#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tvg n ASP 5 N 0.00 0.00 -0.13 9.51 4.64 -1.26 -2.01 116.55 127.29 1tvg n ASP 5 Ca 0.00 0.00 0.19 0.00 -1.38 0.00 0.00 54.79 53.60 1tvg n ASP 5 Cb 0.00 0.00 0.58 0.00 -1.04 0.00 0.00 41.12 40.66 1tvg n ASP 5 CO 0.00 0.00 0.00 -0.07 -0.82 0.00 0.00 177.20 176.31 1tvg h LEU 6 N 0.00 0.24 -0.10 -2.67 3.38 -1.67 -2.04 115.31 112.45 1tvg h LEU 6 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1tvg h LEU 6 Cb 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1tvg h LEU 6 CO 0.00 0.12 0.00 0.00 0.09 0.00 0.00 178.44 178.65 1tvg n LEU 8 N -2.47 3.79 0.23 0.00 4.77 -0.77 -4.60 117.00 117.94 1tvg n LEU 8 Ca 0.05 1.18 0.07 0.00 -0.03 0.00 0.00 56.01 57.29 1tvg n LEU 8 Cb 0.43 -1.51 0.54 0.00 -2.33 0.00 0.00 43.42 40.55 1tvg n LEU 8 CO 0.30 -0.26 0.86 0.77 -1.33 0.00 0.00 177.39 177.73 1tvg h SER 9 N 3.48 0.00 0.71 -1.43 4.64 -1.53 -0.41 113.55 119.01 1tvg h SER 9 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1tvg h SER 9 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1tvg h SER 9 CO 0.69 0.22 0.00 0.77 -0.87 0.00 0.00 176.83 177.65 1tvg h SER 10 N 0.00 0.00 -0.03 4.97 4.64 -1.86 -0.73 113.55 120.54 1tvg h SER 10 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1tvg h SER 10 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 1tvg h SER 10 CO 0.03 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.37 1tvg n GLU 11 N -2.45 2.06 0.00 4.77 -0.58 -0.18 -4.94 120.64 119.31 1tvg n GLU 11 Ca 0.01 -1.53 0.00 0.00 -0.42 0.00 0.00 57.16 55.22 1tvg n GLU 11 Cb 0.23 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.63 1tvg n GLU 11 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1tvg n GLY 12 N 1.28 0.43 3.81 0.62 0.00 -0.28 -5.01 105.19 106.04 1tvg n GLY 12 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 1tvg n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1tvg s SER 13 N -2.05 4.77 -0.06 1.61 0.01 -1.09 -4.66 113.70 112.22 1tvg s SER 13 Ca 0.00 1.37 -0.14 0.00 1.31 0.00 0.00 55.95 58.48 1tvg s SER 13 Cb 0.00 -2.14 0.03 0.00 0.21 0.00 0.00 66.02 64.12 1tvg s SER 13 CO 0.00 -1.80 0.34 -0.70 0.41 0.00 0.00 173.24 171.49 1tvg s GLU 14 N -5.14 0.58 -0.21 12.44 2.12 0.17 -4.18 118.70 124.48 1tvg s GLU 14 Ca 0.60 0.10 -0.13 0.00 0.36 0.00 0.00 54.97 55.90 1tvg s GLU 14 Cb -0.14 0.26 -0.04 0.00 0.26 0.00 0.00 34.13 34.47 1tvg s GLU 14 CO 0.54 -0.13 0.28 0.08 -0.54 0.00 0.00 175.26 175.49 1tvg s VAL 15 N -0.70 5.29 0.21 3.70 1.01 -1.26 0.06 120.40 128.70 1tvg s VAL 15 Ca -0.08 0.46 0.03 0.00 0.00 0.00 0.00 61.98 62.39 1tvg s VAL 15 Cb -0.04 -3.61 -0.05 0.00 0.00 0.00 0.00 36.38 32.68 1tvg s VAL 15 CO 0.03 0.32 -0.00 0.27 0.00 0.00 0.00 175.10 175.71 1tvg s ILE 16 N 1.01 0.92 -1.45 2.22 -4.36 0.43 -4.82 121.20 115.15 1tvg s ILE 16 Ca 0.14 -2.02 -0.07 0.00 -0.26 0.00 0.00 60.65 58.44 1tvg s ILE 16 Cb -0.14 -2.25 0.05 0.00 1.25 0.00 0.00 42.46 41.37 1tvg s ILE 16 CO 0.05 -0.39 0.80 0.18 0.24 0.00 0.00 174.94 175.82 1tvg n LEU 17 N -0.35 -2.66 -4.78 0.37 4.77 -1.26 -1.16 117.00 111.93 1tvg n LEU 17 Ca -0.06 -0.84 -0.38 0.00 -0.03 0.00 0.00 56.01 54.71 1tvg n LEU 17 Cb 0.63 -2.53 -0.06 0.00 -2.33 0.00 0.00 43.42 39.14 1tvg n LEU 17 CO 0.35 0.43 0.59 0.00 -1.33 0.00 0.00 177.39 177.44 1tvg s ALA 18 N -3.52 3.31 -1.77 -1.18 0.00 -1.26 -4.26 121.76 113.07 1tvg s ALA 18 Ca 0.34 0.47 0.30 0.00 0.00 0.00 0.00 51.96 53.07 1tvg s ALA 18 Cb -0.17 -3.10 1.44 0.00 0.00 0.00 0.00 23.12 21.28 1tvg s ALA 18 CO 0.84 0.22 1.98 0.25 0.00 0.00 0.00 175.76 179.05 1tvg n THR 19 N 0.96 0.00 -4.26 0.00 -2.24 -0.29 -4.75 114.28 103.70 1tvg n THR 19 Ca -0.01 -0.05 -0.17 0.00 -2.27 0.00 0.00 64.05 61.55 1tvg n THR 19 Cb 0.49 -0.22 -0.14 0.00 -2.10 0.00 0.00 70.33 68.37 1tvg n THR 19 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1tvg s SER 20 N -2.33 1.00 -0.36 3.42 0.01 -1.26 -4.87 113.70 109.31 1tvg s SER 20 Ca 0.34 -0.26 0.15 0.00 1.31 0.00 0.00 55.95 57.49 1tvg s SER 20 Cb 0.21 -0.08 0.41 0.00 0.21 0.00 0.00 66.02 66.77 1tvg s SER 20 CO 0.43 0.03 0.88 -1.54 0.41 0.00 0.00 173.24 173.45 1tvg n SER 21 N 2.49 1.54 -4.69 2.44 3.41 -1.26 -4.76 113.62 112.79 1tvg n SER 21 Ca -0.16 -2.92 -0.42 0.00 -0.26 0.00 0.00 58.87 55.11 1tvg n SER 21 Cb 0.56 -0.56 -0.03 0.00 -0.26 0.00 0.00 64.21 63.93 1tvg n SER 21 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1tvg s ASP 22 N -2.91 6.76 0.50 4.04 2.15 -1.26 -4.88 116.67 121.07 1tvg s ASP 22 Ca 0.34 2.26 0.21 0.00 0.43 0.00 0.00 52.55 55.79 1tvg s ASP 22 Cb 0.41 -2.56 1.28 0.00 -0.30 0.00 0.00 42.92 41.75 1tvg s ASP 22 CO -0.02 -0.78 2.02 -0.08 -0.17 0.00 0.00 175.17 176.14 1tvg h GLU 23 N 7.95 0.10 0.00 4.34 4.81 -2.00 -0.24 114.58 129.54 1tvg h GLU 23 Ca -0.40 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.83 1tvg h GLU 23 Cb 1.19 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.55 1tvg h GLU 23 CO 0.91 0.07 -0.01 0.87 -0.73 0.00 0.00 179.01 180.12 1tvg h LYS 24 N 0.10 0.00 -1.90 1.92 1.57 -1.98 -3.38 116.57 112.91 1tvg h LYS 24 Ca 0.22 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.47 1tvg h LYS 24 Cb 0.72 0.00 -0.38 0.00 0.08 0.00 0.00 32.23 32.65 1tvg h LYS 24 CO -0.02 0.00 -1.09 0.72 -0.57 0.00 0.00 179.45 178.48 1tvg n HIS 25 N -2.91 -0.41 -1.36 -1.35 8.25 -0.13 -4.94 115.22 112.37 1tvg n HIS 25 Ca 0.04 -3.52 -0.33 0.00 -0.26 0.00 0.00 57.72 53.65 1tvg n HIS 25 Cb 0.51 -0.26 0.10 0.00 1.12 0.00 0.00 29.99 31.45 1tvg n HIS 25 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1tvg s PRO 26 N -1.33 2.11 0.35 -0.41 0.04 -1.03 -3.62 135.00 131.11 1tvg s PRO 26 Ca 0.36 1.57 0.07 0.00 0.04 0.00 0.00 61.00 63.03 1tvg s PRO 26 Cb 0.21 -1.85 0.77 0.00 0.04 0.00 0.00 34.50 33.67 1tvg s PRO 26 CO -0.11 -1.82 1.90 -1.35 0.04 0.00 0.00 177.00 175.67 1tvg h PRO 27 N -0.60 0.72 -0.05 0.56 0.11 -1.88 -1.61 132.00 129.25 1tvg h PRO 27 Ca -0.46 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 65.62 1tvg h PRO 27 Cb 1.27 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 1tvg h PRO 27 CO 0.49 0.48 0.23 1.05 -0.21 0.00 0.00 178.00 180.04 1tvg h GLU 28 N 0.74 0.00 0.00 1.05 4.11 -1.92 -0.68 114.58 117.89 1tvg h GLU 28 Ca 0.40 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.83 1tvg h GLU 28 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1tvg h GLU 28 CO -0.17 0.00 0.00 -0.91 0.07 0.00 0.00 179.01 178.00 1tvg h ASN 29 N 0.00 0.00 1.01 3.06 -0.26 -1.61 -2.61 115.58 115.17 1tvg h ASN 29 Ca 0.02 0.00 -0.09 0.00 -0.56 0.00 0.00 56.30 55.68 1tvg h ASN 29 Cb 0.49 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.73 1tvg h ASN 29 CO -0.00 0.00 -0.41 0.40 -1.06 0.00 0.00 177.43 176.36 1tvg h ILE 30 N 0.00 0.88 -0.22 2.81 2.04 -1.32 -3.35 117.51 118.34 1tvg h ILE 30 Ca 0.00 -1.72 -0.19 0.00 1.00 0.00 0.00 64.86 63.95 1tvg h ILE 30 Cb 0.23 2.07 -0.22 0.00 -0.74 0.00 0.00 36.82 38.16 1tvg h ILE 30 CO 0.00 0.40 -0.74 2.30 0.00 0.00 0.00 178.15 180.11 1tvg n ILE 31 N -3.44 1.77 0.08 -0.67 -5.35 -0.99 -2.24 119.36 108.53 1tvg n ILE 31 Ca 0.00 -3.02 0.12 0.00 -0.27 0.00 0.00 62.75 59.58 1tvg n ILE 31 Cb 0.57 -0.07 0.25 0.00 -1.74 0.00 0.00 39.64 38.65 1tvg n ILE 31 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 1tvg n ASP 32 N -0.66 3.62 -1.17 7.28 5.75 -1.22 -1.84 116.55 128.32 1tvg n ASP 32 Ca 0.21 -1.99 -0.13 0.00 -0.01 0.00 0.00 54.79 52.87 1tvg n ASP 32 Cb 0.86 -0.32 -0.04 0.00 -1.03 0.00 0.00 41.12 40.58 1tvg n ASP 32 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1tvg n GLY 33 N 1.54 0.94 3.06 6.12 0.00 -1.26 -5.00 105.19 110.59 1tvg n GLY 33 Ca 0.21 -0.38 -0.32 0.00 0.00 0.00 0.00 46.02 45.53 1tvg n GLY 33 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1tvg s ASN 34 N -2.72 4.06 0.61 1.61 3.84 -1.26 -5.01 114.94 116.07 1tvg s ASN 34 Ca 0.00 -1.20 0.35 0.00 0.21 0.00 0.00 52.86 52.23 1tvg s ASN 34 Cb 0.00 -1.48 2.01 0.00 -0.55 0.00 0.00 41.25 41.24 1tvg s ASN 34 CO 0.00 -0.15 2.28 1.55 -2.79 0.00 0.00 177.10 177.98 1tvg h PRO 35 N 7.84 0.00 0.00 0.43 0.13 -1.94 -3.02 132.00 135.43 1tvg h PRO 35 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1tvg h PRO 35 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1tvg h PRO 35 CO 0.49 0.01 -0.82 -0.85 -0.23 0.00 0.00 178.00 176.60 1tvg n GLU 36 N -3.51 0.36 -3.23 0.86 0.28 -1.26 -4.86 120.64 109.28 1tvg n GLU 36 Ca -0.03 0.07 -0.36 0.00 -0.16 0.00 0.00 57.16 56.68 1tvg n GLU 36 Cb 0.10 -1.69 -0.06 0.00 1.43 0.00 0.00 31.44 31.21 1tvg n GLU 36 CO 0.00 0.00 0.00 0.95 -0.16 0.00 0.00 177.13 177.92 1tvg s THR 37 N -3.22 4.71 0.17 3.84 -4.23 -1.14 -5.07 115.64 110.70 1tvg s THR 37 Ca 0.04 1.10 -0.12 0.00 -1.18 0.00 0.00 61.69 61.52 1tvg s THR 37 Cb 0.13 -3.82 0.01 0.00 1.34 0.00 0.00 72.50 70.15 1tvg s THR 37 CO 0.76 0.29 0.37 0.72 -0.54 0.00 0.00 174.62 176.22 1tvg s PHE 38 N -1.42 0.15 -0.11 3.99 -0.71 -1.26 -4.57 117.98 114.06 1tvg s PHE 38 Ca 0.38 -0.51 -0.05 0.00 -1.04 0.00 0.00 56.93 55.71 1tvg s PHE 38 Cb -0.17 0.12 -0.04 0.00 -1.21 0.00 0.00 43.02 41.73 1tvg s PHE 38 CO 0.20 -0.77 0.10 -0.46 -1.34 0.00 0.00 175.22 172.94 1tvg s TRP 39 N -3.91 3.46 0.11 3.49 -0.00 -0.62 -4.31 118.94 117.16 1tvg s TRP 39 Ca 0.12 0.42 0.05 0.00 -0.00 0.00 0.00 56.10 56.69 1tvg s TRP 39 Cb 0.02 -1.89 -0.04 0.00 -0.00 0.00 0.00 33.47 31.56 1tvg s TRP 39 CO -0.03 0.65 -0.13 -0.08 -0.00 0.00 0.00 176.95 177.36 1tvg s THR 40 N -0.97 1.19 0.35 5.86 -1.32 -1.24 -0.92 115.64 118.58 1tvg s THR 40 Ca 0.14 -1.65 -0.18 0.00 -1.21 0.00 0.00 61.69 58.79 1tvg s THR 40 Cb -0.12 -1.43 -0.10 0.00 -1.51 0.00 0.00 72.50 69.35 1tvg s THR 40 CO 0.03 -0.44 0.82 0.42 -2.21 0.00 0.00 174.62 173.25 1tvg s THR 41 N -2.14 4.54 0.00 5.08 -4.23 -0.58 -4.71 115.64 113.60 1tvg s THR 41 Ca 0.07 1.23 0.00 0.00 -1.18 0.00 0.00 61.69 61.81 1tvg s THR 41 Cb -0.05 -3.67 0.00 0.00 1.34 0.00 0.00 72.50 70.13 1tvg s THR 41 CO 0.02 -0.16 0.00 0.35 -0.54 0.00 0.00 174.62 174.29 1tvg n THR 42 N -0.26 0.00 -1.43 3.99 -2.24 -1.26 -4.66 114.28 108.42 1tvg n THR 42 Ca 0.04 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 1tvg n THR 42 Cb 0.53 0.85 0.00 0.00 -2.10 0.00 0.00 70.33 69.61 1tvg n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1tvg n GLY 43 N 1.20 5.18 2.93 3.38 0.00 -1.26 -5.13 105.19 111.50 1tvg n GLY 43 Ca 0.00 -1.60 -0.18 0.00 0.00 0.00 0.00 46.02 44.24 1tvg n GLY 43 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1tvg n MET 44 N 0.00 -0.07 -4.32 1.61 2.81 -1.26 -4.93 117.12 110.96 1tvg n MET 44 Ca 0.00 -1.99 -0.23 0.00 -1.81 0.00 0.00 57.70 53.67 1tvg n MET 44 Cb 0.00 -0.57 -0.08 0.00 -0.71 0.00 0.00 33.22 31.86 1tvg n MET 44 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 1tvg s PHE 45 N -2.39 2.62 0.61 2.03 0.40 -1.26 -4.35 117.98 115.63 1tvg s PHE 45 Ca 0.51 -0.25 -0.16 0.00 -0.60 0.00 0.00 56.93 56.43 1tvg s PHE 45 Cb -0.03 -1.18 -0.03 0.00 0.51 0.00 0.00 43.02 42.30 1tvg s PHE 45 CO 0.34 0.63 1.08 -1.25 0.70 0.00 0.00 175.22 176.72 1tvg s PRO 46 N -3.65 3.17 0.22 0.24 0.04 -1.26 -5.10 135.00 128.66 1tvg s PRO 46 Ca 0.31 1.29 0.10 0.00 0.04 0.00 0.00 61.00 62.74 1tvg s PRO 46 Cb -0.06 -2.01 -0.04 0.00 0.04 0.00 0.00 34.50 32.43 1tvg s PRO 46 CO 0.19 -0.94 -0.12 -0.65 0.04 0.00 0.00 177.00 175.52 1tvg s GLN 47 N -4.02 1.93 0.23 4.56 -1.52 -0.74 -4.98 119.66 115.13 1tvg s GLN 47 Ca 0.65 -1.44 -0.22 0.00 -1.95 0.00 0.00 55.36 52.40 1tvg s GLN 47 Cb -0.18 -2.03 0.04 0.00 -0.22 0.00 0.00 33.01 30.63 1tvg s GLN 47 CO 0.37 0.40 0.84 -1.83 -0.25 0.00 0.00 175.29 174.82 1tvg s GLU 48 N -3.09 1.56 0.11 2.91 -1.05 -1.26 -0.21 118.70 117.68 1tvg s GLU 48 Ca 0.26 -0.89 -0.23 0.00 -0.15 0.00 0.00 54.97 53.97 1tvg s GLU 48 Cb -0.07 0.52 0.06 0.00 -0.44 0.00 0.00 34.13 34.19 1tvg s GLU 48 CO 0.15 -0.72 0.56 -0.59 0.95 0.00 0.00 175.26 175.61 1tvg s PHE 49 N -3.44 -0.48 -0.02 4.83 -0.71 -0.73 -1.14 117.98 116.29 1tvg s PHE 49 Ca 0.12 0.36 0.07 0.00 -1.04 0.00 0.00 56.93 56.44 1tvg s PHE 49 Cb -0.04 0.46 -0.02 0.00 -1.21 0.00 0.00 43.02 42.21 1tvg s PHE 49 CO 0.05 -0.76 -0.22 0.42 -1.34 0.00 0.00 175.22 173.37 1tvg s ILE 50 N -3.26 1.76 -0.24 -4.49 1.01 -0.31 -0.66 121.20 115.02 1tvg s ILE 50 Ca -0.01 -0.94 -0.08 0.00 0.00 0.00 0.00 60.65 59.62 1tvg s ILE 50 Cb -0.00 -1.47 -0.04 0.00 0.01 0.00 0.00 42.46 40.96 1tvg s ILE 50 CO -0.08 0.50 0.09 -0.63 0.00 0.00 0.00 174.94 174.81 1tvg s ILE 51 N -0.43 4.59 -0.26 2.92 1.01 0.69 -0.43 121.20 129.29 1tvg s ILE 51 Ca 0.06 -0.08 -0.09 0.00 0.00 0.00 0.00 60.65 60.54 1tvg s ILE 51 Cb -0.09 -3.13 -0.04 0.00 0.01 0.00 0.00 42.46 39.21 1tvg s ILE 51 CO -0.00 0.35 0.12 0.00 0.00 0.00 0.00 174.94 175.42 1tvg h PHE 53 N 8.25 0.00 -3.03 0.00 -1.00 -1.70 0.52 116.94 119.99 1tvg h PHE 53 Ca -0.37 0.00 -0.40 0.00 2.81 0.00 0.00 57.97 60.01 1tvg h PHE 53 Cb 1.18 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.73 1tvg h PHE 53 CO 0.71 0.00 -0.53 0.72 -1.61 0.00 0.00 178.31 177.61 1tvg n HIS 54 N -3.09 -1.06 -3.74 -0.55 8.25 -1.26 -4.28 115.22 109.49 1tvg n HIS 54 Ca 0.04 0.05 0.04 0.00 -0.26 0.00 0.00 57.72 57.59 1tvg n HIS 54 Cb 0.53 -3.93 0.00 0.00 1.12 0.00 0.00 29.99 27.71 1tvg n HIS 54 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1tvg s LYS 55 N -5.08 0.11 -0.18 -0.41 -2.85 -1.26 -5.07 119.74 105.01 1tvg s LYS 55 Ca 0.03 -0.06 -0.11 0.00 -1.00 0.00 0.00 55.97 54.82 1tvg s LYS 55 Cb -0.01 0.03 -0.05 0.00 -2.06 0.00 0.00 37.83 35.74 1tvg s LYS 55 CO 0.04 -0.05 0.20 -1.01 0.10 0.00 0.00 175.35 174.62 1tvg s HIS 56 N -2.07 3.45 0.14 1.78 3.76 -1.26 -4.45 115.29 116.65 1tvg s HIS 56 Ca 0.21 0.45 0.05 0.00 -0.15 0.00 0.00 55.06 55.62 1tvg s HIS 56 Cb 0.04 -2.21 -0.04 0.00 1.11 0.00 0.00 32.58 31.48 1tvg s HIS 56 CO -0.05 0.31 -0.11 0.14 -0.85 0.00 0.00 174.74 174.19 1tvg s VAL 57 N 0.27 1.20 -0.22 -0.90 -7.23 -0.68 0.02 120.40 112.86 1tvg s VAL 57 Ca 0.12 -2.01 0.02 0.00 -1.81 0.00 0.00 61.98 58.29 1tvg s VAL 57 Cb -0.12 -1.80 0.04 0.00 0.56 0.00 0.00 36.38 35.06 1tvg s VAL 57 CO 0.01 -0.70 -0.16 -0.13 -0.31 0.00 0.00 175.10 173.81 1tvg s ARG 58 N -3.59 2.69 -0.02 4.82 0.52 0.43 -1.27 118.95 122.53 1tvg s ARG 58 Ca 0.16 -1.04 -0.12 0.00 -0.52 0.00 0.00 55.73 54.20 1tvg s ARG 58 Cb 0.01 -2.72 -0.05 0.00 0.52 0.00 0.00 34.95 32.71 1tvg s ARG 58 CO 0.01 -0.36 0.34 0.42 0.02 0.00 0.00 175.30 175.73 1tvg s ILE 59 N 1.22 5.15 0.00 1.52 1.01 0.45 -1.41 121.20 129.13 1tvg s ILE 59 Ca -0.01 0.65 0.00 0.00 0.00 0.00 0.00 60.65 61.29 1tvg s ILE 59 Cb -0.16 -3.63 0.00 0.00 0.01 0.00 0.00 42.46 38.68 1tvg s ILE 59 CO -0.09 0.56 0.00 1.21 0.00 0.00 0.00 174.94 176.62 1tvg n GLU 60 N 1.78 2.80 -3.58 2.79 2.13 0.37 -1.51 120.64 125.42 1tvg n GLU 60 Ca -0.15 0.00 -0.15 0.00 0.66 0.00 0.00 57.16 57.52 1tvg n GLU 60 Cb 0.53 -0.75 -0.07 0.00 0.27 0.00 0.00 31.44 31.43 1tvg n GLU 60 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 1tvg s ARG 61 N -1.42 0.90 -0.01 5.31 3.52 -1.15 -3.36 118.95 122.74 1tvg s ARG 61 Ca 0.00 0.63 0.06 0.00 -0.13 0.00 0.00 55.73 56.29 1tvg s ARG 61 Cb 0.00 0.43 -0.02 0.00 -1.56 0.00 0.00 34.95 33.80 1tvg s ARG 61 CO 0.00 -0.20 -0.18 -0.51 -0.81 0.00 0.00 175.30 173.60 1tvg s LEU 62 N -0.34 2.05 -0.06 -0.88 1.43 0.01 -0.19 118.68 120.71 1tvg s LEU 62 Ca -0.04 -0.35 0.02 0.00 -1.03 0.00 0.00 54.13 52.73 1tvg s LEU 62 Cb -0.03 -0.91 0.01 0.00 0.03 0.00 0.00 46.19 45.29 1tvg s LEU 62 CO 0.04 0.20 -0.11 -0.69 0.23 0.00 0.00 176.35 176.02 1tvg s VAL 63 N -0.48 1.04 -0.06 -1.59 1.01 0.11 -0.36 120.40 120.08 1tvg s VAL 63 Ca 0.07 -0.44 0.03 0.00 0.00 0.00 0.00 61.98 61.64 1tvg s VAL 63 Cb -0.07 -0.95 0.01 0.00 0.00 0.00 0.00 36.38 35.36 1tvg s VAL 63 CO -0.00 0.33 -0.15 -0.63 0.00 0.00 0.00 175.10 174.64 1tvg s ILE 64 N 0.58 1.35 -0.18 2.22 1.01 0.18 -0.22 121.20 126.14 1tvg s ILE 64 Ca -0.12 -0.62 -0.00 0.00 0.00 0.00 0.00 60.65 59.91 1tvg s ILE 64 Cb -0.14 -1.19 0.01 0.00 0.01 0.00 0.00 42.46 41.14 1tvg s ILE 64 CO 0.03 0.40 -0.15 -1.58 0.00 0.00 0.00 174.94 173.63 1tvg s GLN 65 N 0.44 3.13 0.08 2.79 0.74 0.16 -1.00 119.66 126.00 1tvg s GLN 65 Ca -0.12 -0.77 -0.01 0.00 0.05 0.00 0.00 55.36 54.51 1tvg s GLN 65 Cb -0.15 -2.68 0.00 0.00 1.10 0.00 0.00 33.01 31.29 1tvg s GLN 65 CO 0.04 -0.15 0.13 -1.13 -0.55 0.00 0.00 175.29 173.63 1tvg n SER 66 N 4.53 -0.37 -3.71 6.67 3.41 -0.39 -0.09 113.62 123.68 1tvg n SER 66 Ca -0.20 -1.42 -0.12 0.00 -0.26 0.00 0.00 58.87 56.87 1tvg n SER 66 Cb 0.51 0.66 -0.10 0.00 -0.26 0.00 0.00 64.21 65.01 1tvg n SER 66 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1tvg s TYR 67 N -5.21 -0.56 0.00 7.33 5.04 -0.33 0.32 117.35 123.94 1tvg s TYR 67 Ca 0.06 1.26 0.00 0.00 -2.44 0.00 0.00 57.07 55.95 1tvg s TYR 67 Cb -0.00 0.23 0.00 0.00 0.35 0.00 0.00 41.96 42.54 1tvg s TYR 67 CO 0.04 -0.30 0.00 1.19 -1.34 0.00 0.00 175.55 175.14 1tvg n PHE 68 N 3.65 0.00 -2.54 4.97 3.72 -1.26 -0.90 117.46 125.10 1tvg n PHE 68 Ca -0.19 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.79 1tvg n PHE 68 Cb 0.56 -1.24 -0.02 0.00 -0.94 0.00 0.00 39.48 37.84 1tvg n PHE 68 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1tvg s VAL 69 N -1.48 4.46 -0.17 -4.37 1.01 -1.26 -0.12 120.40 118.47 1tvg s VAL 69 Ca 0.00 1.76 -0.13 0.00 0.00 0.00 0.00 61.98 63.61 1tvg s VAL 69 Cb 0.00 -4.13 -0.07 0.00 0.00 0.00 0.00 36.38 32.17 1tvg s VAL 69 CO 0.00 -0.07 -0.13 1.67 0.00 0.00 0.00 175.10 176.58 1tvg n GLN 70 N 5.70 0.49 -4.77 2.72 7.27 -0.29 -4.43 117.38 124.08 1tvg n GLN 70 Ca 0.11 0.48 -0.29 0.00 0.07 0.00 0.00 57.00 57.37 1tvg n GLN 70 Cb 0.46 -1.66 -0.17 0.00 2.41 0.00 0.00 30.24 31.29 1tvg n GLN 70 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 1tvg s THR 71 N -2.38 1.65 -0.10 1.69 2.01 -1.14 -0.44 115.64 116.93 1tvg s THR 71 Ca -0.21 -0.76 0.03 0.00 0.31 0.00 0.00 61.69 61.06 1tvg s THR 71 Cb 0.04 -1.47 0.01 0.00 0.01 0.00 0.00 72.50 71.08 1tvg s THR 71 CO 0.34 0.47 -0.21 -0.22 -0.69 0.00 0.00 174.62 174.32 1tvg s LEU 72 N 0.67 1.99 -0.10 4.42 1.98 0.33 -1.07 118.68 126.89 1tvg s LEU 72 Ca -0.13 -0.52 0.01 0.00 -2.89 0.00 0.00 54.13 50.61 1tvg s LEU 72 Cb -0.16 -1.30 -0.02 0.00 0.66 0.00 0.00 46.19 45.37 1tvg s LEU 72 CO 0.03 0.11 -0.14 -0.75 -1.89 0.00 0.00 176.35 173.71 1tvg s LYS 73 N 0.57 3.07 -0.13 1.98 2.20 0.20 -0.50 119.74 127.14 1tvg s LYS 73 Ca -0.14 -0.70 0.03 0.00 -0.36 0.00 0.00 55.97 54.79 1tvg s LYS 73 Cb -0.17 -2.52 0.00 0.00 -1.51 0.00 0.00 37.83 33.63 1tvg s LYS 73 CO 0.05 0.34 -0.21 0.42 -0.36 0.00 0.00 175.35 175.59 1tvg s ILE 74 N -0.00 2.19 0.26 5.43 1.01 0.15 -0.27 121.20 129.98 1tvg s ILE 74 Ca -0.04 -0.95 0.11 0.00 0.00 0.00 0.00 60.65 59.77 1tvg s ILE 74 Cb -0.14 -1.87 -0.05 0.00 0.01 0.00 0.00 42.46 40.41 1tvg s ILE 74 CO 0.04 0.55 -0.19 -1.61 0.00 0.00 0.00 174.94 173.73 1tvg s GLU 75 N 0.62 1.60 0.05 2.79 2.02 -0.13 -1.48 118.70 124.17 1tvg s GLU 75 Ca -0.11 -1.72 0.01 0.00 0.02 0.00 0.00 54.97 53.17 1tvg s GLU 75 Cb -0.16 -1.66 -0.03 0.00 0.10 0.00 0.00 34.13 32.38 1tvg s GLU 75 CO 0.03 0.31 -0.06 -1.59 0.02 0.00 0.00 175.26 173.97 1tvg s LYS 76 N -3.46 0.55 0.06 1.61 -2.85 -0.77 -0.80 119.74 114.08 1tvg s LYS 76 Ca 0.28 -0.91 0.03 0.00 -1.00 0.00 0.00 55.97 54.37 1tvg s LYS 76 Cb -0.05 -0.11 -0.03 0.00 -2.06 0.00 0.00 37.83 35.59 1tvg s LYS 76 CO 0.13 -0.01 -0.09 0.45 0.10 0.00 0.00 175.35 175.93 1tvg s SER 77 N -2.04 1.04 -0.02 0.03 0.15 -0.75 -1.39 113.70 110.72 1tvg s SER 77 Ca -0.05 -0.62 0.03 0.00 0.70 0.00 0.00 55.95 56.02 1tvg s SER 77 Cb -0.04 0.03 0.05 0.00 -1.71 0.00 0.00 66.02 64.35 1tvg s SER 77 CO -0.02 -0.21 1.00 0.35 1.20 0.00 0.00 173.24 175.55 1tvg n THR 78 N 1.23 1.08 -1.96 6.45 -2.24 -1.26 0.27 114.28 117.85 1tvg n THR 78 Ca -0.21 -1.15 -0.29 0.00 -2.27 0.00 0.00 64.05 60.13 1tvg n THR 78 Cb 0.55 0.40 0.05 0.00 -2.10 0.00 0.00 70.33 69.24 1tvg n THR 78 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1tvg s SER 79 N -1.27 5.28 0.26 3.42 0.01 -1.26 -4.73 113.70 115.41 1tvg s SER 79 Ca 0.06 0.99 -0.00 0.00 1.31 0.00 0.00 55.95 58.31 1tvg s SER 79 Cb 0.05 -1.76 0.34 0.00 0.21 0.00 0.00 66.02 64.86 1tvg s SER 79 CO 0.01 -1.41 1.71 0.50 0.41 0.00 0.00 173.24 174.45 1tvg h LYS 80 N -0.66 0.63 -6.14 12.44 1.63 -1.97 -3.44 116.57 119.06 1tvg h LYS 80 Ca -0.45 -0.22 -0.54 0.00 -0.85 0.00 0.00 60.65 58.59 1tvg h LYS 80 Cb 1.27 -0.05 -0.07 0.00 -0.60 0.00 0.00 32.23 32.78 1tvg h LYS 80 CO 0.64 0.78 -0.55 -1.21 -3.45 0.00 0.00 179.45 175.65 1tvg s GLU 81 N -4.66 2.43 -0.99 1.90 0.41 -1.26 -5.01 118.70 111.53 1tvg s GLU 81 Ca -0.08 -1.45 -0.20 0.00 -0.41 0.00 0.00 54.97 52.83 1tvg s GLU 81 Cb 0.14 -2.23 -0.10 0.00 -1.78 0.00 0.00 34.13 30.16 1tvg s GLU 81 CO 0.81 0.19 1.99 -0.35 -0.49 0.00 0.00 175.26 177.41 1tvg n PRO 82 N -1.11 1.90 -4.29 0.39 -0.04 -1.26 -4.82 135.00 125.77 1tvg n PRO 82 Ca -0.04 -2.13 -0.16 0.00 -0.04 0.00 0.00 63.50 61.13 1tvg n PRO 82 Cb 0.60 -3.09 -0.10 0.00 -0.04 0.00 0.00 33.50 30.87 1tvg n PRO 82 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1tvg s VAL 83 N 4.98 0.31 -1.27 0.52 -7.23 -1.26 -4.93 120.40 111.53 1tvg s VAL 83 Ca 0.56 -2.00 -0.15 0.00 -1.81 0.00 0.00 61.98 58.58 1tvg s VAL 83 Cb 0.13 -2.56 0.00 0.00 0.56 0.00 0.00 36.38 34.52 1tvg s VAL 83 CO 0.07 0.00 0.60 0.47 -0.31 0.00 0.00 175.10 175.93 1tvg n ASP 84 N -0.59 -3.03 -4.83 4.85 8.00 -1.26 -4.63 116.55 115.06 1tvg n ASP 84 Ca 0.01 -1.08 -0.32 0.00 0.71 0.00 0.00 54.79 54.11 1tvg n ASP 84 Cb 0.66 -2.88 -0.05 0.00 -0.02 0.00 0.00 41.12 38.82 1tvg n ASP 84 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1tvg s PHE 85 N -3.70 3.37 0.01 1.24 0.40 -1.26 -4.65 117.98 113.40 1tvg s PHE 85 Ca 0.29 1.50 0.05 0.00 -0.60 0.00 0.00 56.93 58.17 1tvg s PHE 85 Cb -0.12 -2.78 -0.02 0.00 0.51 0.00 0.00 43.02 40.61 1tvg s PHE 85 CO 0.90 -0.19 -0.16 -1.83 0.70 0.00 0.00 175.22 174.63 1tvg s GLU 86 N -3.52 1.21 0.40 0.44 -1.05 -0.49 -4.92 118.70 110.77 1tvg s GLU 86 Ca 0.60 -0.70 -0.27 0.00 -0.15 0.00 0.00 54.97 54.44 1tvg s GLU 86 Cb -0.09 -1.21 -0.10 0.00 -0.44 0.00 0.00 34.13 32.28 1tvg s GLU 86 CO 0.21 0.32 1.42 -1.14 0.95 0.00 0.00 175.26 177.02 1tvg s GLN 87 N -0.77 3.99 0.09 -4.83 0.74 -1.26 -1.84 119.66 115.78 1tvg s GLN 87 Ca 0.05 2.42 0.00 0.00 0.05 0.00 0.00 55.36 57.88 1tvg s GLN 87 Cb -0.07 -2.86 0.00 0.00 1.10 0.00 0.00 33.01 31.18 1tvg s GLN 87 CO 0.00 -0.57 0.00 1.87 -0.55 0.00 0.00 175.29 176.04 1tvg n TRP 88 N 0.25 -0.44 -4.63 1.67 -0.00 -0.60 -4.86 117.44 108.84 1tvg n TRP 88 Ca 0.02 0.08 -0.23 0.00 -0.00 0.00 0.00 57.50 57.37 1tvg n TRP 88 Cb 0.41 0.15 -0.15 0.00 -0.00 0.00 0.00 31.31 31.72 1tvg n TRP 88 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 177.69 178.11 1tvg s ILE 89 N -1.62 1.30 -0.27 5.87 -1.09 -0.55 -4.99 121.20 119.84 1tvg s ILE 89 Ca 0.00 -0.86 -0.02 0.00 -2.23 0.00 0.00 60.65 57.54 1tvg s ILE 89 Cb 0.00 -1.11 0.09 0.00 -1.58 0.00 0.00 42.46 39.85 1tvg s ILE 89 CO 0.00 0.24 0.08 -0.70 -1.23 0.00 0.00 174.94 173.33 1tvg s GLU 90 N -0.72 0.58 0.00 2.79 2.12 -1.26 0.33 118.70 122.54 1tvg s GLU 90 Ca 0.05 -0.74 0.05 0.00 0.36 0.00 0.00 54.97 54.69 1tvg s GLU 90 Cb -0.07 -1.85 -0.03 0.00 0.26 0.00 0.00 34.13 32.44 1tvg s GLU 90 CO 0.00 -0.88 -0.15 0.15 -0.54 0.00 0.00 175.26 173.84 1tvg s LYS 91 N 1.80 2.28 -0.33 4.30 -0.14 0.35 -4.98 119.74 123.03 1tvg s LYS 91 Ca 0.06 -0.85 -0.09 0.00 -1.36 0.00 0.00 55.97 53.73 1tvg s LYS 91 Cb -0.17 -2.29 0.02 0.00 -1.68 0.00 0.00 37.83 33.71 1tvg s LYS 91 CO -0.22 0.58 0.15 -0.51 -0.76 0.00 0.00 175.35 174.58 1tvg s ASP 92 N -1.18 5.48 0.48 2.83 1.01 -1.26 -0.51 116.67 123.51 1tvg s ASP 92 Ca 0.14 -0.81 -0.05 0.00 0.71 0.00 0.00 52.55 52.54 1tvg s ASP 92 Cb -0.11 -1.96 -0.03 0.00 1.01 0.00 0.00 42.92 41.83 1tvg s ASP 92 CO 0.04 -0.28 0.78 -0.76 0.21 0.00 0.00 175.17 175.16 1tvg s LEU 93 N 1.54 3.62 0.15 1.23 1.02 0.41 -5.00 118.68 121.64 1tvg s LEU 93 Ca 0.02 0.88 0.05 0.00 0.02 0.00 0.00 54.13 55.10 1tvg s LEU 93 Cb -0.18 -3.82 -0.04 0.00 0.02 0.00 0.00 46.19 42.17 1tvg s LEU 93 CO 0.05 -0.60 0.12 0.54 0.02 0.00 0.00 176.35 176.48 1tvg s VAL 94 N -2.74 4.48 -0.17 -1.59 0.11 -1.26 -4.75 120.40 114.47 1tvg s VAL 94 Ca 0.48 -1.03 -0.08 0.00 -2.93 0.00 0.00 61.98 58.42 1tvg s VAL 94 Cb -0.10 -3.26 -0.04 0.00 -1.53 0.00 0.00 36.38 31.44 1tvg s VAL 94 CO 0.44 -0.06 0.09 -2.28 -3.33 0.00 0.00 175.10 169.96 1tvg s HIS 95 N -1.68 3.35 -0.18 1.54 2.46 -1.26 -4.92 115.29 114.60 1tvg s HIS 95 Ca 0.31 0.23 0.01 0.00 0.47 0.00 0.00 55.06 56.07 1tvg s HIS 95 Cb -0.10 -2.07 0.03 0.00 -0.13 0.00 0.00 32.58 30.30 1tvg s HIS 95 CO 0.23 0.30 -0.13 0.99 -2.47 0.00 0.00 174.74 173.65 1tvg s THR 96 N 0.11 1.70 0.00 0.89 2.01 -1.26 -5.09 115.64 114.00 1tvg s THR 96 Ca 0.07 -0.86 -0.36 0.00 0.31 0.00 0.00 61.69 60.84 1tvg s THR 96 Cb -0.12 -1.66 -0.15 0.00 0.01 0.00 0.00 72.50 70.59 1tvg s THR 96 CO -0.00 0.34 1.60 -0.62 -0.69 0.00 0.00 174.62 175.25 1tvg n GLU 97 N 4.70 1.66 -1.05 4.92 -0.58 -1.26 -1.50 120.64 127.53 1tvg n GLU 97 Ca -0.17 0.60 -0.02 0.00 -0.42 0.00 0.00 57.16 57.16 1tvg n GLU 97 Cb 0.48 -2.33 -0.01 0.00 -0.57 0.00 0.00 31.44 29.01 1tvg n GLU 97 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1tvg n GLY 98 N 3.49 0.44 3.12 0.62 0.00 -1.26 -5.00 105.19 106.60 1tvg n GLY 98 Ca 0.20 -0.12 -0.17 0.00 0.00 0.00 0.00 46.02 45.94 1tvg n GLY 98 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1tvg s GLN 99 N -1.27 0.73 0.69 1.61 -1.52 -0.56 -5.14 119.66 114.19 1tvg s GLN 99 Ca 0.00 -0.83 -0.11 0.00 -1.95 0.00 0.00 55.36 52.47 1tvg s GLN 99 Cb 0.00 -0.65 0.01 0.00 -0.22 0.00 0.00 33.01 32.14 1tvg s GLN 99 CO 0.00 0.14 1.08 -0.51 -0.25 0.00 0.00 175.29 175.76 1tvg s LEU 100 N -1.54 2.94 -0.07 2.90 1.43 -1.26 -4.55 118.68 118.53 1tvg s LEU 100 Ca -0.04 1.13 -0.15 0.00 -1.03 0.00 0.00 54.13 54.04 1tvg s LEU 100 Cb -0.09 -3.95 -0.05 0.00 0.03 0.00 0.00 46.19 42.13 1tvg s LEU 100 CO 0.01 -1.29 0.38 -1.10 0.23 0.00 0.00 176.35 174.59 1tvg s GLN 101 N -5.33 4.05 -0.24 1.70 -0.21 0.15 -4.92 119.66 114.86 1tvg s GLN 101 Ca 0.58 0.32 -0.02 0.00 0.02 0.00 0.00 55.36 56.26 1tvg s GLN 101 Cb -0.11 -3.31 0.08 0.00 1.00 0.00 0.00 33.01 30.67 1tvg s GLN 101 CO 0.52 0.49 0.06 -0.80 -2.12 0.00 0.00 175.29 173.43 1tvg s ASN 102 N -0.38 3.37 -0.11 5.90 -0.87 -1.26 -1.26 114.94 120.34 1tvg s ASN 102 Ca 0.22 -1.14 0.03 0.00 -1.57 0.00 0.00 52.86 50.41 1tvg s ASN 102 Cb -0.15 -0.70 -0.00 0.00 -0.02 0.00 0.00 41.25 40.37 1tvg s ASN 102 CO 0.10 -0.34 -0.22 -0.70 -2.57 0.00 0.00 177.10 173.37 1tvg s GLU 103 N 1.77 3.11 -0.14 -0.60 2.56 -0.17 -4.98 118.70 120.24 1tvg s GLU 103 Ca 0.03 -0.84 -0.04 0.00 0.00 0.00 0.00 54.97 54.12 1tvg s GLU 103 Cb -0.17 -2.37 -0.03 0.00 2.00 0.00 0.00 34.13 33.56 1tvg s GLU 103 CO -0.15 0.19 -0.02 -2.00 -0.56 0.00 0.00 175.26 172.72 1tvg s GLU 104 N 0.33 3.56 -0.19 4.30 2.12 -1.26 -0.64 118.70 126.92 1tvg s GLU 104 Ca -0.17 -0.48 0.00 0.00 0.36 0.00 0.00 54.97 54.68 1tvg s GLU 104 Cb -0.17 -2.92 0.04 0.00 0.26 0.00 0.00 34.13 31.34 1tvg s GLU 104 CO 0.08 0.34 -0.09 0.42 -0.54 0.00 0.00 175.26 175.48 1tvg s ILE 105 N 0.11 1.45 -0.63 -3.70 1.01 0.52 -5.00 121.20 114.96 1tvg s ILE 105 Ca 0.00 -0.87 -0.18 0.00 0.00 0.00 0.00 60.65 59.60 1tvg s ILE 105 Cb -0.13 -1.57 0.12 0.00 0.01 0.00 0.00 42.46 40.89 1tvg s ILE 105 CO 0.02 0.16 0.72 -0.69 0.00 0.00 0.00 174.94 175.15 1tvg s VAL 106 N 1.48 4.92 -0.04 2.92 1.01 -1.26 -0.81 120.40 128.62 1tvg s VAL 106 Ca -0.01 -1.22 -0.14 0.00 0.00 0.00 0.00 61.98 60.62 1tvg s VAL 106 Cb -0.16 -4.50 0.02 0.00 0.00 0.00 0.00 36.38 31.75 1tvg s VAL 106 CO -0.08 -1.12 0.30 0.00 0.00 0.00 0.00 175.10 174.20 1tvg s ALA 107 N 2.35 -0.76 0.06 5.51 0.00 -1.21 -5.01 121.76 122.70 1tvg s ALA 107 Ca 0.13 0.44 0.01 0.00 0.00 0.00 0.00 51.96 52.54 1tvg s ALA 107 Cb -0.22 -0.07 -0.04 0.00 0.00 0.00 0.00 23.12 22.79 1tvg s ALA 107 CO 0.03 -0.23 0.13 -1.58 0.00 0.00 0.00 175.76 174.11 1tvg s HIS 108 N -0.96 3.34 0.00 0.00 2.46 -1.26 -3.63 115.29 115.24 1tvg s HIS 108 Ca -0.10 0.17 0.00 0.00 0.47 0.00 0.00 55.06 55.60 1tvg s HIS 108 Cb -0.05 -1.70 0.00 0.00 -0.13 0.00 0.00 32.58 30.71 1tvg s HIS 108 CO 0.03 0.56 0.00 0.41 -2.47 0.00 0.00 174.74 173.27 1tvg n GLY 110 N 0.54 1.46 3.86 1.59 0.00 -0.57 -4.97 105.19 107.10 1tvg n GLY 110 Ca -0.08 -0.06 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 1tvg n GLY 110 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1tvg s SER 111 N 0.00 6.72 -0.06 1.61 0.01 -1.26 -0.42 113.70 120.30 1tvg s SER 111 Ca 0.00 1.04 -0.29 0.00 1.31 0.00 0.00 55.95 58.01 1tvg s SER 111 Cb 0.00 -2.28 0.11 0.00 0.21 0.00 0.00 66.02 64.06 1tvg s SER 111 CO 0.00 -0.05 0.91 0.00 0.41 0.00 0.00 173.24 174.52 1tvg s ALA 112 N -1.75 -1.86 -0.03 1.44 0.00 -0.39 -4.74 121.76 114.43 1tvg s ALA 112 Ca 0.46 1.23 0.06 0.00 0.00 0.00 0.00 51.96 53.71 1tvg s ALA 112 Cb -0.12 0.02 -0.09 0.00 0.00 0.00 0.00 23.12 22.92 1tvg s ALA 112 CO 0.20 -0.54 0.09 0.25 0.00 0.00 0.00 175.76 175.76 1tvg n THR 113 N 0.15 0.18 -3.85 0.00 -2.24 0.14 -1.69 114.28 106.97 1tvg n THR 113 Ca -0.10 -0.20 -0.11 0.00 -2.27 0.00 0.00 64.05 61.37 1tvg n THR 113 Cb 0.60 -0.15 -0.09 0.00 -2.10 0.00 0.00 70.33 68.59 1tvg n THR 113 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1tvg s TYR 114 N -2.33 0.03 -0.04 4.78 1.51 -1.02 -2.03 117.35 118.25 1tvg s TYR 114 Ca -0.03 -0.19 0.03 0.00 -1.01 0.00 0.00 57.07 55.88 1tvg s TYR 114 Cb 0.03 -0.02 0.00 0.00 -0.11 0.00 0.00 41.96 41.86 1tvg s TYR 114 CO 0.27 -0.39 -0.13 -0.51 -1.11 0.00 0.00 175.55 173.68 1tvg s LEU 115 N -1.84 1.85 -0.21 -1.29 1.43 -0.58 -1.81 118.68 116.24 1tvg s LEU 115 Ca -0.08 -0.28 -0.04 0.00 -1.03 0.00 0.00 54.13 52.71 1tvg s LEU 115 Cb -0.03 -0.77 -0.01 0.00 0.03 0.00 0.00 46.19 45.40 1tvg s LEU 115 CO -0.02 0.11 -0.05 -0.60 0.23 0.00 0.00 176.35 176.03 1tvg s ARG 116 N 0.13 3.40 -0.24 1.70 3.52 0.02 -0.22 118.95 127.26 1tvg s ARG 116 Ca -0.04 -0.62 -0.06 0.00 -0.13 0.00 0.00 55.73 54.88 1tvg s ARG 116 Cb -0.10 -2.98 -0.02 0.00 -1.56 0.00 0.00 34.95 30.29 1tvg s ARG 116 CO 0.01 -0.13 0.03 -0.06 -0.81 0.00 0.00 175.30 174.34 1tvg s PHE 117 N 1.31 3.04 -0.22 5.12 0.40 0.16 -0.96 117.98 126.84 1tvg s PHE 117 Ca 0.04 -0.63 -0.04 0.00 -0.60 0.00 0.00 56.93 55.71 1tvg s PHE 117 Cb -0.14 -2.19 -0.00 0.00 0.51 0.00 0.00 43.02 41.19 1tvg s PHE 117 CO -0.02 -0.43 -0.05 0.42 0.70 0.00 0.00 175.22 175.84 1tvg s ILE 118 N 1.56 3.31 -0.70 0.64 1.01 0.63 -1.77 121.20 125.88 1tvg s ILE 118 Ca 0.06 -0.55 -0.21 0.00 0.00 0.00 0.00 60.65 59.94 1tvg s ILE 118 Cb -0.15 -2.52 0.09 0.00 0.01 0.00 0.00 42.46 39.89 1tvg s ILE 118 CO 0.01 0.40 0.95 -0.63 0.00 0.00 0.00 174.94 175.67 1tvg s ILE 119 N 1.46 4.49 0.18 2.92 1.01 0.71 -0.63 121.20 131.35 1tvg s ILE 119 Ca 0.05 -0.72 -0.08 0.00 0.00 0.00 0.00 60.65 59.91 1tvg s ILE 119 Cb -0.14 -4.67 0.00 0.00 0.01 0.00 0.00 42.46 37.66 1tvg s ILE 119 CO -0.04 -1.41 1.56 0.58 0.00 0.00 0.00 174.94 175.63 1tvg h VAL 120 N 5.94 1.27 -3.34 2.92 2.07 -1.35 -1.97 116.25 121.79 1tvg h VAL 120 Ca -0.20 -1.44 -0.03 0.00 0.82 0.00 0.00 66.70 65.86 1tvg h VAL 120 Cb 1.06 1.25 -0.11 0.00 -1.52 0.00 0.00 31.29 31.98 1tvg h VAL 120 CO 1.15 0.48 0.01 -0.94 0.02 0.00 0.00 177.57 178.29 1tvg s SER 121 N -6.77 -0.25 0.16 0.57 1.04 -1.21 -4.45 113.70 102.80 1tvg s SER 121 Ca -0.10 -0.48 0.03 0.00 0.48 0.00 0.00 55.95 55.88 1tvg s SER 121 Cb 0.12 0.56 -0.05 0.00 0.10 0.00 0.00 66.02 66.76 1tvg s SER 121 CO 0.86 -1.03 -0.05 0.00 0.98 0.00 0.00 173.24 174.00 1tvg s ALA 122 N -3.87 1.44 -1.65 5.32 0.00 -1.26 -1.13 121.76 120.61 1tvg s ALA 122 Ca 0.09 -1.55 0.30 0.00 0.00 0.00 0.00 51.96 50.80 1tvg s ALA 122 Cb -0.00 0.27 1.48 0.00 0.00 0.00 0.00 23.12 24.87 1tvg s ALA 122 CO -0.04 -0.20 2.01 1.19 0.00 0.00 0.00 175.76 178.73 1tvg n PHE 123 N -0.23 0.00 -3.02 0.00 3.72 0.83 -4.71 117.46 114.04 1tvg n PHE 123 Ca -0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 1tvg n PHE 123 Cb 0.62 -0.19 0.00 0.00 -0.94 0.00 0.00 39.48 38.97 1tvg n PHE 123 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1tvg n ASP 124 N -1.07 0.00 0.01 4.37 -0.08 -1.26 -5.02 116.55 113.49 1tvg n ASP 124 Ca 0.16 -0.37 0.10 0.00 -1.51 0.00 0.00 54.79 53.17 1tvg n ASP 124 Cb 0.23 0.00 0.42 0.00 2.34 0.00 0.00 41.12 44.12 1tvg n ASP 124 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 1tvg n HIS 125 N 0.00 0.06 -4.01 -0.67 8.25 -1.26 -4.82 115.22 112.77 1tvg n HIS 125 Ca 0.00 0.02 -0.10 0.00 -0.26 0.00 0.00 57.72 57.39 1tvg n HIS 125 Cb 0.00 -0.54 -0.06 0.00 1.12 0.00 0.00 29.99 30.51 1tvg n HIS 125 CO 0.00 0.00 0.00 -0.59 0.64 0.00 0.00 176.34 176.39 1tvg s PHE 126 N -3.02 0.47 0.06 4.41 -0.12 -1.26 -4.89 117.98 113.63 1tvg s PHE 126 Ca 0.09 -0.81 -0.05 0.00 -0.05 0.00 0.00 56.93 56.11 1tvg s PHE 126 Cb 0.13 0.02 -0.02 0.00 -0.63 0.00 0.00 43.02 42.52 1tvg s PHE 126 CO 0.37 -0.86 0.09 0.00 -0.05 0.00 0.00 175.22 174.77 1tvg s ALA 127 N -4.02 0.03 0.05 1.99 0.00 -1.26 -4.61 121.76 113.94 1tvg s ALA 127 Ca 0.23 -0.73 0.03 0.00 0.00 0.00 0.00 51.96 51.49 1tvg s ALA 127 Cb 0.02 0.32 -0.03 0.00 0.00 0.00 0.00 23.12 23.43 1tvg s ALA 127 CO 0.06 -0.39 -0.09 -1.12 0.00 0.00 0.00 175.76 174.23 1tvg s SER 128 N -2.53 1.04 -0.21 0.00 0.01 -0.08 -1.52 113.70 110.40 1tvg s SER 128 Ca 0.01 -0.56 0.01 0.00 1.31 0.00 0.00 55.95 56.72 1tvg s SER 128 Cb 0.03 0.02 0.05 0.00 0.21 0.00 0.00 66.02 66.32 1tvg s SER 128 CO -0.08 -0.17 -0.11 -0.69 0.41 0.00 0.00 173.24 172.60 1tvg s VAL 129 N -1.35 1.77 -0.02 3.43 1.01 -0.10 -1.19 120.40 123.96 1tvg s VAL 129 Ca -0.08 -1.14 -0.12 0.00 0.00 0.00 0.00 61.98 60.63 1tvg s VAL 129 Cb -0.10 -1.85 -0.32 0.00 0.00 0.00 0.00 36.38 34.11 1tvg s VAL 129 CO 0.01 0.14 0.80 0.45 0.00 0.00 0.00 175.10 176.50 1tvg h HIS 130 N 7.93 0.81 -1.95 5.22 3.86 -0.74 -1.64 115.15 128.64 1tvg h HIS 130 Ca -0.27 -0.59 -0.04 0.00 -1.16 0.00 0.00 60.37 58.31 1tvg h HIS 130 Cb 1.09 -0.03 -0.20 0.00 1.06 0.00 0.00 27.41 29.33 1tvg h HIS 130 CO 0.53 1.62 0.23 0.45 0.86 0.00 0.00 177.93 181.62 1tvg s SER 131 N -7.39 -0.63 -0.06 2.45 0.15 -0.73 -4.45 113.70 103.04 1tvg s SER 131 Ca -0.13 0.71 -0.00 0.00 0.70 0.00 0.00 55.95 57.23 1tvg s SER 131 Cb 0.05 0.55 0.03 0.00 -1.71 0.00 0.00 66.02 64.94 1tvg s SER 131 CO 0.89 -0.56 -0.02 -0.69 1.20 0.00 0.00 173.24 174.06 1tvg s VAL 132 N -1.11 0.47 0.10 4.45 1.01 -0.95 -0.67 120.40 123.70 1tvg s VAL 132 Ca -0.09 0.01 0.09 0.00 0.00 0.00 0.00 61.98 61.99 1tvg s VAL 132 Cb -0.00 -0.57 -0.03 0.00 0.00 0.00 0.00 36.38 35.77 1tvg s VAL 132 CO 0.09 0.25 -0.23 -0.44 0.00 0.00 0.00 175.10 174.77 1tvg s SER 133 N 1.59 2.73 -0.03 3.32 0.01 0.69 -1.00 113.70 121.01 1tvg s SER 133 Ca -0.01 -0.67 0.00 0.00 1.31 0.00 0.00 55.95 56.59 1tvg s SER 133 Cb -0.13 -0.18 0.03 0.00 0.21 0.00 0.00 66.02 65.95 1tvg s SER 133 CO -0.04 0.11 0.00 0.00 0.41 0.00 0.00 173.24 173.73 1tvg s ALA 134 N -1.06 0.34 -0.14 1.44 0.00 -0.99 -0.71 121.76 120.64 1tvg s ALA 134 Ca 0.09 0.14 -0.07 0.00 0.00 0.00 0.00 51.96 52.12 1tvg s ALA 134 Cb -0.10 -0.37 -0.04 0.00 0.00 0.00 0.00 23.12 22.61 1tvg s ALA 134 CO 0.04 -0.12 0.12 -2.00 0.00 0.00 0.00 175.76 173.80 1tvg s GLU 135 N 1.15 3.59 0.00 0.00 2.12 0.74 -1.61 118.70 124.69 1tvg s GLU 135 Ca -0.08 -0.19 0.00 0.00 0.36 0.00 0.00 54.97 55.06 1tvg s GLU 135 Cb -0.13 -3.21 0.00 0.00 0.26 0.00 0.00 34.13 31.05 1tvg s GLU 135 CO -0.02 0.64 0.00 0.41 -0.54 0.00 0.00 175.26 175.75 1tvg n GLY 136 N 2.42 -0.54 3.13 -1.50 0.00 -1.26 -0.48 105.19 106.97 1tvg n GLY 136 Ca -0.19 -0.85 -0.15 0.00 0.00 0.00 0.00 46.02 44.83 1tvg n GLY 136 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1tvg s THR 137 N -3.32 0.85 0.09 2.61 2.01 -0.50 -4.95 115.64 112.43 1tvg s THR 137 Ca 0.00 -1.31 -0.23 0.00 0.31 0.00 0.00 61.69 60.46 1tvg s THR 137 Cb 0.00 -0.98 -0.07 0.00 0.01 0.00 0.00 72.50 71.47 1tvg s THR 137 CO 0.00 -0.37 0.68 -0.69 -0.69 0.00 0.00 174.62 173.55 1tvg s VAL 138 N -1.62 4.64 -0.12 3.82 1.01 -1.26 -0.43 120.40 126.43 1tvg s VAL 138 Ca -0.03 1.47 -0.02 0.00 0.00 0.00 0.00 61.98 63.41 1tvg s VAL 138 Cb -0.08 -4.03 -0.03 0.00 0.00 0.00 0.00 36.38 32.24 1tvg s VAL 138 CO 0.01 0.48 -0.06 -0.69 0.00 0.00 0.00 175.10 174.84 1tvg s VAL 139 N -0.76 3.70 -2.66 2.92 1.01 0.10 -4.93 120.40 119.79 1tvg s VAL 139 Ca 0.34 -0.45 0.27 0.00 0.00 0.00 0.00 61.98 62.14 1tvg s VAL 139 Cb -0.21 -2.57 0.43 0.00 0.00 0.00 0.00 36.38 34.03 1tvg s VAL 139 CO 0.22 0.53 1.59 -1.20 0.00 0.00 0.00 175.10 176.24