#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xrh s SER 3 N 0.00 4.54 -0.04 -3.46 0.01 -1.16 -4.99 113.70 108.61 1xrh s SER 3 Ca 0.00 -0.89 0.03 0.00 1.31 0.00 0.00 55.95 56.40 1xrh s SER 3 Cb 0.00 -0.63 0.00 0.00 0.21 0.00 0.00 66.02 65.61 1xrh s SER 3 CO 0.00 -0.36 -0.11 -0.54 0.41 0.00 0.00 173.24 172.64 1xrh s LYS 4 N -3.85 1.23 0.08 12.44 1.02 -1.26 -1.13 119.74 128.28 1xrh s LYS 4 Ca 0.38 -0.37 0.03 0.00 0.02 0.00 0.00 55.97 56.03 1xrh s LYS 4 Cb -0.01 -1.11 -0.03 0.00 -0.52 0.00 0.00 37.83 36.16 1xrh s LYS 4 CO 0.22 0.12 -0.09 0.96 -0.92 0.00 0.00 175.35 175.63 1xrh s ILE 5 N 0.28 0.83 0.58 2.17 -4.36 0.76 -4.85 121.20 116.61 1xrh s ILE 5 Ca -0.06 -1.52 -0.18 0.00 -0.26 0.00 0.00 60.65 58.63 1xrh s ILE 5 Cb -0.11 -1.21 -0.04 0.00 1.25 0.00 0.00 42.46 42.35 1xrh s ILE 5 CO 0.01 -0.53 1.14 -0.94 0.24 0.00 0.00 174.94 174.86 1xrh s SER 6 N -2.27 5.50 0.27 4.36 1.04 -1.26 0.09 113.70 121.43 1xrh s SER 6 Ca 0.02 2.17 -0.00 0.00 0.48 0.00 0.00 55.95 58.62 1xrh s SER 6 Cb -0.04 -2.58 0.54 0.00 0.10 0.00 0.00 66.02 64.04 1xrh s SER 6 CO -0.00 -1.37 1.78 0.03 0.98 0.00 0.00 173.24 174.66 1xrh h ARG 7 N 0.90 0.71 -0.15 4.02 3.08 -1.94 -0.07 114.38 120.92 1xrh h ARG 7 Ca -0.49 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 59.48 1xrh h ARG 7 Cb 1.26 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 31.15 1xrh h ARG 7 CO 0.56 0.47 -0.03 0.93 -1.07 0.00 0.00 179.97 180.83 1xrh h GLU 8 N 0.73 0.29 -0.45 0.04 3.07 -1.98 0.11 114.58 116.38 1xrh h GLU 8 Ca 0.47 -0.11 -0.03 0.00 -0.50 0.00 0.00 59.36 59.19 1xrh h GLU 8 Cb 0.60 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.48 1xrh h GLU 8 CO -0.33 0.56 0.15 1.15 -1.40 0.00 0.00 179.01 179.14 1xrh h THR 9 N -0.00 1.22 -0.62 1.13 2.02 -1.81 -1.47 112.91 113.37 1xrh h THR 9 Ca 0.04 -0.71 -0.01 0.00 0.77 0.00 0.00 66.41 66.51 1xrh h THR 9 Cb 0.45 0.84 -0.03 0.00 -1.74 0.00 0.00 68.15 67.67 1xrh h THR 9 CO 0.01 0.26 0.37 0.25 0.37 0.00 0.00 175.52 176.78 1xrh h LEU 10 N 0.58 0.75 -0.37 2.58 5.85 -0.92 -1.11 115.31 122.67 1xrh h LEU 10 Ca 0.15 -0.07 0.06 0.00 0.84 0.00 0.00 57.88 58.86 1xrh h LEU 10 Cb 0.25 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.03 1xrh h LEU 10 CO -0.01 0.60 0.06 -0.74 -0.34 0.00 0.00 178.44 178.01 1xrh h HIS 11 N 0.84 0.09 -0.67 1.25 2.76 -0.45 -1.88 115.15 117.09 1xrh h HIS 11 Ca 0.22 0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 58.33 1xrh h HIS 11 Cb -0.01 0.02 -0.03 0.00 1.55 0.00 0.00 27.41 28.95 1xrh h HIS 11 CO -0.02 -0.01 0.09 1.96 -1.30 0.00 0.00 177.93 178.65 1xrh h GLN 12 N 0.17 1.12 -0.51 5.26 1.08 -0.80 -0.54 115.11 120.89 1xrh h GLN 12 Ca 0.18 -0.31 0.01 0.00 -1.45 0.00 0.00 58.65 57.07 1xrh h GLN 12 Cb 0.22 -0.12 -0.03 0.00 -0.05 0.00 0.00 27.48 27.50 1xrh h GLN 12 CO -0.25 1.03 0.34 -0.07 -0.95 0.00 0.00 178.83 178.93 1xrh h LEU 13 N 1.04 0.58 -0.22 1.46 3.38 -0.84 0.37 115.31 121.08 1xrh h LEU 13 Ca 0.20 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.11 1xrh h LEU 13 Cb 0.47 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1xrh h LEU 13 CO 0.02 0.42 -0.04 0.40 0.09 0.00 0.00 178.44 179.32 1xrh h ILE 14 N 0.69 1.28 0.03 1.22 2.04 -1.20 -1.32 117.51 120.26 1xrh h ILE 14 Ca 0.19 -1.02 -0.00 0.00 1.00 0.00 0.00 64.86 65.02 1xrh h ILE 14 Cb -0.08 1.51 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 1xrh h ILE 14 CO -0.04 0.31 -0.02 -0.08 0.00 0.00 0.00 178.15 178.33 1xrh h GLU 15 N 0.15 -0.04 -0.41 2.37 4.81 -0.87 -1.07 114.58 119.51 1xrh h GLU 15 Ca 0.06 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.32 1xrh h GLU 15 Cb 0.49 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.85 1xrh h GLU 15 CO 0.02 -0.03 0.21 -0.91 -0.73 0.00 0.00 179.01 177.57 1xrh h ASN 16 N -0.04 0.31 -0.50 1.04 2.35 -0.20 -1.59 115.58 116.95 1xrh h ASN 16 Ca -0.00 0.02 0.08 0.00 -0.55 0.00 0.00 56.30 55.85 1xrh h ASN 16 Cb 0.03 -0.04 -0.07 0.00 0.05 0.00 0.00 38.32 38.30 1xrh h ASN 16 CO 0.01 0.22 0.12 0.50 -1.65 0.00 0.00 177.43 176.63 1xrh h LYS 17 N 0.42 0.26 0.00 0.81 1.63 -0.86 0.09 116.57 118.93 1xrh h LYS 17 Ca 0.18 -0.02 -0.06 0.00 -0.85 0.00 0.00 60.65 59.90 1xrh h LYS 17 Cb 0.08 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.64 1xrh h LYS 17 CO -0.12 0.17 -0.28 -0.07 -3.45 0.00 0.00 179.45 175.70 1xrh h LEU 18 N 0.27 0.00 0.24 5.20 4.07 -0.85 -1.75 115.31 122.49 1xrh h LEU 18 Ca 0.25 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.20 1xrh h LEU 18 Cb 0.32 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.06 1xrh h LEU 18 CO -0.30 0.28 -0.11 0.00 -1.08 0.00 0.00 178.44 177.23 1xrh h GLN 20 N -0.89 0.02 -0.00 0.00 4.15 -0.85 0.87 115.11 118.42 1xrh h GLN 20 Ca -0.03 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.39 1xrh h GLN 20 Cb 0.51 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.19 1xrh h GLN 20 CO 0.05 0.01 -0.28 0.00 -1.93 0.00 0.00 178.83 176.69 1xrh n ALA 21 N -2.71 3.01 0.00 3.38 0.00 -0.67 -4.95 120.51 118.56 1xrh n ALA 21 Ca 0.20 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1xrh n ALA 21 Cb 1.00 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 19.17 1xrh n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xrh n GLY 22 N 1.49 1.26 3.74 0.00 0.00 0.30 -3.49 105.19 108.49 1xrh n GLY 22 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 1xrh n GLY 22 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xrh s LEU 23 N 0.00 3.46 0.62 0.99 1.43 -0.90 -4.93 118.68 119.35 1xrh s LEU 23 Ca 0.00 2.37 -0.18 0.00 -1.03 0.00 0.00 54.13 55.30 1xrh s LEU 23 Cb 0.00 -4.59 -0.02 0.00 0.03 0.00 0.00 46.19 41.61 1xrh s LEU 23 CO 0.00 -1.98 1.20 -0.54 0.23 0.00 0.00 176.35 175.26 1xrh s LYS 24 N -3.68 2.83 0.33 1.70 1.02 -1.26 -4.43 119.74 116.23 1xrh s LYS 24 Ca 0.76 1.78 0.01 0.00 0.02 0.00 0.00 55.97 58.53 1xrh s LYS 24 Cb -0.30 -1.92 0.56 0.00 -0.52 0.00 0.00 37.83 35.66 1xrh s LYS 24 CO 0.41 -1.31 1.98 -0.09 -0.92 0.00 0.00 175.35 175.42 1xrh h ARG 25 N 0.63 0.94 -0.69 1.68 2.43 -1.95 -1.00 114.38 116.41 1xrh h ARG 25 Ca -0.50 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 58.61 1xrh h ARG 25 Cb 1.29 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 30.60 1xrh h ARG 25 CO 0.54 0.62 0.41 1.49 -1.51 0.00 0.00 179.97 181.53 1xrh h GLU 26 N 0.96 0.94 -0.03 0.20 4.81 -2.00 -0.42 114.58 119.04 1xrh h GLU 26 Ca 0.28 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.41 1xrh h GLU 26 Cb -0.06 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.13 1xrh h GLU 26 CO -0.07 0.66 -0.04 0.45 -0.73 0.00 0.00 179.01 179.28 1xrh h HIS 27 N 0.96 0.10 -0.95 0.92 3.86 -1.59 -2.90 115.15 115.54 1xrh h HIS 27 Ca 0.25 -0.03 0.14 0.00 -1.16 0.00 0.00 60.37 59.57 1xrh h HIS 27 Cb -0.03 -0.02 -0.09 0.00 1.06 0.00 0.00 27.41 28.33 1xrh h HIS 27 CO 0.00 0.59 0.57 0.00 0.86 0.00 0.00 177.93 179.96 1xrh h ALA 28 N 0.49 1.47 -0.27 2.45 0.00 -0.89 -1.05 119.26 121.45 1xrh h ALA 28 Ca 0.00 0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.83 1xrh h ALA 28 Cb 0.58 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1xrh h ALA 28 CO 0.01 0.08 -0.39 0.00 0.00 0.00 0.00 179.25 178.94 1xrh h ALA 29 N 1.56 0.80 -0.25 0.00 0.00 -1.14 -1.10 119.26 119.13 1xrh h ALA 29 Ca 0.50 -0.44 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1xrh h ALA 29 Cb 0.61 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1xrh h ALA 29 CO -0.31 0.65 -0.15 1.15 0.00 0.00 0.00 179.25 180.59 1xrh h THR 30 N 0.53 1.31 -0.46 0.00 2.02 -1.02 -1.54 112.91 113.74 1xrh h THR 30 Ca 0.05 -1.25 0.06 0.00 0.77 0.00 0.00 66.41 66.03 1xrh h THR 30 Cb 0.91 1.59 -0.05 0.00 -1.74 0.00 0.00 68.15 68.87 1xrh h THR 30 CO 0.08 0.39 0.17 0.58 0.37 0.00 0.00 175.52 177.11 1xrh h VAL 31 N 0.25 0.86 -0.37 3.16 2.07 -1.12 -2.17 116.25 118.93 1xrh h VAL 31 Ca 0.05 -0.12 0.05 0.00 0.82 0.00 0.00 66.70 67.51 1xrh h VAL 31 Cb 0.67 0.49 -0.05 0.00 -1.52 0.00 0.00 31.29 30.88 1xrh h VAL 31 CO 0.04 0.06 0.09 0.00 0.02 0.00 0.00 177.57 177.78 1xrh h ALA 32 N 1.30 0.41 -0.69 1.67 0.00 -1.09 -1.11 119.26 119.73 1xrh h ALA 32 Ca 0.22 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 1xrh h ALA 32 Cb 0.21 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1xrh h ALA 32 CO -0.22 -0.31 0.43 1.49 0.00 0.00 0.00 179.25 180.64 1xrh h GLU 33 N 0.22 0.94 -0.03 0.00 4.81 -0.73 0.09 114.58 119.88 1xrh h GLU 33 Ca 0.18 -0.08 -0.07 0.00 -0.13 0.00 0.00 59.36 59.25 1xrh h GLU 33 Cb 0.19 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 1xrh h GLU 33 CO -0.22 0.66 -0.31 0.28 -0.73 0.00 0.00 179.01 178.69 1xrh h VAL 34 N 0.95 1.24 -0.10 0.32 2.07 -1.03 -1.16 116.25 118.54 1xrh h VAL 34 Ca 0.25 -1.13 -0.21 0.00 0.82 0.00 0.00 66.70 66.43 1xrh h VAL 34 Cb -0.04 1.57 0.01 0.00 -1.52 0.00 0.00 31.29 31.31 1xrh h VAL 34 CO -0.05 0.33 -0.76 -0.07 0.02 0.00 0.00 177.57 177.04 1xrh h LEU 35 N 0.04 0.84 -1.19 2.57 3.38 -0.19 -2.78 115.31 117.98 1xrh h LEU 35 Ca 0.00 -0.67 -0.03 0.00 0.09 0.00 0.00 57.88 57.28 1xrh h LEU 35 Cb 0.58 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 1xrh h LEU 35 CO 0.04 1.38 0.20 0.58 0.09 0.00 0.00 178.44 180.72 1xrh h VAL 36 N 0.36 1.20 0.09 1.22 2.07 -0.85 -1.66 116.25 118.68 1xrh h VAL 36 Ca -0.07 -0.64 0.01 0.00 0.82 0.00 0.00 66.70 66.82 1xrh h VAL 36 Cb 1.41 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 1xrh h VAL 36 CO 0.15 0.25 -0.10 0.22 0.02 0.00 0.00 177.57 178.11 1xrh h TYR 37 N 0.75 -0.26 0.09 1.57 3.20 -1.15 -0.30 116.97 120.89 1xrh h TYR 37 Ca 0.18 0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.07 1xrh h TYR 37 Cb 0.17 0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.51 1xrh h TYR 37 CO 0.01 -0.16 -0.23 0.00 -1.64 0.00 0.00 178.16 176.14 1xrh h ALA 38 N 0.68 -0.37 -1.01 1.82 0.00 -1.05 -2.17 119.26 117.16 1xrh h ALA 38 Ca 0.01 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.95 1xrh h ALA 38 Cb 0.22 0.38 -0.07 0.00 0.00 0.00 0.00 17.79 18.32 1xrh h ALA 38 CO -0.04 -0.76 0.65 -0.44 0.00 0.00 0.00 179.25 178.67 1xrh h ASP 39 N -0.41 1.05 0.45 0.00 3.32 -1.19 0.06 116.42 119.70 1xrh h ASP 39 Ca 0.04 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.06 1xrh h ASP 39 Cb 0.45 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 1xrh h ASP 39 CO -0.15 0.67 -0.18 0.00 -1.72 0.00 0.00 179.24 177.87 1xrh h ALA 40 N 1.45 1.28 -0.31 3.45 0.00 -0.56 -1.63 119.26 122.93 1xrh h ALA 40 Ca 0.43 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1xrh h ALA 40 Cb 0.15 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1xrh h ALA 40 CO -0.17 0.22 0.00 0.54 0.00 0.00 0.00 179.25 179.84 1xrh n ARG 41 N -3.70 1.94 -0.74 0.00 1.74 -0.36 -2.37 116.66 113.17 1xrh n ARG 41 Ca -0.02 -1.44 0.00 0.00 -0.77 0.00 0.00 57.85 55.62 1xrh n ARG 41 Cb 0.29 -1.38 0.00 0.00 -1.02 0.00 0.00 32.46 30.35 1xrh n ARG 41 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xrh n GLY 42 N 1.20 0.70 2.68 -0.13 0.00 -0.61 -4.65 105.19 104.38 1xrh n GLY 42 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1xrh n GLY 42 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1xrh n ILE 43 N -2.51 5.04 0.27 -0.61 5.41 -0.13 -4.79 119.36 122.04 1xrh n ILE 43 Ca 0.00 -4.68 0.10 0.00 1.00 0.00 0.00 62.75 59.17 1xrh n ILE 43 Cb 0.00 -2.12 0.70 0.00 -0.71 0.00 0.00 39.64 37.51 1xrh n ILE 43 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 176.55 177.00 1xrh h HIS 44 N 5.03 0.00 -0.15 1.39 3.86 -1.87 -1.84 115.15 121.56 1xrh h HIS 44 Ca 0.53 0.00 0.04 0.00 -1.16 0.00 0.00 60.37 59.79 1xrh h HIS 44 Cb 0.44 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.91 1xrh h HIS 44 CO 1.40 0.01 0.20 0.66 0.86 0.00 0.00 177.93 181.07 1xrh h SER 45 N 0.00 0.00 -0.24 2.45 4.64 -1.95 -0.78 113.55 117.67 1xrh h SER 45 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xrh h SER 45 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1xrh h SER 45 CO 0.00 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.37 1xrh n HIS 46 N -3.62 0.45 0.00 4.77 -0.00 -0.70 -4.74 115.22 111.38 1xrh n HIS 46 Ca 0.01 -0.61 0.00 0.00 -0.00 0.00 0.00 57.72 57.12 1xrh n HIS 46 Cb 0.31 -0.10 0.00 0.00 -0.00 0.00 0.00 29.99 30.20 1xrh n HIS 46 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1xrh n GLY 47 N -0.02 1.46 0.25 -1.41 0.00 -0.30 -4.62 105.19 100.56 1xrh n GLY 47 Ca 0.12 -1.34 0.17 0.00 0.00 0.00 0.00 46.02 44.97 1xrh n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xrh h ALA 48 N -1.24 1.00 0.00 4.61 0.00 -1.79 -2.74 119.26 119.09 1xrh h ALA 48 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1xrh h ALA 48 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1xrh h ALA 48 CO 0.00 0.00 -0.03 -0.24 0.00 0.00 0.00 179.25 178.98 1xrh h VAL 49 N 0.00 0.81 0.00 0.00 3.04 -1.92 -1.90 116.25 116.28 1xrh h VAL 49 Ca 0.00 -0.13 0.00 0.00 -1.01 0.00 0.00 66.70 65.56 1xrh h VAL 49 Cb 0.31 1.07 0.00 0.00 -2.01 0.00 0.00 31.29 30.66 1xrh h VAL 49 CO 0.00 0.03 -0.05 0.54 -1.01 0.00 0.00 177.57 177.09 1xrh n ARG 50 N -4.19 0.17 -0.33 4.17 5.12 -1.03 -4.26 116.66 116.31 1xrh n ARG 50 Ca -0.03 0.13 0.04 0.00 -1.93 0.00 0.00 57.85 56.07 1xrh n ARG 50 Cb 0.12 -1.69 0.19 0.00 -1.16 0.00 0.00 32.46 29.92 1xrh n ARG 50 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1xrh h VAL 51 N 0.00 0.95 -0.06 1.55 2.07 -1.50 -0.87 116.25 118.39 1xrh h VAL 51 Ca 0.00 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 67.19 1xrh h VAL 51 Cb 0.66 -0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.35 1xrh h VAL 51 CO 0.00 0.17 0.03 -0.08 0.02 0.00 0.00 177.57 177.71 1xrh h GLU 52 N 0.94 0.09 -0.57 1.57 4.81 -1.79 0.17 114.58 119.80 1xrh h GLU 52 Ca 0.44 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.65 1xrh h GLU 52 Cb 0.36 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.70 1xrh h GLU 52 CO -0.24 0.17 0.33 -0.92 -0.73 0.00 0.00 179.01 177.62 1xrh h TYR 53 N -0.02 0.78 -0.61 0.92 3.20 -1.79 -1.24 116.97 118.21 1xrh h TYR 53 Ca 0.02 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.91 1xrh h TYR 53 Cb 0.11 -0.25 -0.04 0.00 1.54 0.00 0.00 36.73 38.09 1xrh h TYR 53 CO -0.04 0.55 0.37 1.88 -1.64 0.00 0.00 178.16 179.29 1xrh h TYR 54 N 0.77 0.69 -0.79 -3.82 0.05 -0.77 -1.72 116.97 111.38 1xrh h TYR 54 Ca 0.20 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.99 1xrh h TYR 54 Cb 0.02 -0.22 -0.04 0.00 1.01 0.00 0.00 36.73 37.50 1xrh h TYR 54 CO -0.02 0.39 0.45 0.00 -1.05 0.00 0.00 178.16 177.93 1xrh h ALA 55 N 1.27 1.01 -0.53 3.88 0.00 -0.30 0.58 119.26 125.18 1xrh h ALA 55 Ca 0.25 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1xrh h ALA 55 Cb 0.04 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 1xrh h ALA 55 CO -0.11 0.51 0.30 1.49 0.00 0.00 0.00 179.25 181.44 1xrh h GLU 56 N 1.09 0.74 -0.28 0.00 4.81 -0.89 0.19 114.58 120.24 1xrh h GLU 56 Ca 0.28 -0.08 -0.10 0.00 -0.13 0.00 0.00 59.36 59.33 1xrh h GLU 56 Cb 0.01 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 1xrh h GLU 56 CO -0.05 0.56 -0.20 -0.09 -0.73 0.00 0.00 179.01 178.50 1xrh h ARG 57 N 0.71 0.63 -0.29 1.92 2.43 -0.67 -1.61 114.38 117.51 1xrh h ARG 57 Ca 0.19 -0.31 0.01 0.00 -0.81 0.00 0.00 59.98 59.06 1xrh h ARG 57 Cb 0.03 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 1xrh h ARG 57 CO -0.03 0.90 0.19 0.82 -1.51 0.00 0.00 179.97 180.33 1xrh h ILE 58 N 0.37 1.06 -0.93 1.20 2.04 -0.79 -0.28 117.51 120.19 1xrh h ILE 58 Ca 0.05 -0.13 0.13 0.00 1.00 0.00 0.00 64.86 65.91 1xrh h ILE 58 Cb 0.75 0.65 -0.07 0.00 -0.74 0.00 0.00 36.82 37.40 1xrh h ILE 58 CO 0.05 0.07 0.59 -1.28 0.00 0.00 0.00 178.15 177.59 1xrh h SER 59 N 0.38 0.78 -0.48 1.72 0.87 -0.85 -1.42 113.55 114.56 1xrh h SER 59 Ca 0.11 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 1xrh h SER 59 Cb -0.03 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 61.81 1xrh h SER 59 CO -0.03 0.41 0.00 0.29 -0.53 0.00 0.00 176.83 176.97 1xrh n LYS 60 N -4.58 2.15 -0.96 2.24 5.02 -0.61 -4.92 118.16 116.49 1xrh n LYS 60 Ca 0.18 -1.78 0.00 0.00 -2.02 0.00 0.00 58.31 54.68 1xrh n LYS 60 Cb 0.40 -1.39 0.00 0.00 -0.02 0.00 0.00 35.03 34.01 1xrh n LYS 60 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xrh n GLY 61 N 1.30 0.80 0.00 0.72 0.00 -0.53 -4.31 105.19 103.16 1xrh n GLY 61 Ca 0.17 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.30 1xrh n GLY 61 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xrh n GLY 62 N -2.38 -1.04 3.06 -0.02 0.00 -0.16 -4.49 105.19 100.16 1xrh n GLY 62 Ca 0.00 -0.10 -0.26 0.00 0.00 0.00 0.00 46.02 45.67 1xrh n GLY 62 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xrh s THR 63 N -2.63 1.28 -0.12 2.61 2.01 -1.24 -3.51 115.64 114.04 1xrh s THR 63 Ca 0.19 -0.58 -0.29 0.00 0.31 0.00 0.00 61.69 61.32 1xrh s THR 63 Cb 0.15 -1.14 -0.03 0.00 0.01 0.00 0.00 72.50 71.49 1xrh s THR 63 CO 0.34 0.38 1.36 0.21 -0.69 0.00 0.00 174.62 176.22 1xrh s ASN 64 N 0.50 6.88 0.01 3.53 3.84 0.66 -4.79 114.94 125.57 1xrh s ASN 64 Ca -0.13 1.86 0.25 0.00 0.21 0.00 0.00 52.86 55.05 1xrh s ASN 64 Cb -0.15 -2.54 0.51 0.00 -0.55 0.00 0.00 41.25 38.52 1xrh s ASN 64 CO 0.04 -0.79 1.42 -2.11 -2.79 0.00 0.00 177.10 172.87 1xrh n ARG 65 N 6.56 0.02 -3.18 0.43 1.85 -1.26 -4.19 116.66 116.90 1xrh n ARG 65 Ca 0.14 0.00 -0.22 0.00 -1.00 0.00 0.00 57.85 56.77 1xrh n ARG 65 Cb 0.44 -1.51 -0.05 0.00 -1.05 0.00 0.00 32.46 30.29 1xrh n ARG 65 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 1xrh n GLU 66 N -1.54 1.46 -2.20 2.89 -0.58 -1.26 -4.54 120.64 114.87 1xrh n GLU 66 Ca 0.05 -3.74 -0.38 0.00 -0.42 0.00 0.00 57.16 52.67 1xrh n GLU 66 Cb 0.34 -1.71 -0.01 0.00 -0.57 0.00 0.00 31.44 29.49 1xrh n GLU 66 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1xrh s PRO 67 N -2.22 3.90 -0.73 3.49 0.04 -1.26 -4.98 135.00 133.24 1xrh s PRO 67 Ca 0.40 1.91 -0.09 0.00 0.04 0.00 0.00 61.00 63.26 1xrh s PRO 67 Cb 0.26 -2.59 0.19 0.00 0.04 0.00 0.00 34.50 32.40 1xrh s PRO 67 CO -0.09 -0.47 0.61 -1.21 0.04 0.00 0.00 177.00 175.88 1xrh s GLU 68 N -2.44 3.12 0.46 4.56 8.01 -1.26 -5.05 118.70 126.10 1xrh s GLU 68 Ca 0.60 -2.47 -0.22 0.00 0.01 0.00 0.00 54.97 52.89 1xrh s GLU 68 Cb -0.32 -4.11 -0.08 0.00 -4.31 0.00 0.00 34.13 25.30 1xrh s GLU 68 CO 0.40 -1.24 1.06 -0.06 0.01 0.00 0.00 175.26 175.43 1xrh s PHE 69 N 0.10 3.06 -0.21 1.61 0.40 -1.26 -4.52 117.98 117.16 1xrh s PHE 69 Ca 0.17 1.59 -0.05 0.00 -0.60 0.00 0.00 56.93 58.04 1xrh s PHE 69 Cb -0.15 -3.14 0.11 0.00 0.51 0.00 0.00 43.02 40.35 1xrh s PHE 69 CO -0.06 -0.88 0.40 0.50 0.70 0.00 0.00 175.22 175.88 1xrh s ARG 70 N -2.92 0.33 -0.53 0.44 3.52 -1.03 -5.00 118.95 113.76 1xrh s ARG 70 Ca 0.64 0.86 -0.18 0.00 -0.13 0.00 0.00 55.73 56.92 1xrh s ARG 70 Cb -0.20 0.06 0.08 0.00 -1.56 0.00 0.00 34.95 33.33 1xrh s ARG 70 CO 0.25 -0.39 0.59 -1.17 -0.81 0.00 0.00 175.30 173.77 1xrh s LEU 71 N 2.59 5.37 -0.59 -0.88 2.96 -1.26 -1.18 118.68 125.68 1xrh s LEU 71 Ca 0.04 -1.25 -0.21 0.00 -0.22 0.00 0.00 54.13 52.48 1xrh s LEU 71 Cb -0.13 -2.32 0.07 0.00 0.50 0.00 0.00 46.19 44.30 1xrh s LEU 71 CO -0.14 -0.90 0.82 -0.70 -1.32 0.00 0.00 176.35 174.11 1xrh s GLU 72 N 2.32 3.14 -0.27 1.98 2.12 -0.05 -4.94 118.70 123.00 1xrh s GLU 72 Ca 0.10 -0.85 -0.27 0.00 0.36 0.00 0.00 54.97 54.31 1xrh s GLU 72 Cb -0.23 -4.17 0.01 0.00 0.26 0.00 0.00 34.13 30.00 1xrh s GLU 72 CO 0.08 -1.55 0.98 -1.21 -0.54 0.00 0.00 175.26 173.02 1xrh s GLU 73 N 3.38 4.14 0.00 4.30 2.02 -1.26 -0.52 118.70 130.76 1xrh s GLU 73 Ca 0.20 1.08 0.19 0.00 0.02 0.00 0.00 54.97 56.46 1xrh s GLU 73 Cb -0.18 -3.69 -0.12 0.00 0.10 0.00 0.00 34.13 30.24 1xrh s GLU 73 CO 0.11 -0.71 0.89 0.25 0.02 0.00 0.00 175.26 175.82 1xrh n THR 74 N 5.53 0.00 -3.88 3.63 -2.24 -1.00 -4.97 114.28 111.35 1xrh n THR 74 Ca 0.10 -0.16 0.01 0.00 -2.27 0.00 0.00 64.05 61.73 1xrh n THR 74 Cb 0.47 1.10 0.01 0.00 -2.10 0.00 0.00 70.33 69.81 1xrh n THR 74 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1xrh s GLY 75 N -2.55 -0.14 0.28 3.38 0.00 -1.22 -4.96 107.32 102.11 1xrh s GLY 75 Ca 0.11 0.11 0.02 0.00 0.00 0.00 0.00 44.72 44.96 1xrh s GLY 75 CO 0.66 3.53 1.74 -2.55 0.00 0.00 0.00 173.10 176.48 1xrh h PRO 76 N 2.00 0.57 0.00 2.90 0.11 -2.00 -2.96 132.00 132.62 1xrh h PRO 76 Ca -0.25 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.78 1xrh h PRO 76 Cb 1.20 -0.13 -0.09 0.00 0.11 0.00 0.00 31.00 32.09 1xrh h PRO 76 CO 0.31 0.38 -0.55 0.00 -0.21 0.00 0.00 178.00 177.93 1xrh s SER 78 N -2.75 0.84 -0.19 0.00 1.04 -1.12 -1.33 113.70 110.19 1xrh s SER 78 Ca 0.34 -0.90 -0.33 0.00 0.48 0.00 0.00 55.95 55.54 1xrh s SER 78 Cb 0.34 0.12 0.14 0.00 0.10 0.00 0.00 66.02 66.72 1xrh s SER 78 CO -0.07 -0.45 1.18 0.00 0.98 0.00 0.00 173.24 174.87 1xrh s ALA 79 N -3.22 -2.04 -0.05 5.32 0.00 -0.98 -2.37 121.76 118.42 1xrh s ALA 79 Ca 0.05 1.62 0.05 0.00 0.00 0.00 0.00 51.96 53.68 1xrh s ALA 79 Cb 0.03 -0.45 -0.01 0.00 0.00 0.00 0.00 23.12 22.69 1xrh s ALA 79 CO -0.05 -0.49 -0.21 0.42 0.00 0.00 0.00 175.76 175.43 1xrh s ILE 80 N -1.99 1.72 -0.42 0.00 1.01 0.32 -0.25 121.20 121.60 1xrh s ILE 80 Ca 0.07 -0.88 -0.12 0.00 0.00 0.00 0.00 60.65 59.72 1xrh s ILE 80 Cb -0.01 -1.46 0.06 0.00 0.01 0.00 0.00 42.46 41.05 1xrh s ILE 80 CO -0.05 0.49 0.28 -0.22 0.00 0.00 0.00 174.94 175.44 1xrh s LEU 81 N -0.07 5.14 -0.29 2.97 2.96 0.15 -0.87 118.68 128.67 1xrh s LEU 81 Ca -0.03 -1.25 -0.29 0.00 -0.22 0.00 0.00 54.13 52.34 1xrh s LEU 81 Cb -0.12 -2.06 0.01 0.00 0.50 0.00 0.00 46.19 44.51 1xrh s LEU 81 CO 0.03 -0.51 1.17 -1.00 -1.32 0.00 0.00 176.35 174.72 1xrh s HIS 82 N 1.54 2.97 -2.23 5.38 3.76 -0.33 -1.28 115.29 125.10 1xrh s HIS 82 Ca 0.03 1.08 0.19 0.00 -0.15 0.00 0.00 55.06 56.21 1xrh s HIS 82 Cb -0.22 -3.71 0.25 0.00 1.11 0.00 0.00 32.58 30.01 1xrh s HIS 82 CO 0.05 -1.18 1.20 0.00 -0.85 0.00 0.00 174.74 173.96 1xrh n ALA 83 N 7.04 2.43 -4.12 -1.40 0.00 -0.13 -2.48 120.51 121.85 1xrh n ALA 83 Ca 0.13 -0.80 -0.35 0.00 0.00 0.00 0.00 53.44 52.42 1xrh n ALA 83 Cb 0.47 -0.68 -0.02 0.00 0.00 0.00 0.00 19.45 19.21 1xrh n ALA 83 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1xrh n ASP 84 N 1.14 -3.33 -3.73 0.00 4.64 -1.22 0.47 116.55 114.52 1xrh n ASP 84 Ca 0.14 -0.93 -0.26 0.00 -1.38 0.00 0.00 54.79 52.36 1xrh n ASP 84 Cb 0.50 -2.73 0.05 0.00 -1.04 0.00 0.00 41.12 37.90 1xrh n ASP 84 CO 0.00 0.00 0.00 0.59 -0.82 0.00 0.00 177.20 176.97 1xrh n ASN 85 N -2.59 -4.78 -4.84 1.67 3.02 0.19 -4.59 115.26 103.34 1xrh n ASN 85 Ca 0.07 -0.68 -0.30 0.00 -0.03 0.00 0.00 54.58 53.65 1xrh n ASN 85 Cb 0.49 -4.44 0.09 0.00 -0.61 0.00 0.00 39.78 35.31 1xrh n ASN 85 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xrh s ALA 86 N -3.35 2.40 0.24 5.41 0.00 0.18 -0.25 121.76 126.38 1xrh s ALA 86 Ca 0.51 -0.38 -0.31 0.00 0.00 0.00 0.00 51.96 51.78 1xrh s ALA 86 Cb -0.24 -3.05 -0.14 0.00 0.00 0.00 0.00 23.12 19.69 1xrh s ALA 86 CO 0.78 -1.67 1.29 0.00 0.00 0.00 0.00 175.76 176.16 1xrh n ALA 87 N -3.37 0.50 -0.15 0.00 0.00 -1.26 -1.55 120.51 114.68 1xrh n ALA 87 Ca 0.07 0.42 0.08 0.00 0.00 0.00 0.00 53.44 54.01 1xrh n ALA 87 Cb 0.58 -2.18 0.40 0.00 0.00 0.00 0.00 19.45 18.25 1xrh n ALA 87 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1xrh h GLY 88 N 3.62 0.85 0.98 0.00 0.00 -1.61 -0.03 103.07 106.88 1xrh h GLY 88 Ca -0.44 -0.26 -0.07 0.00 0.00 0.00 0.00 47.33 46.55 1xrh h GLY 88 CO 0.71 0.18 -0.01 1.46 0.00 0.00 0.00 176.54 178.88 1xrh h GLN 89 N 0.64 0.80 0.45 4.80 7.50 -1.73 -0.29 115.11 127.29 1xrh h GLN 89 Ca 0.31 -0.26 -0.02 0.00 0.50 0.00 0.00 58.65 59.17 1xrh h GLN 89 Cb 0.37 -0.07 0.00 0.00 0.05 0.00 0.00 27.48 27.83 1xrh h GLN 89 CO -0.10 0.87 -0.22 0.28 -1.50 0.00 0.00 178.83 178.16 1xrh h VAL 90 N 0.64 0.51 -0.18 -0.54 2.07 -1.52 -1.96 116.25 115.27 1xrh h VAL 90 Ca 0.12 -0.33 0.05 0.00 0.82 0.00 0.00 66.70 67.37 1xrh h VAL 90 Cb 0.52 0.66 -0.07 0.00 -1.52 0.00 0.00 31.29 30.88 1xrh h VAL 90 CO 0.03 0.06 -0.30 0.00 0.02 0.00 0.00 177.57 177.37 1xrh h ALA 91 N -0.37 -0.29 -0.62 1.67 0.00 -0.96 -2.89 119.26 115.80 1xrh h ALA 91 Ca -0.06 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1xrh h ALA 91 Cb 0.56 0.59 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 1xrh h ALA 91 CO 0.10 -0.76 0.12 0.00 0.00 0.00 0.00 179.25 178.71 1xrh h ALA 92 N 0.55 1.04 0.00 0.00 0.00 -1.10 0.13 119.26 119.87 1xrh h ALA 92 Ca 0.11 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1xrh h ALA 92 Cb 0.52 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1xrh h ALA 92 CO -0.38 0.62 0.00 1.17 0.00 0.00 0.00 179.25 180.66 1xrh n LYS 93 N -4.23 0.27 -0.40 0.00 4.81 -0.74 -4.63 118.16 113.24 1xrh n LYS 93 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.48 1xrh n LYS 93 Cb 0.27 -1.22 0.00 0.00 0.02 0.00 0.00 35.03 34.09 1xrh n LYS 93 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1xrh n GLY 95 N 0.55 0.00 3.08 3.14 0.00 0.43 -4.69 105.19 107.71 1xrh n GLY 95 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1xrh n GLY 95 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xrh n GLU 97 N 0.00 0.00 -0.21 1.61 1.02 -1.26 -2.17 120.64 119.63 1xrh n GLU 97 Ca 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1xrh n GLU 97 Cb 0.00 0.00 0.23 0.00 -0.02 0.00 0.00 31.44 31.65 1xrh n GLU 97 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1xrh h HIS 98 N 0.00 0.94 -0.40 -0.32 2.76 -1.97 -1.77 115.15 114.40 1xrh h HIS 98 Ca 0.00 0.01 -0.08 0.00 -2.20 0.00 0.00 60.37 58.09 1xrh h HIS 98 Cb 0.00 -0.31 -0.02 0.00 1.55 0.00 0.00 27.41 28.63 1xrh h HIS 98 CO 0.00 0.62 -0.10 0.00 -1.30 0.00 0.00 177.93 177.16 1xrh h ALA 99 N 1.49 1.08 -0.28 5.26 0.00 -1.84 -1.14 119.26 123.83 1xrh h ALA 99 Ca 0.26 -0.30 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 1xrh h ALA 99 Cb -0.06 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1xrh h ALA 99 CO -0.05 0.57 -0.42 0.82 0.00 0.00 0.00 179.25 180.17 1xrh h ILE 100 N 0.64 1.29 -0.09 0.00 2.04 -1.72 -0.56 117.51 119.12 1xrh h ILE 100 Ca 0.11 -1.60 -0.00 0.00 1.00 0.00 0.00 64.86 64.37 1xrh h ILE 100 Cb 0.54 1.53 -0.00 0.00 -0.74 0.00 0.00 36.82 38.14 1xrh h ILE 100 CO 0.03 0.51 0.04 0.50 0.00 0.00 0.00 178.15 179.24 1xrh h LYS 101 N 0.56 0.12 -0.39 2.37 3.11 -1.01 -0.90 116.57 120.43 1xrh h LYS 101 Ca 0.04 -0.02 -0.03 0.00 -2.81 0.00 0.00 60.65 57.84 1xrh h LYS 101 Cb 0.96 -0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 32.15 1xrh h LYS 101 CO 0.09 0.18 0.13 1.15 -2.81 0.00 0.00 179.45 178.19 1xrh h THR 102 N 0.03 1.21 -0.34 1.00 2.02 -1.04 -2.81 112.91 112.97 1xrh h THR 102 Ca 0.03 -0.67 -0.10 0.00 0.77 0.00 0.00 66.41 66.44 1xrh h THR 102 Cb 0.10 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 1xrh h THR 102 CO -0.00 0.24 -0.21 0.00 0.37 0.00 0.00 175.52 175.92 1xrh h ALA 103 N 0.98 1.01 -0.97 6.16 0.00 -1.07 0.56 119.26 125.92 1xrh h ALA 103 Ca 0.13 -0.35 0.08 0.00 0.00 0.00 0.00 54.91 54.77 1xrh h ALA 103 Cb 0.24 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 17.82 1xrh h ALA 103 CO -0.01 0.59 0.63 0.37 0.00 0.00 0.00 179.25 180.83 1xrh h GLN 104 N 0.57 1.05 0.00 0.00 5.75 -0.95 0.80 115.11 122.34 1xrh h GLN 104 Ca 0.09 -0.06 -0.19 0.00 -0.15 0.00 0.00 58.65 58.34 1xrh h GLN 104 Cb 0.67 -0.24 -0.03 0.00 1.07 0.00 0.00 27.48 28.95 1xrh h GLN 104 CO 0.05 0.70 -1.01 0.37 -2.65 0.00 0.00 178.83 176.28 1xrh h GLN 105 N 1.08 0.00 -0.38 1.69 5.75 -1.22 -3.41 115.11 118.63 1xrh h GLN 105 Ca 0.43 -0.01 -0.07 0.00 -0.15 0.00 0.00 58.65 58.86 1xrh h GLN 105 Cb 0.25 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 28.77 1xrh h GLN 105 CO -0.18 1.00 0.04 0.09 -2.65 0.00 0.00 178.83 177.13 1xrh n ASN 106 N -4.46 3.99 0.00 -0.69 3.02 0.19 -4.99 115.26 112.33 1xrh n ASN 106 Ca -0.28 -3.17 0.00 0.00 -0.03 0.00 0.00 54.58 51.11 1xrh n ASN 106 Cb 0.65 -0.61 0.00 0.00 -0.61 0.00 0.00 39.78 39.21 1xrh n ASN 106 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xrh n GLY 107 N -0.45 1.65 3.24 7.41 0.00 0.27 -4.90 105.19 112.42 1xrh n GLY 107 Ca 0.27 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.18 1xrh n GLY 107 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xrh s VAL 108 N -0.20 0.08 -0.23 1.61 1.01 -1.26 0.35 120.40 121.77 1xrh s VAL 108 Ca 0.00 -0.69 -0.19 0.00 0.00 0.00 0.00 61.98 61.11 1xrh s VAL 108 Cb 0.00 -0.90 0.06 0.00 0.00 0.00 0.00 36.38 35.54 1xrh s VAL 108 CO 0.00 -0.38 0.60 0.00 0.00 0.00 0.00 175.10 175.32 1xrh s ALA 109 N -2.44 -1.53 -0.19 5.51 0.00 -0.45 -4.04 121.76 118.62 1xrh s ALA 109 Ca -0.06 1.85 -0.00 0.00 0.00 0.00 0.00 51.96 53.75 1xrh s ALA 109 Cb -0.01 -1.08 0.05 0.00 0.00 0.00 0.00 23.12 22.07 1xrh s ALA 109 CO -0.03 -0.30 -0.06 0.08 0.00 0.00 0.00 175.76 175.45 1xrh s VAL 110 N 0.74 1.28 -0.13 0.00 1.01 -0.44 -0.43 120.40 122.43 1xrh s VAL 110 Ca -0.03 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.13 1xrh s VAL 110 Cb -0.05 -1.47 0.02 0.00 0.00 0.00 0.00 36.38 34.88 1xrh s VAL 110 CO -0.05 0.08 -0.15 -0.69 0.00 0.00 0.00 175.10 174.29 1xrh s VAL 111 N 1.55 1.53 0.21 2.92 1.01 -0.15 -2.32 120.40 125.14 1xrh s VAL 111 Ca -0.01 -0.63 -0.12 0.00 0.00 0.00 0.00 61.98 61.22 1xrh s VAL 111 Cb -0.16 -1.42 -0.07 0.00 0.00 0.00 0.00 36.38 34.73 1xrh s VAL 111 CO -0.08 0.45 0.57 -0.83 0.00 0.00 0.00 175.10 175.22 1xrh s GLY 112 N 1.25 2.36 -0.25 4.51 0.00 0.66 -1.31 107.32 114.54 1xrh s GLY 112 Ca -0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 44.72 44.53 1xrh s GLY 112 CO -0.06 0.02 -0.07 -0.42 0.00 0.00 0.00 173.10 172.57 1xrh s ILE 113 N -1.71 2.76 -0.32 0.90 -1.09 0.21 0.29 121.20 122.25 1xrh s ILE 113 Ca 0.45 -1.12 -0.10 0.00 -2.23 0.00 0.00 60.65 57.65 1xrh s ILE 113 Cb -0.13 -2.43 0.00 0.00 -1.58 0.00 0.00 42.46 38.32 1xrh s ILE 113 CO 0.20 0.16 0.16 -0.55 -1.23 0.00 0.00 174.94 173.69 1xrh s SER 114 N 1.29 5.58 0.05 3.58 0.15 -0.41 -1.38 113.70 122.56 1xrh s SER 114 Ca -0.01 -0.62 0.00 0.00 0.70 0.00 0.00 55.95 56.02 1xrh s SER 114 Cb -0.17 -2.00 0.00 0.00 -1.71 0.00 0.00 66.02 62.13 1xrh s SER 114 CO -0.05 -0.23 0.00 0.54 1.20 0.00 0.00 173.24 174.70 1xrh n ARG 115 N 4.98 -3.11 -2.08 5.44 1.74 -0.60 -0.96 116.66 122.07 1xrh n ARG 115 Ca -0.13 2.45 -0.08 0.00 -0.77 0.00 0.00 57.85 59.32 1xrh n ARG 115 Cb 0.48 -2.83 0.00 0.00 -1.02 0.00 0.00 32.46 29.10 1xrh n ARG 115 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xrh n GLY 117 N 1.08 2.73 3.68 -0.13 0.00 -0.59 0.56 105.19 112.51 1xrh n GLY 117 Ca 0.00 -2.20 -0.46 0.00 0.00 0.00 0.00 46.02 43.36 1xrh n GLY 117 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1xrh n HIS 118 N -1.01 2.39 1.39 1.61 -0.00 -1.26 -3.39 115.22 114.95 1xrh n HIS 118 Ca 0.01 -0.04 0.14 0.00 0.46 0.00 0.00 57.72 58.29 1xrh n HIS 118 Cb 0.19 -2.67 0.44 0.00 -0.12 0.00 0.00 29.99 27.83 1xrh n HIS 118 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67 1xrh n SER 119 N 6.06 1.65 0.00 0.26 3.41 -1.26 -3.61 113.62 120.13 1xrh n SER 119 Ca 0.21 -1.48 0.00 0.00 -0.26 0.00 0.00 58.87 57.33 1xrh n SER 119 Cb 0.32 0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.30 1xrh n SER 119 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xrh n GLY 120 N 1.23 -1.40 3.60 5.00 0.00 -1.26 -4.19 105.19 108.16 1xrh n GLY 120 Ca 0.17 -1.77 -0.43 0.00 0.00 0.00 0.00 46.02 43.99 1xrh n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xrh s ALA 121 N -1.73 2.93 -1.11 4.61 0.00 -1.26 -4.84 121.76 120.37 1xrh s ALA 121 Ca 0.00 -0.12 0.12 0.00 0.00 0.00 0.00 51.96 51.97 1xrh s ALA 121 Cb 0.00 -4.00 0.55 0.00 0.00 0.00 0.00 23.12 19.67 1xrh s ALA 121 CO 0.00 -2.59 1.37 0.44 0.00 0.00 0.00 175.76 174.98 1xrh n ILE 122 N 7.16 1.04 0.31 0.00 -5.35 -1.26 -1.27 119.36 119.99 1xrh n ILE 122 Ca 0.18 0.26 0.20 0.00 -0.27 0.00 0.00 62.75 63.12 1xrh n ILE 122 Cb 0.48 -1.05 0.97 0.00 -1.74 0.00 0.00 39.64 38.30 1xrh n ILE 122 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 1xrh h SER 123 N 0.00 0.00 -0.64 7.28 4.64 -1.92 -2.20 113.55 120.72 1xrh h SER 123 Ca 0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 1xrh h SER 123 Cb 0.19 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.25 1xrh h SER 123 CO 0.00 0.00 0.15 0.22 -0.87 0.00 0.00 176.83 176.33 1xrh h TYR 124 N 0.00 1.10 -0.20 4.77 3.20 -1.58 -2.23 116.97 122.02 1xrh h TYR 124 Ca 0.00 -0.13 -0.15 0.00 3.14 0.00 0.00 58.73 61.59 1xrh h TYR 124 Cb 0.19 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 38.15 1xrh h TYR 124 CO 0.00 0.91 -0.47 0.74 -1.64 0.00 0.00 178.16 177.69 1xrh h PHE 125 N 1.00 0.87 0.00 -3.82 -1.00 -1.60 -2.75 116.94 109.64 1xrh h PHE 125 Ca 0.21 -0.33 -0.01 0.00 2.81 0.00 0.00 57.97 60.65 1xrh h PHE 125 Cb 0.37 -0.16 -0.00 0.00 3.61 0.00 0.00 35.95 39.77 1xrh h PHE 125 CO 0.03 1.11 -0.04 -0.39 -1.61 0.00 0.00 178.31 177.40 1xrh h VAL 126 N 0.38 0.12 0.00 -0.55 -1.51 -1.52 -0.03 116.25 113.13 1xrh h VAL 126 Ca -0.00 -0.59 -0.07 0.00 -1.23 0.00 0.00 66.70 64.81 1xrh h VAL 126 Cb 1.08 1.53 -0.01 0.00 -2.13 0.00 0.00 31.29 31.76 1xrh h VAL 126 CO 0.10 0.04 -0.33 -0.61 -1.23 0.00 0.00 177.57 175.54 1xrh h GLN 127 N 0.00 0.00 0.59 5.19 -0.00 -1.29 -2.51 115.11 117.10 1xrh h GLN 127 Ca -0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.62 1xrh h GLN 127 Cb 0.52 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 28.00 1xrh h GLN 127 CO 0.01 0.33 -0.34 1.96 0.00 0.00 0.00 178.83 180.79 1xrh h GLN 128 N 0.00 -0.84 -0.71 1.69 4.20 -0.69 -0.93 115.11 117.83 1xrh h GLN 128 Ca -0.00 0.06 0.15 0.00 0.06 0.00 0.00 58.65 58.91 1xrh h GLN 128 Cb 1.07 0.19 -0.10 0.00 0.30 0.00 0.00 27.48 28.94 1xrh h GLN 128 CO 0.04 -0.56 0.18 0.00 -0.67 0.00 0.00 178.83 177.82 1xrh h ALA 129 N -0.50 0.91 -0.53 3.87 0.00 -1.44 -2.13 119.26 119.43 1xrh h ALA 129 Ca -0.07 0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1xrh h ALA 129 Cb 0.69 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1xrh h ALA 129 CO 0.09 -0.32 0.01 0.00 0.00 0.00 0.00 179.25 179.04 1xrh h ALA 130 N 1.57 1.02 0.00 0.00 0.00 -1.06 0.58 119.26 121.37 1xrh h ALA 130 Ca 0.39 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1xrh h ALA 130 Cb 0.64 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1xrh h ALA 130 CO -0.48 0.61 -0.02 -0.09 0.00 0.00 0.00 179.25 179.27 1xrh h ARG 131 N 0.83 0.00 -0.21 0.00 2.43 -0.64 0.46 114.38 117.25 1xrh h ARG 131 Ca 0.16 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 1xrh h ARG 131 Cb 0.48 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 1xrh h ARG 131 CO 0.02 0.02 0.00 0.00 -1.51 0.00 0.00 179.97 178.50 1xrh n ALA 132 N -2.11 2.48 -0.55 2.80 0.00 -0.00 -4.93 120.51 118.19 1xrh n ALA 132 Ca -0.01 -0.73 0.00 0.00 0.00 0.00 0.00 53.44 52.71 1xrh n ALA 132 Cb 0.24 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.73 1xrh n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xrh n GLY 133 N 1.32 0.71 3.60 0.00 0.00 0.15 -5.06 105.19 105.91 1xrh n GLY 133 Ca 0.17 -0.18 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1xrh n GLY 133 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xrh s PHE 134 N -2.00 2.50 0.23 1.61 2.99 -0.08 -4.62 117.98 118.61 1xrh s PHE 134 Ca 0.00 -0.42 -0.28 0.00 0.00 0.00 0.00 56.93 56.24 1xrh s PHE 134 Cb 0.00 -1.38 -0.09 0.00 0.00 0.00 0.00 43.02 41.55 1xrh s PHE 134 CO 0.00 0.54 0.88 0.42 -0.00 0.00 0.00 175.22 177.06 1xrh s ILE 135 N -2.52 4.19 -0.04 0.64 1.01 -0.35 -2.91 121.20 121.23 1xrh s ILE 135 Ca 0.33 1.91 0.03 0.00 0.00 0.00 0.00 60.65 62.93 1xrh s ILE 135 Cb -0.01 -4.21 0.00 0.00 0.01 0.00 0.00 42.46 38.25 1xrh s ILE 135 CO 0.18 0.45 -0.13 -0.83 0.00 0.00 0.00 174.94 174.61 1xrh s GLY 136 N -1.25 0.73 -0.00 6.18 0.00 0.06 -1.63 107.32 111.41 1xrh s GLY 136 Ca 0.41 -0.50 0.05 0.00 0.00 0.00 0.00 44.72 44.68 1xrh s GLY 136 CO 0.29 -0.19 -0.17 -0.42 0.00 0.00 0.00 173.10 172.61 1xrh s ILE 137 N 0.16 1.35 0.28 0.90 1.01 0.53 -1.18 121.20 124.25 1xrh s ILE 137 Ca -0.04 -0.79 -0.10 0.00 0.00 0.00 0.00 60.65 59.72 1xrh s ILE 137 Cb -0.11 -1.13 0.00 0.00 0.01 0.00 0.00 42.46 41.23 1xrh s ILE 137 CO 0.01 0.33 0.49 -0.55 0.00 0.00 0.00 174.94 175.22 1xrh s SER 138 N -0.53 0.21 -0.06 3.58 0.15 0.60 -1.00 113.70 116.64 1xrh s SER 138 Ca 0.06 -1.12 -0.32 0.00 0.70 0.00 0.00 55.95 55.27 1xrh s SER 138 Cb -0.07 0.62 0.13 0.00 -1.71 0.00 0.00 66.02 64.99 1xrh s SER 138 CO -0.00 -1.21 1.27 0.00 1.20 0.00 0.00 173.24 174.49 1xrh s GLN 141 N -2.43 2.85 0.23 0.00 -0.21 -0.99 -3.77 119.66 115.34 1xrh s GLN 141 Ca 0.13 0.05 -0.04 0.00 0.02 0.00 0.00 55.36 55.52 1xrh s GLN 141 Cb 0.03 -2.22 -0.03 0.00 1.00 0.00 0.00 33.01 31.79 1xrh s GLN 141 CO -0.04 -0.80 0.25 0.45 -2.12 0.00 0.00 175.29 173.03 1xrh s SER 142 N -4.33 0.23 0.25 5.90 0.15 -1.26 -4.84 113.70 109.80 1xrh s SER 142 Ca 0.55 -1.30 -0.31 0.00 0.70 0.00 0.00 55.95 55.59 1xrh s SER 142 Cb -0.11 0.46 -0.13 0.00 -1.71 0.00 0.00 66.02 64.54 1xrh s SER 142 CO 0.46 -0.96 1.45 0.47 1.20 0.00 0.00 173.24 175.86 1xrh n ASP 143 N -0.45 3.02 -4.76 5.45 10.43 -1.26 -4.00 116.55 124.99 1xrh n ASP 143 Ca 0.01 1.14 -0.41 0.00 2.57 0.00 0.00 54.79 58.11 1xrh n ASP 143 Cb 0.64 -1.47 0.01 0.00 1.84 0.00 0.00 41.12 42.14 1xrh n ASP 143 CO 0.00 0.00 0.00 -2.65 -1.07 0.00 0.00 177.20 173.48 1xrh n PRO 144 N 2.04 2.39 -1.75 -0.24 -0.02 -1.26 -4.09 135.00 132.08 1xrh n PRO 144 Ca 0.11 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.43 1xrh n PRO 144 Cb 0.33 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.21 1xrh n PRO 144 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1xrh n VAL 146 N 0.10 -5.06 -3.11 -1.45 0.31 -0.78 -4.92 118.33 103.43 1xrh n VAL 146 Ca 0.04 2.34 -0.36 0.00 -0.01 0.00 0.00 64.34 66.34 1xrh n VAL 146 Cb 0.40 -3.13 -0.06 0.00 -0.91 0.00 0.00 33.84 30.14 1xrh n VAL 146 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 1xrh s VAL 147 N -2.84 4.57 1.17 2.52 -7.23 -1.06 -1.23 120.40 116.30 1xrh s VAL 147 Ca 0.00 1.29 -0.15 0.00 -1.81 0.00 0.00 61.98 61.31 1xrh s VAL 147 Cb 0.00 -3.87 0.28 0.00 0.56 0.00 0.00 36.38 33.34 1xrh s VAL 147 CO 0.00 0.24 1.04 -2.16 -0.31 0.00 0.00 175.10 173.91 1xrh s PRO 148 N -1.89 -0.98 0.13 4.82 0.04 -1.25 -4.50 135.00 131.36 1xrh s PRO 148 Ca 0.42 0.51 -0.31 0.00 0.04 0.00 0.00 61.00 61.66 1xrh s PRO 148 Cb -0.17 -1.57 -0.10 0.00 0.04 0.00 0.00 34.50 32.70 1xrh s PRO 148 CO 0.21 -3.68 1.65 0.12 0.04 0.00 0.00 177.00 175.34 1xrh s PHE 149 N -2.63 2.68 0.00 0.56 5.36 -1.26 -0.87 117.98 121.81 1xrh s PHE 149 Ca 0.68 0.40 0.00 0.00 -0.96 0.00 0.00 56.93 57.04 1xrh s PHE 149 Cb -0.20 -3.99 0.00 0.00 -0.34 0.00 0.00 43.02 38.49 1xrh s PHE 149 CO 0.61 -3.87 0.00 0.41 -1.46 0.00 0.00 175.22 170.91 1xrh n GLY 150 N 3.93 0.50 3.95 13.12 0.00 -1.26 -5.02 105.19 120.40 1xrh n GLY 150 Ca 0.15 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.98 1xrh n GLY 150 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xrh s GLY 151 N -2.00 1.85 0.00 -0.02 0.00 -0.05 -5.05 107.32 102.05 1xrh s GLY 151 Ca 0.00 -1.65 0.00 0.00 0.00 0.00 0.00 44.72 43.07 1xrh s GLY 151 CO 0.00 -1.52 0.44 0.00 0.00 0.00 0.00 173.10 172.02 1xrh n ALA 152 N -1.63 2.25 -2.51 3.20 0.00 -1.26 -4.69 120.51 115.87 1xrh n ALA 152 Ca 0.03 -0.44 -0.25 0.00 0.00 0.00 0.00 53.44 52.78 1xrh n ALA 152 Cb 0.59 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.95 1xrh n ALA 152 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1xrh s GLU 153 N -0.03 1.82 0.41 0.00 2.02 -1.26 -4.50 118.70 117.15 1xrh s GLU 153 Ca 0.00 -1.59 -0.23 0.00 0.02 0.00 0.00 54.97 53.17 1xrh s GLU 153 Cb 0.00 -1.91 -0.09 0.00 0.10 0.00 0.00 34.13 32.23 1xrh s GLU 153 CO 0.00 0.36 1.01 0.42 0.02 0.00 0.00 175.26 177.08 1xrh s ILE 154 N -2.22 3.93 0.08 -1.63 1.01 -1.26 -3.83 121.20 117.29 1xrh s ILE 154 Ca 0.28 1.37 0.00 0.00 0.00 0.00 0.00 60.65 62.30 1xrh s ILE 154 Cb -0.06 -3.66 0.00 0.00 0.01 0.00 0.00 42.46 38.75 1xrh s ILE 154 CO 0.15 -0.10 0.00 0.00 0.00 0.00 0.00 174.94 174.99 1xrh n TYR 155 N -0.31 -1.03 -2.68 3.97 9.36 -0.37 -4.90 117.16 121.20 1xrh n TYR 155 Ca 0.06 0.17 -0.22 0.00 3.32 0.00 0.00 57.90 61.23 1xrh n TYR 155 Cb 0.51 0.66 0.07 0.00 -0.63 0.00 0.00 39.34 39.95 1xrh n TYR 155 CO 0.00 0.00 0.00 0.71 0.22 0.00 0.00 176.86 177.79 1xrh s TYR 156 N -1.25 2.21 0.19 2.98 4.12 -1.24 -2.36 117.35 121.99 1xrh s TYR 156 Ca 0.00 -0.21 0.03 0.00 0.02 0.00 0.00 57.07 56.91 1xrh s TYR 156 Cb 0.00 -2.77 0.03 0.00 -1.52 0.00 0.00 41.96 37.70 1xrh s TYR 156 CO 0.00 -1.21 0.24 0.41 0.02 0.00 0.00 175.55 175.01 1xrh n GLY 157 N -2.50 2.13 0.12 0.71 0.00 -1.26 -1.86 105.19 102.53 1xrh n GLY 157 Ca 0.12 -2.17 0.00 0.00 0.00 0.00 0.00 46.02 43.96 1xrh n GLY 157 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xrh n THR 158 N -1.32 0.00 0.00 2.61 -2.24 -1.26 -4.78 114.28 107.29 1xrh n THR 158 Ca 0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 1xrh n THR 158 Cb 0.20 -0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.31 1xrh n THR 158 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1xrh n ASN 159 N -0.38 0.00 -4.86 3.42 3.02 -1.26 -1.95 115.26 113.24 1xrh n ASN 159 Ca 0.00 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.24 1xrh n ASN 159 Cb 0.06 0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.22 1xrh n ASN 159 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1xrh s PRO 160 N 0.00 3.70 -0.02 3.52 0.04 -1.25 -3.67 135.00 137.33 1xrh s PRO 160 Ca 0.00 0.83 0.02 0.00 0.04 0.00 0.00 61.00 61.89 1xrh s PRO 160 Cb 0.00 -2.10 -0.00 0.00 0.04 0.00 0.00 34.50 32.44 1xrh s PRO 160 CO 0.00 -0.49 -0.08 -1.17 0.04 0.00 0.00 177.00 175.31 1xrh s LEU 161 N -4.81 1.87 0.05 -3.56 2.96 -1.26 -2.59 118.68 111.35 1xrh s LEU 161 Ca 0.56 -0.15 0.01 0.00 -0.22 0.00 0.00 54.13 54.34 1xrh s LEU 161 Cb -0.11 -0.45 -0.03 0.00 0.50 0.00 0.00 46.19 46.11 1xrh s LEU 161 CO 0.46 0.07 -0.06 0.00 -1.32 0.00 0.00 176.35 175.50 1xrh s ALA 162 N 0.04 0.58 -0.08 5.97 0.00 0.18 -4.46 121.76 123.99 1xrh s ALA 162 Ca -0.00 -0.95 -0.11 0.00 0.00 0.00 0.00 51.96 50.90 1xrh s ALA 162 Cb -0.06 0.13 0.03 0.00 0.00 0.00 0.00 23.12 23.21 1xrh s ALA 162 CO -0.00 -0.15 0.29 0.12 0.00 0.00 0.00 175.76 176.02 1xrh s PHE 163 N -2.34 -0.26 -0.14 0.00 5.36 0.23 -0.29 117.98 120.54 1xrh s PHE 163 Ca -0.03 0.58 -0.19 0.00 -0.96 0.00 0.00 56.93 56.33 1xrh s PHE 163 Cb -0.03 0.09 0.05 0.00 -0.34 0.00 0.00 43.02 42.79 1xrh s PHE 163 CO -0.03 -0.23 0.49 0.00 -1.46 0.00 0.00 175.22 173.99 1xrh s ALA 164 N -0.36 -1.23 0.00 11.12 0.00 -0.32 -0.57 121.76 130.40 1xrh s ALA 164 Ca -0.05 1.20 -0.02 0.00 0.00 0.00 0.00 51.96 53.09 1xrh s ALA 164 Cb -0.03 -0.54 -0.01 0.00 0.00 0.00 0.00 23.12 22.54 1xrh s ALA 164 CO 0.02 -0.26 0.03 0.00 0.00 0.00 0.00 175.76 175.54 1xrh s ALA 165 N -0.23 -0.04 0.14 0.00 0.00 -0.52 -0.76 121.76 120.34 1xrh s ALA 165 Ca -0.04 -0.24 -0.28 0.00 0.00 0.00 0.00 51.96 51.39 1xrh s ALA 165 Cb -0.03 0.06 -0.07 0.00 0.00 0.00 0.00 23.12 23.08 1xrh s ALA 165 CO 0.03 -0.12 0.90 -1.25 0.00 0.00 0.00 175.76 175.32 1xrh s PRO 166 N -0.90 4.68 0.00 0.00 0.04 -1.26 -0.87 135.00 136.70 1xrh s PRO 166 Ca -0.10 1.35 0.00 0.00 0.04 0.00 0.00 61.00 62.30 1xrh s PRO 166 Cb -0.06 -3.34 0.00 0.00 0.04 0.00 0.00 34.50 31.14 1xrh s PRO 166 CO -0.00 0.34 0.00 0.41 0.04 0.00 0.00 177.00 177.79 1xrh n GLY 167 N 2.01 3.76 3.83 0.56 0.00 0.13 -4.26 105.19 111.21 1xrh n GLY 167 Ca -0.01 -2.04 -0.33 0.00 0.00 0.00 0.00 46.02 43.65 1xrh n GLY 167 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xrh s GLU 168 N 2.29 3.94 7.32 1.61 2.02 -1.20 -4.62 118.70 130.04 1xrh s GLU 168 Ca 0.00 1.07 0.00 0.00 0.02 0.00 0.00 54.97 56.06 1xrh s GLU 168 Cb 0.00 -2.13 0.00 0.00 0.10 0.00 0.00 34.13 32.10 1xrh s GLU 168 CO 0.00 -0.28 0.00 0.41 0.02 0.00 0.00 175.26 175.41 1xrh n GLY 169 N -1.12 3.73 0.57 -1.39 0.00 -1.26 -1.27 105.19 104.45 1xrh n GLY 169 Ca 0.07 -0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.20 1xrh n GLY 169 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xrh n ASP 170 N 5.75 1.75 -4.70 1.61 8.00 -1.26 -4.95 116.55 122.75 1xrh n ASP 170 Ca 0.00 -1.63 -0.42 0.00 0.71 0.00 0.00 54.79 53.45 1xrh n ASP 170 Cb 0.00 -0.05 -0.03 0.00 -0.02 0.00 0.00 41.12 41.02 1xrh n ASP 170 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1xrh s GLU 171 N -1.90 4.29 -0.02 -1.24 2.02 -0.40 -4.96 118.70 116.49 1xrh s GLU 171 Ca 0.35 2.03 0.02 0.00 0.02 0.00 0.00 54.97 57.39 1xrh s GLU 171 Cb 0.20 -3.47 0.01 0.00 0.10 0.00 0.00 34.13 30.96 1xrh s GLU 171 CO 0.31 -0.54 -0.06 0.42 0.02 0.00 0.00 175.26 175.41 1xrh s ILE 172 N 1.99 0.54 -0.24 -1.63 1.01 -1.26 0.18 121.20 121.78 1xrh s ILE 172 Ca 0.65 -0.23 -0.10 0.00 0.00 0.00 0.00 60.65 60.97 1xrh s ILE 172 Cb -0.34 -0.50 -0.05 0.00 0.01 0.00 0.00 42.46 41.59 1xrh s ILE 172 CO 0.28 0.18 0.16 -0.22 0.00 0.00 0.00 174.94 175.34 1xrh s LEU 173 N 0.25 4.08 -0.08 2.97 1.98 -0.05 -4.94 118.68 122.90 1xrh s LEU 173 Ca -0.03 0.09 0.02 0.00 -2.89 0.00 0.00 54.13 51.32 1xrh s LEU 173 Cb -0.07 -2.10 0.01 0.00 0.66 0.00 0.00 46.19 44.69 1xrh s LEU 173 CO -0.00 0.05 -0.12 -0.89 -1.89 0.00 0.00 176.35 173.50 1xrh s THR 174 N 1.12 1.20 -0.06 3.68 2.01 -1.26 -1.44 115.64 120.90 1xrh s THR 174 Ca 0.07 -0.50 0.03 0.00 0.31 0.00 0.00 61.69 61.61 1xrh s THR 174 Cb -0.14 -1.11 0.01 0.00 0.01 0.00 0.00 72.50 71.27 1xrh s THR 174 CO 0.05 0.37 -0.14 0.12 -0.69 0.00 0.00 174.62 174.33 1xrh s PHE 175 N 0.82 1.56 0.25 4.92 5.36 0.26 -3.77 117.98 127.38 1xrh s PHE 175 Ca -0.11 -0.54 0.01 0.00 -0.96 0.00 0.00 56.93 55.33 1xrh s PHE 175 Cb -0.15 -1.11 -0.05 0.00 -0.34 0.00 0.00 43.02 41.37 1xrh s PHE 175 CO 0.02 -0.24 0.09 0.34 -1.46 0.00 0.00 175.22 173.97 1xrh s ASP 176 N 0.43 1.11 0.32 6.13 3.68 -1.26 -0.60 116.67 126.47 1xrh s ASP 176 Ca -0.11 -1.37 0.09 0.00 2.13 0.00 0.00 52.55 53.30 1xrh s ASP 176 Cb -0.14 0.18 -0.06 0.00 -1.45 0.00 0.00 42.92 41.44 1xrh s ASP 176 CO 0.03 -0.73 -0.10 0.00 0.13 0.00 0.00 175.17 174.51 1xrh s ALA 178 N -3.78 2.82 -2.23 3.66 0.00 -1.26 -5.02 121.76 115.95 1xrh s ALA 178 Ca 0.37 -2.03 0.19 0.00 0.00 0.00 0.00 51.96 50.48 1xrh s ALA 178 Cb 0.08 -0.03 0.60 0.00 0.00 0.00 0.00 23.12 23.76 1xrh s ALA 178 CO 0.13 0.08 1.46 0.25 0.00 0.00 0.00 175.76 177.67 1xrh n THR 179 N -0.73 0.34 -4.20 0.00 -2.24 -0.82 -4.87 114.28 101.76 1xrh n THR 179 Ca -0.05 -0.46 -0.24 0.00 -2.27 0.00 0.00 64.05 61.04 1xrh n THR 179 Cb 0.63 0.43 -0.06 0.00 -2.10 0.00 0.00 70.33 69.22 1xrh n THR 179 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1xrh s THR 180 N -1.66 3.94 0.14 4.28 -4.23 -1.26 0.11 115.64 116.96 1xrh s THR 180 Ca 0.32 -1.56 -0.19 0.00 -1.18 0.00 0.00 61.69 59.07 1xrh s THR 180 Cb 0.17 -3.08 0.00 0.00 1.34 0.00 0.00 72.50 70.93 1xrh s THR 180 CO 0.25 -0.29 1.70 0.58 -0.54 0.00 0.00 174.62 176.31 1xrh h VAL 181 N 1.88 0.75 -3.45 2.29 2.07 -1.75 -3.41 116.25 114.63 1xrh h VAL 181 Ca -0.47 -0.00 -0.36 0.00 0.82 0.00 0.00 66.70 66.70 1xrh h VAL 181 Cb 1.23 0.75 -0.14 0.00 -1.52 0.00 0.00 31.29 31.61 1xrh h VAL 181 CO 0.60 0.00 -0.66 -1.58 0.02 0.00 0.00 177.57 175.96 1xrh s GLN 182 N -6.21 1.29 -0.03 1.57 2.00 -1.26 -5.02 119.66 112.00 1xrh s GLN 182 Ca -0.13 -1.65 -0.13 0.00 -2.00 0.00 0.00 55.36 51.45 1xrh s GLN 182 Cb 0.11 -0.51 -0.05 0.00 0.80 0.00 0.00 33.01 33.36 1xrh s GLN 182 CO 0.69 -0.12 0.35 0.00 -0.50 0.00 0.00 175.29 175.71 1xrh s ALA 183 N -3.50 3.73 0.37 1.58 0.00 -1.26 -4.90 121.76 117.79 1xrh s ALA 183 Ca 0.28 -0.31 0.16 0.00 0.00 0.00 0.00 51.96 52.09 1xrh s ALA 183 Cb 0.06 -2.30 1.06 0.00 0.00 0.00 0.00 23.12 21.94 1xrh s ALA 183 CO 0.08 0.49 1.73 2.35 0.00 0.00 0.00 175.76 180.41 1xrh h TRP 184 N 4.85 0.78 -1.00 0.00 2.91 -2.01 0.34 115.95 121.83 1xrh h TRP 184 Ca -0.52 0.03 0.22 0.00 1.13 0.00 0.00 58.89 59.75 1xrh h TRP 184 Cb 1.22 -0.22 -0.11 0.00 -0.51 0.00 0.00 29.16 29.54 1xrh h TRP 184 CO 0.72 0.02 0.62 0.78 -1.03 0.00 0.00 178.44 179.54 1xrh h GLY 185 N 0.42 1.66 1.26 2.65 0.00 -2.00 0.12 103.07 107.17 1xrh h GLY 185 Ca 0.64 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.66 1xrh h GLY 185 CO -0.39 -0.12 0.43 0.50 0.00 0.00 0.00 176.54 176.95 1xrh h LYS 186 N 0.62 0.98 -0.26 4.80 1.79 -1.33 -1.21 116.57 121.97 1xrh h LYS 186 Ca 0.59 -0.09 -0.10 0.00 -2.18 0.00 0.00 60.65 58.88 1xrh h LYS 186 Cb 1.12 -0.21 -0.01 0.00 -1.58 0.00 0.00 32.23 31.55 1xrh h LYS 186 CO -0.38 0.69 -0.25 0.28 -1.08 0.00 0.00 179.45 178.72 1xrh h VAL 187 N 1.00 1.26 -0.33 0.50 2.07 -0.86 -2.45 116.25 117.44 1xrh h VAL 187 Ca 0.26 -1.26 -0.16 0.00 0.82 0.00 0.00 66.70 66.36 1xrh h VAL 187 Cb -0.03 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 1xrh h VAL 187 CO -0.05 0.40 -0.44 -0.07 0.02 0.00 0.00 177.57 177.44 1xrh h LEU 188 N 0.44 0.91 -0.72 2.57 3.38 -0.84 -1.53 115.31 119.53 1xrh h LEU 188 Ca 0.06 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1xrh h LEU 188 Cb 0.66 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.12 1xrh h LEU 188 CO 0.05 1.21 0.46 0.44 0.09 0.00 0.00 178.44 180.70 1xrh h ASP 189 N 0.68 0.83 1.08 -0.43 3.45 -0.97 0.31 116.42 121.36 1xrh h ASP 189 Ca 0.04 -0.03 0.00 0.00 0.43 0.00 0.00 57.03 57.47 1xrh h ASP 189 Cb 1.02 -0.21 0.00 0.00 -0.56 0.00 0.00 39.33 39.58 1xrh h ASP 189 CO 0.10 0.62 0.00 0.00 -1.57 0.00 0.00 179.24 178.39 1xrh h ALA 190 N 1.25 1.00 -0.24 3.45 0.00 -1.37 -1.16 119.26 122.19 1xrh h ALA 190 Ca 0.26 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 55.02 1xrh h ALA 190 Cb -0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1xrh h ALA 190 CO -0.05 0.00 -0.45 -0.09 0.00 0.00 0.00 179.25 178.65 1xrh h ARG 191 N 0.00 0.73 0.00 0.00 9.65 0.56 -3.34 114.38 121.98 1xrh h ARG 191 Ca 0.00 -0.47 0.00 0.00 -1.10 0.00 0.00 59.98 58.41 1xrh h ARG 191 Cb 0.54 0.05 0.00 0.00 -1.39 0.00 0.00 29.97 29.17 1xrh h ARG 191 CO 0.00 1.09 0.00 0.43 2.80 0.00 0.00 179.97 184.29 1xrh n SER 192 N -4.15 0.00 -4.67 -3.80 7.64 0.21 -4.26 113.62 104.59 1xrh n SER 192 Ca -0.05 0.37 -0.42 0.00 1.01 0.00 0.00 58.87 59.77 1xrh n SER 192 Cb 0.57 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.74 1xrh n SER 192 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1xrh s ARG 193 N -0.74 4.22 0.00 1.43 0.52 -0.88 -5.10 118.95 118.40 1xrh s ARG 193 Ca 0.00 2.12 0.00 0.00 -0.52 0.00 0.00 55.73 57.33 1xrh s ARG 193 Cb 0.00 -3.77 0.00 0.00 0.52 0.00 0.00 34.95 31.70 1xrh s ARG 193 CO 0.00 -0.73 0.60 -1.71 0.02 0.00 0.00 175.30 173.48 1xrh n ASN 194 N 6.25 0.00 -4.18 0.23 5.15 -1.26 -4.52 115.26 116.93 1xrh n ASN 194 Ca 0.15 0.60 -0.25 0.00 -0.60 0.00 0.00 54.58 54.49 1xrh n ASN 194 Cb 0.43 -0.15 -0.08 0.00 -0.53 0.00 0.00 39.78 39.44 1xrh n ASN 194 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1xrh s SER 196 N -2.80 2.72 0.04 1.20 1.04 -1.26 -4.89 113.70 109.75 1xrh s SER 196 Ca 0.00 -1.63 -0.00 0.00 0.48 0.00 0.00 55.95 54.79 1xrh s SER 196 Cb 0.00 0.43 -0.03 0.00 0.10 0.00 0.00 66.02 66.51 1xrh s SER 196 CO 0.00 -0.89 -0.03 0.27 0.98 0.00 0.00 173.24 173.57 1xrh s ILE 197 N -3.23 0.20 0.36 -1.02 -5.25 0.10 -5.00 121.20 107.36 1xrh s ILE 197 Ca 0.25 -1.45 -0.27 0.00 -0.99 0.00 0.00 60.65 58.19 1xrh s ILE 197 Cb 0.03 -1.02 -0.12 0.00 2.95 0.00 0.00 42.46 44.30 1xrh s ILE 197 CO 0.14 -0.79 1.25 -2.65 -1.79 0.00 0.00 174.94 171.10 1xrh n PRO 198 N 0.71 1.99 0.00 0.37 -0.02 -1.26 -4.17 135.00 132.62 1xrh n PRO 198 Ca -0.18 0.70 0.01 0.00 -2.02 0.00 0.00 63.50 62.02 1xrh n PRO 198 Cb 0.59 -2.29 0.08 0.00 -0.02 0.00 0.00 33.50 31.86 1xrh n PRO 198 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1xrh n ASP 199 N 0.68 0.00 -0.01 2.55 5.75 -1.26 -3.03 116.55 121.22 1xrh n ASP 199 Ca 0.06 -1.05 0.07 0.00 -0.01 0.00 0.00 54.79 53.86 1xrh n ASP 199 Cb 0.37 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 40.32 1xrh n ASP 199 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1xrh n THR 200 N -0.58 0.11 0.40 2.12 -2.24 -1.26 -4.49 114.28 108.33 1xrh n THR 200 Ca 0.02 -0.42 -0.18 0.00 -2.27 0.00 0.00 64.05 61.20 1xrh n THR 200 Cb 0.01 0.04 -0.09 0.00 -2.10 0.00 0.00 70.33 68.19 1xrh n THR 200 CO 0.00 0.00 0.00 -0.50 -0.57 0.00 0.00 175.07 174.00 1xrh h TRP 201 N 0.00 -0.92 -4.31 4.78 4.06 -1.87 -3.43 115.95 114.27 1xrh h TRP 201 Ca -0.04 -0.02 -0.15 0.00 2.06 0.00 0.00 58.89 60.74 1xrh h TRP 201 Cb 0.90 0.31 -0.15 0.00 -1.00 0.00 0.00 29.16 29.21 1xrh h TRP 201 CO 0.00 -0.57 -0.67 0.00 -3.56 0.00 0.00 178.44 173.64 1xrh s ALA 202 N -6.04 0.68 0.31 1.49 0.00 -1.26 -1.24 121.76 115.68 1xrh s ALA 202 Ca -0.18 -1.33 0.09 0.00 0.00 0.00 0.00 51.96 50.54 1xrh s ALA 202 Cb 0.03 0.53 -0.05 0.00 0.00 0.00 0.00 23.12 23.63 1xrh s ALA 202 CO 0.62 -0.42 0.04 0.54 0.00 0.00 0.00 175.76 176.54 1xrh s VAL 203 N -3.97 3.09 0.31 0.00 0.11 0.16 -2.22 120.40 117.88 1xrh s VAL 203 Ca 0.15 -1.88 0.00 0.00 -2.93 0.00 0.00 61.98 57.32 1xrh s VAL 203 Cb 0.08 -2.85 0.06 0.00 -1.53 0.00 0.00 36.38 32.14 1xrh s VAL 203 CO -0.05 -0.28 0.43 -0.90 -3.33 0.00 0.00 175.10 170.97 1xrh n ASP 204 N -0.97 0.60 0.20 3.54 5.68 0.11 -0.25 116.55 125.45 1xrh n ASP 204 Ca -0.05 -1.50 0.15 0.00 -0.50 0.00 0.00 54.79 52.90 1xrh n ASP 204 Cb 0.60 -0.27 0.78 0.00 -1.14 0.00 0.00 41.12 41.09 1xrh n ASP 204 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 1xrh h LYS 205 N 0.00 0.00 -0.01 0.11 -0.00 -1.88 0.12 116.57 114.92 1xrh h LYS 205 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.51 1xrh h LYS 205 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.76 1xrh h LYS 205 CO 0.15 0.00 -0.42 0.09 -0.00 0.00 0.00 179.45 179.28 1xrh n ASN 206 N -4.06 0.95 0.00 7.07 5.03 -1.26 -4.84 115.26 118.15 1xrh n ASN 206 Ca 0.01 -0.75 0.00 0.00 0.87 0.00 0.00 54.58 54.71 1xrh n ASN 206 Cb 0.27 0.28 0.00 0.00 -1.02 0.00 0.00 39.78 39.31 1xrh n ASN 206 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1xrh n GLY 207 N 1.41 0.82 3.72 7.41 0.00 0.43 -4.69 105.19 114.29 1xrh n GLY 207 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 1xrh n GLY 207 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xrh s VAL 208 N -2.11 5.27 0.92 1.61 1.01 -1.26 -4.66 120.40 121.18 1xrh s VAL 208 Ca 0.00 0.64 -0.11 0.00 0.00 0.00 0.00 61.98 62.51 1xrh s VAL 208 Cb 0.00 -3.68 0.10 0.00 0.00 0.00 0.00 36.38 32.80 1xrh s VAL 208 CO 0.00 0.36 0.84 -0.81 0.00 0.00 0.00 175.10 175.49 1xrh n PRO 209 N 3.70 -0.36 -3.76 2.72 -0.04 -1.26 0.07 135.00 136.07 1xrh n PRO 209 Ca -0.11 -0.05 -0.10 0.00 -0.04 0.00 0.00 63.50 63.21 1xrh n PRO 209 Cb 0.52 -2.16 -0.05 0.00 -0.04 0.00 0.00 33.50 31.77 1xrh n PRO 209 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1xrh s THR 210 N -2.51 0.04 -0.86 0.52 -1.32 -0.94 -4.72 115.64 105.86 1xrh s THR 210 Ca 0.63 -0.86 0.11 0.00 -1.21 0.00 0.00 61.69 60.36 1xrh s THR 210 Cb -0.23 -1.55 -0.04 0.00 -1.51 0.00 0.00 72.50 69.17 1xrh s THR 210 CO 0.62 -0.19 0.60 0.41 -2.21 0.00 0.00 174.62 173.85 1xrh n THR 211 N -0.29 0.00 -3.14 5.08 -1.04 -1.26 -4.19 114.28 109.44 1xrh n THR 211 Ca -0.11 -0.33 -0.44 0.00 -2.04 0.00 0.00 64.05 61.13 1xrh n THR 211 Cb 0.63 1.09 -0.05 0.00 -1.82 0.00 0.00 70.33 70.17 1xrh n THR 211 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1xrh s ASP 212 N -1.67 6.20 0.59 8.00 3.68 -1.26 -0.72 116.67 131.48 1xrh s ASP 212 Ca 0.08 -1.21 0.39 0.00 2.13 0.00 0.00 52.55 53.94 1xrh s ASP 212 Cb 0.09 -2.29 2.09 0.00 -1.45 0.00 0.00 42.92 41.35 1xrh s ASP 212 CO 0.34 -1.01 2.20 1.55 0.13 0.00 0.00 175.17 178.38 1xrh h PRO 213 N 9.10 0.00 0.00 4.34 0.13 -1.90 0.41 132.00 144.08 1xrh h PRO 213 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1xrh h PRO 213 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1xrh h PRO 213 CO 1.04 0.00 -0.26 0.74 -0.23 0.00 0.00 178.00 179.29 1xrh h PHE 214 N 0.00 0.00 -0.00 1.56 -1.00 -1.91 -3.22 116.94 112.36 1xrh h PHE 214 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1xrh h PHE 214 Cb 0.06 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.62 1xrh h PHE 214 CO 0.00 0.00 -0.51 0.00 -1.61 0.00 0.00 178.31 176.19 1xrh n ALA 215 N -2.07 3.60 -1.78 2.45 0.00 0.14 -4.94 120.51 117.91 1xrh n ALA 215 Ca 0.03 -0.40 -0.42 0.00 0.00 0.00 0.00 53.44 52.65 1xrh n ALA 215 Cb 0.52 -1.07 -0.02 0.00 0.00 0.00 0.00 19.45 18.88 1xrh n ALA 215 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1xrh s VAL 216 N -2.87 2.15 -0.01 0.00 1.01 -1.06 -4.22 120.40 115.40 1xrh s VAL 216 Ca 0.14 0.12 0.02 0.00 0.00 0.00 0.00 61.98 62.25 1xrh s VAL 216 Cb 0.18 -3.07 -0.03 0.00 0.00 0.00 0.00 36.38 33.45 1xrh s VAL 216 CO 0.68 0.01 0.03 1.57 0.00 0.00 0.00 175.10 177.39 1xrh n HIS 217 N 2.96 0.00 -3.48 5.22 -0.00 0.65 -4.90 115.22 115.68 1xrh n HIS 217 Ca 0.11 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.20 1xrh n HIS 217 Cb 0.37 -0.07 -0.02 0.00 -0.12 0.00 0.00 29.99 30.15 1xrh n HIS 217 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1xrh s ALA 218 N -2.11 -1.76 0.64 1.57 0.00 -1.13 -4.98 121.76 113.99 1xrh s ALA 218 Ca -0.01 0.88 -0.05 0.00 0.00 0.00 0.00 51.96 52.78 1xrh s ALA 218 Cb 0.01 0.52 0.04 0.00 0.00 0.00 0.00 23.12 23.69 1xrh s ALA 218 CO 0.09 -0.70 0.94 -0.51 0.00 0.00 0.00 175.76 175.58 1xrh s LEU 219 N -2.50 3.02 0.07 0.00 1.43 -1.26 -0.67 118.68 118.77 1xrh s LEU 219 Ca 0.03 0.49 0.03 0.00 -1.03 0.00 0.00 54.13 53.65 1xrh s LEU 219 Cb -0.01 -3.23 -0.04 0.00 0.03 0.00 0.00 46.19 42.94 1xrh s LEU 219 CO -0.10 -1.35 0.04 -0.76 0.23 0.00 0.00 176.35 174.41 1xrh s LEU 220 N -5.09 3.64 0.29 1.79 1.43 -0.38 -2.55 118.68 117.81 1xrh s LEU 220 Ca 0.57 -0.06 -0.29 0.00 -1.03 0.00 0.00 54.13 53.32 1xrh s LEU 220 Cb -0.11 -2.30 -0.09 0.00 0.03 0.00 0.00 46.19 43.72 1xrh s LEU 220 CO 0.44 0.19 1.09 -2.16 0.23 0.00 0.00 176.35 176.14 1xrh s PRO 221 N -2.21 4.60 0.32 1.29 0.04 -1.26 -2.75 135.00 135.03 1xrh s PRO 221 Ca 0.26 1.77 -0.29 0.00 0.04 0.00 0.00 61.00 62.78 1xrh s PRO 221 Cb -0.12 -3.13 -0.11 0.00 0.04 0.00 0.00 34.50 31.18 1xrh s PRO 221 CO 0.19 0.19 1.43 0.00 0.04 0.00 0.00 177.00 178.85 1xrh s ALA 222 N -1.21 3.58 -1.63 8.56 0.00 0.12 -2.54 121.76 128.64 1xrh s ALA 222 Ca 0.46 1.41 -0.14 0.00 0.00 0.00 0.00 51.96 53.69 1xrh s ALA 222 Cb -0.31 -3.56 0.12 0.00 0.00 0.00 0.00 23.12 19.37 1xrh s ALA 222 CO 0.40 -0.84 0.71 0.00 0.00 0.00 0.00 175.76 176.03 1xrh n ALA 223 N 1.25 -1.43 -0.11 0.00 0.00 -1.26 0.18 120.51 119.14 1xrh n ALA 223 Ca 0.03 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1xrh n ALA 223 Cb 0.40 -3.10 0.00 0.00 0.00 0.00 0.00 19.45 16.75 1xrh n ALA 223 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xrh n GLY 224 N -1.56 1.99 0.42 0.00 0.00 -1.05 -1.48 105.19 103.51 1xrh n GLY 224 Ca -0.01 0.49 0.23 0.00 0.00 0.00 0.00 46.02 46.72 1xrh n GLY 224 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1xrh h PRO 225 N 0.00 0.21 0.20 1.61 0.11 -1.90 -2.41 132.00 129.83 1xrh h PRO 225 Ca 0.00 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.09 1xrh h PRO 225 Cb 0.00 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.06 1xrh h PRO 225 CO 0.00 0.14 -0.10 0.87 -0.21 0.00 0.00 178.00 178.71 1xrh h LYS 226 N 0.22 -0.26 -0.95 1.05 1.57 -1.46 -1.56 116.57 115.17 1xrh h LYS 226 Ca 0.44 0.02 0.02 0.00 -1.87 0.00 0.00 60.65 59.26 1xrh h LYS 226 Cb 1.38 0.06 -0.05 0.00 0.08 0.00 0.00 32.23 33.70 1xrh h LYS 226 CO -0.10 0.06 0.63 0.78 -0.57 0.00 0.00 179.45 180.25 1xrh h GLY 227 N -0.60 1.36 0.97 3.86 0.00 0.12 0.01 103.07 108.79 1xrh h GLY 227 Ca -0.03 -0.49 0.00 0.00 0.00 0.00 0.00 47.33 46.82 1xrh h GLY 227 CO 0.05 0.46 0.06 -1.82 0.00 0.00 0.00 176.54 175.29 1xrh h TYR 228 N 1.26 0.12 -0.76 5.60 3.20 -1.47 -2.53 116.97 122.39 1xrh h TYR 228 Ca 0.36 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.21 1xrh h TYR 228 Cb -0.10 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.10 1xrh h TYR 228 CO -0.00 0.07 0.37 0.78 -1.64 0.00 0.00 178.16 177.74 1xrh h GLY 229 N 0.13 1.17 -5.26 1.82 0.00 -0.51 -3.50 103.07 96.92 1xrh h GLY 229 Ca 0.04 -0.58 -0.53 0.00 0.00 0.00 0.00 47.33 46.26 1xrh h GLY 229 CO -0.02 0.55 1.17 1.08 0.00 0.00 0.00 176.54 179.32 1xrh s LEU 230 N -9.84 4.40 0.00 3.11 1.43 -0.08 -5.01 118.68 112.69 1xrh s LEU 230 Ca -0.13 2.58 0.00 0.00 -1.03 0.00 0.00 54.13 55.55 1xrh s LEU 230 Cb 0.15 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.83 1xrh s LEU 230 CO 0.81 -1.01 0.00 -0.38 0.23 0.00 0.00 176.35 176.00 1xrh n ILE 234 N 5.39 0.00 0.01 -0.59 5.41 -1.26 -4.99 119.36 123.32 1xrh n ILE 234 Ca 0.19 0.00 -0.04 0.00 1.00 0.00 0.00 62.75 63.90 1xrh n ILE 234 Cb 0.41 0.00 0.18 0.00 -0.71 0.00 0.00 39.64 39.52 1xrh n ILE 234 CO 0.00 0.00 0.00 -0.78 0.00 0.00 0.00 176.55 175.77 1xrh h ASP 235 N 2.00 0.51 -0.32 4.38 1.82 -1.95 -1.05 116.42 121.81 1xrh h ASP 235 Ca 0.00 -0.18 -0.09 0.00 -0.39 0.00 0.00 57.03 56.36 1xrh h ASP 235 Cb 0.00 -0.14 -0.01 0.00 0.68 0.00 0.00 39.33 39.86 1xrh h ASP 235 CO 0.00 0.78 -0.16 0.58 -1.61 0.00 0.00 179.24 178.82 1xrh h VAL 236 N 0.43 1.29 0.00 2.25 2.07 -1.95 -1.30 116.25 119.05 1xrh h VAL 236 Ca 0.06 -1.28 -0.13 0.00 0.82 0.00 0.00 66.70 66.18 1xrh h VAL 236 Cb 0.73 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.92 1xrh h VAL 236 CO 0.06 0.41 -0.60 -0.07 0.02 0.00 0.00 177.57 177.39 1xrh h LEU 237 N 0.43 0.00 -1.59 2.57 3.38 -1.93 -1.43 115.31 116.75 1xrh h LEU 237 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1xrh h LEU 237 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1xrh h LEU 237 CO 0.05 0.60 0.00 -1.54 0.09 0.00 0.00 178.44 177.64 1xrh n SER 238 N -3.55 1.84 0.00 -0.43 3.41 -0.42 -4.63 113.62 109.85 1xrh n SER 238 Ca -0.00 -1.45 0.00 0.00 -0.26 0.00 0.00 58.87 57.16 1xrh n SER 238 Cb 0.66 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.58 1xrh n SER 238 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xrh n GLY 239 N 0.42 0.10 0.29 5.00 0.00 -0.52 -3.71 105.19 106.77 1xrh n GLY 239 Ca 0.05 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.12 1xrh n GLY 239 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1xrh h VAL 240 N 0.00 0.80 0.00 1.61 2.07 -1.46 0.20 116.25 119.47 1xrh h VAL 240 Ca 0.00 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 1xrh h VAL 240 Cb 0.00 0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 29.88 1xrh h VAL 240 CO 0.00 0.12 -0.04 0.25 0.02 0.00 0.00 177.57 177.92 1xrh h LEU 241 N 0.64 0.00 -2.08 2.57 5.85 -1.52 -1.88 115.31 118.88 1xrh h LEU 241 Ca 0.41 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.13 1xrh h LEU 241 Cb 0.49 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.52 1xrh h LEU 241 CO -0.31 0.04 0.00 0.18 -0.34 0.00 0.00 178.44 178.01 1xrh n LEU 242 N -4.47 3.05 -1.34 2.25 4.77 0.61 -4.94 117.00 116.93 1xrh n LEU 242 Ca -0.03 -1.47 -0.15 0.00 -0.03 0.00 0.00 56.01 54.33 1xrh n LEU 242 Cb 0.12 -0.34 -0.05 0.00 -2.33 0.00 0.00 43.42 40.82 1xrh n LEU 242 CO 0.34 0.74 -0.16 0.61 -1.33 0.00 0.00 177.39 177.59 1xrh n GLY 243 N 1.42 1.03 4.00 -0.72 0.00 -0.66 -4.99 105.19 105.27 1xrh n GLY 243 Ca 0.19 -0.28 -0.19 0.00 0.00 0.00 0.00 46.02 45.75 1xrh n GLY 243 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xrh s LEU 244 N -3.76 3.49 0.64 0.99 1.43 -0.78 -5.01 118.68 115.67 1xrh s LEU 244 Ca 0.00 -0.32 -0.18 0.00 -1.03 0.00 0.00 54.13 52.60 1xrh s LEU 244 Cb 0.00 -2.64 -0.03 0.00 0.03 0.00 0.00 46.19 43.56 1xrh s LEU 244 CO 0.00 -0.94 1.07 -2.65 0.23 0.00 0.00 176.35 174.05 1xrh n PRO 245 N -2.05 0.89 -4.17 1.29 -0.02 -1.26 -4.47 135.00 125.20 1xrh n PRO 245 Ca 0.09 0.35 -0.11 0.00 -2.02 0.00 0.00 63.50 61.81 1xrh n PRO 245 Cb 0.59 -2.29 -0.10 0.00 -0.02 0.00 0.00 33.50 31.69 1xrh n PRO 245 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 1xrh s PHE 246 N -1.52 1.05 0.00 6.00 -0.12 -1.26 -4.66 117.98 117.47 1xrh s PHE 246 Ca 0.78 -1.30 0.00 0.00 -0.05 0.00 0.00 56.93 56.36 1xrh s PHE 246 Cb -0.39 -0.48 0.00 0.00 -0.63 0.00 0.00 43.02 41.51 1xrh s PHE 246 CO 0.45 -0.65 0.00 0.41 -0.05 0.00 0.00 175.22 175.38 1xrh n GLY 247 N -0.25 3.10 0.00 1.99 0.00 -1.26 -0.88 105.19 107.89 1xrh n GLY 247 Ca 0.01 -0.11 0.08 0.00 0.00 0.00 0.00 46.02 46.00 1xrh n GLY 247 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1xrh n ARG 248 N 14.00 0.32 0.16 1.61 1.85 -1.00 -2.18 116.66 131.43 1xrh n ARG 248 Ca 0.00 0.09 0.13 0.00 -1.00 0.00 0.00 57.85 57.07 1xrh n ARG 248 Cb 0.00 -1.50 0.29 0.00 -1.05 0.00 0.00 32.46 30.20 1xrh n ARG 248 CO 0.00 0.00 0.00 1.96 -0.01 0.00 0.00 177.63 179.58 1xrh h GLN 249 N 0.00 0.00 -6.90 2.89 4.20 -1.32 -3.47 115.11 110.51 1xrh h GLN 249 Ca 0.00 0.00 -0.54 0.00 0.06 0.00 0.00 58.65 58.17 1xrh h GLN 249 Cb 0.12 0.00 0.10 0.00 0.30 0.00 0.00 27.48 28.00 1xrh h GLN 249 CO 0.00 0.00 0.81 0.28 -0.67 0.00 0.00 178.83 179.25 1xrh n VAL 250 N -2.69 1.73 -1.63 -0.54 0.31 -0.92 -4.70 118.33 109.89 1xrh n VAL 250 Ca 0.05 -0.43 -0.33 0.00 -0.01 0.00 0.00 64.34 63.61 1xrh n VAL 250 Cb 0.48 -1.99 0.06 0.00 -0.91 0.00 0.00 33.84 31.49 1xrh n VAL 250 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1xrh s SER 251 N 0.05 4.78 0.00 4.52 1.04 -1.26 -4.57 113.70 118.26 1xrh s SER 251 Ca 0.56 2.10 0.00 0.00 0.48 0.00 0.00 55.95 59.09 1xrh s SER 251 Cb -0.48 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.08 1xrh s SER 251 CO 0.60 -1.85 0.00 -0.24 0.98 0.00 0.00 173.24 172.72 1xrh n SER 252 N -2.57 0.00 0.00 7.02 2.88 -1.26 -4.25 113.62 115.44 1xrh n SER 252 Ca 0.11 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.65 1xrh n SER 252 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 1xrh n SER 252 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 1xrh n TYR 254 N 0.00 0.00 0.16 0.66 0.53 -1.26 -4.51 117.16 112.74 1xrh n TYR 254 Ca 0.00 0.00 -0.14 0.00 -1.02 0.00 0.00 57.90 56.74 1xrh n TYR 254 Cb 0.00 0.00 -0.07 0.00 -1.03 0.00 0.00 39.34 38.24 1xrh n TYR 254 CO 0.00 0.00 0.00 -0.44 -1.02 0.00 0.00 176.86 175.40 1xrh h ASP 255 N 0.00 -0.37 -0.75 7.72 3.45 -1.97 -3.43 116.42 121.06 1xrh h ASP 255 Ca 0.00 0.02 0.09 0.00 0.43 0.00 0.00 57.03 57.57 1xrh h ASP 255 Cb 0.00 0.11 -0.20 0.00 -0.56 0.00 0.00 39.33 38.68 1xrh h ASP 255 CO 0.00 -0.24 -0.26 -0.62 -1.57 0.00 0.00 179.24 176.55 1xrh s ASP 256 N -4.86 -1.24 0.47 6.45 3.68 -1.26 -5.00 116.67 114.91 1xrh s ASP 256 Ca -0.15 0.14 0.32 0.00 2.13 0.00 0.00 52.55 54.99 1xrh s ASP 256 Cb 0.06 1.78 1.71 0.00 -1.45 0.00 0.00 42.92 45.02 1xrh s ASP 256 CO 0.65 -0.23 1.98 -0.07 0.13 0.00 0.00 175.17 177.63 1xrh h LEU 257 N 7.75 0.00 -1.06 -1.34 -0.00 -1.93 -1.48 115.31 117.25 1xrh h LEU 257 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.84 1xrh h LEU 257 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.85 1xrh h LEU 257 CO 0.07 0.00 -0.20 1.41 -0.00 0.00 0.00 178.44 179.72 1xrh n HIS 258 N -2.63 0.00 -5.01 1.13 8.25 -1.26 -1.43 115.22 114.26 1xrh n HIS 258 Ca -0.02 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.12 1xrh n HIS 258 Cb 0.07 -0.03 -0.15 0.00 1.12 0.00 0.00 29.99 31.00 1xrh n HIS 258 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1xrh s ALA 259 N -2.27 2.47 0.60 -1.41 0.00 -0.56 -3.82 121.76 116.77 1xrh s ALA 259 Ca 0.27 -1.00 -0.18 0.00 0.00 0.00 0.00 51.96 51.05 1xrh s ALA 259 Cb 0.19 -0.89 -0.05 0.00 0.00 0.00 0.00 23.12 22.37 1xrh s ALA 259 CO 0.44 0.46 0.87 0.41 0.00 0.00 0.00 175.76 177.94 1xrh n GLY 260 N 2.72 -0.57 0.10 0.00 0.00 -1.23 -4.70 105.19 101.51 1xrh n GLY 260 Ca -0.17 -0.15 -0.04 0.00 0.00 0.00 0.00 46.02 45.66 1xrh n GLY 260 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1xrh h ARG 261 N 0.40 0.00 -1.17 1.61 2.47 -1.91 -3.48 114.38 112.31 1xrh h ARG 261 Ca -0.48 0.00 -0.32 0.00 -1.26 0.00 0.00 59.98 57.92 1xrh h ARG 261 Cb 1.37 0.00 -0.09 0.00 -1.65 0.00 0.00 29.97 29.60 1xrh h ARG 261 CO 0.50 0.78 -0.32 0.09 0.56 0.00 0.00 179.97 181.58 1xrh n ASN 262 N -3.59 -4.82 -4.76 7.04 3.02 -1.26 -4.33 115.26 106.56 1xrh n ASN 262 Ca -0.01 0.27 -0.33 0.00 -0.03 0.00 0.00 54.58 54.49 1xrh n ASN 262 Cb 0.76 -3.76 0.06 0.00 -0.61 0.00 0.00 39.78 36.23 1xrh n ASN 262 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1xrh s LEU 263 N -3.81 3.30 0.17 3.41 1.43 -1.26 -4.36 118.68 117.55 1xrh s LEU 263 Ca 0.00 2.00 0.11 0.00 -1.03 0.00 0.00 54.13 55.21 1xrh s LEU 263 Cb 0.00 -4.55 -0.04 0.00 0.03 0.00 0.00 46.19 41.63 1xrh s LEU 263 CO 0.00 -1.80 -0.25 -0.83 0.23 0.00 0.00 176.35 173.70 1xrh s GLY 264 N -2.69 1.64 0.01 -3.19 0.00 -1.26 -1.56 107.32 100.27 1xrh s GLY 264 Ca 0.66 -1.57 -0.01 0.00 0.00 0.00 0.00 44.72 43.81 1xrh s GLY 264 CO 0.45 -1.58 0.01 1.62 0.00 0.00 0.00 173.10 173.60 1xrh s GLN 265 N -2.44 0.18 -0.13 2.90 0.74 -0.48 -2.34 119.66 118.10 1xrh s GLN 265 Ca 0.18 -0.29 0.01 0.00 0.05 0.00 0.00 55.36 55.31 1xrh s GLN 265 Cb -0.09 0.07 0.02 0.00 1.10 0.00 0.00 33.01 34.11 1xrh s GLN 265 CO 0.08 -0.03 -0.16 -1.17 -0.55 0.00 0.00 175.29 173.46 1xrh s LEU 266 N -0.74 1.75 -0.07 3.68 2.96 -1.26 0.68 118.68 125.68 1xrh s LEU 266 Ca -0.08 -0.47 0.00 0.00 -0.22 0.00 0.00 54.13 53.36 1xrh s LEU 266 Cb -0.05 -1.17 -0.03 0.00 0.50 0.00 0.00 46.19 45.44 1xrh s LEU 266 CO -0.00 -0.01 -0.05 -1.00 -1.32 0.00 0.00 176.35 173.97 1xrh s HIS 267 N 1.17 3.01 -0.10 5.38 3.76 -0.43 -4.37 115.29 123.72 1xrh s HIS 267 Ca -0.02 0.07 0.02 0.00 -0.15 0.00 0.00 55.06 54.98 1xrh s HIS 267 Cb -0.14 -1.73 0.02 0.00 1.11 0.00 0.00 32.58 31.84 1xrh s HIS 267 CO -0.05 0.38 -0.13 0.42 -0.85 0.00 0.00 174.74 174.50 1xrh s ILE 268 N -0.85 1.31 -0.06 0.60 1.01 -0.17 -0.98 121.20 122.07 1xrh s ILE 268 Ca 0.13 -0.54 0.05 0.00 0.00 0.00 0.00 60.65 60.29 1xrh s ILE 268 Cb -0.11 -1.22 -0.01 0.00 0.01 0.00 0.00 42.46 41.14 1xrh s ILE 268 CO 0.02 0.40 -0.22 -0.69 0.00 0.00 0.00 174.94 174.45 1xrh s VAL 269 N 0.99 1.82 -0.11 2.92 1.01 0.43 -0.35 120.40 127.12 1xrh s VAL 269 Ca -0.07 -0.93 0.02 0.00 0.00 0.00 0.00 61.98 60.99 1xrh s VAL 269 Cb -0.15 -1.56 0.02 0.00 0.00 0.00 0.00 36.38 34.69 1xrh s VAL 269 CO -0.01 0.51 -0.15 -0.63 0.00 0.00 0.00 175.10 174.82 1xrh s ILE 270 N -0.01 1.49 -0.48 2.22 1.01 -0.64 -1.34 121.20 123.45 1xrh s ILE 270 Ca -0.06 -0.63 -0.22 0.00 0.00 0.00 0.00 60.65 59.74 1xrh s ILE 270 Cb -0.14 -1.36 0.03 0.00 0.01 0.00 0.00 42.46 41.00 1xrh s ILE 270 CO 0.04 0.44 0.74 0.21 0.00 0.00 0.00 174.94 176.37 1xrh s ASN 271 N 1.02 6.34 0.57 3.58 3.84 0.16 -1.21 114.94 129.23 1xrh s ASN 271 Ca -0.06 -0.37 0.29 0.00 0.21 0.00 0.00 52.86 52.94 1xrh s ASN 271 Cb -0.15 -2.36 1.47 0.00 -0.55 0.00 0.00 41.25 39.66 1xrh s ASN 271 CO -0.02 -0.93 1.90 -0.65 -2.79 0.00 0.00 177.10 174.61 1xrh h PRO 272 N 9.02 0.00 -0.00 0.43 0.11 -1.86 -1.20 132.00 138.49 1xrh h PRO 272 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1xrh h PRO 272 Cb 1.09 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 1xrh h PRO 272 CO 0.97 0.00 0.00 -0.91 -0.21 0.00 0.00 178.00 177.85 1xrh h ASN 273 N 0.00 0.00 -0.28 -2.05 4.21 -1.92 0.27 115.58 115.81 1xrh h ASN 273 Ca 0.27 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.78 1xrh h ASN 273 Cb 1.31 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.51 1xrh h ASN 273 CO -0.00 0.00 0.00 0.49 -1.29 0.00 0.00 177.43 176.63 1xrh n PHE 274 N -3.76 0.45 0.00 1.19 3.01 -0.45 -4.10 117.46 113.79 1xrh n PHE 274 Ca -0.03 -0.21 0.00 0.00 1.01 0.00 0.00 57.45 58.22 1xrh n PHE 274 Cb 0.08 -0.04 0.00 0.00 -0.01 0.00 0.00 39.48 39.52 1xrh n PHE 274 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1xrh n PHE 275 N 0.34 0.00 -3.90 1.38 3.01 -0.03 -5.09 117.46 113.17 1xrh n PHE 275 Ca 0.10 0.00 0.01 0.00 1.01 0.00 0.00 57.45 58.57 1xrh n PHE 275 Cb 0.30 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.77 1xrh n PHE 275 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1xrh n SER 276 N -1.33 -0.45 -4.67 4.37 3.41 -0.52 -5.11 113.62 109.32 1xrh n SER 276 Ca 0.00 -1.10 -0.45 0.00 -0.26 0.00 0.00 58.87 57.06 1xrh n SER 276 Cb 0.18 0.70 -0.04 0.00 -0.26 0.00 0.00 64.21 64.80 1xrh n SER 276 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1xrh n SER 277 N -0.51 3.83 0.18 4.04 2.88 -1.26 -4.07 113.62 118.71 1xrh n SER 277 Ca 0.02 0.94 0.04 0.00 -1.33 0.00 0.00 58.87 58.54 1xrh n SER 277 Cb 0.22 -1.46 0.32 0.00 -0.75 0.00 0.00 64.21 62.54 1xrh n SER 277 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1xrh h SER 278 N 9.80 0.00 -0.57 -3.46 4.64 -1.91 -1.49 113.55 120.56 1xrh h SER 278 Ca -0.49 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.80 1xrh h SER 278 Cb 1.25 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.32 1xrh h SER 278 CO 0.94 0.42 0.24 -0.08 -0.87 0.00 0.00 176.83 177.48 1xrh h GLU 279 N 0.00 0.84 0.00 4.77 4.81 -1.98 0.75 114.58 123.77 1xrh h GLU 279 Ca -0.00 -0.15 -0.11 0.00 -0.13 0.00 0.00 59.36 58.97 1xrh h GLU 279 Cb 0.88 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 30.10 1xrh h GLU 279 CO 0.05 0.72 -0.54 -0.07 -0.73 0.00 0.00 179.01 178.45 1xrh h LEU 280 N 0.78 0.00 0.62 1.64 3.38 -1.86 -1.96 115.31 117.91 1xrh h LEU 280 Ca 0.19 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.13 1xrh h LEU 280 Cb 0.18 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.94 1xrh h LEU 280 CO -0.02 0.54 -0.30 0.15 0.09 0.00 0.00 178.44 178.90 1xrh h PHE 281 N 0.00 -0.78 -0.84 1.13 3.57 -0.75 0.71 116.94 119.98 1xrh h PHE 281 Ca -0.01 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.52 1xrh h PHE 281 Cb 1.10 0.26 -0.05 0.00 2.79 0.00 0.00 35.95 40.04 1xrh h PHE 281 CO 0.00 -0.46 0.54 0.00 -2.23 0.00 0.00 178.31 176.16 1xrh h ARG 282 N -0.91 1.00 -0.66 1.11 3.08 -0.82 -1.02 114.38 116.17 1xrh h ARG 282 Ca -0.09 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 59.89 1xrh h ARG 282 Cb 0.67 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 30.46 1xrh h ARG 282 CO 0.14 0.66 0.34 0.37 -1.07 0.00 0.00 179.97 180.41 1xrh h GLN 283 N 1.03 0.93 0.00 0.04 4.15 -1.19 -2.23 115.11 117.84 1xrh h GLN 283 Ca 0.34 -0.12 -0.13 0.00 0.77 0.00 0.00 58.65 59.51 1xrh h GLN 283 Cb 0.04 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 27.54 1xrh h GLN 283 CO -0.13 0.72 -0.61 0.45 -1.93 0.00 0.00 178.83 177.34 1xrh h HIS 284 N 0.90 0.00 -0.46 3.99 3.86 -0.25 -1.23 115.15 121.96 1xrh h HIS 284 Ca 0.23 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.31 1xrh h HIS 284 Cb 0.08 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.54 1xrh h HIS 284 CO -0.00 0.61 -0.19 1.25 0.86 0.00 0.00 177.93 180.46 1xrh h LEU 285 N 0.00 0.97 -1.00 2.43 5.85 -1.03 0.19 115.31 122.71 1xrh h LEU 285 Ca -0.01 -0.39 -0.08 0.00 0.84 0.00 0.00 57.88 58.24 1xrh h LEU 285 Cb 1.09 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.84 1xrh h LEU 285 CO 0.08 1.14 -0.17 0.28 -0.34 0.00 0.00 178.44 179.43 1xrh h SER 286 N 0.79 0.51 -0.20 1.25 0.02 -1.23 -2.68 113.55 112.01 1xrh h SER 286 Ca 0.11 -0.15 -0.13 0.00 -0.84 0.00 0.00 61.79 60.78 1xrh h SER 286 Cb 0.76 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.15 1xrh h SER 286 CO 0.06 0.70 -0.33 -0.61 -1.14 0.00 0.00 176.83 175.51 1xrh h GLN 287 N 0.47 0.71 -0.67 3.45 4.15 -0.50 -1.51 115.11 121.22 1xrh h GLN 287 Ca 0.08 -0.33 0.00 0.00 0.77 0.00 0.00 58.65 59.17 1xrh h GLN 287 Cb 0.57 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.25 1xrh h GLN 287 CO 0.04 0.94 0.00 2.41 -1.93 0.00 0.00 178.83 180.29 1xrh n THR 288 N -4.07 0.00 0.00 2.39 -1.04 0.61 -1.20 114.28 110.97 1xrh n THR 288 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 1xrh n THR 288 Cb 0.49 -0.17 0.00 0.00 -1.82 0.00 0.00 70.33 68.83 1xrh n THR 288 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 1xrh n ARG 290 N 0.66 0.00 -0.02 -2.82 0.63 -0.57 -1.96 116.66 112.58 1xrh n ARG 290 Ca 0.00 0.00 -0.11 0.00 -0.92 0.00 0.00 57.85 56.82 1xrh n ARG 290 Cb 0.00 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 32.86 1xrh n ARG 290 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1xrh h GLU 291 N 0.00 0.18 -0.86 -0.14 5.08 -1.43 -2.04 114.58 115.37 1xrh h GLU 291 Ca 0.00 -0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.43 1xrh h GLU 291 Cb 0.00 -0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.14 1xrh h GLU 291 CO 0.00 0.22 0.51 -0.07 -1.00 0.00 0.00 179.01 178.66 1xrh h LEU 292 N 0.10 0.74 -1.36 1.33 3.38 -1.65 0.16 115.31 118.01 1xrh h LEU 292 Ca 0.04 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1xrh h LEU 292 Cb 0.09 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1xrh h LEU 292 CO -0.01 0.42 0.00 -1.13 0.09 0.00 0.00 178.44 177.82 1xrh h ASN 293 N 0.85 0.00 1.04 -0.43 -0.00 -1.64 -2.42 115.58 112.98 1xrh h ASN 293 Ca 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.71 1xrh h ASN 293 Cb 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.68 1xrh h ASN 293 CO -0.24 0.00 -0.81 0.00 -0.00 0.00 0.00 177.43 176.38 1xrh h ALA 294 N 2.07 0.56 -2.85 1.57 0.00 0.04 -3.40 119.26 117.25 1xrh h ALA 294 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 1xrh h ALA 294 Cb 0.44 0.00 0.09 0.00 0.00 0.00 0.00 17.79 18.32 1xrh h ALA 294 CO 0.00 0.00 0.86 0.42 0.00 0.00 0.00 179.25 180.53 1xrh s ILE 295 N -3.30 2.05 0.07 0.00 1.01 -0.77 -4.91 121.20 115.35 1xrh s ILE 295 Ca 0.02 0.04 -0.32 0.00 0.00 0.00 0.00 60.65 60.40 1xrh s ILE 295 Cb 0.10 -3.03 -0.11 0.00 0.01 0.00 0.00 42.46 39.44 1xrh s ILE 295 CO 0.76 0.01 1.86 0.41 0.00 0.00 0.00 174.94 177.98 1xrh n THR 296 N 1.64 0.48 -2.75 2.92 -1.04 -1.26 -4.33 114.28 109.94 1xrh n THR 296 Ca 0.06 -0.09 -0.34 0.00 -2.04 0.00 0.00 64.05 61.64 1xrh n THR 296 Cb 0.38 -2.08 -0.06 0.00 -1.82 0.00 0.00 70.33 66.75 1xrh n THR 296 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1xrh s PRO 297 N 3.28 4.21 0.74 -2.82 0.04 -1.26 -4.98 135.00 134.20 1xrh s PRO 297 Ca 0.86 1.22 -0.11 0.00 0.04 0.00 0.00 61.00 63.00 1xrh s PRO 297 Cb -0.52 -2.29 0.04 0.00 0.04 0.00 0.00 34.50 31.76 1xrh s PRO 297 CO 0.41 -0.06 1.12 0.00 0.04 0.00 0.00 177.00 178.51 1xrh s ALA 298 N -2.02 2.83 0.24 8.56 0.00 -1.26 -4.89 121.76 125.21 1xrh s ALA 298 Ca 0.61 -0.45 -0.31 0.00 0.00 0.00 0.00 51.96 51.80 1xrh s ALA 298 Cb -0.13 -2.99 -0.13 0.00 0.00 0.00 0.00 23.12 19.87 1xrh s ALA 298 CO 0.17 -1.31 1.45 -2.30 0.00 0.00 0.00 175.76 173.77 1xrh n PRO 299 N -3.10 2.11 0.00 0.00 -0.02 -1.26 -1.66 135.00 131.07 1xrh n PRO 299 Ca 0.07 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 1xrh n PRO 299 Cb 0.58 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 1xrh n PRO 299 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xrh n GLY 300 N 2.30 0.51 3.07 -1.23 0.00 -1.26 -5.07 105.19 103.52 1xrh n GLY 300 Ca 0.12 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.91 1xrh n GLY 300 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xrh s PHE 301 N -2.00 1.35 0.04 1.61 0.40 -0.67 -5.02 117.98 113.69 1xrh s PHE 301 Ca 0.00 -0.36 -0.09 0.00 -0.60 0.00 0.00 56.93 55.88 1xrh s PHE 301 Cb 0.00 -0.92 -0.31 0.00 0.51 0.00 0.00 43.02 42.29 1xrh s PHE 301 CO 0.00 -0.13 1.00 -0.91 0.70 0.00 0.00 175.22 175.88 1xrh h ASN 302 N 6.29 0.60 -5.40 1.36 2.35 -1.97 -3.43 115.58 115.38 1xrh h ASN 302 Ca -0.33 -0.68 -0.17 0.00 -0.55 0.00 0.00 56.30 54.57 1xrh h ASN 302 Cb 1.17 -0.19 -0.10 0.00 0.05 0.00 0.00 38.32 39.25 1xrh h ASN 302 CO 0.48 1.55 -0.23 -1.58 -1.65 0.00 0.00 177.43 175.99 1xrh s GLN 303 N -2.62 1.62 -0.17 0.81 0.74 -1.26 -4.87 119.66 113.90 1xrh s GLN 303 Ca -0.08 -1.50 -0.02 0.00 0.05 0.00 0.00 55.36 53.81 1xrh s GLN 303 Cb 0.06 0.43 -0.02 0.00 1.10 0.00 0.00 33.01 34.58 1xrh s GLN 303 CO 0.90 -0.65 -0.07 0.08 -0.55 0.00 0.00 175.29 175.00 1xrh s VAL 304 N -3.69 3.41 -0.01 1.34 1.01 -1.26 -4.87 120.40 116.32 1xrh s VAL 304 Ca 0.28 -0.52 -0.01 0.00 0.00 0.00 0.00 61.98 61.74 1xrh s VAL 304 Cb 0.01 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 1xrh s VAL 304 CO 0.14 0.48 0.08 -0.31 0.00 0.00 0.00 175.10 175.48 1xrh s TYR 305 N 0.74 3.28 0.69 5.22 4.12 -1.26 -4.02 117.35 126.12 1xrh s TYR 305 Ca -0.03 0.21 -0.11 0.00 0.02 0.00 0.00 57.07 57.16 1xrh s TYR 305 Cb -0.15 -1.74 0.00 0.00 -1.52 0.00 0.00 41.96 38.55 1xrh s TYR 305 CO 0.02 0.55 1.06 1.52 0.02 0.00 0.00 175.55 178.72 1xrh s TYR 306 N -1.18 3.23 -0.30 2.71 -0.85 -1.26 -4.84 117.35 114.86 1xrh s TYR 306 Ca 0.22 1.34 -0.38 0.00 -0.52 0.00 0.00 57.07 57.74 1xrh s TYR 306 Cb -0.12 -2.87 -0.14 0.00 0.38 0.00 0.00 41.96 39.21 1xrh s TYR 306 CO 0.13 -1.14 1.94 -2.30 -1.52 0.00 0.00 175.55 172.66 1xrh n PRO 307 N -3.05 1.15 -0.15 -3.49 -0.02 -1.26 -1.16 135.00 127.01 1xrh n PRO 307 Ca 0.07 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 1xrh n PRO 307 Cb 0.54 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 1xrh n PRO 307 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xrh n GLY 308 N 5.25 1.66 0.36 -1.23 0.00 -1.25 -4.13 105.19 105.85 1xrh n GLY 308 Ca 0.33 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.40 1xrh n GLY 308 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1xrh h GLN 309 N 2.96 1.01 -0.98 1.61 4.15 -1.44 -0.75 115.11 121.67 1xrh h GLN 309 Ca 0.00 -0.06 0.08 0.00 0.77 0.00 0.00 58.65 59.43 1xrh h GLN 309 Cb 0.00 -0.23 -0.07 0.00 0.21 0.00 0.00 27.48 27.39 1xrh h GLN 309 CO 0.00 0.67 0.63 0.22 -1.93 0.00 0.00 178.83 178.41 1xrh h ASP 310 N 1.04 0.99 0.69 -0.69 1.82 -1.92 -0.01 116.42 118.34 1xrh h ASP 310 Ca 0.46 0.02 -0.09 0.00 -0.39 0.00 0.00 57.03 57.03 1xrh h ASP 310 Cb 0.35 -0.19 -0.01 0.00 0.68 0.00 0.00 39.33 40.16 1xrh h ASP 310 CO -0.23 0.61 -0.43 1.56 -1.61 0.00 0.00 179.24 179.14 1xrh h GLN 311 N 1.11 0.00 -0.35 0.28 4.20 -1.43 -2.95 115.11 115.98 1xrh h GLN 311 Ca 0.44 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 59.04 1xrh h GLN 311 Cb 0.23 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 1xrh h GLN 311 CO -0.19 0.43 -0.21 -0.44 -0.67 0.00 0.00 178.83 177.75 1xrh h ASP 312 N 0.00 0.80 -0.53 1.46 3.45 -0.35 -1.01 116.42 120.24 1xrh h ASP 312 Ca -0.00 -0.42 0.00 0.00 0.43 0.00 0.00 57.03 57.04 1xrh h ASP 312 Cb 0.89 -0.22 -0.03 0.00 -0.56 0.00 0.00 39.33 39.42 1xrh h ASP 312 CO 0.06 1.05 0.35 0.40 -1.57 0.00 0.00 179.24 179.52 1xrh h ILE 313 N 0.55 1.14 -0.36 0.35 2.04 -1.29 -0.32 117.51 119.63 1xrh h ILE 313 Ca 0.07 -0.26 -0.02 0.00 1.00 0.00 0.00 64.86 65.66 1xrh h ILE 313 Cb 0.77 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 1xrh h ILE 313 CO 0.06 0.13 0.15 0.11 0.00 0.00 0.00 178.15 178.61 1xrh h LYS 314 N 0.71 0.53 -0.84 2.37 1.57 -1.36 -1.60 116.57 117.95 1xrh h LYS 314 Ca 0.19 -0.09 0.04 0.00 -1.87 0.00 0.00 60.65 58.92 1xrh h LYS 314 Cb -0.08 -0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.09 1xrh h LYS 314 CO -0.04 0.50 0.53 0.37 -0.57 0.00 0.00 179.45 180.24 1xrh h GLN 315 N 0.43 1.00 -0.48 3.15 4.15 -0.80 0.35 115.11 122.90 1xrh h GLN 315 Ca 0.12 -0.06 -0.06 0.00 0.77 0.00 0.00 58.65 59.43 1xrh h GLN 315 Cb 0.16 -0.22 -0.02 0.00 0.21 0.00 0.00 27.48 27.61 1xrh h GLN 315 CO -0.01 0.66 0.09 0.00 -1.93 0.00 0.00 178.83 177.63 1xrh h ARG 316 N 1.03 0.79 -0.71 1.69 3.08 -0.80 -2.68 114.38 116.78 1xrh h ARG 316 Ca 0.34 -0.21 -0.05 0.00 0.07 0.00 0.00 59.98 60.13 1xrh h ARG 316 Cb 0.04 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 29.96 1xrh h ARG 316 CO -0.13 0.79 0.24 -0.22 -1.07 0.00 0.00 179.97 179.58 1xrh h LYS 317 N 0.67 1.10 -0.86 0.04 3.64 -0.80 -2.82 116.57 117.54 1xrh h LYS 317 Ca 0.15 -0.23 0.10 0.00 -1.27 0.00 0.00 60.65 59.40 1xrh h LYS 317 Cb 0.38 -0.16 -0.08 0.00 -0.41 0.00 0.00 32.23 31.96 1xrh h LYS 317 CO 0.01 0.94 0.50 0.00 -2.27 0.00 0.00 179.45 178.62 1xrh h ALA 318 N 1.11 1.25 0.00 5.00 0.00 -0.75 0.63 119.26 126.49 1xrh h ALA 318 Ca 0.23 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1xrh h ALA 318 Cb 0.28 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1xrh h ALA 318 CO -0.01 0.11 0.00 0.00 0.00 0.00 0.00 179.25 179.35 1xrh n ALA 319 N -2.38 1.38 -0.05 0.00 0.00 -1.03 0.00 120.51 118.44 1xrh n ALA 319 Ca 0.15 0.14 -0.11 0.00 0.00 0.00 0.00 53.44 53.62 1xrh n ALA 319 Cb 0.30 -1.36 -0.04 0.00 0.00 0.00 0.00 19.45 18.36 1xrh n ALA 319 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1xrh n VAL 320 N -2.25 1.08 0.87 0.00 0.31 0.14 -4.80 118.33 113.67 1xrh n VAL 320 Ca 0.01 0.01 0.11 0.00 -0.01 0.00 0.00 64.34 64.46 1xrh n VAL 320 Cb 0.14 -1.84 0.11 0.00 -0.91 0.00 0.00 33.84 31.34 1xrh n VAL 320 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1xrh n GLU 321 N -3.83 0.09 0.00 5.55 -0.58 0.20 -5.07 120.64 117.00 1xrh n GLU 321 Ca -0.20 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.55 1xrh n GLU 321 Cb 0.51 -1.53 0.00 0.00 -0.57 0.00 0.00 31.44 29.85 1xrh n GLU 321 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xrh n GLY 322 N 1.46 -1.46 3.47 0.62 0.00 0.10 -4.75 105.19 104.63 1xrh n GLY 322 Ca 0.04 -2.20 -0.33 0.00 0.00 0.00 0.00 46.02 43.53 1xrh n GLY 322 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xrh s ILE 323 N -0.56 3.34 0.04 -0.61 1.01 0.11 -4.22 121.20 120.30 1xrh s ILE 323 Ca 0.00 -0.59 -0.30 0.00 0.00 0.00 0.00 60.65 59.76 1xrh s ILE 323 Cb 0.00 -2.38 -0.04 0.00 0.01 0.00 0.00 42.46 40.05 1xrh s ILE 323 CO 0.00 0.56 0.96 -1.83 0.00 0.00 0.00 174.94 174.63 1xrh s GLU 324 N -0.23 4.60 -0.03 2.79 -1.05 -1.26 -0.17 118.70 123.35 1xrh s GLU 324 Ca 0.02 1.41 0.01 0.00 -0.15 0.00 0.00 54.97 56.26 1xrh s GLU 324 Cb -0.13 -3.43 0.02 0.00 -0.44 0.00 0.00 34.13 30.15 1xrh s GLU 324 CO 0.03 0.05 -0.05 -1.50 0.95 0.00 0.00 175.26 174.74 1xrh s ILE 325 N 0.64 0.54 0.20 1.83 2.07 -0.29 -4.96 121.20 121.24 1xrh s ILE 325 Ca 0.50 -0.17 -0.32 0.00 -1.41 0.00 0.00 60.65 59.25 1xrh s ILE 325 Cb -0.22 -0.54 -0.11 0.00 0.13 0.00 0.00 42.46 41.72 1xrh s ILE 325 CO 0.28 0.21 1.69 -0.69 -1.91 0.00 0.00 174.94 174.52 1xrh s VAL 326 N 0.64 2.16 0.41 4.00 1.01 -1.26 -2.98 120.40 124.38 1xrh s VAL 326 Ca -0.09 0.11 0.20 0.00 0.00 0.00 0.00 61.98 62.21 1xrh s VAL 326 Cb -0.12 -3.07 0.41 0.00 0.00 0.00 0.00 36.38 33.59 1xrh s VAL 326 CO 0.00 0.01 1.78 -2.24 0.00 0.00 0.00 175.10 174.65 1xrh h ASP 327 N 6.75 0.40 -0.46 3.32 -0.00 -1.94 -0.26 116.42 124.23 1xrh h ASP 327 Ca -0.43 0.07 -0.09 0.00 -0.00 0.00 0.00 57.03 56.59 1xrh h ASP 327 Cb 1.20 0.01 -0.02 0.00 -0.00 0.00 0.00 39.33 40.52 1xrh h ASP 327 CO 0.94 0.08 -0.03 0.44 -0.00 0.00 0.00 179.24 180.67 1xrh h ASP 328 N 0.35 0.87 -0.57 4.15 3.32 -1.99 -1.09 116.42 121.47 1xrh h ASP 328 Ca 0.59 -0.24 -0.05 0.00 0.02 0.00 0.00 57.03 57.35 1xrh h ASP 328 Cb 1.57 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.86 1xrh h ASP 328 CO -0.27 0.95 0.18 0.40 -1.72 0.00 0.00 179.24 178.78 1xrh h ILE 329 N 0.82 1.24 0.37 0.35 2.04 -1.42 0.98 117.51 121.89 1xrh h ILE 329 Ca 0.15 -0.81 -0.01 0.00 1.00 0.00 0.00 64.86 65.19 1xrh h ILE 329 Cb 0.53 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 1xrh h ILE 329 CO 0.03 0.30 -0.30 0.22 0.00 0.00 0.00 178.15 178.41 1xrh h TYR 330 N 0.80 -0.79 -0.78 1.37 3.20 -1.19 0.53 116.97 120.11 1xrh h TYR 330 Ca 0.18 -0.00 0.12 0.00 3.14 0.00 0.00 58.73 62.17 1xrh h TYR 330 Cb 0.28 0.30 -0.08 0.00 1.54 0.00 0.00 36.73 38.77 1xrh h TYR 330 CO 0.02 -0.44 0.39 0.37 -1.64 0.00 0.00 178.16 176.86 1xrh h GLN 331 N -0.67 0.59 -0.49 1.82 4.15 -1.01 0.19 115.11 119.70 1xrh h GLN 331 Ca -0.03 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.34 1xrh h GLN 331 Cb 0.58 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 28.12 1xrh h GLN 331 CO -0.01 0.39 0.25 -0.92 -1.93 0.00 0.00 178.83 176.61 1xrh h TYR 332 N 0.61 0.70 -0.40 3.99 3.20 -0.08 -2.16 116.97 122.84 1xrh h TYR 332 Ca 0.41 -0.03 -0.06 0.00 3.14 0.00 0.00 58.73 62.19 1xrh h TYR 332 Cb 0.51 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.54 1xrh h TYR 332 CO -0.10 0.54 -0.01 -0.07 -1.64 0.00 0.00 178.16 176.88 1xrh h LEU 333 N 0.65 0.61 -0.72 2.82 3.38 0.19 -2.84 115.31 119.41 1xrh h LEU 333 Ca 0.17 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1xrh h LEU 333 Cb 0.10 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1xrh h LEU 333 CO -0.02 0.69 -0.16 2.30 0.09 0.00 0.00 178.44 181.33 1xrh n ILE 334 N -4.24 0.00 -1.05 1.22 -5.35 -0.31 -4.87 119.36 104.76 1xrh n ILE 334 Ca 0.02 -0.19 0.00 0.00 -0.27 0.00 0.00 62.75 62.31 1xrh n ILE 334 Cb 0.28 0.49 0.00 0.00 -1.74 0.00 0.00 39.64 38.67 1xrh n ILE 334 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1xrh n SER 335 N -0.28 0.00 -0.10 7.28 3.41 -0.82 -5.00 113.62 118.11 1xrh n SER 335 Ca 0.15 -0.85 0.06 0.00 -0.26 0.00 0.00 58.87 57.97 1xrh n SER 335 Cb 0.36 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.27 1xrh n SER 335 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1xrh n ASP 336 N -2.54 0.85 -4.77 4.04 8.00 -1.26 -5.00 116.55 115.86 1xrh n ASP 336 Ca 0.00 -0.92 -0.36 0.00 0.71 0.00 0.00 54.79 54.22 1xrh n ASP 336 Cb 0.00 0.81 -0.00 0.00 -0.02 0.00 0.00 41.12 41.91 1xrh n ASP 336 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xrh s ALA 337 N -1.93 2.81 -0.14 2.24 0.00 -1.26 -4.95 121.76 118.53 1xrh s ALA 337 Ca 0.07 0.89 -0.17 0.00 0.00 0.00 0.00 51.96 52.74 1xrh s ALA 337 Cb 0.09 -3.38 -0.24 0.00 0.00 0.00 0.00 23.12 19.59 1xrh s ALA 337 CO 0.42 -0.75 0.42 -0.07 0.00 0.00 0.00 175.76 175.79 1xrh h LEU 338 N 1.55 0.23 -7.00 0.00 3.38 -1.94 -3.48 115.31 108.05 1xrh h LEU 338 Ca -0.50 -0.76 0.04 0.00 0.09 0.00 0.00 57.88 56.75 1xrh h LEU 338 Cb 1.26 -0.07 -0.21 0.00 0.09 0.00 0.00 40.66 41.73 1xrh h LEU 338 CO 0.58 1.57 -0.01 -0.72 0.09 0.00 0.00 178.44 179.95 1xrh s TYR 339 N -2.43 -1.13 0.00 1.13 -0.85 -1.26 -4.59 117.35 108.21 1xrh s TYR 339 Ca -0.23 2.17 0.00 0.00 -0.52 0.00 0.00 57.07 58.48 1xrh s TYR 339 Cb 0.05 0.68 0.00 0.00 0.38 0.00 0.00 41.96 43.07 1xrh s TYR 339 CO 0.70 -0.56 0.00 0.09 -1.52 0.00 0.00 175.55 174.26 1xrh n ASN 340 N 4.63 0.00 -4.72 -0.18 3.02 -1.26 -4.81 115.26 111.94 1xrh n ASN 340 Ca -0.18 0.28 -0.42 0.00 -0.03 0.00 0.00 54.58 54.24 1xrh n ASN 340 Cb 0.56 -0.31 -0.04 0.00 -0.61 0.00 0.00 39.78 39.39 1xrh n ASN 340 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1xrh s THR 341 N -0.61 4.46 0.14 3.41 -4.23 -1.26 -5.04 115.64 112.50 1xrh s THR 341 Ca 0.00 1.88 -0.03 0.00 -1.18 0.00 0.00 61.69 62.36 1xrh s THR 341 Cb 0.00 -4.20 -0.05 0.00 1.34 0.00 0.00 72.50 69.58 1xrh s THR 341 CO 0.00 0.21 0.35 -0.55 -0.54 0.00 0.00 174.62 174.09 1xrh s SER 342 N 0.57 6.45 -0.25 3.99 0.15 -1.26 -4.96 113.70 118.38 1xrh s SER 342 Ca 0.51 0.50 0.10 0.00 0.70 0.00 0.00 55.95 57.77 1xrh s SER 342 Cb -0.25 -2.05 0.70 0.00 -1.71 0.00 0.00 66.02 62.72 1xrh s SER 342 CO 0.30 0.05 1.66 -1.22 1.20 0.00 0.00 173.24 175.23 1xrh n TYR 343 N -0.03 2.06 1.32 3.44 4.02 -1.26 -5.19 117.16 121.51 1xrh n TYR 343 Ca -0.03 -0.88 0.11 0.00 -0.01 0.00 0.00 57.90 57.09 1xrh n TYR 343 Cb 0.52 -0.56 0.63 0.00 -0.02 0.00 0.00 39.34 39.91 1xrh n TYR 343 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94