRO 131 Ca 0.47 1.98 -0.25 0.00 0.04 0.00 0.00 61.00 63.24 1u8r s PRO 131 Cb -0.29 -2.44 0.03 0.00 0.04 0.00 0.00 34.50 31.84 1u8r s PRO 131 CO 0.36 -0.71 0.97 0.42 0.04 0.00 0.00 177.00 178.08 1u8r s ILE 132 N -1.42 4.36 1.15 0.56 1.01 -0.33 -4.87 121.20 121.67 1u8r s ILE 132 Ca 0.64 0.54 -0.17 0.00 0.00 0.00 0.00 60.65 61.66 1u8r s ILE 132 Cb -0.34 -4.53 0.26 0.00 0.01 0.00 0.00 42.46 37.86 1u8r s ILE 132 CO 0.41 -1.05 1.09 -2.16 0.00 0.00 0.00 174.94 173.24 1u8r s PRO 133 N 4.03 -0.79 -1.12 2.79 0.04 -1.26 -4.16 135.00 134.53 1u8r s PRO 133 Ca 0.35 0.16 -0.14 0.00 0.04 0.00 0.00 61.00 61.41 1u8r s PRO 133 Cb -0.11 -1.63 0.14 0.00 0.04 0.00 0.00 34.50 32.95 1u8r s PRO 133 CO 0.23 -3.47 0.35 0.41 0.04 0.00 0.00 177.00 174.56 1u8r n GLY 134 N -0.80 -0.43 0.13 0.56 0.00 -1.26 -4.64 105.19 98.74 1u8r n GLY 134 Ca 0.10 0.04 -0.01 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.51 0.00 0.23 0.99 3.38 -1.95 -3.15 115.31 114.29 1u8r h LEU 135 Ca -0.35 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.28 1u8r h LEU 135 Cb 1.22 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.99 1u8r h LEU 135 CO 0.53 0.63 -1.55 -2.24 0.09 0.00 0.00 178.44 175.90 1u8r h ASP 136 N 0.00 0.74 0.34 -0.43 2.03 -1.88 -2.92 116.42 114.31 1u8r h ASP 136 Ca -0.01 -0.88 0.00 0.00 -0.73 0.00 0.00 57.03 55.42 1u8r h ASP 136 Cb 1.15 -0.24 0.00 0.00 -0.83 0.00 0.00 39.33 39.40 1u8r h ASP 136 CO 0.08 1.70 0.00 -1.84 -1.03 0.00 0.00 179.24 178.15 1u8r n GLU 137 N -3.66 0.04 -0.01 4.15 0.00 -1.24 -1.44 120.64 118.47 1u8r n GLU 137 Ca -0.19 0.27 -0.19 0.00 0.00 0.00 0.00 57.16 57.06 1u8r n GLU 137 Cb 1.09 -1.50 -0.14 0.00 0.00 0.00 0.00 31.44 30.90 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 0.27 0.00 -1.84 6.46 -1.50 -3.49 115.31 115.21 1u8r h LEU 138 Ca 0.00 -0.87 0.00 0.00 -0.12 0.00 0.00 57.88 56.89 1u8r h LEU 138 Cb 0.17 -0.09 0.00 0.00 -0.73 0.00 0.00 40.66 40.01 1u8r h LEU 138 CO 0.00 1.39 0.00 0.61 -0.62 0.00 0.00 178.44 179.82 1u8r n GLY 139 N 1.65 0.23 0.00 3.75 0.00 -0.52 -5.01 105.19 105.29 1u8r n GLY 139 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.66 1.61 0.24 -1.12 -5.02 118.33 113.37 1u8r n VAL 140 Ca 0.00 0.00 0.09 0.00 -2.04 0.00 0.00 64.34 62.39 1u8r n VAL 140 Cb 0.00 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.34 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 -2.24 0.00 7.63 0.00 -1.26 -4.15 105.19 105.17 1u8r n GLY 141 Ca 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.70 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 -3.30 0.00 -4.49 0.99 7.94 -1.26 -4.94 117.00 111.94 1u8r n LEU 151 Ca -0.02 0.00 -0.23 0.00 -1.11 0.00 0.00 56.01 54.65 1u8r n LEU 151 Cb 0.31 0.00 -0.10 0.00 0.53 0.00 0.00 43.42 44.16 1u8r n LEU 151 CO 0.01 0.00 -0.25 0.68 -1.11 0.00 0.00 177.39 176.73 1u8r s VAL 152 N 0.00 1.01 -0.15 1.96 -7.23 0.32 -4.97 120.40 111.35 1u8r s VAL 152 Ca 0.00 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.13 1u8r s VAL 152 Cb 0.00 -2.62 -0.03 0.00 0.56 0.00 0.00 36.38 34.29 1u8r s VAL 152 CO 0.00 0.00 -0.01 -0.60 -0.31 0.00 0.00 175.10 174.18 1u8r s ARG 153 N -3.84 3.59 0.64 4.82 3.52 -1.26 -0.33 118.95 126.10 1u8r s ARG 153 Ca 0.31 -0.46 0.12 0.00 -0.13 0.00 0.00 55.73 55.57 1u8r s ARG 153 Cb 0.06 -2.95 0.51 0.00 -1.56 0.00 0.00 34.95 31.01 1u8r s ARG 153 CO 0.14 0.35 1.22 -0.07 -0.81 0.00 0.00 175.30 176.13 1u8r h LEU 154 N 6.37 0.00 0.05 -0.88 3.38 -1.39 1.66 115.31 124.51 1u8r h LEU 154 Ca -0.36 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.36 1u8r h LEU 154 Cb 1.18 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.92 1u8r h LEU 154 CO 0.63 0.00 -1.16 0.71 0.09 0.00 0.00 178.44 178.71 1u8r h THR 155 N 0.00 1.56 -0.08 0.22 1.35 -1.85 -3.26 112.91 110.84 1u8r h THR 155 Ca 0.17 -3.22 -0.03 0.00 -0.55 0.00 0.00 66.41 62.78 1u8r h THR 155 Cb 2.14 2.86 -0.02 0.00 -1.73 0.00 0.00 68.15 71.40 1u8r h THR 155 CO -0.00 0.91 0.04 -0.62 -0.25 0.00 0.00 175.52 175.60 1u8r n GLU 156 N -3.41 1.27 -3.95 4.72 1.02 0.56 -4.79 120.64 116.06 1u8r n GLU 156 Ca -0.05 -0.32 -0.35 0.00 -0.02 0.00 0.00 57.16 56.42 1u8r n GLU 156 Cb 0.98 -1.35 -0.13 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 -0.32 3.19 0.52 -4.62 2.96 -1.23 -4.83 118.68 114.35 1u8r s LEU 157 Ca 0.06 -0.26 -0.22 0.00 -0.22 0.00 0.00 54.13 53.49 1u8r s LEU 157 Cb 0.05 -1.82 -0.07 0.00 0.50 0.00 0.00 46.19 44.85 1u8r s LEU 157 CO 0.01 0.02 1.19 -0.81 -1.32 0.00 0.00 176.35 175.44 1u8r n PRO 158 N 4.57 1.49 -1.55 0.98 -0.04 -1.26 -4.87 135.00 134.31 1u8r n PRO 158 Ca -0.17 0.55 -0.21 0.00 -0.04 0.00 0.00 63.50 63.63 1u8r n PRO 158 Cb 0.51 -2.35 0.14 0.00 -0.04 0.00 0.00 33.50 31.76 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 -0.97 -0.86 0.00 0.55 0.00 -1.26 -4.69 120.51 113.29 1u8r n ALA 159 Ca 0.10 -1.32 0.00 0.00 0.00 0.00 0.00 53.44 52.22 1u8r n ALA 159 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 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 -1.27 1.15 3.81 0.00 0.00 -1.26 -4.99 105.19 102.63 1u8r n GLY 160 Ca 0.12 -1.00 -0.38 0.00 0.00 0.00 0.00 46.02 44.77 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 6.79 1.04 1.61 0.15 -1.26 -4.85 113.70 113.18 1u8r s SER 161 Ca 0.00 0.93 -0.23 0.00 0.70 0.00 0.00 55.95 57.36 1u8r s SER 161 Cb 0.00 -2.26 -0.08 0.00 -1.71 0.00 0.00 66.02 61.97 1u8r s SER 161 CO 0.00 0.26 -0.83 -2.65 1.20 0.00 0.00 173.24 171.22 1u8r n PRO 162 N 2.20 -0.53 -3.82 5.44 -0.02 -1.26 -4.94 135.00 132.06 1u8r n PRO 162 Ca -0.13 -0.15 -0.12 0.00 -2.02 0.00 0.00 63.50 61.08 1u8r n PRO 162 Cb 0.52 -1.28 -0.12 0.00 -0.02 0.00 0.00 33.50 32.60 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 -2.10 0.01 -0.15 -1.45 1.01 -0.56 -4.95 120.40 112.21 1u8r s VAL 163 Ca 0.44 -0.08 -0.20 0.00 0.00 0.00 0.00 61.98 62.14 1u8r s VAL 163 Cb -0.02 -0.25 -0.03 0.00 0.00 0.00 0.00 36.38 36.07 1u8r s VAL 163 CO 0.68 -0.04 0.59 0.00 0.00 0.00 0.00 175.10 176.32 1u8r s ALA 164 N -0.09 3.49 0.23 5.51 0.00 -1.26 -1.05 121.76 128.59 1u8r s ALA 164 Ca -0.02 -0.19 -0.05 0.00 0.00 0.00 0.00 51.96 51.70 1u8r s ALA 164 Cb -0.02 -2.86 -0.02 0.00 0.00 0.00 0.00 23.12 20.22 1u8r s ALA 164 CO 0.00 -0.31 0.29 0.14 0.00 0.00 0.00 175.76 175.89 1u8r s VAL 165 N 1.33 0.00 -0.16 0.00 -7.23 0.45 -2.72 120.40 112.07 1u8r s VAL 165 Ca 0.29 -1.74 0.01 0.00 -1.81 0.00 0.00 61.98 58.72 1u8r s VAL 165 Cb -0.16 -2.39 0.02 0.00 0.56 0.00 0.00 36.38 34.41 1u8r s VAL 165 CO 0.12 0.00 -0.15 0.54 -0.31 0.00 0.00 175.10 175.29 1u8r s VAL 166 N -4.01 1.72 -0.04 1.32 0.11 -0.69 -1.03 120.40 117.78 1u8r s VAL 166 Ca 0.32 -0.76 -0.34 0.00 -2.93 0.00 0.00 61.98 58.27 1u8r s VAL 166 Cb 0.03 -1.61 -0.12 0.00 -1.53 0.00 0.00 36.38 33.15 1u8r s VAL 166 CO 0.12 0.45 1.83 0.52 -3.33 0.00 0.00 175.10 174.70 1u8r n VAL 167 N 4.72 0.49 -0.06 2.04 0.31 -0.90 -2.08 118.33 122.85 1u8r n VAL 167 Ca -0.18 -0.09 -0.08 0.00 -0.01 0.00 0.00 64.34 63.99 1u8r n VAL 167 Cb 0.50 -1.83 -0.06 0.00 -0.91 0.00 0.00 33.84 31.54 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 6.12 0.66 -3.96 5.55 5.12 -0.80 -0.44 116.66 128.90 1u8r n ARG 168 Ca 0.22 0.06 -0.09 0.00 -1.93 0.00 0.00 57.85 56.10 1u8r n ARG 168 Cb 0.30 -1.24 -0.11 0.00 -1.16 0.00 0.00 32.46 30.25 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 -2.24 0.32 -0.40 5.56 -0.21 -0.81 -4.42 119.66 117.47 1u8r s GLN 169 Ca -0.14 -0.56 0.01 0.00 0.02 0.00 0.00 55.36 54.69 1u8r s GLN 169 Cb 0.04 0.12 0.14 0.00 1.00 0.00 0.00 33.01 34.31 1u8r s GLN 169 CO 0.30 -0.06 0.23 -0.51 -2.12 0.00 0.00 175.29 173.13 1u8r s LEU 170 N -1.40 1.99 0.68 2.90 1.43 -0.50 -2.48 118.68 121.30 1u8r s LEU 170 Ca -0.15 -2.45 -0.17 0.00 -1.03 0.00 0.00 54.13 50.33 1u8r s LEU 170 Cb -0.09 -0.77 0.01 0.00 0.03 0.00 0.00 46.19 45.36 1u8r s LEU 170 CO -0.01 -0.28 1.25 0.42 0.23 0.00 0.00 176.35 177.96 1u8r s THR 171 N 0.65 2.17 0.29 5.49 -4.23 -0.88 -4.69 115.64 114.43 1u8r s THR 171 Ca 0.18 0.09 0.15 0.00 -1.18 0.00 0.00 61.69 60.94 1u8r s THR 171 Cb -0.24 -2.89 0.28 0.00 1.34 0.00 0.00 72.50 70.99 1u8r s THR 171 CO 0.00 -0.03 1.23 -0.62 -0.54 0.00 0.00 174.62 174.66 1u8r n GLU 172 N -2.21 -0.05 -0.28 3.99 -0.58 -1.26 -0.40 120.64 119.84 1u8r n GLU 172 Ca 0.15 1.08 0.03 0.00 -0.42 0.00 0.00 57.16 58.00 1u8r n GLU 172 Cb 0.49 -1.93 0.17 0.00 -0.57 0.00 0.00 31.44 29.60 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 0.78 -0.20 -0.32 2.76 -1.91 -0.08 115.15 116.18 1u8r h HIS 173 Ca 0.65 0.03 -0.17 0.00 -2.20 0.00 0.00 60.37 58.68 1u8r h HIS 173 Cb 1.71 -0.23 -0.00 0.00 1.55 0.00 0.00 27.41 30.43 1u8r h HIS 173 CO -0.03 0.29 -0.55 -0.24 -1.30 0.00 0.00 177.93 176.09 1u8r h VAL 174 N 0.71 1.31 -0.26 5.26 3.04 -1.01 -2.32 116.25 122.98 1u8r h VAL 174 Ca 0.40 -1.79 0.08 0.00 -1.01 0.00 0.00 66.70 64.37 1u8r h VAL 174 Cb 0.41 1.75 -0.01 0.00 -2.01 0.00 0.00 31.29 31.43 1u8r h VAL 174 CO -0.27 0.56 0.20 1.56 -1.01 0.00 0.00 177.57 178.61 1u8r h GLN 175 N 0.47 0.00 0.61 4.17 4.20 -1.08 -2.59 115.11 120.90 1u8r h GLN 175 Ca 0.01 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 1u8r h GLN 175 Cb 1.11 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.88 1u8r h GLN 175 CO 0.11 0.00 -0.46 0.78 -0.67 0.00 0.00 178.83 178.59 1u8r h GLY 176 N 0.00 -1.25 -7.42 3.46 0.00 -0.48 -3.36 103.07 94.02 1u8r h GLY 176 Ca 0.12 0.54 -0.39 0.00 0.00 0.00 0.00 47.33 47.60 1u8r h GLY 176 CO -0.00 -0.40 1.11 -0.35 0.00 0.00 0.00 176.54 176.90 1u8r s ASP 177 N -4.06 4.98 0.27 0.19 3.68 -0.98 -4.80 116.67 115.94 1u8r s ASP 177 Ca -0.17 0.14 -0.04 0.00 2.13 0.00 0.00 52.55 54.61 1u8r s ASP 177 Cb 0.03 -2.54 0.33 0.00 -1.45 0.00 0.00 42.92 39.29 1u8r s ASP 177 CO 0.55 -2.69 1.93 -0.29 0.13 0.00 0.00 175.17 174.79 1u8r h ILE 178 N 7.19 1.24 -0.95 4.11 2.10 -1.81 -0.58 117.51 128.80 1u8r h ILE 178 Ca -0.13 -0.48 0.03 0.00 1.08 0.00 0.00 64.86 65.36 1u8r h ILE 178 Cb 1.12 -0.06 -0.05 0.00 -1.09 0.00 0.00 36.82 36.73 1u8r h ILE 178 CO 1.19 0.24 0.63 0.44 -1.08 0.00 0.00 178.15 179.57 1u8r h ASP 179 N 1.24 1.05 0.09 2.19 3.32 -1.94 -1.20 116.42 121.16 1u8r h ASP 179 Ca 0.33 -0.01 -0.22 0.00 0.02 0.00 0.00 57.03 57.14 1u8r h ASP 179 Cb -0.10 -0.24 0.02 0.00 0.22 0.00 0.00 39.33 39.23 1u8r h ASP 179 CO -0.07 0.73 -0.91 0.25 -1.72 0.00 0.00 179.24 177.52 1u8r h LEU 180 N 1.22 0.65 -2.23 1.55 5.85 -1.78 -2.71 115.31 117.86 1u8r h LEU 180 Ca 0.37 -0.84 -0.01 0.00 0.84 0.00 0.00 57.88 58.24 1u8r h LEU 180 Cb -0.02 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 40.80 1u8r h LEU 180 CO -0.11 1.42 -0.06 -0.29 -0.34 0.00 0.00 178.44 179.07 1u8r h ILE 181 N -0.03 0.41 0.01 4.05 6.09 -0.91 0.20 117.51 127.32 1u8r h ILE 181 Ca -0.14 -0.29 -0.00 0.00 -1.37 0.00 0.00 64.86 63.06 1u8r h ILE 181 Cb 1.64 1.20 0.00 0.00 0.47 0.00 0.00 36.82 40.13 1u8r h ILE 181 CO 0.18 0.06 -0.00 0.74 -3.07 0.00 0.00 178.15 176.05 1u8r h THR 182 N 0.00 1.60 -0.56 2.19 2.02 -1.21 -3.02 112.91 113.92 1u8r h THR 182 Ca -0.00 -1.91 0.07 0.00 0.77 0.00 0.00 66.41 65.34 1u8r h THR 182 Cb 0.20 2.88 -0.06 0.00 -1.74 0.00 0.00 68.15 69.43 1u8r h THR 182 CO 0.01 0.49 0.23 0.03 0.37 0.00 0.00 175.52 176.65 1u8r h ARG 183 N -0.84 0.43 -0.46 6.66 3.08 -1.09 -0.69 114.38 121.47 1u8r h ARG 183 Ca -0.00 -0.03 0.09 0.00 0.07 0.00 0.00 59.98 60.11 1u8r h ARG 183 Cb 0.81 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.74 1u8r h ARG 183 CO 0.00 0.28 0.31 -0.07 -1.07 0.00 0.00 179.97 179.43 1u8r h LEU 184 N 0.44 0.21 -0.03 3.04 3.38 -1.05 0.12 115.31 121.41 1u8r h LEU 184 Ca 0.27 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.19 1u8r h LEU 184 Cb 0.28 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1u8r h LEU 184 CO -0.25 0.13 -0.18 0.50 0.09 0.00 0.00 178.44 178.73 1u8r h LYS 185 N 0.23 0.17 -0.93 1.13 3.64 -1.04 0.31 116.57 120.08 1u8r h LYS 185 Ca 0.21 -0.15 0.05 0.00 -1.27 0.00 0.00 60.65 59.49 1u8r h LYS 185 Cb 0.53 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.32 1u8r h LYS 185 CO -0.04 0.82 0.61 -0.44 -2.27 0.00 0.00 179.45 178.13 1u8r h ASP 186 N -0.43 0.97 -0.22 4.20 3.45 -0.28 0.90 116.42 125.01 1u8r h ASP 186 Ca -0.02 -0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.44 1u8r h ASP 186 Cb 0.87 -0.21 0.00 0.00 -0.56 0.00 0.00 39.33 39.42 1u8r h ASP 186 CO 0.04 0.65 0.00 0.00 -1.57 0.00 0.00 179.24 178.35 1u8r n ALA 187 N -2.39 2.47 -0.61 3.45 0.00 0.31 -4.90 120.51 118.84 1u8r n ALA 187 Ca 0.13 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1u8r n ALA 187 Cb 0.15 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.61 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 0.86 0.64 3.56 0.00 0.00 0.31 -4.84 105.19 105.72 1u8r n GLY 188 Ca 0.08 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.35 3.31 0.32 1.61 1.01 0.10 -4.84 120.40 119.56 1u8r s VAL 189 Ca 0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 61.98 61.73 1u8r s VAL 189 Cb 0.00 -3.69 -0.01 0.00 0.00 0.00 0.00 36.38 32.68 1u8r s VAL 189 CO 0.00 -0.65 0.41 0.68 0.00 0.00 0.00 175.10 175.54 1u8r s VAL 190 N 11.51 0.00 0.27 2.92 -7.23 -1.26 -4.49 120.40 122.12 1u8r s VAL 190 Ca 0.77 -1.68 -0.29 0.00 -1.81 0.00 0.00 61.98 58.97 1u8r s VAL 190 Cb -0.09 -2.56 -0.14 0.00 0.56 0.00 0.00 36.38 34.15 1u8r s VAL 190 CO 0.03 0.00 1.09 -2.65 -0.31 0.00 0.00 175.10 173.26 1u8r n PRO 191 N -0.53 1.44 -3.22 4.82 -0.02 -1.26 -3.09 135.00 133.13 1u8r n PRO 191 Ca 0.02 0.51 -0.12 0.00 -2.02 0.00 0.00 63.50 61.89 1u8r n PRO 191 Cb 0.62 -1.93 0.05 0.00 -0.02 0.00 0.00 33.50 32.22 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 1.39 -6.89 -3.67 2.55 3.02 0.41 -4.99 115.26 107.09 1u8r n ASN 192 Ca 0.10 -0.55 -0.16 0.00 -0.03 0.00 0.00 54.58 53.94 1u8r n ASN 192 Cb 0.31 -5.12 -0.15 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 -3.28 -0.24 0.06 5.41 0.00 -1.18 -4.97 121.76 117.56 1u8r s ALA 193 Ca 0.33 0.64 -0.30 0.00 0.00 0.00 0.00 51.96 52.62 1u8r s ALA 193 Cb -0.05 -0.84 -0.05 0.00 0.00 0.00 0.00 23.12 22.18 1u8r s ALA 193 CO 0.75 -0.56 1.09 1.03 0.00 0.00 0.00 175.76 178.07 1u8r s ARG 194 N 2.27 4.52 0.14 0.00 0.52 -1.26 -2.12 118.95 123.03 1u8r s ARG 194 Ca 0.02 1.62 -0.24 0.00 -0.52 0.00 0.00 55.73 56.61 1u8r s ARG 194 Cb -0.12 -3.38 0.07 0.00 0.52 0.00 0.00 34.95 32.04 1u8r s ARG 194 CO -0.06 -0.10 0.69 0.54 0.02 0.00 0.00 175.30 176.39 1u8r s VAL 195 N 0.77 0.00 0.02 3.52 0.11 -0.20 -4.78 120.40 119.84 1u8r s VAL 195 Ca 0.54 -0.17 0.05 0.00 -2.93 0.00 0.00 61.98 59.46 1u8r s VAL 195 Cb -0.26 -1.19 -0.03 0.00 -1.53 0.00 0.00 36.38 33.37 1u8r s VAL 195 CO 0.30 0.00 -0.10 0.42 -3.33 0.00 0.00 175.10 172.38 1u8r s THR 196 N -3.63 3.38 0.02 5.04 -4.23 -1.15 -0.41 115.64 114.66 1u8r s THR 196 Ca 0.04 -0.91 0.04 0.00 -1.18 0.00 0.00 61.69 59.67 1u8r s THR 196 Cb -0.02 -2.46 -0.02 0.00 1.34 0.00 0.00 72.50 71.35 1u8r s THR 196 CO -0.09 0.37 -0.12 0.68 -0.54 0.00 0.00 174.62 174.92 1u8r s VAL 197 N -0.98 0.94 -0.02 2.29 -7.23 -0.21 0.41 120.40 115.59 1u8r s VAL 197 Ca 0.17 -0.79 0.01 0.00 -1.81 0.00 0.00 61.98 59.55 1u8r s VAL 197 Cb -0.11 -0.84 0.02 0.00 0.56 0.00 0.00 36.38 36.01 1u8r s VAL 197 CO 0.07 0.05 -0.00 -0.70 -0.31 0.00 0.00 175.10 174.21 1u8r s GLU 198 N -0.84 0.26 0.06 4.82 2.12 -0.43 -1.50 118.70 123.19 1u8r s GLU 198 Ca 0.01 0.04 -0.30 0.00 0.36 0.00 0.00 54.97 55.08 1u8r s GLU 198 Cb -0.07 -0.40 -0.09 0.00 0.26 0.00 0.00 34.13 33.84 1u8r s GLU 198 CO 0.01 -0.09 1.79 0.99 -0.54 0.00 0.00 175.26 177.41 1u8r s THR 199 N 0.76 2.98 0.74 -1.70 2.01 -1.26 -0.95 115.64 118.22 1u8r s THR 199 Ca -0.07 0.28 -0.09 0.00 0.31 0.00 0.00 61.69 62.11 1u8r s THR 199 Cb -0.11 -3.18 0.06 0.00 0.01 0.00 0.00 72.50 69.28 1u8r s THR 199 CO -0.01 -0.01 1.08 0.28 -0.69 0.00 0.00 174.62 175.27 1u8r s THR 200 N 3.38 2.43 0.11 -0.82 -1.32 -1.04 -4.72 115.64 113.67 1u8r s THR 200 Ca 0.80 -0.05 -0.24 0.00 -1.21 0.00 0.00 61.69 60.99 1u8r s THR 200 Cb -0.41 -3.10 -0.08 0.00 -1.51 0.00 0.00 72.50 67.40 1u8r s THR 200 CO 0.35 -0.12 1.68 -0.65 -2.21 0.00 0.00 174.62 173.68 1u8r h PRO 201 N -0.76 -0.23 -2.58 7.08 0.11 -1.95 -3.20 132.00 130.48 1u8r h PRO 201 Ca -0.45 0.02 -0.41 0.00 0.11 0.00 0.00 66.00 65.26 1u8r h PRO 201 Cb 1.31 0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.45 1u8r h PRO 201 CO 0.63 -0.15 1.77 0.41 -0.21 0.00 0.00 178.00 180.45 1u8r n GLY 202 N -1.26 3.51 2.75 -0.55 0.00 -1.26 -4.68 105.19 103.70 1u8r n GLY 202 Ca -0.06 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.69 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 3.09 0.00 0.00 -0.02 0.00 -1.21 -4.54 105.19 102.52 1u8r n GLY 203 Ca 0.58 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.60 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 0.09 -0.81 3.44 -0.02 0.00 -1.26 -4.25 105.19 102.38 1u8r n GLY 204 Ca 0.00 -1.62 -0.13 0.00 0.00 0.00 0.00 46.02 44.27 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 -0.04 -0.00 -0.16 1.61 1.01 -0.78 -2.49 120.40 119.55 1u8r s VAL 205 Ca 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 61.98 61.98 1u8r s VAL 205 Cb 0.00 -0.76 -0.01 0.00 0.00 0.00 0.00 36.38 35.61 1u8r s VAL 205 CO 0.00 0.00 -0.11 -0.89 0.00 0.00 0.00 175.10 174.10 1u8r s THR 206 N 0.49 3.06 -0.21 3.92 2.01 -0.12 -0.44 115.64 124.33 1u8r s THR 206 Ca -0.02 -0.64 -0.09 0.00 0.31 0.00 0.00 61.69 61.25 1u8r s THR 206 Cb -0.04 -2.31 -0.05 0.00 0.01 0.00 0.00 72.50 70.11 1u8r s THR 206 CO -0.02 0.50 0.12 -0.63 -0.69 0.00 0.00 174.62 173.90 1u8r s ILE 207 N 0.71 5.17 -0.41 1.82 1.01 0.58 -1.31 121.20 128.78 1u8r s ILE 207 Ca -0.05 0.11 -0.09 0.00 0.00 0.00 0.00 60.65 60.62 1u8r s ILE 207 Cb -0.15 -3.38 0.07 0.00 0.01 0.00 0.00 42.46 39.02 1u8r s ILE 207 CO 0.02 0.40 0.23 -0.69 0.00 0.00 0.00 174.94 174.91 1u8r s VAL 208 N 0.70 4.13 -0.28 2.92 1.01 0.17 -2.18 120.40 126.87 1u8r s VAL 208 Ca 0.06 -1.38 -0.15 0.00 0.00 0.00 0.00 61.98 60.52 1u8r s VAL 208 Cb -0.13 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 1u8r s VAL 208 CO 0.01 -0.46 0.36 -0.63 0.00 0.00 0.00 175.10 174.38 1u8r s ILE 209 N 1.41 5.18 -0.37 2.22 1.09 -1.26 -2.93 121.20 126.54 1u8r s ILE 209 Ca 0.03 0.49 -0.27 0.00 -1.10 0.00 0.00 60.65 59.79 1u8r s ILE 209 Cb -0.22 -3.70 -0.06 0.00 -1.06 0.00 0.00 42.46 37.42 1u8r s ILE 209 CO 0.02 0.14 2.27 -2.16 -0.10 0.00 0.00 174.94 175.11 1u8r s PRO 210 N 2.04 2.63 0.00 2.79 0.04 -1.26 -2.07 135.00 139.17 1u8r s PRO 210 Ca 0.14 1.64 0.00 0.00 0.04 0.00 0.00 61.00 62.82 1u8r s PRO 210 Cb -0.16 -4.46 0.00 0.00 0.04 0.00 0.00 34.50 29.92 1u8r s PRO 210 CO 0.10 -2.67 0.00 0.41 0.04 0.00 0.00 177.00 174.88 1u8r n GLY 211 N 5.86 2.03 3.56 0.56 0.00 -1.26 -5.09 105.19 110.84 1u8r n GLY 211 Ca 0.32 -0.71 -0.24 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.39 2.49 0.86 1.61 3.76 -0.88 -5.11 115.29 117.64 1u8r s HIS 212 Ca 0.00 -0.28 -0.16 0.00 -0.15 0.00 0.00 55.06 54.48 1u8r s HIS 212 Cb 0.00 -1.10 -0.08 0.00 1.11 0.00 0.00 32.58 32.51 1u8r s HIS 212 CO 0.00 0.67 -0.15 0.39 -0.85 0.00 0.00 174.74 174.80 1u8r n GLU 213 N -0.73 -0.01 -1.67 1.40 -0.58 -1.26 -4.32 120.64 113.47 1u8r n GLU 213 Ca -0.06 0.02 -0.30 0.00 -0.42 0.00 0.00 57.16 56.40 1u8r n GLU 213 Cb 0.59 -1.37 0.07 0.00 -0.57 0.00 0.00 31.44 30.16 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 -1.34 5.02 -0.06 1.62 0.01 -1.26 -4.55 114.94 114.37 1u8r s ASN 214 Ca 0.52 1.31 -0.03 0.00 -0.71 0.00 0.00 52.86 53.95 1u8r s ASN 214 Cb -0.27 -2.11 0.04 0.00 0.41 0.00 0.00 41.25 39.32 1u8r s ASN 214 CO 0.72 -1.64 0.12 0.54 -1.51 0.00 0.00 177.10 175.33 1u8r s VAL 215 N -3.20 -0.16 -0.12 1.60 0.11 -0.93 -5.02 120.40 112.69 1u8r s VAL 215 Ca 0.59 0.32 -0.02 0.00 -2.93 0.00 0.00 61.98 59.94 1u8r s VAL 215 Cb -0.13 -0.23 -0.03 0.00 -1.53 0.00 0.00 36.38 34.46 1u8r s VAL 215 CO 0.54 0.13 -0.04 -0.89 -3.33 0.00 0.00 175.10 171.51 1u8r s THR 216 N 1.89 3.88 -0.09 5.04 2.01 -1.26 -0.30 115.64 126.80 1u8r s THR 216 Ca -0.01 -0.38 -0.00 0.00 0.31 0.00 0.00 61.69 61.61 1u8r s THR 216 Cb -0.12 -2.66 -0.03 0.00 0.01 0.00 0.00 72.50 69.70 1u8r s THR 216 CO -0.05 0.54 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.60 1u8r s LEU 217 N -0.11 3.24 0.84 4.42 1.43 0.41 -4.99 118.68 123.91 1u8r s LEU 217 Ca 0.02 -0.02 -0.11 0.00 -1.03 0.00 0.00 54.13 52.99 1u8r s LEU 217 Cb -0.13 -1.72 0.09 0.00 0.03 0.00 0.00 46.19 44.46 1u8r s LEU 217 CO 0.03 0.33 1.09 -2.84 0.23 0.00 0.00 176.35 175.19 1u8r s PRO 218 N -0.61 1.74 0.29 1.29 0.02 -1.26 -1.86 135.00 134.63 1u8r s PRO 218 Ca 0.09 1.00 0.05 0.00 0.02 0.00 0.00 61.00 62.16 1u8r s PRO 218 Cb -0.12 -1.85 0.73 0.00 0.02 0.00 0.00 34.50 33.28 1u8r s PRO 218 CO 0.02 -1.95 1.74 1.25 -0.33 0.00 0.00 177.00 177.72 1u8r h HIS 219 N -1.35 0.88 0.03 6.54 -0.00 -1.80 -0.46 115.15 119.00 1u8r h HIS 219 Ca -0.46 0.04 -0.00 0.00 -0.00 0.00 0.00 60.37 59.94 1u8r h HIS 219 Cb 1.26 -0.25 0.00 0.00 -0.00 0.00 0.00 27.41 28.42 1u8r h HIS 219 CO 0.50 0.11 -0.01 1.05 -0.00 0.00 0.00 177.93 179.58 1u8r h GLU 220 N 0.59 -0.04 -0.38 5.26 4.11 -1.91 -2.37 114.58 119.84 1u8r h GLU 220 Ca 0.57 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.98 1u8r h GLU 220 Cb 0.97 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.21 1u8r h GLU 220 CO -0.44 0.10 0.14 0.52 0.07 0.00 0.00 179.01 179.40 1u8r h MET 221 N -0.17 0.54 -0.56 1.06 2.86 -1.72 -1.88 114.93 115.07 1u8r h MET 221 Ca -0.00 -0.07 -0.03 0.00 -2.06 0.00 0.00 59.70 57.53 1u8r h MET 221 Cb 0.16 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.69 1u8r h MET 221 CO 0.01 0.46 0.22 0.00 1.06 0.00 0.00 176.91 178.65 1u8r h ALA 222 N 1.62 1.33 -0.03 6.32 0.00 -0.86 -0.47 119.26 127.18 1u8r h ALA 222 Ca 0.13 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1u8r h ALA 222 Cb 0.13 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1u8r h ALA 222 CO -0.01 0.50 0.07 0.45 0.00 0.00 0.00 179.25 180.25 1u8r h HIS 223 N 0.80 0.00 -0.49 0.00 -0.00 -0.81 -2.36 115.15 112.29 1u8r h HIS 223 Ca 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.56 1u8r h HIS 223 Cb 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.58 1u8r h HIS 223 CO 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 177.93 177.94 1u8r n ALA 224 N -2.17 3.68 -3.84 2.45 0.00 -0.18 -4.68 120.51 115.77 1u8r n ALA 224 Ca -0.02 -1.62 -0.25 0.00 0.00 0.00 0.00 53.44 51.55 1u8r n ALA 224 Cb 0.14 -1.11 -0.17 0.00 0.00 0.00 0.00 19.45 18.31 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 -2.49 0.69 -0.06 0.00 1.01 -0.89 -2.08 120.40 116.59 1u8r s VAL 225 Ca 0.46 -0.08 -0.03 0.00 0.00 0.00 0.00 61.98 62.34 1u8r s VAL 225 Cb 0.35 -0.78 -0.04 0.00 0.00 0.00 0.00 36.38 35.91 1u8r s VAL 225 CO 0.14 0.31 0.07 -0.54 0.00 0.00 0.00 175.10 175.08 1u8r s LYS 226 N 1.85 3.14 0.24 2.72 1.02 -1.04 -1.47 119.74 126.20 1u8r s LYS 226 Ca 0.05 -0.37 0.01 0.00 0.02 0.00 0.00 55.97 55.69 1u8r s LYS 226 Cb -0.12 -2.93 -0.04 0.00 -0.52 0.00 0.00 37.83 34.22 1u8r s LYS 226 CO -0.07 0.70 0.17 0.14 -0.92 0.00 0.00 175.35 175.37 1u8r s VAL 227 N -1.06 0.01 -0.13 3.17 -7.23 0.56 -1.91 120.40 113.80 1u8r s VAL 227 Ca 0.18 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.38 1u8r s VAL 227 Cb -0.12 -2.50 0.01 0.00 0.56 0.00 0.00 36.38 34.33 1u8r s VAL 227 CO 0.08 0.00 -0.22 -0.70 -0.31 0.00 0.00 175.10 173.95 1u8r s GLU 228 N -3.97 3.03 -0.57 4.82 2.12 -0.88 -0.52 118.70 122.73 1u8r s GLU 228 Ca 0.39 -0.86 -0.26 0.00 0.36 0.00 0.00 54.97 54.60 1u8r s GLU 228 Cb 0.06 -2.41 -0.04 0.00 0.26 0.00 0.00 34.13 32.00 1u8r s GLU 228 CO 0.16 0.02 2.07 0.15 -0.54 0.00 0.00 175.26 177.12 1u8r s LYS 229 N 0.73 2.42 0.00 4.30 1.02 -1.26 -1.70 119.74 125.25 1u8r s LYS 229 Ca -0.09 0.90 0.00 0.00 0.02 0.00 0.00 55.97 56.80 1u8r s LYS 229 Cb -0.16 -4.46 0.00 0.00 -0.52 0.00 0.00 37.83 32.69 1u8r s LYS 229 CO 0.00 -2.94 0.00 0.28 -0.92 0.00 0.00 175.35 171.77