#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 0.72 -2.82 0.02 -1.26 -4.99 135.00 130.04 1bww s PRO 2 Ca 0.00 1.67 -0.13 0.00 0.02 0.00 0.00 61.00 62.56 1bww s PRO 2 Cb 0.00 -2.06 0.03 0.00 0.02 0.00 0.00 34.50 32.49 1bww s PRO 2 CO 0.00 -0.84 1.10 -0.51 -0.33 0.00 0.00 177.00 176.41 1bww s ASP 3 N -1.68 4.82 -0.23 2.53 1.01 -1.26 -4.99 116.67 116.86 1bww s ASP 3 Ca 0.72 1.90 -0.20 0.00 0.71 0.00 0.00 52.55 55.67 1bww s ASP 3 Cb -0.25 -2.53 -0.02 0.00 1.01 0.00 0.00 42.92 41.12 1bww s ASP 3 CO 0.29 -1.83 0.63 -0.63 0.21 0.00 0.00 175.17 173.84 1bww s ILE 4 N -2.65 5.00 -0.13 0.77 1.01 -1.26 -5.02 121.20 118.92 1bww s ILE 4 Ca 0.64 1.15 -0.14 0.00 0.00 0.00 0.00 60.65 62.30 1bww s ILE 4 Cb -0.19 -3.93 -0.05 0.00 0.01 0.00 0.00 42.46 38.30 1bww s ILE 4 CO 0.49 0.07 0.32 -1.58 0.00 0.00 0.00 174.94 174.24 1bww s GLN 5 N 2.22 4.16 -0.18 2.79 0.74 -1.26 -4.73 119.66 123.40 1bww s GLN 5 Ca 0.27 0.16 -0.05 0.00 0.05 0.00 0.00 55.36 55.79 1bww s GLN 5 Cb -0.16 -3.38 -0.03 0.00 1.10 0.00 0.00 33.01 30.54 1bww s GLN 5 CO 0.09 0.33 0.00 -1.64 -0.55 0.00 0.00 175.29 173.53 1bww s MET 6 N 0.15 3.73 -0.29 1.67 -1.94 -1.26 -1.70 119.30 119.67 1bww s MET 6 Ca 0.18 -0.47 -0.06 0.00 -1.71 0.00 0.00 55.69 53.63 1bww s MET 6 Cb -0.14 -3.06 0.01 0.00 2.01 0.00 0.00 34.83 33.66 1bww s MET 6 CO 0.06 0.16 0.05 0.99 -0.01 0.00 0.00 175.02 176.27 1bww s THR 7 N 0.62 3.74 -0.11 2.05 2.01 0.69 -4.45 115.64 120.19 1bww s THR 7 Ca -0.00 -0.78 -0.03 0.00 0.31 0.00 0.00 61.69 61.19 1bww s THR 7 Cb -0.14 -2.94 -0.03 0.00 0.01 0.00 0.00 72.50 69.40 1bww s THR 7 CO 0.02 0.09 0.01 -1.58 -0.69 0.00 0.00 174.62 172.47 1bww s GLN 8 N 1.46 3.23 -0.06 4.92 0.74 -1.26 -0.27 119.66 128.42 1bww s GLN 8 Ca 0.02 -0.39 -0.08 0.00 0.05 0.00 0.00 55.36 54.95 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 0.01 0.59 0.21 0.45 -0.55 0.00 0.00 175.29 176.00 1bww s SER 9 N -0.57 -0.18 0.86 6.67 0.15 -0.43 -4.47 113.70 115.74 1bww s SER 9 Ca 0.10 0.30 -0.13 0.00 0.70 0.00 0.00 55.95 56.91 1bww s SER 9 Cb -0.12 0.39 0.13 0.00 -1.71 0.00 0.00 66.02 64.71 1bww s SER 9 CO 0.02 -0.15 1.22 -2.16 1.20 0.00 0.00 173.24 173.37 1bww s PRO 10 N -0.26 1.46 0.25 5.44 0.04 -1.26 -0.99 135.00 139.69 1bww s PRO 10 Ca -0.04 -0.13 0.20 0.00 0.04 0.00 0.00 61.00 61.07 1bww s PRO 10 Cb -0.03 -1.93 0.08 0.00 0.04 0.00 0.00 34.50 32.66 1bww s PRO 10 CO 0.01 -1.89 1.24 0.66 0.04 0.00 0.00 177.00 177.05 1bww h SER 11 N -1.25 0.00 -4.73 6.66 4.64 -1.81 -3.40 113.55 113.66 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 1.29 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 63.17 1bww h SER 11 CO 0.55 0.22 -0.14 -0.94 -0.87 0.00 0.00 176.83 175.65 1bww s SER 12 N -5.91 -0.37 -0.12 4.97 1.04 -1.26 -1.79 113.70 110.26 1bww s SER 12 Ca 0.02 0.44 -0.10 0.00 0.48 0.00 0.00 55.95 56.79 1bww s SER 12 Cb 0.08 0.52 0.03 0.00 0.10 0.00 0.00 66.02 66.75 1bww s SER 12 CO 0.75 -0.42 0.30 -0.22 0.98 0.00 0.00 173.24 174.64 1bww s LEU 13 N -0.91 0.73 -0.10 2.42 2.96 -0.58 -4.95 118.68 118.24 1bww s LEU 13 Ca -0.10 0.61 0.04 0.00 -0.22 0.00 0.00 54.13 54.47 1bww s LEU 13 Cb -0.04 1.01 -0.00 0.00 0.50 0.00 0.00 46.19 47.66 1bww s LEU 13 CO 0.05 -0.12 -0.24 -0.55 -1.32 0.00 0.00 176.35 174.17 1bww s SER 14 N 0.40 3.13 0.18 3.68 0.15 -1.26 -1.75 113.70 118.23 1bww s SER 14 Ca -0.02 -0.55 -0.08 0.00 0.70 0.00 0.00 55.95 56.00 1bww s SER 14 Cb -0.04 -1.40 -0.01 0.00 -1.71 0.00 0.00 66.02 62.86 1bww s SER 14 CO -0.02 0.16 0.29 0.00 1.20 0.00 0.00 173.24 174.88 1bww s ALA 15 N 0.33 0.12 0.28 5.45 0.00 -0.78 -4.86 121.76 122.30 1bww s ALA 15 Ca -0.18 -1.00 -0.00 0.00 0.00 0.00 0.00 51.96 50.78 1bww s ALA 15 Cb -0.18 0.95 -0.04 0.00 0.00 0.00 0.00 23.12 23.86 1bww s ALA 15 CO 0.09 -0.67 0.48 -1.12 0.00 0.00 0.00 175.76 174.54 1bww s SER 16 N -3.00 6.35 0.27 0.00 0.01 -1.26 -1.29 113.70 114.78 1bww s SER 16 Ca 0.21 0.43 -0.30 0.00 1.31 0.00 0.00 55.95 57.60 1bww s SER 16 Cb 0.03 -2.02 -0.13 0.00 0.21 0.00 0.00 66.02 64.11 1bww s SER 16 CO 0.03 -0.17 1.31 0.52 0.41 0.00 0.00 173.24 175.33 1bww n VAL 17 N -1.24 1.34 0.00 3.43 0.31 -1.26 -1.56 118.33 119.35 1bww n VAL 17 Ca -0.05 -0.34 0.00 0.00 -0.01 0.00 0.00 64.34 63.95 1bww n VAL 17 Cb 0.55 -1.38 0.00 0.00 -0.91 0.00 0.00 33.84 32.10 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 1.68 2.50 3.76 2.92 0.00 0.11 -4.90 105.19 111.25 1bww n GLY 18 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.12 4.48 -0.05 1.61 1.01 -0.60 -4.33 116.67 116.67 1bww s ASP 19 Ca 0.00 1.90 -0.20 0.00 0.71 0.00 0.00 52.55 54.95 1bww s ASP 19 Cb 0.00 -2.53 -0.05 0.00 1.01 0.00 0.00 42.92 41.35 1bww s ASP 19 CO 0.00 -2.05 0.57 -0.60 0.21 0.00 0.00 175.17 173.30 1bww s ARG 20 N -4.72 4.33 -0.04 8.23 3.52 -1.26 -0.16 118.95 128.86 1bww s ARG 20 Ca 0.63 0.66 0.04 0.00 -0.13 0.00 0.00 55.73 56.92 1bww s ARG 20 Cb -0.18 -3.38 -0.00 0.00 -1.56 0.00 0.00 34.95 29.82 1bww s ARG 20 CO 0.53 0.26 -0.14 0.08 -0.81 0.00 0.00 175.30 175.22 1bww s VAL 21 N 0.20 1.18 0.01 7.11 1.01 -0.68 -5.01 120.40 124.22 1bww s VAL 21 Ca 0.30 -0.58 0.06 0.00 0.00 0.00 0.00 61.98 61.76 1bww s VAL 21 Cb -0.17 -1.02 -0.02 0.00 0.00 0.00 0.00 36.38 35.17 1bww s VAL 21 CO 0.15 0.35 -0.17 0.42 0.00 0.00 0.00 175.10 175.85 1bww s THR 22 N 0.09 1.35 -0.05 3.92 -4.23 -1.26 -1.15 115.64 114.30 1bww s THR 22 Ca -0.03 -0.86 0.04 0.00 -1.18 0.00 0.00 61.69 59.65 1bww s THR 22 Cb -0.10 -1.15 0.00 0.00 1.34 0.00 0.00 72.50 72.59 1bww s THR 22 CO 0.01 0.27 -0.16 -0.63 -0.54 0.00 0.00 174.62 173.57 1bww s ILE 23 N -0.55 1.41 0.18 2.99 1.01 -0.29 -4.75 121.20 121.20 1bww s ILE 23 Ca 0.06 -0.68 0.09 0.00 0.00 0.00 0.00 60.65 60.11 1bww s ILE 23 Cb -0.07 -1.23 -0.04 0.00 0.01 0.00 0.00 42.46 41.12 1bww s ILE 23 CO 0.00 0.41 -0.10 0.42 0.00 0.00 0.00 174.94 175.68 1bww s THR 24 N 0.24 3.19 -0.04 2.92 -4.23 -0.16 -0.88 115.64 116.68 1bww s THR 24 Ca -0.08 -1.64 -0.01 0.00 -1.18 0.00 0.00 61.69 58.78 1bww s THR 24 Cb -0.13 -2.57 0.03 0.00 1.34 0.00 0.00 72.50 71.16 1bww s THR 24 CO 0.03 -0.10 0.03 0.00 -0.54 0.00 0.00 174.62 174.04 1bww s GLN 26 N 1.56 2.76 0.08 0.00 0.74 0.62 -2.24 119.66 123.19 1bww s GLN 26 Ca -0.02 -0.88 -0.07 0.00 0.05 0.00 0.00 55.36 54.44 1bww s GLN 26 Cb -0.13 -2.24 -0.05 0.00 1.10 0.00 0.00 33.01 31.69 1bww s GLN 26 CO -0.03 0.32 0.35 0.00 -0.55 0.00 0.00 175.29 175.38 1bww s ALA 27 N 0.01 3.79 -1.33 1.58 0.00 -0.44 -0.23 121.76 125.14 1bww s ALA 27 Ca -0.08 -0.51 0.24 0.00 0.00 0.00 0.00 51.96 51.61 1bww s ALA 27 Cb -0.15 -2.15 1.19 0.00 0.00 0.00 0.00 23.12 22.01 1bww s ALA 27 CO 0.05 0.64 1.81 -1.13 0.00 0.00 0.00 175.76 177.13 1bww n SER 28 N 0.64 0.00 -3.81 0.00 3.41 -0.69 -4.75 113.62 108.42 1bww n SER 28 Ca -0.07 0.07 -0.11 0.00 -0.26 0.00 0.00 58.87 58.51 1bww n SER 28 Cb 0.52 -0.34 -0.08 0.00 -0.26 0.00 0.00 64.21 64.06 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 -2.67 0.77 0.05 4.33 -0.21 -1.26 -4.98 119.66 115.67 1bww s GLN 29 Ca 0.20 -0.64 -0.34 0.00 0.02 0.00 0.00 55.36 54.61 1bww s GLN 29 Cb 0.16 0.32 -0.13 0.00 1.00 0.00 0.00 33.01 34.37 1bww s GLN 29 CO 0.39 -0.24 1.73 -3.47 -2.12 0.00 0.00 175.29 171.58 1bww n ASP 30 N 0.50 3.29 -0.33 5.90 2.03 -1.26 -4.72 116.55 121.96 1bww n ASP 30 Ca -0.18 1.03 0.07 0.00 0.52 0.00 0.00 54.79 56.23 1bww n ASP 30 Cb 0.60 -1.40 0.14 0.00 -0.72 0.00 0.00 41.12 39.73 1bww n ASP 30 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 1bww n ILE 31 N 4.26 1.67 0.00 5.18 -5.35 -1.07 -4.99 119.36 119.06 1bww n ILE 31 Ca 0.20 -1.72 0.00 0.00 -0.27 0.00 0.00 62.75 60.96 1bww n ILE 31 Cb 0.29 0.02 0.00 0.00 -1.74 0.00 0.00 39.64 38.21 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 -0.74 0.00 -1.81 7.28 2.08 -1.24 -1.13 119.36 123.80 1bww n ILE 32 Ca 0.13 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.44 1bww n ILE 32 Cb 0.59 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.48 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 -2.71 0.38 2.85 -1.26 -1.56 118.16 115.86 1bww n LYS 33 Ca 0.00 -0.30 -0.43 0.00 -1.05 0.00 0.00 58.31 56.53 1bww n LYS 33 Cb 0.00 -0.20 0.00 0.00 -0.65 0.00 0.00 35.03 34.19 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 3.45 -4.13 5.58 4.01 -0.28 -3.39 117.16 122.39 1bww n TYR 34 Ca 0.00 -2.97 -0.19 0.00 -0.16 0.00 0.00 57.90 54.58 1bww n TYR 34 Cb 0.54 -1.82 -0.16 0.00 -0.31 0.00 0.00 39.34 37.59 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 -0.49 1.37 0.15 7.72 2.96 -1.26 -1.66 118.68 127.48 1bww s LEU 35 Ca 0.38 -0.11 0.08 0.00 -0.22 0.00 0.00 54.13 54.25 1bww s LEU 35 Cb 0.04 -0.39 -0.04 0.00 0.50 0.00 0.00 46.19 46.30 1bww s LEU 35 CO 0.02 -0.05 -0.05 0.20 -1.32 0.00 0.00 176.35 175.15 1bww s ASN 36 N 0.82 4.55 -0.07 3.68 0.01 0.12 -0.87 114.94 123.19 1bww s ASN 36 Ca -0.10 -0.43 0.05 0.00 -0.71 0.00 0.00 52.86 51.67 1bww s ASN 36 Cb -0.13 -0.90 -0.01 0.00 0.41 0.00 0.00 41.25 40.62 1bww s ASN 36 CO -0.00 0.12 -0.24 0.26 -1.51 0.00 0.00 177.10 175.73 1bww s TRP 37 N -1.57 2.48 0.09 2.20 0.52 -0.68 -1.21 118.94 120.78 1bww s TRP 37 Ca 0.25 -0.74 0.09 0.00 0.02 0.00 0.00 56.10 55.72 1bww s TRP 37 Cb -0.10 -1.62 -0.03 0.00 -1.15 0.00 0.00 33.47 30.56 1bww s TRP 37 CO 0.16 -0.22 -0.23 0.71 0.02 0.00 0.00 176.95 177.39 1bww s TYR 38 N -0.11 2.02 -0.10 -1.98 1.51 0.18 -1.07 117.35 117.80 1bww s TYR 38 Ca -0.05 -0.40 -0.01 0.00 -1.01 0.00 0.00 57.07 55.60 1bww s TYR 38 Cb -0.14 -1.13 -0.03 0.00 -0.11 0.00 0.00 41.96 40.55 1bww s TYR 38 CO 0.04 0.22 -0.05 -1.14 -1.11 0.00 0.00 175.55 173.51 1bww s GLN 39 N -1.74 3.06 -0.14 -0.62 0.74 -0.56 -0.94 119.66 119.46 1bww s GLN 39 Ca 0.10 -0.53 -0.02 0.00 0.05 0.00 0.00 55.36 54.96 1bww s GLN 39 Cb -0.10 -2.71 0.04 0.00 1.10 0.00 0.00 33.01 31.35 1bww s GLN 39 CO 0.04 0.53 0.01 -1.14 -0.55 0.00 0.00 175.29 174.18 1bww s GLN 40 N -0.45 0.74 0.35 1.67 0.74 0.58 -1.48 119.66 121.82 1bww s GLN 40 Ca 0.07 -0.20 -0.10 0.00 0.05 0.00 0.00 55.36 55.18 1bww s GLN 40 Cb -0.12 -1.62 -0.07 0.00 1.10 0.00 0.00 33.01 32.31 1bww s GLN 40 CO 0.02 -0.47 0.69 0.15 -0.55 0.00 0.00 175.29 175.14 1bww s LYS 41 N 1.88 3.78 0.33 1.67 1.02 -1.26 -1.86 119.74 125.30 1bww s LYS 41 Ca 0.02 0.37 -0.29 0.00 0.02 0.00 0.00 55.97 56.09 1bww s LYS 41 Cb -0.15 -2.48 -0.11 0.00 -0.52 0.00 0.00 37.83 34.57 1bww s LYS 41 CO -0.07 0.08 1.56 -0.35 -0.92 0.00 0.00 175.35 175.65 1bww n PRO 42 N -0.97 2.72 -0.83 -1.68 -0.04 -1.26 -1.33 135.00 131.61 1bww n PRO 42 Ca 0.01 0.96 0.00 0.00 -0.04 0.00 0.00 63.50 64.44 1bww n PRO 42 Cb 0.54 -2.73 0.00 0.00 -0.04 0.00 0.00 33.50 31.27 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 1.43 0.83 3.62 0.55 0.00 -1.26 -5.00 105.19 105.36 1bww n GLY 43 Ca 0.05 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.24 2.08 0.59 1.61 1.02 -0.44 -5.13 119.74 119.23 1bww s LYS 44 Ca 0.00 -1.68 -0.15 0.00 0.02 0.00 0.00 55.97 54.16 1bww s LYS 44 Cb 0.00 -1.96 -0.04 0.00 -0.52 0.00 0.00 37.83 35.31 1bww s LYS 44 CO 0.00 0.20 1.04 0.00 -0.92 0.00 0.00 175.35 175.67 1bww s ALA 45 N -2.48 2.84 0.66 5.17 0.00 -1.26 -4.60 121.76 122.09 1bww s ALA 45 Ca 0.34 0.26 -0.17 0.00 0.00 0.00 0.00 51.96 52.39 1bww s ALA 45 Cb -0.02 -3.18 0.00 0.00 0.00 0.00 0.00 23.12 19.92 1bww s ALA 45 CO 0.19 -0.70 1.20 -2.14 0.00 0.00 0.00 175.76 174.30 1bww s PRO 46 N -4.28 2.57 -0.13 0.00 0.02 -1.26 -4.66 135.00 127.26 1bww s PRO 46 Ca 0.61 1.75 0.02 0.00 0.02 0.00 0.00 61.00 63.40 1bww s PRO 46 Cb -0.14 -1.89 0.01 0.00 0.02 0.00 0.00 34.50 32.51 1bww s PRO 46 CO 0.39 -1.50 -0.17 0.21 -0.33 0.00 0.00 177.00 175.59 1bww s LYS 47 N -3.69 2.52 -0.02 5.54 2.20 -0.55 -4.97 119.74 120.77 1bww s LYS 47 Ca 0.75 -0.67 -0.30 0.00 -0.36 0.00 0.00 55.97 55.39 1bww s LYS 47 Cb -0.29 -2.13 -0.05 0.00 -1.51 0.00 0.00 37.83 33.85 1bww s LYS 47 CO 0.40 -0.08 1.49 -1.17 -0.36 0.00 0.00 175.35 175.63 1bww s LEU 48 N 1.01 4.31 -0.26 5.43 2.96 -1.26 -1.50 118.68 129.37 1bww s LEU 48 Ca -0.05 2.16 -0.11 0.00 -0.22 0.00 0.00 54.13 55.92 1bww s LEU 48 Cb -0.15 -3.55 -0.12 0.00 0.50 0.00 0.00 46.19 42.87 1bww s LEU 48 CO -0.03 -0.80 -0.32 0.18 -1.32 0.00 0.00 176.35 174.05 1bww n LEU 49 N 6.00 2.07 -3.91 -0.68 4.77 -0.23 -4.81 117.00 120.21 1bww n LEU 49 Ca 0.15 0.24 -0.19 0.00 -0.03 0.00 0.00 56.01 56.18 1bww n LEU 49 Cb 0.43 -0.80 -0.16 0.00 -2.33 0.00 0.00 43.42 40.56 1bww n LEU 49 CO 0.60 0.62 -0.41 -0.63 -1.33 0.00 0.00 177.39 176.24 1bww s ILE 50 N -2.49 0.53 -0.06 -0.08 1.01 -1.10 -1.61 121.20 117.41 1bww s ILE 50 Ca -0.36 -0.16 0.02 0.00 0.00 0.00 0.00 60.65 60.15 1bww s ILE 50 Cb 0.13 -0.53 -0.03 0.00 0.01 0.00 0.00 42.46 42.05 1bww s ILE 50 CO 0.49 0.20 -0.11 -0.47 0.00 0.00 0.00 174.94 175.05 1bww s TYR 51 N 0.65 2.81 -1.20 3.97 5.04 -0.45 -1.68 117.35 126.48 1bww s TYR 51 Ca -0.09 -0.08 -0.18 0.00 -2.44 0.00 0.00 57.07 54.28 1bww s TYR 51 Cb -0.12 -1.67 -0.00 0.00 0.35 0.00 0.00 41.96 40.52 1bww s TYR 51 CO 0.00 0.25 0.71 -1.91 -1.34 0.00 0.00 175.55 173.26 1bww n GLU 52 N 2.28 -1.54 0.00 4.97 2.13 -1.15 -1.49 120.64 125.84 1bww n GLU 52 Ca -0.18 0.40 0.00 0.00 0.66 0.00 0.00 57.16 58.05 1bww n GLU 52 Cb 0.52 -4.02 0.00 0.00 0.27 0.00 0.00 31.44 28.21 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 -4.33 0.00 -1.05 4.31 0.00 -0.05 -4.19 120.51 115.20 1bww n ALA 53 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1bww n ALA 53 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 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 1.11 0.00 -4.47 0.00 3.41 -1.20 -3.43 113.62 109.04 1bww n SER 54 Ca 0.00 -1.00 -0.43 0.00 -0.26 0.00 0.00 58.87 57.18 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 0.26 4.04 0.01 -0.55 -4.69 114.94 120.27 1bww s ASN 55 Ca 0.00 -0.71 -0.29 0.00 -0.71 0.00 0.00 52.86 51.15 1bww s ASN 55 Cb 0.00 -2.31 -0.09 0.00 0.41 0.00 0.00 41.25 39.26 1bww s ASN 55 CO 0.00 -0.88 1.23 -0.22 -1.51 0.00 0.00 177.10 175.73 1bww s LEU 56 N 2.77 4.46 0.57 0.60 2.96 -1.26 -1.34 118.68 127.44 1bww s LEU 56 Ca 0.18 2.43 -0.04 0.00 -0.22 0.00 0.00 54.13 56.48 1bww s LEU 56 Cb -0.17 -3.63 0.01 0.00 0.50 0.00 0.00 46.19 42.90 1bww s LEU 56 CO 0.14 -0.40 0.85 -1.10 -1.32 0.00 0.00 176.35 174.53 1bww s GLN 57 N -1.02 2.87 0.54 1.98 -1.52 -0.63 -4.94 119.66 116.94 1bww s GLN 57 Ca 0.50 -0.18 -0.21 0.00 -1.95 0.00 0.00 55.36 53.53 1bww s GLN 57 Cb -0.36 -2.34 -0.05 0.00 -0.22 0.00 0.00 33.01 30.05 1bww s GLN 57 CO 0.43 -0.65 1.23 0.00 -0.25 0.00 0.00 175.29 176.05 1bww s ALA 58 N -2.90 2.74 0.00 6.09 0.00 -1.26 -2.88 121.76 123.54 1bww s ALA 58 Ca 0.53 1.07 0.00 0.00 0.00 0.00 0.00 51.96 53.56 1bww s ALA 58 Cb -0.10 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.55 1bww s ALA 58 CO 0.43 -1.07 0.00 0.41 0.00 0.00 0.00 175.76 175.53 1bww n GLY 59 N 0.54 1.23 3.80 0.00 0.00 -1.26 -5.02 105.19 104.47 1bww n GLY 59 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.55 5.38 0.53 1.61 1.01 -1.14 -5.06 120.40 119.18 1bww s VAL 60 Ca 0.00 0.35 -0.21 0.00 0.00 0.00 0.00 61.98 62.12 1bww s VAL 60 Cb 0.00 -3.51 -0.05 0.00 0.00 0.00 0.00 36.38 32.82 1bww s VAL 60 CO 0.00 0.51 1.25 -2.84 0.00 0.00 0.00 175.10 174.02 1bww s PRO 61 N -0.29 3.28 0.00 2.72 0.02 -1.26 -4.88 135.00 134.59 1bww s PRO 61 Ca 0.14 1.96 0.17 0.00 0.02 0.00 0.00 61.00 63.29 1bww s PRO 61 Cb -0.12 -2.20 0.89 0.00 0.02 0.00 0.00 34.50 33.08 1bww s PRO 61 CO 0.03 -0.99 1.47 -1.13 -0.33 0.00 0.00 177.00 176.05 1bww n SER 62 N -1.03 0.00 0.03 2.53 3.41 -1.26 -2.04 113.62 115.26 1bww n SER 62 Ca 0.10 -0.10 0.12 0.00 -0.26 0.00 0.00 58.87 58.73 1bww n SER 62 Cb 0.47 -0.21 0.50 0.00 -0.26 0.00 0.00 64.21 64.71 1bww n SER 62 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1bww n ARG 63 N -1.21 0.08 -3.43 4.33 1.74 -1.26 -4.76 116.66 112.15 1bww n ARG 63 Ca 0.09 0.13 -0.36 0.00 -0.77 0.00 0.00 57.85 56.94 1bww n ARG 63 Cb 0.11 -1.60 -0.06 0.00 -1.02 0.00 0.00 32.46 29.90 1bww n ARG 63 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1bww s PHE 64 N -3.05 3.65 0.13 -1.55 0.08 -0.87 -0.97 117.98 115.41 1bww s PHE 64 Ca 0.11 1.01 -0.15 0.00 0.12 0.00 0.00 56.93 58.02 1bww s PHE 64 Cb 0.15 -2.32 0.03 0.00 -0.57 0.00 0.00 43.02 40.31 1bww s PHE 64 CO 0.48 0.52 0.39 -1.54 -0.10 0.00 0.00 175.22 174.97 1bww s SER 65 N -1.51 -0.19 0.03 1.36 1.04 -0.62 -5.01 113.70 108.80 1bww s SER 65 Ca 0.32 -0.40 0.03 0.00 0.48 0.00 0.00 55.95 56.38 1bww s SER 65 Cb -0.16 0.47 -0.02 0.00 0.10 0.00 0.00 66.02 66.42 1bww s SER 65 CO 0.18 -0.87 -0.09 -0.83 0.98 0.00 0.00 173.24 172.61 1bww s GLY 66 N -2.83 0.53 0.22 7.32 0.00 -1.26 -1.16 107.32 110.13 1bww s GLY 66 Ca 0.05 -0.64 -0.03 0.00 0.00 0.00 0.00 44.72 44.09 1bww s GLY 66 CO -0.10 -0.64 0.22 -1.35 0.00 0.00 0.00 173.10 171.22 1bww s SER 67 N -1.06 0.15 0.00 1.64 1.04 -0.32 -4.33 113.70 110.83 1bww s SER 67 Ca -0.03 -1.30 0.00 0.00 0.48 0.00 0.00 55.95 55.10 1bww s SER 67 Cb -0.07 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.48 1bww s SER 67 CO 0.01 -0.92 0.00 0.61 0.98 0.00 0.00 173.24 173.92 1bww n GLY 68 N -0.31 1.05 3.62 7.32 0.00 -1.26 -0.79 105.19 114.81 1bww n GLY 68 Ca 0.01 -2.27 -0.02 0.00 0.00 0.00 0.00 46.02 43.75 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 -0.12 1.67 1.61 1.04 -1.01 -4.96 113.70 111.94 1bww s SER 69 Ca 0.00 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.31 1bww s SER 69 Cb 0.00 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.34 1bww s SER 69 CO 0.00 -0.38 0.00 0.61 0.98 0.00 0.00 173.24 174.45 1bww n GLY 70 N -0.35 3.65 0.00 7.32 0.00 -0.60 -2.63 105.19 112.57 1bww n GLY 70 Ca -0.06 -0.06 0.10 0.00 0.00 0.00 0.00 46.02 46.00 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 -4.57 2.61 -2.24 -1.26 -2.58 114.28 106.23 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 2.15 0.04 3.42 1.11 -1.08 -1.33 116.67 117.99 1bww s ASP 72 Ca 0.07 -0.37 0.03 0.00 0.18 0.00 0.00 52.55 52.47 1bww s ASP 72 Cb 0.16 -0.97 -0.02 0.00 1.07 0.00 0.00 42.92 43.15 1bww s ASP 72 CO 0.85 0.03 -0.09 -0.31 1.18 0.00 0.00 175.17 176.83 1bww s TYR 73 N 0.80 0.81 -0.01 4.23 1.51 -0.95 -2.39 117.35 121.34 1bww s TYR 73 Ca -0.11 -0.43 0.02 0.00 -1.01 0.00 0.00 57.07 55.54 1bww s TYR 73 Cb -0.16 -0.48 -0.00 0.00 -0.11 0.00 0.00 41.96 41.21 1bww s TYR 73 CO 0.02 -0.03 -0.07 0.99 -1.11 0.00 0.00 175.55 175.34 1bww s THR 74 N -1.15 0.61 -0.15 -0.71 2.01 0.03 -1.30 115.64 114.98 1bww s THR 74 Ca -0.06 -0.29 -0.02 0.00 0.31 0.00 0.00 61.69 61.62 1bww s THR 74 Cb -0.09 -0.53 -0.02 0.00 0.01 0.00 0.00 72.50 71.87 1bww s THR 74 CO 0.01 0.19 -0.07 0.12 -0.69 0.00 0.00 174.62 174.17 1bww s PHE 75 N 0.05 2.95 -0.06 4.92 5.36 -0.05 -1.17 117.98 129.97 1bww s PHE 75 Ca -0.00 -0.45 0.04 0.00 -0.96 0.00 0.00 56.93 55.56 1bww s PHE 75 Cb -0.06 -1.92 -0.00 0.00 -0.34 0.00 0.00 43.02 40.70 1bww s PHE 75 CO -0.00 -0.12 -0.19 0.99 -1.46 0.00 0.00 175.22 174.44 1bww s THR 76 N 0.40 1.61 -0.27 0.12 2.01 -0.31 -1.14 115.64 118.06 1bww s THR 76 Ca -0.06 -0.80 -0.04 0.00 0.31 0.00 0.00 61.69 61.10 1bww s THR 76 Cb -0.15 -1.38 0.02 0.00 0.01 0.00 0.00 72.50 71.00 1bww s THR 76 CO 0.04 0.46 0.01 -0.63 -0.69 0.00 0.00 174.62 173.80 1bww s ILE 77 N 0.11 3.40 0.18 1.82 1.01 -0.30 -1.59 121.20 125.83 1bww s ILE 77 Ca -0.07 -0.87 0.13 0.00 0.00 0.00 0.00 60.65 59.83 1bww s ILE 77 Cb -0.13 -2.75 -0.01 0.00 0.01 0.00 0.00 42.46 39.58 1bww s ILE 77 CO 0.04 0.13 1.58 0.77 0.00 0.00 0.00 174.94 177.46 1bww h SER 78 N 8.12 0.00 -2.07 3.58 4.64 -1.34 -1.82 113.55 124.66 1bww h SER 78 Ca -0.32 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 60.74 1bww h SER 78 Cb 1.12 0.00 -0.32 0.00 -0.31 0.00 0.00 62.40 62.89 1bww h SER 78 CO 0.59 0.61 -0.59 -0.55 -0.87 0.00 0.00 176.83 176.02 1bww s SER 79 N -6.68 1.12 0.20 4.97 0.15 -1.25 -4.05 113.70 108.16 1bww s SER 79 Ca -0.00 -0.42 -0.31 0.00 0.70 0.00 0.00 55.95 55.91 1bww s SER 79 Cb 0.11 0.72 -0.11 0.00 -1.71 0.00 0.00 66.02 65.03 1bww s SER 79 CO 0.75 -0.36 1.59 -0.22 1.20 0.00 0.00 173.24 176.20 1bww s LEU 80 N 2.43 4.37 0.18 3.45 2.96 0.78 -4.70 118.68 128.14 1bww s LEU 80 Ca 0.10 2.73 0.11 0.00 -0.22 0.00 0.00 54.13 56.85 1bww s LEU 80 Cb -0.14 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 42.90 1bww s LEU 80 CO -0.26 -0.85 -0.24 -1.10 -1.32 0.00 0.00 176.35 172.57 1bww s GLN 81 N 0.74 1.49 0.40 1.98 -1.52 -1.26 -0.72 119.66 120.78 1bww s GLN 81 Ca 0.69 -1.50 0.12 0.00 -1.95 0.00 0.00 55.36 52.73 1bww s GLN 81 Cb -0.45 -1.84 0.95 0.00 -0.22 0.00 0.00 33.01 31.44 1bww s GLN 81 CO 0.35 0.40 1.92 -1.35 -0.25 0.00 0.00 175.29 176.36 1bww h PRO 82 N 3.31 0.52 0.00 2.91 0.11 -1.99 0.16 132.00 137.01 1bww h PRO 82 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1bww h PRO 82 Cb 1.20 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1bww h PRO 82 CO 0.47 0.34 0.00 -0.85 -0.21 0.00 0.00 178.00 177.75 1bww n GLU 83 N -4.50 0.18 0.00 1.05 0.00 -1.26 -2.62 120.64 113.49 1bww n GLU 83 Ca 0.14 0.16 0.15 0.00 0.00 0.00 0.00 57.16 57.61 1bww n GLU 83 Cb 0.46 -1.50 0.72 0.00 0.00 0.00 0.00 31.44 31.12 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 -1.32 0.27 -4.66 -1.84 8.00 0.58 -4.84 116.55 112.73 1bww n ASP 84 Ca 0.06 -0.56 -0.43 0.00 0.71 0.00 0.00 54.79 54.58 1bww n ASP 84 Cb 0.13 -0.12 -0.02 0.00 -0.02 0.00 0.00 41.12 41.08 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 -2.39 3.88 0.05 0.53 1.01 -1.08 -4.88 121.20 118.33 1bww s ILE 85 Ca 0.33 1.07 -0.22 0.00 0.00 0.00 0.00 60.65 61.82 1bww s ILE 85 Cb 0.21 -3.69 0.08 0.00 0.01 0.00 0.00 42.46 39.06 1bww s ILE 85 CO 0.44 -0.09 1.03 0.00 0.00 0.00 0.00 174.94 176.32 1bww n ALA 86 N 6.88 -2.83 -2.80 9.38 0.00 -1.24 -4.87 120.51 125.03 1bww n ALA 86 Ca 0.16 -0.78 -0.35 0.00 0.00 0.00 0.00 53.44 52.47 1bww n ALA 86 Cb 0.44 0.28 -0.09 0.00 0.00 0.00 0.00 19.45 20.08 1bww n ALA 86 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1bww s THR 87 N -2.07 4.89 -0.05 0.00 2.01 -0.78 -1.72 115.64 117.93 1bww s THR 87 Ca 0.24 -0.01 0.02 0.00 0.31 0.00 0.00 61.69 62.25 1bww s THR 87 Cb -0.01 -3.16 -0.03 0.00 0.01 0.00 0.00 72.50 69.30 1bww s THR 87 CO 0.02 0.52 -0.09 -0.31 -0.69 0.00 0.00 174.62 174.07 1bww s TYR 88 N -0.18 2.86 0.03 4.92 1.51 -0.44 -0.31 117.35 125.74 1bww s TYR 88 Ca 0.08 -0.04 0.04 0.00 -1.01 0.00 0.00 57.07 56.14 1bww s TYR 88 Cb -0.12 -1.67 -0.02 0.00 -0.11 0.00 0.00 41.96 40.04 1bww s TYR 88 CO 0.01 0.30 -0.11 0.71 -1.11 0.00 0.00 175.55 175.34 1bww s TYR 89 N -0.82 1.00 0.11 2.71 2.02 -0.12 -1.63 117.35 120.62 1bww s TYR 89 Ca 0.13 -0.34 0.03 0.00 -0.37 0.00 0.00 57.07 56.51 1bww s TYR 89 Cb -0.11 -0.60 -0.04 0.00 -0.40 0.00 0.00 41.96 40.81 1bww s TYR 89 CO 0.02 0.00 0.15 0.00 -1.57 0.00 0.00 175.55 174.16 1bww s GLN 91 N -2.72 0.08 0.18 0.00 0.74 -0.35 -1.09 119.66 116.50 1bww s GLN 91 Ca 0.32 0.39 -0.09 0.00 0.05 0.00 0.00 55.36 56.03 1bww s GLN 91 Cb -0.12 -0.20 -0.07 0.00 1.10 0.00 0.00 33.01 33.73 1bww s GLN 91 CO 0.25 -0.19 0.49 1.14 -0.55 0.00 0.00 175.29 176.43 1bww s GLN 92 N 1.34 3.78 -0.07 1.67 1.03 -0.44 -0.71 119.66 126.26 1bww s GLN 92 Ca -0.07 0.21 0.22 0.00 0.04 0.00 0.00 55.36 55.75 1bww s GLN 92 Cb -0.12 -2.78 0.43 0.00 0.03 0.00 0.00 33.01 30.57 1bww s GLN 92 CO -0.06 0.41 1.18 2.48 -2.54 0.00 0.00 175.29 176.76 1bww n TYR 93 N 0.20 0.13 0.07 9.60 4.11 -0.66 -3.48 117.16 127.13 1bww n TYR 93 Ca -0.02 -0.87 -0.10 0.00 -0.00 0.00 0.00 57.90 56.90 1bww n TYR 93 Cb 0.52 -0.18 -0.01 0.00 -0.00 0.00 0.00 39.34 39.67 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 1.12 0.32 -3.33 -3.48 5.75 -1.87 -3.47 115.11 110.15 1bww h GLN 94 Ca -0.16 -0.32 -0.15 0.00 -0.15 0.00 0.00 58.65 57.87 1bww h GLN 94 Cb 1.64 0.09 -0.22 0.00 1.07 0.00 0.00 27.48 30.06 1bww h GLN 94 CO 0.09 1.00 -0.44 -1.12 -2.65 0.00 0.00 178.83 175.72 1bww s SER 95 N -6.99 -0.09 0.26 -0.69 0.01 -1.26 -5.15 113.70 99.80 1bww s SER 95 Ca -0.05 0.02 -0.25 0.00 1.31 0.00 0.00 55.95 56.99 1bww s SER 95 Cb 0.10 0.29 -0.09 0.00 0.21 0.00 0.00 66.02 66.53 1bww s SER 95 CO 0.84 -0.31 0.87 -0.76 0.41 0.00 0.00 173.24 174.29 1bww s LEU 96 N -0.97 4.42 0.33 2.44 1.43 -1.26 -3.46 118.68 121.61 1bww s LEU 96 Ca -0.11 1.73 -0.26 0.00 -1.03 0.00 0.00 54.13 54.46 1bww s LEU 96 Cb -0.05 -3.75 -0.09 0.00 0.03 0.00 0.00 46.19 42.32 1bww s LEU 96 CO 0.02 0.03 1.00 -2.16 0.23 0.00 0.00 176.35 175.47 1bww s PRO 97 N -1.78 4.51 0.28 1.29 0.04 -1.26 -4.96 135.00 133.11 1bww s PRO 97 Ca 0.45 1.48 -0.30 0.00 0.04 0.00 0.00 61.00 62.67 1bww s PRO 97 Cb -0.20 -2.84 -0.10 0.00 0.04 0.00 0.00 34.50 31.40 1bww s PRO 97 CO 0.25 0.18 1.41 0.71 0.04 0.00 0.00 177.00 179.58 1bww s TYR 98 N -1.51 3.00 0.09 0.56 2.02 -1.22 -4.75 117.35 115.54 1bww s TYR 98 Ca 0.50 1.13 0.08 0.00 -0.37 0.00 0.00 57.07 58.41 1bww s TYR 98 Cb -0.23 -3.80 -0.03 0.00 -0.40 0.00 0.00 41.96 37.50 1bww s TYR 98 CO 0.29 -2.49 -0.21 0.95 -1.57 0.00 0.00 175.55 172.51 1bww s THR 99 N -0.34 1.75 0.07 -0.71 -4.23 -1.23 -4.99 115.64 105.96 1bww s THR 99 Ca 0.56 -1.50 0.02 0.00 -1.18 0.00 0.00 61.69 59.60 1bww s THR 99 Cb -0.42 -1.57 -0.04 0.00 1.34 0.00 0.00 72.50 71.81 1bww s THR 99 CO 0.47 -0.00 0.08 -0.36 -0.54 0.00 0.00 174.62 174.26 1bww s PHE 100 N -1.09 3.20 0.99 3.99 0.40 -1.26 -1.33 117.98 122.88 1bww s PHE 100 Ca 0.07 0.10 -0.12 0.00 -0.60 0.00 0.00 56.93 56.37 1bww s PHE 100 Cb -0.10 -1.64 0.18 0.00 0.51 0.00 0.00 43.02 41.98 1bww s PHE 100 CO 0.04 0.52 1.10 0.20 0.70 0.00 0.00 175.22 177.78 1bww s GLY 101 N -2.28 1.57 0.18 4.36 0.00 -0.25 -4.63 107.32 106.27 1bww s GLY 101 Ca 0.28 -0.40 0.23 0.00 0.00 0.00 0.00 44.72 44.83 1bww s GLY 101 CO 0.21 0.21 1.70 0.61 0.00 0.00 0.00 173.10 175.83 1bww n GLN 102 N -4.12 0.16 0.00 2.90 0.00 -1.26 -4.77 117.38 110.29 1bww n GLN 102 Ca 0.05 0.31 0.00 0.00 0.00 0.00 0.00 57.00 57.36 1bww n GLN 102 Cb 0.58 -1.76 0.00 0.00 0.00 0.00 0.00 30.24 29.06 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 0.44 2.20 3.02 2.61 0.00 -1.26 -5.02 105.19 107.17 1bww n GLY 103 Ca 0.04 -1.73 -0.31 0.00 0.00 0.00 0.00 46.02 44.01 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 -1.96 1.75 -0.14 2.61 2.01 -0.64 -4.58 115.64 114.69 1bww s THR 104 Ca 0.00 -1.08 -0.25 0.00 0.31 0.00 0.00 61.69 60.67 1bww s THR 104 Cb 0.00 -1.80 -0.02 0.00 0.01 0.00 0.00 72.50 70.69 1bww s THR 104 CO 0.00 0.18 0.82 -0.54 -0.69 0.00 0.00 174.62 174.39 1bww s LYS 105 N 1.35 4.34 -0.18 4.92 1.02 -0.74 -1.33 119.74 129.12 1bww s LYS 105 Ca -0.02 1.02 -0.06 0.00 0.02 0.00 0.00 55.97 56.93 1bww s LYS 105 Cb -0.16 -3.54 -0.03 0.00 -0.52 0.00 0.00 37.83 33.57 1bww s LYS 105 CO -0.08 -0.23 0.03 -1.17 -0.92 0.00 0.00 175.35 172.98 1bww s LEU 106 N 1.80 3.58 0.08 3.17 0.20 -0.70 -1.53 118.68 125.27 1bww s LEU 106 Ca 0.39 -0.03 0.01 0.00 0.69 0.00 0.00 54.13 55.18 1bww s LEU 106 Cb -0.17 -1.90 -0.04 0.00 -0.43 0.00 0.00 46.19 43.65 1bww s LEU 106 CO 0.15 0.14 -0.05 -1.58 -0.29 0.00 0.00 176.35 174.72 1bww s GLN 107 N 0.57 0.76 -0.13 1.98 2.00 -0.72 -3.70 119.66 120.42 1bww s GLN 107 Ca 0.01 -1.30 -0.07 0.00 -2.00 0.00 0.00 55.36 52.00 1bww s GLN 107 Cb -0.13 -0.03 -0.04 0.00 0.80 0.00 0.00 33.01 33.60 1bww s GLN 107 CO 0.02 -0.07 0.13 0.42 -0.50 0.00 0.00 175.29 175.29 1bww s ILE 108 N -3.75 5.38 -2.00 -2.34 1.09 -1.26 -1.87 121.20 116.45 1bww s ILE 108 Ca 0.11 0.16 0.01 0.00 -1.10 0.00 0.00 60.65 59.83 1bww s ILE 108 Cb 0.06 -3.36 0.03 0.00 -1.06 0.00 0.00 42.46 38.14 1bww s ILE 108 CO -0.06 0.58 0.56 0.41 -0.10 0.00 0.00 174.94 176.33