#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xry s PRO 2 N 0.00 4.05 0.57 0.03 0.04 -1.26 -5.03 135.00 133.40 1xry s PRO 2 Ca 0.00 1.53 -0.18 0.00 0.04 0.00 0.00 61.00 62.39 1xry s PRO 2 Cb 0.00 -2.46 -0.05 0.00 0.04 0.00 0.00 34.50 32.03 1xry s PRO 2 CO 0.00 -0.24 1.12 -1.25 0.04 0.00 0.00 177.00 176.67 1xry s PRO 3 N -2.63 3.25 -0.05 0.56 0.04 -1.26 -4.96 135.00 129.95 1xry s PRO 3 Ca 0.60 1.54 -0.30 0.00 0.04 0.00 0.00 61.00 62.88 1xry s PRO 3 Cb -0.22 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.27 1xry s PRO 3 CO 0.28 -0.92 1.45 0.42 0.04 0.00 0.00 177.00 178.27 1xry s ILE 4 N -1.92 3.79 0.00 0.56 1.09 -1.26 -4.82 121.20 118.64 1xry s ILE 4 Ca 0.71 1.07 0.00 0.00 -1.10 0.00 0.00 60.65 61.34 1xry s ILE 4 Cb -0.23 -3.69 0.00 0.00 -1.06 0.00 0.00 42.46 37.48 1xry s ILE 4 CO 0.30 -0.05 0.00 0.35 -0.10 0.00 0.00 174.94 175.44 1xry n THR 5 N 5.06 0.00 -0.57 2.92 -2.24 -1.26 -4.87 114.28 113.33 1xry n THR 5 Ca 0.15 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.78 1xry n THR 5 Cb 0.44 1.05 0.15 0.00 -2.10 0.00 0.00 70.33 69.87 1xry n THR 5 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xry n GLN 6 N 0.00 2.12 -0.31 -0.78 1.13 -1.26 -4.60 117.38 113.68 1xry n GLN 6 Ca 0.00 -2.16 0.14 0.00 -1.94 0.00 0.00 57.00 53.03 1xry n GLN 6 Cb 0.03 -1.87 0.32 0.00 0.11 0.00 0.00 30.24 28.83 1xry n GLN 6 CO 0.00 0.00 0.00 1.96 -1.44 0.00 0.00 177.06 177.58 1xry h GLN 7 N 0.97 0.41 -0.62 -1.09 7.50 -1.99 -0.26 115.11 120.04 1xry h GLN 7 Ca 0.40 -0.02 0.07 0.00 0.50 0.00 0.00 58.65 59.60 1xry h GLN 7 Cb 2.25 -0.09 -0.06 0.00 0.05 0.00 0.00 27.48 29.63 1xry h GLN 7 CO 0.74 0.27 0.31 0.00 -1.50 0.00 0.00 178.83 178.65 1xry h ALA 8 N 1.71 0.83 0.04 3.87 0.00 -2.00 -1.35 119.26 122.36 1xry h ALA 8 Ca 0.57 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.44 1xry h ALA 8 Cb 1.09 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.84 1xry h ALA 8 CO -0.52 -0.06 -0.37 1.15 0.00 0.00 0.00 179.25 179.45 1xry h THR 9 N 0.56 1.60 0.07 0.00 2.02 -1.49 -3.19 112.91 112.48 1xry h THR 9 Ca 0.29 -2.26 0.01 0.00 0.77 0.00 0.00 66.41 65.23 1xry h THR 9 Cb 0.26 3.08 -0.02 0.00 -1.74 0.00 0.00 68.15 69.73 1xry h THR 9 CO -0.22 0.62 -0.15 0.58 0.37 0.00 0.00 175.52 176.72 1xry h VAL 10 N -0.59 0.65 0.00 3.16 2.07 -1.06 -0.93 116.25 119.55 1xry h VAL 10 Ca -0.06 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 1xry h VAL 10 Cb 1.22 0.65 -0.00 0.00 -1.52 0.00 0.00 31.29 31.64 1xry h VAL 10 CO 0.07 0.00 -0.04 0.71 0.02 0.00 0.00 177.57 178.33 1xry h THR 11 N -0.29 0.25 0.15 2.57 1.35 -1.41 0.21 112.91 115.75 1xry h THR 11 Ca 0.03 -0.28 -0.31 0.00 -0.55 0.00 0.00 66.41 65.30 1xry h THR 11 Cb 0.31 1.22 0.00 0.00 -1.73 0.00 0.00 68.15 67.95 1xry h THR 11 CO -0.10 0.04 -1.48 0.00 -0.25 0.00 0.00 175.52 173.73 1xry h ALA 12 N 1.96 0.16 0.00 6.62 0.00 -1.36 -3.38 119.26 123.26 1xry h ALA 12 Ca -0.00 -1.03 -0.23 0.00 0.00 0.00 0.00 54.91 53.65 1xry h ALA 12 Cb 0.21 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 1xry h ALA 12 CO 0.01 1.03 -1.65 0.91 0.00 0.00 0.00 179.25 179.54 1xry n TRP 13 N -3.52 0.86 -0.27 0.00 8.01 -0.42 -4.32 117.44 117.78 1xry n TRP 13 Ca -0.15 0.30 0.08 0.00 -1.31 0.00 0.00 57.50 56.41 1xry n TRP 13 Cb 1.05 -1.10 0.22 0.00 -2.01 0.00 0.00 31.31 29.47 1xry n TRP 13 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.69 177.93 1xry h LEU 14 N 0.00 0.27 -1.27 -0.99 5.85 -0.76 0.13 115.31 118.54 1xry h LEU 14 Ca -0.25 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.60 1xry h LEU 14 Cb 1.81 0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.95 1xry h LEU 14 CO 0.06 0.06 0.00 -0.65 -0.34 0.00 0.00 178.44 177.57 1xry h PRO 15 N 0.42 0.00 0.00 5.25 0.11 -1.77 -2.53 132.00 133.48 1xry h PRO 15 Ca 0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.57 1xry h PRO 15 Cb 0.76 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.87 1xry h PRO 15 CO -0.45 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 178.38 1xry n GLN 16 N -2.38 0.06 -1.99 1.05 6.02 0.47 -4.78 117.38 115.82 1xry n GLN 16 Ca -0.00 0.11 -0.42 0.00 -0.01 0.00 0.00 57.00 56.68 1xry n GLN 16 Cb 0.14 -1.58 -0.03 0.00 1.02 0.00 0.00 30.24 29.79 1xry n GLN 16 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1xry s VAL 17 N -3.04 3.33 -0.28 5.09 1.01 -0.96 -4.97 120.40 120.58 1xry s VAL 17 Ca 0.11 0.64 -0.05 0.00 0.00 0.00 0.00 61.98 62.68 1xry s VAL 17 Cb 0.15 -3.41 0.01 0.00 0.00 0.00 0.00 36.38 33.13 1xry s VAL 17 CO 0.48 -0.02 0.05 -0.62 0.00 0.00 0.00 175.10 174.99 1xry s ASP 18 N 2.71 4.94 0.54 3.32 3.68 -1.26 -4.98 116.67 125.61 1xry s ASP 18 Ca 0.73 -0.76 0.19 0.00 2.13 0.00 0.00 52.55 54.84 1xry s ASP 18 Cb -0.36 -1.83 1.40 0.00 -1.45 0.00 0.00 42.92 40.68 1xry s ASP 18 CO 0.31 -0.18 2.17 0.00 0.13 0.00 0.00 175.17 177.60 1xry h ALA 19 N 8.18 1.88 -0.06 3.66 0.00 -1.89 -1.63 119.26 129.39 1xry h ALA 19 Ca -0.31 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.49 1xry h ALA 19 Cb 1.12 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1xry h ALA 19 CO 0.59 0.01 -0.45 0.77 0.00 0.00 0.00 179.25 180.17 1xry h SER 20 N 0.00 0.16 -0.34 0.00 0.02 -1.94 -1.48 113.55 109.97 1xry h SER 20 Ca -0.00 -0.07 -0.07 0.00 -0.84 0.00 0.00 61.79 60.82 1xry h SER 20 Cb 0.01 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 1xry h SER 20 CO 0.00 0.59 -0.05 1.56 -1.14 0.00 0.00 176.83 177.79 1xry h GLN 21 N 0.12 0.63 0.14 3.45 1.08 -1.73 -0.68 115.11 118.11 1xry h GLN 21 Ca 0.01 -0.23 -0.01 0.00 -1.45 0.00 0.00 58.65 56.98 1xry h GLN 21 Cb 0.85 -0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 28.24 1xry h GLN 21 CO 0.07 0.78 -0.07 0.82 -0.95 0.00 0.00 178.83 179.47 1xry h ILE 22 N 0.42 0.85 0.00 2.54 2.04 -1.22 -1.39 117.51 120.75 1xry h ILE 22 Ca 0.09 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.90 1xry h ILE 22 Cb 0.53 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 1xry h ILE 22 CO 0.03 0.00 -0.25 0.71 0.00 0.00 0.00 178.15 178.64 1xry h THR 23 N -0.20 1.02 -0.48 -0.27 1.35 -1.28 -1.29 112.91 111.76 1xry h THR 23 Ca -0.02 -0.91 -0.03 0.00 -0.55 0.00 0.00 66.41 64.91 1xry h THR 23 Cb 0.16 1.51 -0.02 0.00 -1.73 0.00 0.00 68.15 68.07 1xry h THR 23 CO 0.02 0.25 0.20 1.23 -0.25 0.00 0.00 175.52 176.97 1xry h GLY 24 N 0.95 0.77 0.91 5.82 0.00 -0.50 -0.17 103.07 110.85 1xry h GLY 24 Ca -0.00 -0.41 -0.07 0.00 0.00 0.00 0.00 47.33 46.85 1xry h GLY 24 CO 0.03 0.39 -0.07 -0.84 0.00 0.00 0.00 176.54 176.05 1xry h THR 25 N 0.64 1.28 -0.20 4.70 2.02 -0.64 -2.48 112.91 118.23 1xry h THR 25 Ca 0.16 -1.12 0.00 0.00 0.77 0.00 0.00 66.41 66.23 1xry h THR 25 Cb 0.18 1.35 -0.01 0.00 -1.74 0.00 0.00 68.15 67.93 1xry h THR 25 CO -0.01 0.36 0.13 0.40 0.37 0.00 0.00 175.52 176.77 1xry h ILE 26 N 0.39 1.06 -0.25 3.11 2.04 -1.08 -0.99 117.51 121.79 1xry h ILE 26 Ca 0.08 -0.14 -0.02 0.00 1.00 0.00 0.00 64.86 65.79 1xry h ILE 26 Cb 0.56 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 1xry h ILE 26 CO 0.03 0.06 0.08 0.77 0.00 0.00 0.00 178.15 179.09 1xry h SER 27 N 0.26 0.32 -0.10 1.72 4.64 -1.02 -0.98 113.55 118.39 1xry h SER 27 Ca 0.07 -0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 61.34 1xry h SER 27 Cb -0.01 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 61.99 1xry h SER 27 CO -0.02 0.31 -0.03 0.28 -0.87 0.00 0.00 176.83 176.51 1xry h SER 28 N 0.36 0.20 -0.77 4.97 0.02 -0.93 -3.01 113.55 114.39 1xry h SER 28 Ca 0.09 -0.37 -0.03 0.00 -0.84 0.00 0.00 61.79 60.64 1xry h SER 28 Cb 0.11 -0.06 -0.04 0.00 0.14 0.00 0.00 62.40 62.56 1xry h SER 28 CO -0.01 0.53 0.36 -0.07 -1.14 0.00 0.00 176.83 176.50 1xry h LEU 29 N -0.13 1.01 0.00 5.07 3.38 -0.76 -1.56 115.31 122.34 1xry h LEU 29 Ca 0.03 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1xry h LEU 29 Cb 0.44 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1xry h LEU 29 CO 0.01 0.86 0.00 -1.84 0.09 0.00 0.00 178.44 177.56 1xry n GLU 30 N -4.31 0.35 0.17 1.13 0.28 -0.41 -2.34 120.64 115.51 1xry n GLU 30 Ca 0.07 0.08 0.05 0.00 -0.16 0.00 0.00 57.16 57.21 1xry n GLU 30 Cb 0.14 -1.50 0.24 0.00 1.43 0.00 0.00 31.44 31.76 1xry n GLU 30 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 177.13 177.74 1xry h SER 31 N 0.00 0.00 -3.64 -1.84 0.02 -1.14 -3.43 113.55 103.51 1xry h SER 31 Ca 0.00 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 60.43 1xry h SER 31 Cb 0.14 0.00 0.04 0.00 0.14 0.00 0.00 62.40 62.72 1xry h SER 31 CO 0.00 0.41 0.60 -0.36 -1.14 0.00 0.00 176.83 176.34 1xry s PHE 32 N -3.39 3.29 0.25 3.45 0.40 -0.99 -4.88 117.98 116.10 1xry s PHE 32 Ca 0.01 1.41 -0.06 0.00 -0.60 0.00 0.00 56.93 57.70 1xry s PHE 32 Cb 0.10 -3.53 0.46 0.00 0.51 0.00 0.00 43.02 40.55 1xry s PHE 32 CO 0.70 -1.49 1.65 1.15 0.70 0.00 0.00 175.22 177.93 1xry h THR 33 N 3.38 0.38 -2.86 0.64 2.02 -1.88 -3.42 112.91 111.16 1xry h THR 33 Ca -0.46 -0.05 0.07 0.00 0.77 0.00 0.00 66.41 66.74 1xry h THR 33 Cb 1.22 0.22 -0.07 0.00 -1.74 0.00 0.00 68.15 67.78 1xry h THR 33 CO 0.71 0.03 0.28 0.54 0.37 0.00 0.00 175.52 177.44 1xry s ASN 34 N -5.19 -0.32 -0.26 4.18 2.20 -1.26 -0.27 114.94 114.03 1xry s ASN 34 Ca -0.13 -0.42 0.12 0.00 -0.94 0.00 0.00 52.86 51.49 1xry s ASN 34 Cb 0.22 0.65 0.46 0.00 -2.00 0.00 0.00 41.25 40.58 1xry s ASN 34 CO 0.75 -1.16 1.18 0.54 -2.94 0.00 0.00 177.10 175.47 1xry n ARG 35 N -0.43 2.77 -2.06 3.55 1.74 -1.26 -3.67 116.66 117.30 1xry n ARG 35 Ca -0.07 -3.81 -0.38 0.00 -0.77 0.00 0.00 57.85 52.82 1xry n ARG 35 Cb 0.61 -1.94 0.01 0.00 -1.02 0.00 0.00 32.46 30.11 1xry n ARG 35 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 1xry s PHE 36 N -3.42 2.70 0.57 -1.55 5.36 -1.22 -2.45 117.98 117.97 1xry s PHE 36 Ca 0.43 1.45 0.37 0.00 -0.96 0.00 0.00 56.93 58.22 1xry s PHE 36 Cb 0.38 -3.60 2.04 0.00 -0.34 0.00 0.00 43.02 41.50 1xry s PHE 36 CO -0.00 -2.08 2.27 0.10 -1.46 0.00 0.00 175.22 174.04 1xry h TYR 37 N 2.14 0.00 -0.43 10.12 -0.00 -1.92 -2.76 116.97 124.14 1xry h TYR 37 Ca -0.50 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.23 1xry h TYR 37 Cb 1.26 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.99 1xry h TYR 37 CO 0.51 0.02 0.00 0.25 -0.00 0.00 0.00 178.16 178.94 1xry n THR 38 N -3.40 1.14 -4.09 -0.90 -2.24 -1.26 -3.24 114.28 100.29 1xry n THR 38 Ca -0.03 -1.08 -0.22 0.00 -2.27 0.00 0.00 64.05 60.46 1xry n THR 38 Cb 0.11 0.42 -0.04 0.00 -2.10 0.00 0.00 70.33 68.72 1xry n THR 38 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1xry s THR 39 N -1.18 4.38 0.22 4.28 -4.23 -1.04 -4.96 115.64 113.11 1xry s THR 39 Ca 0.31 -1.40 -0.07 0.00 -1.18 0.00 0.00 61.69 59.34 1xry s THR 39 Cb 0.17 -3.39 0.18 0.00 1.34 0.00 0.00 72.50 70.80 1xry s THR 39 CO 0.19 -0.34 1.81 0.71 -0.54 0.00 0.00 174.62 176.45 1xry h THR 40 N 1.47 1.26 -0.13 3.99 1.35 -1.92 -1.69 112.91 117.25 1xry h THR 40 Ca -0.48 -0.76 -0.07 0.00 -0.55 0.00 0.00 66.41 64.55 1xry h THR 40 Cb 1.24 0.21 -0.01 0.00 -1.73 0.00 0.00 68.15 67.86 1xry h THR 40 CO 0.61 0.32 -0.24 0.77 -0.25 0.00 0.00 175.52 176.73 1xry h SER 41 N 1.20 0.21 -0.40 5.36 4.64 -1.90 -0.59 113.55 122.07 1xry h SER 41 Ca 0.28 -0.06 -0.12 0.00 -0.47 0.00 0.00 61.79 61.42 1xry h SER 41 Cb 0.15 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.17 1xry h SER 41 CO -0.03 0.47 -0.21 1.23 -0.87 0.00 0.00 176.83 177.42 1xry h GLY 42 N 0.93 0.97 1.07 -0.77 0.00 -1.43 -0.81 103.07 103.04 1xry h GLY 42 Ca 0.03 -0.84 -0.15 0.00 0.00 0.00 0.00 47.33 46.38 1xry h GLY 42 CO 0.04 0.76 -0.36 0.00 0.00 0.00 0.00 176.54 176.98 1xry h ALA 43 N 0.98 0.50 -0.20 3.60 0.00 -0.89 -3.07 119.26 120.19 1xry h ALA 43 Ca 0.11 -0.44 -0.05 0.00 0.00 0.00 0.00 54.91 54.52 1xry h ALA 43 Cb 0.75 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1xry h ALA 43 CO 0.06 0.59 -0.10 1.96 0.00 0.00 0.00 179.25 181.75 1xry h GLN 44 N 0.64 0.32 -0.66 0.00 4.20 -0.93 -2.41 115.11 116.26 1xry h GLN 44 Ca 0.05 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.65 1xry h GLN 44 Cb 0.95 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.66 1xry h GLN 44 CO 0.09 0.43 0.24 0.00 -0.67 0.00 0.00 178.83 178.91 1xry h ALA 45 N 1.60 1.17 -0.17 3.87 0.00 -1.05 0.87 119.26 125.56 1xry h ALA 45 Ca 0.06 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1xry h ALA 45 Cb 0.37 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1xry h ALA 45 CO 0.02 0.59 0.07 1.03 0.00 0.00 0.00 179.25 180.96 1xry h SER 46 N 0.96 0.22 -0.87 0.00 0.87 -1.39 -1.06 113.55 112.29 1xry h SER 46 Ca 0.22 -0.14 0.01 0.00 -1.23 0.00 0.00 61.79 60.65 1xry h SER 46 Cb 0.23 -0.06 -0.04 0.00 -0.44 0.00 0.00 62.40 62.09 1xry h SER 46 CO -0.01 0.30 0.58 0.44 -0.53 0.00 0.00 176.83 177.61 1xry h ASP 47 N 0.13 0.99 -0.06 6.23 3.45 -1.07 -1.45 116.42 124.64 1xry h ASP 47 Ca 0.06 -0.02 -0.00 0.00 0.43 0.00 0.00 57.03 57.49 1xry h ASP 47 Cb 0.14 -0.24 -0.00 0.00 -0.56 0.00 0.00 39.33 38.67 1xry h ASP 47 CO -0.01 0.71 0.03 -0.25 -1.57 0.00 0.00 179.24 178.15 1xry h TRP 48 N 1.16 0.09 -0.81 4.55 7.01 -0.43 -1.18 115.95 126.34 1xry h TRP 48 Ca 0.33 -0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.31 1xry h TRP 48 Cb -0.10 -0.03 -0.04 0.00 -2.10 0.00 0.00 29.16 26.89 1xry h TRP 48 CO -0.00 0.19 0.49 0.82 -2.79 0.00 0.00 178.44 177.15 1xry h ILE 49 N -0.03 1.23 -0.33 2.65 2.04 -0.85 -1.12 117.51 121.09 1xry h ILE 49 Ca 0.02 -0.50 0.00 0.00 1.00 0.00 0.00 64.86 65.38 1xry h ILE 49 Cb 0.14 0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 36.29 1xry h ILE 49 CO -0.00 0.24 0.21 0.00 0.00 0.00 0.00 178.15 178.60 1xry h ALA 50 N 1.26 0.42 -0.69 1.87 0.00 -1.09 -0.39 119.26 120.64 1xry h ALA 50 Ca 0.29 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.18 1xry h ALA 50 Cb -0.04 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 1xry h ALA 50 CO -0.05 -0.10 0.45 1.03 0.00 0.00 0.00 179.25 180.57 1xry h SER 51 N 0.44 0.77 -0.18 0.00 0.87 -0.86 0.12 113.55 114.71 1xry h SER 51 Ca 0.12 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.65 1xry h SER 51 Cb -0.03 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 61.74 1xry h SER 51 CO -0.03 0.55 0.05 -0.33 -0.53 0.00 0.00 176.83 176.54 1xry h GLU 52 N 0.91 0.28 -0.19 2.24 4.39 -0.80 -2.23 114.58 119.19 1xry h GLU 52 Ca 0.26 -0.07 -0.08 0.00 0.34 0.00 0.00 59.36 59.81 1xry h GLU 52 Cb -0.07 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.53 1xry h GLU 52 CO -0.07 0.41 -0.24 -1.49 -1.16 0.00 0.00 179.01 176.46 1xry h TRP 53 N 0.10 0.38 -0.51 4.33 4.06 -0.88 -2.56 115.95 120.86 1xry h TRP 53 Ca 0.06 -0.07 -0.02 0.00 2.06 0.00 0.00 58.89 60.92 1xry h TRP 53 Cb 0.25 -0.10 -0.02 0.00 -1.00 0.00 0.00 29.16 28.29 1xry h TRP 53 CO 0.01 0.57 0.26 0.37 -3.56 0.00 0.00 178.44 176.08 1xry h GLN 54 N 0.31 0.73 -0.58 0.49 5.75 -0.59 0.10 115.11 121.33 1xry h GLN 54 Ca 0.05 -0.10 -0.01 0.00 -0.15 0.00 0.00 58.65 58.44 1xry h GLN 54 Cb 0.60 -0.14 -0.03 0.00 1.07 0.00 0.00 27.48 28.99 1xry h GLN 54 CO 0.04 0.60 0.31 0.00 -2.65 0.00 0.00 178.83 177.13 1xry h ALA 55 N 1.10 1.47 0.08 3.38 0.00 -1.07 -2.32 119.26 121.90 1xry h ALA 55 Ca 0.18 -0.09 -0.27 0.00 0.00 0.00 0.00 54.91 54.72 1xry h ALA 55 Cb 0.10 -0.23 0.02 0.00 0.00 0.00 0.00 17.79 17.67 1xry h ALA 55 CO -0.02 0.44 -1.15 -0.07 0.00 0.00 0.00 179.25 178.45 1xry h LEU 56 N 0.80 0.67 -0.42 0.00 3.38 -1.07 -3.25 115.31 115.43 1xry h LEU 56 Ca 0.20 -0.61 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1xry h LEU 56 Cb 0.03 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.56 1xry h LEU 56 CO -0.03 1.44 0.00 -1.54 0.09 0.00 0.00 178.44 178.39 1xry n SER 57 N -3.72 0.53 -0.25 -0.43 3.41 0.31 -3.60 113.62 109.86 1xry n SER 57 Ca -0.10 0.61 0.05 0.00 -0.26 0.00 0.00 58.87 59.17 1xry n SER 57 Cb 0.95 -0.73 0.16 0.00 -0.26 0.00 0.00 64.21 64.33 1xry n SER 57 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xry h ALA 58 N 2.39 0.82 0.30 7.33 0.00 -1.46 -2.85 119.26 125.80 1xry h ALA 58 Ca 0.00 0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1xry h ALA 58 Cb 0.41 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1xry h ALA 58 CO 0.00 -0.40 -0.15 0.77 0.00 0.00 0.00 179.25 179.47 1xry h SER 59 N 0.15 -0.35 -1.11 0.00 0.02 -1.81 -3.46 113.55 106.99 1xry h SER 59 Ca 0.41 0.01 -0.73 0.00 -0.84 0.00 0.00 61.79 60.64 1xry h SER 59 Cb 0.71 0.09 0.07 0.00 0.14 0.00 0.00 62.40 63.41 1xry h SER 59 CO -0.61 -0.19 -0.12 0.18 -1.14 0.00 0.00 176.83 174.95 1xry n LEU 60 N -3.42 -0.26 -4.83 5.07 4.77 -1.08 -4.97 117.00 112.28 1xry n LEU 60 Ca -0.05 1.15 -0.34 0.00 -0.03 0.00 0.00 56.01 56.74 1xry n LEU 60 Cb 0.16 -0.97 -0.06 0.00 -2.33 0.00 0.00 43.42 40.22 1xry n LEU 60 CO 0.12 -2.21 0.43 -2.84 -1.33 0.00 0.00 177.39 171.56 1xry s PRO 61 N -0.38 4.12 -0.35 3.23 0.02 -1.26 -3.92 135.00 136.46 1xry s PRO 61 Ca 0.80 0.78 0.00 0.00 0.02 0.00 0.00 61.00 62.59 1xry s PRO 61 Cb -1.10 -2.62 0.00 0.00 0.02 0.00 0.00 34.50 30.80 1xry s PRO 61 CO 0.56 0.25 0.00 0.09 -0.33 0.00 0.00 177.00 177.57 1xry n ASN 62 N 0.10 -4.90 -4.88 2.53 3.02 -1.26 -4.75 115.26 105.12 1xry n ASN 62 Ca 0.01 0.08 -0.35 0.00 -0.03 0.00 0.00 54.58 54.29 1xry n ASN 62 Cb 0.52 -2.69 -0.06 0.00 -0.61 0.00 0.00 39.78 36.95 1xry n ASN 62 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xry s ALA 63 N -1.62 3.87 -0.03 5.41 0.00 -1.25 -2.64 121.76 125.50 1xry s ALA 63 Ca 0.00 -0.71 -0.11 0.00 0.00 0.00 0.00 51.96 51.14 1xry s ALA 63 Cb 0.00 -1.89 0.02 0.00 0.00 0.00 0.00 23.12 21.24 1xry s ALA 63 CO 0.00 0.67 0.24 -1.54 0.00 0.00 0.00 175.76 175.13 1xry s SER 64 N -1.42 -0.14 -0.15 0.00 1.04 -0.66 -4.99 113.70 107.38 1xry s SER 64 Ca 0.20 0.10 -0.00 0.00 0.48 0.00 0.00 55.95 56.73 1xry s SER 64 Cb -0.12 0.34 -0.01 0.00 0.10 0.00 0.00 66.02 66.33 1xry s SER 64 CO 0.10 -0.33 -0.14 -0.69 0.98 0.00 0.00 173.24 173.17 1xry s VAL 65 N -0.96 2.86 0.07 5.02 1.01 -1.26 -1.63 120.40 125.52 1xry s VAL 65 Ca -0.10 -0.71 -0.00 0.00 0.00 0.00 0.00 61.98 61.16 1xry s VAL 65 Cb -0.05 -2.21 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 1xry s VAL 65 CO 0.02 0.51 -0.02 -1.59 0.00 0.00 0.00 175.10 174.02 1xry s LYS 66 N 0.64 0.71 -0.16 2.72 -2.85 -0.05 -5.00 119.74 115.75 1xry s LYS 66 Ca -0.07 -1.28 0.00 0.00 -1.00 0.00 0.00 55.97 53.61 1xry s LYS 66 Cb -0.16 0.13 0.00 0.00 -2.06 0.00 0.00 37.83 35.74 1xry s LYS 66 CO 0.03 -0.12 -0.16 -0.65 0.10 0.00 0.00 175.35 174.55 1xry s GLN 67 N -3.92 3.18 -0.14 1.78 -0.21 -1.26 -0.23 119.66 118.85 1xry s GLN 67 Ca 0.11 -0.76 -0.16 0.00 0.02 0.00 0.00 55.36 54.57 1xry s GLN 67 Cb 0.07 -2.64 -0.04 0.00 1.00 0.00 0.00 33.01 31.41 1xry s GLN 67 CO -0.07 -0.04 0.41 0.08 -2.12 0.00 0.00 175.29 173.55 1xry s VAL 68 N 0.95 5.23 0.36 1.09 1.01 -0.18 -4.91 120.40 123.95 1xry s VAL 68 Ca -0.03 0.79 -0.21 0.00 0.00 0.00 0.00 61.98 62.53 1xry s VAL 68 Cb -0.15 -3.75 -0.10 0.00 0.00 0.00 0.00 36.38 32.39 1xry s VAL 68 CO -0.03 0.33 0.88 -0.44 0.00 0.00 0.00 175.10 175.85 1xry s SER 69 N 0.64 7.02 0.10 3.32 0.01 -1.26 -2.24 113.70 121.29 1xry s SER 69 Ca 0.22 1.62 0.08 0.00 1.31 0.00 0.00 55.95 59.18 1xry s SER 69 Cb -0.14 -2.50 -0.04 0.00 0.21 0.00 0.00 66.02 63.55 1xry s SER 69 CO 0.08 -0.22 -0.21 -1.00 0.41 0.00 0.00 173.24 172.30 1xry s HIS 70 N -1.93 1.77 0.22 2.43 3.76 -1.26 -4.98 115.29 115.30 1xry s HIS 70 Ca 0.56 -0.42 -0.28 0.00 -0.15 0.00 0.00 55.06 54.76 1xry s HIS 70 Cb -0.12 -0.97 -0.09 0.00 1.11 0.00 0.00 32.58 32.51 1xry s HIS 70 CO 0.17 0.21 0.88 -1.12 -0.85 0.00 0.00 174.74 174.03 1xry s SER 71 N -1.94 7.53 0.00 1.40 0.01 -1.26 -4.08 113.70 115.36 1xry s SER 71 Ca 0.07 1.83 0.00 0.00 1.31 0.00 0.00 55.95 59.16 1xry s SER 71 Cb -0.10 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.57 1xry s SER 71 CO 0.04 0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.46 1xry n GLY 72 N 1.45 3.02 3.21 3.44 0.00 -1.26 -5.03 105.19 110.02 1xry n GLY 72 Ca -0.03 -0.85 -0.12 0.00 0.00 0.00 0.00 46.02 45.01 1xry n GLY 72 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1xry s TYR 73 N -0.92 1.09 -0.84 1.61 1.13 -1.26 -5.07 117.35 113.10 1xry s TYR 73 Ca 0.00 -0.98 0.24 0.00 -1.41 0.00 0.00 57.07 54.92 1xry s TYR 73 Cb 0.00 -0.62 0.38 0.00 -1.10 0.00 0.00 41.96 40.62 1xry s TYR 73 CO 0.00 -0.19 1.32 0.09 -2.51 0.00 0.00 175.55 174.26 1xry n ASN 74 N -0.17 0.58 -4.69 -0.18 3.02 -1.25 -4.55 115.26 108.02 1xry n ASN 74 Ca -0.09 -0.15 -0.42 0.00 -0.03 0.00 0.00 54.58 53.89 1xry n ASN 74 Cb 0.62 0.32 -0.03 0.00 -0.61 0.00 0.00 39.78 40.09 1xry n ASN 74 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1xry s GLN 75 N -3.08 4.33 0.04 3.52 0.74 -1.20 -4.83 119.66 119.18 1xry s GLN 75 Ca 0.08 1.84 0.00 0.00 0.05 0.00 0.00 55.36 57.34 1xry s GLN 75 Cb 0.16 -3.53 -0.04 0.00 1.10 0.00 0.00 33.01 30.70 1xry s GLN 75 CO 0.72 -0.49 0.14 0.15 -0.55 0.00 0.00 175.29 175.27 1xry s LYS 76 N 2.12 3.19 0.41 1.67 1.02 -1.26 -4.62 119.74 122.27 1xry s LYS 76 Ca 0.60 -0.50 -0.20 0.00 0.02 0.00 0.00 55.97 55.89 1xry s LYS 76 Cb -0.29 -2.92 -0.11 0.00 -0.52 0.00 0.00 37.83 34.00 1xry s LYS 76 CO 0.25 0.62 0.91 -1.12 -0.92 0.00 0.00 175.35 175.09 1xry s SER 77 N -2.19 6.91 -0.12 2.83 0.01 -0.95 -4.52 113.70 115.66 1xry s SER 77 Ca 0.29 1.61 -0.03 0.00 1.31 0.00 0.00 55.95 59.13 1xry s SER 77 Cb -0.12 -2.51 -0.03 0.00 0.21 0.00 0.00 66.02 63.57 1xry s SER 77 CO 0.21 -0.32 -0.02 -0.69 0.41 0.00 0.00 173.24 172.83 1xry s VAL 78 N -2.13 4.09 -0.07 3.43 1.01 0.54 -1.01 120.40 126.26 1xry s VAL 78 Ca 0.60 -0.31 -0.01 0.00 0.00 0.00 0.00 61.98 62.27 1xry s VAL 78 Cb -0.09 -2.76 0.03 0.00 0.00 0.00 0.00 36.38 33.55 1xry s VAL 78 CO 0.14 0.54 -0.02 -0.69 0.00 0.00 0.00 175.10 175.07 1xry s VAL 79 N -0.22 0.53 -0.15 2.92 1.01 0.68 -0.61 120.40 124.56 1xry s VAL 79 Ca 0.05 -0.01 -0.02 0.00 0.00 0.00 0.00 61.98 62.00 1xry s VAL 79 Cb -0.13 -0.63 -0.02 0.00 0.00 0.00 0.00 36.38 35.61 1xry s VAL 79 CO 0.02 0.27 -0.10 -0.32 0.00 0.00 0.00 175.10 174.98 1xry s MET 80 N 1.66 3.45 0.15 2.72 1.75 0.15 -0.87 119.30 128.31 1xry s MET 80 Ca 0.01 -0.64 0.11 0.00 -1.25 0.00 0.00 55.69 53.92 1xry s MET 80 Cb -0.13 -2.76 -0.04 0.00 2.84 0.00 0.00 34.83 34.74 1xry s MET 80 CO -0.04 0.16 -0.24 0.95 -0.65 0.00 0.00 175.02 175.19 1xry s THR 81 N 0.53 2.39 -0.14 10.11 -4.23 -0.65 -0.06 115.64 123.59 1xry s THR 81 Ca -0.07 -1.81 -0.02 0.00 -1.18 0.00 0.00 61.69 58.61 1xry s THR 81 Cb -0.15 -2.10 0.05 0.00 1.34 0.00 0.00 72.50 71.64 1xry s THR 81 CO 0.03 0.02 0.03 -0.63 -0.54 0.00 0.00 174.62 173.53 1xry s ILE 82 N -1.28 0.42 0.21 2.99 1.01 -0.28 -1.66 121.20 122.60 1xry s ILE 82 Ca 0.17 -0.25 -0.30 0.00 0.00 0.00 0.00 60.65 60.26 1xry s ILE 82 Cb -0.09 -0.80 -0.09 0.00 0.01 0.00 0.00 42.46 41.49 1xry s ILE 82 CO 0.08 -0.02 1.31 -0.89 0.00 0.00 0.00 174.94 175.42 1xry s THR 83 N 1.93 3.18 0.49 2.92 2.01 -1.08 -0.84 115.64 124.24 1xry s THR 83 Ca 0.02 0.98 -0.20 0.00 0.31 0.00 0.00 61.69 62.79 1xry s THR 83 Cb -0.15 -3.63 -0.08 0.00 0.01 0.00 0.00 72.50 68.65 1xry s THR 83 CO -0.07 0.15 1.06 -0.83 -0.69 0.00 0.00 174.62 174.24 1xry s GLY 84 N 0.29 2.55 0.22 4.40 0.00 -1.24 -4.79 107.32 108.74 1xry s GLY 84 Ca 0.56 0.66 0.19 0.00 0.00 0.00 0.00 44.72 46.13 1xry s GLY 84 CO 0.39 0.99 1.18 1.48 0.00 0.00 0.00 173.10 177.14 1xry h SER 85 N 1.55 0.00 0.00 1.64 4.64 -0.97 -3.35 113.55 117.06 1xry h SER 85 Ca -0.50 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.71 1xry h SER 85 Cb 1.23 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.30 1xry h SER 85 CO 0.59 0.30 -1.42 1.21 -0.87 0.00 0.00 176.83 176.63 1xry n GLU 86 N -2.95 0.18 -3.40 4.77 2.13 -0.72 -4.89 120.64 115.76 1xry n GLU 86 Ca -0.02 0.05 -0.26 0.00 0.66 0.00 0.00 57.16 57.59 1xry n GLU 86 Cb 0.68 -1.04 -0.09 0.00 0.27 0.00 0.00 31.44 31.26 1xry n GLU 86 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1xry n ALA 87 N -2.90 3.07 0.29 4.31 0.00 0.14 -4.94 120.51 120.48 1xry n ALA 87 Ca -0.14 -3.82 0.10 0.00 0.00 0.00 0.00 53.44 49.59 1xry n ALA 87 Cb 0.63 -0.85 0.46 0.00 0.00 0.00 0.00 19.45 19.69 1xry n ALA 87 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1xry n PRO 88 N 1.71 0.14 0.00 0.00 -0.04 -1.26 -2.04 135.00 133.51 1xry n PRO 88 Ca 0.25 0.49 0.13 0.00 -0.04 0.00 0.00 63.50 64.33 1xry n PRO 88 Cb 0.46 -1.83 0.45 0.00 -0.04 0.00 0.00 33.50 32.54 1xry n PRO 88 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1xry n ASP 89 N -2.11 0.26 -4.58 3.54 5.75 -1.26 -4.52 116.55 113.64 1xry n ASP 89 Ca 0.01 0.08 -0.35 0.00 -0.01 0.00 0.00 54.79 54.51 1xry n ASP 89 Cb 0.14 -0.13 -0.11 0.00 -1.03 0.00 0.00 41.12 39.99 1xry n ASP 89 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1xry s GLU 90 N -2.96 3.89 -0.06 0.11 2.02 -0.87 -3.71 118.70 117.12 1xry s GLU 90 Ca 0.14 -0.37 0.02 0.00 0.02 0.00 0.00 54.97 54.77 1xry s GLU 90 Cb 0.18 -3.31 -0.03 0.00 0.10 0.00 0.00 34.13 31.08 1xry s GLU 90 CO 0.60 0.09 -0.09 -1.58 0.02 0.00 0.00 175.26 174.30 1xry s TRP 91 N 0.88 2.87 -0.13 1.61 0.52 0.58 -1.29 118.94 123.98 1xry s TRP 91 Ca 0.04 -0.04 0.00 0.00 0.02 0.00 0.00 56.10 56.12 1xry s TRP 91 Cb -0.14 -1.69 -0.01 0.00 -1.15 0.00 0.00 33.47 30.48 1xry s TRP 91 CO 0.03 0.28 -0.14 0.42 0.02 0.00 0.00 176.95 177.56 1xry s ILE 92 N -0.76 2.98 -0.02 2.03 -1.09 -0.24 0.10 121.20 124.21 1xry s ILE 92 Ca 0.12 -0.69 0.06 0.00 -2.23 0.00 0.00 60.65 57.92 1xry s ILE 92 Cb -0.11 -2.25 -0.02 0.00 -1.58 0.00 0.00 42.46 38.50 1xry s ILE 92 CO 0.01 0.53 -0.21 -0.69 -1.23 0.00 0.00 174.94 173.35 1xry s VAL 93 N 0.37 2.52 -0.07 2.92 1.01 0.25 -0.51 120.40 126.90 1xry s VAL 93 Ca -0.11 -1.01 -0.04 0.00 0.00 0.00 0.00 61.98 60.82 1xry s VAL 93 Cb -0.16 -1.95 0.03 0.00 0.00 0.00 0.00 36.38 34.30 1xry s VAL 93 CO 0.06 0.53 0.16 -0.51 0.00 0.00 0.00 175.10 175.33 1xry s ILE 94 N -0.72 -0.03 0.15 2.22 2.07 -0.67 -0.57 121.20 123.65 1xry s ILE 94 Ca 0.11 0.13 -0.12 0.00 -1.41 0.00 0.00 60.65 59.36 1xry s ILE 94 Cb -0.10 -0.25 0.04 0.00 0.13 0.00 0.00 42.46 42.28 1xry s ILE 94 CO 0.01 0.05 0.58 0.61 -1.91 0.00 0.00 174.94 174.27 1xry n GLY 95 N 3.87 1.04 3.83 1.50 0.00 -0.51 -0.93 105.19 114.00 1xry n GLY 95 Ca -0.22 -1.09 -0.08 0.00 0.00 0.00 0.00 46.02 44.63 1xry n GLY 95 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xry s GLY 96 N -2.63 0.12 -0.05 -0.02 0.00 -0.71 -0.05 107.32 103.97 1xry s GLY 96 Ca 0.12 -0.51 -0.03 0.00 0.00 0.00 0.00 44.72 44.31 1xry s GLY 96 CO 0.05 -0.20 0.11 -2.38 0.00 0.00 0.00 173.10 170.67 1xry s HIS 97 N -3.30 3.40 -0.97 1.90 -3.43 -1.26 -0.92 115.29 110.72 1xry s HIS 97 Ca 0.13 0.32 0.23 0.00 -0.80 0.00 0.00 55.06 54.94 1xry s HIS 97 Cb -0.05 -1.82 0.11 0.00 -1.43 0.00 0.00 32.58 29.39 1xry s HIS 97 CO 0.09 0.61 1.13 1.47 -2.00 0.00 0.00 174.74 176.04 1xry n LEU 98 N 1.48 0.75 -4.90 5.38 -0.00 -0.15 -4.44 117.00 115.12 1xry n LEU 98 Ca -0.15 -0.25 -0.28 0.00 -0.00 0.00 0.00 56.01 55.33 1xry n LEU 98 Cb 0.53 -0.12 0.03 0.00 -0.00 0.00 0.00 43.42 43.87 1xry n LEU 98 CO 0.36 0.18 0.62 1.51 -0.00 0.00 0.00 177.39 180.06 1xry s ASP 99 N -3.06 5.67 0.12 1.45 3.84 -1.26 -4.85 116.67 118.58 1xry s ASP 99 Ca 0.09 0.94 0.00 0.00 -0.00 0.00 0.00 52.55 53.59 1xry s ASP 99 Cb 0.17 -1.91 -0.04 0.00 -1.38 0.00 0.00 42.92 39.76 1xry s ASP 99 CO 0.79 -1.09 0.01 -0.94 -0.00 0.00 0.00 175.17 173.94 1xry s SER 100 N -4.29 0.73 0.17 2.11 1.04 -1.03 -4.15 113.70 108.29 1xry s SER 100 Ca 0.55 -1.13 -0.19 0.00 0.48 0.00 0.00 55.95 55.65 1xry s SER 100 Cb -0.11 0.20 0.04 0.00 0.10 0.00 0.00 66.02 66.25 1xry s SER 100 CO 0.48 -0.62 0.53 0.28 0.98 0.00 0.00 173.24 174.89 1xry s THR 101 N -3.85 0.03 0.00 2.02 -1.32 -1.26 -3.41 115.64 107.84 1xry s THR 101 Ca 0.19 -0.49 0.00 0.00 -1.21 0.00 0.00 61.69 60.19 1xry s THR 101 Cb 0.07 -1.32 0.00 0.00 -1.51 0.00 0.00 72.50 69.74 1xry s THR 101 CO -0.01 -0.12 0.55 2.30 -2.21 0.00 0.00 174.62 175.14 1xry n ILE 102 N -0.33 0.29 -0.05 5.08 -5.35 -1.26 -3.99 119.36 113.74 1xry n ILE 102 Ca -0.13 -0.36 0.00 0.00 -0.27 0.00 0.00 62.75 61.98 1xry n ILE 102 Cb 0.63 1.04 0.00 0.00 -1.74 0.00 0.00 39.64 39.58 1xry n ILE 102 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1xry n GLY 103 N -0.14 0.51 0.13 3.28 0.00 -1.26 -4.78 105.19 102.92 1xry n GLY 103 Ca 0.00 -1.86 0.12 0.00 0.00 0.00 0.00 46.02 44.28 1xry n GLY 103 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xry n SER 104 N 3.00 0.69 -0.62 1.61 3.41 -1.26 -2.29 113.62 118.15 1xry n SER 104 Ca 0.00 0.67 0.11 0.00 -0.26 0.00 0.00 58.87 59.39 1xry n SER 104 Cb 0.00 -0.81 0.37 0.00 -0.26 0.00 0.00 64.21 63.51 1xry n SER 104 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xry n HIS 105 N -2.25 0.21 -1.67 7.33 -0.00 -1.26 -4.94 115.22 112.63 1xry n HIS 105 Ca 0.02 -0.10 -0.45 0.00 -0.00 0.00 0.00 57.72 57.18 1xry n HIS 105 Cb 0.24 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 30.19 1xry n HIS 105 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.34 178.75 1xry n THR 106 N 0.47 0.28 -4.09 0.61 -1.04 -0.97 -4.97 114.28 104.57 1xry n THR 106 Ca 0.17 -0.07 -0.06 0.00 -2.04 0.00 0.00 64.05 62.05 1xry n THR 106 Cb 0.37 -1.53 -0.02 0.00 -1.82 0.00 0.00 70.33 67.33 1xry n THR 106 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 1xry n ASN 107 N 3.04 -0.05 -0.34 8.00 0.23 -1.26 -5.00 115.26 119.88 1xry n ASN 107 Ca 0.15 -1.62 0.17 0.00 -0.53 0.00 0.00 54.58 52.75 1xry n ASN 107 Cb 0.30 0.45 0.40 0.00 -2.08 0.00 0.00 39.78 38.85 1xry n ASN 107 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1xry h GLU 108 N 0.00 0.57 -0.01 -3.83 4.39 -1.93 -1.84 114.58 111.92 1xry h GLU 108 Ca -0.07 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.60 1xry h GLU 108 Cb 0.34 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 1xry h GLU 108 CO 0.10 0.38 -0.43 1.04 -1.16 0.00 0.00 179.01 178.93 1xry n GLN 109 N -4.76 1.03 -1.76 2.33 6.02 -1.26 -4.89 117.38 114.08 1xry n GLN 109 Ca 0.25 -0.79 -0.41 0.00 -0.01 0.00 0.00 57.00 56.04 1xry n GLN 109 Cb 0.72 -1.48 -0.00 0.00 1.02 0.00 0.00 30.24 30.49 1xry n GLN 109 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1xry n SER 110 N -0.30 3.67 -4.42 1.08 7.64 -0.70 -4.96 113.62 115.63 1xry n SER 110 Ca 0.10 1.22 -0.44 0.00 1.01 0.00 0.00 58.87 60.76 1xry n SER 110 Cb 0.42 -1.60 -0.08 0.00 -1.01 0.00 0.00 64.21 61.94 1xry n SER 110 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1xry s VAL 111 N -1.06 5.21 -0.48 0.44 1.01 -1.26 -4.03 120.40 120.24 1xry s VAL 111 Ca 0.54 -0.84 0.04 0.00 0.00 0.00 0.00 61.98 61.72 1xry s VAL 111 Cb -0.49 -4.06 0.17 0.00 0.00 0.00 0.00 36.38 32.00 1xry s VAL 111 CO 0.63 -0.49 0.37 0.00 0.00 0.00 0.00 175.10 175.61 1xry s ALA 112 N 1.75 1.94 0.53 5.51 0.00 0.63 -4.15 121.76 127.98 1xry s ALA 112 Ca 0.06 -2.76 0.23 0.00 0.00 0.00 0.00 51.96 49.49 1xry s ALA 112 Cb -0.22 -1.72 1.39 0.00 0.00 0.00 0.00 23.12 22.57 1xry s ALA 112 CO 0.09 -2.00 2.04 -1.00 0.00 0.00 0.00 175.76 174.88 1xry h PRO 113 N 5.61 0.00 -7.06 0.00 0.13 -1.78 -3.38 132.00 125.53 1xry h PRO 113 Ca 0.24 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.76 1xry h PRO 113 Cb 0.88 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 31.74 1xry h PRO 113 CO 0.45 0.00 -0.93 0.41 -0.23 0.00 0.00 178.00 177.70 1xry n GLY 114 N -1.59 -0.26 0.14 1.56 0.00 -1.13 -4.16 105.19 99.74 1xry n GLY 114 Ca 0.06 0.13 -0.10 0.00 0.00 0.00 0.00 46.02 46.11 1xry n GLY 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xry h ALA 115 N 0.84 0.36 0.10 4.61 0.00 -1.28 -1.35 119.26 122.54 1xry h ALA 115 Ca -0.63 -0.08 -0.30 0.00 0.00 0.00 0.00 54.91 53.90 1xry h ALA 115 Cb 1.39 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1xry h ALA 115 CO 0.78 -0.09 -1.61 0.22 0.00 0.00 0.00 179.25 178.55 1xry h ASP 116 N 0.34 0.33 -3.67 0.00 3.58 -1.84 -0.40 116.42 114.76 1xry h ASP 116 Ca 0.10 -0.83 -0.71 0.00 0.42 0.00 0.00 57.03 56.01 1xry h ASP 116 Cb 0.08 -0.11 -0.33 0.00 1.72 0.00 0.00 39.33 40.69 1xry h ASP 116 CO -0.01 1.69 -0.41 -0.62 -2.88 0.00 0.00 179.24 177.00 1xry s ASP 117 N -7.02 5.44 -0.25 2.28 2.15 -1.23 -3.66 116.67 114.38 1xry s ASP 117 Ca -0.22 -2.31 0.16 0.00 0.43 0.00 0.00 52.55 50.60 1xry s ASP 117 Cb 0.05 -1.90 0.48 0.00 -0.30 0.00 0.00 42.92 41.25 1xry s ASP 117 CO 0.74 -0.52 1.16 -0.67 -0.17 0.00 0.00 175.17 175.70 1xry n ASP 118 N 4.27 2.93 -0.05 -0.34 4.64 -1.12 -4.44 116.55 122.43 1xry n ASP 118 Ca 0.01 -2.88 0.03 0.00 -1.38 0.00 0.00 54.79 50.56 1xry n ASP 118 Cb 0.40 -0.41 0.36 0.00 -1.04 0.00 0.00 41.12 40.44 1xry n ASP 118 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1xry h ALA 119 N 2.18 1.60 -0.71 -1.67 0.00 -1.18 -2.26 119.26 117.22 1xry h ALA 119 Ca 0.08 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1xry h ALA 119 Cb 1.41 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 1xry h ALA 119 CO 0.40 0.35 0.46 0.66 0.00 0.00 0.00 179.25 181.12 1xry h SER 120 N 0.66 0.77 -0.48 0.00 4.64 -1.14 0.38 113.55 118.37 1xry h SER 120 Ca 0.17 -0.01 -0.09 0.00 -0.47 0.00 0.00 61.79 61.40 1xry h SER 120 Cb -0.02 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 61.88 1xry h SER 120 CO -0.03 0.54 -0.04 1.23 -0.87 0.00 0.00 176.83 177.65 1xry h GLY 121 N 0.91 0.96 1.15 -0.77 0.00 -1.63 -1.58 103.07 102.10 1xry h GLY 121 Ca 0.27 -0.74 -0.05 0.00 0.00 0.00 0.00 47.33 46.81 1xry h GLY 121 CO -0.09 0.68 0.24 -2.22 0.00 0.00 0.00 176.54 175.15 1xry h ILE 122 N 0.74 1.25 -0.41 2.60 1.08 -1.03 -1.55 117.51 120.20 1xry h ILE 122 Ca 0.13 -0.84 -0.09 0.00 -0.39 0.00 0.00 64.86 63.67 1xry h ILE 122 Cb 0.57 0.45 -0.02 0.00 -3.07 0.00 0.00 36.82 34.76 1xry h ILE 122 CO 0.03 0.33 -0.12 0.00 -0.69 0.00 0.00 178.15 177.71 1xry h ALA 123 N 1.22 1.03 -0.31 1.87 0.00 -0.76 -0.02 119.26 122.30 1xry h ALA 123 Ca 0.23 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1xry h ALA 123 Cb 0.26 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1xry h ALA 123 CO -0.01 0.59 0.05 0.00 0.00 0.00 0.00 179.25 179.87 1xry h ALA 124 N 1.21 0.41 -0.62 0.00 0.00 -0.84 -0.80 119.26 118.61 1xry h ALA 124 Ca 0.11 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 1xry h ALA 124 Cb 0.58 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1xry h ALA 124 CO 0.04 0.11 0.17 0.28 0.00 0.00 0.00 179.25 179.85 1xry h VAL 125 N 0.34 1.25 -0.90 0.00 2.07 -1.06 -2.13 116.25 115.82 1xry h VAL 125 Ca 0.09 -0.89 -0.02 0.00 0.82 0.00 0.00 66.70 66.71 1xry h VAL 125 Cb 0.35 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 30.73 1xry h VAL 125 CO 0.01 0.34 0.49 0.74 0.02 0.00 0.00 177.57 179.17 1xry h THR 126 N 0.90 1.26 -0.04 2.57 2.02 -0.84 -1.73 112.91 117.05 1xry h THR 126 Ca 0.20 -0.64 -0.12 0.00 0.77 0.00 0.00 66.41 66.61 1xry h THR 126 Cb 0.33 0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.77 1xry h THR 126 CO -0.00 0.29 -0.55 -0.08 0.37 0.00 0.00 175.52 175.55 1xry h GLU 127 N 1.26 0.12 -0.32 6.66 4.57 -0.89 -1.17 114.58 124.80 1xry h GLU 127 Ca 0.32 -0.07 -0.03 0.00 -1.18 0.00 0.00 59.36 58.40 1xry h GLU 127 Cb 0.02 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.61 1xry h GLU 127 CO -0.05 0.63 0.10 0.28 -1.18 0.00 0.00 179.01 178.79 1xry h VAL 128 N 0.09 1.21 -0.48 0.32 2.07 -0.96 -1.53 116.25 116.96 1xry h VAL 128 Ca -0.00 -0.67 -0.00 0.00 0.82 0.00 0.00 66.70 66.84 1xry h VAL 128 Cb 0.99 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.78 1xry h VAL 128 CO 0.08 0.23 0.29 0.40 0.02 0.00 0.00 177.57 178.58 1xry h ILE 129 N 0.37 1.15 -0.07 4.57 2.04 -1.07 -1.55 117.51 122.94 1xry h ILE 129 Ca 0.10 -0.34 0.02 0.00 1.00 0.00 0.00 64.86 65.64 1xry h ILE 129 Cb 0.25 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 1xry h ILE 129 CO -0.00 0.15 -0.04 -0.09 0.00 0.00 0.00 178.15 178.17 1xry h ARG 130 N 0.64 -0.03 -0.52 2.37 2.43 -0.97 0.12 114.38 118.42 1xry h ARG 130 Ca 0.17 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.36 1xry h ARG 130 Cb -0.00 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.52 1xry h ARG 130 CO -0.03 -0.02 0.33 0.28 -1.51 0.00 0.00 179.97 179.02 1xry h VAL 131 N -0.03 1.10 -0.31 0.20 2.07 -1.14 0.19 116.25 118.33 1xry h VAL 131 Ca 0.04 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 1xry h VAL 131 Cb 0.09 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 1xry h VAL 131 CO -0.09 0.12 0.10 -0.07 0.02 0.00 0.00 177.57 177.65 1xry h LEU 132 N 0.67 0.45 -0.75 2.57 3.38 -1.02 -2.41 115.31 118.20 1xry h LEU 132 Ca 0.20 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 1xry h LEU 132 Cb -0.04 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1xry h LEU 132 CO -0.06 0.53 0.05 0.77 0.09 0.00 0.00 178.44 179.81 1xry h SER 133 N 0.34 0.96 -0.55 -0.43 4.64 -0.51 -0.85 113.55 117.15 1xry h SER 133 Ca 0.10 -0.24 0.05 0.00 -0.47 0.00 0.00 61.79 61.23 1xry h SER 133 Cb 0.24 -0.26 -0.03 0.00 -0.31 0.00 0.00 62.40 62.05 1xry h SER 133 CO -0.00 0.99 0.36 -0.08 -0.87 0.00 0.00 176.83 177.23 1xry h GLU 134 N 0.93 0.55 -0.58 4.77 4.57 -0.47 -1.63 114.58 122.72 1xry h GLU 134 Ca 0.18 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.32 1xry h GLU 134 Cb 0.47 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.94 1xry h GLU 134 CO 0.02 0.37 0.00 0.09 -1.18 0.00 0.00 179.01 178.31 1xry n ASN 135 N -4.47 4.65 -3.98 1.04 3.02 -0.92 -4.97 115.26 109.63 1xry n ASN 135 Ca 0.07 -2.52 -0.30 0.00 -0.03 0.00 0.00 54.58 51.80 1xry n ASN 135 Cb 0.19 -0.56 -0.02 0.00 -0.61 0.00 0.00 39.78 38.78 1xry n ASN 135 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1xry n ASN 136 N 0.86 -1.51 -4.74 6.41 3.02 -0.61 -4.85 115.26 113.84 1xry n ASN 136 Ca 0.25 -1.09 -0.42 0.00 -0.03 0.00 0.00 54.58 53.29 1xry n ASN 136 Cb 0.89 -2.71 -0.02 0.00 -0.61 0.00 0.00 39.78 37.32 1xry n ASN 136 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1xry s PHE 137 N -3.89 2.91 -0.46 3.10 5.99 -0.40 -4.98 117.98 120.26 1xry s PHE 137 Ca 0.15 0.79 0.03 0.00 0.00 0.00 0.00 56.93 57.90 1xry s PHE 137 Cb -0.07 -3.97 0.13 0.00 0.00 0.00 0.00 43.02 39.12 1xry s PHE 137 CO 0.91 -3.33 0.23 -1.14 -0.00 0.00 0.00 175.22 171.89 1xry s GLN 138 N 0.02 1.49 0.51 10.12 2.00 -1.26 -4.83 119.66 127.70 1xry s GLN 138 Ca 0.64 -2.16 -0.21 0.00 -2.00 0.00 0.00 55.36 51.63 1xry s GLN 138 Cb -0.45 -2.66 -0.07 0.00 0.80 0.00 0.00 33.01 30.63 1xry s GLN 138 CO 0.42 -1.13 1.15 -1.25 -0.50 0.00 0.00 175.29 173.97 1xry s PRO 139 N 0.22 3.53 0.13 1.67 0.04 -1.26 -4.88 135.00 134.45 1xry s PRO 139 Ca 0.17 1.69 0.06 0.00 0.04 0.00 0.00 61.00 62.96 1xry s PRO 139 Cb -0.25 -2.18 -0.18 0.00 0.04 0.00 0.00 34.50 31.93 1xry s PRO 139 CO -0.01 -0.72 1.29 0.87 0.04 0.00 0.00 177.00 178.48 1xry h LYS 140 N 1.58 0.02 -6.20 4.56 1.57 -1.48 -1.04 116.57 115.58 1xry h LYS 140 Ca -0.50 -0.04 -0.47 0.00 -1.87 0.00 0.00 60.65 57.78 1xry h LYS 140 Cb 1.26 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.56 1xry h LYS 140 CO 0.58 0.99 -0.44 1.03 -0.57 0.00 0.00 179.45 181.04 1xry s ARG 141 N -2.77 3.32 0.24 3.15 0.52 -0.49 0.26 118.95 123.18 1xry s ARG 141 Ca 0.00 -0.83 -0.26 0.00 -0.52 0.00 0.00 55.73 54.12 1xry s ARG 141 Cb 0.10 -2.82 -0.09 0.00 0.52 0.00 0.00 34.95 32.66 1xry s ARG 141 CO 0.82 0.40 0.87 -1.12 0.02 0.00 0.00 175.30 176.29 1xry s SER 142 N -3.97 7.43 -0.02 0.23 0.01 -0.41 -3.66 113.70 113.31 1xry s SER 142 Ca 0.35 1.77 0.07 0.00 1.31 0.00 0.00 55.95 59.45 1xry s SER 142 Cb -0.09 -2.55 -0.02 0.00 0.21 0.00 0.00 66.02 63.58 1xry s SER 142 CO 0.28 0.10 -0.25 -0.63 0.41 0.00 0.00 173.24 173.16 1xry s ILE 143 N -1.32 1.96 -0.14 1.44 1.01 -0.02 -1.08 121.20 123.05 1xry s ILE 143 Ca 0.42 -1.06 0.01 0.00 0.00 0.00 0.00 60.65 60.03 1xry s ILE 143 Cb -0.22 -1.63 0.02 0.00 0.01 0.00 0.00 42.46 40.63 1xry s ILE 143 CO 0.27 0.55 -0.17 0.00 0.00 0.00 0.00 174.94 175.59 1xry s ALA 144 N -0.53 1.98 -0.22 9.38 0.00 0.33 -1.12 121.76 131.58 1xry s ALA 144 Ca 0.08 -0.95 -0.07 0.00 0.00 0.00 0.00 51.96 51.01 1xry s ALA 144 Cb -0.10 -1.00 -0.04 0.00 0.00 0.00 0.00 23.12 21.98 1xry s ALA 144 CO -0.00 -0.21 0.07 -0.06 0.00 0.00 0.00 175.76 175.56 1xry s PHE 145 N 1.16 3.15 0.01 0.00 0.40 0.92 -1.66 117.98 121.96 1xry s PHE 145 Ca -0.01 -0.17 0.06 0.00 -0.60 0.00 0.00 56.93 56.21 1xry s PHE 145 Cb -0.14 -2.17 -0.02 0.00 0.51 0.00 0.00 43.02 41.20 1xry s PHE 145 CO -0.07 -0.12 -0.17 -1.64 0.70 0.00 0.00 175.22 173.92 1xry s MET 146 N 1.05 1.31 -0.32 0.44 -1.94 -0.11 -0.68 119.30 119.07 1xry s MET 146 Ca 0.04 -0.72 0.03 0.00 -1.71 0.00 0.00 55.69 53.33 1xry s MET 146 Cb -0.14 -1.32 0.09 0.00 2.01 0.00 0.00 34.83 35.48 1xry s MET 146 CO 0.03 0.35 0.04 0.00 -0.01 0.00 0.00 175.02 175.43 1xry s ALA 147 N -0.57 2.54 0.18 3.03 0.00 0.22 -1.75 121.76 125.41 1xry s ALA 147 Ca 0.06 -2.21 -0.30 0.00 0.00 0.00 0.00 51.96 49.51 1xry s ALA 147 Cb -0.07 -1.83 -0.08 0.00 0.00 0.00 0.00 23.12 21.14 1xry s ALA 147 CO 0.00 -1.60 1.05 0.71 0.00 0.00 0.00 175.76 175.92 1xry s TYR 148 N 1.09 3.69 0.51 0.00 1.51 -0.09 -0.34 117.35 123.72 1xry s TYR 148 Ca 0.08 1.69 -0.05 0.00 -1.01 0.00 0.00 57.07 57.77 1xry s TYR 148 Cb -0.19 -3.19 -0.02 0.00 -0.11 0.00 0.00 41.96 38.45 1xry s TYR 148 CO -0.11 -0.29 0.82 0.00 -1.11 0.00 0.00 175.55 174.86 1xry s ALA 149 N -0.40 3.37 -1.64 3.71 0.00 -1.26 -0.97 121.76 124.57 1xry s ALA 149 Ca 0.47 -0.55 -0.16 0.00 0.00 0.00 0.00 51.96 51.73 1xry s ALA 149 Cb -0.28 -2.60 0.13 0.00 0.00 0.00 0.00 23.12 20.37 1xry s ALA 149 CO 0.34 -0.48 0.80 0.00 0.00 0.00 0.00 175.76 176.42 1xry n ALA 150 N -2.36 -1.33 -0.03 0.00 0.00 -1.26 -1.81 120.51 113.72 1xry n ALA 150 Ca 0.02 0.02 -0.16 0.00 0.00 0.00 0.00 53.44 53.31 1xry n ALA 150 Cb 0.56 -3.55 -0.07 0.00 0.00 0.00 0.00 19.45 16.38 1xry n ALA 150 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1xry h GLU 151 N -1.66 0.67 0.00 0.00 4.22 -1.92 -2.41 114.58 113.48 1xry h GLU 151 Ca -0.59 -0.52 0.00 0.00 0.08 0.00 0.00 59.36 58.33 1xry h GLU 151 Cb 1.38 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.73 1xry h GLU 151 CO 0.74 1.14 0.00 0.39 -2.18 0.00 0.00 179.01 179.10 1xry n GLU 152 N -4.11 0.05 -0.66 1.92 -0.58 -1.26 -1.21 120.64 114.79 1xry n GLU 152 Ca -0.07 0.48 0.01 0.00 -0.42 0.00 0.00 57.16 57.15 1xry n GLU 152 Cb 0.65 -1.64 0.20 0.00 -0.57 0.00 0.00 31.44 30.08 1xry n GLU 152 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 1xry n VAL 153 N -1.74 2.40 0.00 2.62 0.24 -1.22 -4.91 118.33 115.71 1xry n VAL 153 Ca 0.01 -2.68 0.00 0.00 -2.04 0.00 0.00 64.34 59.62 1xry n VAL 153 Cb 0.06 -0.29 0.00 0.00 -1.47 0.00 0.00 33.84 32.14 1xry n VAL 153 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xry n GLY 154 N -1.07 1.86 3.39 7.63 0.00 -0.77 -4.70 105.19 111.53 1xry n GLY 154 Ca 0.27 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.05 1xry n GLY 154 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xry n LEU 155 N 0.00 -1.71 -0.14 0.99 4.77 -0.35 -4.86 117.00 115.70 1xry n LEU 155 Ca 0.00 -0.42 -0.08 0.00 -0.03 0.00 0.00 56.01 55.47 1xry n LEU 155 Cb 0.00 -2.22 0.00 0.00 -2.33 0.00 0.00 43.42 38.87 1xry n LEU 155 CO 0.00 0.18 1.00 0.03 -1.33 0.00 0.00 177.39 177.27 1xry h ARG 156 N -1.08 0.58 -0.01 3.23 3.08 -1.66 -1.93 114.38 116.59 1xry h ARG 156 Ca -0.45 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 59.53 1xry h ARG 156 Cb 1.30 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 31.24 1xry h ARG 156 CO 0.55 0.46 0.00 0.78 -1.07 0.00 0.00 179.97 180.69 1xry h GLY 157 N 0.55 0.01 1.65 0.04 0.00 -1.51 -2.48 103.07 101.33 1xry h GLY 157 Ca 0.15 -0.01 -0.07 0.00 0.00 0.00 0.00 47.33 47.40 1xry h GLY 157 CO -0.02 0.01 -0.16 1.48 0.00 0.00 0.00 176.54 177.84 1xry h SER 158 N -0.20 0.41 -0.55 0.19 4.64 -1.76 -1.46 113.55 114.82 1xry h SER 158 Ca 0.00 -0.11 -0.03 0.00 -0.47 0.00 0.00 61.79 61.19 1xry h SER 158 Cb 0.22 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.17 1xry h SER 158 CO -0.00 0.60 0.25 -0.61 -0.87 0.00 0.00 176.83 176.20 1xry h GLN 159 N 0.39 0.81 -0.14 4.77 4.15 -1.29 0.31 115.11 124.11 1xry h GLN 159 Ca 0.07 -0.13 -0.02 0.00 0.77 0.00 0.00 58.65 59.34 1xry h GLN 159 Cb 0.52 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 28.06 1xry h GLN 159 CO 0.03 0.68 0.02 -0.44 -1.93 0.00 0.00 178.83 177.20 1xry h ASP 160 N 0.75 0.22 -0.61 -0.69 3.45 -1.11 -1.14 116.42 117.29 1xry h ASP 160 Ca 0.19 -0.26 -0.05 0.00 0.43 0.00 0.00 57.03 57.33 1xry h ASP 160 Cb 0.16 -0.06 -0.03 0.00 -0.56 0.00 0.00 39.33 38.84 1xry h ASP 160 CO -0.02 0.43 0.17 -0.07 -1.57 0.00 0.00 179.24 178.18 1xry h LEU 161 N 0.01 0.91 -0.27 1.55 3.38 -1.10 0.15 115.31 119.94 1xry h LEU 161 Ca 0.04 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 1xry h LEU 161 Cb 0.30 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1xry h LEU 161 CO 0.00 0.89 0.09 0.00 0.09 0.00 0.00 178.44 179.52 1xry h ALA 162 N 1.05 0.35 -0.26 1.53 0.00 -0.35 -0.44 119.26 121.15 1xry h ALA 162 Ca 0.19 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 1xry h ALA 162 Cb 0.33 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1xry h ALA 162 CO -0.00 -0.03 -0.25 -0.91 0.00 0.00 0.00 179.25 178.06 1xry h ASN 163 N 0.28 0.50 -0.06 0.00 2.35 -1.08 -1.47 115.58 116.09 1xry h ASN 163 Ca 0.09 -0.17 -0.00 0.00 -0.55 0.00 0.00 56.30 55.67 1xry h ASN 163 Cb 0.22 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.45 1xry h ASN 163 CO -0.00 0.74 0.02 -0.61 -1.65 0.00 0.00 177.43 175.94 1xry h GLN 164 N 0.44 0.09 -0.98 0.81 4.15 -0.40 0.67 115.11 119.89 1xry h GLN 164 Ca 0.06 -0.02 0.01 0.00 0.77 0.00 0.00 58.65 59.48 1xry h GLN 164 Cb 0.67 -0.01 -0.05 0.00 0.21 0.00 0.00 27.48 28.30 1xry h GLN 164 CO 0.05 0.22 0.65 1.88 -1.93 0.00 0.00 178.83 179.70 1xry h TYR 165 N -0.06 1.23 -0.43 3.99 0.99 -0.92 0.31 116.97 122.08 1xry h TYR 165 Ca 0.02 0.03 -0.09 0.00 2.00 0.00 0.00 58.73 60.69 1xry h TYR 165 Cb 0.16 -0.42 -0.02 0.00 1.00 0.00 0.00 36.73 37.46 1xry h TYR 165 CO -0.02 0.77 -0.11 -0.22 -0.00 0.00 0.00 178.16 178.58 1xry h LYS 166 N 1.32 0.77 -0.21 4.88 3.64 -0.99 -0.57 116.57 125.40 1xry h LYS 166 Ca 0.36 -0.25 -0.14 0.00 -1.27 0.00 0.00 60.65 59.35 1xry h LYS 166 Cb -0.14 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.61 1xry h LYS 166 CO -0.08 0.84 -0.45 0.77 -2.27 0.00 0.00 179.45 178.26 1xry h SER 167 N 0.70 0.58 -0.01 4.20 0.02 -0.15 -2.38 113.55 116.50 1xry h SER 167 Ca 0.12 -0.27 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 1xry h SER 167 Cb 0.58 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.96 1xry h SER 167 CO 0.04 0.95 0.00 -0.62 -1.14 0.00 0.00 176.83 176.05 1xry n GLU 168 N -4.00 1.03 -1.88 3.45 1.02 0.03 -4.85 120.64 115.43 1xry n GLU 168 Ca -0.02 -0.03 -0.18 0.00 -0.02 0.00 0.00 57.16 56.91 1xry n GLU 168 Cb 0.54 -1.15 -0.05 0.00 -0.02 0.00 0.00 31.44 30.76 1xry n GLU 168 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xry n GLY 169 N 0.37 0.81 3.76 0.62 0.00 -0.90 -4.94 105.19 104.92 1xry n GLY 169 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1xry n GLY 169 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xry s LYS 170 N -4.13 4.50 -0.71 1.61 1.02 -0.25 -4.98 119.74 116.80 1xry s LYS 170 Ca 0.00 2.00 -0.18 0.00 0.02 0.00 0.00 55.97 57.81 1xry s LYS 170 Cb 0.00 -3.14 0.13 0.00 -0.52 0.00 0.00 37.83 34.30 1xry s LYS 170 CO 0.00 0.01 0.82 1.21 -0.92 0.00 0.00 175.35 176.47 1xry s ASN 171 N -0.62 6.39 -0.43 2.83 3.04 -1.24 -4.71 114.94 120.19 1xry s ASN 171 Ca 0.47 -1.78 -0.22 0.00 0.04 0.00 0.00 52.86 51.37 1xry s ASN 171 Cb -0.36 -2.31 0.02 0.00 -1.54 0.00 0.00 41.25 37.06 1xry s ASN 171 CO 0.46 -1.02 0.73 -0.69 -3.04 0.00 0.00 177.10 173.54 1xry s VAL 172 N 2.29 4.73 0.19 -5.21 1.01 -1.26 -0.31 120.40 121.85 1xry s VAL 172 Ca 0.18 0.38 -0.05 0.00 0.00 0.00 0.00 61.98 62.48 1xry s VAL 172 Cb -0.17 -4.25 -0.02 0.00 0.00 0.00 0.00 36.38 31.94 1xry s VAL 172 CO 0.00 -0.62 1.54 0.58 0.00 0.00 0.00 175.10 176.60 1xry h VAL 173 N 5.90 1.29 -1.78 2.92 2.07 -0.71 -3.41 116.25 122.53 1xry h VAL 173 Ca -0.25 -1.58 0.01 0.00 0.82 0.00 0.00 66.70 65.70 1xry h VAL 173 Cb 1.09 1.49 -0.22 0.00 -1.52 0.00 0.00 31.29 32.13 1xry h VAL 173 CO 0.92 0.51 0.35 -0.94 0.02 0.00 0.00 177.57 178.44 1xry s SER 174 N -6.85 -0.53 -0.13 0.57 1.04 -1.25 -4.48 113.70 102.08 1xry s SER 174 Ca -0.09 0.69 -0.01 0.00 0.48 0.00 0.00 55.95 57.02 1xry s SER 174 Cb 0.12 0.58 0.03 0.00 0.10 0.00 0.00 66.02 66.86 1xry s SER 174 CO 0.85 -0.41 -0.04 0.00 0.98 0.00 0.00 173.24 174.62 1xry s ALA 175 N -0.82 1.20 -0.17 5.32 0.00 -0.05 -0.58 121.76 126.65 1xry s ALA 175 Ca -0.05 -0.55 -0.08 0.00 0.00 0.00 0.00 51.96 51.28 1xry s ALA 175 Cb -0.01 -0.97 -0.04 0.00 0.00 0.00 0.00 23.12 22.10 1xry s ALA 175 CO 0.04 -0.61 0.10 -1.17 0.00 0.00 0.00 175.76 174.12 1xry s LEU 176 N 1.76 4.09 -0.13 0.00 2.96 0.26 -1.72 118.68 125.90 1xry s LEU 176 Ca 0.03 0.23 -0.01 0.00 -0.22 0.00 0.00 54.13 54.17 1xry s LEU 176 Cb -0.14 -2.03 -0.02 0.00 0.50 0.00 0.00 46.19 44.50 1xry s LEU 176 CO -0.07 0.24 -0.09 -1.58 -1.32 0.00 0.00 176.35 173.53 1xry s GLN 177 N -0.04 3.35 -0.26 1.98 2.00 -0.42 -1.42 119.66 124.85 1xry s GLN 177 Ca 0.08 -0.61 0.03 0.00 -2.00 0.00 0.00 55.36 52.86 1xry s GLN 177 Cb -0.12 -2.71 0.06 0.00 0.80 0.00 0.00 33.01 31.04 1xry s GLN 177 CO 0.00 0.31 -0.10 -0.51 -0.50 0.00 0.00 175.29 174.49 1xry s LEU 178 N 0.13 3.47 -0.30 3.68 1.43 0.93 -4.01 118.68 124.02 1xry s LEU 178 Ca -0.04 -1.38 -0.03 0.00 -1.03 0.00 0.00 54.13 51.66 1xry s LEU 178 Cb -0.14 -1.56 0.11 0.00 0.03 0.00 0.00 46.19 44.63 1xry s LEU 178 CO 0.04 -0.19 0.19 -0.62 0.23 0.00 0.00 176.35 175.99 1xry s ASP 179 N 1.12 2.90 0.00 2.29 -1.08 -1.26 -4.24 116.67 116.40 1xry s ASP 179 Ca -0.08 -1.19 0.00 0.00 -0.52 0.00 0.00 52.55 50.75 1xry s ASP 179 Cb -0.20 -0.08 0.00 0.00 -1.46 0.00 0.00 42.92 41.18 1xry s ASP 179 CO -0.05 -0.41 0.00 0.23 0.52 0.00 0.00 175.17 175.46 1xry n MET 180 N 5.17 0.00 0.00 4.34 2.81 -1.24 -4.74 117.12 123.47 1xry n MET 180 Ca -0.03 0.45 0.00 0.00 -1.81 0.00 0.00 57.70 56.31 1xry n MET 180 Cb 0.43 -0.91 0.00 0.00 -0.71 0.00 0.00 33.22 32.03 1xry n MET 180 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1xry n THR 181 N 0.07 0.42 -1.56 2.03 -2.24 -1.26 -2.32 114.28 109.42 1xry n THR 181 Ca 0.00 -0.44 0.07 0.00 -2.27 0.00 0.00 64.05 61.41 1xry n THR 181 Cb 0.00 0.84 0.15 0.00 -2.10 0.00 0.00 70.33 69.23 1xry n THR 181 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1xry n ASN 182 N -0.21 1.72 -3.67 3.42 5.15 -1.26 -2.05 115.26 118.36 1xry n ASN 182 Ca 0.00 -3.32 -0.26 0.00 -0.60 0.00 0.00 54.58 50.40 1xry n ASN 182 Cb 0.36 -0.45 -0.17 0.00 -0.53 0.00 0.00 39.78 38.99 1xry n ASN 182 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 1xry s TYR 183 N -2.57 0.55 -0.97 1.20 5.04 -1.26 -2.17 117.35 117.17 1xry s TYR 183 Ca 0.33 -0.49 -0.19 0.00 -2.44 0.00 0.00 57.07 54.29 1xry s TYR 183 Cb 0.32 -0.82 0.13 0.00 0.35 0.00 0.00 41.96 41.93 1xry s TYR 183 CO -0.04 -0.52 1.20 0.21 -1.34 0.00 0.00 175.55 175.06 1xry s LYS 184 N 2.02 3.65 0.00 4.97 2.20 -1.26 -4.54 119.74 126.78 1xry s LYS 184 Ca 0.01 -1.78 0.26 0.00 -0.36 0.00 0.00 55.97 54.10 1xry s LYS 184 Cb -0.16 -4.99 0.64 0.00 -1.51 0.00 0.00 37.83 31.81 1xry s LYS 184 CO -0.08 -1.83 1.50 0.41 -0.36 0.00 0.00 175.35 174.99 1xry n GLY 185 N 5.50 -0.82 3.59 5.54 0.00 -1.26 -4.94 105.19 112.80 1xry n GLY 185 Ca 0.27 -0.39 -0.28 0.00 0.00 0.00 0.00 46.02 45.61 1xry n GLY 185 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xry s SER 186 N -2.67 3.22 0.17 1.61 0.01 -1.26 -4.83 113.70 109.94 1xry s SER 186 Ca 0.19 -1.65 -0.03 0.00 1.31 0.00 0.00 55.95 55.78 1xry s SER 186 Cb 0.19 0.47 0.06 0.00 0.21 0.00 0.00 66.02 66.94 1xry s SER 186 CO 0.59 -0.88 1.44 0.00 0.41 0.00 0.00 173.24 174.79 1xry h ALA 187 N 1.66 0.60 -2.38 1.44 0.00 -1.98 -3.45 119.26 115.16 1xry h ALA 187 Ca -0.38 -0.58 -0.50 0.00 0.00 0.00 0.00 54.91 53.44 1xry h ALA 187 Cb 1.28 -0.06 0.08 0.00 0.00 0.00 0.00 17.79 19.09 1xry h ALA 187 CO 0.63 0.74 0.38 -0.65 0.00 0.00 0.00 179.25 180.34 1xry s GLN 188 N -3.72 3.13 -0.04 0.00 1.11 -1.26 -4.95 119.66 113.93 1xry s GLN 188 Ca -0.06 1.24 -0.07 0.00 0.01 0.00 0.00 55.36 56.47 1xry s GLN 188 Cb 0.10 -2.00 -0.29 0.00 -1.01 0.00 0.00 33.01 29.81 1xry s GLN 188 CO 0.84 -0.96 0.68 -0.44 0.01 0.00 0.00 175.29 175.42 1xry h ASP 189 N 0.22 0.51 -3.75 5.90 3.32 -1.02 -3.47 116.42 118.13 1xry h ASP 189 Ca -0.47 -0.79 -0.40 0.00 0.02 0.00 0.00 57.03 55.40 1xry h ASP 189 Cb 1.23 -0.17 -0.31 0.00 0.22 0.00 0.00 39.33 40.30 1xry h ASP 189 CO 0.56 1.67 -0.78 -0.69 -1.72 0.00 0.00 179.24 178.29 1xry s VAL 190 N -2.59 0.63 -0.16 -1.35 1.01 -0.96 -4.76 120.40 112.22 1xry s VAL 190 Ca -0.14 -0.27 0.00 0.00 0.00 0.00 0.00 61.98 61.57 1xry s VAL 190 Cb 0.06 -0.58 0.03 0.00 0.00 0.00 0.00 36.38 35.88 1xry s VAL 190 CO 0.84 0.21 -0.14 -0.69 0.00 0.00 0.00 175.10 175.32 1xry s VAL 191 N 0.30 1.62 -0.09 2.92 1.01 -0.27 -0.59 120.40 125.29 1xry s VAL 191 Ca -0.04 -0.71 -0.23 0.00 0.00 0.00 0.00 61.98 61.00 1xry s VAL 191 Cb -0.09 -1.54 -0.03 0.00 0.00 0.00 0.00 36.38 34.72 1xry s VAL 191 CO 0.00 0.42 0.68 -0.36 0.00 0.00 0.00 175.10 175.84 1xry s PHE 192 N 1.46 3.54 -0.05 5.22 0.40 -0.24 0.19 117.98 128.49 1xry s PHE 192 Ca 0.04 1.18 -0.30 0.00 -0.60 0.00 0.00 56.93 57.25 1xry s PHE 192 Cb -0.13 -2.79 -0.03 0.00 0.51 0.00 0.00 43.02 40.58 1xry s PHE 192 CO -0.10 0.05 1.05 0.42 0.70 0.00 0.00 175.22 177.34 1xry s ILE 193 N 0.99 4.64 -1.72 0.64 -1.09 -0.67 -1.36 121.20 122.63 1xry s ILE 193 Ca 0.36 1.90 0.23 0.00 -2.23 0.00 0.00 60.65 60.91 1xry s ILE 193 Cb -0.17 -4.22 -0.03 0.00 -1.58 0.00 0.00 42.46 36.45 1xry s ILE 193 CO 0.16 0.06 1.10 0.35 -1.23 0.00 0.00 174.94 175.39 1xry n THR 194 N 4.30 0.00 -4.03 2.92 -2.24 0.79 -4.55 114.28 111.48 1xry n THR 194 Ca 0.08 -0.17 -0.34 0.00 -2.27 0.00 0.00 64.05 61.35 1xry n THR 194 Cb 0.49 1.07 -0.06 0.00 -2.10 0.00 0.00 70.33 69.72 1xry n THR 194 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1xry s ASP 195 N -2.63 5.97 -1.49 3.42 -4.77 -1.26 -4.28 116.67 111.62 1xry s ASP 195 Ca 0.16 0.27 0.00 0.00 -3.30 0.00 0.00 52.55 49.68 1xry s ASP 195 Cb 0.18 -1.81 0.00 0.00 -1.09 0.00 0.00 42.92 40.20 1xry s ASP 195 CO 0.64 0.31 0.00 -1.22 0.70 0.00 0.00 175.17 175.61 1xry n TYR 196 N 1.39 -0.31 -4.19 2.11 4.01 -1.26 -4.88 117.16 114.03 1xry n TYR 196 Ca -0.15 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.48 1xry n TYR 196 Cb 0.53 -2.89 -0.10 0.00 -0.31 0.00 0.00 39.34 36.57 1xry n TYR 196 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1xry s THR 197 N -2.65 0.57 -0.21 -0.72 -4.23 -1.26 -4.39 115.64 102.75 1xry s THR 197 Ca 0.00 -1.94 -0.20 0.00 -1.18 0.00 0.00 61.69 58.37 1xry s THR 197 Cb 0.00 -1.91 -0.03 0.00 1.34 0.00 0.00 72.50 71.90 1xry s THR 197 CO 0.00 -0.65 0.58 -0.62 -0.54 0.00 0.00 174.62 173.39 1xry s ASP 198 N -3.09 6.60 0.34 3.99 -1.08 0.25 -4.90 116.67 118.78 1xry s ASP 198 Ca 0.18 0.73 0.03 0.00 -0.52 0.00 0.00 52.55 52.97 1xry s ASP 198 Cb 0.06 -2.32 0.60 0.00 -1.46 0.00 0.00 42.92 39.80 1xry s ASP 198 CO -0.00 -0.25 1.93 0.77 0.52 0.00 0.00 175.17 178.14 1xry h SER 199 N 7.56 0.63 -0.33 -0.34 4.64 -1.91 0.11 113.55 123.91 1xry h SER 199 Ca -0.32 -0.07 -0.06 0.00 -0.47 0.00 0.00 61.79 60.88 1xry h SER 199 Cb 1.15 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 63.06 1xry h SER 199 CO 0.75 0.57 -0.02 0.78 -0.87 0.00 0.00 176.83 178.05 1xry h ASN 200 N 0.69 0.58 -0.34 4.97 2.35 -1.97 -0.15 115.58 121.70 1xry h ASN 200 Ca 0.17 -0.32 -0.07 0.00 -0.55 0.00 0.00 56.30 55.53 1xry h ASN 200 Cb 0.13 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 1xry h ASN 200 CO -0.02 0.76 -0.07 0.15 -1.65 0.00 0.00 177.43 176.61 1xry h PHE 201 N 0.39 0.73 -0.37 1.19 -0.00 -1.86 -1.63 116.94 115.39 1xry h PHE 201 Ca 0.09 -0.15 -0.00 0.00 -0.00 0.00 0.00 57.97 57.91 1xry h PHE 201 Cb 0.47 -0.18 -0.02 0.00 -0.00 0.00 0.00 35.95 36.22 1xry h PHE 201 CO 0.04 0.81 0.21 1.15 -0.00 0.00 0.00 178.31 180.52 1xry h THR 202 N 0.44 1.13 -0.14 4.41 2.02 -0.69 -1.80 112.91 118.28 1xry h THR 202 Ca 0.09 -0.32 -0.06 0.00 0.77 0.00 0.00 66.41 66.89 1xry h THR 202 Cb 0.56 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 1xry h THR 202 CO 0.03 0.13 -0.18 1.56 0.37 0.00 0.00 175.52 177.44 1xry h GLN 203 N 0.48 0.24 -0.66 6.66 1.08 -0.99 -2.33 115.11 119.59 1xry h GLN 203 Ca 0.13 -0.06 -0.04 0.00 -1.45 0.00 0.00 58.65 57.23 1xry h GLN 203 Cb 0.03 -0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.40 1xry h GLN 203 CO -0.02 0.42 0.26 -0.92 -0.95 0.00 0.00 178.83 177.62 1xry h TYR 204 N 0.22 1.00 -0.47 2.96 5.03 -0.76 -2.44 116.97 122.51 1xry h TYR 204 Ca 0.04 -0.08 -0.02 0.00 2.58 0.00 0.00 58.73 61.26 1xry h TYR 204 Cb 0.45 -0.30 -0.02 0.00 1.55 0.00 0.00 36.73 38.41 1xry h TYR 204 CO 0.01 0.78 0.21 -0.07 -1.32 0.00 0.00 178.16 177.77 1xry h LEU 205 N 0.93 0.59 -1.35 2.82 3.38 -0.80 -0.75 115.31 120.12 1xry h LEU 205 Ca 0.22 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 1xry h LEU 205 Cb 0.21 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1xry h LEU 205 CO -0.02 0.52 -0.25 0.71 0.09 0.00 0.00 178.44 179.49 1xry h THR 206 N 0.66 0.73 -0.04 0.22 1.35 -1.13 -2.15 112.91 112.54 1xry h THR 206 Ca 0.16 -1.05 -0.20 0.00 -0.55 0.00 0.00 66.41 64.78 1xry h THR 206 Cb 0.10 1.66 -0.00 0.00 -1.73 0.00 0.00 68.15 68.17 1xry h THR 206 CO -0.02 0.24 -0.81 1.56 -0.25 0.00 0.00 175.52 176.25 1xry h GLN 207 N 0.00 0.37 -0.61 4.72 4.20 -0.80 -1.32 115.11 121.68 1xry h GLN 207 Ca -0.00 -0.34 -0.07 0.00 0.06 0.00 0.00 58.65 58.30 1xry h GLN 207 Cb 0.64 0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.47 1xry h GLN 207 CO 0.03 1.00 0.11 -0.07 -0.67 0.00 0.00 178.83 179.23 1xry h LEU 208 N 0.24 0.92 -0.47 1.46 3.38 -0.84 -1.74 115.31 118.25 1xry h LEU 208 Ca -0.05 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 57.65 1xry h LEU 208 Cb 1.40 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.89 1xry h LEU 208 CO 0.14 0.92 -0.01 0.24 0.09 0.00 0.00 178.44 179.81 1xry h MET 209 N 0.92 0.84 -1.01 1.13 2.86 -1.20 0.32 114.93 118.80 1xry h MET 209 Ca 0.19 -0.27 0.01 0.00 -2.06 0.00 0.00 59.70 57.57 1xry h MET 209 Cb 0.38 -0.07 -0.05 0.00 0.06 0.00 0.00 31.60 31.92 1xry h MET 209 CO 0.01 0.90 0.67 -0.44 1.06 0.00 0.00 176.91 179.10 1xry h ASP 210 N 0.70 1.15 0.05 1.22 3.45 -0.87 0.31 116.42 122.44 1xry h ASP 210 Ca 0.13 -0.03 -0.09 0.00 0.43 0.00 0.00 57.03 57.47 1xry h ASP 210 Cb 0.52 -0.29 0.01 0.00 -0.56 0.00 0.00 39.33 39.01 1xry h ASP 210 CO 0.03 0.83 -0.39 -0.08 -1.57 0.00 0.00 179.24 178.06 1xry h GLU 211 N 1.36 0.18 0.00 3.56 4.57 -1.14 -3.35 114.58 119.76 1xry h GLU 211 Ca 0.37 -0.26 -0.04 0.00 -1.18 0.00 0.00 59.36 58.25 1xry h GLU 211 Cb -0.15 0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.52 1xry h GLU 211 CO -0.08 1.07 -1.93 0.66 -1.18 0.00 0.00 179.01 177.55 1xry n TYR 212 N -4.39 0.00 -2.63 0.92 4.01 0.11 -4.62 117.16 110.57 1xry n TYR 212 Ca -0.11 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.45 1xry n TYR 212 Cb 0.62 -0.50 0.01 0.00 -0.31 0.00 0.00 39.34 39.16 1xry n TYR 212 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1xry n LEU 213 N -2.23 2.91 -0.19 7.72 4.77 0.11 -4.94 117.00 125.14 1xry n LEU 213 Ca -0.07 -4.51 0.22 0.00 -0.03 0.00 0.00 56.01 51.63 1xry n LEU 213 Cb 0.58 0.03 0.60 0.00 -2.33 0.00 0.00 43.42 42.30 1xry n LEU 213 CO 0.40 1.92 1.23 1.55 -1.33 0.00 0.00 177.39 181.17 1xry h PRO 214 N 2.83 0.22 0.00 3.23 0.13 -1.56 -1.04 132.00 135.80 1xry h PRO 214 Ca 0.09 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1xry h PRO 214 Cb 1.03 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1xry h PRO 214 CO 0.66 0.15 0.00 -1.13 -0.23 0.00 0.00 178.00 177.45 1xry n SER 215 N -4.42 0.60 -4.87 1.44 3.41 -1.26 -4.79 113.62 103.73 1xry n SER 215 Ca 0.18 0.61 -0.32 0.00 -0.26 0.00 0.00 58.87 59.08 1xry n SER 215 Cb 0.77 -0.75 -0.06 0.00 -0.26 0.00 0.00 64.21 63.91 1xry n SER 215 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1xry s LEU 216 N -4.24 4.13 0.04 1.04 1.43 -0.40 -5.09 118.68 115.60 1xry s LEU 216 Ca 0.07 1.02 0.04 0.00 -1.03 0.00 0.00 54.13 54.24 1xry s LEU 216 Cb 0.11 -3.80 -0.04 0.00 0.03 0.00 0.00 46.19 42.49 1xry s LEU 216 CO 0.45 -0.12 -0.06 0.42 0.23 0.00 0.00 176.35 177.27 1xry s THR 217 N -1.88 3.65 0.10 5.49 -4.23 -1.26 -5.00 115.64 112.51 1xry s THR 217 Ca 0.49 -0.93 0.03 0.00 -1.18 0.00 0.00 61.69 60.10 1xry s THR 217 Cb -0.11 -2.65 -0.04 0.00 1.34 0.00 0.00 72.50 71.05 1xry s THR 217 CO 0.20 0.27 -0.10 -0.72 -0.54 0.00 0.00 174.62 173.74 1xry s TYR 218 N -1.11 1.03 0.00 3.99 1.13 -1.26 -0.38 117.35 120.75 1xry s TYR 218 Ca 0.20 -0.68 0.00 0.00 -1.41 0.00 0.00 57.07 55.18 1xry s TYR 218 Cb -0.11 -0.57 0.00 0.00 -1.10 0.00 0.00 41.96 40.18 1xry s TYR 218 CO 0.11 -0.02 0.00 0.41 -2.51 0.00 0.00 175.55 173.54 1xry n GLY 219 N 0.53 4.23 3.06 5.49 0.00 0.24 -4.97 105.19 113.76 1xry n GLY 219 Ca -0.16 -1.72 -0.11 0.00 0.00 0.00 0.00 46.02 44.03 1xry n GLY 219 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xry s PHE 220 N -1.71 0.56 0.26 1.61 0.40 -1.26 -1.08 117.98 116.76 1xry s PHE 220 Ca 0.00 -0.64 -0.20 0.00 -0.60 0.00 0.00 56.93 55.48 1xry s PHE 220 Cb 0.00 -0.35 0.06 0.00 0.51 0.00 0.00 43.02 43.24 1xry s PHE 220 CO 0.00 -0.16 0.91 0.34 0.70 0.00 0.00 175.22 177.01 1xry s ASP 221 N -1.94 -0.04 0.12 1.36 3.68 -0.46 -4.88 116.67 114.51 1xry s ASP 221 Ca -0.06 -0.81 0.04 0.00 2.13 0.00 0.00 52.55 53.85 1xry s ASP 221 Cb -0.05 0.65 -0.04 0.00 -1.45 0.00 0.00 42.92 42.02 1xry s ASP 221 CO -0.02 -1.27 -0.11 0.42 0.13 0.00 0.00 175.17 174.33 1xry s THR 222 N -2.51 1.11 -0.13 1.71 -4.23 -1.26 -0.15 115.64 110.18 1xry s THR 222 Ca 0.17 -1.86 -0.13 0.00 -1.18 0.00 0.00 61.69 58.70 1xry s THR 222 Cb -0.04 -1.62 -0.25 0.00 1.34 0.00 0.00 72.50 71.93 1xry s THR 222 CO 0.07 -0.63 0.42 0.00 -0.54 0.00 0.00 174.62 173.94 1xry n GLY 224 N 1.79 0.49 3.83 0.00 0.00 -1.26 -5.03 105.19 105.01 1xry n GLY 224 Ca -0.29 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.69 1xry n GLY 224 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1xry s TYR 225 N -2.00 0.01 -1.18 1.61 1.13 -1.26 -5.06 117.35 110.61 1xry s TYR 225 Ca 0.00 -0.42 -0.21 0.00 -1.41 0.00 0.00 57.07 55.03 1xry s TYR 225 Cb 0.00 0.70 -0.00 0.00 -1.10 0.00 0.00 41.96 41.56 1xry s TYR 225 CO 0.00 -0.98 1.80 0.00 -2.51 0.00 0.00 175.55 173.86 1xry s ALA 226 N -2.55 2.49 -0.77 9.51 0.00 -1.26 -4.77 121.76 124.41 1xry s ALA 226 Ca 0.18 -2.39 0.26 0.00 0.00 0.00 0.00 51.96 50.01 1xry s ALA 226 Cb -0.03 -4.63 0.81 0.00 0.00 0.00 0.00 23.12 19.27 1xry s ALA 226 CO 0.05 -4.23 1.74 0.00 0.00 0.00 0.00 175.76 173.32 1xry s SER 228 N -4.24 0.15 0.64 0.00 0.15 -1.26 -5.06 113.70 104.08 1xry s SER 228 Ca 0.11 -1.12 0.30 0.00 0.70 0.00 0.00 55.95 55.94 1xry s SER 228 Cb 0.14 0.77 1.63 0.00 -1.71 0.00 0.00 66.02 66.85 1xry s SER 228 CO 0.60 -1.50 1.95 0.44 1.20 0.00 0.00 173.24 175.93 1xry h ASP 229 N 2.05 0.00 -0.30 5.45 5.19 -1.96 -1.72 116.42 125.14 1xry h ASP 229 Ca -0.29 0.00 0.04 0.00 -0.62 0.00 0.00 57.03 56.16 1xry h ASP 229 Cb 1.25 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.74 1xry h ASP 229 CO 0.37 0.00 0.20 1.12 -3.12 0.00 0.00 179.24 177.81 1xry h HIS 230 N 0.00 0.22 -0.45 4.55 2.07 -1.91 -0.68 115.15 118.95 1xry h HIS 230 Ca 0.06 0.01 -0.00 0.00 -2.85 0.00 0.00 60.37 57.58 1xry h HIS 230 Cb 0.73 -0.07 -0.02 0.00 2.57 0.00 0.00 27.41 30.62 1xry h HIS 230 CO 0.00 0.13 0.27 0.00 -3.07 0.00 0.00 177.93 175.26 1xry h ALA 231 N 1.84 1.63 -0.64 6.11 0.00 -1.51 -0.85 119.26 125.83 1xry h ALA 231 Ca 0.13 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1xry h ALA 231 Cb 0.22 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1xry h ALA 231 CO -0.02 0.33 0.25 0.77 0.00 0.00 0.00 179.25 180.58 1xry h SER 232 N 0.62 0.88 -0.35 0.00 0.02 -1.31 0.42 113.55 113.83 1xry h SER 232 Ca 0.16 -0.17 -0.16 0.00 -0.84 0.00 0.00 61.79 60.78 1xry h SER 232 Cb -0.02 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.29 1xry h SER 232 CO -0.03 0.81 -0.40 -0.50 -1.14 0.00 0.00 176.83 175.57 1xry h TRP 233 N 0.89 1.08 0.06 3.45 4.06 -1.42 -2.75 115.95 121.33 1xry h TRP 233 Ca 0.21 -0.34 0.01 0.00 2.06 0.00 0.00 58.89 60.83 1xry h TRP 233 Cb 0.21 -0.22 -0.01 0.00 -1.00 0.00 0.00 29.16 28.14 1xry h TRP 233 CO 0.01 1.16 -0.07 1.25 -3.56 0.00 0.00 178.44 177.23 1xry h HIS 234 N 0.70 -0.18 0.00 0.49 2.76 -0.93 -1.04 115.15 116.94 1xry h HIS 234 Ca 0.05 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.22 1xry h HIS 234 Cb 1.00 0.07 0.00 0.00 1.55 0.00 0.00 27.41 30.04 1xry h HIS 234 CO 0.07 -0.11 0.00 -0.91 -1.30 0.00 0.00 177.93 175.67 1xry h ASN 235 N -0.16 0.00 0.35 3.26 2.35 -0.94 -0.30 115.58 120.14 1xry h ASN 235 Ca 0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1xry h ASN 235 Cb 0.16 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.53 1xry h ASN 235 CO -0.03 0.00 -0.14 0.00 -1.65 0.00 0.00 177.43 175.61 1xry n ALA 236 N -2.05 2.82 -0.29 -0.83 0.00 -0.81 -4.91 120.51 114.44 1xry n ALA 236 Ca -0.01 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1xry n ALA 236 Cb 0.20 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.36 1xry n ALA 236 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xry n GLY 237 N 1.30 0.82 3.66 0.00 0.00 -0.12 -5.02 105.19 105.83 1xry n GLY 237 Ca 0.14 -0.30 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 1xry n GLY 237 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xry s TYR 238 N -2.00 2.94 0.05 1.61 2.02 -0.46 -5.02 117.35 116.49 1xry s TYR 238 Ca 0.00 -0.05 -0.31 0.00 -0.37 0.00 0.00 57.07 56.35 1xry s TYR 238 Cb 0.00 -1.52 -0.07 0.00 -0.40 0.00 0.00 41.96 39.97 1xry s TYR 238 CO 0.00 0.47 1.51 -2.14 -1.57 0.00 0.00 175.55 173.82 1xry s PRO 239 N -2.23 4.25 0.10 -1.71 0.02 -1.26 -3.80 135.00 130.36 1xry s PRO 239 Ca 0.24 2.15 0.03 0.00 0.02 0.00 0.00 61.00 63.45 1xry s PRO 239 Cb -0.12 -3.53 -0.04 0.00 0.02 0.00 0.00 34.50 30.84 1xry s PRO 239 CO 0.17 -0.63 -0.09 0.00 -0.33 0.00 0.00 177.00 176.12 1xry s ALA 240 N 2.31 1.11 0.08 -1.55 0.00 -1.26 -0.87 121.76 121.57 1xry s ALA 240 Ca 0.68 -1.25 -0.13 0.00 0.00 0.00 0.00 51.96 51.27 1xry s ALA 240 Cb -0.36 0.06 0.02 0.00 0.00 0.00 0.00 23.12 22.84 1xry s ALA 240 CO 0.29 -0.09 0.30 0.00 0.00 0.00 0.00 175.76 176.27 1xry s ALA 241 N -2.78 -0.63 -0.27 0.00 0.00 -0.70 -0.58 121.76 116.80 1xry s ALA 241 Ca 0.08 -0.19 -0.01 0.00 0.00 0.00 0.00 51.96 51.84 1xry s ALA 241 Cb -0.01 0.48 0.13 0.00 0.00 0.00 0.00 23.12 23.72 1xry s ALA 241 CO -0.01 -0.51 0.31 1.41 0.00 0.00 0.00 175.76 176.96 1xry s MET 242 N -3.31 0.31 -0.08 0.00 1.75 -1.26 -1.30 119.30 115.42 1xry s MET 242 Ca 0.00 0.06 -0.27 0.00 -1.25 0.00 0.00 55.69 54.23 1xry s MET 242 Cb 0.02 -0.70 -0.03 0.00 2.84 0.00 0.00 34.83 36.96 1xry s MET 242 CO -0.08 -0.90 0.85 -1.25 -0.65 0.00 0.00 175.02 172.99 1xry s PRO 243 N 2.40 4.43 0.16 4.11 0.04 -1.26 -1.66 135.00 143.22 1xry s PRO 243 Ca 0.09 1.14 0.06 0.00 0.04 0.00 0.00 61.00 62.33 1xry s PRO 243 Cb -0.14 -3.50 -0.04 0.00 0.04 0.00 0.00 34.50 30.86 1xry s PRO 243 CO -0.26 -0.12 0.03 0.12 0.04 0.00 0.00 177.00 176.80 1xry s PHE 244 N 1.39 2.93 0.61 0.56 5.36 0.49 -4.64 117.98 124.68 1xry s PHE 244 Ca 0.43 -0.09 0.32 0.00 -0.96 0.00 0.00 56.93 56.63 1xry s PHE 244 Cb -0.18 -1.43 1.84 0.00 -0.34 0.00 0.00 43.02 42.90 1xry s PHE 244 CO 0.19 0.51 2.18 1.05 -1.46 0.00 0.00 175.22 177.69 1xry h GLU 245 N 2.78 0.00 0.00 10.12 4.11 -1.72 -0.71 114.58 129.15 1xry h GLU 245 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 1xry h GLU 245 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1xry h GLU 245 CO 0.59 0.00 0.00 -1.13 0.07 0.00 0.00 179.01 178.54 1xry n SER 246 N -3.61 0.00 -4.77 3.06 3.41 -1.26 -4.37 113.62 106.07 1xry n SER 246 Ca -0.01 -0.91 -0.37 0.00 -0.26 0.00 0.00 58.87 57.32 1xry n SER 246 Cb 0.22 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 1xry n SER 246 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1xry s LYS 247 N -1.74 3.59 0.40 4.33 -0.14 -1.26 -4.67 119.74 120.25 1xry s LYS 247 Ca 0.00 1.84 0.15 0.00 -1.36 0.00 0.00 55.97 56.59 1xry s LYS 247 Cb 0.00 -2.33 1.00 0.00 -1.68 0.00 0.00 37.83 34.82 1xry s LYS 247 CO 0.00 -0.71 1.88 0.35 -0.76 0.00 0.00 175.35 176.11 1xry h PHE 248 N 1.84 0.60 0.00 3.18 3.04 -1.94 0.07 116.94 123.73 1xry h PHE 248 Ca -0.50 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.47 1xry h PHE 248 Cb 1.26 -0.19 0.00 0.00 2.56 0.00 0.00 35.95 39.58 1xry h PHE 248 CO 0.52 0.20 0.00 0.27 -2.02 0.00 0.00 178.31 177.27 1xry n ASN 249 N -4.52 0.02 -0.73 0.41 6.94 -1.26 -3.43 115.26 112.69 1xry n ASN 249 Ca 0.17 0.50 0.07 0.00 -0.02 0.00 0.00 54.58 55.31 1xry n ASN 249 Cb 0.59 -0.51 0.21 0.00 -2.36 0.00 0.00 39.78 37.71 1xry n ASN 249 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 1xry n ASP 250 N -1.52 3.42 -4.73 0.53 8.00 0.00 -5.05 116.55 117.20 1xry n ASP 250 Ca 0.06 -2.66 -0.33 0.00 0.71 0.00 0.00 54.79 52.58 1xry n ASP 250 Cb 0.32 -0.42 0.10 0.00 -0.02 0.00 0.00 41.12 41.10 1xry n ASP 250 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1xry s TYR 251 N -2.18 2.16 -0.44 1.24 1.13 -1.16 -4.28 117.35 113.82 1xry s TYR 251 Ca 0.34 1.62 -0.41 0.00 -1.41 0.00 0.00 57.07 57.21 1xry s TYR 251 Cb 0.25 -3.33 -0.16 0.00 -1.10 0.00 0.00 41.96 37.62 1xry s TYR 251 CO 0.10 -2.35 2.11 -1.71 -2.51 0.00 0.00 175.55 171.19 1xry n ASN 252 N -3.03 1.33 0.00 -0.18 2.85 -1.26 -4.79 115.26 110.18 1xry n ASN 252 Ca 0.12 0.63 0.06 0.00 -0.11 0.00 0.00 54.58 55.29 1xry n ASN 252 Cb 0.51 -1.04 0.29 0.00 1.24 0.00 0.00 39.78 40.79 1xry n ASN 252 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1xry n PRO 253 N 7.46 0.06 -0.08 1.20 -0.04 -1.26 -2.99 135.00 139.34 1xry n PRO 253 Ca 0.48 0.24 0.12 0.00 -0.04 0.00 0.00 63.50 64.30 1xry n PRO 253 Cb 0.06 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.19 1xry n PRO 253 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1xry n ARG 254 N -1.44 2.36 -1.93 0.54 1.74 -1.26 -4.98 116.66 111.69 1xry n ARG 254 Ca 0.04 -2.00 -0.36 0.00 -0.77 0.00 0.00 57.85 54.75 1xry n ARG 254 Cb 0.14 -1.48 0.04 0.00 -1.02 0.00 0.00 32.46 30.14 1xry n ARG 254 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 1xry s ILE 255 N -1.79 2.44 -1.47 0.55 -4.36 -1.16 -2.50 121.20 112.91 1xry s ILE 255 Ca 0.33 0.28 0.00 0.00 -0.26 0.00 0.00 60.65 61.00 1xry s ILE 255 Cb 0.21 -3.11 0.00 0.00 1.25 0.00 0.00 42.46 40.81 1xry s ILE 255 CO 0.31 -0.06 0.00 1.41 0.24 0.00 0.00 174.94 176.84 1xry n HIS 256 N -1.67 -0.29 -4.38 1.37 8.25 -1.26 -4.99 115.22 112.26 1xry n HIS 256 Ca 0.14 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.41 1xry n HIS 256 Cb 0.49 -2.84 -0.10 0.00 1.12 0.00 0.00 29.99 28.66 1xry n HIS 256 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1xry s THR 257 N -2.63 0.63 -1.01 1.59 -4.23 -1.04 -4.25 115.64 104.70 1xry s THR 257 Ca 0.00 -2.00 0.16 0.00 -1.18 0.00 0.00 61.69 58.67 1xry s THR 257 Cb 0.00 -2.59 0.14 0.00 1.34 0.00 0.00 72.50 71.39 1xry s THR 257 CO 0.00 0.00 1.52 0.35 -0.54 0.00 0.00 174.62 175.95 1xry n THR 258 N -0.62 0.87 0.76 3.99 -2.24 -1.26 -2.81 114.28 112.97 1xry n THR 258 Ca -0.01 0.22 0.10 0.00 -2.27 0.00 0.00 64.05 62.09 1xry n THR 258 Cb 0.66 -0.94 0.28 0.00 -2.10 0.00 0.00 70.33 68.23 1xry n THR 258 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xry n GLN 259 N -1.50 2.06 -2.50 -0.78 1.13 -1.26 -4.69 117.38 109.85 1xry n GLN 259 Ca 0.04 -1.61 -0.43 0.00 -1.94 0.00 0.00 57.00 53.06 1xry n GLN 259 Cb 0.19 -1.42 -0.00 0.00 0.11 0.00 0.00 30.24 29.12 1xry n GLN 259 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1xry n ASP 260 N 0.82 4.81 -4.60 1.08 4.64 -1.12 -4.73 116.55 117.44 1xry n ASP 260 Ca 0.17 -2.91 -0.26 0.00 -1.38 0.00 0.00 54.79 50.41 1xry n ASP 260 Cb 0.43 -1.74 -0.10 0.00 -1.04 0.00 0.00 41.12 38.67 1xry n ASP 260 CO 0.00 0.00 0.00 0.42 -0.82 0.00 0.00 177.20 176.80 1xry s THR 261 N 4.31 2.35 0.22 5.18 -4.23 -1.26 -0.80 115.64 121.41 1xry s THR 261 Ca 0.54 -2.05 -0.09 0.00 -1.18 0.00 0.00 61.69 58.90 1xry s THR 261 Cb 0.05 -2.78 0.18 0.00 1.34 0.00 0.00 72.50 71.29 1xry s THR 261 CO 0.07 -0.16 1.89 0.25 -0.54 0.00 0.00 174.62 176.13 1xry h LEU 262 N 1.86 0.92 -1.52 4.79 5.85 -1.91 -1.93 115.31 123.38 1xry h LEU 262 Ca -0.43 -0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.35 1xry h LEU 262 Cb 1.25 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 42.01 1xry h LEU 262 CO 0.71 0.66 0.42 0.00 -0.34 0.00 0.00 178.44 179.89 1xry h ALA 263 N 1.30 1.84 -0.05 1.25 0.00 -1.95 -1.35 119.26 120.31 1xry h ALA 263 Ca 0.30 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1xry h ALA 263 Cb -0.11 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.54 1xry h ALA 263 CO -0.07 0.04 0.00 0.09 0.00 0.00 0.00 179.25 179.31 1xry n ASN 264 N -4.48 1.28 0.00 0.00 3.02 -0.75 -4.65 115.26 109.68 1xry n ASN 264 Ca 0.09 -1.48 0.00 0.00 -0.03 0.00 0.00 54.58 53.17 1xry n ASN 264 Cb 0.27 -0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.42 1xry n ASN 264 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1xry n SER 265 N 0.01 0.00 -3.42 6.41 3.41 -0.53 -4.93 113.62 114.58 1xry n SER 265 Ca 0.19 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.59 1xry n SER 265 Cb 0.30 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.15 1xry n SER 265 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1xry s ASP 266 N 0.14 2.08 0.60 4.04 2.15 -0.92 -4.79 116.67 119.96 1xry s ASP 266 Ca 0.00 -1.36 0.29 0.00 0.43 0.00 0.00 52.55 51.92 1xry s ASP 266 Cb 0.00 0.21 1.63 0.00 -0.30 0.00 0.00 42.92 44.47 1xry s ASP 266 CO 0.00 -0.34 2.04 -0.65 -0.17 0.00 0.00 175.17 176.04 1xry h PRO 267 N 7.70 0.00 0.00 4.34 0.11 -1.82 0.11 132.00 142.44 1xry h PRO 267 Ca -0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.06 1xry h PRO 267 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1xry h PRO 267 CO 0.30 0.00 -0.32 1.79 -0.21 0.00 0.00 178.00 179.56 1xry h THR 268 N 0.00 0.00 -0.06 -1.15 1.35 -1.95 -3.48 112.91 107.63 1xry h THR 268 Ca 0.11 -0.82 -0.03 0.00 -0.55 0.00 0.00 66.41 65.12 1xry h THR 268 Cb 0.68 1.65 -0.01 0.00 -1.73 0.00 0.00 68.15 68.73 1xry h THR 268 CO -0.00 0.00 -0.02 0.61 -0.25 0.00 0.00 175.52 175.85 1xry n GLY 269 N 1.19 0.36 0.24 5.82 0.00 0.38 -4.71 105.19 108.48 1xry n GLY 269 Ca 0.03 -0.07 0.01 0.00 0.00 0.00 0.00 46.02 45.99 1xry n GLY 269 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1xry h SER 270 N 0.00 0.29 0.05 1.61 4.64 -1.91 -1.13 113.55 117.11 1xry h SER 270 Ca -0.03 -0.07 -0.00 0.00 -0.47 0.00 0.00 61.79 61.22 1xry h SER 270 Cb 0.53 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 1xry h SER 270 CO 0.04 0.48 -0.03 -0.74 -0.87 0.00 0.00 176.83 175.71 1xry h HIS 271 N 0.29 -0.07 -0.40 4.77 6.17 -1.90 -3.11 115.15 120.90 1xry h HIS 271 Ca 0.05 -0.00 0.09 0.00 0.71 0.00 0.00 60.37 61.23 1xry h HIS 271 Cb 0.46 0.02 -0.02 0.00 2.52 0.00 0.00 27.41 30.39 1xry h HIS 271 CO 0.01 0.46 0.28 0.00 0.71 0.00 0.00 177.93 179.39 1xry h ALA 272 N 0.23 2.23 -0.62 5.26 0.00 -1.26 -1.01 119.26 124.09 1xry h ALA 272 Ca -0.01 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.92 1xry h ALA 272 Cb 0.56 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1xry h ALA 272 CO 0.01 -0.33 0.41 -0.22 0.00 0.00 0.00 179.25 179.12 1xry h LYS 273 N 0.11 0.73 -0.30 0.00 3.64 -1.14 -1.49 116.57 118.12 1xry h LYS 273 Ca 0.19 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 1xry h LYS 273 Cb 0.60 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 1xry h LYS 273 CO -0.02 0.49 0.15 0.87 -2.27 0.00 0.00 179.45 178.66 1xry h LYS 274 N 0.76 0.44 -0.06 1.90 1.57 -1.20 -0.66 116.57 119.31 1xry h LYS 274 Ca 0.24 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.87 1xry h LYS 274 Cb 0.03 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 1xry h LYS 274 CO -0.06 0.40 -0.38 0.74 -0.57 0.00 0.00 179.45 179.59 1xry h PHE 275 N 0.36 0.14 -0.26 -1.35 0.04 -1.51 -1.33 116.94 113.03 1xry h PHE 275 Ca 0.10 -0.03 -0.09 0.00 2.80 0.00 0.00 57.97 60.75 1xry h PHE 275 Cb 0.11 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.22 1xry h PHE 275 CO -0.02 0.49 -0.18 1.15 -0.60 0.00 0.00 178.31 179.15 1xry h THR 276 N 0.11 1.30 -0.57 -1.55 2.02 -0.93 -0.49 112.91 112.79 1xry h THR 276 Ca 0.01 -1.30 -0.07 0.00 0.77 0.00 0.00 66.41 65.82 1xry h THR 276 Cb 0.72 1.57 -0.02 0.00 -1.74 0.00 0.00 68.15 68.68 1xry h THR 276 CO 0.05 0.41 0.07 1.56 0.37 0.00 0.00 175.52 177.99 1xry h GLN 277 N 0.31 0.92 -0.44 6.66 4.20 -0.88 -0.21 115.11 125.68 1xry h GLN 277 Ca 0.05 -0.23 -0.05 0.00 0.06 0.00 0.00 58.65 58.48 1xry h GLN 277 Cb 0.71 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.36 1xry h GLN 277 CO 0.05 0.87 0.07 1.25 -0.67 0.00 0.00 178.83 180.40 1xry h LEU 278 N 0.87 0.70 -1.13 1.46 5.85 -1.14 -1.49 115.31 120.43 1xry h LEU 278 Ca 0.18 -0.26 0.01 0.00 0.84 0.00 0.00 57.88 58.65 1xry h LEU 278 Cb 0.41 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.21 1xry h LEU 278 CO 0.01 0.78 0.59 1.23 -0.34 0.00 0.00 178.44 180.71 1xry h GLY 279 N 0.59 1.25 0.79 3.75 0.00 -0.57 -0.75 103.07 108.14 1xry h GLY 279 Ca 0.13 -0.46 -0.04 0.00 0.00 0.00 0.00 47.33 46.97 1xry h GLY 279 CO 0.01 0.44 -0.03 -2.00 0.00 0.00 0.00 176.54 174.96 1xry h LEU 280 N 1.18 0.34 -0.89 3.11 5.85 -0.75 -0.30 115.31 123.85 1xry h LEU 280 Ca 0.33 -0.35 0.02 0.00 0.84 0.00 0.00 57.88 58.72 1xry h LEU 280 Cb -0.11 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 40.78 1xry h LEU 280 CO -0.08 0.60 0.58 0.00 -0.34 0.00 0.00 178.44 179.21 1xry h ALA 281 N 0.74 1.15 0.11 1.25 0.00 -1.00 -0.59 119.26 120.93 1xry h ALA 281 Ca 0.05 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1xry h ALA 281 Cb 0.45 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1xry h ALA 281 CO 0.01 0.48 -0.05 -0.92 0.00 0.00 0.00 179.25 178.77 1xry h TYR 282 N 1.16 -0.14 -0.37 0.00 3.20 -0.98 -0.28 116.97 119.56 1xry h TYR 282 Ca 0.34 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.23 1xry h TYR 282 Cb -0.07 0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.22 1xry h TYR 282 CO -0.01 -0.01 0.18 0.00 -1.64 0.00 0.00 178.16 176.67 1xry h ALA 283 N 0.64 0.45 0.30 1.82 0.00 -0.60 0.14 119.26 122.00 1xry h ALA 283 Ca -0.02 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1xry h ALA 283 Cb 0.19 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1xry h ALA 283 CO 0.03 -0.20 -0.15 0.82 0.00 0.00 0.00 179.25 179.76 1xry h ILE 284 N 0.36 0.73 0.60 0.00 2.04 -1.06 0.19 117.51 120.38 1xry h ILE 284 Ca 0.16 -0.30 -0.03 0.00 1.00 0.00 0.00 64.86 65.68 1xry h ILE 284 Cb 0.07 0.90 0.01 0.00 -0.74 0.00 0.00 36.82 37.06 1xry h ILE 284 CO -0.12 0.06 -0.29 -0.33 0.00 0.00 0.00 178.15 177.48 1xry h GLU 285 N -0.57 -0.78 0.00 2.37 4.39 -0.95 -1.75 114.58 117.29 1xry h GLU 285 Ca -0.04 0.05 -0.07 0.00 0.34 0.00 0.00 59.36 59.64 1xry h GLU 285 Cb 0.42 0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 29.23 1xry h GLU 285 CO 0.07 -0.49 -0.33 0.52 -1.16 0.00 0.00 179.01 177.62 1xry h MET 286 N -0.89 0.00 0.00 2.33 2.86 -1.06 -2.84 114.93 115.34 1xry h MET 286 Ca -0.08 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.50 1xry h MET 286 Cb 0.65 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.30 1xry h MET 286 CO 0.14 0.33 -0.29 0.78 1.06 0.00 0.00 176.91 178.93 1xry h GLY 287 N 1.25 0.00 -1.11 8.32 0.00 -0.55 -3.19 103.07 107.80 1xry h GLY 287 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1xry h GLY 287 CO 0.04 0.00 0.00 1.44 0.00 0.00 0.00 176.54 178.02 1xry n SER 288 N -3.26 2.14 -4.77 0.19 7.64 -0.67 -1.23 113.62 113.66 1xry n SER 288 Ca 0.02 -1.72 -0.25 0.00 1.01 0.00 0.00 58.87 57.93 1xry n SER 288 Cb 0.56 -0.03 -0.06 0.00 -1.01 0.00 0.00 64.21 63.68 1xry n SER 288 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xry s ALA 289 N -1.94 3.48 0.04 -0.43 0.00 -1.16 -4.81 121.76 116.93 1xry s ALA 289 Ca 0.34 -1.32 -0.03 0.00 0.00 0.00 0.00 51.96 50.95 1xry s ALA 289 Cb 0.20 -1.25 -0.02 0.00 0.00 0.00 0.00 23.12 22.06 1xry s ALA 289 CO 0.31 0.42 0.03 0.95 0.00 0.00 0.00 175.76 177.47 1xry s THR 290 N -1.88 0.15 0.00 0.00 -4.23 -1.26 -4.48 115.64 103.94 1xry s THR 290 Ca 0.31 -1.24 0.00 0.00 -1.18 0.00 0.00 61.69 59.58 1xry s THR 290 Cb -0.09 -0.89 0.00 0.00 1.34 0.00 0.00 72.50 72.86 1xry s THR 290 CO 0.23 -0.68 0.00 0.61 -0.54 0.00 0.00 174.62 174.23