#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cyl n LYS 2 N 0.00 -0.55 -4.15 -0.41 5.02 -1.26 -4.44 118.16 112.37 1cyl n LYS 2 Ca 0.00 -0.15 -0.22 0.00 -2.02 0.00 0.00 58.31 55.91 1cyl n LYS 2 Cb 0.00 -1.27 -0.05 0.00 -0.02 0.00 0.00 35.03 33.69 1cyl n LYS 2 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1cyl s ASP 4 N -3.77 5.34 0.33 0.00 1.01 -1.26 -5.01 116.67 113.30 1cyl s ASP 4 Ca 0.32 -0.43 0.13 0.00 0.71 0.00 0.00 52.55 53.28 1cyl s ASP 4 Cb -0.08 -1.10 0.55 0.00 1.01 0.00 0.00 42.92 43.31 1cyl s ASP 4 CO 0.24 -0.25 1.71 0.40 0.21 0.00 0.00 175.17 177.48 1cyl h ILE 5 N 1.34 1.28 -0.90 0.77 1.08 -2.00 -3.16 117.51 115.92 1cyl h ILE 5 Ca -0.46 -1.71 0.19 0.00 -0.39 0.00 0.00 64.86 62.49 1cyl h ILE 5 Cb 1.25 1.94 -0.11 0.00 -3.07 0.00 0.00 36.82 36.83 1cyl h ILE 5 CO 0.59 0.48 0.44 0.74 -0.69 0.00 0.00 178.15 179.72 1cyl h THR 6 N 0.00 0.59 0.02 -0.27 2.02 -1.98 -0.25 112.91 113.03 1cyl h THR 6 Ca -0.00 -0.18 -0.00 0.00 0.77 0.00 0.00 66.41 66.99 1cyl h THR 6 Cb 0.90 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.33 1cyl h THR 6 CO 0.06 0.10 -0.01 0.25 0.37 0.00 0.00 175.52 176.29 1cyl h LEU 7 N 0.53 -0.02 -1.98 2.58 5.85 -1.91 -2.15 115.31 118.22 1cyl h LEU 7 Ca 0.53 -0.50 0.28 0.00 0.84 0.00 0.00 57.88 59.03 1cyl h LEU 7 Cb 0.91 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.91 1cyl h LEU 7 CO -0.45 0.50 0.72 1.56 -0.34 0.00 0.00 178.44 180.43 1cyl h GLN 8 N -0.55 0.00 -0.03 1.25 4.20 -1.39 0.23 115.11 118.82 1cyl h GLN 8 Ca -0.00 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 1cyl h GLN 8 Cb 0.52 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.30 1cyl h GLN 8 CO 0.00 0.00 -0.05 0.93 -0.67 0.00 0.00 178.83 179.04 1cyl h GLU 9 N 0.00 0.10 0.00 1.46 5.08 -0.67 -2.77 114.58 117.77 1cyl h GLU 9 Ca 0.46 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.74 1cyl h GLU 9 Cb 1.89 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 31.14 1cyl h GLU 9 CO -0.00 0.61 -0.12 0.82 -1.00 0.00 0.00 179.01 179.32 1cyl h ILE 10 N -0.41 1.07 0.00 3.13 5.03 0.04 -0.67 117.51 125.69 1cyl h ILE 10 Ca 0.00 -0.41 -0.11 0.00 -0.12 0.00 0.00 64.86 64.22 1cyl h ILE 10 Cb 0.60 1.22 -0.02 0.00 -3.03 0.00 0.00 36.82 35.60 1cyl h ILE 10 CO 0.01 0.12 -0.54 0.40 -0.68 0.00 0.00 178.15 177.46 1cyl h ILE 11 N 0.00 1.35 0.00 -0.67 2.04 -1.20 0.44 117.51 119.48 1cyl h ILE 11 Ca -0.00 -1.86 -0.00 0.00 1.00 0.00 0.00 64.86 64.00 1cyl h ILE 11 Cb 0.21 2.01 0.00 0.00 -0.74 0.00 0.00 36.82 38.30 1cyl h ILE 11 CO 0.02 0.53 -0.00 0.50 0.00 0.00 0.00 178.15 179.19 1cyl h LYS 12 N 0.00 -0.00 -0.25 2.37 3.64 -0.84 0.12 116.57 121.61 1cyl h LYS 12 Ca -0.01 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.22 1cyl h LYS 12 Cb 0.97 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.78 1cyl h LYS 12 CO 0.07 0.49 -0.49 1.15 -2.27 0.00 0.00 179.45 178.40 1cyl h THR 13 N -0.50 1.30 0.00 1.00 2.02 -1.42 -2.40 112.91 112.91 1cyl h THR 13 Ca -0.00 -1.70 -0.09 0.00 0.77 0.00 0.00 66.41 65.39 1cyl h THR 13 Cb 0.49 1.63 -0.01 0.00 -1.74 0.00 0.00 68.15 68.52 1cyl h THR 13 CO 0.00 0.54 -0.45 0.25 0.37 0.00 0.00 175.52 176.23 1cyl h LEU 14 N 0.54 0.00 0.01 2.58 5.85 -0.93 -3.00 115.31 120.35 1cyl h LEU 14 Ca 0.02 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 1cyl h LEU 14 Cb 1.05 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.08 1cyl h LEU 14 CO 0.10 0.45 -0.00 -1.13 -0.34 0.00 0.00 178.44 177.51 1cyl h ASN 15 N 0.00 -0.01 -0.44 1.25 -0.73 -0.49 -3.26 115.58 111.90 1cyl h ASN 15 Ca -0.00 -0.56 0.06 0.00 1.87 0.00 0.00 56.30 57.67 1cyl h ASN 15 Cb 0.81 0.00 -0.05 0.00 0.27 0.00 0.00 38.32 39.35 1cyl h ASN 15 CO 0.06 0.56 0.13 0.28 -0.37 0.00 0.00 177.43 178.09 1cyl h SER 16 N -0.58 0.11 -0.79 1.15 0.02 -1.40 -1.06 113.55 111.01 1cyl h SER 16 Ca -0.00 0.06 0.23 0.00 -0.84 0.00 0.00 61.79 61.23 1cyl h SER 16 Cb 0.57 0.06 -0.03 0.00 0.14 0.00 0.00 62.40 63.13 1cyl h SER 16 CO 0.00 0.10 0.58 -0.07 -1.14 0.00 0.00 176.83 176.30 1cyl h LEU 17 N 0.29 0.00 -0.85 5.07 3.38 -1.60 0.13 115.31 121.73 1cyl h LEU 17 Ca 0.21 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.09 1cyl h LEU 17 Cb 0.22 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1cyl h LEU 17 CO -0.23 0.00 -0.13 0.00 0.09 0.00 0.00 178.44 178.17 1cyl h THR 18 N 0.00 1.26 0.00 0.22 1.03 -1.23 -2.16 112.91 112.03 1cyl h THR 18 Ca 0.37 -1.17 -0.10 0.00 -0.01 0.00 0.00 66.41 65.50 1cyl h THR 18 Cb 1.53 1.10 -0.01 0.00 -1.07 0.00 0.00 68.15 69.69 1cyl h THR 18 CO -0.00 0.39 -0.49 -0.08 -0.01 0.00 0.00 175.52 175.33 1cyl h GLU 19 N 0.64 0.00 -4.37 0.00 4.81 -0.78 -3.38 114.58 111.51 1cyl h GLU 19 Ca 0.11 0.00 -0.62 0.00 -0.13 0.00 0.00 59.36 58.72 1cyl h GLU 19 Cb 0.59 0.00 -0.39 0.00 0.63 0.00 0.00 28.75 29.59 1cyl h GLU 19 CO 0.04 0.49 -0.77 -0.65 -0.73 0.00 0.00 179.01 177.39 1cyl s GLN 20 N -3.87 1.54 -0.34 1.92 -0.21 -0.82 -4.99 119.66 112.88 1cyl s GLN 20 Ca -0.02 -1.21 -0.06 0.00 0.02 0.00 0.00 55.36 54.08 1cyl s GLN 20 Cb 0.13 -2.66 0.22 0.00 1.00 0.00 0.00 33.01 31.70 1cyl s GLN 20 CO 0.74 -0.71 1.10 1.17 -2.12 0.00 0.00 175.29 175.47 1cyl n LYS 21 N 4.59 0.11 0.00 2.91 3.00 -1.20 -4.55 118.16 123.02 1cyl n LYS 21 Ca -0.08 -0.81 0.00 0.00 -0.00 0.00 0.00 58.31 57.43 1cyl n LYS 21 Cb 0.43 0.09 0.00 0.00 0.00 0.00 0.00 35.03 35.55 1cyl n LYS 21 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.40 175.03 1cyl n THR 22 N 2.54 0.00 -0.53 3.15 5.66 -1.26 -4.73 114.28 119.10 1cyl n THR 22 Ca 0.11 0.00 0.40 0.00 -3.05 0.00 0.00 64.05 61.52 1cyl n THR 22 Cb 0.65 0.00 0.63 0.00 -1.55 0.00 0.00 70.33 70.06 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 -2.27 0.03 0.00 1.09 7.94 -1.26 -3.81 117.00 118.72 1cyl n LEU 23 Ca 0.00 0.83 0.00 0.00 -1.11 0.00 0.00 56.01 55.73 1cyl n LEU 23 Cb 0.00 -0.41 0.00 0.00 0.53 0.00 0.00 43.42 43.54 1cyl n LEU 23 CO 0.00 -0.84 0.00 0.00 -1.11 0.00 0.00 177.39 175.44 1cyl n THR 25 N 0.00 0.00 -0.32 0.00 5.66 -1.25 -1.84 114.28 116.53 1cyl n THR 25 Ca 0.00 0.00 0.25 0.00 -3.05 0.00 0.00 64.05 61.25 1cyl n THR 25 Cb 0.00 0.00 0.41 0.00 -1.55 0.00 0.00 70.33 69.19 1cyl n THR 25 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 1cyl n GLU 26 N 0.00 -0.01 -0.99 1.09 2.13 -1.26 -2.65 120.64 118.95 1cyl n GLU 26 Ca 0.00 0.64 -0.34 0.00 0.66 0.00 0.00 57.16 58.12 1cyl n GLU 26 Cb 0.00 -1.35 0.03 0.00 0.27 0.00 0.00 31.44 30.39 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 -3.42 -5.01 -4.79 4.31 4.77 -0.77 -4.10 117.00 107.99 1cyl n LEU 27 Ca 0.23 0.29 -0.38 0.00 -0.03 0.00 0.00 56.01 56.11 1cyl n LEU 27 Cb 0.97 -0.73 -0.06 0.00 -2.33 0.00 0.00 43.42 41.27 1cyl n LEU 27 CO 0.17 -5.29 0.40 0.42 -1.33 0.00 0.00 177.39 171.76 1cyl s THR 28 N -1.85 4.52 0.47 -5.08 -4.23 -1.26 -1.65 115.64 106.55 1cyl s THR 28 Ca 0.41 1.47 0.02 0.00 -1.18 0.00 0.00 61.69 62.42 1cyl s THR 28 Cb -0.25 -4.01 -0.02 0.00 1.34 0.00 0.00 72.50 69.56 1cyl s THR 28 CO 0.73 0.47 0.04 -0.69 -0.54 0.00 0.00 174.62 174.63 1cyl s VAL 29 N -1.21 1.05 -0.82 2.29 1.01 -0.87 -4.82 120.40 117.03 1cyl s VAL 29 Ca 0.35 -2.00 -0.18 0.00 0.00 0.00 0.00 61.98 60.15 1cyl s VAL 29 Cb -0.21 -2.30 0.13 0.00 0.00 0.00 0.00 36.38 34.01 1cyl s VAL 29 CO 0.23 0.00 0.97 -0.89 0.00 0.00 0.00 175.10 175.41 1cyl s THR 30 N -2.98 4.85 -0.74 3.92 2.01 -1.26 -3.67 115.64 117.78 1cyl s THR 30 Ca 0.14 -1.48 -0.24 0.00 0.31 0.00 0.00 61.69 60.42 1cyl s THR 30 Cb 0.03 -4.66 -0.15 0.00 0.01 0.00 0.00 72.50 67.72 1cyl s THR 30 CO 0.08 -1.35 2.41 -0.67 -0.69 0.00 0.00 174.62 174.40 1cyl n ASP 31 N 6.20 1.40 -1.65 3.53 2.03 -1.26 -4.75 116.55 122.05 1cyl n ASP 31 Ca 0.13 -0.90 -0.10 0.00 0.52 0.00 0.00 54.79 54.44 1cyl n ASP 31 Cb 0.47 -1.42 0.03 0.00 -0.72 0.00 0.00 41.12 39.48 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 8.00 2.28 -2.17 5.18 -6.64 -1.26 -4.06 119.36 120.68 1cyl n ILE 32 Ca 0.48 -1.06 0.01 0.00 -1.77 0.00 0.00 62.75 60.41 1cyl n ILE 32 Cb 0.39 -1.25 0.09 0.00 -1.44 0.00 0.00 39.64 37.43 1cyl n ILE 32 CO 0.00 0.00 0.00 0.49 -1.77 0.00 0.00 176.55 175.27 1cyl n PHE 33 N 0.58 0.50 -3.04 4.28 3.72 -1.26 -4.85 117.46 117.39 1cyl n PHE 33 Ca 0.19 -1.28 -0.15 0.00 -0.05 0.00 0.00 57.45 56.15 1cyl n PHE 33 Cb 0.63 -0.22 -0.00 0.00 -0.94 0.00 0.00 39.48 38.95 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 -0.37 1.83 0.00 4.37 0.00 -1.26 -4.91 120.51 120.17 1cyl n ALA 34 Ca 0.15 -3.05 0.00 0.00 0.00 0.00 0.00 53.44 50.54 1cyl n ALA 34 Cb 0.92 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 19.41 1cyl n ALA 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1cyl n ALA 35 N 0.21 0.00 -4.12 0.00 0.00 -1.26 -4.93 120.51 110.42 1cyl n ALA 35 Ca 0.19 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.35 1cyl n ALA 35 Cb 0.69 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.09 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 0.12 -1.11 0.00 7.64 -1.26 -4.79 113.62 114.22 1cyl n SER 36 Ca 0.00 -1.12 0.05 0.00 1.01 0.00 0.00 58.87 58.81 1cyl n SER 36 Cb 0.00 -2.43 0.22 0.00 -1.01 0.00 0.00 64.21 60.99 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 -4.47 2.79 0.00 1.43 3.00 -1.26 -4.10 118.16 115.54 1cyl n LYS 37 Ca -0.30 -1.71 0.11 0.00 -0.00 0.00 0.00 58.31 56.40 1cyl n LYS 37 Cb 0.68 -1.72 0.62 0.00 0.00 0.00 0.00 35.03 34.62 1cyl n LYS 37 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1cyl n ASN 38 N 0.50 0.00 -3.93 3.14 3.02 -1.26 -4.75 115.26 111.98 1cyl n ASN 38 Ca 0.15 -0.51 -0.26 0.00 -0.03 0.00 0.00 54.58 53.94 1cyl n ASN 38 Cb 0.64 -0.08 0.11 0.00 -0.61 0.00 0.00 39.78 39.84 1cyl n ASN 38 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 1cyl n THR 39 N -1.08 0.00 -1.40 3.41 5.66 -1.26 -4.74 114.28 114.87 1cyl n THR 39 Ca 0.15 -0.11 -0.40 0.00 -3.05 0.00 0.00 64.05 60.64 1cyl n THR 39 Cb 0.10 -0.35 0.01 0.00 -1.55 0.00 0.00 70.33 68.54 1cyl n THR 39 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 1cyl n THR 40 N -4.05 1.44 -0.12 1.09 -1.04 -1.26 -4.64 114.28 105.70 1cyl n THR 40 Ca 0.02 -0.50 -0.05 0.00 -2.04 0.00 0.00 64.05 61.48 1cyl n THR 40 Cb 0.50 -0.41 0.03 0.00 -1.82 0.00 0.00 70.33 68.63 1cyl n THR 40 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1cyl h GLU 41 N 0.44 0.20 -1.01 -2.82 4.39 -1.94 1.00 114.58 114.84 1cyl h GLU 41 Ca -0.41 -0.01 0.26 0.00 0.34 0.00 0.00 59.36 59.54 1cyl h GLU 41 Cb 1.41 -0.04 -0.07 0.00 -0.10 0.00 0.00 28.75 29.95 1cyl h GLU 41 CO 0.48 0.13 0.68 0.87 -1.16 0.00 0.00 179.01 180.01 1cyl h LYS 42 N 0.20 0.26 -0.33 2.33 1.57 -1.87 0.35 116.57 119.08 1cyl h LYS 42 Ca 0.19 -0.02 -0.14 0.00 -1.87 0.00 0.00 60.65 58.81 1cyl h LYS 42 Cb 0.23 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.48 1cyl h LYS 42 CO -0.26 0.17 -0.36 1.49 -0.57 0.00 0.00 179.45 179.92 1cyl h GLU 43 N 0.27 0.82 0.00 3.15 4.81 -1.12 -2.06 114.58 120.45 1cyl h GLU 43 Ca 0.53 -0.45 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 1cyl h GLU 43 Cb 1.58 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.98 1cyl h GLU 43 CO -0.17 1.08 -0.06 0.00 -0.73 0.00 0.00 179.01 179.13 1cyl h THR 44 N 0.60 1.02 0.00 0.32 1.03 0.11 0.14 112.91 116.13 1cyl h THR 44 Ca 0.05 -0.21 -0.11 0.00 -0.01 0.00 0.00 66.41 66.12 1cyl h THR 44 Cb 0.95 1.12 -0.02 0.00 -1.07 0.00 0.00 68.15 69.13 1cyl h THR 44 CO 0.09 0.06 -0.55 -0.26 -0.01 0.00 0.00 175.52 174.85 1cyl h PHE 45 N 0.00 0.00 -0.02 0.00 0.04 -0.77 -0.60 116.94 115.59 1cyl h PHE 45 Ca -0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 1cyl h PHE 45 Cb 0.11 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.26 1cyl h PHE 45 CO 0.00 0.55 -0.02 0.00 -0.60 0.00 0.00 178.31 178.23 1cyl h ARG 47 N -0.43 0.49 -0.11 0.00 9.65 -1.44 -2.63 114.38 119.92 1cyl h ARG 47 Ca 0.00 -0.31 -0.13 0.00 -1.10 0.00 0.00 59.98 58.45 1cyl h ARG 47 Cb 0.53 0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 29.13 1cyl h ARG 47 CO 0.01 0.91 -0.48 0.00 2.80 0.00 0.00 179.97 183.20 1cyl h ALA 48 N 1.03 0.97 0.00 2.80 0.00 -1.12 -2.57 119.26 120.38 1cyl h ALA 48 Ca 0.01 -0.47 -0.11 0.00 0.00 0.00 0.00 54.91 54.34 1cyl h ALA 48 Cb 1.07 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 1cyl h ALA 48 CO 0.10 0.65 -0.52 0.00 0.00 0.00 0.00 179.25 179.48 1cyl h ALA 49 N 1.27 1.13 -0.35 0.00 0.00 -0.92 -2.07 119.26 118.31 1cyl h ALA 49 Ca 0.01 -0.47 -0.13 0.00 0.00 0.00 0.00 54.91 54.32 1cyl h ALA 49 Cb 0.94 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1cyl h ALA 49 CO 0.08 0.65 -0.28 1.15 0.00 0.00 0.00 179.25 180.84 1cyl h THR 50 N 0.00 1.29 0.04 0.00 2.02 -1.09 -0.92 112.91 114.25 1cyl h THR 50 Ca -0.01 -1.44 -0.00 0.00 0.77 0.00 0.00 66.41 65.73 1cyl h THR 50 Cb 0.93 1.42 0.00 0.00 -1.74 0.00 0.00 68.15 68.76 1cyl h THR 50 CO 0.07 0.48 -0.02 -0.37 0.37 0.00 0.00 175.52 176.04 1cyl h VAL 51 N 0.60 1.31 0.00 3.16 -1.51 -1.34 -1.50 116.25 116.98 1cyl h VAL 51 Ca 0.06 -1.25 -0.01 0.00 -1.23 0.00 0.00 66.70 64.27 1cyl h VAL 51 Cb 0.86 2.12 -0.00 0.00 -2.13 0.00 0.00 31.29 32.14 1cyl h VAL 51 CO 0.07 0.31 -0.05 0.17 -1.23 0.00 0.00 177.57 176.85 1cyl h LEU 52 N -0.62 0.00 -0.13 4.19 8.10 -1.44 -0.85 115.31 124.54 1cyl h LEU 52 Ca -0.01 0.00 -0.03 0.00 0.11 0.00 0.00 57.88 57.95 1cyl h LEU 52 Cb 0.55 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.77 1cyl h LEU 52 CO 0.01 0.05 -0.04 -0.09 -4.11 0.00 0.00 178.44 174.25 1cyl h ARG 53 N 0.00 0.27 0.00 0.17 2.43 -1.02 -2.06 114.38 114.17 1cyl h ARG 53 Ca -0.00 -0.11 -0.08 0.00 -0.81 0.00 0.00 59.98 58.98 1cyl h ARG 53 Cb 0.09 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 1cyl h ARG 53 CO 0.01 0.57 -0.39 1.96 -1.51 0.00 0.00 179.97 180.61 1cyl h GLN 54 N -0.05 0.00 0.13 0.20 4.20 -0.51 -1.73 115.11 117.35 1cyl h GLN 54 Ca 0.03 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 1cyl h GLN 54 Cb 0.48 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.26 1cyl h GLN 54 CO 0.02 0.39 -0.06 0.35 -0.67 0.00 0.00 178.83 178.85 1cyl h PHE 55 N 0.00 -0.16 -0.12 2.96 3.57 -1.06 -1.93 116.94 120.18 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 0.71 0.05 0.01 0.00 2.79 0.00 0.00 35.95 39.51 1cyl h PHE 55 CO 0.00 0.28 -0.55 0.10 -2.23 0.00 0.00 178.31 175.90 1cyl h TYR 56 N -0.70 0.79 0.01 0.41 -0.00 -1.39 -2.56 116.97 113.53 1cyl h TYR 56 Ca -0.02 -0.34 -0.00 0.00 -0.00 0.00 0.00 58.73 58.37 1cyl h TYR 56 Cb 0.52 -0.12 0.00 0.00 -0.00 0.00 0.00 36.73 37.12 1cyl h TYR 56 CO 0.08 1.13 -0.00 0.77 -0.00 0.00 0.00 178.16 180.14 1cyl h SER 57 N 0.23 -0.01 0.06 0.10 0.02 -1.43 -1.68 113.55 110.83 1cyl h SER 57 Ca -0.03 -0.55 -0.00 0.00 -0.84 0.00 0.00 61.79 60.37 1cyl h SER 57 Cb 1.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.74 1cyl h SER 57 CO 0.12 0.55 -0.03 -0.74 -1.14 0.00 0.00 176.83 175.58 1cyl h HIS 58 N -0.57 -0.07 0.00 3.45 2.76 -1.49 -3.30 115.15 115.93 1cyl h HIS 58 Ca -0.00 -0.00 -0.12 0.00 -2.20 0.00 0.00 60.37 58.05 1cyl h HIS 58 Cb 0.56 0.02 -0.02 0.00 1.55 0.00 0.00 27.41 29.52 1cyl h HIS 58 CO 0.12 0.43 -0.58 0.45 -1.30 0.00 0.00 177.93 177.05 1cyl h HIS 59 N -0.62 0.00 -1.50 5.26 3.86 -1.54 -3.10 115.15 117.52 1cyl h HIS 59 Ca -0.01 0.00 0.44 0.00 -1.16 0.00 0.00 60.37 59.64 1cyl h HIS 59 Cb 0.54 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 28.93 1cyl h HIS 59 CO 0.10 0.58 1.06 1.05 0.86 0.00 0.00 177.93 181.58 1cyl h GLU 60 N 0.00 0.04 -3.46 2.45 4.11 -1.38 -3.11 114.58 113.22 1cyl h GLU 60 Ca -0.01 -0.00 -0.60 0.00 0.07 0.00 0.00 59.36 58.83 1cyl h GLU 60 Cb 1.03 -0.01 -0.40 0.00 0.50 0.00 0.00 28.75 29.88 1cyl h GLU 60 CO 0.08 0.02 -0.75 0.15 0.07 0.00 0.00 179.01 178.58 1cyl s LYS 61 N -5.00 0.92 0.00 1.06 1.02 -1.17 -4.85 119.74 111.72 1cyl s LYS 61 Ca -0.06 -1.39 0.00 0.00 0.02 0.00 0.00 55.97 54.54 1cyl s LYS 61 Cb 0.26 -2.16 0.00 0.00 -0.52 0.00 0.00 37.83 35.41 1cyl s LYS 61 CO 0.84 -1.04 0.00 -3.47 -0.92 0.00 0.00 175.35 170.77 1cyl n ASP 62 N 4.43 0.00 -2.17 2.83 2.03 -1.18 -4.91 116.55 117.58 1cyl n ASP 62 Ca 0.02 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.28 1cyl n ASP 62 Cb 0.40 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.79 1cyl n ASP 62 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 1cyl n THR 63 N 0.00 -0.17 -3.09 5.18 5.66 -1.26 -4.79 114.28 115.80 1cyl n THR 63 Ca 0.00 0.00 -0.45 0.00 -3.05 0.00 0.00 64.05 60.55 1cyl n THR 63 Cb 0.00 -0.60 -0.01 0.00 -1.55 0.00 0.00 70.33 68.17 1cyl n THR 63 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 1cyl s ARG 64 N -4.41 3.90 -0.62 1.09 1.81 -1.26 -4.36 118.95 115.10 1cyl s ARG 64 Ca 0.00 -2.47 -0.04 0.00 -1.72 0.00 0.00 55.73 51.50 1cyl s ARG 64 Cb 0.00 -4.80 0.00 0.00 -0.45 0.00 0.00 34.95 29.70 1cyl s ARG 64 CO 0.00 -1.57 0.54 0.00 -0.68 0.00 0.00 175.30 173.59 1cyl h LEU 66 N -1.22 0.81 0.00 0.00 4.07 -1.93 -3.47 115.31 113.57 1cyl h LEU 66 Ca -0.26 -0.56 0.00 0.00 0.08 0.00 0.00 57.88 57.14 1cyl h LEU 66 Cb 1.17 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 42.68 1cyl h LEU 66 CO 0.26 1.22 0.00 0.61 -1.08 0.00 0.00 178.44 179.44 1cyl n GLY 67 N 0.44 4.04 2.47 0.83 0.00 -1.26 -3.83 105.19 107.88 1cyl n GLY 67 Ca -0.06 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.90 4.61 0.00 -1.26 -4.91 120.51 116.05 1cyl n ALA 68 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 1cyl n ALA 68 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 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 -1.32 4.60 0.56 0.00 2.01 -1.26 -4.94 115.64 115.28 1cyl s THR 69 Ca 0.00 -0.08 0.34 0.00 0.31 0.00 0.00 61.69 62.26 1cyl s THR 69 Cb 0.00 -3.12 0.51 0.00 0.01 0.00 0.00 72.50 69.90 1cyl s THR 69 CO 0.00 0.38 1.78 0.00 -0.69 0.00 0.00 174.62 176.09 1cyl h ALA 70 N 7.65 2.94 0.00 7.40 0.00 -1.97 0.29 119.26 135.57 1cyl h ALA 70 Ca -0.37 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 1cyl h ALA 70 Cb 1.18 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1cyl h ALA 70 CO 0.62 -1.35 -0.00 0.37 0.00 0.00 0.00 179.25 178.89 1cyl h GLN 71 N 0.00 -0.01 0.00 0.00 5.75 -1.99 -3.09 115.11 115.78 1cyl h GLN 71 Ca 0.49 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.98 1cyl h GLN 71 Cb 2.12 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 30.67 1cyl h GLN 71 CO -0.01 0.56 -0.05 0.37 -2.65 0.00 0.00 178.83 177.06 1cyl h GLN 72 N -0.57 0.00 -0.12 1.69 -0.00 -0.86 -1.04 115.11 114.21 1cyl h GLN 72 Ca -0.00 0.00 0.03 0.00 -0.00 0.00 0.00 58.65 58.68 1cyl h GLN 72 Cb 0.57 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 28.04 1cyl h GLN 72 CO 0.00 0.05 0.09 0.35 0.00 0.00 0.00 178.83 179.31 1cyl h PHE 73 N 0.00 0.00 -0.62 3.99 3.57 -0.99 -1.20 116.94 121.70 1cyl h PHE 73 Ca -0.00 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.45 1cyl h PHE 73 Cb 0.09 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.80 1cyl h PHE 73 CO 0.00 0.00 0.17 1.25 -2.23 0.00 0.00 178.31 177.50 1cyl h HIS 74 N 0.00 0.98 0.00 0.41 2.76 -1.22 -0.85 115.15 117.23 1cyl h HIS 74 Ca 0.06 -0.09 -0.00 0.00 -2.20 0.00 0.00 60.37 58.14 1cyl h HIS 74 Cb 0.23 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 28.90 1cyl h HIS 74 CO 0.00 0.80 -0.00 -0.09 -1.30 0.00 0.00 177.93 177.34 1cyl h ARG 75 N 0.92 -0.00 -0.82 5.26 2.43 -1.35 -1.30 114.38 119.52 1cyl h ARG 75 Ca 0.20 0.00 0.11 0.00 -0.81 0.00 0.00 59.98 59.48 1cyl h ARG 75 Cb 0.29 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.78 1cyl h ARG 75 CO -0.01 0.51 0.53 1.25 -1.51 0.00 0.00 179.97 180.75 1cyl h HIS 76 N -0.52 0.79 -0.31 2.20 2.76 -1.27 -0.85 115.15 117.95 1cyl h HIS 76 Ca -0.00 0.02 -0.18 0.00 -2.20 0.00 0.00 60.37 58.01 1cyl h HIS 76 Cb 0.52 -0.25 -0.00 0.00 1.55 0.00 0.00 27.41 29.22 1cyl h HIS 76 CO 0.11 0.35 -0.51 1.57 -1.30 0.00 0.00 177.93 178.14 1cyl h LYS 77 N 0.72 0.90 -0.15 5.26 5.09 -1.04 -2.59 116.57 124.75 1cyl h LYS 77 Ca 0.39 -0.55 -0.02 0.00 0.09 0.00 0.00 60.65 60.56 1cyl h LYS 77 Cb 0.52 0.06 -0.01 0.00 0.10 0.00 0.00 32.23 32.90 1cyl h LYS 77 CO -0.16 1.19 0.03 0.37 -2.09 0.00 0.00 179.45 178.79 1cyl h GLN 78 N 0.69 0.25 -0.28 0.07 4.15 0.02 0.40 115.11 120.42 1cyl h GLN 78 Ca 0.02 -0.06 -0.17 0.00 0.77 0.00 0.00 58.65 59.21 1cyl h GLN 78 Cb 1.12 -0.03 -0.00 0.00 0.21 0.00 0.00 27.48 28.78 1cyl h GLN 78 CO 0.12 0.41 -0.49 1.37 -1.93 0.00 0.00 178.83 178.31 1cyl h LEU 79 N 0.04 0.85 -1.00 -2.39 8.10 -1.39 -1.56 115.31 117.98 1cyl h LEU 79 Ca 0.05 -0.43 -0.10 0.00 0.11 0.00 0.00 57.88 57.50 1cyl h LEU 79 Cb 0.28 -0.24 -0.01 0.00 -0.44 0.00 0.00 40.66 40.24 1cyl h LEU 79 CO 0.00 1.20 -0.50 0.40 -4.11 0.00 0.00 178.44 175.43 1cyl h ILE 80 N 0.61 1.34 0.03 0.15 2.04 -1.45 0.42 117.51 120.65 1cyl h ILE 80 Ca 0.03 -1.72 -0.00 0.00 1.00 0.00 0.00 64.86 64.17 1cyl h ILE 80 Cb 1.07 1.93 0.00 0.00 -0.74 0.00 0.00 36.82 39.08 1cyl h ILE 80 CO 0.11 0.49 -0.01 -0.09 0.00 0.00 0.00 178.15 178.64 1cyl h ARG 81 N 0.00 -0.04 0.00 2.37 2.43 -0.64 0.10 114.38 118.60 1cyl h ARG 81 Ca -0.00 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 1cyl h ARG 81 Cb 0.89 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.44 1cyl h ARG 81 CO 0.06 0.31 -0.20 0.74 -1.51 0.00 0.00 179.97 179.37 1cyl h PHE 82 N -0.39 0.00 -0.12 2.20 -1.00 -1.15 0.12 116.94 116.60 1cyl h PHE 82 Ca -0.00 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.75 1cyl h PHE 82 Cb 0.36 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.91 1cyl h PHE 82 CO 0.04 0.20 -0.06 -0.07 -1.61 0.00 0.00 178.31 176.81 1cyl h LEU 83 N 0.00 0.17 -0.10 1.54 3.38 0.75 -2.23 115.31 118.81 1cyl h LEU 83 Ca -0.00 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 1cyl h LEU 83 Cb 0.37 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 1cyl h LEU 83 CO 0.03 0.26 -0.15 0.50 0.09 0.00 0.00 178.44 179.17 1cyl h LYS 84 N 0.18 0.28 -0.97 1.13 3.11 0.18 -2.32 116.57 118.16 1cyl h LYS 84 Ca 0.04 -0.16 0.22 0.00 -2.81 0.00 0.00 60.65 57.93 1cyl h LYS 84 Cb 0.23 0.01 -0.08 0.00 -1.00 0.00 0.00 32.23 31.39 1cyl h LYS 84 CO 0.01 0.73 0.62 0.00 -2.81 0.00 0.00 179.45 178.00 1cyl h ARG 85 N -0.14 0.49 -0.21 1.90 3.08 -0.88 0.44 114.38 119.05 1cyl h ARG 85 Ca 0.01 -0.03 -0.14 0.00 0.07 0.00 0.00 59.98 59.89 1cyl h ARG 85 Cb 0.70 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.63 1cyl h ARG 85 CO 0.03 0.32 -0.46 1.25 -1.07 0.00 0.00 179.97 180.05 1cyl h LEU 86 N 0.50 0.58 0.00 3.04 5.85 -1.25 -1.35 115.31 122.69 1cyl h LEU 86 Ca 0.53 -0.28 -0.00 0.00 0.84 0.00 0.00 57.88 58.97 1cyl h LEU 86 Cb 1.19 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.05 1cyl h LEU 86 CO -0.26 0.96 -0.00 -0.78 -0.34 0.00 0.00 178.44 178.02 1cyl h ASP 87 N 0.43 -0.00 -0.16 1.25 3.58 0.39 -0.21 116.42 121.70 1cyl h ASP 87 Ca 0.03 -0.50 -0.07 0.00 0.42 0.00 0.00 57.03 56.91 1cyl h ASP 87 Cb 0.97 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.02 1cyl h ASP 87 CO 0.09 0.50 -0.19 0.03 -2.88 0.00 0.00 179.24 176.79 1cyl h ARG 88 N -0.51 0.40 -0.09 0.28 3.08 -1.34 -3.23 114.38 112.97 1cyl h ARG 88 Ca -0.00 -0.22 -0.12 0.00 0.07 0.00 0.00 59.98 59.70 1cyl h ARG 88 Cb 0.50 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 1cyl h ARG 88 CO 0.00 0.79 -0.49 -0.91 -1.07 0.00 0.00 179.97 178.29 1cyl h ASN 89 N 0.03 0.25 -0.65 7.04 4.21 -1.34 -3.01 115.58 122.11 1cyl h ASN 89 Ca 0.02 -0.12 0.19 0.00 1.21 0.00 0.00 56.30 57.60 1cyl h ASN 89 Cb 0.74 -0.07 -0.03 0.00 -1.12 0.00 0.00 38.32 37.84 1cyl h ASN 89 CO 0.04 0.71 0.47 -0.07 -1.29 0.00 0.00 177.43 177.30 1cyl h LEU 90 N 0.19 0.00 -0.67 1.61 3.38 -1.04 0.14 115.31 118.91 1cyl h LEU 90 Ca 0.01 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.84 1cyl h LEU 90 Cb 0.94 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 1cyl h LEU 90 CO 0.08 0.00 -0.47 -0.50 0.09 0.00 0.00 178.44 177.64 1cyl h TRP 91 N 0.00 0.56 0.02 1.13 -0.00 -1.63 -1.25 115.95 114.77 1cyl h TRP 91 Ca 0.31 -0.18 -0.00 0.00 -0.00 0.00 0.00 58.89 59.02 1cyl h TRP 91 Cb 1.25 -0.11 0.00 0.00 -0.00 0.00 0.00 29.16 30.30 1cyl h TRP 91 CO 0.00 0.85 -0.01 0.78 -0.00 0.00 0.00 178.44 180.06 1cyl h GLY 92 N 1.14 -0.02 1.06 1.49 0.00 -0.88 -1.29 103.07 104.57 1cyl h GLY 92 Ca 0.02 0.01 -0.02 0.00 0.00 0.00 0.00 47.33 47.34 1cyl h GLY 92 CO 0.08 -0.01 0.45 -2.00 0.00 0.00 0.00 176.54 175.07 1cyl h LEU 93 N -0.58 1.10 0.07 3.11 6.46 -1.44 -3.25 115.31 120.79 1cyl h LEU 93 Ca -0.00 -0.11 -0.00 0.00 -0.12 0.00 0.00 57.88 57.65 1cyl h LEU 93 Cb 0.55 -0.28 0.00 0.00 -0.73 0.00 0.00 40.66 40.20 1cyl h LEU 93 CO 0.00 0.90 -0.04 0.00 -0.62 0.00 0.00 178.44 178.68 1cyl h ALA 94 N 1.28 -0.58 0.00 1.25 0.00 -1.24 -3.48 119.26 116.48 1cyl h ALA 94 Ca 0.30 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1cyl h ALA 94 Cb 0.06 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1cyl h ALA 94 CO -0.04 -0.57 0.00 0.41 0.00 0.00 0.00 179.25 179.04 1cyl n GLY 95 N 0.28 1.82 3.68 0.00 0.00 -0.49 -4.79 105.19 105.69 1cyl n GLY 95 Ca -0.01 -0.54 -0.24 0.00 0.00 0.00 0.00 46.02 45.23 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 3.11 -0.37 0.99 2.96 -1.26 -5.01 118.68 119.10 1cyl s LEU 96 Ca 0.00 -0.89 0.12 0.00 -0.22 0.00 0.00 54.13 53.15 1cyl s LEU 96 Cb 0.00 -1.53 0.40 0.00 0.50 0.00 0.00 46.19 45.56 1cyl s LEU 96 CO 0.00 -0.26 1.08 -3.20 -1.32 0.00 0.00 176.35 172.65 1cyl n ASN 97 N -1.04 -0.30 -3.52 3.68 5.15 -1.26 -4.78 115.26 113.18 1cyl n ASN 97 Ca -0.04 -2.80 -0.27 0.00 -0.60 0.00 0.00 54.58 50.87 1cyl n ASN 97 Cb 0.62 0.32 -0.10 0.00 -0.53 0.00 0.00 39.78 40.08 1cyl n ASN 97 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1cyl n SER 98 N -0.14 0.67 -2.67 1.20 2.88 -1.26 -4.92 113.62 109.38 1cyl n SER 98 Ca 0.07 -2.66 -0.04 0.00 -1.33 0.00 0.00 58.87 54.91 1cyl n SER 98 Cb 0.79 -0.62 0.07 0.00 -0.75 0.00 0.00 64.21 63.70 1cyl n SER 98 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1cyl n PRO 100 N 0.10 2.25 -1.10 0.00 -0.04 -1.26 -4.41 135.00 130.54 1cyl n PRO 100 Ca -0.12 -2.34 0.00 0.00 -0.04 0.00 0.00 63.50 61.00 1cyl n PRO 100 Cb 0.72 -1.97 0.00 0.00 -0.04 0.00 0.00 33.50 32.22 1cyl n PRO 100 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1cyl n VAL 101 N 0.13 0.00 -2.88 0.52 0.24 -1.26 -5.05 118.33 110.02 1cyl n VAL 101 Ca 0.45 0.00 -0.02 0.00 -2.04 0.00 0.00 64.34 62.73 1cyl n VAL 101 Cb 0.56 0.00 0.01 0.00 -1.47 0.00 0.00 33.84 32.93 1cyl n VAL 101 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1cyl n LYS 102 N 0.00 -1.25 -2.99 7.34 4.01 -1.26 -5.02 118.16 118.99 1cyl n LYS 102 Ca 0.00 1.29 0.04 0.00 -0.51 0.00 0.00 58.31 59.13 1cyl n LYS 102 Cb 0.00 -5.22 0.00 0.00 -0.51 0.00 0.00 35.03 29.30 1cyl n LYS 102 CO 0.00 0.00 0.00 -2.00 -1.11 0.00 0.00 177.40 174.29 1cyl s GLU 103 N -3.16 0.08 -0.11 1.97 -6.30 -1.26 -5.03 118.70 104.89 1cyl s GLU 103 Ca 0.05 0.03 0.12 0.00 -2.50 0.00 0.00 54.97 52.67 1cyl s GLU 103 Cb -0.01 0.02 -0.16 0.00 0.00 0.00 0.00 34.13 33.98 1cyl s GLU 103 CO 0.65 -0.13 0.08 0.00 0.02 0.00 0.00 175.26 175.88 1cyl n ALA 104 N 4.51 1.82 -0.76 6.30 0.00 -1.26 -4.97 120.51 126.14 1cyl n ALA 104 Ca 0.08 -0.75 -0.30 0.00 0.00 0.00 0.00 53.44 52.48 1cyl n ALA 104 Cb 0.61 -0.09 0.11 0.00 0.00 0.00 0.00 19.45 20.07 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 -2.39 -2.68 -3.84 0.00 3.02 -1.26 -4.99 115.26 103.13 1cyl n ASN 105 Ca -0.18 -0.12 -0.09 0.00 -0.03 0.00 0.00 54.58 54.16 1cyl n ASN 105 Cb 0.82 -0.72 -0.07 0.00 -0.61 0.00 0.00 39.78 39.19 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 -2.83 0.85 0.04 3.52 1.03 -1.26 -4.27 119.66 116.73 1cyl s GLN 106 Ca 0.41 -0.92 -0.09 0.00 0.04 0.00 0.00 55.36 54.80 1cyl s GLN 106 Cb -0.02 0.35 0.03 0.00 0.03 0.00 0.00 33.01 33.40 1cyl s GLN 106 CO 0.55 -0.27 0.41 0.45 -2.54 0.00 0.00 175.29 173.89 1cyl n SER 107 N -0.02 -0.54 -4.90 12.60 2.88 -1.24 -4.79 113.62 117.60 1cyl n SER 107 Ca -0.15 -1.23 -0.33 0.00 -1.33 0.00 0.00 58.87 55.83 1cyl n SER 107 Cb 0.62 0.87 -0.05 0.00 -0.75 0.00 0.00 64.21 64.91 1cyl n SER 107 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1cyl s THR 108 N -2.27 5.41 0.54 2.46 -1.32 -1.26 -2.04 115.64 117.15 1cyl s THR 108 Ca 0.09 -0.17 0.23 0.00 -1.21 0.00 0.00 61.69 60.63 1cyl s THR 108 Cb -0.01 -3.53 0.35 0.00 -1.51 0.00 0.00 72.50 67.81 1cyl s THR 108 CO 0.01 0.32 2.06 0.25 -2.21 0.00 0.00 174.62 175.05 1cyl h LEU 109 N 3.81 0.00 -0.96 9.08 6.46 -1.08 0.40 115.31 133.02 1cyl h LEU 109 Ca -0.49 0.00 0.23 0.00 -0.12 0.00 0.00 57.88 57.50 1cyl h LEU 109 Cb 1.19 0.00 -0.12 0.00 -0.73 0.00 0.00 40.66 41.00 1cyl h LEU 109 CO 0.69 0.00 0.53 -0.33 -0.62 0.00 0.00 178.44 178.71 1cyl h GLU 110 N 0.00 0.54 -0.03 1.25 5.08 -1.85 0.12 114.58 119.69 1cyl h GLU 110 Ca 0.14 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.46 1cyl h GLU 110 Cb 0.61 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 1cyl h GLU 110 CO -0.00 0.36 -0.05 -0.97 -1.00 0.00 0.00 179.01 177.35 1cyl h ASN 111 N 0.55 0.09 -1.02 1.42 -0.00 -1.31 -2.59 115.58 112.72 1cyl h ASN 111 Ca 0.60 -0.55 0.25 0.00 -0.00 0.00 0.00 56.30 56.61 1cyl h ASN 111 Cb 1.11 -0.03 -0.10 0.00 -0.00 0.00 0.00 38.32 39.31 1cyl h ASN 111 CO -0.47 0.62 0.65 0.15 -0.00 0.00 0.00 177.43 178.38 1cyl h PHE 112 N -0.44 0.73 -0.15 0.67 3.57 -0.69 0.79 116.94 121.43 1cyl h PHE 112 Ca 0.00 0.02 -0.16 0.00 3.53 0.00 0.00 57.97 61.37 1cyl h PHE 112 Cb 0.60 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 1cyl h PHE 112 CO 0.11 0.08 -0.59 1.25 -2.23 0.00 0.00 178.31 176.94 1cyl h LEU 113 N 0.45 0.53 0.03 0.59 6.46 -0.89 0.83 115.31 123.32 1cyl h LEU 113 Ca 0.59 -0.30 -0.00 0.00 -0.12 0.00 0.00 57.88 58.05 1cyl h LEU 113 Cb 1.39 -0.15 0.00 0.00 -0.73 0.00 0.00 40.66 41.17 1cyl h LEU 113 CO -0.32 1.00 -0.02 -0.08 -0.62 0.00 0.00 178.44 178.41 1cyl h GLU 114 N 0.36 -0.04 0.08 1.25 4.22 0.78 -1.37 114.58 119.85 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 1.13 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1cyl h GLU 114 CO 0.11 0.48 -0.04 -0.09 -2.18 0.00 0.00 179.01 177.29 1cyl h ARG 115 N -0.59 -0.10 -0.68 1.92 1.12 -0.39 -0.15 114.38 115.50 1cyl h ARG 115 Ca -0.00 0.01 0.05 0.00 -1.11 0.00 0.00 59.98 58.92 1cyl h ARG 115 Cb 0.54 0.02 -0.05 0.00 -0.01 0.00 0.00 29.97 30.47 1cyl h ARG 115 CO 0.01 0.08 0.40 1.25 -3.11 0.00 0.00 179.97 178.59 1cyl h LEU 116 N -0.26 0.61 -1.02 3.80 5.85 -0.92 -1.42 115.31 121.95 1cyl h LEU 116 Ca -0.01 0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.63 1cyl h LEU 116 Cb 0.22 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 1cyl h LEU 116 CO 0.02 0.40 -0.48 0.11 -0.34 0.00 0.00 178.44 178.14 1cyl h LYS 117 N 0.74 0.00 0.03 1.25 1.57 -1.03 -2.83 116.57 116.30 1cyl h LYS 117 Ca 0.30 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.08 1cyl h LYS 117 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1cyl h LYS 117 CO -0.16 0.48 -0.01 1.15 -0.57 0.00 0.00 179.45 180.33 1cyl h THR 118 N 0.00 1.26 0.03 -0.16 2.02 0.02 -2.35 112.91 113.73 1cyl h THR 118 Ca -0.00 -0.92 0.00 0.00 0.77 0.00 0.00 66.41 66.25 1cyl h THR 118 Cb 0.87 1.88 -0.00 0.00 -1.74 0.00 0.00 68.15 69.16 1cyl h THR 118 CO 0.06 0.23 -0.03 0.40 0.37 0.00 0.00 175.52 176.56 1cyl h ILE 119 N -0.44 0.94 -0.30 3.11 5.03 -1.38 -2.23 117.51 122.24 1cyl h ILE 119 Ca -0.00 0.00 0.07 0.00 -0.12 0.00 0.00 64.86 64.81 1cyl h ILE 119 Cb 0.41 0.94 -0.07 0.00 -3.03 0.00 0.00 36.82 35.07 1cyl h ILE 119 CO 0.01 0.00 -0.20 0.24 -0.68 0.00 0.00 178.15 177.51 1cyl h MET 120 N -0.06 -0.17 -0.63 2.37 2.86 -1.53 0.39 114.93 118.17 1cyl h MET 120 Ca 0.00 0.01 0.14 0.00 -2.06 0.00 0.00 59.70 57.79 1cyl h MET 120 Cb 0.06 0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.72 1cyl h MET 120 CO -0.01 -0.11 0.43 -0.09 1.06 0.00 0.00 176.91 178.19 1cyl h ARG 121 N -0.17 0.25 -0.23 1.72 9.65 -1.22 0.47 114.38 124.85 1cyl h ARG 121 Ca 0.16 -0.02 -0.11 0.00 -1.10 0.00 0.00 59.98 58.91 1cyl h ARG 121 Cb 0.42 -0.06 -0.00 0.00 -1.39 0.00 0.00 29.97 28.94 1cyl h ARG 121 CO -0.41 0.17 -0.29 0.93 2.80 0.00 0.00 179.97 183.17 1cyl h GLU 122 N 0.26 0.60 0.00 0.20 5.08 0.34 0.21 114.58 121.27 1cyl h GLU 122 Ca 0.30 -0.34 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1cyl h GLU 122 Cb 0.82 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.10 1cyl h GLU 122 CO -0.07 0.94 -0.00 -0.22 -1.00 0.00 0.00 179.01 178.67 1cyl h LYS 123 N 0.30 -0.00 0.00 2.33 3.64 0.15 -2.89 116.57 120.10 1cyl h LYS 123 Ca 0.03 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.37 1cyl h LYS 123 Cb 0.87 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.68 1cyl h LYS 123 CO 0.07 0.57 -0.20 -0.92 -2.27 0.00 0.00 179.45 176.69 1cyl h TYR 124 N -0.57 0.00 0.00 1.91 3.20 -1.04 0.47 116.97 120.94 1cyl h TYR 124 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1cyl h TYR 124 Cb 0.57 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.84 1cyl h TYR 124 CO 0.12 0.20 0.00 0.45 -1.64 0.00 0.00 178.16 177.30 1cyl n SER 125 N -4.18 0.00 0.05 -2.11 2.88 0.74 -4.32 113.62 106.69 1cyl n SER 125 Ca -0.02 0.39 -0.13 0.00 -1.33 0.00 0.00 58.87 57.78 1cyl n SER 125 Cb 0.27 -0.11 -0.09 0.00 -0.75 0.00 0.00 64.21 63.53 1cyl n SER 125 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1cyl h LYS 126 N 0.00 -0.13 -4.53 -1.46 3.64 -1.60 -3.45 116.57 109.05 1cyl h LYS 126 Ca 0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1cyl h LYS 126 Cb 0.00 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 1cyl h LYS 126 CO 0.00 0.19 0.00 0.00 -2.27 0.00 0.00 179.45 177.37 1cyl s SER 128 N -1.78 1.17 0.00 0.00 0.15 -1.26 -3.69 113.70 108.29 1cyl s SER 128 Ca 0.00 -0.54 0.30 0.00 0.70 0.00 0.00 55.95 56.41 1cyl s SER 128 Cb 0.00 -0.01 1.52 0.00 -1.71 0.00 0.00 66.02 65.82 1cyl s SER 128 CO 0.00 -0.13 2.01 -0.24 1.20 0.00 0.00 173.24 176.08