#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cyl s LYS 2 N 0.00 1.57 0.29 1.57 2.20 -1.26 -4.87 119.74 119.24 1cyl s LYS 2 Ca 0.00 -1.89 0.04 0.00 -0.36 0.00 0.00 55.97 53.76 1cyl s LYS 2 Cb 0.00 -0.39 -0.03 0.00 -1.51 0.00 0.00 37.83 35.91 1cyl s LYS 2 CO 0.00 -0.34 0.43 0.00 -0.36 0.00 0.00 175.35 175.09 1cyl n ASP 4 N -1.56 -5.38 0.15 0.00 5.68 -1.26 -4.82 116.55 109.35 1cyl n ASP 4 Ca -0.07 0.16 -0.00 0.00 -0.50 0.00 0.00 54.79 54.39 1cyl n ASP 4 Cb 0.57 -0.76 0.22 0.00 -1.14 0.00 0.00 41.12 40.02 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 -1.05 1.38 -0.35 2.12 1.08 -2.02 -3.24 117.51 115.44 1cyl h ILE 5 Ca -0.43 -1.88 0.07 0.00 -0.39 0.00 0.00 64.86 62.22 1cyl h ILE 5 Cb 1.31 2.02 -0.07 0.00 -3.07 0.00 0.00 36.82 37.01 1cyl h ILE 5 CO 0.24 0.54 -0.10 0.00 -0.69 0.00 0.00 178.15 178.13 1cyl h THR 6 N 0.00 0.62 -0.09 -0.27 1.03 -2.01 -2.69 112.91 109.49 1cyl h THR 6 Ca -0.01 0.00 0.02 0.00 -0.01 0.00 0.00 66.41 66.41 1cyl h THR 6 Cb 0.98 0.62 -0.02 0.00 -1.07 0.00 0.00 68.15 68.66 1cyl h THR 6 CO 0.07 0.00 -0.01 0.25 -0.01 0.00 0.00 175.52 175.82 1cyl h LEU 7 N -0.02 -0.07 -1.97 0.00 6.46 -1.90 -1.12 115.31 116.69 1cyl h LEU 7 Ca 0.17 0.02 0.28 0.00 -0.12 0.00 0.00 57.88 58.24 1cyl h LEU 7 Cb 0.28 0.05 -0.04 0.00 -0.73 0.00 0.00 40.66 40.22 1cyl h LEU 7 CO -0.37 -0.02 0.73 0.06 -0.62 0.00 0.00 178.44 178.21 1cyl h GLN 8 N 0.01 0.00 -0.15 1.25 -0.00 -1.61 0.37 115.11 114.98 1cyl h GLN 8 Ca 0.04 0.00 -0.08 0.00 -0.00 0.00 0.00 58.65 58.62 1cyl h GLN 8 Cb 0.06 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 27.54 1cyl h GLN 8 CO -0.08 0.00 -0.20 0.93 -0.00 0.00 0.00 178.83 179.48 1cyl h GLU 9 N 0.00 0.40 0.00 0.06 5.08 -1.06 -2.75 114.58 116.31 1cyl h GLU 9 Ca 0.46 -0.23 -0.06 0.00 -1.00 0.00 0.00 59.36 58.53 1cyl h GLU 9 Cb 1.91 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 31.17 1cyl h GLU 9 CO -0.00 0.81 -0.30 0.82 -1.00 0.00 0.00 179.01 179.33 1cyl h ILE 10 N 0.03 1.17 0.00 3.13 5.03 0.05 -1.98 117.51 124.92 1cyl h ILE 10 Ca 0.02 -1.06 -0.10 0.00 -0.12 0.00 0.00 64.86 63.60 1cyl h ILE 10 Cb 0.75 1.58 -0.01 0.00 -3.03 0.00 0.00 36.82 36.11 1cyl h ILE 10 CO 0.05 0.30 -0.49 0.40 -0.68 0.00 0.00 178.15 177.73 1cyl h ILE 11 N 0.00 1.29 -0.08 -0.67 2.04 -1.10 -0.32 117.51 118.67 1cyl h ILE 11 Ca -0.00 -1.71 -0.02 0.00 1.00 0.00 0.00 64.86 64.13 1cyl h ILE 11 Cb 0.55 1.94 -0.00 0.00 -0.74 0.00 0.00 36.82 38.57 1cyl h ILE 11 CO 0.04 0.48 -0.04 0.50 0.00 0.00 0.00 178.15 179.12 1cyl h LYS 12 N 0.00 0.17 -0.26 2.37 3.64 -1.06 0.14 116.57 121.56 1cyl h LYS 12 Ca -0.00 -0.08 -0.13 0.00 -1.27 0.00 0.00 60.65 59.16 1cyl h LYS 12 Cb 0.90 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.71 1cyl h LYS 12 CO 0.06 0.55 -0.36 1.15 -2.27 0.00 0.00 179.45 178.58 1cyl h THR 13 N -0.21 1.30 0.00 1.00 2.02 -1.43 -2.50 112.91 113.09 1cyl h THR 13 Ca 0.02 -1.55 -0.06 0.00 0.77 0.00 0.00 66.41 65.59 1cyl h THR 13 Cb 0.50 1.67 -0.01 0.00 -1.74 0.00 0.00 68.15 68.57 1cyl h THR 13 CO 0.01 0.49 -0.29 0.25 0.37 0.00 0.00 175.52 176.36 1cyl h LEU 14 N 0.44 0.00 -0.01 2.58 5.85 -1.08 -3.01 115.31 120.07 1cyl h LEU 14 Ca 0.03 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 1cyl h LEU 14 Cb 0.95 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.98 1cyl h LEU 14 CO 0.08 0.29 -0.02 0.78 -0.34 0.00 0.00 178.44 179.24 1cyl h ASN 15 N 0.00 0.04 -0.83 1.25 4.21 -0.52 -2.94 115.58 116.78 1cyl h ASN 15 Ca -0.00 -0.53 0.17 0.00 1.21 0.00 0.00 56.30 57.16 1cyl h ASN 15 Cb 0.55 -0.01 -0.11 0.00 -1.12 0.00 0.00 38.32 37.63 1cyl h ASN 15 CO 0.04 0.55 0.35 0.77 -1.29 0.00 0.00 177.43 177.85 1cyl h SER 16 N -0.48 0.31 -0.15 5.81 4.64 -1.32 0.66 113.55 123.03 1cyl h SER 16 Ca 0.00 0.13 -0.08 0.00 -0.47 0.00 0.00 61.79 61.37 1cyl h SER 16 Cb 0.55 0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.72 1cyl h SER 16 CO 0.00 0.07 -0.13 -0.07 -0.87 0.00 0.00 176.83 175.83 1cyl h LEU 17 N 0.44 0.51 0.01 5.97 3.38 -1.55 -0.62 115.31 123.45 1cyl h LEU 17 Ca 0.48 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.31 1cyl h LEU 17 Cb 0.80 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1cyl h LEU 17 CO -0.46 0.67 -0.00 0.71 0.09 0.00 0.00 178.44 179.45 1cyl h THR 18 N 0.48 1.27 0.00 0.22 1.35 -0.72 -2.51 112.91 113.00 1cyl h THR 18 Ca 0.09 -0.82 -0.01 0.00 -0.55 0.00 0.00 66.41 65.12 1cyl h THR 18 Cb 0.52 1.82 -0.00 0.00 -1.73 0.00 0.00 68.15 68.76 1cyl h THR 18 CO 0.03 0.21 -0.06 -0.33 -0.25 0.00 0.00 175.52 175.13 1cyl h GLU 19 N -0.36 0.00 -3.95 4.72 3.07 -1.24 -3.31 114.58 113.52 1cyl h GLU 19 Ca -0.00 0.00 -0.73 0.00 -0.50 0.00 0.00 59.36 58.13 1cyl h GLU 19 Cb 0.35 0.00 -0.31 0.00 -0.84 0.00 0.00 28.75 27.95 1cyl h GLU 19 CO 0.00 0.06 -0.27 -0.65 -1.40 0.00 0.00 179.01 176.74 1cyl s GLN 20 N -4.89 2.75 -0.31 2.33 -0.21 -0.25 -4.87 119.66 114.21 1cyl s GLN 20 Ca -0.05 -2.19 -0.08 0.00 0.02 0.00 0.00 55.36 53.06 1cyl s GLN 20 Cb 0.16 -3.96 0.23 0.00 1.00 0.00 0.00 33.01 30.44 1cyl s GLN 20 CO 0.67 -1.21 1.21 1.63 -2.12 0.00 0.00 175.29 175.47 1cyl n LYS 21 N 4.19 0.02 0.00 2.91 4.76 -1.23 -4.62 118.16 124.19 1cyl n LYS 21 Ca 0.03 -0.55 0.00 0.00 -2.87 0.00 0.00 58.31 54.92 1cyl n LYS 21 Cb 0.41 0.31 0.00 0.00 -1.84 0.00 0.00 35.03 33.91 1cyl n LYS 21 CO 0.00 0.00 0.00 -2.37 -1.37 0.00 0.00 177.40 173.66 1cyl n THR 22 N 2.25 0.00 0.56 -0.18 5.66 -1.26 -4.74 114.28 116.56 1cyl n THR 22 Ca 0.08 0.00 0.05 0.00 -3.05 0.00 0.00 64.05 61.12 1cyl n THR 22 Cb 0.68 -0.24 0.27 0.00 -1.55 0.00 0.00 70.33 69.49 1cyl n THR 22 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 1cyl n LEU 23 N -2.35 0.00 0.00 1.09 0.00 -1.26 -4.32 117.00 110.17 1cyl n LEU 23 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 56.01 56.04 1cyl n LEU 23 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 43.42 43.39 1cyl n LEU 23 CO 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 177.39 177.37 1cyl n THR 25 N 0.00 0.00 -2.17 0.00 -2.24 -1.26 -4.49 114.28 104.12 1cyl n THR 25 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1cyl n THR 25 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 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 -2.66 0.19 -0.78 2.13 -1.26 -4.65 120.64 113.61 1cyl n GLU 26 Ca 0.00 0.00 0.13 0.00 0.66 0.00 0.00 57.16 57.95 1cyl n GLU 26 Cb 0.00 -3.80 0.28 0.00 0.27 0.00 0.00 31.44 28.19 1cyl n GLU 26 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 1cyl h LEU 27 N 0.00 0.00 -1.31 4.31 3.38 -1.90 -3.45 115.31 116.34 1cyl h LEU 27 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1cyl h LEU 27 Cb 0.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1cyl h LEU 27 CO 0.00 0.00 -0.16 0.41 0.09 0.00 0.00 178.44 178.78 1cyl n THR 28 N -2.85 -3.98 -4.49 0.22 -1.04 -1.26 -4.81 114.28 96.07 1cyl n THR 28 Ca 0.04 0.58 -0.25 0.00 -2.04 0.00 0.00 64.05 62.37 1cyl n THR 28 Cb 0.48 -2.85 -0.08 0.00 -1.82 0.00 0.00 70.33 66.06 1cyl n THR 28 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 1cyl s VAL 29 N -0.09 0.41 -0.90 12.58 -7.23 -0.56 -4.69 120.40 119.93 1cyl s VAL 29 Ca 0.00 -2.00 -0.24 0.00 -1.81 0.00 0.00 61.98 57.93 1cyl s VAL 29 Cb 0.00 -2.31 0.05 0.00 0.56 0.00 0.00 36.38 34.68 1cyl s VAL 29 CO 0.00 0.00 1.33 -0.89 -0.31 0.00 0.00 175.10 175.23 1cyl s THR 30 N -3.21 3.98 -0.56 5.32 2.01 -1.26 -3.25 115.64 118.67 1cyl s THR 30 Ca 0.25 -0.48 -0.26 0.00 0.31 0.00 0.00 61.69 61.50 1cyl s THR 30 Cb 0.01 -4.96 -0.09 0.00 0.01 0.00 0.00 72.50 67.47 1cyl s THR 30 CO 0.17 -1.84 2.44 -0.67 -0.69 0.00 0.00 174.62 174.03 1cyl n ASP 31 N 8.70 2.10 -1.72 3.53 2.03 -1.26 -4.78 116.55 125.16 1cyl n ASP 31 Ca 0.21 -0.56 -0.11 0.00 0.52 0.00 0.00 54.79 54.85 1cyl n ASP 31 Cb 0.50 -1.54 0.03 0.00 -0.72 0.00 0.00 41.12 39.39 1cyl n ASP 31 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 1cyl n ILE 32 N 8.03 2.41 -1.96 5.18 -5.35 -1.26 -4.09 119.36 122.31 1cyl n ILE 32 Ca 0.40 -1.20 0.03 0.00 -0.27 0.00 0.00 62.75 61.70 1cyl n ILE 32 Cb 0.50 -1.28 0.13 0.00 -1.74 0.00 0.00 39.64 37.25 1cyl n ILE 32 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1cyl n PHE 33 N 0.54 0.28 -3.12 4.28 3.72 -1.26 -4.83 117.46 117.07 1cyl n PHE 33 Ca 0.21 -1.28 -0.17 0.00 -0.05 0.00 0.00 57.45 56.16 1cyl n PHE 33 Cb 0.62 -0.23 -0.02 0.00 -0.94 0.00 0.00 39.48 38.92 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 -0.58 1.88 0.00 4.37 0.00 -1.26 -4.85 120.51 120.07 1cyl n ALA 34 Ca 0.17 -3.22 0.00 0.00 0.00 0.00 0.00 53.44 50.39 1cyl n ALA 34 Cb 0.86 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 19.36 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 0.26 0.00 -3.38 0.00 0.00 -1.26 -3.77 120.51 112.36 1cyl n ALA 35 Ca 0.22 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.48 1cyl n ALA 35 Cb 0.68 0.00 0.08 0.00 0.00 0.00 0.00 19.45 20.20 1cyl n ALA 35 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1cyl n SER 36 N 0.00 -3.80 -0.18 0.00 7.64 -1.26 -4.74 113.62 111.28 1cyl n SER 36 Ca 0.00 -0.52 0.03 0.00 1.01 0.00 0.00 58.87 59.39 1cyl n SER 36 Cb 0.00 -4.62 0.15 0.00 -1.01 0.00 0.00 64.21 58.73 1cyl n SER 36 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1cyl n LYS 37 N -4.15 1.23 -0.60 1.43 0.00 -1.26 -3.72 118.16 111.09 1cyl n LYS 37 Ca -0.14 -0.35 -0.07 0.00 0.00 0.00 0.00 58.31 57.75 1cyl n LYS 37 Cb 0.61 -1.13 0.14 0.00 0.00 0.00 0.00 35.03 34.64 1cyl n LYS 37 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1cyl n ASN 38 N -0.27 3.46 -4.97 3.14 2.85 -1.26 -4.91 115.26 113.30 1cyl n ASN 38 Ca 0.06 -2.74 -0.21 0.00 -0.11 0.00 0.00 54.58 51.57 1cyl n ASN 38 Cb 0.10 -0.66 0.03 0.00 1.24 0.00 0.00 39.78 40.49 1cyl n ASN 38 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 1cyl s THR 39 N -1.83 2.94 0.67 -0.44 -1.32 -1.24 -5.02 115.64 109.39 1cyl s THR 39 Ca 0.30 -0.64 -0.17 0.00 -1.21 0.00 0.00 61.69 59.97 1cyl s THR 39 Cb 0.25 -3.10 -0.12 0.00 -1.51 0.00 0.00 72.50 68.02 1cyl s THR 39 CO 0.07 -0.07 -0.08 0.35 -2.21 0.00 0.00 174.62 172.68 1cyl n THR 40 N -2.28 0.56 -0.24 5.08 -2.24 -1.26 -4.71 114.28 109.19 1cyl n THR 40 Ca 0.07 -0.47 -0.04 0.00 -2.27 0.00 0.00 64.05 61.33 1cyl n THR 40 Cb 0.59 -0.22 0.06 0.00 -2.10 0.00 0.00 70.33 68.67 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 -0.31 0.84 -1.08 -0.78 5.08 -1.95 -0.22 114.58 116.15 1cyl h GLU 41 Ca -0.43 -0.05 0.31 0.00 -1.00 0.00 0.00 59.36 58.19 1cyl h GLU 41 Cb 1.39 -0.19 -0.05 0.00 0.50 0.00 0.00 28.75 30.40 1cyl h GLU 41 CO 0.38 0.56 0.77 0.87 -1.00 0.00 0.00 179.01 180.59 1cyl h LYS 42 N 0.87 0.03 -0.24 2.33 1.57 -1.92 0.35 116.57 119.55 1cyl h LYS 42 Ca 0.26 -0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.92 1cyl h LYS 42 Cb -0.03 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.27 1cyl h LYS 42 CO -0.09 0.02 -0.31 1.49 -0.57 0.00 0.00 179.45 179.99 1cyl h GLU 43 N 0.03 0.63 0.00 3.15 4.57 -1.32 -2.01 114.58 119.63 1cyl h GLU 43 Ca 0.52 -0.36 -0.04 0.00 -1.18 0.00 0.00 59.36 58.30 1cyl h GLU 43 Cb 2.03 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 30.64 1cyl h GLU 43 CO -0.03 0.97 -0.17 0.00 -1.18 0.00 0.00 179.01 178.60 1cyl h THR 44 N 0.34 1.02 -0.06 0.32 1.03 -0.29 -0.98 112.91 114.29 1cyl h THR 44 Ca 0.03 -0.61 -0.14 0.00 -0.01 0.00 0.00 66.41 65.68 1cyl h THR 44 Cb 0.89 1.34 -0.01 0.00 -1.07 0.00 0.00 68.15 69.29 1cyl h THR 44 CO 0.07 0.17 -0.58 -0.26 -0.01 0.00 0.00 175.52 174.91 1cyl h PHE 45 N 0.00 0.26 0.04 0.00 -1.00 -1.03 0.02 116.94 115.24 1cyl h PHE 45 Ca -0.00 -0.10 -0.00 0.00 2.81 0.00 0.00 57.97 60.68 1cyl h PHE 45 Cb 0.33 -0.05 0.00 0.00 3.61 0.00 0.00 35.95 39.84 1cyl h PHE 45 CO 0.00 0.74 -0.02 0.00 -1.61 0.00 0.00 178.31 177.42 1cyl h ARG 47 N -0.59 0.20 0.03 0.00 9.65 -1.45 -3.01 114.38 119.20 1cyl h ARG 47 Ca -0.01 -0.12 -0.00 0.00 -1.10 0.00 0.00 59.98 58.75 1cyl h ARG 47 Cb 0.53 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.13 1cyl h ARG 47 CO 0.01 0.69 -0.01 0.00 2.80 0.00 0.00 179.97 183.46 1cyl h ALA 48 N 1.28 -0.03 -0.69 2.80 0.00 -1.01 -2.81 119.26 118.81 1cyl h ALA 48 Ca 0.00 -0.25 0.20 0.00 0.00 0.00 0.00 54.91 54.86 1cyl h ALA 48 Cb 1.00 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 1cyl h ALA 48 CO 0.08 -0.26 0.49 0.00 0.00 0.00 0.00 179.25 179.56 1cyl h ALA 49 N 0.40 2.65 -0.33 0.00 0.00 -1.26 0.12 119.26 120.85 1cyl h ALA 49 Ca -0.00 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 1cyl h ALA 49 Cb 0.51 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1cyl h ALA 49 CO 0.01 -0.85 -0.14 1.15 0.00 0.00 0.00 179.25 179.42 1cyl h THR 50 N 0.00 1.29 0.02 0.00 2.02 -1.36 -2.91 112.91 111.97 1cyl h THR 50 Ca 0.33 -1.24 -0.00 0.00 0.77 0.00 0.00 66.41 66.27 1cyl h THR 50 Cb 1.31 1.38 0.00 0.00 -1.74 0.00 0.00 68.15 69.11 1cyl h THR 50 CO -0.00 0.40 -0.01 -0.37 0.37 0.00 0.00 175.52 175.91 1cyl h VAL 51 N 0.46 1.37 -1.04 3.16 -1.51 -0.62 -2.82 116.25 115.25 1cyl h VAL 51 Ca 0.08 -1.22 0.30 0.00 -1.23 0.00 0.00 66.70 64.63 1cyl h VAL 51 Cb 0.67 2.18 -0.04 0.00 -2.13 0.00 0.00 31.29 31.97 1cyl h VAL 51 CO 0.04 0.31 0.75 -0.07 -1.23 0.00 0.00 177.57 177.38 1cyl h LEU 52 N -0.55 0.00 0.05 4.19 3.38 -1.36 0.20 115.31 121.22 1cyl h LEU 52 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1cyl h LEU 52 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1cyl h LEU 52 CO 0.00 0.00 -0.02 -0.09 0.09 0.00 0.00 178.44 178.42 1cyl h ARG 53 N 0.00 -0.06 0.00 1.13 1.12 -1.29 -1.86 114.38 113.42 1cyl h ARG 53 Ca 0.49 0.00 -0.10 0.00 -1.11 0.00 0.00 59.98 59.27 1cyl h ARG 53 Cb 1.99 0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 31.95 1cyl h ARG 53 CO -0.01 0.14 -0.46 1.96 -3.11 0.00 0.00 179.97 178.50 1cyl h GLN 54 N -0.26 0.00 0.12 0.20 4.20 -0.62 -2.64 115.11 116.11 1cyl h GLN 54 Ca -0.01 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1cyl h GLN 54 Cb 0.23 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.02 1cyl h GLN 54 CO 0.01 0.46 -0.06 0.35 -0.67 0.00 0.00 178.83 178.92 1cyl h PHE 55 N 0.00 -0.15 -0.16 2.96 3.04 -0.84 -1.96 116.94 119.83 1cyl h PHE 55 Ca -0.00 -0.00 -0.17 0.00 3.98 0.00 0.00 57.97 61.77 1cyl h PHE 55 Cb 0.86 0.05 -0.00 0.00 2.56 0.00 0.00 35.95 39.41 1cyl h PHE 55 CO 0.00 0.29 -0.62 0.10 -2.02 0.00 0.00 178.31 176.06 1cyl h TYR 56 N -0.66 0.70 -0.10 0.41 -0.00 -1.40 -1.86 116.97 114.05 1cyl h TYR 56 Ca -0.02 -0.27 -0.05 0.00 0.00 0.00 0.00 58.73 58.40 1cyl h TYR 56 Cb 0.51 -0.12 -0.00 0.00 0.00 0.00 0.00 36.73 37.11 1cyl h TYR 56 CO 0.08 1.02 -0.12 0.77 -0.00 0.00 0.00 178.16 179.91 1cyl h SER 57 N 0.40 0.27 0.07 0.10 0.02 -1.55 -2.78 113.55 110.09 1cyl h SER 57 Ca -0.01 -0.51 -0.14 0.00 -0.84 0.00 0.00 61.79 60.29 1cyl h SER 57 Cb 1.18 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.63 1cyl h SER 57 CO 0.12 0.73 -0.49 -0.74 -1.14 0.00 0.00 176.83 175.30 1cyl h HIS 58 N -0.17 0.59 0.00 3.45 2.76 -1.42 -3.10 115.15 117.26 1cyl h HIS 58 Ca 0.01 -0.19 -0.10 0.00 -2.20 0.00 0.00 60.37 57.89 1cyl h HIS 58 Cb 0.66 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 29.49 1cyl h HIS 58 CO 0.10 0.87 -0.47 0.45 -1.30 0.00 0.00 177.93 177.58 1cyl h HIS 59 N 0.38 0.00 -0.59 5.26 -0.00 -1.38 -3.27 115.15 115.55 1cyl h HIS 59 Ca 0.02 0.00 0.11 0.00 -0.00 0.00 0.00 60.37 60.50 1cyl h HIS 59 Cb 1.00 0.00 -0.11 0.00 -0.00 0.00 0.00 27.41 28.30 1cyl h HIS 59 CO 0.04 0.47 -0.18 0.39 -0.00 0.00 0.00 177.93 178.65 1cyl n GLU 60 N -3.88 -0.08 -3.58 2.45 1.02 -1.05 -3.36 120.64 112.16 1cyl n GLU 60 Ca -0.01 0.92 -0.28 0.00 -0.02 0.00 0.00 57.16 57.76 1cyl n GLU 60 Cb 0.50 -1.37 -0.16 0.00 -0.02 0.00 0.00 31.44 30.40 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 -5.68 0.20 0.00 3.49 1.02 -1.23 -4.94 119.74 112.60 1cyl s LYS 61 Ca -0.09 -0.44 0.00 0.00 0.02 0.00 0.00 55.97 55.46 1cyl s LYS 61 Cb 0.15 -1.41 0.00 0.00 -0.52 0.00 0.00 37.83 36.04 1cyl s LYS 61 CO 0.45 -0.91 0.69 -3.47 -0.92 0.00 0.00 175.35 171.18 1cyl n ASP 62 N 5.23 -0.39 -2.28 2.83 2.03 -1.21 -4.96 116.55 117.79 1cyl n ASP 62 Ca -0.06 -1.38 -0.03 0.00 0.52 0.00 0.00 54.79 53.84 1cyl n ASP 62 Cb 0.44 0.12 -0.00 0.00 -0.72 0.00 0.00 41.12 40.95 1cyl n ASP 62 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1cyl n THR 63 N 0.00 -0.13 -3.58 5.18 -2.24 -1.26 -4.82 114.28 107.43 1cyl n THR 63 Ca -0.11 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.27 1cyl n THR 63 Cb 0.57 -0.42 -0.08 0.00 -2.10 0.00 0.00 70.33 68.30 1cyl n THR 63 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1cyl s ARG 64 N -4.60 2.73 -0.09 -0.78 1.81 -1.26 -4.49 118.95 112.27 1cyl s ARG 64 Ca 0.00 -2.24 0.00 0.00 -1.72 0.00 0.00 55.73 51.77 1cyl s ARG 64 Cb 0.00 -3.94 0.00 0.00 -0.45 0.00 0.00 34.95 30.56 1cyl s ARG 64 CO 0.00 -1.20 0.00 0.00 -0.68 0.00 0.00 175.30 173.42 1cyl h LEU 66 N 0.00 -0.00 0.00 0.00 -0.00 -1.94 -3.45 115.31 109.92 1cyl h LEU 66 Ca -0.02 0.22 0.00 0.00 -0.00 0.00 0.00 57.88 58.08 1cyl h LEU 66 Cb 0.15 0.30 0.00 0.00 -0.00 0.00 0.00 40.66 41.11 1cyl h LEU 66 CO 0.03 -0.23 0.00 0.61 -0.00 0.00 0.00 178.44 178.85 1cyl n GLY 67 N -1.38 3.15 2.71 0.83 0.00 -1.26 -4.39 105.19 104.85 1cyl n GLY 67 Ca 0.25 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.30 1cyl n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cyl n ALA 68 N 0.00 0.00 -2.99 4.61 0.00 -1.26 -4.98 120.51 115.89 1cyl n ALA 68 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.06 1cyl n ALA 68 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 1cyl n ALA 68 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1cyl s THR 69 N -2.99 4.32 0.56 0.00 2.01 -1.26 -4.94 115.64 113.34 1cyl s THR 69 Ca 0.00 -0.63 0.34 0.00 0.31 0.00 0.00 61.69 61.71 1cyl s THR 69 Cb 0.00 -3.26 0.50 0.00 0.01 0.00 0.00 72.50 69.75 1cyl s THR 69 CO 0.00 0.01 1.78 0.00 -0.69 0.00 0.00 174.62 175.72 1cyl h ALA 70 N 8.31 2.89 0.02 7.40 0.00 -1.96 0.26 119.26 136.19 1cyl h ALA 70 Ca -0.30 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 1cyl h ALA 70 Cb 1.13 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1cyl h ALA 70 CO 0.62 -1.32 -0.01 0.37 0.00 0.00 0.00 179.25 178.91 1cyl h GLN 71 N 0.00 -0.03 -0.05 0.00 5.75 -1.99 -2.99 115.11 115.80 1cyl h GLN 71 Ca 0.48 0.00 0.02 0.00 -0.15 0.00 0.00 58.65 58.99 1cyl h GLN 71 Cb 2.07 0.01 -0.00 0.00 1.07 0.00 0.00 27.48 30.63 1cyl h GLN 71 CO -0.01 0.49 0.04 1.96 -2.65 0.00 0.00 178.83 178.66 1cyl h GLN 72 N -0.55 0.00 -0.75 1.69 1.08 -0.92 -0.94 115.11 114.72 1cyl h GLN 72 Ca -0.00 0.00 0.09 0.00 -1.45 0.00 0.00 58.65 57.28 1cyl h GLN 72 Cb 0.53 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.91 1cyl h GLN 72 CO 0.00 0.00 0.49 0.35 -0.95 0.00 0.00 178.83 178.73 1cyl h PHE 73 N 0.00 0.74 -0.91 2.96 3.57 -0.99 0.05 116.94 122.36 1cyl h PHE 73 Ca 0.02 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.60 1cyl h PHE 73 Cb 0.10 -0.24 -0.06 0.00 2.79 0.00 0.00 35.95 38.54 1cyl h PHE 73 CO 0.00 0.36 0.59 1.25 -2.23 0.00 0.00 178.31 178.28 1cyl h HIS 74 N 0.71 1.06 0.00 0.41 2.76 -1.18 0.16 115.15 119.07 1cyl h HIS 74 Ca 0.34 0.03 -0.10 0.00 -2.20 0.00 0.00 60.37 58.43 1cyl h HIS 74 Cb 0.39 -0.35 -0.01 0.00 1.55 0.00 0.00 27.41 28.98 1cyl h HIS 74 CO -0.00 0.57 -0.50 -0.09 -1.30 0.00 0.00 177.93 176.61 1cyl h ARG 75 N 1.06 0.00 0.01 5.26 2.43 -1.11 -1.47 114.38 120.57 1cyl h ARG 75 Ca 0.38 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.55 1cyl h ARG 75 Cb 0.14 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 1cyl h ARG 75 CO -0.13 0.50 -0.01 1.25 -1.51 0.00 0.00 179.97 180.07 1cyl h HIS 76 N 0.00 -0.01 0.00 2.20 2.76 -0.00 -2.06 115.15 118.04 1cyl h HIS 76 Ca -0.00 -0.00 -0.11 0.00 -2.20 0.00 0.00 60.37 58.06 1cyl h HIS 76 Cb 0.89 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.84 1cyl h HIS 76 CO 0.00 0.32 -0.51 0.87 -1.30 0.00 0.00 177.93 177.31 1cyl h LYS 77 N -0.35 0.00 -0.17 5.26 1.79 -1.22 -2.23 116.57 119.65 1cyl h LYS 77 Ca -0.00 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.41 1cyl h LYS 77 Cb 0.34 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.99 1cyl h LYS 77 CO 0.00 0.51 -0.11 0.37 -1.08 0.00 0.00 179.45 179.14 1cyl h GLN 78 N 0.00 0.37 -0.05 3.15 4.15 -1.17 0.32 115.11 121.88 1cyl h GLN 78 Ca -0.01 -0.17 -0.02 0.00 0.77 0.00 0.00 58.65 59.22 1cyl h GLN 78 Cb 0.91 -0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.60 1cyl h GLN 78 CO 0.07 0.70 -0.06 -0.07 -1.93 0.00 0.00 178.83 177.54 1cyl h LEU 79 N 0.03 0.14 -1.70 -2.39 3.38 -1.37 -1.72 115.31 111.67 1cyl h LEU 79 Ca 0.03 -0.51 -0.03 0.00 0.09 0.00 0.00 57.88 57.46 1cyl h LEU 79 Cb 0.61 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 1cyl h LEU 79 CO 0.03 0.62 -0.16 0.40 0.09 0.00 0.00 178.44 179.42 1cyl h ILE 80 N -0.35 1.08 0.05 1.22 2.04 -1.47 0.75 117.51 120.84 1cyl h ILE 80 Ca 0.01 -0.55 -0.00 0.00 1.00 0.00 0.00 64.86 65.32 1cyl h ILE 80 Cb 0.59 1.30 0.00 0.00 -0.74 0.00 0.00 36.82 37.96 1cyl h ILE 80 CO 0.01 0.15 -0.02 -0.09 0.00 0.00 0.00 178.15 178.20 1cyl h ARG 81 N 0.00 -0.07 0.00 2.37 2.43 -0.75 0.28 114.38 118.65 1cyl h ARG 81 Ca -0.00 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 1cyl h ARG 81 Cb 0.29 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 1cyl h ARG 81 CO 0.02 0.26 -0.25 0.74 -1.51 0.00 0.00 179.97 179.24 1cyl h PHE 82 N -0.40 0.00 -0.28 2.20 -1.00 -0.83 -1.05 116.94 115.58 1cyl h PHE 82 Ca -0.01 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.71 1cyl h PHE 82 Cb 0.36 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.91 1cyl h PHE 82 CO 0.04 0.25 -0.09 -0.07 -1.61 0.00 0.00 178.31 176.82 1cyl h LEU 83 N 0.00 0.44 -0.00 1.54 3.38 0.12 -0.58 115.31 120.20 1cyl h LEU 83 Ca -0.00 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 1cyl h LEU 83 Cb 0.50 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 1cyl h LEU 83 CO 0.03 0.57 -0.00 0.50 0.09 0.00 0.00 178.44 179.63 1cyl h LYS 84 N 0.43 0.01 -0.61 1.13 3.64 0.31 -0.67 116.57 120.80 1cyl h LYS 84 Ca 0.08 -0.00 0.14 0.00 -1.27 0.00 0.00 60.65 59.60 1cyl h LYS 84 Cb 0.43 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.22 1cyl h LYS 84 CO 0.02 0.55 0.42 0.00 -2.27 0.00 0.00 179.45 178.17 1cyl h ARG 85 N -0.53 0.20 -0.35 1.90 3.08 -1.09 0.22 114.38 117.82 1cyl h ARG 85 Ca 0.00 -0.01 -0.17 0.00 0.07 0.00 0.00 59.98 59.87 1cyl h ARG 85 Cb 0.55 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.55 1cyl h ARG 85 CO 0.00 0.13 -0.45 1.25 -1.07 0.00 0.00 179.97 179.83 1cyl h LEU 86 N 0.20 0.99 -0.34 3.04 5.85 -0.76 -1.63 115.31 122.67 1cyl h LEU 86 Ca 0.29 -0.49 -0.04 0.00 0.84 0.00 0.00 57.88 58.48 1cyl h LEU 86 Cb 0.88 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 1cyl h LEU 86 CO -0.05 1.29 0.07 -0.78 -0.34 0.00 0.00 178.44 178.62 1cyl h ASP 87 N 0.72 0.53 -0.22 1.25 3.58 0.98 -0.95 116.42 122.31 1cyl h ASP 87 Ca 0.04 -0.25 -0.10 0.00 0.42 0.00 0.00 57.03 57.14 1cyl h ASP 87 Cb 1.05 -0.14 -0.00 0.00 1.72 0.00 0.00 39.33 41.96 1cyl h ASP 87 CO 0.11 0.64 -0.27 -0.09 -2.88 0.00 0.00 179.24 176.75 1cyl h ARG 88 N 0.39 0.58 -0.06 0.28 2.43 -1.34 -3.23 114.38 113.43 1cyl h ARG 88 Ca 0.10 -0.32 -0.12 0.00 -0.81 0.00 0.00 59.98 58.84 1cyl h ARG 88 Cb 0.33 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 1cyl h ARG 88 CO 0.00 0.92 -0.50 -0.91 -1.51 0.00 0.00 179.97 177.98 1cyl h ASN 89 N 0.27 0.17 -0.58 -3.80 -0.26 -1.29 -3.14 115.58 106.95 1cyl h ASN 89 Ca 0.03 -0.08 0.08 0.00 -0.56 0.00 0.00 56.30 55.77 1cyl h ASN 89 Cb 0.84 -0.05 -0.06 0.00 -1.06 0.00 0.00 38.32 37.99 1cyl h ASN 89 CO 0.06 0.64 0.24 -0.07 -1.06 0.00 0.00 177.43 177.25 1cyl h LEU 90 N 0.12 0.28 -1.52 1.61 -0.00 -1.18 0.15 115.31 114.77 1cyl h LEU 90 Ca 0.00 0.06 0.26 0.00 -0.00 0.00 0.00 57.88 58.20 1cyl h LEU 90 Cb 0.92 0.02 -0.08 0.00 -0.00 0.00 0.00 40.66 41.53 1cyl h LEU 90 CO 0.07 0.18 0.67 -0.50 -0.00 0.00 0.00 178.44 178.87 1cyl h TRP 91 N 0.45 0.51 -0.19 1.13 4.06 -1.63 0.39 115.95 120.67 1cyl h TRP 91 Ca 0.28 0.02 -0.10 0.00 2.06 0.00 0.00 58.89 61.15 1cyl h TRP 91 Cb 0.29 -0.15 -0.00 0.00 -1.00 0.00 0.00 29.16 28.30 1cyl h TRP 91 CO -0.14 0.07 -0.26 0.78 -3.56 0.00 0.00 178.44 175.33 1cyl h GLY 92 N 0.32 0.55 0.53 1.49 0.00 -0.86 0.07 103.07 105.18 1cyl h GLY 92 Ca 0.55 -0.60 0.11 0.00 0.00 0.00 0.00 47.33 47.39 1cyl h GLY 92 CO -0.21 0.54 0.64 -2.00 0.00 0.00 0.00 176.54 175.50 1cyl h LEU 93 N 0.16 0.95 0.00 3.11 7.12 0.38 -3.27 115.31 123.76 1cyl h LEU 93 Ca 0.02 0.04 0.00 0.00 0.13 0.00 0.00 57.88 58.07 1cyl h LEU 93 Cb 0.83 -0.15 0.00 0.00 -0.53 0.00 0.00 40.66 40.80 1cyl h LEU 93 CO 0.06 0.53 -0.17 0.00 -0.13 0.00 0.00 178.44 178.73 1cyl h ALA 94 N 1.52 0.00 0.00 1.25 0.00 -1.23 -3.48 119.26 117.32 1cyl h ALA 94 Ca 0.48 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1cyl h ALA 94 Cb 0.42 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1cyl h ALA 94 CO -0.24 0.17 0.00 0.41 0.00 0.00 0.00 179.25 179.59 1cyl n GLY 95 N 1.75 1.86 3.78 0.00 0.00 0.01 -5.00 105.19 107.59 1cyl n GLY 95 Ca -0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.77 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 3.36 -0.37 0.99 2.96 -1.26 -5.02 118.68 119.34 1cyl s LEU 96 Ca 0.00 -0.72 0.13 0.00 -0.22 0.00 0.00 54.13 53.32 1cyl s LEU 96 Cb 0.00 -1.88 0.41 0.00 0.50 0.00 0.00 46.19 45.22 1cyl s LEU 96 CO 0.00 -0.38 1.04 -3.20 -1.32 0.00 0.00 176.35 172.49 1cyl n ASN 97 N -1.27 0.03 -2.76 3.68 2.85 -1.26 -4.89 115.26 111.64 1cyl n ASN 97 Ca -0.02 -2.81 -0.09 0.00 -0.11 0.00 0.00 54.58 51.56 1cyl n ASN 97 Cb 0.61 0.13 0.05 0.00 1.24 0.00 0.00 39.78 41.82 1cyl n ASN 97 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1cyl n SER 98 N -0.10 -2.73 -3.21 1.20 2.88 -1.26 -5.03 113.62 105.38 1cyl n SER 98 Ca 0.08 -3.37 -0.26 0.00 -1.33 0.00 0.00 58.87 53.99 1cyl n SER 98 Cb 0.79 1.80 -0.06 0.00 -0.75 0.00 0.00 64.21 65.98 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 -2.69 1.48 -0.47 0.00 0.04 -1.26 -4.60 135.00 127.49 1cyl s PRO 100 Ca 0.43 0.37 -0.05 0.00 0.04 0.00 0.00 61.00 61.79 1cyl s PRO 100 Cb 0.21 -1.87 0.01 0.00 0.04 0.00 0.00 34.50 32.89 1cyl s PRO 100 CO -0.07 -1.98 0.50 0.28 0.04 0.00 0.00 177.00 175.77 1cyl n VAL 101 N -3.63 -8.39 -2.71 -0.36 0.31 -1.26 -5.03 118.33 97.26 1cyl n VAL 101 Ca 0.07 0.15 -0.05 0.00 -0.01 0.00 0.00 64.34 64.50 1cyl n VAL 101 Cb 0.59 -6.28 0.04 0.00 -0.91 0.00 0.00 33.84 27.27 1cyl n VAL 101 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1cyl n LYS 102 N -1.11 0.37 0.00 5.55 5.02 -1.26 -5.02 118.16 121.71 1cyl n LYS 102 Ca 0.04 -1.28 0.00 0.00 -2.02 0.00 0.00 58.31 55.05 1cyl n LYS 102 Cb 0.44 -0.71 0.00 0.00 -0.02 0.00 0.00 35.03 34.74 1cyl n LYS 102 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1cyl n GLU 103 N 2.18 0.00 0.02 1.97 0.00 -1.26 -4.69 120.64 118.86 1cyl n GLU 103 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.26 1cyl n GLU 103 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.08 1cyl n GLU 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1cyl n ALA 104 N 0.00 3.00 -1.87 4.31 0.00 -1.25 -5.00 120.51 119.70 1cyl n ALA 104 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1cyl n ALA 104 Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.49 1cyl n ALA 104 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1cyl n ASN 105 N -2.76 0.00 -4.52 0.00 3.02 -1.26 -5.08 115.26 104.65 1cyl n ASN 105 Ca 0.00 -0.91 -0.25 0.00 -0.03 0.00 0.00 54.58 53.39 1cyl n ASN 105 Cb 0.00 0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.06 1cyl n ASN 105 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1cyl s GLN 106 N -2.20 1.81 0.22 3.52 -0.21 -1.26 -4.26 119.66 117.28 1cyl s GLN 106 Ca 0.00 -2.03 -0.00 0.00 0.02 0.00 0.00 55.36 53.35 1cyl s GLN 106 Cb 0.00 -1.20 0.00 0.00 1.00 0.00 0.00 33.01 32.81 1cyl s GLN 106 CO 0.00 -0.15 0.29 0.45 -2.12 0.00 0.00 175.29 173.76 1cyl n SER 107 N -0.85 -0.81 -4.75 5.90 2.88 -1.20 -4.79 113.62 110.00 1cyl n SER 107 Ca -0.04 -2.25 -0.30 0.00 -1.33 0.00 0.00 58.87 54.94 1cyl n SER 107 Cb 0.67 1.55 -0.07 0.00 -0.75 0.00 0.00 64.21 65.61 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 -2.71 4.37 0.28 2.46 -4.23 -1.26 -1.49 115.64 113.05 1cyl s THR 108 Ca 0.20 -0.82 0.01 0.00 -1.18 0.00 0.00 61.69 59.90 1cyl s THR 108 Cb -0.00 -3.09 0.26 0.00 1.34 0.00 0.00 72.50 71.01 1cyl s THR 108 CO 0.14 0.14 1.73 0.25 -0.54 0.00 0.00 174.62 176.34 1cyl h LEU 109 N 3.39 0.44 -0.72 4.79 7.12 -1.86 0.59 115.31 129.05 1cyl h LEU 109 Ca -0.47 0.12 0.15 0.00 0.13 0.00 0.00 57.88 57.81 1cyl h LEU 109 Cb 1.16 0.07 -0.11 0.00 -0.53 0.00 0.00 40.66 41.26 1cyl h LEU 109 CO 0.64 0.11 0.18 -0.08 -0.13 0.00 0.00 178.44 179.16 1cyl h GLU 110 N 0.52 0.27 0.00 1.25 4.22 -1.94 0.36 114.58 119.25 1cyl h GLU 110 Ca 0.51 -0.02 -0.10 0.00 0.08 0.00 0.00 59.36 59.84 1cyl h GLU 110 Cb 0.85 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 1cyl h GLU 110 CO -0.44 0.18 -0.46 -0.97 -2.18 0.00 0.00 179.01 175.14 1cyl h ASN 111 N 0.28 0.00 -0.48 1.04 -0.73 -0.28 -1.88 115.58 113.53 1cyl h ASN 111 Ca 0.40 0.00 -0.13 0.00 1.87 0.00 0.00 56.30 58.44 1cyl h ASN 111 Cb 0.66 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.24 1cyl h ASN 111 CO -0.49 0.46 -0.19 0.15 -0.37 0.00 0.00 177.43 177.00 1cyl h PHE 112 N 0.00 1.12 -0.05 0.67 3.57 0.13 0.27 116.94 122.65 1cyl h PHE 112 Ca -0.00 -0.26 -0.13 0.00 3.53 0.00 0.00 57.97 61.10 1cyl h PHE 112 Cb 0.88 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 39.34 1cyl h PHE 112 CO 0.00 1.08 -0.58 -0.07 -2.23 0.00 0.00 178.31 176.51 1cyl h LEU 113 N 0.83 0.18 0.01 0.59 3.38 -1.12 0.22 115.31 119.40 1cyl h LEU 113 Ca 0.11 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1cyl h LEU 113 Cb 0.76 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1cyl h LEU 113 CO 0.06 0.72 -0.01 -0.08 0.09 0.00 0.00 178.44 179.23 1cyl h GLU 114 N 0.12 -0.02 0.07 1.13 4.22 -0.99 -0.61 114.58 118.50 1cyl h GLU 114 Ca -0.00 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.43 1cyl h GLU 114 Cb 1.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.31 1cyl h GLU 114 CO 0.09 0.53 -0.03 -0.09 -2.18 0.00 0.00 179.01 177.32 1cyl h ARG 115 N -0.58 -0.09 -0.32 1.92 9.65 -0.46 -0.69 114.38 123.81 1cyl h ARG 115 Ca -0.00 0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1cyl h ARG 115 Cb 0.55 0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 29.14 1cyl h ARG 115 CO 0.00 0.25 0.19 1.25 2.80 0.00 0.00 179.97 184.46 1cyl h LEU 116 N -0.43 0.39 -0.98 3.80 6.46 -0.66 -2.75 115.31 121.15 1cyl h LEU 116 Ca -0.01 -0.07 -0.11 0.00 -0.12 0.00 0.00 57.88 57.58 1cyl h LEU 116 Cb 0.37 -0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 40.19 1cyl h LEU 116 CO 0.02 0.35 -0.50 0.50 -0.62 0.00 0.00 178.44 178.18 1cyl h LYS 117 N 0.41 0.00 -0.91 1.25 3.11 -1.11 -3.10 116.57 116.23 1cyl h LYS 117 Ca 0.12 0.00 0.04 0.00 -2.81 0.00 0.00 60.65 58.00 1cyl h LYS 117 Cb 0.03 0.00 -0.05 0.00 -1.00 0.00 0.00 32.23 31.21 1cyl h LYS 117 CO -0.02 0.50 0.59 1.15 -2.81 0.00 0.00 179.45 178.87 1cyl h THR 118 N 0.00 1.13 -0.37 1.00 2.02 -0.81 -1.65 112.91 114.23 1cyl h THR 118 Ca -0.01 -0.38 -0.14 0.00 0.77 0.00 0.00 66.41 66.66 1cyl h THR 118 Cb 0.90 -0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 1cyl h THR 118 CO 0.07 0.20 -0.32 0.40 0.37 0.00 0.00 175.52 176.24 1cyl h ILE 119 N 1.11 1.28 0.01 3.11 5.03 -1.51 -2.02 117.51 124.52 1cyl h ILE 119 Ca 0.37 -1.47 -0.00 0.00 -0.12 0.00 0.00 64.86 63.64 1cyl h ILE 119 Cb 0.07 1.33 0.00 0.00 -3.03 0.00 0.00 36.82 35.19 1cyl h ILE 119 CO -0.12 0.49 -0.01 0.24 -0.68 0.00 0.00 178.15 178.07 1cyl h MET 120 N 0.69 -0.01 -0.46 2.37 2.86 -1.47 -0.67 114.93 118.23 1cyl h MET 120 Ca 0.07 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.71 1cyl h MET 120 Cb 0.87 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.51 1cyl h MET 120 CO 0.08 0.48 0.27 0.00 1.06 0.00 0.00 176.91 178.80 1cyl h ARG 121 N -0.52 0.62 -0.14 1.72 2.47 -1.38 -0.76 114.38 116.40 1cyl h ARG 121 Ca -0.00 -0.05 -0.13 0.00 -1.26 0.00 0.00 59.98 58.54 1cyl h ARG 121 Cb 0.50 -0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 28.68 1cyl h ARG 121 CO 0.00 0.44 -0.48 0.93 0.56 0.00 0.00 179.97 181.43 1cyl h GLU 122 N 0.63 0.36 -0.20 0.04 5.08 -1.26 0.12 114.58 119.35 1cyl h GLU 122 Ca 0.17 -0.20 -0.09 0.00 -1.00 0.00 0.00 59.36 58.24 1cyl h GLU 122 Cb -0.01 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1cyl h GLU 122 CO -0.03 0.77 -0.23 -0.22 -1.00 0.00 0.00 179.01 178.30 1cyl h LYS 123 N 0.29 0.51 0.00 2.33 3.64 0.24 -2.97 116.57 120.61 1cyl h LYS 123 Ca 0.02 -0.28 -0.09 0.00 -1.27 0.00 0.00 60.65 59.02 1cyl h LYS 123 Cb 0.95 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.78 1cyl h LYS 123 CO 0.08 0.86 -0.44 1.88 -2.27 0.00 0.00 179.45 179.57 1cyl h TYR 124 N 0.18 0.00 -0.69 1.91 -1.99 -1.16 0.34 116.97 115.56 1cyl h TYR 124 Ca 0.03 0.00 0.11 0.00 2.00 0.00 0.00 58.73 60.87 1cyl h TYR 124 Cb 0.78 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 39.47 1cyl h TYR 124 CO 0.08 0.44 0.46 1.03 -0.00 0.00 0.00 178.16 180.17 1cyl h SER 125 N 0.00 0.46 -0.37 3.88 0.87 -0.59 -3.31 113.55 114.48 1cyl h SER 125 Ca -0.00 0.01 -0.28 0.00 -1.23 0.00 0.00 61.79 60.29 1cyl h SER 125 Cb 0.86 -0.08 -0.20 0.00 -0.44 0.00 0.00 62.40 62.54 1cyl h SER 125 CO 0.06 0.27 -0.58 0.29 -0.53 0.00 0.00 176.83 176.33 1cyl n LYS 126 N -4.48 1.05 0.18 2.24 4.76 -1.08 -4.95 118.16 115.89 1cyl n LYS 126 Ca 0.12 -2.21 0.18 0.00 -2.87 0.00 0.00 58.31 53.53 1cyl n LYS 126 Cb 0.39 -0.95 0.75 0.00 -1.84 0.00 0.00 35.03 33.38 1cyl n LYS 126 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1cyl n SER 128 N -3.36 0.00 0.00 0.00 2.88 -1.26 -5.03 113.62 106.85 1cyl n SER 128 Ca 0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 1cyl n SER 128 Cb 0.55 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.01 1cyl n SER 128 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57