#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bwm n VAL 4 N 0.00 0.12 -4.39 0.00 3.14 -1.25 -4.25 118.33 111.69 1bwm n VAL 4 Ca 0.00 -0.49 -0.20 0.00 -2.96 0.00 0.00 64.34 60.69 1bwm n VAL 4 Cb 0.00 -2.24 -0.05 0.00 -1.06 0.00 0.00 33.84 30.49 1bwm n VAL 4 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 1bwm n THR 5 N 7.69 0.00 -3.17 1.55 -2.24 -1.08 -4.38 114.28 112.64 1bwm n THR 5 Ca 0.39 -1.82 0.05 0.00 -2.27 0.00 0.00 64.05 60.39 1bwm n THR 5 Cb 0.39 0.64 -0.02 0.00 -2.10 0.00 0.00 70.33 69.24 1bwm n THR 5 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1bwm s GLN 6 N -3.20 0.22 -0.17 -0.78 0.74 -1.19 -2.65 119.66 112.63 1bwm s GLN 6 Ca 0.15 0.42 -0.03 0.00 0.05 0.00 0.00 55.36 55.95 1bwm s GLN 6 Cb 0.01 0.23 0.01 0.00 1.10 0.00 0.00 33.01 34.36 1bwm s GLN 6 CO 0.11 -0.23 0.05 0.45 -0.55 0.00 0.00 175.29 175.12 1bwm n SER 7 N 5.41 -6.11 0.30 6.67 2.88 0.84 -4.54 113.62 119.07 1bwm n SER 7 Ca -0.07 1.11 0.18 0.00 -1.33 0.00 0.00 58.87 58.77 1bwm n SER 7 Cb 0.53 -3.97 1.01 0.00 -0.75 0.00 0.00 64.21 61.03 1bwm n SER 7 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1bwm h PRO 8 N 3.63 0.00 -5.08 -1.46 0.10 -1.93 -3.43 132.00 123.83 1bwm h PRO 8 Ca -0.11 0.00 -0.34 0.00 0.10 0.00 0.00 66.00 65.65 1bwm h PRO 8 Cb 0.51 0.00 -0.17 0.00 0.10 0.00 0.00 31.00 31.44 1bwm h PRO 8 CO 0.05 0.00 -0.73 1.03 0.10 0.00 0.00 178.00 178.44 1bwm s ARG 9 N -4.46 0.94 0.11 1.05 0.52 -1.26 -5.15 118.95 110.70 1bwm s ARG 9 Ca -0.05 -1.26 0.01 0.00 -0.52 0.00 0.00 55.73 53.91 1bwm s ARG 9 Cb 0.14 -0.63 -0.04 0.00 0.52 0.00 0.00 34.95 34.95 1bwm s ARG 9 CO 0.49 0.10 0.25 -0.80 0.02 0.00 0.00 175.30 175.36 1bwm s ASN 10 N -2.67 6.32 -0.04 0.23 0.01 -1.26 -5.05 114.94 112.48 1bwm s ASN 10 Ca 0.10 0.21 -0.31 0.00 -0.71 0.00 0.00 52.86 52.14 1bwm s ASN 10 Cb -0.02 -1.92 0.07 0.00 0.41 0.00 0.00 41.25 39.80 1bwm s ASN 10 CO 0.01 0.10 0.69 -0.54 -1.51 0.00 0.00 177.10 175.85 1bwm s LYS 11 N -2.92 1.06 0.31 -0.60 1.02 -1.26 -5.14 119.74 112.21 1bwm s LYS 11 Ca 0.35 0.22 0.07 0.00 0.02 0.00 0.00 55.97 56.63 1bwm s LYS 11 Cb -0.12 0.50 -0.03 0.00 -0.52 0.00 0.00 37.83 37.66 1bwm s LYS 11 CO 0.28 -0.34 0.29 0.08 -0.92 0.00 0.00 175.35 174.74 1bwm s VAL 12 N -1.30 3.90 0.18 3.17 1.01 -1.26 -4.70 120.40 121.40 1bwm s VAL 12 Ca -0.10 -1.32 0.04 0.00 0.00 0.00 0.00 61.98 60.60 1bwm s VAL 12 Cb -0.00 -3.29 -0.05 0.00 0.00 0.00 0.00 36.38 33.04 1bwm s VAL 12 CO 0.09 -0.23 -0.06 0.00 0.00 0.00 0.00 175.10 174.90 1bwm s ALA 13 N -2.23 1.62 0.55 5.51 0.00 -1.07 -4.96 121.76 121.18 1bwm s ALA 13 Ca 0.39 -1.61 0.08 0.00 0.00 0.00 0.00 51.96 50.82 1bwm s ALA 13 Cb -0.07 0.23 0.07 0.00 0.00 0.00 0.00 23.12 23.35 1bwm s ALA 13 CO 0.27 -0.16 0.65 0.14 0.00 0.00 0.00 175.76 176.66 1bwm s VAL 14 N -3.36 2.05 -0.44 0.00 -7.23 -1.26 -1.00 120.40 109.16 1bwm s VAL 14 Ca 0.22 -1.16 -0.42 0.00 -1.81 0.00 0.00 61.98 58.81 1bwm s VAL 14 Cb 0.04 -2.21 -0.17 0.00 0.56 0.00 0.00 36.38 34.60 1bwm s VAL 14 CO 0.04 0.00 2.06 0.41 -0.31 0.00 0.00 175.10 177.30 1bwm n THR 15 N -2.06 0.07 -3.36 5.32 -1.04 -1.26 -0.10 114.28 111.86 1bwm n THR 15 Ca 0.10 -0.07 -0.16 0.00 -2.04 0.00 0.00 64.05 61.88 1bwm n THR 15 Cb 0.62 -0.85 0.08 0.00 -1.82 0.00 0.00 70.33 68.36 1bwm n THR 15 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1bwm n GLY 16 N 6.57 -0.66 0.00 3.41 0.00 0.30 -4.93 105.19 109.89 1bwm n GLY 16 Ca 0.46 0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.76 1bwm n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bwm n GLY 17 N -1.17 0.15 3.61 -0.02 0.00 0.85 -4.79 105.19 103.83 1bwm n GLY 17 Ca -0.21 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.77 1bwm n GLY 17 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1bwm s LYS 18 N 0.51 0.25 -0.05 1.61 2.20 -1.25 -4.65 119.74 118.36 1bwm s LYS 18 Ca 0.00 -0.06 -0.01 0.00 -0.36 0.00 0.00 55.97 55.54 1bwm s LYS 18 Cb 0.00 0.12 0.03 0.00 -1.51 0.00 0.00 37.83 36.46 1bwm s LYS 18 CO 0.00 -0.10 0.01 0.08 -0.36 0.00 0.00 175.35 174.98 1bwm s VAL 19 N -2.03 0.23 -0.26 4.02 1.01 0.17 -4.61 120.40 118.92 1bwm s VAL 19 Ca 0.09 0.17 -0.03 0.00 0.00 0.00 0.00 61.98 62.20 1bwm s VAL 19 Cb -0.01 -0.39 0.02 0.00 0.00 0.00 0.00 36.38 36.00 1bwm s VAL 19 CO -0.04 0.21 -0.02 -0.89 0.00 0.00 0.00 175.10 174.36 1bwm s THR 20 N 1.71 3.26 -0.28 3.92 2.01 -1.26 -2.18 115.64 122.82 1bwm s THR 20 Ca 0.00 -0.87 -0.02 0.00 0.31 0.00 0.00 61.69 61.11 1bwm s THR 20 Cb -0.13 -2.65 0.09 0.00 0.01 0.00 0.00 72.50 69.83 1bwm s THR 20 CO -0.03 0.18 0.10 -0.76 -0.69 0.00 0.00 174.62 173.42 1bwm s LEU 21 N 1.39 1.47 -0.37 4.42 1.43 -0.29 -4.78 118.68 121.95 1bwm s LEU 21 Ca 0.01 -1.38 -0.20 0.00 -1.03 0.00 0.00 54.13 51.54 1bwm s LEU 21 Cb -0.17 -0.64 0.00 0.00 0.03 0.00 0.00 46.19 45.42 1bwm s LEU 21 CO -0.02 -0.41 0.60 -0.94 0.23 0.00 0.00 176.35 175.81 1bwm s SER 22 N 1.83 6.37 -0.11 2.29 1.04 -1.26 -1.14 113.70 122.72 1bwm s SER 22 Ca 0.08 0.00 -0.00 0.00 0.48 0.00 0.00 55.95 56.50 1bwm s SER 22 Cb -0.17 -2.31 -0.03 0.00 0.10 0.00 0.00 66.02 63.62 1bwm s SER 22 CO -0.26 -0.60 -0.08 0.00 0.98 0.00 0.00 173.24 173.28 1bwm s ASN 24 N -0.20 4.22 -0.06 0.00 0.02 -1.08 -2.14 114.94 115.70 1bwm s ASN 24 Ca 0.02 -1.04 -0.02 0.00 -1.02 0.00 0.00 52.86 50.80 1bwm s ASN 24 Cb -0.13 -0.52 0.04 0.00 0.02 0.00 0.00 41.25 40.66 1bwm s ASN 24 CO 0.03 -0.32 0.10 -1.58 0.02 0.00 0.00 177.10 175.35 1bwm s GLN 25 N -3.76 -0.01 -0.32 -0.60 -0.44 0.39 -2.64 119.66 112.28 1bwm s GLN 25 Ca 0.36 0.42 0.02 0.00 -2.50 0.00 0.00 55.36 53.66 1bwm s GLN 25 Cb 0.02 -0.35 0.12 0.00 -1.64 0.00 0.00 33.01 31.15 1bwm s GLN 25 CO 0.20 -0.28 1.14 -2.37 0.50 0.00 0.00 175.29 174.48 1bwm n THR 26 N 5.03 0.00 -1.84 -0.34 5.66 -1.26 -4.63 114.28 116.90 1bwm n THR 26 Ca -0.10 -0.63 -0.03 0.00 -3.05 0.00 0.00 64.05 60.25 1bwm n THR 26 Cb 0.50 0.69 0.14 0.00 -1.55 0.00 0.00 70.33 70.11 1bwm n THR 26 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1bwm n ASN 27 N -0.26 2.52 -1.25 1.09 5.15 -1.26 -4.50 115.26 116.75 1bwm n ASN 27 Ca -0.23 -3.63 -0.08 0.00 -0.60 0.00 0.00 54.58 50.05 1bwm n ASN 27 Cb 0.67 -0.46 0.01 0.00 -0.53 0.00 0.00 39.78 39.48 1bwm n ASN 27 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1bwm n ASN 28 N -0.85 -3.15 -4.02 1.20 5.15 -1.26 -5.03 115.26 107.30 1bwm n ASN 28 Ca 0.24 -0.11 -0.30 0.00 -0.60 0.00 0.00 54.58 53.81 1bwm n ASN 28 Cb 0.81 -2.01 -0.16 0.00 -0.53 0.00 0.00 39.78 37.89 1bwm n ASN 28 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 1bwm s HIS 29 N -2.81 2.21 -1.50 1.20 3.76 -1.26 -4.78 115.29 112.11 1bwm s HIS 29 Ca 0.12 -1.26 0.28 0.00 -0.15 0.00 0.00 55.06 54.06 1bwm s HIS 29 Cb -0.05 -1.61 1.11 0.00 1.11 0.00 0.00 32.58 33.13 1bwm s HIS 29 CO 0.15 -0.68 1.80 -1.71 -0.85 0.00 0.00 174.74 173.44 1bwm n ASN 30 N 4.76 0.46 -4.30 1.40 2.85 -1.25 -4.83 115.26 114.35 1bwm n ASN 30 Ca -0.17 -0.43 -0.28 0.00 -0.11 0.00 0.00 54.58 53.59 1bwm n ASN 30 Cb 0.50 -0.07 -0.15 0.00 1.24 0.00 0.00 39.78 41.30 1bwm n ASN 30 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 1bwm s ASN 31 N -2.60 2.87 -0.03 1.20 2.47 -1.17 -4.45 114.94 113.23 1bwm s ASN 31 Ca 0.25 -0.55 0.05 0.00 0.42 0.00 0.00 52.86 53.03 1bwm s ASN 31 Cb 0.20 -0.26 -0.01 0.00 -1.45 0.00 0.00 41.25 39.73 1bwm s ASN 31 CO 0.51 0.22 -0.20 -0.04 -3.72 0.00 0.00 177.10 173.88 1bwm s MET 32 N -1.17 1.82 0.08 0.43 -1.94 0.21 -2.73 119.30 115.99 1bwm s MET 32 Ca 0.10 -0.70 0.09 0.00 -1.71 0.00 0.00 55.69 53.46 1bwm s MET 32 Cb -0.09 -1.65 -0.03 0.00 2.01 0.00 0.00 34.83 35.06 1bwm s MET 32 CO 0.02 0.35 -0.23 0.71 -0.01 0.00 0.00 175.02 175.86 1bwm s TYR 33 N -0.23 2.04 -0.09 -0.03 2.02 0.10 -1.35 117.35 119.80 1bwm s TYR 33 Ca 0.02 -0.39 -0.00 0.00 -0.37 0.00 0.00 57.07 56.32 1bwm s TYR 33 Cb -0.10 -1.17 0.02 0.00 -0.40 0.00 0.00 41.96 40.31 1bwm s TYR 33 CO 0.01 0.18 -0.06 -0.46 -1.57 0.00 0.00 175.55 173.64 1bwm s TRP 34 N -0.94 1.26 0.41 2.71 -0.00 0.11 -2.03 118.94 120.46 1bwm s TRP 34 Ca 0.10 -0.55 0.07 0.00 -0.00 0.00 0.00 56.10 55.71 1bwm s TRP 34 Cb -0.10 -1.08 -0.08 0.00 -0.00 0.00 0.00 33.47 32.22 1bwm s TRP 34 CO 0.03 -0.42 0.03 0.71 -0.00 0.00 0.00 176.95 177.30 1bwm s TYR 35 N 1.54 2.53 -0.13 5.86 2.02 -0.99 -2.72 117.35 125.45 1bwm s TYR 35 Ca 0.01 -0.66 -0.11 0.00 -0.37 0.00 0.00 57.07 55.93 1bwm s TYR 35 Cb -0.13 -1.80 0.04 0.00 -0.40 0.00 0.00 41.96 39.67 1bwm s TYR 35 CO -0.05 0.43 0.35 0.50 -1.57 0.00 0.00 175.55 175.20 1bwm s ARG 36 N -3.73 0.39 0.71 -0.62 3.00 0.17 -2.65 118.95 116.23 1bwm s ARG 36 Ca 0.36 0.52 -0.11 0.00 -1.00 0.00 0.00 55.73 55.50 1bwm s ARG 36 Cb 0.09 0.15 0.02 0.00 0.00 0.00 0.00 34.95 35.22 1bwm s ARG 36 CO 0.18 -0.07 1.07 -1.14 0.00 0.00 0.00 175.30 175.35 1bwm s GLN 37 N 0.39 2.73 0.13 5.12 2.00 -0.81 0.77 119.66 130.00 1bwm s GLN 37 Ca -0.02 1.06 0.00 0.00 -2.00 0.00 0.00 55.36 54.40 1bwm s GLN 37 Cb -0.04 -1.96 0.00 0.00 0.80 0.00 0.00 33.01 31.81 1bwm s GLN 37 CO -0.02 -1.27 0.00 -3.47 -0.50 0.00 0.00 175.29 170.04 1bwm n ASP 38 N -3.16 -0.48 -1.52 6.67 -0.08 -0.50 -4.48 116.55 113.01 1bwm n ASP 38 Ca 0.08 0.24 0.00 0.00 -1.51 0.00 0.00 54.79 53.60 1bwm n ASP 38 Cb 0.53 0.59 0.00 0.00 2.34 0.00 0.00 41.12 44.59 1bwm n ASP 38 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 1bwm n THR 39 N -2.88 0.00 -0.04 5.18 -1.04 -1.06 -4.93 114.28 109.51 1bwm n THR 39 Ca 0.00 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 62.05 1bwm n THR 39 Cb 0.00 -1.04 0.40 0.00 -1.82 0.00 0.00 70.33 67.87 1bwm n THR 39 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1bwm h GLY 40 N 0.00 0.66 -0.69 3.41 0.00 -2.01 -3.29 103.07 101.15 1bwm h GLY 40 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.09 1bwm h GLY 40 CO 0.00 0.23 -0.29 -2.39 0.00 0.00 0.00 176.54 174.09 1bwm n HIS 41 N -4.47 0.00 -3.52 5.60 -0.00 -1.26 -5.00 115.22 106.57 1bwm n HIS 41 Ca 0.05 0.00 -0.39 0.00 -0.00 0.00 0.00 57.72 57.38 1bwm n HIS 41 Cb 0.08 0.01 -0.10 0.00 -0.00 0.00 0.00 29.99 29.98 1bwm n HIS 41 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 1bwm s GLY 42 N -0.58 1.93 0.25 -1.39 0.00 -1.24 -3.15 107.32 103.14 1bwm s GLY 42 Ca 0.00 -1.11 -0.04 0.00 0.00 0.00 0.00 44.72 43.56 1bwm s GLY 42 CO 0.00 0.77 0.34 1.04 0.00 0.00 0.00 173.10 175.25 1bwm n LEU 43 N 5.16 0.00 -3.11 0.66 4.77 -1.26 -1.40 117.00 121.81 1bwm n LEU 43 Ca -0.12 -0.37 0.04 0.00 -0.03 0.00 0.00 56.01 55.53 1bwm n LEU 43 Cb 0.51 -0.26 -0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1bwm n LEU 43 CO 0.35 -0.75 0.36 -0.60 -1.33 0.00 0.00 177.39 175.42 1bwm s ARG 44 N -3.74 0.32 0.60 3.23 3.00 0.23 -4.57 118.95 118.03 1bwm s ARG 44 Ca 0.19 0.20 -0.19 0.00 -1.00 0.00 0.00 55.73 54.93 1bwm s ARG 44 Cb -0.01 0.11 -0.03 0.00 0.00 0.00 0.00 34.95 35.03 1bwm s ARG 44 CO 0.13 -0.57 1.21 -1.17 0.00 0.00 0.00 175.30 174.90 1bwm s LEU 45 N 2.70 3.65 0.00 -0.88 0.20 -1.26 -0.66 118.68 122.43 1bwm s LEU 45 Ca 0.20 2.39 0.00 0.00 0.69 0.00 0.00 54.13 57.41 1bwm s LEU 45 Cb -0.04 -4.60 0.00 0.00 -0.43 0.00 0.00 46.19 41.12 1bwm s LEU 45 CO -0.21 -1.62 0.00 2.30 -0.29 0.00 0.00 176.35 176.52 1bwm n ILE 46 N -1.64 0.00 -4.20 6.68 -0.00 -1.10 -3.75 119.36 115.35 1bwm n ILE 46 Ca 0.14 0.00 -0.17 0.00 -0.00 0.00 0.00 62.75 62.71 1bwm n ILE 46 Cb 0.50 0.00 -0.11 0.00 -0.00 0.00 0.00 39.64 40.02 1bwm n ILE 46 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.55 175.55 1bwm s HIS 47 N -1.00 1.23 -0.29 4.28 3.76 -1.22 0.15 115.29 122.20 1bwm s HIS 47 Ca 0.00 -0.54 -0.21 0.00 -0.15 0.00 0.00 55.06 54.16 1bwm s HIS 47 Cb 0.00 -0.67 0.18 0.00 1.11 0.00 0.00 32.58 33.20 1bwm s HIS 47 CO 0.00 0.07 1.23 1.52 -0.85 0.00 0.00 174.74 176.71 1bwm s TYR 48 N -1.87 -0.24 0.00 1.40 1.13 -1.26 -0.72 117.35 115.80 1bwm s TYR 48 Ca 0.04 0.52 -0.28 0.00 -1.41 0.00 0.00 57.07 55.93 1bwm s TYR 48 Cb -0.06 0.31 0.09 0.00 -1.10 0.00 0.00 41.96 41.19 1bwm s TYR 48 CO 0.02 -0.12 0.75 -1.54 -2.51 0.00 0.00 175.55 172.16 1bwm s SER 49 N 0.61 -0.52 0.00 -0.18 1.04 -0.46 -4.41 113.70 109.77 1bwm s SER 49 Ca -0.01 0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.72 1bwm s SER 49 Cb -0.04 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.57 1bwm s SER 49 CO -0.12 -0.67 0.00 0.00 0.98 0.00 0.00 173.24 173.42 1bwm n TYR 50 N 0.25 0.00 -3.21 5.02 4.11 -1.26 0.67 117.16 122.75 1bwm n TYR 50 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.75 1bwm n TYR 50 Cb 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.95 1bwm n TYR 50 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1bwm n GLY 51 N 1.42 6.61 3.84 -7.48 0.00 -1.26 -4.54 105.19 103.78 1bwm n GLY 51 Ca 0.00 -1.93 -0.38 0.00 0.00 0.00 0.00 46.02 43.71 1bwm n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bwm s ALA 52 N -2.00 3.72 0.00 4.61 0.00 -1.26 -4.27 121.76 122.55 1bwm s ALA 52 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 51.96 51.70 1bwm s ALA 52 Cb 0.00 -2.34 0.00 0.00 0.00 0.00 0.00 23.12 20.78 1bwm s ALA 52 CO 0.00 0.50 0.00 0.41 0.00 0.00 0.00 175.76 176.67 1bwm n GLY 53 N 1.76 0.91 2.73 0.00 0.00 -1.25 -5.02 105.19 104.32 1bwm n GLY 53 Ca -0.14 -0.56 -0.20 0.00 0.00 0.00 0.00 46.02 45.12 1bwm n GLY 53 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bwm s SER 54 N -2.76 1.20 0.03 1.61 0.01 -1.26 -5.12 113.70 107.41 1bwm s SER 54 Ca 0.00 0.04 -0.28 0.00 1.31 0.00 0.00 55.95 57.02 1bwm s SER 54 Cb 0.00 0.06 0.10 0.00 0.21 0.00 0.00 66.02 66.39 1bwm s SER 54 CO 0.00 -0.27 1.23 0.28 0.41 0.00 0.00 173.24 174.89 1bwm s THR 55 N 2.23 0.00 -1.03 1.44 -1.32 -1.26 -4.54 115.64 111.16 1bwm s THR 55 Ca 0.04 -0.28 -0.18 0.00 -1.21 0.00 0.00 61.69 60.06 1bwm s THR 55 Cb -0.13 -2.60 0.02 0.00 -1.51 0.00 0.00 72.50 68.28 1bwm s THR 55 CO -0.06 0.00 0.65 -1.84 -2.21 0.00 0.00 174.62 171.16 1bwm n GLU 56 N -0.72 -0.86 -1.86 7.08 0.28 -1.26 -4.88 120.64 118.42 1bwm n GLU 56 Ca -0.02 0.40 -0.03 0.00 -0.16 0.00 0.00 57.16 57.36 1bwm n GLU 56 Cb 0.60 -2.45 0.03 0.00 1.43 0.00 0.00 31.44 31.05 1bwm n GLU 56 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1bwm n LYS 57 N -3.90 0.68 0.00 3.44 3.00 -1.18 -5.03 118.16 115.16 1bwm n LYS 57 Ca -0.21 -1.49 0.00 0.00 -0.00 0.00 0.00 58.31 56.61 1bwm n LYS 57 Cb 0.62 0.17 0.00 0.00 0.00 0.00 0.00 35.03 35.82 1bwm n LYS 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1bwm n GLY 58 N -0.55 -1.31 1.70 3.14 0.00 0.41 -4.85 105.19 103.73 1bwm n GLY 58 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1bwm n GLY 58 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1bwm n ASP 59 N 0.00 0.22 -2.95 1.61 -0.08 -1.25 -4.89 116.55 109.21 1bwm n ASP 59 Ca 0.00 0.38 -0.13 0.00 -1.51 0.00 0.00 54.79 53.53 1bwm n ASP 59 Cb 0.00 0.18 0.02 0.00 2.34 0.00 0.00 41.12 43.66 1bwm n ASP 59 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 1bwm n ILE 60 N -3.48 0.14 0.00 5.18 -6.64 -1.26 -5.00 119.36 108.30 1bwm n ILE 60 Ca 0.00 -3.46 0.00 0.00 -1.77 0.00 0.00 62.75 57.52 1bwm n ILE 60 Cb 0.00 0.36 0.00 0.00 -1.44 0.00 0.00 39.64 38.56 1bwm n ILE 60 CO 0.00 0.00 0.00 -2.65 -1.77 0.00 0.00 176.55 172.13 1bwm n PRO 61 N 0.15 0.00 -1.96 6.28 -0.01 -1.26 -5.01 135.00 133.18 1bwm n PRO 61 Ca 0.16 0.44 0.00 0.00 -0.01 0.00 0.00 63.50 64.09 1bwm n PRO 61 Cb 0.72 -1.42 0.00 0.00 -0.01 0.00 0.00 33.50 32.79 1bwm n PRO 61 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 175.50 175.24 1bwm n ASP 62 N -1.80 -9.63 -2.50 2.55 8.00 -1.26 -4.82 116.55 107.09 1bwm n ASP 62 Ca 0.00 1.41 -0.09 0.00 0.71 0.00 0.00 54.79 56.82 1bwm n ASP 62 Cb 0.00 -5.27 0.04 0.00 -0.02 0.00 0.00 41.12 35.87 1bwm n ASP 62 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1bwm n GLY 63 N 0.67 -0.25 3.70 0.44 0.00 -1.26 -5.05 105.19 103.44 1bwm n GLY 63 Ca 0.00 0.16 -0.10 0.00 0.00 0.00 0.00 46.02 46.08 1bwm n GLY 63 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1bwm s TYR 65 N -3.22 0.32 -0.10 1.61 1.13 -1.26 -4.70 117.35 111.12 1bwm s TYR 65 Ca 0.22 -0.78 -0.22 0.00 -1.41 0.00 0.00 57.07 54.88 1bwm s TYR 65 Cb -0.03 0.46 0.05 0.00 -1.10 0.00 0.00 41.96 41.34 1bwm s TYR 65 CO 0.43 -1.27 0.53 0.21 -2.51 0.00 0.00 175.55 172.93 1bwm s LYS 66 N -3.20 0.79 0.10 -3.49 2.20 -0.43 -4.94 119.74 110.78 1bwm s LYS 66 Ca 0.19 0.32 -0.25 0.00 -0.36 0.00 0.00 55.97 55.87 1bwm s LYS 66 Cb -0.03 0.37 0.09 0.00 -1.51 0.00 0.00 37.83 36.75 1bwm s LYS 66 CO 0.12 -0.19 1.12 0.00 -0.36 0.00 0.00 175.35 176.04 1bwm s ALA 67 N -0.67 -1.90 -0.04 3.13 0.00 -1.26 -0.21 121.76 120.81 1bwm s ALA 67 Ca -0.08 0.01 -0.25 0.00 0.00 0.00 0.00 51.96 51.65 1bwm s ALA 67 Cb -0.03 0.69 0.05 0.00 0.00 0.00 0.00 23.12 23.84 1bwm s ALA 67 CO 0.05 -1.08 0.55 -1.12 0.00 0.00 0.00 175.76 174.16 1bwm s SER 68 N -3.33 -0.49 -0.52 0.00 0.01 -0.91 -4.97 113.70 103.50 1bwm s SER 68 Ca 0.20 0.49 0.07 0.00 1.31 0.00 0.00 55.95 58.02 1bwm s SER 68 Cb -0.01 0.46 0.26 0.00 0.21 0.00 0.00 66.02 66.94 1bwm s SER 68 CO 0.02 -0.55 0.65 -1.14 0.41 0.00 0.00 173.24 172.63 1bwm n ARG 69 N 1.04 1.69 -0.29 12.44 3.00 -1.26 -2.60 116.66 130.68 1bwm n ARG 69 Ca -0.20 -3.99 -0.02 0.00 -0.00 0.00 0.00 57.85 53.65 1bwm n ARG 69 Cb 0.57 -1.77 0.10 0.00 0.00 0.00 0.00 32.46 31.36 1bwm n ARG 69 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.63 176.63 1bwm h PRO 70 N 4.01 0.94 -5.95 -0.14 0.13 -1.98 -3.33 132.00 125.67 1bwm h PRO 70 Ca 0.14 -0.06 -0.52 0.00 -0.87 0.00 0.00 66.00 64.69 1bwm h PRO 70 Cb 0.76 -0.21 -0.21 0.00 0.13 0.00 0.00 31.00 31.47 1bwm h PRO 70 CO 0.66 0.62 -0.81 -1.12 -0.23 0.00 0.00 178.00 177.12 1bwm s SER 71 N -5.81 2.34 0.67 1.44 0.01 -1.26 -4.82 113.70 106.27 1bwm s SER 71 Ca -0.13 -0.68 0.43 0.00 1.31 0.00 0.00 55.95 56.88 1bwm s SER 71 Cb 0.17 -0.12 2.33 0.00 0.21 0.00 0.00 66.02 68.60 1bwm s SER 71 CO 0.78 0.02 2.32 -0.61 0.41 0.00 0.00 173.24 176.16 1bwm h GLN 72 N 4.08 0.00 0.00 12.44 4.15 -1.83 -1.39 115.11 132.55 1bwm h GLN 72 Ca -0.45 0.00 -0.16 0.00 0.77 0.00 0.00 58.65 58.81 1bwm h GLN 72 Cb 1.18 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.84 1bwm h GLN 72 CO 0.40 0.00 -2.06 0.39 -1.93 0.00 0.00 178.83 175.64 1bwm n GLU 73 N -3.10 0.67 -3.62 1.69 4.71 -1.26 -4.87 120.64 114.85 1bwm n GLU 73 Ca -0.03 -0.07 -0.35 0.00 -0.01 0.00 0.00 57.16 56.70 1bwm n GLU 73 Cb 0.11 -1.56 -0.05 0.00 -1.01 0.00 0.00 31.44 28.92 1bwm n GLU 73 CO 0.00 0.00 0.00 1.21 0.09 0.00 0.00 177.13 178.43 1bwm s ASN 74 N -5.05 6.61 -0.30 1.62 3.84 -0.52 -0.47 114.94 120.67 1bwm s ASN 74 Ca -0.08 0.74 -0.07 0.00 0.21 0.00 0.00 52.86 53.67 1bwm s ASN 74 Cb 0.10 -2.16 0.16 0.00 -0.55 0.00 0.00 41.25 38.80 1bwm s ASN 74 CO 0.86 0.19 0.66 0.12 -2.79 0.00 0.00 177.10 176.15 1bwm s PHE 75 N -1.37 -1.40 -0.07 0.43 2.19 -0.91 -4.16 117.98 112.70 1bwm s PHE 75 Ca 0.32 1.95 0.02 0.00 0.33 0.00 0.00 56.93 59.54 1bwm s PHE 75 Cb -0.14 0.66 -0.03 0.00 -1.31 0.00 0.00 43.02 42.21 1bwm s PHE 75 CO 0.18 -0.73 -0.11 -1.12 1.83 0.00 0.00 175.22 175.27 1bwm s SER 76 N 2.86 4.30 -0.06 6.13 0.01 -1.07 -1.19 113.70 124.68 1bwm s SER 76 Ca 0.06 -0.14 0.03 0.00 1.31 0.00 0.00 55.95 57.20 1bwm s SER 76 Cb -0.13 -1.12 0.01 0.00 0.21 0.00 0.00 66.02 64.99 1bwm s SER 76 CO -0.19 0.32 -0.13 -0.76 0.41 0.00 0.00 173.24 172.88 1bwm s LEU 77 N -0.55 1.70 0.28 2.44 2.01 -0.29 -2.15 118.68 122.11 1bwm s LEU 77 Ca 0.08 -0.31 -0.02 0.00 0.01 0.00 0.00 54.13 53.90 1bwm s LEU 77 Cb -0.12 -0.84 -0.02 0.00 0.01 0.00 0.00 46.19 45.22 1bwm s LEU 77 CO 0.02 0.05 0.33 0.27 1.01 0.00 0.00 176.35 178.03 1bwm s ILE 78 N 0.55 0.00 -0.21 -0.59 -0.00 0.70 -1.14 121.20 120.50 1bwm s ILE 78 Ca -0.13 -1.78 -0.10 0.00 -0.00 0.00 0.00 60.65 58.65 1bwm s ILE 78 Cb -0.15 -2.49 0.08 0.00 -0.00 0.00 0.00 42.46 39.91 1bwm s ILE 78 CO 0.04 0.00 0.49 -0.76 -0.00 0.00 0.00 174.94 174.70 1bwm s LEU 79 N -3.20 -0.57 -0.32 0.37 1.02 -0.92 -1.31 118.68 113.74 1bwm s LEU 79 Ca 0.34 1.12 0.10 0.00 0.02 0.00 0.00 54.13 55.71 1bwm s LEU 79 Cb 0.02 1.64 0.46 0.00 0.02 0.00 0.00 46.19 48.33 1bwm s LEU 79 CO 0.17 -0.22 1.15 -1.84 0.02 0.00 0.00 176.35 175.63 1bwm n GLU 80 N 4.85 3.13 -2.72 1.70 0.28 -1.26 0.42 120.64 127.03 1bwm n GLU 80 Ca -0.16 -4.08 -0.07 0.00 -0.16 0.00 0.00 57.16 52.69 1bwm n GLU 80 Cb 0.53 -2.11 0.06 0.00 1.43 0.00 0.00 31.44 31.35 1bwm n GLU 80 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1bwm n LEU 81 N -0.61 -2.36 -4.49 -1.84 4.77 -1.26 -4.73 117.00 106.48 1bwm n LEU 81 Ca 0.35 -2.81 -0.27 0.00 -0.03 0.00 0.00 56.01 53.25 1bwm n LEU 81 Cb 0.87 0.75 -0.11 0.00 -2.33 0.00 0.00 43.42 42.60 1bwm n LEU 81 CO 0.32 1.86 -0.48 0.00 -1.33 0.00 0.00 177.39 177.76 1bwm s ALA 82 N 0.50 2.70 0.41 -1.18 0.00 -1.26 -4.90 121.76 118.02 1bwm s ALA 82 Ca 0.30 -1.51 0.08 0.00 0.00 0.00 0.00 51.96 50.82 1bwm s ALA 82 Cb 0.22 -0.54 0.00 0.00 0.00 0.00 0.00 23.12 22.81 1bwm s ALA 82 CO -0.19 0.48 0.52 0.95 0.00 0.00 0.00 175.76 177.52 1bwm s THR 83 N -1.54 3.08 0.00 0.00 -4.23 -1.26 -0.54 115.64 111.15 1bwm s THR 83 Ca 0.21 -1.06 0.00 0.00 -1.18 0.00 0.00 61.69 59.66 1bwm s THR 83 Cb -0.09 -3.05 0.00 0.00 1.34 0.00 0.00 72.50 70.70 1bwm s THR 83 CO 0.11 -0.02 0.60 -0.81 -0.54 0.00 0.00 174.62 173.96 1bwm n PRO 84 N -1.77 0.39 -0.93 3.99 -0.05 -1.21 -2.68 135.00 132.75 1bwm n PRO 84 Ca 0.06 0.00 -0.00 0.00 -0.05 0.00 0.00 63.50 63.51 1bwm n PRO 84 Cb 0.59 -1.30 0.00 0.00 -0.05 0.00 0.00 33.50 32.74 1bwm n PRO 84 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 175.50 175.90 1bwm n SER 85 N 1.33 -0.05 0.00 3.54 2.88 -1.26 -4.98 113.62 115.08 1bwm n SER 85 Ca 0.00 -0.46 0.00 0.00 -1.33 0.00 0.00 58.87 57.08 1bwm n SER 85 Cb 0.20 0.02 0.00 0.00 -0.75 0.00 0.00 64.21 63.67 1bwm n SER 85 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1bwm n GLN 86 N -0.02 0.09 0.00 -1.46 1.13 -1.09 -5.10 117.38 110.93 1bwm n GLN 86 Ca -0.01 -0.43 0.00 0.00 -1.94 0.00 0.00 57.00 54.62 1bwm n GLN 86 Cb 0.37 -0.52 0.00 0.00 0.11 0.00 0.00 30.24 30.20 1bwm n GLN 86 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 1bwm n THR 87 N -0.02 0.00 -3.54 5.09 -1.04 -1.26 -4.88 114.28 108.63 1bwm n THR 87 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1bwm n THR 87 Cb 0.44 -1.68 0.00 0.00 -1.82 0.00 0.00 70.33 67.26 1bwm n THR 87 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1bwm n SER 88 N -1.12 0.00 -4.40 8.00 7.64 -1.11 -4.91 113.62 117.73 1bwm n SER 88 Ca 0.00 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.55 1bwm n SER 88 Cb 0.00 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.06 1bwm n SER 88 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1bwm s VAL 89 N -3.02 3.31 -0.25 0.44 1.01 -1.26 -2.21 120.40 118.43 1bwm s VAL 89 Ca 0.00 -0.56 -0.14 0.00 0.00 0.00 0.00 61.98 61.27 1bwm s VAL 89 Cb 0.00 -2.42 -0.04 0.00 0.00 0.00 0.00 36.38 33.92 1bwm s VAL 89 CO 0.00 0.50 0.35 -0.31 0.00 0.00 0.00 175.10 175.64 1bwm s TYR 90 N 0.49 3.29 -0.06 5.22 1.51 0.25 -1.92 117.35 126.13 1bwm s TYR 90 Ca -0.07 0.43 0.06 0.00 -1.01 0.00 0.00 57.07 56.48 1bwm s TYR 90 Cb -0.15 -2.51 -0.01 0.00 -0.11 0.00 0.00 41.96 39.17 1bwm s TYR 90 CO 0.04 -0.13 -0.23 -0.06 -1.11 0.00 0.00 175.55 174.05 1bwm s PHE 91 N 1.73 2.48 -0.17 2.71 0.08 -1.08 -1.49 117.98 122.22 1bwm s PHE 91 Ca 0.15 -0.65 -0.00 0.00 0.12 0.00 0.00 56.93 56.55 1bwm s PHE 91 Cb -0.15 -1.61 0.00 0.00 -0.57 0.00 0.00 43.02 40.69 1bwm s PHE 91 CO 0.09 -0.17 -0.15 0.00 -0.10 0.00 0.00 175.22 174.89 1bwm s ALA 93 N 1.06 1.06 0.00 0.00 0.00 -0.86 -2.09 121.76 120.93 1bwm s ALA 93 Ca -0.01 -1.52 0.00 0.00 0.00 0.00 0.00 51.96 50.43 1bwm s ALA 93 Cb -0.15 0.73 0.00 0.00 0.00 0.00 0.00 23.12 23.70 1bwm s ALA 93 CO -0.04 -0.42 0.00 -1.13 0.00 0.00 0.00 175.76 174.17 1bwm n SER 94 N -0.15 0.72 0.00 0.00 3.41 -1.23 0.03 113.62 116.39 1bwm n SER 94 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.55 1bwm n SER 94 Cb 0.63 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.58 1bwm n SER 94 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1bwm n GLY 95 N 2.80 2.39 0.00 5.00 0.00 -1.11 -2.13 105.19 112.15 1bwm n GLY 95 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.16 1bwm n GLY 95 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bwm n GLY 96 N -0.75 -0.82 3.56 -0.02 0.00 -1.26 -3.03 105.19 102.87 1bwm n GLY 96 Ca 0.00 -1.70 -0.34 0.00 0.00 0.00 0.00 46.02 43.98 1bwm n GLY 96 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1bwm s GLN 97 N -2.36 3.43 0.00 1.61 -0.21 -1.26 -4.72 119.66 116.15 1bwm s GLN 97 Ca 0.00 -0.48 0.00 0.00 0.02 0.00 0.00 55.36 54.90 1bwm s GLN 97 Cb 0.00 -2.88 0.00 0.00 1.00 0.00 0.00 33.01 31.13 1bwm s GLN 97 CO 0.00 0.40 0.00 0.41 -2.12 0.00 0.00 175.29 173.98 1bwm n GLY 98 N 3.05 1.04 2.67 3.09 0.00 -1.26 -4.82 105.19 108.96 1bwm n GLY 98 Ca -0.18 -0.75 -0.30 0.00 0.00 0.00 0.00 46.02 44.80 1bwm n GLY 98 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bwm s ARG 99 N 0.00 0.73 -0.13 1.61 0.52 -1.26 -4.30 118.95 116.12 1bwm s ARG 99 Ca 0.00 -1.21 -0.15 0.00 -0.52 0.00 0.00 55.73 53.85 1bwm s ARG 99 Cb 0.00 -1.86 0.04 0.00 0.52 0.00 0.00 34.95 33.65 1bwm s ARG 99 CO 0.00 -1.05 0.41 0.00 0.02 0.00 0.00 175.30 174.68 1bwm s ALA 104 N 1.37 -1.02 1.30 2.13 0.00 -1.26 -4.45 121.76 119.83 1bwm s ALA 104 Ca 0.12 1.06 -0.20 0.00 0.00 0.00 0.00 51.96 52.94 1bwm s ALA 104 Cb -0.19 -0.56 0.32 0.00 0.00 0.00 0.00 23.12 22.69 1bwm s ALA 104 CO -0.19 -0.21 1.02 -1.83 0.00 0.00 0.00 175.76 174.55 1bwm s GLU 105 N -0.03 -1.97 -0.16 0.00 -1.05 -1.25 -3.34 118.70 110.90 1bwm s GLU 105 Ca -0.02 0.14 -0.07 0.00 -0.15 0.00 0.00 54.97 54.86 1bwm s GLU 105 Cb -0.03 -1.49 -0.04 0.00 -0.44 0.00 0.00 34.13 32.13 1bwm s GLU 105 CO 0.01 -4.25 0.10 -0.65 0.95 0.00 0.00 175.26 171.42 1bwm s GLN 106 N -5.14 3.76 -1.25 -4.83 -0.21 -1.26 -4.43 119.66 106.30 1bwm s GLN 106 Ca 0.69 -0.26 -0.12 0.00 0.02 0.00 0.00 55.36 55.70 1bwm s GLN 106 Cb -0.13 -3.21 0.16 0.00 1.00 0.00 0.00 33.01 30.83 1bwm s GLN 106 CO 0.58 0.48 1.68 1.19 -2.12 0.00 0.00 175.29 177.10 1bwm n PHE 107 N 2.92 3.94 -1.66 0.91 3.01 -0.90 -4.59 117.46 121.07 1bwm n PHE 107 Ca -0.18 -3.06 -0.43 0.00 1.01 0.00 0.00 57.45 54.80 1bwm n PHE 107 Cb 0.53 -2.09 -0.03 0.00 -0.01 0.00 0.00 39.48 37.88 1bwm n PHE 107 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 1bwm s PHE 108 N 1.11 1.26 0.00 1.38 0.08 -1.26 -3.50 117.98 117.05 1bwm s PHE 108 Ca 0.42 0.29 0.00 0.00 0.12 0.00 0.00 56.93 57.76 1bwm s PHE 108 Cb 0.04 -4.02 0.00 0.00 -0.57 0.00 0.00 43.02 38.47 1bwm s PHE 108 CO 0.00 -4.35 0.00 0.41 -0.10 0.00 0.00 175.22 171.18 1bwm n GLY 109 N 5.39 0.89 3.71 4.36 0.00 -0.89 -4.72 105.19 113.94 1bwm n GLY 109 Ca 0.26 -1.77 -0.35 0.00 0.00 0.00 0.00 46.02 44.17 1bwm n GLY 109 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1bwm s PRO 110 N 1.64 2.09 0.23 1.61 0.01 -1.26 -4.76 135.00 134.56 1bwm s PRO 110 Ca 0.00 1.93 0.02 0.00 0.01 0.00 0.00 61.00 62.97 1bwm s PRO 110 Cb 0.00 -1.81 -0.01 0.00 0.01 0.00 0.00 34.50 32.69 1bwm s PRO 110 CO 0.00 -1.91 0.09 0.41 0.01 0.00 0.00 177.00 175.60 1bwm n GLY 111 N 0.73 3.59 3.28 0.52 0.00 -1.26 -4.11 105.19 107.94 1bwm n GLY 111 Ca 0.15 -2.02 -0.13 0.00 0.00 0.00 0.00 46.02 44.02 1bwm n GLY 111 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bwm s THR 112 N -2.45 -0.01 -0.20 2.61 2.01 -0.56 -4.97 115.64 112.08 1bwm s THR 112 Ca 0.13 0.02 -0.00 0.00 0.31 0.00 0.00 61.69 62.14 1bwm s THR 112 Cb 0.01 -0.57 0.05 0.00 0.01 0.00 0.00 72.50 72.00 1bwm s THR 112 CO 0.09 0.01 -0.04 0.00 -0.69 0.00 0.00 174.62 173.98 1bwm s ARG 113 N 0.43 1.43 0.11 4.92 1.70 -1.26 0.87 118.95 127.15 1bwm s ARG 113 Ca -0.02 -0.71 0.02 0.00 -0.47 0.00 0.00 55.73 54.55 1bwm s ARG 113 Cb -0.04 -2.28 -0.04 0.00 -0.57 0.00 0.00 34.95 32.02 1bwm s ARG 113 CO -0.02 -0.53 -0.05 -0.48 -1.08 0.00 0.00 175.30 173.14 1bwm s LEU 114 N 1.56 2.42 0.05 -1.89 0.05 -0.94 -4.93 118.68 115.01 1bwm s LEU 114 Ca -0.02 -1.04 0.09 0.00 0.05 0.00 0.00 54.13 53.21 1bwm s LEU 114 Cb -0.17 -0.05 -0.03 0.00 -2.05 0.00 0.00 46.19 43.89 1bwm s LEU 114 CO -0.07 -0.50 -0.25 -0.89 -0.55 0.00 0.00 176.35 174.09 1bwm s THR 115 N -3.66 2.27 -0.48 5.48 2.01 -1.26 -2.76 115.64 117.24 1bwm s THR 115 Ca 0.14 -1.36 -0.13 0.00 0.31 0.00 0.00 61.69 60.65 1bwm s THR 115 Cb 0.06 -1.90 0.10 0.00 0.01 0.00 0.00 72.50 70.77 1bwm s THR 115 CO -0.03 0.36 0.39 -0.69 -0.69 0.00 0.00 174.62 173.95 1bwm s VAL 116 N -0.83 4.76 -0.14 3.82 1.01 -1.24 -2.61 120.40 125.16 1bwm s VAL 116 Ca 0.12 -1.46 -0.34 0.00 0.00 0.00 0.00 61.98 60.30 1bwm s VAL 116 Cb -0.10 -4.00 0.13 0.00 0.00 0.00 0.00 36.38 32.41 1bwm s VAL 116 CO 0.03 -0.71 1.14 -1.48 0.00 0.00 0.00 175.10 174.08 1bwm s LEU 116 N 1.51 -0.18 -0.43 3.92 -0.00 -0.17 -3.29 118.68 120.03 1bwm s LEU 116 Ca 0.04 -0.01 -0.29 0.00 -0.00 0.00 0.00 54.13 53.87 1bwm s LEU 116 Cb -0.26 1.53 0.01 0.00 -0.00 0.00 0.00 46.19 47.46 1bwm s LEU 116 CO 0.03 -0.32 1.39 -0.83 -0.00 0.00 0.00 176.35 176.61 1bwm s GLY 201 N -2.28 1.10 0.00 -3.48 0.00 -1.26 -3.98 107.32 97.42 1bwm s GLY 201 Ca 0.09 -0.22 0.00 0.00 0.00 0.00 0.00 44.72 44.59 1bwm s GLY 201 CO -0.05 2.74 0.00 -1.14 0.00 0.00 0.00 173.10 174.65 1bwm n SER 202 N 8.80 1.85 -2.71 1.64 3.41 -1.26 -5.02 113.62 120.33 1bwm n SER 202 Ca 0.16 -0.66 -0.07 0.00 -0.26 0.00 0.00 58.87 58.04 1bwm n SER 202 Cb 0.48 0.00 0.10 0.00 -0.26 0.00 0.00 64.21 64.53 1bwm n SER 202 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1bwm n ASP 203 N -0.75 -1.98 0.05 4.04 2.03 -1.26 -5.00 116.55 113.67 1bwm n ASP 203 Ca 0.00 -2.90 0.00 0.00 0.52 0.00 0.00 54.79 52.41 1bwm n ASP 203 Cb 0.00 1.44 0.00 0.00 -0.72 0.00 0.00 41.12 41.84 1bwm n ASP 203 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1bwm n TYR 204 N -0.07 -2.53 -2.78 -0.67 9.36 -1.26 -5.12 117.16 114.09 1bwm n TYR 204 Ca -0.01 0.32 -0.03 0.00 3.32 0.00 0.00 57.90 61.50 1bwm n TYR 204 Cb 0.76 1.16 -0.02 0.00 -0.63 0.00 0.00 39.34 40.60 1bwm n TYR 204 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 1bwm n LYS 205 N -2.72 -3.34 -0.03 2.98 4.81 -1.26 -5.02 118.16 113.58 1bwm n LYS 205 Ca 0.00 2.65 0.00 0.00 -0.87 0.00 0.00 58.31 60.09 1bwm n LYS 205 Cb 0.00 -3.99 0.00 0.00 0.02 0.00 0.00 35.03 31.06 1bwm n LYS 205 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1bwm n ASP 206 N 1.59 0.00 -3.13 3.14 2.03 -1.26 -5.10 116.55 113.82 1bwm n ASP 206 Ca -0.21 -0.10 0.00 0.00 0.52 0.00 0.00 54.79 55.00 1bwm n ASP 206 Cb 0.37 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.76 1bwm n ASP 206 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 1bwm s ASP 207 N -1.00 -1.50 -0.16 1.67 1.01 -1.26 -5.11 116.67 110.33 1bwm s ASP 207 Ca 0.00 -0.91 -0.08 0.00 0.71 0.00 0.00 52.55 52.27 1bwm s ASP 207 Cb 0.00 1.93 -0.04 0.00 1.01 0.00 0.00 42.92 45.81 1bwm s ASP 207 CO 0.00 -0.15 0.13 -1.81 0.21 0.00 0.00 175.17 173.55 1bwm s ASP 208 N 1.70 6.25 0.30 0.27 1.11 -1.26 -5.10 116.67 119.95 1bwm s ASP 208 Ca 0.18 0.34 0.09 0.00 0.18 0.00 0.00 52.55 53.34 1bwm s ASP 208 Cb -0.03 -2.06 -0.04 0.00 1.07 0.00 0.00 42.92 41.86 1bwm s ASP 208 CO -0.07 0.30 0.06 -0.62 1.18 0.00 0.00 175.17 176.02 1bwm s ASP 209 N -0.38 4.59 0.39 0.27 2.15 -1.26 -5.03 116.67 117.40 1bwm s ASP 209 Ca 0.11 -0.72 -0.12 0.00 0.43 0.00 0.00 52.55 52.26 1bwm s ASP 209 Cb -0.12 -0.79 0.05 0.00 -0.30 0.00 0.00 42.92 41.76 1bwm s ASP 209 CO 0.01 -0.14 0.72 -1.59 -0.17 0.00 0.00 175.17 174.00 1bwm s LYS 210 N -3.75 2.21 0.00 4.34 -2.85 -1.26 -5.14 119.74 113.30 1bwm s LYS 210 Ca 0.34 -1.58 0.00 0.00 -1.00 0.00 0.00 55.97 53.73 1bwm s LYS 210 Cb -0.04 0.58 0.00 0.00 -2.06 0.00 0.00 37.83 36.31 1bwm s LYS 210 CO 0.21 -1.01 0.00 0.54 0.10 0.00 0.00 175.35 175.19 1bwm n ARG 211 N -0.55 0.00 -3.64 1.78 3.00 -1.26 -5.16 116.66 110.82 1bwm n ARG 211 Ca -0.06 0.00 -0.02 0.00 -0.01 0.00 0.00 57.85 57.76 1bwm n ARG 211 Cb 0.60 0.00 -0.04 0.00 0.00 0.00 0.00 32.46 33.02 1bwm n ARG 211 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1bwm s SER 212 N 1.00 -0.03 0.00 0.55 1.04 -1.26 -4.91 113.70 110.09 1bwm s SER 212 Ca 0.00 0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.46 1bwm s SER 212 Cb 0.00 0.02 0.00 0.00 0.10 0.00 0.00 66.02 66.14 1bwm s SER 212 CO 0.00 -0.03 0.00 0.61 0.98 0.00 0.00 173.24 174.80 1bwm n GLY 213 N 0.45 1.88 0.00 7.32 0.00 -1.26 -4.80 105.19 108.77 1bwm n GLY 213 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1bwm n GLY 213 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bwm n GLY 214 N 3.62 0.66 0.00 -0.02 0.00 -1.26 -4.94 105.19 103.24 1bwm n GLY 214 Ca 0.00 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 43.88 1bwm n GLY 214 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bwm n GLY 215 N 0.00 -0.79 0.00 -0.02 0.00 -1.26 -4.84 105.19 98.28 1bwm n GLY 215 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1bwm n GLY 215 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bwm n GLY 216 N 0.00 1.51 3.34 -0.02 0.00 -1.26 -5.07 105.19 103.68 1bwm n GLY 216 Ca 0.00 -0.21 -0.46 0.00 0.00 0.00 0.00 46.02 45.35 1bwm n GLY 216 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bwm s SER 217 N 2.00 7.05 0.08 1.61 0.01 -1.26 -5.02 113.70 118.17 1bwm s SER 217 Ca 0.00 -3.15 0.00 0.00 1.31 0.00 0.00 55.95 54.11 1bwm s SER 217 Cb 0.00 -2.21 0.00 0.00 0.21 0.00 0.00 66.02 64.02 1bwm s SER 217 CO 0.00 -0.43 0.00 0.61 0.41 0.00 0.00 173.24 173.83 1bwm n GLY 218 N 3.33 1.34 0.00 3.44 0.00 -1.26 -5.10 105.19 106.94 1bwm n GLY 218 Ca 0.19 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 44.22 1bwm n GLY 218 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bwm n GLY 219 N 5.00 -2.09 2.59 -0.02 0.00 -1.25 -4.86 105.19 104.55 1bwm n GLY 219 Ca 0.00 -1.13 -0.23 0.00 0.00 0.00 0.00 46.02 44.66 1bwm n GLY 219 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bwm n GLY 220 N 1.25 3.72 0.00 -0.02 0.00 -1.26 -3.94 105.19 104.94 1bwm n GLY 220 Ca 0.00 -2.30 0.00 0.00 0.00 0.00 0.00 46.02 43.72 1bwm n GLY 220 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bwm n GLY 221 N 0.61 0.44 3.87 -0.02 0.00 -1.21 -4.67 105.19 104.22 1bwm n GLY 221 Ca -0.14 0.66 -0.33 0.00 0.00 0.00 0.00 46.02 46.21 1bwm n GLY 221 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bwm s SER 222 N 0.00 6.63 0.22 1.61 0.01 -1.26 -4.07 113.70 116.85 1bwm s SER 222 Ca 0.00 0.83 -0.16 0.00 1.31 0.00 0.00 55.95 57.93 1bwm s SER 222 Cb 0.00 -2.19 0.01 0.00 0.21 0.00 0.00 66.02 64.05 1bwm s SER 222 CO 0.00 0.06 0.53 -0.83 0.41 0.00 0.00 173.24 173.41 1bwm s GLY 223 N -2.08 0.13 0.00 3.44 0.00 -1.26 -4.03 107.32 103.52 1bwm s GLY 223 Ca 0.40 -0.47 0.00 0.00 0.00 0.00 0.00 44.72 44.65 1bwm s GLY 223 CO 0.21 -0.37 0.00 0.61 0.00 0.00 0.00 173.10 173.54 1bwm n GLY 224 N -0.37 0.22 0.98 0.20 0.00 -1.02 -3.57 105.19 101.64 1bwm n GLY 224 Ca -0.06 -0.02 -0.05 0.00 0.00 0.00 0.00 46.02 45.89 1bwm n GLY 224 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1bwm n SER 225 N 0.00 -0.36 -2.65 1.61 2.88 -1.22 -4.89 113.62 108.99 1bwm n SER 225 Ca 0.00 -1.58 -0.03 0.00 -1.33 0.00 0.00 58.87 55.93 1bwm n SER 225 Cb 0.00 0.69 0.09 0.00 -0.75 0.00 0.00 64.21 64.25 1bwm n SER 225 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1bwm n GLY 226 N -0.17 -1.93 3.56 0.46 0.00 -1.26 -1.34 105.19 104.50 1bwm n GLY 226 Ca 0.01 1.07 -0.38 0.00 0.00 0.00 0.00 46.02 46.72 1bwm n GLY 226 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bwm s ALA 227 N 0.02 2.48 -0.24 4.61 0.00 -1.26 -4.83 121.76 122.53 1bwm s ALA 227 Ca 0.23 -1.82 0.02 0.00 0.00 0.00 0.00 51.96 50.40 1bwm s ALA 227 Cb 0.24 -4.46 0.05 0.00 0.00 0.00 0.00 23.12 18.95 1bwm s ALA 227 CO -0.12 -3.80 -0.12 -1.14 0.00 0.00 0.00 175.76 170.58 1bwm s GLN 301 N 5.67 2.29 -0.09 0.00 0.74 -1.26 -5.00 119.66 122.01 1bwm s GLN 301 Ca 0.50 -1.23 -0.03 0.00 0.05 0.00 0.00 55.36 54.65 1bwm s GLN 301 Cb -0.04 -2.80 -0.04 0.00 1.10 0.00 0.00 33.01 31.22 1bwm s GLN 301 CO -0.01 -0.52 -0.10 1.04 -0.55 0.00 0.00 175.29 175.15 1bwm n GLN 302 N 4.48 0.20 -1.68 1.67 6.02 -1.26 -4.95 117.38 121.86 1bwm n GLN 302 Ca -0.15 0.07 -0.44 0.00 -0.01 0.00 0.00 57.00 56.48 1bwm n GLN 302 Cb 0.43 -0.92 -0.02 0.00 1.02 0.00 0.00 30.24 30.76 1bwm n GLN 302 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1bwm n VAL 303 N -3.21 1.44 -3.58 5.09 0.31 -1.26 -3.55 118.33 113.57 1bwm n VAL 303 Ca -0.17 -0.36 -0.29 0.00 -0.01 0.00 0.00 64.34 63.51 1bwm n VAL 303 Cb 0.64 -1.48 -0.15 0.00 -0.91 0.00 0.00 33.84 31.94 1bwm n VAL 303 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 1bwm s ARG 304 N -1.08 0.30 0.03 5.55 6.06 -1.11 -4.17 118.95 124.53 1bwm s ARG 304 Ca 0.62 -0.62 -0.19 0.00 -2.50 0.00 0.00 55.73 53.04 1bwm s ARG 304 Cb -0.62 -1.36 -0.06 0.00 0.06 0.00 0.00 34.95 32.97 1bwm s ARG 304 CO 0.55 -1.00 0.55 -0.65 -2.50 0.00 0.00 175.30 172.25 1bwm s GLN 305 N 2.00 4.20 -0.79 5.12 -0.21 -1.26 -1.15 119.66 127.58 1bwm s GLN 305 Ca 0.09 0.67 -0.34 0.00 0.02 0.00 0.00 55.36 55.81 1bwm s GLN 305 Cb -0.16 -3.28 -0.19 0.00 1.00 0.00 0.00 33.01 30.38 1bwm s GLN 305 CO -0.33 0.54 2.51 0.45 -2.12 0.00 0.00 175.29 176.33 1bwm n SER 306 N 2.15 0.75 -3.71 5.90 2.88 -0.25 -4.84 113.62 116.51 1bwm n SER 306 Ca -0.10 0.23 0.00 0.00 -1.33 0.00 0.00 58.87 57.67 1bwm n SER 306 Cb 0.51 -1.02 0.00 0.00 -0.75 0.00 0.00 64.21 62.96 1bwm n SER 306 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1bwm n PRO 307 N 8.32 1.38 -1.34 -1.46 -0.05 -1.26 -4.26 135.00 136.32 1bwm n PRO 307 Ca 0.59 0.00 -0.12 0.00 -0.05 0.00 0.00 63.50 63.92 1bwm n PRO 307 Cb 0.09 0.00 -0.05 0.00 -0.05 0.00 0.00 33.50 33.49 1bwm n PRO 307 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 175.50 176.39 1bwm n GLN 308 N 0.00 -1.69 0.00 0.54 0.00 -1.26 -4.76 117.38 110.21 1bwm n GLN 308 Ca 0.00 0.91 0.00 0.00 -0.00 0.00 0.00 57.00 57.91 1bwm n GLN 308 Cb 0.00 -5.35 0.00 0.00 0.00 0.00 0.00 30.24 24.89 1bwm n GLN 308 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1bwm n SER 309 N -1.21 -1.55 -3.50 1.69 2.88 -1.26 -4.91 113.62 105.76 1bwm n SER 309 Ca -0.12 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.42 1bwm n SER 309 Cb 0.60 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 64.01 1bwm n SER 309 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 1bwm s LEU 310 N 0.00 -0.52 -0.11 2.46 2.96 -1.24 -4.95 118.68 117.28 1bwm s LEU 310 Ca 0.00 0.76 -0.08 0.00 -0.22 0.00 0.00 54.13 54.59 1bwm s LEU 310 Cb 0.00 1.66 -0.04 0.00 0.50 0.00 0.00 46.19 48.31 1bwm s LEU 310 CO 0.00 -0.11 0.18 -0.89 -1.32 0.00 0.00 176.35 174.21 1bwm s THR 311 N 1.96 5.43 0.10 3.68 2.01 -1.26 -2.17 115.64 125.40 1bwm s THR 311 Ca -0.05 0.30 0.01 0.00 0.31 0.00 0.00 61.69 62.26 1bwm s THR 311 Cb -0.05 -3.45 -0.04 0.00 0.01 0.00 0.00 72.50 68.97 1bwm s THR 311 CO -0.16 0.60 -0.02 0.54 -0.69 0.00 0.00 174.62 174.89 1bwm s VAL 312 N -0.96 0.47 -0.03 3.82 0.11 -0.56 -4.96 120.40 118.28 1bwm s VAL 312 Ca 0.16 -1.91 -0.17 0.00 -2.93 0.00 0.00 61.98 57.13 1bwm s VAL 312 Cb -0.13 -1.78 -0.05 0.00 -1.53 0.00 0.00 36.38 32.89 1bwm s VAL 312 CO 0.05 -0.76 0.48 0.26 -3.33 0.00 0.00 175.10 171.80 1bwm s TRP 313 N -3.78 3.66 0.18 1.54 0.23 -1.26 -3.54 118.94 115.97 1bwm s TRP 313 Ca 0.15 1.02 -0.32 0.00 -2.03 0.00 0.00 56.10 54.92 1bwm s TRP 313 Cb 0.07 -2.46 -0.11 0.00 0.03 0.00 0.00 33.47 30.99 1bwm s TRP 313 CO -0.03 0.43 1.77 -1.83 0.96 0.00 0.00 176.95 178.24 1bwm s GLU 314 N -0.35 4.12 0.00 4.98 4.04 -1.24 -2.10 118.70 128.15 1bwm s GLU 314 Ca 0.26 2.62 0.00 0.00 0.04 0.00 0.00 54.97 57.89 1bwm s GLU 314 Cb -0.17 -3.27 0.00 0.00 0.02 0.00 0.00 34.13 30.72 1bwm s GLU 314 CO 0.13 -0.79 0.00 0.41 -1.84 0.00 0.00 175.26 173.17 1bwm n GLY 315 N 4.09 2.96 0.00 -3.83 0.00 -1.17 -4.98 105.19 102.26 1bwm n GLY 315 Ca 0.17 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.27 1bwm n GLY 315 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1bwm n GLU 316 N 0.00 1.63 -4.23 1.61 2.13 -0.89 -3.73 120.64 117.16 1bwm n GLU 316 Ca 0.00 0.00 -0.28 0.00 0.66 0.00 0.00 57.16 57.54 1bwm n GLU 316 Cb 0.00 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 31.66 1bwm n GLU 316 CO 0.00 0.00 0.00 -0.08 -0.41 0.00 0.00 177.13 176.64 1bwm s THR 317 N 0.00 1.74 0.05 6.31 -1.32 -1.26 -3.51 115.64 117.65 1bwm s THR 317 Ca 0.00 -1.71 -0.01 0.00 -1.21 0.00 0.00 61.69 58.75 1bwm s THR 317 Cb 0.00 -2.45 -0.04 0.00 -1.51 0.00 0.00 72.50 68.50 1bwm s THR 317 CO 0.00 0.00 -0.02 -0.89 -2.21 0.00 0.00 174.62 171.50 1bwm s THR 318 N -2.74 0.21 0.01 5.08 2.01 -0.52 -4.83 115.64 114.86 1bwm s THR 318 Ca 0.28 -1.80 0.03 0.00 0.31 0.00 0.00 61.69 60.51 1bwm s THR 318 Cb 0.01 -1.54 -0.01 0.00 0.01 0.00 0.00 72.50 70.97 1bwm s THR 318 CO 0.16 -0.97 -0.08 -0.63 -0.69 0.00 0.00 174.62 172.42 1bwm s ILE 319 N -3.93 0.63 0.11 1.82 1.09 -1.26 -2.58 121.20 117.08 1bwm s ILE 319 Ca 0.08 -0.52 0.08 0.00 -1.10 0.00 0.00 60.65 59.18 1bwm s ILE 319 Cb 0.08 -0.57 -0.03 0.00 -1.06 0.00 0.00 42.46 40.88 1bwm s ILE 319 CO -0.09 0.05 -0.19 -0.22 -0.10 0.00 0.00 174.94 174.38 1bwm s LEU 320 N -0.53 2.32 -0.29 2.97 0.20 -0.99 -4.97 118.68 117.39 1bwm s LEU 320 Ca 0.00 -0.70 -0.02 0.00 0.69 0.00 0.00 54.13 54.10 1bwm s LEU 320 Cb -0.05 -0.81 0.10 0.00 -0.43 0.00 0.00 46.19 45.00 1bwm s LEU 320 CO 0.00 0.02 0.11 0.20 -0.29 0.00 0.00 176.35 176.39 1bwm s ASN 321 N -1.99 3.72 0.11 3.68 0.01 -1.26 -2.60 114.94 116.62 1bwm s ASN 321 Ca 0.06 -1.42 0.02 0.00 -0.71 0.00 0.00 52.86 50.81 1bwm s ASN 321 Cb -0.09 -0.61 -0.04 0.00 0.41 0.00 0.00 41.25 40.92 1bwm s ASN 321 CO 0.04 -0.42 0.25 0.00 -1.51 0.00 0.00 177.10 175.46 1bwm n SER 323 N -0.20 1.13 -3.62 0.00 2.88 -0.30 -1.45 113.62 112.06 1bwm n SER 323 Ca -0.06 -1.82 -0.01 0.00 -1.33 0.00 0.00 58.87 55.64 1bwm n SER 323 Cb 0.53 0.38 0.00 0.00 -0.75 0.00 0.00 64.21 64.36 1bwm n SER 323 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 1bwm s TYR 324 N -2.09 -0.03 0.00 0.66 1.13 -1.23 -2.74 117.35 113.04 1bwm s TYR 324 Ca 0.07 -0.23 0.00 0.00 -1.41 0.00 0.00 57.07 55.51 1bwm s TYR 324 Cb 0.00 0.62 0.00 0.00 -1.10 0.00 0.00 41.96 41.49 1bwm s TYR 324 CO 0.05 -0.65 0.91 -1.91 -2.51 0.00 0.00 175.55 171.44 1bwm n GLU 325 N -0.58 0.00 -2.87 -3.49 4.07 -1.25 -4.83 120.64 111.69 1bwm n GLU 325 Ca -0.05 -0.87 -0.27 0.00 -0.06 0.00 0.00 57.16 55.91 1bwm n GLU 325 Cb 0.61 0.46 -0.01 0.00 -0.06 0.00 0.00 31.44 32.44 1bwm n GLU 325 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 1bwm s ASP 326 N -0.87 6.29 -0.28 4.31 2.15 -1.26 -4.99 116.67 122.03 1bwm s ASP 326 Ca 0.00 0.81 0.10 0.00 0.43 0.00 0.00 52.55 53.89 1bwm s ASP 326 Cb 0.00 -2.19 0.51 0.00 -0.30 0.00 0.00 42.92 40.94 1bwm s ASP 326 CO 0.00 -0.48 1.47 -1.20 -0.17 0.00 0.00 175.17 174.79 1bwm n SER 327 N -2.03 2.75 -0.86 -0.34 7.64 -1.26 -4.55 113.62 114.97 1bwm n SER 327 Ca -0.01 -3.64 -0.05 0.00 1.01 0.00 0.00 58.87 56.18 1bwm n SER 327 Cb 0.55 -0.63 -0.05 0.00 -1.01 0.00 0.00 64.21 63.07 1bwm n SER 327 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1bwm n THR 328 N -1.03 0.00 -1.69 0.44 5.66 -1.26 -5.15 114.28 111.26 1bwm n THR 328 Ca 0.32 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 61.02 1bwm n THR 328 Cb 1.04 0.36 0.21 0.00 -1.55 0.00 0.00 70.33 70.39 1bwm n THR 328 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 175.07 172.74 1bwm s PHE 329 N 0.00 1.13 0.00 1.09 -0.12 -1.26 -4.28 117.98 114.53 1bwm s PHE 329 Ca 0.00 0.32 0.00 0.00 -0.05 0.00 0.00 56.93 57.20 1bwm s PHE 329 Cb 0.00 -3.98 0.00 0.00 -0.63 0.00 0.00 43.02 38.41 1bwm s PHE 329 CO 0.00 -3.10 0.00 -3.47 -0.05 0.00 0.00 175.22 168.60 1bwm n ASP 330 N -4.11 0.00 -4.30 1.98 2.03 -1.26 -4.67 116.55 106.22 1bwm n ASP 330 Ca 0.15 0.00 -0.20 0.00 0.52 0.00 0.00 54.79 55.27 1bwm n ASP 330 Cb 0.59 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.88 1bwm n ASP 330 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 1bwm s TYR 331 N -0.98 1.63 -0.40 -0.67 2.02 -1.26 -4.42 117.35 113.27 1bwm s TYR 331 Ca 0.00 -0.53 0.08 0.00 -0.37 0.00 0.00 57.07 56.25 1bwm s TYR 331 Cb 0.00 -0.82 0.25 0.00 -0.40 0.00 0.00 41.96 41.00 1bwm s TYR 331 CO 0.00 0.25 0.56 1.19 -1.57 0.00 0.00 175.55 175.98 1bwm n PHE 332 N 0.28 -0.57 -1.73 2.71 3.72 -1.26 -1.34 117.46 119.27 1bwm n PHE 332 Ca -0.13 -3.44 -0.42 0.00 -0.05 0.00 0.00 57.45 53.41 1bwm n PHE 332 Cb 0.58 -0.21 -0.03 0.00 -0.94 0.00 0.00 39.48 38.88 1bwm n PHE 332 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 1bwm s PRO 333 N -1.10 3.86 0.09 -1.08 0.02 -1.25 -4.34 135.00 131.20 1bwm s PRO 333 Ca 0.35 2.33 -0.24 0.00 0.02 0.00 0.00 61.00 63.47 1bwm s PRO 333 Cb 0.18 -4.18 -0.07 0.00 0.02 0.00 0.00 34.50 30.45 1bwm s PRO 333 CO -0.12 -1.26 0.72 1.67 -0.33 0.00 0.00 177.00 177.68 1bwm s TRP 334 N 5.44 3.80 0.51 6.54 1.48 -1.03 -4.15 118.94 131.53 1bwm s TRP 334 Ca 0.88 1.47 0.07 0.00 -1.06 0.00 0.00 56.10 57.46 1bwm s TRP 334 Cb -0.38 -2.73 0.07 0.00 -1.16 0.00 0.00 33.47 29.28 1bwm s TRP 334 CO 0.38 0.42 0.56 0.66 -4.06 0.00 0.00 176.95 174.91 1bwm n TYR 335 N 2.20 -1.60 -3.40 1.66 4.02 -0.42 -2.88 117.16 116.73 1bwm n TYR 335 Ca -0.05 -1.99 -0.16 0.00 -0.01 0.00 0.00 57.90 55.69 1bwm n TYR 335 Cb 0.50 -0.45 -0.10 0.00 -0.02 0.00 0.00 39.34 39.27 1bwm n TYR 335 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1bwm s ARG 336 N -4.21 0.31 -0.11 -0.72 0.52 -0.44 -2.61 118.95 111.69 1bwm s ARG 336 Ca 0.43 0.01 -0.06 0.00 -0.52 0.00 0.00 55.73 55.59 1bwm s ARG 336 Cb -0.03 -0.69 -0.04 0.00 0.52 0.00 0.00 34.95 34.71 1bwm s ARG 336 CO 0.27 -0.93 0.11 -1.14 0.02 0.00 0.00 175.30 173.63 1bwm s GLN 337 N 2.39 3.34 0.27 3.54 0.74 0.15 -2.49 119.66 127.60 1bwm s GLN 337 Ca 0.09 -0.20 0.08 0.00 0.05 0.00 0.00 55.36 55.39 1bwm s GLN 337 Cb -0.14 -3.10 -0.04 0.00 1.10 0.00 0.00 33.01 30.83 1bwm s GLN 337 CO -0.28 0.76 0.10 -0.06 -0.55 0.00 0.00 175.29 175.27 1bwm s PHE 338 N -1.01 2.87 0.47 1.67 0.08 -1.25 0.47 117.98 121.28 1bwm s PHE 338 Ca 0.15 -0.20 0.17 0.00 0.12 0.00 0.00 56.93 57.17 1bwm s PHE 338 Cb -0.12 -1.35 1.16 0.00 -0.57 0.00 0.00 43.02 42.14 1bwm s PHE 338 CO 0.04 0.53 2.06 -1.00 -0.10 0.00 0.00 175.22 176.75 1bwm h PRO 339 N 1.66 0.00 0.00 0.24 0.14 -1.93 -3.37 132.00 128.73 1bwm h PRO 339 Ca -0.46 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.68 1bwm h PRO 339 Cb 1.25 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.39 1bwm h PRO 339 CO 0.61 0.12 -0.66 0.41 0.14 0.00 0.00 178.00 178.62 1bwm n GLY 340 N -1.15 0.00 3.63 1.56 0.00 -1.26 -5.07 105.19 102.90 1bwm n GLY 340 Ca -0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 1bwm n GLY 340 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1bwm n LYS 341 N -2.77 -0.45 -2.82 1.61 4.01 -1.26 -4.92 118.16 111.56 1bwm n LYS 341 Ca 0.00 -0.07 -0.34 0.00 -0.51 0.00 0.00 58.31 57.39 1bwm n LYS 341 Cb 0.33 -2.30 -0.07 0.00 -0.51 0.00 0.00 35.03 32.48 1bwm n LYS 341 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 1bwm s SER 342 N -2.55 7.06 1.12 4.39 0.01 -1.26 -3.81 113.70 118.66 1bwm s SER 342 Ca 0.66 1.72 -0.12 0.00 1.31 0.00 0.00 55.95 59.51 1bwm s SER 342 Cb -0.23 -2.55 0.26 0.00 0.21 0.00 0.00 66.02 63.71 1bwm s SER 342 CO 0.59 -0.26 1.05 -2.16 0.41 0.00 0.00 173.24 172.88 1bwm s PRO 343 N -2.80 -0.55 -0.10 12.44 0.05 -1.26 -4.60 135.00 138.18 1bwm s PRO 343 Ca 0.58 0.85 -0.30 0.00 0.05 0.00 0.00 61.00 62.18 1bwm s PRO 343 Cb -0.12 -1.60 0.12 0.00 0.05 0.00 0.00 34.50 32.95 1bwm s PRO 343 CO 0.17 -3.48 1.00 0.00 0.05 0.00 0.00 177.00 174.73 1bwm s ALA 344 N -2.56 -1.92 0.37 8.56 0.00 -1.04 -4.36 121.76 120.81 1bwm s ALA 344 Ca 0.68 1.36 -0.08 0.00 0.00 0.00 0.00 51.96 53.92 1bwm s ALA 344 Cb -0.24 -0.17 -0.06 0.00 0.00 0.00 0.00 23.12 22.65 1bwm s ALA 344 CO 0.63 -0.51 0.69 -1.17 0.00 0.00 0.00 175.76 175.40 1bwm s LEU 345 N -1.85 3.91 0.03 0.00 2.96 -1.26 -1.33 118.68 121.13 1bwm s LEU 345 Ca 0.03 0.97 -0.01 0.00 -0.22 0.00 0.00 54.13 54.91 1bwm s LEU 345 Cb -0.01 -3.83 -0.00 0.00 0.50 0.00 0.00 46.19 42.85 1bwm s LEU 345 CO -0.04 -0.33 -0.01 0.18 -1.32 0.00 0.00 176.35 174.82 1bwm n LEU 346 N -1.21 0.42 0.00 -0.68 7.99 -1.14 -4.92 117.00 117.46 1bwm n LEU 346 Ca 0.01 0.06 0.00 0.00 -0.01 0.00 0.00 56.01 56.06 1bwm n LEU 346 Cb 0.54 -0.16 0.00 0.00 -0.11 0.00 0.00 43.42 43.69 1bwm n LEU 346 CO 0.48 -0.58 0.00 2.30 -1.51 0.00 0.00 177.39 178.08 1bwm n ILE 347 N -2.89 0.00 -3.64 -0.08 -0.00 -1.26 -3.92 119.36 107.58 1bwm n ILE 347 Ca -0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 62.75 62.69 1bwm n ILE 347 Cb 0.02 0.00 -0.02 0.00 -0.00 0.00 0.00 39.64 39.64 1bwm n ILE 347 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1bwm s ALA 348 N -1.60 -1.76 0.00 -1.28 0.00 -1.26 -2.47 121.76 113.39 1bwm s ALA 348 Ca 0.00 0.56 0.00 0.00 0.00 0.00 0.00 51.96 52.52 1bwm s ALA 348 Cb 0.00 0.52 0.00 0.00 0.00 0.00 0.00 23.12 23.64 1bwm s ALA 348 CO 0.00 -0.88 0.00 0.44 0.00 0.00 0.00 175.76 175.32 1bwm n ILE 349 N -0.37 0.00 -1.45 0.00 -0.00 -1.26 -4.97 119.36 111.31 1bwm n ILE 349 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.68 1bwm n ILE 349 Cb 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.25 1bwm n ILE 349 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.55 176.31 1bwm n SER 350 N 0.00 0.00 -3.31 7.28 2.88 -1.26 -4.10 113.62 115.11 1bwm n SER 350 Ca 0.00 -0.78 -0.16 0.00 -1.33 0.00 0.00 58.87 56.61 1bwm n SER 350 Cb 0.00 0.00 0.08 0.00 -0.75 0.00 0.00 64.21 63.54 1bwm n SER 350 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1bwm n LEU 351 N 0.00 -4.63 -0.24 2.46 4.77 -1.26 -4.86 117.00 113.23 1bwm n LEU 351 Ca 0.00 -0.64 0.04 0.00 -0.03 0.00 0.00 56.01 55.38 1bwm n LEU 351 Cb 0.19 -3.11 0.06 0.00 -2.33 0.00 0.00 43.42 38.24 1bwm n LEU 351 CO 0.00 0.26 0.40 0.55 -1.33 0.00 0.00 177.39 177.27 1bwm n VAL 352 N -3.71 0.87 -3.73 4.08 3.14 -1.26 -5.06 118.33 112.67 1bwm n VAL 352 Ca -0.20 -1.03 -0.13 0.00 -2.96 0.00 0.00 64.34 60.01 1bwm n VAL 352 Cb 0.65 0.22 -0.08 0.00 -1.06 0.00 0.00 33.84 33.57 1bwm n VAL 352 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 1bwm s SER 353 N -1.72 -0.23 0.59 6.55 0.01 -1.26 -5.02 113.70 112.61 1bwm s SER 353 Ca 0.14 0.09 0.37 0.00 1.31 0.00 0.00 55.95 57.85 1bwm s SER 353 Cb 0.12 0.35 1.81 0.00 0.21 0.00 0.00 66.02 68.51 1bwm s SER 353 CO 0.01 -0.51 2.16 0.78 0.41 0.00 0.00 173.24 176.09 1bwm h ASN 354 N 3.58 0.00 -4.98 2.44 4.21 -1.94 -3.35 115.58 115.54 1bwm h ASN 354 Ca -0.30 0.00 -0.05 0.00 1.21 0.00 0.00 56.30 57.16 1bwm h ASN 354 Cb 1.18 0.00 -0.17 0.00 -1.12 0.00 0.00 38.32 38.21 1bwm h ASN 354 CO 0.41 0.03 0.20 -1.59 -1.29 0.00 0.00 177.43 175.19 1bwm s LYS 355 N -3.97 1.10 -0.27 0.81 -2.85 -1.26 -1.67 119.74 111.62 1bwm s LYS 355 Ca -0.02 0.08 -0.23 0.00 -1.00 0.00 0.00 55.97 54.80 1bwm s LYS 355 Cb 0.11 0.52 0.07 0.00 -2.06 0.00 0.00 37.83 36.47 1bwm s LYS 355 CO 0.50 -0.38 0.71 0.21 0.10 0.00 0.00 175.35 176.49 1bwm s LYS 356 N -1.81 0.81 -0.08 1.78 2.20 0.48 -4.96 119.74 118.16 1bwm s LYS 356 Ca -0.08 1.05 0.01 0.00 -0.36 0.00 0.00 55.97 56.59 1bwm s LYS 356 Cb -0.00 0.35 -0.03 0.00 -1.51 0.00 0.00 37.83 36.64 1bwm s LYS 356 CO 0.04 -0.11 -0.09 -2.00 -0.36 0.00 0.00 175.35 172.83 1bwm s GLU 357 N 0.67 2.84 -0.54 4.03 2.12 -1.26 0.84 118.70 127.41 1bwm s GLU 357 Ca -0.02 -0.59 0.07 0.00 0.36 0.00 0.00 54.97 54.78 1bwm s GLU 357 Cb -0.05 -2.58 0.29 0.00 0.26 0.00 0.00 34.13 32.05 1bwm s GLU 357 CO -0.04 0.57 0.76 -0.25 -0.54 0.00 0.00 175.26 175.76 1bwm n ASP 358 N 2.50 2.90 0.00 -1.70 8.00 -1.10 -4.89 116.55 122.26 1bwm n ASP 358 Ca -0.18 -3.31 0.00 0.00 0.71 0.00 0.00 54.79 52.01 1bwm n ASP 358 Cb 0.53 -0.63 0.00 0.00 -0.02 0.00 0.00 41.12 41.00 1bwm n ASP 358 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1bwm n GLY 359 N 0.56 3.01 2.04 0.44 0.00 -1.26 -4.74 105.19 105.25 1bwm n GLY 359 Ca 0.28 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.47 1bwm n GLY 359 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bwm n ARG 361 N 0.00 0.00 -1.24 1.61 5.12 -1.26 -5.12 116.66 115.77 1bwm n ARG 361 Ca 0.00 0.00 -0.34 0.00 -1.93 0.00 0.00 57.85 55.58 1bwm n ARG 361 Cb 0.00 0.00 0.11 0.00 -1.16 0.00 0.00 32.46 31.41 1bwm n ARG 361 CO 0.00 0.00 0.00 -0.59 -1.93 0.00 0.00 177.63 175.11 1bwm s PHE 362 N -1.34 1.92 -0.23 -1.55 -0.12 -1.26 -4.91 117.98 110.48 1bwm s PHE 362 Ca 0.00 1.64 0.01 0.00 -0.05 0.00 0.00 56.93 58.53 1bwm s PHE 362 Cb 0.00 -3.47 0.06 0.00 -0.63 0.00 0.00 43.02 38.98 1bwm s PHE 362 CO 0.00 -2.73 -0.07 -0.08 -0.05 0.00 0.00 175.22 172.29 1bwm s THR 363 N -2.11 1.66 0.52 -4.49 -1.32 -0.40 -2.71 115.64 106.79 1bwm s THR 363 Ca 0.73 -1.27 -0.20 0.00 -1.21 0.00 0.00 61.69 59.75 1bwm s THR 363 Cb -0.28 -1.87 -0.07 0.00 -1.51 0.00 0.00 72.50 68.76 1bwm s THR 363 CO 0.49 -0.05 1.09 -0.63 -2.21 0.00 0.00 174.62 173.31 1bwm s ILE 364 N 1.34 3.41 0.26 5.08 1.09 0.25 -2.66 121.20 129.97 1bwm s ILE 364 Ca -0.06 0.88 0.08 0.00 -1.10 0.00 0.00 60.65 60.45 1bwm s ILE 364 Cb -0.19 -3.36 -0.05 0.00 -1.06 0.00 0.00 42.46 37.80 1bwm s ILE 364 CO -0.06 -0.19 -0.11 -0.36 -0.10 0.00 0.00 174.94 174.12 1bwm s PHE 365 N -1.85 1.94 -0.26 3.97 0.40 0.30 -0.39 117.98 122.09 1bwm s PHE 365 Ca 0.70 -0.60 -0.04 0.00 -0.60 0.00 0.00 56.93 56.40 1bwm s PHE 365 Cb -0.21 -1.00 0.01 0.00 0.51 0.00 0.00 43.02 42.33 1bwm s PHE 365 CO 0.24 0.38 -0.01 0.12 0.70 0.00 0.00 175.22 176.65 1bwm s PHE 366 N -2.91 3.07 -0.47 0.36 5.36 -0.67 -2.64 117.98 120.07 1bwm s PHE 366 Ca 0.27 -1.24 -0.16 0.00 -0.96 0.00 0.00 56.93 54.85 1bwm s PHE 366 Cb 0.01 -2.13 0.07 0.00 -0.34 0.00 0.00 43.02 40.63 1bwm s PHE 366 CO 0.11 -0.64 0.39 1.21 -1.46 0.00 0.00 175.22 174.83 1bwm s ASN 367 N 1.41 6.15 -0.12 6.13 3.84 -0.90 -4.89 114.94 126.56 1bwm s ASN 367 Ca 0.02 -1.29 -0.28 0.00 0.21 0.00 0.00 52.86 51.52 1bwm s ASN 367 Cb -0.16 -2.18 -0.25 0.00 -0.55 0.00 0.00 41.25 38.10 1bwm s ASN 367 CO -0.02 -0.64 0.85 0.11 -2.79 0.00 0.00 177.10 174.62 1bwm h LYS 368 N 8.75 0.00 -0.16 0.43 1.57 -1.96 0.93 116.57 126.13 1bwm h LYS 368 Ca -0.28 -0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.54 1bwm h LYS 368 Cb 1.11 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.42 1bwm h LYS 368 CO 0.87 0.92 0.20 0.07 -0.57 0.00 0.00 179.45 180.94 1bwm h ARG 369 N -0.91 0.00 0.00 3.15 0.11 -1.99 -1.95 114.38 112.79 1bwm h ARG 369 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1bwm h ARG 369 Cb 0.92 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.00 1bwm h ARG 369 CO 0.00 0.00 -0.91 -1.91 0.10 0.00 0.00 179.97 177.25 1bwm n GLU 370 N -3.69 2.20 -3.65 0.08 4.07 -1.23 -5.01 120.64 113.41 1bwm n GLU 370 Ca 0.01 -0.04 -0.25 0.00 -0.06 0.00 0.00 57.16 56.82 1bwm n GLU 370 Cb 0.32 -1.06 0.07 0.00 -0.06 0.00 0.00 31.44 30.70 1bwm n GLU 370 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 1bwm n LYS 371 N -1.51 -7.35 -4.24 5.31 4.81 0.32 -4.99 118.16 110.51 1bwm n LYS 371 Ca 0.00 0.78 -0.14 0.00 -0.87 0.00 0.00 58.31 58.09 1bwm n LYS 371 Cb 0.19 -5.79 -0.10 0.00 0.02 0.00 0.00 35.03 29.34 1bwm n LYS 371 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1bwm s LYS 372 N -6.30 1.04 -0.26 1.64 1.02 -0.95 -4.68 119.74 111.25 1bwm s LYS 372 Ca 0.54 -1.45 -0.11 0.00 0.02 0.00 0.00 55.97 54.98 1bwm s LYS 372 Cb -0.25 -0.53 -0.05 0.00 -0.52 0.00 0.00 37.83 36.49 1bwm s LYS 372 CO 0.75 0.04 0.17 -0.51 -0.92 0.00 0.00 175.35 174.88 1bwm s LEU 373 N -3.15 4.02 -0.24 3.17 1.02 -0.53 -2.12 118.68 120.85 1bwm s LEU 373 Ca 0.17 0.03 -0.02 0.00 0.02 0.00 0.00 54.13 54.32 1bwm s LEU 373 Cb 0.03 -2.10 0.02 0.00 0.02 0.00 0.00 46.19 44.16 1bwm s LEU 373 CO 0.00 -0.00 -0.06 -0.94 0.02 0.00 0.00 176.35 175.37 1bwm s SER 374 N 1.46 4.27 0.07 2.29 1.04 -1.08 -1.96 113.70 119.78 1bwm s SER 374 Ca 0.07 -0.76 0.03 0.00 0.48 0.00 0.00 55.95 55.78 1bwm s SER 374 Cb -0.15 -1.68 -0.04 0.00 0.10 0.00 0.00 66.02 64.26 1bwm s SER 374 CO 0.08 -0.10 0.04 -0.22 0.98 0.00 0.00 173.24 174.02 1bwm s LEU 375 N 1.36 3.64 0.07 2.42 0.20 -1.07 0.11 118.68 125.41 1bwm s LEU 375 Ca 0.02 -0.07 0.06 0.00 0.69 0.00 0.00 54.13 54.83 1bwm s LEU 375 Cb -0.16 -2.31 -0.03 0.00 -0.43 0.00 0.00 46.19 43.26 1bwm s LEU 375 CO -0.05 0.19 -0.17 -1.00 -0.29 0.00 0.00 176.35 175.04 1bwm s HIS 376 N -1.32 1.44 -0.19 5.38 3.76 -1.09 -2.34 115.29 120.93 1bwm s HIS 376 Ca 0.27 -0.42 -0.04 0.00 -0.15 0.00 0.00 55.06 54.71 1bwm s HIS 376 Cb -0.12 -0.81 0.10 0.00 1.11 0.00 0.00 32.58 32.86 1bwm s HIS 376 CO 0.19 0.10 0.32 -1.50 -0.85 0.00 0.00 174.74 173.00 1bwm s ILE 377 N -1.14 -0.50 0.36 0.60 1.10 -1.06 -1.27 121.20 119.28 1bwm s ILE 377 Ca 0.02 0.07 0.08 0.00 -0.51 0.00 0.00 60.65 60.31 1bwm s ILE 377 Cb -0.10 -0.65 -0.04 0.00 0.15 0.00 0.00 42.46 41.83 1bwm s ILE 377 CO 0.03 -0.03 0.18 0.28 -2.11 0.00 0.00 174.94 173.28 1bwm s THR 378 N 2.48 2.94 -1.31 4.00 -1.32 -1.26 -1.43 115.64 119.74 1bwm s THR 378 Ca 0.06 -1.64 -0.02 0.00 -1.21 0.00 0.00 61.69 58.88 1bwm s THR 378 Cb -0.14 -3.00 0.01 0.00 -1.51 0.00 0.00 72.50 67.86 1bwm s THR 378 CO -0.12 -0.14 0.82 -0.67 -2.21 0.00 0.00 174.62 172.29 1bwm n ASP 379 N -1.21 -1.96 -4.85 8.08 -0.08 -1.23 -4.97 116.55 110.33 1bwm n ASP 379 Ca -0.02 -0.76 -0.25 0.00 -1.51 0.00 0.00 54.79 52.26 1bwm n ASP 379 Cb 0.62 -4.34 -0.04 0.00 2.34 0.00 0.00 41.12 39.69 1bwm n ASP 379 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 1bwm s SER 380 N -4.21 5.75 0.48 1.67 1.04 -1.25 -5.04 113.70 112.14 1bwm s SER 380 Ca 0.09 -0.08 0.01 0.00 0.48 0.00 0.00 55.95 56.46 1bwm s SER 380 Cb -0.05 -1.56 0.01 0.00 0.10 0.00 0.00 66.02 64.52 1bwm s SER 380 CO 0.79 0.03 0.69 -1.10 0.98 0.00 0.00 173.24 174.63 1bwm s GLN 381 N -3.38 2.87 0.77 4.02 -1.52 -1.26 -3.03 119.66 118.13 1bwm s GLN 381 Ca 0.32 -0.66 -0.14 0.00 -1.95 0.00 0.00 55.36 52.94 1bwm s GLN 381 Cb -0.10 -2.56 0.06 0.00 -0.22 0.00 0.00 33.01 30.20 1bwm s GLN 381 CO 0.25 -0.41 1.22 -2.14 -0.25 0.00 0.00 175.29 173.97 1bwm s PRO 382 N -4.60 1.86 -0.00 2.91 0.01 -1.26 -4.83 135.00 129.09 1bwm s PRO 382 Ca 0.52 1.81 0.01 0.00 0.01 0.00 0.00 61.00 63.34 1bwm s PRO 382 Cb -0.10 -1.80 0.01 0.00 0.01 0.00 0.00 34.50 32.62 1bwm s PRO 382 CO 0.37 -2.06 0.80 0.41 0.01 0.00 0.00 177.00 176.54 1bwm n GLY 383 N 0.54 -0.72 3.32 0.52 0.00 -1.26 -4.99 105.19 102.59 1bwm n GLY 383 Ca 0.14 -0.04 -0.23 0.00 0.00 0.00 0.00 46.02 45.89 1bwm n GLY 383 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1bwm n ASP 384 N -0.06 -3.95 -0.85 1.61 2.03 -1.26 -4.47 116.55 109.60 1bwm n ASP 384 Ca 0.01 -0.37 0.04 0.00 0.52 0.00 0.00 54.79 54.99 1bwm n ASP 384 Cb 0.61 -3.26 -0.02 0.00 -0.72 0.00 0.00 41.12 37.72 1bwm n ASP 384 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1bwm n SER 385 N -2.31 -4.58 -3.56 1.67 2.88 -1.26 -4.86 113.62 101.60 1bwm n SER 385 Ca -0.03 0.95 -0.08 0.00 -1.33 0.00 0.00 58.87 58.39 1bwm n SER 385 Cb 0.55 -2.58 -0.03 0.00 -0.75 0.00 0.00 64.21 61.40 1bwm n SER 385 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1bwm s ALA 386 N -4.32 -1.94 -0.36 -1.46 0.00 0.40 -4.72 121.76 109.35 1bwm s ALA 386 Ca 0.00 1.40 -0.05 0.00 0.00 0.00 0.00 51.96 53.31 1bwm s ALA 386 Cb 0.00 -0.20 0.07 0.00 0.00 0.00 0.00 23.12 22.99 1bwm s ALA 386 CO 0.00 -0.52 0.14 0.95 0.00 0.00 0.00 175.76 176.33 1bwm s THR 387 N -2.18 3.56 0.47 0.00 -4.23 0.18 -0.58 115.64 112.85 1bwm s THR 387 Ca 0.04 -1.49 -0.10 0.00 -1.18 0.00 0.00 61.69 58.96 1bwm s THR 387 Cb -0.01 -3.17 -0.06 0.00 1.34 0.00 0.00 72.50 70.61 1bwm s THR 387 CO -0.05 -0.37 0.84 -0.31 -0.54 0.00 0.00 174.62 174.20 1bwm s TYR 388 N 1.30 3.51 0.18 3.99 2.02 -0.69 0.30 117.35 127.96 1bwm s TYR 388 Ca 0.01 1.08 0.09 0.00 -0.37 0.00 0.00 57.07 57.88 1bwm s TYR 388 Cb -0.21 -2.49 -0.04 0.00 -0.40 0.00 0.00 41.96 38.81 1bwm s TYR 388 CO -0.00 -0.26 -0.18 -0.06 -1.57 0.00 0.00 175.55 173.48 1bwm s PHE 389 N -2.61 1.84 -0.03 2.71 0.40 -1.07 -2.35 117.98 116.88 1bwm s PHE 389 Ca 0.52 -0.47 0.02 0.00 -0.60 0.00 0.00 56.93 56.40 1bwm s PHE 389 Cb -0.10 -0.90 0.00 0.00 0.51 0.00 0.00 43.02 42.53 1bwm s PHE 389 CO 0.38 0.36 -0.09 0.00 0.70 0.00 0.00 175.22 176.57 1bwm s ALA 391 N 0.24 0.02 0.25 0.00 0.00 -1.26 -2.66 121.76 118.34 1bwm s ALA 391 Ca -0.04 -1.16 0.05 0.00 0.00 0.00 0.00 51.96 50.81 1bwm s ALA 391 Cb -0.09 0.88 -0.05 0.00 0.00 0.00 0.00 23.12 23.85 1bwm s ALA 391 CO 0.01 -0.90 -0.03 0.00 0.00 0.00 0.00 175.76 174.83 1bwm s ALA 392 N -2.45 2.06 -0.30 0.00 0.00 -0.80 -3.95 121.76 116.31 1bwm s ALA 392 Ca 0.23 -1.82 0.18 0.00 0.00 0.00 0.00 51.96 50.54 1bwm s ALA 392 Cb -0.03 0.32 0.46 0.00 0.00 0.00 0.00 23.12 23.87 1bwm s ALA 392 CO 0.17 -0.16 1.29 -2.37 0.00 0.00 0.00 175.76 174.69 1bwm n THR 393 N -0.49 0.66 0.13 0.00 5.66 -0.45 -2.72 114.28 117.06 1bwm n THR 393 Ca -0.05 -2.06 0.17 0.00 -3.05 0.00 0.00 64.05 59.06 1bwm n THR 393 Cb 0.63 1.12 0.74 0.00 -1.55 0.00 0.00 70.33 71.28 1bwm n THR 393 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 175.07 173.25 1bwm h GLY 399 N 1.94 0.00 -1.49 1.09 0.00 -1.76 -3.41 103.07 99.45 1bwm h GLY 399 Ca -0.27 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.53 1bwm h GLY 399 CO 0.03 0.00 -0.18 -0.56 0.00 0.00 0.00 176.54 175.83 1bwm s SER 400 N -6.12 4.90 0.18 0.19 0.01 -1.26 -4.71 113.70 106.88 1bwm s SER 400 Ca -0.05 -1.02 -0.12 0.00 1.31 0.00 0.00 55.95 56.07 1bwm s SER 400 Cb 0.17 0.35 -0.07 0.00 0.21 0.00 0.00 66.02 66.68 1bwm s SER 400 CO 0.64 -1.24 0.54 0.72 0.41 0.00 0.00 173.24 174.30 1bwm s PHE 401 N -2.71 3.53 -1.46 2.43 -0.12 -1.26 -4.22 117.98 114.16 1bwm s PHE 401 Ca 0.50 0.96 -0.06 0.00 -0.05 0.00 0.00 56.93 58.29 1bwm s PHE 401 Cb -0.04 -2.31 0.04 0.00 -0.63 0.00 0.00 43.02 40.08 1bwm s PHE 401 CO 0.31 0.37 0.64 0.09 -0.05 0.00 0.00 175.22 176.58 1bwm n ASN 402 N 0.41 -1.81 -3.63 1.98 4.13 -1.26 -4.90 115.26 110.18 1bwm n ASN 402 Ca -0.03 -0.93 -0.13 0.00 1.68 0.00 0.00 54.58 55.17 1bwm n ASN 402 Cb 0.52 -3.34 -0.13 0.00 -1.54 0.00 0.00 39.78 35.29 1bwm n ASN 402 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 1bwm s LYS 403 N -6.52 0.17 -0.36 3.52 2.20 -1.23 -2.42 119.74 115.09 1bwm s LYS 403 Ca 0.25 0.72 0.02 0.00 -0.36 0.00 0.00 55.97 56.60 1bwm s LYS 403 Cb -0.13 -0.12 0.11 0.00 -1.51 0.00 0.00 37.83 36.18 1bwm s LYS 403 CO 0.87 -0.33 0.13 -1.17 -0.36 0.00 0.00 175.35 174.49 1bwm s LEU 404 N 2.43 3.17 -0.41 5.43 2.96 -0.45 -4.22 118.68 127.59 1bwm s LEU 404 Ca 0.02 -2.11 -0.22 0.00 -0.22 0.00 0.00 54.13 51.60 1bwm s LEU 404 Cb -0.12 -1.16 0.02 0.00 0.50 0.00 0.00 46.19 45.42 1bwm s LEU 404 CO -0.09 -0.36 0.70 -0.89 -1.32 0.00 0.00 176.35 174.39 1bwm s THR 405 N 0.99 4.77 0.29 3.68 2.01 -1.10 -4.21 115.64 122.07 1bwm s THR 405 Ca 0.12 0.43 0.07 0.00 0.31 0.00 0.00 61.69 62.62 1bwm s THR 405 Cb -0.20 -4.21 -0.03 0.00 0.01 0.00 0.00 72.50 68.07 1bwm s THR 405 CO -0.13 -0.55 0.27 0.72 -0.69 0.00 0.00 174.62 174.25 1bwm s PHE 406 N 2.98 3.05 -0.33 4.92 -0.12 -1.26 -1.91 117.98 125.31 1bwm s PHE 406 Ca 0.26 -0.19 0.16 0.00 -0.05 0.00 0.00 56.93 57.12 1bwm s PHE 406 Cb -0.13 -1.63 0.46 0.00 -0.63 0.00 0.00 43.02 41.09 1bwm s PHE 406 CO 0.19 0.33 1.01 0.41 -0.05 0.00 0.00 175.22 177.11 1bwm n GLY 407 N -1.32 2.46 2.82 1.99 0.00 -1.09 -4.59 105.19 105.46 1bwm n GLY 407 Ca -0.05 -1.54 -0.02 0.00 0.00 0.00 0.00 46.02 44.41 1bwm n GLY 407 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bwm n ALA 408 N -0.24 -2.94 -1.00 4.61 0.00 -1.26 -4.10 120.51 115.58 1bwm n ALA 408 Ca 0.15 1.00 0.00 0.00 0.00 0.00 0.00 53.44 54.59 1bwm n ALA 408 Cb 0.80 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 18.12 1bwm n ALA 408 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bwm n GLY 409 N 1.43 -2.69 3.27 0.00 0.00 -1.19 -4.04 105.19 101.97 1bwm n GLY 409 Ca -0.14 -0.94 -0.15 0.00 0.00 0.00 0.00 46.02 44.79 1bwm n GLY 409 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bwm s THR 410 N 0.00 0.73 -0.56 2.61 2.01 -0.99 -4.71 115.64 114.73 1bwm s THR 410 Ca 0.00 -1.99 -0.08 0.00 0.31 0.00 0.00 61.69 59.93 1bwm s THR 410 Cb 0.00 -2.23 0.15 0.00 0.01 0.00 0.00 72.50 70.43 1bwm s THR 410 CO 0.00 -0.39 0.43 -0.13 -0.69 0.00 0.00 174.62 173.84 1bwm s ARG 411 N -3.92 2.64 0.23 4.92 0.52 -1.26 -1.71 118.95 120.37 1bwm s ARG 411 Ca 0.27 -2.07 -0.30 0.00 -0.52 0.00 0.00 55.73 53.11 1bwm s ARG 411 Cb 0.06 -3.94 -0.09 0.00 0.52 0.00 0.00 34.95 31.51 1bwm s ARG 411 CO 0.06 -1.20 1.08 -0.51 0.02 0.00 0.00 175.30 174.75 1bwm s LEU 412 N 0.80 4.54 -0.06 2.53 2.01 0.25 -3.70 118.68 125.06 1bwm s LEU 412 Ca 0.11 2.16 0.06 0.00 0.01 0.00 0.00 54.13 56.46 1bwm s LEU 412 Cb -0.22 -3.62 -0.01 0.00 0.01 0.00 0.00 46.19 42.36 1bwm s LEU 412 CO -0.03 -0.14 -0.23 0.00 1.01 0.00 0.00 176.35 176.96 1bwm s ALA 413 N -0.79 2.02 -0.25 4.21 0.00 -0.92 -0.45 121.76 125.58 1bwm s ALA 413 Ca 0.46 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 51.46 1bwm s ALA 413 Cb -0.30 -0.64 0.07 0.00 0.00 0.00 0.00 23.12 22.25 1bwm s ALA 413 CO 0.37 0.38 -0.01 0.08 0.00 0.00 0.00 175.76 176.59 1bwm s VAL 414 N -0.09 1.37 0.46 0.00 1.01 -1.26 -1.50 120.40 120.39 1bwm s VAL 414 Ca -0.05 -1.28 -0.22 0.00 0.00 0.00 0.00 61.98 60.44 1bwm s VAL 414 Cb -0.14 -1.77 -0.08 0.00 0.00 0.00 0.00 36.38 34.39 1bwm s VAL 414 CO 0.04 -0.27 1.05 -0.55 0.00 0.00 0.00 175.10 175.37 1bwm s SER 415 N 1.44 6.44 0.00 3.32 0.15 -1.23 -4.29 113.70 119.52 1bwm s SER 415 Ca -0.01 2.00 0.00 0.00 0.70 0.00 0.00 55.95 58.64 1bwm s SER 415 Cb -0.18 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.55 1bwm s SER 415 CO -0.10 -0.72 0.00 -0.81 1.20 0.00 0.00 173.24 172.82 1bwm n PRO 416 N -0.67 1.35 0.00 5.44 -0.05 -1.26 -3.61 135.00 136.21 1bwm n PRO 416 Ca 0.08 0.00 0.13 0.00 -0.05 0.00 0.00 63.50 63.66 1bwm n PRO 416 Cb 0.51 0.00 0.29 0.00 -0.05 0.00 0.00 33.50 34.25 1bwm n PRO 416 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 175.50 176.43