#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 -2.70 -4.32 -0.41 4.01 -1.26 -4.91 118.16 108.57 1cyl n LYS 2 Ca 0.00 2.18 -0.31 0.00 -0.51 0.00 0.00 58.31 59.67 1cyl n LYS 2 Cb 0.00 -3.16 -0.10 0.00 -0.51 0.00 0.00 35.03 31.26 1cyl n LYS 2 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1cyl s ASP 4 N -1.91 3.92 0.31 0.00 2.15 -1.26 -5.03 116.67 114.86 1cyl s ASP 4 Ca 0.20 -1.05 0.12 0.00 0.43 0.00 0.00 52.55 52.25 1cyl s ASP 4 Cb -0.11 -0.44 0.50 0.00 -0.30 0.00 0.00 42.92 42.57 1cyl s ASP 4 CO 0.12 -0.15 1.69 0.40 -0.17 0.00 0.00 175.17 177.06 1cyl h ILE 5 N 1.99 1.33 -0.17 4.11 1.08 -2.00 -3.22 117.51 120.64 1cyl h ILE 5 Ca -0.42 -1.80 0.04 0.00 -0.39 0.00 0.00 64.86 62.29 1cyl h ILE 5 Cb 1.25 1.98 -0.04 0.00 -3.07 0.00 0.00 36.82 36.94 1cyl h ILE 5 CO 0.66 0.51 -0.09 0.74 -0.69 0.00 0.00 178.15 179.28 1cyl h THR 6 N 0.00 0.71 0.07 -0.27 2.02 -1.95 -1.16 112.91 112.33 1cyl h THR 6 Ca -0.01 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.17 1cyl h THR 6 Cb 0.94 0.71 0.00 0.00 -1.74 0.00 0.00 68.15 68.06 1cyl h THR 6 CO 0.07 0.00 -0.03 0.17 0.37 0.00 0.00 175.52 176.09 1cyl h LEU 7 N -0.08 -0.08 -1.96 2.58 -0.00 -1.91 -1.34 115.31 112.51 1cyl h LEU 7 Ca 0.10 -0.17 0.29 0.00 -0.00 0.00 0.00 57.88 58.10 1cyl h LEU 7 Cb 0.23 0.02 -0.04 0.00 -0.00 0.00 0.00 40.66 40.86 1cyl h LEU 7 CO -0.22 0.12 0.73 1.56 -0.00 0.00 0.00 178.44 180.63 1cyl h GLN 8 N -0.28 0.03 -0.04 0.17 4.20 -1.52 0.18 115.11 117.85 1cyl h GLN 8 Ca -0.01 -0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.68 1cyl h GLN 8 Cb 0.25 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.02 1cyl h GLN 8 CO 0.02 0.02 -0.07 0.93 -0.67 0.00 0.00 178.83 179.05 1cyl h GLU 9 N 0.03 0.11 0.00 1.46 5.08 -0.23 -3.02 114.58 118.01 1cyl h GLU 9 Ca 0.49 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.73 1cyl h GLU 9 Cb 1.91 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 31.16 1cyl h GLU 9 CO -0.02 0.65 -0.23 0.82 -1.00 0.00 0.00 179.01 179.23 1cyl h ILE 10 N -0.41 1.11 0.00 3.13 5.03 0.34 -1.85 117.51 124.87 1cyl h ILE 10 Ca 0.00 -0.80 -0.11 0.00 -0.12 0.00 0.00 64.86 63.84 1cyl h ILE 10 Cb 0.64 1.44 -0.02 0.00 -3.03 0.00 0.00 36.82 35.85 1cyl h ILE 10 CO 0.02 0.22 -0.50 0.40 -0.68 0.00 0.00 178.15 177.61 1cyl h ILE 11 N 0.00 1.28 0.01 -0.67 2.04 -1.21 0.94 117.51 119.89 1cyl h ILE 11 Ca -0.00 -1.77 -0.00 0.00 1.00 0.00 0.00 64.86 64.09 1cyl h ILE 11 Cb 0.42 1.97 0.00 0.00 -0.74 0.00 0.00 36.82 38.47 1cyl h ILE 11 CO 0.03 0.49 -0.01 0.50 0.00 0.00 0.00 178.15 179.17 1cyl h LYS 12 N 0.00 -0.01 -0.24 2.37 3.64 -1.21 0.21 116.57 121.33 1cyl h LYS 12 Ca -0.01 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.24 1cyl h LYS 12 Cb 0.93 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.76 1cyl h LYS 12 CO 0.07 0.45 -0.39 1.15 -2.27 0.00 0.00 179.45 178.46 1cyl h THR 13 N -0.48 1.31 0.00 1.00 2.02 -1.46 -2.53 112.91 112.77 1cyl h THR 13 Ca -0.00 -1.59 -0.06 0.00 0.77 0.00 0.00 66.41 65.53 1cyl h THR 13 Cb 0.47 1.73 -0.01 0.00 -1.74 0.00 0.00 68.15 68.60 1cyl h THR 13 CO 0.00 0.50 -0.30 0.25 0.37 0.00 0.00 175.52 176.34 1cyl h LEU 14 N 0.42 0.00 -0.05 2.58 5.85 -0.86 -2.94 115.31 120.31 1cyl h LEU 14 Ca 0.02 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 1cyl h LEU 14 Cb 0.98 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.01 1cyl h LEU 14 CO 0.09 0.30 -0.09 0.78 -0.34 0.00 0.00 178.44 179.18 1cyl h ASN 15 N 0.00 0.17 0.02 1.25 4.21 -0.40 -3.07 115.58 117.75 1cyl h ASN 15 Ca -0.00 -0.55 -0.00 0.00 1.21 0.00 0.00 56.30 56.96 1cyl h ASN 15 Cb 0.56 -0.05 0.00 0.00 -1.12 0.00 0.00 38.32 37.71 1cyl h ASN 15 CO 0.04 0.68 -0.01 -1.28 -1.29 0.00 0.00 177.43 175.58 1cyl h SER 16 N -0.34 -0.02 -0.97 5.81 0.87 -1.33 -1.58 113.55 115.98 1cyl h SER 16 Ca 0.00 -0.02 0.16 0.00 -1.23 0.00 0.00 61.79 60.70 1cyl h SER 16 Cb 0.65 0.00 -0.10 0.00 -0.44 0.00 0.00 62.40 62.52 1cyl h SER 16 CO 0.02 0.01 0.58 -0.07 -0.53 0.00 0.00 176.83 176.84 1cyl h LEU 17 N -0.04 0.78 -0.07 2.23 3.38 -1.61 -1.96 115.31 118.01 1cyl h LEU 17 Ca -0.00 0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1cyl h LEU 17 Cb 0.04 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 1cyl h LEU 17 CO 0.00 0.34 -0.09 0.74 0.09 0.00 0.00 178.44 179.52 1cyl h THR 18 N 0.81 1.38 -0.97 0.22 2.02 -1.38 -2.80 112.91 112.19 1cyl h THR 18 Ca 0.53 -1.27 0.28 0.00 0.77 0.00 0.00 66.41 66.72 1cyl h THR 18 Cb 0.72 2.06 -0.04 0.00 -1.74 0.00 0.00 68.15 69.14 1cyl h THR 18 CO -0.34 0.35 0.72 -0.08 0.37 0.00 0.00 175.52 176.55 1cyl h GLU 19 N -0.25 0.00 -2.19 6.66 4.81 -0.58 -3.36 114.58 119.67 1cyl h GLU 19 Ca 0.01 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.15 1cyl h GLU 19 Cb 0.61 0.00 -0.27 0.00 0.63 0.00 0.00 28.75 29.72 1cyl h GLU 19 CO 0.02 0.00 -0.39 1.14 -0.73 0.00 0.00 179.01 179.05 1cyl s GLN 20 N -4.91 0.36 -0.28 1.92 -2.07 -0.84 -5.04 119.66 108.79 1cyl s GLN 20 Ca -0.05 0.89 0.21 0.00 -1.82 0.00 0.00 55.36 54.59 1cyl s GLN 20 Cb 0.21 0.10 0.49 0.00 -1.09 0.00 0.00 33.01 32.73 1cyl s GLN 20 CO 0.76 -0.40 1.07 1.17 -1.32 0.00 0.00 175.29 176.56 1cyl n LYS 21 N 5.39 1.55 -0.17 9.60 4.81 -1.12 -4.44 118.16 133.77 1cyl n LYS 21 Ca -0.07 -3.42 0.08 0.00 -0.87 0.00 0.00 58.31 54.04 1cyl n LYS 21 Cb 0.50 -1.49 0.23 0.00 0.02 0.00 0.00 35.03 34.29 1cyl n LYS 21 CO 0.00 0.00 0.00 -2.37 1.17 0.00 0.00 177.40 176.20 1cyl n THR 22 N -0.45 0.45 0.00 3.15 5.66 -1.26 -4.56 114.28 117.27 1cyl n THR 22 Ca 0.07 -0.50 0.00 0.00 -3.05 0.00 0.00 64.05 60.58 1cyl n THR 22 Cb 0.81 0.32 0.00 0.00 -1.55 0.00 0.00 70.33 69.91 1cyl n THR 22 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1cyl n LEU 23 N 0.62 1.84 0.00 1.09 7.99 -1.26 -5.00 117.00 122.28 1cyl n LEU 23 Ca 0.14 0.04 0.00 0.00 -0.01 0.00 0.00 56.01 56.18 1cyl n LEU 23 Cb 0.35 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.66 1cyl n LEU 23 CO 0.10 0.00 0.00 0.00 -1.51 0.00 0.00 177.39 175.98 1cyl n THR 25 N -0.15 0.00 -1.57 0.00 5.66 -1.26 -4.54 114.28 112.42 1cyl n THR 25 Ca 0.00 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 60.92 1cyl n THR 25 Cb 0.00 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 68.75 1cyl n THR 25 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1cyl n GLU 26 N 0.00 -1.54 -4.08 1.09 1.02 -1.26 -4.88 120.64 110.99 1cyl n GLU 26 Ca 0.00 0.44 -0.30 0.00 -0.02 0.00 0.00 57.16 57.28 1cyl n GLU 26 Cb 0.00 -4.70 -0.07 0.00 -0.02 0.00 0.00 31.44 26.65 1cyl n GLU 26 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1cyl s LEU 27 N -3.69 3.70 0.27 -4.62 1.43 -1.26 -4.71 118.68 109.79 1cyl s LEU 27 Ca 0.00 -0.07 -0.31 0.00 -1.03 0.00 0.00 54.13 52.72 1cyl s LEU 27 Cb 0.00 -2.39 -0.12 0.00 0.03 0.00 0.00 46.19 43.72 1cyl s LEU 27 CO 0.00 0.16 1.63 0.35 0.23 0.00 0.00 176.35 178.72 1cyl n THR 28 N 0.42 0.77 -4.51 5.49 -2.24 -1.26 -0.91 114.28 112.03 1cyl n THR 28 Ca -0.09 -0.19 -0.25 0.00 -2.27 0.00 0.00 64.05 61.25 1cyl n THR 28 Cb 0.52 -1.97 -0.09 0.00 -2.10 0.00 0.00 70.33 66.69 1cyl n THR 28 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1cyl s VAL 29 N 0.29 0.87 -0.30 2.28 1.01 -1.02 -4.81 120.40 118.71 1cyl s VAL 29 Ca 0.67 -2.00 -0.27 0.00 0.00 0.00 0.00 61.98 60.38 1cyl s VAL 29 Cb -0.50 -2.50 0.01 0.00 0.00 0.00 0.00 36.38 33.40 1cyl s VAL 29 CO 0.44 0.00 0.97 -0.89 0.00 0.00 0.00 175.10 175.62 1cyl s THR 30 N -3.21 4.64 -1.01 3.92 2.01 -1.26 -3.52 115.64 117.20 1cyl s THR 30 Ca 0.27 1.58 -0.24 0.00 0.31 0.00 0.00 61.69 63.61 1cyl s THR 30 Cb 0.05 -4.30 -0.09 0.00 0.01 0.00 0.00 72.50 68.16 1cyl s THR 30 CO 0.14 -0.35 2.02 -0.62 -0.69 0.00 0.00 174.62 175.11 1cyl s ASP 31 N 1.58 4.77 -0.20 3.53 -1.08 -1.26 -4.76 116.67 119.25 1cyl s ASP 31 Ca 0.41 -0.97 -0.00 0.00 -0.52 0.00 0.00 52.55 51.46 1cyl s ASP 31 Cb -0.13 -2.57 0.16 0.00 -1.46 0.00 0.00 42.92 38.91 1cyl s ASP 31 CO 0.13 -3.22 1.87 2.30 0.52 0.00 0.00 175.17 176.77 1cyl n ILE 32 N 8.08 2.36 -2.61 4.11 -6.64 -1.26 -4.03 119.36 119.38 1cyl n ILE 32 Ca 0.43 -1.14 -0.02 0.00 -1.77 0.00 0.00 62.75 60.25 1cyl n ILE 32 Cb 0.46 -1.28 0.05 0.00 -1.44 0.00 0.00 39.64 37.43 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 0.58 1.10 -1.41 4.28 3.72 -1.26 -4.87 117.46 119.59 1cyl n PHE 33 Ca 0.20 -1.75 -0.34 0.00 -0.05 0.00 0.00 57.45 55.51 1cyl n PHE 33 Cb 0.61 -0.23 0.06 0.00 -0.94 0.00 0.00 39.48 38.99 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 -0.39 6.27 -2.88 4.37 0.00 -1.26 -4.56 120.51 122.07 1cyl n ALA 34 Ca 0.12 -3.42 -0.09 0.00 0.00 0.00 0.00 53.44 50.05 1cyl n ALA 34 Cb 0.90 -1.80 -0.01 0.00 0.00 0.00 0.00 19.45 18.54 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 -0.66 -0.94 0.61 0.00 0.00 -1.26 -4.96 120.51 113.30 1cyl n ALA 35 Ca 0.57 -1.46 0.00 0.00 0.00 0.00 0.00 53.44 52.55 1cyl n ALA 35 Cb 0.56 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.67 1cyl n ALA 35 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1cyl n SER 36 N 2.77 0.56 0.00 0.00 2.88 -1.26 -3.47 113.62 115.10 1cyl n SER 36 Ca 0.19 -1.17 0.07 0.00 -1.33 0.00 0.00 58.87 56.63 1cyl n SER 36 Cb 0.55 -0.28 0.35 0.00 -0.75 0.00 0.00 64.21 64.08 1cyl n SER 36 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1cyl n LYS 37 N 0.17 0.11 -1.77 -1.46 4.81 -1.26 -4.88 118.16 113.88 1cyl n LYS 37 Ca 0.00 0.19 -0.01 0.00 -0.87 0.00 0.00 58.31 57.63 1cyl n LYS 37 Cb 0.14 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.69 1cyl n LYS 37 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1cyl n ASN 38 N -1.39 -2.94 -4.83 3.14 4.05 -1.23 -5.03 115.26 107.04 1cyl n ASN 38 Ca 0.05 -0.03 -0.31 0.00 0.45 0.00 0.00 54.58 54.74 1cyl n ASN 38 Cb 0.15 -1.64 0.03 0.00 1.23 0.00 0.00 39.78 39.55 1cyl n ASN 38 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 177.26 174.49 1cyl s THR 39 N -3.01 4.12 0.36 -0.44 -1.32 -1.26 -4.94 115.64 109.15 1cyl s THR 39 Ca 0.02 0.77 -0.24 0.00 -1.21 0.00 0.00 61.69 61.03 1cyl s THR 39 Cb -0.00 -3.49 -0.14 0.00 -1.51 0.00 0.00 72.50 67.36 1cyl s THR 39 CO 0.13 -0.82 0.47 0.35 -2.21 0.00 0.00 174.62 172.54 1cyl n THR 40 N -2.75 1.56 -0.09 5.08 -2.24 -1.26 -4.73 114.28 109.86 1cyl n THR 40 Ca 0.07 -0.50 -0.10 0.00 -2.27 0.00 0.00 64.05 61.26 1cyl n THR 40 Cb 0.53 -0.34 -0.03 0.00 -2.10 0.00 0.00 70.33 68.39 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 0.83 0.41 -0.76 -0.78 5.08 -2.00 -1.85 114.58 115.52 1cyl h GLU 41 Ca -0.37 -0.07 0.18 0.00 -1.00 0.00 0.00 59.36 58.11 1cyl h GLU 41 Cb 1.41 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 30.55 1cyl h GLU 41 CO 0.52 0.42 0.52 1.57 -1.00 0.00 0.00 179.01 181.04 1cyl h LYS 42 N 0.31 0.23 -0.11 2.33 2.10 -1.88 -0.63 116.57 118.92 1cyl h LYS 42 Ca 0.09 -0.01 -0.05 0.00 -2.00 0.00 0.00 60.65 58.68 1cyl h LYS 42 Cb 0.15 -0.05 -0.00 0.00 -0.90 0.00 0.00 32.23 31.43 1cyl h LYS 42 CO -0.01 0.15 -0.13 1.49 -2.00 0.00 0.00 179.45 178.95 1cyl h GLU 43 N 0.24 0.28 0.00 0.07 4.57 -1.68 -1.96 114.58 116.10 1cyl h GLU 43 Ca 0.37 -0.16 -0.00 0.00 -1.18 0.00 0.00 59.36 58.40 1cyl h GLU 43 Cb 1.11 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.71 1cyl h GLU 43 CO -0.08 0.71 -0.00 0.00 -1.18 0.00 0.00 179.01 178.45 1cyl h THR 44 N -0.13 0.97 -0.05 0.32 1.03 -0.73 0.59 112.91 114.90 1cyl h THR 44 Ca 0.01 -0.00 -0.14 0.00 -0.01 0.00 0.00 66.41 66.27 1cyl h THR 44 Cb 0.67 1.00 -0.01 0.00 -1.07 0.00 0.00 68.15 68.73 1cyl h THR 44 CO 0.03 0.00 -0.60 -0.26 -0.01 0.00 0.00 175.52 174.68 1cyl h PHE 45 N 0.00 0.22 0.06 0.00 0.04 -1.00 -0.03 116.94 116.22 1cyl h PHE 45 Ca -0.00 -0.08 -0.00 0.00 2.80 0.00 0.00 57.97 60.68 1cyl h PHE 45 Cb 0.00 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.11 1cyl h PHE 45 CO 0.00 0.72 -0.03 0.00 -0.60 0.00 0.00 178.31 178.41 1cyl h ARG 47 N -0.60 0.52 -0.04 0.00 9.65 -1.47 -2.72 114.38 119.72 1cyl h ARG 47 Ca -0.01 -0.31 -0.12 0.00 -1.10 0.00 0.00 59.98 58.45 1cyl h ARG 47 Cb 0.52 0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 29.11 1cyl h ARG 47 CO 0.01 0.90 -0.52 0.00 2.80 0.00 0.00 179.97 183.17 1cyl h ALA 48 N 1.04 1.07 -0.10 2.80 0.00 -1.02 -2.78 119.26 120.27 1cyl h ALA 48 Ca 0.02 -0.48 -0.13 0.00 0.00 0.00 0.00 54.91 54.32 1cyl h ALA 48 Cb 1.02 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1cyl h ALA 48 CO 0.09 0.66 -0.51 0.00 0.00 0.00 0.00 179.25 179.49 1cyl h ALA 49 N 1.39 0.95 -0.39 0.00 0.00 -0.76 -2.46 119.26 117.99 1cyl h ALA 49 Ca -0.00 -0.48 -0.13 0.00 0.00 0.00 0.00 54.91 54.29 1cyl h ALA 49 Cb 0.94 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1cyl h ALA 49 CO 0.07 0.67 -0.29 1.15 0.00 0.00 0.00 179.25 180.85 1cyl h THR 50 N 0.21 1.28 0.04 0.00 2.02 -1.21 -1.86 112.91 113.38 1cyl h THR 50 Ca 0.01 -1.44 -0.00 0.00 0.77 0.00 0.00 66.41 65.75 1cyl h THR 50 Cb 0.98 1.28 0.00 0.00 -1.74 0.00 0.00 68.15 68.67 1cyl h THR 50 CO 0.08 0.48 -0.02 -0.37 0.37 0.00 0.00 175.52 176.06 1cyl h VAL 51 N 0.71 1.33 -0.23 3.16 -1.51 -1.39 -1.75 116.25 116.57 1cyl h VAL 51 Ca 0.08 -1.25 0.07 0.00 -1.23 0.00 0.00 66.70 64.37 1cyl h VAL 51 Cb 0.83 2.15 -0.01 0.00 -2.13 0.00 0.00 31.29 32.13 1cyl h VAL 51 CO 0.07 0.31 0.17 -0.07 -1.23 0.00 0.00 177.57 176.83 1cyl h LEU 52 N -0.61 0.00 0.03 4.19 4.07 -1.48 -0.98 115.31 120.54 1cyl h LEU 52 Ca -0.00 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.95 1cyl h LEU 52 Cb 0.55 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.29 1cyl h LEU 52 CO 0.01 0.00 -0.02 -0.09 -1.08 0.00 0.00 178.44 177.26 1cyl h ARG 53 N 0.00 -0.05 0.00 1.13 1.12 -1.07 -2.77 114.38 112.74 1cyl h ARG 53 Ca 0.11 0.00 -0.05 0.00 -1.11 0.00 0.00 59.98 58.93 1cyl h ARG 53 Cb 0.46 0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 30.42 1cyl h ARG 53 CO -0.00 0.27 -0.25 -0.56 -3.11 0.00 0.00 179.97 176.32 1cyl h GLN 54 N -0.36 0.00 0.15 0.20 3.07 -0.38 -2.53 115.11 115.26 1cyl h GLN 54 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.73 1cyl h GLN 54 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.90 1cyl h GLN 54 CO 0.01 0.25 -0.07 0.35 0.09 0.00 0.00 178.83 179.46 1cyl h PHE 55 N 0.00 -0.19 -0.14 0.06 3.57 -1.07 -2.34 116.94 116.82 1cyl h PHE 55 Ca -0.00 -0.00 -0.19 0.00 3.53 0.00 0.00 57.97 61.31 1cyl h PHE 55 Cb 0.49 0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.30 1cyl h PHE 55 CO 0.00 0.13 -0.68 0.10 -2.23 0.00 0.00 178.31 175.63 1cyl h TYR 56 N -0.53 0.74 -0.24 0.41 -0.00 -1.47 -3.16 116.97 112.72 1cyl h TYR 56 Ca -0.02 -0.31 -0.14 0.00 0.00 0.00 0.00 58.73 58.26 1cyl h TYR 56 Cb 0.41 -0.12 -0.00 0.00 0.00 0.00 0.00 36.73 37.02 1cyl h TYR 56 CO 0.03 1.08 -0.39 0.77 -0.00 0.00 0.00 178.16 179.65 1cyl h SER 57 N 0.40 0.76 -0.02 0.10 0.02 -1.50 -2.24 113.55 111.07 1cyl h SER 57 Ca -0.02 -0.52 -0.01 0.00 -0.84 0.00 0.00 61.79 60.40 1cyl h SER 57 Cb 1.26 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 63.58 1cyl h SER 57 CO 0.13 1.14 -0.02 -0.74 -1.14 0.00 0.00 176.83 176.20 1cyl h HIS 58 N 0.41 0.05 0.00 3.45 2.76 -1.53 -3.24 115.15 117.05 1cyl h HIS 58 Ca 0.02 -0.01 -0.09 0.00 -2.20 0.00 0.00 60.37 58.09 1cyl h HIS 58 Cb 0.98 -0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.92 1cyl h HIS 58 CO 0.08 0.53 -0.41 0.45 -1.30 0.00 0.00 177.93 177.28 1cyl h HIS 59 N -0.45 0.00 -0.35 5.26 3.86 -1.67 -3.30 115.15 118.52 1cyl h HIS 59 Ca 0.00 0.00 0.12 0.00 -1.16 0.00 0.00 60.37 59.33 1cyl h HIS 59 Cb 0.52 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.93 1cyl h HIS 59 CO 0.10 0.41 0.10 0.39 0.86 0.00 0.00 177.93 179.79 1cyl n GLU 60 N -3.77 -0.02 -3.60 2.45 1.02 -0.84 -2.73 120.64 113.14 1cyl n GLU 60 Ca -0.01 0.50 -0.29 0.00 -0.02 0.00 0.00 57.16 57.34 1cyl n GLU 60 Cb 0.48 -0.84 -0.15 0.00 -0.02 0.00 0.00 31.44 30.91 1cyl n GLU 60 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1cyl s LYS 61 N -4.82 0.31 0.00 3.49 1.02 -1.24 -4.91 119.74 113.59 1cyl s LYS 61 Ca -0.04 -0.59 0.00 0.00 0.02 0.00 0.00 55.97 55.36 1cyl s LYS 61 Cb 0.11 -1.44 0.00 0.00 -0.52 0.00 0.00 37.83 35.98 1cyl s LYS 61 CO 0.27 -0.96 0.28 -3.47 -0.92 0.00 0.00 175.35 170.55 1cyl n ASP 62 N 5.16 -0.24 -2.18 2.83 2.03 -1.11 -4.95 116.55 118.09 1cyl n ASP 62 Ca -0.05 -0.57 -0.04 0.00 0.52 0.00 0.00 54.79 54.65 1cyl n ASP 62 Cb 0.43 0.07 -0.01 0.00 -0.72 0.00 0.00 41.12 40.90 1cyl n ASP 62 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 1cyl n THR 63 N 0.00 -0.15 0.00 5.18 -1.04 -1.26 -4.81 114.28 112.20 1cyl n THR 63 Ca -0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 1cyl n THR 63 Cb 0.34 -0.54 0.00 0.00 -1.82 0.00 0.00 70.33 68.30 1cyl n THR 63 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 1cyl n ARG 64 N -2.31 0.00 0.00 -2.82 0.00 -1.26 -4.15 116.66 106.11 1cyl n ARG 64 Ca -0.05 0.10 0.00 0.00 -0.00 0.00 0.00 57.85 57.91 1cyl n ARG 64 Cb 0.45 -0.64 0.00 0.00 0.00 0.00 0.00 32.46 32.27 1cyl n ARG 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1cyl s LEU 66 N -0.89 4.59 -0.01 0.00 1.02 -1.26 -4.54 118.68 117.59 1cyl s LEU 66 Ca 0.00 -0.58 -0.02 0.00 0.02 0.00 0.00 54.13 53.55 1cyl s LEU 66 Cb 0.00 -2.65 -0.01 0.00 0.02 0.00 0.00 46.19 43.55 1cyl s LEU 66 CO 0.00 -0.95 0.40 1.23 0.02 0.00 0.00 176.35 177.05 1cyl h GLY 67 N 10.04 -0.08 0.00 -3.19 0.00 -1.84 -3.48 103.07 104.52 1cyl h GLY 67 Ca -0.26 0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.10 1cyl h GLY 67 CO 0.98 -0.03 0.00 0.00 0.00 0.00 0.00 176.54 177.49 1cyl n ALA 68 N -2.12 0.00 0.00 3.60 0.00 -1.26 -5.11 120.51 115.62 1cyl n ALA 68 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1cyl n ALA 68 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.48 1cyl n ALA 68 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1cyl n THR 69 N 0.00 0.00 -0.15 0.00 -2.24 -1.26 -4.88 114.28 105.74 1cyl n THR 69 Ca 0.00 0.00 0.29 0.00 -2.27 0.00 0.00 64.05 62.07 1cyl n THR 69 Cb 0.00 0.00 0.69 0.00 -2.10 0.00 0.00 70.33 68.92 1cyl n THR 69 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1cyl h ALA 70 N 0.00 2.74 -0.01 6.98 0.00 -2.01 0.58 119.26 127.53 1cyl h ALA 70 Ca 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1cyl h ALA 70 Cb 0.00 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1cyl h ALA 70 CO 0.00 -1.23 0.00 0.37 0.00 0.00 0.00 179.25 178.39 1cyl h GLN 71 N 0.00 0.01 -0.12 0.00 5.75 -2.00 -1.76 115.11 116.99 1cyl h GLN 71 Ca 0.42 -0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.91 1cyl h GLN 71 Cb 1.97 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 30.52 1cyl h GLN 71 CO -0.00 0.31 0.06 1.96 -2.65 0.00 0.00 178.83 178.50 1cyl h GLN 72 N -0.29 0.15 -0.36 1.69 1.08 -0.23 -2.17 115.11 114.97 1cyl h GLN 72 Ca 0.00 -0.01 -0.14 0.00 -1.45 0.00 0.00 58.65 57.05 1cyl h GLN 72 Cb 0.30 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.69 1cyl h GLN 72 CO 0.00 0.12 -0.31 0.35 -0.95 0.00 0.00 178.83 178.04 1cyl h PHE 73 N 0.16 1.01 -0.60 2.96 3.57 -0.90 -1.99 116.94 121.15 1cyl h PHE 73 Ca 0.04 -0.29 -0.02 0.00 3.53 0.00 0.00 57.97 61.23 1cyl h PHE 73 Cb 0.01 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.51 1cyl h PHE 73 CO 0.00 1.08 0.28 1.25 -2.23 0.00 0.00 178.31 178.69 1cyl h HIS 74 N 0.65 0.84 -0.24 0.41 2.76 -0.67 -1.67 115.15 117.23 1cyl h HIS 74 Ca 0.06 -0.03 -0.11 0.00 -2.20 0.00 0.00 60.37 58.10 1cyl h HIS 74 Cb 0.89 -0.26 -0.00 0.00 1.55 0.00 0.00 27.41 29.58 1cyl h HIS 74 CO 0.06 0.62 -0.28 0.00 -1.30 0.00 0.00 177.93 177.03 1cyl h ARG 75 N 0.84 0.61 -0.31 5.26 3.08 -1.44 0.25 114.38 122.68 1cyl h ARG 75 Ca 0.21 -0.34 0.07 0.00 0.07 0.00 0.00 59.98 59.98 1cyl h ARG 75 Cb 0.10 0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.10 1cyl h ARG 75 CO -0.03 0.94 -0.12 1.25 -1.07 0.00 0.00 179.97 180.95 1cyl h HIS 76 N 0.32 -0.27 0.00 3.04 2.76 -0.75 -1.10 115.15 119.14 1cyl h HIS 76 Ca 0.03 0.03 -0.10 0.00 -2.20 0.00 0.00 60.37 58.14 1cyl h HIS 76 Cb 0.85 0.17 -0.01 0.00 1.55 0.00 0.00 27.41 29.96 1cyl h HIS 76 CO 0.08 -0.18 -0.45 0.87 -1.30 0.00 0.00 177.93 176.94 1cyl h LYS 77 N -0.06 0.00 0.03 5.26 1.57 -1.25 -3.21 116.57 118.91 1cyl h LYS 77 Ca 0.15 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1cyl h LYS 77 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.60 1cyl h LYS 77 CO -0.35 0.45 -0.01 0.37 -0.57 0.00 0.00 179.45 179.34 1cyl h GLN 78 N 0.00 -0.04 -0.19 3.15 4.15 0.36 -0.08 115.11 122.46 1cyl h GLN 78 Ca -0.00 0.00 -0.12 0.00 0.77 0.00 0.00 58.65 59.30 1cyl h GLN 78 Cb 0.89 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.59 1cyl h GLN 78 CO 0.06 0.24 -0.33 1.37 -1.93 0.00 0.00 178.83 178.23 1cyl h LEU 79 N -0.32 0.62 -0.86 -2.39 -0.00 -1.57 -1.71 115.31 109.08 1cyl h LEU 79 Ca -0.00 -0.54 -0.06 0.00 -0.00 0.00 0.00 57.88 57.28 1cyl h LEU 79 Cb 0.30 -0.18 -0.03 0.00 -0.00 0.00 0.00 40.66 40.75 1cyl h LEU 79 CO 0.01 1.04 0.19 0.16 -0.00 0.00 0.00 178.44 179.83 1cyl h ILE 80 N 0.22 1.25 0.07 0.15 3.07 -1.62 0.55 117.51 121.20 1cyl h ILE 80 Ca 0.01 -0.88 0.00 0.00 1.55 0.00 0.00 64.86 65.54 1cyl h ILE 80 Cb 0.92 0.54 -0.01 0.00 -0.27 0.00 0.00 36.82 38.01 1cyl h ILE 80 CO 0.08 0.34 -0.06 -0.09 -1.05 0.00 0.00 178.15 177.37 1cyl h ARG 81 N 0.99 -0.13 0.00 0.16 2.43 -0.92 0.41 114.38 117.31 1cyl h ARG 81 Ca 0.21 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.35 1cyl h ARG 81 Cb 0.31 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 1cyl h ARG 81 CO -0.00 -0.09 -0.22 0.74 -1.51 0.00 0.00 179.97 178.89 1cyl h PHE 82 N -0.14 0.00 0.00 2.20 -1.00 -0.96 0.12 116.94 117.15 1cyl h PHE 82 Ca 0.00 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.74 1cyl h PHE 82 Cb 0.13 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.69 1cyl h PHE 82 CO -0.10 0.22 -0.22 -0.07 -1.61 0.00 0.00 178.31 176.53 1cyl h LEU 83 N 0.00 0.00 -0.00 1.54 3.38 0.25 -2.29 115.31 118.19 1cyl h LEU 83 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1cyl h LEU 83 Cb 0.39 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 1cyl h LEU 83 CO 0.03 0.22 -0.00 0.50 0.09 0.00 0.00 178.44 179.28 1cyl h LYS 84 N 0.00 0.00 -0.94 1.13 3.64 0.24 -0.98 116.57 119.66 1cyl h LYS 84 Ca -0.00 -0.00 0.24 0.00 -1.27 0.00 0.00 60.65 59.62 1cyl h LYS 84 Cb 0.41 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.17 1cyl h LYS 84 CO 0.03 0.52 0.64 0.00 -2.27 0.00 0.00 179.45 178.37 1cyl h ARG 85 N -0.52 0.23 -0.34 1.90 3.08 -0.98 0.66 114.38 118.41 1cyl h ARG 85 Ca 0.00 -0.01 -0.16 0.00 0.07 0.00 0.00 59.98 59.88 1cyl h ARG 85 Cb 0.52 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.52 1cyl h ARG 85 CO 0.00 0.15 -0.41 1.25 -1.07 0.00 0.00 179.97 179.88 1cyl h LEU 86 N 0.23 0.95 -0.21 3.04 5.85 -0.98 -2.22 115.31 121.98 1cyl h LEU 86 Ca 0.48 -0.49 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 1cyl h LEU 86 Cb 1.49 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 42.24 1cyl h LEU 86 CO -0.13 1.25 0.04 -0.78 -0.34 0.00 0.00 178.44 178.48 1cyl h ASP 87 N 0.67 0.32 -0.02 1.25 3.58 0.16 -0.10 116.42 122.28 1cyl h ASP 87 Ca 0.04 -0.25 -0.00 0.00 0.42 0.00 0.00 57.03 57.24 1cyl h ASP 87 Cb 1.01 -0.09 -0.00 0.00 1.72 0.00 0.00 39.33 41.98 1cyl h ASP 87 CO 0.10 0.49 -0.00 -0.09 -2.88 0.00 0.00 179.24 176.85 1cyl h ARG 88 N 0.14 0.04 -0.01 0.28 9.65 -1.31 -3.20 114.38 119.97 1cyl h ARG 88 Ca 0.06 -0.02 -0.11 0.00 -1.10 0.00 0.00 59.98 58.82 1cyl h ARG 88 Cb 0.30 -0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.86 1cyl h ARG 88 CO 0.00 0.39 -0.50 -0.91 2.80 0.00 0.00 179.97 181.76 1cyl h ASN 89 N -0.31 0.04 -0.48 -3.80 4.21 -1.45 -2.94 115.58 110.84 1cyl h ASN 89 Ca 0.01 -0.02 0.14 0.00 1.21 0.00 0.00 56.30 57.64 1cyl h ASN 89 Cb 0.37 -0.01 -0.02 0.00 -1.12 0.00 0.00 38.32 37.54 1cyl h ASN 89 CO 0.00 0.53 0.36 -0.07 -1.29 0.00 0.00 177.43 176.96 1cyl h LEU 90 N 0.03 0.00 -0.76 1.61 3.38 -1.00 0.75 115.31 119.32 1cyl h LEU 90 Ca -0.00 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 1cyl h LEU 90 Cb 0.89 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 1cyl h LEU 90 CO 0.07 0.00 -0.44 -0.50 0.09 0.00 0.00 178.44 177.65 1cyl h TRP 91 N 0.00 0.47 0.02 1.13 4.06 -1.59 -1.12 115.95 118.91 1cyl h TRP 91 Ca 0.23 -0.14 -0.00 0.00 2.06 0.00 0.00 58.89 61.04 1cyl h TRP 91 Cb 0.94 -0.10 0.00 0.00 -1.00 0.00 0.00 29.16 29.01 1cyl h TRP 91 CO 0.00 0.77 -0.01 0.78 -3.56 0.00 0.00 178.44 176.42 1cyl h GLY 92 N 1.18 -0.03 1.41 1.49 0.00 -1.00 0.10 103.07 106.23 1cyl h GLY 92 Ca 0.02 0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.36 1cyl h GLY 92 CO 0.08 -0.01 0.33 -2.00 0.00 0.00 0.00 176.54 174.94 1cyl h LEU 93 N -0.57 0.69 0.00 3.11 5.85 -1.45 -3.28 115.31 119.66 1cyl h LEU 93 Ca -0.00 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.68 1cyl h LEU 93 Cb 0.54 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.40 1cyl h LEU 93 CO 0.00 0.54 0.00 0.00 -0.34 0.00 0.00 178.44 178.65 1cyl n ALA 94 N -2.45 -0.06 0.00 1.25 0.00 -0.43 -4.89 120.51 113.94 1cyl n ALA 94 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1cyl n ALA 94 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.53 1cyl n ALA 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cyl n GLY 95 N 1.66 2.17 3.91 0.00 0.00 0.02 -4.75 105.19 108.19 1cyl n GLY 95 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 4.20 -0.36 0.99 2.96 -1.26 -5.04 118.68 120.18 1cyl s LEU 96 Ca 0.00 0.10 0.14 0.00 -0.22 0.00 0.00 54.13 54.15 1cyl s LEU 96 Cb 0.00 -2.79 0.41 0.00 0.50 0.00 0.00 46.19 44.31 1cyl s LEU 96 CO 0.00 0.06 0.95 -3.20 -1.32 0.00 0.00 176.35 172.84 1cyl n ASN 97 N -0.46 0.55 0.00 3.68 4.05 -1.26 -4.80 115.26 117.02 1cyl n ASN 97 Ca -0.07 -2.84 0.00 0.00 0.45 0.00 0.00 54.58 52.11 1cyl n ASN 97 Cb 0.54 -0.18 0.00 0.00 1.23 0.00 0.00 39.78 41.37 1cyl n ASN 97 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 177.26 173.01 1cyl n SER 98 N 0.01 0.00 -3.19 1.20 7.64 -1.26 -5.07 113.62 112.95 1cyl n SER 98 Ca 0.12 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.74 1cyl n SER 98 Cb 0.77 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.91 1cyl n SER 98 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1cyl s PRO 100 N -2.76 3.16 0.00 0.00 0.04 -1.26 -4.59 135.00 129.58 1cyl s PRO 100 Ca 0.43 -0.74 0.00 0.00 0.04 0.00 0.00 61.00 60.73 1cyl s PRO 100 Cb 0.22 -5.19 0.00 0.00 0.04 0.00 0.00 34.50 29.57 1cyl s PRO 100 CO -0.08 -2.67 0.00 1.55 0.04 0.00 0.00 177.00 175.84 1cyl n VAL 101 N 7.27 0.00 -1.82 -0.36 3.14 -1.26 -5.09 118.33 120.21 1cyl n VAL 101 Ca 0.35 0.00 -0.01 0.00 -2.96 0.00 0.00 64.34 61.71 1cyl n VAL 101 Cb 0.49 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.28 1cyl n VAL 101 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 1cyl n LYS 102 N -0.40 -0.47 0.00 1.45 4.81 -1.26 -4.99 118.16 117.30 1cyl n LYS 102 Ca 0.00 0.83 0.00 0.00 -0.87 0.00 0.00 58.31 58.27 1cyl n LYS 102 Cb 0.00 -2.45 0.00 0.00 0.02 0.00 0.00 35.03 32.60 1cyl n LYS 102 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 1cyl n GLU 103 N -0.64 0.00 0.00 1.64 0.28 -1.26 -4.22 120.64 116.44 1cyl n GLU 103 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.02 1cyl n GLU 103 Cb 0.21 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.08 1cyl n GLU 103 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1cyl n ALA 104 N 0.00 1.69 -2.91 -1.84 0.00 -1.26 -4.96 120.51 111.22 1cyl n ALA 104 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 53.00 1cyl n ALA 104 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1cyl n ALA 104 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1cyl s ASN 105 N -2.67 6.47 1.00 0.00 3.84 -1.26 -5.01 114.94 117.31 1cyl s ASN 105 Ca 0.00 -1.70 -0.19 0.00 0.21 0.00 0.00 52.86 51.19 1cyl s ASN 105 Cb 0.00 -2.40 -0.09 0.00 -0.55 0.00 0.00 41.25 38.21 1cyl s ASN 105 CO 0.00 -1.18 -0.59 0.00 -2.79 0.00 0.00 177.10 172.53 1cyl n GLN 106 N 6.91 -0.27 -2.24 0.43 10.64 -1.26 -4.29 117.38 127.29 1cyl n GLN 106 Ca 0.14 -0.07 -0.04 0.00 -1.83 0.00 0.00 57.00 55.20 1cyl n GLN 106 Cb 0.48 -1.29 0.00 0.00 -0.86 0.00 0.00 30.24 28.57 1cyl n GLN 106 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 1cyl n SER 107 N 1.73 -0.75 -4.82 2.61 2.88 -1.23 -4.82 113.62 109.23 1cyl n SER 107 Ca 0.00 -1.66 -0.34 0.00 -1.33 0.00 0.00 58.87 55.54 1cyl n SER 107 Cb 0.61 1.29 -0.07 0.00 -0.75 0.00 0.00 64.21 65.29 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 -2.63 4.99 0.54 2.46 -4.23 -1.26 -2.44 115.64 113.08 1cyl s THR 108 Ca 0.08 -0.20 0.23 0.00 -1.18 0.00 0.00 61.69 60.61 1cyl s THR 108 Cb -0.01 -3.25 0.34 0.00 1.34 0.00 0.00 72.50 70.92 1cyl s THR 108 CO 0.06 0.43 2.08 0.25 -0.54 0.00 0.00 174.62 176.91 1cyl h LEU 109 N 4.35 0.00 -0.79 4.79 6.46 -1.31 -0.94 115.31 127.87 1cyl h LEU 109 Ca -0.51 0.00 0.17 0.00 -0.12 0.00 0.00 57.88 57.43 1cyl h LEU 109 Cb 1.19 0.00 -0.11 0.00 -0.73 0.00 0.00 40.66 41.01 1cyl h LEU 109 CO 0.62 0.00 0.26 -0.08 -0.62 0.00 0.00 178.44 178.62 1cyl h GLU 110 N 0.00 0.33 0.00 1.25 4.81 -1.91 0.64 114.58 119.70 1cyl h GLU 110 Ca 0.12 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.22 1cyl h GLU 110 Cb 0.49 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 1cyl h GLU 110 CO -0.00 0.22 -0.50 -0.97 -0.73 0.00 0.00 179.01 177.02 1cyl h ASN 111 N 0.34 0.00 -0.49 1.04 -1.24 -1.58 -2.31 115.58 111.33 1cyl h ASN 111 Ca 0.46 0.00 -0.11 0.00 0.71 0.00 0.00 56.30 57.36 1cyl h ASN 111 Cb 0.80 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.83 1cyl h ASN 111 CO -0.50 0.50 -0.11 0.15 -1.29 0.00 0.00 177.43 176.18 1cyl h PHE 112 N 0.00 1.08 -0.08 0.67 3.57 0.33 0.22 116.94 122.73 1cyl h PHE 112 Ca -0.00 -0.22 -0.15 0.00 3.53 0.00 0.00 57.97 61.13 1cyl h PHE 112 Cb 0.93 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.39 1cyl h PHE 112 CO 0.00 1.01 -0.59 1.25 -2.23 0.00 0.00 178.31 177.75 1cyl h LEU 113 N 0.87 0.30 -0.10 0.59 7.12 -0.89 0.23 115.31 123.43 1cyl h LEU 113 Ca 0.14 -0.17 -0.06 0.00 0.13 0.00 0.00 57.88 57.92 1cyl h LEU 113 Cb 0.66 -0.09 0.00 0.00 -0.53 0.00 0.00 40.66 40.70 1cyl h LEU 113 CO 0.05 0.82 -0.18 -0.08 -0.13 0.00 0.00 178.44 178.92 1cyl h GLU 114 N 0.20 0.30 0.04 1.25 4.57 -1.02 -1.33 114.58 118.59 1cyl h GLU 114 Ca -0.00 -0.19 -0.00 0.00 -1.18 0.00 0.00 59.36 57.99 1cyl h GLU 114 Cb 1.09 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.70 1cyl h GLU 114 CO 0.09 0.77 -0.02 -0.09 -1.18 0.00 0.00 179.01 178.59 1cyl h ARG 115 N -0.14 -0.05 -0.78 1.92 1.12 -0.57 -1.71 114.38 114.17 1cyl h ARG 115 Ca 0.01 0.00 0.02 0.00 -1.11 0.00 0.00 59.98 58.90 1cyl h ARG 115 Cb 0.75 0.01 -0.04 0.00 -0.01 0.00 0.00 29.97 30.68 1cyl h ARG 115 CO 0.04 0.45 0.51 1.25 -3.11 0.00 0.00 179.97 179.11 1cyl h LEU 116 N -0.57 0.86 -0.04 3.80 5.85 -0.63 -2.73 115.31 121.84 1cyl h LEU 116 Ca -0.01 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 1cyl h LEU 116 Cb 0.52 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.35 1cyl h LEU 116 CO 0.01 0.60 -0.05 0.50 -0.34 0.00 0.00 178.44 179.16 1cyl h LYS 117 N 1.01 0.11 -1.00 1.25 3.64 -1.25 -2.91 116.57 117.41 1cyl h LYS 117 Ca 0.30 -0.06 0.23 0.00 -1.27 0.00 0.00 60.65 59.85 1cyl h LYS 117 Cb -0.04 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 31.68 1cyl h LYS 117 CO -0.09 0.58 0.63 0.00 -2.27 0.00 0.00 179.45 178.30 1cyl h THR 118 N -0.35 0.60 0.02 1.00 1.03 -1.18 -1.34 112.91 112.68 1cyl h THR 118 Ca 0.01 -0.18 -0.00 0.00 -0.01 0.00 0.00 66.41 66.23 1cyl h THR 118 Cb 0.57 0.03 0.00 0.00 -1.07 0.00 0.00 68.15 67.68 1cyl h THR 118 CO 0.01 0.09 -0.01 0.40 -0.01 0.00 0.00 175.52 176.01 1cyl h ILE 119 N 0.52 1.35 -0.91 0.00 2.04 -1.44 -3.10 117.51 115.97 1cyl h ILE 119 Ca 0.58 -1.15 0.14 0.00 1.00 0.00 0.00 64.86 65.42 1cyl h ILE 119 Cb 1.26 2.12 -0.09 0.00 -0.74 0.00 0.00 36.82 39.37 1cyl h ILE 119 CO -0.32 0.29 0.52 0.24 0.00 0.00 0.00 178.15 178.88 1cyl h MET 120 N -0.53 0.75 -0.55 2.37 2.86 -1.07 0.34 114.93 119.11 1cyl h MET 120 Ca -0.00 -0.05 0.03 0.00 -2.06 0.00 0.00 59.70 57.62 1cyl h MET 120 Cb 0.50 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 31.96 1cyl h MET 120 CO 0.00 0.50 0.36 0.00 1.06 0.00 0.00 176.91 178.83 1cyl h ARG 121 N 0.77 0.63 0.04 1.72 -0.00 -1.37 0.11 114.38 116.28 1cyl h ARG 121 Ca 0.48 -0.04 -0.00 0.00 -0.50 0.00 0.00 59.98 59.92 1cyl h ARG 121 Cb 0.59 -0.14 0.00 0.00 0.00 0.00 0.00 29.97 30.42 1cyl h ARG 121 CO -0.32 0.42 -0.02 0.93 0.00 0.00 0.00 179.97 180.98 1cyl h GLU 122 N 0.65 -0.05 -0.50 0.04 5.08 -0.30 -0.27 114.58 119.22 1cyl h GLU 122 Ca 0.22 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.50 1cyl h GLU 122 Cb 0.06 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 1cyl h GLU 122 CO -0.06 0.42 -0.02 -0.22 -1.00 0.00 0.00 179.01 178.14 1cyl h LYS 123 N -0.55 0.86 -0.12 2.33 3.64 -0.93 -2.63 116.57 119.17 1cyl h LYS 123 Ca -0.01 -0.25 -0.13 0.00 -1.27 0.00 0.00 60.65 58.99 1cyl h LYS 123 Cb 0.50 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 1cyl h LYS 123 CO 0.01 0.87 -0.50 -0.92 -2.27 0.00 0.00 179.45 176.63 1cyl h TYR 124 N 0.79 0.38 0.00 1.91 5.03 -1.01 -2.64 116.97 121.43 1cyl h TYR 124 Ca 0.15 -0.13 0.00 0.00 2.58 0.00 0.00 58.73 61.33 1cyl h TYR 124 Cb 0.50 -0.08 0.00 0.00 1.55 0.00 0.00 36.73 38.70 1cyl h TYR 124 CO 0.03 0.75 0.00 0.45 -1.32 0.00 0.00 178.16 178.07 1cyl n SER 125 N -3.96 0.00 0.13 -2.11 2.88 -0.11 -3.50 113.62 106.95 1cyl n SER 125 Ca -0.02 0.32 -0.06 0.00 -1.33 0.00 0.00 58.87 57.78 1cyl n SER 125 Cb 0.55 -0.39 -0.03 0.00 -0.75 0.00 0.00 64.21 63.59 1cyl n SER 125 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1cyl h LYS 126 N 0.00 -0.35 -0.71 -1.46 6.56 -1.46 -2.37 116.57 116.79 1cyl h LYS 126 Ca 0.00 0.02 0.19 0.00 -1.06 0.00 0.00 60.65 59.81 1cyl h LYS 126 Cb 0.13 0.08 -0.03 0.00 -0.57 0.00 0.00 32.23 31.83 1cyl h LYS 126 CO 0.00 -0.23 0.50 0.00 -2.06 0.00 0.00 179.45 177.66 1cyl n SER 128 N -4.37 -0.03 -0.11 0.00 7.64 -0.89 -4.97 113.62 110.90 1cyl n SER 128 Ca 0.14 -0.98 0.16 0.00 1.01 0.00 0.00 58.87 59.20 1cyl n SER 128 Cb 0.72 0.00 0.85 0.00 -1.01 0.00 0.00 64.21 64.77 1cyl n SER 128 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79