#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 0.56 0.06 -0.41 2.36 -1.26 -5.16 119.74 115.89 1cyl s LYS 2 Ca 0.00 0.83 0.06 0.00 -2.55 0.00 0.00 55.97 54.31 1cyl s LYS 2 Cb 0.00 0.17 -0.04 0.00 -1.05 0.00 0.00 37.83 36.91 1cyl s LYS 2 CO 0.00 -0.11 -0.11 0.00 1.55 0.00 0.00 175.35 176.67 1cyl s ASP 4 N -1.79 2.44 0.20 0.00 1.11 -1.26 -5.04 116.67 112.33 1cyl s ASP 4 Ca 0.18 -1.14 -0.03 0.00 0.18 0.00 0.00 52.55 51.74 1cyl s ASP 4 Cb -0.11 -0.11 0.13 0.00 1.07 0.00 0.00 42.92 43.90 1cyl s ASP 4 CO 0.10 -0.33 1.52 0.40 1.18 0.00 0.00 175.17 178.04 1cyl h ILE 5 N 2.43 1.31 -1.02 0.77 1.08 -2.03 -3.06 117.51 117.00 1cyl h ILE 5 Ca -0.39 -1.74 0.25 0.00 -0.39 0.00 0.00 64.86 62.60 1cyl h ILE 5 Cb 1.22 1.71 -0.09 0.00 -3.07 0.00 0.00 36.82 36.60 1cyl h ILE 5 CO 0.65 0.54 0.66 0.00 -0.69 0.00 0.00 178.15 179.31 1cyl h THR 6 N 0.45 0.56 -0.20 -0.27 1.03 -2.00 -1.13 112.91 111.35 1cyl h THR 6 Ca 0.02 -0.13 0.04 0.00 -0.01 0.00 0.00 66.41 66.33 1cyl h THR 6 Cb 1.04 0.14 -0.04 0.00 -1.07 0.00 0.00 68.15 68.22 1cyl h THR 6 CO 0.10 0.07 -0.06 0.25 -0.01 0.00 0.00 175.52 175.86 1cyl h LEU 7 N 0.39 -0.23 -2.01 0.00 6.46 -1.95 0.18 115.31 118.14 1cyl h LEU 7 Ca 0.56 0.07 0.15 0.00 -0.12 0.00 0.00 57.88 58.53 1cyl h LEU 7 Cb 1.45 0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 41.50 1cyl h LEU 7 CO -0.26 -0.09 0.38 0.06 -0.62 0.00 0.00 178.44 177.92 1cyl h GLN 8 N -0.02 0.00 -0.20 1.25 3.07 -1.38 0.27 115.11 118.08 1cyl h GLN 8 Ca 0.10 0.00 -0.10 0.00 0.09 0.00 0.00 58.65 58.74 1cyl h GLN 8 Cb 0.18 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.73 1cyl h GLN 8 CO -0.22 0.00 -0.27 0.93 0.09 0.00 0.00 178.83 179.37 1cyl h GLU 9 N 0.00 0.54 -0.47 0.06 5.08 -0.65 -1.29 114.58 117.84 1cyl h GLU 9 Ca 0.24 -0.31 -0.08 0.00 -1.00 0.00 0.00 59.36 58.20 1cyl h GLU 9 Cb 1.00 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.25 1cyl h GLU 9 CO -0.00 0.90 -0.05 0.82 -1.00 0.00 0.00 179.01 179.68 1cyl h ILE 10 N 0.21 1.25 0.00 3.13 5.03 0.33 -1.69 117.51 125.78 1cyl h ILE 10 Ca 0.02 -1.09 -0.10 0.00 -0.12 0.00 0.00 64.86 63.57 1cyl h ILE 10 Cb 0.84 0.94 -0.01 0.00 -3.03 0.00 0.00 36.82 35.55 1cyl h ILE 10 CO 0.06 0.38 -0.49 0.40 -0.68 0.00 0.00 178.15 177.82 1cyl h ILE 11 N 0.75 1.32 -0.38 -0.67 2.04 -1.28 -1.57 117.51 117.72 1cyl h ILE 11 Ca 0.14 -1.70 -0.08 0.00 1.00 0.00 0.00 64.86 64.22 1cyl h ILE 11 Cb 0.52 1.92 -0.01 0.00 -0.74 0.00 0.00 36.82 38.52 1cyl h ILE 11 CO 0.03 0.48 -0.07 0.50 0.00 0.00 0.00 178.15 179.09 1cyl h LYS 12 N 0.00 0.71 -0.09 2.37 3.64 -0.45 0.79 116.57 123.54 1cyl h LYS 12 Ca -0.00 -0.26 -0.05 0.00 -1.27 0.00 0.00 60.65 59.07 1cyl h LYS 12 Cb 0.88 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.66 1cyl h LYS 12 CO 0.06 0.85 -0.12 1.15 -2.27 0.00 0.00 179.45 179.12 1cyl h THR 13 N 0.52 1.38 0.00 1.00 2.02 -1.13 -2.58 112.91 114.12 1cyl h THR 13 Ca 0.10 -1.34 -0.04 0.00 0.77 0.00 0.00 66.41 65.90 1cyl h THR 13 Cb 0.57 2.06 -0.01 0.00 -1.74 0.00 0.00 68.15 69.04 1cyl h THR 13 CO 0.03 0.38 -0.17 -0.07 0.37 0.00 0.00 175.52 176.06 1cyl h LEU 14 N -0.20 0.00 -0.21 2.58 4.07 -1.30 -2.60 115.31 117.65 1cyl h LEU 14 Ca 0.01 0.00 -0.09 0.00 0.08 0.00 0.00 57.88 57.88 1cyl h LEU 14 Cb 0.67 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.40 1cyl h LEU 14 CO 0.03 0.17 -0.22 -1.13 -1.08 0.00 0.00 178.44 176.21 1cyl h ASN 15 N 0.00 0.56 0.01 -0.43 -0.73 -0.68 -1.59 115.58 112.71 1cyl h ASN 15 Ca -0.00 -0.48 -0.00 0.00 1.87 0.00 0.00 56.30 57.69 1cyl h ASN 15 Cb 0.33 -0.16 0.00 0.00 0.27 0.00 0.00 38.32 38.76 1cyl h ASN 15 CO 0.02 0.92 -0.00 0.28 -0.37 0.00 0.00 177.43 178.28 1cyl h SER 16 N 0.21 -0.01 0.01 1.15 0.02 -1.15 -0.98 113.55 112.79 1cyl h SER 16 Ca 0.03 -0.40 -0.00 0.00 -0.84 0.00 0.00 61.79 60.58 1cyl h SER 16 Cb 0.77 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.31 1cyl h SER 16 CO 0.05 0.40 -0.00 -0.07 -1.14 0.00 0.00 176.83 176.07 1cyl h LEU 17 N -0.42 -0.01 0.02 5.07 4.07 -1.55 -2.48 115.31 120.01 1cyl h LEU 17 Ca -0.00 -0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.96 1cyl h LEU 17 Cb 0.41 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.15 1cyl h LEU 17 CO 0.00 -0.01 -0.01 0.71 -1.08 0.00 0.00 178.44 178.06 1cyl h THR 18 N -0.01 1.14 -1.01 0.22 1.35 -1.34 -2.36 112.91 110.90 1cyl h THR 18 Ca -0.00 -0.48 0.29 0.00 -0.55 0.00 0.00 66.41 65.67 1cyl h THR 18 Cb 0.01 1.46 -0.04 0.00 -1.73 0.00 0.00 68.15 67.85 1cyl h THR 18 CO 0.00 0.12 0.74 -0.08 -0.25 0.00 0.00 175.52 176.06 1cyl h GLU 19 N -0.24 0.00 -2.41 4.72 4.81 -1.12 -3.35 114.58 116.99 1cyl h GLU 19 Ca -0.00 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 58.97 1cyl h GLU 19 Cb 0.23 0.00 -0.34 0.00 0.63 0.00 0.00 28.75 29.27 1cyl h GLU 19 CO 0.00 0.00 -0.57 -0.65 -0.73 0.00 0.00 179.01 177.06 1cyl s GLN 20 N -4.93 0.23 -0.40 1.92 -0.21 -0.90 -5.03 119.66 110.34 1cyl s GLN 20 Ca -0.05 0.37 0.07 0.00 0.02 0.00 0.00 55.36 55.77 1cyl s GLN 20 Cb 0.22 -0.84 0.32 0.00 1.00 0.00 0.00 33.01 33.71 1cyl s GLN 20 CO 0.77 -0.59 1.26 1.17 -2.12 0.00 0.00 175.29 175.77 1cyl n LYS 21 N 5.34 0.95 -0.23 2.91 4.81 -1.15 -4.49 118.16 126.28 1cyl n LYS 21 Ca -0.05 -1.62 0.12 0.00 -0.87 0.00 0.00 58.31 55.88 1cyl n LYS 21 Cb 0.50 -0.30 0.25 0.00 0.02 0.00 0.00 35.03 35.50 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 -0.27 0.62 -0.66 3.15 5.66 -1.26 -4.28 114.28 117.23 1cyl n THR 22 Ca -0.04 -0.79 0.09 0.00 -3.05 0.00 0.00 64.05 60.26 1cyl n THR 22 Cb 0.78 0.82 0.36 0.00 -1.55 0.00 0.00 70.33 70.74 1cyl n THR 22 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 1cyl n LEU 23 N 1.49 4.86 0.00 1.09 0.00 -1.26 -4.87 117.00 118.30 1cyl n LEU 23 Ca 0.21 -2.50 0.00 0.00 0.00 0.00 0.00 56.01 53.71 1cyl n LEU 23 Cb 0.60 -0.59 0.00 0.00 0.00 0.00 0.00 43.42 43.43 1cyl n LEU 23 CO 0.16 0.80 0.00 0.00 0.00 0.00 0.00 177.39 178.35 1cyl n THR 25 N 0.00 0.00 -2.20 0.00 -2.24 -1.26 -4.51 114.28 104.07 1cyl n THR 25 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1cyl n THR 25 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 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 0.00 -2.64 0.06 -0.78 4.71 -1.26 -4.65 120.64 116.08 1cyl n GLU 26 Ca 0.00 0.00 0.07 0.00 -0.01 0.00 0.00 57.16 57.22 1cyl n GLU 26 Cb 0.00 -4.14 -0.06 0.00 -1.01 0.00 0.00 31.44 26.24 1cyl n GLU 26 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1cyl n LEU 27 N -2.17 0.69 -1.35 -4.62 4.77 -1.26 -4.90 117.00 108.16 1cyl n LEU 27 Ca 0.00 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 1cyl n LEU 27 Cb 0.41 0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 1cyl n LEU 27 CO 0.00 -0.04 -0.27 0.35 -1.33 0.00 0.00 177.39 176.10 1cyl n THR 28 N -2.67 -8.17 -3.98 -5.08 -2.24 -1.26 -4.81 114.28 86.08 1cyl n THR 28 Ca -0.05 1.91 -0.09 0.00 -2.27 0.00 0.00 64.05 63.55 1cyl n THR 28 Cb 0.66 -3.88 -0.08 0.00 -2.10 0.00 0.00 70.33 64.93 1cyl n THR 28 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1cyl s VAL 29 N -0.40 0.10 -0.27 2.28 -7.23 -0.70 -4.71 120.40 109.47 1cyl s VAL 29 Ca 0.00 -1.45 -0.29 0.00 -1.81 0.00 0.00 61.98 58.43 1cyl s VAL 29 Cb 0.00 -1.73 -0.02 0.00 0.56 0.00 0.00 36.38 35.19 1cyl s VAL 29 CO 0.00 -0.45 1.55 -0.89 -0.31 0.00 0.00 175.10 174.99 1cyl s THR 30 N -3.95 3.78 -0.14 5.32 2.01 -1.26 -3.21 115.64 118.19 1cyl s THR 30 Ca 0.15 0.86 -0.03 0.00 0.31 0.00 0.00 61.69 62.98 1cyl s THR 30 Cb 0.05 -3.85 -0.03 0.00 0.01 0.00 0.00 72.50 68.67 1cyl s THR 30 CO -0.03 -0.40 -0.03 -1.81 -0.69 0.00 0.00 174.62 171.66 1cyl s ASP 31 N 4.13 4.89 -0.77 3.53 1.11 -1.26 -4.78 116.67 123.53 1cyl s ASP 31 Ca 0.68 -0.07 -0.02 0.00 0.18 0.00 0.00 52.55 53.32 1cyl s ASP 31 Cb -0.21 -1.70 0.39 0.00 1.07 0.00 0.00 42.92 42.47 1cyl s ASP 31 CO 0.29 0.21 2.03 -0.38 1.18 0.00 0.00 175.17 178.51 1cyl n ILE 32 N 3.24 3.62 -1.39 0.77 -0.00 -1.26 -4.48 119.36 119.85 1cyl n ILE 32 Ca -0.17 -3.72 0.06 0.00 -0.00 0.00 0.00 62.75 58.91 1cyl n ILE 32 Cb 0.53 -1.21 0.19 0.00 -0.00 0.00 0.00 39.64 39.15 1cyl n ILE 32 CO 0.00 0.00 0.00 0.49 -0.00 0.00 0.00 176.55 177.04 1cyl n PHE 33 N -0.70 0.24 -2.78 1.39 3.72 -1.26 -4.76 117.46 113.31 1cyl n PHE 33 Ca 0.58 -1.34 -0.10 0.00 -0.05 0.00 0.00 57.45 56.54 1cyl n PHE 33 Cb 0.41 -0.27 0.08 0.00 -0.94 0.00 0.00 39.48 38.76 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 -1.17 -0.28 0.00 4.37 0.00 -1.26 -4.96 120.51 117.20 1cyl n ALA 34 Ca 0.21 -1.69 0.00 0.00 0.00 0.00 0.00 53.44 51.95 1cyl n ALA 34 Cb 0.75 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 19.08 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 0.28 0.00 -3.68 0.00 0.00 -1.26 -4.74 120.51 111.11 1cyl n ALA 35 Ca 0.08 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.29 1cyl n ALA 35 Cb 0.71 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.20 1cyl n ALA 35 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1cyl n SER 36 N 0.00 -2.44 -0.20 0.00 2.88 -1.26 -4.83 113.62 107.77 1cyl n SER 36 Ca 0.00 -0.75 0.03 0.00 -1.33 0.00 0.00 58.87 56.82 1cyl n SER 36 Cb 0.00 -4.31 0.11 0.00 -0.75 0.00 0.00 64.21 59.26 1cyl n SER 36 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1cyl n LYS 37 N -4.39 1.25 0.07 -1.46 4.81 -1.26 -3.80 118.16 113.38 1cyl n LYS 37 Ca -0.21 -0.39 0.07 0.00 -0.87 0.00 0.00 58.31 56.91 1cyl n LYS 37 Cb 0.64 -1.12 0.31 0.00 0.02 0.00 0.00 35.03 34.88 1cyl n LYS 37 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1cyl n ASN 38 N -0.21 0.27 -3.81 3.14 2.85 -1.26 -4.73 115.26 111.50 1cyl n ASN 38 Ca 0.05 0.60 -0.24 0.00 -0.11 0.00 0.00 54.58 54.88 1cyl n ASN 38 Cb 0.10 -0.65 0.16 0.00 1.24 0.00 0.00 39.78 40.63 1cyl n ASN 38 CO 0.00 0.00 0.00 1.07 -2.11 0.00 0.00 177.26 176.22 1cyl n THR 39 N -1.84 0.00 -1.73 -0.44 5.66 -1.25 -4.83 114.28 109.85 1cyl n THR 39 Ca 0.01 -0.12 -0.38 0.00 -3.05 0.00 0.00 64.05 60.51 1cyl n THR 39 Cb 0.08 -0.54 0.05 0.00 -1.55 0.00 0.00 70.33 68.38 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 -4.47 4.22 -0.36 1.09 -2.24 -1.26 -4.87 114.28 106.38 1cyl n THR 40 Ca 0.04 -0.50 0.03 0.00 -2.27 0.00 0.00 64.05 61.36 1cyl n THR 40 Cb 0.47 -1.59 0.19 0.00 -2.10 0.00 0.00 70.33 67.31 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 1.09 1.10 -0.68 -0.78 4.39 -1.90 0.42 114.58 118.22 1cyl h GLU 41 Ca -0.51 -0.07 0.13 0.00 0.34 0.00 0.00 59.36 59.26 1cyl h GLU 41 Cb 1.32 -0.25 -0.04 0.00 -0.10 0.00 0.00 28.75 29.68 1cyl h GLU 41 CO 0.55 0.73 0.46 1.57 -1.16 0.00 0.00 179.01 181.16 1cyl h LYS 42 N 1.13 0.35 -0.47 2.33 2.10 -1.92 -0.29 116.57 119.80 1cyl h LYS 42 Ca 0.43 -0.02 -0.05 0.00 -2.00 0.00 0.00 60.65 59.01 1cyl h LYS 42 Cb 0.21 -0.08 -0.02 0.00 -0.90 0.00 0.00 32.23 31.44 1cyl h LYS 42 CO -0.18 0.23 0.10 1.49 -2.00 0.00 0.00 179.45 179.09 1cyl h GLU 43 N 0.36 0.76 0.00 0.07 4.22 -1.25 -1.43 114.58 117.32 1cyl h GLU 43 Ca 0.32 -0.19 -0.01 0.00 0.08 0.00 0.00 59.36 59.57 1cyl h GLU 43 Cb 0.77 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.93 1cyl h GLU 43 CO -0.09 0.76 -0.03 0.00 -2.18 0.00 0.00 179.01 177.47 1cyl h THR 44 N 0.64 0.89 -0.01 0.32 1.03 -0.99 0.44 112.91 115.23 1cyl h THR 44 Ca 0.15 -0.10 -0.12 0.00 -0.01 0.00 0.00 66.41 66.32 1cyl h THR 44 Cb 0.35 1.06 -0.02 0.00 -1.07 0.00 0.00 68.15 68.47 1cyl h THR 44 CO 0.00 0.03 -0.55 -0.26 -0.01 0.00 0.00 175.52 174.73 1cyl h PHE 45 N 0.00 0.03 0.10 0.00 0.04 -0.76 0.13 116.94 116.48 1cyl h PHE 45 Ca -0.00 -0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.75 1cyl h PHE 45 Cb 0.06 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.20 1cyl h PHE 45 CO 0.00 0.57 -0.05 0.00 -0.60 0.00 0.00 178.31 178.23 1cyl h ARG 47 N -0.65 0.04 -0.33 0.00 9.65 -1.54 -2.76 114.38 118.79 1cyl h ARG 47 Ca -0.01 -0.03 0.07 0.00 -1.10 0.00 0.00 59.98 58.91 1cyl h ARG 47 Cb 0.52 0.00 -0.07 0.00 -1.39 0.00 0.00 29.97 29.03 1cyl h ARG 47 CO 0.02 0.62 -0.10 0.00 2.80 0.00 0.00 179.97 183.30 1cyl h ALA 48 N 0.43 0.18 -0.14 2.80 0.00 -0.84 0.33 119.26 122.02 1cyl h ALA 48 Ca 0.00 0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.08 1cyl h ALA 48 Cb 0.62 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1cyl h ALA 48 CO 0.01 -0.48 0.10 0.00 0.00 0.00 0.00 179.25 178.87 1cyl h ALA 49 N 1.27 2.10 -0.33 0.00 0.00 -1.23 0.57 119.26 121.65 1cyl h ALA 49 Ca 0.16 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.92 1cyl h ALA 49 Cb 0.28 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1cyl h ALA 49 CO -0.36 -0.17 -0.38 1.15 0.00 0.00 0.00 179.25 179.49 1cyl h THR 50 N 0.00 1.28 0.11 0.00 2.02 -0.11 0.28 112.91 116.50 1cyl h THR 50 Ca 0.07 -1.55 -0.01 0.00 0.77 0.00 0.00 66.41 65.69 1cyl h THR 50 Cb 0.27 1.44 0.00 0.00 -1.74 0.00 0.00 68.15 68.12 1cyl h THR 50 CO -0.00 0.51 -0.05 0.58 0.37 0.00 0.00 175.52 176.92 1cyl h VAL 51 N 0.64 1.10 0.00 3.16 2.07 0.42 -1.69 116.25 121.95 1cyl h VAL 51 Ca 0.06 -1.03 -0.00 0.00 0.82 0.00 0.00 66.70 66.54 1cyl h VAL 51 Cb 0.93 1.73 -0.00 0.00 -1.52 0.00 0.00 31.29 32.44 1cyl h VAL 51 CO 0.09 0.24 -0.01 0.17 0.02 0.00 0.00 177.57 178.08 1cyl h LEU 52 N -0.65 0.00 0.03 2.57 8.10 -1.32 -0.46 115.31 123.58 1cyl h LEU 52 Ca -0.01 0.00 0.01 0.00 0.11 0.00 0.00 57.88 57.98 1cyl h LEU 52 Cb 0.51 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.72 1cyl h LEU 52 CO 0.02 0.01 -0.06 -0.09 -4.11 0.00 0.00 178.44 174.21 1cyl h ARG 53 N 0.00 -0.11 0.00 0.17 2.43 -0.54 -2.56 114.38 113.77 1cyl h ARG 53 Ca -0.00 0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.08 1cyl h ARG 53 Cb 0.01 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 1cyl h ARG 53 CO 0.00 -0.08 -0.46 1.96 -1.51 0.00 0.00 179.97 179.88 1cyl h GLN 54 N -0.12 0.00 0.17 0.20 1.08 -0.31 -3.28 115.11 112.85 1cyl h GLN 54 Ca 0.02 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.21 1cyl h GLN 54 Cb 0.13 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.56 1cyl h GLN 54 CO -0.04 0.46 -0.08 0.35 -0.95 0.00 0.00 178.83 178.57 1cyl h PHE 55 N 0.00 -0.21 -0.35 2.96 3.57 -0.71 -1.82 116.94 120.38 1cyl h PHE 55 Ca -0.00 -0.01 -0.17 0.00 3.53 0.00 0.00 57.97 61.32 1cyl h PHE 55 Cb 0.92 0.07 -0.00 0.00 2.79 0.00 0.00 35.95 39.73 1cyl h PHE 55 CO 0.00 -0.01 -0.44 0.10 -2.23 0.00 0.00 178.31 175.73 1cyl h TYR 56 N -0.39 1.10 0.03 0.41 -0.00 -1.65 -1.75 116.97 114.72 1cyl h TYR 56 Ca -0.02 -0.35 -0.00 0.00 0.00 0.00 0.00 58.73 58.35 1cyl h TYR 56 Cb 0.30 -0.22 0.00 0.00 0.00 0.00 0.00 36.73 36.81 1cyl h TYR 56 CO -0.02 1.18 -0.01 0.77 -0.00 0.00 0.00 178.16 180.08 1cyl h SER 57 N 0.72 -0.03 -0.12 0.10 0.02 -1.61 -0.86 113.55 111.77 1cyl h SER 57 Ca 0.04 -0.16 -0.08 0.00 -0.84 0.00 0.00 61.79 60.76 1cyl h SER 57 Cb 1.04 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.59 1cyl h SER 57 CO 0.10 0.14 -0.23 -0.74 -1.14 0.00 0.00 176.83 174.96 1cyl h HIS 58 N -0.20 0.46 0.00 3.45 2.76 -1.39 -3.27 115.15 116.96 1cyl h HIS 58 Ca -0.00 -0.17 -0.10 0.00 -2.20 0.00 0.00 60.37 57.90 1cyl h HIS 58 Cb 0.18 -0.09 -0.01 0.00 1.55 0.00 0.00 27.41 29.04 1cyl h HIS 58 CO -0.02 0.84 -0.47 0.45 -1.30 0.00 0.00 177.93 177.43 1cyl h HIS 59 N -0.05 0.00 -0.49 5.26 3.86 -1.37 -3.30 115.15 119.05 1cyl h HIS 59 Ca 0.01 0.00 0.12 0.00 -1.16 0.00 0.00 60.37 59.34 1cyl h HIS 59 Cb 0.82 0.00 -0.09 0.00 1.06 0.00 0.00 27.41 29.19 1cyl h HIS 59 CO 0.10 0.47 -0.05 0.39 0.86 0.00 0.00 177.93 179.71 1cyl n GLU 60 N -3.85 -0.04 -3.60 2.45 1.02 -0.33 -3.08 120.64 113.21 1cyl n GLU 60 Ca -0.01 0.75 -0.29 0.00 -0.02 0.00 0.00 57.16 57.59 1cyl n GLU 60 Cb 0.51 -1.17 -0.15 0.00 -0.02 0.00 0.00 31.44 30.61 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 -5.45 0.34 0.00 3.49 1.02 -1.24 -4.92 119.74 112.97 1cyl s LYS 61 Ca -0.07 -0.66 0.00 0.00 0.02 0.00 0.00 55.97 55.27 1cyl s LYS 61 Cb 0.14 -1.43 0.00 0.00 -0.52 0.00 0.00 37.83 36.02 1cyl s LYS 61 CO 0.39 -0.99 0.47 -3.47 -0.92 0.00 0.00 175.35 170.83 1cyl n ASP 62 N 5.14 0.00 -2.44 2.83 -0.08 -1.18 -4.97 116.55 115.85 1cyl n ASP 62 Ca -0.05 -1.00 -0.00 0.00 -1.51 0.00 0.00 54.79 52.22 1cyl n ASP 62 Cb 0.42 -0.00 -0.00 0.00 2.34 0.00 0.00 41.12 43.88 1cyl n ASP 62 CO 0.00 0.00 0.00 1.07 0.12 0.00 0.00 177.20 178.39 1cyl n THR 63 N 0.00 0.00 0.00 5.18 5.66 -1.26 -4.82 114.28 119.04 1cyl n THR 63 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1cyl n THR 63 Cb 0.50 -0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.28 1cyl n THR 63 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1cyl n ARG 64 N -2.42 0.00 -0.48 1.09 5.12 -1.26 -4.22 116.66 114.49 1cyl n ARG 64 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1cyl n ARG 64 Cb 0.48 -0.19 0.18 0.00 -1.16 0.00 0.00 32.46 31.77 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 -1.42 4.73 0.04 0.00 1.02 -1.26 -4.76 118.68 117.04 1cyl s LEU 66 Ca 0.27 -1.06 -0.34 0.00 0.02 0.00 0.00 54.13 53.03 1cyl s LEU 66 Cb 0.21 -2.42 -0.19 0.00 0.02 0.00 0.00 46.19 43.81 1cyl s LEU 66 CO 0.07 -1.26 1.39 1.23 0.02 0.00 0.00 176.35 177.80 1cyl h GLY 67 N 10.71 -1.26 0.00 -3.19 0.00 -1.87 -3.47 103.07 103.99 1cyl h GLY 67 Ca -0.29 0.47 0.00 0.00 0.00 0.00 0.00 47.33 47.51 1cyl h GLY 67 CO 1.13 -0.46 0.00 0.00 0.00 0.00 0.00 176.54 177.21 1cyl n ALA 68 N -2.69 0.00 -1.43 3.60 0.00 -1.26 -5.08 120.51 113.64 1cyl n ALA 68 Ca -0.15 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 52.84 1cyl n ALA 68 Cb 0.48 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.91 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 0.00 1.69 -0.12 0.00 -1.04 -1.26 -4.66 114.28 108.88 1cyl n THR 69 Ca 0.00 -0.50 0.27 0.00 -2.04 0.00 0.00 64.05 61.78 1cyl n THR 69 Cb 0.00 -0.32 0.69 0.00 -1.82 0.00 0.00 70.33 68.88 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 1.00 2.66 0.04 2.41 0.00 -2.00 0.69 119.26 124.05 1cyl h ALA 70 Ca -0.35 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 1cyl h ALA 70 Cb 1.41 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.26 1cyl h ALA 70 CO 0.54 -1.16 -0.02 0.37 0.00 0.00 0.00 179.25 178.98 1cyl h GLN 71 N 0.00 -0.05 -0.93 0.00 5.75 -2.00 -1.14 115.11 116.74 1cyl h GLN 71 Ca 0.39 0.00 0.22 0.00 -0.15 0.00 0.00 58.65 59.11 1cyl h GLN 71 Cb 1.87 0.01 -0.07 0.00 1.07 0.00 0.00 27.48 30.36 1cyl h GLN 71 CO -0.00 0.06 0.62 0.37 -2.65 0.00 0.00 178.83 177.23 1cyl h GLN 72 N -0.14 0.35 -0.32 1.69 -0.00 0.12 0.46 115.11 117.27 1cyl h GLN 72 Ca -0.00 -0.02 -0.15 0.00 -0.00 0.00 0.00 58.65 58.48 1cyl h GLN 72 Cb 0.13 -0.08 -0.00 0.00 0.00 0.00 0.00 27.48 27.53 1cyl h GLN 72 CO 0.01 0.23 -0.38 0.35 0.00 0.00 0.00 178.83 179.04 1cyl h PHE 73 N 0.36 0.99 -0.44 3.99 3.57 -0.95 -2.40 116.94 122.06 1cyl h PHE 73 Ca 0.49 -0.31 -0.13 0.00 3.53 0.00 0.00 57.97 61.54 1cyl h PHE 73 Cb 1.30 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.83 1cyl h PHE 73 CO -0.00 1.11 -0.25 1.25 -2.23 0.00 0.00 178.31 178.19 1cyl h HIS 74 N 0.59 1.10 -0.35 0.41 2.76 0.08 -1.77 115.15 117.97 1cyl h HIS 74 Ca 0.04 -0.28 -0.12 0.00 -2.20 0.00 0.00 60.37 57.81 1cyl h HIS 74 Cb 0.97 -0.25 -0.01 0.00 1.55 0.00 0.00 27.41 29.67 1cyl h HIS 74 CO 0.07 1.10 -0.26 -0.09 -1.30 0.00 0.00 177.93 177.45 1cyl h ARG 75 N 0.78 0.70 -0.19 5.26 2.43 -1.36 -0.53 114.38 121.48 1cyl h ARG 75 Ca 0.09 -0.29 -0.09 0.00 -0.81 0.00 0.00 59.98 58.88 1cyl h ARG 75 Cb 0.83 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.35 1cyl h ARG 75 CO 0.07 0.89 -0.22 1.25 -1.51 0.00 0.00 179.97 180.46 1cyl h HIS 76 N 0.61 0.59 0.00 2.20 2.76 -1.32 -2.72 115.15 117.27 1cyl h HIS 76 Ca 0.08 -0.18 -0.10 0.00 -2.20 0.00 0.00 60.37 57.96 1cyl h HIS 76 Cb 0.76 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 29.58 1cyl h HIS 76 CO 0.04 0.86 -0.49 0.87 -1.30 0.00 0.00 177.93 177.91 1cyl h LYS 77 N 0.15 0.00 -0.02 5.26 1.57 -1.25 -1.93 116.57 120.36 1cyl h LYS 77 Ca 0.03 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1cyl h LYS 77 Cb 0.77 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.08 1cyl h LYS 77 CO 0.05 0.49 -0.02 0.37 -0.57 0.00 0.00 179.45 179.77 1cyl h GLN 78 N 0.00 0.04 -0.17 3.15 4.15 -1.04 0.09 115.11 121.34 1cyl h GLN 78 Ca -0.00 -0.02 -0.08 0.00 0.77 0.00 0.00 58.65 59.31 1cyl h GLN 78 Cb 0.89 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.58 1cyl h GLN 78 CO 0.06 0.54 -0.22 -0.07 -1.93 0.00 0.00 178.83 177.21 1cyl h LEU 79 N -0.45 0.48 -1.37 -2.39 4.07 -1.51 -1.88 115.31 112.25 1cyl h LEU 79 Ca 0.00 -0.51 -0.04 0.00 0.08 0.00 0.00 57.88 57.41 1cyl h LEU 79 Cb 0.53 -0.14 -0.02 0.00 1.08 0.00 0.00 40.66 42.12 1cyl h LEU 79 CO 0.00 0.90 0.00 0.40 -1.08 0.00 0.00 178.44 178.66 1cyl h ILE 80 N 0.08 1.17 0.06 1.22 5.03 -1.43 0.94 117.51 124.58 1cyl h ILE 80 Ca 0.02 -0.66 -0.00 0.00 -0.12 0.00 0.00 64.86 64.10 1cyl h ILE 80 Cb 0.78 0.96 0.00 0.00 -3.03 0.00 0.00 36.82 35.54 1cyl h ILE 80 CO 0.05 0.22 -0.03 -0.09 -0.68 0.00 0.00 178.15 177.63 1cyl h ARG 81 N 0.40 -0.08 0.00 2.37 9.65 -0.80 -0.96 114.38 124.97 1cyl h ARG 81 Ca 0.09 0.01 -0.06 0.00 -1.10 0.00 0.00 59.98 58.92 1cyl h ARG 81 Cb 0.27 0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.86 1cyl h ARG 81 CO 0.01 0.18 -0.26 0.74 2.80 0.00 0.00 179.97 183.43 1cyl h PHE 82 N -0.33 0.00 -0.79 2.20 0.04 -0.94 -2.22 116.94 114.89 1cyl h PHE 82 Ca -0.01 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.72 1cyl h PHE 82 Cb 0.29 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.41 1cyl h PHE 82 CO 0.01 0.26 0.33 -0.07 -0.60 0.00 0.00 178.31 178.25 1cyl h LEU 83 N 0.00 1.07 -0.21 1.54 3.38 0.17 -0.52 115.31 120.73 1cyl h LEU 83 Ca -0.00 -0.15 -0.12 0.00 0.09 0.00 0.00 57.88 57.70 1cyl h LEU 83 Cb 0.54 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 1cyl h LEU 83 CO 0.03 0.93 -0.32 0.50 0.09 0.00 0.00 178.44 179.68 1cyl h LYS 84 N 1.14 0.60 -0.49 1.13 3.64 -0.64 -2.33 116.57 119.62 1cyl h LYS 84 Ca 0.27 -0.35 0.09 0.00 -1.27 0.00 0.00 60.65 59.38 1cyl h LYS 84 Cb 0.19 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.01 1cyl h LYS 84 CO -0.03 0.96 0.33 -0.09 -2.27 0.00 0.00 179.45 178.36 1cyl h ARG 85 N 0.28 0.24 -0.19 1.90 1.12 -0.98 0.23 114.38 117.00 1cyl h ARG 85 Ca 0.02 -0.01 -0.13 0.00 -1.11 0.00 0.00 59.98 58.75 1cyl h ARG 85 Cb 0.90 -0.06 -0.01 0.00 -0.01 0.00 0.00 29.97 30.80 1cyl h ARG 85 CO 0.07 0.16 -0.43 1.25 -3.11 0.00 0.00 179.97 177.92 1cyl h LEU 86 N 0.25 0.47 -0.19 3.80 5.85 -0.69 -2.26 115.31 122.54 1cyl h LEU 86 Ca 0.22 -0.21 -0.07 0.00 0.84 0.00 0.00 57.88 58.66 1cyl h LEU 86 Cb 0.56 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.45 1cyl h LEU 86 CO -0.04 0.84 -0.15 -0.78 -0.34 0.00 0.00 178.44 177.97 1cyl h ASP 87 N 0.36 0.45 -0.25 1.25 3.58 -0.04 -1.02 116.42 120.76 1cyl h ASP 87 Ca 0.03 -0.45 -0.04 0.00 0.42 0.00 0.00 57.03 56.99 1cyl h ASP 87 Cb 0.90 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.82 1cyl h ASP 87 CO 0.08 0.81 0.01 -0.09 -2.88 0.00 0.00 179.24 177.17 1cyl h ARG 88 N 0.10 0.44 -0.25 0.28 1.12 -1.37 -3.23 114.38 111.47 1cyl h ARG 88 Ca 0.03 -0.13 -0.13 0.00 -1.11 0.00 0.00 59.98 58.65 1cyl h ARG 88 Cb 0.67 -0.04 -0.00 0.00 -0.01 0.00 0.00 29.97 30.58 1cyl h ARG 88 CO 0.04 0.59 -0.34 -0.91 -3.11 0.00 0.00 179.97 176.24 1cyl h ASN 89 N 0.22 0.74 -0.92 -3.80 4.21 -1.46 -3.10 115.58 111.47 1cyl h ASN 89 Ca 0.07 -0.50 0.26 0.00 1.21 0.00 0.00 56.30 57.34 1cyl h ASN 89 Cb 0.39 -0.21 -0.04 0.00 -1.12 0.00 0.00 38.32 37.34 1cyl h ASN 89 CO 0.01 1.09 0.66 -0.07 -1.29 0.00 0.00 177.43 177.83 1cyl h LEU 90 N 0.40 0.02 -0.47 1.61 3.38 -1.21 0.17 115.31 119.21 1cyl h LEU 90 Ca 0.03 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.84 1cyl h LEU 90 Cb 0.92 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.66 1cyl h LEU 90 CO 0.08 0.01 -0.51 -0.50 0.09 0.00 0.00 178.44 177.60 1cyl h TRP 91 N 0.02 0.84 0.02 1.13 -0.00 -1.56 -0.70 115.95 115.70 1cyl h TRP 91 Ca 0.44 -0.29 -0.00 0.00 -0.00 0.00 0.00 58.89 59.04 1cyl h TRP 91 Cb 1.73 -0.16 0.00 0.00 -0.00 0.00 0.00 29.16 30.73 1cyl h TRP 91 CO -0.00 1.05 -0.01 0.78 -0.00 0.00 0.00 178.44 180.26 1cyl h GLY 92 N 0.94 -0.03 1.26 1.49 0.00 -0.78 -2.08 103.07 103.87 1cyl h GLY 92 Ca 0.02 0.01 -0.02 0.00 0.00 0.00 0.00 47.33 47.34 1cyl h GLY 92 CO 0.10 -0.01 0.36 -2.00 0.00 0.00 0.00 176.54 174.99 1cyl h LEU 93 N -0.60 0.87 0.00 3.11 6.46 -1.40 -3.26 115.31 120.48 1cyl h LEU 93 Ca -0.00 -0.08 0.00 0.00 -0.12 0.00 0.00 57.88 57.68 1cyl h LEU 93 Cb 0.57 -0.22 0.00 0.00 -0.73 0.00 0.00 40.66 40.28 1cyl h LEU 93 CO 0.00 0.72 0.00 0.00 -0.62 0.00 0.00 178.44 178.54 1cyl n ALA 94 N -2.44 -0.25 0.00 1.25 0.00 -0.27 -4.98 120.51 113.83 1cyl n ALA 94 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1cyl n ALA 94 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.56 1cyl n ALA 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cyl n GLY 95 N 0.43 0.95 3.75 0.00 0.00 -0.78 -4.94 105.19 104.59 1cyl n GLY 95 Ca 0.00 -0.10 -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 3.22 -0.34 0.99 2.96 -1.26 -5.03 118.68 119.22 1cyl s LEU 96 Ca 0.00 -0.88 0.15 0.00 -0.22 0.00 0.00 54.13 53.18 1cyl s LEU 96 Cb 0.00 -1.67 0.44 0.00 0.50 0.00 0.00 46.19 45.46 1cyl s LEU 96 CO 0.00 -0.44 1.05 -3.20 -1.32 0.00 0.00 176.35 172.45 1cyl n ASN 97 N -1.23 0.53 0.00 3.68 2.85 -1.26 -4.89 115.26 114.94 1cyl n ASN 97 Ca -0.01 -2.66 0.00 0.00 -0.11 0.00 0.00 54.58 51.80 1cyl n ASN 97 Cb 0.63 -0.11 0.00 0.00 1.24 0.00 0.00 39.78 41.53 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 -0.19 0.00 -1.04 1.20 2.88 -1.26 -5.17 113.62 110.04 1cyl n SER 98 Ca 0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 1cyl n SER 98 Cb 0.82 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.28 1cyl n SER 98 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1cyl n PRO 100 N -0.41 0.44 0.00 0.00 -0.04 -1.26 -4.94 135.00 128.79 1cyl n PRO 100 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1cyl n PRO 100 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1cyl n PRO 100 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1cyl n VAL 101 N -1.13 0.00 -1.67 0.52 0.31 -1.26 -4.33 118.33 110.77 1cyl n VAL 101 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.32 1cyl n VAL 101 Cb 0.00 -0.02 0.00 0.00 -0.91 0.00 0.00 33.84 32.92 1cyl n VAL 101 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1cyl n LYS 102 N -0.13 -0.29 -3.50 5.55 3.00 -1.26 -4.96 118.16 116.57 1cyl n LYS 102 Ca 0.00 0.70 -0.08 0.00 -0.00 0.00 0.00 58.31 58.93 1cyl n LYS 102 Cb 0.00 -2.03 -0.08 0.00 0.00 0.00 0.00 35.03 32.92 1cyl n LYS 102 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 1cyl s GLU 103 N -1.34 0.35 -0.06 1.64 2.56 -1.26 -4.83 118.70 115.76 1cyl s GLU 103 Ca 0.03 0.82 -0.07 0.00 0.00 0.00 0.00 54.97 55.74 1cyl s GLU 103 Cb -0.01 -0.01 -0.02 0.00 2.00 0.00 0.00 34.13 36.09 1cyl s GLU 103 CO 0.10 -0.44 -0.14 0.00 -0.56 0.00 0.00 175.26 174.21 1cyl n ALA 104 N 5.38 1.24 -1.00 6.30 0.00 -1.26 -5.02 120.51 126.15 1cyl n ALA 104 Ca -0.06 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 52.97 1cyl n ALA 104 Cb 0.50 0.05 0.00 0.00 0.00 0.00 0.00 19.45 20.00 1cyl n ALA 104 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1cyl n ASN 105 N -3.47 -1.70 -1.78 0.00 6.94 -1.26 -5.07 115.26 108.91 1cyl n ASN 105 Ca -0.06 0.00 -0.06 0.00 -0.02 0.00 0.00 54.58 54.45 1cyl n ASN 105 Cb 0.21 0.00 -0.01 0.00 -2.36 0.00 0.00 39.78 37.62 1cyl n ASN 105 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1cyl n GLN 106 N -1.70 0.30 -2.97 -3.83 -0.00 -1.26 -4.69 117.38 103.23 1cyl n GLN 106 Ca 0.00 -1.09 -0.06 0.00 -0.00 0.00 0.00 57.00 55.85 1cyl n GLN 106 Cb 0.00 1.08 0.02 0.00 -0.00 0.00 0.00 30.24 31.34 1cyl n GLN 106 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 1cyl n SER 107 N -1.86 -1.59 -4.89 2.61 3.41 -1.20 -4.87 113.62 105.24 1cyl n SER 107 Ca -0.00 -2.08 -0.33 0.00 -0.26 0.00 0.00 58.87 56.19 1cyl n SER 107 Cb 0.23 2.65 -0.05 0.00 -0.26 0.00 0.00 64.21 66.78 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 -2.35 5.25 0.25 6.66 -4.23 -1.26 -1.72 115.64 118.24 1cyl s THR 108 Ca 0.12 0.11 -0.04 0.00 -1.18 0.00 0.00 61.69 60.69 1cyl s THR 108 Cb -0.03 -3.60 0.23 0.00 1.34 0.00 0.00 72.50 70.44 1cyl s THR 108 CO 0.08 0.25 1.70 0.25 -0.54 0.00 0.00 174.62 176.36 1cyl h LEU 109 N 3.56 0.11 -0.80 4.79 7.12 -1.87 0.47 115.31 128.70 1cyl h LEU 109 Ca -0.48 0.14 0.17 0.00 0.13 0.00 0.00 57.88 57.83 1cyl h LEU 109 Cb 1.18 0.16 -0.11 0.00 -0.53 0.00 0.00 40.66 41.37 1cyl h LEU 109 CO 0.69 0.00 0.31 -0.08 -0.13 0.00 0.00 178.44 179.23 1cyl h GLU 110 N 0.33 0.40 0.00 1.25 4.22 -1.93 0.54 114.58 119.39 1cyl h GLU 110 Ca 0.43 -0.02 -0.09 0.00 0.08 0.00 0.00 59.36 59.75 1cyl h GLU 110 Cb 0.72 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 1cyl h GLU 110 CO -0.48 0.26 -0.45 -0.97 -2.18 0.00 0.00 179.01 175.19 1cyl h ASN 111 N 0.41 0.00 -0.45 1.04 -1.24 -0.52 -2.03 115.58 112.79 1cyl h ASN 111 Ca 0.46 0.00 -0.09 0.00 0.71 0.00 0.00 56.30 57.37 1cyl h ASN 111 Cb 0.76 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.79 1cyl h ASN 111 CO -0.46 0.45 -0.05 0.15 -1.29 0.00 0.00 177.43 176.23 1cyl h PHE 112 N 0.00 0.97 -0.19 0.67 3.57 0.17 0.40 116.94 122.53 1cyl h PHE 112 Ca -0.00 -0.17 -0.17 0.00 3.53 0.00 0.00 57.97 61.15 1cyl h PHE 112 Cb 0.85 -0.25 -0.00 0.00 2.79 0.00 0.00 35.95 39.34 1cyl h PHE 112 CO 0.00 0.91 -0.59 -0.07 -2.23 0.00 0.00 178.31 176.33 1cyl h LEU 113 N 0.81 0.70 0.02 0.59 3.38 -0.96 0.12 115.31 119.97 1cyl h LEU 113 Ca 0.14 -0.39 -0.00 0.00 0.09 0.00 0.00 57.88 57.72 1cyl h LEU 113 Cb 0.56 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1cyl h LEU 113 CO 0.03 1.13 -0.01 -0.08 0.09 0.00 0.00 178.44 179.60 1cyl h GLU 114 N 0.46 -0.02 0.08 1.13 4.22 -1.00 -1.66 114.58 117.79 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 1.16 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1cyl h GLU 114 CO 0.11 0.49 -0.04 -0.09 -2.18 0.00 0.00 179.01 177.30 1cyl h ARG 115 N -0.55 -0.11 -0.56 1.92 1.12 -0.25 -0.35 114.38 115.60 1cyl h ARG 115 Ca -0.00 0.01 0.09 0.00 -1.11 0.00 0.00 59.98 58.97 1cyl h ARG 115 Cb 0.53 0.02 -0.07 0.00 -0.01 0.00 0.00 29.97 30.44 1cyl h ARG 115 CO 0.00 0.07 0.16 1.25 -3.11 0.00 0.00 179.97 178.34 1cyl h LEU 116 N -0.27 0.09 -1.38 3.80 5.85 -0.82 0.87 115.31 123.46 1cyl h LEU 116 Ca -0.01 0.09 -0.06 0.00 0.84 0.00 0.00 57.88 58.73 1cyl h LEU 116 Cb 0.22 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 1cyl h LEU 116 CO 0.02 0.07 -0.31 0.50 -0.34 0.00 0.00 178.44 178.38 1cyl h LYS 117 N 0.31 0.00 -0.69 1.25 3.64 -1.01 -2.75 116.57 117.32 1cyl h LYS 117 Ca 0.28 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.63 1cyl h LYS 117 Cb 0.37 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.16 1cyl h LYS 117 CO -0.33 0.31 0.28 1.15 -2.27 0.00 0.00 179.45 178.59 1cyl h THR 118 N 0.00 1.23 0.01 1.00 2.02 0.94 -1.76 112.91 116.36 1cyl h THR 118 Ca -0.00 -0.72 -0.00 0.00 0.77 0.00 0.00 66.41 66.45 1cyl h THR 118 Cb 0.55 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 67.36 1cyl h THR 118 CO 0.04 0.29 -0.01 0.40 0.37 0.00 0.00 175.52 176.62 1cyl h ILE 119 N 0.99 1.08 0.02 3.11 5.03 -1.13 -1.86 117.51 124.76 1cyl h ILE 119 Ca 0.23 -0.28 -0.00 0.00 -0.12 0.00 0.00 64.86 64.70 1cyl h ILE 119 Cb 0.18 1.27 0.00 0.00 -3.03 0.00 0.00 36.82 35.23 1cyl h ILE 119 CO -0.02 0.07 -0.01 0.24 -0.68 0.00 0.00 178.15 177.75 1cyl h MET 120 N -0.13 -0.03 -1.01 2.37 2.86 -1.56 -2.10 114.93 115.32 1cyl h MET 120 Ca -0.00 0.00 0.26 0.00 -2.06 0.00 0.00 59.70 57.90 1cyl h MET 120 Cb 0.13 0.01 -0.07 0.00 0.06 0.00 0.00 31.60 31.72 1cyl h MET 120 CO 0.00 0.20 0.67 0.00 1.06 0.00 0.00 176.91 178.84 1cyl h ARG 121 N -0.26 0.28 0.05 1.72 3.08 -1.29 0.88 114.38 118.83 1cyl h ARG 121 Ca -0.00 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 1cyl h ARG 121 Cb 0.24 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.23 1cyl h ARG 121 CO 0.01 0.18 -0.02 0.93 -1.07 0.00 0.00 179.97 180.00 1cyl h GLU 122 N 0.29 -0.06 -0.60 0.04 5.08 -0.70 0.26 114.58 118.89 1cyl h GLU 122 Ca 0.54 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.98 1cyl h GLU 122 Cb 1.56 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 30.76 1cyl h GLU 122 CO -0.18 0.28 0.25 0.87 -1.00 0.00 0.00 179.01 179.23 1cyl h LYS 123 N -0.42 0.44 0.00 2.33 1.79 -0.28 0.90 116.57 121.33 1cyl h LYS 123 Ca -0.01 -0.03 -0.09 0.00 -2.18 0.00 0.00 60.65 58.35 1cyl h LYS 123 Cb 0.38 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 30.92 1cyl h LYS 123 CO 0.01 0.29 -0.41 1.88 -1.08 0.00 0.00 179.45 180.14 1cyl h TYR 124 N 0.45 0.00 -0.96 -1.35 -1.99 -1.20 -2.59 116.97 109.32 1cyl h TYR 124 Ca 0.29 0.00 0.08 0.00 2.00 0.00 0.00 58.73 61.10 1cyl h TYR 124 Cb 0.32 0.00 -0.07 0.00 2.00 0.00 0.00 36.73 38.98 1cyl h TYR 124 CO -0.15 0.41 0.61 1.03 -0.00 0.00 0.00 178.16 180.06 1cyl h SER 125 N 0.00 0.95 -0.59 3.88 0.87 0.21 -1.75 113.55 117.12 1cyl h SER 125 Ca -0.00 0.02 -0.37 0.00 -1.23 0.00 0.00 61.79 60.20 1cyl h SER 125 Cb 0.82 -0.18 -0.23 0.00 -0.44 0.00 0.00 62.40 62.38 1cyl h SER 125 CO 0.05 0.58 -0.05 1.17 -0.53 0.00 0.00 176.83 178.05 1cyl n LYS 126 N -4.57 2.42 0.00 2.24 4.81 -1.07 -4.74 118.16 117.26 1cyl n LYS 126 Ca 0.15 -3.44 0.00 0.00 -0.87 0.00 0.00 58.31 54.16 1cyl n LYS 126 Cb 0.22 -2.03 0.00 0.00 0.02 0.00 0.00 35.03 33.24 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 -3.15 0.06 0.00 0.00 0.01 -1.24 -5.08 113.70 104.29 1cyl s SER 128 Ca 0.00 -0.12 0.00 0.00 1.31 0.00 0.00 55.95 57.14 1cyl s SER 128 Cb 0.00 0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.26 1cyl s SER 128 CO 0.00 -0.08 0.28 -0.24 0.41 0.00 0.00 173.24 173.62