#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 2.78 0.09 -0.41 2.20 -1.26 -4.71 119.74 118.42 1cyl s LYS 2 Ca 0.00 -1.10 0.07 0.00 -0.36 0.00 0.00 55.97 54.57 1cyl s LYS 2 Cb 0.00 -2.49 -0.04 0.00 -1.51 0.00 0.00 37.83 33.79 1cyl s LYS 2 CO 0.00 0.41 -0.10 0.00 -0.36 0.00 0.00 175.35 175.30 1cyl s ASP 4 N -2.07 4.03 0.33 0.00 2.15 -1.26 -5.02 116.67 114.82 1cyl s ASP 4 Ca 0.21 -0.99 0.13 0.00 0.43 0.00 0.00 52.55 52.33 1cyl s ASP 4 Cb -0.11 -0.50 0.56 0.00 -0.30 0.00 0.00 42.92 42.57 1cyl s ASP 4 CO 0.13 -0.14 1.71 0.40 -0.17 0.00 0.00 175.17 177.10 1cyl h ILE 5 N 1.96 1.27 -0.64 4.11 5.03 -2.00 -3.21 117.51 124.02 1cyl h ILE 5 Ca -0.42 -1.71 0.13 0.00 -0.12 0.00 0.00 64.86 62.74 1cyl h ILE 5 Cb 1.25 1.94 -0.10 0.00 -3.03 0.00 0.00 36.82 36.89 1cyl h ILE 5 CO 0.65 0.48 0.11 0.74 -0.68 0.00 0.00 178.15 179.45 1cyl h THR 6 N 0.00 0.56 -0.04 -0.27 2.02 -1.99 -0.96 112.91 112.24 1cyl h THR 6 Ca -0.00 -0.08 -0.02 0.00 0.77 0.00 0.00 66.41 67.08 1cyl h THR 6 Cb 0.90 0.32 -0.00 0.00 -1.74 0.00 0.00 68.15 67.63 1cyl h THR 6 CO 0.06 0.04 -0.04 -0.07 0.37 0.00 0.00 175.52 175.88 1cyl h LEU 7 N 0.22 0.10 -2.00 2.58 -0.00 -1.99 -1.51 115.31 112.72 1cyl h LEU 7 Ca 0.35 -0.51 0.16 0.00 -0.00 0.00 0.00 57.88 57.87 1cyl h LEU 7 Cb 0.55 -0.03 -0.02 0.00 -0.00 0.00 0.00 40.66 41.16 1cyl h LEU 7 CO -0.47 0.59 0.40 0.06 -0.00 0.00 0.00 178.44 179.03 1cyl h GLN 8 N -0.39 0.00 -0.10 1.13 3.07 -1.55 0.27 115.11 117.54 1cyl h GLN 8 Ca 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 58.65 58.69 1cyl h GLN 8 Cb 0.57 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.13 1cyl h GLN 8 CO 0.01 0.00 -0.17 0.93 0.09 0.00 0.00 178.83 179.69 1cyl h GLU 9 N 0.00 0.29 -0.18 0.06 5.08 -0.91 -2.87 114.58 116.05 1cyl h GLU 9 Ca 0.26 -0.18 0.04 0.00 -1.00 0.00 0.00 59.36 58.48 1cyl h GLU 9 Cb 1.05 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.29 1cyl h GLU 9 CO -0.00 0.76 -0.06 0.82 -1.00 0.00 0.00 179.01 179.52 1cyl h ILE 10 N -0.15 0.77 -0.66 3.13 5.03 0.10 0.29 117.51 126.02 1cyl h ILE 10 Ca 0.01 0.00 0.11 0.00 -0.12 0.00 0.00 64.86 64.85 1cyl h ILE 10 Cb 0.74 0.77 -0.04 0.00 -3.03 0.00 0.00 36.82 35.26 1cyl h ILE 10 CO 0.04 0.00 0.44 0.40 -0.68 0.00 0.00 178.15 178.35 1cyl h ILE 11 N -0.03 0.89 -0.78 -0.67 2.04 -1.46 0.46 117.51 117.95 1cyl h ILE 11 Ca 0.09 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 1cyl h ILE 11 Cb 0.17 0.38 -0.04 0.00 -0.74 0.00 0.00 36.82 36.60 1cyl h ILE 11 CO -0.20 0.08 0.45 0.11 0.00 0.00 0.00 178.15 178.59 1cyl h LYS 12 N 0.46 1.07 0.00 2.37 1.79 -0.72 -1.01 116.57 120.53 1cyl h LYS 12 Ca 0.31 -0.11 -0.00 0.00 -2.18 0.00 0.00 60.65 58.67 1cyl h LYS 12 Cb 0.58 -0.22 0.00 0.00 -1.58 0.00 0.00 32.23 31.02 1cyl h LYS 12 CO -0.09 0.77 -0.00 1.15 -1.08 0.00 0.00 179.45 180.19 1cyl h THR 13 N 1.07 1.41 -0.67 -0.16 2.02 -0.32 -2.49 112.91 113.77 1cyl h THR 13 Ca 0.28 -1.21 0.16 0.00 0.77 0.00 0.00 66.41 66.41 1cyl h THR 13 Cb -0.01 2.23 -0.04 0.00 -1.74 0.00 0.00 68.15 68.59 1cyl h THR 13 CO -0.05 0.31 0.47 -0.07 0.37 0.00 0.00 175.52 176.55 1cyl h LEU 14 N -0.52 0.18 0.01 2.58 4.07 -1.10 -1.43 115.31 119.11 1cyl h LEU 14 Ca -0.00 0.01 -0.00 0.00 0.08 0.00 0.00 57.88 57.97 1cyl h LEU 14 Cb 0.51 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.23 1cyl h LEU 14 CO 0.00 0.09 -0.00 -1.13 -1.08 0.00 0.00 178.44 176.32 1cyl h ASN 15 N 0.19 -0.01 0.05 -0.43 -0.73 -1.02 -3.03 115.58 110.60 1cyl h ASN 15 Ca 0.33 -0.54 -0.00 0.00 1.87 0.00 0.00 56.30 57.95 1cyl h ASN 15 Cb 1.01 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.61 1cyl h ASN 15 CO -0.06 0.54 -0.02 0.28 -0.37 0.00 0.00 177.43 177.80 1cyl h SER 16 N -0.57 -0.06 -0.89 1.15 0.02 -0.87 -2.09 113.55 110.25 1cyl h SER 16 Ca -0.00 -0.12 0.26 0.00 -0.84 0.00 0.00 61.79 61.09 1cyl h SER 16 Cb 0.55 0.01 -0.04 0.00 0.14 0.00 0.00 62.40 63.07 1cyl h SER 16 CO 0.00 0.08 0.65 0.25 -1.14 0.00 0.00 176.83 176.67 1cyl h LEU 17 N -0.19 0.00 -0.18 5.07 5.85 -1.40 0.13 115.31 124.59 1cyl h LEU 17 Ca -0.01 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 1cyl h LEU 17 Cb 0.17 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.20 1cyl h LEU 17 CO 0.01 0.00 -0.15 0.74 -0.34 0.00 0.00 178.44 178.70 1cyl h THR 18 N 0.00 1.33 -0.90 1.05 2.02 -1.25 -2.62 112.91 112.55 1cyl h THR 18 Ca 0.42 -1.29 0.26 0.00 0.77 0.00 0.00 66.41 66.58 1cyl h THR 18 Cb 1.72 1.77 -0.04 0.00 -1.74 0.00 0.00 68.15 69.86 1cyl h THR 18 CO -0.00 0.39 0.68 -0.33 0.37 0.00 0.00 175.52 176.62 1cyl h GLU 19 N 0.08 0.00 -4.63 6.66 3.07 -0.49 -3.27 114.58 116.00 1cyl h GLU 19 Ca 0.03 0.00 -0.69 0.00 -0.50 0.00 0.00 59.36 58.20 1cyl h GLU 19 Cb 0.68 0.00 -0.34 0.00 -0.84 0.00 0.00 28.75 28.25 1cyl h GLU 19 CO 0.04 0.00 -0.63 1.14 -1.40 0.00 0.00 179.01 178.16 1cyl s GLN 20 N -4.91 2.17 -0.48 2.33 -2.07 -0.98 -4.96 119.66 110.77 1cyl s GLN 20 Ca -0.05 -1.56 0.05 0.00 -1.82 0.00 0.00 55.36 51.99 1cyl s GLN 20 Cb 0.21 -3.38 0.25 0.00 -1.09 0.00 0.00 33.01 29.00 1cyl s GLN 20 CO 0.74 -0.85 0.94 1.17 -1.32 0.00 0.00 175.29 175.97 1cyl n LYS 21 N 4.59 0.76 0.00 9.60 4.81 -1.24 -4.79 118.16 131.90 1cyl n LYS 21 Ca -0.07 -1.68 0.00 0.00 -0.87 0.00 0.00 58.31 55.69 1cyl n LYS 21 Cb 0.42 -1.33 0.00 0.00 0.02 0.00 0.00 35.03 34.14 1cyl n LYS 21 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1cyl n THR 22 N 1.49 0.00 -2.01 3.15 -2.24 -1.26 -4.81 114.28 108.59 1cyl n THR 22 Ca 0.08 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.80 1cyl n THR 22 Cb 0.64 -0.28 0.10 0.00 -2.10 0.00 0.00 70.33 68.69 1cyl n THR 22 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1cyl n LEU 23 N -0.52 3.19 0.00 3.22 4.32 -1.26 -4.89 117.00 121.07 1cyl n LEU 23 Ca 0.00 -3.88 0.00 0.00 -0.02 0.00 0.00 56.01 52.11 1cyl n LEU 23 Cb 0.00 -0.27 0.00 0.00 -1.62 0.00 0.00 43.42 41.53 1cyl n LEU 23 CO 0.00 1.51 0.00 0.00 -1.22 0.00 0.00 177.39 177.68 1cyl s THR 25 N -0.32 3.30 0.00 0.00 -4.23 -1.26 -4.01 115.64 109.12 1cyl s THR 25 Ca 0.00 -0.34 0.00 0.00 -1.18 0.00 0.00 61.69 60.17 1cyl s THR 25 Cb 0.00 -3.84 0.00 0.00 1.34 0.00 0.00 72.50 70.00 1cyl s THR 25 CO 0.00 -0.60 0.00 -1.84 -0.54 0.00 0.00 174.62 171.64 1cyl n GLU 26 N 8.66 0.00 0.00 3.99 0.28 -1.26 -4.02 120.64 128.29 1cyl n GLU 26 Ca 0.43 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.43 1cyl n GLU 26 Cb 0.46 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.33 1cyl n GLU 26 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1cyl n LEU 27 N 0.00 0.30 0.00 -1.84 4.32 -1.26 -4.58 117.00 113.94 1cyl n LEU 27 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1cyl n LEU 27 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 1cyl n LEU 27 CO 0.00 -0.18 0.00 0.35 -1.22 0.00 0.00 177.39 176.34 1cyl n THR 28 N -2.26 0.00 -3.83 -5.08 -2.24 -1.26 -4.56 114.28 95.05 1cyl n THR 28 Ca 0.00 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.68 1cyl n THR 28 Cb 0.12 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.28 1cyl n THR 28 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1cyl s VAL 29 N 0.00 0.12 -0.11 2.28 -7.23 -1.18 -4.74 120.40 109.53 1cyl s VAL 29 Ca 0.00 -0.97 -0.29 0.00 -1.81 0.00 0.00 61.98 58.91 1cyl s VAL 29 Cb 0.00 -1.11 -0.06 0.00 0.56 0.00 0.00 36.38 35.77 1cyl s VAL 29 CO 0.00 -0.54 2.01 -0.89 -0.31 0.00 0.00 175.10 175.37 1cyl s THR 30 N -3.19 3.14 -0.54 5.32 2.01 -1.26 -3.78 115.64 117.34 1cyl s THR 30 Ca -0.00 0.15 0.24 0.00 0.31 0.00 0.00 61.69 62.39 1cyl s THR 30 Cb 0.02 -3.14 0.14 0.00 0.01 0.00 0.00 72.50 69.53 1cyl s THR 30 CO -0.07 -0.06 1.42 0.44 -0.69 0.00 0.00 174.62 175.66 1cyl h ASP 31 N 12.46 0.00 -3.94 3.53 5.19 -1.91 -3.45 116.42 128.30 1cyl h ASP 31 Ca -0.43 -0.08 0.00 0.00 -0.62 0.00 0.00 57.03 55.89 1cyl h ASP 31 Cb 1.22 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.73 1cyl h ASP 31 CO 0.96 0.04 0.00 2.30 -3.12 0.00 0.00 179.24 179.42 1cyl n ILE 32 N -2.45 0.00 -1.63 0.35 -5.35 -1.26 -4.65 119.36 104.38 1cyl n ILE 32 Ca 0.03 0.00 0.06 0.00 -0.27 0.00 0.00 62.75 62.57 1cyl n ILE 32 Cb 0.48 0.00 0.17 0.00 -1.74 0.00 0.00 39.64 38.54 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 0.00 -2.71 4.28 3.72 -1.26 -4.86 117.46 115.87 1cyl n PHE 33 Ca 0.00 -1.24 -0.06 0.00 -0.05 0.00 0.00 57.45 56.10 1cyl n PHE 33 Cb 0.00 -0.21 0.06 0.00 -0.94 0.00 0.00 39.48 38.38 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 -0.94 -2.52 0.00 4.37 0.00 -1.26 -5.01 120.51 115.14 1cyl n ALA 34 Ca 0.16 -0.81 0.00 0.00 0.00 0.00 0.00 53.44 52.79 1cyl n ALA 34 Cb 0.74 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.91 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 1.77 0.00 -3.51 0.00 0.00 -1.26 -4.96 120.51 112.54 1cyl n ALA 35 Ca 0.07 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.31 1cyl n ALA 35 Cb 0.66 0.00 0.08 0.00 0.00 0.00 0.00 19.45 20.19 1cyl n ALA 35 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1cyl n SER 36 N 0.00 -3.73 -0.22 0.00 7.64 -1.26 -4.85 113.62 111.20 1cyl n SER 36 Ca 0.00 -0.60 0.03 0.00 1.01 0.00 0.00 58.87 59.31 1cyl n SER 36 Cb 0.00 -5.04 0.11 0.00 -1.01 0.00 0.00 64.21 58.27 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 -4.48 1.27 0.21 1.43 0.00 -1.26 -3.88 118.16 111.44 1cyl n LYS 37 Ca -0.17 -0.43 0.13 0.00 0.00 0.00 0.00 58.31 57.85 1cyl n LYS 37 Cb 0.63 -1.12 0.70 0.00 0.00 0.00 0.00 35.03 35.23 1cyl n LYS 37 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.40 174.45 1cyl h ASN 38 N 0.71 0.00 -2.00 3.14 -1.07 -2.01 -3.43 115.58 110.92 1cyl h ASN 38 Ca 0.00 0.00 -0.21 0.00 0.07 0.00 0.00 56.30 56.16 1cyl h ASN 38 Cb 0.16 0.00 0.12 0.00 -2.07 0.00 0.00 38.32 36.53 1cyl h ASN 38 CO 0.00 0.00 -0.20 1.07 0.07 0.00 0.00 177.43 178.37 1cyl n THR 39 N -2.43 0.00 -2.06 6.14 5.66 -1.25 -4.85 114.28 115.49 1cyl n THR 39 Ca -0.02 -0.02 -0.37 0.00 -3.05 0.00 0.00 64.05 60.59 1cyl n THR 39 Cb 0.09 -0.51 0.02 0.00 -1.55 0.00 0.00 70.33 68.38 1cyl n THR 39 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1cyl s THR 40 N -2.07 2.69 0.19 1.09 -4.23 -1.26 -4.91 115.64 107.14 1cyl s THR 40 Ca 0.36 0.50 -0.13 0.00 -1.18 0.00 0.00 61.69 61.24 1cyl s THR 40 Cb -0.06 -3.24 0.09 0.00 1.34 0.00 0.00 72.50 70.63 1cyl s THR 40 CO 0.32 -0.03 1.83 -0.33 -0.54 0.00 0.00 174.62 175.87 1cyl h GLU 41 N 1.59 0.70 -0.98 3.99 5.08 -1.89 -0.22 114.58 122.85 1cyl h GLU 41 Ca -0.50 -0.04 0.28 0.00 -1.00 0.00 0.00 59.36 58.10 1cyl h GLU 41 Cb 1.27 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 30.33 1cyl h GLU 41 CO 0.58 0.46 0.72 0.87 -1.00 0.00 0.00 179.01 180.64 1cyl h LYS 42 N 0.72 0.00 -0.12 2.33 6.56 -1.95 0.79 116.57 124.89 1cyl h LYS 42 Ca 0.23 0.00 -0.04 0.00 -1.06 0.00 0.00 60.65 59.78 1cyl h LYS 42 Cb -0.00 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 31.66 1cyl h LYS 42 CO -0.09 0.00 -0.09 1.49 -2.06 0.00 0.00 179.45 178.71 1cyl h GLU 43 N 0.00 0.27 0.00 3.15 4.81 -1.39 -2.15 114.58 119.27 1cyl h GLU 43 Ca 0.46 -0.13 -0.01 0.00 -0.13 0.00 0.00 59.36 59.55 1cyl h GLU 43 Cb 1.90 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 31.28 1cyl h GLU 43 CO -0.00 0.64 -0.06 0.00 -0.73 0.00 0.00 179.01 178.86 1cyl h THR 44 N -0.10 0.99 0.00 0.32 1.03 -0.83 0.47 112.91 114.79 1cyl h THR 44 Ca 0.02 -0.21 -0.10 0.00 -0.01 0.00 0.00 66.41 66.11 1cyl h THR 44 Cb 0.58 1.11 -0.01 0.00 -1.07 0.00 0.00 68.15 68.76 1cyl h THR 44 CO 0.02 0.06 -0.49 -0.26 -0.01 0.00 0.00 175.52 174.84 1cyl h PHE 45 N 0.00 0.00 0.05 0.00 0.04 -1.11 -0.61 116.94 115.31 1cyl h PHE 45 Ca -0.00 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 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 0.49 -0.02 0.00 -0.60 0.00 0.00 178.31 178.18 1cyl h ARG 47 N -0.49 0.21 -0.36 0.00 9.65 -1.48 -2.05 114.38 119.87 1cyl h ARG 47 Ca -0.01 -0.13 -0.17 0.00 -1.10 0.00 0.00 59.98 58.58 1cyl h ARG 47 Cb 0.44 0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 29.02 1cyl h ARG 47 CO 0.01 0.69 -0.43 0.00 2.80 0.00 0.00 179.97 183.04 1cyl h ALA 48 N 1.29 0.55 0.00 2.80 0.00 -1.08 -2.75 119.26 120.08 1cyl h ALA 48 Ca 0.00 -0.47 -0.11 0.00 0.00 0.00 0.00 54.91 54.34 1cyl h ALA 48 Cb 0.98 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1cyl h ALA 48 CO 0.08 0.68 -0.51 0.00 0.00 0.00 0.00 179.25 179.50 1cyl h ALA 49 N 0.76 1.13 -0.60 0.00 0.00 -1.03 -2.77 119.26 116.76 1cyl h ALA 49 Ca 0.05 -0.46 -0.07 0.00 0.00 0.00 0.00 54.91 54.43 1cyl h ALA 49 Cb 1.03 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1cyl h ALA 49 CO 0.10 0.63 0.09 1.15 0.00 0.00 0.00 179.25 181.23 1cyl h THR 50 N 0.00 1.26 0.07 0.00 2.02 -1.10 -0.31 112.91 114.85 1cyl h THR 50 Ca -0.01 -1.00 -0.00 0.00 0.77 0.00 0.00 66.41 66.17 1cyl h THR 50 Cb 0.91 0.75 0.00 0.00 -1.74 0.00 0.00 68.15 68.07 1cyl h THR 50 CO 0.07 0.37 -0.04 -0.37 0.37 0.00 0.00 175.52 175.92 1cyl h VAL 51 N 0.90 1.21 0.00 3.16 -1.51 -1.30 -0.91 116.25 117.80 1cyl h VAL 51 Ca 0.18 -1.28 -0.03 0.00 -1.23 0.00 0.00 66.70 64.34 1cyl h VAL 51 Cb 0.43 2.01 -0.00 0.00 -2.13 0.00 0.00 31.29 31.59 1cyl h VAL 51 CO 0.01 0.30 -0.15 -0.07 -1.23 0.00 0.00 177.57 176.44 1cyl h LEU 52 N -0.71 0.00 0.01 4.19 3.38 -1.54 0.26 115.31 120.91 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 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1cyl h LEU 52 CO 0.02 0.15 -0.01 -0.09 0.09 0.00 0.00 178.44 178.60 1cyl h ARG 53 N 0.00 -0.02 -0.04 1.13 1.12 -0.98 -1.37 114.38 114.22 1cyl h ARG 53 Ca -0.00 0.00 -0.12 0.00 -1.11 0.00 0.00 59.98 58.75 1cyl h ARG 53 Cb 0.28 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.23 1cyl h ARG 53 CO 0.02 0.47 -0.52 -0.56 -3.11 0.00 0.00 179.97 176.27 1cyl h GLN 54 N -0.51 0.10 -0.04 0.20 3.07 -0.85 -2.64 115.11 114.44 1cyl h GLN 54 Ca -0.00 -0.06 -0.03 0.00 0.09 0.00 0.00 58.65 58.65 1cyl h GLN 54 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.06 1cyl h GLN 54 CO 0.00 0.60 -0.08 0.35 0.09 0.00 0.00 178.83 179.79 1cyl h PHE 55 N 0.08 0.16 -0.15 0.06 3.04 -0.96 0.95 116.94 120.12 1cyl h PHE 55 Ca -0.00 -0.06 -0.07 0.00 3.98 0.00 0.00 57.97 61.82 1cyl h PHE 55 Cb 0.95 -0.03 -0.00 0.00 2.56 0.00 0.00 35.95 39.43 1cyl h PHE 55 CO 0.01 0.67 -0.19 0.10 -2.02 0.00 0.00 178.31 176.88 1cyl h TYR 56 N -0.39 0.48 0.06 0.41 -0.00 -1.28 0.29 116.97 116.54 1cyl h TYR 56 Ca 0.00 -0.15 -0.00 0.00 -0.00 0.00 0.00 58.73 58.58 1cyl h TYR 56 Cb 0.66 -0.10 0.00 0.00 -0.00 0.00 0.00 36.73 37.29 1cyl h TYR 56 CO 0.12 0.80 -0.03 1.03 -0.00 0.00 0.00 178.16 180.08 1cyl h SER 57 N 0.02 -0.07 0.02 0.10 0.87 -1.57 -1.98 113.55 110.94 1cyl h SER 57 Ca 0.02 -0.52 -0.00 0.00 -1.23 0.00 0.00 61.79 60.06 1cyl h SER 57 Cb 0.74 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.72 1cyl h SER 57 CO 0.04 0.52 -0.01 -0.74 -0.53 0.00 0.00 176.83 176.11 1cyl h HIS 58 N -0.69 -0.03 -0.02 2.24 2.76 -0.91 -3.32 115.15 115.18 1cyl h HIS 58 Ca -0.01 -0.00 -0.12 0.00 -2.20 0.00 0.00 60.37 58.05 1cyl h HIS 58 Cb 0.58 0.01 -0.02 0.00 1.55 0.00 0.00 27.41 29.54 1cyl h HIS 58 CO 0.12 0.57 -0.53 1.25 -1.30 0.00 0.00 177.93 178.04 1cyl h HIS 59 N -0.66 0.06 -1.67 5.26 6.17 -0.30 -3.13 115.15 120.88 1cyl h HIS 59 Ca -0.00 -0.02 0.51 0.00 0.71 0.00 0.00 60.37 61.56 1cyl h HIS 59 Cb 0.61 -0.01 -0.10 0.00 2.52 0.00 0.00 27.41 30.44 1cyl h HIS 59 CO 0.14 0.57 1.17 1.05 0.71 0.00 0.00 177.93 181.57 1cyl h GLU 60 N 0.04 0.02 -3.50 5.26 4.11 -1.08 -2.69 114.58 116.73 1cyl h GLU 60 Ca -0.00 -0.00 -0.67 0.00 0.07 0.00 0.00 59.36 58.76 1cyl h GLU 60 Cb 0.95 -0.00 -0.38 0.00 0.50 0.00 0.00 28.75 29.81 1cyl h GLU 60 CO 0.07 0.01 -0.51 0.15 0.07 0.00 0.00 179.01 178.81 1cyl s LYS 61 N -5.02 2.25 0.00 1.06 1.02 -1.18 -4.71 119.74 113.15 1cyl s LYS 61 Ca -0.06 -2.57 0.00 0.00 0.02 0.00 0.00 55.97 53.36 1cyl s LYS 61 Cb 0.28 -3.51 0.00 0.00 -0.52 0.00 0.00 37.83 34.07 1cyl s LYS 61 CO 0.86 -1.14 0.38 -3.47 -0.92 0.00 0.00 175.35 171.07 1cyl n ASP 62 N 3.30 -0.36 -1.93 2.83 -0.08 -1.02 -4.97 116.55 114.32 1cyl n ASP 62 Ca 0.06 -0.76 -0.11 0.00 -1.51 0.00 0.00 54.79 52.47 1cyl n ASP 62 Cb 0.35 0.11 0.04 0.00 2.34 0.00 0.00 41.12 43.95 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 -1.38 -3.70 5.18 -1.04 -1.26 -4.99 114.28 107.09 1cyl n THR 63 Ca -0.10 0.00 -0.37 0.00 -2.04 0.00 0.00 64.05 61.54 1cyl n THR 63 Cb 0.40 -2.65 -0.09 0.00 -1.82 0.00 0.00 70.33 66.17 1cyl n THR 63 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1cyl s ARG 64 N -5.60 2.56 -1.24 -2.82 1.70 -1.26 -4.58 118.95 107.71 1cyl s ARG 64 Ca 0.27 -2.44 0.00 0.00 -0.47 0.00 0.00 55.73 53.09 1cyl s ARG 64 Cb -0.12 -3.76 0.00 0.00 -0.57 0.00 0.00 34.95 30.50 1cyl s ARG 64 CO 0.33 -1.17 0.00 0.00 -1.08 0.00 0.00 175.30 173.38 1cyl n LEU 66 N -1.33 0.00 0.00 0.00 7.99 -1.26 -4.47 117.00 117.92 1cyl n LEU 66 Ca -0.12 0.37 0.00 0.00 -0.01 0.00 0.00 56.01 56.25 1cyl n LEU 66 Cb 0.42 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.73 1cyl n LEU 66 CO 0.18 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.67 1cyl n GLY 67 N -0.68 1.64 3.04 -0.72 0.00 -1.26 -4.06 105.19 103.14 1cyl n GLY 67 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.00 0.00 0.00 4.61 0.00 -1.26 -4.40 120.51 116.46 1cyl n ALA 68 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1cyl n ALA 68 Cb 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 18.55 1cyl n ALA 68 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1cyl n THR 69 N -2.20 0.00 -0.21 0.00 -2.24 -1.26 -4.84 114.28 103.53 1cyl n THR 69 Ca 0.00 0.00 0.31 0.00 -2.27 0.00 0.00 64.05 62.09 1cyl n THR 69 Cb 0.22 0.00 0.72 0.00 -2.10 0.00 0.00 70.33 69.16 1cyl n THR 69 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1cyl h ALA 70 N 0.00 2.87 -0.11 6.98 0.00 -1.98 1.18 119.26 128.19 1cyl h ALA 70 Ca 0.00 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1cyl h ALA 70 Cb 0.00 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1cyl h ALA 70 CO 0.00 -1.29 -0.09 1.96 0.00 0.00 0.00 179.25 179.83 1cyl h GLN 71 N 0.00 0.26 -0.78 0.00 1.08 -1.92 -2.58 115.11 111.16 1cyl h GLN 71 Ca 0.47 -0.13 0.20 0.00 -1.45 0.00 0.00 58.65 57.74 1cyl h GLN 71 Cb 2.04 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 29.43 1cyl h GLN 71 CO -0.00 0.65 0.54 1.96 -0.95 0.00 0.00 178.83 181.02 1cyl h GLN 72 N -0.13 0.18 -0.38 1.46 7.50 0.11 -0.32 115.11 123.53 1cyl h GLN 72 Ca 0.02 -0.01 -0.06 0.00 0.50 0.00 0.00 58.65 59.09 1cyl h GLN 72 Cb 0.59 -0.04 -0.01 0.00 0.05 0.00 0.00 27.48 28.07 1cyl h GLN 72 CO 0.02 0.12 -0.02 0.35 -1.50 0.00 0.00 178.83 177.80 1cyl h PHE 73 N 0.18 0.75 -0.33 2.96 3.57 -0.83 -0.08 116.94 123.16 1cyl h PHE 73 Ca 0.38 -0.14 -0.15 0.00 3.53 0.00 0.00 57.97 61.60 1cyl h PHE 73 Cb 1.24 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.78 1cyl h PHE 73 CO -0.00 0.78 -0.41 1.25 -2.23 0.00 0.00 178.31 177.70 1cyl h HIS 74 N 0.50 0.97 -0.00 0.41 2.76 -0.94 -2.22 115.15 116.62 1cyl h HIS 74 Ca 0.11 -0.29 -0.11 0.00 -2.20 0.00 0.00 60.37 57.87 1cyl h HIS 74 Cb 0.49 -0.20 -0.02 0.00 1.55 0.00 0.00 27.41 29.24 1cyl h HIS 74 CO 0.04 1.08 -0.51 -0.09 -1.30 0.00 0.00 177.93 177.14 1cyl h ARG 75 N 0.66 0.01 0.02 5.26 2.43 -1.31 -0.94 114.38 120.51 1cyl h ARG 75 Ca 0.05 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1cyl h ARG 75 Cb 0.97 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.52 1cyl h ARG 75 CO 0.09 0.52 -0.01 1.25 -1.51 0.00 0.00 179.97 180.31 1cyl h HIS 76 N 0.01 -0.02 0.00 2.20 2.76 -0.76 -2.71 115.15 116.63 1cyl h HIS 76 Ca -0.00 -0.00 -0.10 0.00 -2.20 0.00 0.00 60.37 58.06 1cyl h HIS 76 Cb 0.91 0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.86 1cyl h HIS 76 CO 0.00 0.48 -0.48 0.87 -1.30 0.00 0.00 177.93 177.50 1cyl h LYS 77 N -0.53 0.00 -0.31 5.26 1.79 -1.37 -2.81 116.57 118.60 1cyl h LYS 77 Ca -0.00 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.40 1cyl h LYS 77 Cb 0.51 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.15 1cyl h LYS 77 CO 0.00 0.48 -0.09 0.37 -1.08 0.00 0.00 179.45 179.13 1cyl h GLN 78 N 0.00 0.60 -0.18 3.15 4.15 -1.16 -0.40 115.11 121.28 1cyl h GLN 78 Ca -0.00 -0.24 -0.10 0.00 0.77 0.00 0.00 58.65 59.08 1cyl h GLN 78 Cb 0.87 -0.03 -0.00 0.00 0.21 0.00 0.00 27.48 28.52 1cyl h GLN 78 CO 0.06 0.80 -0.26 -0.07 -1.93 0.00 0.00 178.83 177.43 1cyl h LEU 79 N 0.37 0.54 -1.31 -2.39 3.38 -1.46 -1.66 115.31 112.77 1cyl h LEU 79 Ca 0.07 -0.52 -0.07 0.00 0.09 0.00 0.00 57.88 57.46 1cyl h LEU 79 Cb 0.59 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1cyl h LEU 79 CO 0.03 0.95 -0.33 0.40 0.09 0.00 0.00 178.44 179.58 1cyl h ILE 80 N 0.14 1.12 0.02 1.22 1.08 -1.53 0.61 117.51 120.18 1cyl h ILE 80 Ca 0.02 -1.19 -0.00 0.00 -0.39 0.00 0.00 64.86 63.29 1cyl h ILE 80 Cb 0.83 1.66 0.00 0.00 -3.07 0.00 0.00 36.82 36.25 1cyl h ILE 80 CO 0.06 0.33 -0.01 -0.09 -0.69 0.00 0.00 178.15 177.75 1cyl h ARG 81 N 0.00 -0.02 0.00 2.37 2.43 -0.92 0.85 114.38 119.09 1cyl h ARG 81 Ca -0.00 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.11 1cyl h ARG 81 Cb 0.64 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.18 1cyl h ARG 81 CO 0.04 0.45 -0.27 0.74 -1.51 0.00 0.00 179.97 179.43 1cyl h PHE 82 N -0.51 0.00 -0.17 2.20 0.04 -1.12 -0.93 116.94 116.44 1cyl h PHE 82 Ca -0.00 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.68 1cyl h PHE 82 Cb 0.48 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.62 1cyl h PHE 82 CO 0.09 0.27 -0.29 -0.07 -0.60 0.00 0.00 178.31 177.71 1cyl h LEU 83 N 0.00 0.34 -0.14 1.54 3.38 0.61 -2.80 115.31 118.23 1cyl h LEU 83 Ca -0.00 -0.11 -0.09 0.00 0.09 0.00 0.00 57.88 57.77 1cyl h LEU 83 Cb 0.50 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1cyl h LEU 83 CO 0.03 0.62 -0.26 0.50 0.09 0.00 0.00 178.44 179.43 1cyl h LYS 84 N 0.29 0.42 -0.87 1.13 3.64 0.47 -2.27 116.57 119.38 1cyl h LYS 84 Ca 0.04 -0.27 0.16 0.00 -1.27 0.00 0.00 60.65 59.32 1cyl h LYS 84 Cb 0.66 0.03 -0.10 0.00 -0.41 0.00 0.00 32.23 32.41 1cyl h LYS 84 CO 0.05 0.86 0.44 0.00 -2.27 0.00 0.00 179.45 178.54 1cyl h ARG 85 N 0.02 0.58 -0.06 1.90 3.08 -1.09 0.21 114.38 119.03 1cyl h ARG 85 Ca 0.01 -0.03 -0.12 0.00 0.07 0.00 0.00 59.98 59.90 1cyl h ARG 85 Cb 0.84 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.75 1cyl h ARG 85 CO 0.06 0.38 -0.51 1.25 -1.07 0.00 0.00 179.97 180.08 1cyl h LEU 86 N 0.60 0.16 0.00 3.04 5.85 -1.41 -2.27 115.31 121.28 1cyl h LEU 86 Ca 0.49 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 59.13 1cyl h LEU 86 Cb 0.74 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.73 1cyl h LEU 86 CO -0.39 0.65 -0.00 -0.78 -0.34 0.00 0.00 178.44 177.58 1cyl h ASP 87 N 0.12 -0.01 -0.46 1.25 3.58 -0.02 -0.68 116.42 120.21 1cyl h ASP 87 Ca 0.00 -0.53 -0.14 0.00 0.42 0.00 0.00 57.03 56.78 1cyl h ASP 87 Cb 0.95 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.99 1cyl h ASP 87 CO 0.07 0.53 -0.25 0.08 -2.88 0.00 0.00 179.24 176.80 1cyl h ARG 88 N -0.54 0.98 -0.09 0.28 0.11 -1.38 -3.25 114.38 110.48 1cyl h ARG 88 Ca -0.00 -0.44 -0.05 0.00 0.10 0.00 0.00 59.98 59.59 1cyl h ARG 88 Cb 0.54 -0.02 -0.00 0.00 1.11 0.00 0.00 29.97 31.59 1cyl h ARG 88 CO 0.00 1.11 -0.15 -0.97 0.10 0.00 0.00 179.97 180.06 1cyl h ASN 89 N 0.84 0.30 -1.03 0.08 -0.00 -1.48 -3.17 115.58 111.11 1cyl h ASN 89 Ca 0.10 -0.54 0.30 0.00 -0.00 0.00 0.00 56.30 56.16 1cyl h ASN 89 Cb 0.83 -0.08 -0.04 0.00 -0.00 0.00 0.00 38.32 39.03 1cyl h ASN 89 CO 0.07 0.78 0.75 -0.07 -0.00 0.00 0.00 177.43 178.96 1cyl h LEU 90 N -0.18 0.00 -0.37 0.34 3.38 -1.15 0.28 115.31 117.61 1cyl h LEU 90 Ca 0.01 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.80 1cyl h LEU 90 Cb 0.72 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.47 1cyl h LEU 90 CO 0.03 0.00 -0.52 -0.50 0.09 0.00 0.00 178.44 177.55 1cyl h TRP 91 N 0.00 1.01 0.05 1.13 4.06 -1.59 0.92 115.95 121.53 1cyl h TRP 91 Ca 0.49 -0.35 -0.00 0.00 2.06 0.00 0.00 58.89 61.09 1cyl h TRP 91 Cb 1.98 -0.19 0.00 0.00 -1.00 0.00 0.00 29.16 29.95 1cyl h TRP 91 CO 0.00 1.15 -0.02 0.78 -3.56 0.00 0.00 178.44 176.79 1cyl h GLY 92 N 0.80 -0.07 0.94 1.49 0.00 -0.57 -3.31 103.07 102.35 1cyl h GLY 92 Ca 0.02 0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.37 1cyl h GLY 92 CO 0.11 -0.02 0.11 -2.00 0.00 0.00 0.00 176.54 174.74 1cyl h LEU 93 N -0.65 0.26 0.00 3.11 5.85 -1.39 -3.47 115.31 119.02 1cyl h LEU 93 Ca -0.01 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.62 1cyl h LEU 93 Cb 0.57 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.53 1cyl h LEU 93 CO 0.01 0.28 0.00 0.00 -0.34 0.00 0.00 178.44 178.40 1cyl n ALA 94 N -2.20 0.29 -2.96 1.25 0.00 -0.34 -4.99 120.51 111.56 1cyl n ALA 94 Ca -0.03 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.24 1cyl n ALA 94 Cb 0.08 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.50 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 -0.14 -0.34 1.70 0.00 0.00 0.31 -4.50 105.19 102.22 1cyl n GLY 95 Ca 0.00 0.03 -0.21 0.00 0.00 0.00 0.00 46.02 45.84 1cyl n GLY 95 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1cyl n LEU 96 N -2.59 -1.79 -2.12 0.99 0.00 -1.22 -4.48 117.00 105.79 1cyl n LEU 96 Ca 0.05 0.37 -0.26 0.00 0.00 0.00 0.00 56.01 56.16 1cyl n LEU 96 Cb 0.36 -0.45 0.07 0.00 0.00 0.00 0.00 43.42 43.41 1cyl n LEU 96 CO 0.38 -2.41 1.33 0.59 0.00 0.00 0.00 177.39 177.28 1cyl n ASN 97 N 1.28 6.78 -3.20 1.96 3.02 -1.26 -4.45 115.26 119.39 1cyl n ASN 97 Ca 0.05 -3.45 0.01 0.00 -0.03 0.00 0.00 54.58 51.15 1cyl n ASN 97 Cb 0.23 -0.99 -0.01 0.00 -0.61 0.00 0.00 39.78 38.41 1cyl n ASN 97 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1cyl s SER 98 N -0.94 -1.34 -0.57 6.41 0.01 -1.26 -5.06 113.70 110.95 1cyl s SER 98 Ca 0.50 -0.37 0.06 0.00 1.31 0.00 0.00 55.95 57.45 1cyl s SER 98 Cb 0.39 1.88 0.30 0.00 0.21 0.00 0.00 66.02 68.80 1cyl s SER 98 CO 0.00 -0.24 0.81 0.00 0.41 0.00 0.00 173.24 174.22 1cyl n PRO 100 N 0.41 2.91 0.09 0.00 -0.04 -1.26 -4.38 135.00 132.72 1cyl n PRO 100 Ca 0.29 -3.00 0.00 0.00 -0.04 0.00 0.00 63.50 60.75 1cyl n PRO 100 Cb 0.44 -3.46 0.00 0.00 -0.04 0.00 0.00 33.50 30.44 1cyl n PRO 100 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1cyl n VAL 101 N 6.24 0.11 -1.57 0.52 3.14 -1.26 -5.12 118.33 120.39 1cyl n VAL 101 Ca 0.49 0.04 -0.00 0.00 -2.96 0.00 0.00 64.34 61.90 1cyl n VAL 101 Cb 0.44 -0.64 0.00 0.00 -1.06 0.00 0.00 33.84 32.58 1cyl n VAL 101 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 1cyl n LYS 102 N -3.16 -0.13 -2.93 1.45 3.00 -1.26 -4.95 118.16 110.18 1cyl n LYS 102 Ca 0.00 0.59 -0.44 0.00 -0.00 0.00 0.00 58.31 58.46 1cyl n LYS 102 Cb 0.02 -1.65 -0.03 0.00 0.00 0.00 0.00 35.03 33.38 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 -0.94 3.60 0.17 1.64 2.56 -1.26 -4.88 118.70 119.58 1cyl s GLU 103 Ca 0.01 -1.77 -0.18 0.00 0.00 0.00 0.00 54.97 53.03 1cyl s GLU 103 Cb -0.00 -4.91 0.10 0.00 2.00 0.00 0.00 34.13 31.32 1cyl s GLU 103 CO 0.04 -1.77 1.65 0.00 -0.56 0.00 0.00 175.26 174.62 1cyl h ALA 104 N 8.82 0.18 -2.08 6.30 0.00 -2.04 -3.42 119.26 127.02 1cyl h ALA 104 Ca 0.15 0.15 -0.58 0.00 0.00 0.00 0.00 54.91 54.64 1cyl h ALA 104 Cb 1.02 0.40 0.20 0.00 0.00 0.00 0.00 17.79 19.41 1cyl h ALA 104 CO 1.10 -0.51 -1.25 0.09 0.00 0.00 0.00 179.25 178.68 1cyl n ASN 105 N -5.35 -4.00 -3.80 0.00 3.02 -1.26 -4.98 115.26 98.89 1cyl n ASN 105 Ca 0.02 0.48 -0.09 0.00 -0.03 0.00 0.00 54.58 54.97 1cyl n ASN 105 Cb 0.26 -0.89 -0.04 0.00 -0.61 0.00 0.00 39.78 38.50 1cyl n ASN 105 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1cyl s GLN 106 N -1.67 1.71 0.00 3.52 -0.21 -1.26 -4.59 119.66 117.15 1cyl s GLN 106 Ca 0.53 -1.24 0.00 0.00 0.02 0.00 0.00 55.36 54.67 1cyl s GLN 106 Cb -0.36 0.52 0.00 0.00 1.00 0.00 0.00 33.01 34.17 1cyl s GLN 106 CO 0.70 -0.74 0.00 0.45 -2.12 0.00 0.00 175.29 173.58 1cyl n SER 107 N -0.58 0.00 -4.83 5.90 2.88 -1.25 -4.93 113.62 110.81 1cyl n SER 107 Ca -0.03 -0.88 -0.36 0.00 -1.33 0.00 0.00 58.87 56.27 1cyl n SER 107 Cb 0.61 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 64.01 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 -2.59 4.82 0.54 2.46 -4.23 -1.26 -3.09 115.64 112.29 1cyl s THR 108 Ca 0.00 0.94 0.23 0.00 -1.18 0.00 0.00 61.69 61.68 1cyl s THR 108 Cb 0.00 -3.78 0.35 0.00 1.34 0.00 0.00 72.50 70.42 1cyl s THR 108 CO 0.00 0.33 2.06 0.25 -0.54 0.00 0.00 174.62 176.72 1cyl h LEU 109 N 3.84 0.00 -0.94 4.79 6.46 -1.81 0.65 115.31 128.30 1cyl h LEU 109 Ca -0.49 0.00 0.21 0.00 -0.12 0.00 0.00 57.88 57.48 1cyl h LEU 109 Cb 1.20 0.00 -0.12 0.00 -0.73 0.00 0.00 40.66 41.01 1cyl h LEU 109 CO 0.65 0.00 0.49 -0.08 -0.62 0.00 0.00 178.44 178.88 1cyl h GLU 110 N 0.00 0.53 -0.11 1.25 4.22 -1.84 0.23 114.58 118.86 1cyl h GLU 110 Ca 0.15 -0.03 -0.06 0.00 0.08 0.00 0.00 59.36 59.50 1cyl h GLU 110 Cb 0.64 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 1cyl h GLU 110 CO -0.00 0.35 -0.16 -0.97 -2.18 0.00 0.00 179.01 176.05 1cyl h ASN 111 N 0.55 0.33 -1.01 1.04 -0.73 -1.25 -2.68 115.58 111.84 1cyl h ASN 111 Ca 0.57 -0.53 0.24 0.00 1.87 0.00 0.00 56.30 58.45 1cyl h ASN 111 Cb 1.01 -0.10 -0.11 0.00 0.27 0.00 0.00 38.32 39.40 1cyl h ASN 111 CO -0.46 0.80 0.62 0.15 -0.37 0.00 0.00 177.43 178.16 1cyl h PHE 112 N -0.12 0.91 -0.16 0.67 3.57 -0.40 0.71 116.94 122.11 1cyl h PHE 112 Ca 0.01 0.03 -0.16 0.00 3.53 0.00 0.00 57.97 61.39 1cyl h PHE 112 Cb 0.72 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.19 1cyl h PHE 112 CO 0.10 0.10 -0.55 1.25 -2.23 0.00 0.00 178.31 176.98 1cyl h LEU 113 N 0.56 0.55 0.05 0.59 7.12 -0.97 0.30 115.31 123.51 1cyl h LEU 113 Ca 0.61 -0.29 -0.00 0.00 0.13 0.00 0.00 57.88 58.33 1cyl h LEU 113 Cb 1.24 -0.16 0.00 0.00 -0.53 0.00 0.00 40.66 41.21 1cyl h LEU 113 CO -0.40 0.98 -0.03 -0.08 -0.13 0.00 0.00 178.44 178.79 1cyl h GLU 114 N 0.38 -0.07 0.14 1.25 4.22 0.50 -2.57 114.58 118.43 1cyl h GLU 114 Ca 0.01 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.44 1cyl h GLU 114 Cb 1.08 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1cyl h GLU 114 CO 0.10 0.45 -0.07 -0.09 -2.18 0.00 0.00 179.01 177.22 1cyl h ARG 115 N -0.63 -0.18 -0.71 1.92 2.43 -0.22 -0.33 114.38 116.67 1cyl h ARG 115 Ca -0.01 0.01 0.15 0.00 -0.81 0.00 0.00 59.98 59.32 1cyl h ARG 115 Cb 0.55 0.04 -0.10 0.00 -0.42 0.00 0.00 29.97 30.04 1cyl h ARG 115 CO 0.01 -0.02 0.19 -0.07 -1.51 0.00 0.00 179.97 178.57 1cyl h LEU 116 N -0.30 0.06 -1.17 3.80 3.38 -1.02 0.35 115.31 120.40 1cyl h LEU 116 Ca -0.02 0.13 -0.09 0.00 0.09 0.00 0.00 57.88 58.00 1cyl h LEU 116 Cb 0.24 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1cyl h LEU 116 CO 0.03 -0.00 -0.41 0.50 0.09 0.00 0.00 178.44 178.65 1cyl h LYS 117 N 0.30 0.00 -0.17 1.13 3.64 -1.07 -3.09 116.57 117.31 1cyl h LYS 117 Ca 0.39 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.75 1cyl h LYS 117 Cb 0.64 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.45 1cyl h LYS 117 CO -0.47 0.41 0.03 1.15 -2.27 0.00 0.00 179.45 178.30 1cyl h THR 118 N 0.00 1.22 -0.10 1.00 2.02 0.14 -0.87 112.91 116.32 1cyl h THR 118 Ca -0.00 -0.73 0.02 0.00 0.77 0.00 0.00 66.41 66.47 1cyl h THR 118 Cb 0.74 1.38 -0.02 0.00 -1.74 0.00 0.00 68.15 68.50 1cyl h THR 118 CO 0.05 0.22 -0.04 0.40 0.37 0.00 0.00 175.52 176.52 1cyl h ILE 119 N 0.07 0.85 -0.24 3.11 5.03 -1.23 -1.33 117.51 123.77 1cyl h ILE 119 Ca 0.05 0.00 -0.03 0.00 -0.12 0.00 0.00 64.86 64.76 1cyl h ILE 119 Cb 0.31 0.85 -0.01 0.00 -3.03 0.00 0.00 36.82 34.94 1cyl h ILE 119 CO 0.00 0.00 0.01 0.24 -0.68 0.00 0.00 178.15 177.72 1cyl h MET 120 N -0.03 0.35 -0.62 2.37 2.86 -1.49 -0.94 114.93 117.43 1cyl h MET 120 Ca 0.06 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 1cyl h MET 120 Cb 0.11 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.68 1cyl h MET 120 CO -0.12 0.38 0.23 0.00 1.06 0.00 0.00 176.91 178.46 1cyl h ARG 121 N 0.35 0.91 0.04 1.72 2.47 -0.22 0.48 114.38 120.13 1cyl h ARG 121 Ca 0.08 -0.15 -0.00 0.00 -1.26 0.00 0.00 59.98 58.65 1cyl h ARG 121 Cb 0.23 -0.16 0.00 0.00 -1.65 0.00 0.00 29.97 28.39 1cyl h ARG 121 CO 0.00 0.76 -0.02 0.93 0.56 0.00 0.00 179.97 182.20 1cyl h GLU 122 N 0.90 -0.05 0.00 0.04 5.08 -0.15 -2.29 114.58 118.10 1cyl h GLU 122 Ca 0.21 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.53 1cyl h GLU 122 Cb 0.19 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1cyl h GLU 122 CO -0.02 0.44 -0.21 -0.22 -1.00 0.00 0.00 179.01 178.00 1cyl h LYS 123 N -0.56 0.00 -0.03 2.33 1.63 -1.14 -1.72 116.57 117.10 1cyl h LYS 123 Ca -0.01 0.00 -0.12 0.00 -0.85 0.00 0.00 60.65 59.68 1cyl h LYS 123 Cb 0.51 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.12 1cyl h LYS 123 CO 0.01 0.21 -0.53 -0.92 -3.45 0.00 0.00 179.45 174.76 1cyl h TYR 124 N 0.00 0.09 0.00 1.91 3.20 -0.84 -2.48 116.97 118.85 1cyl h TYR 124 Ca -0.00 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.84 1cyl h TYR 124 Cb 0.37 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.62 1cyl h TYR 124 CO 0.00 0.59 0.00 0.43 -1.64 0.00 0.00 178.16 177.54 1cyl n SER 125 N -3.91 0.00 -0.46 -2.11 7.64 -0.69 -2.97 113.62 111.12 1cyl n SER 125 Ca -0.02 0.08 0.41 0.00 1.01 0.00 0.00 58.87 60.35 1cyl n SER 125 Cb 0.55 -0.08 0.67 0.00 -1.01 0.00 0.00 64.21 64.34 1cyl n SER 125 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1cyl h LYS 126 N 0.00 0.00 0.14 1.43 6.56 -1.62 0.63 116.57 123.71 1cyl h LYS 126 Ca 0.00 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.58 1cyl h LYS 126 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.66 1cyl h LYS 126 CO 0.00 0.00 -0.07 0.00 -2.06 0.00 0.00 179.45 177.32 1cyl s SER 128 N -5.38 6.52 0.00 0.00 0.15 0.22 -4.63 113.70 110.57 1cyl s SER 128 Ca -0.15 2.67 0.09 0.00 0.70 0.00 0.00 55.95 59.27 1cyl s SER 128 Cb 0.02 -2.58 0.55 0.00 -1.71 0.00 0.00 66.02 62.30 1cyl s SER 128 CO 0.60 -0.90 1.00 -0.24 1.20 0.00 0.00 173.24 174.90