#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 1.94 0.56 -0.41 2.20 -1.26 -5.10 119.74 117.67 1cyl s LYS 2 Ca 0.00 -1.83 -0.20 0.00 -0.36 0.00 0.00 55.97 53.57 1cyl s LYS 2 Cb 0.00 -1.82 -0.06 0.00 -1.51 0.00 0.00 37.83 34.45 1cyl s LYS 2 CO 0.00 0.15 1.10 0.00 -0.36 0.00 0.00 175.35 176.25 1cyl s ASP 4 N -1.08 4.12 0.42 0.00 2.15 -1.26 -5.01 116.67 116.01 1cyl s ASP 4 Ca 0.73 -1.20 0.14 0.00 0.43 0.00 0.00 52.55 52.65 1cyl s ASP 4 Cb -0.44 -0.45 0.90 0.00 -0.30 0.00 0.00 42.92 42.64 1cyl s ASP 4 CO 0.49 -0.45 1.92 0.40 -0.17 0.00 0.00 175.17 177.36 1cyl h ILE 5 N 1.65 1.16 -0.97 4.11 1.08 -2.02 -2.45 117.51 120.06 1cyl h ILE 5 Ca -0.43 -0.91 0.28 0.00 -0.39 0.00 0.00 64.86 63.41 1cyl h ILE 5 Cb 1.25 1.49 -0.04 0.00 -3.07 0.00 0.00 36.82 36.45 1cyl h ILE 5 CO 0.74 0.26 0.73 0.74 -0.69 0.00 0.00 178.15 179.93 1cyl h THR 6 N 0.00 0.46 -0.09 -0.27 2.02 -2.01 0.67 112.91 113.69 1cyl h THR 6 Ca -0.00 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.14 1cyl h THR 6 Cb 0.47 0.48 -0.00 0.00 -1.74 0.00 0.00 68.15 67.36 1cyl h THR 6 CO 0.03 0.00 -0.09 0.25 0.37 0.00 0.00 175.52 176.09 1cyl h LEU 7 N 0.00 0.23 -1.93 2.58 5.85 -1.85 -2.57 115.31 117.61 1cyl h LEU 7 Ca 0.46 -0.48 0.28 0.00 0.84 0.00 0.00 57.88 58.98 1cyl h LEU 7 Cb 1.92 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 42.84 1cyl h LEU 7 CO -0.00 0.66 0.76 0.06 -0.34 0.00 0.00 178.44 179.58 1cyl h GLN 8 N -0.20 0.00 -0.11 1.25 -0.00 -1.01 0.41 115.11 115.44 1cyl h GLN 8 Ca 0.01 0.00 -0.06 0.00 -0.00 0.00 0.00 58.65 58.61 1cyl h GLN 8 Cb 0.60 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.08 1cyl h GLN 8 CO 0.02 0.00 -0.15 0.93 -0.00 0.00 0.00 178.83 179.63 1cyl h GLU 9 N 0.00 0.29 -0.39 0.06 5.08 -1.33 -2.26 114.58 116.03 1cyl h GLU 9 Ca 0.46 -0.17 -0.04 0.00 -1.00 0.00 0.00 59.36 58.62 1cyl h GLU 9 Cb 1.98 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 31.22 1cyl h GLU 9 CO -0.00 0.73 0.09 0.82 -1.00 0.00 0.00 179.01 179.64 1cyl h ILE 10 N -0.12 1.18 0.00 3.13 5.03 -0.03 -1.09 117.51 125.61 1cyl h ILE 10 Ca 0.01 -0.65 -0.10 0.00 -0.12 0.00 0.00 64.86 64.00 1cyl h ILE 10 Cb 0.70 0.80 -0.01 0.00 -3.03 0.00 0.00 36.82 35.27 1cyl h ILE 10 CO 0.03 0.23 -0.50 0.40 -0.68 0.00 0.00 178.15 177.64 1cyl h ILE 11 N 0.56 1.31 -0.15 -0.67 2.04 -1.25 -0.72 117.51 118.63 1cyl h ILE 11 Ca 0.13 -1.74 -0.04 0.00 1.00 0.00 0.00 64.86 64.21 1cyl h ILE 11 Cb 0.23 1.95 -0.00 0.00 -0.74 0.00 0.00 36.82 38.25 1cyl h ILE 11 CO -0.00 0.49 -0.05 0.50 0.00 0.00 0.00 178.15 179.09 1cyl h LYS 12 N 0.00 0.30 -0.31 2.37 3.64 -0.60 0.67 116.57 122.63 1cyl h LYS 12 Ca -0.00 -0.12 -0.17 0.00 -1.27 0.00 0.00 60.65 59.09 1cyl h LYS 12 Cb 0.91 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.71 1cyl h LYS 12 CO 0.06 0.59 -0.46 1.15 -2.27 0.00 0.00 179.45 178.53 1cyl h THR 13 N -0.02 1.28 0.00 1.00 2.02 -1.29 -2.57 112.91 113.33 1cyl h THR 13 Ca 0.04 -1.64 -0.06 0.00 0.77 0.00 0.00 66.41 65.51 1cyl h THR 13 Cb 0.49 1.57 -0.01 0.00 -1.74 0.00 0.00 68.15 68.46 1cyl h THR 13 CO 0.02 0.54 -0.30 0.25 0.37 0.00 0.00 175.52 176.39 1cyl h LEU 14 N 0.64 0.00 -0.01 2.58 5.85 -1.12 -3.03 115.31 120.23 1cyl h LEU 14 Ca 0.03 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 1cyl h LEU 14 Cb 1.06 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.09 1cyl h LEU 14 CO 0.11 0.30 -0.01 0.78 -0.34 0.00 0.00 178.44 179.27 1cyl h ASN 15 N 0.00 0.03 -0.55 1.25 4.21 -0.65 -3.15 115.58 116.71 1cyl h ASN 15 Ca -0.00 -0.56 0.11 0.00 1.21 0.00 0.00 56.30 57.06 1cyl h ASN 15 Cb 0.56 -0.01 -0.10 0.00 -1.12 0.00 0.00 38.32 37.66 1cyl h ASN 15 CO 0.04 0.58 -0.04 0.28 -1.29 0.00 0.00 177.43 177.00 1cyl h SER 16 N -0.53 -0.31 -0.53 5.81 0.02 -1.34 0.11 113.55 116.78 1cyl h SER 16 Ca 0.00 0.14 0.07 0.00 -0.84 0.00 0.00 61.79 61.16 1cyl h SER 16 Cb 0.57 0.27 -0.03 0.00 0.14 0.00 0.00 62.40 63.35 1cyl h SER 16 CO 0.00 -0.12 0.36 -0.07 -1.14 0.00 0.00 176.83 175.86 1cyl h LEU 17 N 0.08 0.38 -0.06 5.07 3.38 -1.60 -0.74 115.31 121.82 1cyl h LEU 17 Ca 0.28 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.22 1cyl h LEU 17 Cb 0.44 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 1cyl h LEU 17 CO -0.49 0.25 -0.07 0.71 0.09 0.00 0.00 178.44 178.92 1cyl h THR 18 N 0.44 1.38 -0.05 0.22 1.35 -0.77 -2.88 112.91 112.60 1cyl h THR 18 Ca 0.23 -1.25 0.01 0.00 -0.55 0.00 0.00 66.41 64.85 1cyl h THR 18 Cb 0.36 2.08 -0.00 0.00 -1.73 0.00 0.00 68.15 68.86 1cyl h THR 18 CO -0.06 0.35 0.04 -0.33 -0.25 0.00 0.00 175.52 175.26 1cyl h GLU 19 N -0.29 0.00 -4.42 4.72 3.07 -0.75 -3.32 114.58 113.59 1cyl h GLU 19 Ca 0.01 0.00 -0.69 0.00 -0.50 0.00 0.00 59.36 58.18 1cyl h GLU 19 Cb 0.59 0.00 -0.35 0.00 -0.84 0.00 0.00 28.75 28.15 1cyl h GLU 19 CO 0.02 0.00 -0.55 -0.65 -1.40 0.00 0.00 179.01 176.43 1cyl s GLN 20 N -5.01 2.01 -0.43 2.33 -0.21 -0.34 -4.93 119.66 113.08 1cyl s GLN 20 Ca -0.05 -1.89 0.02 0.00 0.02 0.00 0.00 55.36 53.46 1cyl s GLN 20 Cb 0.17 -3.57 0.25 0.00 1.00 0.00 0.00 33.01 30.86 1cyl s GLN 20 CO 0.66 -1.07 1.01 1.17 -2.12 0.00 0.00 175.29 174.94 1cyl n LYS 21 N 4.47 0.49 0.00 2.91 3.00 -1.24 -4.66 118.16 123.13 1cyl n LYS 21 Ca -0.01 -1.34 0.00 0.00 -0.00 0.00 0.00 58.31 56.96 1cyl n LYS 21 Cb 0.41 -0.94 0.00 0.00 0.00 0.00 0.00 35.03 34.50 1cyl n LYS 21 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.40 175.03 1cyl n THR 22 N 1.78 0.00 -1.51 3.15 5.66 -1.26 -4.65 114.28 117.46 1cyl n THR 22 Ca 0.07 0.22 0.05 0.00 -3.05 0.00 0.00 64.05 61.34 1cyl n THR 22 Cb 0.65 -0.45 0.20 0.00 -1.55 0.00 0.00 70.33 69.18 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 -0.46 2.89 -1.85 1.09 7.99 -1.26 -4.66 117.00 120.74 1cyl n LEU 23 Ca 0.00 -3.78 -0.11 0.00 -0.01 0.00 0.00 56.01 52.11 1cyl n LEU 23 Cb 0.00 -0.53 0.24 0.00 -0.11 0.00 0.00 43.42 43.01 1cyl n LEU 23 CO 0.00 1.29 1.05 0.00 -1.51 0.00 0.00 177.39 178.22 1cyl n THR 25 N -0.74 0.00 -1.28 0.00 -2.24 -1.26 -4.56 114.28 104.19 1cyl n THR 25 Ca 0.45 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 62.12 1cyl n THR 25 Cb 1.40 -0.57 -0.05 0.00 -2.10 0.00 0.00 70.33 69.02 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 -0.46 -1.64 0.30 -0.78 1.02 -1.26 -4.74 120.64 113.08 1cyl n GLU 26 Ca 0.00 0.84 0.20 0.00 -0.02 0.00 0.00 57.16 58.18 1cyl n GLU 26 Cb 0.00 -5.15 0.97 0.00 -0.02 0.00 0.00 31.44 27.24 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 -0.61 -4.62 3.38 -1.91 -3.44 115.31 108.11 1cyl h LEU 27 Ca -0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1cyl h LEU 27 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1cyl h LEU 27 CO 0.34 0.00 0.00 0.41 0.09 0.00 0.00 178.44 179.28 1cyl n THR 28 N -3.01 -1.55 -3.88 0.22 -1.04 -1.26 -4.83 114.28 98.93 1cyl n THR 28 Ca -0.01 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.90 1cyl n THR 28 Cb 0.16 -1.55 -0.09 0.00 -1.82 0.00 0.00 70.33 67.04 1cyl n THR 28 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 1cyl s VAL 29 N -0.33 0.12 -0.06 12.58 -7.23 -0.62 -4.62 120.40 120.23 1cyl s VAL 29 Ca 0.00 -1.02 -0.34 0.00 -1.81 0.00 0.00 61.98 58.81 1cyl s VAL 29 Cb 0.00 -0.98 -0.12 0.00 0.56 0.00 0.00 36.38 35.85 1cyl s VAL 29 CO 0.00 -0.56 1.86 0.41 -0.31 0.00 0.00 175.10 176.50 1cyl n THR 30 N 0.60 0.54 -1.93 5.32 -1.04 -1.26 -1.54 114.28 114.97 1cyl n THR 30 Ca -0.18 -0.10 -0.30 0.00 -2.04 0.00 0.00 64.05 61.43 1cyl n THR 30 Cb 0.59 -1.87 -0.04 0.00 -1.82 0.00 0.00 70.33 67.19 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 3.81 4.95 -0.15 8.00 -1.08 -1.26 -4.76 116.67 126.18 1cyl s ASP 31 Ca 0.91 -0.06 0.00 0.00 -0.52 0.00 0.00 52.55 52.89 1cyl s ASP 31 Cb -0.68 -2.54 0.16 0.00 -1.46 0.00 0.00 42.92 38.40 1cyl s ASP 31 CO 0.50 -2.78 1.62 2.30 0.52 0.00 0.00 175.17 177.33 1cyl n ILE 32 N 7.78 2.02 -2.47 4.11 -6.64 -1.26 -3.98 119.36 118.92 1cyl n ILE 32 Ca 0.34 -0.84 -0.00 0.00 -1.77 0.00 0.00 62.75 60.48 1cyl n ILE 32 Cb 0.49 -1.12 0.05 0.00 -1.44 0.00 0.00 39.64 37.62 1cyl n ILE 32 CO 0.00 0.00 0.00 0.49 -1.77 0.00 0.00 176.55 175.27 1cyl n PHE 33 N 0.43 0.75 -3.00 4.28 3.72 -1.26 -4.80 117.46 117.56 1cyl n PHE 33 Ca 0.17 -1.40 -0.17 0.00 -0.05 0.00 0.00 57.45 56.01 1cyl n PHE 33 Cb 0.69 -0.21 -0.01 0.00 -0.94 0.00 0.00 39.48 39.00 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 -0.22 2.70 -2.66 4.37 0.00 -1.26 -4.81 120.51 118.64 1cyl n ALA 34 Ca 0.12 -3.47 -0.03 0.00 0.00 0.00 0.00 53.44 50.06 1cyl n ALA 34 Cb 0.95 -0.90 0.04 0.00 0.00 0.00 0.00 19.45 19.53 1cyl n ALA 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1cyl s ALA 35 N -2.74 -4.81 -1.19 0.00 0.00 -1.26 -4.96 121.76 106.80 1cyl s ALA 35 Ca 0.38 0.76 -0.04 0.00 0.00 0.00 0.00 51.96 53.05 1cyl s ALA 35 Cb 0.37 -3.02 0.00 0.00 0.00 0.00 0.00 23.12 20.48 1cyl s ALA 35 CO -0.06 -2.57 1.02 0.43 0.00 0.00 0.00 175.76 174.58 1cyl n SER 36 N 2.59 -3.91 0.00 0.00 7.64 -1.26 -4.84 113.62 113.84 1cyl n SER 36 Ca 0.10 -0.55 0.08 0.00 1.01 0.00 0.00 58.87 59.52 1cyl n SER 36 Cb 0.66 -4.80 0.45 0.00 -1.01 0.00 0.00 64.21 59.51 1cyl n SER 36 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1cyl n LYS 37 N -4.30 0.35 -0.10 1.43 2.85 -1.26 -2.43 118.16 114.70 1cyl n LYS 37 Ca -0.14 0.08 0.03 0.00 -1.05 0.00 0.00 58.31 57.22 1cyl n LYS 37 Cb 0.61 -1.50 0.08 0.00 -0.65 0.00 0.00 35.03 33.57 1cyl n LYS 37 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 1cyl n ASN 38 N -1.17 1.05 -3.99 -5.58 5.15 -1.26 -4.87 115.26 104.59 1cyl n ASN 38 Ca 0.10 -2.02 -0.30 0.00 -0.60 0.00 0.00 54.58 51.76 1cyl n ASN 38 Cb 0.10 -0.15 0.21 0.00 -0.53 0.00 0.00 39.78 39.40 1cyl n ASN 38 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 1cyl s THR 39 N -1.73 1.82 0.35 -0.44 -1.32 -1.02 -4.93 115.64 108.37 1cyl s THR 39 Ca 0.12 0.00 -0.25 0.00 -1.21 0.00 0.00 61.69 60.35 1cyl s THR 39 Cb 0.07 -2.77 -0.13 0.00 -1.51 0.00 0.00 72.50 68.15 1cyl s THR 39 CO 0.08 0.00 0.81 0.41 -2.21 0.00 0.00 174.62 173.71 1cyl n THR 40 N -4.21 2.03 -0.23 5.08 -1.04 -1.26 -4.77 114.28 109.87 1cyl n THR 40 Ca 0.14 -0.50 -0.01 0.00 -2.04 0.00 0.00 64.05 61.64 1cyl n THR 40 Cb 0.59 -0.79 0.10 0.00 -1.82 0.00 0.00 70.33 68.41 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 1.41 0.65 -0.96 -2.82 4.39 -1.93 0.18 114.58 115.51 1cyl h GLU 41 Ca -0.40 -0.04 0.25 0.00 0.34 0.00 0.00 59.36 59.52 1cyl h GLU 41 Cb 1.37 -0.15 -0.06 0.00 -0.10 0.00 0.00 28.75 29.81 1cyl h GLU 41 CO 0.56 0.43 0.66 1.57 -1.16 0.00 0.00 179.01 181.07 1cyl h LYS 42 N 0.67 0.20 -0.15 2.33 5.09 -1.89 0.71 116.57 123.54 1cyl h LYS 42 Ca 0.30 -0.01 -0.07 0.00 0.09 0.00 0.00 60.65 60.96 1cyl h LYS 42 Cb 0.20 -0.04 -0.00 0.00 0.10 0.00 0.00 32.23 32.48 1cyl h LYS 42 CO -0.19 0.13 -0.18 1.49 -2.09 0.00 0.00 179.45 178.62 1cyl h GLU 43 N 0.21 0.38 0.00 0.07 4.81 -1.28 -2.48 114.58 116.28 1cyl h GLU 43 Ca 0.49 -0.21 -0.00 0.00 -0.13 0.00 0.00 59.36 59.50 1cyl h GLU 43 Cb 1.56 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.95 1cyl h GLU 43 CO -0.12 0.78 -0.02 0.00 -0.73 0.00 0.00 179.01 178.92 1cyl h THR 44 N 0.00 0.94 0.00 0.32 1.03 -0.72 0.39 112.91 114.87 1cyl h THR 44 Ca 0.02 -0.06 -0.11 0.00 -0.01 0.00 0.00 66.41 66.25 1cyl h THR 44 Cb 0.72 1.03 -0.02 0.00 -1.07 0.00 0.00 68.15 68.82 1cyl h THR 44 CO 0.04 0.02 -0.52 -0.26 -0.01 0.00 0.00 175.52 174.79 1cyl h PHE 45 N 0.00 0.00 0.06 0.00 0.04 -0.99 -0.31 116.94 115.75 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 0.03 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.18 1cyl h PHE 45 CO 0.00 0.52 -0.03 0.00 -0.60 0.00 0.00 178.31 178.20 1cyl h ARG 47 N -0.54 0.28 -0.27 0.00 2.43 -1.51 -2.77 114.38 112.00 1cyl h ARG 47 Ca -0.01 -0.18 -0.16 0.00 -0.81 0.00 0.00 59.98 58.82 1cyl h ARG 47 Cb 0.47 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 1cyl h ARG 47 CO 0.01 0.77 -0.46 0.00 -1.51 0.00 0.00 179.97 178.78 1cyl h ALA 48 N 1.19 0.68 0.00 2.80 0.00 -1.05 -2.84 119.26 120.03 1cyl h ALA 48 Ca 0.00 -0.48 -0.10 0.00 0.00 0.00 0.00 54.91 54.33 1cyl h ALA 48 Cb 1.06 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1cyl h ALA 48 CO 0.09 0.67 -0.49 0.00 0.00 0.00 0.00 179.25 179.52 1cyl h ALA 49 N 0.91 1.16 -0.46 0.00 0.00 -1.16 -2.62 119.26 117.10 1cyl h ALA 49 Ca 0.03 -0.44 -0.09 0.00 0.00 0.00 0.00 54.91 54.41 1cyl h ALA 49 Cb 1.02 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1cyl h ALA 49 CO 0.10 0.61 -0.08 1.15 0.00 0.00 0.00 179.25 181.03 1cyl h THR 50 N 0.00 1.27 -0.02 0.00 2.02 -1.26 -2.20 112.91 112.72 1cyl h THR 50 Ca -0.00 -1.18 -0.01 0.00 0.77 0.00 0.00 66.41 65.99 1cyl h THR 50 Cb 0.88 1.10 -0.00 0.00 -1.74 0.00 0.00 68.15 68.39 1cyl h THR 50 CO 0.06 0.40 -0.03 1.62 0.37 0.00 0.00 175.52 177.95 1cyl h VAL 51 N 0.70 1.41 -0.19 3.16 3.04 -1.36 -2.52 116.25 120.49 1cyl h VAL 51 Ca 0.12 -1.26 0.05 0.00 -1.01 0.00 0.00 66.70 64.61 1cyl h VAL 51 Cb 0.61 2.22 -0.01 0.00 -2.01 0.00 0.00 31.29 32.10 1cyl h VAL 51 CO 0.04 0.33 0.14 0.17 -1.01 0.00 0.00 177.57 177.24 1cyl h LEU 52 N -0.46 0.00 0.06 3.16 8.10 -1.51 0.13 115.31 124.79 1cyl h LEU 52 Ca 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 57.99 1cyl h LEU 52 Cb 0.56 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.78 1cyl h LEU 52 CO 0.01 0.00 -0.03 -0.09 -4.11 0.00 0.00 178.44 174.22 1cyl h ARG 53 N 0.00 -0.08 0.00 0.17 2.43 -1.18 -1.63 114.38 114.09 1cyl h ARG 53 Ca 0.09 0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.18 1cyl h ARG 53 Cb 0.37 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 1cyl h ARG 53 CO -0.00 0.17 -0.41 -0.56 -1.51 0.00 0.00 179.97 177.65 1cyl h GLN 54 N -0.31 0.00 0.10 0.20 -0.00 -0.86 -2.50 115.11 111.75 1cyl h GLN 54 Ca -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.64 1cyl h GLN 54 Cb 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.76 1cyl h GLN 54 CO 0.01 0.41 -0.05 0.35 -0.00 0.00 0.00 178.83 179.56 1cyl h PHE 55 N 0.00 -0.13 -0.18 0.06 3.57 -0.61 -0.72 116.94 118.94 1cyl h PHE 55 Ca -0.00 -0.00 -0.18 0.00 3.53 0.00 0.00 57.97 61.31 1cyl h PHE 55 Cb 0.84 0.04 0.01 0.00 2.79 0.00 0.00 35.95 39.63 1cyl h PHE 55 CO 0.00 0.33 -0.61 0.10 -2.23 0.00 0.00 178.31 175.90 1cyl h TYR 56 N -0.65 0.96 -0.25 0.41 -0.00 -1.35 -2.61 116.97 113.47 1cyl h TYR 56 Ca -0.01 -0.39 -0.19 0.00 0.00 0.00 0.00 58.73 58.14 1cyl h TYR 56 Cb 0.51 -0.16 0.00 0.00 0.00 0.00 0.00 36.73 37.08 1cyl h TYR 56 CO 0.08 1.20 -0.58 0.77 -0.00 0.00 0.00 178.16 179.64 1cyl h SER 57 N 0.44 0.90 -0.14 0.10 0.02 -1.55 -2.17 113.55 111.15 1cyl h SER 57 Ca -0.03 -0.50 -0.07 0.00 -0.84 0.00 0.00 61.79 60.36 1cyl h SER 57 Cb 1.24 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 63.52 1cyl h SER 57 CO 0.13 1.28 -0.18 -0.74 -1.14 0.00 0.00 176.83 176.18 1cyl h HIS 58 N 0.61 0.44 0.03 3.45 2.76 -1.20 -3.31 115.15 117.93 1cyl h HIS 58 Ca 0.01 -0.14 -0.00 0.00 -2.20 0.00 0.00 60.37 58.03 1cyl h HIS 58 Cb 1.17 -0.09 0.00 0.00 1.55 0.00 0.00 27.41 30.05 1cyl h HIS 58 CO 0.07 0.79 -0.02 0.45 -1.30 0.00 0.00 177.93 177.92 1cyl h HIS 59 N -0.03 -0.04 -6.18 5.26 3.86 -1.55 -3.47 115.15 113.01 1cyl h HIS 59 Ca 0.02 -0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 59.06 1cyl h HIS 59 Cb 0.73 0.01 -0.00 0.00 1.06 0.00 0.00 27.41 29.21 1cyl h HIS 59 CO 0.09 0.46 -0.32 0.39 0.86 0.00 0.00 177.93 179.41 1cyl n GLU 60 N -4.86 -0.59 0.00 2.45 1.02 -0.82 -1.97 120.64 115.88 1cyl n GLU 60 Ca -0.09 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.07 1cyl n GLU 60 Cb 0.26 -0.44 0.00 0.00 -0.02 0.00 0.00 31.44 31.24 1cyl n GLU 60 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1cyl n LYS 61 N -1.52 0.00 -3.82 3.49 5.02 -1.26 -4.91 118.16 115.16 1cyl n LYS 61 Ca -0.07 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.89 1cyl n LYS 61 Cb 0.19 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.14 1cyl n LYS 61 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1cyl n ASP 62 N 3.01 -1.41 -2.85 4.39 -0.08 -0.83 0.14 116.55 118.92 1cyl n ASP 62 Ca 0.00 -0.92 -0.12 0.00 -1.51 0.00 0.00 54.79 52.24 1cyl n ASP 62 Cb 0.00 -1.24 0.06 0.00 2.34 0.00 0.00 41.12 42.28 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 -3.24 -5.75 -3.35 5.18 -1.04 -1.26 -4.95 114.28 99.87 1cyl n THR 63 Ca 0.09 -0.67 -0.46 0.00 -2.04 0.00 0.00 64.05 60.97 1cyl n THR 63 Cb 0.36 -4.97 -0.02 0.00 -1.82 0.00 0.00 70.33 63.87 1cyl n THR 63 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 1cyl s ARG 64 N -4.61 3.64 -1.20 -2.82 3.52 0.36 -4.46 118.95 113.38 1cyl s ARG 64 Ca 0.15 -2.57 0.00 0.00 -0.13 0.00 0.00 55.73 53.18 1cyl s ARG 64 Cb -0.02 -4.42 0.00 0.00 -1.56 0.00 0.00 34.95 28.95 1cyl s ARG 64 CO 0.56 -1.28 0.00 0.00 -0.81 0.00 0.00 175.30 173.77 1cyl s LEU 66 N -2.83 3.69 0.00 0.00 1.02 -1.26 -4.45 118.68 114.85 1cyl s LEU 66 Ca 0.00 -1.71 0.00 0.00 0.02 0.00 0.00 54.13 52.44 1cyl s LEU 66 Cb 0.00 -2.56 0.00 0.00 0.02 0.00 0.00 46.19 43.65 1cyl s LEU 66 CO 0.00 -1.40 0.00 0.61 0.02 0.00 0.00 176.35 175.58 1cyl n GLY 67 N 6.47 0.00 0.26 -3.19 0.00 -1.26 -4.81 105.19 102.66 1cyl n GLY 67 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.38 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 -0.77 2.15 -0.07 4.61 0.00 -1.26 -4.88 120.51 120.29 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 0.06 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.51 1cyl n ALA 68 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1cyl n THR 69 N -0.16 0.00 -0.10 0.00 -1.04 -1.26 -3.02 114.28 108.69 1cyl n THR 69 Ca 0.00 0.00 0.26 0.00 -2.04 0.00 0.00 64.05 62.27 1cyl n THR 69 Cb 0.10 0.00 0.66 0.00 -1.82 0.00 0.00 70.33 69.27 1cyl n THR 69 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1cyl h ALA 70 N -0.07 2.61 0.03 2.41 0.00 -2.00 1.02 119.26 123.25 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 -1.17 -0.01 0.37 0.00 0.00 0.00 179.25 178.43 1cyl h GLN 71 N 0.00 -0.03 -1.00 0.00 5.75 -1.95 -1.54 115.11 116.34 1cyl h GLN 71 Ca 0.37 0.00 0.29 0.00 -0.15 0.00 0.00 58.65 59.16 1cyl h GLN 71 Cb 1.91 0.01 -0.04 0.00 1.07 0.00 0.00 27.48 30.43 1cyl h GLN 71 CO -0.00 0.19 0.73 -0.56 -2.65 0.00 0.00 178.83 176.54 1cyl h GLN 72 N -0.26 0.00 -0.21 1.69 3.07 0.10 0.10 115.11 119.60 1cyl h GLN 72 Ca -0.00 0.00 -0.10 0.00 0.09 0.00 0.00 58.65 58.63 1cyl h GLN 72 Cb 0.24 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.80 1cyl h GLN 72 CO 0.01 0.00 -0.27 0.35 0.09 0.00 0.00 178.83 179.01 1cyl h PHE 73 N 0.00 0.68 -0.28 0.06 3.57 -0.93 -1.10 116.94 118.93 1cyl h PHE 73 Ca 0.47 -0.22 -0.07 0.00 3.53 0.00 0.00 57.97 61.69 1cyl h PHE 73 Cb 1.92 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 40.52 1cyl h PHE 73 CO 0.00 0.92 -0.11 1.25 -2.23 0.00 0.00 178.31 178.15 1cyl h HIS 74 N 0.24 0.66 -0.05 0.41 2.76 -0.55 -1.89 115.15 116.72 1cyl h HIS 74 Ca 0.03 -0.15 -0.06 0.00 -2.20 0.00 0.00 60.37 57.98 1cyl h HIS 74 Cb 0.83 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 29.63 1cyl h HIS 74 CO 0.08 0.80 -0.27 -0.09 -1.30 0.00 0.00 177.93 177.15 1cyl h ARG 75 N 0.33 0.09 -0.00 5.26 2.43 -1.40 -1.09 114.38 119.99 1cyl h ARG 75 Ca 0.07 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1cyl h ARG 75 Cb 0.61 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.15 1cyl h ARG 75 CO 0.04 0.35 -0.00 1.25 -1.51 0.00 0.00 179.97 180.10 1cyl h HIS 76 N 0.08 0.00 -0.04 2.20 2.76 -0.92 -2.42 115.15 116.81 1cyl h HIS 76 Ca 0.01 -0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.11 1cyl h HIS 76 Cb 0.52 -0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.47 1cyl h HIS 76 CO 0.00 0.50 -0.31 0.87 -1.30 0.00 0.00 177.93 177.70 1cyl h LYS 77 N -0.50 0.08 -0.21 5.26 1.57 -1.20 -1.90 116.57 119.66 1cyl h LYS 77 Ca 0.00 -0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 58.65 1cyl h LYS 77 Cb 0.50 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.81 1cyl h LYS 77 CO 0.00 0.39 -0.25 0.37 -0.57 0.00 0.00 179.45 179.38 1cyl h GLN 78 N 0.07 0.55 -0.07 3.15 4.15 -1.17 -0.23 115.11 121.55 1cyl h GLN 78 Ca 0.01 -0.30 -0.04 0.00 0.77 0.00 0.00 58.65 59.08 1cyl h GLN 78 Cb 0.59 0.02 -0.00 0.00 0.21 0.00 0.00 27.48 28.30 1cyl h GLN 78 CO 0.04 0.90 -0.12 -0.07 -1.93 0.00 0.00 178.83 177.65 1cyl h LEU 79 N 0.23 0.24 -1.48 -2.39 3.38 -1.32 -1.65 115.31 112.31 1cyl h LEU 79 Ca 0.03 -0.54 -0.06 0.00 0.09 0.00 0.00 57.88 57.40 1cyl h LEU 79 Cb 0.82 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 1cyl h LEU 79 CO 0.06 0.73 -0.27 0.40 0.09 0.00 0.00 178.44 179.46 1cyl h ILE 80 N -0.25 1.12 0.03 1.22 1.08 -1.42 0.79 117.51 120.07 1cyl h ILE 80 Ca 0.01 -0.93 -0.00 0.00 -0.39 0.00 0.00 64.86 63.54 1cyl h ILE 80 Cb 0.69 1.51 0.00 0.00 -3.07 0.00 0.00 36.82 35.95 1cyl h ILE 80 CO 0.03 0.26 -0.01 -0.09 -0.69 0.00 0.00 178.15 177.64 1cyl h ARG 81 N 0.00 -0.04 0.00 2.37 2.43 -0.92 -0.01 114.38 118.21 1cyl h ARG 81 Ca -0.00 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.10 1cyl h ARG 81 Cb 0.49 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 1cyl h ARG 81 CO 0.03 0.36 -0.32 0.74 -1.51 0.00 0.00 179.97 179.27 1cyl h PHE 82 N -0.44 0.00 -0.37 2.20 -1.00 -1.01 -1.60 116.94 114.72 1cyl h PHE 82 Ca -0.00 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.71 1cyl h PHE 82 Cb 0.41 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.95 1cyl h PHE 82 CO 0.06 0.32 -0.05 -0.07 -1.61 0.00 0.00 178.31 176.97 1cyl h LEU 83 N 0.00 0.57 -0.08 1.54 3.38 0.10 -1.11 115.31 119.72 1cyl h LEU 83 Ca -0.00 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 1cyl h LEU 83 Cb 0.62 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 1cyl h LEU 83 CO 0.04 0.68 -0.12 0.50 0.09 0.00 0.00 178.44 179.63 1cyl h LYS 84 N 0.56 0.22 -0.84 1.13 3.64 -0.13 -1.60 116.57 119.56 1cyl h LYS 84 Ca 0.11 -0.13 0.16 0.00 -1.27 0.00 0.00 60.65 59.52 1cyl h LYS 84 Cb 0.43 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.20 1cyl h LYS 84 CO 0.02 0.70 0.55 -0.09 -2.27 0.00 0.00 179.45 178.36 1cyl h ARG 85 N -0.24 0.51 -0.20 1.90 2.43 -0.98 0.35 114.38 118.15 1cyl h ARG 85 Ca 0.01 -0.03 -0.14 0.00 -0.81 0.00 0.00 59.98 59.01 1cyl h ARG 85 Cb 0.68 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.10 1cyl h ARG 85 CO 0.03 0.34 -0.45 1.25 -1.51 0.00 0.00 179.97 179.62 1cyl h LEU 86 N 0.52 0.55 -0.10 3.80 5.85 -0.94 -1.68 115.31 123.32 1cyl h LEU 86 Ca 0.42 -0.26 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 1cyl h LEU 86 Cb 0.86 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.74 1cyl h LEU 86 CO -0.17 0.92 -0.03 -0.78 -0.34 0.00 0.00 178.44 178.05 1cyl h ASP 87 N 0.41 0.19 -0.08 1.25 3.58 0.67 -0.22 116.42 122.22 1cyl h ASP 87 Ca 0.03 -0.38 -0.04 0.00 0.42 0.00 0.00 57.03 57.06 1cyl h ASP 87 Cb 0.96 -0.05 -0.00 0.00 1.72 0.00 0.00 39.33 41.95 1cyl h ASP 87 CO 0.08 0.52 -0.11 0.03 -2.88 0.00 0.00 179.24 176.89 1cyl h ARG 88 N -0.15 0.22 0.00 0.28 3.08 -1.36 -3.25 114.38 113.20 1cyl h ARG 88 Ca 0.02 -0.12 -0.11 0.00 0.07 0.00 0.00 59.98 59.84 1cyl h ARG 88 Cb 0.44 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.48 1cyl h ARG 88 CO 0.01 0.67 -0.50 -0.91 -1.07 0.00 0.00 179.97 178.17 1cyl h ASN 89 N -0.22 0.00 -0.65 7.04 -0.26 -1.38 -3.11 115.58 116.99 1cyl h ASN 89 Ca 0.01 0.00 0.04 0.00 -0.56 0.00 0.00 56.30 55.79 1cyl h ASN 89 Cb 0.64 0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 37.86 1cyl h ASN 89 CO 0.03 0.50 0.38 -0.07 -1.06 0.00 0.00 177.43 177.21 1cyl h LEU 90 N 0.00 0.59 -1.74 1.61 3.38 -1.06 0.82 115.31 118.92 1cyl h LEU 90 Ca -0.01 0.02 0.27 0.00 0.09 0.00 0.00 57.88 58.25 1cyl h LEU 90 Cb 0.91 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 41.49 1cyl h LEU 90 CO 0.07 0.40 0.70 -0.50 0.09 0.00 0.00 178.44 179.19 1cyl h TRP 91 N 0.73 0.27 -0.24 1.13 4.06 -1.60 0.61 115.95 120.90 1cyl h TRP 91 Ca 0.28 0.01 -0.08 0.00 2.06 0.00 0.00 58.89 61.16 1cyl h TRP 91 Cb 0.10 -0.08 -0.01 0.00 -1.00 0.00 0.00 29.16 28.18 1cyl h TRP 91 CO -0.06 0.04 -0.15 0.78 -3.56 0.00 0.00 178.44 175.48 1cyl h GLY 92 N 0.18 0.58 0.67 1.49 0.00 -0.97 -1.09 103.07 103.93 1cyl h GLY 92 Ca 0.52 -0.55 0.09 0.00 0.00 0.00 0.00 47.33 47.39 1cyl h GLY 92 CO -0.12 0.50 0.61 -2.00 0.00 0.00 0.00 176.54 175.53 1cyl h LEU 93 N 0.25 0.91 0.00 3.11 7.12 0.50 -3.27 115.31 123.93 1cyl h LEU 93 Ca 0.05 0.02 0.00 0.00 0.13 0.00 0.00 57.88 58.08 1cyl h LEU 93 Cb 0.68 -0.16 0.00 0.00 -0.53 0.00 0.00 40.66 40.64 1cyl h LEU 93 CO 0.04 0.54 0.00 0.00 -0.13 0.00 0.00 178.44 178.89 1cyl n ALA 94 N -2.38 -0.04 0.00 1.25 0.00 -0.59 -4.87 120.51 113.89 1cyl n ALA 94 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1cyl n ALA 94 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.73 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 1.80 4.17 3.81 0.00 0.00 -0.43 -4.92 105.19 109.63 1cyl n GLY 95 Ca 0.00 -0.64 -0.22 0.00 0.00 0.00 0.00 46.02 45.16 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 3.40 -0.20 0.99 2.96 -1.26 -4.98 118.68 119.59 1cyl s LEU 96 Ca 0.00 -0.70 0.12 0.00 -0.22 0.00 0.00 54.13 53.33 1cyl s LEU 96 Cb 0.00 -1.96 0.43 0.00 0.50 0.00 0.00 46.19 45.16 1cyl s LEU 96 CO 0.00 -0.44 1.21 0.59 -1.32 0.00 0.00 176.35 176.39 1cyl n ASN 97 N -1.34 1.95 -3.31 3.68 4.13 -1.26 -4.84 115.26 114.27 1cyl n ASN 97 Ca -0.01 -3.70 -0.25 0.00 1.68 0.00 0.00 54.58 52.30 1cyl n ASN 97 Cb 0.61 -0.49 -0.08 0.00 -1.54 0.00 0.00 39.78 38.28 1cyl n ASN 97 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 1cyl n SER 98 N -0.92 0.93 -3.33 6.41 2.88 -1.26 -5.00 113.62 113.33 1cyl n SER 98 Ca 0.20 -2.82 -0.25 0.00 -1.33 0.00 0.00 58.87 54.68 1cyl n SER 98 Cb 0.76 -0.64 -0.09 0.00 -0.75 0.00 0.00 64.21 63.49 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 0.10 -0.69 0.19 0.00 0.04 -1.26 -4.17 135.00 129.21 1cyl s PRO 100 Ca 0.33 0.18 0.08 0.00 0.04 0.00 0.00 61.00 61.63 1cyl s PRO 100 Cb 0.04 -1.64 -0.04 0.00 0.04 0.00 0.00 34.50 32.90 1cyl s PRO 100 CO -0.18 -3.41 -0.04 0.14 0.04 0.00 0.00 177.00 173.55 1cyl s VAL 101 N -2.95 3.45 -0.45 -0.36 -7.23 -1.26 -4.79 120.40 106.82 1cyl s VAL 101 Ca 0.69 -1.59 0.07 0.00 -1.81 0.00 0.00 61.98 59.34 1cyl s VAL 101 Cb -0.14 -2.74 0.26 0.00 0.56 0.00 0.00 36.38 34.32 1cyl s VAL 101 CO 0.57 -0.15 0.79 2.29 -0.31 0.00 0.00 175.10 178.29 1cyl n LYS 102 N -0.15 0.80 -3.69 4.82 2.85 -1.26 -5.08 118.16 116.44 1cyl n LYS 102 Ca -0.10 -2.34 -0.28 0.00 -1.05 0.00 0.00 58.31 54.54 1cyl n LYS 102 Cb 0.56 -1.36 -0.16 0.00 -0.65 0.00 0.00 35.03 33.42 1cyl n LYS 102 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 1cyl s GLU 103 N -0.17 0.50 0.37 -1.58 0.41 -1.26 -4.99 118.70 111.99 1cyl s GLU 103 Ca 0.32 -0.46 0.07 0.00 -0.41 0.00 0.00 54.97 54.49 1cyl s GLU 103 Cb 0.23 -1.94 0.73 0.00 -1.78 0.00 0.00 34.13 31.37 1cyl s GLU 103 CO -0.17 -0.74 1.92 0.00 -0.49 0.00 0.00 175.26 175.78 1cyl h ALA 104 N 8.27 1.48 -1.47 5.21 0.00 -1.98 -3.44 119.26 127.34 1cyl h ALA 104 Ca -0.16 -0.18 -0.47 0.00 0.00 0.00 0.00 54.91 54.10 1cyl h ALA 104 Cb 1.10 -0.12 0.24 0.00 0.00 0.00 0.00 17.79 19.01 1cyl h ALA 104 CO 0.36 0.37 -1.66 -1.71 0.00 0.00 0.00 179.25 176.60 1cyl n ASN 105 N -4.30 -2.66 -4.10 0.00 5.15 -1.26 -5.00 115.26 103.08 1cyl n ASN 105 Ca 0.00 -0.07 -0.19 0.00 -0.60 0.00 0.00 54.58 53.73 1cyl n ASN 105 Cb 0.23 -0.80 -0.13 0.00 -0.53 0.00 0.00 39.78 38.55 1cyl n ASN 105 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1cyl s GLN 106 N -2.92 0.82 0.35 1.20 -2.07 -1.26 -4.24 119.66 111.53 1cyl s GLN 106 Ca 0.49 -0.67 0.02 0.00 -1.82 0.00 0.00 55.36 53.38 1cyl s GLN 106 Cb -0.04 -0.78 -0.01 0.00 -1.09 0.00 0.00 33.01 31.09 1cyl s GLN 106 CO 0.66 0.19 0.06 0.45 -1.32 0.00 0.00 175.29 175.34 1cyl n SER 107 N 2.01 2.06 -4.40 12.60 2.88 -0.59 -4.71 113.62 123.49 1cyl n SER 107 Ca -0.18 -2.67 -0.32 0.00 -1.33 0.00 0.00 58.87 54.38 1cyl n SER 107 Cb 0.55 0.54 -0.14 0.00 -0.75 0.00 0.00 64.21 64.41 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 -2.56 2.57 0.26 2.46 2.01 -1.26 -1.59 115.64 117.53 1cyl s THR 108 Ca 0.08 -0.91 -0.03 0.00 0.31 0.00 0.00 61.69 61.14 1cyl s THR 108 Cb 0.00 -1.96 0.24 0.00 0.01 0.00 0.00 72.50 70.80 1cyl s THR 108 CO 0.06 0.58 1.71 0.25 -0.69 0.00 0.00 174.62 176.54 1cyl h LEU 109 N 5.41 0.23 -0.76 4.42 7.12 -1.84 0.50 115.31 130.39 1cyl h LEU 109 Ca -0.45 0.13 0.15 0.00 0.13 0.00 0.00 57.88 57.84 1cyl h LEU 109 Cb 1.14 0.12 -0.10 0.00 -0.53 0.00 0.00 40.66 41.29 1cyl h LEU 109 CO 0.49 0.05 0.26 -0.08 -0.13 0.00 0.00 178.44 179.03 1cyl h GLU 110 N 0.40 0.36 0.00 1.25 4.81 -1.90 0.42 114.58 119.92 1cyl h GLU 110 Ca 0.45 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.56 1cyl h GLU 110 Cb 0.74 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.02 1cyl h GLU 110 CO -0.46 0.24 -0.45 -0.97 -0.73 0.00 0.00 179.01 176.64 1cyl h ASN 111 N 0.37 0.00 -0.44 1.04 -0.73 -0.49 -1.63 115.58 113.70 1cyl h ASN 111 Ca 0.42 0.00 -0.12 0.00 1.87 0.00 0.00 56.30 58.48 1cyl h ASN 111 Cb 0.69 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.26 1cyl h ASN 111 CO -0.45 0.45 -0.16 0.15 -0.37 0.00 0.00 177.43 177.05 1cyl h PHE 112 N 0.00 1.05 -0.15 0.67 3.57 0.17 0.39 116.94 122.64 1cyl h PHE 112 Ca -0.00 -0.23 -0.16 0.00 3.53 0.00 0.00 57.97 61.11 1cyl h PHE 112 Cb 0.86 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 39.34 1cyl h PHE 112 CO 0.00 1.01 -0.59 -0.07 -2.23 0.00 0.00 178.31 176.43 1cyl h LEU 113 N 0.82 0.55 0.04 0.59 3.38 -0.98 0.16 115.31 119.86 1cyl h LEU 113 Ca 0.12 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 1cyl h LEU 113 Cb 0.70 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1cyl h LEU 113 CO 0.05 1.02 -0.02 -0.08 0.09 0.00 0.00 178.44 179.50 1cyl h GLU 114 N 0.36 -0.05 0.08 1.13 4.22 -0.97 -0.97 114.58 118.38 1cyl h GLU 114 Ca -0.00 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.44 1cyl h GLU 114 Cb 1.14 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1cyl h GLU 114 CO 0.11 0.46 -0.04 -0.09 -2.18 0.00 0.00 179.01 177.27 1cyl h ARG 115 N -0.59 -0.10 -0.97 1.92 9.65 -0.27 -1.87 114.38 122.15 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 0.53 0.02 -0.06 0.00 -1.39 0.00 0.00 29.97 29.08 1cyl h ARG 115 CO 0.01 0.13 0.64 1.25 2.80 0.00 0.00 179.97 184.80 1cyl h LEU 116 N -0.32 1.05 -0.44 3.80 5.85 -0.77 -2.26 115.31 122.22 1cyl h LEU 116 Ca -0.01 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.62 1cyl h LEU 116 Cb 0.28 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 1cyl h LEU 116 CO 0.02 0.71 -0.06 0.50 -0.34 0.00 0.00 178.44 179.27 1cyl h LYS 117 N 1.21 0.82 -0.42 1.25 3.64 -0.97 -2.64 116.57 119.46 1cyl h LYS 117 Ca 0.39 -0.29 -0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1cyl h LYS 117 Cb 0.04 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.78 1cyl h LYS 117 CO -0.13 0.91 0.25 1.15 -2.27 0.00 0.00 179.45 179.36 1cyl h THR 118 N 0.66 1.12 0.03 1.00 2.02 -0.80 -2.41 112.91 114.53 1cyl h THR 118 Ca 0.12 -0.28 -0.00 0.00 0.77 0.00 0.00 66.41 67.01 1cyl h THR 118 Cb 0.58 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 67.53 1cyl h THR 118 CO 0.03 0.13 -0.01 0.40 0.37 0.00 0.00 175.52 176.44 1cyl h ILE 119 N 0.57 1.33 -0.80 3.11 1.08 -1.19 -2.99 117.51 118.62 1cyl h ILE 119 Ca 0.15 -1.17 0.06 0.00 -0.39 0.00 0.00 64.86 63.51 1cyl h ILE 119 Cb -0.01 2.11 -0.05 0.00 -3.07 0.00 0.00 36.82 35.80 1cyl h ILE 119 CO -0.03 0.30 0.53 0.24 -0.69 0.00 0.00 178.15 178.49 1cyl h MET 120 N -0.55 0.86 -0.58 2.37 2.86 -1.28 -0.54 114.93 118.07 1cyl h MET 120 Ca -0.00 -0.05 -0.06 0.00 -2.06 0.00 0.00 59.70 57.53 1cyl h MET 120 Cb 0.51 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 31.95 1cyl h MET 120 CO 0.01 0.57 0.13 0.00 1.06 0.00 0.00 176.91 178.68 1cyl h ARG 121 N 0.89 0.91 -0.30 1.72 2.47 -1.45 -0.22 114.38 118.39 1cyl h ARG 121 Ca 0.34 -0.20 -0.16 0.00 -1.26 0.00 0.00 59.98 58.70 1cyl h ARG 121 Cb 0.21 -0.13 -0.00 0.00 -1.65 0.00 0.00 29.97 28.40 1cyl h ARG 121 CO -0.12 0.82 -0.45 0.93 0.56 0.00 0.00 179.97 181.71 1cyl h GLU 122 N 0.87 0.84 -0.31 0.04 5.08 -1.00 0.17 114.58 120.27 1cyl h GLU 122 Ca 0.19 -0.50 -0.18 0.00 -1.00 0.00 0.00 59.36 57.87 1cyl h GLU 122 Cb 0.33 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 1cyl h GLU 122 CO 0.00 1.13 -0.51 -0.22 -1.00 0.00 0.00 179.01 178.42 1cyl h LYS 123 N 0.62 0.89 0.00 2.33 1.63 -1.00 -2.99 116.57 118.05 1cyl h LYS 123 Ca 0.03 -0.54 -0.11 0.00 -0.85 0.00 0.00 60.65 59.18 1cyl h LYS 123 Cb 1.05 0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 32.72 1cyl h LYS 123 CO 0.10 1.18 -0.50 -0.92 -3.45 0.00 0.00 179.45 175.86 1cyl h TYR 124 N 0.69 0.00 -0.15 1.91 3.20 -1.04 -2.56 116.97 119.02 1cyl h TYR 124 Ca 0.03 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1cyl h TYR 124 Cb 1.11 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.38 1cyl h TYR 124 CO 0.07 0.50 0.00 0.45 -1.64 0.00 0.00 178.16 177.54 1cyl n SER 125 N -3.87 1.55 -2.00 -2.11 2.88 0.04 -3.83 113.62 106.27 1cyl n SER 125 Ca -0.01 -2.11 -0.25 0.00 -1.33 0.00 0.00 58.87 55.17 1cyl n SER 125 Cb 0.53 -0.34 0.06 0.00 -0.75 0.00 0.00 64.21 63.71 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 0.08 3.15 -2.40 -1.46 4.81 -0.97 -4.70 118.16 116.67 1cyl n LYS 126 Ca 0.06 -3.81 -0.25 0.00 -0.87 0.00 0.00 58.31 53.44 1cyl n LYS 126 Cb 0.32 -2.23 0.01 0.00 0.02 0.00 0.00 35.03 33.15 1cyl n LYS 126 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1cyl s SER 128 N -3.53 -0.06 0.00 0.00 0.15 -1.26 -5.05 113.70 103.95 1cyl s SER 128 Ca 0.47 -0.13 0.24 0.00 0.70 0.00 0.00 55.95 57.23 1cyl s SER 128 Cb 0.40 0.16 1.44 0.00 -1.71 0.00 0.00 66.02 66.31 1cyl s SER 128 CO -0.13 -0.29 1.80 -0.24 1.20 0.00 0.00 173.24 175.59