#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3abk s SER 2 N 0.00 -0.02 0.00 0.00 1.04 -1.26 -5.22 113.70 108.24 3abk s SER 2 Ca 0.00 -0.41 0.00 0.00 0.48 0.00 0.00 55.95 56.02 3abk s SER 2 Cb 0.00 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.44 3abk s SER 2 CO 0.00 -0.64 0.00 0.61 0.98 0.00 0.00 173.24 174.19 3abk n GLY 3 N -0.73 -1.24 0.00 7.32 0.00 -1.26 -5.23 105.19 104.05 3abk n GLY 3 Ca -0.01 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.11 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 0.00 5.27 0.33 -0.02 0.00 -1.26 -5.00 105.19 104.52 3abk n GLY 4 Ca 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.52 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 4.04 0.75 3.64 -0.02 0.00 -1.26 -5.07 105.19 107.27 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 -2.13 4.96 0.73 1.61 1.01 -1.26 -5.08 120.40 120.24 3abk s VAL 6 Ca 0.00 0.03 -0.15 0.00 0.00 0.00 0.00 61.98 61.86 3abk s VAL 6 Cb 0.00 -3.26 0.04 0.00 0.00 0.00 0.00 36.38 33.16 3abk s VAL 6 CO 0.00 0.43 1.21 -2.84 0.00 0.00 0.00 175.10 173.90 3abk s PRO 7 N 0.60 2.11 0.36 2.72 0.02 -1.26 -5.04 135.00 134.50 3abk s PRO 7 Ca 0.05 1.78 0.07 0.00 0.02 0.00 0.00 61.00 62.92 3abk s PRO 7 Cb -0.13 -1.83 -0.01 0.00 0.02 0.00 0.00 34.50 32.55 3abk s PRO 7 CO 0.01 -1.86 0.42 0.95 -0.33 0.00 0.00 177.00 176.19 3abk s THR 8 N -1.97 3.59 0.24 0.99 -4.23 -1.26 -5.00 115.64 108.01 3abk s THR 8 Ca 0.75 -1.15 -0.05 0.00 -1.18 0.00 0.00 61.69 60.06 3abk s THR 8 Cb -0.30 -3.23 0.22 0.00 1.34 0.00 0.00 72.50 70.53 3abk s THR 8 CO 0.46 -0.12 1.86 0.44 -0.54 0.00 0.00 174.62 176.72 3abk h ASP 9 N 0.98 0.89 -0.73 3.99 3.32 -1.96 -0.98 116.42 121.93 3abk h ASP 9 Ca -0.44 0.01 0.04 0.00 0.02 0.00 0.00 57.03 56.66 3abk h ASP 9 Cb 1.26 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 40.59 3abk h ASP 9 CO 0.54 0.58 0.48 -0.08 -1.72 0.00 0.00 179.24 179.04 3abk h GLU 10 N 1.03 0.84 0.03 3.56 4.57 -1.95 0.24 114.58 122.89 3abk h GLU 10 Ca 0.38 -0.05 -0.22 0.00 -1.18 0.00 0.00 59.36 58.29 3abk h GLU 10 Cb 0.14 -0.19 -0.00 0.00 -0.16 0.00 0.00 28.75 28.54 3abk h GLU 10 CO -0.16 0.56 -0.98 0.93 -1.18 0.00 0.00 179.01 178.17 3abk h GLU 11 N 0.87 0.29 0.00 1.92 5.08 -1.76 -3.42 114.58 117.56 3abk h GLU 11 Ca 0.30 -0.35 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3abk h GLU 11 Cb 0.09 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3abk h GLU 11 CO -0.09 1.07 -0.28 0.94 -1.00 0.00 0.00 179.01 179.65 3abk n GLN 12 N -3.66 3.23 -1.47 2.33 7.27 -0.44 -4.97 117.38 119.66 3abk n GLN 12 Ca -0.06 0.00 -0.36 0.00 0.07 0.00 0.00 57.00 56.65 3abk n GLN 12 Cb 0.87 -0.53 0.07 0.00 2.41 0.00 0.00 30.24 33.06 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 -0.61 -0.06 -2.86 1.69 0.00 0.72 -5.00 120.51 114.40 3abk n ALA 13 Ca 0.00 -0.11 -0.14 0.00 0.00 0.00 0.00 53.44 53.18 3abk n ALA 13 Cb 0.00 -2.12 -0.05 0.00 0.00 0.00 0.00 19.45 17.29 3abk n ALA 13 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3abk s THR 14 N -1.69 0.00 0.00 0.00 -1.32 -1.26 -4.68 115.64 106.69 3abk s THR 14 Ca 0.75 -1.62 0.00 0.00 -1.21 0.00 0.00 61.69 59.61 3abk s THR 14 Cb -0.37 -2.59 0.00 0.00 -1.51 0.00 0.00 72.50 68.03 3abk s THR 14 CO 0.48 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.50 3abk n GLY 15 N -0.54 1.84 0.25 6.08 0.00 -1.26 -1.14 105.19 110.42 3abk n GLY 15 Ca 0.01 -0.37 0.04 0.00 0.00 0.00 0.00 46.02 45.70 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 0.22 -0.21 0.99 5.85 -1.99 -1.87 115.31 118.30 3abk h LEU 16 Ca 0.00 -0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.72 3abk h LEU 16 Cb 0.00 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 3abk h LEU 16 CO 0.00 0.30 0.03 -0.08 -0.34 0.00 0.00 178.44 178.35 3abk h GLU 17 N 0.23 0.10 -0.43 1.25 4.81 -1.81 -0.69 114.58 118.05 3abk h GLU 17 Ca 0.05 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.23 3abk h GLU 17 Cb 0.23 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 3abk h GLU 17 CO 0.01 0.07 0.07 -0.09 -0.73 0.00 0.00 179.01 178.34 3abk h ARG 18 N 0.11 0.71 -0.52 1.92 2.43 -0.63 -1.30 114.38 117.10 3abk h ARG 18 Ca 0.09 -0.19 0.09 0.00 -0.81 0.00 0.00 59.98 59.16 3abk h ARG 18 Cb 0.10 -0.08 -0.07 0.00 -0.42 0.00 0.00 29.97 29.50 3abk h ARG 18 CO -0.13 0.74 0.13 0.93 -1.51 0.00 0.00 179.97 180.13 3abk h GLU 19 N 0.57 0.27 -0.78 0.20 5.08 -0.95 0.14 114.58 119.11 3abk h GLU 19 Ca 0.13 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 3abk h GLU 19 Cb 0.38 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.53 3abk h GLU 19 CO 0.01 0.18 0.45 0.28 -1.00 0.00 0.00 179.01 178.93 3abk h VAL 20 N 0.28 1.22 -0.41 3.13 2.07 -0.87 0.16 116.25 121.84 3abk h VAL 20 Ca 0.26 -0.51 -0.08 0.00 0.82 0.00 0.00 66.70 67.18 3abk h VAL 20 Cb 0.34 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 3abk h VAL 20 CO -0.32 0.24 -0.07 -0.03 0.02 0.00 0.00 177.57 177.41 3abk h MET 21 N 1.08 0.77 -0.02 1.57 -1.53 0.12 -1.60 114.93 115.31 3abk h MET 21 Ca 0.28 -0.28 -0.19 0.00 -3.44 0.00 0.00 59.70 56.07 3abk h MET 21 Cb -0.02 -0.05 0.01 0.00 -0.55 0.00 0.00 31.60 31.00 3abk h MET 21 CO -0.05 0.89 -0.73 -0.07 0.14 0.00 0.00 176.91 177.08 3abk h LEU 22 N 0.59 0.68 -1.49 3.39 3.38 -0.55 -2.55 115.31 118.76 3abk h LEU 22 Ca 0.11 -0.74 -0.01 0.00 0.09 0.00 0.00 57.88 57.33 3abk h LEU 22 Cb 0.59 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 3abk h LEU 22 CO 0.04 1.32 0.23 0.00 0.09 0.00 0.00 178.44 180.11 3abk h ALA 23 N 0.37 1.61 -0.18 1.53 0.00 -0.62 -2.60 119.26 119.36 3abk h ALA 23 Ca -0.09 -0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.61 3abk h ALA 23 Cb 1.42 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 3abk h ALA 23 CO 0.15 0.33 -0.48 0.00 0.00 0.00 0.00 179.25 179.25 3abk h ALA 24 N 1.67 0.84 0.00 0.00 0.00 -0.94 -1.41 119.26 119.42 3abk h ALA 24 Ca 0.15 -0.47 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 3abk h ALA 24 Cb 0.02 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3abk h ALA 24 CO -0.02 0.66 -0.20 -0.09 0.00 0.00 0.00 179.25 179.60 3abk h ARG 25 N 0.38 0.00 -0.05 0.00 2.43 -1.07 -2.33 114.38 113.73 3abk h ARG 25 Ca 0.02 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3abk h ARG 25 Cb 0.98 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.53 3abk h ARG 25 CO 0.09 0.20 0.00 1.63 -1.51 0.00 0.00 179.97 180.37 3abk n LYS 26 N -4.05 1.84 -1.42 0.20 5.02 -1.00 -4.95 118.16 113.80 3abk n LYS 26 Ca -0.02 -1.22 -0.06 0.00 -2.02 0.00 0.00 58.31 54.98 3abk n LYS 26 Cb 0.27 -1.47 -0.02 0.00 -0.02 0.00 0.00 35.03 33.80 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 1.22 0.68 3.82 0.72 0.00 -0.88 -5.03 105.19 105.72 3abk n GLY 27 Ca 0.18 -0.73 -0.24 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.98 2.96 -0.49 1.61 -0.21 -0.56 -5.02 119.66 114.97 3abk s GLN 28 Ca 0.00 -0.94 0.08 0.00 0.02 0.00 0.00 55.36 54.52 3abk s GLN 28 Cb 0.00 -2.63 0.34 0.00 1.00 0.00 0.00 33.01 31.72 3abk s GLN 28 CO 0.00 0.45 0.85 -3.47 -2.12 0.00 0.00 175.29 171.00 3abk n ASP 29 N -0.78 2.90 0.29 5.90 2.03 -1.26 -3.88 116.55 121.75 3abk n ASP 29 Ca -0.08 -3.39 0.15 0.00 0.52 0.00 0.00 54.79 51.99 3abk n ASP 29 Cb 0.56 -0.59 0.89 0.00 -0.72 0.00 0.00 41.12 41.27 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 3.02 0.00 -0.57 -0.67 0.13 -1.96 -2.22 132.00 129.72 3abk h PRO 30 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3abk h PRO 30 Cb 0.70 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.83 3abk h PRO 30 CO 0.68 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 179.11 3abk n TYR 31 N -3.90 1.44 -2.80 1.56 4.02 -1.26 -4.96 117.16 111.25 3abk n TYR 31 Ca -0.03 -0.65 -0.21 0.00 -0.01 0.00 0.00 57.90 57.00 3abk n TYR 31 Cb 0.09 -0.28 0.01 0.00 -0.02 0.00 0.00 39.34 39.14 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 0.80 -5.54 0.23 7.72 3.02 -0.84 -4.88 115.26 115.78 3abk n ASN 32 Ca 0.25 -0.16 0.07 0.00 -0.03 0.00 0.00 54.58 54.70 3abk n ASN 32 Cb 0.91 -4.54 0.55 0.00 -0.61 0.00 0.00 39.78 36.09 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 -0.76 1.01 -2.85 2.41 2.04 -1.93 -3.45 117.51 113.99 3abk h ILE 33 Ca -0.48 -0.60 -0.60 0.00 1.00 0.00 0.00 64.86 64.17 3abk h ILE 33 Cb 1.34 1.33 -0.11 0.00 -0.74 0.00 0.00 36.82 38.65 3abk h ILE 33 CO 0.55 0.17 -0.65 -0.76 0.00 0.00 0.00 178.15 177.45 3abk s LEU 34 N -8.36 3.33 -0.06 1.44 1.43 -1.26 -5.10 118.68 110.11 3abk s LEU 34 Ca -0.04 -0.39 -0.27 0.00 -1.03 0.00 0.00 54.13 52.41 3abk s LEU 34 Cb 0.15 -1.98 -0.03 0.00 0.03 0.00 0.00 46.19 44.36 3abk s LEU 34 CO 0.67 0.09 0.85 0.00 0.23 0.00 0.00 176.35 178.18 3abk s ALA 35 N -1.75 3.30 0.44 4.21 0.00 -1.26 -5.03 121.76 121.67 3abk s ALA 35 Ca 0.28 0.29 -0.23 0.00 0.00 0.00 0.00 51.96 52.30 3abk s ALA 35 Cb -0.09 -3.17 -0.08 0.00 0.00 0.00 0.00 23.12 19.77 3abk s ALA 35 CO 0.19 -0.26 1.07 -1.25 0.00 0.00 0.00 175.76 175.51 3abk s PRO 36 N 1.14 3.96 0.01 0.00 0.04 -1.26 -5.02 135.00 133.88 3abk s PRO 36 Ca 0.44 1.53 -0.19 0.00 0.04 0.00 0.00 61.00 62.82 3abk s PRO 36 Cb -0.19 -2.38 -0.06 0.00 0.04 0.00 0.00 34.50 31.91 3abk s PRO 36 CO 0.21 -0.32 0.54 0.21 0.04 0.00 0.00 177.00 177.68 3abk s LYS 37 N -2.75 4.20 0.83 4.56 2.47 -1.26 -5.06 119.74 122.73 3abk s LYS 37 Ca 0.62 0.65 -0.13 0.00 -1.56 0.00 0.00 55.97 55.55 3abk s LYS 37 Cb -0.22 -3.29 0.10 0.00 -1.46 0.00 0.00 37.83 32.96 3abk s LYS 37 CO 0.27 0.51 1.19 0.00 0.16 0.00 0.00 175.35 177.48 3abk n ALA 38 N 2.27 -0.19 -1.97 3.13 0.00 -1.26 -5.02 120.51 117.46 3abk n ALA 38 Ca -0.10 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 52.97 3abk n ALA 38 Cb 0.51 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.72 3abk n ALA 38 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3abk n THR 39 N -3.50 0.00 0.29 0.00 -2.24 -1.26 -4.97 114.28 102.60 3abk n THR 39 Ca 0.13 0.00 0.18 0.00 -2.27 0.00 0.00 64.05 62.09 3abk n THR 39 Cb 0.51 -1.42 0.87 0.00 -2.10 0.00 0.00 70.33 68.18 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 0.00 0.00 -1.62 3.42 4.64 -1.93 -3.47 113.55 114.59 3abk h SER 40 Ca 0.00 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.03 3abk h SER 40 Cb 0.00 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.04 3abk h SER 40 CO 0.00 0.04 -0.34 0.61 -0.87 0.00 0.00 176.83 176.27 3abk n GLY 41 N -0.51 0.31 3.95 -0.77 0.00 -0.90 -4.92 105.19 102.36 3abk n GLY 41 Ca -0.01 -0.30 -0.27 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.66 2.07 0.34 2.61 -4.23 -1.19 0.76 115.64 113.35 3abk s THR 42 Ca 0.00 -0.24 0.05 0.00 -1.18 0.00 0.00 61.69 60.32 3abk s THR 42 Cb 0.00 -2.83 0.30 0.00 1.34 0.00 0.00 72.50 71.31 3abk s THR 42 CO 0.00 0.00 1.92 0.50 -0.54 0.00 0.00 174.62 176.50 3abk h LYS 43 N -1.12 0.79 0.00 3.99 3.64 -1.95 -2.49 116.57 119.42 3abk h LYS 43 Ca -0.41 -0.05 -0.17 0.00 -1.27 0.00 0.00 60.65 58.74 3abk h LYS 43 Cb 1.26 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.87 3abk h LYS 43 CO 0.42 0.52 -0.83 0.93 -2.27 0.00 0.00 179.45 178.21 3abk h GLU 44 N 0.81 0.00 -2.15 1.90 3.07 -2.02 -3.37 114.58 112.82 3abk h GLU 44 Ca 0.37 0.00 -0.57 0.00 -0.50 0.00 0.00 59.36 58.66 3abk h GLU 44 Cb 0.37 0.00 -0.41 0.00 -0.84 0.00 0.00 28.75 27.87 3abk h GLU 44 CO -0.14 0.82 -0.82 -3.47 -1.40 0.00 0.00 179.01 174.00 3abk n ASP 45 N -3.30 2.82 -4.82 1.42 4.64 -0.96 -5.10 116.55 111.25 3abk n ASP 45 Ca 0.01 -3.31 -0.30 0.00 -1.38 0.00 0.00 54.79 49.80 3abk n ASP 45 Cb 0.87 -0.62 0.08 0.00 -1.04 0.00 0.00 41.12 40.41 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 -2.58 2.24 0.12 -0.67 0.04 -1.08 -2.12 135.00 130.95 3abk s PRO 46 Ca 0.42 0.61 -0.31 0.00 0.04 0.00 0.00 61.00 61.76 3abk s PRO 46 Cb 0.24 -1.94 -0.09 0.00 0.04 0.00 0.00 34.50 32.75 3abk s PRO 46 CO -0.08 -1.50 1.52 -0.80 0.04 0.00 0.00 177.00 176.17 3abk s ASN 47 N -3.99 6.67 -0.35 6.66 0.01 0.53 -4.78 114.94 119.70 3abk s ASN 47 Ca 0.60 2.48 -0.14 0.00 -0.71 0.00 0.00 52.86 55.09 3abk s ASN 47 Cb -0.14 -2.58 -0.01 0.00 0.41 0.00 0.00 41.25 38.93 3abk s ASN 47 CO 0.54 -0.78 0.31 -0.76 -1.51 0.00 0.00 177.10 174.90 3abk s LEU 48 N 1.50 4.51 -0.40 0.60 1.02 -1.26 -0.43 118.68 124.21 3abk s LEU 48 Ca 0.69 -0.34 -0.07 0.00 0.02 0.00 0.00 54.13 54.42 3abk s LEU 48 Cb -0.40 -2.25 0.07 0.00 0.02 0.00 0.00 46.19 43.63 3abk s LEU 48 CO 0.31 -0.31 0.21 -0.69 0.02 0.00 0.00 176.35 175.89 3abk s VAL 49 N 1.89 3.96 0.67 -1.59 1.01 -0.06 -4.95 120.40 121.34 3abk s VAL 49 Ca 0.09 -1.43 -0.16 0.00 0.00 0.00 0.00 61.98 60.49 3abk s VAL 49 Cb -0.17 -3.42 0.00 0.00 0.00 0.00 0.00 36.38 32.80 3abk s VAL 49 CO 0.11 -0.45 1.15 -2.84 0.00 0.00 0.00 175.10 173.07 3abk s PRO 50 N 1.38 2.66 -0.18 2.72 0.02 -1.26 -1.41 135.00 138.92 3abk s PRO 50 Ca 0.02 1.54 -0.24 0.00 0.02 0.00 0.00 61.00 62.34 3abk s PRO 50 Cb -0.22 -1.92 0.06 0.00 0.02 0.00 0.00 34.50 32.44 3abk s PRO 50 CO 0.01 -1.39 0.64 0.45 -0.33 0.00 0.00 177.00 176.38 3abk s SER 51 N -2.29 -0.65 0.00 2.53 0.15 -1.21 -4.83 113.70 107.40 3abk s SER 51 Ca 0.70 1.09 0.27 0.00 0.70 0.00 0.00 55.95 58.71 3abk s SER 51 Cb -0.24 1.07 1.46 0.00 -1.71 0.00 0.00 66.02 66.60 3abk s SER 51 CO 0.41 -0.34 1.92 2.30 1.20 0.00 0.00 173.24 178.73 3abk n ILE 52 N 2.19 0.09 -2.08 6.45 -5.35 -1.26 0.15 119.36 119.54 3abk n ILE 52 Ca -0.16 0.02 0.00 0.00 -0.27 0.00 0.00 62.75 62.35 3abk n ILE 52 Cb 0.56 -0.60 0.00 0.00 -1.74 0.00 0.00 39.64 37.86 3abk n ILE 52 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 3abk n THR 53 N -1.15 0.00 -0.30 7.28 -1.04 -1.26 -4.77 114.28 113.04 3abk n THR 53 Ca 0.16 0.00 0.07 0.00 -2.04 0.00 0.00 64.05 62.24 3abk n THR 53 Cb 0.15 0.00 0.21 0.00 -1.82 0.00 0.00 70.33 68.87 3abk n THR 53 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 3abk n ASN 54 N 0.00 3.32 -3.56 8.00 2.04 -1.26 -4.64 115.26 119.17 3abk n ASN 54 Ca 0.00 -2.09 -0.08 0.00 -0.44 0.00 0.00 54.58 51.97 3abk n ASN 54 Cb 0.00 -0.33 -0.03 0.00 -2.53 0.00 0.00 39.78 36.89 3abk n ASN 54 CO 0.00 0.00 0.00 -1.59 -0.44 0.00 0.00 177.26 175.23 3abk s LYS 55 N -1.16 0.57 -0.16 -3.83 -2.85 -1.26 -0.56 119.74 110.49 3abk s LYS 55 Ca 0.32 -0.09 -0.25 0.00 -1.00 0.00 0.00 55.97 54.95 3abk s LYS 55 Cb 0.18 0.27 0.06 0.00 -2.06 0.00 0.00 37.83 36.28 3abk s LYS 55 CO 0.20 -0.23 0.64 0.50 0.10 0.00 0.00 175.35 176.56 3abk s ARG 56 N -2.16 0.86 -0.04 1.78 3.52 -0.68 -4.96 118.95 117.27 3abk s ARG 56 Ca 0.04 0.60 -0.29 0.00 -0.13 0.00 0.00 55.73 55.95 3abk s ARG 56 Cb -0.01 0.41 -0.03 0.00 -1.56 0.00 0.00 34.95 33.77 3abk s ARG 56 CO -0.04 -0.18 0.96 0.42 -0.81 0.00 0.00 175.30 175.64 3abk s ILE 57 N -0.31 4.86 -0.14 4.11 1.01 -1.26 -0.81 121.20 128.65 3abk s ILE 57 Ca -0.05 1.98 -0.04 0.00 0.00 0.00 0.00 60.65 62.55 3abk s ILE 57 Cb -0.03 -4.29 -0.03 0.00 0.01 0.00 0.00 42.46 38.12 3abk s ILE 57 CO 0.04 0.12 -0.01 -0.69 0.00 0.00 0.00 174.94 174.41 3abk s VAL 58 N 1.28 4.20 -0.14 2.92 1.01 -0.15 -4.95 120.40 124.57 3abk s VAL 58 Ca 0.49 -0.26 -0.04 0.00 0.00 0.00 0.00 61.98 62.17 3abk s VAL 58 Cb -0.20 -2.83 -0.03 0.00 0.00 0.00 0.00 36.38 33.32 3abk s VAL 58 CO 0.24 0.51 -0.00 -0.83 0.00 0.00 0.00 175.10 175.02 3abk s GLY 59 N 0.06 1.80 -0.20 4.51 0.00 -1.26 -1.87 107.32 110.37 3abk s GLY 59 Ca 0.02 -0.79 0.00 0.00 0.00 0.00 0.00 44.72 43.94 3abk s GLY 59 CO 0.02 -0.16 -0.16 0.00 0.00 0.00 0.00 173.10 172.80 3abk s ILE 61 N 1.32 4.64 0.27 0.00 1.01 -1.26 -0.83 121.20 126.34 3abk s ILE 61 Ca 0.04 -1.08 -0.03 0.00 0.00 0.00 0.00 60.65 59.58 3abk s ILE 61 Cb -0.14 -4.68 0.20 0.00 0.01 0.00 0.00 42.46 37.85 3abk s ILE 61 CO -0.10 -1.40 1.87 0.00 0.00 0.00 0.00 174.94 175.31 3abk s GLU 63 N -5.59 0.58 0.06 0.00 2.02 -1.26 -5.06 118.70 109.45 3abk s GLU 63 Ca -0.11 -0.56 -0.38 0.00 0.02 0.00 0.00 54.97 53.94 3abk s GLU 63 Cb 0.16 -0.47 -0.18 0.00 0.10 0.00 0.00 34.13 33.74 3abk s GLU 63 CO 0.81 0.11 1.21 -1.91 0.02 0.00 0.00 175.26 175.50 3abk n GLU 64 N 2.08 0.66 0.00 1.61 2.13 -1.26 -1.78 120.64 124.08 3abk n GLU 64 Ca -0.18 0.24 0.00 0.00 0.66 0.00 0.00 57.16 57.88 3abk n GLU 64 Cb 0.56 -1.81 0.00 0.00 0.27 0.00 0.00 31.44 30.46 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 2.07 0.00 -4.59 4.31 10.43 -1.26 -4.98 116.55 122.53 3abk n ASP 65 Ca 0.19 0.00 -0.50 0.00 2.57 0.00 0.00 54.79 57.05 3abk n ASP 65 Cb 0.15 0.00 -0.05 0.00 1.84 0.00 0.00 41.12 43.06 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 1.67 0.16 -2.24 4.13 -0.73 -4.89 115.26 113.35 3abk n ASN 66 Ca 0.00 1.13 0.12 0.00 1.68 0.00 0.00 54.58 57.50 3abk n ASN 66 Cb 0.00 -1.22 0.08 0.00 -1.54 0.00 0.00 39.78 37.09 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 4.18 0.00 -3.25 6.41 4.64 -1.93 -3.46 113.55 120.14 3abk h SER 67 Ca -0.46 -0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.27 3abk h SER 67 Cb 1.33 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.34 3abk h SER 67 CO 0.75 0.00 0.61 -0.89 -0.87 0.00 0.00 176.83 176.44 3abk s THR 68 N -3.29 4.73 -0.06 2.95 2.01 -1.26 -5.04 115.64 115.68 3abk s THR 68 Ca 0.03 1.67 -0.14 0.00 0.31 0.00 0.00 61.69 63.56 3abk s THR 68 Cb 0.08 -4.22 -0.05 0.00 0.01 0.00 0.00 72.50 68.31 3abk s THR 68 CO 0.74 -0.19 0.37 -0.69 -0.69 0.00 0.00 174.62 174.15 3abk s VAL 69 N 3.09 5.15 -0.24 3.82 1.01 -1.26 -4.64 120.40 127.33 3abk s VAL 69 Ca 0.39 0.73 -0.12 0.00 0.00 0.00 0.00 61.98 62.98 3abk s VAL 69 Cb -0.15 -3.68 -0.05 0.00 0.00 0.00 0.00 36.38 32.51 3abk s VAL 69 CO 0.09 0.51 0.23 -0.63 0.00 0.00 0.00 175.10 175.30 3abk s ILE 70 N -0.55 5.31 -0.01 2.22 -1.09 -0.01 -4.87 121.20 122.19 3abk s ILE 70 Ca 0.22 0.31 0.06 0.00 -2.23 0.00 0.00 60.65 59.01 3abk s ILE 70 Cb -0.15 -3.57 -0.03 0.00 -1.58 0.00 0.00 42.46 37.14 3abk s ILE 70 CO 0.10 0.30 -0.20 0.26 -1.23 0.00 0.00 174.94 174.17 3abk s TRP 71 N 1.30 2.51 0.06 3.97 0.52 -1.26 0.37 118.94 126.41 3abk s TRP 71 Ca 0.10 -0.30 -0.26 0.00 0.02 0.00 0.00 56.10 55.66 3abk s TRP 71 Cb -0.14 -1.53 0.08 0.00 -1.15 0.00 0.00 33.47 30.73 3abk s TRP 71 CO 0.07 0.11 0.72 -0.59 0.02 0.00 0.00 176.95 177.28 3abk s PHE 72 N -0.73 -0.49 0.00 -1.98 -0.12 -0.78 -5.00 117.98 108.89 3abk s PHE 72 Ca 0.12 0.41 -0.26 0.00 -0.05 0.00 0.00 56.93 57.15 3abk s PHE 72 Cb -0.10 0.53 -0.04 0.00 -0.63 0.00 0.00 43.02 42.77 3abk s PHE 72 CO 0.01 -0.70 0.79 -1.58 -0.05 0.00 0.00 175.22 173.69 3abk s TRP 73 N -3.08 3.67 -0.26 3.49 0.52 -1.26 -0.98 118.94 121.04 3abk s TRP 73 Ca 0.01 1.45 -0.11 0.00 0.02 0.00 0.00 56.10 57.47 3abk s TRP 73 Cb -0.01 -2.88 -0.05 0.00 -1.15 0.00 0.00 33.47 29.38 3abk s TRP 73 CO -0.08 0.16 0.20 -1.17 0.02 0.00 0.00 176.95 176.07 3abk s LEU 74 N 0.42 4.07 0.27 2.99 2.96 0.01 -4.93 118.68 124.46 3abk s LEU 74 Ca 0.41 0.08 -0.05 0.00 -0.22 0.00 0.00 54.13 54.36 3abk s LEU 74 Cb -0.20 -2.15 -0.05 0.00 0.50 0.00 0.00 46.19 44.29 3abk s LEU 74 CO 0.23 -0.01 0.52 -1.00 -1.32 0.00 0.00 176.35 174.77 3abk s HIS 75 N 1.43 3.47 0.11 5.38 3.76 -1.26 -1.69 115.29 126.49 3abk s HIS 75 Ca 0.08 0.62 -0.35 0.00 -0.15 0.00 0.00 55.06 55.26 3abk s HIS 75 Cb -0.15 -2.08 -0.17 0.00 1.11 0.00 0.00 32.58 31.29 3abk s HIS 75 CO 0.08 0.22 1.18 1.17 -0.85 0.00 0.00 174.74 176.53 3abk n LYS 76 N -0.78 0.89 0.00 1.40 4.81 0.28 -4.44 118.16 120.32 3abk n LYS 76 Ca -0.02 0.32 0.00 0.00 -0.87 0.00 0.00 58.31 57.74 3abk n LYS 76 Cb 0.54 -1.84 0.00 0.00 0.02 0.00 0.00 35.03 33.74 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 2.11 0.38 3.64 3.14 0.00 -1.26 -5.04 105.19 108.16 3abk n GLY 77 Ca 0.17 -1.77 -0.45 0.00 0.00 0.00 0.00 46.02 43.97 3abk n GLY 77 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3abk n GLU 78 N 0.00 1.76 -1.42 1.61 2.13 -1.26 -4.68 120.64 118.78 3abk n GLU 78 Ca 0.00 0.62 -0.52 0.00 0.66 0.00 0.00 57.16 57.92 3abk n GLU 78 Cb 0.00 -2.18 -0.05 0.00 0.27 0.00 0.00 31.44 29.47 3abk n GLU 78 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3abk n ALA 79 N 1.22 -3.19 -2.55 4.31 0.00 -1.26 -4.91 120.51 114.12 3abk n ALA 79 Ca 0.11 0.50 -0.23 0.00 0.00 0.00 0.00 53.44 53.82 3abk n ALA 79 Cb 0.31 -1.65 -0.06 0.00 0.00 0.00 0.00 19.45 18.05 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 -0.53 2.39 0.04 0.00 -0.21 -0.51 -4.91 119.66 115.94 3abk s GLN 80 Ca 0.75 -1.50 0.09 0.00 0.02 0.00 0.00 55.36 54.72 3abk s GLN 80 Cb -1.07 -2.20 -0.03 0.00 1.00 0.00 0.00 33.01 30.72 3abk s GLN 80 CO 0.55 0.17 -0.25 1.03 -2.12 0.00 0.00 175.29 174.67 3abk s ARG 81 N -3.82 1.74 -0.04 2.91 0.52 -1.26 -0.20 118.95 118.79 3abk s ARG 81 Ca 0.36 -1.06 -0.37 0.00 -0.52 0.00 0.00 55.73 54.15 3abk s ARG 81 Cb -0.03 -1.88 -0.15 0.00 0.52 0.00 0.00 34.95 33.41 3abk s ARG 81 CO 0.22 0.49 1.61 0.00 0.02 0.00 0.00 175.30 177.65 3abk n PRO 83 N 4.36 0.25 -0.13 0.00 -0.04 -1.26 -0.10 135.00 138.08 3abk n PRO 83 Ca 0.21 0.10 -0.26 0.00 -0.04 0.00 0.00 63.50 63.51 3abk n PRO 83 Cb 0.21 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.06 3abk n PRO 83 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3abk n SER 84 N -1.32 1.96 -0.21 3.54 2.88 -1.26 -4.78 113.62 114.43 3abk n SER 84 Ca 0.09 0.22 0.03 0.00 -1.33 0.00 0.00 58.87 57.88 3abk n SER 84 Cb 0.18 -0.73 0.02 0.00 -0.75 0.00 0.00 64.21 62.93 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 0.40 0.80 3.76 0.00 0.00 0.86 -4.93 105.19 106.08 3abk n GLY 86 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 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 -3.06 2.37 0.07 2.61 -4.23 -1.26 -4.38 115.64 107.76 3abk s THR 87 Ca 0.00 0.29 -0.20 0.00 -1.18 0.00 0.00 61.69 60.60 3abk s THR 87 Cb 0.00 -3.15 -0.07 0.00 1.34 0.00 0.00 72.50 70.62 3abk s THR 87 CO 0.00 0.00 0.58 -1.00 -0.54 0.00 0.00 174.62 173.66 3abk s HIS 88 N -1.35 3.80 0.01 3.99 0.09 0.23 -1.05 115.29 121.01 3abk s HIS 88 Ca 0.68 1.28 0.05 0.00 -0.00 0.00 0.00 55.06 57.06 3abk s HIS 88 Cb -0.37 -2.52 -0.02 0.00 -0.00 0.00 0.00 32.58 29.67 3abk s HIS 88 CO 0.45 0.56 -0.14 0.71 -0.00 0.00 0.00 174.74 176.33 3abk s TYR 89 N -1.01 1.23 -0.04 1.40 2.02 0.72 -0.35 117.35 121.31 3abk s TYR 89 Ca 0.29 -0.29 0.01 0.00 -0.37 0.00 0.00 57.07 56.72 3abk s TYR 89 Cb -0.19 -0.76 0.02 0.00 -0.40 0.00 0.00 41.96 40.62 3abk s TYR 89 CO 0.19 0.01 -0.06 0.21 -1.57 0.00 0.00 175.55 174.33 3abk s LYS 90 N -0.70 0.91 0.29 -0.62 2.20 0.42 -1.42 119.74 120.83 3abk s LYS 90 Ca 0.04 -0.17 -0.29 0.00 -0.36 0.00 0.00 55.97 55.18 3abk s LYS 90 Cb -0.06 -0.87 -0.10 0.00 -1.51 0.00 0.00 37.83 35.29 3abk s LYS 90 CO 0.00 -0.03 1.17 -1.17 -0.36 0.00 0.00 175.35 174.96 3abk s LEU 91 N 0.72 4.51 -0.63 5.43 2.96 -1.26 -0.88 118.68 129.52 3abk s LEU 91 Ca -0.10 2.39 0.05 0.00 -0.22 0.00 0.00 54.13 56.24 3abk s LEU 91 Cb -0.13 -3.63 0.17 0.00 0.50 0.00 0.00 46.19 43.09 3abk s LEU 91 CO 0.01 -0.27 0.44 0.68 -1.32 0.00 0.00 176.35 175.89 3abk s VAL 92 N -1.07 2.39 -0.33 1.68 -7.23 -0.50 -4.73 120.40 110.61 3abk s VAL 92 Ca 0.46 -3.88 -0.37 0.00 -1.81 0.00 0.00 61.98 56.38 3abk s VAL 92 Cb -0.34 -2.58 -0.13 0.00 0.56 0.00 0.00 36.38 33.88 3abk s VAL 92 CO 0.44 -1.03 2.06 -2.65 -0.31 0.00 0.00 175.10 173.61 3abk n PRO 93 N 2.25 1.09 0.00 4.82 -0.02 -1.26 -3.32 135.00 138.55 3abk n PRO 93 Ca 0.20 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 3abk n PRO 93 Cb 0.37 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 3abk n PRO 93 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 3abk n HIS 94 N 8.37 0.00 0.00 6.00 -0.00 0.38 -4.90 115.22 125.07 3abk n HIS 94 Ca 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.10 3abk n HIS 94 Cb 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.18 3abk n HIS 94 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 3abk n GLN 95 N 0.57 0.00 0.00 1.57 1.13 -1.26 -4.91 117.38 114.48 3abk n GLN 95 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 3abk n GLN 95 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 3abk n GLN 95 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 3abk n LEU 96 N 0.00 0.00 -4.73 1.08 0.00 -1.26 -4.48 117.00 107.61 3abk n LEU 96 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 56.01 55.63 3abk n LEU 96 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 43.42 43.36 3abk n LEU 96 CO 0.00 0.00 0.16 0.00 0.00 0.00 0.00 177.39 177.55 3abk s ALA 97 N -0.29 3.49 -0.45 1.96 0.00 -1.26 -5.09 121.76 120.12 3abk s ALA 97 Ca 0.00 -0.20 0.04 0.00 0.00 0.00 0.00 51.96 51.80 3abk s ALA 97 Cb 0.00 -2.63 0.03 0.00 0.00 0.00 0.00 23.12 20.52 3abk s ALA 97 CO 0.00 0.03 0.61 0.72 0.00 0.00 0.00 175.76 177.12