#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3abk n SER 2 N 0.00 0.00 0.00 0.00 3.41 -1.26 -5.20 113.62 110.57 3abk n SER 2 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3abk n SER 2 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3abk n SER 2 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3abk n GLY 3 N 2.32 2.62 0.00 5.00 0.00 -1.26 -5.17 105.19 108.71 3abk n GLY 3 Ca 0.00 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 43.89 3abk n GLY 3 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3abk n GLY 4 N -1.01 5.03 0.00 -0.02 0.00 -1.26 -5.01 105.19 102.92 3abk n GLY 4 Ca 0.00 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.35 3abk n GLY 4 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3abk n GLY 5 N 5.00 0.69 3.52 -0.02 0.00 -1.26 -5.08 105.19 108.03 3abk n GLY 5 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 3abk n GLY 5 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3abk s VAL 6 N -2.00 4.40 0.90 1.61 1.01 -1.26 -5.11 120.40 119.96 3abk s VAL 6 Ca 0.00 -0.16 -0.11 0.00 0.00 0.00 0.00 61.98 61.72 3abk s VAL 6 Cb 0.00 -3.01 0.14 0.00 0.00 0.00 0.00 36.38 33.50 3abk s VAL 6 CO 0.00 0.40 1.10 -2.16 0.00 0.00 0.00 175.10 174.45 3abk s PRO 7 N 1.01 1.16 0.36 2.72 0.04 -1.26 -5.03 135.00 134.00 3abk s PRO 7 Ca 0.03 1.18 0.08 0.00 0.04 0.00 0.00 61.00 62.33 3abk s PRO 7 Cb -0.14 -1.77 -0.03 0.00 0.04 0.00 0.00 34.50 32.60 3abk s PRO 7 CO 0.03 -2.41 0.29 0.95 0.04 0.00 0.00 177.00 175.90 3abk s THR 8 N -2.76 3.16 0.25 1.26 -4.23 -1.26 -4.99 115.64 107.07 3abk s THR 8 Ca 0.65 -1.42 -0.06 0.00 -1.18 0.00 0.00 61.69 59.68 3abk s THR 8 Cb -0.20 -3.09 0.26 0.00 1.34 0.00 0.00 72.50 70.80 3abk s THR 8 CO 0.58 -0.12 1.92 0.44 -0.54 0.00 0.00 174.62 176.91 3abk h ASP 9 N 1.23 1.14 -0.84 3.99 3.32 -1.96 -0.61 116.42 122.68 3abk h ASP 9 Ca -0.43 -0.03 0.17 0.00 0.02 0.00 0.00 57.03 56.76 3abk h ASP 9 Cb 1.26 -0.28 -0.11 0.00 0.22 0.00 0.00 39.33 40.42 3abk h ASP 9 CO 0.59 0.81 0.38 -0.08 -1.72 0.00 0.00 179.24 179.22 3abk h GLU 10 N 1.33 0.48 0.01 3.56 4.57 -1.95 0.68 114.58 123.26 3abk h GLU 10 Ca 0.37 -0.03 -0.21 0.00 -1.18 0.00 0.00 59.36 58.31 3abk h GLU 10 Cb -0.12 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 28.36 3abk h GLU 10 CO -0.09 0.32 -0.92 0.93 -1.18 0.00 0.00 179.01 178.06 3abk h GLU 11 N 0.49 0.31 0.00 1.92 5.08 -1.78 -3.42 114.58 117.17 3abk h GLU 11 Ca 0.48 -0.34 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 3abk h GLU 11 Cb 0.79 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.14 3abk h GLU 11 CO -0.43 1.04 -0.62 0.94 -1.00 0.00 0.00 179.01 178.94 3abk n GLN 12 N -3.70 2.35 -1.62 2.33 7.27 -0.30 -4.96 117.38 118.75 3abk n GLN 12 Ca -0.05 0.00 -0.43 0.00 0.07 0.00 0.00 57.00 56.59 3abk n GLN 12 Cb 0.83 -0.81 -0.00 0.00 2.41 0.00 0.00 30.24 32.67 3abk n GLN 12 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3abk n ALA 13 N -1.07 0.27 -3.57 1.69 0.00 0.14 -4.98 120.51 112.98 3abk n ALA 13 Ca 0.00 0.30 -0.10 0.00 0.00 0.00 0.00 53.44 53.64 3abk n ALA 13 Cb 0.09 -2.10 -0.03 0.00 0.00 0.00 0.00 19.45 17.41 3abk n ALA 13 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 3abk n THR 14 N -0.12 0.00 -0.94 0.00 5.66 -1.26 -4.67 114.28 112.95 3abk n THR 14 Ca 0.08 -1.10 0.00 0.00 -3.05 0.00 0.00 64.05 59.99 3abk n THR 14 Cb 0.36 0.56 0.00 0.00 -1.55 0.00 0.00 70.33 69.70 3abk n THR 14 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3abk n GLY 15 N -0.29 2.16 0.19 1.09 0.00 -1.26 -1.45 105.19 105.63 3abk n GLY 15 Ca 0.03 -0.20 0.07 0.00 0.00 0.00 0.00 46.02 45.92 3abk n GLY 15 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3abk h LEU 16 N 0.00 0.00 -0.37 0.99 5.85 -1.99 -2.59 115.31 117.20 3abk h LEU 16 Ca 0.00 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 3abk h LEU 16 Cb 0.00 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 3abk h LEU 16 CO 0.00 0.33 0.12 -0.08 -0.34 0.00 0.00 178.44 178.47 3abk h GLU 17 N 0.00 0.57 -0.43 1.25 4.81 -1.81 -0.91 114.58 118.07 3abk h GLU 17 Ca -0.00 -0.12 -0.07 0.00 -0.13 0.00 0.00 59.36 59.04 3abk h GLU 17 Cb 0.97 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.25 3abk h GLU 17 CO 0.04 0.58 0.00 -0.09 -0.73 0.00 0.00 179.01 178.81 3abk h ARG 18 N 0.45 0.76 -0.69 1.92 2.43 -1.09 0.05 114.38 118.20 3abk h ARG 18 Ca 0.12 -0.24 0.07 0.00 -0.81 0.00 0.00 59.98 59.12 3abk h ARG 18 Cb 0.24 -0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 29.66 3abk h ARG 18 CO -0.01 0.83 0.37 0.93 -1.51 0.00 0.00 179.97 180.58 3abk h GLU 19 N 0.60 0.64 -0.27 0.20 5.08 -1.24 0.44 114.58 120.03 3abk h GLU 19 Ca 0.12 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.31 3abk h GLU 19 Cb 0.48 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 3abk h GLU 19 CO 0.02 0.43 -0.37 0.28 -1.00 0.00 0.00 179.01 178.37 3abk h VAL 20 N 0.66 1.29 -0.21 3.13 2.07 -0.88 -1.45 116.25 120.87 3abk h VAL 20 Ca 0.32 -1.52 -0.03 0.00 0.82 0.00 0.00 66.70 66.29 3abk h VAL 20 Cb 0.26 1.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 3abk h VAL 20 CO -0.22 0.49 -0.01 -0.03 0.02 0.00 0.00 177.57 177.82 3abk h MET 21 N 0.51 0.37 -0.41 1.57 1.85 0.42 -1.66 114.93 117.59 3abk h MET 21 Ca 0.05 -0.12 -0.15 0.00 -0.61 0.00 0.00 59.70 58.87 3abk h MET 21 Cb 0.88 -0.03 -0.01 0.00 0.43 0.00 0.00 31.60 32.86 3abk h MET 21 CO 0.08 0.57 -0.32 -0.07 -0.40 0.00 0.00 176.91 176.77 3abk h LEU 22 N 0.12 0.97 -0.46 3.39 3.38 -0.10 -0.96 115.31 121.66 3abk h LEU 22 Ca 0.06 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.62 3abk h LEU 22 Cb 0.41 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3abk h LEU 22 CO 0.01 1.20 0.29 0.00 0.09 0.00 0.00 178.44 180.03 3abk h ALA 23 N 0.86 0.59 -0.47 1.53 0.00 -1.28 -2.61 119.26 117.86 3abk h ALA 23 Ca 0.08 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.03 3abk h ALA 23 Cb 0.90 -0.19 -0.08 0.00 0.00 0.00 0.00 17.79 18.42 3abk h ALA 23 CO 0.08 0.06 0.00 0.00 0.00 0.00 0.00 179.25 179.40 3abk h ALA 24 N 1.15 0.45 -0.88 0.00 0.00 -0.92 0.40 119.26 119.45 3abk h ALA 24 Ca 0.17 0.14 0.21 0.00 0.00 0.00 0.00 54.91 55.43 3abk h ALA 24 Cb -0.03 0.23 -0.12 0.00 0.00 0.00 0.00 17.79 17.87 3abk h ALA 24 CO -0.03 -0.38 0.38 -0.09 0.00 0.00 0.00 179.25 179.13 3abk h ARG 25 N 0.12 0.40 -0.14 0.00 2.43 -0.81 0.16 114.38 116.54 3abk h ARG 25 Ca 0.24 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 3abk h ARG 25 Cb 0.35 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 3abk h ARG 25 CO -0.39 0.26 0.00 1.63 -1.51 0.00 0.00 179.97 179.96 3abk n LYS 26 N -5.04 1.33 -2.47 0.20 5.02 -0.81 -4.92 118.16 111.48 3abk n LYS 26 Ca 0.21 -0.52 -0.18 0.00 -2.02 0.00 0.00 58.31 55.81 3abk n LYS 26 Cb 0.63 -1.15 -0.01 0.00 -0.02 0.00 0.00 35.03 34.49 3abk n LYS 26 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3abk n GLY 27 N 0.76 -0.50 3.77 0.72 0.00 0.57 -5.02 105.19 105.49 3abk n GLY 27 Ca 0.06 0.01 -0.22 0.00 0.00 0.00 0.00 46.02 45.87 3abk n GLY 27 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3abk s GLN 28 N -5.10 2.72 -0.43 1.61 -0.21 0.07 -4.98 119.66 113.33 3abk s GLN 28 Ca 0.03 -1.17 0.08 0.00 0.02 0.00 0.00 55.36 54.32 3abk s GLN 28 Cb -0.01 -2.43 0.27 0.00 1.00 0.00 0.00 33.01 31.83 3abk s GLN 28 CO 0.03 0.39 0.60 -3.47 -2.12 0.00 0.00 175.29 170.72 3abk n ASP 29 N -1.07 0.95 0.26 5.90 2.03 -1.26 -3.38 116.55 119.97 3abk n ASP 29 Ca -0.07 -2.89 0.16 0.00 0.52 0.00 0.00 54.79 52.51 3abk n ASP 29 Cb 0.58 -0.64 0.56 0.00 -0.72 0.00 0.00 41.12 40.91 3abk n ASP 29 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3abk h PRO 30 N 3.83 0.00 -0.67 -0.67 0.13 -1.97 -2.90 132.00 129.76 3abk h PRO 30 Ca 0.10 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.96 3abk h PRO 30 Cb 0.85 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 31.82 3abk h PRO 30 CO 0.53 0.00 0.26 0.66 -0.23 0.00 0.00 178.00 179.23 3abk n TYR 31 N -3.04 2.14 -3.44 1.56 4.02 -1.26 -4.97 117.16 112.17 3abk n TYR 31 Ca 0.01 -1.42 -0.25 0.00 -0.01 0.00 0.00 57.90 56.24 3abk n TYR 31 Cb 0.35 -0.67 0.04 0.00 -0.02 0.00 0.00 39.34 39.04 3abk n TYR 31 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3abk n ASN 32 N -0.67 -5.54 0.22 7.72 3.02 -1.09 -4.85 115.26 114.07 3abk n ASN 32 Ca 0.42 -0.49 0.12 0.00 -0.03 0.00 0.00 54.58 54.60 3abk n ASN 32 Cb 1.33 -4.44 0.23 0.00 -0.61 0.00 0.00 39.78 36.29 3abk n ASN 32 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 3abk h ILE 33 N -1.85 0.04 -2.52 2.41 2.04 -1.94 -3.45 117.51 112.24 3abk h ILE 33 Ca -0.54 -0.99 -0.59 0.00 1.00 0.00 0.00 64.86 63.74 3abk h ILE 33 Cb 1.36 1.96 -0.12 0.00 -0.74 0.00 0.00 36.82 39.28 3abk h ILE 33 CO 0.59 0.02 -0.69 -0.76 0.00 0.00 0.00 178.15 177.31 3abk s LEU 34 N -6.22 3.04 -0.11 1.44 1.43 -1.26 -5.09 118.68 111.91 3abk s LEU 34 Ca 0.06 -0.66 -0.30 0.00 -1.03 0.00 0.00 54.13 52.21 3abk s LEU 34 Cb 0.06 -1.63 -0.02 0.00 0.03 0.00 0.00 46.19 44.63 3abk s LEU 34 CO 0.66 0.05 1.20 0.00 0.23 0.00 0.00 176.35 178.48 3abk s ALA 35 N -2.10 3.56 0.55 4.21 0.00 -1.26 -5.04 121.76 121.68 3abk s ALA 35 Ca 0.29 0.52 -0.22 0.00 0.00 0.00 0.00 51.96 52.55 3abk s ALA 35 Cb -0.07 -3.55 -0.05 0.00 0.00 0.00 0.00 23.12 19.45 3abk s ALA 35 CO 0.17 -0.91 1.35 -1.25 0.00 0.00 0.00 175.76 175.13 3abk s PRO 36 N 2.69 3.15 0.10 0.00 0.04 -1.26 -5.02 135.00 134.71 3abk s PRO 36 Ca 0.54 2.22 -0.21 0.00 0.04 0.00 0.00 61.00 63.59 3abk s PRO 36 Cb -0.23 -2.25 -0.07 0.00 0.04 0.00 0.00 34.50 31.99 3abk s PRO 36 CO 0.18 -1.18 0.63 0.15 0.04 0.00 0.00 177.00 176.82 3abk s LYS 37 N -2.91 4.30 0.60 4.56 3.01 -1.26 -5.06 119.74 122.97 3abk s LYS 37 Ca 0.72 0.85 -0.16 0.00 -1.01 0.00 0.00 55.97 56.37 3abk s LYS 37 Cb -0.40 -3.23 -0.03 0.00 -1.01 0.00 0.00 37.83 33.16 3abk s LYS 37 CO 0.47 0.61 1.08 0.00 0.51 0.00 0.00 175.35 178.03 3abk s ALA 38 N -1.14 2.66 0.20 5.17 0.00 -1.26 -5.00 121.76 122.39 3abk s ALA 38 Ca 0.31 0.52 0.01 0.00 0.00 0.00 0.00 51.96 52.80 3abk s ALA 38 Cb -0.20 -3.28 0.02 0.00 0.00 0.00 0.00 23.12 19.66 3abk s ALA 38 CO 0.21 -0.92 0.16 0.25 0.00 0.00 0.00 175.76 175.46 3abk n THR 39 N -1.98 0.00 0.30 0.00 -2.24 -1.26 -4.96 114.28 104.15 3abk n THR 39 Ca 0.10 -0.34 0.19 0.00 -2.27 0.00 0.00 64.05 61.73 3abk n THR 39 Cb 0.52 -1.01 0.89 0.00 -2.10 0.00 0.00 70.33 68.62 3abk n THR 39 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3abk h SER 40 N -0.02 0.00 -0.96 3.42 4.64 -1.93 -3.47 113.55 115.23 3abk h SER 40 Ca -0.05 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.03 3abk h SER 40 Cb 0.23 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.25 3abk h SER 40 CO 0.07 0.00 -0.25 0.61 -0.87 0.00 0.00 176.83 176.39 3abk n GLY 41 N -0.55 0.79 3.92 -0.77 0.00 -0.64 -4.92 105.19 103.02 3abk n GLY 41 Ca -0.01 -0.45 -0.27 0.00 0.00 0.00 0.00 46.02 45.29 3abk n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3abk s THR 42 N -2.49 2.16 0.34 2.61 -4.23 -1.15 -0.22 115.64 112.66 3abk s THR 42 Ca 0.00 -0.16 0.06 0.00 -1.18 0.00 0.00 61.69 60.41 3abk s THR 42 Cb 0.00 -3.00 0.30 0.00 1.34 0.00 0.00 72.50 71.14 3abk s THR 42 CO 0.00 0.00 1.90 0.50 -0.54 0.00 0.00 174.62 176.48 3abk h LYS 43 N -0.79 0.78 0.00 3.99 3.64 -1.95 -0.91 116.57 121.33 3abk h LYS 43 Ca -0.45 -0.05 -0.14 0.00 -1.27 0.00 0.00 60.65 58.74 3abk h LYS 43 Cb 1.32 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.95 3abk h LYS 43 CO 0.62 0.51 -0.66 0.93 -2.27 0.00 0.00 179.45 178.59 3abk h GLU 44 N 0.80 0.00 -2.10 1.90 3.07 -2.02 -3.38 114.58 112.86 3abk h GLU 44 Ca 0.40 0.00 -0.55 0.00 -0.50 0.00 0.00 59.36 58.70 3abk h GLU 44 Cb 0.45 0.00 -0.41 0.00 -0.84 0.00 0.00 28.75 27.96 3abk h GLU 44 CO -0.16 0.66 -0.92 -3.47 -1.40 0.00 0.00 179.01 173.71 3abk n ASP 45 N -3.49 1.99 -4.75 1.42 4.64 -0.46 -5.11 116.55 110.79 3abk n ASP 45 Ca 0.00 -3.14 -0.35 0.00 -1.38 0.00 0.00 54.79 49.92 3abk n ASP 45 Cb 0.72 -0.63 0.04 0.00 -1.04 0.00 0.00 41.12 40.21 3abk n ASP 45 CO 0.00 0.00 0.00 -2.16 -0.82 0.00 0.00 177.20 174.22 3abk s PRO 46 N -2.24 2.91 0.33 -0.67 0.04 -0.52 -1.62 135.00 133.24 3abk s PRO 46 Ca 0.40 1.74 -0.29 0.00 0.04 0.00 0.00 61.00 62.89 3abk s PRO 46 Cb 0.23 -1.93 -0.10 0.00 0.04 0.00 0.00 34.50 32.74 3abk s PRO 46 CO -0.08 -1.23 1.30 -0.80 0.04 0.00 0.00 177.00 176.23 3abk s ASN 47 N -1.78 6.78 -0.18 6.66 0.01 -0.32 -4.80 114.94 121.31 3abk s ASN 47 Ca 0.75 2.68 -0.03 0.00 -0.71 0.00 0.00 52.86 55.55 3abk s ASN 47 Cb -0.28 -2.65 -0.01 0.00 0.41 0.00 0.00 41.25 38.72 3abk s ASN 47 CO 0.34 -0.53 -0.06 -0.76 -1.51 0.00 0.00 177.10 174.59 3abk s LEU 48 N -1.78 2.94 -0.37 0.60 1.02 -1.26 -0.25 118.68 119.58 3abk s LEU 48 Ca 0.49 -0.31 -0.02 0.00 0.02 0.00 0.00 54.13 54.30 3abk s LEU 48 Cb -0.40 -1.72 0.09 0.00 0.02 0.00 0.00 46.19 44.18 3abk s LEU 48 CO 0.53 0.07 0.13 -0.69 0.02 0.00 0.00 176.35 176.41 3abk s VAL 49 N 0.94 3.19 0.50 -1.59 1.01 -0.58 -4.92 120.40 118.94 3abk s VAL 49 Ca -0.01 -1.81 -0.22 0.00 0.00 0.00 0.00 61.98 59.94 3abk s VAL 49 Cb -0.15 -3.07 -0.06 0.00 0.00 0.00 0.00 36.38 33.11 3abk s VAL 49 CO 0.01 -0.48 1.22 -2.16 0.00 0.00 0.00 175.10 173.68 3abk s PRO 50 N 1.18 3.48 0.03 2.72 0.04 -1.26 0.15 135.00 141.35 3abk s PRO 50 Ca 0.04 1.89 -0.11 0.00 0.04 0.00 0.00 61.00 62.86 3abk s PRO 50 Cb -0.21 -2.29 0.01 0.00 0.04 0.00 0.00 34.50 32.05 3abk s PRO 50 CO -0.03 -0.81 0.24 0.45 0.04 0.00 0.00 177.00 176.88 3abk s SER 51 N -1.30 -0.04 0.00 6.66 0.15 -0.92 -4.81 113.70 113.43 3abk s SER 51 Ca 0.68 -0.27 0.16 0.00 0.70 0.00 0.00 55.95 57.22 3abk s SER 51 Cb -0.32 0.31 0.70 0.00 -1.71 0.00 0.00 66.02 65.00 3abk s SER 51 CO 0.37 -0.56 1.49 2.30 1.20 0.00 0.00 173.24 178.04 3abk n ILE 52 N 0.73 0.16 -2.78 6.45 -5.35 -1.26 0.97 119.36 118.29 3abk n ILE 52 Ca -0.19 -0.22 0.00 0.00 -0.27 0.00 0.00 62.75 62.07 3abk n ILE 52 Cb 0.59 0.11 0.00 0.00 -1.74 0.00 0.00 39.64 38.59 3abk n ILE 52 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 3abk n THR 53 N -0.08 0.00 -0.17 7.28 -2.24 -1.26 -4.46 114.28 113.34 3abk n THR 53 Ca 0.13 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 62.03 3abk n THR 53 Cb 0.20 0.00 0.29 0.00 -2.10 0.00 0.00 70.33 68.73 3abk n THR 53 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3abk n ASN 54 N 0.00 3.82 -3.57 3.42 3.02 -1.26 -4.68 115.26 116.01 3abk n ASN 54 Ca 0.00 -2.00 -0.16 0.00 -0.03 0.00 0.00 54.58 52.40 3abk n ASN 54 Cb 0.00 -0.42 -0.06 0.00 -0.61 0.00 0.00 39.78 38.69 3abk n ASN 54 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 3abk s LYS 55 N -1.14 0.93 -0.03 3.52 -2.85 -1.26 -0.13 119.74 118.78 3abk s LYS 55 Ca 0.46 0.58 -0.04 0.00 -1.00 0.00 0.00 55.97 55.97 3abk s LYS 55 Cb 0.25 0.44 0.01 0.00 -2.06 0.00 0.00 37.83 36.47 3abk s LYS 55 CO 0.33 -0.22 0.11 0.50 0.10 0.00 0.00 175.35 176.17 3abk s ARG 56 N -0.46 0.23 0.13 1.78 3.52 -0.07 -4.93 118.95 119.14 3abk s ARG 56 Ca -0.05 -0.04 -0.31 0.00 -0.13 0.00 0.00 55.73 55.20 3abk s ARG 56 Cb -0.02 0.10 -0.08 0.00 -1.56 0.00 0.00 34.95 33.39 3abk s ARG 56 CO 0.05 -0.04 1.38 0.42 -0.81 0.00 0.00 175.30 176.30 3abk s ILE 57 N -0.40 3.26 -0.04 4.11 1.01 -1.26 0.12 121.20 128.00 3abk s ILE 57 Ca -0.05 0.93 0.01 0.00 0.00 0.00 0.00 60.65 61.55 3abk s ILE 57 Cb -0.03 -3.60 -0.03 0.00 0.01 0.00 0.00 42.46 38.81 3abk s ILE 57 CO 0.00 0.09 -0.04 -0.69 0.00 0.00 0.00 174.94 174.30 3abk s VAL 58 N 0.90 3.88 -0.16 2.92 1.01 0.54 -4.91 120.40 124.58 3abk s VAL 58 Ca 0.63 -0.55 -0.03 0.00 0.00 0.00 0.00 61.98 62.03 3abk s VAL 58 Cb -0.37 -2.65 -0.02 0.00 0.00 0.00 0.00 36.38 33.34 3abk s VAL 58 CO 0.32 0.50 -0.06 -0.83 0.00 0.00 0.00 175.10 175.02 3abk s GLY 59 N -1.15 1.65 -0.17 4.51 0.00 -1.26 -1.49 107.32 109.41 3abk s GLY 59 Ca 0.15 -0.91 -0.03 0.00 0.00 0.00 0.00 44.72 43.93 3abk s GLY 59 CO 0.05 -0.00 -0.06 0.00 0.00 0.00 0.00 173.10 173.09 3abk s ILE 61 N 0.67 4.80 0.29 0.00 1.01 -1.26 -0.82 121.20 125.89 3abk s ILE 61 Ca -0.03 -1.28 -0.00 0.00 0.00 0.00 0.00 60.65 59.33 3abk s ILE 61 Cb -0.15 -4.63 0.28 0.00 0.01 0.00 0.00 42.46 37.97 3abk s ILE 61 CO 0.02 -1.31 1.91 0.00 0.00 0.00 0.00 174.94 175.56 3abk s GLU 63 N -5.93 0.60 0.30 0.00 2.02 -1.26 -5.06 118.70 109.36 3abk s GLU 63 Ca -0.12 -0.86 -0.30 0.00 0.02 0.00 0.00 54.97 53.72 3abk s GLU 63 Cb 0.20 -0.32 -0.12 0.00 0.10 0.00 0.00 34.13 33.99 3abk s GLU 63 CO 0.80 0.05 1.57 -1.91 0.02 0.00 0.00 175.26 175.79 3abk n GLU 64 N 1.22 2.65 -0.63 1.61 2.13 -1.26 -1.08 120.64 125.29 3abk n GLU 64 Ca -0.21 0.94 0.00 0.00 0.66 0.00 0.00 57.16 58.55 3abk n GLU 64 Cb 0.55 -2.71 0.00 0.00 0.27 0.00 0.00 31.44 29.55 3abk n GLU 64 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 3abk n ASP 65 N 1.96 0.00 -4.71 4.31 10.43 -1.26 -4.98 116.55 122.29 3abk n ASP 65 Ca 0.08 0.00 -0.43 0.00 2.57 0.00 0.00 54.79 57.01 3abk n ASP 65 Cb 0.37 -0.35 -0.02 0.00 1.84 0.00 0.00 41.12 42.96 3abk n ASP 65 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 3abk n ASN 66 N 0.00 3.21 0.06 -2.24 4.13 -0.24 -4.87 115.26 115.31 3abk n ASN 66 Ca 0.00 1.17 -0.03 0.00 1.68 0.00 0.00 54.58 57.39 3abk n ASN 66 Cb 0.00 -1.51 -0.08 0.00 -1.54 0.00 0.00 39.78 36.65 3abk n ASN 66 CO 0.00 0.00 0.00 0.77 0.28 0.00 0.00 177.26 178.31 3abk h SER 67 N 3.88 0.00 -3.13 6.41 4.64 -1.93 -3.45 113.55 119.96 3abk h SER 67 Ca -0.46 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.28 3abk h SER 67 Cb 1.26 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.30 3abk h SER 67 CO 0.73 0.78 0.72 -0.89 -0.87 0.00 0.00 176.83 177.30 3abk s THR 68 N -2.80 4.68 -0.15 2.95 2.01 -1.26 -5.04 115.64 116.03 3abk s THR 68 Ca -0.00 1.99 -0.07 0.00 0.31 0.00 0.00 61.69 63.92 3abk s THR 68 Cb 0.09 -4.28 -0.04 0.00 0.01 0.00 0.00 72.50 68.27 3abk s THR 68 CO 0.80 -0.11 0.10 -0.69 -0.69 0.00 0.00 174.62 174.03 3abk s VAL 69 N 2.78 5.17 -0.30 3.82 1.01 -1.26 -4.67 120.40 126.94 3abk s VAL 69 Ca 0.46 0.09 -0.12 0.00 0.00 0.00 0.00 61.98 62.42 3abk s VAL 69 Cb -0.17 -3.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.89 3abk s VAL 69 CO 0.11 0.54 0.23 -0.63 0.00 0.00 0.00 175.10 175.36 3abk s ILE 70 N -0.39 5.28 -0.10 2.22 -1.09 -0.00 -4.86 121.20 122.26 3abk s ILE 70 Ca 0.11 0.06 -0.01 0.00 -2.23 0.00 0.00 60.65 58.58 3abk s ILE 70 Cb -0.12 -3.62 -0.03 0.00 -1.58 0.00 0.00 42.46 37.11 3abk s ILE 70 CO 0.02 0.13 -0.06 0.26 -1.23 0.00 0.00 174.94 174.06 3abk s TRP 71 N 1.79 2.97 -0.12 3.97 0.52 -1.26 0.12 118.94 126.93 3abk s TRP 71 Ca 0.08 -0.11 -0.30 0.00 0.02 0.00 0.00 56.10 55.79 3abk s TRP 71 Cb -0.16 -1.80 0.09 0.00 -1.15 0.00 0.00 33.47 30.44 3abk s TRP 71 CO 0.11 0.19 0.78 -0.59 0.02 0.00 0.00 176.95 177.46 3abk s PHE 72 N -0.37 -0.61 0.04 -1.98 -0.12 -0.56 -5.00 117.98 109.38 3abk s PHE 72 Ca 0.06 1.15 -0.30 0.00 -0.05 0.00 0.00 56.93 57.78 3abk s PHE 72 Cb -0.12 0.39 -0.05 0.00 -0.63 0.00 0.00 43.02 42.61 3abk s PHE 72 CO 0.02 -0.49 1.19 -1.58 -0.05 0.00 0.00 175.22 174.31 3abk s TRP 73 N -0.84 3.38 -0.29 3.49 0.52 -1.26 -0.34 118.94 123.61 3abk s TRP 73 Ca -0.06 1.29 -0.09 0.00 0.02 0.00 0.00 56.10 57.25 3abk s TRP 73 Cb -0.01 -3.41 -0.02 0.00 -1.15 0.00 0.00 33.47 28.87 3abk s TRP 73 CO 0.06 -1.26 0.14 -1.17 0.02 0.00 0.00 176.95 174.74 3abk s LEU 74 N 1.31 3.94 0.03 2.99 2.96 0.32 -4.92 118.68 125.32 3abk s LEU 74 Ca 0.58 -0.32 -0.04 0.00 -0.22 0.00 0.00 54.13 54.13 3abk s LEU 74 Cb -0.28 -2.01 -0.04 0.00 0.50 0.00 0.00 46.19 44.35 3abk s LEU 74 CO 0.28 -0.12 0.25 -1.00 -1.32 0.00 0.00 176.35 174.43 3abk s HIS 75 N 1.65 3.54 0.25 5.38 3.76 -1.26 -0.90 115.29 127.72 3abk s HIS 75 Ca 0.06 0.44 -0.31 0.00 -0.15 0.00 0.00 55.06 55.10 3abk s HIS 75 Cb -0.16 -1.90 -0.13 0.00 1.11 0.00 0.00 32.58 31.49 3abk s HIS 75 CO 0.07 0.59 1.34 1.17 -0.85 0.00 0.00 174.74 177.06 3abk n LYS 76 N 0.76 1.92 0.00 1.40 4.81 0.82 -4.48 118.16 123.38 3abk n LYS 76 Ca -0.09 0.68 0.00 0.00 -0.87 0.00 0.00 58.31 58.03 3abk n LYS 76 Cb 0.52 -2.29 0.00 0.00 0.02 0.00 0.00 35.03 33.28 3abk n LYS 76 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3abk n GLY 77 N 1.88 0.43 3.78 3.14 0.00 -1.26 -5.05 105.19 108.10 3abk n GLY 77 Ca 0.11 -1.63 -0.34 0.00 0.00 0.00 0.00 46.02 44.15 3abk n GLY 77 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3abk s GLU 78 N -1.25 3.23 0.28 1.61 2.12 -1.26 -4.64 118.70 118.78 3abk s GLU 78 Ca 0.00 1.49 -0.29 0.00 0.36 0.00 0.00 54.97 56.53 3abk s GLU 78 Cb 0.00 -2.00 -0.14 0.00 0.26 0.00 0.00 34.13 32.25 3abk s GLU 78 CO 0.00 -0.93 1.20 0.00 -0.54 0.00 0.00 175.26 174.99 3abk n ALA 79 N -1.65 0.43 -2.67 6.30 0.00 -1.26 -4.90 120.51 116.77 3abk n ALA 79 Ca 0.11 0.40 -0.23 0.00 0.00 0.00 0.00 53.44 53.72 3abk n ALA 79 Cb 0.52 -2.14 -0.07 0.00 0.00 0.00 0.00 19.45 17.75 3abk n ALA 79 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3abk s GLN 80 N -1.21 2.38 0.01 0.00 -0.21 -0.11 -4.92 119.66 115.60 3abk s GLN 80 Ca 0.62 -1.35 0.05 0.00 0.02 0.00 0.00 55.36 54.69 3abk s GLN 80 Cb -0.67 -2.22 -0.03 0.00 1.00 0.00 0.00 33.01 31.08 3abk s GLN 80 CO 0.57 0.37 -0.12 1.03 -2.12 0.00 0.00 175.29 175.02 3abk s ARG 81 N -3.65 2.37 0.23 2.91 0.52 -1.26 -0.74 118.95 119.31 3abk s ARG 81 Ca 0.31 -0.81 -0.32 0.00 -0.52 0.00 0.00 55.73 54.39 3abk s ARG 81 Cb -0.07 -2.37 -0.12 0.00 0.52 0.00 0.00 34.95 32.91 3abk s ARG 81 CO 0.20 0.58 1.63 0.00 0.02 0.00 0.00 175.30 177.73 3abk h PRO 83 N 5.79 0.00 0.00 0.00 0.13 -1.96 0.50 132.00 136.46 3abk h PRO 83 Ca -0.45 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.31 3abk h PRO 83 Cb 1.23 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.30 3abk h PRO 83 CO 0.88 0.00 -2.10 0.45 -0.23 0.00 0.00 178.00 177.00 3abk n SER 84 N -2.60 1.93 -0.22 1.44 2.88 -1.26 -4.76 113.62 111.02 3abk n SER 84 Ca -0.00 0.37 0.04 0.00 -1.33 0.00 0.00 58.87 57.94 3abk n SER 84 Cb 0.17 -0.85 0.01 0.00 -0.75 0.00 0.00 64.21 62.79 3abk n SER 84 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3abk n GLY 86 N 0.64 0.39 3.76 0.00 0.00 0.18 -4.92 105.19 105.22 3abk n GLY 86 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 3abk n GLY 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3abk s THR 87 N -2.11 2.84 0.00 2.61 -4.23 -1.26 -4.34 115.64 109.15 3abk s THR 87 Ca 0.00 0.47 -0.08 0.00 -1.18 0.00 0.00 61.69 60.90 3abk s THR 87 Cb 0.00 -3.09 -0.05 0.00 1.34 0.00 0.00 72.50 70.70 3abk s THR 87 CO 0.00 -0.17 0.28 -1.00 -0.54 0.00 0.00 174.62 173.19 3abk s HIS 88 N -1.90 3.59 -0.00 3.99 0.09 0.69 -0.96 115.29 120.80 3abk s HIS 88 Ca 0.73 0.62 0.01 0.00 -0.00 0.00 0.00 55.06 56.43 3abk s HIS 88 Cb -0.26 -2.03 -0.00 0.00 -0.00 0.00 0.00 32.58 30.29 3abk s HIS 88 CO 0.36 0.62 -0.05 0.71 -0.00 0.00 0.00 174.74 176.38 3abk s TYR 89 N -1.27 0.42 -0.01 1.40 2.02 0.08 -1.17 117.35 118.82 3abk s TYR 89 Ca 0.27 -0.08 0.02 0.00 -0.37 0.00 0.00 57.07 56.91 3abk s TYR 89 Cb -0.13 -0.28 -0.00 0.00 -0.40 0.00 0.00 41.96 41.15 3abk s TYR 89 CO 0.15 -0.01 -0.08 0.21 -1.57 0.00 0.00 175.55 174.25 3abk s LYS 90 N -0.09 0.75 0.17 -0.62 2.20 0.65 -0.94 119.74 121.87 3abk s LYS 90 Ca 0.02 -0.29 -0.27 0.00 -0.36 0.00 0.00 55.97 55.07 3abk s LYS 90 Cb -0.02 -0.72 -0.08 0.00 -1.51 0.00 0.00 37.83 35.50 3abk s LYS 90 CO -0.00 0.15 0.82 -1.17 -0.36 0.00 0.00 175.35 174.80 3abk s LEU 91 N -0.05 4.60 -0.47 5.43 2.96 -1.26 -1.53 118.68 128.35 3abk s LEU 91 Ca 0.01 1.72 0.04 0.00 -0.22 0.00 0.00 54.13 55.67 3abk s LEU 91 Cb -0.05 -3.38 0.12 0.00 0.50 0.00 0.00 46.19 43.38 3abk s LEU 91 CO -0.00 0.17 0.21 0.68 -1.32 0.00 0.00 176.35 176.09 3abk s VAL 92 N -1.03 2.36 0.22 1.68 -7.23 0.12 -4.76 120.40 111.76 3abk s VAL 92 Ca 0.38 -3.01 -0.30 0.00 -1.81 0.00 0.00 61.98 57.24 3abk s VAL 92 Cb -0.24 -2.66 -0.08 0.00 0.56 0.00 0.00 36.38 33.96 3abk s VAL 92 CO 0.28 -0.77 1.13 -2.84 -0.31 0.00 0.00 175.10 172.59 3abk s PRO 93 N 0.05 4.58 0.00 4.82 0.02 -1.26 -2.17 135.00 141.03 3abk s PRO 93 Ca 0.16 1.80 0.00 0.00 0.02 0.00 0.00 61.00 62.98 3abk s PRO 93 Cb -0.24 -3.23 0.00 0.00 0.02 0.00 0.00 34.50 31.05 3abk s PRO 93 CO -0.02 0.07 0.00 0.72 -0.33 0.00 0.00 177.00 177.44 3abk n HIS 94 N 1.97 0.00 0.00 6.54 8.25 0.27 -4.87 115.22 127.38 3abk n HIS 94 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 3abk n HIS 94 Cb 0.45 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.56 3abk n HIS 94 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3abk n GLN 95 N -1.96 0.00 0.00 -0.41 3.00 -1.26 -4.74 117.38 112.01 3abk n GLN 95 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3abk n GLN 95 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 3abk n GLN 95 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 3abk n LEU 96 N 0.00 0.00 -4.57 1.08 7.94 -1.26 -4.87 117.00 115.32 3abk n LEU 96 Ca 0.00 0.00 -0.30 0.00 -1.11 0.00 0.00 56.01 54.60 3abk n LEU 96 Cb 0.00 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 43.90 3abk n LEU 96 CO 0.00 0.00 1.47 0.00 -1.11 0.00 0.00 177.39 177.75 3abk s ALA 97 N -2.00 1.98 0.00 1.96 0.00 -1.26 -5.22 121.76 117.22 3abk s ALA 97 Ca 0.00 -1.95 0.00 0.00 0.00 0.00 0.00 51.96 50.01 3abk s ALA 97 Cb 0.00 -4.60 0.00 0.00 0.00 0.00 0.00 23.12 18.52 3abk s ALA 97 CO 0.00 -4.69 0.00 0.72 0.00 0.00 0.00 175.76 171.79