#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2npt s ASP 43 N 0.00 4.51 -0.22 0.53 1.01 -1.26 -4.63 116.67 116.61 2npt s ASP 43 Ca 0.00 1.99 -0.11 0.00 0.71 0.00 0.00 52.55 55.14 2npt s ASP 43 Cb 0.00 -2.55 -0.05 0.00 1.01 0.00 0.00 42.92 41.34 2npt s ASP 43 CO 0.00 -2.03 0.20 -0.69 0.21 0.00 0.00 175.17 172.85 2npt s VAL 44 N -2.56 5.35 0.00 -1.27 1.01 0.73 -4.88 120.40 118.78 2npt s VAL 44 Ca 0.65 0.29 -0.25 0.00 0.00 0.00 0.00 61.98 62.67 2npt s VAL 44 Cb -0.20 -3.54 -0.05 0.00 0.00 0.00 0.00 36.38 32.59 2npt s VAL 44 CO 0.50 0.36 0.77 -0.13 0.00 0.00 0.00 175.10 176.59 2npt s ARG 45 N 0.86 4.48 -0.16 2.72 0.52 -1.26 -0.66 118.95 125.46 2npt s ARG 45 Ca 0.10 1.05 0.01 0.00 -0.52 0.00 0.00 55.73 56.36 2npt s ARG 45 Cb -0.13 -3.40 0.00 0.00 0.52 0.00 0.00 34.95 31.94 2npt s ARG 45 CO 0.03 0.18 -0.16 0.08 0.02 0.00 0.00 175.30 175.45 2npt s VAL 46 N 0.33 2.51 -0.42 3.52 1.01 0.46 -0.82 120.40 126.99 2npt s VAL 46 Ca 0.40 -0.82 -0.12 0.00 0.00 0.00 0.00 61.98 61.44 2npt s VAL 46 Cb -0.20 -2.06 0.05 0.00 0.00 0.00 0.00 36.38 34.18 2npt s VAL 46 CO 0.22 0.52 0.29 -0.75 0.00 0.00 0.00 175.10 175.38 2npt s LYS 47 N 0.92 2.83 0.20 2.72 2.20 0.06 -1.41 119.74 127.27 2npt s LYS 47 Ca -0.03 -1.25 -0.12 0.00 -0.36 0.00 0.00 55.97 54.21 2npt s LYS 47 Cb -0.15 -3.90 -0.07 0.00 -1.51 0.00 0.00 37.83 32.20 2npt s LYS 47 CO -0.02 -0.87 0.56 -0.06 -0.36 0.00 0.00 175.35 174.60 2npt s PHE 48 N 1.57 3.49 -0.03 4.03 0.08 0.86 -0.76 117.98 127.21 2npt s PHE 48 Ca 0.03 0.96 0.01 0.00 0.12 0.00 0.00 56.93 58.05 2npt s PHE 48 Cb -0.22 -2.31 0.02 0.00 -0.57 0.00 0.00 43.02 39.94 2npt s PHE 48 CO 0.06 0.32 -0.01 -2.00 -0.10 0.00 0.00 175.22 173.48 2npt s GLU 49 N -2.52 0.42 -0.15 0.44 2.12 -0.05 -1.33 118.70 117.64 2npt s GLU 49 Ca 0.44 0.01 -0.04 0.00 0.36 0.00 0.00 54.97 55.74 2npt s GLU 49 Cb -0.12 -0.53 0.07 0.00 0.26 0.00 0.00 34.13 33.80 2npt s GLU 49 CO 0.20 -0.09 0.22 -1.58 -0.54 0.00 0.00 175.26 173.47 2npt s HIS 50 N 0.84 -0.32 -1.30 5.30 2.46 -0.09 -0.63 115.29 121.54 2npt s HIS 50 Ca -0.09 0.61 -0.06 0.00 0.47 0.00 0.00 55.06 55.99 2npt s HIS 50 Cb -0.12 -0.21 -0.00 0.00 -0.13 0.00 0.00 32.58 32.12 2npt s HIS 50 CO -0.01 -0.43 0.59 0.54 -2.47 0.00 0.00 174.74 172.96 2npt n ARG 51 N 5.33 -2.99 0.00 2.88 1.74 -1.26 -1.36 116.66 121.01 2npt n ARG 51 Ca -0.05 0.46 0.00 0.00 -0.77 0.00 0.00 57.85 57.49 2npt n ARG 51 Cb 0.50 -4.53 0.00 0.00 -1.02 0.00 0.00 32.46 27.40 2npt n ARG 51 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2npt n GLY 52 N -1.81 2.85 3.71 -0.13 0.00 -1.26 -5.00 105.19 103.55 2npt n GLY 52 Ca -0.24 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.39 2npt n GLY 52 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2npt s GLU 53 N -0.12 4.33 0.07 1.61 2.12 -0.46 -5.07 118.70 121.18 2npt s GLU 53 Ca 0.00 0.49 0.08 0.00 0.36 0.00 0.00 54.97 55.90 2npt s GLU 53 Cb 0.00 -3.46 -0.04 0.00 0.26 0.00 0.00 34.13 30.90 2npt s GLU 53 CO 0.00 0.10 -0.19 0.15 -0.54 0.00 0.00 175.26 174.78 2npt s LYS 54 N 0.80 1.90 -0.02 4.30 1.02 -1.26 -0.91 119.74 125.55 2npt s LYS 54 Ca 0.27 -1.09 -0.03 0.00 0.02 0.00 0.00 55.97 55.15 2npt s LYS 54 Cb -0.15 -2.12 0.01 0.00 -0.52 0.00 0.00 37.83 35.04 2npt s LYS 54 CO 0.11 0.51 0.07 1.03 -0.92 0.00 0.00 175.35 176.15 2npt s ARG 55 N -1.72 0.11 -0.12 1.68 1.81 -0.44 -4.99 118.95 115.28 2npt s ARG 55 Ca 0.16 0.05 0.03 0.00 -1.72 0.00 0.00 55.73 54.24 2npt s ARG 55 Cb -0.10 0.05 0.01 0.00 -0.45 0.00 0.00 34.95 34.45 2npt s ARG 55 CO 0.07 -0.02 -0.20 0.42 -0.68 0.00 0.00 175.30 174.89 2npt s ILE 56 N -0.08 1.88 0.09 1.52 1.01 -1.26 -0.10 121.20 124.27 2npt s ILE 56 Ca -0.01 -0.88 0.07 0.00 0.00 0.00 0.00 60.65 59.82 2npt s ILE 56 Cb -0.01 -1.66 -0.03 0.00 0.01 0.00 0.00 42.46 40.76 2npt s ILE 56 CO 0.00 0.52 -0.17 -0.76 0.00 0.00 0.00 174.94 174.52 2npt s LEU 57 N 0.75 2.31 -0.11 2.97 1.43 -0.50 -4.98 118.68 120.55 2npt s LEU 57 Ca -0.10 -0.68 -0.11 0.00 -1.03 0.00 0.00 54.13 52.22 2npt s LEU 57 Cb -0.16 -0.69 -0.05 0.00 0.03 0.00 0.00 46.19 45.33 2npt s LEU 57 CO 0.01 -0.02 0.24 -1.10 0.23 0.00 0.00 176.35 175.70 2npt s GLN 58 N -1.95 3.85 -0.09 1.70 -0.21 -1.26 -0.41 119.66 121.29 2npt s GLN 58 Ca 0.03 0.04 0.02 0.00 0.02 0.00 0.00 55.36 55.48 2npt s GLN 58 Cb -0.09 -3.29 0.01 0.00 1.00 0.00 0.00 33.01 30.64 2npt s GLN 58 CO 0.03 0.56 -0.16 -0.06 -2.12 0.00 0.00 175.29 173.54 2npt s PHE 59 N -0.48 1.93 0.34 0.91 0.08 0.17 -4.94 117.98 115.98 2npt s PHE 59 Ca 0.16 -0.82 -0.26 0.00 0.12 0.00 0.00 56.93 56.13 2npt s PHE 59 Cb -0.13 -1.37 -0.09 0.00 -0.57 0.00 0.00 43.02 40.86 2npt s PHE 59 CO 0.05 -0.40 1.00 -1.25 -0.10 0.00 0.00 175.22 174.53 2npt s PRO 60 N 0.74 4.44 0.31 0.24 0.04 -1.26 -0.20 135.00 139.32 2npt s PRO 60 Ca -0.12 1.46 -0.27 0.00 0.04 0.00 0.00 61.00 62.11 2npt s PRO 60 Cb -0.16 -2.77 -0.09 0.00 0.04 0.00 0.00 34.50 31.52 2npt s PRO 60 CO 0.02 0.12 1.01 1.03 0.04 0.00 0.00 177.00 179.23 2npt s ARG 61 N -2.12 4.56 0.19 4.56 0.52 -1.26 -3.51 118.95 121.89 2npt s ARG 61 Ca 0.52 1.54 -0.30 0.00 -0.52 0.00 0.00 55.73 56.97 2npt s ARG 61 Cb -0.22 -2.95 -0.08 0.00 0.52 0.00 0.00 34.95 32.22 2npt s ARG 61 CO 0.28 0.22 1.13 -2.14 0.02 0.00 0.00 175.30 174.80 2npt s PRO 62 N -1.80 4.56 -0.14 3.54 0.02 -1.26 -4.96 135.00 134.96 2npt s PRO 62 Ca 0.48 1.78 -0.29 0.00 0.02 0.00 0.00 61.00 62.99 2npt s PRO 62 Cb -0.25 -3.26 -0.03 0.00 0.02 0.00 0.00 34.50 30.99 2npt s PRO 62 CO 0.31 0.03 1.40 0.08 -0.33 0.00 0.00 177.00 178.50 2npt s VAL 63 N -0.27 4.04 -0.11 3.83 1.01 -1.23 -5.01 120.40 122.66 2npt s VAL 63 Ca 0.50 1.25 -0.05 0.00 0.00 0.00 0.00 61.98 63.67 2npt s VAL 63 Cb -0.31 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.21 2npt s VAL 63 CO 0.36 -0.13 0.09 -0.54 0.00 0.00 0.00 175.10 174.88 2npt s LYS 64 N 3.74 3.30 0.22 2.72 1.02 -1.26 -4.90 119.74 124.58 2npt s LYS 64 Ca 0.61 -0.23 -0.07 0.00 0.02 0.00 0.00 55.97 56.30 2npt s LYS 64 Cb -0.25 -3.06 0.30 0.00 -0.52 0.00 0.00 37.83 34.31 2npt s LYS 64 CO 0.20 0.74 1.80 1.25 -0.92 0.00 0.00 175.35 178.41 2npt h LEU 65 N 5.10 0.53 -1.83 3.17 5.85 -1.94 0.23 115.31 126.43 2npt h LEU 65 Ca -0.53 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.23 2npt h LEU 65 Cb 1.21 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.19 2npt h LEU 65 CO 0.57 0.32 0.02 1.05 -0.34 0.00 0.00 178.44 180.07 2npt h GLU 66 N 0.67 0.13 -0.21 1.25 9.09 -1.99 -0.99 114.58 122.52 2npt h GLU 66 Ca 0.34 -0.01 -0.13 0.00 0.05 0.00 0.00 59.36 59.61 2npt h GLU 66 Cb 0.29 -0.03 0.00 0.00 -1.65 0.00 0.00 28.75 27.36 2npt h GLU 66 CO -0.23 0.12 -0.37 -0.44 0.05 0.00 0.00 179.01 178.14 2npt h ASP 67 N 0.13 0.69 -0.38 3.06 3.32 -1.38 -1.19 116.42 120.66 2npt h ASP 67 Ca 0.03 -0.54 0.04 0.00 0.02 0.00 0.00 57.03 56.58 2npt h ASP 67 Cb 0.05 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.37 2npt h ASP 67 CO -0.00 1.09 0.16 -0.07 -1.72 0.00 0.00 179.24 178.71 2npt h LEU 68 N 0.30 0.21 -0.31 1.55 3.38 -1.04 -0.96 115.31 118.45 2npt h LEU 68 Ca 0.01 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2npt h LEU 68 Cb 0.97 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 2npt h LEU 68 CO 0.08 0.16 0.20 0.03 0.09 0.00 0.00 178.44 179.01 2npt h ARG 69 N 0.34 0.41 -0.23 1.13 3.08 -1.12 -0.63 114.38 117.36 2npt h ARG 69 Ca 0.17 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.17 2npt h ARG 69 Cb 0.11 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 2npt h ARG 69 CO -0.15 0.27 0.04 0.66 -1.07 0.00 0.00 179.97 179.73 2npt h SER 70 N 0.42 0.36 -0.00 7.04 4.64 -1.08 -2.43 113.55 122.49 2npt h SER 70 Ca 0.11 -0.25 -0.11 0.00 -0.47 0.00 0.00 61.79 61.08 2npt h SER 70 Cb -0.05 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 61.94 2npt h SER 70 CO -0.02 0.52 -0.31 0.11 -0.87 0.00 0.00 176.83 176.25 2npt h LYS 71 N 0.18 0.46 -0.82 4.77 1.79 -1.17 -1.81 116.57 119.97 2npt h LYS 71 Ca 0.07 -0.19 0.01 0.00 -2.18 0.00 0.00 60.65 58.36 2npt h LYS 71 Cb 0.31 -0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 30.90 2npt h LYS 71 CO 0.00 0.72 0.54 0.00 -1.08 0.00 0.00 179.45 179.64 2npt h ALA 72 N 1.27 1.04 -0.21 3.86 0.00 -1.06 -0.21 119.26 123.96 2npt h ALA 72 Ca 0.05 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2npt h ALA 72 Cb 0.74 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2npt h ALA 72 CO 0.06 0.43 0.09 -0.22 0.00 0.00 0.00 179.25 179.61 2npt h LYS 73 N 1.10 0.31 -0.40 0.00 3.64 -0.92 -1.76 116.57 118.54 2npt h LYS 73 Ca 0.30 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.57 2npt h LYS 73 Cb -0.11 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.64 2npt h LYS 73 CO -0.07 0.36 0.03 0.82 -2.27 0.00 0.00 179.45 178.32 2npt h ILE 74 N 0.20 1.25 -0.65 2.00 2.04 -1.26 0.26 117.51 121.35 2npt h ILE 74 Ca 0.07 -0.94 0.02 0.00 1.00 0.00 0.00 64.86 65.01 2npt h ILE 74 Cb 0.16 1.08 -0.04 0.00 -0.74 0.00 0.00 36.82 37.29 2npt h ILE 74 CO -0.01 0.32 0.42 0.00 0.00 0.00 0.00 178.15 178.88 2npt h ALA 75 N 0.90 0.84 -0.27 1.87 0.00 -0.86 -3.11 119.26 118.64 2npt h ALA 75 Ca 0.12 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2npt h ALA 75 Cb 0.42 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2npt h ALA 75 CO 0.01 0.21 0.00 1.19 0.00 0.00 0.00 179.25 180.66 2npt n PHE 76 N -4.66 0.35 -1.18 0.00 3.72 -0.68 -5.00 117.46 110.01 2npt n PHE 76 Ca 0.06 -0.27 -0.06 0.00 -0.05 0.00 0.00 57.45 57.13 2npt n PHE 76 Cb 0.05 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 38.56 2npt n PHE 76 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2npt n GLY 77 N 0.91 0.84 3.57 1.37 0.00 0.85 -4.98 105.19 107.76 2npt n GLY 77 Ca 0.13 -0.73 -0.06 0.00 0.00 0.00 0.00 46.02 45.36 2npt n GLY 77 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2npt s GLN 78 N -2.44 0.45 0.16 1.61 -2.07 -0.73 -5.01 119.66 111.64 2npt s GLN 78 Ca 0.00 -0.12 -0.34 0.00 -1.82 0.00 0.00 55.36 53.08 2npt s GLN 78 Cb 0.00 0.21 -0.14 0.00 -1.09 0.00 0.00 33.01 31.99 2npt s GLN 78 CO 0.00 -0.19 1.52 0.45 -1.32 0.00 0.00 175.29 175.75 2npt n SER 79 N 0.00 2.84 -4.15 12.60 2.88 -1.26 -4.27 113.62 122.26 2npt n SER 79 Ca -0.03 1.10 -0.23 0.00 -1.33 0.00 0.00 58.87 58.37 2npt n SER 79 Cb 0.59 -1.39 -0.15 0.00 -0.75 0.00 0.00 64.21 62.51 2npt n SER 79 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 2npt s MET 80 N 0.68 1.26 0.16 -1.46 1.00 -1.26 -2.39 119.30 117.29 2npt s MET 80 Ca 0.78 -0.62 -0.22 0.00 0.00 0.00 0.00 55.69 55.64 2npt s MET 80 Cb -0.71 -1.24 -0.08 0.00 0.00 0.00 0.00 34.83 32.80 2npt s MET 80 CO 0.41 0.33 0.70 -0.51 0.00 0.00 0.00 175.02 175.95 2npt s ASP 81 N -0.52 7.18 -0.18 3.03 1.01 0.13 -4.86 116.67 122.46 2npt s ASP 81 Ca 0.06 1.46 -0.09 0.00 0.71 0.00 0.00 52.55 54.69 2npt s ASP 81 Cb -0.07 -2.43 -0.05 0.00 1.01 0.00 0.00 42.92 41.39 2npt s ASP 81 CO -0.00 0.17 0.12 -0.76 0.21 0.00 0.00 175.17 174.90 2npt s LEU 82 N -1.42 4.16 -0.10 1.23 1.02 -1.26 -1.40 118.68 120.91 2npt s LEU 82 Ca 0.36 0.25 0.02 0.00 0.02 0.00 0.00 54.13 54.79 2npt s LEU 82 Cb -0.20 -2.06 0.01 0.00 0.02 0.00 0.00 46.19 43.97 2npt s LEU 82 CO 0.22 0.24 -0.14 -1.00 0.02 0.00 0.00 176.35 175.69 2npt s HIS 83 N 0.02 1.82 0.08 0.29 3.76 0.74 -0.75 115.29 121.24 2npt s HIS 83 Ca 0.09 -0.81 -0.26 0.00 -0.15 0.00 0.00 55.06 53.94 2npt s HIS 83 Cb -0.11 -1.32 -0.06 0.00 1.11 0.00 0.00 32.58 32.19 2npt s HIS 83 CO -0.00 -0.42 0.79 -0.47 -0.85 0.00 0.00 174.74 173.79 2npt s TYR 84 N 0.90 3.78 -0.02 1.40 5.04 0.81 0.13 117.35 129.39 2npt s TYR 84 Ca -0.09 1.54 0.06 0.00 -2.44 0.00 0.00 57.07 56.15 2npt s TYR 84 Cb -0.15 -2.84 -0.01 0.00 0.35 0.00 0.00 41.96 39.31 2npt s TYR 84 CO 0.00 0.31 -0.20 0.95 -1.34 0.00 0.00 175.55 175.28 2npt s THR 85 N -0.27 1.59 -0.20 4.34 -4.23 -0.72 -1.01 115.64 115.14 2npt s THR 85 Ca 0.39 -0.86 -0.04 0.00 -1.18 0.00 0.00 61.69 60.00 2npt s THR 85 Cb -0.21 -1.33 0.10 0.00 1.34 0.00 0.00 72.50 72.39 2npt s THR 85 CO 0.24 0.45 0.26 0.21 -0.54 0.00 0.00 174.62 175.24 2npt s ASN 86 N -0.43 0.97 0.68 3.99 2.47 -0.24 -4.41 114.94 117.97 2npt s ASN 86 Ca 0.07 0.02 0.00 0.00 0.42 0.00 0.00 52.86 53.36 2npt s ASN 86 Cb -0.08 0.58 0.00 0.00 -1.45 0.00 0.00 41.25 40.29 2npt s ASN 86 CO -0.00 -0.30 0.00 -3.20 -3.72 0.00 0.00 177.10 169.87 2npt n ASN 87 N 5.33 0.00 -0.18 -4.21 5.15 -1.26 -1.16 115.26 118.94 2npt n ASN 87 Ca -0.05 0.00 0.12 0.00 -0.60 0.00 0.00 54.58 54.05 2npt n ASN 87 Cb 0.50 0.00 0.18 0.00 -0.53 0.00 0.00 39.78 39.93 2npt n ASN 87 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2npt n GLU 88 N 0.00 0.53 -3.35 1.20 1.02 -1.26 -4.92 120.64 113.86 2npt n GLU 88 Ca 0.00 -0.37 -0.38 0.00 -0.02 0.00 0.00 57.16 56.39 2npt n GLU 88 Cb 0.00 -1.49 -0.06 0.00 -0.02 0.00 0.00 31.44 29.87 2npt n GLU 88 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2npt s LEU 89 N -2.72 4.44 -0.04 -4.62 0.20 -0.30 -5.08 118.68 110.55 2npt s LEU 89 Ca 0.17 1.05 0.02 0.00 0.69 0.00 0.00 54.13 56.05 2npt s LEU 89 Cb 0.18 -2.75 0.01 0.00 -0.43 0.00 0.00 46.19 43.20 2npt s LEU 89 CO 0.64 0.21 -0.07 -0.69 -0.29 0.00 0.00 176.35 176.16 2npt s VAL 90 N -0.62 0.69 0.01 1.68 1.01 -1.26 -1.08 120.40 120.83 2npt s VAL 90 Ca 0.27 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 61.99 2npt s VAL 90 Cb -0.17 -0.66 -0.01 0.00 0.00 0.00 0.00 36.38 35.54 2npt s VAL 90 CO 0.15 0.24 -0.02 -0.51 0.00 0.00 0.00 175.10 174.97 2npt s ILE 91 N 0.58 0.09 0.26 2.22 2.07 -0.18 -4.99 121.20 121.25 2npt s ILE 91 Ca -0.09 -0.26 -0.30 0.00 -1.41 0.00 0.00 60.65 58.59 2npt s ILE 91 Cb -0.12 -0.13 -0.11 0.00 0.13 0.00 0.00 42.46 42.24 2npt s ILE 91 CO 0.01 -0.11 1.54 -2.84 -1.91 0.00 0.00 174.94 171.63 2npt s PRO 92 N -0.38 4.19 -0.70 3.50 0.02 -1.26 -0.13 135.00 140.22 2npt s PRO 92 Ca -0.04 2.45 -0.18 0.00 0.02 0.00 0.00 61.00 63.26 2npt s PRO 92 Cb -0.03 -3.07 0.14 0.00 0.02 0.00 0.00 34.50 31.56 2npt s PRO 92 CO -0.00 -0.55 0.78 -1.17 -0.33 0.00 0.00 177.00 175.73 2npt s LEU 93 N -0.21 5.69 -0.01 -5.54 2.96 0.07 -4.78 118.68 116.86 2npt s LEU 93 Ca 0.63 -1.86 0.08 0.00 -0.22 0.00 0.00 54.13 52.77 2npt s LEU 93 Cb -0.45 -2.29 -0.12 0.00 0.50 0.00 0.00 46.19 43.83 2npt s LEU 93 CO 0.44 -0.97 0.23 0.35 -1.32 0.00 0.00 176.35 175.08 2npt n THR 94 N 5.16 0.00 -4.17 3.68 -2.24 -1.26 -4.71 114.28 110.74 2npt n THR 94 Ca 0.02 -0.22 -0.16 0.00 -2.27 0.00 0.00 64.05 61.41 2npt n THR 94 Cb 0.44 0.49 -0.11 0.00 -2.10 0.00 0.00 70.33 69.05 2npt n THR 94 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2npt s THR 95 N -2.37 0.98 0.40 4.28 -4.23 -1.26 -5.02 115.64 108.42 2npt s THR 95 Ca -0.01 -1.47 0.06 0.00 -1.18 0.00 0.00 61.69 59.09 2npt s THR 95 Cb 0.06 -1.18 0.25 0.00 1.34 0.00 0.00 72.50 72.97 2npt s THR 95 CO 0.35 -0.41 2.03 -0.61 -0.54 0.00 0.00 174.62 175.44 2npt h GLN 96 N 3.92 0.57 -0.41 3.99 5.75 -1.99 -2.67 115.11 124.27 2npt h GLN 96 Ca -0.38 -0.04 0.07 0.00 -0.15 0.00 0.00 58.65 58.15 2npt h GLN 96 Cb 1.19 -0.13 -0.07 0.00 1.07 0.00 0.00 27.48 29.55 2npt h GLN 96 CO 0.47 0.40 0.00 0.22 -2.65 0.00 0.00 178.83 177.27 2npt h ASP 97 N 0.59 -0.16 -0.43 -0.69 -0.00 -1.99 0.35 116.42 114.08 2npt h ASP 97 Ca 0.16 0.09 -0.15 0.00 -0.00 0.00 0.00 57.03 57.13 2npt h ASP 97 Cb -0.03 0.17 -0.01 0.00 -0.00 0.00 0.00 39.33 39.46 2npt h ASP 97 CO -0.03 -0.04 -0.30 0.44 -0.00 0.00 0.00 179.24 179.31 2npt h ASP 98 N 0.11 1.01 -0.53 2.28 3.32 -1.93 -2.01 116.42 118.67 2npt h ASP 98 Ca 0.20 -0.43 0.02 0.00 0.02 0.00 0.00 57.03 56.84 2npt h ASP 98 Cb 0.29 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 2npt h ASP 98 CO -0.33 1.23 0.33 0.25 -1.72 0.00 0.00 179.24 178.99 2npt h LEU 99 N 0.81 0.54 -0.93 1.55 5.85 -1.14 -0.77 115.31 121.22 2npt h LEU 99 Ca 0.09 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.82 2npt h LEU 99 Cb 0.89 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.75 2npt h LEU 99 CO 0.08 0.38 0.62 0.44 -0.34 0.00 0.00 178.44 179.62 2npt h ASP 100 N 0.65 1.06 -0.73 1.25 3.32 -0.69 -0.06 116.42 121.22 2npt h ASP 100 Ca 0.21 -0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.19 2npt h ASP 100 Cb 0.00 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.26 2npt h ASP 100 CO -0.09 0.76 0.27 0.11 -1.72 0.00 0.00 179.24 178.57 2npt h LYS 101 N 1.25 1.11 -0.49 3.56 1.57 -0.92 -0.84 116.57 121.80 2npt h LYS 101 Ca 0.35 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 2npt h LYS 101 Cb -0.11 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.00 2npt h LYS 101 CO -0.09 0.92 0.28 0.00 -0.57 0.00 0.00 179.45 180.00 2npt h ALA 102 N 1.13 0.63 -0.56 3.86 0.00 -0.58 -1.13 119.26 122.62 2npt h ALA 102 Ca 0.24 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 2npt h ALA 102 Cb 0.25 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2npt h ALA 102 CO -0.02 0.14 0.08 0.28 0.00 0.00 0.00 179.25 179.73 2npt h VAL 103 N 0.66 1.26 -0.78 0.00 2.07 -0.82 -2.32 116.25 116.32 2npt h VAL 103 Ca 0.17 -0.99 0.07 0.00 0.82 0.00 0.00 66.70 66.77 2npt h VAL 103 Cb 0.03 0.82 -0.06 0.00 -1.52 0.00 0.00 31.29 30.56 2npt h VAL 103 CO -0.03 0.36 0.46 -0.08 0.02 0.00 0.00 177.57 178.30 2npt h GLU 104 N 0.82 0.80 -0.65 1.57 4.81 -0.92 -1.00 114.58 120.02 2npt h GLU 104 Ca 0.17 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.28 2npt h GLU 104 Cb 0.43 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.61 2npt h GLU 104 CO 0.01 0.53 0.13 1.25 -0.73 0.00 0.00 179.01 180.20 2npt h LEU 105 N 0.83 1.01 -0.87 1.64 5.85 -1.02 -2.61 115.31 120.13 2npt h LEU 105 Ca 0.35 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 2npt h LEU 105 Cb 0.21 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.93 2npt h LEU 105 CO -0.19 1.00 0.52 0.25 -0.34 0.00 0.00 178.44 179.68 2npt h LEU 106 N 0.97 1.05 -1.25 2.25 5.85 -0.84 -2.49 115.31 120.85 2npt h LEU 106 Ca 0.20 -0.07 -0.07 0.00 0.84 0.00 0.00 57.88 58.78 2npt h LEU 106 Cb 0.41 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 2npt h LEU 106 CO 0.01 0.82 -0.21 0.44 -0.34 0.00 0.00 178.44 179.15 2npt h ASP 107 N 1.20 0.24 0.82 1.25 3.32 -0.88 -1.42 116.42 120.96 2npt h ASP 107 Ca 0.31 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.30 2npt h ASP 107 Cb -0.04 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.45 2npt h ASP 107 CO -0.06 0.47 0.00 0.03 -1.72 0.00 0.00 179.24 177.96 2npt h ARG 108 N 0.23 0.00 -6.30 3.56 3.08 -1.09 -3.47 114.38 110.38 2npt h ARG 108 Ca 0.04 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.54 2npt h ARG 108 Cb 0.51 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.53 2npt h ARG 108 CO 0.03 0.00 -0.24 -1.12 -1.07 0.00 0.00 179.97 177.58 2npt s SER 109 N -4.58 6.49 -0.13 7.04 0.01 -0.54 -5.00 113.70 117.00 2npt s SER 109 Ca 0.04 0.65 0.13 0.00 1.31 0.00 0.00 55.95 58.07 2npt s SER 109 Cb 0.09 -2.11 -0.18 0.00 0.21 0.00 0.00 66.02 64.03 2npt s SER 109 CO 0.43 -0.04 0.08 -0.38 0.41 0.00 0.00 173.24 173.74 2npt n ILE 110 N -0.31 0.86 1.05 1.44 5.41 -1.26 -4.75 119.36 121.81 2npt n ILE 110 Ca -0.02 -0.57 0.12 0.00 1.00 0.00 0.00 62.75 63.28 2npt n ILE 110 Cb 0.53 -0.55 0.30 0.00 -0.71 0.00 0.00 39.64 39.21 2npt n ILE 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2npt n HIS 111 N -2.47 0.00 -3.98 1.39 1.44 -1.26 -4.87 115.22 105.47 2npt n HIS 111 Ca -0.21 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.41 2npt n HIS 111 Cb 0.90 -0.25 -0.11 0.00 0.12 0.00 0.00 29.99 30.65 2npt n HIS 111 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2npt s MET 112 N -2.91 0.32 -0.00 -1.40 0.23 -1.26 -5.06 119.30 109.22 2npt s MET 112 Ca 0.14 -0.61 0.00 0.00 -1.03 0.00 0.00 55.69 54.18 2npt s MET 112 Cb 0.18 0.09 0.00 0.00 -1.53 0.00 0.00 34.83 33.57 2npt s MET 112 CO 0.66 -0.04 0.68 1.63 -2.03 0.00 0.00 175.02 175.91 2npt n LYS 113 N 1.61 1.08 -3.90 3.16 5.02 -1.26 -4.82 118.16 119.04 2npt n LYS 113 Ca -0.24 -0.86 -0.10 0.00 -2.02 0.00 0.00 58.31 55.09 2npt n LYS 113 Cb 0.55 -0.68 -0.10 0.00 -0.02 0.00 0.00 35.03 34.78 2npt n LYS 113 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2npt s SER 114 N -0.36 0.11 -0.23 4.39 1.04 -1.26 -4.55 113.70 112.83 2npt s SER 114 Ca 0.00 -0.38 -0.24 0.00 0.48 0.00 0.00 55.95 55.82 2npt s SER 114 Cb 0.00 0.21 -0.01 0.00 0.10 0.00 0.00 66.02 66.32 2npt s SER 114 CO 0.00 -0.43 0.78 -0.22 0.98 0.00 0.00 173.24 174.35 2npt s LEU 115 N -1.74 4.09 -0.29 2.42 2.96 -0.00 -4.88 118.68 121.24 2npt s LEU 115 Ca -0.10 0.98 -0.18 0.00 -0.22 0.00 0.00 54.13 54.61 2npt s LEU 115 Cb -0.05 -3.12 -0.02 0.00 0.50 0.00 0.00 46.19 43.50 2npt s LEU 115 CO -0.01 -0.47 0.49 -0.54 -1.32 0.00 0.00 176.35 174.50 2npt s LYS 116 N 2.67 3.91 -0.16 1.98 -0.14 -1.26 -0.76 119.74 125.97 2npt s LYS 116 Ca 0.33 0.11 0.00 0.00 -1.36 0.00 0.00 55.97 55.06 2npt s LYS 116 Cb -0.15 -3.71 0.03 0.00 -1.68 0.00 0.00 37.83 32.31 2npt s LYS 116 CO 0.08 -0.44 -0.13 0.42 -0.76 0.00 0.00 175.35 174.51 2npt s ILE 117 N 2.31 1.58 -0.01 2.17 -1.09 0.06 -1.76 121.20 124.45 2npt s ILE 117 Ca 0.19 -0.70 -0.16 0.00 -2.23 0.00 0.00 60.65 57.75 2npt s ILE 117 Cb -0.16 -1.52 -0.06 0.00 -1.58 0.00 0.00 42.46 39.15 2npt s ILE 117 CO 0.11 0.40 0.45 -0.22 -1.23 0.00 0.00 174.94 174.45 2npt s LEU 118 N 1.47 4.45 -0.01 2.97 2.96 0.12 -0.87 118.68 129.77 2npt s LEU 118 Ca 0.04 0.98 0.07 0.00 -0.22 0.00 0.00 54.13 55.00 2npt s LEU 118 Cb -0.13 -2.66 -0.02 0.00 0.50 0.00 0.00 46.19 43.88 2npt s LEU 118 CO -0.10 0.26 -0.21 -0.76 -1.32 0.00 0.00 176.35 174.21 2npt s LEU 119 N -0.77 2.36 -0.04 -0.68 1.43 0.19 -0.19 118.68 120.99 2npt s LEU 119 Ca 0.25 -0.40 0.02 0.00 -1.03 0.00 0.00 54.13 52.97 2npt s LEU 119 Cb -0.17 -1.43 0.01 0.00 0.03 0.00 0.00 46.19 44.63 2npt s LEU 119 CO 0.14 0.31 -0.08 -0.69 0.23 0.00 0.00 176.35 176.26 2npt s VAL 120 N -0.73 0.73 0.37 -1.59 1.01 -0.49 -4.64 120.40 115.05 2npt s VAL 120 Ca 0.11 -0.29 -0.27 0.00 0.00 0.00 0.00 61.98 61.54 2npt s VAL 120 Cb -0.10 -0.68 -0.12 0.00 0.00 0.00 0.00 36.38 35.48 2npt s VAL 120 CO 0.01 0.25 1.26 -0.38 0.00 0.00 0.00 175.10 176.24 2npt n ILE 121 N 3.60 2.18 -0.88 2.22 5.41 -1.26 0.17 119.36 130.79 2npt n ILE 121 Ca -0.21 -0.50 0.04 0.00 1.00 0.00 0.00 62.75 63.08 2npt n ILE 121 Cb 0.53 -1.53 0.06 0.00 -0.71 0.00 0.00 39.64 37.98 2npt n ILE 121 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 2npt n ASN 122 N 0.61 1.57 -0.92 4.38 6.94 -1.01 -4.69 115.26 122.14 2npt n ASN 122 Ca 0.06 -2.32 0.12 0.00 -0.02 0.00 0.00 54.58 52.42 2npt n ASN 122 Cb 0.37 -0.21 0.14 0.00 -2.36 0.00 0.00 39.78 37.72 2npt n ASN 122 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84