#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cyl n LYS 2 N 0.00 -3.22 -4.21 1.57 4.81 -1.26 -4.90 118.16 110.94 1cyl n LYS 2 Ca 0.00 2.47 -0.24 0.00 -0.87 0.00 0.00 58.31 59.67 1cyl n LYS 2 Cb 0.00 -3.83 -0.07 0.00 0.02 0.00 0.00 35.03 31.15 1cyl n LYS 2 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1cyl n ASP 4 N -0.59 -4.33 -0.05 0.00 5.68 -1.26 -4.85 116.55 111.15 1cyl n ASP 4 Ca -0.08 0.46 -0.14 0.00 -0.50 0.00 0.00 54.79 54.53 1cyl n ASP 4 Cb 0.57 -0.86 -0.08 0.00 -1.14 0.00 0.00 41.12 39.61 1cyl n ASP 4 CO 0.00 0.00 0.00 0.40 -1.33 0.00 0.00 177.20 176.27 1cyl h ILE 5 N -0.46 1.37 -1.04 2.12 1.08 -2.01 -3.16 117.51 115.42 1cyl h ILE 5 Ca -0.43 -1.51 0.29 0.00 -0.39 0.00 0.00 64.86 62.83 1cyl h ILE 5 Cb 1.38 2.04 -0.05 0.00 -3.07 0.00 0.00 36.82 37.11 1cyl h ILE 5 CO 0.34 0.44 0.73 0.00 -0.69 0.00 0.00 178.15 178.97 1cyl h THR 6 N -0.02 0.50 0.01 -0.27 1.03 -2.00 -0.93 112.91 111.23 1cyl h THR 6 Ca 0.01 -0.04 -0.00 0.00 -0.01 0.00 0.00 66.41 66.37 1cyl h THR 6 Cb 0.83 0.39 0.00 0.00 -1.07 0.00 0.00 68.15 68.29 1cyl h THR 6 CO 0.05 0.02 -0.01 0.25 -0.01 0.00 0.00 175.52 175.83 1cyl h LEU 7 N 0.11 -0.02 -1.97 0.00 5.85 -1.89 -2.32 115.31 115.07 1cyl h LEU 7 Ca 0.51 -0.55 0.21 0.00 0.84 0.00 0.00 57.88 58.90 1cyl h LEU 7 Cb 1.85 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.85 1cyl h LEU 7 CO -0.07 0.55 0.58 0.06 -0.34 0.00 0.00 178.44 179.22 1cyl h GLN 8 N -0.59 0.00 -0.10 1.25 3.07 -1.25 0.23 115.11 117.72 1cyl h GLN 8 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 58.65 58.70 1cyl h GLN 8 Cb 0.57 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.13 1cyl h GLN 8 CO 0.00 0.00 -0.11 0.93 0.09 0.00 0.00 178.83 179.75 1cyl h GLU 9 N 0.00 0.24 -0.01 0.06 5.08 -1.14 -2.15 114.58 116.66 1cyl h GLU 9 Ca 0.35 -0.13 0.01 0.00 -1.00 0.00 0.00 59.36 58.59 1cyl h GLU 9 Cb 1.52 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.77 1cyl h GLU 9 CO -0.00 0.67 -0.02 0.82 -1.00 0.00 0.00 179.01 179.48 1cyl h ILE 10 N -0.18 0.94 -0.61 3.13 1.08 -0.03 -0.99 117.51 120.85 1cyl h ILE 10 Ca 0.01 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.58 1cyl h ILE 10 Cb 0.63 0.94 -0.04 0.00 -3.07 0.00 0.00 36.82 35.28 1cyl h ILE 10 CO 0.03 0.00 0.41 0.40 -0.69 0.00 0.00 178.15 178.29 1cyl h ILE 11 N -0.03 0.91 -0.82 -0.67 2.04 -1.40 0.46 117.51 118.00 1cyl h ILE 11 Ca 0.01 -0.15 -0.03 0.00 1.00 0.00 0.00 64.86 65.69 1cyl h ILE 11 Cb 0.05 0.43 -0.04 0.00 -0.74 0.00 0.00 36.82 36.52 1cyl h ILE 11 CO -0.03 0.08 0.41 0.50 0.00 0.00 0.00 178.15 179.10 1cyl h LYS 12 N 0.44 1.17 -0.09 2.37 1.63 -0.50 -0.63 116.57 120.96 1cyl h LYS 12 Ca 0.28 -0.16 -0.04 0.00 -0.85 0.00 0.00 60.65 59.88 1cyl h LYS 12 Cb 0.51 -0.22 -0.00 0.00 -0.60 0.00 0.00 32.23 31.92 1cyl h LYS 12 CO -0.08 0.89 -0.10 1.15 -3.45 0.00 0.00 179.45 177.86 1cyl h THR 13 N 1.16 1.37 0.00 1.00 2.02 -0.27 -2.51 112.91 115.68 1cyl h THR 13 Ca 0.28 -1.28 -0.00 0.00 0.77 0.00 0.00 66.41 66.18 1cyl h THR 13 Cb 0.10 2.02 -0.00 0.00 -1.74 0.00 0.00 68.15 68.52 1cyl h THR 13 CO -0.04 0.36 -0.02 -0.07 0.37 0.00 0.00 175.52 176.12 1cyl h LEU 14 N -0.20 0.00 0.00 2.58 3.38 -1.16 -2.64 115.31 117.27 1cyl h LEU 14 Ca 0.01 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1cyl h LEU 14 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1cyl h LEU 14 CO 0.02 0.02 -0.00 -1.13 0.09 0.00 0.00 178.44 177.45 1cyl h ASN 15 N 0.00 -0.00 -0.29 -0.43 -0.73 -0.93 -3.10 115.58 110.09 1cyl h ASN 15 Ca -0.00 -0.52 0.06 0.00 1.87 0.00 0.00 56.30 57.71 1cyl h ASN 15 Cb 0.04 0.00 -0.06 0.00 0.27 0.00 0.00 38.32 38.58 1cyl h ASN 15 CO 0.00 0.51 -0.08 0.28 -0.37 0.00 0.00 177.43 177.77 1cyl h SER 16 N -0.52 -0.30 -0.96 1.15 0.02 -1.09 -1.43 113.55 110.41 1cyl h SER 16 Ca -0.00 0.09 0.16 0.00 -0.84 0.00 0.00 61.79 61.20 1cyl h SER 16 Cb 0.52 0.19 -0.10 0.00 0.14 0.00 0.00 62.40 63.16 1cyl h SER 16 CO 0.00 -0.11 0.57 -0.07 -1.14 0.00 0.00 176.83 176.08 1cyl h LEU 17 N -0.02 0.76 -0.25 5.07 3.38 -1.58 -1.82 115.31 120.86 1cyl h LEU 17 Ca 0.14 0.08 -0.12 0.00 0.09 0.00 0.00 57.88 58.08 1cyl h LEU 17 Cb 0.23 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 1cyl h LEU 17 CO -0.31 0.33 -0.29 0.74 0.09 0.00 0.00 178.44 178.99 1cyl h THR 18 N 0.80 1.31 -0.99 0.22 2.02 -1.23 -2.79 112.91 112.26 1cyl h THR 18 Ca 0.52 -1.48 0.29 0.00 0.77 0.00 0.00 66.41 66.51 1cyl h THR 18 Cb 0.71 1.68 -0.04 0.00 -1.74 0.00 0.00 68.15 68.76 1cyl h THR 18 CO -0.34 0.46 0.74 -0.08 0.37 0.00 0.00 175.52 176.67 1cyl h GLU 19 N 0.36 0.00 -2.43 6.66 4.81 -0.43 -3.35 114.58 120.20 1cyl h GLU 19 Ca 0.03 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.07 1cyl h GLU 19 Cb 0.87 0.00 -0.31 0.00 0.63 0.00 0.00 28.75 29.93 1cyl h GLU 19 CO 0.07 0.00 -0.50 1.14 -0.73 0.00 0.00 179.01 178.99 1cyl s GLN 20 N -4.91 0.25 0.00 1.92 -2.07 -1.06 -5.08 119.66 108.72 1cyl s GLN 20 Ca -0.05 0.64 0.00 0.00 -1.82 0.00 0.00 55.36 54.13 1cyl s GLN 20 Cb 0.21 -0.32 0.00 0.00 -1.09 0.00 0.00 33.01 31.81 1cyl s GLN 20 CO 0.76 -0.46 0.00 1.17 -1.32 0.00 0.00 175.29 175.44 1cyl n LYS 21 N 5.36 0.00 -0.94 9.60 3.00 -1.21 -4.62 118.16 129.35 1cyl n LYS 21 Ca -0.06 0.00 -0.06 0.00 -0.00 0.00 0.00 58.31 58.20 1cyl n LYS 21 Cb 0.50 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.50 1cyl n LYS 21 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1cyl n THR 22 N 0.00 0.00 0.00 3.15 -2.24 -1.26 -4.80 114.28 109.13 1cyl n THR 22 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1cyl n THR 22 Cb 0.00 -0.69 0.00 0.00 -2.10 0.00 0.00 70.33 67.54 1cyl n THR 22 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1cyl n LEU 23 N -0.99 0.89 0.00 3.22 7.94 -1.26 -5.00 117.00 121.80 1cyl n LEU 23 Ca -0.06 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.84 1cyl n LEU 23 Cb 0.26 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.21 1cyl n LEU 23 CO 0.08 0.00 0.00 0.00 -1.11 0.00 0.00 177.39 176.36 1cyl n THR 25 N -1.08 0.00 -0.32 0.00 -2.24 -1.26 -4.49 114.28 104.89 1cyl n THR 25 Ca 0.00 0.00 0.33 0.00 -2.27 0.00 0.00 64.05 62.11 1cyl n THR 25 Cb 0.00 0.00 0.51 0.00 -2.10 0.00 0.00 70.33 68.74 1cyl n THR 25 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1cyl n GLU 26 N 0.00 0.01 -1.03 -0.78 0.00 -1.26 -2.40 120.64 115.19 1cyl n GLU 26 Ca 0.00 1.00 -0.36 0.00 0.00 0.00 0.00 57.16 57.80 1cyl n GLU 26 Cb 0.00 -2.45 0.04 0.00 0.00 0.00 0.00 31.44 29.02 1cyl n GLU 26 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1cyl n LEU 27 N -3.34 -5.64 -4.37 4.31 4.77 -1.26 -4.61 117.00 106.86 1cyl n LEU 27 Ca 0.28 0.25 -0.33 0.00 -0.03 0.00 0.00 56.01 56.18 1cyl n LEU 27 Cb 1.60 -0.77 -0.14 0.00 -2.33 0.00 0.00 43.42 41.78 1cyl n LEU 27 CO 0.28 -5.81 -0.45 0.42 -1.33 0.00 0.00 177.39 170.50 1cyl s THR 28 N -1.98 3.05 0.17 -5.08 -4.23 -1.26 -1.62 115.64 104.69 1cyl s THR 28 Ca 0.42 -0.66 0.08 0.00 -1.18 0.00 0.00 61.69 60.35 1cyl s THR 28 Cb -0.23 -2.28 -0.04 0.00 1.34 0.00 0.00 72.50 71.29 1cyl s THR 28 CO 0.80 0.52 -0.17 0.68 -0.54 0.00 0.00 174.62 175.91 1cyl s VAL 29 N 0.39 1.77 -0.07 2.29 -7.23 -0.35 -4.85 120.40 112.36 1cyl s VAL 29 Ca -0.10 -1.97 -0.38 0.00 -1.81 0.00 0.00 61.98 57.73 1cyl s VAL 29 Cb -0.16 -1.86 -0.16 0.00 0.56 0.00 0.00 36.38 34.76 1cyl s VAL 29 CO 0.05 -0.38 1.57 0.41 -0.31 0.00 0.00 175.10 176.45 1cyl n THR 30 N 0.17 0.18 -2.32 5.32 -1.04 -1.26 -2.09 114.28 113.23 1cyl n THR 30 Ca -0.12 -0.03 -0.43 0.00 -2.04 0.00 0.00 64.05 61.43 1cyl n THR 30 Cb 0.58 -1.14 -0.00 0.00 -1.82 0.00 0.00 70.33 67.94 1cyl n THR 30 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1cyl n ASP 31 N 4.12 4.60 -1.62 8.00 5.75 -1.26 -4.76 116.55 131.37 1cyl n ASP 31 Ca 0.22 -2.89 -0.07 0.00 -0.01 0.00 0.00 54.79 52.04 1cyl n ASP 31 Cb 0.18 -1.72 0.02 0.00 -1.03 0.00 0.00 41.12 38.57 1cyl n ASP 31 CO 0.00 0.00 0.00 2.30 -0.11 0.00 0.00 177.20 179.39 1cyl n ILE 32 N 6.04 2.24 0.00 2.12 -6.64 -1.26 -4.50 119.36 117.36 1cyl n ILE 32 Ca 0.50 -0.93 0.00 0.00 -1.77 0.00 0.00 62.75 60.55 1cyl n ILE 32 Cb 0.44 -1.37 0.00 0.00 -1.44 0.00 0.00 39.64 37.27 1cyl n ILE 32 CO 0.00 0.00 0.00 0.49 -1.77 0.00 0.00 176.55 175.27 1cyl n PHE 33 N 0.90 0.00 -2.87 4.28 3.72 -1.26 -4.88 117.46 117.35 1cyl n PHE 33 Ca 0.13 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.40 1cyl n PHE 33 Cb 0.56 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.07 1cyl n PHE 33 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1cyl n ALA 34 N -3.00 -0.91 0.00 4.37 0.00 -1.26 -4.52 120.51 115.19 1cyl n ALA 34 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1cyl n ALA 34 Cb 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.41 1cyl n ALA 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1cyl n ALA 35 N -2.61 0.00 1.23 0.00 0.00 -1.26 -5.00 120.51 112.87 1cyl n ALA 35 Ca 0.04 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.53 1cyl n ALA 35 Cb 0.41 0.00 0.30 0.00 0.00 0.00 0.00 19.45 20.16 1cyl n ALA 35 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1cyl n SER 36 N 0.00 0.00 -0.69 0.00 3.41 -1.26 -2.30 113.62 112.78 1cyl n SER 36 Ca 0.00 -0.90 0.04 0.00 -0.26 0.00 0.00 58.87 57.75 1cyl n SER 36 Cb 0.00 0.00 0.20 0.00 -0.26 0.00 0.00 64.21 64.15 1cyl n SER 36 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1cyl n LYS 37 N -0.76 1.67 0.32 4.33 4.81 -1.26 -4.78 118.16 122.48 1cyl n LYS 37 Ca 0.08 -3.16 -0.15 0.00 -0.87 0.00 0.00 58.31 54.21 1cyl n LYS 37 Cb 0.04 -1.66 -0.08 0.00 0.02 0.00 0.00 35.03 33.34 1cyl n LYS 37 CO 0.00 0.00 0.00 -0.97 1.17 0.00 0.00 177.40 177.60 1cyl h ASN 38 N 0.90 -0.69 -0.86 3.14 -1.24 -1.82 -3.48 115.58 111.53 1cyl h ASN 38 Ca 0.06 -0.03 0.00 0.00 0.71 0.00 0.00 56.30 57.04 1cyl h ASN 38 Cb 1.19 0.18 0.00 0.00 0.73 0.00 0.00 38.32 40.42 1cyl h ASN 38 CO 0.11 -0.35 0.00 1.07 -1.29 0.00 0.00 177.43 176.97 1cyl n THR 39 N -5.36 0.00 -1.48 -3.57 5.66 -1.26 -5.12 114.28 103.15 1cyl n THR 39 Ca -0.12 0.00 -0.51 0.00 -3.05 0.00 0.00 64.05 60.38 1cyl n THR 39 Cb 0.35 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.09 1cyl n THR 39 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1cyl n THR 40 N 0.00 1.28 -0.33 1.09 -2.24 -1.26 -4.76 114.28 108.06 1cyl n THR 40 Ca 0.00 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 1cyl n THR 40 Cb 0.00 -0.27 0.14 0.00 -2.10 0.00 0.00 70.33 68.10 1cyl n THR 40 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1cyl h GLU 41 N 2.08 1.02 -0.82 -0.78 4.39 -1.98 -0.09 114.58 118.39 1cyl h GLU 41 Ca -0.38 -0.06 0.19 0.00 0.34 0.00 0.00 59.36 59.45 1cyl h GLU 41 Cb 1.41 -0.23 -0.05 0.00 -0.10 0.00 0.00 28.75 29.77 1cyl h GLU 41 CO 0.62 0.67 0.56 0.87 -1.16 0.00 0.00 179.01 180.57 1cyl h LYS 42 N 1.05 0.31 -0.28 2.33 1.57 -1.87 0.72 116.57 120.40 1cyl h LYS 42 Ca 0.38 -0.02 -0.13 0.00 -1.87 0.00 0.00 60.65 59.01 1cyl h LYS 42 Cb 0.12 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 1cyl h LYS 42 CO -0.16 0.20 -0.31 1.49 -0.57 0.00 0.00 179.45 180.10 1cyl h GLU 43 N 0.31 0.71 0.00 3.15 4.22 -1.33 -1.98 114.58 119.66 1cyl h GLU 43 Ca 0.41 -0.39 -0.02 0.00 0.08 0.00 0.00 59.36 59.44 1cyl h GLU 43 Cb 1.14 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.40 1cyl h GLU 43 CO -0.12 1.00 -0.12 0.00 -2.18 0.00 0.00 179.01 177.60 1cyl h THR 44 N 0.45 1.06 -0.09 0.32 1.03 -0.71 -0.67 112.91 114.32 1cyl h THR 44 Ca 0.04 -0.40 -0.14 0.00 -0.01 0.00 0.00 66.41 65.90 1cyl h THR 44 Cb 0.89 1.22 -0.01 0.00 -1.07 0.00 0.00 68.15 69.18 1cyl h THR 44 CO 0.08 0.11 -0.57 -0.26 -0.01 0.00 0.00 175.52 174.87 1cyl h PHE 45 N 0.00 0.33 0.04 0.00 0.04 -0.88 0.39 116.94 116.87 1cyl h PHE 45 Ca -0.00 -0.12 -0.00 0.00 2.80 0.00 0.00 57.97 60.65 1cyl h PHE 45 Cb 0.21 -0.06 0.00 0.00 2.20 0.00 0.00 35.95 38.30 1cyl h PHE 45 CO 0.00 0.77 -0.02 0.00 -0.60 0.00 0.00 178.31 178.46 1cyl h ARG 47 N -0.58 0.35 -0.13 0.00 1.12 -1.45 -2.94 114.38 110.74 1cyl h ARG 47 Ca -0.01 -0.22 -0.13 0.00 -1.11 0.00 0.00 59.98 58.52 1cyl h ARG 47 Cb 0.52 0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 30.49 1cyl h ARG 47 CO 0.01 0.81 -0.47 0.00 -3.11 0.00 0.00 179.97 177.21 1cyl h ALA 48 N 1.15 0.95 0.00 2.80 0.00 -0.93 -2.77 119.26 120.47 1cyl h ALA 48 Ca 0.00 -0.46 -0.11 0.00 0.00 0.00 0.00 54.91 54.35 1cyl h ALA 48 Cb 1.05 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1cyl h ALA 48 CO 0.09 0.65 -0.50 0.00 0.00 0.00 0.00 179.25 179.48 1cyl h ALA 49 N 1.24 1.15 -0.23 0.00 0.00 -1.11 -1.85 119.26 118.46 1cyl h ALA 49 Ca 0.02 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.44 1cyl h ALA 49 Cb 0.93 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1cyl h ALA 49 CO 0.08 0.63 0.03 1.15 0.00 0.00 0.00 179.25 181.13 1cyl h THR 50 N 0.00 1.24 0.00 0.00 2.02 -1.32 -1.24 112.91 113.61 1cyl h THR 50 Ca -0.01 -0.80 -0.00 0.00 0.77 0.00 0.00 66.41 66.37 1cyl h THR 50 Cb 0.90 1.31 0.00 0.00 -1.74 0.00 0.00 68.15 68.62 1cyl h THR 50 CO 0.07 0.25 -0.00 1.62 0.37 0.00 0.00 175.52 177.83 1cyl h VAL 51 N 0.19 1.42 -0.46 3.16 3.04 -1.46 -2.67 116.25 119.47 1cyl h VAL 51 Ca 0.07 -1.24 0.13 0.00 -1.01 0.00 0.00 66.70 64.65 1cyl h VAL 51 Cb 0.35 2.27 -0.02 0.00 -2.01 0.00 0.00 31.29 31.88 1cyl h VAL 51 CO 0.01 0.32 0.33 0.25 -1.01 0.00 0.00 177.57 177.47 1cyl h LEU 52 N -0.53 0.00 -0.23 3.16 6.46 -1.36 0.14 115.31 122.94 1cyl h LEU 52 Ca -0.00 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.74 1cyl h LEU 52 Cb 0.53 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.45 1cyl h LEU 52 CO 0.00 0.00 0.05 -0.09 -0.62 0.00 0.00 178.44 177.78 1cyl h ARG 53 N 0.00 0.37 0.00 1.25 1.12 -1.00 -2.45 114.38 113.67 1cyl h ARG 53 Ca 0.22 -0.09 -0.05 0.00 -1.11 0.00 0.00 59.98 58.94 1cyl h ARG 53 Cb 0.88 -0.05 -0.01 0.00 -0.01 0.00 0.00 29.97 30.79 1cyl h ARG 53 CO -0.00 0.48 -0.26 -0.56 -3.11 0.00 0.00 179.97 176.52 1cyl h GLN 54 N 0.19 0.00 0.21 0.20 -0.00 -0.47 -1.60 115.11 113.64 1cyl h GLN 54 Ca 0.07 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.71 1cyl h GLN 54 Cb 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.77 1cyl h GLN 54 CO 0.00 0.26 -0.10 0.35 -0.00 0.00 0.00 178.83 179.34 1cyl h PHE 55 N 0.00 -0.26 -0.07 0.06 3.57 -0.69 -0.57 116.94 118.98 1cyl h PHE 55 Ca -0.00 -0.01 -0.15 0.00 3.53 0.00 0.00 57.97 61.34 1cyl h PHE 55 Cb 0.54 0.09 0.01 0.00 2.79 0.00 0.00 35.95 39.38 1cyl h PHE 55 CO 0.00 0.11 -0.56 0.10 -2.23 0.00 0.00 178.31 175.73 1cyl h TYR 56 N -0.68 0.70 -0.13 0.41 -0.00 -1.44 -3.18 116.97 112.65 1cyl h TYR 56 Ca -0.03 -0.33 -0.17 0.00 0.00 0.00 0.00 58.73 58.20 1cyl h TYR 56 Cb 0.48 -0.10 -0.01 0.00 0.00 0.00 0.00 36.73 37.10 1cyl h TYR 56 CO 0.04 1.12 -0.63 0.66 -0.00 0.00 0.00 178.16 179.35 1cyl h SER 57 N 0.08 0.54 0.02 0.10 4.64 -1.39 -2.47 113.55 115.07 1cyl h SER 57 Ca -0.05 -0.32 -0.00 0.00 -0.47 0.00 0.00 61.79 60.95 1cyl h SER 57 Cb 1.22 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 1cyl h SER 57 CO 0.11 1.04 -0.01 -0.74 -0.87 0.00 0.00 176.83 176.36 1cyl h HIS 58 N 0.35 -0.03 0.13 4.77 2.76 -1.21 -3.34 115.15 118.57 1cyl h HIS 58 Ca -0.01 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.15 1cyl h HIS 58 Cb 1.19 0.01 0.00 0.00 1.55 0.00 0.00 27.41 30.16 1cyl h HIS 58 CO 0.04 0.47 -0.06 0.45 -1.30 0.00 0.00 177.93 177.53 1cyl h HIS 59 N -0.54 -0.16 -2.79 5.26 3.86 -1.67 -3.44 115.15 115.67 1cyl h HIS 59 Ca -0.00 -0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 1cyl h HIS 59 Cb 0.51 0.05 -0.00 0.00 1.06 0.00 0.00 27.41 29.03 1cyl h HIS 59 CO 0.10 0.30 -0.01 0.39 0.86 0.00 0.00 177.93 179.57 1cyl n GLU 60 N -4.93 -1.00 0.00 2.45 1.02 -0.93 -2.91 120.64 114.34 1cyl n GLU 60 Ca -0.08 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.06 1cyl n GLU 60 Cb 0.27 -0.05 0.00 0.00 -0.02 0.00 0.00 31.44 31.64 1cyl n GLU 60 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1cyl n LYS 61 N -0.47 0.00 -3.49 3.49 2.85 -1.26 -5.04 118.16 114.23 1cyl n LYS 61 Ca 0.00 0.00 -0.18 0.00 -1.05 0.00 0.00 58.31 57.08 1cyl n LYS 61 Cb 0.01 0.00 0.08 0.00 -0.65 0.00 0.00 35.03 34.46 1cyl n LYS 61 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1cyl n ASP 62 N 0.00 -1.87 0.19 -5.58 2.03 -1.15 -4.72 116.55 105.46 1cyl n ASP 62 Ca 0.00 -0.67 0.08 0.00 0.52 0.00 0.00 54.79 54.72 1cyl n ASP 62 Cb 0.00 -4.88 0.15 0.00 -0.72 0.00 0.00 41.12 35.68 1cyl n ASP 62 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1cyl h THR 63 N -1.90 0.01 -0.48 5.18 1.03 -1.92 -2.37 112.91 112.47 1cyl h THR 63 Ca -0.59 0.00 0.05 0.00 -0.01 0.00 0.00 66.41 65.85 1cyl h THR 63 Cb 1.34 0.04 -0.06 0.00 -1.07 0.00 0.00 68.15 68.40 1cyl h THR 63 CO 0.52 0.00 -0.34 -0.09 -0.01 0.00 0.00 175.52 175.59 1cyl h ARG 64 N 0.00 -0.08 0.00 0.00 2.43 -2.02 0.55 114.38 115.26 1cyl h ARG 64 Ca 0.12 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1cyl h ARG 64 Cb 2.15 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 31.72 1cyl h ARG 64 CO -0.00 -0.05 0.00 0.00 -1.51 0.00 0.00 179.97 178.41 1cyl s LEU 66 N -4.15 1.03 0.00 0.00 1.02 0.19 -4.86 118.68 111.91 1cyl s LEU 66 Ca 0.08 -0.39 0.00 0.00 0.02 0.00 0.00 54.13 53.83 1cyl s LEU 66 Cb 0.11 -0.64 0.00 0.00 0.02 0.00 0.00 46.19 45.68 1cyl s LEU 66 CO 0.46 -0.20 0.00 0.61 0.02 0.00 0.00 176.35 177.24 1cyl n GLY 67 N 5.03 1.21 0.58 -3.19 0.00 -1.19 -4.03 105.19 103.60 1cyl n GLY 67 Ca -0.09 -0.09 0.36 0.00 0.00 0.00 0.00 46.02 46.20 1cyl n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cyl h ALA 68 N 0.00 3.20 -3.46 4.61 0.00 -1.88 -3.37 119.26 118.36 1cyl h ALA 68 Ca 0.00 -0.05 -0.22 0.00 0.00 0.00 0.00 54.91 54.65 1cyl h ALA 68 Cb 0.00 0.10 -0.28 0.00 0.00 0.00 0.00 17.79 17.60 1cyl h ALA 68 CO 0.00 -1.85 -0.61 0.99 0.00 0.00 0.00 179.25 177.78 1cyl s THR 69 N -4.63 -0.01 0.57 0.00 2.01 -1.26 -4.99 115.64 107.33 1cyl s THR 69 Ca -0.04 0.04 0.31 0.00 0.31 0.00 0.00 61.69 62.32 1cyl s THR 69 Cb 0.19 -0.16 0.45 0.00 0.01 0.00 0.00 72.50 72.99 1cyl s THR 69 CO 0.64 0.02 1.78 0.00 -0.69 0.00 0.00 174.62 176.37 1cyl h ALA 70 N 6.28 2.65 -0.20 7.40 0.00 -2.00 0.49 119.26 133.90 1cyl h ALA 70 Ca -0.29 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.64 1cyl h ALA 70 Cb 1.19 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.99 1cyl h ALA 70 CO 0.45 -1.14 -0.09 0.37 0.00 0.00 0.00 179.25 178.83 1cyl h GLN 71 N 0.00 -0.07 -0.99 0.00 5.75 -1.94 0.19 115.11 118.05 1cyl h GLN 71 Ca 0.38 0.00 0.24 0.00 -0.15 0.00 0.00 58.65 59.13 1cyl h GLN 71 Cb 1.83 0.02 -0.08 0.00 1.07 0.00 0.00 27.48 30.31 1cyl h GLN 71 CO -0.00 -0.04 0.65 1.96 -2.65 0.00 0.00 178.83 178.74 1cyl h GLN 72 N -0.07 0.37 -0.03 1.69 1.08 -0.35 -0.39 115.11 117.42 1cyl h GLN 72 Ca 0.11 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.27 1cyl h GLN 72 Cb 0.23 -0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 27.57 1cyl h GLN 72 CO -0.24 0.25 -0.04 0.35 -0.95 0.00 0.00 178.83 178.20 1cyl h PHE 73 N 0.39 0.09 0.04 2.96 3.57 -0.62 -3.09 116.94 120.27 1cyl h PHE 73 Ca 0.54 -0.03 -0.00 0.00 3.53 0.00 0.00 57.97 62.01 1cyl h PHE 73 Cb 1.40 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 40.12 1cyl h PHE 73 CO -0.00 0.60 -0.02 1.25 -2.23 0.00 0.00 178.31 177.91 1cyl h HIS 74 N -0.44 -0.05 -0.83 0.41 2.76 -0.34 -3.02 115.15 113.64 1cyl h HIS 74 Ca 0.00 -0.00 0.18 0.00 -2.20 0.00 0.00 60.37 58.35 1cyl h HIS 74 Cb 0.59 0.02 -0.11 0.00 1.55 0.00 0.00 27.41 29.45 1cyl h HIS 74 CO 0.11 0.49 0.35 0.00 -1.30 0.00 0.00 177.93 177.57 1cyl h ARG 75 N -0.61 0.42 0.00 5.26 2.47 -1.25 0.28 114.38 120.95 1cyl h ARG 75 Ca -0.01 -0.03 -0.10 0.00 -1.26 0.00 0.00 59.98 58.59 1cyl h ARG 75 Cb 0.55 -0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 28.76 1cyl h ARG 75 CO 0.01 0.28 -0.48 1.12 0.56 0.00 0.00 179.97 181.46 1cyl h HIS 76 N 0.44 0.00 -0.17 3.04 2.07 -1.59 -2.11 115.15 116.83 1cyl h HIS 76 Ca 0.48 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.97 1cyl h HIS 76 Cb 0.82 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.79 1cyl h HIS 76 CO -0.15 0.48 -0.03 0.87 -3.07 0.00 0.00 177.93 176.03 1cyl h LYS 77 N 0.00 0.32 -0.27 5.12 1.57 -0.35 -0.72 116.57 122.23 1cyl h LYS 77 Ca -0.00 -0.12 -0.14 0.00 -1.87 0.00 0.00 60.65 58.51 1cyl h LYS 77 Cb 0.88 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.17 1cyl h LYS 77 CO 0.06 0.58 -0.38 0.37 -0.57 0.00 0.00 179.45 179.51 1cyl h GLN 78 N 0.04 0.75 -0.08 3.15 -0.00 -1.21 -0.99 115.11 116.76 1cyl h GLN 78 Ca 0.04 -0.44 -0.04 0.00 -0.00 0.00 0.00 58.65 58.22 1cyl h GLN 78 Cb 0.46 0.04 -0.00 0.00 0.00 0.00 0.00 27.48 27.97 1cyl h GLN 78 CO 0.02 1.06 -0.10 -0.07 0.00 0.00 0.00 178.83 179.74 1cyl h LEU 79 N 0.49 0.23 -1.60 -2.39 3.38 -1.42 -1.68 115.31 112.32 1cyl h LEU 79 Ca 0.03 -0.51 -0.04 0.00 0.09 0.00 0.00 57.88 57.45 1cyl h LEU 79 Cb 0.98 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 1cyl h LEU 79 CO 0.09 0.69 -0.18 0.40 0.09 0.00 0.00 178.44 179.53 1cyl h ILE 80 N -0.23 1.14 0.05 1.22 2.04 -1.19 0.68 117.51 121.21 1cyl h ILE 80 Ca 0.01 -0.66 -0.00 0.00 1.00 0.00 0.00 64.86 65.21 1cyl h ILE 80 Cb 0.63 1.33 0.00 0.00 -0.74 0.00 0.00 36.82 38.04 1cyl h ILE 80 CO 0.02 0.19 -0.02 -0.09 0.00 0.00 0.00 178.15 178.25 1cyl h ARG 81 N 0.03 -0.06 0.00 2.37 2.43 -0.96 0.11 114.38 118.29 1cyl h ARG 81 Ca 0.00 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.14 1cyl h ARG 81 Cb 0.33 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 1cyl h ARG 81 CO 0.02 0.22 -0.21 0.74 -1.51 0.00 0.00 179.97 179.24 1cyl h PHE 82 N -0.35 0.00 -0.09 2.20 -1.00 -0.84 -0.05 116.94 116.81 1cyl h PHE 82 Ca -0.01 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.72 1cyl h PHE 82 Cb 0.32 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.87 1cyl h PHE 82 CO 0.02 0.21 -0.18 -0.07 -1.61 0.00 0.00 178.31 176.68 1cyl h LEU 83 N 0.00 0.14 -0.03 1.54 3.38 0.14 -1.61 115.31 118.87 1cyl h LEU 83 Ca -0.00 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1cyl h LEU 83 Cb 0.42 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 1cyl h LEU 83 CO 0.03 0.34 -0.05 0.50 0.09 0.00 0.00 178.44 179.35 1cyl h LYS 84 N 0.14 0.09 -0.75 1.13 3.64 0.11 -1.46 116.57 119.47 1cyl h LYS 84 Ca 0.03 -0.05 0.14 0.00 -1.27 0.00 0.00 60.65 59.50 1cyl h LYS 84 Cb 0.40 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.18 1cyl h LYS 84 CO 0.03 0.60 0.50 0.00 -2.27 0.00 0.00 179.45 178.30 1cyl h ARG 85 N -0.41 0.42 -0.18 1.90 3.08 -1.02 0.29 114.38 118.47 1cyl h ARG 85 Ca 0.00 -0.03 -0.14 0.00 0.07 0.00 0.00 59.98 59.89 1cyl h ARG 85 Cb 0.59 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.53 1cyl h ARG 85 CO 0.01 0.28 -0.47 1.25 -1.07 0.00 0.00 179.97 179.97 1cyl h LEU 86 N 0.44 0.48 -0.11 3.04 5.85 -1.04 -1.53 115.31 122.44 1cyl h LEU 86 Ca 0.37 -0.23 -0.05 0.00 0.84 0.00 0.00 57.88 58.81 1cyl h LEU 86 Cb 0.81 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.71 1cyl h LEU 86 CO -0.12 0.88 -0.14 -0.78 -0.34 0.00 0.00 178.44 177.94 1cyl h ASP 87 N 0.36 0.31 -0.25 1.25 3.58 0.64 -0.60 116.42 121.71 1cyl h ASP 87 Ca 0.02 -0.51 -0.11 0.00 0.42 0.00 0.00 57.03 56.85 1cyl h ASP 87 Cb 0.96 -0.09 -0.00 0.00 1.72 0.00 0.00 39.33 41.92 1cyl h ASP 87 CO 0.08 0.76 -0.28 -0.09 -2.88 0.00 0.00 179.24 176.83 1cyl h ARG 88 N -0.14 0.62 -0.26 0.28 9.65 -1.34 -3.23 114.38 119.97 1cyl h ARG 88 Ca 0.01 -0.34 -0.17 0.00 -1.10 0.00 0.00 59.98 58.38 1cyl h ARG 88 Cb 0.68 0.02 -0.00 0.00 -1.39 0.00 0.00 29.97 29.28 1cyl h ARG 88 CO 0.03 0.95 -0.51 -0.97 2.80 0.00 0.00 179.97 182.27 1cyl h ASN 89 N 0.34 0.81 -0.59 -3.80 -1.24 -1.35 -3.19 115.58 106.55 1cyl h ASN 89 Ca 0.03 -0.42 0.11 0.00 0.71 0.00 0.00 56.30 56.74 1cyl h ASN 89 Cb 0.85 -0.23 -0.09 0.00 0.73 0.00 0.00 38.32 39.58 1cyl h ASN 89 CO 0.07 1.17 0.11 -0.07 -1.29 0.00 0.00 177.43 177.42 1cyl h LEU 90 N 0.57 -0.02 -1.33 0.34 3.38 -1.12 0.25 115.31 117.38 1cyl h LEU 90 Ca 0.02 0.11 0.24 0.00 0.09 0.00 0.00 57.88 58.34 1cyl h LEU 90 Cb 1.08 0.16 -0.09 0.00 0.09 0.00 0.00 40.66 41.90 1cyl h LEU 90 CO 0.11 -0.00 0.64 -0.50 0.09 0.00 0.00 178.44 178.78 1cyl h TRP 91 N 0.24 0.71 -0.13 1.13 4.06 -1.57 0.18 115.95 120.57 1cyl h TRP 91 Ca 0.31 0.02 -0.07 0.00 2.06 0.00 0.00 58.89 61.22 1cyl h TRP 91 Cb 0.46 -0.21 -0.00 0.00 -1.00 0.00 0.00 29.16 28.41 1cyl h TRP 91 CO -0.26 0.11 -0.18 0.78 -3.56 0.00 0.00 178.44 175.33 1cyl h GLY 92 N 0.46 0.38 0.49 1.49 0.00 -0.65 -0.55 103.07 104.70 1cyl h GLY 92 Ca 0.57 -0.41 0.18 0.00 0.00 0.00 0.00 47.33 47.66 1cyl h GLY 92 CO -0.29 0.37 0.55 -2.00 0.00 0.00 0.00 176.54 175.18 1cyl h LEU 93 N -0.05 0.40 0.00 3.11 7.12 0.23 -3.21 115.31 122.90 1cyl h LEU 93 Ca 0.01 0.03 0.00 0.00 0.13 0.00 0.00 57.88 58.06 1cyl h LEU 93 Cb 0.73 -0.04 0.00 0.00 -0.53 0.00 0.00 40.66 40.82 1cyl h LEU 93 CO 0.04 0.18 -0.01 0.00 -0.13 0.00 0.00 178.44 178.52 1cyl h ALA 94 N 1.62 0.00 0.00 1.25 0.00 -1.11 -3.45 119.26 117.58 1cyl h ALA 94 Ca 0.42 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1cyl h ALA 94 Cb 1.02 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1cyl h ALA 94 CO -0.15 0.01 0.00 0.41 0.00 0.00 0.00 179.25 179.53 1cyl n GLY 95 N 1.81 0.83 3.76 0.00 0.00 -0.22 -4.89 105.19 106.47 1cyl n GLY 95 Ca -0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1cyl n GLY 95 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1cyl s LEU 96 N 0.00 3.30 -0.14 0.99 2.96 -1.26 -5.02 118.68 119.50 1cyl s LEU 96 Ca 0.00 -0.77 0.22 0.00 -0.22 0.00 0.00 54.13 53.35 1cyl s LEU 96 Cb 0.00 -1.79 0.46 0.00 0.50 0.00 0.00 46.19 45.36 1cyl s LEU 96 CO 0.00 -0.37 1.15 0.59 -1.32 0.00 0.00 176.35 176.41 1cyl n ASN 97 N -1.23 1.61 -2.96 3.68 3.02 -1.26 -4.86 115.26 113.27 1cyl n ASN 97 Ca -0.02 -2.35 -0.15 0.00 -0.03 0.00 0.00 54.58 52.03 1cyl n ASN 97 Cb 0.62 -0.39 -0.00 0.00 -0.61 0.00 0.00 39.78 39.39 1cyl n ASN 97 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1cyl n SER 98 N -0.17 -1.38 -3.22 6.41 2.88 -1.26 -5.02 113.62 111.86 1cyl n SER 98 Ca 0.11 -3.06 -0.26 0.00 -1.33 0.00 0.00 58.87 54.32 1cyl n SER 98 Cb 0.96 0.68 -0.06 0.00 -0.75 0.00 0.00 64.21 65.04 1cyl n SER 98 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1cyl s PRO 100 N -2.67 3.35 0.00 0.00 0.04 -1.26 -4.48 135.00 129.98 1cyl s PRO 100 Ca 0.42 1.13 0.00 0.00 0.04 0.00 0.00 61.00 62.60 1cyl s PRO 100 Cb 0.21 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.71 1cyl s PRO 100 CO -0.07 -0.78 0.00 1.55 0.04 0.00 0.00 177.00 177.74 1cyl n VAL 101 N -2.13 0.00 -1.61 -0.36 3.14 -1.26 -5.10 118.33 111.01 1cyl n VAL 101 Ca 0.08 0.00 -0.01 0.00 -2.96 0.00 0.00 64.34 61.46 1cyl n VAL 101 Cb 0.53 -0.02 0.00 0.00 -1.06 0.00 0.00 33.84 33.29 1cyl n VAL 101 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 1cyl n LYS 102 N -1.70 -0.20 -3.23 1.45 5.02 -1.26 -4.97 118.16 113.27 1cyl n LYS 102 Ca 0.00 0.63 -0.46 0.00 -2.02 0.00 0.00 58.31 56.46 1cyl n LYS 102 Cb 0.00 -1.85 -0.02 0.00 -0.02 0.00 0.00 35.03 33.14 1cyl n LYS 102 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1cyl s GLU 103 N -1.17 3.58 0.39 1.97 2.56 -1.26 -4.88 118.70 119.89 1cyl s GLU 103 Ca 0.02 -2.26 0.18 0.00 0.00 0.00 0.00 54.97 52.91 1cyl s GLU 103 Cb -0.01 -4.54 1.09 0.00 2.00 0.00 0.00 34.13 32.67 1cyl s GLU 103 CO 0.06 -1.42 1.75 0.00 -0.56 0.00 0.00 175.26 175.10 1cyl h ALA 104 N 8.09 2.19 -1.30 6.30 0.00 -1.95 -3.42 119.26 129.16 1cyl h ALA 104 Ca 0.10 0.08 -0.47 0.00 0.00 0.00 0.00 54.91 54.62 1cyl h ALA 104 Cb 1.04 0.05 0.25 0.00 0.00 0.00 0.00 17.79 19.12 1cyl h ALA 104 CO 0.85 -0.63 -2.03 0.09 0.00 0.00 0.00 179.25 177.53 1cyl n ASN 105 N -4.69 -2.74 -3.84 0.00 5.03 -1.26 -4.97 115.26 102.79 1cyl n ASN 105 Ca 0.27 -0.06 -0.12 0.00 0.87 0.00 0.00 54.58 55.54 1cyl n ASN 105 Cb 0.90 -0.70 -0.11 0.00 -1.02 0.00 0.00 39.78 38.85 1cyl n ASN 105 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 1cyl s GLN 106 N -2.63 0.31 0.18 3.52 -0.21 -1.26 -4.12 119.66 115.46 1cyl s GLN 106 Ca 0.45 -0.04 0.03 0.00 0.02 0.00 0.00 55.36 55.81 1cyl s GLN 106 Cb 0.01 0.14 -0.01 0.00 1.00 0.00 0.00 33.01 34.15 1cyl s GLN 106 CO 0.66 -0.06 0.09 0.45 -2.12 0.00 0.00 175.29 174.31 1cyl n SER 107 N 2.35 0.58 -4.51 5.90 2.88 -0.89 -4.77 113.62 115.15 1cyl n SER 107 Ca -0.17 -2.04 -0.31 0.00 -1.33 0.00 0.00 58.87 55.02 1cyl n SER 107 Cb 0.57 0.60 -0.12 0.00 -0.75 0.00 0.00 64.21 64.52 1cyl n SER 107 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1cyl s THR 108 N -2.41 3.12 0.31 2.46 -4.23 -1.26 -1.21 115.64 112.43 1cyl s THR 108 Ca 0.13 -1.03 0.08 0.00 -1.18 0.00 0.00 61.69 59.69 1cyl s THR 108 Cb 0.01 -2.33 0.31 0.00 1.34 0.00 0.00 72.50 71.82 1cyl s THR 108 CO 0.09 0.36 1.75 0.25 -0.54 0.00 0.00 174.62 176.53 1cyl h LEU 109 N 4.53 0.71 -0.58 4.79 7.12 -0.94 0.29 115.31 131.23 1cyl h LEU 109 Ca -0.48 0.12 0.12 0.00 0.13 0.00 0.00 57.88 57.77 1cyl h LEU 109 Cb 1.16 0.00 -0.11 0.00 -0.53 0.00 0.00 40.66 41.19 1cyl h LEU 109 CO 0.50 0.17 -0.09 -0.08 -0.13 0.00 0.00 178.44 178.82 1cyl h GLU 110 N 0.65 0.04 0.00 1.25 4.22 -1.82 0.25 114.58 119.17 1cyl h GLU 110 Ca 0.62 -0.00 -0.11 0.00 0.08 0.00 0.00 59.36 59.95 1cyl h GLU 110 Cb 1.09 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.31 1cyl h GLU 110 CO -0.44 0.03 -0.51 -0.97 -2.18 0.00 0.00 179.01 174.94 1cyl h ASN 111 N 0.04 0.00 -0.35 1.04 -1.24 -0.83 -2.42 115.58 111.83 1cyl h ASN 111 Ca 0.29 0.00 -0.12 0.00 0.71 0.00 0.00 56.30 57.18 1cyl h ASN 111 Cb 0.46 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.49 1cyl h ASN 111 CO -0.56 0.51 -0.22 0.15 -1.29 0.00 0.00 177.43 176.02 1cyl h PHE 112 N 0.00 0.97 -0.11 0.67 3.04 0.64 0.17 116.94 122.31 1cyl h PHE 112 Ca -0.01 -0.23 -0.15 0.00 3.98 0.00 0.00 57.97 61.57 1cyl h PHE 112 Cb 0.95 -0.23 -0.01 0.00 2.56 0.00 0.00 35.95 39.22 1cyl h PHE 112 CO 0.00 0.99 -0.59 -0.07 -2.02 0.00 0.00 178.31 176.62 1cyl h LEU 113 N 0.74 0.41 0.02 0.59 3.38 -0.88 0.17 115.31 119.73 1cyl h LEU 113 Ca 0.10 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 1cyl h LEU 113 Cb 0.76 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1cyl h LEU 113 CO 0.06 0.90 -0.01 -0.08 0.09 0.00 0.00 178.44 179.40 1cyl h GLU 114 N 0.27 -0.03 0.14 1.13 4.22 -1.12 -2.50 114.58 116.69 1cyl h GLU 114 Ca -0.00 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.43 1cyl h GLU 114 Cb 1.11 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1cyl h GLU 114 CO 0.10 0.51 -0.07 -0.09 -2.18 0.00 0.00 179.01 177.29 1cyl h ARG 115 N -0.59 -0.18 -1.01 1.92 9.65 -0.69 -1.69 114.38 121.80 1cyl h ARG 115 Ca -0.00 0.01 0.21 0.00 -1.10 0.00 0.00 59.98 59.10 1cyl h ARG 115 Cb 0.56 0.04 -0.11 0.00 -1.39 0.00 0.00 29.97 29.06 1cyl h ARG 115 CO 0.01 0.03 0.61 1.25 2.80 0.00 0.00 179.97 184.66 1cyl h LEU 116 N -0.36 0.76 -0.37 3.80 5.85 -0.75 0.31 115.31 124.56 1cyl h LEU 116 Ca -0.02 0.11 -0.17 0.00 0.84 0.00 0.00 57.88 58.64 1cyl h LEU 116 Cb 0.28 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.29 1cyl h LEU 116 CO 0.03 0.23 -0.42 0.11 -0.34 0.00 0.00 178.44 178.04 1cyl h LYS 117 N 0.71 0.93 -0.21 1.25 1.57 -1.00 -3.08 116.57 116.74 1cyl h LYS 117 Ca 0.60 -0.51 -0.03 0.00 -1.87 0.00 0.00 60.65 58.84 1cyl h LYS 117 Cb 0.99 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.32 1cyl h LYS 117 CO -0.41 1.16 0.01 0.00 -0.57 0.00 0.00 179.45 179.64 1cyl h THR 118 N 0.74 1.13 -0.26 -0.16 1.03 -0.04 -1.55 112.91 113.81 1cyl h THR 118 Ca 0.05 -0.50 -0.11 0.00 -0.01 0.00 0.00 66.41 65.84 1cyl h THR 118 Cb 1.02 0.97 -0.00 0.00 -1.07 0.00 0.00 68.15 69.07 1cyl h THR 118 CO 0.10 0.17 -0.28 0.40 -0.01 0.00 0.00 175.52 175.89 1cyl h ILE 119 N 0.29 1.31 -0.12 0.00 5.03 -1.27 -2.58 117.51 120.18 1cyl h ILE 119 Ca 0.07 -1.46 -0.13 0.00 -0.12 0.00 0.00 64.86 63.22 1cyl h ILE 119 Cb 0.19 1.66 -0.01 0.00 -3.03 0.00 0.00 36.82 35.63 1cyl h ILE 119 CO 0.00 0.46 -0.49 0.24 -0.68 0.00 0.00 178.15 177.68 1cyl h MET 120 N 0.37 0.31 -0.47 2.37 2.86 -1.41 -1.06 114.93 117.89 1cyl h MET 120 Ca 0.04 -0.18 -0.07 0.00 -2.06 0.00 0.00 59.70 57.43 1cyl h MET 120 Cb 0.85 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.51 1cyl h MET 120 CO 0.07 0.74 0.03 0.00 1.06 0.00 0.00 176.91 178.81 1cyl h ARG 121 N 0.25 0.81 -0.28 1.72 2.47 -1.25 0.13 114.38 118.23 1cyl h ARG 121 Ca 0.01 -0.24 -0.16 0.00 -1.26 0.00 0.00 59.98 58.32 1cyl h ARG 121 Cb 0.96 -0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 29.19 1cyl h ARG 121 CO 0.08 0.85 -0.48 0.93 0.56 0.00 0.00 179.97 181.91 1cyl h GLU 122 N 0.67 0.75 0.00 0.04 5.08 -1.33 -2.61 114.58 117.18 1cyl h GLU 122 Ca 0.14 -0.44 -0.11 0.00 -1.00 0.00 0.00 59.36 57.95 1cyl h GLU 122 Cb 0.46 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 1cyl h GLU 122 CO 0.02 1.06 -0.51 0.87 -1.00 0.00 0.00 179.01 179.45 1cyl h LYS 123 N 0.60 0.00 0.00 2.33 1.79 -1.00 -2.74 116.57 117.54 1cyl h LYS 123 Ca 0.03 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.40 1cyl h LYS 123 Cb 1.05 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.68 1cyl h LYS 123 CO 0.10 0.51 -0.47 -0.92 -1.08 0.00 0.00 179.45 177.60 1cyl h TYR 124 N 0.00 0.00 -0.04 -1.35 3.20 -0.54 -1.93 116.97 116.31 1cyl h TYR 124 Ca -0.01 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.86 1cyl h TYR 124 Cb 0.93 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.20 1cyl h TYR 124 CO 0.00 0.47 0.00 0.45 -1.64 0.00 0.00 178.16 177.44 1cyl n SER 125 N -3.87 0.28 0.00 -2.11 2.88 -1.00 -3.69 113.62 106.11 1cyl n SER 125 Ca -0.01 -2.00 0.00 0.00 -1.33 0.00 0.00 58.87 55.52 1cyl n SER 125 Cb 0.50 -0.06 0.00 0.00 -0.75 0.00 0.00 64.21 63.91 1cyl n SER 125 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1cyl n LYS 126 N -0.35 0.00 -2.53 -1.46 4.81 -0.92 -4.98 118.16 112.73 1cyl n LYS 126 Ca 0.01 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.34 1cyl n LYS 126 Cb 0.05 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.08 1cyl n LYS 126 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1cyl s SER 128 N -1.81 0.37 0.00 0.00 1.04 -1.26 -4.80 113.70 107.24 1cyl s SER 128 Ca 0.23 0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.77 1cyl s SER 128 Cb -0.14 -0.02 0.00 0.00 0.10 0.00 0.00 66.02 65.96 1cyl s SER 128 CO 0.28 -0.17 0.33 -0.24 0.98 0.00 0.00 173.24 174.42