#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mwp s LEU 29 N 0.00 4.19 0.83 2.23 1.43 -1.26 -4.97 118.68 121.13 1mwp s LEU 29 Ca 0.00 0.06 -0.12 0.00 -1.03 0.00 0.00 54.13 53.04 1mwp s LEU 29 Cb 0.00 -2.76 0.09 0.00 0.03 0.00 0.00 46.19 43.55 1mwp s LEU 29 CO 0.00 0.02 1.19 0.00 0.23 0.00 0.00 176.35 177.79 1mwp s ALA 30 N -1.82 2.55 0.02 4.21 0.00 -0.09 -5.03 121.76 121.60 1mwp s ALA 30 Ca 0.34 -0.69 -0.24 0.00 0.00 0.00 0.00 51.96 51.37 1mwp s ALA 30 Cb -0.10 -2.95 -0.05 0.00 0.00 0.00 0.00 23.12 20.02 1mwp s ALA 30 CO 0.27 -1.78 0.73 -2.00 0.00 0.00 0.00 175.76 172.97 1mwp s GLU 31 N -5.58 4.45 0.16 0.00 2.12 -1.26 -4.66 118.70 113.93 1mwp s GLU 31 Ca 0.63 0.98 -0.31 0.00 0.36 0.00 0.00 54.97 56.63 1mwp s GLU 31 Cb -0.11 -3.37 -0.09 0.00 0.26 0.00 0.00 34.13 30.82 1mwp s GLU 31 CO 0.50 0.26 1.50 -1.25 -0.54 0.00 0.00 175.26 175.73 1mwp s PRO 32 N 0.06 4.25 0.01 4.30 0.04 -1.26 -4.74 135.00 137.66 1mwp s PRO 32 Ca 0.37 2.27 -0.28 0.00 0.04 0.00 0.00 61.00 63.40 1mwp s PRO 32 Cb -0.20 -3.17 0.10 0.00 0.04 0.00 0.00 34.50 31.27 1mwp s PRO 32 CO 0.21 -0.53 0.84 1.14 0.04 0.00 0.00 177.00 178.69 1mwp s GLN 33 N 0.92 0.90 0.15 4.56 -2.07 -1.26 -1.38 119.66 121.47 1mwp s GLN 33 Ca 0.67 -0.28 0.07 0.00 -1.82 0.00 0.00 55.36 54.01 1mwp s GLN 33 Cb -0.42 0.41 -0.04 0.00 -1.09 0.00 0.00 33.01 31.88 1mwp s GLN 33 CO 0.33 -0.38 -0.16 0.96 -1.32 0.00 0.00 175.29 174.71 1mwp s ILE 34 N -3.01 1.60 0.00 3.63 -5.25 -0.32 -0.99 121.20 116.86 1mwp s ILE 34 Ca 0.03 -1.83 0.01 0.00 -0.99 0.00 0.00 60.65 57.87 1mwp s ILE 34 Cb -0.01 -1.71 -0.01 0.00 2.95 0.00 0.00 42.46 43.69 1mwp s ILE 34 CO -0.08 -0.36 -0.04 0.00 -1.79 0.00 0.00 174.94 172.66 1mwp s ALA 35 N -2.10 0.35 0.05 2.27 0.00 0.55 -0.56 121.76 122.32 1mwp s ALA 35 Ca 0.13 -0.24 0.06 0.00 0.00 0.00 0.00 51.96 51.91 1mwp s ALA 35 Cb -0.05 -0.07 -0.03 0.00 0.00 0.00 0.00 23.12 22.97 1mwp s ALA 35 CO 0.05 0.07 -0.17 -1.64 0.00 0.00 0.00 175.76 174.06 1mwp s MET 36 N -0.26 1.09 -0.28 0.00 -1.94 -1.26 -0.79 119.30 115.86 1mwp s MET 36 Ca 0.00 -0.90 -0.00 0.00 -1.71 0.00 0.00 55.69 53.08 1mwp s MET 36 Cb -0.03 -1.18 0.14 0.00 2.01 0.00 0.00 34.83 35.78 1mwp s MET 36 CO -0.00 0.29 0.34 0.12 -0.01 0.00 0.00 175.02 175.75 1mwp s PHE 37 N -0.93 -0.67 0.16 -0.03 5.36 -1.26 -4.92 117.98 115.69 1mwp s PHE 37 Ca 0.04 0.16 -0.34 0.00 -0.96 0.00 0.00 56.93 55.83 1mwp s PHE 37 Cb -0.09 -0.29 -0.15 0.00 -0.34 0.00 0.00 43.02 42.15 1mwp s PHE 37 CO 0.02 -0.89 1.32 0.00 -1.46 0.00 0.00 175.22 174.21 1mwp n GLY 39 N 2.38 1.46 3.22 0.00 0.00 -1.26 -5.03 105.19 105.97 1mwp n GLY 39 Ca 0.15 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.02 1mwp n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1mwp s ARG 40 N -0.77 0.97 0.57 1.61 1.81 -0.34 -4.86 118.95 117.94 1mwp s ARG 40 Ca 0.00 -1.25 -0.19 0.00 -1.72 0.00 0.00 55.73 52.57 1mwp s ARG 40 Cb 0.00 -0.71 -0.05 0.00 -0.45 0.00 0.00 34.95 33.74 1mwp s ARG 40 CO 0.00 0.12 1.15 -0.51 -0.68 0.00 0.00 175.30 175.38 1mwp s LEU 41 N -2.60 3.69 0.58 2.53 1.43 0.06 -4.24 118.68 120.13 1mwp s LEU 41 Ca 0.09 2.24 -0.19 0.00 -1.03 0.00 0.00 54.13 55.23 1mwp s LEU 41 Cb -0.03 -4.58 -0.04 0.00 0.03 0.00 0.00 46.19 41.57 1mwp s LEU 41 CO 0.01 -1.39 1.24 0.20 0.23 0.00 0.00 176.35 176.65 1mwp s ASN 42 N -1.77 5.19 0.24 2.29 0.01 0.34 -4.61 114.94 116.62 1mwp s ASN 42 Ca 0.74 2.47 0.09 0.00 -0.71 0.00 0.00 52.86 55.45 1mwp s ASN 42 Cb -0.26 -2.61 -0.04 0.00 0.41 0.00 0.00 41.25 38.75 1mwp s ASN 42 CO 0.30 -1.60 -0.00 -0.04 -1.51 0.00 0.00 177.10 174.25 1mwp s MET 43 N -3.23 2.32 0.05 -0.60 -1.94 0.03 -1.57 119.30 114.36 1mwp s MET 43 Ca 0.76 -1.33 -0.11 0.00 -1.71 0.00 0.00 55.69 53.30 1mwp s MET 43 Cb -0.33 -2.22 0.01 0.00 2.01 0.00 0.00 34.83 34.31 1mwp s MET 43 CO 0.36 0.39 0.25 -3.38 -0.01 0.00 0.00 175.02 172.63 1mwp s HIS 44 N -2.14 -0.01 -0.09 -0.03 -3.43 -0.03 -0.33 115.29 109.23 1mwp s HIS 44 Ca 0.30 -0.19 -0.30 0.00 -0.80 0.00 0.00 55.06 54.07 1mwp s HIS 44 Cb -0.07 0.03 -0.02 0.00 -1.43 0.00 0.00 32.58 31.09 1mwp s HIS 44 CO 0.19 -0.48 1.06 1.41 -2.00 0.00 0.00 174.74 174.92 1mwp s MET 45 N -2.71 4.40 -0.64 -0.38 1.75 -0.16 -0.48 119.30 121.08 1mwp s MET 45 Ca -0.04 1.46 -0.26 0.00 -1.25 0.00 0.00 55.69 55.61 1mwp s MET 45 Cb -0.00 -3.55 0.04 0.00 2.84 0.00 0.00 34.83 34.16 1mwp s MET 45 CO -0.04 -0.35 1.11 1.21 -0.65 0.00 0.00 175.02 176.29 1mwp s ASN 46 N 1.19 6.27 0.57 1.11 3.84 0.51 -4.65 114.94 123.78 1mwp s ASN 46 Ca 0.50 -0.44 0.29 0.00 0.21 0.00 0.00 52.86 53.43 1mwp s ASN 46 Cb -0.20 -2.50 1.74 0.00 -0.55 0.00 0.00 41.25 39.74 1mwp s ASN 46 CO 0.19 -1.52 2.21 -0.37 -2.79 0.00 0.00 177.10 174.82 1mwp h VAL 47 N 6.04 0.54 -0.17 -5.21 -1.51 -1.87 0.57 116.25 114.64 1mwp h VAL 47 Ca -0.27 -0.13 -0.11 0.00 -1.23 0.00 0.00 66.70 64.96 1mwp h VAL 47 Cb 1.06 1.08 0.00 0.00 -2.13 0.00 0.00 31.29 31.31 1mwp h VAL 47 CO 1.19 0.03 -0.31 -0.61 -1.23 0.00 0.00 177.57 176.64 1mwp h GLN 48 N 0.00 0.51 -0.00 5.19 -0.00 -1.90 -0.20 115.11 118.71 1mwp h GLN 48 Ca -0.00 -0.32 0.00 0.00 -0.00 0.00 0.00 58.65 58.33 1mwp h GLN 48 Cb 0.08 0.04 0.00 0.00 0.00 0.00 0.00 27.48 27.60 1mwp h GLN 48 CO 0.00 0.93 -0.05 0.27 0.00 0.00 0.00 178.83 179.98 1mwp n ASN 49 N -4.35 1.13 -0.22 -0.69 0.23 -1.08 -4.89 115.26 105.38 1mwp n ASN 49 Ca -0.06 -1.06 -0.03 0.00 -0.53 0.00 0.00 54.58 52.90 1mwp n ASN 49 Cb 0.48 0.25 -0.01 0.00 -2.08 0.00 0.00 39.78 38.41 1mwp n ASN 49 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1mwp n GLY 50 N 0.49 0.57 3.90 4.83 0.00 0.20 -5.02 105.19 110.16 1mwp n GLY 50 Ca 0.02 -0.28 -0.22 0.00 0.00 0.00 0.00 46.02 45.54 1mwp n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mwp s LYS 51 N -1.47 3.21 -0.21 1.61 -0.14 -1.24 -4.83 119.74 116.67 1mwp s LYS 51 Ca 0.00 -0.87 -0.20 0.00 -1.36 0.00 0.00 55.97 53.53 1mwp s LYS 51 Cb 0.00 -2.75 -0.02 0.00 -1.68 0.00 0.00 37.83 33.38 1mwp s LYS 51 CO 0.00 0.43 0.62 -1.58 -0.76 0.00 0.00 175.35 174.06 1mwp s TRP 52 N -2.02 3.35 0.11 3.18 0.52 -1.26 -0.36 118.94 122.46 1mwp s TRP 52 Ca 0.33 0.88 0.04 0.00 0.02 0.00 0.00 56.10 57.38 1mwp s TRP 52 Cb -0.09 -2.80 -0.04 0.00 -1.15 0.00 0.00 33.47 29.39 1mwp s TRP 52 CO 0.27 -0.22 0.08 -0.51 0.02 0.00 0.00 176.95 176.60 1mwp s ASP 53 N 1.28 5.41 0.88 2.95 1.01 0.37 -4.88 116.67 123.70 1mwp s ASP 53 Ca 0.28 -0.09 -0.13 0.00 0.71 0.00 0.00 52.55 53.31 1mwp s ASP 53 Cb -0.16 -1.40 0.13 0.00 1.01 0.00 0.00 42.92 42.50 1mwp s ASP 53 CO 0.10 0.13 1.20 -0.55 0.21 0.00 0.00 175.17 176.26 1mwp s SER 54 N -2.64 3.81 -0.02 0.27 0.15 -1.26 -0.85 113.70 113.15 1mwp s SER 54 Ca 0.29 0.69 -0.31 0.00 0.70 0.00 0.00 55.95 57.32 1mwp s SER 54 Cb -0.11 -1.07 -0.09 0.00 -1.71 0.00 0.00 66.02 63.03 1mwp s SER 54 CO 0.22 -2.34 1.99 -0.67 1.20 0.00 0.00 173.24 173.64 1mwp n ASP 55 N -3.58 3.90 -0.31 5.45 2.03 -0.61 -4.78 116.55 118.65 1mwp n ASP 55 Ca 0.10 0.82 0.14 0.00 0.52 0.00 0.00 54.79 56.37 1mwp n ASP 55 Cb 0.60 -1.50 0.32 0.00 -0.72 0.00 0.00 41.12 39.82 1mwp n ASP 55 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1mwp h PRO 56 N 10.91 0.39 0.00 -0.67 0.11 -1.92 0.69 132.00 141.50 1mwp h PRO 56 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1mwp h PRO 56 Cb 1.25 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1mwp h PRO 56 CO 0.95 0.26 -0.10 0.66 -0.21 0.00 0.00 178.00 179.55 1mwp h SER 57 N 0.40 0.00 -0.35 -2.05 4.64 -2.00 -3.47 113.55 110.71 1mwp h SER 57 Ca 0.57 -0.02 -0.15 0.00 -0.47 0.00 0.00 61.79 61.72 1mwp h SER 57 Cb 1.09 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.12 1mwp h SER 57 CO -0.53 0.01 -0.14 0.61 -0.87 0.00 0.00 176.83 175.91 1mwp n GLY 58 N 1.22 0.94 0.00 -0.77 0.00 0.23 -4.79 105.19 102.02 1mwp n GLY 58 Ca 0.04 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.35 1mwp n GLY 58 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1mwp n THR 59 N -2.79 0.00 -2.72 2.61 -2.24 -1.26 -0.48 114.28 107.39 1mwp n THR 59 Ca -0.07 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.28 1mwp n THR 59 Cb 0.24 0.12 -0.03 0.00 -2.10 0.00 0.00 70.33 68.56 1mwp n THR 59 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1mwp s LYS 60 N -1.60 4.37 0.13 -0.78 -0.14 -1.26 -5.02 119.74 115.44 1mwp s LYS 60 Ca 0.00 1.32 0.01 0.00 -1.36 0.00 0.00 55.97 55.93 1mwp s LYS 60 Cb 0.00 -3.57 0.01 0.00 -1.68 0.00 0.00 37.83 32.59 1mwp s LYS 60 CO 0.00 -0.38 0.05 -2.37 -0.76 0.00 0.00 175.35 171.89 1mwp n THR 61 N 4.73 0.00 -1.55 2.17 5.66 -1.26 -0.51 114.28 123.52 1mwp n THR 61 Ca 0.09 -0.58 -0.46 0.00 -3.05 0.00 0.00 64.05 60.05 1mwp n THR 61 Cb 0.48 -0.13 -0.02 0.00 -1.55 0.00 0.00 70.33 69.11 1mwp n THR 61 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1mwp s ILE 63 N -0.91 2.84 -1.62 0.00 1.01 -1.26 -5.01 121.20 116.25 1mwp s ILE 63 Ca 0.62 -0.83 0.16 0.00 0.00 0.00 0.00 60.65 60.60 1mwp s ILE 63 Cb -0.77 -2.09 0.34 0.00 0.01 0.00 0.00 42.46 39.95 1mwp s ILE 63 CO 0.58 0.58 1.25 -0.90 0.00 0.00 0.00 174.94 176.45 1mwp n ASP 64 N 2.29 3.03 -4.31 3.58 5.68 -1.26 -4.93 116.55 120.63 1mwp n ASP 64 Ca -0.17 -1.89 -0.25 0.00 -0.50 0.00 0.00 54.79 51.98 1mwp n ASP 64 Cb 0.52 -0.22 -0.13 0.00 -1.14 0.00 0.00 41.12 40.15 1mwp n ASP 64 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 1mwp s THR 65 N -1.13 1.84 0.26 2.12 -4.23 -1.26 -5.03 115.64 108.20 1mwp s THR 65 Ca 0.29 -1.55 -0.04 0.00 -1.18 0.00 0.00 61.69 59.22 1mwp s THR 65 Cb 0.16 -1.65 0.19 0.00 1.34 0.00 0.00 72.50 72.55 1mwp s THR 65 CO 0.22 0.02 1.85 0.50 -0.54 0.00 0.00 174.62 176.67 1mwp h LYS 66 N 4.15 1.07 -0.79 3.99 3.64 -1.99 -1.95 116.57 124.68 1mwp h LYS 66 Ca -0.47 -0.15 -0.05 0.00 -1.27 0.00 0.00 60.65 58.71 1mwp h LYS 66 Cb 1.17 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 32.77 1mwp h LYS 66 CO 0.40 0.83 0.29 0.93 -2.27 0.00 0.00 179.45 179.63 1mwp h GLU 67 N 1.06 1.19 -0.29 1.90 3.07 -1.99 -0.95 114.58 118.57 1mwp h GLU 67 Ca 0.26 -0.23 -0.08 0.00 -0.50 0.00 0.00 59.36 58.80 1mwp h GLU 67 Cb 0.12 -0.19 -0.02 0.00 -0.84 0.00 0.00 28.75 27.83 1mwp h GLU 67 CO -0.03 0.98 -0.18 0.78 -1.40 0.00 0.00 179.01 179.16 1mwp h GLY 68 N 1.15 0.55 1.10 -3.84 0.00 -1.87 -1.05 103.07 99.11 1mwp h GLY 68 Ca 0.26 -0.42 -0.15 0.00 0.00 0.00 0.00 47.33 47.02 1mwp h GLY 68 CO -0.02 0.38 -0.35 -2.22 0.00 0.00 0.00 176.54 174.34 1mwp h ILE 69 N 0.46 1.28 -0.43 2.60 2.04 -0.83 -1.26 117.51 121.37 1mwp h ILE 69 Ca 0.08 -1.52 -0.03 0.00 1.00 0.00 0.00 64.86 64.39 1mwp h ILE 69 Cb 0.58 1.39 -0.02 0.00 -0.74 0.00 0.00 36.82 38.03 1mwp h ILE 69 CO 0.04 0.51 0.17 0.25 0.00 0.00 0.00 178.15 179.12 1mwp h LEU 70 N 0.72 0.60 -0.87 1.44 5.85 -0.91 -0.67 115.31 121.46 1mwp h LEU 70 Ca 0.06 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.61 1mwp h LEU 70 Cb 0.94 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.77 1mwp h LEU 70 CO 0.09 0.60 0.54 1.56 -0.34 0.00 0.00 178.44 180.89 1mwp h GLN 71 N 0.55 1.17 -0.56 1.25 4.20 -1.04 -1.19 115.11 119.49 1mwp h GLN 71 Ca 0.14 -0.10 -0.04 0.00 0.06 0.00 0.00 58.65 58.72 1mwp h GLN 71 Cb 0.19 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 1mwp h GLN 71 CO -0.01 0.81 0.21 -0.92 -0.67 0.00 0.00 178.83 178.24 1mwp h TYR 72 N 1.19 0.87 -0.64 2.96 3.20 -0.85 0.48 116.97 124.17 1mwp h TYR 72 Ca 0.31 -0.07 0.06 0.00 3.14 0.00 0.00 58.73 62.17 1mwp h TYR 72 Cb -0.07 -0.26 -0.06 0.00 1.54 0.00 0.00 36.73 37.89 1mwp h TYR 72 CO -0.00 0.71 0.34 0.00 -1.64 0.00 0.00 178.16 177.57 1mwp h GLN 74 N 0.63 0.00 -0.16 0.00 4.20 -0.67 -0.25 115.11 118.86 1mwp h GLN 74 Ca 0.29 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.86 1mwp h GLN 74 Cb 0.21 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.99 1mwp h GLN 74 CO -0.20 0.31 -0.46 1.49 -0.67 0.00 0.00 178.83 179.30 1mwp h GLU 75 N 0.00 0.60 0.00 1.46 4.81 0.63 -2.79 114.58 119.29 1mwp h GLU 75 Ca -0.00 -0.43 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 1mwp h GLU 75 Cb 0.60 0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.05 1mwp h GLU 75 CO 0.04 1.05 -0.55 -0.39 -0.73 0.00 0.00 179.01 178.42 1mwp h VAL 76 N 0.25 0.00 -2.13 0.32 -1.51 -1.11 -3.36 116.25 108.71 1mwp h VAL 76 Ca -0.01 -0.75 -0.57 0.00 -1.23 0.00 0.00 66.70 64.14 1mwp h VAL 76 Cb 1.08 1.44 -0.41 0.00 -2.13 0.00 0.00 31.29 31.27 1mwp h VAL 76 CO 0.10 0.00 -0.84 -1.22 -1.23 0.00 0.00 177.57 174.38 1mwp n TYR 77 N -2.51 2.13 0.00 5.19 4.01 -0.12 -4.97 117.16 120.91 1mwp n TYR 77 Ca 0.03 -3.91 0.16 0.00 -0.16 0.00 0.00 57.90 54.01 1mwp n TYR 77 Cb 0.49 -0.47 0.62 0.00 -0.31 0.00 0.00 39.34 39.67 1mwp n TYR 77 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1mwp h PRO 78 N 3.66 0.14 -0.46 -0.72 0.13 -1.66 -2.90 132.00 130.19 1mwp h PRO 78 Ca 0.13 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1mwp h PRO 78 Cb 0.73 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.83 1mwp h PRO 78 CO 0.68 0.09 0.00 0.39 -0.23 0.00 0.00 178.00 178.93 1mwp n GLU 79 N -4.43 3.08 -0.18 0.86 -0.58 -1.26 -4.59 120.64 113.54 1mwp n GLU 79 Ca 0.08 -2.49 0.11 0.00 -0.42 0.00 0.00 57.16 54.44 1mwp n GLU 79 Cb 0.46 -1.57 0.26 0.00 -0.57 0.00 0.00 31.44 30.01 1mwp n GLU 79 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1mwp n LEU 80 N 0.65 3.04 -3.83 -4.62 4.77 -1.09 -4.97 117.00 110.95 1mwp n LEU 80 Ca 0.19 -1.33 -0.24 0.00 -0.03 0.00 0.00 56.01 54.60 1mwp n LEU 80 Cb 0.65 -0.24 0.01 0.00 -2.33 0.00 0.00 43.42 41.52 1mwp n LEU 80 CO 0.14 0.66 -0.11 0.00 -1.33 0.00 0.00 177.39 176.76 1mwp n GLN 81 N 1.22 -4.36 -2.39 3.23 6.02 -1.26 -4.52 117.38 115.32 1mwp n GLN 81 Ca 0.19 0.54 -0.42 0.00 -0.01 0.00 0.00 57.00 57.29 1mwp n GLN 81 Cb 0.54 -4.98 -0.03 0.00 1.02 0.00 0.00 30.24 26.79 1mwp n GLN 81 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1mwp s ILE 82 N -3.72 4.12 0.00 5.09 -1.09 -1.26 -0.00 121.20 124.34 1mwp s ILE 82 Ca 0.09 1.44 0.00 0.00 -2.23 0.00 0.00 60.65 59.95 1mwp s ILE 82 Cb -0.05 -3.93 0.00 0.00 -1.58 0.00 0.00 42.46 36.91 1mwp s ILE 82 CO 0.84 -0.04 0.14 0.35 -1.23 0.00 0.00 174.94 175.01 1mwp n THR 83 N 4.84 0.00 -3.85 2.92 -2.24 -0.19 -4.84 114.28 110.92 1mwp n THR 83 Ca 0.12 -0.45 -0.09 0.00 -2.27 0.00 0.00 64.05 61.36 1mwp n THR 83 Cb 0.45 1.03 -0.04 0.00 -2.10 0.00 0.00 70.33 69.67 1mwp n THR 83 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1mwp s ASN 84 N -0.62 -0.20 0.03 3.42 2.47 -1.15 -5.01 114.94 113.87 1mwp s ASN 84 Ca 0.00 -0.66 -0.03 0.00 0.42 0.00 0.00 52.86 52.60 1mwp s ASN 84 Cb 0.00 0.61 -0.02 0.00 -1.45 0.00 0.00 41.25 40.39 1mwp s ASN 84 CO 0.00 -1.13 0.03 0.68 -3.72 0.00 0.00 177.10 172.96 1mwp s VAL 85 N -3.93 0.13 -0.16 -5.21 -7.23 -1.26 -0.40 120.40 102.34 1mwp s VAL 85 Ca 0.14 -1.06 -0.21 0.00 -1.81 0.00 0.00 61.98 59.04 1mwp s VAL 85 Cb -0.02 -0.66 0.05 0.00 0.56 0.00 0.00 36.38 36.32 1mwp s VAL 85 CO 0.03 -0.59 0.55 0.54 -0.31 0.00 0.00 175.10 175.32 1mwp s VAL 86 N -2.14 0.01 0.34 1.32 0.11 -0.99 -4.97 120.40 114.07 1mwp s VAL 86 Ca -0.09 -0.06 -0.29 0.00 -2.93 0.00 0.00 61.98 58.61 1mwp s VAL 86 Cb -0.04 -0.80 -0.11 0.00 -1.53 0.00 0.00 36.38 33.90 1mwp s VAL 86 CO -0.03 -0.03 1.54 -1.61 -3.33 0.00 0.00 175.10 171.64 1mwp s GLU 87 N -0.15 4.11 0.90 1.54 2.02 -1.26 -0.22 118.70 125.64 1mwp s GLU 87 Ca -0.03 2.58 -0.11 0.00 0.02 0.00 0.00 54.97 57.42 1mwp s GLU 87 Cb -0.03 -2.99 0.13 0.00 0.10 0.00 0.00 34.13 31.33 1mwp s GLU 87 CO 0.03 -0.58 1.09 0.00 0.02 0.00 0.00 175.26 175.82 1mwp s ALA 88 N -0.57 1.53 0.11 5.21 0.00 0.64 -4.77 121.76 123.90 1mwp s ALA 88 Ca 0.58 -0.04 -0.05 0.00 0.00 0.00 0.00 51.96 52.45 1mwp s ALA 88 Cb -0.47 -3.20 -0.17 0.00 0.00 0.00 0.00 23.12 19.28 1mwp s ALA 88 CO 0.56 -2.37 1.23 -0.91 0.00 0.00 0.00 175.76 174.27 1mwp h ASN 89 N -1.56 0.52 -3.91 0.00 2.35 -1.93 -3.46 115.58 107.58 1mwp h ASN 89 Ca -0.49 -0.47 -0.68 0.00 -0.55 0.00 0.00 56.30 54.11 1mwp h ASN 89 Cb 1.28 -0.16 -0.21 0.00 0.05 0.00 0.00 38.32 39.28 1mwp h ASN 89 CO 0.54 1.30 -0.80 -1.10 -1.65 0.00 0.00 177.43 175.72 1mwp s GLN 90 N -3.03 2.06 0.60 0.81 -1.52 -1.26 -5.12 119.66 112.21 1mwp s GLN 90 Ca -0.05 -0.99 -0.16 0.00 -1.95 0.00 0.00 55.36 52.20 1mwp s GLN 90 Cb 0.08 -2.20 -0.03 0.00 -0.22 0.00 0.00 33.01 30.64 1mwp s GLN 90 CO 0.88 0.53 1.08 -1.25 -0.25 0.00 0.00 175.29 176.28 1mwp s PRO 91 N -1.54 3.20 -0.04 2.91 0.04 -1.26 -4.49 135.00 133.82 1mwp s PRO 91 Ca 0.15 1.29 0.02 0.00 0.04 0.00 0.00 61.00 62.50 1mwp s PRO 91 Cb -0.11 -2.01 0.01 0.00 0.04 0.00 0.00 34.50 32.44 1mwp s PRO 91 CO 0.06 -0.92 -0.07 0.08 0.04 0.00 0.00 177.00 176.19 1mwp s VAL 92 N -2.35 0.73 -0.07 -0.36 1.01 0.11 -4.93 120.40 114.54 1mwp s VAL 92 Ca 0.65 -0.27 -0.24 0.00 0.00 0.00 0.00 61.98 62.12 1mwp s VAL 92 Cb -0.18 -0.69 -0.03 0.00 0.00 0.00 0.00 36.38 35.48 1mwp s VAL 92 CO 0.37 0.25 0.73 -0.89 0.00 0.00 0.00 175.10 175.56 1mwp s THR 93 N 0.59 5.02 -0.04 3.92 2.01 -1.26 -1.34 115.64 124.55 1mwp s THR 93 Ca -0.09 1.51 0.03 0.00 0.31 0.00 0.00 61.69 63.44 1mwp s THR 93 Cb -0.12 -4.07 0.01 0.00 0.01 0.00 0.00 72.50 68.32 1mwp s THR 93 CO 0.01 0.23 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.43 1mwp s ILE 94 N 0.92 0.93 0.44 1.82 1.01 -0.00 -4.94 121.20 121.37 1mwp s ILE 94 Ca 0.39 -0.42 0.07 0.00 0.00 0.00 0.00 60.65 60.69 1mwp s ILE 94 Cb -0.18 -0.83 -0.02 0.00 0.01 0.00 0.00 42.46 41.44 1mwp s ILE 94 CO 0.19 0.29 0.36 -1.10 0.00 0.00 0.00 174.94 174.67 1mwp s GLN 95 N 0.31 2.43 -0.77 2.79 -0.21 -1.26 -1.50 119.66 121.46 1mwp s GLN 95 Ca -0.06 -1.66 -0.04 0.00 0.02 0.00 0.00 55.36 53.61 1mwp s GLN 95 Cb -0.11 -2.27 0.00 0.00 1.00 0.00 0.00 33.01 31.63 1mwp s GLN 95 CO 0.01 -0.26 0.56 0.09 -2.12 0.00 0.00 175.29 173.58 1mwp n ASN 96 N -1.54 -4.31 -4.76 5.90 3.02 -0.93 -5.00 115.26 107.64 1mwp n ASN 96 Ca 0.02 -0.26 -0.40 0.00 -0.03 0.00 0.00 54.58 53.92 1mwp n ASN 96 Cb 0.63 -2.96 -0.04 0.00 -0.61 0.00 0.00 39.78 36.79 1mwp n ASN 96 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1mwp s TRP 97 N -3.10 3.55 0.40 3.10 0.52 -1.06 -4.79 118.94 117.56 1mwp s TRP 97 Ca 0.28 1.69 0.08 0.00 0.02 0.00 0.00 56.10 58.17 1mwp s TRP 97 Cb -0.12 -3.28 -0.05 0.00 -1.15 0.00 0.00 33.47 28.87 1mwp s TRP 97 CO 0.35 -0.57 0.19 0.00 0.02 0.00 0.00 176.95 176.93 1mwp s LYS 99 N -3.91 2.22 0.02 0.00 1.02 0.13 -0.76 119.74 118.46 1mwp s LYS 99 Ca 0.41 -1.74 -0.08 0.00 0.02 0.00 0.00 55.97 54.58 1mwp s LYS 99 Cb 0.02 -2.01 -0.04 0.00 -0.52 0.00 0.00 37.83 35.28 1mwp s LYS 99 CO 0.23 0.02 0.18 -2.13 -0.92 0.00 0.00 175.35 172.72 1mwp n ARG 100 N -1.13 0.00 -1.00 1.68 3.00 -1.26 -1.07 116.66 116.87 1mwp n ARG 100 Ca -0.03 0.00 -0.00 0.00 -0.00 0.00 0.00 57.85 57.82 1mwp n ARG 100 Cb 0.63 -0.28 -0.00 0.00 0.00 0.00 0.00 32.46 32.81 1mwp n ARG 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1mwp n GLY 101 N 0.39 0.38 3.00 5.14 0.00 0.36 -2.89 105.19 111.57 1mwp n GLY 101 Ca 0.04 -0.02 -0.20 0.00 0.00 0.00 0.00 46.02 45.85 1mwp n GLY 101 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mwp n ARG 102 N -1.98 -5.14 -3.75 1.61 1.74 -0.53 -4.94 116.66 103.67 1mwp n ARG 102 Ca -0.00 0.77 -0.21 0.00 -0.77 0.00 0.00 57.85 57.64 1mwp n ARG 102 Cb 0.13 -5.41 -0.03 0.00 -1.02 0.00 0.00 32.46 26.13 1mwp n ARG 102 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 1mwp s LYS 103 N -5.74 2.86 -1.41 5.56 0.00 -0.24 -4.63 119.74 116.14 1mwp s LYS 103 Ca 0.34 -1.19 -0.00 0.00 0.00 0.00 0.00 55.97 55.12 1mwp s LYS 103 Cb -0.15 -2.58 0.00 0.00 0.00 0.00 0.00 37.83 35.10 1mwp s LYS 103 CO 0.43 0.12 0.40 1.04 0.00 0.00 0.00 175.35 177.33 1mwp n GLN 104 N -1.43 -3.18 -2.52 1.78 6.02 -1.26 -0.69 117.38 116.09 1mwp n GLN 104 Ca -0.02 0.39 -0.41 0.00 -0.01 0.00 0.00 57.00 56.96 1mwp n GLN 104 Cb 0.59 -4.48 -0.02 0.00 1.02 0.00 0.00 30.24 27.35 1mwp n GLN 104 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1mwp s LYS 106 N 4.86 2.32 0.00 0.00 1.02 -1.01 -4.73 119.74 122.21 1mwp s LYS 106 Ca 0.51 1.71 0.18 0.00 0.02 0.00 0.00 55.97 58.39 1mwp s LYS 106 Cb 0.01 -1.86 0.51 0.00 -0.52 0.00 0.00 37.83 35.97 1mwp s LYS 106 CO -0.02 -1.68 1.42 0.25 -0.92 0.00 0.00 175.35 174.40 1mwp n THR 107 N -2.55 0.75 -1.95 2.17 -2.24 -1.26 -2.20 114.28 107.00 1mwp n THR 107 Ca 0.13 -0.76 -0.41 0.00 -2.27 0.00 0.00 64.05 60.74 1mwp n THR 107 Cb 0.50 0.39 -0.02 0.00 -2.10 0.00 0.00 70.33 69.11 1mwp n THR 107 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1mwp s HIS 108 N -1.25 2.89 0.16 4.78 5.04 -1.26 -4.24 115.29 121.42 1mwp s HIS 108 Ca 0.38 1.08 -0.27 0.00 -1.54 0.00 0.00 55.06 54.71 1mwp s HIS 108 Cb 0.20 -3.88 -0.08 0.00 0.04 0.00 0.00 32.58 28.86 1mwp s HIS 108 CO 0.26 -2.76 0.85 -1.25 -2.34 0.00 0.00 174.74 169.50 1mwp s PRO 109 N -0.99 4.66 -0.04 2.88 0.04 -1.26 -4.20 135.00 136.09 1mwp s PRO 109 Ca 0.57 1.29 0.01 0.00 0.04 0.00 0.00 61.00 62.90 1mwp s PRO 109 Cb -0.43 -3.30 0.02 0.00 0.04 0.00 0.00 34.50 30.83 1mwp s PRO 109 CO 0.50 0.47 -0.03 -1.01 0.04 0.00 0.00 177.00 176.97 1mwp s HIS 110 N -0.85 0.63 -0.09 0.56 3.76 -0.56 -4.94 115.29 113.81 1mwp s HIS 110 Ca 0.39 -0.15 -0.03 0.00 -0.15 0.00 0.00 55.06 55.12 1mwp s HIS 110 Cb -0.24 -0.62 -0.03 0.00 1.11 0.00 0.00 32.58 32.80 1mwp s HIS 110 CO 0.28 -0.19 0.02 -0.59 -0.85 0.00 0.00 174.74 173.41 1mwp s PHE 111 N 1.07 3.21 0.23 1.40 -0.12 -1.26 -0.82 117.98 121.70 1mwp s PHE 111 Ca -0.09 0.23 -0.03 0.00 -0.05 0.00 0.00 56.93 57.00 1mwp s PHE 111 Cb -0.14 -1.81 -0.03 0.00 -0.63 0.00 0.00 43.02 40.41 1mwp s PHE 111 CO -0.01 0.49 0.23 0.14 -0.05 0.00 0.00 175.22 176.03 1mwp s VAL 112 N -0.87 0.00 -0.39 -2.49 -7.23 -0.45 -4.88 120.40 104.09 1mwp s VAL 112 Ca 0.13 -1.86 -0.16 0.00 -1.81 0.00 0.00 61.98 58.28 1mwp s VAL 112 Cb -0.11 -2.45 0.01 0.00 0.56 0.00 0.00 36.38 34.38 1mwp s VAL 112 CO 0.02 0.00 0.40 -0.63 -0.31 0.00 0.00 175.10 174.59 1mwp s ILE 113 N -4.00 5.13 0.90 -0.62 -1.09 -1.26 0.07 121.20 120.33 1mwp s ILE 113 Ca 0.36 -0.19 -0.12 0.00 -2.23 0.00 0.00 60.65 58.47 1mwp s ILE 113 Cb 0.05 -3.94 0.13 0.00 -1.58 0.00 0.00 42.46 37.11 1mwp s ILE 113 CO 0.14 -0.28 1.10 -2.84 -1.23 0.00 0.00 174.94 171.83 1mwp s PRO 114 N 2.07 1.23 -0.21 2.79 0.02 -1.26 -4.80 135.00 134.84 1mwp s PRO 114 Ca 0.12 0.57 -0.04 0.00 0.02 0.00 0.00 61.00 61.67 1mwp s PRO 114 Cb -0.17 -1.83 -0.01 0.00 0.02 0.00 0.00 34.50 32.51 1mwp s PRO 114 CO 0.13 -2.20 -0.04 0.71 -0.33 0.00 0.00 177.00 175.27 1mwp s TYR 115 N -3.08 2.96 0.14 6.54 1.51 0.27 -0.26 117.35 125.43 1mwp s TYR 115 Ca 0.63 -0.83 -0.30 0.00 -1.01 0.00 0.00 57.07 55.56 1mwp s TYR 115 Cb -0.16 -2.09 -0.07 0.00 -0.11 0.00 0.00 41.96 39.53 1mwp s TYR 115 CO 0.56 -0.48 1.09 1.03 -1.11 0.00 0.00 175.55 176.64 1mwp s ARG 116 N 1.35 4.58 -0.41 -0.62 0.52 0.69 -1.17 118.95 123.89 1mwp s ARG 116 Ca 0.04 1.67 -0.18 0.00 -0.52 0.00 0.00 55.73 56.74 1mwp s ARG 116 Cb -0.14 -3.31 0.02 0.00 0.52 0.00 0.00 34.95 32.03 1mwp s ARG 116 CO -0.02 0.03 0.51 0.00 0.02 0.00 0.00 175.30 175.85 1mwp s LEU 118 N 2.39 4.07 0.24 0.00 1.43 0.46 -4.66 118.68 122.61 1mwp s LEU 118 Ca 0.16 0.76 -0.30 0.00 -1.03 0.00 0.00 54.13 53.73 1mwp s LEU 118 Cb -0.16 -2.92 -0.09 0.00 0.03 0.00 0.00 46.19 43.05 1mwp s LEU 118 CO 0.15 -0.40 1.33 -0.69 0.23 0.00 0.00 176.35 176.97 1mwp s VAL 119 N 2.58 2.99 0.14 -1.59 1.01 -1.26 -1.02 120.40 123.24 1mwp s VAL 119 Ca 0.28 0.86 0.05 0.00 0.00 0.00 0.00 61.98 63.17 1mwp s VAL 119 Cb -0.15 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 1mwp s VAL 119 CO 0.08 0.15 0.07 -0.83 0.00 0.00 0.00 175.10 174.58 1mwp s GLY 120 N 0.12 1.82 -0.33 4.51 0.00 0.99 -4.76 107.32 109.67 1mwp s GLY 120 Ca 0.55 -1.19 -0.08 0.00 0.00 0.00 0.00 44.72 44.01 1mwp s GLY 120 CO 0.42 -1.19 0.12 1.85 0.00 0.00 0.00 173.10 174.31 1mwp s GLU 121 N -2.79 2.88 0.18 2.90 2.12 -1.26 -4.92 118.70 117.82 1mwp s GLU 121 Ca 0.29 -1.01 -0.30 0.00 0.36 0.00 0.00 54.97 54.31 1mwp s GLU 121 Cb -0.11 -3.49 -0.08 0.00 0.26 0.00 0.00 34.13 30.72 1mwp s GLU 121 CO 0.21 -0.58 0.98 -0.06 -0.54 0.00 0.00 175.26 175.27 1mwp s PHE 122 N 1.48 3.85 -2.41 5.30 0.08 -1.26 -5.21 117.98 119.81 1mwp s PHE 122 Ca 0.01 1.82 0.19 0.00 0.12 0.00 0.00 56.93 59.08 1mwp s PHE 122 Cb -0.18 -3.06 0.15 0.00 -0.57 0.00 0.00 43.02 39.36 1mwp s PHE 122 CO 0.04 0.17 1.11 1.33 -0.10 0.00 0.00 175.22 177.77