#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bwi s PRO 2 N 0.00 2.73 0.25 2.12 0.04 -1.26 -4.91 135.00 133.96 3bwi s PRO 2 Ca 0.00 1.83 -0.02 0.00 0.04 0.00 0.00 61.00 62.85 3bwi s PRO 2 Cb 0.00 -1.90 0.30 0.00 0.04 0.00 0.00 34.50 32.95 3bwi s PRO 2 CO 0.00 -1.40 1.73 0.35 0.04 0.00 0.00 177.00 177.72 3bwi h PHE 3 N 0.55 0.84 -3.62 0.56 3.57 -1.92 -3.37 116.94 113.54 3bwi h PHE 3 Ca -0.50 -0.14 -0.69 0.00 3.53 0.00 0.00 57.97 60.17 3bwi h PHE 3 Cb 1.30 -0.22 -0.32 0.00 2.79 0.00 0.00 35.95 39.50 3bwi h PHE 3 CO 0.46 0.81 -0.60 0.08 -2.23 0.00 0.00 178.31 176.83 3bwi s VAL 4 N -4.87 3.41 -0.30 1.41 1.01 -1.26 -4.70 120.40 115.10 3bwi s VAL 4 Ca -0.09 -1.54 0.26 0.00 0.00 0.00 0.00 61.98 60.61 3bwi s VAL 4 Cb 0.14 -3.09 0.28 0.00 0.00 0.00 0.00 36.38 33.71 3bwi s VAL 4 CO 0.82 -0.35 1.77 0.78 0.00 0.00 0.00 175.10 178.12 3bwi h ASN 5 N 8.11 0.00 -4.31 3.32 2.35 -1.77 -3.44 115.58 119.85 3bwi h ASN 5 Ca -0.19 0.00 -0.54 0.00 -0.55 0.00 0.00 56.30 55.02 3bwi h ASN 5 Cb 1.06 0.00 -0.29 0.00 0.05 0.00 0.00 38.32 39.15 3bwi h ASN 5 CO 0.63 0.00 -0.83 -0.54 -1.65 0.00 0.00 177.43 175.03 3bwi s LYS 6 N -3.44 1.38 -1.21 0.81 1.02 -1.26 -5.06 119.74 111.98 3bwi s LYS 6 Ca 0.02 -0.65 -0.11 0.00 0.02 0.00 0.00 55.97 55.26 3bwi s LYS 6 Cb 0.09 -1.35 0.19 0.00 -0.52 0.00 0.00 37.83 36.25 3bwi s LYS 6 CO 0.39 0.37 1.52 1.04 -0.92 0.00 0.00 175.35 177.75 3bwi n GLN 7 N 2.57 3.54 -1.60 1.68 1.13 -1.26 -5.01 117.38 118.43 3bwi n GLN 7 Ca -0.15 -3.89 -0.39 0.00 -1.94 0.00 0.00 57.00 50.63 3bwi n GLN 7 Cb 0.54 -2.91 0.04 0.00 0.11 0.00 0.00 30.24 28.01 3bwi n GLN 7 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 3bwi n PHE 8 N 4.48 0.80 -5.16 1.08 3.72 -1.26 -5.02 117.46 116.10 3bwi n PHE 8 Ca 0.35 0.48 -0.29 0.00 -0.05 0.00 0.00 57.45 57.94 3bwi n PHE 8 Cb 0.40 -2.16 -0.16 0.00 -0.94 0.00 0.00 39.48 36.62 3bwi n PHE 8 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 3bwi s ASN 9 N -1.04 2.76 0.39 4.37 0.01 -1.26 -4.80 114.94 115.38 3bwi s ASN 9 Ca 0.70 -0.43 0.11 0.00 -0.71 0.00 0.00 52.86 52.52 3bwi s ASN 9 Cb -0.47 -0.43 0.90 0.00 0.41 0.00 0.00 41.25 41.65 3bwi s ASN 9 CO 0.52 0.27 1.95 0.22 -1.51 0.00 0.00 177.10 178.54 3bwi h TYR 10 N 5.71 0.62 -0.02 2.20 3.20 -1.88 -1.46 116.97 125.33 3bwi h TYR 10 Ca -0.39 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.50 3bwi h TYR 10 Cb 1.14 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 39.21 3bwi h TYR 10 CO 0.40 0.29 0.00 1.63 -1.64 0.00 0.00 178.16 178.84 3bwi n LYS 11 N -4.49 1.26 -1.72 1.82 5.02 -1.26 -4.89 118.16 113.90 3bwi n LYS 11 Ca 0.12 -0.38 -0.43 0.00 -2.02 0.00 0.00 58.31 55.61 3bwi n LYS 11 Cb 0.36 -1.44 -0.01 0.00 -0.02 0.00 0.00 35.03 33.92 3bwi n LYS 11 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3bwi n ASP 12 N -0.50 3.22 -4.77 4.39 8.00 -0.55 -4.89 116.55 121.44 3bwi n ASP 12 Ca 0.20 1.18 -0.40 0.00 0.71 0.00 0.00 54.79 56.48 3bwi n ASP 12 Cb 0.19 -1.52 0.00 0.00 -0.02 0.00 0.00 41.12 39.77 3bwi n ASP 12 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3bwi s PRO 13 N -1.23 3.96 0.48 -0.24 0.04 -1.26 -4.96 135.00 131.80 3bwi s PRO 13 Ca 0.60 2.39 -0.23 0.00 0.04 0.00 0.00 61.00 63.80 3bwi s PRO 13 Cb -0.55 -2.83 -0.07 0.00 0.04 0.00 0.00 34.50 31.09 3bwi s PRO 13 CO 0.56 -0.58 1.28 0.14 0.04 0.00 0.00 177.00 178.44 3bwi s VAL 14 N -1.18 2.54 0.00 -0.36 -7.23 -1.26 -4.92 120.40 108.00 3bwi s VAL 14 Ca 0.56 0.43 0.00 0.00 -1.81 0.00 0.00 61.98 61.16 3bwi s VAL 14 Cb -0.43 -3.23 0.00 0.00 0.56 0.00 0.00 36.38 33.28 3bwi s VAL 14 CO 0.57 0.01 0.35 -0.46 -0.31 0.00 0.00 175.10 175.26 3bwi n ASN 15 N -0.56 0.69 0.00 4.85 0.23 0.92 -5.00 115.26 116.40 3bwi n ASN 15 Ca 0.08 -0.97 0.00 0.00 -0.53 0.00 0.00 54.58 53.15 3bwi n ASN 15 Cb 0.46 0.03 0.00 0.00 -2.08 0.00 0.00 39.78 38.19 3bwi n ASN 15 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3bwi n GLY 16 N 0.03 0.31 0.63 4.83 0.00 -0.73 -4.66 105.19 105.60 3bwi n GLY 16 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3bwi n GLY 16 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3bwi n VAL 17 N -2.45 0.00 0.37 1.61 0.31 -1.26 -4.71 118.33 112.21 3bwi n VAL 17 Ca 0.00 0.01 0.04 0.00 -0.01 0.00 0.00 64.34 64.39 3bwi n VAL 17 Cb 0.20 -0.85 0.02 0.00 -0.91 0.00 0.00 33.84 32.29 3bwi n VAL 17 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 3bwi n ASP 18 N -2.00 1.46 -3.72 4.52 5.75 -1.26 -4.82 116.55 116.48 3bwi n ASP 18 Ca 0.00 -1.23 -0.28 0.00 -0.01 0.00 0.00 54.79 53.27 3bwi n ASP 18 Cb 0.00 0.21 -0.16 0.00 -1.03 0.00 0.00 41.12 40.14 3bwi n ASP 18 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 3bwi s ILE 19 N -0.95 0.52 0.24 2.12 1.01 -1.26 -0.28 121.20 122.59 3bwi s ILE 19 Ca 0.09 -0.68 -0.21 0.00 0.00 0.00 0.00 60.65 59.85 3bwi s ILE 19 Cb 0.07 -1.11 0.03 0.00 0.01 0.00 0.00 42.46 41.47 3bwi s ILE 19 CO 0.16 -0.31 0.66 0.00 0.00 0.00 0.00 174.94 175.45 3bwi s ALA 20 N 1.85 -1.26 -0.09 9.38 0.00 -0.76 -0.05 121.76 130.82 3bwi s ALA 20 Ca 0.01 -0.09 -0.20 0.00 0.00 0.00 0.00 51.96 51.68 3bwi s ALA 20 Cb -0.17 0.87 -0.04 0.00 0.00 0.00 0.00 23.12 23.78 3bwi s ALA 20 CO -0.12 -0.93 0.54 0.71 0.00 0.00 0.00 175.76 175.96 3bwi s TYR 21 N -3.87 3.55 0.26 0.00 2.02 -1.26 -0.14 117.35 117.91 3bwi s TYR 21 Ca 0.08 1.01 0.02 0.00 -0.37 0.00 0.00 57.07 57.81 3bwi s TYR 21 Cb -0.04 -2.62 -0.05 0.00 -0.40 0.00 0.00 41.96 38.85 3bwi s TYR 21 CO 0.00 0.17 0.09 0.96 -1.57 0.00 0.00 175.55 175.20 3bwi s ILE 22 N 0.57 0.64 -0.00 2.71 -4.36 -0.18 -1.32 121.20 119.26 3bwi s ILE 22 Ca 0.29 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 58.71 3bwi s ILE 22 Cb -0.16 -2.64 -0.01 0.00 1.25 0.00 0.00 42.46 40.90 3bwi s ILE 22 CO 0.13 -0.01 -0.10 -0.54 0.24 0.00 0.00 174.94 174.66 3bwi s LYS 23 N -4.01 0.76 0.10 0.37 1.02 -0.30 -1.59 119.74 116.08 3bwi s LYS 23 Ca 0.37 -0.37 0.02 0.00 0.02 0.00 0.00 55.97 56.01 3bwi s LYS 23 Cb 0.08 -0.73 -0.04 0.00 -0.52 0.00 0.00 37.83 36.62 3bwi s LYS 23 CO 0.14 0.20 0.17 0.96 -0.92 0.00 0.00 175.35 175.89 3bwi s ILE 24 N -0.30 4.95 -1.19 2.17 -4.36 -1.26 -1.18 121.20 120.03 3bwi s ILE 24 Ca 0.03 -0.67 -0.09 0.00 -0.26 0.00 0.00 60.65 59.66 3bwi s ILE 24 Cb -0.04 -3.44 -0.07 0.00 1.25 0.00 0.00 42.46 40.16 3bwi s ILE 24 CO -0.00 0.06 2.40 -0.81 0.24 0.00 0.00 174.94 176.83 3bwi n PRO 25 N 0.12 2.66 -0.05 0.37 -0.04 -1.26 -4.61 135.00 132.19 3bwi n PRO 25 Ca -0.07 -1.83 0.01 0.00 -0.04 0.00 0.00 63.50 61.57 3bwi n PRO 25 Cb 0.52 -2.67 0.04 0.00 -0.04 0.00 0.00 33.50 31.35 3bwi n PRO 25 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 3bwi n ASN 26 N 4.41 0.55 -1.34 3.54 0.23 -1.26 -4.85 115.26 116.53 3bwi n ASN 26 Ca 0.58 -2.01 -0.18 0.00 -0.53 0.00 0.00 54.58 52.44 3bwi n ASN 26 Cb 0.21 -0.08 -0.08 0.00 -2.08 0.00 0.00 39.78 37.75 3bwi n ASN 26 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3bwi n ALA 27 N -0.21 -0.27 -3.48 -2.53 0.00 -1.26 -4.92 120.51 107.84 3bwi n ALA 27 Ca 0.03 0.28 -0.08 0.00 0.00 0.00 0.00 53.44 53.68 3bwi n ALA 27 Cb 0.09 -1.82 -0.02 0.00 0.00 0.00 0.00 19.45 17.70 3bwi n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bwi n GLY 28 N -0.80 3.15 3.92 0.00 0.00 -1.26 -5.17 105.19 105.04 3bwi n GLY 28 Ca -0.18 -1.62 -0.30 0.00 0.00 0.00 0.00 46.02 43.92 3bwi n GLY 28 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3bwi s GLN 29 N -2.46 3.47 -0.07 1.61 -1.52 -1.26 -5.02 119.66 114.40 3bwi s GLN 29 Ca 0.15 -0.42 -0.30 0.00 -1.95 0.00 0.00 55.36 52.84 3bwi s GLN 29 Cb 0.00 -2.99 0.10 0.00 -0.22 0.00 0.00 33.01 29.90 3bwi s GLN 29 CO 0.10 0.57 0.84 0.00 -0.25 0.00 0.00 175.29 176.55 3bwi s MET 30 N -2.70 0.84 0.31 2.91 0.23 -1.26 -5.12 119.30 114.51 3bwi s MET 30 Ca 0.36 0.05 -0.27 0.00 -1.03 0.00 0.00 55.69 54.80 3bwi s MET 30 Cb -0.12 0.39 -0.10 0.00 -1.53 0.00 0.00 34.83 33.47 3bwi s MET 30 CO 0.28 -0.29 0.95 -0.65 -2.03 0.00 0.00 175.02 173.27 3bwi s GLN 31 N -1.72 4.63 0.57 3.16 -1.52 -1.26 -4.99 119.66 118.53 3bwi s GLN 31 Ca -0.03 1.38 -0.21 0.00 -1.95 0.00 0.00 55.36 54.55 3bwi s GLN 31 Cb -0.00 -2.90 -0.04 0.00 -0.22 0.00 0.00 33.01 29.85 3bwi s GLN 31 CO 0.01 0.31 1.33 -1.25 -0.25 0.00 0.00 175.29 175.45 3bwi s PRO 32 N -1.88 3.00 0.10 2.91 0.04 -1.26 -4.95 135.00 132.96 3bwi s PRO 32 Ca 0.48 2.17 0.09 0.00 0.04 0.00 0.00 61.00 63.78 3bwi s PRO 32 Cb -0.20 -2.14 -0.04 0.00 0.04 0.00 0.00 34.50 32.15 3bwi s PRO 32 CO 0.26 -1.28 -0.22 0.14 0.04 0.00 0.00 177.00 175.94 3bwi s VAL 33 N -1.34 2.58 0.04 -0.36 -7.23 -0.62 -4.83 120.40 108.64 3bwi s VAL 33 Ca 0.74 -1.54 -0.30 0.00 -1.81 0.00 0.00 61.98 59.07 3bwi s VAL 33 Cb -0.39 -2.14 -0.05 0.00 0.56 0.00 0.00 36.38 34.35 3bwi s VAL 33 CO 0.45 0.15 1.21 -0.75 -0.31 0.00 0.00 175.10 175.85 3bwi s LYS 34 N -1.94 4.42 0.13 4.82 2.20 -1.26 -1.01 119.74 127.10 3bwi s LYS 34 Ca 0.16 1.77 0.04 0.00 -0.36 0.00 0.00 55.97 57.57 3bwi s LYS 34 Cb -0.10 -3.38 -0.04 0.00 -1.51 0.00 0.00 37.83 32.79 3bwi s LYS 34 CO 0.07 -0.29 -0.10 0.00 -0.36 0.00 0.00 175.35 174.67 3bwi s ALA 35 N 1.26 1.37 -0.08 3.13 0.00 0.80 -4.31 121.76 123.93 3bwi s ALA 35 Ca 0.59 -1.42 0.01 0.00 0.00 0.00 0.00 51.96 51.14 3bwi s ALA 35 Cb -0.29 0.04 0.02 0.00 0.00 0.00 0.00 23.12 22.89 3bwi s ALA 35 CO 0.28 -0.08 -0.11 -0.06 0.00 0.00 0.00 175.76 175.79 3bwi s PHE 36 N -3.11 1.44 -0.53 0.00 0.08 -0.38 -1.83 117.98 113.65 3bwi s PHE 36 Ca 0.14 -0.58 -0.21 0.00 0.12 0.00 0.00 56.93 56.40 3bwi s PHE 36 Cb 0.01 -1.10 0.05 0.00 -0.57 0.00 0.00 43.02 41.42 3bwi s PHE 36 CO 0.00 -0.34 0.74 0.21 -0.10 0.00 0.00 175.22 175.74 3bwi s LYS 37 N 0.95 3.20 0.07 0.44 2.20 0.61 -0.21 119.74 127.00 3bwi s LYS 37 Ca -0.09 -0.67 0.25 0.00 -0.36 0.00 0.00 55.97 55.10 3bwi s LYS 37 Cb -0.15 -4.09 0.43 0.00 -1.51 0.00 0.00 37.83 32.52 3bwi s LYS 37 CO 0.00 -1.33 1.37 0.44 -0.36 0.00 0.00 175.35 175.48 3bwi n ILE 38 N 5.83 0.22 -3.55 5.43 -5.35 -0.77 -4.90 119.36 116.27 3bwi n ILE 38 Ca -0.04 -0.17 -0.07 0.00 -0.27 0.00 0.00 62.75 62.20 3bwi n ILE 38 Cb 0.46 -0.02 -0.02 0.00 -1.74 0.00 0.00 39.64 38.33 3bwi n ILE 38 CO 0.00 0.00 0.00 -2.28 -1.76 0.00 0.00 176.55 172.51 3bwi s HIS 39 N -3.11 -0.30 0.04 4.28 5.04 -1.21 -4.36 115.29 115.68 3bwi s HIS 39 Ca 0.08 0.13 -0.36 0.00 -1.54 0.00 0.00 55.06 53.38 3bwi s HIS 39 Cb 0.15 0.56 -0.15 0.00 0.04 0.00 0.00 32.58 33.18 3bwi s HIS 39 CO 0.71 -0.59 1.54 -1.71 -2.34 0.00 0.00 174.74 172.35 3bwi n ASN 40 N -0.29 2.47 0.00 9.88 5.15 -1.26 -1.19 115.26 130.02 3bwi n ASN 40 Ca -0.08 1.08 0.00 0.00 -0.60 0.00 0.00 54.58 54.98 3bwi n ASN 40 Cb 0.62 -1.29 0.00 0.00 -0.53 0.00 0.00 39.78 38.58 3bwi n ASN 40 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 3bwi n LYS 41 N 3.72 -0.34 -4.15 1.20 4.76 -1.26 -4.91 118.16 117.17 3bwi n LYS 41 Ca 0.19 0.09 -0.27 0.00 -2.87 0.00 0.00 58.31 55.45 3bwi n LYS 41 Cb 0.23 -3.53 -0.17 0.00 -1.84 0.00 0.00 35.03 29.72 3bwi n LYS 41 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3bwi s ILE 42 N -2.28 1.23 0.21 -0.18 1.01 -0.33 -1.20 121.20 119.65 3bwi s ILE 42 Ca 0.00 -0.45 0.11 0.00 0.00 0.00 0.00 60.65 60.31 3bwi s ILE 42 Cb 0.00 -1.18 -0.04 0.00 0.01 0.00 0.00 42.46 41.24 3bwi s ILE 42 CO 0.00 0.40 -0.19 0.26 0.00 0.00 0.00 174.94 175.41 3bwi s TRP 43 N 1.34 2.40 -0.09 3.97 0.52 -0.22 -1.84 118.94 125.02 3bwi s TRP 43 Ca -0.01 -0.32 0.02 0.00 0.02 0.00 0.00 56.10 55.82 3bwi s TRP 43 Cb -0.14 -1.16 0.01 0.00 -1.15 0.00 0.00 33.47 31.04 3bwi s TRP 43 CO -0.05 0.54 -0.16 0.08 0.02 0.00 0.00 176.95 177.38 3bwi s VAL 44 N -1.83 1.44 -0.34 4.03 1.01 0.70 -1.04 120.40 124.38 3bwi s VAL 44 Ca 0.24 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 61.58 3bwi s VAL 44 Cb -0.08 -1.30 0.09 0.00 0.00 0.00 0.00 36.38 35.09 3bwi s VAL 44 CO 0.12 0.42 0.06 -0.63 0.00 0.00 0.00 175.10 175.08 3bwi s ILE 45 N 0.72 2.72 -0.90 2.22 1.01 0.28 -1.25 121.20 126.00 3bwi s ILE 45 Ca -0.13 -1.96 -0.06 0.00 0.00 0.00 0.00 60.65 58.50 3bwi s ILE 45 Cb -0.16 -2.81 -0.07 0.00 0.01 0.00 0.00 42.46 39.43 3bwi s ILE 45 CO 0.03 -0.45 2.29 -2.65 0.00 0.00 0.00 174.94 174.16 3bwi n PRO 46 N 4.46 2.22 -4.04 2.79 -0.02 -1.26 -3.48 135.00 135.67 3bwi n PRO 46 Ca -0.04 -1.46 -0.09 0.00 -2.02 0.00 0.00 63.50 59.89 3bwi n PRO 46 Cb 0.42 -2.42 -0.11 0.00 -0.02 0.00 0.00 33.50 31.37 3bwi n PRO 46 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3bwi s GLU 47 N 3.00 0.47 0.36 -0.52 0.41 -1.26 -4.82 118.70 116.34 3bwi s GLU 47 Ca 0.44 -0.84 -0.27 0.00 -0.41 0.00 0.00 54.97 53.89 3bwi s GLU 47 Cb 0.13 0.03 -0.09 0.00 -1.78 0.00 0.00 34.13 32.41 3bwi s GLU 47 CO -0.03 -0.04 1.27 1.03 -0.49 0.00 0.00 175.26 177.00 3bwi s ARG 48 N -2.26 4.19 -0.91 1.61 1.81 -1.26 -0.34 118.95 121.80 3bwi s ARG 48 Ca -0.07 2.11 -0.24 0.00 -1.72 0.00 0.00 55.73 55.81 3bwi s ARG 48 Cb -0.05 -2.91 0.05 0.00 -0.45 0.00 0.00 34.95 31.59 3bwi s ARG 48 CO -0.03 -0.29 1.36 0.34 -0.68 0.00 0.00 175.30 176.00 3bwi s ASP 49 N -0.70 6.38 -0.12 0.23 2.15 -0.80 -4.67 116.67 119.14 3bwi s ASP 49 Ca 0.53 -1.11 0.15 0.00 0.43 0.00 0.00 52.55 52.54 3bwi s ASP 49 Cb -0.37 -2.55 0.39 0.00 -0.30 0.00 0.00 42.92 40.08 3bwi s ASP 49 CO 0.48 -1.60 1.29 0.35 -0.17 0.00 0.00 175.17 175.52 3bwi n THR 50 N 6.62 1.87 -0.06 1.71 -2.24 -1.26 -4.28 114.28 116.64 3bwi n THR 50 Ca 0.21 -1.76 -0.11 0.00 -2.27 0.00 0.00 64.05 60.13 3bwi n THR 50 Cb 0.50 -0.06 -0.05 0.00 -2.10 0.00 0.00 70.33 68.62 3bwi n THR 50 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3bwi n PHE 51 N -0.57 0.00 0.26 4.78 3.72 -1.26 -4.59 117.46 119.80 3bwi n PHE 51 Ca 0.17 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.67 3bwi n PHE 51 Cb 0.70 -0.45 0.69 0.00 -0.94 0.00 0.00 39.48 39.48 3bwi n PHE 51 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 3bwi h THR 52 N -0.20 0.73 -3.47 4.37 1.35 -1.95 -3.39 112.91 110.35 3bwi h THR 52 Ca -0.29 -0.46 -0.57 0.00 -0.55 0.00 0.00 66.41 64.54 3bwi h THR 52 Cb 1.35 1.28 -0.39 0.00 -1.73 0.00 0.00 68.15 68.66 3bwi h THR 52 CO -0.11 0.11 -0.78 0.21 -0.25 0.00 0.00 175.52 174.71 3bwi s ASN 53 N -6.41 3.40 0.55 5.36 3.84 -1.26 -4.98 114.94 115.43 3bwi s ASN 53 Ca -0.04 -1.00 0.23 0.00 0.21 0.00 0.00 52.86 52.26 3bwi s ASN 53 Cb 0.14 -0.93 1.46 0.00 -0.55 0.00 0.00 41.25 41.38 3bwi s ASN 53 CO 0.61 -0.26 2.13 1.55 -2.79 0.00 0.00 177.10 178.34 3bwi h PRO 54 N 8.08 0.00 -0.10 0.43 0.13 -1.86 -0.88 132.00 137.80 3bwi h PRO 54 Ca -0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 3bwi h PRO 54 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 3bwi h PRO 54 CO 0.38 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.54 3bwi n GLU 55 N -4.25 1.30 -2.93 0.86 1.02 -1.26 -3.96 120.64 111.41 3bwi n GLU 55 Ca 0.00 -0.45 -0.19 0.00 -0.02 0.00 0.00 57.16 56.50 3bwi n GLU 55 Cb 0.24 -1.22 -0.02 0.00 -0.02 0.00 0.00 31.44 30.42 3bwi n GLU 55 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3bwi n GLU 56 N -0.24 1.86 0.00 3.49 1.02 -0.34 -4.84 120.64 121.59 3bwi n GLU 56 Ca 0.10 -3.85 0.08 0.00 -0.02 0.00 0.00 57.16 53.48 3bwi n GLU 56 Cb 0.14 -1.80 -0.06 0.00 -0.02 0.00 0.00 31.44 29.70 3bwi n GLU 56 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3bwi n GLY 57 N -0.01 -0.36 3.58 0.62 0.00 -1.25 -4.41 105.19 103.35 3bwi n GLY 57 Ca 0.25 -0.50 -0.39 0.00 0.00 0.00 0.00 46.02 45.37 3bwi n GLY 57 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3bwi s ASP 58 N -2.38 6.16 0.08 1.61 3.68 -1.26 -4.93 116.67 119.63 3bwi s ASP 58 Ca 0.10 0.00 0.24 0.00 2.13 0.00 0.00 52.55 55.02 3bwi s ASP 58 Cb 0.14 -2.18 0.36 0.00 -1.45 0.00 0.00 42.92 39.79 3bwi s ASP 58 CO 0.60 -0.20 1.32 0.18 0.13 0.00 0.00 175.17 177.19 3bwi n LEU 59 N 5.26 0.64 -4.75 -1.34 4.77 -1.26 -4.54 117.00 115.77 3bwi n LEU 59 Ca -0.10 0.16 -0.41 0.00 -0.03 0.00 0.00 56.01 55.62 3bwi n LEU 59 Cb 0.51 -0.19 -0.02 0.00 -2.33 0.00 0.00 43.42 41.39 3bwi n LEU 59 CO 0.37 -0.01 1.19 0.20 -1.33 0.00 0.00 177.39 177.82 3bwi s ASN 60 N -3.92 6.44 0.16 -1.43 0.02 -1.26 -4.12 114.94 110.83 3bwi s ASN 60 Ca 0.07 2.90 -0.30 0.00 -1.02 0.00 0.00 52.86 54.51 3bwi s ASN 60 Cb 0.14 -2.64 -0.08 0.00 0.02 0.00 0.00 41.25 38.70 3bwi s ASN 60 CO 0.72 -0.85 1.17 -2.16 0.02 0.00 0.00 177.10 176.01 3bwi s PRO 61 N -0.76 4.51 1.32 -0.60 0.04 -1.26 -5.04 135.00 133.20 3bwi s PRO 61 Ca 0.60 1.82 -0.20 0.00 0.04 0.00 0.00 61.00 63.26 3bwi s PRO 61 Cb -0.46 -3.27 0.33 0.00 0.04 0.00 0.00 34.50 31.14 3bwi s PRO 61 CO 0.49 -0.08 0.99 -2.14 0.04 0.00 0.00 177.00 176.31 3bwi s PRO 62 N -0.04 -2.11 0.65 0.56 0.02 -1.26 -4.91 135.00 127.91 3bwi s PRO 62 Ca 0.53 0.21 -0.18 0.00 0.02 0.00 0.00 61.00 61.59 3bwi s PRO 62 Cb -0.31 -1.47 -0.02 0.00 0.02 0.00 0.00 34.50 32.72 3bwi s PRO 62 CO 0.35 -4.35 1.10 -0.35 -0.33 0.00 0.00 177.00 173.42 3bwi n PRO 63 N -5.27 0.90 -0.05 5.54 -0.04 -1.26 -4.77 135.00 130.05 3bwi n PRO 63 Ca 0.11 0.36 0.24 0.00 -0.04 0.00 0.00 63.50 64.16 3bwi n PRO 63 Cb 0.59 -2.33 0.72 0.00 -0.04 0.00 0.00 33.50 32.43 3bwi n PRO 63 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 3bwi h GLU 64 N 0.35 0.00 -0.19 0.54 4.81 -1.97 0.25 114.58 118.36 3bwi h GLU 64 Ca -0.49 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 3bwi h GLU 64 Cb 1.35 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.73 3bwi h GLU 64 CO 0.51 0.00 0.00 0.00 -0.73 0.00 0.00 179.01 178.79 3bwi n ALA 65 N -2.60 2.51 0.02 2.92 0.00 -1.26 -3.74 120.51 118.36 3bwi n ALA 65 Ca 0.13 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.07 3bwi n ALA 65 Cb 0.76 -1.07 -0.00 0.00 0.00 0.00 0.00 19.45 19.13 3bwi n ALA 65 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3bwi n LYS 66 N 0.26 3.70 -2.93 0.00 4.81 0.85 -5.03 118.16 119.82 3bwi n LYS 66 Ca 0.14 -0.22 -0.33 0.00 -0.87 0.00 0.00 58.31 57.04 3bwi n LYS 66 Cb 0.29 -0.72 -0.07 0.00 0.02 0.00 0.00 35.03 34.55 3bwi n LYS 66 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 3bwi s GLN 67 N -0.64 4.14 0.39 1.64 -0.21 -1.10 -4.93 119.66 118.94 3bwi s GLN 67 Ca 0.00 0.95 -0.03 0.00 0.02 0.00 0.00 55.36 56.30 3bwi s GLN 67 Cb 0.00 -2.27 0.08 0.00 1.00 0.00 0.00 33.01 31.83 3bwi s GLN 67 CO 0.02 0.03 0.53 1.33 -2.12 0.00 0.00 175.29 175.07 3bwi n VAL 68 N -0.57 0.00 0.00 1.09 0.24 -1.26 -5.06 118.33 112.77 3bwi n VAL 68 Ca 0.06 -0.62 0.00 0.00 -2.04 0.00 0.00 64.34 61.73 3bwi n VAL 68 Cb 0.54 -1.40 0.00 0.00 -1.47 0.00 0.00 33.84 31.51 3bwi n VAL 68 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 3bwi n PRO 69 N -2.04 0.00 -2.63 7.34 -0.02 -1.26 -4.45 135.00 131.94 3bwi n PRO 69 Ca 0.08 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.14 3bwi n PRO 69 Cb 0.27 -0.88 -0.03 0.00 -0.02 0.00 0.00 33.50 32.85 3bwi n PRO 69 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3bwi s VAL 70 N -0.76 4.00 0.00 -1.45 1.01 -1.26 -4.91 120.40 117.03 3bwi s VAL 70 Ca 0.00 -0.50 -0.28 0.00 0.00 0.00 0.00 61.98 61.20 3bwi s VAL 70 Cb 0.00 -4.95 0.09 0.00 0.00 0.00 0.00 36.38 31.52 3bwi s VAL 70 CO 0.00 -1.82 0.81 -0.94 0.00 0.00 0.00 175.10 173.15 3bwi s SER 71 N 4.35 -0.45 -0.17 3.32 1.04 -1.26 -5.00 113.70 115.53 3bwi s SER 71 Ca 0.39 0.17 -0.07 0.00 0.48 0.00 0.00 55.95 56.92 3bwi s SER 71 Cb -0.04 0.44 0.07 0.00 0.10 0.00 0.00 66.02 66.59 3bwi s SER 71 CO -0.01 -0.65 0.38 -0.47 0.98 0.00 0.00 173.24 173.46 3bwi s TYR 72 N -2.67 -0.63 0.02 5.02 5.04 -1.26 -5.01 117.35 117.86 3bwi s TYR 72 Ca 0.01 1.29 0.07 0.00 -2.44 0.00 0.00 57.07 56.00 3bwi s TYR 72 Cb -0.01 0.21 -0.03 0.00 0.35 0.00 0.00 41.96 42.49 3bwi s TYR 72 CO -0.06 -0.39 -0.21 0.71 -1.34 0.00 0.00 175.55 174.27 3bwi s TYR 73 N 2.02 2.49 -0.37 4.97 2.02 -1.26 -0.91 117.35 126.31 3bwi s TYR 73 Ca -0.05 -0.31 0.01 0.00 -0.37 0.00 0.00 57.07 56.36 3bwi s TYR 73 Cb -0.11 -1.47 0.18 0.00 -0.40 0.00 0.00 41.96 40.17 3bwi s TYR 73 CO -0.12 0.17 0.78 0.34 -1.57 0.00 0.00 175.55 175.16 3bwi s ASP 74 N -1.19 -1.10 0.66 2.29 2.15 -1.26 -5.02 116.67 113.20 3bwi s ASP 74 Ca 0.13 -0.49 0.38 0.00 0.43 0.00 0.00 52.55 53.00 3bwi s ASP 74 Cb -0.10 1.43 2.07 0.00 -0.30 0.00 0.00 42.92 46.01 3bwi s ASP 74 CO 0.03 -0.13 2.18 0.77 -0.17 0.00 0.00 175.17 177.85 3bwi h SER 75 N 6.54 0.00 0.58 -0.34 4.64 -1.91 -2.10 113.55 120.96 3bwi h SER 75 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3bwi h SER 75 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 3bwi h SER 75 CO 0.04 0.00 -0.61 0.35 -0.87 0.00 0.00 176.83 175.73 3bwi n THR 76 N -3.06 0.12 -1.83 2.95 -2.24 -1.26 -4.91 114.28 104.04 3bwi n THR 76 Ca -0.02 -0.11 -0.42 0.00 -2.27 0.00 0.00 64.05 61.23 3bwi n THR 76 Cb 0.21 0.15 -0.02 0.00 -2.10 0.00 0.00 70.33 68.57 3bwi n THR 76 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3bwi s TYR 77 N -3.07 2.87 -0.99 4.78 5.04 -0.79 -2.72 117.35 122.46 3bwi s TYR 77 Ca 0.09 0.72 -0.06 0.00 -2.44 0.00 0.00 57.07 55.38 3bwi s TYR 77 Cb 0.16 -4.02 0.01 0.00 0.35 0.00 0.00 41.96 38.46 3bwi s TYR 77 CO 0.72 -3.54 0.86 -0.11 -1.34 0.00 0.00 175.55 172.14 3bwi n LEU 78 N 2.76 -3.11 -0.00 6.97 7.94 -1.26 -4.85 117.00 125.44 3bwi n LEU 78 Ca 0.10 -0.41 0.04 0.00 -1.11 0.00 0.00 56.01 54.64 3bwi n LEU 78 Cb 0.38 -2.39 -0.06 0.00 0.53 0.00 0.00 43.42 41.87 3bwi n LEU 78 CO 0.63 0.46 -0.20 -1.54 -1.11 0.00 0.00 177.39 175.62 3bwi n SER 79 N -1.96 1.17 -4.72 1.96 3.41 -1.10 -4.53 113.62 107.85 3bwi n SER 79 Ca -0.02 -0.50 -0.24 0.00 -0.26 0.00 0.00 58.87 57.85 3bwi n SER 79 Cb 0.56 1.13 -0.06 0.00 -0.26 0.00 0.00 64.21 65.58 3bwi n SER 79 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3bwi s THR 80 N -2.11 3.93 0.31 6.66 -4.23 -1.26 -5.03 115.64 113.90 3bwi s THR 80 Ca 0.01 -1.53 -0.01 0.00 -1.18 0.00 0.00 61.69 58.99 3bwi s THR 80 Cb 0.07 -3.06 0.25 0.00 1.34 0.00 0.00 72.50 71.10 3bwi s THR 80 CO 0.38 -0.25 1.96 0.44 -0.54 0.00 0.00 174.62 176.61 3bwi h ASP 81 N 2.10 0.87 -0.71 3.99 3.32 -1.99 -1.41 116.42 122.59 3bwi h ASP 81 Ca -0.47 -0.04 -0.04 0.00 0.02 0.00 0.00 57.03 56.50 3bwi h ASP 81 Cb 1.23 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.53 3bwi h ASP 81 CO 0.60 0.66 0.28 -1.13 -1.72 0.00 0.00 179.24 177.93 3bwi h ASN 82 N 1.01 0.99 -0.44 6.45 -1.24 -1.99 -0.37 115.58 119.99 3bwi h ASN 82 Ca 0.27 -0.18 -0.06 0.00 0.71 0.00 0.00 56.30 57.05 3bwi h ASN 82 Cb -0.06 -0.26 -0.02 0.00 0.73 0.00 0.00 38.32 38.72 3bwi h ASN 82 CO -0.05 0.90 0.06 -0.33 -1.29 0.00 0.00 177.43 176.71 3bwi h GLU 83 N 1.02 0.74 -0.32 6.67 5.08 -1.83 -1.36 114.58 124.58 3bwi h GLU 83 Ca 0.24 -0.21 -0.06 0.00 -1.00 0.00 0.00 59.36 58.33 3bwi h GLU 83 Cb 0.22 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 3bwi h GLU 83 CO -0.02 0.77 -0.07 0.87 -1.00 0.00 0.00 179.01 179.57 3bwi h LYS 84 N 0.60 0.52 -0.31 2.33 1.57 -1.00 0.12 116.57 120.41 3bwi h LYS 84 Ca 0.13 -0.13 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 3bwi h LYS 84 Cb 0.40 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 3bwi h LYS 84 CO 0.01 0.60 -0.02 0.22 -0.57 0.00 0.00 179.45 179.69 3bwi h ASP 85 N 0.49 0.55 -0.08 0.86 3.58 -0.81 -1.03 116.42 119.98 3bwi h ASP 85 Ca 0.10 -0.33 -0.09 0.00 0.42 0.00 0.00 57.03 57.13 3bwi h ASP 85 Cb 0.42 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.31 3bwi h ASP 85 CO 0.02 0.74 -0.21 -1.13 -2.88 0.00 0.00 179.24 175.78 3bwi h ASN 86 N 0.34 0.48 -0.20 2.28 -0.00 -0.85 -1.71 115.58 115.91 3bwi h ASN 86 Ca 0.08 -0.15 -0.02 0.00 -0.00 0.00 0.00 56.30 56.22 3bwi h ASN 86 Cb 0.47 -0.13 -0.01 0.00 -0.00 0.00 0.00 38.32 38.65 3bwi h ASN 86 CO 0.02 0.70 0.07 0.22 -0.00 0.00 0.00 177.43 178.44 3bwi h TYR 87 N 0.43 0.32 -0.21 0.67 3.20 -0.56 0.34 116.97 121.17 3bwi h TYR 87 Ca 0.07 -0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.91 3bwi h TYR 87 Cb 0.62 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.78 3bwi h TYR 87 CO 0.02 0.39 0.12 1.25 -1.64 0.00 0.00 178.16 178.31 3bwi h LEU 88 N 0.16 0.21 -0.89 2.82 5.85 -0.94 -0.58 115.31 121.94 3bwi h LEU 88 Ca 0.07 -0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.69 3bwi h LEU 88 Cb 0.22 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 3bwi h LEU 88 CO -0.00 0.15 -0.17 0.11 -0.34 0.00 0.00 178.44 178.19 3bwi h LYS 89 N 0.26 0.64 -0.29 1.25 1.57 -1.24 -1.57 116.57 117.19 3bwi h LYS 89 Ca 0.08 -0.22 -0.07 0.00 -1.87 0.00 0.00 60.65 58.57 3bwi h LYS 89 Cb -0.01 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 3bwi h LYS 89 CO -0.03 0.77 -0.11 0.78 -0.57 0.00 0.00 179.45 180.29 3bwi h GLY 90 N 0.98 0.63 0.99 3.86 0.00 -0.61 -1.76 103.07 107.17 3bwi h GLY 90 Ca 0.09 -0.54 -0.07 0.00 0.00 0.00 0.00 47.33 46.81 3bwi h GLY 90 CO 0.04 0.50 0.05 -2.08 0.00 0.00 0.00 176.54 175.04 3bwi h VAL 91 N 0.33 1.26 -0.50 4.60 2.07 -1.02 -2.00 116.25 120.99 3bwi h VAL 91 Ca 0.07 -0.99 -0.06 0.00 0.82 0.00 0.00 66.70 66.54 3bwi h VAL 91 Cb 0.61 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 3bwi h VAL 91 CO 0.04 0.35 0.07 0.71 0.02 0.00 0.00 177.57 178.75 3bwi h THR 92 N 0.71 1.23 -0.69 2.57 1.35 -1.26 -1.84 112.91 114.97 3bwi h THR 92 Ca 0.15 -0.89 -0.04 0.00 -0.55 0.00 0.00 66.41 65.07 3bwi h THR 92 Cb 0.45 0.78 -0.03 0.00 -1.73 0.00 0.00 68.15 67.62 3bwi h THR 92 CO 0.02 0.32 0.26 0.50 -0.25 0.00 0.00 175.52 176.37 3bwi h LYS 93 N 0.75 1.04 -0.13 4.72 3.64 -1.07 -1.25 116.57 124.27 3bwi h LYS 93 Ca 0.16 -0.20 -0.10 0.00 -1.27 0.00 0.00 60.65 59.24 3bwi h LYS 93 Cb 0.36 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 3bwi h LYS 93 CO 0.01 0.88 -0.36 -0.07 -2.27 0.00 0.00 179.45 177.64 3bwi h LEU 94 N 0.99 0.28 -0.71 5.20 3.38 -0.99 -0.85 115.31 122.61 3bwi h LEU 94 Ca 0.23 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.99 3bwi h LEU 94 Cb 0.23 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3bwi h LEU 94 CO -0.02 0.63 -0.06 -0.26 0.09 0.00 0.00 178.44 178.82 3bwi h PHE 95 N 0.24 1.03 -0.57 1.13 -1.00 -0.83 -0.86 116.94 116.08 3bwi h PHE 95 Ca 0.03 -0.18 -0.09 0.00 2.81 0.00 0.00 57.97 60.54 3bwi h PHE 95 Cb 0.75 -0.27 -0.02 0.00 3.61 0.00 0.00 35.95 40.02 3bwi h PHE 95 CO 0.01 0.95 0.01 0.93 -1.61 0.00 0.00 178.31 178.61 3bwi h GLU 96 N 0.85 0.99 -0.50 1.51 4.39 -0.72 0.12 114.58 121.23 3bwi h GLU 96 Ca 0.15 -0.31 -0.03 0.00 0.34 0.00 0.00 59.36 59.51 3bwi h GLU 96 Cb 0.58 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.12 3bwi h GLU 96 CO 0.04 0.99 0.20 -0.09 -1.16 0.00 0.00 179.01 178.98 3bwi h ARG 97 N 0.88 0.74 -0.23 2.33 2.43 -0.94 -0.23 114.38 119.35 3bwi h ARG 97 Ca 0.16 -0.13 -0.02 0.00 -0.81 0.00 0.00 59.98 59.18 3bwi h ARG 97 Cb 0.53 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.95 3bwi h ARG 97 CO 0.03 0.65 0.06 0.82 -1.51 0.00 0.00 179.97 180.02 3bwi h ILE 98 N 0.66 1.20 0.00 1.20 2.04 -0.98 -2.94 117.51 118.69 3bwi h ILE 98 Ca 0.17 -0.64 -0.02 0.00 1.00 0.00 0.00 64.86 65.36 3bwi h ILE 98 Cb 0.19 1.19 -0.00 0.00 -0.74 0.00 0.00 36.82 37.45 3bwi h ILE 98 CO -0.01 0.21 -0.11 0.22 0.00 0.00 0.00 178.15 178.45 3bwi h TYR 99 N 0.20 0.00 0.00 1.37 3.20 -0.49 -2.63 116.97 118.62 3bwi h TYR 99 Ca 0.07 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.94 3bwi h TYR 99 Cb 0.25 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.52 3bwi h TYR 99 CO 0.01 0.11 0.00 -1.13 -1.64 0.00 0.00 178.16 175.51 3bwi n SER 100 N -4.02 0.46 -4.89 -2.11 3.41 -0.12 -3.96 113.62 102.38 3bwi n SER 100 Ca -0.02 0.62 -0.30 0.00 -0.26 0.00 0.00 58.87 58.91 3bwi n SER 100 Cb 0.20 -0.72 -0.04 0.00 -0.26 0.00 0.00 64.21 63.39 3bwi n SER 100 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3bwi s THR 101 N -3.24 5.16 0.28 6.66 -4.23 -0.99 -5.00 115.64 114.27 3bwi s THR 101 Ca 0.04 -0.54 -0.03 0.00 -1.18 0.00 0.00 61.69 59.98 3bwi s THR 101 Cb 0.09 -3.54 0.22 0.00 1.34 0.00 0.00 72.50 70.61 3bwi s THR 101 CO 0.33 0.10 1.90 0.44 -0.54 0.00 0.00 174.62 176.84 3bwi h ASP 102 N 2.97 0.95 -0.46 3.99 3.32 -1.86 -0.79 116.42 124.54 3bwi h ASP 102 Ca -0.46 -0.08 -0.04 0.00 0.02 0.00 0.00 57.03 56.47 3bwi h ASP 102 Cb 1.17 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.46 3bwi h ASP 102 CO 0.72 0.76 0.12 0.25 -1.72 0.00 0.00 179.24 179.38 3bwi h LEU 103 N 1.07 0.69 -0.72 1.55 5.85 -1.94 -0.75 115.31 121.06 3bwi h LEU 103 Ca 0.27 -0.22 -0.07 0.00 0.84 0.00 0.00 57.88 58.69 3bwi h LEU 103 Cb 0.02 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.84 3bwi h LEU 103 CO -0.04 0.73 0.14 1.23 -0.34 0.00 0.00 178.44 180.16 3bwi h GLY 104 N 0.61 1.20 1.21 3.75 0.00 -1.51 0.04 103.07 108.38 3bwi h GLY 104 Ca 0.15 -0.77 -0.05 0.00 0.00 0.00 0.00 47.33 46.66 3bwi h GLY 104 CO -0.00 0.72 0.21 -0.09 0.00 0.00 0.00 176.54 177.38 3bwi h ARG 105 N 1.05 0.99 -0.12 4.80 2.43 -0.94 0.71 114.38 123.30 3bwi h ARG 105 Ca 0.21 -0.19 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 3bwi h ARG 105 Cb 0.40 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.79 3bwi h ARG 105 CO 0.01 0.84 -0.01 0.52 -1.51 0.00 0.00 179.97 179.82 3bwi h MET 106 N 0.96 0.23 -0.29 0.20 2.86 -0.69 -1.35 114.93 116.85 3bwi h MET 106 Ca 0.21 -0.08 -0.00 0.00 -2.06 0.00 0.00 59.70 57.77 3bwi h MET 106 Cb 0.26 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 3bwi h MET 106 CO -0.01 0.50 0.17 1.25 1.06 0.00 0.00 176.91 179.88 3bwi h LEU 107 N -0.06 0.35 -1.10 1.22 5.85 -0.71 -0.92 115.31 119.94 3bwi h LEU 107 Ca 0.03 -0.06 -0.07 0.00 0.84 0.00 0.00 57.88 58.62 3bwi h LEU 107 Cb 0.40 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 3bwi h LEU 107 CO 0.01 0.31 -0.10 -0.07 -0.34 0.00 0.00 178.44 178.25 3bwi h LEU 108 N 0.37 0.50 -0.34 2.25 3.38 -0.87 -0.40 115.31 120.19 3bwi h LEU 108 Ca 0.10 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 3bwi h LEU 108 Cb 0.03 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3bwi h LEU 108 CO -0.02 0.64 -0.01 0.74 0.09 0.00 0.00 178.44 179.88 3bwi h THR 109 N 0.48 1.26 -0.74 0.22 2.02 -0.97 -1.54 112.91 113.65 3bwi h THR 109 Ca 0.09 -0.99 -0.00 0.00 0.77 0.00 0.00 66.41 66.28 3bwi h THR 109 Cb 0.46 1.23 -0.04 0.00 -1.74 0.00 0.00 68.15 68.07 3bwi h THR 109 CO 0.03 0.32 0.45 0.28 0.37 0.00 0.00 175.52 176.97 3bwi h SER 110 N 0.41 0.88 -0.47 4.18 0.02 -0.70 -1.86 113.55 116.01 3bwi h SER 110 Ca 0.10 -0.05 -0.10 0.00 -0.84 0.00 0.00 61.79 60.90 3bwi h SER 110 Cb 0.47 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 3bwi h SER 110 CO 0.02 0.67 -0.10 0.40 -1.14 0.00 0.00 176.83 176.69 3bwi h ILE 111 N 1.02 1.27 -0.22 3.27 2.04 -0.74 -1.52 117.51 122.63 3bwi h ILE 111 Ca 0.27 -1.22 -0.09 0.00 1.00 0.00 0.00 64.86 64.82 3bwi h ILE 111 Cb -0.05 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 3bwi h ILE 111 CO -0.05 0.42 -0.26 0.58 0.00 0.00 0.00 178.15 178.84 3bwi h VAL 112 N 0.74 1.26 0.00 1.67 2.07 -0.92 -2.60 116.25 118.47 3bwi h VAL 112 Ca 0.12 -1.25 0.00 0.00 0.82 0.00 0.00 66.70 66.39 3bwi h VAL 112 Cb 0.64 1.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.79 3bwi h VAL 112 CO 0.04 0.39 0.00 0.03 0.02 0.00 0.00 177.57 178.06 3bwi h ARG 113 N 0.37 0.00 -2.11 1.57 3.08 -1.21 -3.37 114.38 112.71 3bwi h ARG 113 Ca 0.06 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.97 3bwi h ARG 113 Cb 0.66 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.65 3bwi h ARG 113 CO 0.05 0.00 -0.23 0.41 -1.07 0.00 0.00 179.97 179.13 3bwi n GLY 114 N 0.94 2.66 3.70 0.04 0.00 -0.58 -4.63 105.19 107.31 3bwi n GLY 114 Ca 0.04 -0.87 -0.44 0.00 0.00 0.00 0.00 46.02 44.75 3bwi n GLY 114 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3bwi n ILE 115 N 2.39 0.03 -1.69 -0.61 5.41 -1.26 -4.74 119.36 118.89 3bwi n ILE 115 Ca 0.31 -0.01 -0.44 0.00 1.00 0.00 0.00 62.75 63.61 3bwi n ILE 115 Cb 0.74 -1.81 -0.03 0.00 -0.71 0.00 0.00 39.64 37.83 3bwi n ILE 115 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 3bwi n PRO 116 N 3.89 2.22 -1.81 0.38 -0.02 -1.26 -4.90 135.00 133.50 3bwi n PRO 116 Ca 0.17 0.79 -0.39 0.00 -2.02 0.00 0.00 63.50 62.05 3bwi n PRO 116 Cb 0.32 -2.49 0.03 0.00 -0.02 0.00 0.00 33.50 31.34 3bwi n PRO 116 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3bwi s PHE 117 N 0.07 2.35 -1.31 6.00 5.36 -0.58 -4.92 117.98 124.96 3bwi s PHE 117 Ca 0.68 1.36 -0.13 0.00 -0.96 0.00 0.00 56.93 57.88 3bwi s PHE 117 Cb -0.61 -3.81 0.12 0.00 -0.34 0.00 0.00 43.02 38.38 3bwi s PHE 117 CO 0.48 -2.84 1.84 0.91 -1.46 0.00 0.00 175.22 174.14 3bwi n TRP 118 N -0.81 3.85 -1.75 10.12 7.02 -1.26 -4.61 117.44 130.00 3bwi n TRP 118 Ca 0.09 -2.98 -0.08 0.00 -1.02 0.00 0.00 57.50 53.51 3bwi n TRP 118 Cb 0.44 -2.26 0.13 0.00 -2.42 0.00 0.00 31.31 27.20 3bwi n TRP 118 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3bwi n GLY 119 N 3.84 5.66 0.11 6.99 0.00 -1.09 -2.99 105.19 117.71 3bwi n GLY 119 Ca 0.44 -1.88 0.12 0.00 0.00 0.00 0.00 46.02 44.69 3bwi n GLY 119 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3bwi h GLY 120 N 1.51 0.00 -1.71 -0.02 0.00 -1.12 -3.47 103.07 98.26 3bwi h GLY 120 Ca 0.19 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 47.04 3bwi h GLY 120 CO 0.40 0.00 0.38 -1.35 0.00 0.00 0.00 176.54 175.96 3bwi s SER 121 N -4.87 6.07 0.00 0.19 1.04 -1.26 -4.96 113.70 109.92 3bwi s SER 121 Ca 0.06 1.71 0.24 0.00 0.48 0.00 0.00 55.95 58.44 3bwi s SER 121 Cb 0.11 -2.52 0.27 0.00 0.10 0.00 0.00 66.02 63.97 3bwi s SER 121 CO 0.69 -0.97 1.25 1.07 0.98 0.00 0.00 173.24 176.26 3bwi n THR 122 N -1.93 0.00 -3.51 2.02 5.66 -1.26 -4.75 114.28 110.51 3bwi n THR 122 Ca 0.08 -0.01 -0.42 0.00 -3.05 0.00 0.00 64.05 60.65 3bwi n THR 122 Cb 0.53 0.52 -0.10 0.00 -1.55 0.00 0.00 70.33 69.73 3bwi n THR 122 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 3bwi s ILE 123 N -2.97 4.99 -1.22 1.09 -1.09 -1.26 -4.96 121.20 115.78 3bwi s ILE 123 Ca 0.11 -0.77 0.00 0.00 -2.23 0.00 0.00 60.65 57.76 3bwi s ILE 123 Cb 0.17 -3.79 0.00 0.00 -1.58 0.00 0.00 42.46 37.26 3bwi s ILE 123 CO 0.74 -0.30 0.76 -0.90 -1.23 0.00 0.00 174.94 174.01 3bwi n ASP 124 N 5.10 0.00 0.03 3.58 5.68 -1.26 -1.06 116.55 128.62 3bwi n ASP 124 Ca -0.11 0.28 0.11 0.00 -0.50 0.00 0.00 54.79 54.57 3bwi n ASP 124 Cb 0.46 -0.28 -0.04 0.00 -1.14 0.00 0.00 41.12 40.13 3bwi n ASP 124 CO 0.00 0.00 0.00 1.07 -1.33 0.00 0.00 177.20 176.94 3bwi n THR 125 N -1.26 0.22 -4.77 2.12 5.66 -1.26 -4.24 114.28 110.76 3bwi n THR 125 Ca 0.00 -0.37 -0.33 0.00 -3.05 0.00 0.00 64.05 60.30 3bwi n THR 125 Cb 0.04 0.07 -0.12 0.00 -1.55 0.00 0.00 70.33 68.76 3bwi n THR 125 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 175.07 170.19 3bwi s GLU 126 N -3.31 2.67 -0.17 1.09 -1.05 -0.22 0.50 118.70 118.21 3bwi s GLU 126 Ca -0.00 -0.63 -0.12 0.00 -0.15 0.00 0.00 54.97 54.07 3bwi s GLU 126 Cb 0.13 -2.49 -0.05 0.00 -0.44 0.00 0.00 34.13 31.29 3bwi s GLU 126 CO 0.83 0.61 0.23 -0.51 0.95 0.00 0.00 175.26 177.37 3bwi s LEU 127 N -0.69 4.24 -0.01 1.83 1.43 -0.48 -4.69 118.68 120.33 3bwi s LEU 127 Ca 0.10 0.42 -0.00 0.00 -1.03 0.00 0.00 54.13 53.62 3bwi s LEU 127 Cb -0.11 -2.26 0.01 0.00 0.03 0.00 0.00 46.19 43.86 3bwi s LEU 127 CO 0.01 0.15 0.01 -0.75 0.23 0.00 0.00 176.35 176.00 3bwi s LYS 128 N 0.32 -0.01 0.53 1.70 2.20 -1.16 -2.11 119.74 121.21 3bwi s LYS 128 Ca 0.14 0.06 -0.20 0.00 -0.36 0.00 0.00 55.97 55.60 3bwi s LYS 128 Cb -0.12 -0.08 -0.06 0.00 -1.51 0.00 0.00 37.83 36.07 3bwi s LYS 128 CO 0.02 -0.05 1.19 0.54 -0.36 0.00 0.00 175.35 176.68 3bwi s VAL 129 N 0.33 2.87 -0.33 4.02 0.11 -1.26 -0.65 120.40 125.49 3bwi s VAL 129 Ca -0.03 0.59 -0.17 0.00 -2.93 0.00 0.00 61.98 59.44 3bwi s VAL 129 Cb -0.04 -3.26 -0.01 0.00 -1.53 0.00 0.00 36.38 31.54 3bwi s VAL 129 CO -0.01 -0.08 0.45 -0.63 -3.33 0.00 0.00 175.10 171.51 3bwi s ILE 130 N -1.60 5.08 0.61 7.04 1.01 -1.26 -4.52 121.20 127.57 3bwi s ILE 130 Ca 0.71 0.32 0.31 0.00 0.00 0.00 0.00 60.65 61.99 3bwi s ILE 130 Cb -0.29 -3.88 0.36 0.00 0.01 0.00 0.00 42.46 38.66 3bwi s ILE 130 CO 0.33 -0.11 2.05 -2.24 0.00 0.00 0.00 174.94 174.97 3bwi h ASP 131 N 8.40 0.00 0.09 3.58 3.04 -1.96 -0.20 116.42 129.36 3bwi h ASP 131 Ca -0.29 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.50 3bwi h ASP 131 Cb 1.14 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.43 3bwi h ASP 131 CO 0.73 0.00 0.00 0.35 -2.04 0.00 0.00 179.24 178.28 3bwi n THR 132 N -3.51 0.08 -0.82 1.15 -2.24 -1.26 -1.58 114.28 106.10 3bwi n THR 132 Ca 0.02 0.02 0.08 0.00 -2.27 0.00 0.00 64.05 61.89 3bwi n THR 132 Cb 0.37 -0.67 0.35 0.00 -2.10 0.00 0.00 70.33 68.29 3bwi n THR 132 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3bwi n ASN 133 N -1.06 4.97 -4.35 3.42 3.02 -0.09 -4.64 115.26 116.53 3bwi n ASN 133 Ca 0.15 -2.78 -0.18 0.00 -0.03 0.00 0.00 54.58 51.75 3bwi n ASN 133 Cb 0.10 -0.61 -0.10 0.00 -0.61 0.00 0.00 39.78 38.56 3bwi n ASN 133 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3bwi s ILE 135 N -3.58 1.29 -0.31 0.00 -4.36 -0.45 -4.32 121.20 109.47 3bwi s ILE 135 Ca 0.36 -1.98 -0.09 0.00 -0.26 0.00 0.00 60.65 58.68 3bwi s ILE 135 Cb 0.08 -1.78 -0.00 0.00 1.25 0.00 0.00 42.46 42.01 3bwi s ILE 135 CO 0.13 -0.63 0.14 0.20 0.24 0.00 0.00 174.94 175.02 3bwi s ASN 136 N -2.98 5.48 -0.18 4.36 0.01 -0.33 -1.52 114.94 119.78 3bwi s ASN 136 Ca 0.15 -0.56 -0.09 0.00 -0.71 0.00 0.00 52.86 51.65 3bwi s ASN 136 Cb -0.00 -1.98 -0.05 0.00 0.41 0.00 0.00 41.25 39.63 3bwi s ASN 136 CO 0.02 -0.20 0.13 -0.69 -1.51 0.00 0.00 177.10 174.85 3bwi s VAL 137 N 1.59 5.40 -0.18 1.60 1.01 -0.19 -1.15 120.40 128.48 3bwi s VAL 137 Ca 0.04 0.18 -0.29 0.00 0.00 0.00 0.00 61.98 61.91 3bwi s VAL 137 Cb -0.17 -3.44 0.00 0.00 0.00 0.00 0.00 36.38 32.77 3bwi s VAL 137 CO 0.06 0.48 1.03 -0.63 0.00 0.00 0.00 175.10 176.03 3bwi s ILE 138 N 0.06 4.72 0.73 2.22 1.01 -0.43 -0.70 121.20 128.81 3bwi s ILE 138 Ca 0.09 2.04 -0.08 0.00 0.00 0.00 0.00 60.65 62.70 3bwi s ILE 138 Cb -0.11 -4.31 0.06 0.00 0.01 0.00 0.00 42.46 38.11 3bwi s ILE 138 CO -0.01 -0.10 1.05 -1.10 0.00 0.00 0.00 174.94 174.79 3bwi s GLN 139 N 2.69 2.20 0.49 2.79 -0.21 0.17 -4.44 119.66 123.34 3bwi s GLN 139 Ca 0.46 -0.12 0.22 0.00 0.02 0.00 0.00 55.36 55.93 3bwi s GLN 139 Cb -0.16 -2.11 1.26 0.00 1.00 0.00 0.00 33.01 32.99 3bwi s GLN 139 CO 0.11 -1.30 1.95 -1.35 -2.12 0.00 0.00 175.29 172.58 3bwi h PRO 140 N -0.70 0.17 -0.04 2.91 0.11 -1.85 0.16 132.00 132.76 3bwi h PRO 140 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3bwi h PRO 140 Cb 1.31 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3bwi h PRO 140 CO 0.62 0.12 0.00 -0.40 -0.21 0.00 0.00 178.00 178.12 3bwi n ASP 141 N -4.41 0.56 0.00 -2.05 5.75 -1.26 -4.89 116.55 110.24 3bwi n ASP 141 Ca 0.13 -1.43 0.00 0.00 -0.01 0.00 0.00 54.79 53.48 3bwi n ASP 141 Cb 0.62 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.68 3bwi n ASP 141 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3bwi n GLY 142 N 0.94 1.16 3.90 6.12 0.00 0.05 -5.05 105.19 112.31 3bwi n GLY 142 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 3bwi n GLY 142 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3bwi s SER 143 N -2.79 6.28 0.01 1.61 1.04 -1.26 -4.70 113.70 113.89 3bwi s SER 143 Ca 0.00 1.03 -0.10 0.00 0.48 0.00 0.00 55.95 57.36 3bwi s SER 143 Cb 0.00 -2.29 -0.05 0.00 0.10 0.00 0.00 66.02 63.78 3bwi s SER 143 CO 0.00 -0.61 0.33 -0.31 0.98 0.00 0.00 173.24 173.63 3bwi s TYR 144 N -2.77 3.62 -0.02 5.02 2.02 -1.26 0.42 117.35 124.38 3bwi s TYR 144 Ca 0.49 0.74 0.03 0.00 -0.37 0.00 0.00 57.07 57.96 3bwi s TYR 144 Cb -0.10 -2.11 -0.00 0.00 -0.40 0.00 0.00 41.96 39.34 3bwi s TYR 144 CO 0.45 0.61 -0.11 -0.98 -1.57 0.00 0.00 175.55 173.95 3bwi s ARG 145 N -1.53 0.98 -0.00 -0.62 1.70 0.12 -4.93 118.95 114.67 3bwi s ARG 145 Ca 0.26 -0.38 -0.27 0.00 -0.47 0.00 0.00 55.73 54.87 3bwi s ARG 145 Cb -0.14 -0.93 -0.04 0.00 -0.57 0.00 0.00 34.95 33.27 3bwi s ARG 145 CO 0.14 0.20 0.85 0.45 -1.08 0.00 0.00 175.30 175.86 3bwi s SER 146 N -0.11 7.23 -0.06 -2.89 0.15 -1.26 -1.03 113.70 115.73 3bwi s SER 146 Ca 0.02 1.48 0.01 0.00 0.70 0.00 0.00 55.95 58.16 3bwi s SER 146 Cb -0.06 -2.50 0.02 0.00 -1.71 0.00 0.00 66.02 61.77 3bwi s SER 146 CO -0.00 -0.14 -0.08 -0.70 1.20 0.00 0.00 173.24 173.51 3bwi s GLU 147 N 0.65 1.33 0.42 5.44 2.12 -0.58 -4.98 118.70 123.11 3bwi s GLU 147 Ca 0.44 -0.27 -0.23 0.00 0.36 0.00 0.00 54.97 55.28 3bwi s GLU 147 Cb -0.20 -1.21 -0.09 0.00 0.26 0.00 0.00 34.13 32.89 3bwi s GLU 147 CO 0.24 -0.06 1.02 -1.21 -0.54 0.00 0.00 175.26 174.71 3bwi s GLU 148 N 0.93 4.13 0.13 4.30 2.02 -1.26 -1.34 118.70 127.60 3bwi s GLU 148 Ca -0.10 1.40 -0.14 0.00 0.02 0.00 0.00 54.97 56.14 3bwi s GLU 148 Cb -0.15 -2.40 0.02 0.00 0.10 0.00 0.00 34.13 31.70 3bwi s GLU 148 CO 0.01 -0.15 0.36 -0.48 0.02 0.00 0.00 175.26 175.01 3bwi s LEU 149 N -2.87 0.63 -0.16 1.80 2.34 -1.09 -4.86 118.68 114.47 3bwi s LEU 149 Ca 0.60 -0.48 0.09 0.00 0.06 0.00 0.00 54.13 54.40 3bwi s LEU 149 Cb -0.18 1.64 -0.16 0.00 -0.56 0.00 0.00 46.19 46.93 3bwi s LEU 149 CO 0.23 -0.86 -0.03 0.59 -1.06 0.00 0.00 176.35 175.22 3bwi n ASN 150 N -0.21 1.78 -3.84 1.48 4.13 -0.34 -4.56 115.26 113.70 3bwi n ASN 150 Ca -0.14 -0.04 -0.12 0.00 1.68 0.00 0.00 54.58 55.96 3bwi n ASN 150 Cb 0.63 0.45 -0.12 0.00 -1.54 0.00 0.00 39.78 39.20 3bwi n ASN 150 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 3bwi s LEU 151 N -5.45 1.53 -0.05 3.41 2.96 -0.91 -0.91 118.68 119.26 3bwi s LEU 151 Ca -0.14 0.15 0.02 0.00 -0.22 0.00 0.00 54.13 53.94 3bwi s LEU 151 Cb 0.05 0.49 0.02 0.00 0.50 0.00 0.00 46.19 47.25 3bwi s LEU 151 CO 0.54 -0.12 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.69 3bwi s VAL 152 N -0.27 0.71 -0.23 1.68 1.01 0.92 -1.06 120.40 123.16 3bwi s VAL 152 Ca -0.03 -0.24 -0.07 0.00 0.00 0.00 0.00 61.98 61.63 3bwi s VAL 152 Cb -0.03 -0.69 -0.03 0.00 0.00 0.00 0.00 36.38 35.63 3bwi s VAL 152 CO 0.00 0.26 0.06 -0.63 0.00 0.00 0.00 175.10 174.79 3bwi s ILE 153 N 0.74 4.42 0.16 2.22 -1.09 -0.20 -0.55 121.20 126.88 3bwi s ILE 153 Ca -0.11 -0.15 0.05 0.00 -2.23 0.00 0.00 60.65 58.21 3bwi s ILE 153 Cb -0.14 -3.04 -0.04 0.00 -1.58 0.00 0.00 42.46 37.66 3bwi s ILE 153 CO 0.01 0.38 -0.11 -0.51 -1.23 0.00 0.00 174.94 173.47 3bwi s ILE 154 N 1.23 1.30 0.87 2.92 2.07 -0.19 -0.56 121.20 128.85 3bwi s ILE 154 Ca 0.05 -2.07 -0.11 0.00 -1.41 0.00 0.00 60.65 57.11 3bwi s ILE 154 Cb -0.14 -1.86 0.12 0.00 0.13 0.00 0.00 42.46 40.70 3bwi s ILE 154 CO 0.03 -0.69 1.09 -0.83 -1.91 0.00 0.00 174.94 172.63 3bwi s GLY 155 N -3.15 1.64 0.89 1.50 0.00 0.54 -1.02 107.32 107.73 3bwi s GLY 155 Ca 0.17 0.10 -0.11 0.00 0.00 0.00 0.00 44.72 44.88 3bwi s GLY 155 CO 0.02 0.55 1.09 2.56 0.00 0.00 0.00 173.10 177.32 3bwi s PRO 156 N -4.87 1.31 0.00 2.90 0.04 -1.26 -1.90 135.00 131.22 3bwi s PRO 156 Ca 0.63 0.84 0.00 0.00 0.04 0.00 0.00 61.00 62.52 3bwi s PRO 156 Cb -0.19 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.54 3bwi s PRO 156 CO 0.57 -2.21 0.00 0.45 0.04 0.00 0.00 177.00 175.85 3bwi n SER 157 N -3.87 0.00 -0.00 6.66 2.88 -1.26 -1.95 113.62 116.08 3bwi n SER 157 Ca 0.07 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.52 3bwi n SER 157 Cb 0.55 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.98 3bwi n SER 157 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3bwi h ALA 158 N -1.80 -0.15 -1.58 -1.46 0.00 -1.85 -3.34 119.26 109.09 3bwi h ALA 158 Ca 0.00 0.05 -0.56 0.00 0.00 0.00 0.00 54.91 54.39 3bwi h ALA 158 Cb 0.00 0.40 -0.09 0.00 0.00 0.00 0.00 17.79 18.10 3bwi h ALA 158 CO 0.00 -0.65 0.91 0.34 0.00 0.00 0.00 179.25 179.85 3bwi s ASP 159 N -5.01 6.37 0.41 0.00 -1.08 -1.26 -4.48 116.67 111.62 3bwi s ASP 159 Ca -0.15 -0.11 0.13 0.00 -0.52 0.00 0.00 52.55 51.91 3bwi s ASP 159 Cb 0.11 -2.53 0.98 0.00 -1.46 0.00 0.00 42.92 40.02 3bwi s ASP 159 CO 0.67 -1.51 1.94 0.40 0.52 0.00 0.00 175.17 177.20 3bwi h ILE 160 N 6.11 0.86 -0.18 4.11 2.04 -1.15 -2.36 117.51 126.94 3bwi h ILE 160 Ca -0.26 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.44 3bwi h ILE 160 Cb 1.06 0.34 0.00 0.00 -0.74 0.00 0.00 36.82 37.47 3bwi h ILE 160 CO 1.19 0.09 0.00 2.30 0.00 0.00 0.00 178.15 181.73 3bwi n ILE 161 N -4.48 0.22 -2.99 -0.67 -5.35 -1.26 -4.65 119.36 100.19 3bwi n ILE 161 Ca 0.13 -0.38 -0.44 0.00 -0.27 0.00 0.00 62.75 61.79 3bwi n ILE 161 Cb 0.43 0.44 0.00 0.00 -1.74 0.00 0.00 39.64 38.77 3bwi n ILE 161 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3bwi n GLN 162 N 0.43 3.41 -2.74 6.28 1.13 -0.89 -5.00 117.38 119.99 3bwi n GLN 162 Ca 0.16 -3.93 -0.33 0.00 -1.94 0.00 0.00 57.00 50.96 3bwi n GLN 162 Cb 0.36 -2.97 -0.06 0.00 0.11 0.00 0.00 30.24 27.68 3bwi n GLN 162 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 3bwi s PHE 163 N 1.12 3.24 -0.03 1.08 0.08 -1.26 -4.81 117.98 117.39 3bwi s PHE 163 Ca 0.41 1.61 -0.30 0.00 0.12 0.00 0.00 56.93 58.77 3bwi s PHE 163 Cb -0.03 -2.91 0.11 0.00 -0.57 0.00 0.00 43.02 39.61 3bwi s PHE 163 CO -0.01 -0.30 1.06 -1.83 -0.10 0.00 0.00 175.22 174.05 3bwi s GLU 164 N -3.15 0.68 -0.31 0.44 -1.05 -1.00 -4.96 118.70 109.34 3bwi s GLU 164 Ca 0.63 -0.31 -0.03 0.00 -0.15 0.00 0.00 54.97 55.11 3bwi s GLU 164 Cb -0.11 0.28 0.05 0.00 -0.44 0.00 0.00 34.13 33.90 3bwi s GLU 164 CO 0.15 -0.30 0.03 0.00 0.95 0.00 0.00 175.26 176.09 3bwi s LYS 166 N 1.30 1.67 0.16 0.00 -2.85 0.12 -4.94 119.74 115.21 3bwi s LYS 166 Ca -0.04 -1.88 -0.18 0.00 -1.00 0.00 0.00 55.97 52.87 3bwi s LYS 166 Cb -0.20 -1.28 0.04 0.00 -2.06 0.00 0.00 37.83 34.33 3bwi s LYS 166 CO 0.00 0.01 0.49 -1.54 0.10 0.00 0.00 175.35 174.42 3bwi s SER 167 N -3.52 -0.31 0.04 0.03 1.04 -1.26 0.03 113.70 109.74 3bwi s SER 167 Ca 0.32 -0.32 -0.30 0.00 0.48 0.00 0.00 55.95 56.13 3bwi s SER 167 Cb 0.05 0.54 -0.04 0.00 0.10 0.00 0.00 66.02 66.67 3bwi s SER 167 CO 0.14 -0.96 1.04 -0.36 0.98 0.00 0.00 173.24 174.08 3bwi s PHE 168 N -3.82 3.61 0.91 5.02 0.08 -1.26 -5.03 117.98 117.49 3bwi s PHE 168 Ca 0.05 1.60 -0.15 0.00 0.12 0.00 0.00 56.93 58.55 3bwi s PHE 168 Cb 0.00 -3.20 0.21 0.00 -0.57 0.00 0.00 43.02 39.46 3bwi s PHE 168 CO -0.08 -0.34 1.23 0.41 -0.10 0.00 0.00 175.22 176.33 3bwi n GLY 169 N 2.88 -1.50 3.34 4.36 0.00 -1.26 -4.94 105.19 108.06 3bwi n GLY 169 Ca 0.06 -1.70 -0.25 0.00 0.00 0.00 0.00 46.02 44.13 3bwi n GLY 169 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3bwi s HIS 170 N -3.68 1.95 0.43 1.61 2.46 -1.23 -5.04 115.29 111.80 3bwi s HIS 170 Ca 0.70 -0.42 0.15 0.00 0.47 0.00 0.00 55.06 55.96 3bwi s HIS 170 Cb -0.02 -1.02 1.05 0.00 -0.13 0.00 0.00 32.58 32.46 3bwi s HIS 170 CO 0.49 0.31 1.96 1.49 -2.47 0.00 0.00 174.74 176.51 3bwi h GLU 171 N 3.68 0.39 0.00 2.88 4.81 -2.05 -3.36 114.58 120.92 3bwi h GLU 171 Ca -0.46 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 3bwi h GLU 171 Cb 1.19 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.48 3bwi h GLU 171 CO 0.44 0.25 -0.51 1.33 -0.73 0.00 0.00 179.01 179.80 3bwi n VAL 172 N -4.47 0.00 -2.85 0.32 0.24 -1.26 -5.08 118.33 105.23 3bwi n VAL 172 Ca 0.11 0.00 -0.40 0.00 -2.04 0.00 0.00 64.34 62.01 3bwi n VAL 172 Cb 0.44 -0.32 -0.05 0.00 -1.47 0.00 0.00 33.84 32.44 3bwi n VAL 172 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3bwi s LEU 173 N -3.64 4.47 -1.10 1.34 1.43 -1.26 -4.98 118.68 114.94 3bwi s LEU 173 Ca 0.00 1.62 -0.13 0.00 -1.03 0.00 0.00 54.13 54.58 3bwi s LEU 173 Cb 0.00 -3.41 0.20 0.00 0.03 0.00 0.00 46.19 43.01 3bwi s LEU 173 CO 0.00 -0.03 1.23 0.20 0.23 0.00 0.00 176.35 177.98 3bwi s ASN 174 N 0.01 7.05 0.41 2.29 0.02 -1.26 -3.56 114.94 119.89 3bwi s ASN 174 Ca 0.43 -3.00 0.17 0.00 -1.02 0.00 0.00 52.86 49.43 3bwi s ASN 174 Cb -0.22 -2.33 1.05 0.00 0.02 0.00 0.00 41.25 39.78 3bwi s ASN 174 CO 0.26 -0.64 1.83 -0.07 0.02 0.00 0.00 177.10 178.51 3bwi h LEU 175 N 8.74 0.45 -0.57 0.60 3.38 -1.93 -0.66 115.31 125.32 3bwi h LEU 175 Ca 0.23 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.25 3bwi h LEU 175 Cb 0.91 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.63 3bwi h LEU 175 CO 1.11 0.17 -0.06 0.35 0.09 0.00 0.00 178.44 180.10 3bwi n THR 176 N -4.55 0.00 -0.77 0.22 -2.24 -1.26 0.16 114.28 105.84 3bwi n THR 176 Ca 0.21 -0.15 0.01 0.00 -2.27 0.00 0.00 64.05 61.85 3bwi n THR 176 Cb 0.72 0.17 0.01 0.00 -2.10 0.00 0.00 70.33 69.13 3bwi n THR 176 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3bwi n ARG 177 N -0.39 1.15 -0.10 -0.78 1.74 -0.38 -1.32 116.66 116.57 3bwi n ARG 177 Ca 0.18 -1.07 0.08 0.00 -0.77 0.00 0.00 57.85 56.27 3bwi n ARG 177 Cb 0.29 -0.76 0.11 0.00 -1.02 0.00 0.00 32.46 31.09 3bwi n ARG 177 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 3bwi n ASN 178 N -0.29 2.06 0.00 0.55 6.94 -0.46 -4.84 115.26 119.22 3bwi n ASN 178 Ca 0.01 -2.85 0.00 0.00 -0.02 0.00 0.00 54.58 51.73 3bwi n ASN 178 Cb 0.45 -0.36 0.00 0.00 -2.36 0.00 0.00 39.78 37.51 3bwi n ASN 178 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3bwi n GLY 179 N -1.19 2.96 0.23 4.83 0.00 0.21 -4.75 105.19 107.48 3bwi n GLY 179 Ca 0.13 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.01 3bwi n GLY 179 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3bwi h TYR 180 N 0.00 -0.47 0.00 1.61 -1.99 -1.79 -3.36 116.97 110.97 3bwi h TYR 180 Ca 0.00 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.72 3bwi h TYR 180 Cb 0.00 0.15 0.00 0.00 2.00 0.00 0.00 36.73 38.88 3bwi h TYR 180 CO 0.00 -0.14 0.00 0.41 -0.00 0.00 0.00 178.16 178.43 3bwi n GLY 181 N -0.39 0.19 3.38 3.88 0.00 0.12 -1.53 105.19 110.85 3bwi n GLY 181 Ca -0.10 -1.73 -0.11 0.00 0.00 0.00 0.00 46.02 44.08 3bwi n GLY 181 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3bwi s SER 182 N -1.72 -0.42 0.19 1.61 1.04 -1.23 -4.33 113.70 108.84 3bwi s SER 182 Ca 0.00 -0.15 -0.32 0.00 0.48 0.00 0.00 55.95 55.97 3bwi s SER 182 Cb 0.00 0.55 -0.12 0.00 0.10 0.00 0.00 66.02 66.55 3bwi s SER 182 CO 0.00 -0.93 1.75 0.41 0.98 0.00 0.00 173.24 175.46 3bwi n THR 183 N -0.32 0.09 -3.81 2.02 -1.04 -1.26 -4.53 114.28 105.43 3bwi n THR 183 Ca -0.16 -0.02 -0.35 0.00 -2.04 0.00 0.00 64.05 61.48 3bwi n THR 183 Cb 0.64 -2.02 -0.08 0.00 -1.82 0.00 0.00 70.33 67.05 3bwi n THR 183 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 3bwi s GLN 184 N 1.53 3.97 -0.25 -2.82 -1.52 -0.09 -4.42 119.66 116.07 3bwi s GLN 184 Ca 0.77 -0.22 -0.04 0.00 -1.95 0.00 0.00 55.36 53.92 3bwi s GLN 184 Cb -0.50 -3.33 0.01 0.00 -0.22 0.00 0.00 33.01 28.97 3bwi s GLN 184 CO 0.33 0.42 -0.02 0.71 -0.25 0.00 0.00 175.29 176.48 3bwi s TYR 185 N 0.02 3.05 -0.27 0.91 2.02 0.10 -0.06 117.35 123.12 3bwi s TYR 185 Ca 0.09 -1.17 -0.08 0.00 -0.37 0.00 0.00 57.07 55.54 3bwi s TYR 185 Cb -0.11 -2.13 -0.02 0.00 -0.40 0.00 0.00 41.96 39.30 3bwi s TYR 185 CO -0.00 -0.62 0.10 0.42 -1.57 0.00 0.00 175.55 173.88 3bwi s ILE 186 N 1.43 4.43 -0.23 2.71 1.01 0.28 -0.70 121.20 130.14 3bwi s ILE 186 Ca 0.03 -0.25 -0.28 0.00 0.00 0.00 0.00 60.65 60.14 3bwi s ILE 186 Cb -0.16 -3.14 0.01 0.00 0.01 0.00 0.00 42.46 39.18 3bwi s ILE 186 CO -0.02 0.24 1.01 -0.13 0.00 0.00 0.00 174.94 176.04 3bwi s ARG 187 N 1.62 4.25 0.01 2.79 0.52 0.28 -1.02 118.95 127.40 3bwi s ARG 187 Ca 0.06 1.31 -0.26 0.00 -0.52 0.00 0.00 55.73 56.31 3bwi s ARG 187 Cb -0.16 -3.64 0.06 0.00 0.52 0.00 0.00 34.95 31.73 3bwi s ARG 187 CO 0.05 -0.61 0.60 0.12 0.02 0.00 0.00 175.30 175.47 3bwi s PHE 188 N 3.15 -0.55 -0.02 -0.53 5.36 -0.19 -2.38 117.98 122.83 3bwi s PHE 188 Ca 0.43 0.76 0.00 0.00 -0.96 0.00 0.00 56.93 57.16 3bwi s PHE 188 Cb -0.15 0.40 0.03 0.00 -0.34 0.00 0.00 43.02 42.95 3bwi s PHE 188 CO 0.06 -0.65 0.02 0.45 -1.46 0.00 0.00 175.22 173.65 3bwi s SER 189 N -1.68 0.10 0.00 6.13 0.15 -1.26 -4.08 113.70 113.07 3bwi s SER 189 Ca -0.08 0.03 0.28 0.00 0.70 0.00 0.00 55.95 56.88 3bwi s SER 189 Cb -0.01 -0.08 0.96 0.00 -1.71 0.00 0.00 66.02 65.18 3bwi s SER 189 CO 0.03 -0.12 1.69 -0.81 1.20 0.00 0.00 173.24 175.23 3bwi n PRO 190 N 4.09 1.64 -0.03 5.44 -0.04 -1.26 -4.09 135.00 140.75 3bwi n PRO 190 Ca -0.27 -1.00 0.13 0.00 -0.04 0.00 0.00 63.50 62.33 3bwi n PRO 190 Cb 0.51 -1.48 0.37 0.00 -0.04 0.00 0.00 33.50 32.86 3bwi n PRO 190 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3bwi n ASP 191 N 0.19 2.05 -3.99 3.54 8.00 -1.26 -4.58 116.55 120.51 3bwi n ASP 191 Ca 0.18 -1.70 -0.08 0.00 0.71 0.00 0.00 54.79 53.90 3bwi n ASP 191 Cb 0.37 -0.03 -0.09 0.00 -0.02 0.00 0.00 41.12 41.35 3bwi n ASP 191 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3bwi s PHE 192 N -1.93 0.33 0.28 1.24 0.08 -1.26 -1.55 117.98 115.17 3bwi s PHE 192 Ca 0.35 -0.76 -0.11 0.00 0.12 0.00 0.00 56.93 56.52 3bwi s PHE 192 Cb 0.20 -0.24 0.00 0.00 -0.57 0.00 0.00 43.02 42.42 3bwi s PHE 192 CO 0.31 -0.39 0.51 -0.08 -0.10 0.00 0.00 175.22 175.46 3bwi s THR 193 N -3.34 0.00 0.17 0.64 -1.32 -0.59 -4.89 115.64 106.31 3bwi s THR 193 Ca 0.01 -1.41 0.08 0.00 -1.21 0.00 0.00 61.69 59.17 3bwi s THR 193 Cb 0.03 -2.34 -0.04 0.00 -1.51 0.00 0.00 72.50 68.64 3bwi s THR 193 CO -0.08 0.00 -0.06 -0.36 -2.21 0.00 0.00 174.62 171.91 3bwi s PHE 194 N -3.69 2.73 0.09 9.09 0.08 -1.26 -0.49 117.98 124.53 3bwi s PHE 194 Ca 0.23 -0.18 -0.01 0.00 0.12 0.00 0.00 56.93 57.09 3bwi s PHE 194 Cb -0.01 -1.33 -0.04 0.00 -0.57 0.00 0.00 43.02 41.06 3bwi s PHE 194 CO 0.11 0.51 0.27 0.20 -0.10 0.00 0.00 175.22 176.21 3bwi s GLY 195 N -2.83 2.17 0.18 4.36 0.00 0.07 -0.60 107.32 110.67 3bwi s GLY 195 Ca 0.26 -0.76 -0.04 0.00 0.00 0.00 0.00 44.72 44.18 3bwi s GLY 195 CO 0.16 -0.72 0.18 -0.11 0.00 0.00 0.00 173.10 172.61 3bwi s PHE 196 N -1.58 0.88 -0.10 1.90 -0.12 0.10 -3.77 117.98 115.30 3bwi s PHE 196 Ca 0.37 -1.18 -0.02 0.00 -0.05 0.00 0.00 56.93 56.05 3bwi s PHE 196 Cb -0.13 -0.38 -0.03 0.00 -0.63 0.00 0.00 43.02 41.86 3bwi s PHE 196 CO 0.27 -0.67 -0.01 -1.21 -0.05 0.00 0.00 175.22 173.55 3bwi s GLU 197 N -4.09 3.10 0.50 1.99 0.41 -1.26 -1.89 118.70 117.46 3bwi s GLU 197 Ca 0.30 -0.44 0.27 0.00 -0.41 0.00 0.00 54.97 54.70 3bwi s GLU 197 Cb 0.06 -2.81 1.34 0.00 -1.78 0.00 0.00 34.13 30.94 3bwi s GLU 197 CO 0.08 0.61 2.01 1.05 -0.49 0.00 0.00 175.26 178.52 3bwi h GLU 198 N 5.46 0.00 -5.45 1.61 9.09 -1.97 -3.41 114.58 119.91 3bwi h GLU 198 Ca -0.47 0.00 -0.60 0.00 0.05 0.00 0.00 59.36 58.34 3bwi h GLU 198 Cb 1.19 0.00 -0.11 0.00 -1.65 0.00 0.00 28.75 28.18 3bwi h GLU 198 CO 0.56 0.14 -0.21 -1.12 0.05 0.00 0.00 179.01 178.43 3bwi s SER 199 N -6.14 6.45 0.19 3.06 0.01 -1.26 -4.99 113.70 111.02 3bwi s SER 199 Ca -0.02 0.53 -0.12 0.00 1.31 0.00 0.00 55.95 57.65 3bwi s SER 199 Cb 0.12 -2.23 0.19 0.00 0.21 0.00 0.00 66.02 64.31 3bwi s SER 199 CO 0.59 -0.06 1.76 0.25 0.41 0.00 0.00 173.24 176.20 3bwi h LEU 200 N 7.50 0.25 -2.15 2.44 5.85 -1.99 0.12 115.31 127.32 3bwi h LEU 200 Ca -0.37 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.40 3bwi h LEU 200 Cb 1.16 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.21 3bwi h LEU 200 CO 0.72 0.17 -0.02 -0.33 -0.34 0.00 0.00 178.44 178.63 3bwi h GLU 201 N 0.41 0.00 0.10 1.25 5.08 -1.96 -1.61 114.58 117.86 3bwi h GLU 201 Ca 0.25 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.38 3bwi h GLU 201 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 3bwi h GLU 201 CO -0.23 0.02 -1.13 0.28 -1.00 0.00 0.00 179.01 176.96 3bwi h VAL 202 N 0.00 1.21 -0.27 3.13 2.07 -1.55 -3.28 116.25 117.57 3bwi h VAL 202 Ca -0.00 -2.41 -0.01 0.00 0.82 0.00 0.00 66.70 65.10 3bwi h VAL 202 Cb 0.05 2.86 -0.01 0.00 -1.52 0.00 0.00 31.29 32.66 3bwi h VAL 202 CO 0.00 0.67 0.12 -0.78 0.02 0.00 0.00 177.57 177.60 3bwi h ASP 203 N -0.44 0.32 -0.41 0.57 3.58 -0.53 -1.88 116.42 117.63 3bwi h ASP 203 Ca -0.24 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.19 3bwi h ASP 203 Cb 1.63 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 42.60 3bwi h ASP 203 CO 0.05 0.29 0.00 0.35 -2.88 0.00 0.00 179.24 177.05 3bwi n THR 204 N -4.44 0.54 -4.27 2.25 -2.24 -0.63 -1.90 114.28 103.59 3bwi n THR 204 Ca 0.01 -0.58 -0.34 0.00 -2.27 0.00 0.00 64.05 60.87 3bwi n THR 204 Cb 0.11 0.37 -0.13 0.00 -2.10 0.00 0.00 70.33 68.58 3bwi n THR 204 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3bwi s ASN 205 N -1.13 4.64 0.00 3.42 3.84 -0.71 -4.72 114.94 120.28 3bwi s ASN 205 Ca 0.32 -0.21 0.14 0.00 0.21 0.00 0.00 52.86 53.32 3bwi s ASN 205 Cb 0.17 -1.77 0.63 0.00 -0.55 0.00 0.00 41.25 39.73 3bwi s ASN 205 CO 0.23 0.11 1.45 -0.81 -2.79 0.00 0.00 177.10 175.29 3bwi n PRO 206 N 3.95 0.03 0.00 0.43 -0.04 -1.26 -3.30 135.00 134.81 3bwi n PRO 206 Ca -0.17 0.24 0.06 0.00 -0.04 0.00 0.00 63.50 63.59 3bwi n PRO 206 Cb 0.52 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.45 3bwi n PRO 206 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3bwi n LEU 207 N -1.47 1.08 -4.42 1.53 4.77 -1.26 -2.17 117.00 115.06 3bwi n LEU 207 Ca 0.04 -0.64 -0.30 0.00 -0.03 0.00 0.00 56.01 55.08 3bwi n LEU 207 Cb 0.16 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.12 3bwi n LEU 207 CO 0.13 0.23 -0.54 -0.76 -1.33 0.00 0.00 177.39 175.12 3bwi s LEU 208 N -2.22 2.43 0.00 2.23 1.43 -1.21 -4.71 118.68 116.64 3bwi s LEU 208 Ca 0.08 -0.62 0.00 0.00 -1.03 0.00 0.00 54.13 52.56 3bwi s LEU 208 Cb 0.11 -1.36 0.00 0.00 0.03 0.00 0.00 46.19 44.97 3bwi s LEU 208 CO 0.43 0.21 0.00 0.61 0.23 0.00 0.00 176.35 177.83 3bwi n GLY 209 N 1.16 -0.45 0.04 -3.19 0.00 -1.26 -4.77 105.19 96.71 3bwi n GLY 209 Ca -0.17 -1.50 0.04 0.00 0.00 0.00 0.00 46.02 44.39 3bwi n GLY 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bwi n ALA 210 N 0.15 3.04 -0.29 4.61 0.00 -1.26 -4.71 120.51 122.05 3bwi n ALA 210 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.17 3bwi n ALA 210 Cb 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 19.45 19.14 3bwi n ALA 210 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bwi n GLY 211 N 1.13 0.90 0.32 0.00 0.00 -1.26 -4.37 105.19 101.91 3bwi n GLY 211 Ca 0.02 -0.72 -0.05 0.00 0.00 0.00 0.00 46.02 45.27 3bwi n GLY 211 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3bwi h LYS 212 N 0.00 1.11 -5.99 1.61 3.64 -1.90 -3.40 116.57 111.63 3bwi h LYS 212 Ca 0.00 -0.12 -0.65 0.00 -1.27 0.00 0.00 60.65 58.61 3bwi h LYS 212 Cb 0.19 -0.22 -0.08 0.00 -0.41 0.00 0.00 32.23 31.71 3bwi h LYS 212 CO 0.00 0.81 -0.56 -0.06 -2.27 0.00 0.00 179.45 177.37 3bwi s PHE 213 N -5.88 3.34 -0.14 1.91 0.08 -0.79 -1.05 117.98 115.44 3bwi s PHE 213 Ca -0.13 0.22 -0.06 0.00 0.12 0.00 0.00 56.93 57.08 3bwi s PHE 213 Cb 0.15 -1.74 -0.04 0.00 -0.57 0.00 0.00 43.02 40.83 3bwi s PHE 213 CO 0.81 0.57 0.08 0.00 -0.10 0.00 0.00 175.22 176.57 3bwi s ALA 214 N -1.28 3.56 0.26 5.36 0.00 0.46 0.00 121.76 130.13 3bwi s ALA 214 Ca 0.26 -0.72 -0.30 0.00 0.00 0.00 0.00 51.96 51.20 3bwi s ALA 214 Cb -0.12 -1.86 -0.09 0.00 0.00 0.00 0.00 23.12 21.04 3bwi s ALA 214 CO 0.17 0.41 1.27 0.99 0.00 0.00 0.00 175.76 178.61 3bwi s THR 215 N -0.37 3.08 -0.15 0.00 2.01 0.23 -4.82 115.64 115.62 3bwi s THR 215 Ca 0.10 0.99 -0.29 0.00 0.31 0.00 0.00 61.69 62.79 3bwi s THR 215 Cb -0.12 -3.63 -0.02 0.00 0.01 0.00 0.00 72.50 68.75 3bwi s THR 215 CO 0.02 0.19 1.25 -0.62 -0.69 0.00 0.00 174.62 174.77 3bwi s ASP 216 N -0.17 6.96 0.59 3.53 -1.08 -1.26 -4.60 116.67 120.65 3bwi s ASP 216 Ca 0.52 1.70 0.29 0.00 -0.52 0.00 0.00 52.55 54.54 3bwi s ASP 216 Cb -0.37 -2.54 1.43 0.00 -1.46 0.00 0.00 42.92 39.98 3bwi s ASP 216 CO 0.44 -0.73 1.84 -0.65 0.52 0.00 0.00 175.17 176.59 3bwi h PRO 217 N 8.08 0.00 -0.28 4.34 0.11 -1.93 0.05 132.00 142.37 3bwi h PRO 217 Ca -0.27 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.75 3bwi h PRO 217 Cb 1.11 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 3bwi h PRO 217 CO 0.96 0.00 -0.19 0.00 -0.21 0.00 0.00 178.00 178.56 3bwi h ALA 218 N 1.37 1.14 -0.27 -0.75 0.00 -1.93 -0.77 119.26 118.05 3bwi h ALA 218 Ca 0.23 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 3bwi h ALA 218 Cb 1.33 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 3bwi h ALA 218 CO -0.00 0.54 -0.17 0.28 0.00 0.00 0.00 179.25 179.89 3bwi h VAL 219 N 0.47 1.30 -0.35 0.00 2.07 -1.37 -0.68 116.25 117.68 3bwi h VAL 219 Ca 0.08 -1.29 0.03 0.00 0.82 0.00 0.00 66.70 66.33 3bwi h VAL 219 Cb 0.60 1.55 -0.03 0.00 -1.52 0.00 0.00 31.29 31.88 3bwi h VAL 219 CO 0.04 0.41 0.17 0.74 0.02 0.00 0.00 177.57 178.95 3bwi h THR 220 N 0.34 0.98 -0.50 2.57 2.02 -1.40 0.30 112.91 117.22 3bwi h THR 220 Ca 0.06 -0.12 -0.06 0.00 0.77 0.00 0.00 66.41 67.05 3bwi h THR 220 Cb 0.71 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 67.69 3bwi h THR 220 CO 0.05 0.07 0.06 0.25 0.37 0.00 0.00 175.52 176.31 3bwi h LEU 221 N 0.36 0.81 -0.91 2.58 5.85 -1.11 -2.47 115.31 120.41 3bwi h LEU 221 Ca 0.15 -0.27 0.03 0.00 0.84 0.00 0.00 57.88 58.62 3bwi h LEU 221 Cb 0.06 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 40.83 3bwi h LEU 221 CO -0.11 0.88 0.59 0.00 -0.34 0.00 0.00 178.44 179.46 3bwi h ALA 222 N 0.96 1.18 -0.43 1.25 0.00 -0.53 0.19 119.26 121.88 3bwi h ALA 222 Ca 0.15 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.07 3bwi h ALA 222 Cb 0.43 -0.33 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 3bwi h ALA 222 CO 0.01 0.47 0.13 1.25 0.00 0.00 0.00 179.25 181.12 3bwi h HIS 223 N 1.16 0.24 -0.36 0.00 -0.00 -0.09 0.48 115.15 116.58 3bwi h HIS 223 Ca 0.35 0.02 -0.10 0.00 -0.00 0.00 0.00 60.37 60.65 3bwi h HIS 223 Cb -0.04 -0.04 -0.02 0.00 -0.00 0.00 0.00 27.41 27.32 3bwi h HIS 223 CO -0.01 0.08 -0.17 0.93 -0.00 0.00 0.00 177.93 178.75 3bwi h GLU 224 N 0.29 0.67 0.00 5.26 4.39 -0.78 -2.50 114.58 121.92 3bwi h GLU 224 Ca 0.20 -0.24 -0.06 0.00 0.34 0.00 0.00 59.36 59.61 3bwi h GLU 224 Cb 0.21 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 3bwi h GLU 224 CO -0.22 0.81 -0.28 -0.07 -1.16 0.00 0.00 179.01 178.09 3bwi h LEU 225 N 0.60 0.00 -0.29 1.33 3.38 0.35 -1.34 115.31 119.33 3bwi h LEU 225 Ca 0.10 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 3bwi h LEU 225 Cb 0.63 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 3bwi h LEU 225 CO 0.04 0.28 -0.05 0.40 0.09 0.00 0.00 178.44 179.21 3bwi h ILE 226 N 0.00 1.27 -0.58 1.22 2.04 -0.51 0.27 117.51 121.23 3bwi h ILE 226 Ca -0.00 -1.05 0.01 0.00 1.00 0.00 0.00 64.86 64.83 3bwi h ILE 226 Cb 0.50 1.36 -0.03 0.00 -0.74 0.00 0.00 36.82 37.91 3bwi h ILE 226 CO 0.04 0.33 0.37 0.45 0.00 0.00 0.00 178.15 179.34 3bwi h HIS 227 N 0.32 0.70 -0.77 1.37 3.86 -1.19 -1.79 115.15 117.66 3bwi h HIS 227 Ca 0.08 0.02 0.07 0.00 -1.16 0.00 0.00 60.37 59.38 3bwi h HIS 227 Cb 0.51 -0.23 -0.06 0.00 1.06 0.00 0.00 27.41 28.68 3bwi h HIS 227 CO 0.05 0.43 0.44 0.00 0.86 0.00 0.00 177.93 179.71 3bwi h ALA 228 N 1.23 1.06 -0.13 2.45 0.00 -0.83 -0.25 119.26 122.79 3bwi h ALA 228 Ca 0.22 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.17 3bwi h ALA 228 Cb -0.04 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3bwi h ALA 228 CO -0.07 0.12 0.02 0.78 0.00 0.00 0.00 179.25 180.10 3bwi h GLY 229 N 0.79 0.14 0.71 0.00 0.00 -0.20 0.37 103.07 104.88 3bwi h GLY 229 Ca 0.35 -0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.71 3bwi h GLY 229 CO -0.21 -0.00 0.07 0.45 0.00 0.00 0.00 176.54 176.86 3bwi h HIS 230 N 0.07 0.13 -0.14 5.60 3.86 -0.56 -2.58 115.15 121.54 3bwi h HIS 230 Ca 0.06 0.02 -0.11 0.00 -1.16 0.00 0.00 60.37 59.17 3bwi h HIS 230 Cb 0.05 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.50 3bwi h HIS 230 CO -0.13 0.05 -0.41 0.00 0.86 0.00 0.00 177.93 178.30 3bwi h ARG 231 N 0.19 0.31 0.00 2.45 3.08 -0.72 0.44 114.38 120.13 3bwi h ARG 231 Ca 0.13 -0.15 -0.07 0.00 0.07 0.00 0.00 59.98 59.96 3bwi h ARG 231 Cb 0.12 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 3bwi h ARG 231 CO -0.15 0.68 -0.32 -0.07 -1.07 0.00 0.00 179.97 179.04 3bwi h LEU 232 N 0.26 0.00 -2.77 3.04 3.38 -0.03 -2.26 115.31 116.93 3bwi h LEU 232 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3bwi h LEU 232 Cb 0.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.59 3bwi h LEU 232 CO 0.07 0.32 0.00 -1.22 0.09 0.00 0.00 178.44 177.70 3bwi n TYR 233 N -3.62 0.91 -3.86 1.13 4.01 -0.99 -4.02 117.16 110.72 3bwi n TYR 233 Ca -0.01 -0.50 -0.29 0.00 -0.16 0.00 0.00 57.90 56.94 3bwi n TYR 233 Cb 0.44 -0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.50 3bwi n TYR 233 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3bwi n GLY 234 N 1.50 -0.51 0.30 2.72 0.00 -0.77 -4.18 105.19 104.25 3bwi n GLY 234 Ca 0.23 0.21 0.08 0.00 0.00 0.00 0.00 46.02 46.53 3bwi n GLY 234 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3bwi n ILE 235 N -4.74 1.70 -2.15 -0.61 -5.35 0.08 -0.62 119.36 107.66 3bwi n ILE 235 Ca 0.04 -2.22 -0.38 0.00 -0.27 0.00 0.00 62.75 59.92 3bwi n ILE 235 Cb 0.53 -0.11 -0.00 0.00 -1.74 0.00 0.00 39.64 38.31 3bwi n ILE 235 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3bwi s ALA 236 N -2.55 3.09 0.06 -1.28 0.00 -0.43 -4.92 121.76 115.72 3bwi s ALA 236 Ca 0.30 1.08 -0.26 0.00 0.00 0.00 0.00 51.96 53.09 3bwi s ALA 236 Cb 0.28 -3.44 -0.05 0.00 0.00 0.00 0.00 23.12 19.91 3bwi s ALA 236 CO -0.01 -0.76 0.81 0.42 0.00 0.00 0.00 175.76 176.22 3bwi s ILE 237 N -1.39 4.68 0.03 0.00 1.01 -1.26 -4.61 121.20 119.66 3bwi s ILE 237 Ca 0.61 1.73 -0.36 0.00 0.00 0.00 0.00 60.65 62.63 3bwi s ILE 237 Cb -0.33 -4.16 -0.15 0.00 0.01 0.00 0.00 42.46 37.82 3bwi s ILE 237 CO 0.42 0.35 1.56 -3.20 0.00 0.00 0.00 174.94 174.07 3bwi n ASN 238 N 2.82 2.53 0.19 3.58 2.85 -1.26 -4.64 115.26 121.33 3bwi n ASN 238 Ca -0.01 1.08 0.12 0.00 -0.11 0.00 0.00 54.58 55.66 3bwi n ASN 238 Cb 0.50 -1.29 0.65 0.00 1.24 0.00 0.00 39.78 40.87 3bwi n ASN 238 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3bwi h PRO 239 N 6.13 0.00 0.00 1.20 0.13 -2.02 0.00 132.00 137.45 3bwi h PRO 239 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3bwi h PRO 239 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 3bwi h PRO 239 CO 0.87 0.00 0.00 0.27 -0.23 0.00 0.00 178.00 178.91 3bwi n ASN 240 N -2.36 0.52 -4.53 1.44 2.04 -1.26 -4.49 115.26 106.63 3bwi n ASN 240 Ca -0.02 0.58 -0.43 0.00 -0.44 0.00 0.00 54.58 54.28 3bwi n ASN 240 Cb 0.10 -0.71 -0.04 0.00 -2.53 0.00 0.00 39.78 36.59 3bwi n ASN 240 CO 0.00 0.00 0.00 -0.13 -0.44 0.00 0.00 177.26 176.69 3bwi s ARG 241 N -3.14 3.35 0.23 -3.83 1.81 -0.01 -5.01 118.95 112.35 3bwi s ARG 241 Ca 0.09 -0.23 0.05 0.00 -1.72 0.00 0.00 55.73 53.92 3bwi s ARG 241 Cb 0.12 -4.03 -0.05 0.00 -0.45 0.00 0.00 34.95 30.54 3bwi s ARG 241 CO 0.48 -1.40 -0.05 0.14 -0.68 0.00 0.00 175.30 173.78 3bwi s VAL 242 N 3.79 1.33 -0.26 3.52 -7.23 -1.26 -1.40 120.40 118.90 3bwi s VAL 242 Ca 0.30 -2.09 -0.07 0.00 -1.81 0.00 0.00 61.98 58.31 3bwi s VAL 242 Cb -0.12 -2.28 -0.02 0.00 0.56 0.00 0.00 36.38 34.51 3bwi s VAL 242 CO 0.20 -0.40 0.07 0.12 -0.31 0.00 0.00 175.10 174.78 3bwi s PHE 243 N -3.22 3.09 -0.88 2.82 5.36 0.17 -4.84 117.98 120.48 3bwi s PHE 243 Ca 0.27 -0.47 -0.25 0.00 -0.96 0.00 0.00 56.93 55.52 3bwi s PHE 243 Cb 0.04 -2.25 -0.00 0.00 -0.34 0.00 0.00 43.02 40.47 3bwi s PHE 243 CO 0.08 -0.38 1.71 -1.59 -1.46 0.00 0.00 175.22 173.58 3bwi s LYS 244 N 1.61 2.96 -0.33 10.12 -2.85 -1.26 -2.23 119.74 127.76 3bwi s LYS 244 Ca 0.06 -0.42 -0.37 0.00 -1.00 0.00 0.00 55.97 54.24 3bwi s LYS 244 Cb -0.15 -4.97 -0.13 0.00 -2.06 0.00 0.00 37.83 30.51 3bwi s LYS 244 CO 0.04 -2.79 2.05 0.28 0.10 0.00 0.00 175.35 175.03 3bwi n VAL 245 N 7.32 0.23 -1.25 1.79 0.31 -1.24 -4.79 118.33 120.70 3bwi n VAL 245 Ca 0.31 -0.17 0.07 0.00 -0.01 0.00 0.00 64.34 64.54 3bwi n VAL 245 Cb 0.49 -1.45 0.09 0.00 -0.91 0.00 0.00 33.84 32.06 3bwi n VAL 245 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 3bwi n ASN 246 N 8.31 1.69 -0.35 4.52 0.23 -1.26 -4.17 115.26 124.24 3bwi n ASN 246 Ca 0.38 -2.72 0.04 0.00 -0.53 0.00 0.00 54.58 51.75 3bwi n ASN 246 Cb 0.18 -0.34 0.10 0.00 -2.08 0.00 0.00 39.78 37.64 3bwi n ASN 246 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 3bwi n THR 247 N -1.00 1.21 -3.36 5.53 -2.24 -1.26 -4.90 114.28 108.25 3bwi n THR 247 Ca 0.11 -1.20 -0.11 0.00 -2.27 0.00 0.00 64.05 60.58 3bwi n THR 247 Cb 0.63 0.36 -0.08 0.00 -2.10 0.00 0.00 70.33 69.14 3bwi n THR 247 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3bwi s ASN 248 N -1.27 0.53 0.54 3.42 3.84 -1.26 -5.04 114.94 115.71 3bwi s ASN 248 Ca 0.16 -0.02 0.28 0.00 0.21 0.00 0.00 52.86 53.50 3bwi s ASN 248 Cb 0.11 0.97 1.44 0.00 -0.55 0.00 0.00 41.25 43.22 3bwi s ASN 248 CO 0.07 -0.32 1.95 0.00 -2.79 0.00 0.00 177.10 176.01 3bwi h ALA 249 N 8.20 2.65 0.02 1.71 0.00 -1.93 -0.76 119.26 129.15 3bwi h ALA 249 Ca -0.17 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.51 3bwi h ALA 249 Cb 1.14 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 3bwi h ALA 249 CO 0.28 -0.86 -0.93 1.88 0.00 0.00 0.00 179.25 179.62 3bwi h TYR 250 N 0.00 0.36 -0.10 0.00 0.05 -1.96 -2.18 116.97 113.15 3bwi h TYR 250 Ca 0.33 -0.21 -0.05 0.00 0.05 0.00 0.00 58.73 58.85 3bwi h TYR 250 Cb 1.33 -0.04 -0.00 0.00 1.01 0.00 0.00 36.73 39.04 3bwi h TYR 250 CO 0.00 1.04 -0.12 1.88 -1.05 0.00 0.00 178.16 179.91 3bwi h TYR 251 N 0.12 0.31 -0.34 4.88 -1.99 -1.54 -3.29 116.97 115.13 3bwi h TYR 251 Ca -0.06 -0.10 0.06 0.00 2.00 0.00 0.00 58.73 60.64 3bwi h TYR 251 Cb 1.58 -0.06 -0.06 0.00 2.00 0.00 0.00 36.73 40.19 3bwi h TYR 251 CO 0.04 0.70 -0.03 0.93 -0.00 0.00 0.00 178.16 179.80 3bwi h GLU 252 N -0.17 0.06 0.00 4.88 5.08 -1.27 -0.86 114.58 122.30 3bwi h GLU 252 Ca 0.01 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3bwi h GLU 252 Cb 0.65 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.89 3bwi h GLU 252 CO 0.03 0.04 0.00 0.00 -1.00 0.00 0.00 179.01 178.08 3bwi n MET 253 N -5.21 0.08 -0.03 2.33 0.00 -0.82 -0.62 117.12 112.85 3bwi n MET 253 Ca 0.01 0.54 0.03 0.00 0.00 0.00 0.00 57.70 58.28 3bwi n MET 253 Cb 0.18 -1.74 0.04 0.00 0.00 0.00 0.00 33.22 31.70 3bwi n MET 253 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 3bwi n SER 254 N -1.91 1.80 -1.64 3.17 2.88 -0.51 -4.98 113.62 112.43 3bwi n SER 254 Ca -0.00 -1.45 -0.19 0.00 -1.33 0.00 0.00 58.87 55.90 3bwi n SER 254 Cb 0.05 -0.03 -0.07 0.00 -0.75 0.00 0.00 64.21 63.41 3bwi n SER 254 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3bwi n GLY 255 N 0.33 1.33 3.74 0.46 0.00 0.21 -4.92 105.19 106.33 3bwi n GLY 255 Ca 0.05 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 3bwi n GLY 255 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bwi s LEU 256 N -4.63 4.36 0.15 0.99 1.43 -0.65 -4.98 118.68 115.35 3bwi s LEU 256 Ca 0.00 2.84 0.11 0.00 -1.03 0.00 0.00 54.13 56.05 3bwi s LEU 256 Cb 0.00 -3.62 -0.04 0.00 0.03 0.00 0.00 46.19 42.56 3bwi s LEU 256 CO 0.00 -0.87 -0.25 -1.61 0.23 0.00 0.00 176.35 173.85 3bwi s GLU 257 N -0.02 1.40 -0.06 1.70 2.02 -1.26 -3.64 118.70 118.84 3bwi s GLU 257 Ca 0.65 -1.40 0.02 0.00 0.02 0.00 0.00 54.97 54.27 3bwi s GLU 257 Cb -0.46 -1.78 0.01 0.00 0.10 0.00 0.00 34.13 31.99 3bwi s GLU 257 CO 0.42 0.40 -0.13 0.08 0.02 0.00 0.00 175.26 176.06 3bwi s VAL 258 N -1.36 1.16 0.58 2.63 1.01 -0.95 -4.93 120.40 118.55 3bwi s VAL 258 Ca 0.16 -0.50 -0.20 0.00 0.00 0.00 0.00 61.98 61.44 3bwi s VAL 258 Cb -0.09 -1.05 -0.04 0.00 0.00 0.00 0.00 36.38 35.20 3bwi s VAL 258 CO 0.07 0.36 1.27 -0.94 0.00 0.00 0.00 175.10 175.87 3bwi s SER 259 N 0.58 5.14 0.33 3.32 1.04 -1.26 0.46 113.70 123.31 3bwi s SER 259 Ca -0.13 2.57 0.05 0.00 0.48 0.00 0.00 55.95 58.91 3bwi s SER 259 Cb -0.15 -2.62 0.59 0.00 0.10 0.00 0.00 66.02 63.94 3bwi s SER 259 CO 0.04 -1.64 1.85 -0.26 0.98 0.00 0.00 173.24 174.21 3bwi h PHE 260 N 1.08 0.50 -0.98 5.02 0.04 -1.55 -2.24 116.94 118.80 3bwi h PHE 260 Ca -0.51 -0.06 0.09 0.00 2.80 0.00 0.00 57.97 60.29 3bwi h PHE 260 Cb 1.31 -0.14 -0.07 0.00 2.20 0.00 0.00 35.95 39.24 3bwi h PHE 260 CO 0.45 0.54 0.63 1.49 -0.60 0.00 0.00 178.31 180.83 3bwi h GLU 261 N 0.45 1.04 -0.23 1.51 4.57 -1.82 0.19 114.58 120.29 3bwi h GLU 261 Ca 0.09 -0.06 -0.20 0.00 -1.18 0.00 0.00 59.36 58.01 3bwi h GLU 261 Cb 0.40 -0.24 0.01 0.00 -0.16 0.00 0.00 28.75 28.76 3bwi h GLU 261 CO 0.02 0.69 -0.64 0.93 -1.18 0.00 0.00 179.01 178.82 3bwi h GLU 262 N 1.07 0.84 -0.70 1.92 4.39 -1.79 -1.97 114.58 118.34 3bwi h GLU 262 Ca 0.45 -0.60 -0.07 0.00 0.34 0.00 0.00 59.36 59.48 3bwi h GLU 262 Cb 0.30 0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.01 3bwi h GLU 262 CO -0.20 1.22 0.17 -0.07 -1.16 0.00 0.00 179.01 178.97 3bwi h LEU 263 N 0.61 1.06 -0.33 1.33 3.38 -0.87 -1.18 115.31 119.30 3bwi h LEU 263 Ca -0.02 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.69 3bwi h LEU 263 Cb 1.26 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 3bwi h LEU 263 CO 0.14 1.02 0.05 -0.09 0.09 0.00 0.00 178.44 179.64 3bwi h ARG 264 N 1.06 0.56 -0.86 1.13 2.43 -0.67 -1.86 114.38 116.17 3bwi h ARG 264 Ca 0.22 -0.15 -0.01 0.00 -0.81 0.00 0.00 59.98 59.23 3bwi h ARG 264 Cb 0.37 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.82 3bwi h ARG 264 CO 0.00 0.65 0.50 1.15 -1.51 0.00 0.00 179.97 180.76 3bwi h THR 265 N 0.38 1.24 -0.29 0.20 2.02 -1.07 -2.47 112.91 112.92 3bwi h THR 265 Ca 0.10 -0.56 -0.07 0.00 0.77 0.00 0.00 66.41 66.65 3bwi h THR 265 Cb 0.36 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.82 3bwi h THR 265 CO 0.01 0.26 -0.09 0.15 0.37 0.00 0.00 175.52 176.22 3bwi h PHE 266 N 1.19 0.65 0.00 3.16 3.57 -1.13 -0.24 116.94 124.13 3bwi h PHE 266 Ca 0.31 -0.15 0.00 0.00 3.53 0.00 0.00 57.97 61.66 3bwi h PHE 266 Cb -0.02 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 38.57 3bwi h PHE 266 CO 0.00 0.78 0.00 0.41 -2.23 0.00 0.00 178.31 177.27 3bwi n GLY 267 N -0.12 -0.17 7.00 2.40 0.00 -0.71 -0.94 105.19 112.64 3bwi n GLY 267 Ca -0.03 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.76 3bwi n GLY 267 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bwi n GLY 268 N 0.00 2.38 0.19 -0.02 0.00 -1.26 -1.94 105.19 104.54 3bwi n GLY 268 Ca 0.00 -0.30 0.07 0.00 0.00 0.00 0.00 46.02 45.78 3bwi n GLY 268 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3bwi h HIS 269 N 0.00 0.00 -1.00 1.61 -0.00 -1.95 -3.13 115.15 110.68 3bwi h HIS 269 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 60.37 60.42 3bwi h HIS 269 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 27.41 27.35 3bwi h HIS 269 CO 0.00 0.34 0.65 -0.44 -0.00 0.00 0.00 177.93 178.48 3bwi h ASP 270 N 0.00 1.07 0.25 3.26 5.19 -1.68 -1.40 116.42 123.11 3bwi h ASP 270 Ca -0.00 -0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.39 3bwi h ASP 270 Cb 0.89 -0.23 -0.00 0.00 0.18 0.00 0.00 39.33 40.16 3bwi h ASP 270 CO 0.04 0.71 -0.08 0.00 -3.12 0.00 0.00 179.24 176.79 3bwi h ALA 271 N 1.44 1.35 0.00 3.45 0.00 -1.42 -2.21 119.26 121.86 3bwi h ALA 271 Ca 0.41 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.25 3bwi h ALA 271 Cb 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3bwi h ALA 271 CO -0.15 0.10 0.00 1.63 0.00 0.00 0.00 179.25 180.83 3bwi n LYS 272 N -3.69 0.15 0.00 0.00 5.02 -0.53 -2.43 118.16 116.68 3bwi n LYS 272 Ca -0.02 0.17 0.14 0.00 -2.02 0.00 0.00 58.31 56.58 3bwi n LYS 272 Cb 0.19 -1.50 0.72 0.00 -0.02 0.00 0.00 35.03 34.41 3bwi n LYS 272 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3bwi n PHE 273 N -1.36 0.00 -3.44 2.13 3.72 -0.83 -4.46 117.46 113.22 3bwi n PHE 273 Ca 0.06 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.03 3bwi n PHE 273 Cb 0.14 -0.30 -0.10 0.00 -0.94 0.00 0.00 39.48 38.29 3bwi n PHE 273 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3bwi s ILE 274 N -2.59 5.24 0.77 4.37 1.01 -1.02 -5.01 121.20 123.97 3bwi s ILE 274 Ca 0.26 -0.69 -0.13 0.00 0.00 0.00 0.00 60.65 60.09 3bwi s ILE 274 Cb 0.19 -3.97 0.06 0.00 0.01 0.00 0.00 42.46 38.76 3bwi s ILE 274 CO 0.44 -0.36 1.17 1.51 0.00 0.00 0.00 174.94 177.70 3bwi s ASP 275 N 1.82 4.06 0.29 3.58 1.47 -1.26 -4.74 116.67 121.88 3bwi s ASP 275 Ca 0.05 2.20 0.03 0.00 1.18 0.00 0.00 52.55 56.02 3bwi s ASP 275 Cb -0.20 -2.57 0.65 0.00 -0.34 0.00 0.00 42.92 40.46 3bwi s ASP 275 CO 0.10 -2.34 1.78 0.28 0.68 0.00 0.00 175.17 175.67 3bwi h SER 276 N -0.72 0.73 0.52 2.11 0.02 -1.97 -0.38 113.55 113.86 3bwi h SER 276 Ca -0.46 0.09 -0.03 0.00 -0.84 0.00 0.00 61.79 60.55 3bwi h SER 276 Cb 1.27 -0.04 0.01 0.00 0.14 0.00 0.00 62.40 63.78 3bwi h SER 276 CO 0.49 0.29 -0.25 -0.07 -1.14 0.00 0.00 176.83 176.15 3bwi h LEU 277 N 0.76 -0.60 -1.29 5.07 3.38 -2.00 -0.97 115.31 119.67 3bwi h LEU 277 Ca 0.53 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.49 3bwi h LEU 277 Cb 0.77 0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 3bwi h LEU 277 CO -0.36 -0.42 0.20 1.56 0.09 0.00 0.00 178.44 179.51 3bwi h GLN 278 N -0.72 0.69 -0.60 1.13 4.20 -1.81 -1.33 115.11 116.67 3bwi h GLN 278 Ca -0.07 -0.09 -0.08 0.00 0.06 0.00 0.00 58.65 58.47 3bwi h GLN 278 Cb 0.55 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.17 3bwi h GLN 278 CO 0.12 0.56 0.07 1.49 -0.67 0.00 0.00 178.83 180.40 3bwi h GLU 279 N 0.68 0.99 -0.54 1.46 4.57 -0.89 -1.87 114.58 118.99 3bwi h GLU 279 Ca 0.17 -0.26 -0.10 0.00 -1.18 0.00 0.00 59.36 57.99 3bwi h GLU 279 Cb 0.13 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.58 3bwi h GLU 279 CO -0.02 0.93 -0.04 -0.91 -1.18 0.00 0.00 179.01 177.79 3bwi h ASN 280 N 0.92 0.97 -0.39 1.04 2.35 -0.51 -1.36 115.58 118.61 3bwi h ASN 280 Ca 0.18 -0.33 0.04 0.00 -0.55 0.00 0.00 56.30 55.65 3bwi h ASN 280 Cb 0.44 -0.26 -0.04 0.00 0.05 0.00 0.00 38.32 38.51 3bwi h ASN 280 CO 0.02 1.06 0.15 -0.08 -1.65 0.00 0.00 177.43 176.92 3bwi h GLU 281 N 0.85 0.30 -0.25 0.81 4.81 -0.88 -0.89 114.58 119.33 3bwi h GLU 281 Ca 0.15 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.33 3bwi h GLU 281 Cb 0.59 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 3bwi h GLU 281 CO 0.04 0.20 0.06 0.74 -0.73 0.00 0.00 179.01 179.31 3bwi h PHE 282 N 0.31 0.41 -0.37 0.92 0.04 -1.17 -1.38 116.94 115.70 3bwi h PHE 282 Ca 0.18 -0.05 0.03 0.00 2.80 0.00 0.00 57.97 60.93 3bwi h PHE 282 Cb 0.15 -0.12 -0.03 0.00 2.20 0.00 0.00 35.95 38.15 3bwi h PHE 282 CO -0.14 0.49 0.17 -0.09 -0.60 0.00 0.00 178.31 178.14 3bwi h ARG 283 N 0.22 0.34 -0.56 1.51 2.43 -0.91 -1.26 114.38 116.15 3bwi h ARG 283 Ca 0.08 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.13 3bwi h ARG 283 Cb 0.29 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.74 3bwi h ARG 283 CO 0.00 0.22 -0.03 1.25 -1.51 0.00 0.00 179.97 179.90 3bwi h LEU 284 N 0.35 0.97 -0.22 3.80 5.85 -1.15 -1.29 115.31 123.62 3bwi h LEU 284 Ca 0.16 -0.28 0.03 0.00 0.84 0.00 0.00 57.88 58.63 3bwi h LEU 284 Cb 0.10 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.84 3bwi h LEU 284 CO -0.13 1.04 0.06 0.22 -0.34 0.00 0.00 178.44 179.29 3bwi h TYR 285 N 0.90 0.10 0.00 1.25 3.20 -0.72 -1.47 116.97 120.24 3bwi h TYR 285 Ca 0.16 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.96 3bwi h TYR 285 Cb 0.57 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.82 3bwi h TYR 285 CO 0.04 0.04 -0.36 1.88 -1.64 0.00 0.00 178.16 178.12 3bwi h TYR 286 N 0.15 0.00 -0.51 -3.82 0.05 -1.15 -2.31 116.97 109.39 3bwi h TYR 286 Ca 0.10 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.84 3bwi h TYR 286 Cb 0.08 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.80 3bwi h TYR 286 CO -0.13 0.36 0.16 -0.92 -1.05 0.00 0.00 178.16 176.57 3bwi h TYR 287 N 0.00 0.82 -0.61 4.88 3.20 -0.68 -1.50 116.97 123.08 3bwi h TYR 287 Ca -0.00 -0.08 -0.10 0.00 3.14 0.00 0.00 58.73 61.69 3bwi h TYR 287 Cb 0.96 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.98 3bwi h TYR 287 CO 0.00 0.71 0.00 -0.91 -1.64 0.00 0.00 178.16 176.32 3bwi h ASN 288 N 0.69 1.04 -0.77 -2.11 2.35 -1.05 -1.70 115.58 114.03 3bwi h ASN 288 Ca 0.16 -0.29 0.00 0.00 -0.55 0.00 0.00 56.30 55.62 3bwi h ASN 288 Cb 0.28 -0.28 -0.04 0.00 0.05 0.00 0.00 38.32 38.33 3bwi h ASN 288 CO -0.00 1.08 0.48 0.11 -1.65 0.00 0.00 177.43 177.45 3bwi h LYS 289 N 0.97 1.03 -0.14 0.81 1.79 -1.10 -0.37 116.57 119.56 3bwi h LYS 289 Ca 0.17 -0.08 -0.09 0.00 -2.18 0.00 0.00 60.65 58.47 3bwi h LYS 289 Cb 0.55 -0.22 -0.01 0.00 -1.58 0.00 0.00 32.23 30.96 3bwi h LYS 289 CO 0.03 0.71 -0.32 0.74 -1.08 0.00 0.00 179.45 179.53 3bwi h PHE 290 N 1.06 0.32 -0.57 -1.35 -1.00 -0.85 -2.27 116.94 112.28 3bwi h PHE 290 Ca 0.28 -0.07 -0.09 0.00 2.81 0.00 0.00 57.97 60.90 3bwi h PHE 290 Cb -0.07 -0.08 -0.02 0.00 3.61 0.00 0.00 35.95 39.39 3bwi h PHE 290 CO 0.00 0.58 0.00 0.87 -1.61 0.00 0.00 178.31 178.15 3bwi h LYS 291 N 0.25 1.00 -0.79 1.51 1.57 -0.21 -1.34 116.57 118.56 3bwi h LYS 291 Ca 0.03 -0.32 -0.02 0.00 -1.87 0.00 0.00 60.65 58.47 3bwi h LYS 291 Cb 0.70 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.88 3bwi h LYS 291 CO 0.05 1.00 0.40 -0.44 -0.57 0.00 0.00 179.45 179.88 3bwi h ASP 292 N 0.89 1.00 -0.55 0.86 3.32 -0.74 -1.04 116.42 120.16 3bwi h ASP 292 Ca 0.16 -0.10 -0.11 0.00 0.02 0.00 0.00 57.03 57.00 3bwi h ASP 292 Cb 0.54 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 3bwi h ASP 292 CO 0.03 0.83 -0.09 0.40 -1.72 0.00 0.00 179.24 178.69 3bwi h ILE 293 N 1.11 1.27 -0.82 0.35 2.04 -1.15 -0.67 117.51 119.64 3bwi h ILE 293 Ca 0.27 -1.25 -0.04 0.00 1.00 0.00 0.00 64.86 64.84 3bwi h ILE 293 Cb 0.08 0.95 -0.04 0.00 -0.74 0.00 0.00 36.82 37.07 3bwi h ILE 293 CO -0.04 0.44 0.36 0.00 0.00 0.00 0.00 178.15 178.92 3bwi h ALA 294 N 0.93 1.09 -0.22 1.87 0.00 -0.71 -1.51 119.26 120.72 3bwi h ALA 294 Ca 0.14 -0.18 -0.17 0.00 0.00 0.00 0.00 54.91 54.71 3bwi h ALA 294 Cb 0.66 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 3bwi h ALA 294 CO 0.05 0.67 -0.53 0.66 0.00 0.00 0.00 179.25 180.09 3bwi h SER 295 N 1.19 0.72 -0.55 0.00 4.64 -0.99 -2.15 113.55 116.41 3bwi h SER 295 Ca 0.28 -0.38 -0.03 0.00 -0.47 0.00 0.00 61.79 61.19 3bwi h SER 295 Cb 0.17 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 62.02 3bwi h SER 295 CO -0.03 1.11 0.24 0.74 -0.87 0.00 0.00 176.83 178.03 3bwi h THR 296 N 0.50 1.21 0.00 2.95 2.02 -0.76 -0.22 112.91 118.61 3bwi h THR 296 Ca 0.01 -0.64 -0.11 0.00 0.77 0.00 0.00 66.41 66.44 3bwi h THR 296 Cb 1.09 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.98 3bwi h THR 296 CO 0.11 0.25 -0.55 -0.07 0.37 0.00 0.00 175.52 175.64 3bwi h LEU 297 N 0.84 0.00 -0.35 2.58 3.38 -1.08 -2.74 115.31 117.94 3bwi h LEU 297 Ca 0.20 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.98 3bwi h LEU 297 Cb 0.15 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 3bwi h LEU 297 CO -0.02 0.55 -0.64 0.78 0.09 0.00 0.00 178.44 179.20 3bwi h ASN 298 N 0.00 0.77 -0.05 -0.43 2.35 -0.60 -3.03 115.58 114.60 3bwi h ASN 298 Ca -0.01 -0.45 0.00 0.00 -0.55 0.00 0.00 56.30 55.29 3bwi h ASN 298 Cb 0.97 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 39.12 3bwi h ASN 298 CO 0.07 1.21 0.00 0.29 -1.65 0.00 0.00 177.43 177.35 3bwi n LYS 299 N -3.94 1.13 -3.19 0.81 5.02 -0.20 -4.84 118.16 112.95 3bwi n LYS 299 Ca -0.05 -0.20 -0.39 0.00 -2.02 0.00 0.00 58.31 55.65 3bwi n LYS 299 Cb 0.66 -1.15 -0.05 0.00 -0.02 0.00 0.00 35.03 34.47 3bwi n LYS 299 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3bwi s ALA 300 N -1.94 3.46 0.00 7.82 0.00 -1.05 -4.01 121.76 126.03 3bwi s ALA 300 Ca 0.14 0.03 0.00 0.00 0.00 0.00 0.00 51.96 52.12 3bwi s ALA 300 Cb 0.07 -2.77 0.00 0.00 0.00 0.00 0.00 23.12 20.41 3bwi s ALA 300 CO 0.10 0.10 0.00 1.63 0.00 0.00 0.00 175.76 177.59 3bwi n LYS 301 N 3.00 3.43 -4.28 0.00 4.01 0.18 -5.01 118.16 119.49 3bwi n LYS 301 Ca -0.06 0.00 -0.15 0.00 -0.51 0.00 0.00 58.31 57.59 3bwi n LYS 301 Cb 0.51 -0.62 -0.10 0.00 -0.51 0.00 0.00 35.03 34.31 3bwi n LYS 301 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 3bwi s SER 302 N -0.75 1.17 -0.06 4.39 1.04 -0.36 -5.02 113.70 114.11 3bwi s SER 302 Ca 0.00 -1.29 -0.12 0.00 0.48 0.00 0.00 55.95 55.02 3bwi s SER 302 Cb 0.00 0.15 0.02 0.00 0.10 0.00 0.00 66.02 66.29 3bwi s SER 302 CO 0.00 -0.66 0.29 -0.51 0.98 0.00 0.00 173.24 173.34 3bwi s ILE 303 N -3.72 0.03 0.03 -1.02 2.07 -1.26 -1.38 121.20 115.95 3bwi s ILE 303 Ca 0.32 -0.27 -0.17 0.00 -1.41 0.00 0.00 60.65 59.12 3bwi s ILE 303 Cb 0.07 -0.50 -0.06 0.00 0.13 0.00 0.00 42.46 42.10 3bwi s ILE 303 CO 0.09 -0.15 0.47 -0.69 -1.91 0.00 0.00 174.94 172.76 3bwi s VAL 304 N -0.60 4.92 0.00 4.00 1.01 -0.90 -4.92 120.40 123.91 3bwi s VAL 304 Ca -0.07 0.99 0.00 0.00 0.00 0.00 0.00 61.98 62.90 3bwi s VAL 304 Cb -0.04 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.56 3bwi s VAL 304 CO 0.02 0.57 0.00 0.61 0.00 0.00 0.00 175.10 176.30 3bwi n GLY 305 N 1.79 -0.25 0.20 4.51 0.00 -1.26 -4.80 105.19 105.38 3bwi n GLY 305 Ca -0.13 -1.79 0.06 0.00 0.00 0.00 0.00 46.02 44.17 3bwi n GLY 305 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3bwi n THR 306 N -0.22 1.24 1.05 2.61 -2.24 -1.26 -4.69 114.28 110.76 3bwi n THR 306 Ca 0.00 -1.48 0.13 0.00 -2.27 0.00 0.00 64.05 60.43 3bwi n THR 306 Cb 0.00 0.03 0.60 0.00 -2.10 0.00 0.00 70.33 68.86 3bwi n THR 306 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3bwi n THR 307 N -0.93 0.20 -3.64 4.28 -2.24 -1.26 -4.86 114.28 105.82 3bwi n THR 307 Ca 0.10 0.05 -0.02 0.00 -2.27 0.00 0.00 64.05 61.91 3bwi n THR 307 Cb 0.65 -0.61 -0.03 0.00 -2.10 0.00 0.00 70.33 68.24 3bwi n THR 307 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3bwi s ALA 308 N -2.80 -2.16 0.43 6.98 0.00 -1.26 -5.14 121.76 117.81 3bwi s ALA 308 Ca 0.18 1.88 -0.04 0.00 0.00 0.00 0.00 51.96 53.97 3bwi s ALA 308 Cb 0.17 -0.72 -0.04 0.00 0.00 0.00 0.00 23.12 22.53 3bwi s ALA 308 CO 0.44 -0.46 0.72 -1.54 0.00 0.00 0.00 175.76 174.92 3bwi s SER 309 N -1.72 6.31 0.22 0.00 1.04 -1.26 -4.94 113.70 113.34 3bwi s SER 309 Ca 0.11 0.83 -0.08 0.00 0.48 0.00 0.00 55.95 57.29 3bwi s SER 309 Cb -0.01 -2.20 0.34 0.00 0.10 0.00 0.00 66.02 64.25 3bwi s SER 309 CO -0.04 -0.47 1.74 0.25 0.98 0.00 0.00 173.24 175.69 3bwi h LEU 310 N 0.54 0.23 -1.27 2.42 5.85 -1.94 -0.46 115.31 120.69 3bwi h LEU 310 Ca -0.48 0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.28 3bwi h LEU 310 Cb 1.20 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.29 3bwi h LEU 310 CO 0.62 0.12 -0.04 1.56 -0.34 0.00 0.00 178.44 180.36 3bwi h GLN 311 N 0.42 0.45 -0.27 1.25 1.08 -1.99 -0.93 115.11 115.11 3bwi h GLN 311 Ca 0.34 -0.10 -0.08 0.00 -1.45 0.00 0.00 58.65 57.37 3bwi h GLN 311 Cb 0.46 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.82 3bwi h GLN 311 CO -0.35 0.51 -0.13 -0.92 -0.95 0.00 0.00 178.83 177.00 3bwi h TYR 312 N 0.43 0.65 -0.28 2.96 3.20 -1.49 -2.63 116.97 119.82 3bwi h TYR 312 Ca 0.09 -0.16 -0.18 0.00 3.14 0.00 0.00 58.73 61.62 3bwi h TYR 312 Cb 0.35 -0.15 -0.00 0.00 1.54 0.00 0.00 36.73 38.46 3bwi h TYR 312 CO 0.01 0.81 -0.53 0.52 -1.64 0.00 0.00 178.16 177.33 3bwi h MET 313 N 0.30 0.82 -0.88 1.82 2.86 -1.20 -1.21 114.93 117.45 3bwi h MET 313 Ca 0.06 -0.51 0.06 0.00 -2.06 0.00 0.00 59.70 57.25 3bwi h MET 313 Cb 0.64 0.05 -0.06 0.00 0.06 0.00 0.00 31.60 32.29 3bwi h MET 313 CO 0.04 1.14 0.57 0.87 1.06 0.00 0.00 176.91 180.59 3bwi h LYS 314 N 0.63 0.98 -0.11 1.72 1.57 -1.18 -1.38 116.57 118.81 3bwi h LYS 314 Ca 0.02 -0.06 -0.22 0.00 -1.87 0.00 0.00 60.65 58.52 3bwi h LYS 314 Cb 1.12 -0.22 0.01 0.00 0.08 0.00 0.00 32.23 33.22 3bwi h LYS 314 CO 0.11 0.65 -0.79 -0.97 -0.57 0.00 0.00 179.45 177.88 3bwi h ASN 315 N 1.01 0.78 -0.30 0.86 -0.73 -1.31 -1.90 115.58 113.99 3bwi h ASN 315 Ca 0.37 -0.53 -0.01 0.00 1.87 0.00 0.00 56.30 58.01 3bwi h ASN 315 Cb 0.17 -0.23 -0.02 0.00 0.27 0.00 0.00 38.32 38.51 3bwi h ASN 315 CO -0.13 1.31 0.16 1.62 -0.37 0.00 0.00 177.43 180.02 3bwi h VAL 316 N 0.43 1.12 0.00 2.57 3.04 -0.31 -0.85 116.25 122.25 3bwi h VAL 316 Ca -0.05 -0.32 0.00 0.00 -1.01 0.00 0.00 66.70 65.31 3bwi h VAL 316 Cb 1.41 0.69 0.00 0.00 -2.01 0.00 0.00 31.29 31.38 3bwi h VAL 316 CO 0.15 0.13 -0.72 -0.26 -1.01 0.00 0.00 177.57 175.87 3bwi h PHE 317 N 0.46 0.00 -0.16 3.17 0.04 -1.25 -2.55 116.94 116.64 3bwi h PHE 317 Ca 0.12 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.77 3bwi h PHE 317 Cb 0.05 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.19 3bwi h PHE 317 CO 0.00 0.00 -0.42 -0.22 -0.60 0.00 0.00 178.31 177.07 3bwi h LYS 318 N 0.00 0.38 -0.03 1.51 3.64 -0.40 -2.23 116.57 119.44 3bwi h LYS 318 Ca 0.00 -0.19 -0.11 0.00 -1.27 0.00 0.00 60.65 59.08 3bwi h LYS 318 Cb 0.98 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.81 3bwi h LYS 318 CO 0.00 0.74 -0.40 0.93 -2.27 0.00 0.00 179.45 178.45 3bwi h GLU 319 N 0.31 0.33 0.11 1.90 5.08 -1.19 -0.57 114.58 120.56 3bwi h GLU 319 Ca 0.03 -0.31 0.01 0.00 -1.00 0.00 0.00 59.36 58.08 3bwi h GLU 319 Cb 0.87 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.18 3bwi h GLU 319 CO 0.07 0.98 -0.14 -0.22 -1.00 0.00 0.00 179.01 178.70 3bwi h LYS 320 N -0.21 -0.28 -0.12 2.33 3.64 -1.38 -2.75 116.57 117.80 3bwi h LYS 320 Ca -0.04 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3bwi h LYS 320 Cb 1.09 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 3bwi h LYS 320 CO 0.08 -0.19 0.00 0.66 -2.27 0.00 0.00 179.45 177.73 3bwi n TYR 321 N -5.26 0.16 -3.95 1.91 4.01 -0.85 -4.93 117.16 108.24 3bwi n TYR 321 Ca -0.07 -0.08 -0.30 0.00 -0.16 0.00 0.00 57.90 57.29 3bwi n TYR 321 Cb 0.18 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.23 3bwi n TYR 321 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3bwi n LEU 322 N 0.14 -2.45 -4.74 7.72 4.77 -0.63 -4.90 117.00 116.91 3bwi n LEU 322 Ca 0.16 -0.84 -0.30 0.00 -0.03 0.00 0.00 56.01 55.01 3bwi n LEU 322 Cb 0.29 -2.47 0.13 0.00 -2.33 0.00 0.00 43.42 39.04 3bwi n LEU 322 CO 0.13 0.43 0.68 -0.76 -1.33 0.00 0.00 177.39 176.54 3bwi s LEU 323 N -7.20 2.28 0.13 2.23 1.43 -0.32 -4.73 118.68 112.49 3bwi s LEU 323 Ca 0.57 1.40 0.07 0.00 -1.03 0.00 0.00 54.13 55.14 3bwi s LEU 323 Cb -0.29 -3.85 -0.04 0.00 0.03 0.00 0.00 46.19 42.04 3bwi s LEU 323 CO 0.85 -2.52 -0.05 -0.44 0.23 0.00 0.00 176.35 174.42 3bwi s SER 324 N -3.56 4.66 -0.11 2.29 0.01 -0.37 -4.92 113.70 111.71 3bwi s SER 324 Ca 0.63 -0.35 0.00 0.00 1.31 0.00 0.00 55.95 57.54 3bwi s SER 324 Cb -0.17 -0.97 0.02 0.00 0.21 0.00 0.00 66.02 65.11 3bwi s SER 324 CO 0.56 0.15 -0.09 -0.70 0.41 0.00 0.00 173.24 173.56 3bwi s GLU 325 N -2.49 1.67 0.81 12.44 2.12 -1.26 -1.20 118.70 130.80 3bwi s GLU 325 Ca 0.24 -0.33 -0.10 0.00 0.36 0.00 0.00 54.97 55.15 3bwi s GLU 325 Cb -0.11 -1.63 0.12 0.00 0.26 0.00 0.00 34.13 32.77 3bwi s GLU 325 CO 0.16 -0.21 1.15 0.16 -0.54 0.00 0.00 175.26 175.98 3bwi s ASP 326 N 1.49 4.15 0.50 -1.70 1.47 -0.72 -4.90 116.67 116.97 3bwi s ASP 326 Ca 0.02 0.37 0.24 0.00 1.18 0.00 0.00 52.55 54.36 3bwi s ASP 326 Cb -0.13 -0.76 1.32 0.00 -0.34 0.00 0.00 42.92 43.01 3bwi s ASP 326 CO -0.06 -2.06 1.93 0.71 0.68 0.00 0.00 175.17 176.36 3bwi h THR 327 N -1.02 0.68 0.00 2.11 1.35 -2.01 0.10 112.91 114.12 3bwi h THR 327 Ca -0.44 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 3bwi h THR 327 Cb 1.29 0.53 0.00 0.00 -1.73 0.00 0.00 68.15 68.24 3bwi h THR 327 CO 0.52 0.02 0.00 -1.20 -0.25 0.00 0.00 175.52 174.62 3bwi n SER 328 N -4.38 0.00 -0.81 5.36 7.64 -1.26 -4.86 113.62 115.31 3bwi n SER 328 Ca 0.15 -1.50 -0.08 0.00 1.01 0.00 0.00 58.87 58.46 3bwi n SER 328 Cb 0.72 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.91 3bwi n SER 328 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3bwi n GLY 329 N 0.63 0.24 3.77 0.23 0.00 0.36 -5.03 105.19 105.40 3bwi n GLY 329 Ca 0.09 -0.60 -0.36 0.00 0.00 0.00 0.00 46.02 45.16 3bwi n GLY 329 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bwi s LYS 330 N -4.02 3.21 0.12 1.61 3.01 -1.25 -4.90 119.74 117.52 3bwi s LYS 330 Ca 0.00 -0.28 -0.10 0.00 -1.01 0.00 0.00 55.97 54.58 3bwi s LYS 330 Cb 0.00 -2.98 -0.06 0.00 -1.01 0.00 0.00 37.83 33.77 3bwi s LYS 330 CO 0.00 0.73 0.45 -0.06 0.51 0.00 0.00 175.35 176.98 3bwi s PHE 331 N -0.93 3.56 0.15 3.18 0.08 -1.26 -1.75 117.98 121.01 3bwi s PHE 331 Ca 0.14 0.84 -0.10 0.00 0.12 0.00 0.00 56.93 57.93 3bwi s PHE 331 Cb -0.12 -2.21 -0.00 0.00 -0.57 0.00 0.00 43.02 40.13 3bwi s PHE 331 CO 0.03 0.46 0.30 -1.54 -0.10 0.00 0.00 175.22 174.37 3bwi s SER 332 N -1.88 0.01 -0.22 1.36 1.04 -0.34 -4.69 113.70 108.98 3bwi s SER 332 Ca 0.36 -0.76 -0.09 0.00 0.48 0.00 0.00 55.95 55.94 3bwi s SER 332 Cb -0.14 0.43 -0.05 0.00 0.10 0.00 0.00 66.02 66.37 3bwi s SER 332 CO 0.19 -0.88 0.12 -0.69 0.98 0.00 0.00 173.24 172.96 3bwi s VAL 333 N -3.93 5.09 -0.12 5.02 1.01 -1.26 -1.23 120.40 124.97 3bwi s VAL 333 Ca 0.13 0.08 -0.19 0.00 0.00 0.00 0.00 61.98 62.00 3bwi s VAL 333 Cb 0.03 -3.34 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 3bwi s VAL 333 CO -0.03 0.40 0.53 -0.62 0.00 0.00 0.00 175.10 175.38 3bwi s ASP 334 N 0.78 6.72 0.18 3.32 2.15 -1.26 -4.98 116.67 123.58 3bwi s ASP 334 Ca 0.06 0.86 -0.14 0.00 0.43 0.00 0.00 52.55 53.77 3bwi s ASP 334 Cb -0.13 -2.31 0.13 0.00 -0.30 0.00 0.00 42.92 40.31 3bwi s ASP 334 CO 0.02 -0.06 1.76 0.50 -0.17 0.00 0.00 175.17 177.22 3bwi h LYS 335 N 6.87 0.36 -0.24 4.34 3.64 -1.98 0.90 116.57 130.46 3bwi h LYS 335 Ca -0.39 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 58.96 3bwi h LYS 335 Cb 1.18 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.90 3bwi h LYS 335 CO 0.75 0.24 0.15 -0.07 -2.27 0.00 0.00 179.45 178.25 3bwi h LEU 336 N 0.37 0.29 -0.90 5.20 3.38 -1.99 -0.27 115.31 121.40 3bwi h LEU 336 Ca 0.21 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 58.05 3bwi h LEU 336 Cb 0.19 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3bwi h LEU 336 CO -0.20 0.25 -0.13 0.11 0.09 0.00 0.00 178.44 178.56 3bwi h LYS 337 N 0.31 0.67 -0.03 1.13 1.57 -1.87 -1.59 116.57 116.77 3bwi h LYS 337 Ca 0.09 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 3bwi h LYS 337 Cb 0.01 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.26 3bwi h LYS 337 CO -0.02 0.77 -0.01 0.35 -0.57 0.00 0.00 179.45 179.98 3bwi h PHE 338 N 0.61 0.06 -0.62 -1.35 3.57 -0.57 -1.74 116.94 116.90 3bwi h PHE 338 Ca 0.10 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.61 3bwi h PHE 338 Cb 0.57 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.27 3bwi h PHE 338 CO 0.03 0.41 0.41 -0.44 -2.23 0.00 0.00 178.31 176.48 3bwi h ASP 339 N -0.31 0.67 -0.23 0.41 3.32 -0.97 0.15 116.42 119.46 3bwi h ASP 339 Ca 0.01 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 3bwi h ASP 339 Cb 0.39 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 3bwi h ASP 339 CO 0.00 0.47 -0.01 0.50 -1.72 0.00 0.00 179.24 178.49 3bwi h LYS 340 N 0.78 0.41 -0.12 3.56 3.64 -1.18 -0.46 116.57 123.20 3bwi h LYS 340 Ca 0.24 -0.13 -0.03 0.00 -1.27 0.00 0.00 60.65 59.45 3bwi h LYS 340 Cb -0.01 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 31.77 3bwi h LYS 340 CO -0.06 0.60 -0.05 1.25 -2.27 0.00 0.00 179.45 178.92 3bwi h LEU 341 N 0.17 0.24 -0.62 5.20 5.85 -0.90 -1.12 115.31 124.13 3bwi h LEU 341 Ca 0.06 -0.40 0.05 0.00 0.84 0.00 0.00 57.88 58.43 3bwi h LEU 341 Cb 0.42 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.33 3bwi h LEU 341 CO 0.01 0.59 0.35 0.22 -0.34 0.00 0.00 178.44 179.28 3bwi h TYR 342 N -0.11 0.65 -0.49 1.25 3.20 -0.73 -1.18 116.97 119.57 3bwi h TYR 342 Ca 0.03 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.80 3bwi h TYR 342 Cb 0.50 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.55 3bwi h TYR 342 CO 0.06 0.33 -0.15 -0.22 -1.64 0.00 0.00 178.16 176.54 3bwi h LYS 343 N 0.67 0.96 0.04 1.82 3.64 -1.04 -1.88 116.57 120.78 3bwi h LYS 343 Ca 0.27 -0.37 0.02 0.00 -1.27 0.00 0.00 60.65 59.30 3bwi h LYS 343 Cb 0.12 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 3bwi h LYS 343 CO -0.15 1.04 -0.14 1.98 -2.27 0.00 0.00 179.45 179.90 3bwi h MET 344 N 0.84 -0.26 0.00 1.90 4.05 -0.55 0.48 114.93 121.40 3bwi h MET 344 Ca 0.12 0.02 -0.05 0.00 -0.28 0.00 0.00 59.70 59.52 3bwi h MET 344 Cb 0.71 0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 31.56 3bwi h MET 344 CO 0.05 -0.17 -0.22 -0.07 0.23 0.00 0.00 176.91 176.74 3bwi h LEU 345 N -0.27 0.00 0.00 3.39 3.38 -1.16 -1.95 115.31 118.70 3bwi h LEU 345 Ca 0.04 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.78 3bwi h LEU 345 Cb 0.30 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 3bwi h LEU 345 CO -0.11 0.22 -1.86 0.35 0.09 0.00 0.00 178.44 177.13 3bwi n THR 346 N -3.75 0.86 -0.06 0.22 -2.24 -0.71 -4.50 114.28 104.09 3bwi n THR 346 Ca -0.01 -0.50 -0.08 0.00 -2.27 0.00 0.00 64.05 61.18 3bwi n THR 346 Cb 0.32 -0.72 -0.08 0.00 -2.10 0.00 0.00 70.33 67.75 3bwi n THR 346 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3bwi n GLU 347 N -2.53 1.27 0.03 -0.78 1.02 0.16 -4.68 120.64 115.14 3bwi n GLU 347 Ca -0.21 0.04 -0.19 0.00 -0.02 0.00 0.00 57.16 56.77 3bwi n GLU 347 Cb 0.89 -1.29 -0.14 0.00 -0.02 0.00 0.00 31.44 30.88 3bwi n GLU 347 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3bwi h ILE 348 N 0.00 1.51 -2.17 -3.67 1.08 -1.28 -3.40 117.51 109.58 3bwi h ILE 348 Ca -0.32 -2.41 -0.66 0.00 -0.39 0.00 0.00 64.86 61.08 3bwi h ILE 348 Cb 1.61 3.07 -0.15 0.00 -3.07 0.00 0.00 36.82 38.27 3bwi h ILE 348 CO -0.02 0.68 0.93 -0.31 -0.69 0.00 0.00 178.15 178.75 3bwi s TYR 349 N -2.62 2.92 0.06 1.37 2.02 -0.75 -4.82 117.35 115.54 3bwi s TYR 349 Ca -0.14 -1.14 0.00 0.00 -0.37 0.00 0.00 57.07 55.42 3bwi s TYR 349 Cb 0.01 -4.37 -0.04 0.00 -0.40 0.00 0.00 41.96 37.16 3bwi s TYR 349 CO 0.82 -1.61 -0.04 0.95 -1.57 0.00 0.00 175.55 174.09 3bwi s THR 350 N 3.40 0.39 0.16 -0.71 -4.23 -1.26 -4.69 115.64 108.69 3bwi s THR 350 Ca 0.34 -1.76 -0.16 0.00 -1.18 0.00 0.00 61.69 58.93 3bwi s THR 350 Cb -0.06 -1.45 0.02 0.00 1.34 0.00 0.00 72.50 72.36 3bwi s THR 350 CO -0.06 -0.90 1.79 -0.08 -0.54 0.00 0.00 174.62 174.83 3bwi h GLU 351 N 3.24 0.44 -1.00 3.99 4.81 -0.74 -2.29 114.58 123.04 3bwi h GLU 351 Ca -0.34 -0.03 0.06 0.00 -0.13 0.00 0.00 59.36 58.92 3bwi h GLU 351 Cb 1.16 -0.10 -0.07 0.00 0.63 0.00 0.00 28.75 30.37 3bwi h GLU 351 CO 0.63 0.29 0.65 0.22 -0.73 0.00 0.00 179.01 180.07 3bwi h ASP 352 N 0.46 1.04 0.03 1.04 3.58 -1.30 -1.72 116.42 119.54 3bwi h ASP 352 Ca 0.16 0.01 -0.13 0.00 0.42 0.00 0.00 57.03 57.49 3bwi h ASP 352 Cb 0.03 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 40.86 3bwi h ASP 352 CO -0.09 0.67 -0.43 0.78 -2.88 0.00 0.00 179.24 177.28 3bwi h ASN 353 N 1.18 0.53 0.00 2.28 2.35 -1.72 -2.86 115.58 117.35 3bwi h ASN 353 Ca 0.43 -0.24 -0.06 0.00 -0.55 0.00 0.00 56.30 55.87 3bwi h ASN 353 Cb 0.16 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 3bwi h ASN 353 CO -0.17 0.90 -0.17 -0.26 -1.65 0.00 0.00 177.43 176.08 3bwi h PHE 354 N 0.41 0.34 -0.87 1.19 0.04 -0.80 -1.96 116.94 115.29 3bwi h PHE 354 Ca 0.03 -0.05 -0.01 0.00 2.80 0.00 0.00 57.97 60.74 3bwi h PHE 354 Cb 0.93 -0.09 -0.04 0.00 2.20 0.00 0.00 35.95 38.94 3bwi h PHE 354 CO 0.03 0.48 0.50 0.28 -0.60 0.00 0.00 178.31 179.00 3bwi h VAL 355 N 0.30 1.25 -0.73 -0.55 2.07 -1.12 0.50 116.25 117.97 3bwi h VAL 355 Ca 0.06 -0.58 -0.05 0.00 0.82 0.00 0.00 66.70 66.95 3bwi h VAL 355 Cb 0.48 0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.27 3bwi h VAL 355 CO 0.03 0.27 0.27 0.11 0.02 0.00 0.00 177.57 178.27 3bwi h LYS 356 N 1.21 1.10 -0.13 1.57 1.57 -1.24 -0.58 116.57 120.06 3bwi h LYS 356 Ca 0.31 -0.20 -0.21 0.00 -1.87 0.00 0.00 60.65 58.68 3bwi h LYS 356 Cb -0.01 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.13 3bwi h LYS 356 CO -0.05 0.90 -0.74 0.74 -0.57 0.00 0.00 179.45 179.73 3bwi h PHE 357 N 1.07 0.88 0.00 -1.35 -1.00 -0.92 -3.17 116.94 112.45 3bwi h PHE 357 Ca 0.24 -0.38 0.00 0.00 2.81 0.00 0.00 57.97 60.64 3bwi h PHE 357 Cb 0.23 -0.14 0.00 0.00 3.61 0.00 0.00 35.95 39.66 3bwi h PHE 357 CO 0.02 1.18 -0.01 1.19 -1.61 0.00 0.00 178.31 179.09 3bwi n PHE 358 N -3.90 0.79 -3.59 -0.55 3.72 0.10 -4.94 117.46 109.09 3bwi n PHE 358 Ca -0.06 0.23 -0.21 0.00 -0.05 0.00 0.00 57.45 57.36 3bwi n PHE 358 Cb 0.72 -0.87 0.06 0.00 -0.94 0.00 0.00 39.48 38.45 3bwi n PHE 358 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3bwi n LYS 359 N -2.15 -6.13 -4.54 -1.08 4.76 -0.24 -4.99 118.16 103.80 3bwi n LYS 359 Ca 0.06 0.75 -0.27 0.00 -2.87 0.00 0.00 58.31 55.98 3bwi n LYS 359 Cb 0.42 -5.60 -0.10 0.00 -1.84 0.00 0.00 35.03 27.90 3bwi n LYS 359 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 3bwi s VAL 360 N -3.46 2.18 0.16 -0.18 -7.23 -1.19 -4.98 120.40 105.70 3bwi s VAL 360 Ca 0.14 -2.08 -0.14 0.00 -1.81 0.00 0.00 61.98 58.09 3bwi s VAL 360 Cb -0.07 -2.82 -0.07 0.00 0.56 0.00 0.00 36.38 33.98 3bwi s VAL 360 CO 0.77 -0.11 0.56 -0.22 -0.31 0.00 0.00 175.10 175.79 3bwi s LEU 361 N -3.67 4.32 0.20 1.32 2.96 -1.26 -4.88 118.68 117.66 3bwi s LEU 361 Ca 0.34 1.08 -0.21 0.00 -0.22 0.00 0.00 54.13 55.12 3bwi s LEU 361 Cb 0.05 -3.34 0.05 0.00 0.50 0.00 0.00 46.19 43.45 3bwi s LEU 361 CO 0.18 0.08 0.62 0.21 -1.32 0.00 0.00 176.35 176.11 3bwi s ASN 362 N -1.79 -0.42 0.46 3.68 3.84 -1.26 -4.64 114.94 114.81 3bwi s ASN 362 Ca 0.39 -0.26 -0.24 0.00 0.21 0.00 0.00 52.86 52.96 3bwi s ASN 362 Cb -0.15 0.63 -0.09 0.00 -0.55 0.00 0.00 41.25 41.10 3bwi s ASN 362 CO 0.19 -1.09 1.17 -2.11 -2.79 0.00 0.00 177.10 172.48 3bwi n ARG 363 N -0.39 1.61 0.06 0.43 1.85 -1.26 -4.88 116.66 114.08 3bwi n ARG 363 Ca -0.12 0.58 0.12 0.00 -1.00 0.00 0.00 57.85 57.43 3bwi n ARG 363 Cb 0.63 -2.29 0.26 0.00 -1.05 0.00 0.00 32.46 30.00 3bwi n ARG 363 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 3bwi n LYS 364 N -0.20 0.23 -3.62 2.89 4.76 -1.26 -4.91 118.16 116.05 3bwi n LYS 364 Ca 0.09 0.09 -0.12 0.00 -2.87 0.00 0.00 58.31 55.50 3bwi n LYS 364 Cb 0.41 -1.67 -0.05 0.00 -1.84 0.00 0.00 35.03 31.88 3bwi n LYS 364 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 3bwi s THR 365 N -3.12 0.05 -0.24 -0.18 -1.32 -1.26 -4.88 115.64 104.69 3bwi s THR 365 Ca 0.08 -0.42 0.22 0.00 -1.21 0.00 0.00 61.69 60.36 3bwi s THR 365 Cb 0.14 -1.03 0.26 0.00 -1.51 0.00 0.00 72.50 70.36 3bwi s THR 365 CO 0.68 -0.23 1.63 0.22 -2.21 0.00 0.00 174.62 174.71 3bwi h TYR 366 N 2.68 0.00 -0.71 9.09 3.20 -1.96 -3.36 116.97 125.91 3bwi h TYR 366 Ca -0.32 0.00 -0.72 0.00 3.14 0.00 0.00 58.73 60.83 3bwi h TYR 366 Cb 1.23 0.00 -0.07 0.00 1.54 0.00 0.00 36.73 39.43 3bwi h TYR 366 CO 0.36 0.16 2.88 1.28 -1.64 0.00 0.00 178.16 181.20 3bwi n LEU 367 N -3.16 7.95 0.00 2.82 4.77 -1.26 -4.86 117.00 123.26 3bwi n LEU 367 Ca 0.03 -4.62 0.00 0.00 -0.03 0.00 0.00 56.01 51.39 3bwi n LEU 367 Cb 0.55 -1.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.17 3bwi n LEU 367 CO 0.35 1.87 0.00 -0.46 -1.33 0.00 0.00 177.39 177.82 3bwi n ASN 368 N 3.07 1.05 -4.12 -1.43 6.94 -1.26 -4.81 115.26 114.69 3bwi n ASN 368 Ca 0.63 -0.55 -0.25 0.00 -0.02 0.00 0.00 54.58 54.39 3bwi n ASN 368 Cb 0.27 0.00 -0.16 0.00 -2.36 0.00 0.00 39.78 37.54 3bwi n ASN 368 CO 0.00 0.00 0.00 -0.36 -1.03 0.00 0.00 177.26 175.87 3bwi s PHE 369 N -0.79 1.54 0.58 -2.53 0.08 -0.80 -4.97 117.98 111.09 3bwi s PHE 369 Ca 0.00 -0.40 -0.20 0.00 0.12 0.00 0.00 56.93 56.46 3bwi s PHE 369 Cb 0.00 -1.03 -0.04 0.00 -0.57 0.00 0.00 43.02 41.38 3bwi s PHE 369 CO 0.00 -0.12 1.24 -0.51 -0.10 0.00 0.00 175.22 175.73 3bwi s ASP 370 N -0.04 5.21 -0.05 1.36 1.11 -1.26 -4.88 116.67 118.11 3bwi s ASP 370 Ca -0.01 2.48 -0.01 0.00 0.18 0.00 0.00 52.55 55.18 3bwi s ASP 370 Cb -0.10 -2.61 -0.02 0.00 1.07 0.00 0.00 42.92 41.26 3bwi s ASP 370 CO 0.01 -1.59 -0.05 0.29 1.18 0.00 0.00 175.17 175.01 3bwi n LYS 371 N -1.44 0.11 -3.62 8.23 4.76 -1.25 -4.12 118.16 120.82 3bwi n LYS 371 Ca 0.13 0.04 -0.04 0.00 -2.87 0.00 0.00 58.31 55.57 3bwi n LYS 371 Cb 0.48 -0.83 -0.01 0.00 -1.84 0.00 0.00 35.03 32.83 3bwi n LYS 371 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3bwi s ALA 372 N -2.09 -1.91 -0.05 7.82 0.00 -1.26 0.01 121.76 124.28 3bwi s ALA 372 Ca -0.07 0.79 0.06 0.00 0.00 0.00 0.00 51.96 52.75 3bwi s ALA 372 Cb 0.02 0.37 -0.01 0.00 0.00 0.00 0.00 23.12 23.50 3bwi s ALA 372 CO 0.09 -0.86 -0.25 0.54 0.00 0.00 0.00 175.76 175.29 3bwi s VAL 373 N -2.89 2.03 0.13 0.00 0.11 -0.92 -0.75 120.40 118.11 3bwi s VAL 373 Ca 0.10 -1.06 0.10 0.00 -2.93 0.00 0.00 61.98 58.20 3bwi s VAL 373 Cb 0.00 -1.72 -0.04 0.00 -1.53 0.00 0.00 36.38 33.10 3bwi s VAL 373 CO -0.04 0.57 -0.24 -0.36 -3.33 0.00 0.00 175.10 171.70 3bwi s PHE 374 N -0.19 2.39 -0.00 1.54 0.08 0.35 -1.09 117.98 121.06 3bwi s PHE 374 Ca -0.03 -0.34 -0.16 0.00 0.12 0.00 0.00 56.93 56.52 3bwi s PHE 374 Cb -0.13 -1.28 -0.06 0.00 -0.57 0.00 0.00 43.02 40.98 3bwi s PHE 374 CO 0.03 0.36 0.44 0.21 -0.10 0.00 0.00 175.22 176.16 3bwi s LYS 375 N -2.11 4.01 0.26 0.44 2.47 -0.15 -1.54 119.74 123.12 3bwi s LYS 375 Ca 0.16 0.47 0.01 0.00 -1.56 0.00 0.00 55.97 55.04 3bwi s LYS 375 Cb -0.10 -3.25 -0.03 0.00 -1.46 0.00 0.00 37.83 32.99 3bwi s LYS 375 CO 0.07 0.63 0.22 0.96 0.16 0.00 0.00 175.35 177.39 3bwi s ILE 376 N -0.91 0.00 -0.32 5.43 -4.36 -0.60 -2.24 121.20 118.21 3bwi s ILE 376 Ca 0.25 -1.95 0.01 0.00 -0.26 0.00 0.00 60.65 58.70 3bwi s ILE 376 Cb -0.17 -2.49 0.15 0.00 1.25 0.00 0.00 42.46 41.19 3bwi s ILE 376 CO 0.14 0.00 0.33 0.21 0.24 0.00 0.00 174.94 175.86 3bwi s ASN 377 N -3.23 1.41 0.00 4.36 2.47 -1.26 -4.61 114.94 114.08 3bwi s ASN 377 Ca 0.38 -1.07 0.27 0.00 0.42 0.00 0.00 52.86 52.87 3bwi s ASN 377 Cb 0.05 0.56 0.97 0.00 -1.45 0.00 0.00 41.25 41.37 3bwi s ASN 377 CO 0.18 -0.34 1.70 2.30 -3.72 0.00 0.00 177.10 177.23 3bwi n ILE 378 N 4.89 0.00 -0.10 -5.21 -5.35 -1.26 -4.32 119.36 108.01 3bwi n ILE 378 Ca 0.03 -0.08 -0.10 0.00 -0.27 0.00 0.00 62.75 62.33 3bwi n ILE 378 Cb 0.46 0.12 -0.03 0.00 -1.74 0.00 0.00 39.64 38.45 3bwi n ILE 378 CO 0.00 0.00 0.00 0.58 -1.76 0.00 0.00 176.55 175.37 3bwi h VAL 379 N 0.75 1.20 -3.14 7.28 2.07 -1.91 -3.37 116.25 119.12 3bwi h VAL 379 Ca 0.00 -0.66 -0.53 0.00 0.82 0.00 0.00 66.70 66.33 3bwi h VAL 379 Cb 0.44 1.08 0.05 0.00 -1.52 0.00 0.00 31.29 31.33 3bwi h VAL 379 CO 0.00 0.22 0.80 -2.84 0.02 0.00 0.00 177.57 175.77 3bwi s PRO 380 N -5.38 4.26 0.56 1.57 0.02 -1.26 -4.89 135.00 129.87 3bwi s PRO 380 Ca -0.13 2.30 0.29 0.00 0.02 0.00 0.00 61.00 63.48 3bwi s PRO 380 Cb 0.09 -3.14 1.64 0.00 0.02 0.00 0.00 34.50 33.10 3bwi s PRO 380 CO 0.74 -0.49 2.15 0.87 -0.33 0.00 0.00 177.00 179.94 3bwi h LYS 381 N 5.84 0.00 0.00 5.54 1.57 -1.84 -0.32 116.57 127.36 3bwi h LYS 381 Ca -0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 3bwi h LYS 381 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 3bwi h LYS 381 CO 0.83 0.07 0.00 1.33 -0.57 0.00 0.00 179.45 181.11 3bwi n VAL 382 N -3.66 0.60 -0.10 0.50 0.24 -1.26 -3.58 118.33 111.07 3bwi n VAL 382 Ca -0.02 0.15 -0.15 0.00 -2.04 0.00 0.00 64.34 62.27 3bwi n VAL 382 Cb 0.18 -0.80 -0.09 0.00 -1.47 0.00 0.00 33.84 31.66 3bwi n VAL 382 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 3bwi n ASN 383 N -1.51 2.30 -3.67 -1.34 3.02 -0.18 -5.05 115.26 108.83 3bwi n ASN 383 Ca 0.05 -0.04 -0.13 0.00 -0.03 0.00 0.00 54.58 54.42 3bwi n ASN 383 Cb 0.24 -0.36 -0.08 0.00 -0.61 0.00 0.00 39.78 38.96 3bwi n ASN 383 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3bwi s TYR 384 N -2.39 -0.66 0.22 3.10 5.04 -0.88 -4.50 117.35 117.27 3bwi s TYR 384 Ca -0.27 1.60 0.08 0.00 -2.44 0.00 0.00 57.07 56.04 3bwi s TYR 384 Cb 0.08 0.24 -0.05 0.00 0.35 0.00 0.00 41.96 42.57 3bwi s TYR 384 CO 0.44 -0.32 -0.14 0.95 -1.34 0.00 0.00 175.55 175.14 3bwi s THR 385 N 0.38 1.78 0.28 4.34 -4.23 -0.57 -4.27 115.64 113.35 3bwi s THR 385 Ca -0.01 -2.22 -0.03 0.00 -1.18 0.00 0.00 61.69 58.26 3bwi s THR 385 Cb -0.04 -2.12 0.26 0.00 1.34 0.00 0.00 72.50 71.94 3bwi s THR 385 CO -0.00 -0.54 1.95 0.40 -0.54 0.00 0.00 174.62 175.88 3bwi h ILE 386 N 2.50 1.20 0.13 2.99 2.04 -1.89 0.13 117.51 124.61 3bwi h ILE 386 Ca -0.38 -0.40 -0.28 0.00 1.00 0.00 0.00 64.86 64.79 3bwi h ILE 386 Cb 1.23 -0.08 0.00 0.00 -0.74 0.00 0.00 36.82 37.23 3bwi h ILE 386 CO 0.62 0.22 -1.29 1.88 0.00 0.00 0.00 178.15 179.58 3bwi h TYR 387 N 1.18 0.49 0.00 1.37 0.05 -1.95 -3.41 116.97 114.70 3bwi h TYR 387 Ca 0.34 -0.36 0.00 0.00 0.05 0.00 0.00 58.73 58.76 3bwi h TYR 387 Cb -0.08 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 37.64 3bwi h TYR 387 CO -0.00 1.30 0.00 -0.25 -1.05 0.00 0.00 178.16 178.16 3bwi n ASP 388 N -3.52 0.78 0.00 3.88 8.00 -1.20 -5.09 116.55 119.40 3bwi n ASP 388 Ca -0.10 -0.99 0.00 0.00 0.71 0.00 0.00 54.79 54.41 3bwi n ASP 388 Cb 1.03 0.01 0.00 0.00 -0.02 0.00 0.00 41.12 42.14 3bwi n ASP 388 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3bwi n GLY 389 N 0.01 3.27 0.16 0.44 0.00 0.45 -1.96 105.19 107.56 3bwi n GLY 389 Ca 0.00 -0.19 0.05 0.00 0.00 0.00 0.00 46.02 45.88 3bwi n GLY 389 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3bwi h PHE 390 N 0.00 0.00 -0.47 1.61 0.04 -1.86 -1.50 116.94 114.75 3bwi h PHE 390 Ca 0.00 0.00 -0.71 0.00 2.80 0.00 0.00 57.97 60.06 3bwi h PHE 390 Cb 0.00 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.10 3bwi h PHE 390 CO 0.00 0.39 3.07 0.09 -0.60 0.00 0.00 178.31 181.25 3bwi n ASN 391 N -3.20 6.73 -4.67 2.17 3.02 -0.83 -4.33 115.26 114.15 3bwi n ASN 391 Ca 0.02 -2.85 -0.50 0.00 -0.03 0.00 0.00 54.58 51.23 3bwi n ASN 391 Cb 0.68 -1.53 -0.05 0.00 -0.61 0.00 0.00 39.78 38.27 3bwi n ASN 391 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3bwi n LEU 392 N 3.89 2.94 -4.73 3.41 4.77 -1.26 -4.36 117.00 121.66 3bwi n LEU 392 Ca 0.62 1.04 -0.35 0.00 -0.03 0.00 0.00 56.01 57.29 3bwi n LEU 392 Cb 0.30 -1.33 0.08 0.00 -2.33 0.00 0.00 43.42 40.14 3bwi n LEU 392 CO 0.83 -0.31 0.84 0.00 -1.33 0.00 0.00 177.39 177.41 3bwi s ARG 393 N 2.56 2.37 -1.52 3.23 1.70 -1.26 -2.52 118.95 123.49 3bwi s ARG 393 Ca 0.88 1.86 -0.05 0.00 -0.47 0.00 0.00 55.73 57.96 3bwi s ARG 393 Cb -0.78 -1.85 0.02 0.00 -0.57 0.00 0.00 34.95 31.77 3bwi s ARG 393 CO 0.49 -1.69 0.58 0.09 -1.08 0.00 0.00 175.30 173.69 3bwi n ASN 394 N -2.33 -5.77 -3.71 -2.89 3.02 -1.26 -4.91 115.26 97.42 3bwi n ASN 394 Ca 0.14 -0.29 -0.14 0.00 -0.03 0.00 0.00 54.58 54.26 3bwi n ASN 394 Cb 0.49 -4.67 -0.07 0.00 -0.61 0.00 0.00 39.78 34.92 3bwi n ASN 394 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3bwi s THR 395 N -3.14 0.00 -1.51 3.41 -4.23 -1.22 -5.02 115.64 103.93 3bwi s THR 395 Ca 0.31 -1.76 0.16 0.00 -1.18 0.00 0.00 61.69 59.22 3bwi s THR 395 Cb -0.14 -2.48 0.30 0.00 1.34 0.00 0.00 72.50 71.51 3bwi s THR 395 CO 0.38 0.00 1.43 -0.46 -0.54 0.00 0.00 174.62 175.43 3bwi n ASN 396 N -0.89 0.00 -0.78 3.99 6.94 -1.26 -2.20 115.26 121.07 3bwi n ASN 396 Ca 0.02 -0.02 0.12 0.00 -0.02 0.00 0.00 54.58 54.68 3bwi n ASN 396 Cb 0.63 -0.24 0.12 0.00 -2.36 0.00 0.00 39.78 37.93 3bwi n ASN 396 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 3bwi n LEU 397 N -1.24 2.56 -0.06 -4.53 4.77 -1.26 -4.52 117.00 112.71 3bwi n LEU 397 Ca 0.08 -0.87 -0.11 0.00 -0.03 0.00 0.00 56.01 55.08 3bwi n LEU 397 Cb 0.11 -0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.15 3bwi n LEU 397 CO 0.11 0.44 0.77 0.00 -1.33 0.00 0.00 177.39 177.38 3bwi h ALA 398 N 4.43 0.25 -2.14 -1.18 0.00 -1.14 -2.91 119.26 116.58 3bwi h ALA 398 Ca 0.00 -0.19 -0.47 0.00 0.00 0.00 0.00 54.91 54.25 3bwi h ALA 398 Cb 0.88 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 18.62 3bwi h ALA 398 CO 0.00 -0.05 -0.14 0.00 0.00 0.00 0.00 179.25 179.06 3bwi s ALA 399 N -5.07 3.73 -0.82 0.00 0.00 -1.26 -4.46 121.76 113.89 3bwi s ALA 399 Ca -0.14 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 50.84 3bwi s ALA 399 Cb 0.07 -2.12 0.00 0.00 0.00 0.00 0.00 23.12 21.06 3bwi s ALA 399 CO 0.72 -0.20 0.00 0.09 0.00 0.00 0.00 175.76 176.37 3bwi n ASN 400 N -1.94 -3.11 -2.76 0.00 5.03 -1.26 -0.66 115.26 110.56 3bwi n ASN 400 Ca -0.02 0.26 -0.20 0.00 0.87 0.00 0.00 54.58 55.50 3bwi n ASN 400 Cb 0.57 -2.72 0.01 0.00 -1.02 0.00 0.00 39.78 36.62 3bwi n ASN 400 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 3bwi n PHE 401 N -3.00 -1.54 0.17 3.10 3.72 -1.26 -4.85 117.46 113.80 3bwi n PHE 401 Ca -0.11 0.26 0.15 0.00 -0.05 0.00 0.00 57.45 57.70 3bwi n PHE 401 Cb 0.55 -3.84 0.74 0.00 -0.94 0.00 0.00 39.48 35.99 3bwi n PHE 401 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 3bwi h ASN 402 N -0.65 0.00 0.48 4.37 2.35 -0.97 -0.85 115.58 120.32 3bwi h ASN 402 Ca -0.47 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.20 3bwi h ASN 402 Cb 1.33 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.69 3bwi h ASN 402 CO 0.53 0.00 -0.41 1.23 -1.65 0.00 0.00 177.43 177.14 3bwi h GLY 403 N 0.00 0.00 0.97 2.83 0.00 -1.70 -2.64 103.07 102.54 3bwi h GLY 403 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.43 3bwi h GLY 403 CO -0.00 0.00 -0.44 -1.06 0.00 0.00 0.00 176.54 175.04 3bwi n GLN 404 N -3.93 0.10 -2.41 4.80 6.02 -0.36 -4.73 117.38 116.85 3bwi n GLN 404 Ca -0.02 -0.05 -0.42 0.00 -0.01 0.00 0.00 57.00 56.50 3bwi n GLN 404 Cb 0.45 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 30.19 3bwi n GLN 404 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 3bwi s ASN 405 N -2.94 6.17 0.12 1.08 3.84 -0.99 -0.40 114.94 121.82 3bwi s ASN 405 Ca 0.13 0.28 0.15 0.00 0.21 0.00 0.00 52.86 53.63 3bwi s ASN 405 Cb 0.18 -2.55 0.67 0.00 -0.55 0.00 0.00 41.25 39.01 3bwi s ASN 405 CO 0.67 -1.68 1.46 0.35 -2.79 0.00 0.00 177.10 175.12 3bwi n THR 406 N 6.84 1.17 0.01 -5.21 -2.24 -0.21 -0.71 114.28 113.93 3bwi n THR 406 Ca 0.12 0.37 -0.13 0.00 -2.27 0.00 0.00 64.05 62.14 3bwi n THR 406 Cb 0.49 -1.27 -0.14 0.00 -2.10 0.00 0.00 70.33 67.32 3bwi n THR 406 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3bwi h GLU 407 N 0.00 0.11 0.04 -0.78 5.08 -1.90 -3.09 114.58 114.04 3bwi h GLU 407 Ca 0.00 -0.19 -0.15 0.00 -1.00 0.00 0.00 59.36 58.02 3bwi h GLU 407 Cb 0.19 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 3bwi h GLU 407 CO 0.00 0.83 -0.79 0.82 -1.00 0.00 0.00 179.01 178.87 3bwi h ILE 408 N 0.03 1.32 -1.67 3.13 2.04 -1.71 -3.35 117.51 117.30 3bwi h ILE 408 Ca -0.28 -2.32 -0.71 0.00 1.00 0.00 0.00 64.86 62.55 3bwi h ILE 408 Cb 2.00 2.86 -0.26 0.00 -0.74 0.00 0.00 36.82 40.68 3bwi h ILE 408 CO 0.10 0.55 0.93 -3.20 0.00 0.00 0.00 178.15 176.53 3bwi n ASN 409 N -4.36 7.39 0.30 1.72 5.15 0.11 -4.75 115.26 120.82 3bwi n ASN 409 Ca -0.21 -3.72 0.16 0.00 -0.60 0.00 0.00 54.58 50.21 3bwi n ASN 409 Cb 0.67 -1.08 0.95 0.00 -0.53 0.00 0.00 39.78 39.79 3bwi n ASN 409 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 3bwi h ASN 410 N 2.80 0.00 0.77 1.20 -1.07 -1.68 -2.26 115.58 115.33 3bwi h ASN 410 Ca 0.54 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.91 3bwi h ASN 410 Cb 0.27 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.52 3bwi h ASN 410 CO 1.37 0.01 0.00 1.15 0.07 0.00 0.00 177.43 180.02 3bwi n MET 411 N -3.73 0.18 -0.06 4.14 0.00 -1.26 -2.64 117.12 113.75 3bwi n MET 411 Ca -0.03 0.39 0.12 0.00 0.00 0.00 0.00 57.70 58.18 3bwi n MET 411 Cb 0.09 -1.83 0.18 0.00 0.00 0.00 0.00 33.22 31.65 3bwi n MET 411 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 3bwi n ASN 412 N -2.17 2.98 -3.82 3.17 4.13 -0.85 -4.92 115.26 113.78 3bwi n ASN 412 Ca 0.02 -1.95 -0.14 0.00 1.68 0.00 0.00 54.58 54.19 3bwi n ASN 412 Cb 0.24 -0.08 -0.15 0.00 -1.54 0.00 0.00 39.78 38.25 3bwi n ASN 412 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 3bwi s PHE 413 N -1.84 0.05 -0.24 3.10 0.08 -1.08 -4.48 117.98 113.56 3bwi s PHE 413 Ca 0.32 0.07 0.02 0.00 0.12 0.00 0.00 56.93 57.45 3bwi s PHE 413 Cb 0.21 -0.16 0.06 0.00 -0.57 0.00 0.00 43.02 42.56 3bwi s PHE 413 CO 0.31 -0.05 -0.09 0.99 -0.10 0.00 0.00 175.22 176.28 3bwi s THR 414 N 0.62 1.84 0.04 0.64 2.01 -0.95 -4.91 115.64 114.94 3bwi s THR 414 Ca -0.05 -1.40 -0.30 0.00 0.31 0.00 0.00 61.69 60.25 3bwi s THR 414 Cb -0.08 -2.02 -0.07 0.00 0.01 0.00 0.00 72.50 70.35 3bwi s THR 414 CO -0.02 -0.04 1.51 -0.75 -0.69 0.00 0.00 174.62 174.63 3bwi s LYS 415 N 1.26 4.25 -0.21 4.92 2.20 -1.26 -0.97 119.74 129.92 3bwi s LYS 415 Ca -0.07 2.13 0.13 0.00 -0.36 0.00 0.00 55.97 57.80 3bwi s LYS 415 Cb -0.19 -3.55 -0.23 0.00 -1.51 0.00 0.00 37.83 32.35 3bwi s LYS 415 CO -0.06 -0.63 0.01 1.28 -0.36 0.00 0.00 175.35 175.59 3bwi n LEU 416 N 5.35 0.95 -3.58 5.43 4.77 -0.25 -4.94 117.00 124.71 3bwi n LEU 416 Ca 0.14 -0.02 -0.16 0.00 -0.03 0.00 0.00 56.01 55.94 3bwi n LEU 416 Cb 0.42 0.05 -0.07 0.00 -2.33 0.00 0.00 43.42 41.49 3bwi n LEU 416 CO 0.60 0.63 0.37 -0.75 -1.33 0.00 0.00 177.39 176.91 3bwi s LYS 417 N -2.50 0.93 -0.09 3.23 2.20 -1.21 -5.02 119.74 117.27 3bwi s LYS 417 Ca -0.17 0.39 -0.01 0.00 -0.36 0.00 0.00 55.97 55.82 3bwi s LYS 417 Cb 0.07 0.44 -0.03 0.00 -1.51 0.00 0.00 37.83 36.80 3bwi s LYS 417 CO 0.76 -0.25 -0.06 1.21 -0.36 0.00 0.00 175.35 176.66 3bwi s ASN 418 N -0.78 4.72 -0.04 1.43 2.47 -1.26 -2.17 114.94 119.31 3bwi s ASN 418 Ca -0.08 -0.04 0.18 0.00 0.42 0.00 0.00 52.86 53.33 3bwi s ASN 418 Cb -0.02 -1.37 -0.27 0.00 -1.45 0.00 0.00 41.25 38.14 3bwi s ASN 418 CO 0.07 0.31 0.37 0.49 -3.72 0.00 0.00 177.10 174.61 3bwi n PHE 419 N 2.59 0.00 -1.72 0.43 3.72 0.10 -4.92 117.46 117.67 3bwi n PHE 419 Ca -0.18 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.80 3bwi n PHE 419 Cb 0.53 -0.44 -0.03 0.00 -0.94 0.00 0.00 39.48 38.60 3bwi n PHE 419 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 3bwi n THR 420 N -2.16 0.07 0.00 4.37 -1.04 -1.21 -2.02 114.28 112.28 3bwi n THR 420 Ca -0.05 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 3bwi n THR 420 Cb 0.51 -1.95 0.00 0.00 -1.82 0.00 0.00 70.33 67.07 3bwi n THR 420 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3bwi n GLY 421 N 3.81 3.22 0.09 3.41 0.00 -0.92 -4.87 105.19 109.94 3bwi n GLY 421 Ca 0.16 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.30 3bwi n GLY 421 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3bwi n LEU 422 N 0.00 0.69 0.00 0.99 4.77 -0.86 -5.05 117.00 117.54 3bwi n LEU 422 Ca 0.00 0.58 0.08 0.00 -0.03 0.00 0.00 56.01 56.64 3bwi n LEU 422 Cb 0.00 -0.38 0.50 0.00 -2.33 0.00 0.00 43.42 41.21 3bwi n LEU 422 CO 0.00 -0.21 0.70 0.49 -1.33 0.00 0.00 177.39 177.04