#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 0.00 -4.13 -1.40 3.00 -1.23 -4.75 118.16 109.65 1cyl n LYS 2 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 58.31 58.09 1cyl n LYS 2 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 34.98 1cyl n LYS 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1cyl s ASP 4 N -3.81 2.09 0.32 0.00 1.01 -1.26 -5.03 116.67 109.98 1cyl s ASP 4 Ca 0.34 -1.34 0.12 0.00 0.71 0.00 0.00 52.55 52.39 1cyl s ASP 4 Cb -0.07 -0.03 0.52 0.00 1.01 0.00 0.00 42.92 44.35 1cyl s ASP 4 CO 0.23 -0.59 1.69 0.40 0.21 0.00 0.00 175.17 177.12 1cyl h ILE 5 N 2.24 1.31 -0.44 0.77 1.08 -2.00 -3.23 117.51 117.23 1cyl h ILE 5 Ca -0.40 -1.78 0.09 0.00 -0.39 0.00 0.00 64.86 62.38 1cyl h ILE 5 Cb 1.24 1.98 -0.09 0.00 -3.07 0.00 0.00 36.82 36.88 1cyl h ILE 5 CO 0.67 0.50 -0.15 0.74 -0.69 0.00 0.00 178.15 179.22 1cyl h THR 6 N 0.00 0.48 0.08 -0.27 2.02 -1.99 -0.45 112.91 112.78 1cyl h THR 6 Ca -0.01 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.17 1cyl h THR 6 Cb 0.94 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 67.82 1cyl h THR 6 CO 0.07 0.00 -0.04 0.17 0.37 0.00 0.00 175.52 176.09 1cyl h LEU 7 N -0.05 -0.09 -1.98 2.58 -0.00 -1.98 -2.41 115.31 111.38 1cyl h LEU 7 Ca 0.22 -0.31 0.31 0.00 -0.00 0.00 0.00 57.88 58.09 1cyl h LEU 7 Cb 0.38 0.02 -0.04 0.00 -0.00 0.00 0.00 40.66 41.03 1cyl h LEU 7 CO -0.49 0.27 0.78 1.56 -0.00 0.00 0.00 178.44 180.57 1cyl h GLN 8 N -0.48 0.00 -0.21 0.17 4.20 -1.50 0.48 115.11 117.77 1cyl h GLN 8 Ca -0.01 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.58 1cyl h GLN 8 Cb 0.40 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.18 1cyl h GLN 8 CO 0.02 0.00 -0.33 0.93 -0.67 0.00 0.00 178.83 178.77 1cyl h GLU 9 N 0.00 0.60 -0.41 1.46 5.08 -0.62 -3.26 114.58 117.43 1cyl h GLU 9 Ca 0.50 -0.36 0.07 0.00 -1.00 0.00 0.00 59.36 58.57 1cyl h GLU 9 Cb 2.06 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 31.28 1cyl h GLU 9 CO -0.01 0.97 0.04 0.97 -1.00 0.00 0.00 179.01 179.99 1cyl h ILE 10 N 0.29 0.74 -1.01 3.13 6.09 0.41 -0.00 117.51 127.15 1cyl h ILE 10 Ca 0.02 -0.05 0.29 0.00 -1.37 0.00 0.00 64.86 63.75 1cyl h ILE 10 Cb 0.92 0.56 -0.04 0.00 0.47 0.00 0.00 36.82 38.73 1cyl h ILE 10 CO 0.08 0.03 0.75 0.40 -3.07 0.00 0.00 178.15 176.33 1cyl h ILE 11 N 0.16 0.45 -0.18 2.19 2.04 -1.57 0.32 117.51 120.93 1cyl h ILE 11 Ca 0.20 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.05 1cyl h ILE 11 Cb 0.27 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 1cyl h ILE 11 CO -0.30 0.00 0.07 0.50 0.00 0.00 0.00 178.15 178.42 1cyl h LYS 12 N 0.00 0.26 0.02 2.37 3.64 -1.10 0.60 116.57 122.36 1cyl h LYS 12 Ca 0.48 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.81 1cyl h LYS 12 Cb 1.97 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.75 1cyl h LYS 12 CO -0.01 0.33 -0.01 1.15 -2.27 0.00 0.00 179.45 178.65 1cyl h THR 13 N 0.13 1.37 -0.16 1.00 2.02 -0.47 -2.67 112.91 114.14 1cyl h THR 13 Ca 0.06 -1.22 0.05 0.00 0.77 0.00 0.00 66.41 66.06 1cyl h THR 13 Cb 0.17 2.19 -0.01 0.00 -1.74 0.00 0.00 68.15 68.76 1cyl h THR 13 CO -0.01 0.31 0.12 0.25 0.37 0.00 0.00 175.52 176.57 1cyl h LEU 14 N -0.56 0.00 0.00 2.58 5.85 -1.13 -2.29 115.31 119.76 1cyl h LEU 14 Ca -0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 1cyl h LEU 14 Cb 0.53 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.56 1cyl h LEU 14 CO 0.00 0.00 -0.00 -1.13 -0.34 0.00 0.00 178.44 176.97 1cyl h ASN 15 N 0.00 -0.00 -0.42 1.25 -0.73 -0.78 -3.16 115.58 111.74 1cyl h ASN 15 Ca 0.08 -0.53 0.09 0.00 1.87 0.00 0.00 56.30 57.80 1cyl h ASN 15 Cb 0.32 0.00 -0.08 0.00 0.27 0.00 0.00 38.32 38.83 1cyl h ASN 15 CO -0.00 0.53 -0.12 -1.28 -0.37 0.00 0.00 177.43 176.19 1cyl h SER 16 N -0.54 -0.44 -0.86 1.15 0.87 -1.06 0.10 113.55 112.77 1cyl h SER 16 Ca -0.00 0.13 0.18 0.00 -1.23 0.00 0.00 61.79 60.87 1cyl h SER 16 Cb 0.54 0.28 -0.06 0.00 -0.44 0.00 0.00 62.40 62.72 1cyl h SER 16 CO 0.00 -0.16 0.57 -0.07 -0.53 0.00 0.00 176.83 176.64 1cyl h LEU 17 N -0.02 0.43 -0.10 2.23 3.38 -1.58 -1.02 115.31 118.63 1cyl h LEU 17 Ca 0.20 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.17 1cyl h LEU 17 Cb 0.33 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 1cyl h LEU 17 CO -0.45 0.19 -0.12 0.74 0.09 0.00 0.00 178.44 178.90 1cyl h THR 18 N 0.44 1.37 -0.59 0.22 2.02 -0.79 -2.82 112.91 112.77 1cyl h THR 18 Ca 0.44 -1.30 0.17 0.00 0.77 0.00 0.00 66.41 66.49 1cyl h THR 18 Cb 1.02 2.00 -0.02 0.00 -1.74 0.00 0.00 68.15 69.41 1cyl h THR 18 CO -0.16 0.37 0.44 -0.33 0.37 0.00 0.00 175.52 176.20 1cyl h GLU 19 N -0.16 0.00 -4.71 6.66 3.07 -0.32 -3.30 114.58 115.82 1cyl h GLU 19 Ca 0.01 0.00 -0.66 0.00 -0.50 0.00 0.00 59.36 58.21 1cyl h GLU 19 Cb 0.65 0.00 -0.39 0.00 -0.84 0.00 0.00 28.75 28.16 1cyl h GLU 19 CO 0.03 0.00 -0.74 1.14 -1.40 0.00 0.00 179.01 178.04 1cyl s GLN 20 N -4.97 1.62 -0.48 2.33 -2.07 -0.75 -4.96 119.66 110.38 1cyl s GLN 20 Ca -0.05 -1.76 0.06 0.00 -1.82 0.00 0.00 55.36 51.79 1cyl s GLN 20 Cb 0.20 -3.13 0.25 0.00 -1.09 0.00 0.00 33.01 29.24 1cyl s GLN 20 CO 0.72 -0.87 0.93 0.36 -1.32 0.00 0.00 175.29 175.12 1cyl n LYS 21 N 4.30 0.81 0.00 9.60 -0.00 -1.24 -4.72 118.16 126.90 1cyl n LYS 21 Ca 0.00 -1.75 0.00 0.00 -0.00 0.00 0.00 58.31 56.56 1cyl n LYS 21 Cb 0.42 -1.39 0.00 0.00 -0.00 0.00 0.00 35.03 34.06 1cyl n LYS 21 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 1cyl n THR 22 N 1.44 0.00 -0.89 0.58 -1.04 -1.26 -4.71 114.28 108.40 1cyl n THR 22 Ca 0.08 0.33 0.08 0.00 -2.04 0.00 0.00 64.05 62.51 1cyl n THR 22 Cb 0.64 -1.25 0.34 0.00 -1.82 0.00 0.00 70.33 68.24 1cyl n THR 22 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1cyl n LEU 23 N -2.00 4.82 -1.52 -4.42 0.00 -1.26 -4.42 117.00 108.20 1cyl n LEU 23 Ca 0.00 -2.89 -0.11 0.00 0.00 0.00 0.00 56.01 53.01 1cyl n LEU 23 Cb 0.00 -0.60 0.20 0.00 0.00 0.00 0.00 43.42 43.01 1cyl n LEU 23 CO 0.00 0.67 0.89 0.00 0.00 0.00 0.00 177.39 178.95 1cyl n THR 25 N -1.11 0.00 -2.13 0.00 -2.24 -1.26 -4.63 114.28 102.91 1cyl n THR 25 Ca 0.42 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 62.15 1cyl n THR 25 Cb 1.25 -0.24 -0.01 0.00 -2.10 0.00 0.00 70.33 69.24 1cyl n THR 25 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1cyl n GLU 26 N -0.11 -2.26 0.14 -0.78 1.02 -1.26 -4.69 120.64 112.70 1cyl n GLU 26 Ca 0.00 0.27 0.12 0.00 -0.02 0.00 0.00 57.16 57.53 1cyl n GLU 26 Cb 0.00 -4.70 0.06 0.00 -0.02 0.00 0.00 31.44 26.78 1cyl n GLU 26 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1cyl h LEU 27 N 0.00 0.00 0.00 -4.62 3.38 -1.91 -3.46 115.31 108.70 1cyl h LEU 27 Ca -0.12 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1cyl h LEU 27 Cb 0.90 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.65 1cyl h LEU 27 CO 0.15 0.00 0.00 0.35 0.09 0.00 0.00 178.44 179.03 1cyl n THR 28 N -2.82 -0.90 -4.08 0.22 -2.24 -1.26 -4.83 114.28 98.37 1cyl n THR 28 Ca 0.01 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.64 1cyl n THR 28 Cb 0.54 -0.89 -0.03 0.00 -2.10 0.00 0.00 70.33 67.85 1cyl n THR 28 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 1cyl n VAL 29 N -0.14 0.00 -2.84 2.28 0.24 -0.84 -4.58 118.33 112.44 1cyl n VAL 29 Ca 0.00 -1.86 -0.43 0.00 -2.04 0.00 0.00 64.34 60.01 1cyl n VAL 29 Cb 0.00 1.13 -0.04 0.00 -1.47 0.00 0.00 33.84 33.47 1cyl n VAL 29 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1cyl s THR 30 N -2.85 4.35 -0.45 3.34 2.01 -1.26 -3.35 115.64 117.42 1cyl s THR 30 Ca 0.30 -0.53 -0.28 0.00 0.31 0.00 0.00 61.69 61.49 1cyl s THR 30 Cb -0.01 -4.72 -0.01 0.00 0.01 0.00 0.00 72.50 67.77 1cyl s THR 30 CO 0.22 -1.50 1.70 -0.62 -0.69 0.00 0.00 174.62 173.72 1cyl s ASP 31 N 3.73 5.83 -0.54 3.53 2.15 -1.26 -4.80 116.67 125.31 1cyl s ASP 31 Ca 0.25 0.83 -0.02 0.00 0.43 0.00 0.00 52.55 54.04 1cyl s ASP 31 Cb -0.14 -2.53 0.32 0.00 -0.30 0.00 0.00 42.92 40.27 1cyl s ASP 31 CO 0.07 -1.84 2.10 2.30 -0.17 0.00 0.00 175.17 177.63 1cyl n ILE 32 N 7.23 3.30 -2.13 4.11 -5.35 -1.26 -4.35 119.36 120.91 1cyl n ILE 32 Ca 0.20 -2.63 0.01 0.00 -0.27 0.00 0.00 62.75 60.06 1cyl n ILE 32 Cb 0.49 -1.27 0.10 0.00 -1.74 0.00 0.00 39.64 37.21 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 -0.26 0.45 -2.85 4.28 3.72 -1.26 -4.84 117.46 116.70 1cyl n PHE 33 Ca 0.49 -1.27 -0.15 0.00 -0.05 0.00 0.00 57.45 56.47 1cyl n PHE 33 Cb 0.58 -0.22 0.00 0.00 -0.94 0.00 0.00 39.48 38.90 1cyl n PHE 33 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1cyl n ALA 34 N -0.39 3.14 0.00 4.37 0.00 -1.26 -4.86 120.51 121.51 1cyl n ALA 34 Ca 0.15 -3.43 0.00 0.00 0.00 0.00 0.00 53.44 50.16 1cyl n ALA 34 Cb 0.91 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 19.47 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 0.01 0.00 -4.00 0.00 0.00 -1.26 -4.96 120.51 110.30 1cyl n ALA 35 Ca 0.19 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.35 1cyl n ALA 35 Cb 0.72 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.15 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 -1.02 -1.50 0.00 7.64 -1.26 -4.81 113.62 112.67 1cyl n SER 36 Ca 0.00 -1.00 0.05 0.00 1.01 0.00 0.00 58.87 58.94 1cyl n SER 36 Cb 0.00 -3.04 0.29 0.00 -1.01 0.00 0.00 64.21 60.45 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 -4.41 3.78 -0.89 1.43 3.00 -1.26 -4.26 118.16 115.56 1cyl n LYS 37 Ca -0.23 -2.29 -0.16 0.00 -0.00 0.00 0.00 58.31 55.63 1cyl n LYS 37 Cb 0.65 -2.03 0.14 0.00 0.00 0.00 0.00 35.03 33.79 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 0.49 3.61 -2.00 3.14 3.02 -1.26 -4.85 115.26 117.41 1cyl n ASN 38 Ca 0.20 -3.15 -0.00 0.00 -0.03 0.00 0.00 54.58 51.60 1cyl n ASN 38 Cb 0.92 -0.74 0.00 0.00 -0.61 0.00 0.00 39.78 39.35 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 -0.63 0.00 -1.46 3.41 5.66 -1.26 -4.95 114.28 115.04 1cyl n THR 39 Ca 0.42 -0.00 -0.48 0.00 -3.05 0.00 0.00 64.05 60.94 1cyl n THR 39 Cb 1.34 -1.66 -0.03 0.00 -1.55 0.00 0.00 70.33 68.43 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 -1.67 1.82 -0.36 1.09 -1.04 -1.26 -4.75 114.28 108.11 1cyl n THR 40 Ca 0.00 -0.45 -0.01 0.00 -2.04 0.00 0.00 64.05 61.54 1cyl n THR 40 Cb 0.00 -0.29 0.12 0.00 -1.82 0.00 0.00 70.33 68.34 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 1.49 1.23 -0.71 -2.82 5.08 -1.95 -0.68 114.58 116.22 1cyl h GLU 41 Ca -0.33 -0.07 0.14 0.00 -1.00 0.00 0.00 59.36 58.10 1cyl h GLU 41 Cb 1.41 -0.28 -0.04 0.00 0.50 0.00 0.00 28.75 30.34 1cyl h GLU 41 CO 0.59 0.81 0.48 0.87 -1.00 0.00 0.00 179.01 180.76 1cyl h LYS 42 N 1.27 0.35 -0.22 2.33 1.57 -1.88 -0.77 116.57 119.22 1cyl h LYS 42 Ca 0.37 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 59.03 1cyl h LYS 42 Cb -0.07 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.16 1cyl h LYS 42 CO -0.10 0.23 -0.25 1.49 -0.57 0.00 0.00 179.45 180.25 1cyl h GLU 43 N 0.36 0.55 0.00 3.15 4.81 -1.45 -1.91 114.58 120.10 1cyl h GLU 43 Ca 0.34 -0.31 -0.03 0.00 -0.13 0.00 0.00 59.36 59.24 1cyl h GLU 43 Cb 0.83 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.23 1cyl h GLU 43 CO -0.10 0.90 -0.13 0.00 -0.73 0.00 0.00 179.01 178.95 1cyl h THR 44 N 0.24 1.04 -0.07 0.32 1.03 -0.96 -0.76 112.91 113.74 1cyl h THR 44 Ca 0.03 -0.47 -0.14 0.00 -0.01 0.00 0.00 66.41 65.82 1cyl h THR 44 Cb 0.82 1.25 -0.01 0.00 -1.07 0.00 0.00 68.15 69.14 1cyl h THR 44 CO 0.06 0.13 -0.59 -0.26 -0.01 0.00 0.00 175.52 174.86 1cyl h PHE 45 N 0.00 0.30 0.07 0.00 0.04 -0.96 0.17 116.94 116.55 1cyl h PHE 45 Ca -0.00 -0.11 -0.00 0.00 2.80 0.00 0.00 57.97 60.65 1cyl h PHE 45 Cb 0.24 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 38.34 1cyl h PHE 45 CO 0.00 0.76 -0.03 0.00 -0.60 0.00 0.00 178.31 178.44 1cyl h ARG 47 N -0.60 0.25 -0.04 0.00 2.43 -1.45 -2.81 114.38 112.14 1cyl h ARG 47 Ca -0.01 -0.15 -0.12 0.00 -0.81 0.00 0.00 59.98 58.90 1cyl h ARG 47 Cb 0.51 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 1cyl h ARG 47 CO 0.01 0.72 -0.51 0.00 -1.51 0.00 0.00 179.97 178.68 1cyl h ALA 48 N 1.25 1.07 -0.01 2.80 0.00 -0.65 -2.40 119.26 121.31 1cyl h ALA 48 Ca 0.00 -0.47 -0.12 0.00 0.00 0.00 0.00 54.91 54.32 1cyl h ALA 48 Cb 1.00 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1cyl h ALA 48 CO 0.08 0.65 -0.56 0.00 0.00 0.00 0.00 179.25 179.42 1cyl h ALA 49 N 1.39 1.05 -0.32 0.00 0.00 -0.83 -1.61 119.26 118.94 1cyl h ALA 49 Ca 0.00 -0.51 -0.14 0.00 0.00 0.00 0.00 54.91 54.26 1cyl h ALA 49 Cb 0.94 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 1cyl h ALA 49 CO 0.07 0.70 -0.35 1.15 0.00 0.00 0.00 179.25 180.82 1cyl h THR 50 N 0.03 1.29 0.03 0.00 2.02 -1.20 -1.22 112.91 113.86 1cyl h THR 50 Ca -0.00 -1.53 -0.00 0.00 0.77 0.00 0.00 66.41 65.64 1cyl h THR 50 Cb 1.00 1.54 0.00 0.00 -1.74 0.00 0.00 68.15 68.95 1cyl h THR 50 CO 0.08 0.50 -0.01 -0.37 0.37 0.00 0.00 175.52 176.08 1cyl h VAL 51 N 0.57 1.31 -0.38 3.16 -1.51 -1.31 -1.72 116.25 116.38 1cyl h VAL 51 Ca 0.05 -1.12 0.11 0.00 -1.23 0.00 0.00 66.70 64.51 1cyl h VAL 51 Cb 0.94 2.05 -0.02 0.00 -2.13 0.00 0.00 31.29 32.14 1cyl h VAL 51 CO 0.09 0.28 0.28 0.25 -1.23 0.00 0.00 177.57 177.24 1cyl h LEU 52 N -0.53 0.00 0.05 4.19 6.46 -1.33 -0.08 115.31 124.06 1cyl h LEU 52 Ca -0.00 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.75 1cyl h LEU 52 Cb 0.49 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.42 1cyl h LEU 52 CO 0.01 0.00 -0.02 -0.09 -0.62 0.00 0.00 178.44 177.71 1cyl h ARG 53 N 0.00 -0.07 0.00 1.25 1.12 -0.78 -1.93 114.38 113.98 1cyl h ARG 53 Ca 0.18 0.00 -0.06 0.00 -1.11 0.00 0.00 59.98 58.99 1cyl h ARG 53 Cb 0.74 0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 30.71 1cyl h ARG 53 CO -0.00 0.28 -0.28 1.96 -3.11 0.00 0.00 179.97 178.81 1cyl h GLN 54 N -0.42 0.00 0.17 0.20 1.08 -0.32 -2.47 115.11 113.35 1cyl h GLN 54 Ca -0.01 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.18 1cyl h GLN 54 Cb 0.37 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.80 1cyl h GLN 54 CO 0.01 0.28 -0.08 0.35 -0.95 0.00 0.00 178.83 178.45 1cyl h PHE 55 N 0.00 -0.21 -0.29 2.96 3.57 -0.92 -0.96 116.94 121.10 1cyl h PHE 55 Ca -0.00 -0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.35 1cyl h PHE 55 Cb 0.53 0.07 -0.00 0.00 2.79 0.00 0.00 35.95 39.34 1cyl h PHE 55 CO 0.00 0.21 -0.38 0.10 -2.23 0.00 0.00 178.31 176.02 1cyl h TYR 56 N -0.74 0.93 -0.10 0.41 -0.00 -1.35 -3.07 116.97 113.05 1cyl h TYR 56 Ca -0.02 -0.30 -0.17 0.00 -0.00 0.00 0.00 58.73 58.23 1cyl h TYR 56 Cb 0.51 -0.19 -0.01 0.00 -0.00 0.00 0.00 36.73 37.05 1cyl h TYR 56 CO 0.07 1.08 -0.67 0.77 -0.00 0.00 0.00 178.16 179.41 1cyl h SER 57 N 0.52 0.49 0.12 0.10 0.02 -1.55 -3.04 113.55 110.20 1cyl h SER 57 Ca 0.03 -0.30 -0.01 0.00 -0.84 0.00 0.00 61.79 60.68 1cyl h SER 57 Cb 0.97 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.36 1cyl h SER 57 CO 0.09 1.02 -0.06 -0.74 -1.14 0.00 0.00 176.83 176.01 1cyl h HIS 58 N 0.30 -0.15 0.00 3.45 2.76 -1.20 -3.32 115.15 116.99 1cyl h HIS 58 Ca -0.02 -0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.05 1cyl h HIS 58 Cb 1.23 0.05 -0.01 0.00 1.55 0.00 0.00 27.41 30.22 1cyl h HIS 58 CO 0.04 0.34 -0.44 1.12 -1.30 0.00 0.00 177.93 177.69 1cyl h HIS 59 N -0.77 0.00 -0.06 5.26 2.07 -1.69 -3.34 115.15 116.62 1cyl h HIS 59 Ca -0.02 0.00 0.02 0.00 -2.85 0.00 0.00 60.37 57.52 1cyl h HIS 59 Cb 0.55 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.52 1cyl h HIS 59 CO 0.10 0.44 -0.00 0.39 -3.07 0.00 0.00 177.93 175.79 1cyl n GLU 60 N -3.58 -0.01 -3.86 5.12 1.02 -1.15 -1.50 120.64 116.69 1cyl n GLU 60 Ca -0.00 0.09 -0.34 0.00 -0.02 0.00 0.00 57.16 56.90 1cyl n GLU 60 Cb 0.55 -0.15 -0.13 0.00 -0.02 0.00 0.00 31.44 31.69 1cyl n GLU 60 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1cyl s LYS 61 N -4.78 1.99 0.00 3.49 3.01 -1.25 -4.86 119.74 117.34 1cyl s LYS 61 Ca -0.01 -2.18 0.00 0.00 -1.01 0.00 0.00 55.97 52.77 1cyl s LYS 61 Cb 0.02 -3.46 0.00 0.00 -1.01 0.00 0.00 37.83 33.38 1cyl s LYS 61 CO 0.05 -1.07 0.00 -3.47 0.51 0.00 0.00 175.35 171.37 1cyl n ASP 62 N 3.92 0.00 0.00 2.83 2.03 -0.56 -5.09 116.55 119.68 1cyl n ASP 62 Ca 0.03 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.34 1cyl n ASP 62 Cb 0.39 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.79 1cyl n ASP 62 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1cyl n THR 63 N 0.00 0.00 -0.51 5.18 -2.24 -1.26 -4.93 114.28 110.52 1cyl n THR 63 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1cyl n THR 63 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1cyl n THR 63 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1cyl n ARG 64 N -0.18 -0.10 -0.43 -0.78 5.12 -1.26 -0.23 116.66 118.80 1cyl n ARG 64 Ca 0.00 0.12 0.00 0.00 -1.93 0.00 0.00 57.85 56.04 1cyl n ARG 64 Cb 0.00 -0.10 0.00 0.00 -1.16 0.00 0.00 32.46 31.20 1cyl n ARG 64 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1cyl s LEU 66 N 0.00 4.83 -0.54 0.00 1.02 0.68 -4.16 118.68 120.51 1cyl s LEU 66 Ca 0.00 -0.94 0.03 0.00 0.02 0.00 0.00 54.13 53.24 1cyl s LEU 66 Cb 0.00 -2.48 0.42 0.00 0.02 0.00 0.00 46.19 44.15 1cyl s LEU 66 CO 0.00 -1.07 1.48 0.61 0.02 0.00 0.00 176.35 177.39 1cyl n GLY 67 N 5.21 5.96 2.02 -3.19 0.00 -1.26 -4.89 105.19 109.04 1cyl n GLY 67 Ca -0.05 -2.62 -0.03 0.00 0.00 0.00 0.00 46.02 43.32 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 -0.60 -0.61 -3.88 4.61 0.00 -1.26 -4.86 120.51 113.92 1cyl n ALA 68 Ca 0.47 0.04 -0.29 0.00 0.00 0.00 0.00 53.44 53.66 1cyl n ALA 68 Cb 0.62 -0.67 -0.16 0.00 0.00 0.00 0.00 19.45 19.24 1cyl n ALA 68 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1cyl s THR 69 N -1.83 1.11 0.56 0.00 -4.23 -1.26 -4.98 115.64 105.02 1cyl s THR 69 Ca 0.00 -0.76 0.34 0.00 -1.18 0.00 0.00 61.69 60.09 1cyl s THR 69 Cb 0.00 -1.37 0.50 0.00 1.34 0.00 0.00 72.50 72.97 1cyl s THR 69 CO 0.00 0.02 1.78 0.00 -0.54 0.00 0.00 174.62 175.88 1cyl h ALA 70 N 8.10 2.89 -0.02 3.99 0.00 -1.99 0.37 119.26 132.59 1cyl h ALA 70 Ca -0.21 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1cyl h ALA 70 Cb 1.10 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 1cyl h ALA 70 CO 0.39 -1.31 -0.02 0.37 0.00 0.00 0.00 179.25 178.67 1cyl h GLN 71 N 0.00 0.05 0.00 0.00 5.75 -1.96 -2.86 115.11 116.09 1cyl h GLN 71 Ca 0.47 -0.03 -0.02 0.00 -0.15 0.00 0.00 58.65 58.93 1cyl h GLN 71 Cb 2.07 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 30.62 1cyl h GLN 71 CO -0.00 0.55 -0.09 1.96 -2.65 0.00 0.00 178.83 178.60 1cyl h GLN 72 N -0.44 0.00 -0.13 1.69 1.08 -0.69 -2.05 115.11 114.57 1cyl h GLN 72 Ca 0.00 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 57.09 1cyl h GLN 72 Cb 0.54 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.96 1cyl h GLN 72 CO 0.01 0.09 -0.42 0.35 -0.95 0.00 0.00 178.83 177.90 1cyl h PHE 73 N 0.00 0.36 -0.84 2.96 3.57 -0.88 -2.99 116.94 119.11 1cyl h PHE 73 Ca -0.00 -0.10 0.08 0.00 3.53 0.00 0.00 57.97 61.48 1cyl h PHE 73 Cb 0.16 -0.08 -0.06 0.00 2.79 0.00 0.00 35.95 38.76 1cyl h PHE 73 CO 0.00 0.68 0.54 1.25 -2.23 0.00 0.00 178.31 178.55 1cyl h HIS 74 N 0.25 0.90 0.00 0.41 2.76 -1.14 0.27 115.15 118.61 1cyl h HIS 74 Ca 0.02 0.02 -0.10 0.00 -2.20 0.00 0.00 60.37 58.11 1cyl h HIS 74 Cb 0.85 -0.29 -0.01 0.00 1.55 0.00 0.00 27.41 29.50 1cyl h HIS 74 CO 0.02 0.44 -0.48 0.00 -1.30 0.00 0.00 177.93 176.61 1cyl h ARG 75 N 0.86 0.00 0.04 5.26 3.08 -1.62 -1.51 114.38 120.50 1cyl h ARG 75 Ca 0.37 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.42 1cyl h ARG 75 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.38 1cyl h ARG 75 CO -0.14 0.48 -0.02 1.25 -1.07 0.00 0.00 179.97 180.46 1cyl h HIS 76 N 0.00 -0.05 -0.13 3.04 2.76 -0.44 -1.15 115.15 119.16 1cyl h HIS 76 Ca -0.00 -0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.08 1cyl h HIS 76 Cb 0.87 0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.85 1cyl h HIS 76 CO 0.00 0.37 -0.26 1.57 -1.30 0.00 0.00 177.93 178.31 1cyl h LYS 77 N -0.49 0.41 -0.23 5.26 5.09 -1.28 -2.23 116.57 123.11 1cyl h LYS 77 Ca -0.01 -0.26 -0.05 0.00 0.09 0.00 0.00 60.65 60.42 1cyl h LYS 77 Cb 0.44 0.03 -0.01 0.00 0.10 0.00 0.00 32.23 32.80 1cyl h LYS 77 CO 0.01 0.86 -0.04 0.37 -2.09 0.00 0.00 179.45 178.56 1cyl h GLN 78 N 0.01 0.43 0.01 0.07 -0.00 -1.36 0.38 115.11 114.64 1cyl h GLN 78 Ca 0.01 -0.16 -0.00 0.00 -0.00 0.00 0.00 58.65 58.50 1cyl h GLN 78 Cb 0.84 -0.03 0.00 0.00 0.00 0.00 0.00 27.48 28.30 1cyl h GLN 78 CO 0.06 0.65 -0.01 -0.07 0.00 0.00 0.00 178.83 179.46 1cyl h LEU 79 N 0.17 -0.01 -1.80 -2.39 3.38 -1.31 -1.82 115.31 111.53 1cyl h LEU 79 Ca 0.06 -0.51 -0.02 0.00 0.09 0.00 0.00 57.88 57.49 1cyl h LEU 79 Cb 0.48 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 1cyl h LEU 79 CO 0.02 0.51 -0.10 0.40 0.09 0.00 0.00 178.44 179.35 1cyl h ILE 80 N -0.54 1.06 0.06 1.22 2.04 -1.47 0.65 117.51 120.53 1cyl h ILE 80 Ca -0.00 -0.36 -0.00 0.00 1.00 0.00 0.00 64.86 65.50 1cyl h ILE 80 Cb 0.52 1.20 0.00 0.00 -0.74 0.00 0.00 36.82 37.80 1cyl h ILE 80 CO 0.00 0.10 -0.03 0.03 0.00 0.00 0.00 178.15 178.26 1cyl h ARG 81 N 0.00 -0.08 0.00 2.37 2.47 -0.72 0.13 114.38 118.55 1cyl h ARG 81 Ca -0.00 0.01 -0.05 0.00 -1.26 0.00 0.00 59.98 58.68 1cyl h ARG 81 Cb 0.19 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.52 1cyl h ARG 81 CO 0.01 0.15 -0.22 0.74 0.56 0.00 0.00 179.97 181.21 1cyl h PHE 82 N -0.30 0.00 -0.05 3.04 -1.00 -0.65 -0.64 116.94 117.34 1cyl h PHE 82 Ca -0.01 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.72 1cyl h PHE 82 Cb 0.26 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.81 1cyl h PHE 82 CO -0.00 0.22 -0.23 -0.07 -1.61 0.00 0.00 178.31 176.62 1cyl h LEU 83 N 0.00 0.08 -0.14 1.54 3.38 0.15 -1.22 115.31 119.10 1cyl h LEU 83 Ca -0.00 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 1cyl h LEU 83 Cb 0.45 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 1cyl h LEU 83 CO 0.03 0.31 -0.20 0.50 0.09 0.00 0.00 178.44 179.17 1cyl h LYS 84 N 0.08 0.39 -0.51 1.13 3.11 0.80 -0.30 116.57 121.27 1cyl h LYS 84 Ca 0.01 -0.23 0.02 0.00 -2.81 0.00 0.00 60.65 57.65 1cyl h LYS 84 Cb 0.45 0.02 -0.03 0.00 -1.00 0.00 0.00 32.23 31.67 1cyl h LYS 84 CO 0.03 0.80 0.34 0.00 -2.81 0.00 0.00 179.45 177.81 1cyl h ARG 85 N -0.00 0.61 -0.14 1.90 3.08 -1.11 -0.42 114.38 118.29 1cyl h ARG 85 Ca 0.02 -0.04 -0.14 0.00 0.07 0.00 0.00 59.98 59.89 1cyl h ARG 85 Cb 0.76 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.66 1cyl h ARG 85 CO 0.05 0.40 -0.51 1.25 -1.07 0.00 0.00 179.97 180.08 1cyl h LEU 86 N 0.62 0.42 0.09 3.04 5.85 -0.94 -1.11 115.31 123.29 1cyl h LEU 86 Ca 0.20 -0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 1cyl h LEU 86 Cb 0.02 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 40.93 1cyl h LEU 86 CO -0.05 0.86 -0.05 -0.78 -0.34 0.00 0.00 178.44 178.09 1cyl h ASP 87 N 0.30 -0.11 -0.13 1.25 3.58 0.57 -0.24 116.42 121.65 1cyl h ASP 87 Ca 0.01 -0.42 -0.02 0.00 0.42 0.00 0.00 57.03 57.03 1cyl h ASP 87 Cb 1.01 0.03 -0.00 0.00 1.72 0.00 0.00 39.33 42.08 1cyl h ASP 87 CO 0.09 0.39 0.01 0.03 -2.88 0.00 0.00 179.24 176.88 1cyl h ARG 88 N -0.65 0.22 0.00 0.28 2.47 -1.37 -3.12 114.38 112.21 1cyl h ARG 88 Ca -0.01 -0.06 -0.11 0.00 -1.26 0.00 0.00 59.98 58.54 1cyl h ARG 88 Cb 0.52 -0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 28.80 1cyl h ARG 88 CO 0.02 0.43 -0.51 -0.91 0.56 0.00 0.00 179.97 179.56 1cyl h ASN 89 N -0.03 0.00 -0.31 7.04 4.21 -1.29 -2.95 115.58 122.25 1cyl h ASN 89 Ca 0.04 0.00 0.09 0.00 1.21 0.00 0.00 56.30 57.64 1cyl h ASN 89 Cb 0.32 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.51 1cyl h ASN 89 CO 0.00 0.51 0.22 -0.07 -1.29 0.00 0.00 177.43 176.81 1cyl h LEU 90 N 0.00 0.00 -1.40 1.61 3.38 -0.96 0.80 115.31 118.74 1cyl h LEU 90 Ca -0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1cyl h LEU 90 Cb 0.91 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 1cyl h LEU 90 CO 0.07 0.00 0.20 -0.50 0.09 0.00 0.00 178.44 178.29 1cyl h TRP 91 N 0.00 0.60 -0.19 1.13 4.06 -1.58 -2.12 115.95 117.85 1cyl h TRP 91 Ca 0.15 -0.01 -0.09 0.00 2.06 0.00 0.00 58.89 60.99 1cyl h TRP 91 Cb 0.59 -0.19 -0.00 0.00 -1.00 0.00 0.00 29.16 28.56 1cyl h TRP 91 CO 0.00 0.45 -0.25 0.78 -3.56 0.00 0.00 178.44 175.86 1cyl h GLY 92 N 0.73 0.55 0.42 1.49 0.00 -1.01 -1.66 103.07 103.59 1cyl h GLY 92 Ca 0.15 -0.60 0.14 0.00 0.00 0.00 0.00 47.33 47.02 1cyl h GLY 92 CO -0.02 0.54 0.62 -2.00 0.00 0.00 0.00 176.54 175.68 1cyl h LEU 93 N 0.16 0.86 0.03 3.11 7.12 -1.13 -2.95 115.31 122.51 1cyl h LEU 93 Ca 0.02 0.06 -0.00 0.00 0.13 0.00 0.00 57.88 58.09 1cyl h LEU 93 Cb 0.82 -0.11 0.00 0.00 -0.53 0.00 0.00 40.66 40.84 1cyl h LEU 93 CO 0.06 0.43 -0.02 0.00 -0.13 0.00 0.00 178.44 178.78 1cyl h ALA 94 N 1.57 -0.04 0.00 1.25 0.00 -1.35 -3.46 119.26 117.23 1cyl h ALA 94 Ca 0.51 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1cyl h ALA 94 Cb 0.60 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1cyl h ALA 94 CO -0.28 -0.05 0.00 0.41 0.00 0.00 0.00 179.25 179.33 1cyl n GLY 95 N 1.51 2.18 3.73 0.00 0.00 -0.63 -4.84 105.19 107.13 1cyl n GLY 95 Ca -0.05 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.73 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 3.20 -0.28 0.99 2.96 -1.26 -5.04 118.68 119.25 1cyl s LEU 96 Ca 0.00 -0.86 0.21 0.00 -0.22 0.00 0.00 54.13 53.26 1cyl s LEU 96 Cb 0.00 -1.64 0.49 0.00 0.50 0.00 0.00 46.19 45.53 1cyl s LEU 96 CO 0.00 -0.35 1.14 -3.20 -1.32 0.00 0.00 176.35 172.62 1cyl n ASN 97 N -1.15 1.14 0.00 3.68 2.85 -1.26 -4.92 115.26 115.60 1cyl n ASN 97 Ca -0.03 -2.15 0.00 0.00 -0.11 0.00 0.00 54.58 52.29 1cyl n ASN 97 Cb 0.62 -0.33 0.00 0.00 1.24 0.00 0.00 39.78 41.31 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 -0.63 0.00 -0.51 1.20 2.88 -1.26 -5.16 113.62 110.14 1cyl n SER 98 Ca 0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 1cyl n SER 98 Cb 0.81 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.27 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 1.64 1.26 -0.33 0.00 0.04 -1.26 -5.08 135.00 131.27 1cyl s PRO 100 Ca 0.00 0.03 -0.04 0.00 0.04 0.00 0.00 61.00 61.02 1cyl s PRO 100 Cb 0.00 -1.88 0.19 0.00 0.04 0.00 0.00 34.50 32.85 1cyl s PRO 100 CO 0.00 -2.06 0.90 0.14 0.04 0.00 0.00 177.00 176.02 1cyl s VAL 101 N -3.54 -0.49 -0.45 -0.36 -7.23 -1.26 -4.81 120.40 102.26 1cyl s VAL 101 Ca 0.66 0.00 0.07 0.00 -1.81 0.00 0.00 61.98 60.90 1cyl s VAL 101 Cb -0.10 -0.19 0.25 0.00 0.56 0.00 0.00 36.38 36.90 1cyl s VAL 101 CO 0.51 0.00 0.77 0.29 -0.31 0.00 0.00 175.10 176.37 1cyl n LYS 102 N 4.44 0.78 -3.65 4.82 5.02 -1.26 -5.07 118.16 123.24 1cyl n LYS 102 Ca 0.08 -2.30 -0.39 0.00 -2.02 0.00 0.00 58.31 53.69 1cyl n LYS 102 Cb 0.59 -1.37 -0.09 0.00 -0.02 0.00 0.00 35.03 34.15 1cyl n LYS 102 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1cyl s GLU 103 N -0.06 2.58 0.00 1.97 0.41 -1.26 -4.89 118.70 117.45 1cyl s GLU 103 Ca 0.33 -2.24 0.10 0.00 -0.41 0.00 0.00 54.97 52.75 1cyl s GLU 103 Cb 0.22 -3.83 0.47 0.00 -1.78 0.00 0.00 34.13 29.21 1cyl s GLU 103 CO -0.19 -1.17 1.33 0.00 -0.49 0.00 0.00 175.26 174.74 1cyl n ALA 104 N 4.03 2.52 -2.70 5.21 0.00 -1.26 -4.84 120.51 123.47 1cyl n ALA 104 Ca 0.04 -0.24 -0.18 0.00 0.00 0.00 0.00 53.44 53.05 1cyl n ALA 104 Cb 0.40 -1.09 0.08 0.00 0.00 0.00 0.00 19.45 18.85 1cyl n ALA 104 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1cyl n ASN 105 N -0.23 1.26 -3.76 0.00 2.85 -1.26 -5.13 115.26 108.99 1cyl n ASN 105 Ca 0.09 -2.00 -0.10 0.00 -0.11 0.00 0.00 54.58 52.46 1cyl n ASN 105 Cb 0.13 -0.45 -0.05 0.00 1.24 0.00 0.00 39.78 40.65 1cyl n ASN 105 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1cyl s GLN 106 N -4.37 1.24 0.14 1.20 -2.07 -1.26 -4.60 119.66 109.94 1cyl s GLN 106 Ca 0.51 -0.89 -0.07 0.00 -1.82 0.00 0.00 55.36 53.09 1cyl s GLN 106 Cb -0.03 0.47 0.03 0.00 -1.09 0.00 0.00 33.01 32.39 1cyl s GLN 106 CO 0.33 -0.50 0.34 0.45 -1.32 0.00 0.00 175.29 174.59 1cyl n SER 107 N -0.28 -0.89 -4.88 12.60 2.88 -1.21 -4.82 113.62 117.01 1cyl n SER 107 Ca -0.11 -1.59 -0.35 0.00 -1.33 0.00 0.00 58.87 55.48 1cyl n SER 107 Cb 0.63 1.48 -0.05 0.00 -0.75 0.00 0.00 64.21 65.51 1cyl n SER 107 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1cyl s THR 108 N -2.58 5.30 0.49 2.46 2.01 -1.26 -1.99 115.64 120.07 1cyl s THR 108 Ca 0.07 0.25 0.17 0.00 0.31 0.00 0.00 61.69 62.49 1cyl s THR 108 Cb -0.02 -3.56 0.31 0.00 0.01 0.00 0.00 72.50 69.25 1cyl s THR 108 CO 0.04 0.43 2.07 0.25 -0.69 0.00 0.00 174.62 176.73 1cyl h LEU 109 N 4.23 0.12 -1.09 4.42 6.46 -1.88 -0.13 115.31 127.44 1cyl h LEU 109 Ca -0.51 -0.00 0.26 0.00 -0.12 0.00 0.00 57.88 57.51 1cyl h LEU 109 Cb 1.21 -0.03 -0.12 0.00 -0.73 0.00 0.00 40.66 40.99 1cyl h LEU 109 CO 0.64 0.08 0.61 -0.08 -0.62 0.00 0.00 178.44 179.08 1cyl h GLU 110 N 0.14 0.51 -0.11 1.25 4.22 -1.89 0.49 114.58 119.19 1cyl h GLU 110 Ca 0.13 -0.03 -0.06 0.00 0.08 0.00 0.00 59.36 59.48 1cyl h GLU 110 Cb 0.33 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 1cyl h GLU 110 CO -0.02 0.34 -0.16 -0.97 -2.18 0.00 0.00 179.01 176.01 1cyl h ASN 111 N 0.52 0.33 -1.00 1.04 -1.24 -1.42 -2.56 115.58 111.25 1cyl h ASN 111 Ca 0.64 -0.53 0.24 0.00 0.71 0.00 0.00 56.30 57.36 1cyl h ASN 111 Cb 1.33 -0.09 -0.12 0.00 0.73 0.00 0.00 38.32 40.16 1cyl h ASN 111 CO -0.44 0.80 0.60 0.15 -1.29 0.00 0.00 177.43 177.24 1cyl h PHE 112 N -0.13 1.02 -0.16 0.67 3.57 0.07 0.77 116.94 122.75 1cyl h PHE 112 Ca 0.01 0.04 -0.15 0.00 3.53 0.00 0.00 57.97 61.39 1cyl h PHE 112 Cb 0.73 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 39.16 1cyl h PHE 112 CO 0.10 0.08 -0.55 -0.07 -2.23 0.00 0.00 178.31 175.64 1cyl h LEU 113 N 0.60 0.53 0.06 0.59 3.38 -1.09 0.11 115.31 119.49 1cyl h LEU 113 Ca 0.64 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 58.32 1cyl h LEU 113 Cb 1.19 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.79 1cyl h LEU 113 CO -0.47 0.97 -0.03 -0.08 0.09 0.00 0.00 178.44 178.93 1cyl h GLU 114 N 0.37 -0.07 0.11 1.13 4.22 0.65 -1.06 114.58 119.92 1cyl h GLU 114 Ca 0.01 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.45 1cyl h GLU 114 Cb 1.08 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1cyl h GLU 114 CO 0.10 0.44 -0.05 -0.09 -2.18 0.00 0.00 179.01 177.22 1cyl h ARG 115 N -0.63 -0.14 -0.94 1.92 9.65 0.10 -1.42 114.38 122.92 1cyl h ARG 115 Ca -0.01 0.01 0.04 0.00 -1.10 0.00 0.00 59.98 58.92 1cyl h ARG 115 Cb 0.54 0.03 -0.06 0.00 -1.39 0.00 0.00 29.97 29.10 1cyl h ARG 115 CO 0.01 0.06 0.62 1.25 2.80 0.00 0.00 179.97 184.71 1cyl h LEU 116 N -0.32 1.01 -0.48 3.80 5.85 -0.86 -2.44 115.31 121.86 1cyl h LEU 116 Ca -0.01 -0.01 -0.16 0.00 0.84 0.00 0.00 57.88 58.54 1cyl h LEU 116 Cb 0.26 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 1cyl h LEU 116 CO 0.02 0.68 -0.44 0.50 -0.34 0.00 0.00 178.44 178.87 1cyl h LYS 117 N 1.16 0.76 -0.31 1.25 3.64 -0.93 -3.06 116.57 119.08 1cyl h LYS 117 Ca 0.38 -0.42 -0.04 0.00 -1.27 0.00 0.00 60.65 59.30 1cyl h LYS 117 Cb 0.05 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 1cyl h LYS 117 CO -0.12 1.05 0.03 0.00 -2.27 0.00 0.00 179.45 178.14 1cyl h THR 118 N 0.61 1.17 -0.36 1.00 1.03 -0.79 -1.84 112.91 113.73 1cyl h THR 118 Ca 0.04 -0.64 -0.16 0.00 -0.01 0.00 0.00 66.41 65.64 1cyl h THR 118 Cb 1.00 0.90 -0.00 0.00 -1.07 0.00 0.00 68.15 68.97 1cyl h THR 118 CO 0.10 0.22 -0.39 0.40 -0.01 0.00 0.00 175.52 175.84 1cyl h ILE 119 N 0.45 1.28 -0.18 0.00 5.03 -1.42 -2.68 117.51 119.99 1cyl h ILE 119 Ca 0.10 -1.56 -0.13 0.00 -0.12 0.00 0.00 64.86 63.15 1cyl h ILE 119 Cb 0.25 1.45 -0.01 0.00 -3.03 0.00 0.00 36.82 35.48 1cyl h ILE 119 CO 0.00 0.52 -0.46 0.24 -0.68 0.00 0.00 178.15 177.77 1cyl h MET 120 N 0.69 0.46 -0.55 2.37 2.86 -1.39 -1.50 114.93 117.87 1cyl h MET 120 Ca 0.05 -0.25 -0.10 0.00 -2.06 0.00 0.00 59.70 57.35 1cyl h MET 120 Cb 0.98 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.63 1cyl h MET 120 CO 0.09 0.82 -0.04 0.00 1.06 0.00 0.00 176.91 178.85 1cyl h ARG 121 N 0.37 0.98 -0.31 1.72 2.47 -1.31 0.11 114.38 118.42 1cyl h ARG 121 Ca 0.02 -0.32 -0.16 0.00 -1.26 0.00 0.00 59.98 58.27 1cyl h ARG 121 Cb 0.95 -0.09 -0.00 0.00 -1.65 0.00 0.00 29.97 29.18 1cyl h ARG 121 CO 0.08 0.99 -0.43 0.93 0.56 0.00 0.00 179.97 182.10 1cyl h GLU 122 N 0.89 0.83 -0.27 0.04 5.08 -1.29 0.06 114.58 119.93 1cyl h GLU 122 Ca 0.16 -0.49 -0.17 0.00 -1.00 0.00 0.00 59.36 57.86 1cyl h GLU 122 Cb 0.57 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 1cyl h GLU 122 CO 0.03 1.12 -0.52 -0.22 -1.00 0.00 0.00 179.01 178.43 1cyl h LYS 123 N 0.61 0.78 0.00 2.33 1.63 -1.14 -2.63 116.57 118.15 1cyl h LYS 123 Ca 0.03 -0.47 -0.11 0.00 -0.85 0.00 0.00 60.65 59.25 1cyl h LYS 123 Cb 1.03 0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 32.69 1cyl h LYS 123 CO 0.10 1.10 -0.51 1.88 -3.45 0.00 0.00 179.45 178.57 1cyl h TYR 124 N 0.60 0.00 -0.56 1.91 -1.99 -0.95 -2.75 116.97 113.22 1cyl h TYR 124 Ca 0.02 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.69 1cyl h TYR 124 Cb 1.10 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 39.80 1cyl h TYR 124 CO 0.06 0.51 0.08 0.45 -0.00 0.00 0.00 178.16 179.26 1cyl n SER 125 N -3.89 5.06 -2.68 3.88 2.88 0.00 -4.54 113.62 114.34 1cyl n SER 125 Ca -0.01 -2.91 -0.05 0.00 -1.33 0.00 0.00 58.87 54.56 1cyl n SER 125 Cb 0.53 -0.69 0.09 0.00 -0.75 0.00 0.00 64.21 63.39 1cyl n SER 125 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1cyl n LYS 126 N 0.36 0.27 -0.10 -1.46 4.81 -1.01 -4.99 118.16 116.04 1cyl n LYS 126 Ca 0.29 -0.90 -0.12 0.00 -0.87 0.00 0.00 58.31 56.71 1cyl n LYS 126 Cb 1.16 -0.39 -0.04 0.00 0.02 0.00 0.00 35.03 35.79 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 -4.45 -0.29 0.00 0.00 7.64 -1.26 -4.74 113.62 110.52 1cyl n SER 128 Ca -0.03 0.00 0.15 0.00 1.01 0.00 0.00 58.87 60.00 1cyl n SER 128 Cb 0.34 0.00 0.92 0.00 -1.01 0.00 0.00 64.21 64.46 1cyl n SER 128 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79