#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 0.98 0.32 -1.40 1.02 -1.26 -4.70 119.74 114.70 1cyl s LYS 2 Ca 0.00 -0.47 -0.27 0.00 0.02 0.00 0.00 55.97 55.24 1cyl s LYS 2 Cb 0.00 0.38 -0.13 0.00 -0.52 0.00 0.00 37.83 37.56 1cyl s LYS 2 CO 0.00 -0.44 1.05 0.00 -0.92 0.00 0.00 175.35 175.03 1cyl s ASP 4 N -0.55 5.77 0.32 0.00 1.11 -1.26 -4.99 116.67 117.07 1cyl s ASP 4 Ca 0.59 0.09 0.12 0.00 0.18 0.00 0.00 52.55 53.53 1cyl s ASP 4 Cb -0.65 -1.32 0.53 0.00 1.07 0.00 0.00 42.92 42.55 1cyl s ASP 4 CO 0.60 -0.70 1.71 0.40 1.18 0.00 0.00 175.17 178.36 1cyl h ILE 5 N 0.48 1.34 -0.49 0.77 5.03 -2.02 -3.18 117.51 119.45 1cyl h ILE 5 Ca -0.45 -1.73 0.10 0.00 -0.12 0.00 0.00 64.86 62.66 1cyl h ILE 5 Cb 1.26 1.94 -0.09 0.00 -3.03 0.00 0.00 36.82 36.90 1cyl h ILE 5 CO 0.55 0.49 -0.14 0.74 -0.68 0.00 0.00 178.15 179.11 1cyl h THR 6 N 0.00 0.48 -0.47 -0.27 2.02 -2.00 -1.47 112.91 111.20 1cyl h THR 6 Ca -0.01 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.26 1cyl h THR 6 Cb 0.90 0.48 -0.07 0.00 -1.74 0.00 0.00 68.15 67.72 1cyl h THR 6 CO 0.07 0.00 0.08 0.25 0.37 0.00 0.00 175.52 176.29 1cyl h LEU 7 N -0.02 -0.02 -1.99 2.58 6.46 -1.96 0.27 115.31 120.63 1cyl h LEU 7 Ca 0.23 0.09 0.13 0.00 -0.12 0.00 0.00 57.88 58.21 1cyl h LEU 7 Cb 0.38 0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 40.42 1cyl h LEU 7 CO -0.51 0.02 0.33 1.56 -0.62 0.00 0.00 178.44 179.22 1cyl h GLN 8 N 0.21 0.02 -0.10 1.25 4.20 -1.42 -0.94 115.11 118.33 1cyl h GLN 8 Ca 0.24 -0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.88 1cyl h GLN 8 Cb 0.32 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.09 1cyl h GLN 8 CO -0.32 0.01 -0.18 0.93 -0.67 0.00 0.00 178.83 178.60 1cyl h GLU 9 N 0.02 0.29 0.03 1.46 5.08 -0.12 -3.14 114.58 118.19 1cyl h GLU 9 Ca 0.22 -0.19 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1cyl h GLU 9 Cb 0.86 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.14 1cyl h GLU 9 CO -0.01 0.77 -0.01 0.82 -1.00 0.00 0.00 179.01 179.59 1cyl h ILE 10 N -0.15 1.33 -1.01 3.13 5.03 -0.07 -2.98 117.51 122.78 1cyl h ILE 10 Ca 0.00 -1.15 0.29 0.00 -0.12 0.00 0.00 64.86 63.89 1cyl h ILE 10 Cb 0.76 2.09 -0.04 0.00 -3.03 0.00 0.00 36.82 36.60 1cyl h ILE 10 CO 0.04 0.29 0.76 0.40 -0.68 0.00 0.00 178.15 178.96 1cyl h ILE 11 N -0.54 0.44 -0.11 -0.67 2.04 -1.35 0.27 117.51 117.60 1cyl h ILE 11 Ca -0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 1cyl h ILE 11 Cb 0.51 0.47 -0.00 0.00 -0.74 0.00 0.00 36.82 37.05 1cyl h ILE 11 CO 0.01 0.00 0.04 0.50 0.00 0.00 0.00 178.15 178.70 1cyl h LYS 12 N 0.00 0.17 -0.00 2.37 3.64 -1.47 0.45 116.57 121.73 1cyl h LYS 12 Ca 0.48 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.83 1cyl h LYS 12 Cb 1.99 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 33.79 1cyl h LYS 12 CO -0.01 0.28 -0.00 1.15 -2.27 0.00 0.00 179.45 178.61 1cyl h THR 13 N 0.01 1.43 -0.17 1.00 2.02 -0.57 -3.03 112.91 113.60 1cyl h THR 13 Ca 0.04 -1.26 0.05 0.00 0.77 0.00 0.00 66.41 66.00 1cyl h THR 13 Cb 0.18 2.29 -0.01 0.00 -1.74 0.00 0.00 68.15 68.87 1cyl h THR 13 CO -0.00 0.33 0.13 0.25 0.37 0.00 0.00 175.52 176.60 1cyl h LEU 14 N -0.53 0.00 -0.12 2.58 5.85 -1.07 -2.24 115.31 119.77 1cyl h LEU 14 Ca 0.00 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 1cyl h LEU 14 Cb 0.54 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.57 1cyl h LEU 14 CO 0.00 0.00 -0.12 -1.13 -0.34 0.00 0.00 178.44 176.85 1cyl h ASN 15 N 0.00 0.31 -0.85 1.25 -1.24 -0.82 -3.04 115.58 111.19 1cyl h ASN 15 Ca 0.08 -0.48 0.18 0.00 0.71 0.00 0.00 56.30 56.79 1cyl h ASN 15 Cb 0.34 -0.09 -0.06 0.00 0.73 0.00 0.00 38.32 39.24 1cyl h ASN 15 CO -0.00 0.72 0.56 0.77 -1.29 0.00 0.00 177.43 178.20 1cyl h SER 16 N -0.10 0.41 0.47 1.15 4.64 -1.28 0.72 113.55 119.55 1cyl h SER 16 Ca 0.02 0.03 -0.11 0.00 -0.47 0.00 0.00 61.79 61.27 1cyl h SER 16 Cb 0.63 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.67 1cyl h SER 16 CO 0.03 0.18 -0.50 -0.07 -0.87 0.00 0.00 176.83 175.61 1cyl h LEU 17 N 0.42 0.04 -0.11 5.97 3.38 -1.51 -3.06 115.31 120.43 1cyl h LEU 17 Ca 0.43 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.35 1cyl h LEU 17 Cb 1.04 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.78 1cyl h LEU 17 CO -0.16 0.53 -0.08 0.71 0.09 0.00 0.00 178.44 179.54 1cyl h THR 18 N 0.03 1.33 -0.46 0.22 1.35 -0.78 -2.72 112.91 111.88 1cyl h THR 18 Ca -0.00 -1.16 0.13 0.00 -0.55 0.00 0.00 66.41 64.83 1cyl h THR 18 Cb 0.89 1.86 -0.02 0.00 -1.73 0.00 0.00 68.15 69.15 1cyl h THR 18 CO 0.07 0.33 0.35 -0.08 -0.25 0.00 0.00 175.52 175.93 1cyl h GLU 19 N -0.12 0.00 -4.73 4.72 4.57 -1.48 -3.33 114.58 114.21 1cyl h GLU 19 Ca 0.02 0.00 -0.66 0.00 -1.18 0.00 0.00 59.36 57.54 1cyl h GLU 19 Cb 0.56 0.00 -0.38 0.00 -0.16 0.00 0.00 28.75 28.77 1cyl h GLU 19 CO 0.02 0.00 -0.76 -0.65 -1.18 0.00 0.00 179.01 176.44 1cyl s GLN 20 N -4.96 1.85 0.00 1.92 -0.21 -1.03 -4.96 119.66 112.27 1cyl s GLN 20 Ca -0.05 -1.54 0.00 0.00 0.02 0.00 0.00 55.36 53.79 1cyl s GLN 20 Cb 0.19 -2.99 0.00 0.00 1.00 0.00 0.00 33.01 31.21 1cyl s GLN 20 CO 0.70 -0.74 0.00 1.63 -2.12 0.00 0.00 175.29 174.76 1cyl n LYS 21 N 4.38 0.00 0.00 2.91 4.76 -1.25 -4.70 118.16 124.26 1cyl n LYS 21 Ca -0.06 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.38 1cyl n LYS 21 Cb 0.42 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.61 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 0.00 0.00 -0.46 -0.18 5.66 -1.26 -4.82 114.28 113.22 1cyl n THR 22 Ca 0.00 0.00 0.39 0.00 -3.05 0.00 0.00 64.05 61.39 1cyl n THR 22 Cb 0.00 0.00 0.60 0.00 -1.55 0.00 0.00 70.33 69.38 1cyl n THR 22 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1cyl n LEU 23 N -2.45 0.00 0.00 1.09 -0.00 -1.26 -3.71 117.00 110.68 1cyl n LEU 23 Ca 0.00 0.81 0.00 0.00 -0.00 0.00 0.00 56.01 56.82 1cyl n LEU 23 Cb 0.00 -0.36 0.00 0.00 -0.00 0.00 0.00 43.42 43.06 1cyl n LEU 23 CO 0.00 -0.81 0.00 0.00 -0.00 0.00 0.00 177.39 176.58 1cyl n THR 25 N -0.31 0.00 -1.32 0.00 -2.24 -1.24 -4.63 114.28 104.54 1cyl n THR 25 Ca 0.00 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.65 1cyl n THR 25 Cb 0.00 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.18 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 -0.22 -1.44 0.29 -0.78 0.00 -1.26 -4.73 120.64 112.50 1cyl n GLU 26 Ca 0.00 0.81 0.17 0.00 0.00 0.00 0.00 57.16 58.13 1cyl n GLU 26 Cb 0.00 -5.03 0.91 0.00 0.00 0.00 0.00 31.44 27.32 1cyl n GLU 26 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 1cyl h LEU 27 N 0.00 0.00 -0.80 4.31 3.38 -1.90 -3.42 115.31 116.88 1cyl h LEU 27 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1cyl h LEU 27 Cb 0.94 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1cyl h LEU 27 CO 0.38 0.04 0.00 0.35 0.09 0.00 0.00 178.44 179.30 1cyl n THR 28 N -3.50 -1.02 -4.54 0.22 -2.24 -1.26 -4.83 114.28 97.12 1cyl n THR 28 Ca -0.02 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.50 1cyl n THR 28 Cb 0.16 -1.31 -0.06 0.00 -2.10 0.00 0.00 70.33 67.01 1cyl n THR 28 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1cyl n VAL 29 N 1.47 0.00 -2.39 2.28 0.31 -0.58 -4.71 118.33 114.71 1cyl n VAL 29 Ca 0.00 -2.18 -0.41 0.00 -0.01 0.00 0.00 64.34 61.74 1cyl n VAL 29 Cb 0.00 0.66 -0.03 0.00 -0.91 0.00 0.00 33.84 33.56 1cyl n VAL 29 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1cyl s THR 30 N -2.85 3.72 -1.38 2.52 2.01 -1.26 -1.50 115.64 116.90 1cyl s THR 30 Ca 0.12 1.38 -0.12 0.00 0.31 0.00 0.00 61.69 63.38 1cyl s THR 30 Cb 0.01 -3.88 0.10 0.00 0.01 0.00 0.00 72.50 68.73 1cyl s THR 30 CO 0.09 0.19 2.06 -0.67 -0.69 0.00 0.00 174.62 175.59 1cyl n ASP 31 N 2.94 4.44 -1.83 3.53 -0.08 -1.26 -4.65 116.55 119.64 1cyl n ASP 31 Ca 0.06 -2.96 -0.13 0.00 -1.51 0.00 0.00 54.79 50.25 1cyl n ASP 31 Cb 0.45 -1.58 0.02 0.00 2.34 0.00 0.00 41.12 42.35 1cyl n ASP 31 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 1cyl n ILE 32 N 4.33 2.61 -2.80 5.18 -5.35 -1.26 -4.11 119.36 117.96 1cyl n ILE 32 Ca 0.46 -1.42 0.00 0.00 -0.27 0.00 0.00 62.75 61.53 1cyl n ILE 32 Cb 0.38 -1.42 0.05 0.00 -1.74 0.00 0.00 39.64 36.91 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 0.76 1.07 -0.30 4.28 3.72 -1.26 -4.94 117.46 120.80 1cyl n PHE 33 Ca 0.24 -1.94 -0.03 0.00 -0.05 0.00 0.00 57.45 55.66 1cyl n PHE 33 Cb 0.57 -0.20 0.02 0.00 -0.94 0.00 0.00 39.48 38.93 1cyl n PHE 33 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1cyl h ALA 34 N 2.40 0.04 0.00 4.37 0.00 -2.01 -3.43 119.26 120.64 1cyl h ALA 34 Ca -0.15 0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1cyl h ALA 34 Cb 1.34 0.91 0.00 0.00 0.00 0.00 0.00 17.79 20.05 1cyl h ALA 34 CO 0.17 -0.66 0.00 0.00 0.00 0.00 0.00 179.25 178.76 1cyl n ALA 35 N -3.31 0.00 -3.94 0.00 0.00 -1.26 -4.94 120.51 107.06 1cyl n ALA 35 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.22 1cyl n ALA 35 Cb 0.38 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.75 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 -0.31 0.06 0.00 7.64 -1.26 -4.68 113.62 115.07 1cyl n SER 36 Ca 0.00 -1.01 0.06 0.00 1.01 0.00 0.00 58.87 58.94 1cyl n SER 36 Cb 0.00 -1.27 0.31 0.00 -1.01 0.00 0.00 64.21 62.24 1cyl n SER 36 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1cyl n LYS 37 N -3.61 0.07 0.00 1.43 5.02 -1.26 -4.53 118.16 115.29 1cyl n LYS 37 Ca -0.09 0.46 0.00 0.00 -2.02 0.00 0.00 58.31 56.67 1cyl n LYS 37 Cb 0.46 -1.68 0.00 0.00 -0.02 0.00 0.00 35.03 33.79 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 -1.82 0.00 -3.56 4.39 5.15 -1.26 -5.19 115.26 112.97 1cyl n ASN 38 Ca 0.01 0.00 -0.07 0.00 -0.60 0.00 0.00 54.58 53.92 1cyl n ASN 38 Cb 0.09 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.31 1cyl n ASN 38 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 1cyl s THR 39 N 0.00 0.00 0.54 -0.44 -1.32 -1.26 -5.12 115.64 108.04 1cyl s THR 39 Ca 0.00 0.00 0.06 0.00 -1.21 0.00 0.00 61.69 60.54 1cyl s THR 39 Cb 0.00 -1.00 0.06 0.00 -1.51 0.00 0.00 72.50 70.05 1cyl s THR 39 CO 0.00 0.00 0.53 0.35 -2.21 0.00 0.00 174.62 173.29 1cyl n THR 40 N -0.01 0.00 0.17 5.08 -2.24 -1.26 -4.95 114.28 111.06 1cyl n THR 40 Ca -0.05 -2.00 -0.14 0.00 -2.27 0.00 0.00 64.05 59.60 1cyl n THR 40 Cb 0.60 -0.22 -0.08 0.00 -2.10 0.00 0.00 70.33 68.52 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 0.00 -0.41 -0.51 -0.78 4.39 -2.00 -1.60 114.58 113.68 1cyl h GLU 41 Ca -0.31 0.03 0.15 0.00 0.34 0.00 0.00 59.36 59.57 1cyl h GLU 41 Cb 1.21 0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.93 1cyl h GLU 41 CO 0.47 -0.11 0.37 0.87 -1.16 0.00 0.00 179.01 179.45 1cyl h LYS 42 N -0.70 0.00 -0.05 2.33 1.57 -1.93 -1.20 116.57 116.59 1cyl h LYS 42 Ca -0.04 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 1cyl h LYS 42 Cb 0.48 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.79 1cyl h LYS 42 CO 0.07 0.00 -0.07 1.49 -0.57 0.00 0.00 179.45 180.38 1cyl h GLU 43 N 0.00 0.13 -0.01 3.15 4.57 -1.79 -1.91 114.58 118.72 1cyl h GLU 43 Ca 0.24 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.35 1cyl h GLU 43 Cb 0.98 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.57 1cyl h GLU 43 CO -0.00 0.61 0.01 0.00 -1.18 0.00 0.00 179.01 178.45 1cyl h THR 44 N -0.34 0.94 -0.11 0.32 1.03 -0.28 0.10 112.91 114.58 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 0.60 1.00 -0.01 0.00 -1.07 0.00 0.00 68.15 68.66 1cyl h THR 44 CO 0.02 0.00 -0.54 -0.26 -0.01 0.00 0.00 175.52 174.73 1cyl h PHE 45 N 0.00 0.39 0.05 0.00 0.04 -1.10 0.20 116.94 116.52 1cyl h PHE 45 Ca 0.00 -0.14 -0.00 0.00 2.80 0.00 0.00 57.97 60.64 1cyl h PHE 45 Cb 0.01 -0.08 0.00 0.00 2.20 0.00 0.00 35.95 38.09 1cyl h PHE 45 CO 0.00 0.78 -0.02 0.00 -0.60 0.00 0.00 178.31 178.47 1cyl h ARG 47 N -0.59 -0.12 -0.99 0.00 2.43 -1.39 -2.90 114.38 110.81 1cyl h ARG 47 Ca -0.01 0.01 0.25 0.00 -0.81 0.00 0.00 59.98 59.42 1cyl h ARG 47 Cb 0.53 0.03 -0.08 0.00 -0.42 0.00 0.00 29.97 30.03 1cyl h ARG 47 CO 0.01 0.37 0.66 0.00 -1.51 0.00 0.00 179.97 179.49 1cyl h ALA 48 N 0.12 2.32 -0.24 2.80 0.00 -0.71 0.41 119.26 123.96 1cyl h ALA 48 Ca -0.01 0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 1cyl h ALA 48 Cb 0.54 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1cyl h ALA 48 CO 0.02 -0.67 -0.50 0.00 0.00 0.00 0.00 179.25 178.10 1cyl h ALA 49 N 1.59 0.66 -0.57 0.00 0.00 -1.25 -1.82 119.26 117.87 1cyl h ALA 49 Ca 0.54 -0.49 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1cyl h ALA 49 Cb 1.44 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 1cyl h ALA 49 CO -0.21 0.68 0.05 1.15 0.00 0.00 0.00 179.25 180.92 1cyl h THR 50 N 0.53 1.26 0.03 0.00 2.02 -0.02 -0.97 112.91 115.76 1cyl h THR 50 Ca 0.02 -1.04 -0.00 0.00 0.77 0.00 0.00 66.41 66.16 1cyl h THR 50 Cb 1.06 0.82 0.00 0.00 -1.74 0.00 0.00 68.15 68.29 1cyl h THR 50 CO 0.10 0.38 -0.01 -0.37 0.37 0.00 0.00 175.52 175.99 1cyl h VAL 51 N 0.86 1.34 -0.34 3.16 -1.51 -1.25 -2.26 116.25 116.25 1cyl h VAL 51 Ca 0.17 -1.18 0.10 0.00 -1.23 0.00 0.00 66.70 64.55 1cyl h VAL 51 Cb 0.47 2.12 -0.01 0.00 -2.13 0.00 0.00 31.29 31.74 1cyl h VAL 51 CO 0.02 0.30 0.25 0.17 -1.23 0.00 0.00 177.57 177.08 1cyl h LEU 52 N -0.56 0.00 0.04 4.19 8.10 -1.33 -0.57 115.31 125.19 1cyl h LEU 52 Ca -0.00 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 57.98 1cyl h LEU 52 Cb 0.52 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.74 1cyl h LEU 52 CO 0.01 0.00 -0.02 -0.09 -4.11 0.00 0.00 178.44 174.23 1cyl h ARG 53 N 0.00 -0.05 0.00 0.17 2.43 -0.83 -1.69 114.38 114.40 1cyl h ARG 53 Ca 0.16 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.28 1cyl h ARG 53 Cb 0.67 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.22 1cyl h ARG 53 CO -0.00 0.11 -0.25 -0.56 -1.51 0.00 0.00 179.97 177.76 1cyl h GLN 54 N -0.21 0.00 0.13 0.20 3.07 -0.57 -1.80 115.11 115.93 1cyl h GLN 54 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.73 1cyl h GLN 54 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.75 1cyl h GLN 54 CO 0.01 0.25 -0.06 0.35 0.09 0.00 0.00 178.83 179.47 1cyl h PHE 55 N 0.00 -0.16 -0.16 0.06 3.57 -0.90 -0.38 116.94 118.97 1cyl h PHE 55 Ca -0.00 -0.00 -0.16 0.00 3.53 0.00 0.00 57.97 61.33 1cyl h PHE 55 Cb 0.47 0.05 0.01 0.00 2.79 0.00 0.00 35.95 39.27 1cyl h PHE 55 CO 0.00 0.29 -0.52 0.10 -2.23 0.00 0.00 178.31 175.95 1cyl h TYR 56 N -0.70 0.83 -0.23 0.41 -0.00 -1.30 -2.27 116.97 113.71 1cyl h TYR 56 Ca -0.02 -0.34 -0.16 0.00 0.00 0.00 0.00 58.73 58.21 1cyl h TYR 56 Cb 0.52 -0.14 0.00 0.00 0.00 0.00 0.00 36.73 37.11 1cyl h TYR 56 CO 0.08 1.12 -0.48 0.77 -0.00 0.00 0.00 178.16 179.65 1cyl h SER 57 N 0.30 0.82 0.49 0.10 0.02 -1.44 -3.02 113.55 110.82 1cyl h SER 57 Ca -0.02 -0.55 -0.10 0.00 -0.84 0.00 0.00 61.79 60.27 1cyl h SER 57 Cb 1.15 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.44 1cyl h SER 57 CO 0.11 1.22 -0.49 -0.74 -1.14 0.00 0.00 176.83 175.79 1cyl h HIS 58 N 0.45 0.00 0.16 3.45 -0.00 -1.14 -3.22 115.15 114.84 1cyl h HIS 58 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.37 1cyl h HIS 58 Cb 1.09 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.50 1cyl h HIS 58 CO 0.08 0.49 -0.08 0.45 -0.00 0.00 0.00 177.93 178.87 1cyl h HIS 59 N 0.00 -0.20 -2.42 5.26 -0.00 -1.41 -3.44 115.15 112.94 1cyl h HIS 59 Ca -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.36 1cyl h HIS 59 Cb 0.87 0.07 0.00 0.00 -0.00 0.00 0.00 27.41 28.34 1cyl h HIS 59 CO 0.00 0.22 0.00 0.39 -0.00 0.00 0.00 177.93 178.54 1cyl n GLU 60 N -4.97 -0.66 0.00 2.45 1.02 -1.14 -2.82 120.64 114.52 1cyl n GLU 60 Ca -0.08 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.06 1cyl n GLU 60 Cb 0.26 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.68 1cyl n GLU 60 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1cyl n LYS 61 N -0.44 0.00 -3.95 3.49 2.85 -1.26 -5.05 118.16 113.79 1cyl n LYS 61 Ca 0.00 0.00 -0.38 0.00 -1.05 0.00 0.00 58.31 56.88 1cyl n LYS 61 Cb 0.00 0.00 0.01 0.00 -0.65 0.00 0.00 35.03 34.39 1cyl n LYS 61 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1cyl n ASP 62 N 0.00 -3.57 -0.19 -5.58 2.03 -1.13 -4.66 116.55 103.45 1cyl n ASP 62 Ca 0.00 -1.17 0.29 0.00 0.52 0.00 0.00 54.79 54.43 1cyl n ASP 62 Cb 0.00 -2.42 0.54 0.00 -0.72 0.00 0.00 41.12 38.53 1cyl n ASP 62 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1cyl h THR 63 N -2.21 0.09 -0.11 5.18 1.35 -1.93 -3.13 112.91 112.14 1cyl h THR 63 Ca -0.68 0.00 -0.17 0.00 -0.55 0.00 0.00 66.41 65.01 1cyl h THR 63 Cb 1.39 0.16 -0.06 0.00 -1.73 0.00 0.00 68.15 67.91 1cyl h THR 63 CO 0.54 0.00 1.09 -1.14 -0.25 0.00 0.00 175.52 175.76 1cyl n ARG 64 N -3.42 0.18 0.00 4.72 0.63 -1.26 -0.70 116.66 116.80 1cyl n ARG 64 Ca 0.22 -0.42 0.00 0.00 -0.92 0.00 0.00 57.85 56.73 1cyl n ARG 64 Cb 1.37 -2.09 0.00 0.00 0.45 0.00 0.00 32.46 32.18 1cyl n ARG 64 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1cyl h LEU 66 N 0.00 0.87 0.00 0.00 6.46 -0.85 -3.44 115.31 118.34 1cyl h LEU 66 Ca 0.00 -0.17 0.00 0.00 -0.12 0.00 0.00 57.88 57.59 1cyl h LEU 66 Cb 0.00 -0.23 0.00 0.00 -0.73 0.00 0.00 40.66 39.70 1cyl h LEU 66 CO 0.00 0.80 0.00 0.61 -0.62 0.00 0.00 178.44 179.23 1cyl n GLY 67 N -0.83 -0.11 3.18 3.75 0.00 -0.68 -4.24 105.19 106.27 1cyl n GLY 67 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.89 0.00 -3.64 4.61 0.00 -1.18 -4.54 120.51 113.86 1cyl n ALA 68 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1cyl n ALA 68 Cb 0.00 -0.11 -0.07 0.00 0.00 0.00 0.00 19.45 19.28 1cyl n ALA 68 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1cyl s THR 69 N -3.28 0.00 0.56 0.00 -4.23 -1.26 -4.94 115.64 102.49 1cyl s THR 69 Ca 0.00 0.00 0.34 0.00 -1.18 0.00 0.00 61.69 60.85 1cyl s THR 69 Cb 0.00 -1.00 0.50 0.00 1.34 0.00 0.00 72.50 73.34 1cyl s THR 69 CO 0.00 0.00 1.77 0.00 -0.54 0.00 0.00 174.62 175.85 1cyl h ALA 70 N 6.18 2.89 -0.10 3.99 0.00 -2.00 0.86 119.26 131.07 1cyl h ALA 70 Ca -0.29 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.52 1cyl h ALA 70 Cb 1.20 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1cyl h ALA 70 CO 0.18 -1.32 -0.19 0.37 0.00 0.00 0.00 179.25 178.29 1cyl h GLN 71 N 0.00 0.31 0.00 0.00 5.75 -1.94 -2.96 115.11 116.27 1cyl h GLN 71 Ca 0.47 -0.20 -0.00 0.00 -0.15 0.00 0.00 58.65 58.78 1cyl h GLN 71 Cb 2.08 0.02 -0.00 0.00 1.07 0.00 0.00 27.48 30.66 1cyl h GLN 71 CO -0.00 0.79 -0.00 0.37 -2.65 0.00 0.00 178.83 177.33 1cyl h GLN 72 N -0.12 0.00 -0.32 1.69 -0.00 0.42 -0.93 115.11 115.85 1cyl h GLN 72 Ca 0.01 0.00 0.04 0.00 -0.00 0.00 0.00 58.65 58.70 1cyl h GLN 72 Cb 0.77 0.00 -0.02 0.00 0.00 0.00 0.00 27.48 28.23 1cyl h GLN 72 CO 0.04 0.00 0.22 0.35 0.00 0.00 0.00 178.83 179.44 1cyl h PHE 73 N 0.00 0.25 -0.98 3.99 3.04 -0.90 -0.64 116.94 121.69 1cyl h PHE 73 Ca -0.00 0.01 0.05 0.00 3.98 0.00 0.00 57.97 62.00 1cyl h PHE 73 Cb 0.00 -0.08 -0.06 0.00 2.56 0.00 0.00 35.95 38.37 1cyl h PHE 73 CO 0.00 0.14 0.64 1.25 -2.02 0.00 0.00 178.31 178.32 1cyl h HIS 74 N 0.25 1.19 -0.03 0.41 2.76 -1.22 -0.76 115.15 117.76 1cyl h HIS 74 Ca 0.14 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.32 1cyl h HIS 74 Cb 0.23 -0.40 -0.00 0.00 1.55 0.00 0.00 27.41 28.79 1cyl h HIS 74 CO -0.00 0.66 -0.04 -0.09 -1.30 0.00 0.00 177.93 177.17 1cyl h ARG 75 N 1.21 0.08 -1.01 5.26 1.12 -1.26 -2.78 114.38 116.99 1cyl h ARG 75 Ca 0.40 -0.04 0.26 0.00 -1.11 0.00 0.00 59.98 59.49 1cyl h ARG 75 Cb 0.07 0.00 -0.08 0.00 -0.01 0.00 0.00 29.97 29.96 1cyl h ARG 75 CO -0.14 0.56 0.67 1.25 -3.11 0.00 0.00 179.97 179.20 1cyl h HIS 76 N -0.40 0.52 -0.17 2.20 2.76 -0.59 0.53 115.15 119.99 1cyl h HIS 76 Ca 0.00 0.02 -0.10 0.00 -2.20 0.00 0.00 60.37 58.09 1cyl h HIS 76 Cb 0.55 -0.15 -0.00 0.00 1.55 0.00 0.00 27.41 29.36 1cyl h HIS 76 CO 0.10 0.07 -0.27 1.57 -1.30 0.00 0.00 177.93 178.10 1cyl h LYS 77 N 0.33 0.49 0.01 5.26 5.09 -0.97 -2.21 116.57 124.58 1cyl h LYS 77 Ca 0.55 -0.30 -0.00 0.00 0.09 0.00 0.00 60.65 60.99 1cyl h LYS 77 Cb 1.51 0.03 0.00 0.00 0.10 0.00 0.00 32.23 33.87 1cyl h LYS 77 CO -0.22 0.89 -0.01 0.37 -2.09 0.00 0.00 179.45 178.40 1cyl h GLN 78 N 0.13 -0.01 0.04 0.07 4.15 -0.67 0.31 115.11 119.12 1cyl h GLN 78 Ca 0.02 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.43 1cyl h GLN 78 Cb 0.85 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.54 1cyl h GLN 78 CO 0.06 0.26 -0.02 -0.07 -1.93 0.00 0.00 178.83 177.14 1cyl h LEU 79 N -0.29 -0.04 -1.39 -2.39 4.07 -1.38 -1.54 115.31 112.35 1cyl h LEU 79 Ca -0.00 -0.52 -0.06 0.00 0.08 0.00 0.00 57.88 57.37 1cyl h LEU 79 Cb 0.28 0.01 -0.01 0.00 1.08 0.00 0.00 40.66 42.02 1cyl h LEU 79 CO 0.00 0.52 -0.31 0.40 -1.08 0.00 0.00 178.44 177.97 1cyl h ILE 80 N -0.62 1.18 0.08 1.22 2.04 -1.50 0.67 117.51 120.58 1cyl h ILE 80 Ca -0.00 -1.06 -0.00 0.00 1.00 0.00 0.00 64.86 64.79 1cyl h ILE 80 Cb 0.56 1.58 0.00 0.00 -0.74 0.00 0.00 36.82 38.22 1cyl h ILE 80 CO 0.01 0.30 -0.04 -0.09 0.00 0.00 0.00 178.15 178.33 1cyl h ARG 81 N 0.00 -0.11 0.00 2.37 9.65 -0.90 0.18 114.38 125.57 1cyl h ARG 81 Ca -0.00 0.01 -0.03 0.00 -1.10 0.00 0.00 59.98 58.85 1cyl h ARG 81 Cb 0.56 0.02 -0.00 0.00 -1.39 0.00 0.00 29.97 29.16 1cyl h ARG 81 CO 0.04 0.25 -0.16 0.74 2.80 0.00 0.00 179.97 183.65 1cyl h PHE 82 N -0.48 0.00 -0.18 2.20 -1.00 -1.02 0.66 116.94 117.11 1cyl h PHE 82 Ca -0.01 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.72 1cyl h PHE 82 Cb 0.41 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.96 1cyl h PHE 82 CO 0.05 0.16 -0.08 -0.07 -1.61 0.00 0.00 178.31 176.75 1cyl h LEU 83 N 0.00 0.27 0.01 1.54 3.38 0.12 -0.86 115.31 119.76 1cyl h LEU 83 Ca -0.00 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 1cyl h LEU 83 Cb 0.31 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1cyl h LEU 83 CO 0.02 0.39 -0.00 0.50 0.09 0.00 0.00 178.44 179.44 1cyl h LYS 84 N 0.27 -0.01 -0.66 1.13 3.64 0.11 -1.07 116.57 119.98 1cyl h LYS 84 Ca 0.06 0.00 0.12 0.00 -1.27 0.00 0.00 60.65 59.56 1cyl h LYS 84 Cb 0.33 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.11 1cyl h LYS 84 CO 0.02 0.51 0.44 0.00 -2.27 0.00 0.00 179.45 178.16 1cyl h ARG 85 N -0.54 0.38 -0.21 1.90 3.08 -1.03 0.25 114.38 118.22 1cyl h ARG 85 Ca -0.00 -0.02 -0.14 0.00 0.07 0.00 0.00 59.98 59.89 1cyl h ARG 85 Cb 0.53 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 1cyl h ARG 85 CO 0.00 0.25 -0.45 1.25 -1.07 0.00 0.00 179.97 179.96 1cyl h LEU 86 N 0.39 0.55 -0.22 3.04 5.85 -0.92 -1.82 115.31 122.19 1cyl h LEU 86 Ca 0.31 -0.26 -0.07 0.00 0.84 0.00 0.00 57.88 58.71 1cyl h LEU 86 Cb 0.69 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 1cyl h LEU 86 CO -0.09 0.93 -0.12 -0.78 -0.34 0.00 0.00 178.44 178.03 1cyl h ASP 87 N 0.42 0.49 -0.11 1.25 3.58 0.81 -0.49 116.42 122.37 1cyl h ASP 87 Ca 0.03 -0.42 -0.05 0.00 0.42 0.00 0.00 57.03 57.01 1cyl h ASP 87 Cb 0.95 -0.14 -0.00 0.00 1.72 0.00 0.00 39.33 41.86 1cyl h ASP 87 CO 0.08 0.81 -0.12 -0.09 -2.88 0.00 0.00 179.24 177.04 1cyl h ARG 88 N 0.18 0.27 -0.08 0.28 9.65 -1.33 -3.24 114.38 120.11 1cyl h ARG 88 Ca 0.05 -0.15 -0.12 0.00 -1.10 0.00 0.00 59.98 58.66 1cyl h ARG 88 Cb 0.63 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.20 1cyl h ARG 88 CO 0.04 0.69 -0.49 -0.91 2.80 0.00 0.00 179.97 182.09 1cyl h ASN 89 N -0.14 0.21 -0.57 -3.80 4.21 -1.40 -2.99 115.58 111.10 1cyl h ASN 89 Ca 0.02 -0.10 0.17 0.00 1.21 0.00 0.00 56.30 57.59 1cyl h ASN 89 Cb 0.64 -0.06 -0.02 0.00 -1.12 0.00 0.00 38.32 37.76 1cyl h ASN 89 CO 0.03 0.67 0.43 -0.07 -1.29 0.00 0.00 177.43 177.20 1cyl h LEU 90 N 0.16 0.00 -0.75 1.61 3.38 -1.10 0.11 115.31 118.71 1cyl h LEU 90 Ca 0.01 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 1cyl h LEU 90 Cb 0.93 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 1cyl h LEU 90 CO 0.07 0.00 -0.36 -0.50 0.09 0.00 0.00 178.44 177.75 1cyl h TRP 91 N 0.00 0.63 0.01 1.13 -0.00 -1.62 -1.25 115.95 114.85 1cyl h TRP 91 Ca 0.27 -0.17 -0.00 0.00 -0.00 0.00 0.00 58.89 58.99 1cyl h TRP 91 Cb 1.13 -0.14 0.00 0.00 -0.00 0.00 0.00 29.16 30.15 1cyl h TRP 91 CO 0.00 0.82 -0.01 0.78 -0.00 0.00 0.00 178.44 180.04 1cyl h GLY 92 N 1.06 -0.02 0.94 1.49 0.00 -0.95 -1.51 103.07 104.08 1cyl h GLY 92 Ca 0.05 0.01 0.02 0.00 0.00 0.00 0.00 47.33 47.41 1cyl h GLY 92 CO 0.07 -0.01 0.62 -2.00 0.00 0.00 0.00 176.54 175.22 1cyl h LEU 93 N -0.58 1.05 0.16 3.11 5.85 -1.44 -3.22 115.31 120.25 1cyl h LEU 93 Ca -0.00 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 1cyl h LEU 93 Cb 0.56 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.34 1cyl h LEU 93 CO 0.00 0.74 -0.08 0.00 -0.34 0.00 0.00 178.44 178.77 1cyl h ALA 94 N 1.37 -0.59 0.00 1.25 0.00 -1.24 -3.48 119.26 116.56 1cyl h ALA 94 Ca 0.36 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1cyl h ALA 94 Cb -0.07 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1cyl h ALA 94 CO -0.10 -0.57 0.00 0.41 0.00 0.00 0.00 179.25 178.99 1cyl n GLY 95 N 0.27 1.97 3.74 0.00 0.00 -0.57 -4.83 105.19 105.77 1cyl n GLY 95 Ca -0.03 0.00 -0.23 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 3.25 -0.29 0.99 2.96 -1.26 -5.04 118.68 119.30 1cyl s LEU 96 Ca 0.00 -0.80 0.20 0.00 -0.22 0.00 0.00 54.13 53.31 1cyl s LEU 96 Cb 0.00 -1.72 0.48 0.00 0.50 0.00 0.00 46.19 45.44 1cyl s LEU 96 CO 0.00 -0.33 1.25 -3.20 -1.32 0.00 0.00 176.35 172.76 1cyl n ASN 97 N -1.17 0.57 -3.22 3.68 5.15 -1.26 -4.78 115.26 114.23 1cyl n ASN 97 Ca -0.03 -2.09 -0.24 0.00 -0.60 0.00 0.00 54.58 51.63 1cyl n ASN 97 Cb 0.61 -0.10 -0.06 0.00 -0.53 0.00 0.00 39.78 39.71 1cyl n ASN 97 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 1cyl n SER 98 N -0.91 1.47 -3.12 1.20 3.41 -1.26 -4.97 113.62 109.44 1cyl n SER 98 Ca -0.01 -3.00 -0.19 0.00 -0.26 0.00 0.00 58.87 55.41 1cyl n SER 98 Cb 0.83 -0.64 -0.05 0.00 -0.26 0.00 0.00 64.21 64.09 1cyl n SER 98 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1cyl n PRO 100 N 2.34 -3.16 -3.32 0.00 -0.04 -1.26 -4.17 135.00 125.39 1cyl n PRO 100 Ca 0.22 -1.78 -0.43 0.00 -0.04 0.00 0.00 63.50 61.48 1cyl n PRO 100 Cb 0.53 -1.66 -0.09 0.00 -0.04 0.00 0.00 33.50 32.25 1cyl n PRO 100 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1cyl s VAL 101 N -3.02 5.09 -0.45 0.52 -7.23 -1.26 -4.93 120.40 109.12 1cyl s VAL 101 Ca 0.72 -0.32 0.09 0.00 -1.81 0.00 0.00 61.98 60.66 1cyl s VAL 101 Cb -0.07 -4.03 0.34 0.00 0.56 0.00 0.00 36.38 33.18 1cyl s VAL 101 CO 0.55 -0.41 0.78 1.17 -0.31 0.00 0.00 175.10 176.89 1cyl n LYS 102 N 5.60 1.71 -3.52 4.82 3.00 -1.26 -5.02 118.16 123.48 1cyl n LYS 102 Ca -0.07 -3.87 -0.15 0.00 -0.00 0.00 0.00 58.31 54.22 1cyl n LYS 102 Cb 0.47 -1.86 -0.12 0.00 0.00 0.00 0.00 35.03 33.53 1cyl n LYS 102 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1cyl s GLU 103 N -2.67 0.21 0.42 1.64 0.41 -1.26 -5.01 118.70 112.43 1cyl s GLU 103 Ca 0.42 0.45 0.10 0.00 -0.41 0.00 0.00 54.97 55.53 1cyl s GLU 103 Cb 0.31 -0.68 0.90 0.00 -1.78 0.00 0.00 34.13 32.88 1cyl s GLU 103 CO -0.10 -0.53 2.02 0.00 -0.49 0.00 0.00 175.26 176.16 1cyl h ALA 104 N 8.28 1.68 -1.39 5.21 0.00 -1.98 -3.44 119.26 127.62 1cyl h ALA 104 Ca -0.17 -0.09 -0.42 0.00 0.00 0.00 0.00 54.91 54.23 1cyl h ALA 104 Cb 1.14 -0.10 0.22 0.00 0.00 0.00 0.00 17.79 19.05 1cyl h ALA 104 CO 0.23 0.25 -1.55 0.09 0.00 0.00 0.00 179.25 178.28 1cyl n ASN 105 N -4.41 -2.65 -3.87 0.00 5.03 -1.26 -5.02 115.26 103.08 1cyl n ASN 105 Ca 0.00 -0.11 -0.09 0.00 0.87 0.00 0.00 54.58 55.25 1cyl n ASN 105 Cb 0.15 -0.75 -0.07 0.00 -1.02 0.00 0.00 39.78 38.08 1cyl n ASN 105 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 1cyl s GLN 106 N -2.88 0.91 0.14 3.52 -0.21 -1.26 -4.38 119.66 115.49 1cyl s GLN 106 Ca 0.45 -1.00 0.03 0.00 0.02 0.00 0.00 55.36 54.86 1cyl s GLN 106 Cb -0.02 0.35 -0.01 0.00 1.00 0.00 0.00 33.01 34.32 1cyl s GLN 106 CO 0.60 -0.30 0.12 0.45 -2.12 0.00 0.00 175.29 174.04 1cyl n SER 107 N -0.09 -0.32 -4.54 5.90 2.88 -0.56 -4.58 113.62 112.30 1cyl n SER 107 Ca -0.14 -1.92 -0.29 0.00 -1.33 0.00 0.00 58.87 55.19 1cyl n SER 107 Cb 0.63 0.73 -0.10 0.00 -0.75 0.00 0.00 64.21 64.71 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 -2.58 3.14 0.17 2.46 -4.23 -1.26 -1.52 115.64 111.82 1cyl s THR 108 Ca 0.17 -1.44 -0.14 0.00 -1.18 0.00 0.00 61.69 59.09 1cyl s THR 108 Cb 0.01 -2.48 0.05 0.00 1.34 0.00 0.00 72.50 71.42 1cyl s THR 108 CO 0.12 0.06 1.79 0.25 -0.54 0.00 0.00 174.62 176.29 1cyl h LEU 109 N 3.49 0.36 -0.75 4.79 7.12 -1.84 0.77 115.31 129.24 1cyl h LEU 109 Ca -0.49 0.02 0.15 0.00 0.13 0.00 0.00 57.88 57.69 1cyl h LEU 109 Cb 1.18 -0.05 -0.10 0.00 -0.53 0.00 0.00 40.66 41.16 1cyl h LEU 109 CO 0.50 0.25 0.28 -0.08 -0.13 0.00 0.00 178.44 179.26 1cyl h GLU 110 N 0.48 0.39 0.00 1.25 4.81 -1.92 0.44 114.58 120.03 1cyl h GLU 110 Ca 0.20 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.31 1cyl h GLU 110 Cb 0.09 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1cyl h GLU 110 CO -0.13 0.26 -0.43 -0.97 -0.73 0.00 0.00 179.01 177.01 1cyl h ASN 111 N 0.40 0.00 -0.58 1.04 -0.73 -1.64 -1.94 115.58 112.13 1cyl h ASN 111 Ca 0.42 0.00 -0.10 0.00 1.87 0.00 0.00 56.30 58.48 1cyl h ASN 111 Cb 0.66 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.23 1cyl h ASN 111 CO -0.43 0.43 -0.04 0.15 -0.37 0.00 0.00 177.43 177.17 1cyl h PHE 112 N 0.00 1.17 -0.17 0.67 3.57 0.21 0.50 116.94 122.89 1cyl h PHE 112 Ca -0.00 -0.22 -0.17 0.00 3.53 0.00 0.00 57.97 61.11 1cyl h PHE 112 Cb 0.85 -0.30 -0.00 0.00 2.79 0.00 0.00 35.95 39.28 1cyl h PHE 112 CO 0.00 1.04 -0.59 -0.07 -2.23 0.00 0.00 178.31 176.46 1cyl h LEU 113 N 0.96 0.62 0.04 0.59 3.38 -1.04 0.17 115.31 120.03 1cyl h LEU 113 Ca 0.16 -0.35 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 1cyl h LEU 113 Cb 0.60 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1cyl h LEU 113 CO 0.04 1.07 -0.02 -0.08 0.09 0.00 0.00 178.44 179.54 1cyl h GLU 114 N 0.41 -0.05 0.07 1.13 4.22 -1.02 -0.84 114.58 118.51 1cyl h GLU 114 Ca -0.00 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.44 1cyl h GLU 114 Cb 1.15 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1cyl h GLU 114 CO 0.11 0.45 -0.04 -0.09 -2.18 0.00 0.00 179.01 177.27 1cyl h ARG 115 N -0.59 -0.10 -0.85 1.92 9.65 -0.05 -1.28 114.38 123.08 1cyl h ARG 115 Ca -0.01 0.01 0.05 0.00 -1.10 0.00 0.00 59.98 58.93 1cyl h ARG 115 Cb 0.53 0.02 -0.05 0.00 -1.39 0.00 0.00 29.97 29.08 1cyl h ARG 115 CO 0.01 0.09 0.55 1.25 2.80 0.00 0.00 179.97 184.67 1cyl h LEU 116 N -0.27 0.86 -0.62 3.80 6.46 -0.73 -2.03 115.31 122.78 1cyl h LEU 116 Ca -0.01 -0.00 -0.14 0.00 -0.12 0.00 0.00 57.88 57.61 1cyl h LEU 116 Cb 0.23 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 39.96 1cyl h LEU 116 CO 0.02 0.57 -0.49 0.50 -0.62 0.00 0.00 178.44 178.42 1cyl h LYS 117 N 0.98 0.51 -0.17 1.25 3.64 -0.77 -2.98 116.57 119.03 1cyl h LYS 117 Ca 0.36 -0.29 0.05 0.00 -1.27 0.00 0.00 60.65 59.49 1cyl h LYS 117 Cb 0.15 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 1cyl h LYS 117 CO -0.12 0.88 0.13 0.00 -2.27 0.00 0.00 179.45 178.07 1cyl h THR 118 N 0.40 0.85 0.03 1.00 1.03 -0.48 -1.65 112.91 114.09 1cyl h THR 118 Ca 0.02 0.00 -0.00 0.00 -0.01 0.00 0.00 66.41 66.42 1cyl h THR 118 Cb 1.00 0.91 0.00 0.00 -1.07 0.00 0.00 68.15 68.99 1cyl h THR 118 CO 0.09 0.00 -0.01 0.40 -0.01 0.00 0.00 175.52 175.99 1cyl h ILE 119 N 0.00 1.34 -0.55 0.00 1.08 -1.46 -2.76 117.51 115.15 1cyl h ILE 119 Ca 0.08 -1.17 -0.05 0.00 -0.39 0.00 0.00 64.86 63.33 1cyl h ILE 119 Cb 0.33 2.12 -0.03 0.00 -3.07 0.00 0.00 36.82 36.17 1cyl h ILE 119 CO -0.00 0.30 0.16 0.24 -0.69 0.00 0.00 178.15 178.16 1cyl h MET 120 N -0.55 0.83 -0.36 2.37 2.86 -1.50 -1.44 114.93 117.14 1cyl h MET 120 Ca -0.00 -0.16 -0.03 0.00 -2.06 0.00 0.00 59.70 57.44 1cyl h MET 120 Cb 0.51 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.02 1cyl h MET 120 CO 0.01 0.73 0.08 0.00 1.06 0.00 0.00 176.91 178.79 1cyl h ARG 121 N 0.81 0.53 0.03 1.72 -0.00 -1.34 0.26 114.38 116.39 1cyl h ARG 121 Ca 0.18 -0.09 -0.00 0.00 -0.50 0.00 0.00 59.98 59.57 1cyl h ARG 121 Cb 0.26 -0.09 0.00 0.00 0.00 0.00 0.00 29.97 30.14 1cyl h ARG 121 CO -0.01 0.50 -0.02 0.93 0.00 0.00 0.00 179.97 181.38 1cyl h GLU 122 N 0.52 -0.04 -0.46 0.04 5.08 -0.99 0.24 114.58 118.97 1cyl h GLU 122 Ca 0.12 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.35 1cyl h GLU 122 Cb 0.22 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1cyl h GLU 122 CO -0.00 0.40 -0.25 -0.22 -1.00 0.00 0.00 179.01 177.94 1cyl h LYS 123 N -0.50 0.97 0.00 2.33 1.63 -1.14 -2.56 116.57 117.30 1cyl h LYS 123 Ca -0.00 -0.43 -0.11 0.00 -0.85 0.00 0.00 60.65 59.26 1cyl h LYS 123 Cb 0.46 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.06 1cyl h LYS 123 CO 0.01 1.10 -0.51 -0.92 -3.45 0.00 0.00 179.45 175.68 1cyl h TYR 124 N 0.82 0.00 -0.44 1.91 3.20 -0.99 -2.72 116.97 118.76 1cyl h TYR 124 Ca 0.10 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.97 1cyl h TYR 124 Cb 0.83 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.10 1cyl h TYR 124 CO 0.05 0.51 0.00 0.45 -1.64 0.00 0.00 178.16 177.53 1cyl n SER 125 N -3.91 4.56 -3.06 -2.11 2.88 0.07 -4.39 113.62 107.66 1cyl n SER 125 Ca -0.01 -2.69 -0.19 0.00 -1.33 0.00 0.00 58.87 54.64 1cyl n SER 125 Cb 0.53 -0.64 -0.03 0.00 -0.75 0.00 0.00 64.21 63.32 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 0.48 1.56 0.00 -1.46 4.81 -0.98 -4.87 118.16 117.70 1cyl n LYS 126 Ca 0.21 -3.73 0.11 0.00 -0.87 0.00 0.00 58.31 54.04 1cyl n LYS 126 Cb 0.96 -1.80 0.68 0.00 0.02 0.00 0.00 35.03 34.89 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 -1.94 -0.21 0.00 0.00 0.15 -1.26 -4.26 113.70 106.18 1cyl s SER 128 Ca 0.34 0.20 0.00 0.00 0.70 0.00 0.00 55.95 57.20 1cyl s SER 128 Cb 0.16 0.18 0.00 0.00 -1.71 0.00 0.00 66.02 64.64 1cyl s SER 128 CO 0.26 -0.21 0.10 -0.24 1.20 0.00 0.00 173.24 174.36