#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 -4.85 -1.74 1.57 4.81 -1.26 -4.80 118.16 111.90 1cyl n LYS 2 Ca 0.00 3.51 -0.41 0.00 -0.87 0.00 0.00 58.31 60.54 1cyl n LYS 2 Cb 0.00 -3.87 0.01 0.00 0.02 0.00 0.00 35.03 31.19 1cyl n LYS 2 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1cyl s ASP 4 N -0.41 3.24 0.31 0.00 1.11 -1.26 -5.03 116.67 114.62 1cyl s ASP 4 Ca 0.59 -1.33 0.12 0.00 0.18 0.00 0.00 52.55 52.11 1cyl s ASP 4 Cb -0.48 -0.26 0.50 0.00 1.07 0.00 0.00 42.92 43.75 1cyl s ASP 4 CO 0.59 -0.45 1.69 0.40 1.18 0.00 0.00 175.17 178.58 1cyl h ILE 5 N 1.98 1.35 -0.60 0.77 1.08 -2.00 -3.16 117.51 116.94 1cyl h ILE 5 Ca -0.42 -1.79 0.12 0.00 -0.39 0.00 0.00 64.86 62.38 1cyl h ILE 5 Cb 1.24 1.97 -0.10 0.00 -3.07 0.00 0.00 36.82 36.86 1cyl h ILE 5 CO 0.74 0.51 -0.00 0.74 -0.69 0.00 0.00 178.15 179.45 1cyl h THR 6 N 0.00 0.51 0.02 -0.27 2.02 -1.99 -1.00 112.91 112.20 1cyl h THR 6 Ca -0.01 -0.04 -0.00 0.00 0.77 0.00 0.00 66.41 67.13 1cyl h THR 6 Cb 0.93 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 67.73 1cyl h THR 6 CO 0.07 0.02 -0.01 0.17 0.37 0.00 0.00 175.52 176.14 1cyl h LEU 7 N 0.12 -0.02 -1.50 2.58 -0.00 -1.98 -1.79 115.31 112.72 1cyl h LEU 7 Ca 0.31 -0.51 0.29 0.00 -0.00 0.00 0.00 57.88 57.97 1cyl h LEU 7 Cb 0.49 0.01 -0.09 0.00 -0.00 0.00 0.00 40.66 41.07 1cyl h LEU 7 CO -0.51 0.50 0.71 1.56 -0.00 0.00 0.00 178.44 180.71 1cyl h GLN 8 N -0.55 0.28 -0.03 0.17 4.20 -1.43 0.18 115.11 117.93 1cyl h GLN 8 Ca -0.00 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 1cyl h GLN 8 Cb 0.53 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.24 1cyl h GLN 8 CO 0.00 0.19 -0.06 0.93 -0.67 0.00 0.00 178.83 179.22 1cyl h GLU 9 N 0.29 0.09 -0.23 1.46 5.08 -1.05 -3.27 114.58 116.96 1cyl h GLU 9 Ca 0.60 -0.06 0.05 0.00 -1.00 0.00 0.00 59.36 58.94 1cyl h GLU 9 Cb 1.71 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.92 1cyl h GLU 9 CO -0.24 0.65 -0.06 0.82 -1.00 0.00 0.00 179.01 179.17 1cyl h ILE 10 N -0.45 0.76 -1.02 3.13 5.03 0.21 0.07 117.51 125.24 1cyl h ILE 10 Ca 0.00 0.00 0.28 0.00 -0.12 0.00 0.00 64.86 65.02 1cyl h ILE 10 Cb 0.64 0.76 -0.05 0.00 -3.03 0.00 0.00 36.82 35.14 1cyl h ILE 10 CO 0.01 0.00 0.72 0.40 -0.68 0.00 0.00 178.15 178.60 1cyl h ILE 11 N -0.01 0.51 -0.49 -0.67 2.04 -1.38 0.43 117.51 117.93 1cyl h ILE 11 Ca 0.11 -0.04 -0.02 0.00 1.00 0.00 0.00 64.86 65.91 1cyl h ILE 11 Cb 0.18 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 36.61 1cyl h ILE 11 CO -0.24 0.02 0.23 0.50 0.00 0.00 0.00 178.15 178.66 1cyl h LYS 12 N 0.12 0.72 -0.00 2.37 3.64 -1.03 -0.99 116.57 121.40 1cyl h LYS 12 Ca 0.51 -0.11 -0.00 0.00 -1.27 0.00 0.00 60.65 59.78 1cyl h LYS 12 Cb 1.80 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 33.50 1cyl h LYS 12 CO -0.08 0.61 -0.00 1.15 -2.27 0.00 0.00 179.45 178.86 1cyl h THR 13 N 0.65 1.39 -0.74 1.00 2.02 -0.10 -1.97 112.91 115.17 1cyl h THR 13 Ca 0.17 -1.15 0.16 0.00 0.77 0.00 0.00 66.41 66.36 1cyl h THR 13 Cb 0.14 2.17 -0.05 0.00 -1.74 0.00 0.00 68.15 68.68 1cyl h THR 13 CO -0.02 0.30 0.50 -0.07 0.37 0.00 0.00 175.52 176.60 1cyl h LEU 14 N -0.48 0.30 0.00 2.58 4.07 -1.16 -1.38 115.31 119.24 1cyl h LEU 14 Ca 0.00 0.02 -0.00 0.00 0.08 0.00 0.00 57.88 57.98 1cyl h LEU 14 Cb 0.49 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.19 1cyl h LEU 14 CO 0.00 0.15 -0.00 0.78 -1.08 0.00 0.00 178.44 178.29 1cyl h ASN 15 N 0.32 -0.00 -0.21 -0.43 4.21 -0.99 -2.77 115.58 115.70 1cyl h ASN 15 Ca 0.36 -0.55 0.05 0.00 1.21 0.00 0.00 56.30 57.37 1cyl h ASN 15 Cb 0.97 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 38.12 1cyl h ASN 15 CO -0.10 0.55 -0.08 0.77 -1.29 0.00 0.00 177.43 177.28 1cyl h SER 16 N -0.56 -0.27 -0.19 5.81 4.64 -0.49 -0.15 113.55 122.34 1cyl h SER 16 Ca -0.00 0.07 0.06 0.00 -0.47 0.00 0.00 61.79 61.45 1cyl h SER 16 Cb 0.55 0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.80 1cyl h SER 16 CO 0.00 -0.10 0.14 -0.07 -0.87 0.00 0.00 176.83 175.93 1cyl h LEU 17 N -0.04 0.00 -0.11 5.97 3.38 -1.45 -2.05 115.31 121.01 1cyl h LEU 17 Ca 0.11 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 1cyl h LEU 17 Cb 0.20 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 1cyl h LEU 17 CO -0.24 0.00 -0.13 0.74 0.09 0.00 0.00 178.44 178.90 1cyl h THR 18 N 0.00 1.36 -0.70 0.22 2.02 -0.76 -2.85 112.91 112.20 1cyl h THR 18 Ca 0.09 -1.32 0.20 0.00 0.77 0.00 0.00 66.41 66.15 1cyl h THR 18 Cb 0.37 1.97 -0.03 0.00 -1.74 0.00 0.00 68.15 68.73 1cyl h THR 18 CO -0.00 0.38 0.53 -0.08 0.37 0.00 0.00 175.52 176.72 1cyl h GLU 19 N -0.11 0.00 -4.58 6.66 4.57 -0.58 -3.33 114.58 117.21 1cyl h GLU 19 Ca 0.02 0.00 -0.64 0.00 -1.18 0.00 0.00 59.36 57.56 1cyl h GLU 19 Cb 0.67 0.00 -0.38 0.00 -0.16 0.00 0.00 28.75 28.89 1cyl h GLU 19 CO 0.03 0.00 -0.79 1.14 -1.18 0.00 0.00 179.01 178.21 1cyl s GLN 20 N -4.94 1.90 0.00 1.92 -2.07 -1.07 -4.99 119.66 110.41 1cyl s GLN 20 Ca -0.05 -1.15 0.00 0.00 -1.82 0.00 0.00 55.36 52.35 1cyl s GLN 20 Cb 0.20 -2.72 0.00 0.00 -1.09 0.00 0.00 33.01 29.40 1cyl s GLN 20 CO 0.73 -0.58 0.00 1.17 -1.32 0.00 0.00 175.29 175.28 1cyl n LYS 21 N 4.57 0.00 0.00 9.60 4.81 -1.25 -4.73 118.16 131.15 1cyl n LYS 21 Ca -0.13 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.31 1cyl n LYS 21 Cb 0.43 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.48 1cyl n LYS 21 CO 0.00 0.00 0.00 -2.37 1.17 0.00 0.00 177.40 176.20 1cyl n THR 22 N 0.00 0.00 1.43 3.15 5.66 -1.26 -4.41 114.28 118.84 1cyl n THR 22 Ca 0.00 0.17 0.02 0.00 -3.05 0.00 0.00 64.05 61.19 1cyl n THR 22 Cb 0.00 -1.16 0.07 0.00 -1.55 0.00 0.00 70.33 67.69 1cyl n THR 22 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1cyl n LEU 23 N -1.84 0.94 -0.04 1.09 4.77 -1.26 -4.12 117.00 116.53 1cyl n LEU 23 Ca 0.00 -0.47 -0.04 0.00 -0.03 0.00 0.00 56.01 55.47 1cyl n LEU 23 Cb 0.00 -0.14 -0.01 0.00 -2.33 0.00 0.00 43.42 40.94 1cyl n LEU 23 CO 0.00 0.22 -0.29 0.00 -1.33 0.00 0.00 177.39 175.99 1cyl n THR 25 N -3.58 0.00 0.00 0.00 -2.24 -1.26 -2.05 114.28 105.15 1cyl n THR 25 Ca -0.06 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.25 1cyl n THR 25 Cb 0.22 -0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.44 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 2.44 0.00 -0.71 -0.78 0.00 -1.26 -4.81 120.64 115.52 1cyl n GLU 26 Ca -0.02 0.00 -0.26 0.00 0.00 0.00 0.00 57.16 56.88 1cyl n GLU 26 Cb 0.57 -0.91 0.11 0.00 0.00 0.00 0.00 31.44 31.22 1cyl n GLU 26 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1cyl n LEU 27 N 0.00 -2.14 -4.53 4.31 4.77 -0.87 -4.41 117.00 114.13 1cyl n LEU 27 Ca 0.00 -0.18 -0.34 0.00 -0.03 0.00 0.00 56.01 55.46 1cyl n LEU 27 Cb 0.00 -0.74 -0.11 0.00 -2.33 0.00 0.00 43.42 40.24 1cyl n LEU 27 CO 0.00 -2.89 -0.32 0.42 -1.33 0.00 0.00 177.39 173.27 1cyl s THR 28 N -2.10 4.18 0.06 -5.08 -4.23 -1.26 -0.78 115.64 106.43 1cyl s THR 28 Ca 0.39 -0.25 -0.06 0.00 -1.18 0.00 0.00 61.69 60.60 1cyl s THR 28 Cb -0.03 -2.87 -0.01 0.00 1.34 0.00 0.00 72.50 70.93 1cyl s THR 28 CO 0.49 0.47 0.10 0.68 -0.54 0.00 0.00 174.62 175.81 1cyl s VAL 29 N 0.53 0.16 0.19 2.29 -7.23 -0.73 -4.76 120.40 110.84 1cyl s VAL 29 Ca -0.01 -1.28 -0.30 0.00 -1.81 0.00 0.00 61.98 58.58 1cyl s VAL 29 Cb -0.14 -1.18 -0.17 0.00 0.56 0.00 0.00 36.38 35.46 1cyl s VAL 29 CO 0.02 -0.71 0.79 0.41 -0.31 0.00 0.00 175.10 175.31 1cyl n THR 30 N 0.35 1.58 -3.35 5.32 -1.04 -1.26 -2.49 114.28 113.39 1cyl n THR 30 Ca -0.17 -0.39 -0.28 0.00 -2.04 0.00 0.00 64.05 61.17 1cyl n THR 30 Cb 0.60 -0.35 -0.03 0.00 -1.82 0.00 0.00 70.33 68.74 1cyl n THR 30 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1cyl s ASP 31 N -0.63 6.42 0.00 8.00 2.15 -1.26 -4.62 116.67 126.74 1cyl s ASP 31 Ca 0.68 0.67 0.00 0.00 0.43 0.00 0.00 52.55 54.32 1cyl s ASP 31 Cb -0.91 -2.12 0.00 0.00 -0.30 0.00 0.00 42.92 39.58 1cyl s ASP 31 CO 0.56 -0.20 0.00 2.30 -0.17 0.00 0.00 175.17 177.66 1cyl n ILE 32 N -1.04 0.00 -0.49 4.11 -5.35 -1.26 -4.61 119.36 110.72 1cyl n ILE 32 Ca -0.02 0.00 0.37 0.00 -0.27 0.00 0.00 62.75 62.83 1cyl n ILE 32 Cb 0.54 0.00 0.58 0.00 -1.74 0.00 0.00 39.64 39.02 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 -0.16 0.07 -1.49 4.28 3.72 -1.26 0.15 117.46 122.77 1cyl n PHE 33 Ca 0.00 0.07 -0.36 0.00 -0.05 0.00 0.00 57.45 57.12 1cyl n PHE 33 Cb 0.00 -0.44 0.07 0.00 -0.94 0.00 0.00 39.48 38.17 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 -2.65 6.37 -2.72 4.37 0.00 -1.26 -4.50 120.51 120.13 1cyl n ALA 34 Ca 0.32 -3.61 -0.07 0.00 0.00 0.00 0.00 53.44 50.07 1cyl n ALA 34 Cb 1.42 -1.84 0.07 0.00 0.00 0.00 0.00 19.45 19.11 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 -0.77 -1.82 -4.37 0.00 0.00 0.39 -4.95 120.51 108.99 1cyl n ALA 35 Ca 0.60 -1.11 -0.40 0.00 0.00 0.00 0.00 53.44 52.52 1cyl n ALA 35 Cb 0.54 -1.82 -0.08 0.00 0.00 0.00 0.00 19.45 18.09 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 1.15 -1.58 -2.38 0.00 7.64 -1.26 -4.78 113.62 112.41 1cyl n SER 36 Ca 0.05 -1.18 -0.25 0.00 1.01 0.00 0.00 58.87 58.50 1cyl n SER 36 Cb 0.68 -1.51 0.01 0.00 -1.01 0.00 0.00 64.21 62.38 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 -3.89 3.33 0.00 1.43 3.00 -1.25 -4.88 118.16 115.90 1cyl n LYS 37 Ca 0.09 -4.34 0.00 0.00 -0.00 0.00 0.00 58.31 54.06 1cyl n LYS 37 Cb 0.44 -2.19 0.00 0.00 0.00 0.00 0.00 35.03 33.27 1cyl n LYS 37 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1cyl n ASN 38 N -0.52 0.00 -0.02 3.14 5.15 -1.26 -4.26 115.26 117.48 1cyl n ASN 38 Ca 0.38 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.36 1cyl n ASN 38 Cb 0.75 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 40.00 1cyl n ASN 38 CO 0.00 0.00 0.00 1.07 1.40 0.00 0.00 177.26 179.73 1cyl n THR 39 N -1.18 0.00 -1.43 -0.44 5.66 -1.26 -4.16 114.28 111.47 1cyl n THR 39 Ca 0.00 0.00 -0.44 0.00 -3.05 0.00 0.00 64.05 60.56 1cyl n THR 39 Cb 0.00 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 68.77 1cyl n THR 39 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1cyl n THR 40 N -0.05 1.69 -0.37 1.09 -2.24 -1.26 -4.80 114.28 108.34 1cyl n THR 40 Ca 0.00 -0.50 0.01 0.00 -2.27 0.00 0.00 64.05 61.29 1cyl n THR 40 Cb 0.00 -0.34 0.15 0.00 -2.10 0.00 0.00 70.33 68.03 1cyl n THR 40 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1cyl h GLU 41 N 1.00 1.20 -0.55 -0.78 4.39 -1.99 -0.20 114.58 117.63 1cyl h GLU 41 Ca -0.35 -0.07 0.16 0.00 0.34 0.00 0.00 59.36 59.43 1cyl h GLU 41 Cb 1.41 -0.27 -0.02 0.00 -0.10 0.00 0.00 28.75 29.77 1cyl h GLU 41 CO 0.54 0.79 0.40 1.57 -1.16 0.00 0.00 179.01 181.15 1cyl h LYS 42 N 1.23 0.02 -0.21 2.33 2.10 -1.90 -1.12 116.57 119.03 1cyl h LYS 42 Ca 0.40 -0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 59.02 1cyl h LYS 42 Cb 0.04 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 31.36 1cyl h LYS 42 CO -0.14 0.02 0.02 1.49 -2.00 0.00 0.00 179.45 178.84 1cyl h GLU 43 N 0.03 0.36 0.00 0.07 4.57 -1.30 -1.84 114.58 116.47 1cyl h GLU 43 Ca 0.26 -0.11 -0.00 0.00 -1.18 0.00 0.00 59.36 58.34 1cyl h GLU 43 Cb 1.02 -0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 29.57 1cyl h GLU 43 CO -0.01 0.53 -0.01 0.00 -1.18 0.00 0.00 179.01 178.35 1cyl h THR 44 N 0.14 0.87 -0.02 0.32 1.03 -1.22 0.13 112.91 114.16 1cyl h THR 44 Ca 0.06 -0.02 -0.12 0.00 -0.01 0.00 0.00 66.41 66.33 1cyl h THR 44 Cb 0.36 1.01 -0.02 0.00 -1.07 0.00 0.00 68.15 68.43 1cyl h THR 44 CO 0.01 0.01 -0.53 -0.26 -0.01 0.00 0.00 175.52 174.73 1cyl h PHE 45 N 0.00 0.07 0.19 0.00 -1.00 -0.98 0.35 116.94 115.57 1cyl h PHE 45 Ca -0.00 -0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.75 1cyl h PHE 45 Cb 0.01 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 39.56 1cyl h PHE 45 CO 0.00 0.58 -0.09 0.00 -1.61 0.00 0.00 178.31 177.18 1cyl h ARG 47 N -0.51 -0.08 -1.06 0.00 9.65 -1.51 -3.16 114.38 117.71 1cyl h ARG 47 Ca -0.03 0.01 0.30 0.00 -1.10 0.00 0.00 59.98 59.16 1cyl h ARG 47 Cb 0.39 0.02 -0.05 0.00 -1.39 0.00 0.00 29.97 28.93 1cyl h ARG 47 CO 0.04 0.45 0.75 0.00 2.80 0.00 0.00 179.97 184.01 1cyl h ALA 48 N 0.19 2.84 -0.18 2.80 0.00 -0.33 0.25 119.26 124.82 1cyl h ALA 48 Ca -0.01 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 1cyl h ALA 48 Cb 0.56 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1cyl h ALA 48 CO 0.01 -1.17 -0.33 0.00 0.00 0.00 0.00 179.25 177.76 1cyl h ALA 49 N 1.50 0.29 -0.32 0.00 0.00 -0.95 -2.57 119.26 117.21 1cyl h ALA 49 Ca 0.53 -0.42 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 1cyl h ALA 49 Cb 1.92 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.65 1cyl h ALA 49 CO -0.07 0.34 -0.06 1.15 0.00 0.00 0.00 179.25 180.61 1cyl h THR 50 N 0.21 1.21 0.02 0.00 2.02 -0.54 -1.78 112.91 114.05 1cyl h THR 50 Ca 0.01 -0.89 -0.00 0.00 0.77 0.00 0.00 66.41 66.30 1cyl h THR 50 Cb 0.93 1.04 0.00 0.00 -1.74 0.00 0.00 68.15 68.38 1cyl h THR 50 CO 0.08 0.30 -0.01 1.62 0.37 0.00 0.00 175.52 177.87 1cyl h VAL 51 N 0.48 1.28 -0.84 3.16 3.04 -1.18 -1.41 116.25 120.77 1cyl h VAL 51 Ca 0.10 -0.92 0.04 0.00 -1.01 0.00 0.00 66.70 64.91 1cyl h VAL 51 Cb 0.41 1.89 -0.05 0.00 -2.01 0.00 0.00 31.29 31.52 1cyl h VAL 51 CO 0.02 0.23 0.53 -0.07 -1.01 0.00 0.00 177.57 177.28 1cyl h LEU 52 N -0.42 0.87 -0.60 3.16 3.38 -1.37 0.02 115.31 120.35 1cyl h LEU 52 Ca -0.00 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.09 1cyl h LEU 52 Cb 0.41 -0.18 -0.10 0.00 0.09 0.00 0.00 40.66 40.87 1cyl h LEU 52 CO 0.00 0.58 0.02 -0.09 0.09 0.00 0.00 178.44 179.05 1cyl h ARG 53 N 1.01 0.14 0.00 1.13 1.12 -1.08 0.21 114.38 116.91 1cyl h ARG 53 Ca 0.35 -0.01 -0.08 0.00 -1.11 0.00 0.00 59.98 59.13 1cyl h ARG 53 Cb 0.07 -0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 29.99 1cyl h ARG 53 CO -0.14 0.09 -0.40 1.96 -3.11 0.00 0.00 179.97 178.37 1cyl h GLN 54 N 0.14 0.00 0.30 0.20 4.20 -0.01 -0.93 115.11 119.01 1cyl h GLN 54 Ca 0.31 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 59.01 1cyl h GLN 54 Cb 0.49 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.28 1cyl h GLN 54 CO -0.49 0.40 -0.15 0.35 -0.67 0.00 0.00 178.83 178.27 1cyl h PHE 55 N 0.00 -0.38 0.00 2.96 3.57 0.12 -1.34 116.94 121.87 1cyl h PHE 55 Ca -0.00 -0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.38 1cyl h PHE 55 Cb 0.79 0.12 0.01 0.00 2.79 0.00 0.00 35.95 39.67 1cyl h PHE 55 CO 0.00 -0.04 -0.44 0.10 -2.23 0.00 0.00 178.31 175.70 1cyl h TYR 56 N -0.94 0.44 -0.19 0.41 -0.00 -1.37 -3.04 116.97 112.27 1cyl h TYR 56 Ca -0.04 -0.24 -0.13 0.00 0.00 0.00 0.00 58.73 58.32 1cyl h TYR 56 Cb 0.50 -0.05 0.00 0.00 0.00 0.00 0.00 36.73 37.19 1cyl h TYR 56 CO 0.04 1.05 -0.40 1.03 -0.00 0.00 0.00 178.16 179.88 1cyl h SER 57 N -0.31 0.68 0.06 0.10 0.87 -1.31 -0.57 113.55 113.07 1cyl h SER 57 Ca -0.06 -0.56 -0.00 0.00 -1.23 0.00 0.00 61.79 59.94 1cyl h SER 57 Cb 1.18 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.94 1cyl h SER 57 CO 0.09 1.11 -0.03 -0.74 -0.53 0.00 0.00 176.83 176.73 1cyl h HIS 58 N 0.28 -0.07 0.07 2.24 2.76 -1.31 -3.33 115.15 115.77 1cyl h HIS 58 Ca 0.00 -0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1cyl h HIS 58 Cb 1.01 0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.99 1cyl h HIS 58 CO 0.09 0.40 -0.03 0.45 -1.30 0.00 0.00 177.93 177.54 1cyl h HIS 59 N -0.59 -0.08 -3.50 5.26 3.86 -1.54 -3.45 115.15 115.10 1cyl h HIS 59 Ca -0.01 -0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.11 1cyl h HIS 59 Cb 0.51 0.03 -0.06 0.00 1.06 0.00 0.00 27.41 28.95 1cyl h HIS 59 CO 0.09 0.44 -0.14 0.39 0.86 0.00 0.00 177.93 179.58 1cyl n GLU 60 N -4.86 -1.57 0.00 2.45 1.02 -0.22 -3.24 120.64 114.22 1cyl n GLU 60 Ca -0.08 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 1cyl n GLU 60 Cb 0.28 -2.08 0.00 0.00 -0.02 0.00 0.00 31.44 29.63 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 -1.46 0.00 -4.01 3.49 2.85 -1.26 -5.04 118.16 112.73 1cyl n LYS 61 Ca 0.02 0.00 -0.32 0.00 -1.05 0.00 0.00 58.31 56.96 1cyl n LYS 61 Cb 0.22 0.00 0.01 0.00 -0.65 0.00 0.00 35.03 34.61 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 -4.39 -3.56 -5.58 2.03 -1.20 -1.04 116.55 102.81 1cyl n ASP 62 Ca 0.00 -0.85 -0.19 0.00 0.52 0.00 0.00 54.79 54.27 1cyl n ASP 62 Cb 0.00 -3.54 0.06 0.00 -0.72 0.00 0.00 41.12 36.92 1cyl n ASP 62 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 1cyl n THR 63 N -4.60 -5.50 -2.25 5.18 -1.04 -1.26 -4.82 114.28 99.99 1cyl n THR 63 Ca 0.06 -0.58 -0.39 0.00 -2.04 0.00 0.00 64.05 61.10 1cyl n THR 63 Cb 0.51 -4.50 -0.02 0.00 -1.82 0.00 0.00 70.33 64.50 1cyl n THR 63 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 1cyl n ARG 64 N -4.13 2.59 -3.13 -2.82 0.00 -0.21 -3.95 116.66 105.01 1cyl n ARG 64 Ca -0.27 -2.88 -0.14 0.00 -0.00 0.00 0.00 57.85 54.55 1cyl n ARG 64 Cb 0.67 -3.51 0.05 0.00 0.00 0.00 0.00 32.46 29.67 1cyl n ARG 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1cyl s LEU 66 N -4.95 4.09 -0.06 0.00 1.43 -1.25 -4.84 118.68 113.09 1cyl s LEU 66 Ca 0.29 0.41 -0.03 0.00 -1.03 0.00 0.00 54.13 53.77 1cyl s LEU 66 Cb -0.13 -2.49 -0.01 0.00 0.03 0.00 0.00 46.19 43.59 1cyl s LEU 66 CO 0.46 -0.15 -0.06 1.23 0.23 0.00 0.00 176.35 178.06 1cyl h GLY 67 N 8.23 0.00 0.00 -3.19 0.00 -1.94 -3.50 103.07 102.67 1cyl h GLY 67 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.00 1cyl h GLY 67 CO 0.68 0.00 0.00 0.00 0.00 0.00 0.00 176.54 177.22 1cyl n ALA 68 N -2.76 0.00 0.00 3.60 0.00 -1.26 -5.09 120.51 114.99 1cyl n ALA 68 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1cyl n ALA 68 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.54 1cyl n ALA 68 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1cyl n THR 69 N 0.00 0.00 -0.14 0.00 5.66 -1.26 -4.87 114.28 113.67 1cyl n THR 69 Ca 0.00 0.00 0.28 0.00 -3.05 0.00 0.00 64.05 61.28 1cyl n THR 69 Cb 0.00 0.00 0.69 0.00 -1.55 0.00 0.00 70.33 69.47 1cyl n THR 69 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1cyl h ALA 70 N 0.00 2.70 0.03 1.79 0.00 -2.02 0.69 119.26 122.44 1cyl h ALA 70 Ca 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1cyl h ALA 70 Cb 0.00 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1cyl h ALA 70 CO 0.00 -1.21 -0.01 1.96 0.00 0.00 0.00 179.25 179.99 1cyl h GLN 71 N 0.00 -0.03 -0.95 0.00 1.08 -2.01 -2.01 115.11 111.19 1cyl h GLN 71 Ca 0.41 0.00 0.20 0.00 -1.45 0.00 0.00 58.65 57.80 1cyl h GLN 71 Cb 1.94 0.01 -0.08 0.00 -0.05 0.00 0.00 27.48 29.29 1cyl h GLN 71 CO -0.00 0.14 0.61 0.37 -0.95 0.00 0.00 178.83 179.00 1cyl h GLN 72 N -0.20 0.55 -0.88 1.46 -0.00 0.05 0.20 115.11 116.28 1cyl h GLN 72 Ca -0.00 -0.03 -0.02 0.00 -0.00 0.00 0.00 58.65 58.59 1cyl h GLN 72 Cb 0.19 -0.12 -0.04 0.00 0.00 0.00 0.00 27.48 27.51 1cyl h GLN 72 CO 0.01 0.36 0.47 0.35 0.00 0.00 0.00 178.83 180.02 1cyl h PHE 73 N 0.56 1.22 -0.48 3.99 3.57 -0.98 -2.43 116.94 122.40 1cyl h PHE 73 Ca 0.51 -0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.92 1cyl h PHE 73 Cb 1.05 -0.39 -0.02 0.00 2.79 0.00 0.00 35.95 39.38 1cyl h PHE 73 CO -0.00 0.86 0.05 1.25 -2.23 0.00 0.00 178.31 178.23 1cyl h HIS 74 N 1.24 0.79 -0.10 0.41 2.76 -0.20 -2.30 115.15 117.74 1cyl h HIS 74 Ca 0.31 -0.09 -0.06 0.00 -2.20 0.00 0.00 60.37 58.33 1cyl h HIS 74 Cb 0.05 -0.22 -0.01 0.00 1.55 0.00 0.00 27.41 28.77 1cyl h HIS 74 CO 0.01 0.71 -0.20 0.00 -1.30 0.00 0.00 177.93 177.15 1cyl h ARG 75 N 0.72 0.17 -0.19 5.26 2.47 -1.03 -1.45 114.38 120.34 1cyl h ARG 75 Ca 0.15 -0.04 -0.11 0.00 -1.26 0.00 0.00 59.98 58.71 1cyl h ARG 75 Cb 0.36 -0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 28.66 1cyl h ARG 75 CO 0.01 0.37 -0.32 1.25 0.56 0.00 0.00 179.97 181.84 1cyl h HIS 76 N 0.16 0.68 -0.21 3.04 2.76 -1.11 -3.10 115.15 117.37 1cyl h HIS 76 Ca 0.03 -0.24 -0.15 0.00 -2.20 0.00 0.00 60.37 57.81 1cyl h HIS 76 Cb 0.45 -0.13 -0.01 0.00 1.55 0.00 0.00 27.41 29.27 1cyl h HIS 76 CO 0.00 0.96 -0.49 0.87 -1.30 0.00 0.00 177.93 177.98 1cyl h LYS 77 N 0.21 0.56 0.05 5.26 1.57 -1.26 -2.81 116.57 120.15 1cyl h LYS 77 Ca 0.01 -0.32 -0.00 0.00 -1.87 0.00 0.00 60.65 58.47 1cyl h LYS 77 Cb 0.91 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.24 1cyl h LYS 77 CO 0.07 0.92 -0.02 -0.56 -0.57 0.00 0.00 179.45 179.29 1cyl h GLN 78 N 0.44 -0.07 -0.01 3.15 3.07 -1.31 0.35 115.11 120.74 1cyl h GLN 78 Ca 0.02 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.76 1cyl h GLN 78 Cb 1.01 0.01 -0.00 0.00 0.08 0.00 0.00 27.48 28.59 1cyl h GLN 78 CO 0.09 0.16 -0.00 -0.07 0.09 0.00 0.00 178.83 179.11 1cyl h LEU 79 N -0.29 0.02 -1.68 0.06 3.38 -1.62 -1.14 115.31 114.04 1cyl h LEU 79 Ca -0.01 -0.33 -0.03 0.00 0.09 0.00 0.00 57.88 57.60 1cyl h LEU 79 Cb 0.26 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 1cyl h LEU 79 CO 0.01 0.34 -0.17 0.40 0.09 0.00 0.00 178.44 179.12 1cyl h ILE 80 N -0.31 1.09 0.05 1.22 5.03 -1.55 0.75 117.51 123.80 1cyl h ILE 80 Ca 0.00 -0.58 -0.00 0.00 -0.12 0.00 0.00 64.86 64.16 1cyl h ILE 80 Cb 0.33 1.31 0.00 0.00 -3.03 0.00 0.00 36.82 35.44 1cyl h ILE 80 CO 0.00 0.16 -0.03 -0.09 -0.68 0.00 0.00 178.15 177.52 1cyl h ARG 81 N 0.00 -0.07 0.00 2.37 9.65 -0.64 0.16 114.38 125.85 1cyl h ARG 81 Ca -0.00 0.00 -0.06 0.00 -1.10 0.00 0.00 59.98 58.82 1cyl h ARG 81 Cb 0.30 0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.89 1cyl h ARG 81 CO 0.02 0.28 -0.30 0.74 2.80 0.00 0.00 179.97 183.51 1cyl h PHE 82 N -0.43 0.00 -0.46 2.20 0.04 -0.80 -1.61 116.94 115.89 1cyl h PHE 82 Ca -0.01 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.70 1cyl h PHE 82 Cb 0.38 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.51 1cyl h PHE 82 CO 0.04 0.30 0.01 -0.07 -0.60 0.00 0.00 178.31 177.99 1cyl h LEU 83 N 0.00 0.71 -0.11 1.54 3.38 0.10 -1.35 115.31 119.58 1cyl h LEU 83 Ca -0.00 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 57.73 1cyl h LEU 83 Cb 0.59 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1cyl h LEU 83 CO 0.04 0.77 -0.21 0.50 0.09 0.00 0.00 178.44 179.63 1cyl h LYS 84 N 0.70 0.34 -0.74 1.13 3.11 -0.08 -1.32 116.57 119.71 1cyl h LYS 84 Ca 0.14 -0.22 0.07 0.00 -2.81 0.00 0.00 60.65 57.83 1cyl h LYS 84 Cb 0.42 0.03 -0.05 0.00 -1.00 0.00 0.00 32.23 31.63 1cyl h LYS 84 CO 0.02 0.81 0.49 0.00 -2.81 0.00 0.00 179.45 177.96 1cyl h ARG 85 N -0.09 0.72 -0.22 1.90 3.08 -1.08 -0.51 114.38 118.18 1cyl h ARG 85 Ca 0.00 -0.04 -0.15 0.00 0.07 0.00 0.00 59.98 59.86 1cyl h ARG 85 Cb 0.80 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.68 1cyl h ARG 85 CO 0.05 0.48 -0.49 1.25 -1.07 0.00 0.00 179.97 180.19 1cyl h LEU 86 N 0.74 0.65 0.10 3.04 5.85 -1.09 -2.17 115.31 122.45 1cyl h LEU 86 Ca 0.33 -0.33 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1cyl h LEU 86 Cb 0.31 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.16 1cyl h LEU 86 CO -0.11 1.03 -0.05 -0.78 -0.34 0.00 0.00 178.44 178.19 1cyl h ASP 87 N 0.48 -0.12 -0.65 1.25 3.58 0.05 -1.25 116.42 119.76 1cyl h ASP 87 Ca 0.02 -0.40 0.02 0.00 0.42 0.00 0.00 57.03 57.09 1cyl h ASP 87 Cb 1.02 0.03 -0.04 0.00 1.72 0.00 0.00 39.33 42.07 1cyl h ASP 87 CO 0.10 0.37 0.42 0.03 -2.88 0.00 0.00 179.24 177.28 1cyl h ARG 88 N -0.65 0.81 -0.23 0.28 2.47 -1.31 -2.76 114.38 112.98 1cyl h ARG 88 Ca -0.01 -0.05 -0.17 0.00 -1.26 0.00 0.00 59.98 58.49 1cyl h ARG 88 Cb 0.51 -0.18 -0.00 0.00 -1.65 0.00 0.00 29.97 28.65 1cyl h ARG 88 CO 0.02 0.53 -0.53 -0.97 0.56 0.00 0.00 179.97 179.59 1cyl h ASN 89 N 0.83 0.74 -0.83 7.04 -0.73 -1.43 -3.05 115.58 118.15 1cyl h ASN 89 Ca 0.25 -0.39 0.24 0.00 1.87 0.00 0.00 56.30 58.27 1cyl h ASN 89 Cb -0.03 -0.21 -0.03 0.00 0.27 0.00 0.00 38.32 38.31 1cyl h ASN 89 CO -0.08 1.13 0.63 0.25 -0.37 0.00 0.00 177.43 178.99 1cyl h LEU 90 N 0.52 0.00 -0.84 0.34 6.46 -0.91 0.19 115.31 121.07 1cyl h LEU 90 Ca 0.02 0.00 -0.08 0.00 -0.12 0.00 0.00 57.88 57.70 1cyl h LEU 90 Cb 1.09 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 41.00 1cyl h LEU 90 CO 0.11 0.00 0.02 -0.50 -0.62 0.00 0.00 178.44 177.44 1cyl h TRP 91 N 0.00 0.94 0.02 1.25 4.06 -1.55 -0.79 115.95 119.88 1cyl h TRP 91 Ca 0.39 -0.14 -0.00 0.00 2.06 0.00 0.00 58.89 61.21 1cyl h TRP 91 Cb 1.66 -0.26 0.00 0.00 -1.00 0.00 0.00 29.16 29.56 1cyl h TRP 91 CO 0.00 0.85 -0.01 0.78 -3.56 0.00 0.00 178.44 176.50 1cyl h GLY 92 N 0.99 -0.02 1.04 1.49 0.00 -0.79 -1.97 103.07 103.81 1cyl h GLY 92 Ca 0.16 0.01 -0.04 0.00 0.00 0.00 0.00 47.33 47.45 1cyl h GLY 92 CO 0.02 -0.01 0.33 -2.00 0.00 0.00 0.00 176.54 174.89 1cyl h LEU 93 N -0.59 1.09 0.36 3.11 6.46 -1.47 -3.13 115.31 121.14 1cyl h LEU 93 Ca -0.00 -0.16 -0.02 0.00 -0.12 0.00 0.00 57.88 57.58 1cyl h LEU 93 Cb 0.56 -0.28 0.00 0.00 -0.73 0.00 0.00 40.66 40.22 1cyl h LEU 93 CO 0.00 0.95 -0.17 0.00 -0.62 0.00 0.00 178.44 178.61 1cyl h ALA 94 N 1.18 -0.48 0.00 1.25 0.00 -1.20 -3.47 119.26 116.53 1cyl h ALA 94 Ca 0.27 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1cyl h ALA 94 Cb 0.19 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1cyl h ALA 94 CO -0.02 -0.58 0.00 0.41 0.00 0.00 0.00 179.25 179.05 1cyl n GLY 95 N -0.27 0.49 3.69 0.00 0.00 -0.74 -4.90 105.19 103.46 1cyl n GLY 95 Ca -0.10 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.69 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 3.21 -0.30 0.99 2.96 -1.26 -5.05 118.68 119.24 1cyl s LEU 96 Ca 0.00 -0.76 0.19 0.00 -0.22 0.00 0.00 54.13 53.34 1cyl s LEU 96 Cb 0.00 -1.69 0.47 0.00 0.50 0.00 0.00 46.19 45.47 1cyl s LEU 96 CO 0.00 -0.20 1.30 -3.20 -1.32 0.00 0.00 176.35 172.94 1cyl n ASN 97 N -1.05 0.23 -3.50 3.68 2.85 -1.26 -4.92 115.26 111.30 1cyl n ASN 97 Ca -0.04 -2.11 -0.27 0.00 -0.11 0.00 0.00 54.58 52.05 1cyl n ASN 97 Cb 0.61 0.03 -0.10 0.00 1.24 0.00 0.00 39.78 41.56 1cyl n ASN 97 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1cyl n SER 98 N -1.02 0.75 -3.31 1.20 2.88 -1.26 -5.00 113.62 107.87 1cyl n SER 98 Ca -0.04 -2.69 -0.27 0.00 -1.33 0.00 0.00 58.87 54.54 1cyl n SER 98 Cb 0.84 -0.62 -0.07 0.00 -0.75 0.00 0.00 64.21 63.60 1cyl n SER 98 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1cyl s PRO 100 N -2.62 2.35 0.07 0.00 0.04 -1.26 -4.82 135.00 128.75 1cyl s PRO 100 Ca 0.42 0.79 0.00 0.00 0.04 0.00 0.00 61.00 62.24 1cyl s PRO 100 Cb 0.18 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.78 1cyl s PRO 100 CO -0.04 -1.47 0.00 0.28 0.04 0.00 0.00 177.00 175.81 1cyl n VAL 101 N -3.35 -0.30 -2.90 -0.36 0.31 -1.26 -4.86 118.33 105.60 1cyl n VAL 101 Ca 0.07 0.16 -0.22 0.00 -0.01 0.00 0.00 64.34 64.34 1cyl n VAL 101 Cb 0.55 -0.26 -0.02 0.00 -0.91 0.00 0.00 33.84 33.20 1cyl n VAL 101 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 1cyl n LYS 102 N -1.70 2.34 -1.86 5.55 2.85 -1.26 -5.03 118.16 119.05 1cyl n LYS 102 Ca -0.00 -4.16 0.00 0.00 -1.05 0.00 0.00 58.31 53.09 1cyl n LYS 102 Cb 0.06 -1.96 0.00 0.00 -0.65 0.00 0.00 35.03 32.48 1cyl n LYS 102 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 1cyl n GLU 103 N -0.11 -0.71 0.32 -1.58 4.07 -1.26 -4.65 120.64 116.72 1cyl n GLU 103 Ca 0.28 0.71 0.17 0.00 -0.06 0.00 0.00 57.16 58.26 1cyl n GLU 103 Cb 0.57 -0.50 0.93 0.00 -0.06 0.00 0.00 31.44 32.39 1cyl n GLU 103 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1cyl h ALA 104 N 3.70 1.19 -3.60 4.31 0.00 -1.96 -3.42 119.26 119.48 1cyl h ALA 104 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 1cyl h ALA 104 Cb 0.06 0.00 0.05 0.00 0.00 0.00 0.00 17.79 17.90 1cyl h ALA 104 CO 0.00 -0.19 0.11 0.09 0.00 0.00 0.00 179.25 179.26 1cyl n ASN 105 N -2.88 0.16 -3.84 0.00 4.13 -1.26 -5.07 115.26 106.51 1cyl n ASN 105 Ca -0.02 -1.23 -0.11 0.00 1.68 0.00 0.00 54.58 54.90 1cyl n ASN 105 Cb 0.24 -0.29 -0.09 0.00 -1.54 0.00 0.00 39.78 38.10 1cyl n ASN 105 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 1cyl s GLN 106 N -3.73 0.62 0.10 3.52 -0.21 -1.26 -4.12 119.66 114.58 1cyl s GLN 106 Ca 0.24 -0.47 0.00 0.00 0.02 0.00 0.00 55.36 55.15 1cyl s GLN 106 Cb -0.01 0.26 -0.00 0.00 1.00 0.00 0.00 33.01 34.26 1cyl s GLN 106 CO 0.16 -0.17 0.12 -1.13 -2.12 0.00 0.00 175.29 172.16 1cyl n SER 107 N 1.04 -0.34 -4.60 5.90 3.41 -1.04 -4.72 113.62 113.27 1cyl n SER 107 Ca -0.21 -1.58 -0.34 0.00 -0.26 0.00 0.00 58.87 56.48 1cyl n SER 107 Cb 0.57 0.66 -0.11 0.00 -0.26 0.00 0.00 64.21 65.08 1cyl n SER 107 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1cyl s THR 108 N -2.49 4.06 0.52 6.66 -4.23 -1.26 -1.78 115.64 117.12 1cyl s THR 108 Ca 0.09 -0.33 0.25 0.00 -1.18 0.00 0.00 61.69 60.53 1cyl s THR 108 Cb -0.00 -2.72 0.41 0.00 1.34 0.00 0.00 72.50 71.53 1cyl s THR 108 CO 0.07 0.57 1.96 0.25 -0.54 0.00 0.00 174.62 176.92 1cyl h LEU 109 N 5.69 0.06 -0.82 4.79 6.46 -1.16 0.11 115.31 130.44 1cyl h LEU 109 Ca -0.44 0.00 0.18 0.00 -0.12 0.00 0.00 57.88 57.51 1cyl h LEU 109 Cb 1.19 -0.01 -0.11 0.00 -0.73 0.00 0.00 40.66 40.99 1cyl h LEU 109 CO 0.57 0.03 0.32 -0.08 -0.62 0.00 0.00 178.44 178.66 1cyl h GLU 110 N 0.07 0.38 0.00 1.25 4.81 -1.86 0.75 114.58 119.98 1cyl h GLU 110 Ca 0.31 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.41 1cyl h GLU 110 Cb 1.14 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.42 1cyl h GLU 110 CO -0.02 0.25 -0.52 -0.97 -0.73 0.00 0.00 179.01 177.02 1cyl h ASN 111 N 0.39 0.00 -0.43 1.04 -0.73 -1.16 -2.14 115.58 112.55 1cyl h ASN 111 Ca 0.48 0.00 -0.09 0.00 1.87 0.00 0.00 56.30 58.56 1cyl h ASN 111 Cb 0.84 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.42 1cyl h ASN 111 CO -0.49 0.52 -0.09 0.15 -0.37 0.00 0.00 177.43 177.15 1cyl h PHE 112 N 0.00 0.92 -0.04 0.67 3.57 0.62 0.28 116.94 122.96 1cyl h PHE 112 Ca -0.01 -0.19 -0.13 0.00 3.53 0.00 0.00 57.97 61.17 1cyl h PHE 112 Cb 0.94 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.44 1cyl h PHE 112 CO 0.00 0.93 -0.57 -0.07 -2.23 0.00 0.00 178.31 176.37 1cyl h LEU 113 N 0.65 0.14 -0.10 0.59 3.38 -1.01 0.22 115.31 119.18 1cyl h LEU 113 Ca 0.11 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 1cyl h LEU 113 Cb 0.62 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 1cyl h LEU 113 CO 0.04 0.68 -0.16 -0.08 0.09 0.00 0.00 178.44 179.01 1cyl h GLU 114 N 0.10 0.28 0.09 1.13 4.22 -1.05 -1.62 114.58 117.73 1cyl h GLU 114 Ca -0.00 -0.17 -0.00 0.00 0.08 0.00 0.00 59.36 59.26 1cyl h GLU 114 Cb 1.03 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.30 1cyl h GLU 114 CO 0.08 0.75 -0.04 -0.09 -2.18 0.00 0.00 179.01 177.52 1cyl h ARG 115 N -0.16 -0.12 -0.46 1.92 9.65 -0.41 -2.43 114.38 122.38 1cyl h ARG 115 Ca 0.01 0.01 0.04 0.00 -1.10 0.00 0.00 59.98 58.93 1cyl h ARG 115 Cb 0.72 0.03 -0.04 0.00 -1.39 0.00 0.00 29.97 29.29 1cyl h ARG 115 CO 0.04 0.35 0.24 1.25 2.80 0.00 0.00 179.97 184.65 1cyl h LEU 116 N -0.65 0.35 -1.53 3.80 5.85 -0.67 -1.38 115.31 121.08 1cyl h LEU 116 Ca -0.01 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.68 1cyl h LEU 116 Cb 0.52 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 1cyl h LEU 116 CO 0.02 0.25 -0.24 0.50 -0.34 0.00 0.00 178.44 178.63 1cyl h LYS 117 N 0.47 0.00 -0.50 1.25 3.64 -1.34 -2.84 116.57 117.26 1cyl h LYS 117 Ca 0.20 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.48 1cyl h LYS 117 Cb 0.09 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 1cyl h LYS 117 CO -0.13 0.24 -0.05 1.15 -2.27 0.00 0.00 179.45 178.38 1cyl h THR 118 N 0.00 1.27 0.03 1.00 2.02 -0.74 -3.09 112.91 113.40 1cyl h THR 118 Ca -0.00 -1.17 -0.00 0.00 0.77 0.00 0.00 66.41 66.01 1cyl h THR 118 Cb 0.43 1.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.85 1cyl h THR 118 CO 0.03 0.41 -0.01 0.40 0.37 0.00 0.00 175.52 176.71 1cyl h ILE 119 N 0.78 1.22 -0.99 3.11 5.03 -1.22 -3.01 117.51 122.43 1cyl h ILE 119 Ca 0.14 -0.80 0.24 0.00 -0.12 0.00 0.00 64.86 64.32 1cyl h ILE 119 Cb 0.59 1.75 -0.08 0.00 -3.03 0.00 0.00 36.82 36.06 1cyl h ILE 119 CO 0.04 0.20 0.65 0.24 -0.68 0.00 0.00 178.15 178.60 1cyl h MET 120 N -0.39 0.39 -0.73 2.37 2.86 -1.57 0.44 114.93 118.31 1cyl h MET 120 Ca -0.00 -0.02 -0.06 0.00 -2.06 0.00 0.00 59.70 57.55 1cyl h MET 120 Cb 0.36 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.91 1cyl h MET 120 CO 0.01 0.26 0.20 -0.09 1.06 0.00 0.00 176.91 178.35 1cyl h ARG 121 N 0.41 1.14 -0.31 1.72 9.65 -1.44 -0.23 114.38 125.32 1cyl h ARG 121 Ca 0.54 -0.26 -0.16 0.00 -1.10 0.00 0.00 59.98 59.00 1cyl h ARG 121 Cb 1.37 -0.16 -0.00 0.00 -1.39 0.00 0.00 29.97 29.79 1cyl h ARG 121 CO -0.24 0.99 -0.42 0.93 2.80 0.00 0.00 179.97 184.03 1cyl h GLU 122 N 1.09 0.83 -0.31 0.20 5.08 -0.12 -0.30 114.58 121.04 1cyl h GLU 122 Ca 0.23 -0.48 -0.17 0.00 -1.00 0.00 0.00 59.36 57.94 1cyl h GLU 122 Cb 0.34 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 1cyl h GLU 122 CO -0.00 1.12 -0.48 -0.22 -1.00 0.00 0.00 179.01 178.43 1cyl h LYS 123 N 0.60 0.84 -0.03 2.33 3.64 -1.02 -2.95 116.57 119.98 1cyl h LYS 123 Ca 0.03 -0.49 -0.11 0.00 -1.27 0.00 0.00 60.65 58.81 1cyl h LYS 123 Cb 1.02 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.86 1cyl h LYS 123 CO 0.10 1.13 -0.51 -0.92 -2.27 0.00 0.00 179.45 176.97 1cyl h TYR 124 N 0.66 0.09 -0.26 1.91 3.20 -1.03 -2.53 116.97 119.01 1cyl h TYR 124 Ca 0.03 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1cyl h TYR 124 Cb 1.07 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.32 1cyl h TYR 124 CO 0.06 0.57 0.00 0.43 -1.64 0.00 0.00 178.16 177.58 1cyl n SER 125 N -3.93 2.78 -2.44 -2.11 7.64 -0.13 -4.13 113.62 111.30 1cyl n SER 125 Ca -0.02 -2.32 -0.28 0.00 1.01 0.00 0.00 58.87 57.26 1cyl n SER 125 Cb 0.53 -0.51 0.01 0.00 -1.01 0.00 0.00 64.21 63.23 1cyl n SER 125 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1cyl n LYS 126 N 0.29 3.35 -0.03 1.43 4.81 -0.95 -4.77 118.16 122.29 1cyl n LYS 126 Ca 0.12 -4.27 -0.02 0.00 -0.87 0.00 0.00 58.31 53.26 1cyl n LYS 126 Cb 0.58 -2.26 0.24 0.00 0.02 0.00 0.00 35.03 33.61 1cyl n LYS 126 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1cyl n SER 128 N -4.23 -2.53 0.00 0.00 7.64 -1.26 -4.34 113.62 108.90 1cyl n SER 128 Ca 0.02 0.32 0.05 0.00 1.01 0.00 0.00 58.87 60.27 1cyl n SER 128 Cb 0.29 -1.39 0.29 0.00 -1.01 0.00 0.00 64.21 62.39 1cyl n SER 128 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79