#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 1.39 0.59 1.57 -2.85 -1.26 -4.39 119.74 114.80 1cyl s LYS 2 Ca 0.00 -1.71 -0.19 0.00 -1.00 0.00 0.00 55.97 53.07 1cyl s LYS 2 Cb 0.00 -0.69 -0.05 0.00 -2.06 0.00 0.00 37.83 35.03 1cyl s LYS 2 CO 0.00 -0.10 0.96 0.00 0.10 0.00 0.00 175.35 176.31 1cyl s ASP 4 N -1.20 5.01 0.32 0.00 1.01 -1.26 -5.01 116.67 115.54 1cyl s ASP 4 Ca 0.75 -0.56 0.13 0.00 0.71 0.00 0.00 52.55 53.58 1cyl s ASP 4 Cb -0.43 -0.97 0.54 0.00 1.01 0.00 0.00 42.92 43.08 1cyl s ASP 4 CO 0.48 -0.20 1.71 0.40 0.21 0.00 0.00 175.17 177.77 1cyl h ILE 5 N 1.52 1.29 -0.34 0.77 1.08 -2.00 -3.21 117.51 116.62 1cyl h ILE 5 Ca -0.45 -1.73 0.07 0.00 -0.39 0.00 0.00 64.86 62.36 1cyl h ILE 5 Cb 1.25 1.95 -0.07 0.00 -3.07 0.00 0.00 36.82 36.88 1cyl h ILE 5 CO 0.61 0.48 -0.10 0.74 -0.69 0.00 0.00 178.15 179.19 1cyl h THR 6 N 0.00 0.62 0.07 -0.27 2.02 -1.99 -0.79 112.91 112.57 1cyl h THR 6 Ca -0.00 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.17 1cyl h THR 6 Cb 0.91 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 67.94 1cyl h THR 6 CO 0.06 0.00 -0.03 0.17 0.37 0.00 0.00 175.52 176.09 1cyl h LEU 7 N -0.03 -0.08 -1.94 2.58 -0.00 -1.98 -1.55 115.31 112.31 1cyl h LEU 7 Ca 0.17 -0.43 0.25 0.00 -0.00 0.00 0.00 57.88 57.87 1cyl h LEU 7 Cb 0.28 0.02 -0.04 0.00 -0.00 0.00 0.00 40.66 40.92 1cyl h LEU 7 CO -0.37 0.42 0.64 0.06 -0.00 0.00 0.00 178.44 179.18 1cyl h GLN 8 N -0.61 0.04 -0.05 0.17 -0.00 -1.53 0.15 115.11 113.28 1cyl h GLN 8 Ca -0.01 -0.00 -0.04 0.00 -0.00 0.00 0.00 58.65 58.60 1cyl h GLN 8 Cb 0.51 -0.01 0.00 0.00 -0.00 0.00 0.00 27.48 27.98 1cyl h GLN 8 CO 0.02 0.03 -0.11 0.93 -0.00 0.00 0.00 178.83 179.69 1cyl h GLU 9 N 0.04 0.16 0.07 0.06 5.08 -0.91 -3.25 114.58 115.83 1cyl h GLU 9 Ca 0.43 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.68 1cyl h GLU 9 Cb 1.65 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.92 1cyl h GLU 9 CO -0.03 0.71 -0.03 0.82 -1.00 0.00 0.00 179.01 179.48 1cyl h ILE 10 N -0.36 1.02 -1.01 3.13 5.03 0.29 -2.31 117.51 123.31 1cyl h ILE 10 Ca -0.00 -0.30 0.29 0.00 -0.12 0.00 0.00 64.86 64.73 1cyl h ILE 10 Cb 0.71 1.22 -0.04 0.00 -3.03 0.00 0.00 36.82 35.68 1cyl h ILE 10 CO 0.02 0.08 0.76 0.40 -0.68 0.00 0.00 178.15 178.73 1cyl h ILE 11 N -0.23 0.43 0.00 -0.67 2.04 -1.35 0.32 117.51 118.06 1cyl h ILE 11 Ca -0.01 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.85 1cyl h ILE 11 Cb 0.19 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 36.74 1cyl h ILE 11 CO 0.02 0.00 -0.00 0.50 0.00 0.00 0.00 178.15 178.66 1cyl h LYS 12 N 0.00 -0.00 0.02 2.37 3.64 -1.44 -0.21 116.57 120.94 1cyl h LYS 12 Ca 0.48 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.86 1cyl h LYS 12 Cb 1.99 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.81 1cyl h LYS 12 CO -0.01 0.20 -0.01 1.15 -2.27 0.00 0.00 179.45 178.52 1cyl h THR 13 N -0.20 1.38 -0.62 1.00 2.02 -0.47 -1.90 112.91 114.13 1cyl h THR 13 Ca -0.00 -1.25 0.12 0.00 0.77 0.00 0.00 66.41 66.05 1cyl h THR 13 Cb 0.20 2.22 -0.04 0.00 -1.74 0.00 0.00 68.15 68.80 1cyl h THR 13 CO 0.00 0.32 0.42 0.25 0.37 0.00 0.00 175.52 176.88 1cyl h LEU 14 N -0.57 0.29 0.01 2.58 5.85 -0.95 -1.60 115.31 120.92 1cyl h LEU 14 Ca -0.00 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 1cyl h LEU 14 Cb 0.54 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.52 1cyl h LEU 14 CO 0.00 0.17 -0.00 -1.13 -0.34 0.00 0.00 178.44 177.14 1cyl h ASN 15 N 0.32 -0.01 -1.01 1.25 -0.73 -0.94 -3.17 115.58 111.30 1cyl h ASN 15 Ca 0.29 -0.57 0.25 0.00 1.87 0.00 0.00 56.30 58.14 1cyl h ASN 15 Cb 0.71 0.00 -0.09 0.00 0.27 0.00 0.00 38.32 39.22 1cyl h ASN 15 CO -0.07 0.57 0.65 0.28 -0.37 0.00 0.00 177.43 178.49 1cyl h SER 16 N -0.59 0.47 -0.16 1.15 0.02 -0.46 0.20 113.55 114.19 1cyl h SER 16 Ca -0.00 0.07 -0.11 0.00 -0.84 0.00 0.00 61.79 60.92 1cyl h SER 16 Cb 0.58 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.10 1cyl h SER 16 CO 0.00 0.12 -0.25 -0.07 -1.14 0.00 0.00 176.83 175.49 1cyl h LEU 17 N 0.43 0.62 0.04 5.07 3.38 -1.46 0.24 115.31 123.63 1cyl h LEU 17 Ca 0.57 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 58.31 1cyl h LEU 17 Cb 1.38 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1cyl h LEU 17 CO -0.28 0.86 -0.02 0.74 0.09 0.00 0.00 178.44 179.84 1cyl h THR 18 N 0.54 1.31 -0.18 0.22 2.02 -0.62 -2.37 112.91 113.82 1cyl h THR 18 Ca 0.07 -1.21 -0.01 0.00 0.77 0.00 0.00 66.41 66.04 1cyl h THR 18 Cb 0.72 2.10 -0.01 0.00 -1.74 0.00 0.00 68.15 69.22 1cyl h THR 18 CO 0.06 0.30 0.07 -0.33 0.37 0.00 0.00 175.52 175.99 1cyl h GLU 19 N -0.60 0.25 -4.16 6.66 4.39 -1.35 -3.33 114.58 116.44 1cyl h GLU 19 Ca -0.01 -0.02 -0.62 0.00 0.34 0.00 0.00 59.36 59.05 1cyl h GLU 19 Cb 0.54 -0.05 -0.40 0.00 -0.10 0.00 0.00 28.75 28.74 1cyl h GLU 19 CO 0.01 0.21 -0.74 -0.65 -1.16 0.00 0.00 179.01 176.68 1cyl s GLN 20 N -5.16 1.16 -0.57 2.33 -0.21 0.07 -4.99 119.66 112.28 1cyl s GLN 20 Ca -0.06 -1.44 0.03 0.00 0.02 0.00 0.00 55.36 53.91 1cyl s GLN 20 Cb 0.17 -2.62 0.39 0.00 1.00 0.00 0.00 33.01 31.96 1cyl s GLN 20 CO 0.71 -0.93 1.35 0.36 -2.12 0.00 0.00 175.29 174.66 1cyl n LYS 21 N 4.55 3.31 0.00 2.91 2.85 -0.91 -4.11 118.16 126.76 1cyl n LYS 21 Ca -0.00 -4.30 0.03 0.00 -1.05 0.00 0.00 58.31 52.99 1cyl n LYS 21 Cb 0.42 -2.26 0.15 0.00 -0.65 0.00 0.00 35.03 32.69 1cyl n LYS 21 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 1cyl n THR 22 N -0.46 0.58 0.87 0.58 -2.24 -1.26 -3.03 114.28 109.31 1cyl n THR 22 Ca 0.42 0.15 -0.00 0.00 -2.27 0.00 0.00 64.05 62.35 1cyl n THR 22 Cb 0.52 -1.06 0.00 0.00 -2.10 0.00 0.00 70.33 67.69 1cyl n THR 22 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1cyl n LEU 23 N -1.18 3.21 -4.11 3.22 -0.00 -1.26 -4.81 117.00 112.07 1cyl n LEU 23 Ca 0.03 -1.59 -0.44 0.00 -0.00 0.00 0.00 56.01 54.01 1cyl n LEU 23 Cb 0.03 -0.55 0.01 0.00 -0.00 0.00 0.00 43.42 42.91 1cyl n LEU 23 CO 0.04 0.54 -0.20 0.00 -0.00 0.00 0.00 177.39 177.77 1cyl n THR 25 N -4.92 0.00 -2.61 0.00 -2.24 -1.26 -4.18 114.28 99.06 1cyl n THR 25 Ca -0.13 -0.07 -0.09 0.00 -2.27 0.00 0.00 64.05 61.49 1cyl n THR 25 Cb 0.56 -0.25 0.04 0.00 -2.10 0.00 0.00 70.33 68.58 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 0.30 -2.40 0.00 -0.78 2.13 -1.26 -4.82 120.64 113.81 1cyl n GLU 26 Ca 0.01 0.47 0.00 0.00 0.66 0.00 0.00 57.16 58.30 1cyl n GLU 26 Cb 0.44 -4.09 0.00 0.00 0.27 0.00 0.00 31.44 28.06 1cyl n GLU 26 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1cyl n LEU 27 N -2.57 0.00 0.00 4.31 4.77 -1.26 -4.90 117.00 117.35 1cyl n LEU 27 Ca -0.10 -0.14 0.00 0.00 -0.03 0.00 0.00 56.01 55.74 1cyl n LEU 27 Cb 0.58 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.67 1cyl n LEU 27 CO 0.33 0.00 0.00 0.35 -1.33 0.00 0.00 177.39 176.74 1cyl n THR 28 N -1.30 -0.46 -4.01 -5.08 -2.24 -1.26 -4.86 114.28 95.07 1cyl n THR 28 Ca 0.00 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.66 1cyl n THR 28 Cb 0.00 -0.42 -0.03 0.00 -2.10 0.00 0.00 70.33 67.78 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 -0.53 0.00 0.14 2.28 1.01 -0.59 -4.60 120.40 118.10 1cyl s VAL 29 Ca 0.00 -1.44 -0.33 0.00 0.00 0.00 0.00 61.98 60.22 1cyl s VAL 29 Cb 0.00 -2.57 -0.12 0.00 0.00 0.00 0.00 36.38 33.69 1cyl s VAL 29 CO 0.00 0.00 1.72 0.41 0.00 0.00 0.00 175.10 177.23 1cyl n THR 30 N -0.51 0.16 -2.71 3.92 -1.04 -1.26 -2.18 114.28 110.66 1cyl n THR 30 Ca -0.02 -0.03 -0.43 0.00 -2.04 0.00 0.00 64.05 61.54 1cyl n THR 30 Cb 0.61 -1.85 -0.01 0.00 -1.82 0.00 0.00 70.33 67.26 1cyl n THR 30 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1cyl s ASP 31 N 1.82 6.77 -0.15 8.00 2.15 -1.26 -4.65 116.67 129.35 1cyl s ASP 31 Ca 0.80 -2.25 0.00 0.00 0.43 0.00 0.00 52.55 51.53 1cyl s ASP 31 Cb -0.58 -2.51 0.14 0.00 -0.30 0.00 0.00 42.92 39.67 1cyl s ASP 31 CO 0.38 -1.14 1.70 2.30 -0.17 0.00 0.00 175.17 178.23 1cyl n ILE 32 N 5.98 2.07 -2.60 4.11 -6.64 -1.26 -4.01 119.36 117.00 1cyl n ILE 32 Ca 0.38 -0.86 -0.02 0.00 -1.77 0.00 0.00 62.75 60.48 1cyl n ILE 32 Cb 0.47 -1.19 0.05 0.00 -1.44 0.00 0.00 39.64 37.53 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 0.56 1.10 -1.99 4.28 3.72 -1.26 -4.88 117.46 118.99 1cyl n PHE 33 Ca 0.16 -1.75 -0.33 0.00 -0.05 0.00 0.00 57.45 55.48 1cyl n PHE 33 Cb 0.65 -0.23 0.03 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 5.86 -2.99 4.37 0.00 -1.26 -4.72 120.51 121.39 1cyl n ALA 34 Ca 0.12 -4.02 -0.13 0.00 0.00 0.00 0.00 53.44 49.41 1cyl n ALA 34 Cb 0.90 -1.30 -0.03 0.00 0.00 0.00 0.00 19.45 19.02 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 -0.62 -0.01 0.59 0.00 0.00 -1.26 -4.98 120.51 114.23 1cyl n ALA 35 Ca 0.50 -1.91 0.00 0.00 0.00 0.00 0.00 53.44 52.03 1cyl n ALA 35 Cb 0.54 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.80 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 2.62 0.50 0.00 0.00 3.41 -1.26 -3.38 113.62 115.52 1cyl n SER 36 Ca 0.21 -1.09 0.10 0.00 -0.26 0.00 0.00 58.87 57.83 1cyl n SER 36 Cb 0.54 -0.25 0.56 0.00 -0.26 0.00 0.00 64.21 64.80 1cyl n SER 36 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1cyl n LYS 37 N 0.17 0.42 -1.61 4.33 5.02 -1.26 -4.89 118.16 120.35 1cyl n LYS 37 Ca 0.00 0.06 -0.00 0.00 -2.02 0.00 0.00 58.31 56.35 1cyl n LYS 37 Cb 0.13 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.64 1cyl n LYS 37 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1cyl n ASN 38 N -1.19 -2.39 -4.78 4.39 2.85 -1.22 -5.01 115.26 107.90 1cyl n ASN 38 Ca 0.12 -0.01 -0.37 0.00 -0.11 0.00 0.00 54.58 54.22 1cyl n ASN 38 Cb 0.14 -1.28 -0.04 0.00 1.24 0.00 0.00 39.78 39.84 1cyl n ASN 38 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 1cyl s THR 39 N -3.00 3.69 0.22 -0.44 2.01 -1.26 -4.93 115.64 111.93 1cyl s THR 39 Ca 0.00 1.31 -0.29 0.00 0.31 0.00 0.00 61.69 63.02 1cyl s THR 39 Cb -0.00 -3.69 -0.16 0.00 0.01 0.00 0.00 72.50 68.67 1cyl s THR 39 CO 0.05 0.02 0.83 0.35 -0.69 0.00 0.00 174.62 175.19 1cyl n THR 40 N -0.02 1.75 -0.19 -0.82 -2.24 -1.26 -4.70 114.28 106.80 1cyl n THR 40 Ca 0.05 -0.44 -0.02 0.00 -2.27 0.00 0.00 64.05 61.37 1cyl n THR 40 Cb 0.49 -0.52 0.08 0.00 -2.10 0.00 0.00 70.33 68.28 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 1.82 0.46 -0.65 -0.78 3.07 -1.99 0.12 114.58 116.64 1cyl h GLU 41 Ca -0.36 -0.03 0.15 0.00 -0.50 0.00 0.00 59.36 58.63 1cyl h GLU 41 Cb 1.39 -0.10 -0.04 0.00 -0.84 0.00 0.00 28.75 29.16 1cyl h GLU 41 CO 0.61 0.30 0.45 0.87 -1.40 0.00 0.00 179.01 179.84 1cyl h LYS 42 N 0.47 0.21 -0.06 2.33 1.57 -1.87 -1.12 116.57 118.10 1cyl h LYS 42 Ca 0.27 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 59.01 1cyl h LYS 42 Cb 0.25 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.52 1cyl h LYS 42 CO -0.23 0.14 -0.06 0.93 -0.57 0.00 0.00 179.45 179.66 1cyl h GLU 43 N 0.21 0.14 -0.11 3.15 4.39 -1.10 -1.97 114.58 119.30 1cyl h GLU 43 Ca 0.31 -0.08 0.03 0.00 0.34 0.00 0.00 59.36 59.97 1cyl h GLU 43 Cb 0.93 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.58 1cyl h GLU 43 CO -0.06 0.60 0.08 0.00 -1.16 0.00 0.00 179.01 178.48 1cyl h THR 44 N -0.31 0.92 -0.05 1.13 1.03 -0.72 0.15 112.91 115.06 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 0.58 0.94 -0.01 0.00 -1.07 0.00 0.00 68.15 68.59 1cyl h THR 44 CO 0.02 0.00 -0.58 -0.26 -0.01 0.00 0.00 175.52 174.69 1cyl h PHE 45 N 0.00 0.22 0.04 0.00 0.04 -1.02 0.13 116.94 116.34 1cyl h PHE 45 Ca 0.05 -0.08 -0.00 0.00 2.80 0.00 0.00 57.97 60.74 1cyl h PHE 45 Cb 0.22 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.33 1cyl h PHE 45 CO 0.00 0.71 -0.02 0.00 -0.60 0.00 0.00 178.31 178.40 1cyl h ARG 47 N -0.60 -0.09 -0.64 0.00 2.43 -1.44 -2.65 114.38 111.39 1cyl h ARG 47 Ca -0.01 0.01 0.12 0.00 -0.81 0.00 0.00 59.98 59.29 1cyl h ARG 47 Cb 0.54 0.02 -0.09 0.00 -0.42 0.00 0.00 29.97 30.02 1cyl h ARG 47 CO 0.01 0.41 0.16 0.00 -1.51 0.00 0.00 179.97 179.04 1cyl h ALA 48 N 0.17 0.79 -0.25 2.80 0.00 -0.85 0.29 119.26 122.21 1cyl h ALA 48 Ca -0.01 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1cyl h ALA 48 Cb 0.55 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1cyl h ALA 48 CO 0.02 -0.29 0.08 0.00 0.00 0.00 0.00 179.25 179.06 1cyl h ALA 49 N 1.51 1.68 -0.81 0.00 0.00 -1.07 -2.15 119.26 118.41 1cyl h ALA 49 Ca 0.34 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 1cyl h ALA 49 Cb 0.52 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 1cyl h ALA 49 CO -0.42 0.26 0.35 1.15 0.00 0.00 0.00 179.25 180.59 1cyl h THR 50 N 0.35 1.26 0.04 0.00 2.02 -0.06 -2.23 112.91 114.30 1cyl h THR 50 Ca 0.09 -0.80 -0.00 0.00 0.77 0.00 0.00 66.41 66.47 1cyl h THR 50 Cb 0.10 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 66.78 1cyl h THR 50 CO -0.01 0.33 -0.02 -0.37 0.37 0.00 0.00 175.52 175.83 1cyl h VAL 51 N 1.17 1.31 -0.55 3.16 -1.51 -1.06 -2.71 116.25 116.06 1cyl h VAL 51 Ca 0.27 -1.18 0.16 0.00 -1.23 0.00 0.00 66.70 64.72 1cyl h VAL 51 Cb 0.19 2.09 -0.02 0.00 -2.13 0.00 0.00 31.29 31.41 1cyl h VAL 51 CO -0.03 0.30 0.41 -0.07 -1.23 0.00 0.00 177.57 176.95 1cyl h LEU 52 N -0.58 0.00 0.06 4.19 3.38 -1.47 0.14 115.31 121.03 1cyl h LEU 52 Ca -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1cyl h LEU 52 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1cyl h LEU 52 CO 0.01 0.00 -0.03 -0.09 0.09 0.00 0.00 178.44 178.42 1cyl h ARG 53 N 0.00 -0.08 0.00 1.13 2.43 -1.15 -2.88 114.38 113.83 1cyl h ARG 53 Ca 0.26 0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.36 1cyl h ARG 53 Cb 1.08 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.64 1cyl h ARG 53 CO -0.00 0.17 -0.38 -0.56 -1.51 0.00 0.00 179.97 177.68 1cyl h GLN 54 N -0.32 0.00 0.10 0.20 -0.00 -0.83 -3.22 115.11 111.03 1cyl h GLN 54 Ca -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.64 1cyl h GLN 54 Cb 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.76 1cyl h GLN 54 CO 0.01 0.38 -0.05 0.35 -0.00 0.00 0.00 178.83 179.53 1cyl h PHE 55 N 0.00 -0.12 -0.13 0.06 3.57 -0.91 -2.53 116.94 116.88 1cyl h PHE 55 Ca -0.00 -0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.35 1cyl h PHE 55 Cb 0.83 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.60 1cyl h PHE 55 CO 0.00 0.33 -0.53 0.10 -2.23 0.00 0.00 178.31 175.98 1cyl h TYR 56 N -0.63 0.46 -0.02 0.41 -0.00 -1.62 -1.82 116.97 113.74 1cyl h TYR 56 Ca -0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 58.73 58.55 1cyl h TYR 56 Cb 0.51 -0.09 -0.00 0.00 0.00 0.00 0.00 36.73 37.15 1cyl h TYR 56 CO 0.08 0.82 -0.04 1.03 -0.00 0.00 0.00 178.16 180.05 1cyl h SER 57 N 0.29 0.08 0.07 0.10 0.87 -1.64 -2.79 113.55 110.52 1cyl h SER 57 Ca 0.01 -0.53 -0.14 0.00 -1.23 0.00 0.00 61.79 59.89 1cyl h SER 57 Cb 1.02 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.95 1cyl h SER 57 CO 0.09 0.59 -0.49 -0.74 -0.53 0.00 0.00 176.83 175.75 1cyl h HIS 58 N -0.44 0.59 0.00 2.24 2.76 -1.52 -3.10 115.15 115.68 1cyl h HIS 58 Ca 0.00 -0.19 -0.10 0.00 -2.20 0.00 0.00 60.37 57.88 1cyl h HIS 58 Cb 0.58 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 29.40 1cyl h HIS 58 CO 0.11 0.88 -0.48 0.45 -1.30 0.00 0.00 177.93 177.59 1cyl h HIS 59 N 0.38 0.00 -0.85 5.26 -0.00 -1.40 -3.25 115.15 115.29 1cyl h HIS 59 Ca 0.02 0.00 0.13 0.00 -0.00 0.00 0.00 60.37 60.51 1cyl h HIS 59 Cb 1.00 0.00 -0.13 0.00 -0.00 0.00 0.00 27.41 28.28 1cyl h HIS 59 CO 0.04 0.48 -0.35 0.39 -0.00 0.00 0.00 177.93 178.49 1cyl n GLU 60 N -3.88 -0.22 -3.77 2.45 1.02 -1.05 -3.38 120.64 111.81 1cyl n GLU 60 Ca -0.01 1.31 -0.30 0.00 -0.02 0.00 0.00 57.16 58.14 1cyl n GLU 60 Cb 0.51 -1.95 -0.15 0.00 -0.02 0.00 0.00 31.44 29.84 1cyl n GLU 60 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 1cyl s LYS 61 N -5.77 0.93 0.00 3.49 -2.85 -1.23 -4.88 119.74 109.44 1cyl s LYS 61 Ca -0.12 -1.37 0.00 0.00 -1.00 0.00 0.00 55.97 53.48 1cyl s LYS 61 Cb 0.17 -2.22 0.00 0.00 -2.06 0.00 0.00 37.83 33.71 1cyl s LYS 61 CO 0.60 -1.02 0.58 -3.47 0.10 0.00 0.00 175.35 172.15 1cyl n ASP 62 N 4.50 -0.18 -2.27 0.03 -0.08 -1.22 -4.96 116.55 112.37 1cyl n ASP 62 Ca 0.01 -1.16 -0.02 0.00 -1.51 0.00 0.00 54.79 52.11 1cyl n ASP 62 Cb 0.40 0.05 -0.00 0.00 2.34 0.00 0.00 41.12 43.92 1cyl n ASP 62 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 1cyl n THR 63 N 0.00 -0.07 -3.57 5.18 -1.04 -1.26 -4.81 114.28 108.70 1cyl n THR 63 Ca -0.05 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 61.56 1cyl n THR 63 Cb 0.53 -0.25 -0.07 0.00 -1.82 0.00 0.00 70.33 68.72 1cyl n THR 63 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1cyl s ARG 64 N -4.56 2.77 -0.21 -2.82 0.52 -1.26 -4.47 118.95 108.92 1cyl s ARG 64 Ca 0.00 -2.25 0.00 0.00 -0.52 0.00 0.00 55.73 52.96 1cyl s ARG 64 Cb 0.00 -3.96 0.00 0.00 0.52 0.00 0.00 34.95 31.51 1cyl s ARG 64 CO 0.00 -1.21 0.00 0.00 0.02 0.00 0.00 175.30 174.11 1cyl h LEU 66 N 0.00 0.17 0.00 0.00 3.38 -1.90 -3.45 115.31 113.51 1cyl h LEU 66 Ca -0.04 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1cyl h LEU 66 Cb 0.64 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1cyl h LEU 66 CO 0.06 -0.10 0.00 0.61 0.09 0.00 0.00 178.44 179.10 1cyl n GLY 67 N -1.64 0.81 0.48 0.83 0.00 -1.26 -3.92 105.19 100.49 1cyl n GLY 67 Ca 0.37 -0.60 0.35 0.00 0.00 0.00 0.00 46.02 46.14 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 2.76 -1.95 4.61 0.00 -1.96 -3.34 119.26 119.39 1cyl h ALA 68 Ca 0.00 0.08 -0.57 0.00 0.00 0.00 0.00 54.91 54.42 1cyl h ALA 68 Cb 0.00 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 1cyl h ALA 68 CO 0.00 -1.32 0.93 0.99 0.00 0.00 0.00 179.25 179.85 1cyl s THR 69 N -5.27 4.26 0.56 0.00 2.01 -1.26 -4.85 115.64 111.09 1cyl s THR 69 Ca -0.07 1.43 0.34 0.00 0.31 0.00 0.00 61.69 63.70 1cyl s THR 69 Cb 0.28 -4.26 0.50 0.00 0.01 0.00 0.00 72.50 69.03 1cyl s THR 69 CO 0.82 -0.50 1.78 0.00 -0.69 0.00 0.00 174.62 176.03 1cyl h ALA 70 N 8.88 2.88 0.01 7.40 0.00 -1.97 0.33 119.26 136.78 1cyl h ALA 70 Ca -0.24 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 1cyl h ALA 70 Cb 1.08 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1cyl h ALA 70 CO 1.04 -1.31 -0.00 0.37 0.00 0.00 0.00 179.25 179.35 1cyl h GLN 71 N 0.00 -0.01 -0.12 0.00 5.75 -1.89 -2.97 115.11 115.87 1cyl h GLN 71 Ca 0.47 0.00 0.04 0.00 -0.15 0.00 0.00 58.65 59.01 1cyl h GLN 71 Cb 2.06 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 30.61 1cyl h GLN 71 CO -0.00 0.52 0.09 1.96 -2.65 0.00 0.00 178.83 178.74 1cyl h GLN 72 N -0.53 0.00 -0.89 1.69 1.08 -0.69 -1.06 115.11 114.70 1cyl h GLN 72 Ca -0.00 0.00 0.06 0.00 -1.45 0.00 0.00 58.65 57.26 1cyl h GLN 72 Cb 0.53 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.90 1cyl h GLN 72 CO 0.00 0.00 0.58 0.35 -0.95 0.00 0.00 178.83 178.81 1cyl h PHE 73 N 0.00 1.03 -0.91 2.96 3.57 -1.00 -0.53 116.94 122.07 1cyl h PHE 73 Ca 0.06 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.65 1cyl h PHE 73 Cb 0.24 -0.34 -0.06 0.00 2.79 0.00 0.00 35.95 38.58 1cyl h PHE 73 CO 0.00 0.56 0.59 1.25 -2.23 0.00 0.00 178.31 178.48 1cyl h HIS 74 N 1.03 1.06 -0.01 0.41 2.76 -1.20 0.22 115.15 119.42 1cyl h HIS 74 Ca 0.37 0.03 -0.11 0.00 -2.20 0.00 0.00 60.37 58.46 1cyl h HIS 74 Cb 0.15 -0.35 -0.01 0.00 1.55 0.00 0.00 27.41 28.75 1cyl h HIS 74 CO -0.00 0.55 -0.51 0.00 -1.30 0.00 0.00 177.93 176.67 1cyl h ARG 75 N 1.04 0.03 0.00 5.26 2.47 -1.21 -1.66 114.38 120.30 1cyl h ARG 75 Ca 0.39 -0.02 -0.00 0.00 -1.26 0.00 0.00 59.98 59.10 1cyl h ARG 75 Cb 0.20 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.52 1cyl h ARG 75 CO -0.15 0.53 -0.00 1.25 0.56 0.00 0.00 179.97 182.16 1cyl h HIS 76 N 0.02 -0.00 -0.15 3.04 -0.00 0.39 -1.67 115.15 116.78 1cyl h HIS 76 Ca -0.00 -0.00 -0.14 0.00 -0.00 0.00 0.00 60.37 60.22 1cyl h HIS 76 Cb 0.91 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.31 1cyl h HIS 76 CO 0.00 0.26 -0.51 0.87 -0.00 0.00 0.00 177.93 178.55 1cyl h LYS 77 N -0.26 0.43 -0.35 5.26 1.79 -1.24 -2.94 116.57 119.26 1cyl h LYS 77 Ca -0.00 -0.25 -0.17 0.00 -2.18 0.00 0.00 60.65 58.05 1cyl h LYS 77 Cb 0.26 0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 30.93 1cyl h LYS 77 CO 0.00 0.84 -0.43 0.37 -1.08 0.00 0.00 179.45 179.15 1cyl h GLN 78 N 0.34 0.90 0.06 3.15 4.15 -1.24 -1.96 115.11 120.50 1cyl h GLN 78 Ca 0.01 -0.51 -0.00 0.00 0.77 0.00 0.00 58.65 58.92 1cyl h GLN 78 Cb 1.02 0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.74 1cyl h GLN 78 CO 0.09 1.16 -0.03 -0.07 -1.93 0.00 0.00 178.83 178.05 1cyl h LEU 79 N 0.71 -0.06 -0.72 -2.39 3.38 -1.34 -1.46 115.31 113.42 1cyl h LEU 79 Ca 0.04 -0.49 0.10 0.00 0.09 0.00 0.00 57.88 57.62 1cyl h LEU 79 Cb 1.03 0.02 -0.07 0.00 0.09 0.00 0.00 40.66 41.72 1cyl h LEU 79 CO 0.10 0.49 0.36 0.16 0.09 0.00 0.00 178.44 179.64 1cyl h ILE 80 N -0.65 0.83 -0.40 1.22 3.07 -1.61 0.32 117.51 120.30 1cyl h ILE 80 Ca -0.01 -0.21 0.08 0.00 1.55 0.00 0.00 64.86 66.27 1cyl h ILE 80 Cb 0.55 0.18 -0.07 0.00 -0.27 0.00 0.00 36.82 37.21 1cyl h ILE 80 CO 0.01 0.11 -0.05 -0.09 -1.05 0.00 0.00 178.15 177.08 1cyl h ARG 81 N 0.60 0.05 0.00 0.16 2.43 -1.24 0.38 114.38 116.75 1cyl h ARG 81 Ca 0.36 -0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.47 1cyl h ARG 81 Cb 0.40 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.93 1cyl h ARG 81 CO -0.28 0.03 -0.26 0.74 -1.51 0.00 0.00 179.97 178.69 1cyl h PHE 82 N 0.05 0.00 0.08 2.20 -1.00 0.14 -1.41 116.94 117.01 1cyl h PHE 82 Ca 0.20 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.97 1cyl h PHE 82 Cb 0.29 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.85 1cyl h PHE 82 CO -0.31 0.26 -0.04 -0.07 -1.61 0.00 0.00 178.31 176.54 1cyl h LEU 83 N 0.00 -0.09 -1.09 1.54 3.38 0.33 -2.26 115.31 117.12 1cyl h LEU 83 Ca -0.00 -0.12 0.03 0.00 0.09 0.00 0.00 57.88 57.88 1cyl h LEU 83 Cb 0.48 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.20 1cyl h LEU 83 CO 0.03 0.06 0.62 0.50 0.09 0.00 0.00 178.44 179.74 1cyl h LYS 84 N -0.24 1.16 -1.00 1.13 3.64 -0.64 0.32 116.57 120.93 1cyl h LYS 84 Ca -0.01 -0.07 0.15 0.00 -1.27 0.00 0.00 60.65 59.44 1cyl h LYS 84 Cb 0.20 -0.26 -0.09 0.00 -0.41 0.00 0.00 32.23 31.67 1cyl h LYS 84 CO 0.02 0.77 0.62 0.00 -2.27 0.00 0.00 179.45 178.59 1cyl h ARG 85 N 1.19 0.88 -0.02 1.90 3.08 -0.84 0.52 114.38 121.10 1cyl h ARG 85 Ca 0.37 -0.05 -0.13 0.00 0.07 0.00 0.00 59.98 60.24 1cyl h ARG 85 Cb -0.01 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.83 1cyl h ARG 85 CO -0.11 0.58 -0.58 1.25 -1.07 0.00 0.00 179.97 180.05 1cyl h LEU 86 N 0.91 0.08 -0.03 3.04 5.85 0.06 -2.76 115.31 122.46 1cyl h LEU 86 Ca 0.53 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 59.19 1cyl h LEU 86 Cb 0.64 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.64 1cyl h LEU 86 CO -0.31 0.64 -0.02 -0.78 -0.34 0.00 0.00 178.44 177.62 1cyl h ASP 87 N 0.05 0.07 -0.33 1.25 3.58 0.26 0.65 116.42 121.95 1cyl h ASP 87 Ca -0.00 -0.45 -0.05 0.00 0.42 0.00 0.00 57.03 56.95 1cyl h ASP 87 Cb 1.03 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 42.05 1cyl h ASP 87 CO 0.08 0.51 0.02 -0.09 -2.88 0.00 0.00 179.24 176.88 1cyl h ARG 88 N -0.36 0.57 -0.19 0.28 9.65 -1.37 -3.19 114.38 119.77 1cyl h ARG 88 Ca 0.01 -0.17 -0.10 0.00 -1.10 0.00 0.00 59.98 58.61 1cyl h ARG 88 Cb 0.48 -0.06 -0.00 0.00 -1.39 0.00 0.00 29.97 29.01 1cyl h ARG 88 CO 0.01 0.68 -0.28 -0.97 2.80 0.00 0.00 179.97 182.21 1cyl h ASN 89 N 0.38 0.57 -0.91 -3.80 -0.00 -1.55 -3.10 115.58 107.17 1cyl h ASN 89 Ca 0.10 -0.52 0.26 0.00 -0.00 0.00 0.00 56.30 56.14 1cyl h ASN 89 Cb 0.41 -0.16 -0.04 0.00 -0.00 0.00 0.00 38.32 38.54 1cyl h ASN 89 CO 0.01 0.98 0.70 0.25 -0.00 0.00 0.00 177.43 179.37 1cyl h LEU 90 N 0.17 0.00 -0.81 0.34 5.85 -0.88 0.24 115.31 120.23 1cyl h LEU 90 Ca 0.02 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.66 1cyl h LEU 90 Cb 0.86 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.87 1cyl h LEU 90 CO 0.07 0.00 -0.00 -0.50 -0.34 0.00 0.00 178.44 177.66 1cyl h TRP 91 N 0.00 0.96 0.02 1.25 4.06 -1.53 -0.09 115.95 120.62 1cyl h TRP 91 Ca 0.43 -0.15 -0.00 0.00 2.06 0.00 0.00 58.89 61.23 1cyl h TRP 91 Cb 1.82 -0.26 0.00 0.00 -1.00 0.00 0.00 29.16 29.73 1cyl h TRP 91 CO 0.00 0.87 -0.01 0.78 -3.56 0.00 0.00 178.44 176.52 1cyl h GLY 92 N 0.99 -0.03 1.97 1.49 0.00 -0.67 -2.62 103.07 104.20 1cyl h GLY 92 Ca 0.15 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.50 1cyl h GLY 92 CO 0.02 -0.01 0.01 -2.00 0.00 0.00 0.00 176.54 174.56 1cyl h LEU 93 N -0.57 0.00 0.00 3.11 5.85 -1.41 -3.20 115.31 119.08 1cyl h LEU 93 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1cyl h LEU 93 Cb 0.55 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.58 1cyl h LEU 93 CO 0.00 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.10 1cyl n ALA 94 N -2.53 -0.18 0.00 1.25 0.00 -0.05 -4.95 120.51 114.05 1cyl n ALA 94 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1cyl n ALA 94 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.55 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 0.86 0.77 3.74 0.00 0.00 -0.99 -4.66 105.19 104.91 1cyl n GLY 95 Ca 0.00 -0.04 -0.23 0.00 0.00 0.00 0.00 46.02 45.75 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 3.29 -0.36 0.99 2.96 -1.26 -5.06 118.68 119.23 1cyl s LEU 96 Ca 0.00 -0.74 0.13 0.00 -0.22 0.00 0.00 54.13 53.29 1cyl s LEU 96 Cb 0.00 -1.77 0.42 0.00 0.50 0.00 0.00 46.19 45.33 1cyl s LEU 96 CO 0.00 -0.29 1.28 -3.20 -1.32 0.00 0.00 176.35 172.82 1cyl n ASN 97 N -1.15 -0.80 -2.74 3.68 5.15 -1.26 -4.76 115.26 113.38 1cyl n ASN 97 Ca -0.03 -2.44 -0.08 0.00 -0.60 0.00 0.00 54.58 51.43 1cyl n ASN 97 Cb 0.61 0.49 0.06 0.00 -0.53 0.00 0.00 39.78 40.41 1cyl n ASN 97 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1cyl n SER 98 N -0.64 -2.67 -3.20 1.20 7.64 -1.26 -5.04 113.62 109.64 1cyl n SER 98 Ca -0.02 -3.14 -0.26 0.00 1.01 0.00 0.00 58.87 56.46 1cyl n SER 98 Cb 0.84 1.71 -0.06 0.00 -1.01 0.00 0.00 64.21 65.69 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 -2.72 4.26 0.00 0.00 0.04 -1.26 -4.80 135.00 130.52 1cyl s PRO 100 Ca 0.43 1.68 0.00 0.00 0.04 0.00 0.00 61.00 63.15 1cyl s PRO 100 Cb 0.22 -3.72 0.00 0.00 0.04 0.00 0.00 34.50 31.03 1cyl s PRO 100 CO -0.07 -0.65 0.00 1.33 0.04 0.00 0.00 177.00 177.64 1cyl n VAL 101 N 5.20 0.00 -2.71 -0.36 0.24 -1.26 -5.13 118.33 114.32 1cyl n VAL 101 Ca 0.13 0.00 -0.05 0.00 -2.04 0.00 0.00 64.34 62.39 1cyl n VAL 101 Cb 0.45 0.00 0.04 0.00 -1.47 0.00 0.00 33.84 32.86 1cyl n VAL 101 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 1cyl n LYS 102 N 0.00 0.35 -2.28 7.34 0.00 -1.26 -5.07 118.16 117.24 1cyl n LYS 102 Ca 0.00 -1.28 -0.34 0.00 -0.00 0.00 0.00 58.31 56.69 1cyl n LYS 102 Cb 0.00 -0.68 -0.04 0.00 -0.00 0.00 0.00 35.03 34.31 1cyl n LYS 102 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 1cyl s GLU 103 N 0.71 3.06 0.53 -1.58 2.56 -1.26 -4.76 118.70 117.96 1cyl s GLU 103 Ca 0.27 -1.03 0.27 0.00 0.00 0.00 0.00 54.97 54.48 1cyl s GLU 103 Cb 0.13 -5.27 1.42 0.00 2.00 0.00 0.00 34.13 32.41 1cyl s GLU 103 CO -0.11 -3.04 1.97 0.00 -0.56 0.00 0.00 175.26 173.51 1cyl h ALA 104 N 9.84 2.57 -3.00 6.30 0.00 -1.97 -3.42 119.26 129.58 1cyl h ALA 104 Ca 0.22 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1cyl h ALA 104 Cb 0.96 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1cyl h ALA 104 CO 1.31 -0.76 0.00 0.09 0.00 0.00 0.00 179.25 179.89 1cyl n ASN 105 N -4.32 -1.32 -3.63 0.00 3.02 -1.26 -5.02 115.26 102.73 1cyl n ASN 105 Ca 0.12 0.00 -0.15 0.00 -0.03 0.00 0.00 54.58 54.52 1cyl n ASN 105 Cb 0.69 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.79 1cyl n ASN 105 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1cyl s GLN 106 N -1.97 0.82 0.18 3.52 -2.07 -1.26 -4.47 119.66 114.40 1cyl s GLN 106 Ca 0.00 0.52 0.02 0.00 -1.82 0.00 0.00 55.36 54.08 1cyl s GLN 106 Cb 0.00 0.39 -0.01 0.00 -1.09 0.00 0.00 33.01 32.30 1cyl s GLN 106 CO 0.00 -0.18 0.07 -1.13 -1.32 0.00 0.00 175.29 172.73 1cyl n SER 107 N 1.95 0.90 -4.52 12.60 3.41 -0.93 -4.74 113.62 122.29 1cyl n SER 107 Ca -0.16 -1.97 -0.33 0.00 -0.26 0.00 0.00 58.87 56.14 1cyl n SER 107 Cb 0.56 0.49 -0.12 0.00 -0.26 0.00 0.00 64.21 64.88 1cyl n SER 107 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1cyl s THR 108 N -2.27 3.46 0.26 6.66 -4.23 -1.26 -1.55 115.64 116.72 1cyl s THR 108 Ca 0.10 -0.56 -0.01 0.00 -1.18 0.00 0.00 61.69 60.04 1cyl s THR 108 Cb 0.00 -2.41 0.25 0.00 1.34 0.00 0.00 72.50 71.68 1cyl s THR 108 CO 0.07 0.58 1.71 0.25 -0.54 0.00 0.00 174.62 176.70 1cyl h LEU 109 N 5.56 0.29 -0.75 4.79 7.12 -1.89 0.45 115.31 130.87 1cyl h LEU 109 Ca -0.44 0.13 0.15 0.00 0.13 0.00 0.00 57.88 57.85 1cyl h LEU 109 Cb 1.17 0.11 -0.10 0.00 -0.53 0.00 0.00 40.66 41.31 1cyl h LEU 109 CO 0.53 0.06 0.26 -0.08 -0.13 0.00 0.00 178.44 179.08 1cyl h GLU 110 N 0.42 0.36 0.00 1.25 4.81 -1.93 0.47 114.58 119.97 1cyl h GLU 110 Ca 0.48 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.59 1cyl h GLU 110 Cb 0.81 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.09 1cyl h GLU 110 CO -0.47 0.24 -0.43 -0.97 -0.73 0.00 0.00 179.01 176.65 1cyl h ASN 111 N 0.38 0.00 -0.44 1.04 -1.24 -0.58 -1.88 115.58 112.86 1cyl h ASN 111 Ca 0.42 0.00 -0.11 0.00 0.71 0.00 0.00 56.30 57.32 1cyl h ASN 111 Cb 0.68 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.72 1cyl h ASN 111 CO -0.45 0.43 -0.14 0.15 -1.29 0.00 0.00 177.43 176.13 1cyl h PHE 112 N 0.00 1.02 -0.16 0.67 3.04 0.15 0.42 116.94 122.09 1cyl h PHE 112 Ca -0.00 -0.21 -0.17 0.00 3.98 0.00 0.00 57.97 61.56 1cyl h PHE 112 Cb 0.84 -0.25 -0.00 0.00 2.56 0.00 0.00 35.95 39.09 1cyl h PHE 112 CO 0.00 0.99 -0.61 -0.07 -2.02 0.00 0.00 178.31 176.59 1cyl h LEU 113 N 0.81 0.61 0.03 0.59 3.38 -0.97 0.19 115.31 119.95 1cyl h LEU 113 Ca 0.12 -0.35 -0.00 0.00 0.09 0.00 0.00 57.88 57.74 1cyl h LEU 113 Cb 0.68 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1cyl h LEU 113 CO 0.05 1.08 -0.02 -0.08 0.09 0.00 0.00 178.44 179.56 1cyl h GLU 114 N 0.40 -0.04 0.05 1.13 4.57 -1.03 -1.43 114.58 118.23 1cyl h GLU 114 Ca -0.01 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1cyl h GLU 114 Cb 1.17 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.77 1cyl h GLU 114 CO 0.11 0.46 -0.03 -0.09 -1.18 0.00 0.00 179.01 178.29 1cyl h ARG 115 N -0.57 -0.07 -0.59 1.92 9.65 -0.21 -0.55 114.38 123.97 1cyl h ARG 115 Ca -0.00 0.00 0.07 0.00 -1.10 0.00 0.00 59.98 58.95 1cyl h ARG 115 Cb 0.52 0.02 -0.06 0.00 -1.39 0.00 0.00 29.97 29.06 1cyl h ARG 115 CO 0.01 0.16 0.27 1.25 2.80 0.00 0.00 179.97 184.46 1cyl h LEU 116 N -0.29 0.35 -1.17 3.80 5.85 -0.70 -0.73 115.31 122.42 1cyl h LEU 116 Ca -0.01 0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.67 1cyl h LEU 116 Cb 0.26 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 1cyl h LEU 116 CO 0.01 0.23 -0.42 0.50 -0.34 0.00 0.00 178.44 178.42 1cyl h LYS 117 N 0.50 0.00 -0.72 1.25 3.64 -1.08 -2.92 116.57 117.24 1cyl h LYS 117 Ca 0.28 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.68 1cyl h LYS 117 Cb 0.25 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.03 1cyl h LYS 117 CO -0.23 0.42 0.47 1.15 -2.27 0.00 0.00 179.45 178.99 1cyl h THR 118 N 0.00 1.13 0.01 1.00 2.02 0.44 -1.73 112.91 115.78 1cyl h THR 118 Ca -0.00 -0.32 -0.00 0.00 0.77 0.00 0.00 66.41 66.86 1cyl h THR 118 Cb 0.74 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.28 1cyl h THR 118 CO 0.05 0.17 -0.01 0.40 0.37 0.00 0.00 175.52 176.51 1cyl h ILE 119 N 0.93 1.30 -0.99 3.11 5.03 -1.30 -3.04 117.51 122.55 1cyl h ILE 119 Ca 0.28 -0.96 0.15 0.00 -0.12 0.00 0.00 64.86 64.21 1cyl h ILE 119 Cb -0.03 1.95 -0.09 0.00 -3.03 0.00 0.00 36.82 35.62 1cyl h ILE 119 CO -0.09 0.25 0.62 0.24 -0.68 0.00 0.00 178.15 178.49 1cyl h MET 120 N -0.43 0.86 -0.48 2.37 2.86 -1.36 0.36 114.93 119.12 1cyl h MET 120 Ca -0.00 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 1cyl h MET 120 Cb 0.42 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.86 1cyl h MET 120 CO 0.00 0.57 0.26 0.00 1.06 0.00 0.00 176.91 178.81 1cyl h ARG 121 N 0.89 0.66 0.03 1.72 -0.00 -1.27 0.25 114.38 116.65 1cyl h ARG 121 Ca 0.52 -0.06 -0.00 0.00 -0.50 0.00 0.00 59.98 59.93 1cyl h ARG 121 Cb 0.65 -0.14 0.00 0.00 0.00 0.00 0.00 29.97 30.48 1cyl h ARG 121 CO -0.29 0.48 -0.01 0.93 0.00 0.00 0.00 179.97 181.08 1cyl h GLU 122 N 0.67 -0.03 -0.21 0.04 5.08 -0.22 -1.44 114.58 118.46 1cyl h GLU 122 Ca 0.17 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.41 1cyl h GLU 122 Cb 0.02 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1cyl h GLU 122 CO -0.03 0.46 -0.40 -0.22 -1.00 0.00 0.00 179.01 177.83 1cyl h LYS 123 N -0.54 0.47 -0.22 2.33 3.64 -1.01 -2.54 116.57 118.70 1cyl h LYS 123 Ca -0.00 -0.23 -0.11 0.00 -1.27 0.00 0.00 60.65 59.04 1cyl h LYS 123 Cb 0.51 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.33 1cyl h LYS 123 CO 0.01 0.79 -0.28 -0.92 -2.27 0.00 0.00 179.45 176.78 1cyl h TYR 124 N 0.39 0.71 0.00 1.91 3.20 -1.00 -2.49 116.97 119.70 1cyl h TYR 124 Ca 0.04 -0.23 0.00 0.00 3.14 0.00 0.00 58.73 61.68 1cyl h TYR 124 Cb 0.87 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.99 1cyl h TYR 124 CO 0.03 0.94 0.00 0.45 -1.64 0.00 0.00 178.16 177.94 1cyl n SER 125 N -4.34 0.00 -2.69 -2.11 2.88 -0.54 -3.65 113.62 103.17 1cyl n SER 125 Ca -0.05 -1.13 -0.09 0.00 -1.33 0.00 0.00 58.87 56.27 1cyl n SER 125 Cb 0.46 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 63.97 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 -0.85 1.15 -0.01 -1.46 4.81 -0.96 -4.89 118.16 115.94 1cyl n LYS 126 Ca 0.14 -2.86 0.05 0.00 -0.87 0.00 0.00 58.31 54.78 1cyl n LYS 126 Cb 0.07 -0.94 0.29 0.00 0.02 0.00 0.00 35.03 34.47 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 -1.31 3.80 0.00 0.00 1.04 -1.26 -4.07 113.70 111.90 1cyl s SER 128 Ca 0.16 -0.37 0.32 0.00 0.48 0.00 0.00 55.95 56.53 1cyl s SER 128 Cb 0.08 -0.65 1.82 0.00 0.10 0.00 0.00 66.02 67.37 1cyl s SER 128 CO 0.12 0.28 2.18 -0.24 0.98 0.00 0.00 173.24 176.57