#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bww s PRO 2 N 0.00 3.37 0.76 -2.82 0.02 -1.26 -4.99 135.00 130.08 1bww s PRO 2 Ca 0.00 1.74 -0.11 0.00 0.02 0.00 0.00 61.00 62.65 1bww s PRO 2 Cb 0.00 -2.11 0.05 0.00 0.02 0.00 0.00 34.50 32.46 1bww s PRO 2 CO 0.00 -0.86 1.09 -0.51 -0.33 0.00 0.00 177.00 176.39 1bww s ASP 3 N -1.57 4.59 -0.23 2.53 1.01 -1.26 -4.99 116.67 116.74 1bww s ASP 3 Ca 0.71 1.84 -0.23 0.00 0.71 0.00 0.00 52.55 55.59 1bww s ASP 3 Cb -0.27 -2.52 -0.01 0.00 1.01 0.00 0.00 42.92 41.12 1bww s ASP 3 CO 0.31 -1.98 0.73 -0.63 0.21 0.00 0.00 175.17 173.81 1bww s ILE 4 N -2.84 4.92 -0.16 0.77 1.01 -1.26 -5.03 121.20 118.62 1bww s ILE 4 Ca 0.62 1.36 -0.19 0.00 0.00 0.00 0.00 60.65 62.45 1bww s ILE 4 Cb -0.17 -4.03 -0.04 0.00 0.01 0.00 0.00 42.46 38.23 1bww s ILE 4 CO 0.54 0.00 0.51 -1.58 0.00 0.00 0.00 174.94 174.42 1bww s GLN 5 N 2.48 4.26 -0.20 2.79 0.74 -1.26 -4.74 119.66 123.73 1bww s GLN 5 Ca 0.31 0.45 -0.07 0.00 0.05 0.00 0.00 55.36 56.11 1bww s GLN 5 Cb -0.16 -3.50 -0.03 0.00 1.10 0.00 0.00 33.01 30.42 1bww s GLN 5 CO 0.09 -0.01 0.04 -1.64 -0.55 0.00 0.00 175.29 173.22 1bww s MET 6 N 1.18 3.77 -0.27 1.67 -1.94 -1.26 -1.64 119.30 120.81 1bww s MET 6 Ca 0.25 -0.44 -0.05 0.00 -1.71 0.00 0.00 55.69 53.75 1bww s MET 6 Cb -0.15 -3.20 0.01 0.00 2.01 0.00 0.00 34.83 33.50 1bww s MET 6 CO 0.10 0.07 0.02 0.99 -0.01 0.00 0.00 175.02 176.19 1bww s THR 7 N 0.90 3.53 -0.11 2.05 2.01 0.13 -4.38 115.64 119.78 1bww s THR 7 Ca 0.03 -0.78 -0.03 0.00 0.31 0.00 0.00 61.69 61.22 1bww s THR 7 Cb -0.14 -2.79 -0.03 0.00 0.01 0.00 0.00 72.50 69.54 1bww s THR 7 CO 0.02 0.16 0.01 -1.58 -0.69 0.00 0.00 174.62 172.54 1bww s GLN 8 N 1.44 3.25 -0.08 4.92 0.74 -1.26 -0.62 119.66 128.04 1bww s GLN 8 Ca 0.02 -0.40 -0.07 0.00 0.05 0.00 0.00 55.36 54.96 1bww s GLN 8 Cb -0.17 -2.89 0.02 0.00 1.10 0.00 0.00 33.01 31.07 1bww s GLN 8 CO -0.00 0.58 0.21 0.45 -0.55 0.00 0.00 175.29 175.98 1bww s SER 9 N -0.54 -0.22 0.82 6.67 0.15 -0.57 -4.49 113.70 115.52 1bww s SER 9 Ca 0.09 0.42 -0.12 0.00 0.70 0.00 0.00 55.95 57.05 1bww s SER 9 Cb -0.12 0.43 0.11 0.00 -1.71 0.00 0.00 66.02 64.73 1bww s SER 9 CO 0.02 -0.08 1.18 -2.16 1.20 0.00 0.00 173.24 173.40 1bww s PRO 10 N 0.08 1.66 0.27 5.44 0.04 -1.26 -1.31 135.00 139.92 1bww s PRO 10 Ca -0.00 -0.14 0.22 0.00 0.04 0.00 0.00 61.00 61.11 1bww s PRO 10 Cb -0.02 -1.98 0.10 0.00 0.04 0.00 0.00 34.50 32.64 1bww s PRO 10 CO 0.00 -1.73 1.23 0.66 0.04 0.00 0.00 177.00 177.21 1bww h SER 11 N -1.10 0.00 -4.83 6.66 4.64 -1.80 -3.40 113.55 113.72 1bww h SER 11 Ca -0.45 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.77 1bww h SER 11 Cb 1.30 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 63.19 1bww h SER 11 CO 0.57 0.08 -0.15 -0.94 -0.87 0.00 0.00 176.83 175.52 1bww s SER 12 N -5.73 -0.35 -0.12 4.97 1.04 -1.26 -1.95 113.70 110.30 1bww s SER 12 Ca 0.02 0.36 -0.11 0.00 0.48 0.00 0.00 55.95 56.70 1bww s SER 12 Cb 0.08 0.46 0.03 0.00 0.10 0.00 0.00 66.02 66.69 1bww s SER 12 CO 0.75 -0.44 0.32 -0.22 0.98 0.00 0.00 173.24 174.62 1bww s LEU 13 N -1.07 0.79 -0.05 2.42 2.96 -0.44 -4.95 118.68 118.36 1bww s LEU 13 Ca -0.11 0.63 0.05 0.00 -0.22 0.00 0.00 54.13 54.48 1bww s LEU 13 Cb -0.04 1.09 -0.01 0.00 0.50 0.00 0.00 46.19 47.74 1bww s LEU 13 CO 0.05 -0.12 -0.20 -0.55 -1.32 0.00 0.00 176.35 174.22 1bww s SER 14 N 0.13 2.46 0.24 3.68 0.15 -1.26 -1.34 113.70 117.76 1bww s SER 14 Ca -0.00 -0.40 -0.04 0.00 0.70 0.00 0.00 55.95 56.21 1bww s SER 14 Cb -0.02 -0.66 -0.02 0.00 -1.71 0.00 0.00 66.02 63.61 1bww s SER 14 CO 0.01 0.19 0.28 0.00 1.20 0.00 0.00 173.24 174.91 1bww s ALA 15 N -0.06 0.79 0.39 5.45 0.00 -0.75 -4.82 121.76 122.76 1bww s ALA 15 Ca -0.03 -1.48 -0.05 0.00 0.00 0.00 0.00 51.96 50.39 1bww s ALA 15 Cb -0.12 1.28 -0.05 0.00 0.00 0.00 0.00 23.12 24.24 1bww s ALA 15 CO 0.02 -0.69 0.67 -1.12 0.00 0.00 0.00 175.76 174.64 1bww s SER 16 N -3.15 6.38 0.26 0.00 0.01 -1.26 -1.24 113.70 114.70 1bww s SER 16 Ca 0.34 0.83 -0.31 0.00 1.31 0.00 0.00 55.95 58.12 1bww s SER 16 Cb 0.04 -2.20 -0.13 0.00 0.21 0.00 0.00 66.02 63.94 1bww s SER 16 CO 0.14 -0.38 1.47 0.52 0.41 0.00 0.00 173.24 175.40 1bww n VAL 17 N -1.58 0.96 0.00 3.43 0.31 -1.26 -1.90 118.33 118.28 1bww n VAL 17 Ca -0.01 -0.24 0.00 0.00 -0.01 0.00 0.00 64.34 64.09 1bww n VAL 17 Cb 0.55 -1.63 0.00 0.00 -0.91 0.00 0.00 33.84 31.85 1bww n VAL 17 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1bww n GLY 18 N 2.19 2.35 3.78 2.92 0.00 0.70 -4.91 105.19 112.22 1bww n GLY 18 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 1bww n GLY 18 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1bww s ASP 19 N -1.91 4.72 -0.01 1.61 1.01 -0.80 -4.31 116.67 116.99 1bww s ASP 19 Ca 0.00 1.81 -0.21 0.00 0.71 0.00 0.00 52.55 54.85 1bww s ASP 19 Cb 0.00 -2.52 -0.05 0.00 1.01 0.00 0.00 42.92 41.36 1bww s ASP 19 CO 0.00 -1.89 0.62 -0.60 0.21 0.00 0.00 175.17 173.51 1bww s ARG 20 N -4.84 4.34 -0.02 8.23 3.52 -1.25 -0.33 118.95 128.61 1bww s ARG 20 Ca 0.61 0.77 0.04 0.00 -0.13 0.00 0.00 55.73 57.03 1bww s ARG 20 Cb -0.17 -3.35 -0.01 0.00 -1.56 0.00 0.00 34.95 29.86 1bww s ARG 20 CO 0.54 0.34 -0.14 0.08 -0.81 0.00 0.00 175.30 175.31 1bww s VAL 21 N -0.10 1.13 -0.00 7.11 1.01 -0.52 -5.00 120.40 124.03 1bww s VAL 21 Ca 0.32 -0.60 0.05 0.00 0.00 0.00 0.00 61.98 61.75 1bww s VAL 21 Cb -0.18 -0.95 -0.01 0.00 0.00 0.00 0.00 36.38 35.24 1bww s VAL 21 CO 0.18 0.32 -0.16 0.42 0.00 0.00 0.00 175.10 175.86 1bww s THR 22 N -0.23 1.23 -0.05 3.92 -4.23 -1.26 -0.95 115.64 114.07 1bww s THR 22 Ca 0.03 -0.74 0.05 0.00 -1.18 0.00 0.00 61.69 59.86 1bww s THR 22 Cb -0.07 -1.04 -0.01 0.00 1.34 0.00 0.00 72.50 72.73 1bww s THR 22 CO -0.00 0.29 -0.21 -0.63 -0.54 0.00 0.00 174.62 173.52 1bww s ILE 23 N -0.46 1.77 0.16 2.99 1.01 0.16 -4.75 121.20 122.08 1bww s ILE 23 Ca 0.05 -0.91 0.08 0.00 0.00 0.00 0.00 60.65 59.87 1bww s ILE 23 Cb -0.06 -1.50 -0.04 0.00 0.01 0.00 0.00 42.46 40.87 1bww s ILE 23 CO -0.00 0.50 -0.06 0.42 0.00 0.00 0.00 174.94 175.80 1bww s THR 24 N -0.10 3.46 -0.02 2.92 -4.23 -0.43 -0.77 115.64 116.48 1bww s THR 24 Ca -0.03 -1.47 0.02 0.00 -1.18 0.00 0.00 61.69 59.03 1bww s THR 24 Cb -0.12 -2.71 0.00 0.00 1.34 0.00 0.00 72.50 71.01 1bww s THR 24 CO 0.03 -0.06 -0.07 0.00 -0.54 0.00 0.00 174.62 173.98 1bww s GLN 26 N 0.20 2.08 0.07 0.00 0.74 0.21 -2.29 119.66 120.66 1bww s GLN 26 Ca -0.03 -0.62 -0.08 0.00 0.05 0.00 0.00 55.36 54.68 1bww s GLN 26 Cb -0.07 -1.70 -0.05 0.00 1.10 0.00 0.00 33.01 32.28 1bww s GLN 26 CO 0.00 0.17 0.35 0.00 -0.55 0.00 0.00 175.29 175.26 1bww s ALA 27 N 0.29 3.78 -0.96 1.58 0.00 -0.36 -0.69 121.76 125.39 1bww s ALA 27 Ca -0.11 -0.47 0.20 0.00 0.00 0.00 0.00 51.96 51.58 1bww s ALA 27 Cb -0.14 -2.18 0.84 0.00 0.00 0.00 0.00 23.12 21.63 1bww s ALA 27 CO 0.04 0.61 1.63 -1.13 0.00 0.00 0.00 175.76 176.91 1bww n SER 28 N 0.83 0.06 -3.95 0.00 3.41 -0.65 -4.71 113.62 108.61 1bww n SER 28 Ca -0.08 0.51 -0.09 0.00 -0.26 0.00 0.00 58.87 58.95 1bww n SER 28 Cb 0.52 -0.53 -0.09 0.00 -0.26 0.00 0.00 64.21 63.85 1bww n SER 28 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1bww s GLN 29 N -3.02 0.57 0.12 4.33 -0.21 -1.26 -4.99 119.66 115.20 1bww s GLN 29 Ca 0.09 -0.79 -0.31 0.00 0.02 0.00 0.00 55.36 54.37 1bww s GLN 29 Cb 0.12 0.22 -0.10 0.00 1.00 0.00 0.00 33.01 34.25 1bww s GLN 29 CO 0.36 -0.14 1.79 0.34 -2.12 0.00 0.00 175.29 175.53 1bww s ASP 30 N -2.15 6.45 -0.10 5.90 -1.08 -1.26 -4.71 116.67 119.72 1bww s ASP 30 Ca -0.05 2.72 0.14 0.00 -0.52 0.00 0.00 52.55 54.84 1bww s ASP 30 Cb -0.01 -2.57 0.29 0.00 -1.46 0.00 0.00 42.92 39.17 1bww s ASP 30 CO -0.05 -0.98 1.20 2.30 0.52 0.00 0.00 175.17 178.16 1bww n ILE 31 N 4.69 1.72 0.00 4.11 -5.35 -1.00 -4.98 119.36 118.54 1bww n ILE 31 Ca 0.17 -1.79 0.00 0.00 -0.27 0.00 0.00 62.75 60.86 1bww n ILE 31 Cb 0.38 -0.02 0.00 0.00 -1.74 0.00 0.00 39.64 38.26 1bww n ILE 31 CO 0.00 0.00 0.00 -0.38 -1.76 0.00 0.00 176.55 174.41 1bww n ILE 32 N -0.83 0.00 -1.70 7.28 2.08 -1.23 -1.13 119.36 123.83 1bww n ILE 32 Ca 0.14 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.45 1bww n ILE 32 Cb 0.60 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.49 1bww n ILE 32 CO 0.00 0.00 0.00 2.29 0.56 0.00 0.00 176.55 179.40 1bww n LYS 33 N 0.00 0.00 -2.76 0.38 2.85 -1.26 -1.98 118.16 115.39 1bww n LYS 33 Ca 0.00 -0.19 -0.43 0.00 -1.05 0.00 0.00 58.31 56.64 1bww n LYS 33 Cb 0.00 -0.17 0.01 0.00 -0.65 0.00 0.00 35.03 34.22 1bww n LYS 33 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1bww n TYR 34 N 0.00 3.13 -4.00 5.58 4.01 -0.28 -3.53 117.16 122.07 1bww n TYR 34 Ca 0.00 -2.88 -0.17 0.00 -0.16 0.00 0.00 57.90 54.68 1bww n TYR 34 Cb 0.51 -1.68 -0.16 0.00 -0.31 0.00 0.00 39.34 37.70 1bww n TYR 34 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1bww s LEU 35 N -1.11 1.31 0.16 7.72 2.96 -1.26 -1.57 118.68 126.89 1bww s LEU 35 Ca 0.36 -0.05 0.08 0.00 -0.22 0.00 0.00 54.13 54.29 1bww s LEU 35 Cb 0.04 -0.27 -0.04 0.00 0.50 0.00 0.00 46.19 46.43 1bww s LEU 35 CO 0.04 -0.07 -0.07 0.20 -1.32 0.00 0.00 176.35 175.12 1bww s ASN 36 N 0.85 4.41 -0.08 3.68 0.01 -0.20 -0.69 114.94 122.91 1bww s ASN 36 Ca -0.09 -0.48 0.04 0.00 -0.71 0.00 0.00 52.86 51.61 1bww s ASN 36 Cb -0.12 -0.82 -0.01 0.00 0.41 0.00 0.00 41.25 40.71 1bww s ASN 36 CO -0.01 0.12 -0.21 0.26 -1.51 0.00 0.00 177.10 175.75 1bww s TRP 37 N -1.58 2.58 0.12 2.20 0.52 -0.48 -1.45 118.94 120.85 1bww s TRP 37 Ca 0.24 -0.70 0.10 0.00 0.02 0.00 0.00 56.10 55.77 1bww s TRP 37 Cb -0.10 -1.68 -0.04 0.00 -1.15 0.00 0.00 33.47 30.51 1bww s TRP 37 CO 0.16 -0.20 -0.26 0.71 0.02 0.00 0.00 176.95 177.37 1bww s TYR 38 N -0.03 2.24 -0.11 -1.98 1.51 0.14 -1.38 117.35 117.74 1bww s TYR 38 Ca -0.06 -0.39 -0.02 0.00 -1.01 0.00 0.00 57.07 55.59 1bww s TYR 38 Cb -0.15 -1.23 -0.03 0.00 -0.11 0.00 0.00 41.96 40.45 1bww s TYR 38 CO 0.05 0.30 -0.03 -1.14 -1.11 0.00 0.00 175.55 173.62 1bww s GLN 39 N -1.96 3.24 -0.17 -0.62 0.74 -0.21 -1.12 119.66 119.57 1bww s GLN 39 Ca 0.13 -0.49 -0.01 0.00 0.05 0.00 0.00 55.36 55.04 1bww s GLN 39 Cb -0.10 -2.81 0.05 0.00 1.10 0.00 0.00 33.01 31.25 1bww s GLN 39 CO 0.05 0.49 -0.01 -1.14 -0.55 0.00 0.00 175.29 174.13 1bww s GLN 40 N -0.31 1.05 0.33 1.67 0.74 0.35 -1.24 119.66 122.26 1bww s GLN 40 Ca 0.06 -0.45 -0.10 0.00 0.05 0.00 0.00 55.36 54.91 1bww s GLN 40 Cb -0.12 -1.97 -0.07 0.00 1.10 0.00 0.00 33.01 31.95 1bww s GLN 40 CO 0.02 -0.51 0.68 0.15 -0.55 0.00 0.00 175.29 175.08 1bww s LYS 41 N 1.74 3.80 0.28 1.67 1.02 -1.26 -1.64 119.74 125.34 1bww s LYS 41 Ca -0.00 0.38 -0.30 0.00 0.02 0.00 0.00 55.97 56.07 1bww s LYS 41 Cb -0.16 -2.50 -0.12 0.00 -0.52 0.00 0.00 37.83 34.53 1bww s LYS 41 CO -0.07 0.12 1.52 -0.35 -0.92 0.00 0.00 175.35 175.64 1bww n PRO 42 N -0.82 2.46 -0.96 -1.68 -0.04 -1.26 -1.32 135.00 131.38 1bww n PRO 42 Ca 0.01 0.87 0.00 0.00 -0.04 0.00 0.00 63.50 64.35 1bww n PRO 42 Cb 0.53 -2.61 0.00 0.00 -0.04 0.00 0.00 33.50 31.39 1bww n PRO 42 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1bww n GLY 43 N 2.01 0.80 3.48 0.55 0.00 -1.26 -5.01 105.19 105.76 1bww n GLY 43 Ca 0.09 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.87 1bww n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bww s LYS 44 N -0.11 1.69 0.57 1.61 1.02 -0.43 -5.13 119.74 118.95 1bww s LYS 44 Ca 0.00 -1.81 -0.17 0.00 0.02 0.00 0.00 55.97 54.01 1bww s LYS 44 Cb 0.00 -1.66 -0.05 0.00 -0.52 0.00 0.00 37.83 35.61 1bww s LYS 44 CO 0.00 0.23 1.05 0.00 -0.92 0.00 0.00 175.35 175.71 1bww s ALA 45 N -2.61 2.79 0.60 5.17 0.00 -1.26 -4.59 121.76 121.86 1bww s ALA 45 Ca 0.30 0.43 -0.20 0.00 0.00 0.00 0.00 51.96 52.49 1bww s ALA 45 Cb -0.02 -3.23 -0.03 0.00 0.00 0.00 0.00 23.12 19.85 1bww s ALA 45 CO 0.15 -0.67 1.33 -2.30 0.00 0.00 0.00 175.76 174.26 1bww n PRO 46 N -1.78 1.39 -4.48 0.00 -0.02 -1.26 -4.67 135.00 124.18 1bww n PRO 46 Ca 0.09 0.53 -0.30 0.00 -2.02 0.00 0.00 63.50 61.79 1bww n PRO 46 Cb 0.53 -2.56 -0.17 0.00 -0.02 0.00 0.00 33.50 31.28 1bww n PRO 46 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1bww s LYS 47 N -3.15 2.52 -0.04 -0.52 2.20 -0.37 -4.97 119.74 115.41 1bww s LYS 47 Ca 0.78 -0.67 -0.30 0.00 -0.36 0.00 0.00 55.97 55.42 1bww s LYS 47 Cb -0.40 -2.12 -0.04 0.00 -1.51 0.00 0.00 37.83 33.76 1bww s LYS 47 CO 0.44 -0.07 1.37 -1.17 -0.36 0.00 0.00 175.35 175.57 1bww s LEU 48 N 0.98 4.29 -0.24 5.43 2.96 -1.26 -1.04 118.68 129.80 1bww s LEU 48 Ca -0.05 2.01 -0.10 0.00 -0.22 0.00 0.00 54.13 55.77 1bww s LEU 48 Cb -0.15 -3.55 -0.11 0.00 0.50 0.00 0.00 46.19 42.88 1bww s LEU 48 CO -0.03 -0.73 -0.29 0.18 -1.32 0.00 0.00 176.35 174.17 1bww n LEU 49 N 5.73 1.90 -3.91 -0.68 4.77 -0.48 -4.82 117.00 119.51 1bww n LEU 49 Ca 0.13 0.22 -0.19 0.00 -0.03 0.00 0.00 56.01 56.14 1bww n LEU 49 Cb 0.44 -0.72 -0.16 0.00 -2.33 0.00 0.00 43.42 40.66 1bww n LEU 49 CO 0.58 0.56 -0.41 -0.63 -1.33 0.00 0.00 177.39 176.16 1bww s ILE 50 N -2.44 0.52 -0.01 -0.08 1.01 -1.12 -1.77 121.20 117.31 1bww s ILE 50 Ca -0.33 -0.16 0.05 0.00 0.00 0.00 0.00 60.65 60.21 1bww s ILE 50 Cb 0.12 -0.52 -0.03 0.00 0.01 0.00 0.00 42.46 42.04 1bww s ILE 50 CO 0.44 0.20 -0.14 -0.47 0.00 0.00 0.00 174.94 174.97 1bww s TYR 51 N 0.63 2.69 -1.25 3.97 5.04 -0.12 -1.38 117.35 126.91 1bww s TYR 51 Ca -0.08 -0.17 -0.12 0.00 -2.44 0.00 0.00 57.07 54.26 1bww s TYR 51 Cb -0.12 -1.58 -0.00 0.00 0.35 0.00 0.00 41.96 40.61 1bww s TYR 51 CO 0.00 0.23 0.64 -1.91 -1.34 0.00 0.00 175.55 173.18 1bww n GLU 52 N 1.97 -2.24 0.00 4.97 2.13 -1.16 -1.23 120.64 125.08 1bww n GLU 52 Ca -0.17 0.44 0.00 0.00 0.66 0.00 0.00 57.16 58.09 1bww n GLU 52 Cb 0.52 -4.30 0.00 0.00 0.27 0.00 0.00 31.44 27.94 1bww n GLU 52 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1bww n ALA 53 N -4.30 0.00 -0.99 4.31 0.00 0.13 -4.20 120.51 115.46 1bww n ALA 53 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1bww n ALA 53 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.08 1bww n ALA 53 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1bww n SER 54 N 0.99 0.02 -4.47 0.00 3.41 -1.18 -3.39 113.62 108.99 1bww n SER 54 Ca 0.00 -1.00 -0.43 0.00 -0.26 0.00 0.00 58.87 57.17 1bww n SER 54 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 1bww n SER 54 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1bww s ASN 55 N -0.00 6.26 0.22 4.04 0.01 -0.36 -4.70 114.94 120.40 1bww s ASN 55 Ca 0.00 -0.71 -0.30 0.00 -0.71 0.00 0.00 52.86 51.14 1bww s ASN 55 Cb 0.00 -2.31 -0.09 0.00 0.41 0.00 0.00 41.25 39.27 1bww s ASN 55 CO 0.00 -0.88 1.25 -0.22 -1.51 0.00 0.00 177.10 175.75 1bww s LEU 56 N 2.77 4.44 0.59 0.60 2.96 -1.26 -0.95 118.68 127.83 1bww s LEU 56 Ca 0.18 2.37 -0.05 0.00 -0.22 0.00 0.00 54.13 56.41 1bww s LEU 56 Cb -0.17 -3.62 0.02 0.00 0.50 0.00 0.00 46.19 42.92 1bww s LEU 56 CO 0.14 -0.44 0.88 -1.10 -1.32 0.00 0.00 176.35 174.52 1bww s GLN 57 N -0.47 2.79 0.54 1.98 -1.52 -0.73 -4.94 119.66 117.31 1bww s GLN 57 Ca 0.53 -0.15 -0.21 0.00 -1.95 0.00 0.00 55.36 53.58 1bww s GLN 57 Cb -0.35 -2.30 -0.05 0.00 -0.22 0.00 0.00 33.01 30.08 1bww s GLN 57 CO 0.40 -0.74 1.22 0.00 -0.25 0.00 0.00 175.29 175.92 1bww s ALA 58 N -2.97 2.74 0.00 6.09 0.00 -1.26 -2.85 121.76 123.51 1bww s ALA 58 Ca 0.54 1.05 0.00 0.00 0.00 0.00 0.00 51.96 53.55 1bww s ALA 58 Cb -0.10 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.56 1bww s ALA 58 CO 0.44 -1.04 0.00 0.41 0.00 0.00 0.00 175.76 175.57 1bww n GLY 59 N 0.52 0.88 3.77 0.00 0.00 -1.26 -5.01 105.19 104.09 1bww n GLY 59 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 1bww n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bww s VAL 60 N -3.57 5.33 0.58 1.61 1.01 -1.13 -5.06 120.40 119.17 1bww s VAL 60 Ca 0.00 0.45 -0.20 0.00 0.00 0.00 0.00 61.98 62.24 1bww s VAL 60 Cb 0.00 -3.57 -0.03 0.00 0.00 0.00 0.00 36.38 32.78 1bww s VAL 60 CO 0.00 0.47 1.28 -2.84 0.00 0.00 0.00 175.10 174.01 1bww s PRO 61 N -0.07 2.95 0.00 2.72 0.02 -1.26 -4.89 135.00 134.48 1bww s PRO 61 Ca 0.16 2.03 0.16 0.00 0.02 0.00 0.00 61.00 63.36 1bww s PRO 61 Cb -0.13 -2.04 0.78 0.00 0.02 0.00 0.00 34.50 33.13 1bww s PRO 61 CO 0.04 -1.28 1.48 -1.13 -0.33 0.00 0.00 177.00 175.78 1bww n SER 62 N -1.43 0.00 0.00 2.53 3.41 -1.26 -2.39 113.62 114.49 1bww n SER 62 Ca 0.13 0.17 0.14 0.00 -0.26 0.00 0.00 58.87 59.05 1bww n SER 62 Cb 0.48 -0.34 0.72 0.00 -0.26 0.00 0.00 64.21 64.81 1bww n SER 62 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 1bww n ARG 63 N -1.34 0.40 -3.46 4.33 1.85 -1.26 -4.69 116.66 112.49 1bww n ARG 63 Ca 0.07 0.01 -0.38 0.00 -1.00 0.00 0.00 57.85 56.55 1bww n ARG 63 Cb 0.14 -1.50 -0.06 0.00 -1.05 0.00 0.00 32.46 29.99 1bww n ARG 63 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1bww s PHE 64 N -2.58 3.74 0.15 2.89 0.08 -1.00 -1.54 117.98 119.72 1bww s PHE 64 Ca 0.27 1.04 -0.15 0.00 0.12 0.00 0.00 56.93 58.20 1bww s PHE 64 Cb 0.19 -2.32 0.03 0.00 -0.57 0.00 0.00 43.02 40.35 1bww s PHE 64 CO 0.44 0.63 0.41 -1.54 -0.10 0.00 0.00 175.22 175.07 1bww s SER 65 N -1.10 -0.20 0.03 1.36 1.04 -0.83 -5.00 113.70 108.99 1bww s SER 65 Ca 0.25 -0.43 0.01 0.00 0.48 0.00 0.00 55.95 56.26 1bww s SER 65 Cb -0.17 0.49 -0.02 0.00 0.10 0.00 0.00 66.02 66.42 1bww s SER 65 CO 0.14 -0.91 -0.05 -0.83 0.98 0.00 0.00 173.24 172.57 1bww s GLY 66 N -2.84 0.36 0.21 7.32 0.00 -1.26 -1.38 107.32 109.73 1bww s GLY 66 Ca 0.06 -0.59 -0.07 0.00 0.00 0.00 0.00 44.72 44.12 1bww s GLY 66 CO -0.08 -0.64 0.28 -1.35 0.00 0.00 0.00 173.10 171.31 1bww s SER 67 N -1.26 0.05 0.00 1.64 1.04 -0.46 -4.35 113.70 110.36 1bww s SER 67 Ca -0.10 -1.14 0.00 0.00 0.48 0.00 0.00 55.95 55.19 1bww s SER 67 Cb -0.08 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.50 1bww s SER 67 CO -0.00 -0.96 0.00 0.61 0.98 0.00 0.00 173.24 173.87 1bww n GLY 68 N -0.30 1.00 3.65 7.32 0.00 -1.26 -0.62 105.19 114.97 1bww n GLY 68 Ca -0.01 -2.27 -0.01 0.00 0.00 0.00 0.00 46.02 43.73 1bww n GLY 68 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bww s SER 69 N 0.00 -0.10 1.55 1.61 1.04 -0.86 -4.95 113.70 111.99 1bww s SER 69 Ca 0.00 -0.19 0.00 0.00 0.48 0.00 0.00 55.95 56.24 1bww s SER 69 Cb 0.00 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.37 1bww s SER 69 CO 0.00 -0.46 0.00 0.61 0.98 0.00 0.00 173.24 174.37 1bww n GLY 70 N -0.44 3.23 0.00 7.32 0.00 -0.84 -2.33 105.19 112.14 1bww n GLY 70 Ca -0.07 -0.10 0.10 0.00 0.00 0.00 0.00 46.02 45.95 1bww n GLY 70 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1bww n THR 71 N 0.00 0.00 -4.77 2.61 -2.24 -1.26 -2.38 114.28 106.25 1bww n THR 71 Ca 0.00 -0.02 -0.27 0.00 -2.27 0.00 0.00 64.05 61.49 1bww n THR 71 Cb 0.00 0.98 -0.17 0.00 -2.10 0.00 0.00 70.33 69.04 1bww n THR 71 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1bww s ASP 72 N -2.99 2.18 0.03 3.42 1.11 -0.98 -1.22 116.67 118.22 1bww s ASP 72 Ca 0.07 -0.38 0.01 0.00 0.18 0.00 0.00 52.55 52.44 1bww s ASP 72 Cb 0.16 -1.01 -0.02 0.00 1.07 0.00 0.00 42.92 43.12 1bww s ASP 72 CO 0.85 0.07 -0.06 -0.31 1.18 0.00 0.00 175.17 176.90 1bww s TYR 73 N 0.58 0.50 -0.01 4.23 2.02 -0.97 -2.03 117.35 121.67 1bww s TYR 73 Ca -0.16 -0.42 0.01 0.00 -0.37 0.00 0.00 57.07 56.14 1bww s TYR 73 Cb -0.16 -0.31 0.00 0.00 -0.40 0.00 0.00 41.96 41.09 1bww s TYR 73 CO 0.05 -0.09 -0.04 0.99 -1.57 0.00 0.00 175.55 174.88 1bww s THR 74 N -1.14 0.40 -0.15 -0.71 2.01 0.20 -1.36 115.64 114.89 1bww s THR 74 Ca -0.09 -0.16 -0.02 0.00 0.31 0.00 0.00 61.69 61.73 1bww s THR 74 Cb -0.08 -0.37 -0.02 0.00 0.01 0.00 0.00 72.50 72.04 1bww s THR 74 CO -0.00 0.14 -0.09 0.12 -0.69 0.00 0.00 174.62 174.10 1bww s PHE 75 N 0.19 2.90 -0.06 4.92 5.36 0.05 -1.35 117.98 129.98 1bww s PHE 75 Ca -0.02 -0.57 0.04 0.00 -0.96 0.00 0.00 56.93 55.43 1bww s PHE 75 Cb -0.06 -1.91 -0.00 0.00 -0.34 0.00 0.00 43.02 40.71 1bww s PHE 75 CO -0.00 -0.20 -0.19 0.99 -1.46 0.00 0.00 175.22 174.36 1bww s THR 76 N 0.49 1.61 -0.27 0.12 2.01 -0.48 -0.67 115.64 118.45 1bww s THR 76 Ca -0.07 -0.80 -0.03 0.00 0.31 0.00 0.00 61.69 61.11 1bww s THR 76 Cb -0.15 -1.39 0.03 0.00 0.01 0.00 0.00 72.50 71.00 1bww s THR 76 CO 0.04 0.46 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.78 1bww s ILE 77 N 0.13 3.09 0.08 1.82 1.01 -0.12 -1.97 121.20 125.24 1bww s ILE 77 Ca -0.08 -1.08 0.16 0.00 0.00 0.00 0.00 60.65 59.66 1bww s ILE 77 Cb -0.14 -2.63 0.07 0.00 0.01 0.00 0.00 42.46 39.77 1bww s ILE 77 CO 0.04 0.09 1.60 0.77 0.00 0.00 0.00 174.94 177.44 1bww h SER 78 N 8.05 0.00 -2.01 3.58 4.64 -1.56 -1.37 113.55 124.88 1bww h SER 78 Ca -0.29 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 60.76 1bww h SER 78 Cb 1.10 0.00 -0.32 0.00 -0.31 0.00 0.00 62.40 62.87 1bww h SER 78 CO 0.57 0.49 -0.59 -0.55 -0.87 0.00 0.00 176.83 175.88 1bww s SER 79 N -6.50 1.12 0.22 4.97 0.15 -1.25 -3.97 113.70 108.43 1bww s SER 79 Ca 0.01 -0.51 -0.31 0.00 0.70 0.00 0.00 55.95 55.84 1bww s SER 79 Cb 0.10 0.75 -0.11 0.00 -1.71 0.00 0.00 66.02 65.05 1bww s SER 79 CO 0.72 -0.37 1.60 -0.22 1.20 0.00 0.00 173.24 176.17 1bww s LEU 80 N 2.43 4.37 0.25 3.45 2.96 0.55 -4.68 118.68 128.02 1bww s LEU 80 Ca 0.10 2.77 0.11 0.00 -0.22 0.00 0.00 54.13 56.89 1bww s LEU 80 Cb -0.14 -3.61 -0.05 0.00 0.50 0.00 0.00 46.19 42.90 1bww s LEU 80 CO -0.29 -0.87 -0.21 -1.10 -1.32 0.00 0.00 176.35 172.56 1bww s GLN 81 N 0.60 1.61 0.37 1.98 -1.52 -1.26 -0.22 119.66 121.22 1bww s GLN 81 Ca 0.68 -1.69 0.06 0.00 -1.95 0.00 0.00 55.36 52.47 1bww s GLN 81 Cb -0.46 -1.74 0.75 0.00 -0.22 0.00 0.00 33.01 31.34 1bww s GLN 81 CO 0.37 0.34 1.98 -1.35 -0.25 0.00 0.00 175.29 176.37 1bww h PRO 82 N 2.55 0.71 0.00 2.91 0.11 -2.00 -0.29 132.00 136.00 1bww h PRO 82 Ca -0.42 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1bww h PRO 82 Cb 1.24 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1bww h PRO 82 CO 0.57 0.47 0.00 -0.85 -0.21 0.00 0.00 178.00 177.98 1bww n GLU 83 N -4.47 0.50 0.00 1.05 0.00 -1.26 -2.80 120.64 113.67 1bww n GLU 83 Ca 0.09 0.04 0.14 0.00 0.00 0.00 0.00 57.16 57.43 1bww n GLU 83 Cb 0.19 -1.50 0.60 0.00 0.00 0.00 0.00 31.44 30.73 1bww n GLU 83 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1bww n ASP 84 N -1.11 0.74 -4.66 -1.84 8.00 -0.12 -4.85 116.55 112.71 1bww n ASP 84 Ca 0.13 -0.91 -0.42 0.00 0.71 0.00 0.00 54.79 54.30 1bww n ASP 84 Cb 0.10 -0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.16 1bww n ASP 84 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1bww s ILE 85 N -2.30 3.50 0.01 0.53 1.01 -1.12 -4.86 121.20 117.97 1bww s ILE 85 Ca 0.33 0.62 -0.27 0.00 0.00 0.00 0.00 60.65 61.32 1bww s ILE 85 Cb 0.20 -3.40 0.09 0.00 0.01 0.00 0.00 42.46 39.37 1bww s ILE 85 CO 0.43 -0.05 1.25 0.00 0.00 0.00 0.00 174.94 176.57 1bww s ALA 86 N 4.04 -2.35 -0.14 9.38 0.00 -1.23 -4.85 121.76 126.61 1bww s ALA 86 Ca 0.75 -0.03 -0.05 0.00 0.00 0.00 0.00 51.96 52.62 1bww s ALA 86 Cb -0.35 0.89 -0.04 0.00 0.00 0.00 0.00 23.12 23.62 1bww s ALA 86 CO 0.31 -1.14 0.05 0.99 0.00 0.00 0.00 175.76 175.97 1bww s THR 87 N -2.04 4.73 -0.06 0.00 2.01 -0.65 -1.56 115.64 118.08 1bww s THR 87 Ca 0.29 -0.07 0.02 0.00 0.31 0.00 0.00 61.69 62.23 1bww s THR 87 Cb -0.01 -3.08 -0.03 0.00 0.01 0.00 0.00 72.50 69.40 1bww s THR 87 CO 0.00 0.54 -0.09 -0.31 -0.69 0.00 0.00 174.62 174.07 1bww s TYR 88 N -0.26 2.86 0.04 4.92 1.51 -0.20 -0.49 117.35 125.72 1bww s TYR 88 Ca 0.08 -0.03 0.04 0.00 -1.01 0.00 0.00 57.07 56.14 1bww s TYR 88 Cb -0.12 -1.68 -0.02 0.00 -0.11 0.00 0.00 41.96 40.03 1bww s TYR 88 CO 0.02 0.29 -0.12 0.71 -1.11 0.00 0.00 175.55 175.34 1bww s TYR 89 N -0.80 1.06 0.12 2.71 2.02 -0.27 -1.91 117.35 120.28 1bww s TYR 89 Ca 0.13 -0.36 0.03 0.00 -0.37 0.00 0.00 57.07 56.50 1bww s TYR 89 Cb -0.11 -0.63 -0.04 0.00 -0.40 0.00 0.00 41.96 40.78 1bww s TYR 89 CO 0.02 0.01 0.15 0.00 -1.57 0.00 0.00 175.55 174.16 1bww s GLN 91 N -2.83 0.06 0.19 0.00 0.74 -0.53 -1.18 119.66 116.11 1bww s GLN 91 Ca 0.32 0.32 -0.07 0.00 0.05 0.00 0.00 55.36 55.97 1bww s GLN 91 Cb -0.11 -0.19 -0.06 0.00 1.10 0.00 0.00 33.01 33.75 1bww s GLN 91 CO 0.24 -0.16 0.47 1.14 -0.55 0.00 0.00 175.29 176.43 1bww s GLN 92 N 1.11 3.72 -0.05 1.67 1.03 -0.41 -1.03 119.66 125.71 1bww s GLN 92 Ca -0.09 0.11 0.22 0.00 0.04 0.00 0.00 55.36 55.64 1bww s GLN 92 Cb -0.11 -2.75 0.41 0.00 0.03 0.00 0.00 33.01 30.59 1bww s GLN 92 CO -0.05 0.39 1.18 2.48 -2.54 0.00 0.00 175.29 176.74 1bww n TYR 93 N -0.01 0.00 0.07 9.60 4.11 -0.61 -3.44 117.16 126.88 1bww n TYR 93 Ca -0.01 -0.71 -0.08 0.00 -0.00 0.00 0.00 57.90 57.10 1bww n TYR 93 Cb 0.52 -0.17 0.03 0.00 -0.00 0.00 0.00 39.34 39.72 1bww n TYR 93 CO 0.00 0.00 0.00 0.37 -0.00 0.00 0.00 176.86 177.23 1bww h GLN 94 N 0.96 0.27 -3.20 -3.48 5.75 -1.88 -3.47 115.11 110.07 1bww h GLN 94 Ca -0.17 -0.25 -0.14 0.00 -0.15 0.00 0.00 58.65 57.94 1bww h GLN 94 Cb 1.68 0.06 -0.22 0.00 1.07 0.00 0.00 27.48 30.07 1bww h GLN 94 CO 0.07 0.92 -0.39 -1.12 -2.65 0.00 0.00 178.83 175.67 1bww s SER 95 N -6.94 -0.16 0.28 -0.69 0.01 -1.26 -5.15 113.70 99.79 1bww s SER 95 Ca -0.04 0.16 -0.27 0.00 1.31 0.00 0.00 55.95 57.11 1bww s SER 95 Cb 0.11 0.36 -0.09 0.00 0.21 0.00 0.00 66.02 66.61 1bww s SER 95 CO 0.83 -0.30 0.92 -0.76 0.41 0.00 0.00 173.24 174.34 1bww s LEU 96 N -0.81 4.47 0.34 2.44 1.43 -1.26 -3.47 118.68 121.81 1bww s LEU 96 Ca -0.09 1.84 -0.26 0.00 -1.03 0.00 0.00 54.13 54.59 1bww s LEU 96 Cb -0.05 -3.80 -0.10 0.00 0.03 0.00 0.00 46.19 42.28 1bww s LEU 96 CO 0.02 0.04 0.97 -2.16 0.23 0.00 0.00 176.35 175.45 1bww s PRO 97 N -1.67 4.51 0.23 1.29 0.04 -1.26 -4.99 135.00 133.15 1bww s PRO 97 Ca 0.45 1.38 -0.30 0.00 0.04 0.00 0.00 61.00 62.57 1bww s PRO 97 Cb -0.21 -2.76 -0.10 0.00 0.04 0.00 0.00 34.50 31.47 1bww s PRO 97 CO 0.27 0.20 1.39 0.71 0.04 0.00 0.00 177.00 179.60 1bww s TYR 98 N -1.61 3.12 0.13 0.56 2.02 -1.23 -4.76 117.35 115.58 1bww s TYR 98 Ca 0.51 1.11 0.09 0.00 -0.37 0.00 0.00 57.07 58.42 1bww s TYR 98 Cb -0.20 -3.73 -0.04 0.00 -0.40 0.00 0.00 41.96 37.60 1bww s TYR 98 CO 0.25 -2.34 -0.22 0.95 -1.57 0.00 0.00 175.55 172.62 1bww s THR 99 N 0.03 1.95 0.08 -0.71 -4.23 -1.22 -4.99 115.64 106.54 1bww s THR 99 Ca 0.58 -1.73 0.03 0.00 -1.18 0.00 0.00 61.69 59.40 1bww s THR 99 Cb -0.40 -1.79 -0.04 0.00 1.34 0.00 0.00 72.50 71.62 1bww s THR 99 CO 0.41 -0.08 0.08 -0.36 -0.54 0.00 0.00 174.62 174.13 1bww s PHE 100 N -1.36 3.18 1.03 3.99 0.40 -1.26 -1.29 117.98 122.67 1bww s PHE 100 Ca 0.12 0.08 -0.12 0.00 -0.60 0.00 0.00 56.93 56.40 1bww s PHE 100 Cb -0.09 -1.62 0.21 0.00 0.51 0.00 0.00 43.02 42.03 1bww s PHE 100 CO 0.06 0.52 1.08 0.20 0.70 0.00 0.00 175.22 177.78 1bww s GLY 101 N -2.38 1.56 0.08 4.36 0.00 -0.33 -4.60 107.32 106.01 1bww s GLY 101 Ca 0.29 -0.33 0.26 0.00 0.00 0.00 0.00 44.72 44.94 1bww s GLY 101 CO 0.22 0.30 1.80 0.61 0.00 0.00 0.00 173.10 176.04 1bww n GLN 102 N -4.32 0.09 0.00 2.90 0.00 -1.26 -4.77 117.38 110.02 1bww n GLN 102 Ca 0.05 0.13 0.00 0.00 0.00 0.00 0.00 57.00 57.18 1bww n GLN 102 Cb 0.57 -1.62 0.00 0.00 0.00 0.00 0.00 30.24 29.19 1bww n GLN 102 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1bww n GLY 103 N 1.11 2.14 3.00 2.61 0.00 -1.26 -5.03 105.19 107.76 1bww n GLY 103 Ca 0.06 -1.73 -0.30 0.00 0.00 0.00 0.00 46.02 44.04 1bww n GLY 103 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bww s THR 104 N -1.99 1.63 -0.15 2.61 2.01 -0.80 -4.56 115.64 114.39 1bww s THR 104 Ca 0.00 -0.94 -0.24 0.00 0.31 0.00 0.00 61.69 60.82 1bww s THR 104 Cb 0.00 -1.67 -0.02 0.00 0.01 0.00 0.00 72.50 70.81 1bww s THR 104 CO 0.00 0.22 0.76 -0.54 -0.69 0.00 0.00 174.62 174.37 1bww s LYS 105 N 1.41 4.31 -0.17 4.92 3.01 -0.82 -1.04 119.74 131.37 1bww s LYS 105 Ca -0.00 0.90 -0.05 0.00 -1.01 0.00 0.00 55.97 55.81 1bww s LYS 105 Cb -0.16 -3.54 -0.03 0.00 -1.01 0.00 0.00 37.83 33.09 1bww s LYS 105 CO -0.09 -0.21 -0.01 -1.17 0.51 0.00 0.00 175.35 174.38 1bww s LEU 106 N 1.77 3.42 0.05 3.17 0.20 -0.60 -1.33 118.68 125.37 1bww s LEU 106 Ca 0.36 -0.07 -0.01 0.00 0.69 0.00 0.00 54.13 55.10 1bww s LEU 106 Cb -0.17 -1.84 -0.04 0.00 -0.43 0.00 0.00 46.19 43.72 1bww s LEU 106 CO 0.14 0.17 -0.02 -1.58 -0.29 0.00 0.00 176.35 174.76 1bww s GLN 107 N 0.39 0.62 -0.12 1.98 2.00 -0.45 -3.52 119.66 120.56 1bww s GLN 107 Ca -0.02 -1.21 -0.05 0.00 -2.00 0.00 0.00 55.36 52.08 1bww s GLN 107 Cb -0.14 0.22 -0.04 0.00 0.80 0.00 0.00 33.01 33.85 1bww s GLN 107 CO 0.02 -0.12 0.06 0.42 -0.50 0.00 0.00 175.29 175.17 1bww s ILE 108 N -3.92 4.78 -2.00 -2.34 1.09 -1.26 -1.81 121.20 115.74 1bww s ILE 108 Ca 0.07 -0.06 0.22 0.00 -1.10 0.00 0.00 60.65 59.78 1bww s ILE 108 Cb 0.08 -3.06 0.63 0.00 -1.06 0.00 0.00 42.46 39.04 1bww s ILE 108 CO -0.10 0.58 1.70 0.41 -0.10 0.00 0.00 174.94 177.43