#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 -2.42 -1.66 -0.41 4.01 -1.26 -4.73 118.16 111.69 1cyl n LYS 2 Ca 0.00 1.83 -0.42 0.00 -0.51 0.00 0.00 58.31 59.21 1cyl n LYS 2 Cb 0.00 -2.88 0.00 0.00 -0.51 0.00 0.00 35.03 31.64 1cyl n LYS 2 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1cyl s ASP 4 N -0.52 0.16 0.31 0.00 2.15 -1.26 -5.04 116.67 112.47 1cyl s ASP 4 Ca 0.59 -1.08 0.12 0.00 0.43 0.00 0.00 52.55 52.62 1cyl s ASP 4 Cb -0.57 0.70 0.48 0.00 -0.30 0.00 0.00 42.92 43.22 1cyl s ASP 4 CO 0.59 -1.35 1.67 0.40 -0.17 0.00 0.00 175.17 176.31 1cyl h ILE 5 N 2.11 1.33 -0.44 4.11 5.03 -2.00 -3.27 117.51 124.39 1cyl h ILE 5 Ca -0.27 -1.87 0.09 0.00 -0.12 0.00 0.00 64.86 62.69 1cyl h ILE 5 Cb 1.25 2.02 -0.09 0.00 -3.03 0.00 0.00 36.82 36.97 1cyl h ILE 5 CO 0.36 0.52 -0.17 0.74 -0.68 0.00 0.00 178.15 178.92 1cyl h THR 6 N 0.00 0.45 -0.27 -0.27 2.02 -1.98 -2.15 112.91 110.71 1cyl h THR 6 Ca -0.01 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.23 1cyl h THR 6 Cb 0.98 0.45 -0.06 0.00 -1.74 0.00 0.00 68.15 67.78 1cyl h THR 6 CO 0.07 0.00 -0.11 0.17 0.37 0.00 0.00 175.52 176.02 1cyl h LEU 7 N -0.07 -0.37 -2.00 2.58 -0.00 -1.98 0.18 115.31 113.64 1cyl h LEU 7 Ca 0.21 0.10 0.27 0.00 -0.00 0.00 0.00 57.88 58.46 1cyl h LEU 7 Cb 0.40 0.22 -0.04 0.00 -0.00 0.00 0.00 40.66 41.24 1cyl h LEU 7 CO -0.49 -0.14 0.67 0.06 -0.00 0.00 0.00 178.44 178.54 1cyl h GLN 8 N -0.06 0.00 -0.08 0.17 -0.00 -1.56 0.28 115.11 113.87 1cyl h GLN 8 Ca 0.14 0.00 -0.05 0.00 -0.00 0.00 0.00 58.65 58.74 1cyl h GLN 8 Cb 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.75 1cyl h GLN 8 CO -0.31 0.00 -0.14 0.93 -0.00 0.00 0.00 178.83 179.31 1cyl h GLU 9 N 0.00 0.23 -0.25 0.06 5.08 -0.50 -3.21 114.58 115.99 1cyl h GLU 9 Ca 0.44 -0.14 0.04 0.00 -1.00 0.00 0.00 59.36 58.70 1cyl h GLU 9 Cb 1.78 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 31.01 1cyl h GLU 9 CO -0.00 0.72 0.02 0.82 -1.00 0.00 0.00 179.01 179.57 1cyl h ILE 10 N -0.24 0.85 -1.05 3.13 5.03 0.38 -0.26 117.51 125.35 1cyl h ILE 10 Ca 0.00 -0.04 0.29 0.00 -0.12 0.00 0.00 64.86 65.00 1cyl h ILE 10 Cb 0.71 0.73 -0.06 0.00 -3.03 0.00 0.00 36.82 35.17 1cyl h ILE 10 CO 0.03 0.02 0.73 0.40 -0.68 0.00 0.00 178.15 178.65 1cyl h ILE 11 N 0.11 0.49 -0.40 -0.67 2.04 -1.34 0.44 117.51 118.18 1cyl h ILE 11 Ca 0.12 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 65.93 1cyl h ILE 11 Cb 0.14 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 36.57 1cyl h ILE 11 CO -0.18 0.02 0.20 0.50 0.00 0.00 0.00 178.15 178.69 1cyl h LYS 12 N 0.12 0.57 0.01 2.37 3.11 -1.04 -0.72 116.57 121.00 1cyl h LYS 12 Ca 0.52 -0.08 -0.00 0.00 -2.81 0.00 0.00 60.65 58.28 1cyl h LYS 12 Cb 1.85 -0.11 0.00 0.00 -1.00 0.00 0.00 32.23 32.97 1cyl h LYS 12 CO -0.09 0.49 -0.01 1.15 -2.81 0.00 0.00 179.45 178.19 1cyl h THR 13 N 0.51 1.38 -0.75 1.00 2.02 -0.14 -2.45 112.91 114.48 1cyl h THR 13 Ca 0.14 -1.19 0.18 0.00 0.77 0.00 0.00 66.41 66.31 1cyl h THR 13 Cb 0.10 2.18 -0.04 0.00 -1.74 0.00 0.00 68.15 68.65 1cyl h THR 13 CO -0.02 0.31 0.52 -0.07 0.37 0.00 0.00 175.52 176.62 1cyl h LEU 14 N -0.53 0.20 0.02 2.58 4.07 -1.08 -1.10 115.31 119.47 1cyl h LEU 14 Ca -0.00 0.02 -0.00 0.00 0.08 0.00 0.00 57.88 57.97 1cyl h LEU 14 Cb 0.51 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.23 1cyl h LEU 14 CO 0.00 0.10 -0.01 -1.13 -1.08 0.00 0.00 178.44 176.32 1cyl h ASN 15 N 0.21 -0.02 -0.28 -0.43 -0.73 -0.97 -2.34 115.58 111.03 1cyl h ASN 15 Ca 0.37 -0.51 0.06 0.00 1.87 0.00 0.00 56.30 58.08 1cyl h ASN 15 Cb 1.13 0.01 -0.05 0.00 0.27 0.00 0.00 38.32 39.67 1cyl h ASN 15 CO -0.07 0.51 -0.08 -1.28 -0.37 0.00 0.00 177.43 176.14 1cyl h SER 16 N -0.56 -0.28 -0.10 1.15 0.87 -0.74 0.90 113.55 114.78 1cyl h SER 16 Ca -0.00 0.09 0.03 0.00 -1.23 0.00 0.00 61.79 60.67 1cyl h SER 16 Cb 0.53 0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 62.67 1cyl h SER 16 CO 0.00 -0.10 0.07 -0.07 -0.53 0.00 0.00 176.83 176.21 1cyl h LEU 17 N -0.01 0.00 -0.12 2.23 3.38 -1.42 -2.02 115.31 117.35 1cyl h LEU 17 Ca 0.14 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 1cyl h LEU 17 Cb 0.22 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 1cyl h LEU 17 CO -0.29 0.00 -0.05 0.74 0.09 0.00 0.00 178.44 178.93 1cyl h THR 18 N 0.00 1.31 -0.14 0.22 2.02 -0.28 -2.61 112.91 113.43 1cyl h THR 18 Ca 0.05 -1.03 0.04 0.00 0.77 0.00 0.00 66.41 66.23 1cyl h THR 18 Cb 0.19 1.74 -0.01 0.00 -1.74 0.00 0.00 68.15 68.33 1cyl h THR 18 CO -0.00 0.30 0.10 -0.08 0.37 0.00 0.00 175.52 176.21 1cyl h GLU 19 N -0.08 0.00 -4.69 6.66 4.81 -0.62 -3.32 114.58 117.33 1cyl h GLU 19 Ca 0.03 0.00 -0.66 0.00 -0.13 0.00 0.00 59.36 58.60 1cyl h GLU 19 Cb 0.49 0.00 -0.40 0.00 0.63 0.00 0.00 28.75 29.47 1cyl h GLU 19 CO 0.02 0.00 -0.72 -0.65 -0.73 0.00 0.00 179.01 176.93 1cyl s GLN 20 N -5.04 1.55 0.00 1.92 -0.21 -0.87 -4.94 119.66 112.07 1cyl s GLN 20 Ca -0.05 -1.84 0.00 0.00 0.02 0.00 0.00 55.36 53.49 1cyl s GLN 20 Cb 0.18 -3.20 0.00 0.00 1.00 0.00 0.00 33.01 30.98 1cyl s GLN 20 CO 0.68 -0.92 0.00 1.63 -2.12 0.00 0.00 175.29 174.56 1cyl n LYS 21 N 4.27 0.00 0.00 2.91 4.76 -1.22 -4.64 118.16 124.24 1cyl n LYS 21 Ca 0.03 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.47 1cyl n LYS 21 Cb 0.42 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.61 1cyl n LYS 21 CO 0.00 0.00 0.00 -2.37 -1.37 0.00 0.00 177.40 173.66 1cyl n THR 22 N 0.00 0.00 0.15 -0.18 5.66 -1.26 -4.75 114.28 113.90 1cyl n THR 22 Ca 0.00 0.00 0.14 0.00 -3.05 0.00 0.00 64.05 61.14 1cyl n THR 22 Cb 0.00 0.00 0.43 0.00 -1.55 0.00 0.00 70.33 69.21 1cyl n THR 22 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 175.07 172.27 1cyl h LEU 23 N 0.00 0.00 0.00 1.09 5.85 -2.01 -3.32 115.31 116.91 1cyl h LEU 23 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1cyl h LEU 23 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1cyl h LEU 23 CO 0.00 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.10 1cyl n THR 25 N 0.00 0.00 -1.99 0.00 -2.24 -1.25 -4.51 114.28 104.28 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 1.21 -0.57 0.00 0.00 175.07 175.71 1cyl n GLU 26 N 0.00 -2.30 0.29 -0.78 2.13 -1.26 -4.65 120.64 114.06 1cyl n GLU 26 Ca 0.00 0.02 0.18 0.00 0.66 0.00 0.00 57.16 58.02 1cyl n GLU 26 Cb 0.00 -4.36 0.78 0.00 0.27 0.00 0.00 31.44 28.13 1cyl n GLU 26 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 1cyl h LEU 27 N 0.00 0.00 -1.93 4.31 3.38 -1.90 -3.44 115.31 115.73 1cyl h LEU 27 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1cyl h LEU 27 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1cyl h LEU 27 CO 0.01 0.01 -0.17 0.35 0.09 0.00 0.00 178.44 178.73 1cyl n THR 28 N -3.11 -4.00 -4.14 0.22 -2.24 -1.26 -4.83 114.28 94.93 1cyl n THR 28 Ca -0.00 0.55 -0.09 0.00 -2.27 0.00 0.00 64.05 62.24 1cyl n THR 28 Cb 0.27 -3.51 -0.10 0.00 -2.10 0.00 0.00 70.33 64.88 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 -0.10 0.44 -0.14 2.28 -7.23 -0.96 -4.75 120.40 109.94 1cyl s VAL 29 Ca 0.00 -1.88 -0.38 0.00 -1.81 0.00 0.00 61.98 57.91 1cyl s VAL 29 Cb 0.00 -1.67 -0.18 0.00 0.56 0.00 0.00 36.38 35.09 1cyl s VAL 29 CO 0.00 -0.87 1.10 0.41 -0.31 0.00 0.00 175.10 175.44 1cyl n THR 30 N 0.01 0.00 -2.78 5.32 -1.04 -1.26 -2.23 114.28 112.30 1cyl n THR 30 Ca -0.12 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.46 1cyl n THR 30 Cb 0.61 -0.14 -0.00 0.00 -1.82 0.00 0.00 70.33 68.99 1cyl n THR 30 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1cyl s ASP 31 N 0.81 6.95 -0.08 8.00 2.15 -1.26 -4.65 116.67 128.59 1cyl s ASP 31 Ca 0.86 -2.70 0.00 0.00 0.43 0.00 0.00 52.55 51.14 1cyl s ASP 31 Cb -1.20 -2.48 0.09 0.00 -0.30 0.00 0.00 42.92 39.02 1cyl s ASP 31 CO 0.58 -0.96 1.45 2.30 -0.17 0.00 0.00 175.17 178.37 1cyl n ILE 32 N 5.46 1.66 -2.51 4.11 -5.35 -1.26 -3.91 119.36 117.57 1cyl n ILE 32 Ca 0.42 -0.50 -0.00 0.00 -0.27 0.00 0.00 62.75 62.39 1cyl n ILE 32 Cb 0.45 -1.11 0.05 0.00 -1.74 0.00 0.00 39.64 37.29 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 0.56 0.77 -2.80 4.28 3.72 -1.26 -4.92 117.46 117.82 1cyl n PHE 33 Ca 0.09 -1.42 -0.10 0.00 -0.05 0.00 0.00 57.45 55.97 1cyl n PHE 33 Cb 0.63 -0.21 0.05 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 -0.75 0.00 4.37 0.00 -1.25 -4.98 120.51 117.68 1cyl n ALA 34 Ca 0.11 -1.67 0.00 0.00 0.00 0.00 0.00 53.44 51.88 1cyl n ALA 34 Cb 0.95 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 19.17 1cyl n ALA 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1cyl n ALA 35 N 1.17 0.00 -4.00 0.00 0.00 -1.26 -4.96 120.51 111.46 1cyl n ALA 35 Ca 0.10 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.26 1cyl n ALA 35 Cb 0.64 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.08 1cyl n ALA 35 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1cyl n SER 36 N 0.00 -1.37 -0.91 0.00 3.41 -1.26 -4.80 113.62 108.70 1cyl n SER 36 Ca 0.00 -0.98 0.04 0.00 -0.26 0.00 0.00 58.87 57.67 1cyl n SER 36 Cb 0.00 -3.10 0.16 0.00 -0.26 0.00 0.00 64.21 61.02 1cyl n SER 36 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1cyl n LYS 37 N -4.42 2.32 -0.03 4.33 4.81 -1.26 -3.97 118.16 119.94 1cyl n LYS 37 Ca -0.20 -1.28 0.04 0.00 -0.87 0.00 0.00 58.31 56.00 1cyl n LYS 37 Cb 0.63 -1.61 0.20 0.00 0.02 0.00 0.00 35.03 34.27 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 0.33 0.37 -2.72 3.14 2.85 -1.26 -4.84 115.26 113.12 1cyl n ASN 38 Ca 0.11 -1.82 -0.10 0.00 -0.11 0.00 0.00 54.58 52.66 1cyl n ASN 38 Cb 0.51 -0.04 0.08 0.00 1.24 0.00 0.00 39.78 41.57 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 -0.39 0.00 -1.51 -0.44 5.66 -1.25 -4.91 114.28 111.44 1cyl n THR 39 Ca 0.07 -0.29 -0.47 0.00 -3.05 0.00 0.00 64.05 60.30 1cyl n THR 39 Cb 0.08 -1.61 -0.03 0.00 -1.55 0.00 0.00 70.33 67.22 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 -2.84 1.66 -0.29 1.09 -2.24 -1.26 -4.82 114.28 105.59 1cyl n THR 40 Ca 0.06 -0.42 -0.03 0.00 -2.27 0.00 0.00 64.05 61.39 1cyl n THR 40 Cb 0.20 -0.55 0.08 0.00 -2.10 0.00 0.00 70.33 67.97 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 1.96 1.00 -0.97 -0.78 4.39 -1.91 -0.49 114.58 117.78 1cyl h GLU 41 Ca -0.37 -0.06 0.28 0.00 0.34 0.00 0.00 59.36 59.55 1cyl h GLU 41 Cb 1.38 -0.23 -0.04 0.00 -0.10 0.00 0.00 28.75 29.77 1cyl h GLU 41 CO 0.61 0.66 0.71 1.57 -1.16 0.00 0.00 179.01 181.41 1cyl h LYS 42 N 1.03 0.00 -0.31 2.33 2.10 -1.87 0.21 116.57 120.06 1cyl h LYS 42 Ca 0.30 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.89 1cyl h LYS 42 Cb -0.07 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.25 1cyl h LYS 42 CO -0.08 0.00 -0.05 1.49 -2.00 0.00 0.00 179.45 178.80 1cyl h GLU 43 N 0.00 0.58 0.00 0.07 4.22 -1.41 -2.25 114.58 115.80 1cyl h GLU 43 Ca 0.46 -0.21 -0.01 0.00 0.08 0.00 0.00 59.36 59.68 1cyl h GLU 43 Cb 1.88 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 31.09 1cyl h GLU 43 CO -0.00 0.76 -0.03 0.00 -2.18 0.00 0.00 179.01 177.55 1cyl h THR 44 N 0.36 0.94 0.00 0.32 1.03 -0.62 0.37 112.91 115.32 1cyl h THR 44 Ca 0.08 -0.12 -0.10 0.00 -0.01 0.00 0.00 66.41 66.26 1cyl h THR 44 Cb 0.53 1.07 -0.01 0.00 -1.07 0.00 0.00 68.15 68.66 1cyl h THR 44 CO 0.03 0.03 -0.50 -0.26 -0.01 0.00 0.00 175.52 174.81 1cyl h PHE 45 N 0.00 0.00 0.08 0.00 -1.00 -0.96 -1.04 116.94 114.02 1cyl h PHE 45 Ca -0.00 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.78 1cyl h PHE 45 Cb 0.06 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.62 1cyl h PHE 45 CO 0.00 0.50 -0.04 0.00 -1.61 0.00 0.00 178.31 177.16 1cyl h ARG 47 N -0.50 0.38 -0.18 0.00 2.43 -1.53 -2.92 114.38 112.05 1cyl h ARG 47 Ca -0.01 -0.24 -0.14 0.00 -0.81 0.00 0.00 59.98 58.78 1cyl h ARG 47 Cb 0.43 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 1cyl h ARG 47 CO 0.02 0.83 -0.49 0.00 -1.51 0.00 0.00 179.97 178.82 1cyl h ALA 48 N 1.12 0.81 -0.03 2.80 0.00 -1.18 -2.91 119.26 119.87 1cyl h ALA 48 Ca 0.01 -0.48 -0.11 0.00 0.00 0.00 0.00 54.91 54.32 1cyl h ALA 48 Cb 1.05 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1cyl h ALA 48 CO 0.09 0.67 -0.51 0.00 0.00 0.00 0.00 179.25 179.50 1cyl h ALA 49 N 1.08 1.10 -0.30 0.00 0.00 -1.10 -1.90 119.26 118.14 1cyl h ALA 49 Ca 0.02 -0.47 -0.06 0.00 0.00 0.00 0.00 54.91 54.40 1cyl h ALA 49 Cb 1.00 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1cyl h ALA 49 CO 0.09 0.65 -0.03 1.15 0.00 0.00 0.00 179.25 181.11 1cyl h THR 50 N 0.06 1.27 0.05 0.00 2.02 -1.32 -2.45 112.91 112.53 1cyl h THR 50 Ca -0.00 -1.02 -0.00 0.00 0.77 0.00 0.00 66.41 66.16 1cyl h THR 50 Cb 0.92 1.33 0.00 0.00 -1.74 0.00 0.00 68.15 68.66 1cyl h THR 50 CO 0.07 0.33 -0.02 1.62 0.37 0.00 0.00 175.52 177.89 1cyl h VAL 51 N 0.34 1.29 -0.88 3.16 3.04 -1.41 -2.90 116.25 118.89 1cyl h VAL 51 Ca 0.08 -1.21 0.24 0.00 -1.01 0.00 0.00 66.70 64.81 1cyl h VAL 51 Cb 0.49 2.08 -0.04 0.00 -2.01 0.00 0.00 31.29 31.81 1cyl h VAL 51 CO 0.02 0.30 0.62 -0.07 -1.01 0.00 0.00 177.57 177.43 1cyl h LEU 52 N -0.61 0.09 0.02 3.16 3.38 -1.40 0.14 115.31 120.09 1cyl h LEU 52 Ca -0.01 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1cyl h LEU 52 Cb 0.54 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1cyl h LEU 52 CO 0.01 0.03 -0.01 -0.09 0.09 0.00 0.00 178.44 178.47 1cyl h ARG 53 N 0.08 -0.02 0.00 1.13 2.43 -1.24 -2.05 114.38 114.71 1cyl h ARG 53 Ca 0.43 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.55 1cyl h ARG 53 Cb 1.57 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 31.12 1cyl h ARG 53 CO -0.04 0.12 -0.23 -0.56 -1.51 0.00 0.00 179.97 177.75 1cyl h GLN 54 N -0.17 0.00 0.10 0.20 -0.00 -0.65 -2.46 115.11 112.13 1cyl h GLN 54 Ca -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.64 1cyl h GLN 54 Cb 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.64 1cyl h GLN 54 CO 0.00 0.23 -0.05 0.35 -0.00 0.00 0.00 178.83 179.37 1cyl h PHE 55 N 0.00 -0.12 -0.20 0.06 3.57 -0.70 -0.37 116.94 119.18 1cyl h PHE 55 Ca -0.00 -0.00 -0.20 0.00 3.53 0.00 0.00 57.97 61.29 1cyl h PHE 55 Cb 0.49 0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.28 1cyl h PHE 55 CO 0.00 0.32 -0.68 0.10 -2.23 0.00 0.00 178.31 175.82 1cyl h TYR 56 N -0.64 1.02 0.01 0.41 -0.00 -1.37 0.72 116.97 117.12 1cyl h TYR 56 Ca -0.01 -0.42 -0.00 0.00 0.00 0.00 0.00 58.73 58.30 1cyl h TYR 56 Cb 0.51 -0.17 0.00 0.00 0.00 0.00 0.00 36.73 37.06 1cyl h TYR 56 CO 0.08 1.24 -0.01 1.03 -0.00 0.00 0.00 178.16 180.50 1cyl h SER 57 N 0.56 -0.01 0.29 0.10 0.87 -1.53 -3.06 113.55 110.77 1cyl h SER 57 Ca -0.02 -0.50 -0.04 0.00 -1.23 0.00 0.00 61.79 59.99 1cyl h SER 57 Cb 1.30 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.25 1cyl h SER 57 CO 0.14 0.49 -0.21 -0.74 -0.53 0.00 0.00 176.83 175.99 1cyl h HIS 58 N -0.53 0.00 -0.97 2.24 2.76 -1.14 -2.58 115.15 114.94 1cyl h HIS 58 Ca -0.00 0.00 0.21 0.00 -2.20 0.00 0.00 60.37 58.38 1cyl h HIS 58 Cb 0.51 0.00 -0.12 0.00 1.55 0.00 0.00 27.41 29.35 1cyl h HIS 58 CO 0.10 0.21 0.55 0.45 -1.30 0.00 0.00 177.93 177.95 1cyl h HIS 59 N 0.00 0.96 -0.91 5.26 -0.00 -0.73 0.13 115.15 119.85 1cyl h HIS 59 Ca -0.00 0.04 0.21 0.00 -0.00 0.00 0.00 60.37 60.61 1cyl h HIS 59 Cb 0.41 -0.27 -0.17 0.00 -0.00 0.00 0.00 27.41 27.38 1cyl h HIS 59 CO 0.00 0.12 -0.10 0.93 -0.00 0.00 0.00 177.93 178.88 1cyl h GLU 60 N 0.62 0.02 -3.66 2.45 5.08 -1.53 -2.82 114.58 114.74 1cyl h GLU 60 Ca 0.59 -0.00 -0.69 0.00 -1.00 0.00 0.00 59.36 58.26 1cyl h GLU 60 Cb 1.03 -0.01 -0.36 0.00 0.50 0.00 0.00 28.75 29.92 1cyl h GLU 60 CO -0.44 0.02 -0.42 0.15 -1.00 0.00 0.00 179.01 177.31 1cyl s LYS 61 N -6.15 2.42 -0.22 2.33 1.02 0.45 -4.74 119.74 114.86 1cyl s LYS 61 Ca -0.14 -2.48 0.07 0.00 0.02 0.00 0.00 55.97 53.44 1cyl s LYS 61 Cb 0.26 -3.66 0.23 0.00 -0.52 0.00 0.00 37.83 34.14 1cyl s LYS 61 CO 0.77 -1.15 1.11 -3.47 -0.92 0.00 0.00 175.35 171.69 1cyl n ASP 62 N 3.54 -0.93 -0.49 2.83 2.03 -1.07 -4.93 116.55 117.53 1cyl n ASP 62 Ca 0.07 -1.74 0.37 0.00 0.52 0.00 0.00 54.79 54.01 1cyl n ASP 62 Cb 0.37 0.48 0.59 0.00 -0.72 0.00 0.00 41.12 41.84 1cyl n ASP 62 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 1cyl n THR 63 N -0.84 -0.05 -1.51 5.18 5.66 -1.26 -3.99 114.28 117.47 1cyl n THR 63 Ca -0.11 1.18 -0.16 0.00 -3.05 0.00 0.00 64.05 61.91 1cyl n THR 63 Cb 0.72 -1.95 -0.14 0.00 -1.55 0.00 0.00 70.33 67.41 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 -3.64 0.27 -2.26 1.09 1.74 -1.26 -0.22 116.66 112.38 1cyl n ARG 64 Ca 0.33 -0.50 -0.04 0.00 -0.77 0.00 0.00 57.85 56.87 1cyl n ARG 64 Cb 1.42 -2.45 0.02 0.00 -1.02 0.00 0.00 32.46 30.43 1cyl n ARG 64 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1cyl n LEU 66 N -1.70 0.00 0.00 0.00 0.00 0.69 -4.96 117.00 111.03 1cyl n LEU 66 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.95 1cyl n LEU 66 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.96 1cyl n LEU 66 CO 0.13 0.00 0.00 0.61 0.00 0.00 0.00 177.39 178.13 1cyl n GLY 67 N -0.51 0.39 2.92 -3.96 0.00 -1.15 -2.74 105.19 100.14 1cyl n GLY 67 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 1cyl n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cyl n ALA 68 N -3.00 -0.01 0.00 4.61 0.00 -1.26 -4.42 120.51 116.42 1cyl n ALA 68 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1cyl n ALA 68 Cb 0.00 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.02 1cyl n ALA 68 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1cyl n THR 69 N -2.08 0.00 -0.19 0.00 -2.24 -1.26 -4.89 114.28 103.63 1cyl n THR 69 Ca -0.01 0.00 0.30 0.00 -2.27 0.00 0.00 64.05 62.07 1cyl n THR 69 Cb 0.48 0.00 0.71 0.00 -2.10 0.00 0.00 70.33 69.41 1cyl n THR 69 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1cyl h ALA 70 N 0.00 2.82 -0.12 6.98 0.00 -1.97 0.83 119.26 127.80 1cyl h ALA 70 Ca 0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1cyl h ALA 70 Cb 0.00 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1cyl h ALA 70 CO 0.00 -1.27 -0.04 0.37 0.00 0.00 0.00 179.25 178.31 1cyl h GLN 71 N 0.00 0.25 -0.97 0.00 -0.00 -1.93 -2.88 115.11 109.58 1cyl h GLN 71 Ca 0.45 -0.10 0.10 0.00 -0.00 0.00 0.00 58.65 59.09 1cyl h GLN 71 Cb 2.01 -0.01 -0.08 0.00 0.00 0.00 0.00 27.48 29.40 1cyl h GLN 71 CO -0.00 0.57 0.61 1.96 0.00 0.00 0.00 178.83 181.96 1cyl h GLN 72 N -0.09 0.99 -0.81 1.69 1.08 0.43 -0.99 115.11 117.41 1cyl h GLN 72 Ca 0.03 -0.06 0.15 0.00 -1.45 0.00 0.00 58.65 57.32 1cyl h GLN 72 Cb 0.48 -0.22 -0.10 0.00 -0.05 0.00 0.00 27.48 27.59 1cyl h GLN 72 CO 0.02 0.66 0.38 0.35 -0.95 0.00 0.00 178.83 179.28 1cyl h PHE 73 N 1.02 0.65 0.00 2.96 3.57 -1.07 0.21 116.94 124.29 1cyl h PHE 73 Ca 0.46 0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.93 1cyl h PHE 73 Cb 0.35 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 1cyl h PHE 73 CO -0.01 0.12 -0.31 1.25 -2.23 0.00 0.00 178.31 177.12 1cyl h HIS 74 N 0.53 0.00 -0.01 0.41 2.76 -1.12 -2.67 115.15 115.05 1cyl h HIS 74 Ca 0.45 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.62 1cyl h HIS 74 Cb 0.67 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.63 1cyl h HIS 74 CO -0.12 0.31 -0.00 0.00 -1.30 0.00 0.00 177.93 176.82 1cyl h ARG 75 N 0.00 0.02 -0.32 5.26 2.47 -0.36 -0.82 114.38 120.63 1cyl h ARG 75 Ca -0.00 -0.01 -0.06 0.00 -1.26 0.00 0.00 59.98 58.65 1cyl h ARG 75 Cb 0.55 -0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.85 1cyl h ARG 75 CO 0.04 0.34 -0.08 1.12 0.56 0.00 0.00 179.97 181.96 1cyl h HIS 76 N -0.31 0.56 -0.25 3.04 2.07 -1.30 -2.11 115.15 116.85 1cyl h HIS 76 Ca 0.00 -0.08 -0.14 0.00 -2.85 0.00 0.00 60.37 57.31 1cyl h HIS 76 Cb 0.34 -0.16 -0.01 0.00 2.57 0.00 0.00 27.41 30.15 1cyl h HIS 76 CO 0.04 0.60 -0.42 0.87 -3.07 0.00 0.00 177.93 175.95 1cyl h LYS 77 N 0.50 0.61 0.01 5.12 1.57 -1.37 -1.17 116.57 121.83 1cyl h LYS 77 Ca 0.10 -0.32 -0.00 0.00 -1.87 0.00 0.00 60.65 58.56 1cyl h LYS 77 Cb 0.44 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.76 1cyl h LYS 77 CO 0.02 0.92 -0.00 0.37 -0.57 0.00 0.00 179.45 180.18 1cyl h GLN 78 N 0.50 -0.01 -0.31 3.15 4.15 -0.78 -1.43 115.11 120.38 1cyl h GLN 78 Ca 0.04 0.00 -0.11 0.00 0.77 0.00 0.00 58.65 59.35 1cyl h GLN 78 Cb 0.94 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.62 1cyl h GLN 78 CO 0.08 0.51 -0.23 -0.07 -1.93 0.00 0.00 178.83 177.19 1cyl h LEU 79 N -0.54 0.74 -1.08 -2.39 4.07 -1.45 -1.68 115.31 112.99 1cyl h LEU 79 Ca -0.00 -0.44 -0.04 0.00 0.08 0.00 0.00 57.88 57.48 1cyl h LEU 79 Cb 0.53 -0.21 -0.03 0.00 1.08 0.00 0.00 40.66 42.03 1cyl h LEU 79 CO 0.00 1.03 0.19 0.16 -1.08 0.00 0.00 178.44 178.74 1cyl h ILE 80 N 0.47 1.22 0.08 1.22 -0.00 -1.29 0.69 117.51 119.90 1cyl h ILE 80 Ca 0.06 -0.73 -0.00 0.00 -0.00 0.00 0.00 64.86 64.19 1cyl h ILE 80 Cb 0.78 0.58 0.00 0.00 -0.00 0.00 0.00 36.82 38.19 1cyl h ILE 80 CO 0.06 0.28 -0.04 -0.09 -0.00 0.00 0.00 178.15 178.36 1cyl h ARG 81 N 0.83 -0.11 0.00 0.16 1.12 -1.03 0.45 114.38 115.80 1cyl h ARG 81 Ca 0.19 0.01 -0.04 0.00 -1.11 0.00 0.00 59.98 59.02 1cyl h ARG 81 Cb 0.22 0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 30.20 1cyl h ARG 81 CO -0.01 -0.02 -0.21 0.74 -3.11 0.00 0.00 179.97 177.36 1cyl h PHE 82 N -0.17 0.00 0.00 2.20 0.04 -0.87 0.13 116.94 118.27 1cyl h PHE 82 Ca -0.01 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.70 1cyl h PHE 82 Cb 0.14 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.28 1cyl h PHE 82 CO -0.05 0.21 -0.28 -0.07 -0.60 0.00 0.00 178.31 177.52 1cyl h LEU 83 N 0.00 0.00 -0.11 1.54 3.38 0.23 -2.47 115.31 117.88 1cyl h LEU 83 Ca -0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 1cyl h LEU 83 Cb 0.40 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 1cyl h LEU 83 CO 0.03 0.28 -0.14 0.50 0.09 0.00 0.00 178.44 179.19 1cyl h LYS 84 N 0.00 0.29 -0.84 1.13 3.64 0.25 -0.52 116.57 120.53 1cyl h LYS 84 Ca -0.00 -0.17 0.17 0.00 -1.27 0.00 0.00 60.65 59.38 1cyl h LYS 84 Cb 0.51 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.29 1cyl h LYS 84 CO 0.04 0.73 0.55 -0.09 -2.27 0.00 0.00 179.45 178.41 1cyl h ARG 85 N -0.13 0.44 -0.16 1.90 2.43 -1.02 0.45 114.38 118.29 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 0.69 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.13 1cyl h ARG 85 CO 0.03 0.29 -0.51 1.25 -1.51 0.00 0.00 179.97 179.53 1cyl h LEU 86 N 0.46 0.49 -0.11 3.80 5.85 -1.00 -1.85 115.31 122.93 1cyl h LEU 86 Ca 0.42 -0.25 -0.05 0.00 0.84 0.00 0.00 57.88 58.85 1cyl h LEU 86 Cb 0.95 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.85 1cyl h LEU 86 CO -0.16 0.91 -0.13 -0.78 -0.34 0.00 0.00 178.44 177.94 1cyl h ASP 87 N 0.35 0.31 -0.36 1.25 3.58 0.15 -0.30 116.42 121.40 1cyl h ASP 87 Ca 0.01 -0.50 -0.12 0.00 0.42 0.00 0.00 57.03 56.84 1cyl h ASP 87 Cb 1.02 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.97 1cyl h ASP 87 CO 0.09 0.75 -0.26 0.03 -2.88 0.00 0.00 179.24 176.96 1cyl h ARG 88 N -0.12 0.81 -0.22 0.28 2.47 -1.35 -3.24 114.38 113.01 1cyl h ARG 88 Ca 0.02 -0.39 -0.12 0.00 -1.26 0.00 0.00 59.98 58.22 1cyl h ARG 88 Cb 0.67 -0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.98 1cyl h ARG 88 CO 0.03 1.03 -0.32 -0.97 0.56 0.00 0.00 179.97 180.29 1cyl h ASN 89 N 0.60 0.67 -0.99 7.04 -0.00 -1.39 -3.09 115.58 118.42 1cyl h ASN 89 Ca 0.07 -0.52 0.29 0.00 -0.00 0.00 0.00 56.30 56.14 1cyl h ASN 89 Cb 0.83 -0.19 -0.04 0.00 -0.00 0.00 0.00 38.32 38.92 1cyl h ASN 89 CO 0.07 1.05 0.75 -0.07 -0.00 0.00 0.00 177.43 179.23 1cyl h LEU 90 N 0.30 0.00 -0.51 0.34 3.38 -1.07 0.23 115.31 117.98 1cyl h LEU 90 Ca 0.02 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.84 1cyl h LEU 90 Cb 0.91 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 1cyl h LEU 90 CO 0.08 0.00 -0.43 -0.50 0.09 0.00 0.00 178.44 177.68 1cyl h TRP 91 N 0.00 0.89 0.02 1.13 -0.00 -1.59 -0.54 115.95 115.86 1cyl h TRP 91 Ca 0.47 -0.27 -0.00 0.00 -0.00 0.00 0.00 58.89 59.08 1cyl h TRP 91 Cb 1.96 -0.18 0.00 0.00 -0.00 0.00 0.00 29.16 30.93 1cyl h TRP 91 CO 0.00 1.03 -0.01 0.78 -0.00 0.00 0.00 178.44 180.24 1cyl h GLY 92 N 0.92 -0.03 1.30 1.49 0.00 -0.68 -2.08 103.07 104.00 1cyl h GLY 92 Ca 0.04 0.01 0.02 0.00 0.00 0.00 0.00 47.33 47.40 1cyl h GLY 92 CO 0.09 -0.01 0.44 -2.00 0.00 0.00 0.00 176.54 175.06 1cyl h LEU 93 N -0.57 0.73 0.09 3.11 5.85 -1.44 -3.18 115.31 119.90 1cyl h LEU 93 Ca -0.00 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 1cyl h LEU 93 Cb 0.54 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.40 1cyl h LEU 93 CO 0.00 0.52 -0.05 0.00 -0.34 0.00 0.00 178.44 178.57 1cyl h ALA 94 N 1.60 -0.64 0.00 1.25 0.00 -1.06 -3.47 119.26 116.95 1cyl h ALA 94 Ca 0.25 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1cyl h ALA 94 Cb -0.03 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1cyl h ALA 94 CO -0.06 -0.63 0.00 0.41 0.00 0.00 0.00 179.25 178.97 1cyl n GLY 95 N 0.12 0.89 3.76 0.00 0.00 -0.79 -4.79 105.19 104.37 1cyl n GLY 95 Ca -0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 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 3.29 -0.20 0.99 2.96 -1.26 -5.04 118.68 119.41 1cyl s LEU 96 Ca 0.00 -0.77 0.23 0.00 -0.22 0.00 0.00 54.13 53.37 1cyl s LEU 96 Cb 0.00 -1.78 0.49 0.00 0.50 0.00 0.00 46.19 45.40 1cyl s LEU 96 CO 0.00 -0.35 1.13 -3.20 -1.32 0.00 0.00 176.35 172.61 1cyl n ASN 97 N -1.21 1.38 -2.71 3.68 5.15 -1.26 -4.90 115.26 115.38 1cyl n ASN 97 Ca -0.02 -2.02 -0.07 0.00 -0.60 0.00 0.00 54.58 51.87 1cyl n ASN 97 Cb 0.61 -0.42 0.07 0.00 -0.53 0.00 0.00 39.78 39.52 1cyl n ASN 97 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 1cyl n SER 98 N -0.37 -2.16 -3.22 1.20 3.41 -1.26 -5.05 113.62 106.16 1cyl n SER 98 Ca 0.06 -2.69 -0.26 0.00 -0.26 0.00 0.00 58.87 55.72 1cyl n SER 98 Cb 0.88 1.39 -0.06 0.00 -0.26 0.00 0.00 64.21 66.15 1cyl n SER 98 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1cyl s PRO 100 N -2.66 3.61 0.00 0.00 0.04 -1.26 -4.45 135.00 130.27 1cyl s PRO 100 Ca 0.42 1.29 0.00 0.00 0.04 0.00 0.00 61.00 62.75 1cyl s PRO 100 Cb 0.21 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.68 1cyl s PRO 100 CO -0.07 -0.58 0.00 1.33 0.04 0.00 0.00 177.00 177.72 1cyl n VAL 101 N -1.42 0.00 -2.68 -0.36 0.24 -1.26 -5.12 118.33 107.73 1cyl n VAL 101 Ca 0.09 0.00 -0.04 0.00 -2.04 0.00 0.00 64.34 62.35 1cyl n VAL 101 Cb 0.53 0.00 0.04 0.00 -1.47 0.00 0.00 33.84 32.94 1cyl n VAL 101 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 1cyl n LYS 102 N 0.00 0.18 -3.19 7.34 2.85 -1.26 -5.09 118.16 118.99 1cyl n LYS 102 Ca 0.00 -0.93 -0.46 0.00 -1.05 0.00 0.00 58.31 55.87 1cyl n LYS 102 Cb 0.00 -0.16 -0.02 0.00 -0.65 0.00 0.00 35.03 34.19 1cyl n LYS 102 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 1cyl s GLU 103 N 0.77 3.60 0.50 -1.58 2.56 -1.26 -4.87 118.70 118.42 1cyl s GLU 103 Ca 0.25 -2.21 0.30 0.00 0.00 0.00 0.00 54.97 53.31 1cyl s GLU 103 Cb 0.14 -4.60 1.41 0.00 2.00 0.00 0.00 34.13 33.08 1cyl s GLU 103 CO -0.10 -1.46 1.84 0.00 -0.56 0.00 0.00 175.26 174.98 1cyl h ALA 104 N 8.16 2.78 -1.42 6.30 0.00 -1.98 -3.42 119.26 129.67 1cyl h ALA 104 Ca 0.12 -0.01 -0.49 0.00 0.00 0.00 0.00 54.91 54.53 1cyl h ALA 104 Cb 1.04 0.06 0.25 0.00 0.00 0.00 0.00 17.79 19.13 1cyl h ALA 104 CO 0.88 -1.09 -1.97 -1.71 0.00 0.00 0.00 179.25 175.36 1cyl n ASN 105 N -4.32 -3.11 -4.01 0.00 2.85 -1.26 -4.97 115.26 100.44 1cyl n ASN 105 Ca 0.22 0.00 -0.09 0.00 -0.11 0.00 0.00 54.58 54.61 1cyl n ASN 105 Cb 1.02 -0.72 -0.11 0.00 1.24 0.00 0.00 39.78 41.21 1cyl n ASN 105 CO 0.00 0.00 0.00 -1.10 -2.11 0.00 0.00 177.26 174.05 1cyl s GLN 106 N -2.57 0.39 0.00 1.20 -0.21 -1.26 -4.10 119.66 113.11 1cyl s GLN 106 Ca 0.44 -0.77 0.00 0.00 0.02 0.00 0.00 55.36 55.05 1cyl s GLN 106 Cb -0.02 0.13 0.00 0.00 1.00 0.00 0.00 33.01 34.12 1cyl s GLN 106 CO 0.68 -0.06 0.00 0.45 -2.12 0.00 0.00 175.29 174.24 1cyl n SER 107 N 1.21 0.41 -4.29 5.90 2.88 -0.95 -4.67 113.62 114.12 1cyl n SER 107 Ca -0.21 -0.87 -0.31 0.00 -1.33 0.00 0.00 58.87 56.15 1cyl n SER 107 Cb 0.57 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.86 1cyl n SER 107 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1cyl s THR 108 N -1.63 2.01 0.24 2.46 -4.23 -1.26 -2.27 115.64 110.95 1cyl s THR 108 Ca 0.00 -1.08 -0.06 0.00 -1.18 0.00 0.00 61.69 59.38 1cyl s THR 108 Cb 0.00 -1.67 0.22 0.00 1.34 0.00 0.00 72.50 72.39 1cyl s THR 108 CO 0.00 0.57 1.69 0.25 -0.54 0.00 0.00 174.62 176.59 1cyl h LEU 109 N 5.62 0.04 -0.80 4.79 7.12 -1.85 0.53 115.31 130.75 1cyl h LEU 109 Ca -0.40 0.14 0.17 0.00 0.13 0.00 0.00 57.88 57.92 1cyl h LEU 109 Cb 1.13 0.18 -0.11 0.00 -0.53 0.00 0.00 40.66 41.33 1cyl h LEU 109 CO 0.47 -0.01 0.30 -0.08 -0.13 0.00 0.00 178.44 178.98 1cyl h GLU 110 N 0.29 0.37 0.00 1.25 4.22 -1.94 0.51 114.58 119.28 1cyl h GLU 110 Ca 0.40 -0.02 -0.10 0.00 0.08 0.00 0.00 59.36 59.72 1cyl h GLU 110 Cb 0.66 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 1cyl h GLU 110 CO -0.48 0.25 -0.49 -0.97 -2.18 0.00 0.00 179.01 175.13 1cyl h ASN 111 N 0.38 0.00 -0.61 1.04 -1.24 -0.44 -2.07 115.58 112.64 1cyl h ASN 111 Ca 0.46 0.00 -0.10 0.00 0.71 0.00 0.00 56.30 57.38 1cyl h ASN 111 Cb 0.79 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.82 1cyl h ASN 111 CO -0.48 0.49 -0.00 0.15 -1.29 0.00 0.00 177.43 176.30 1cyl h PHE 112 N 0.00 1.18 -0.18 0.67 3.57 0.19 0.47 116.94 122.85 1cyl h PHE 112 Ca -0.00 -0.21 -0.16 0.00 3.53 0.00 0.00 57.97 61.13 1cyl h PHE 112 Cb 0.91 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 39.34 1cyl h PHE 112 CO 0.00 1.04 -0.54 -0.07 -2.23 0.00 0.00 178.31 176.51 1cyl h LEU 113 N 0.99 0.59 0.03 0.59 3.38 -1.13 -0.23 115.31 119.52 1cyl h LEU 113 Ca 0.17 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 1cyl h LEU 113 Cb 0.57 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1cyl h LEU 113 CO 0.03 1.02 -0.01 -0.08 0.09 0.00 0.00 178.44 179.48 1cyl h GLU 114 N 0.41 -0.04 0.09 1.13 4.22 -0.98 -2.19 114.58 117.22 1cyl h GLU 114 Ca 0.01 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.45 1cyl h GLU 114 Cb 1.08 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1cyl h GLU 114 CO 0.10 0.46 -0.04 -0.09 -2.18 0.00 0.00 179.01 177.26 1cyl h ARG 115 N -0.56 -0.12 -0.67 1.92 9.65 -0.09 -1.97 114.38 122.54 1cyl h ARG 115 Ca -0.00 0.01 0.10 0.00 -1.10 0.00 0.00 59.98 58.98 1cyl h ARG 115 Cb 0.52 0.03 -0.07 0.00 -1.39 0.00 0.00 29.97 29.05 1cyl h ARG 115 CO 0.01 -0.04 0.30 -0.07 2.80 0.00 0.00 179.97 182.97 1cyl h LEU 116 N -0.17 0.36 -1.69 3.80 3.38 -1.10 0.48 115.31 120.37 1cyl h LEU 116 Ca -0.01 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 1cyl h LEU 116 Cb 0.13 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 1cyl h LEU 116 CO 0.02 0.20 -0.16 0.50 0.09 0.00 0.00 178.44 179.09 1cyl h LYS 117 N 0.51 0.00 -0.13 1.13 3.64 -1.00 -2.60 116.57 118.13 1cyl h LYS 117 Ca 0.34 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.68 1cyl h LYS 117 Cb 0.39 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1cyl h LYS 117 CO -0.29 0.16 -0.08 1.15 -2.27 0.00 0.00 179.45 178.13 1cyl h THR 118 N 0.00 1.33 -0.35 1.00 2.02 -0.16 -1.20 112.91 115.54 1cyl h THR 118 Ca -0.00 -1.14 -0.04 0.00 0.77 0.00 0.00 66.41 66.00 1cyl h THR 118 Cb 0.30 1.81 -0.01 0.00 -1.74 0.00 0.00 68.15 68.51 1cyl h THR 118 CO 0.02 0.33 0.08 0.40 0.37 0.00 0.00 175.52 176.72 1cyl h ILE 119 N -0.08 1.23 -0.16 3.11 5.03 -1.23 -2.17 117.51 123.22 1cyl h ILE 119 Ca 0.03 -0.77 -0.13 0.00 -0.12 0.00 0.00 64.86 63.87 1cyl h ILE 119 Cb 0.56 1.06 -0.01 0.00 -3.03 0.00 0.00 36.82 35.39 1cyl h ILE 119 CO 0.02 0.26 -0.46 0.24 -0.68 0.00 0.00 178.15 177.53 1cyl h MET 120 N 0.42 0.41 -0.55 2.37 2.86 -1.52 -1.27 114.93 117.65 1cyl h MET 120 Ca 0.11 -0.23 -0.09 0.00 -2.06 0.00 0.00 59.70 57.43 1cyl h MET 120 Cb 0.31 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.96 1cyl h MET 120 CO 0.00 0.79 -0.02 0.00 1.06 0.00 0.00 176.91 178.74 1cyl h ARG 121 N 0.33 0.98 -0.29 1.72 3.08 -1.11 -0.19 114.38 118.91 1cyl h ARG 121 Ca 0.02 -0.33 -0.17 0.00 0.07 0.00 0.00 59.98 59.57 1cyl h ARG 121 Cb 0.94 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.91 1cyl h ARG 121 CO 0.08 1.00 -0.50 0.93 -1.07 0.00 0.00 179.97 180.41 1cyl h GLU 122 N 0.86 0.83 -0.31 0.04 5.08 -1.25 -1.01 114.58 118.83 1cyl h GLU 122 Ca 0.15 -0.50 -0.18 0.00 -1.00 0.00 0.00 59.36 57.84 1cyl h GLU 122 Cb 0.57 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 1cyl h GLU 122 CO 0.03 1.13 -0.50 -0.22 -1.00 0.00 0.00 179.01 178.45 1cyl h LYS 123 N 0.65 0.87 0.00 2.33 3.11 -1.11 -3.04 116.57 119.37 1cyl h LYS 123 Ca 0.03 -0.52 -0.10 0.00 -2.81 0.00 0.00 60.65 57.24 1cyl h LYS 123 Cb 1.09 0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 32.36 1cyl h LYS 123 CO 0.11 1.16 -0.48 -0.92 -2.81 0.00 0.00 179.45 176.51 1cyl h TYR 124 N 0.68 0.00 -0.98 1.91 3.20 -1.01 -3.29 116.97 117.48 1cyl h TYR 124 Ca 0.03 0.00 0.10 0.00 3.14 0.00 0.00 58.73 62.00 1cyl h TYR 124 Cb 1.10 0.00 -0.13 0.00 1.54 0.00 0.00 36.73 39.24 1cyl h TYR 124 CO 0.07 0.48 -0.54 -1.13 -1.64 0.00 0.00 178.16 175.40 1cyl n SER 125 N -3.86 -0.95 0.00 -2.11 3.41 -0.39 -4.70 113.62 105.02 1cyl n SER 125 Ca -0.01 1.74 0.00 0.00 -0.26 0.00 0.00 58.87 60.34 1cyl n SER 125 Cb 0.51 -0.26 0.00 0.00 -0.26 0.00 0.00 64.21 64.20 1cyl n SER 125 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1cyl n LYS 126 N -5.28 0.00 0.22 4.33 4.81 -1.24 -5.02 118.16 115.98 1cyl n LYS 126 Ca 0.04 0.00 0.06 0.00 -0.87 0.00 0.00 58.31 57.54 1cyl n LYS 126 Cb 0.29 0.00 0.53 0.00 0.02 0.00 0.00 35.03 35.87 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 -4.40 -6.68 -0.96 0.00 3.41 -1.26 -5.10 113.62 98.64 1cyl n SER 128 Ca -0.02 1.03 0.12 0.00 -0.26 0.00 0.00 58.87 59.74 1cyl n SER 128 Cb 0.19 -4.24 0.10 0.00 -0.26 0.00 0.00 64.21 60.00 1cyl n SER 128 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64