#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3abm n GLY 5 N 0.00 0.50 3.43 -0.02 0.00 -1.26 -5.08 105.19 102.77 3abm n GLY 5 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 3abm n GLY 5 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3abm s VAL 6 N -2.00 3.85 0.75 1.61 1.01 -1.26 -5.09 120.40 119.28 3abm s VAL 6 Ca 0.00 -0.35 -0.14 0.00 0.00 0.00 0.00 61.98 61.49 3abm s VAL 6 Cb 0.00 -2.74 0.05 0.00 0.00 0.00 0.00 36.38 33.70 3abm s VAL 6 CO 0.00 0.44 1.20 -2.84 0.00 0.00 0.00 175.10 173.89 3abm s PRO 7 N 0.98 2.01 0.43 2.72 0.01 -1.26 -5.03 135.00 134.86 3abm s PRO 7 Ca 0.01 1.72 0.07 0.00 0.01 0.00 0.00 61.00 62.81 3abm s PRO 7 Cb -0.14 -1.82 0.01 0.00 0.01 0.00 0.00 34.50 32.56 3abm s PRO 7 CO 0.01 -1.93 0.59 0.95 0.01 0.00 0.00 177.00 176.64 3abm s THR 8 N -2.09 3.06 0.21 0.99 -4.23 -1.26 -4.97 115.64 107.34 3abm s THR 8 Ca 0.73 -0.95 -0.10 0.00 -1.18 0.00 0.00 61.69 60.19 3abm s THR 8 Cb -0.28 -3.04 0.15 0.00 1.34 0.00 0.00 72.50 70.67 3abm s THR 8 CO 0.47 -0.02 1.85 0.44 -0.54 0.00 0.00 174.62 176.82 3abm h ASP 9 N 0.58 0.91 -0.53 3.99 3.32 -1.95 0.20 116.42 122.95 3abm h ASP 9 Ca -0.41 -0.07 0.09 0.00 0.02 0.00 0.00 57.03 56.67 3abm h ASP 9 Cb 1.28 -0.23 -0.07 0.00 0.22 0.00 0.00 39.33 40.53 3abm h ASP 9 CO 0.47 0.71 0.11 -0.08 -1.72 0.00 0.00 179.24 178.73 3abm h GLU 10 N 1.04 0.24 -0.13 3.56 4.57 -1.95 0.45 114.58 122.35 3abm h GLU 10 Ca 0.27 -0.01 -0.20 0.00 -1.18 0.00 0.00 59.36 58.23 3abm h GLU 10 Cb -0.03 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.51 3abm h GLU 10 CO -0.05 0.16 -0.73 0.93 -1.18 0.00 0.00 179.01 178.13 3abm h GLU 11 N 0.25 0.63 0.00 1.92 5.08 -1.85 -3.41 114.58 117.20 3abm h GLU 11 Ca 0.27 -0.50 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 3abm h GLU 11 Cb 0.37 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.72 3abm h GLU 11 CO -0.34 1.12 -0.24 0.94 -1.00 0.00 0.00 179.01 179.49 3abm n GLN 12 N -3.90 4.70 -1.89 2.33 7.27 0.66 -4.97 117.38 121.58 3abm n GLN 12 Ca -0.06 0.00 -0.36 0.00 0.07 0.00 0.00 57.00 56.65 3abm n GLN 12 Cb 0.72 -0.58 0.05 0.00 2.41 0.00 0.00 30.24 32.84 3abm n GLN 12 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3abm s ALA 13 N -1.12 2.46 0.35 1.69 0.00 0.08 -5.01 121.76 120.21 3abm s ALA 13 Ca 0.00 1.04 0.00 0.00 0.00 0.00 0.00 51.96 53.01 3abm s ALA 13 Cb 0.00 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.64 3abm s ALA 13 CO 0.00 -1.34 0.45 -2.37 0.00 0.00 0.00 175.76 172.50 3abm n THR 14 N -1.79 0.00 -1.52 0.00 5.66 -1.26 -4.67 114.28 110.71 3abm n THR 14 Ca 0.14 -1.93 0.00 0.00 -3.05 0.00 0.00 64.05 59.21 3abm n THR 14 Cb 0.49 1.13 0.00 0.00 -1.55 0.00 0.00 70.33 70.40 3abm n THR 14 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3abm n GLY 15 N -0.59 1.65 0.29 1.09 0.00 -1.26 -0.75 105.19 105.61 3abm n GLY 15 Ca 0.02 -0.35 0.02 0.00 0.00 0.00 0.00 46.02 45.72 3abm n GLY 15 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3abm h LEU 16 N 0.00 0.44 -0.50 0.99 5.85 -2.00 -2.40 115.31 117.70 3abm h LEU 16 Ca 0.00 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.65 3abm h LEU 16 Cb 0.00 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 3abm h LEU 16 CO 0.00 0.42 0.22 -0.08 -0.34 0.00 0.00 178.44 178.66 3abm h GLU 17 N 0.48 0.73 -0.59 1.25 4.81 -1.89 -0.46 114.58 118.91 3abm h GLU 17 Ca 0.12 -0.12 -0.08 0.00 -0.13 0.00 0.00 59.36 59.14 3abm h GLU 17 Cb 0.14 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 3abm h GLU 17 CO -0.01 0.64 0.03 -0.09 -0.73 0.00 0.00 179.01 178.85 3abm h ARG 18 N 0.66 1.00 -0.71 1.92 2.43 -0.59 -1.94 114.38 117.15 3abm h ARG 18 Ca 0.17 -0.29 0.06 0.00 -0.81 0.00 0.00 59.98 59.11 3abm h ARG 18 Cb 0.17 -0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 29.55 3abm h ARG 18 CO -0.02 0.96 0.41 0.93 -1.51 0.00 0.00 179.97 180.74 3abm h GLU 19 N 0.93 0.72 -0.33 0.20 5.08 -1.07 0.13 114.58 120.24 3abm h GLU 19 Ca 0.17 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.37 3abm h GLU 19 Cb 0.49 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 3abm h GLU 19 CO 0.02 0.48 -0.25 0.28 -1.00 0.00 0.00 179.01 178.54 3abm h VAL 20 N 0.74 1.29 -0.86 3.13 2.07 -0.88 -2.12 116.25 119.63 3abm h VAL 20 Ca 0.32 -1.40 0.01 0.00 0.82 0.00 0.00 66.70 66.45 3abm h VAL 20 Cb 0.19 1.46 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 3abm h VAL 20 CO -0.18 0.46 0.57 -0.03 0.02 0.00 0.00 177.57 178.40 3abm h MET 21 N 0.52 1.13 -0.11 1.57 1.85 -0.83 -1.51 114.93 117.56 3abm h MET 21 Ca 0.06 -0.07 -0.09 0.00 -0.61 0.00 0.00 59.70 58.99 3abm h MET 21 Cb 0.81 -0.26 0.00 0.00 0.43 0.00 0.00 31.60 32.59 3abm h MET 21 CO 0.07 0.75 -0.29 -0.07 -0.40 0.00 0.00 176.91 176.97 3abm h LEU 22 N 1.17 0.44 -0.66 3.39 3.38 -0.89 -2.24 115.31 119.90 3abm h LEU 22 Ca 0.32 -0.59 -0.00 0.00 0.09 0.00 0.00 57.88 57.69 3abm h LEU 22 Cb -0.13 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 3abm h LEU 22 CO -0.07 0.95 0.41 0.00 0.09 0.00 0.00 178.44 179.82 3abm h ALA 23 N 0.50 0.84 -0.67 1.53 0.00 -1.34 -0.54 119.26 119.58 3abm h ALA 23 Ca -0.01 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.87 3abm h ALA 23 Cb 0.90 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 3abm h ALA 23 CO 0.06 0.31 0.44 0.00 0.00 0.00 0.00 179.25 180.06 3abm h ALA 24 N 1.21 1.66 -0.74 0.00 0.00 -1.24 0.20 119.26 120.36 3abm h ALA 24 Ca 0.24 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.17 3abm h ALA 24 Cb -0.04 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.48 3abm h ALA 24 CO -0.05 0.26 0.44 -0.09 0.00 0.00 0.00 179.25 179.81 3abm h ARG 25 N 0.77 0.80 -0.06 0.00 2.43 -0.49 -1.08 114.38 116.74 3abm h ARG 25 Ca 0.27 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 3abm h ARG 25 Cb 0.13 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 3abm h ARG 25 CO -0.08 0.53 0.00 1.63 -1.51 0.00 0.00 179.97 180.54 3abm n LYS 26 N -4.70 1.26 -1.69 0.20 5.02 -0.34 -4.88 118.16 113.03 3abm n LYS 26 Ca 0.09 -0.40 -0.08 0.00 -2.02 0.00 0.00 58.31 55.91 3abm n LYS 26 Cb 0.15 -1.31 -0.02 0.00 -0.02 0.00 0.00 35.03 33.83 3abm n LYS 26 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3abm n GLY 27 N 0.89 0.50 3.69 0.72 0.00 -0.41 -5.03 105.19 105.55 3abm n GLY 27 Ca 0.14 -0.63 -0.23 0.00 0.00 0.00 0.00 46.02 45.30 3abm n GLY 27 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3abm s GLN 28 N -3.54 2.32 -0.40 1.61 -0.21 0.57 -4.98 119.66 115.04 3abm s GLN 28 Ca 0.00 -1.50 0.11 0.00 0.02 0.00 0.00 55.36 53.99 3abm s GLN 28 Cb 0.00 -2.15 0.35 0.00 1.00 0.00 0.00 33.01 32.21 3abm s GLN 28 CO 0.00 0.23 0.77 -3.47 -2.12 0.00 0.00 175.29 170.70 3abm n ASP 29 N -1.02 1.37 0.29 5.90 2.03 -1.26 -3.59 116.55 120.27 3abm n ASP 29 Ca -0.05 -3.10 0.19 0.00 0.52 0.00 0.00 54.79 52.36 3abm n ASP 29 Cb 0.60 -0.61 0.93 0.00 -0.72 0.00 0.00 41.12 41.32 3abm n ASP 29 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3abm h PRO 30 N 3.00 0.00 -0.35 -0.67 0.13 -1.96 -2.99 132.00 129.16 3abm h PRO 30 Ca 0.10 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.21 3abm h PRO 30 Cb 0.91 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.03 3abm h PRO 30 CO 0.55 0.00 0.01 0.66 -0.23 0.00 0.00 178.00 178.98 3abm n TYR 31 N -2.97 1.25 -3.63 1.56 4.02 -1.26 -4.99 117.16 111.14 3abm n TYR 31 Ca -0.01 -0.89 -0.24 0.00 -0.01 0.00 0.00 57.90 56.75 3abm n TYR 31 Cb 0.17 -0.38 0.07 0.00 -0.02 0.00 0.00 39.34 39.18 3abm n TYR 31 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3abm n ASN 32 N -0.29 -5.18 0.10 7.72 3.02 -1.13 -4.86 115.26 114.65 3abm n ASN 32 Ca 0.24 -0.61 -0.04 0.00 -0.03 0.00 0.00 54.58 54.14 3abm n ASN 32 Cb 0.99 -4.80 0.00 0.00 -0.61 0.00 0.00 39.78 35.36 3abm n ASN 32 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 3abm h ILE 33 N -2.44 1.52 -2.96 2.41 2.04 -1.94 -3.45 117.51 112.69 3abm h ILE 33 Ca -0.58 -2.84 -0.61 0.00 1.00 0.00 0.00 64.86 61.84 3abm h ILE 33 Cb 1.37 2.56 -0.08 0.00 -0.74 0.00 0.00 36.82 39.92 3abm h ILE 33 CO 0.57 0.80 -0.59 -0.76 0.00 0.00 0.00 178.15 178.17 3abm s LEU 34 N -6.98 3.76 0.02 1.44 1.43 -1.26 -5.07 118.68 112.02 3abm s LEU 34 Ca 0.01 -0.09 -0.30 0.00 -1.03 0.00 0.00 54.13 52.71 3abm s LEU 34 Cb 0.11 -2.41 -0.04 0.00 0.03 0.00 0.00 46.19 43.88 3abm s LEU 34 CO 0.79 0.12 1.09 0.00 0.23 0.00 0.00 176.35 178.58 3abm s ALA 35 N -1.57 3.29 0.56 4.21 0.00 -1.26 -5.04 121.76 121.95 3abm s ALA 35 Ca 0.30 0.68 -0.20 0.00 0.00 0.00 0.00 51.96 52.74 3abm s ALA 35 Cb -0.11 -3.40 -0.05 0.00 0.00 0.00 0.00 23.12 19.56 3abm s ALA 35 CO 0.22 -0.36 1.17 -1.25 0.00 0.00 0.00 175.76 175.55 3abm s PRO 36 N 1.12 3.21 -0.02 0.00 0.04 -1.26 -5.01 135.00 133.07 3abm s PRO 36 Ca 0.55 1.74 -0.16 0.00 0.04 0.00 0.00 61.00 63.17 3abm s PRO 36 Cb -0.25 -2.01 -0.05 0.00 0.04 0.00 0.00 34.50 32.23 3abm s PRO 36 CO 0.28 -0.99 0.45 0.21 0.04 0.00 0.00 177.00 176.99 3abm s LYS 37 N -3.24 4.10 0.33 4.56 2.47 -1.26 -5.07 119.74 121.62 3abm s LYS 37 Ca 0.74 0.47 -0.28 0.00 -1.56 0.00 0.00 55.97 55.34 3abm s LYS 37 Cb -0.28 -3.29 -0.10 0.00 -1.46 0.00 0.00 37.83 32.70 3abm s LYS 37 CO 0.31 0.52 1.25 0.00 0.16 0.00 0.00 175.35 177.59 3abm s ALA 38 N -0.56 3.43 0.91 3.13 0.00 -1.26 -5.02 121.76 122.39 3abm s ALA 38 Ca 0.25 1.16 0.00 0.00 0.00 0.00 0.00 51.96 53.37 3abm s ALA 38 Cb -0.17 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.51 3abm s ALA 38 CO 0.13 -0.55 0.00 0.25 0.00 0.00 0.00 175.76 175.59 3abm n THR 39 N 0.75 0.00 0.74 0.00 -2.24 -1.26 -4.93 114.28 107.34 3abm n THR 39 Ca 0.00 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.89 3abm n THR 39 Cb 0.43 -1.91 0.45 0.00 -2.10 0.00 0.00 70.33 67.20 3abm n THR 39 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3abm n SER 40 N -2.73 0.00 -0.25 3.42 3.41 -1.26 -4.90 113.62 111.32 3abm n SER 40 Ca 0.00 0.46 -0.03 0.00 -0.26 0.00 0.00 58.87 59.03 3abm n SER 40 Cb 0.00 -0.48 -0.01 0.00 -0.26 0.00 0.00 64.21 63.45 3abm n SER 40 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3abm n GLY 41 N 0.64 0.60 3.96 5.00 0.00 -0.89 -4.94 105.19 109.55 3abm n GLY 41 Ca 0.05 -0.34 -0.28 0.00 0.00 0.00 0.00 46.02 45.45 3abm n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3abm s THR 42 N -1.94 2.01 0.39 2.61 -4.23 -1.15 -0.87 115.64 112.46 3abm s THR 42 Ca 0.00 -0.17 0.08 0.00 -1.18 0.00 0.00 61.69 60.41 3abm s THR 42 Cb 0.00 -2.83 0.20 0.00 1.34 0.00 0.00 72.50 71.21 3abm s THR 42 CO 0.00 0.00 1.97 0.50 -0.54 0.00 0.00 174.62 176.55 3abm h LYS 43 N -1.44 0.40 0.00 3.99 3.64 -1.95 -1.88 116.57 119.34 3abm h LYS 43 Ca -0.41 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 3abm h LYS 43 Cb 1.23 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 3abm h LYS 43 CO 0.34 0.39 -0.98 0.39 -2.27 0.00 0.00 179.45 177.32 3abm n GLU 44 N -4.36 0.25 -3.16 1.90 4.71 -1.26 -4.30 120.64 114.41 3abm n GLU 44 Ca 0.01 -0.00 -0.22 0.00 -0.01 0.00 0.00 57.16 56.94 3abm n GLU 44 Cb 0.18 -1.58 -0.05 0.00 -1.01 0.00 0.00 31.44 28.98 3abm n GLU 44 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 3abm n ASP 45 N -1.90 1.63 -4.81 1.62 4.64 -0.76 -5.12 116.55 111.86 3abm n ASP 45 Ca 0.02 -3.10 -0.31 0.00 -1.38 0.00 0.00 54.79 50.02 3abm n ASP 45 Cb 0.42 -0.62 0.05 0.00 -1.04 0.00 0.00 41.12 39.94 3abm n ASP 45 CO 0.00 0.00 0.00 -2.16 -0.82 0.00 0.00 177.20 174.22 3abm s PRO 46 N -2.34 2.87 0.17 -0.67 0.04 -0.87 -2.09 135.00 132.11 3abm s PRO 46 Ca 0.41 1.04 -0.31 0.00 0.04 0.00 0.00 61.00 62.18 3abm s PRO 46 Cb 0.28 -1.98 -0.09 0.00 0.04 0.00 0.00 34.50 32.75 3abm s PRO 46 CO -0.09 -1.16 1.37 -0.80 0.04 0.00 0.00 177.00 176.36 3abm s ASN 47 N -3.54 6.82 -0.26 6.66 0.01 -0.73 -4.82 114.94 119.09 3abm s ASN 47 Ca 0.60 2.41 -0.10 0.00 -0.71 0.00 0.00 52.86 55.06 3abm s ASN 47 Cb -0.15 -2.60 -0.05 0.00 0.41 0.00 0.00 41.25 38.86 3abm s ASN 47 CO 0.52 -0.61 0.16 -0.76 -1.51 0.00 0.00 177.10 174.89 3abm s LEU 48 N 0.41 3.93 -0.33 0.60 1.02 -1.26 0.78 118.68 123.83 3abm s LEU 48 Ca 0.61 -0.02 0.02 0.00 0.02 0.00 0.00 54.13 54.76 3abm s LEU 48 Cb -0.38 -2.08 0.09 0.00 0.02 0.00 0.00 46.19 43.84 3abm s LEU 48 CO 0.35 -0.01 0.03 -0.69 0.02 0.00 0.00 176.35 176.05 3abm s VAL 49 N 1.53 2.51 0.73 -1.59 1.01 0.19 -4.95 120.40 119.83 3abm s VAL 49 Ca 0.07 -2.01 -0.11 0.00 0.00 0.00 0.00 61.98 59.92 3abm s VAL 49 Cb -0.15 -2.69 0.03 0.00 0.00 0.00 0.00 36.38 33.57 3abm s VAL 49 CO 0.08 -0.42 1.08 -2.84 0.00 0.00 0.00 175.10 173.00 3abm s PRO 50 N 1.03 2.62 0.16 2.72 0.02 -1.26 -1.09 135.00 139.21 3abm s PRO 50 Ca 0.04 1.09 -0.22 0.00 0.02 0.00 0.00 61.00 61.93 3abm s PRO 50 Cb -0.20 -1.95 0.06 0.00 0.02 0.00 0.00 34.50 32.44 3abm s PRO 50 CO -0.06 -1.35 0.58 0.45 -0.33 0.00 0.00 177.00 176.29 3abm s SER 51 N -3.50 -0.49 0.00 2.53 0.15 -1.08 -4.84 113.70 106.47 3abm s SER 51 Ca 0.60 -0.10 0.18 0.00 0.70 0.00 0.00 55.95 57.34 3abm s SER 51 Cb -0.16 0.59 0.44 0.00 -1.71 0.00 0.00 66.02 65.18 3abm s SER 51 CO 0.54 -0.98 1.36 2.30 1.20 0.00 0.00 173.24 177.66 3abm n ILE 52 N -0.36 0.79 -3.38 6.45 -5.35 -1.26 0.89 119.36 117.13 3abm n ILE 52 Ca -0.16 -0.89 0.00 0.00 -0.27 0.00 0.00 62.75 61.43 3abm n ILE 52 Cb 0.64 0.69 0.00 0.00 -1.74 0.00 0.00 39.64 39.23 3abm n ILE 52 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 3abm n THR 53 N 1.18 0.00 -0.64 7.28 -2.24 -1.26 -4.51 114.28 114.08 3abm n THR 53 Ca 0.18 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 62.05 3abm n THR 53 Cb 0.53 0.00 0.37 0.00 -2.10 0.00 0.00 70.33 69.13 3abm n THR 53 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3abm n ASN 54 N -0.94 4.88 -3.62 3.42 3.02 -1.26 -4.35 115.26 116.41 3abm n ASN 54 Ca 0.00 -2.47 -0.13 0.00 -0.03 0.00 0.00 54.58 51.95 3abm n ASN 54 Cb 0.00 -0.59 -0.06 0.00 -0.61 0.00 0.00 39.78 38.52 3abm n ASN 54 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 3abm s LYS 55 N -1.89 0.99 -0.05 3.52 -2.85 -1.26 -1.03 119.74 117.18 3abm s LYS 55 Ca 0.52 -0.35 -0.16 0.00 -1.00 0.00 0.00 55.97 54.99 3abm s LYS 55 Cb 0.34 0.45 0.03 0.00 -2.06 0.00 0.00 37.83 36.59 3abm s LYS 55 CO 0.25 -0.36 0.36 0.50 0.10 0.00 0.00 175.35 176.21 3abm s ARG 56 N -2.63 0.65 0.09 1.78 3.52 -0.40 -4.90 118.95 117.06 3abm s ARG 56 Ca -0.04 0.03 -0.30 0.00 -0.13 0.00 0.00 55.73 55.29 3abm s ARG 56 Cb -0.00 0.30 -0.05 0.00 -1.56 0.00 0.00 34.95 33.63 3abm s ARG 56 CO -0.03 -0.16 1.05 0.42 -0.81 0.00 0.00 175.30 175.76 3abm s ILE 57 N -0.94 4.34 -0.00 4.11 1.01 -1.26 -0.28 121.20 128.18 3abm s ILE 57 Ca -0.10 1.83 0.01 0.00 0.00 0.00 0.00 60.65 62.39 3abm s ILE 57 Cb -0.04 -4.17 -0.04 0.00 0.01 0.00 0.00 42.46 38.22 3abm s ILE 57 CO 0.04 0.22 0.02 -0.69 0.00 0.00 0.00 174.94 174.53 3abm s VAL 58 N 0.43 4.31 -0.12 2.92 1.01 0.18 -4.90 120.40 124.24 3abm s VAL 58 Ca 0.51 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.96 3abm s VAL 58 Cb -0.25 -2.94 -0.01 0.00 0.00 0.00 0.00 36.38 33.18 3abm s VAL 58 CO 0.30 0.37 -0.18 -0.83 0.00 0.00 0.00 175.10 174.77 3abm s GLY 59 N -1.60 1.45 -0.21 4.51 0.00 -1.26 -1.47 107.32 108.74 3abm s GLY 59 Ca 0.20 -0.92 -0.04 0.00 0.00 0.00 0.00 44.72 43.96 3abm s GLY 59 CO 0.11 -0.26 -0.05 0.00 0.00 0.00 0.00 173.10 172.90 3abm s ILE 61 N 1.29 4.97 0.07 0.00 1.01 -1.26 -0.82 121.20 126.47 3abm s ILE 61 Ca 0.03 -1.48 -0.23 0.00 0.00 0.00 0.00 60.65 58.98 3abm s ILE 61 Cb -0.14 -4.56 -0.15 0.00 0.01 0.00 0.00 42.46 37.62 3abm s ILE 61 CO -0.02 -1.21 1.66 0.00 0.00 0.00 0.00 174.94 175.37 3abm s GLU 63 N -5.82 1.38 0.24 0.00 2.02 -1.26 -5.04 118.70 110.21 3abm s GLU 63 Ca -0.14 -1.35 -0.31 0.00 0.02 0.00 0.00 54.97 53.20 3abm s GLU 63 Cb 0.06 -1.84 -0.12 0.00 0.10 0.00 0.00 34.13 32.33 3abm s GLU 63 CO 0.67 0.43 1.60 -1.91 0.02 0.00 0.00 175.26 176.07 3abm n GLU 64 N 0.87 2.53 -0.31 1.61 2.13 -1.26 -1.25 120.64 124.96 3abm n GLU 64 Ca -0.18 0.91 0.00 0.00 0.66 0.00 0.00 57.16 58.55 3abm n GLU 64 Cb 0.53 -2.68 0.00 0.00 0.27 0.00 0.00 31.44 29.56 3abm n GLU 64 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 3abm n ASP 65 N 2.85 0.00 -4.58 4.31 10.43 -1.26 -5.01 116.55 123.29 3abm n ASP 65 Ca 0.12 0.00 -0.43 0.00 2.57 0.00 0.00 54.79 57.06 3abm n ASP 65 Cb 0.34 -0.07 0.00 0.00 1.84 0.00 0.00 41.12 43.23 3abm n ASP 65 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 3abm n ASN 66 N 0.00 1.00 0.03 -2.24 4.13 -0.38 -4.88 115.26 112.93 3abm n ASN 66 Ca 0.00 1.07 0.11 0.00 1.68 0.00 0.00 54.58 57.45 3abm n ASN 66 Cb 0.00 -1.30 -0.07 0.00 -1.54 0.00 0.00 39.78 36.87 3abm n ASN 66 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 3abm n SER 67 N 0.88 0.45 -4.63 6.41 3.41 -1.26 -4.81 113.62 114.07 3abm n SER 67 Ca 0.10 -0.01 -0.42 0.00 -0.26 0.00 0.00 58.87 58.28 3abm n SER 67 Cb 0.36 1.19 -0.04 0.00 -0.26 0.00 0.00 64.21 65.46 3abm n SER 67 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3abm s THR 68 N -3.37 4.76 0.04 6.66 2.01 -1.26 -5.07 115.64 119.42 3abm s THR 68 Ca -0.02 1.42 -0.15 0.00 0.31 0.00 0.00 61.69 63.24 3abm s THR 68 Cb 0.13 -4.18 -0.06 0.00 0.01 0.00 0.00 72.50 68.40 3abm s THR 68 CO 0.85 -0.23 0.46 -0.69 -0.69 0.00 0.00 174.62 174.32 3abm s VAL 69 N 3.03 4.94 -0.24 3.82 1.01 -1.26 -4.67 120.40 127.03 3abm s VAL 69 Ca 0.35 0.90 -0.09 0.00 0.00 0.00 0.00 61.98 63.15 3abm s VAL 69 Cb -0.14 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 3abm s VAL 69 CO 0.11 0.52 0.11 -0.63 0.00 0.00 0.00 175.10 175.20 3abm s ILE 70 N -1.15 4.76 -0.09 2.22 -1.09 0.00 -4.86 121.20 120.99 3abm s ILE 70 Ca 0.27 -0.03 0.01 0.00 -2.23 0.00 0.00 60.65 58.68 3abm s ILE 70 Cb -0.17 -3.22 -0.02 0.00 -1.58 0.00 0.00 42.46 37.47 3abm s ILE 70 CO 0.16 0.34 -0.11 0.26 -1.23 0.00 0.00 174.94 174.36 3abm s TRP 71 N 1.34 2.81 -0.06 3.97 0.52 -1.26 0.11 118.94 126.37 3abm s TRP 71 Ca 0.06 -0.28 -0.30 0.00 0.02 0.00 0.00 56.10 55.60 3abm s TRP 71 Cb -0.15 -1.74 0.09 0.00 -1.15 0.00 0.00 33.47 30.52 3abm s TRP 71 CO 0.05 0.08 0.78 -0.59 0.02 0.00 0.00 176.95 177.29 3abm s PHE 72 N -0.33 -0.54 -0.01 -1.98 -0.12 -0.54 -4.98 117.98 109.48 3abm s PHE 72 Ca 0.04 0.84 -0.30 0.00 -0.05 0.00 0.00 56.93 57.45 3abm s PHE 72 Cb -0.13 0.45 -0.04 0.00 -0.63 0.00 0.00 43.02 42.67 3abm s PHE 72 CO 0.02 -0.55 1.11 -1.58 -0.05 0.00 0.00 175.22 174.17 3abm s TRP 73 N -1.57 3.45 -0.26 3.49 0.52 -1.26 0.50 118.94 123.81 3abm s TRP 73 Ca -0.06 1.43 -0.15 0.00 0.02 0.00 0.00 56.10 57.35 3abm s TRP 73 Cb -0.00 -3.30 -0.04 0.00 -1.15 0.00 0.00 33.47 28.97 3abm s TRP 73 CO 0.04 -0.79 0.36 -1.17 0.02 0.00 0.00 176.95 175.41 3abm s LEU 74 N 1.46 4.06 0.18 2.99 2.96 0.61 -4.89 118.68 126.05 3abm s LEU 74 Ca 0.55 0.31 0.04 0.00 -0.22 0.00 0.00 54.13 54.80 3abm s LEU 74 Cb -0.24 -2.41 -0.03 0.00 0.50 0.00 0.00 46.19 44.00 3abm s LEU 74 CO 0.26 -0.15 0.27 -1.00 -1.32 0.00 0.00 176.35 174.41 3abm s HIS 75 N 1.88 3.39 0.27 5.38 3.76 -1.26 -1.28 115.29 127.43 3abm s HIS 75 Ca 0.15 0.05 -0.30 0.00 -0.15 0.00 0.00 55.06 54.80 3abm s HIS 75 Cb -0.15 -1.60 -0.11 0.00 1.11 0.00 0.00 32.58 31.83 3abm s HIS 75 CO 0.09 0.50 1.55 0.21 -0.85 0.00 0.00 174.74 176.24 3abm s LYS 76 N -3.42 4.17 0.00 1.40 2.20 -0.20 -4.47 119.74 119.42 3abm s LYS 76 Ca 0.34 2.49 0.00 0.00 -0.36 0.00 0.00 55.97 58.43 3abm s LYS 76 Cb -0.10 -3.06 0.00 0.00 -1.51 0.00 0.00 37.83 33.16 3abm s LYS 76 CO 0.27 -0.57 0.00 0.41 -0.36 0.00 0.00 175.35 175.11 3abm n GLY 77 N 2.29 0.80 3.68 5.54 0.00 -1.26 -5.04 105.19 111.19 3abm n GLY 77 Ca 0.08 -1.73 -0.38 0.00 0.00 0.00 0.00 46.02 43.99 3abm n GLY 77 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3abm n GLU 78 N 0.00 1.10 -1.69 1.61 1.02 -1.26 -4.72 120.64 116.70 3abm n GLU 78 Ca 0.00 0.42 -0.40 0.00 -0.02 0.00 0.00 57.16 57.16 3abm n GLU 78 Cb 0.00 -2.36 0.02 0.00 -0.02 0.00 0.00 31.44 29.07 3abm n GLU 78 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3abm n ALA 79 N -1.68 1.11 -2.66 0.62 0.00 -1.26 -4.90 120.51 111.73 3abm n ALA 79 Ca 0.14 0.22 -0.25 0.00 0.00 0.00 0.00 53.44 53.55 3abm n ALA 79 Cb 0.47 -2.24 -0.08 0.00 0.00 0.00 0.00 19.45 17.60 3abm n ALA 79 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3abm s GLN 80 N -2.31 2.37 -0.05 0.00 -0.21 -0.47 -4.92 119.66 114.08 3abm s GLN 80 Ca 0.64 -1.21 0.01 0.00 0.02 0.00 0.00 55.36 54.82 3abm s GLN 80 Cb -0.50 -2.30 -0.03 0.00 1.00 0.00 0.00 33.01 31.19 3abm s GLN 80 CO 0.56 0.42 -0.05 1.03 -2.12 0.00 0.00 175.29 175.14 3abm s ARG 81 N -3.19 2.76 -0.05 2.91 0.52 -1.26 -0.15 118.95 120.49 3abm s ARG 81 Ca 0.29 -0.56 -0.37 0.00 -0.52 0.00 0.00 55.73 54.57 3abm s ARG 81 Cb -0.08 -2.62 -0.15 0.00 0.52 0.00 0.00 34.95 32.62 3abm s ARG 81 CO 0.19 0.66 1.62 0.00 0.02 0.00 0.00 175.30 177.78 3abm n PRO 83 N 4.41 0.04 -0.10 0.00 -0.04 -1.26 0.59 135.00 138.64 3abm n PRO 83 Ca 0.21 0.30 -0.22 0.00 -0.04 0.00 0.00 63.50 63.75 3abm n PRO 83 Cb 0.21 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.10 3abm n PRO 83 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3abm n SER 84 N -1.43 1.49 -0.57 3.54 2.88 -1.26 -4.76 113.62 113.51 3abm n SER 84 Ca 0.03 0.26 0.07 0.00 -1.33 0.00 0.00 58.87 57.89 3abm n SER 84 Cb 0.09 -0.62 0.08 0.00 -0.75 0.00 0.00 64.21 63.01 3abm n SER 84 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3abm n GLY 86 N 0.73 0.00 3.73 0.00 0.00 0.20 -4.94 105.19 104.91 3abm n GLY 86 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 3abm n GLY 86 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3abm n THR 87 N -1.98 4.31 -3.69 2.61 -2.24 -1.26 -4.32 114.28 107.71 3abm n THR 87 Ca 0.00 -0.50 -0.35 0.00 -2.27 0.00 0.00 64.05 60.93 3abm n THR 87 Cb 0.27 -1.57 -0.05 0.00 -2.10 0.00 0.00 70.33 66.88 3abm n THR 87 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3abm s HIS 88 N -1.34 3.60 0.05 4.78 0.09 -0.05 -0.52 115.29 121.91 3abm s HIS 88 Ca 0.77 0.68 0.04 0.00 -0.00 0.00 0.00 55.06 56.55 3abm s HIS 88 Cb -0.40 -2.07 -0.02 0.00 -0.00 0.00 0.00 32.58 30.09 3abm s HIS 88 CO 0.45 0.60 -0.13 0.71 -0.00 0.00 0.00 174.74 176.38 3abm s TYR 89 N -1.27 1.10 -0.04 1.40 2.02 0.78 -1.77 117.35 119.56 3abm s TYR 89 Ca 0.27 -0.39 0.00 0.00 -0.37 0.00 0.00 57.07 56.59 3abm s TYR 89 Cb -0.14 -0.64 0.02 0.00 -0.40 0.00 0.00 41.96 40.80 3abm s TYR 89 CO 0.15 0.02 -0.02 0.21 -1.57 0.00 0.00 175.55 174.34 3abm s LYS 90 N -1.31 0.58 0.22 -0.62 2.20 0.23 -1.37 119.74 119.68 3abm s LYS 90 Ca -0.01 -0.00 -0.30 0.00 -0.36 0.00 0.00 55.97 55.30 3abm s LYS 90 Cb -0.08 -0.71 -0.09 0.00 -1.51 0.00 0.00 37.83 35.44 3abm s LYS 90 CO 0.01 -0.13 1.00 -1.17 -0.36 0.00 0.00 175.35 174.70 3abm s LEU 91 N 1.09 4.59 -0.62 5.43 2.96 -1.26 -0.63 118.68 130.23 3abm s LEU 91 Ca -0.09 2.02 0.05 0.00 -0.22 0.00 0.00 54.13 55.89 3abm s LEU 91 Cb -0.14 -3.61 0.16 0.00 0.50 0.00 0.00 46.19 43.11 3abm s LEU 91 CO -0.01 0.01 0.43 0.68 -1.32 0.00 0.00 176.35 176.14 3abm s VAL 92 N -0.91 2.34 1.27 1.68 -7.23 -0.25 -4.73 120.40 112.58 3abm s VAL 92 Ca 0.44 -3.81 -0.16 0.00 -1.81 0.00 0.00 61.98 56.63 3abm s VAL 92 Cb -0.27 -2.55 0.32 0.00 0.56 0.00 0.00 36.38 34.43 3abm s VAL 92 CO 0.34 -1.02 0.99 -2.16 -0.31 0.00 0.00 175.10 172.94 3abm s PRO 93 N -0.99 -1.75 0.46 4.82 0.04 -1.26 -2.62 135.00 133.71 3abm s PRO 93 Ca 0.25 0.57 0.00 0.00 0.04 0.00 0.00 61.00 61.86 3abm s PRO 93 Cb -0.06 -1.48 0.00 0.00 0.04 0.00 0.00 34.50 33.00 3abm s PRO 93 CO -0.15 -4.20 0.00 0.72 0.04 0.00 0.00 177.00 173.41 3abm n HIS 94 N -5.22 -4.75 0.00 0.56 8.25 0.26 -4.75 115.22 109.57 3abm n HIS 94 Ca 0.06 2.50 0.00 0.00 -0.26 0.00 0.00 57.72 60.02 3abm n HIS 94 Cb 0.56 -3.66 0.00 0.00 1.12 0.00 0.00 29.99 28.02 3abm n HIS 94 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3abm n GLN 95 N -0.10 0.00 -0.61 -0.41 3.00 -1.26 -4.86 117.38 113.15 3abm n GLN 95 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3abm n GLN 95 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 3abm n GLN 95 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95