#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 -0.03 -4.08 0.00 3.14 -0.68 -2.60 118.33 114.08 1bwm n VAL 4 Ca 0.00 -0.38 -0.14 0.00 -2.96 0.00 0.00 64.34 60.86 1bwm n VAL 4 Cb 0.00 -1.62 -0.05 0.00 -1.06 0.00 0.00 33.84 31.12 1bwm n VAL 4 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 1bwm s THR 5 N 10.41 0.00 -0.05 1.55 -4.23 -0.96 -4.67 115.64 117.69 1bwm s THR 5 Ca 1.17 -1.58 -0.28 0.00 -1.18 0.00 0.00 61.69 59.82 1bwm s THR 5 Cb -0.74 -2.57 0.06 0.00 1.34 0.00 0.00 72.50 70.59 1bwm s THR 5 CO 0.39 0.00 0.62 -1.58 -0.54 0.00 0.00 174.62 173.50 1bwm s GLN 6 N -3.25 0.98 -0.64 3.99 -0.44 -1.23 -2.78 119.66 116.29 1bwm s GLN 6 Ca 0.30 0.21 -0.35 0.00 -2.50 0.00 0.00 55.36 53.02 1bwm s GLN 6 Cb -0.00 0.46 -0.16 0.00 -1.64 0.00 0.00 33.01 31.67 1bwm s GLN 6 CO 0.18 -0.30 2.39 0.45 0.50 0.00 0.00 175.29 178.51 1bwm n SER 7 N 1.04 1.15 -3.75 6.67 2.88 -0.50 -4.84 113.62 116.28 1bwm n SER 7 Ca -0.19 0.27 0.00 0.00 -1.33 0.00 0.00 58.87 57.61 1bwm n SER 7 Cb 0.57 -1.10 0.00 0.00 -0.75 0.00 0.00 64.21 62.93 1bwm n SER 7 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1bwm n PRO 8 N 8.25 1.48 -1.48 -1.46 -0.05 -1.26 -4.54 135.00 135.94 1bwm n PRO 8 Ca 0.53 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.98 1bwm n PRO 8 Cb 0.14 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 33.59 1bwm n PRO 8 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 175.50 173.32 1bwm n ARG 9 N 0.00 -3.95 -4.17 0.54 0.63 -1.26 -4.92 116.66 103.52 1bwm n ARG 9 Ca 0.00 3.04 -0.32 0.00 -0.92 0.00 0.00 57.85 59.65 1bwm n ARG 9 Cb 0.00 -3.74 -0.16 0.00 0.45 0.00 0.00 32.46 29.01 1bwm n ARG 9 CO 0.00 0.00 0.00 -0.80 -2.51 0.00 0.00 177.63 174.32 1bwm s ASN 10 N -4.92 3.03 0.05 6.15 -0.87 -1.26 -4.84 114.94 112.28 1bwm s ASN 10 Ca 0.00 -0.61 0.00 0.00 -1.57 0.00 0.00 52.86 50.69 1bwm s ASN 10 Cb 0.00 -1.41 -0.03 0.00 -0.02 0.00 0.00 41.25 39.79 1bwm s ASN 10 CO 0.00 -0.00 -0.05 -0.75 -2.57 0.00 0.00 177.10 173.73 1bwm s LYS 11 N 1.26 0.55 0.34 -0.60 2.20 -1.26 -5.11 119.74 117.12 1bwm s LYS 11 Ca 0.03 -0.97 0.07 0.00 -0.36 0.00 0.00 55.97 54.75 1bwm s LYS 11 Cb -0.13 -0.00 -0.02 0.00 -1.51 0.00 0.00 37.83 36.16 1bwm s LYS 11 CO -0.11 -0.04 0.33 0.08 -0.36 0.00 0.00 175.35 175.25 1bwm s VAL 12 N -2.61 3.65 0.29 4.02 1.01 -1.26 -4.41 120.40 121.09 1bwm s VAL 12 Ca -0.02 -1.29 0.04 0.00 0.00 0.00 0.00 61.98 60.70 1bwm s VAL 12 Cb -0.02 -3.23 -0.06 0.00 0.00 0.00 0.00 36.38 33.07 1bwm s VAL 12 CO -0.04 -0.17 0.04 0.00 0.00 0.00 0.00 175.10 174.93 1bwm s ALA 13 N -2.28 2.16 0.21 5.51 0.00 -1.02 -4.94 121.76 121.40 1bwm s ALA 13 Ca 0.42 -1.97 0.01 0.00 0.00 0.00 0.00 51.96 50.42 1bwm s ALA 13 Cb -0.07 0.65 0.01 0.00 0.00 0.00 0.00 23.12 23.72 1bwm s ALA 13 CO 0.27 -0.30 0.07 1.33 0.00 0.00 0.00 175.76 177.13 1bwm n VAL 14 N -0.60 0.00 -1.48 0.00 0.24 -1.26 -2.13 118.33 113.10 1bwm n VAL 14 Ca -0.03 -0.93 -0.57 0.00 -2.04 0.00 0.00 64.34 60.78 1bwm n VAL 14 Cb 0.66 -0.02 -0.09 0.00 -1.47 0.00 0.00 33.84 32.92 1bwm n VAL 14 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 1bwm n THR 15 N -0.72 0.15 -3.30 3.34 -1.04 -1.26 0.86 114.28 112.30 1bwm n THR 15 Ca -0.05 -0.11 -0.17 0.00 -2.04 0.00 0.00 64.05 61.68 1bwm n THR 15 Cb 0.26 -1.10 0.07 0.00 -1.82 0.00 0.00 70.33 67.74 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 6.00 -0.25 0.00 3.41 0.00 -0.87 -4.87 105.19 108.61 1bwm n GLY 16 Ca 0.41 0.05 0.14 0.00 0.00 0.00 0.00 46.02 46.61 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 -1.48 -1.10 1.32 -0.02 0.00 0.25 -4.84 105.19 99.33 1bwm n GLY 17 Ca -0.09 -0.14 0.13 0.00 0.00 0.00 0.00 46.02 45.91 1bwm n GLY 17 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1bwm n LYS 18 N -1.20 -3.14 -3.76 1.61 0.00 -1.26 -4.81 118.16 105.59 1bwm n LYS 18 Ca 0.15 2.55 -0.15 0.00 0.00 0.00 0.00 58.31 60.87 1bwm n LYS 18 Cb 0.18 -3.55 -0.15 0.00 0.00 0.00 0.00 35.03 31.51 1bwm n LYS 18 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1bwm s VAL 19 N -4.38 -0.06 -0.22 3.15 1.01 -1.08 -4.85 120.40 113.96 1bwm s VAL 19 Ca 0.00 0.21 -0.01 0.00 0.00 0.00 0.00 61.98 62.19 1bwm s VAL 19 Cb 0.00 -0.14 0.02 0.00 0.00 0.00 0.00 36.38 36.26 1bwm s VAL 19 CO 0.00 0.09 -0.11 -0.89 0.00 0.00 0.00 175.10 174.19 1bwm s THR 20 N 1.16 2.64 -0.04 3.92 2.01 -1.26 -2.05 115.64 122.02 1bwm s THR 20 Ca -0.09 -0.97 0.03 0.00 0.31 0.00 0.00 61.69 60.97 1bwm s THR 20 Cb -0.12 -2.27 0.00 0.00 0.01 0.00 0.00 72.50 70.12 1bwm s THR 20 CO -0.04 0.32 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.34 1bwm s LEU 21 N 1.32 1.76 -0.20 4.42 1.43 -0.66 -4.89 118.68 121.86 1bwm s LEU 21 Ca 0.02 -0.24 0.01 0.00 -1.03 0.00 0.00 54.13 52.89 1bwm s LEU 21 Cb -0.15 -0.69 0.03 0.00 0.03 0.00 0.00 46.19 45.41 1bwm s LEU 21 CO -0.07 0.07 -0.17 -0.94 0.23 0.00 0.00 176.35 175.47 1bwm s SER 22 N 0.29 3.39 0.20 2.29 1.04 -1.26 -2.61 113.70 117.04 1bwm s SER 22 Ca -0.06 -0.81 0.11 0.00 0.48 0.00 0.00 55.95 55.67 1bwm s SER 22 Cb -0.11 -1.47 -0.04 0.00 0.10 0.00 0.00 66.02 64.50 1bwm s SER 22 CO 0.01 -0.05 -0.18 0.00 0.98 0.00 0.00 173.24 174.00 1bwm s ASN 24 N -2.85 0.68 -0.22 0.00 3.84 -1.12 -2.62 114.94 112.67 1bwm s ASN 24 Ca 0.23 -1.47 -0.19 0.00 0.21 0.00 0.00 52.86 51.65 1bwm s ASN 24 Cb -0.08 0.38 0.06 0.00 -0.55 0.00 0.00 41.25 41.06 1bwm s ASN 24 CO 0.12 -0.87 0.57 -1.58 -2.79 0.00 0.00 177.10 172.56 1bwm s GLN 25 N -3.99 0.65 -0.33 0.43 -0.44 -0.07 -1.69 119.66 114.22 1bwm s GLN 25 Ca 0.39 0.83 0.03 0.00 -2.50 0.00 0.00 55.36 54.11 1bwm s GLN 25 Cb 0.06 0.29 0.14 0.00 -1.64 0.00 0.00 33.01 31.86 1bwm s GLN 25 CO 0.15 -0.09 1.15 -2.37 0.50 0.00 0.00 175.29 174.63 1bwm n THR 26 N 3.01 0.00 -1.49 -0.34 5.66 -1.26 -4.31 114.28 115.55 1bwm n THR 26 Ca -0.15 -0.74 0.05 0.00 -3.05 0.00 0.00 64.05 60.16 1bwm n THR 26 Cb 0.56 0.73 0.20 0.00 -1.55 0.00 0.00 70.33 70.27 1bwm n THR 26 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1bwm n ASN 27 N -0.31 2.00 -2.45 1.09 3.02 -1.26 -4.87 115.26 112.48 1bwm n ASN 27 Ca -0.21 -3.75 -0.14 0.00 -0.03 0.00 0.00 54.58 50.45 1bwm n ASN 27 Cb 0.69 -0.54 0.05 0.00 -0.61 0.00 0.00 39.78 39.37 1bwm n ASN 27 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1bwm n ASN 28 N -1.15 -3.89 -4.44 6.41 5.15 -1.26 -5.01 115.26 111.07 1bwm n ASN 28 Ca 0.21 -0.35 -0.35 0.00 -0.60 0.00 0.00 54.58 53.49 1bwm n ASN 28 Cb 0.76 -3.34 -0.13 0.00 -0.53 0.00 0.00 39.78 36.55 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 -3.21 3.05 -2.11 1.20 3.76 -1.26 -4.81 115.29 111.91 1bwm s HIS 29 Ca 0.25 -0.47 0.16 0.00 -0.15 0.00 0.00 55.06 54.86 1bwm s HIS 29 Cb -0.11 -2.12 0.74 0.00 1.11 0.00 0.00 32.58 32.19 1bwm s HIS 29 CO 0.45 -0.28 1.51 -1.71 -0.85 0.00 0.00 174.74 173.86 1bwm n ASN 30 N 4.43 0.89 -3.70 1.40 2.85 -1.25 -4.79 115.26 115.10 1bwm n ASN 30 Ca -0.17 -1.67 -0.11 0.00 -0.11 0.00 0.00 54.58 52.51 1bwm n ASN 30 Cb 0.52 -0.07 -0.10 0.00 1.24 0.00 0.00 39.78 41.37 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 -1.43 -0.56 0.07 1.20 3.84 -1.11 -4.63 114.94 112.32 1bwm s ASN 31 Ca 0.26 0.99 0.09 0.00 0.21 0.00 0.00 52.86 54.41 1bwm s ASN 31 Cb 0.13 0.91 -0.03 0.00 -0.55 0.00 0.00 41.25 41.71 1bwm s ASN 31 CO 0.20 -0.19 -0.24 -0.32 -2.79 0.00 0.00 177.10 173.76 1bwm s MET 32 N 0.99 1.73 0.14 0.43 1.75 -0.70 -2.04 119.30 121.60 1bwm s MET 32 Ca -0.06 -1.16 0.10 0.00 -1.25 0.00 0.00 55.69 53.31 1bwm s MET 32 Cb -0.06 -2.00 -0.04 0.00 2.84 0.00 0.00 34.83 35.57 1bwm s MET 32 CO -0.08 0.50 -0.22 0.71 -0.65 0.00 0.00 175.02 175.27 1bwm s TYR 33 N -0.93 2.02 -0.02 4.11 1.51 -0.92 -2.29 117.35 120.83 1bwm s TYR 33 Ca 0.13 -0.41 0.01 0.00 -1.01 0.00 0.00 57.07 55.79 1bwm s TYR 33 Cb -0.10 -1.06 0.02 0.00 -0.11 0.00 0.00 41.96 40.70 1bwm s TYR 33 CO 0.04 0.32 -0.02 -0.46 -1.11 0.00 0.00 175.55 174.33 1bwm s TRP 34 N -1.41 0.37 0.20 2.71 -0.00 0.59 -2.58 118.94 118.81 1bwm s TRP 34 Ca 0.13 -0.04 -0.19 0.00 -0.00 0.00 0.00 56.10 55.99 1bwm s TRP 34 Cb -0.09 -0.38 0.04 0.00 -0.00 0.00 0.00 33.47 33.04 1bwm s TRP 34 CO 0.06 -0.10 0.57 1.52 -0.00 0.00 0.00 176.95 179.01 1bwm s TYR 35 N 0.66 -0.22 0.25 5.86 1.13 -1.09 -2.64 117.35 121.30 1bwm s TYR 35 Ca -0.07 -0.11 0.07 0.00 -1.41 0.00 0.00 57.07 55.55 1bwm s TYR 35 Cb -0.10 0.48 -0.05 0.00 -1.10 0.00 0.00 41.96 41.19 1bwm s TYR 35 CO -0.01 -0.96 -0.10 -0.98 -2.51 0.00 0.00 175.55 170.99 1bwm s ARG 36 N -3.85 1.48 0.34 -3.49 1.70 -1.09 -0.94 118.95 113.10 1bwm s ARG 36 Ca 0.08 -1.71 0.09 0.00 -0.47 0.00 0.00 55.73 53.72 1bwm s ARG 36 Cb -0.02 -1.19 -0.06 0.00 -0.57 0.00 0.00 34.95 33.11 1bwm s ARG 36 CO -0.03 0.12 -0.02 -1.14 -1.08 0.00 0.00 175.30 173.15 1bwm s GLN 37 N -3.68 2.01 0.00 3.89 0.74 -0.08 -1.31 119.66 121.23 1bwm s GLN 37 Ca 0.27 -1.79 0.00 0.00 0.05 0.00 0.00 55.36 53.89 1bwm s GLN 37 Cb 0.01 -1.88 0.00 0.00 1.10 0.00 0.00 33.01 32.25 1bwm s GLN 37 CO 0.10 0.14 0.00 -0.25 -0.55 0.00 0.00 175.29 174.74 1bwm n ASP 38 N -0.91 0.00 -1.40 6.67 8.00 -1.26 -2.35 116.55 125.31 1bwm n ASP 38 Ca -0.04 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.46 1bwm n ASP 38 Cb 0.62 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.72 1bwm n ASP 38 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1bwm n THR 39 N -0.78 0.00 -0.07 -3.53 -1.04 -1.26 -4.86 114.28 102.74 1bwm n THR 39 Ca 0.00 0.00 0.19 0.00 -2.04 0.00 0.00 64.05 62.20 1bwm n THR 39 Cb 0.00 -0.16 0.62 0.00 -1.82 0.00 0.00 70.33 68.97 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 0.27 0.00 3.41 0.00 -2.01 -3.34 103.07 101.40 1bwm h GLY 40 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.26 1bwm h GLY 40 CO 0.00 0.02 -0.16 1.42 0.00 0.00 0.00 176.54 177.83 1bwm n HIS 41 N -4.41 -0.17 0.00 5.60 8.25 -1.26 -5.01 115.22 118.22 1bwm n HIS 41 Ca 0.12 0.03 0.00 0.00 -0.26 0.00 0.00 57.72 57.61 1bwm n HIS 41 Cb 0.59 0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.75 1bwm n HIS 41 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1bwm n GLY 42 N 3.27 0.23 2.15 -1.41 0.00 -1.26 -4.25 105.19 103.92 1bwm n GLY 42 Ca 0.00 0.59 0.00 0.00 0.00 0.00 0.00 46.02 46.61 1bwm n GLY 42 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1bwm n LEU 43 N 0.00 -6.08 -2.88 0.99 -0.00 -1.25 -4.56 117.00 103.22 1bwm n LEU 43 Ca 0.00 2.65 -0.09 0.00 -0.00 0.00 0.00 56.01 58.58 1bwm n LEU 43 Cb 0.00 -3.01 -0.01 0.00 -0.00 0.00 0.00 43.42 40.40 1bwm n LEU 43 CO 0.00 -2.41 0.04 0.54 -0.00 0.00 0.00 177.39 175.56 1bwm n ARG 44 N 1.66 0.50 -1.33 1.96 5.12 -0.43 -4.96 116.66 119.18 1bwm n ARG 44 Ca 0.00 -2.24 -0.35 0.00 -1.93 0.00 0.00 57.85 53.32 1bwm n ARG 44 Cb 0.00 -1.50 0.09 0.00 -1.16 0.00 0.00 32.46 29.89 1bwm n ARG 44 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 1bwm n LEU 45 N 2.78 3.65 0.00 0.55 0.00 -1.26 -2.66 117.00 120.06 1bwm n LEU 45 Ca 0.20 0.66 0.00 0.00 0.00 0.00 0.00 56.01 56.86 1bwm n LEU 45 Cb 0.55 -1.42 0.00 0.00 0.00 0.00 0.00 43.42 42.55 1bwm n LEU 45 CO 0.01 -1.98 0.00 2.30 0.00 0.00 0.00 177.39 177.71 1bwm n ILE 46 N -2.60 0.00 -4.05 1.96 -0.00 -1.08 -2.61 119.36 110.97 1bwm n ILE 46 Ca 0.13 0.00 -0.13 0.00 -0.00 0.00 0.00 62.75 62.75 1bwm n ILE 46 Cb 0.50 0.00 -0.12 0.00 -0.00 0.00 0.00 39.64 40.01 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 0.50 -0.29 4.28 3.76 -1.21 0.13 115.29 121.46 1bwm s HIS 47 Ca 0.00 -0.38 -0.16 0.00 -0.15 0.00 0.00 55.06 54.37 1bwm s HIS 47 Cb 0.00 -0.31 0.18 0.00 1.11 0.00 0.00 32.58 33.56 1bwm s HIS 47 CO 0.00 -0.08 1.13 1.52 -0.85 0.00 0.00 174.74 176.46 1bwm s TYR 48 N -1.01 -0.30 0.26 1.40 1.13 -1.26 -0.30 117.35 117.26 1bwm s TYR 48 Ca -0.08 0.59 -0.20 0.00 -1.41 0.00 0.00 57.07 55.98 1bwm s TYR 48 Cb -0.07 0.18 0.07 0.00 -1.10 0.00 0.00 41.96 41.03 1bwm s TYR 48 CO -0.00 -0.15 0.94 0.45 -2.51 0.00 0.00 175.55 174.28 1bwm s SER 49 N 1.27 -0.00 0.00 -0.18 0.15 -0.97 -4.68 113.70 109.28 1bwm s SER 49 Ca -0.08 -0.83 0.00 0.00 0.70 0.00 0.00 55.95 55.74 1bwm s SER 49 Cb -0.03 0.63 0.00 0.00 -1.71 0.00 0.00 66.02 64.91 1bwm s SER 49 CO -0.12 -1.24 0.00 0.00 1.20 0.00 0.00 173.24 173.07 1bwm n TYR 50 N -0.63 0.00 -2.81 3.44 0.18 -1.26 -1.71 117.16 114.37 1bwm n TYR 50 Ca -0.05 0.00 -0.20 0.00 1.88 0.00 0.00 57.90 59.53 1bwm n TYR 50 Cb 0.60 0.00 0.09 0.00 -0.38 0.00 0.00 39.34 39.64 1bwm n TYR 50 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1bwm n GLY 51 N 0.75 1.31 3.68 -7.48 0.00 -1.26 -4.86 105.19 97.32 1bwm n GLY 51 Ca 0.00 -2.12 -0.38 0.00 0.00 0.00 0.00 46.02 43.51 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 -2.90 3.54 -0.92 4.61 0.00 -1.26 -4.19 121.76 120.65 1bwm s ALA 52 Ca 0.59 -0.45 -0.01 0.00 0.00 0.00 0.00 51.96 52.09 1bwm s ALA 52 Cb -0.04 -2.67 0.00 0.00 0.00 0.00 0.00 23.12 20.41 1bwm s ALA 52 CO 0.38 -0.28 0.77 0.41 0.00 0.00 0.00 175.76 177.05 1bwm n GLY 53 N 3.80 -0.16 2.69 0.00 0.00 0.36 -4.93 105.19 106.95 1bwm n GLY 53 Ca -0.07 -0.03 -0.07 0.00 0.00 0.00 0.00 46.02 45.84 1bwm n GLY 53 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1bwm n SER 54 N -2.42 0.60 -3.90 1.61 2.88 -1.26 -4.94 113.62 106.19 1bwm n SER 54 Ca -0.17 -2.55 -0.18 0.00 -1.33 0.00 0.00 58.87 54.64 1bwm n SER 54 Cb 0.61 -0.13 -0.16 0.00 -0.75 0.00 0.00 64.21 63.78 1bwm n SER 54 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1bwm s THR 55 N -2.34 0.40 0.00 2.46 -1.32 -1.26 -4.65 115.64 108.94 1bwm s THR 55 Ca 0.25 -0.11 0.00 0.00 -1.21 0.00 0.00 61.69 60.62 1bwm s THR 55 Cb 0.43 -0.41 0.00 0.00 -1.51 0.00 0.00 72.50 71.01 1bwm s THR 55 CO -0.00 0.16 0.00 -1.84 -2.21 0.00 0.00 174.62 170.73 1bwm n GLU 56 N 3.63 0.00 -1.79 7.08 0.28 -1.26 -4.79 120.64 123.80 1bwm n GLU 56 Ca -0.21 0.00 -0.04 0.00 -0.16 0.00 0.00 57.16 56.75 1bwm n GLU 56 Cb 0.53 0.00 0.02 0.00 1.43 0.00 0.00 31.44 33.43 1bwm n GLU 56 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 1bwm n LYS 57 N 0.00 0.63 0.00 3.44 0.00 -1.23 -5.02 118.16 115.98 1bwm n LYS 57 Ca 0.00 -1.30 0.00 0.00 -0.00 0.00 0.00 58.31 57.01 1bwm n LYS 57 Cb 0.00 0.32 0.00 0.00 -0.00 0.00 0.00 35.03 35.35 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 -0.60 -2.83 0.22 2.58 0.00 0.34 -4.93 105.19 99.97 1bwm n GLY 58 Ca -0.20 -0.31 -0.05 0.00 0.00 0.00 0.00 46.02 45.46 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 1.31 -3.54 1.61 -0.08 -1.07 -4.86 116.55 109.92 1bwm n ASP 59 Ca 0.00 0.22 -0.27 0.00 -1.51 0.00 0.00 54.79 53.23 1bwm n ASP 59 Cb 0.00 -0.60 -0.09 0.00 2.34 0.00 0.00 41.12 42.76 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 -3.81 1.20 -1.61 5.18 -5.35 -1.26 -4.97 119.36 108.74 1bwm n ILE 60 Ca -0.09 -4.69 -0.15 0.00 -0.27 0.00 0.00 62.75 57.56 1bwm n ILE 60 Cb 0.32 -2.05 -0.09 0.00 -1.74 0.00 0.00 39.64 36.08 1bwm n ILE 60 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 1bwm s PRO 61 N -1.63 1.42 -0.26 6.28 0.04 -1.26 -4.80 135.00 134.79 1bwm s PRO 61 Ca 0.33 0.01 -0.26 0.00 0.04 0.00 0.00 61.00 61.13 1bwm s PRO 61 Cb 0.08 -4.89 0.09 0.00 0.04 0.00 0.00 34.50 29.82 1bwm s PRO 61 CO -0.10 -4.94 0.86 0.16 0.04 0.00 0.00 177.00 173.02 1bwm s ASP 62 N 9.65 -0.60 0.00 6.66 1.47 -1.26 -4.93 116.67 127.65 1bwm s ASP 62 Ca 0.86 1.11 0.00 0.00 1.18 0.00 0.00 52.55 55.71 1bwm s ASP 62 Cb -0.09 1.11 0.00 0.00 -0.34 0.00 0.00 42.92 43.60 1bwm s ASP 62 CO 0.13 -0.24 0.00 0.61 0.68 0.00 0.00 175.17 176.35 1bwm n GLY 63 N 2.29 3.20 3.34 2.12 0.00 -1.26 -5.01 105.19 109.85 1bwm n GLY 63 Ca -0.13 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.97 1.58 0.29 1.61 1.13 -1.26 -4.14 117.35 113.59 1bwm s TYR 65 Ca 0.00 -1.29 0.07 0.00 -1.41 0.00 0.00 57.07 54.43 1bwm s TYR 65 Cb 0.00 -0.89 -0.06 0.00 -1.10 0.00 0.00 41.96 39.91 1bwm s TYR 65 CO 0.00 -0.44 -0.05 0.15 -2.51 0.00 0.00 175.55 172.69 1bwm s LYS 66 N -3.90 1.60 0.12 -3.49 1.02 0.68 -4.99 119.74 110.79 1bwm s LYS 66 Ca 0.36 -1.82 -0.23 0.00 0.02 0.00 0.00 55.97 54.30 1bwm s LYS 66 Cb 0.06 -1.22 0.06 0.00 -0.52 0.00 0.00 37.83 36.21 1bwm s LYS 66 CO 0.16 0.04 0.56 0.00 -0.92 0.00 0.00 175.35 175.19 1bwm s ALA 67 N -2.97 -1.47 -0.21 5.17 0.00 -1.26 -2.60 121.76 118.42 1bwm s ALA 67 Ca 0.30 0.49 -0.27 0.00 0.00 0.00 0.00 51.96 52.49 1bwm s ALA 67 Cb 0.04 0.71 0.08 0.00 0.00 0.00 0.00 23.12 23.95 1bwm s ALA 67 CO 0.13 -0.68 0.77 -1.12 0.00 0.00 0.00 175.76 174.86 1bwm s SER 68 N -2.52 -0.67 -0.80 0.00 0.01 -1.08 -5.03 113.70 103.62 1bwm s SER 68 Ca -0.01 1.14 0.02 0.00 1.31 0.00 0.00 55.95 58.41 1bwm s SER 68 Cb -0.00 1.10 0.20 0.00 0.21 0.00 0.00 66.02 67.52 1bwm s SER 68 CO -0.09 -0.33 0.65 -1.14 0.41 0.00 0.00 173.24 172.74 1bwm n ARG 69 N 2.09 2.25 -0.29 12.44 3.00 -1.26 -2.64 116.66 132.24 1bwm n ARG 69 Ca -0.15 -4.50 0.06 0.00 -0.00 0.00 0.00 57.85 53.26 1bwm n ARG 69 Cb 0.56 -2.35 0.27 0.00 0.00 0.00 0.00 32.46 30.95 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 5.61 0.91 -4.43 -0.14 0.13 -1.95 1.04 132.00 133.18 1bwm h PRO 70 Ca 0.16 -0.05 -0.17 0.00 -0.87 0.00 0.00 66.00 65.06 1bwm h PRO 70 Cb 0.77 -0.21 -0.15 0.00 0.13 0.00 0.00 31.00 31.54 1bwm h PRO 70 CO 0.79 0.60 -0.69 -1.12 -0.23 0.00 0.00 178.00 177.36 1bwm s SER 71 N -5.97 0.78 0.64 1.44 0.01 -1.26 -4.57 113.70 104.79 1bwm s SER 71 Ca -0.11 -0.96 0.39 0.00 1.31 0.00 0.00 55.95 56.57 1bwm s SER 71 Cb 0.20 0.14 2.16 0.00 0.21 0.00 0.00 66.02 68.74 1bwm s SER 71 CO 0.80 -0.51 2.29 -0.61 0.41 0.00 0.00 173.24 175.61 1bwm h GLN 72 N 3.18 0.00 0.00 12.44 4.15 -1.84 -2.12 115.11 130.92 1bwm h GLN 72 Ca -0.35 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.06 1bwm h GLN 72 Cb 1.16 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.84 1bwm h GLN 72 CO 0.63 0.00 -1.64 0.39 -1.93 0.00 0.00 178.83 176.29 1bwm n GLU 73 N -3.31 0.50 -3.33 1.69 4.71 -1.26 -4.93 120.64 114.71 1bwm n GLU 73 Ca -0.03 -0.12 -0.33 0.00 -0.01 0.00 0.00 57.16 56.67 1bwm n GLU 73 Cb 0.12 -1.32 -0.06 0.00 -1.01 0.00 0.00 31.44 29.17 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 -3.62 6.74 -0.24 1.62 3.84 -0.80 -0.89 114.94 121.59 1bwm s ASN 74 Ca -0.05 1.07 -0.15 0.00 0.21 0.00 0.00 52.86 53.93 1bwm s ASN 74 Cb 0.08 -2.28 0.07 0.00 -0.55 0.00 0.00 41.25 38.57 1bwm s ASN 74 CO 0.56 -0.04 0.61 0.12 -2.79 0.00 0.00 177.10 175.56 1bwm s PHE 75 N -1.72 -0.89 -0.01 0.43 2.19 -1.08 -4.00 117.98 112.91 1bwm s PHE 75 Ca 0.45 1.84 0.05 0.00 0.33 0.00 0.00 56.93 59.60 1bwm s PHE 75 Cb -0.12 0.48 -0.01 0.00 -1.31 0.00 0.00 43.02 42.05 1bwm s PHE 75 CO 0.20 -0.45 -0.15 -1.12 1.83 0.00 0.00 175.22 175.53 1bwm s SER 76 N 1.35 1.71 -0.04 6.13 0.01 -1.08 -1.66 113.70 120.13 1bwm s SER 76 Ca -0.08 -0.28 0.01 0.00 1.31 0.00 0.00 55.95 56.91 1bwm s SER 76 Cb -0.06 -0.18 0.02 0.00 0.21 0.00 0.00 66.02 66.01 1bwm s SER 76 CO -0.15 0.17 -0.04 -0.76 0.41 0.00 0.00 173.24 172.87 1bwm s LEU 77 N -0.41 1.43 0.23 2.44 2.01 -1.07 -2.64 118.68 120.67 1bwm s LEU 77 Ca 0.05 -0.12 -0.09 0.00 0.01 0.00 0.00 54.13 53.98 1bwm s LEU 77 Cb -0.06 -0.42 -0.02 0.00 0.01 0.00 0.00 46.19 45.71 1bwm s LEU 77 CO -0.00 -0.04 0.37 0.27 1.01 0.00 0.00 176.35 177.96 1bwm s ILE 78 N 0.75 0.00 0.23 -0.59 -0.00 -1.07 -1.65 121.20 118.87 1bwm s ILE 78 Ca -0.10 -1.59 0.03 0.00 -0.00 0.00 0.00 60.65 58.99 1bwm s ILE 78 Cb -0.13 -2.29 -0.05 0.00 -0.00 0.00 0.00 42.46 39.99 1bwm s ILE 78 CO 0.00 -0.00 0.00 -0.76 -0.00 0.00 0.00 174.94 174.18 1bwm s LEU 79 N -3.06 2.16 0.00 0.37 1.02 -0.87 -0.23 118.68 118.08 1bwm s LEU 79 Ca 0.27 -1.22 0.00 0.00 0.02 0.00 0.00 54.13 53.20 1bwm s LEU 79 Cb 0.02 -0.24 0.00 0.00 0.02 0.00 0.00 46.19 45.99 1bwm s LEU 79 CO 0.10 -0.53 0.66 -0.62 0.02 0.00 0.00 176.35 175.99 1bwm n GLU 80 N -0.40 0.00 -2.79 1.70 1.02 -1.26 -2.63 120.64 116.27 1bwm n GLU 80 Ca -0.05 -0.63 0.01 0.00 -0.02 0.00 0.00 57.16 56.47 1bwm n GLU 80 Cb 0.64 -0.44 0.01 0.00 -0.02 0.00 0.00 31.44 31.63 1bwm n GLU 80 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1bwm s LEU 81 N 0.00 -0.41 -0.04 -4.62 2.96 -1.26 -4.82 118.68 110.48 1bwm s LEU 81 Ca 0.00 -0.23 0.03 0.00 -0.22 0.00 0.00 54.13 53.71 1bwm s LEU 81 Cb 0.00 0.53 -0.03 0.00 0.50 0.00 0.00 46.19 47.19 1bwm s LEU 81 CO 0.00 -0.04 -0.12 0.00 -1.32 0.00 0.00 176.35 174.87 1bwm s ALA 82 N 1.90 2.78 0.50 5.97 0.00 -1.26 -4.89 121.76 126.75 1bwm s ALA 82 Ca 0.15 -0.97 0.03 0.00 0.00 0.00 0.00 51.96 51.17 1bwm s ALA 82 Cb 0.03 -1.04 -0.02 0.00 0.00 0.00 0.00 23.12 22.10 1bwm s ALA 82 CO -0.14 0.57 0.07 -0.08 0.00 0.00 0.00 175.76 176.17 1bwm s THR 83 N -0.79 1.41 -0.02 0.00 -1.32 -1.26 -2.06 115.64 111.59 1bwm s THR 83 Ca 0.12 -1.92 -0.02 0.00 -1.21 0.00 0.00 61.69 58.66 1bwm s THR 83 Cb -0.11 -2.32 -0.11 0.00 -1.51 0.00 0.00 72.50 68.45 1bwm s THR 83 CO 0.02 0.00 1.76 -0.81 -2.21 0.00 0.00 174.62 173.38 1bwm n PRO 84 N -1.29 0.83 0.00 7.08 -0.05 -1.23 -2.53 135.00 137.81 1bwm n PRO 84 Ca -0.14 -0.42 0.00 0.00 -0.05 0.00 0.00 63.50 62.89 1bwm n PRO 84 Cb 0.66 -1.72 0.00 0.00 -0.05 0.00 0.00 33.50 32.40 1bwm n PRO 84 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 175.50 175.88 1bwm n SER 85 N 2.84 0.00 0.00 3.54 7.64 -1.26 -4.88 113.62 121.50 1bwm n SER 85 Ca 0.18 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.06 1bwm n SER 85 Cb 0.36 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.56 1bwm n SER 85 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1bwm n GLN 86 N 0.00 0.00 -0.30 1.43 1.13 -1.05 -5.11 117.38 113.48 1bwm n GLN 86 Ca 0.00 0.00 -0.18 0.00 -1.94 0.00 0.00 57.00 54.88 1bwm n GLN 86 Cb 0.00 -0.40 0.18 0.00 0.11 0.00 0.00 30.24 30.12 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 -1.08 0.00 -3.60 5.09 -1.04 -1.26 -4.98 114.28 107.42 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 0.00 -0.60 0.00 0.00 -1.82 0.00 0.00 70.33 67.91 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 -3.22 0.00 -4.38 8.00 7.64 -1.02 -4.96 113.62 115.69 1bwm n SER 88 Ca 0.08 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.61 1bwm n SER 88 Cb 0.36 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.43 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 -3.00 3.68 -0.07 0.44 1.01 -0.99 -2.29 120.40 119.17 1bwm s VAL 89 Ca 0.00 -0.40 -0.24 0.00 0.00 0.00 0.00 61.98 61.34 1bwm s VAL 89 Cb 0.00 -2.67 -0.03 0.00 0.00 0.00 0.00 36.38 33.68 1bwm s VAL 89 CO 0.00 0.42 0.74 -0.31 0.00 0.00 0.00 175.10 175.94 1bwm s TYR 90 N 1.27 3.56 -0.07 5.22 1.51 0.23 -0.90 117.35 128.17 1bwm s TYR 90 Ca 0.03 1.28 0.04 0.00 -1.01 0.00 0.00 57.07 57.42 1bwm s TYR 90 Cb -0.14 -2.85 -0.00 0.00 -0.11 0.00 0.00 41.96 38.85 1bwm s TYR 90 CO -0.00 0.04 -0.21 -0.06 -1.11 0.00 0.00 175.55 174.21 1bwm s PHE 91 N 0.97 2.18 -0.28 2.71 0.08 -0.11 -1.45 117.98 122.08 1bwm s PHE 91 Ca 0.39 -0.78 -0.01 0.00 0.12 0.00 0.00 56.93 56.65 1bwm s PHE 91 Cb -0.18 -1.47 0.05 0.00 -0.57 0.00 0.00 43.02 40.85 1bwm s PHE 91 CO 0.18 -0.30 -0.03 0.00 -0.10 0.00 0.00 175.22 174.97 1bwm s ALA 93 N 1.24 3.18 -0.12 0.00 0.00 -1.07 -2.73 121.76 122.26 1bwm s ALA 93 Ca -0.05 -2.00 -0.06 0.00 0.00 0.00 0.00 51.96 49.85 1bwm s ALA 93 Cb -0.19 -0.30 0.05 0.00 0.00 0.00 0.00 23.12 22.68 1bwm s ALA 93 CO -0.02 0.05 0.29 -1.12 0.00 0.00 0.00 175.76 174.96 1bwm s SER 94 N -3.71 -0.24 0.29 0.00 0.01 -1.23 -2.16 113.70 106.67 1bwm s SER 94 Ca 0.35 0.62 0.03 0.00 1.31 0.00 0.00 55.95 58.26 1bwm s SER 94 Cb 0.01 0.55 -0.04 0.00 0.21 0.00 0.00 66.02 66.75 1bwm s SER 94 CO 0.19 -0.18 0.17 -0.83 0.41 0.00 0.00 173.24 172.99 1bwm s GLY 95 N 1.48 1.97 0.00 3.44 0.00 -0.86 -2.29 107.32 111.05 1bwm s GLY 95 Ca -0.08 -1.79 0.00 0.00 0.00 0.00 0.00 44.72 42.85 1bwm s GLY 95 CO -0.10 -1.54 0.00 0.61 0.00 0.00 0.00 173.10 172.08 1bwm n GLY 96 N -0.52 2.11 3.08 0.20 0.00 -1.26 -2.76 105.19 106.04 1bwm n GLY 96 Ca 0.02 -1.88 -0.21 0.00 0.00 0.00 0.00 46.02 43.95 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 3.99 0.97 -0.04 1.61 -0.21 -1.26 -4.68 119.66 120.05 1bwm s GLN 97 Ca 0.00 -0.47 -0.03 0.00 0.02 0.00 0.00 55.36 54.88 1bwm s GLN 97 Cb 0.00 -0.94 0.01 0.00 1.00 0.00 0.00 33.01 33.08 1bwm s GLN 97 CO 0.00 0.26 0.05 0.41 -2.12 0.00 0.00 175.29 173.89 1bwm n GLY 98 N 2.68 -3.82 3.33 3.09 0.00 -1.26 -4.72 105.19 104.49 1bwm n GLY 98 Ca -0.14 0.09 -0.10 0.00 0.00 0.00 0.00 46.02 45.87 1bwm n GLY 98 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1bwm n ARG 99 N 0.62 -1.42 -4.06 1.61 0.63 -1.26 -5.02 116.66 107.76 1bwm n ARG 99 Ca -0.09 1.17 -0.09 0.00 -0.92 0.00 0.00 57.85 57.92 1bwm n ARG 99 Cb 0.14 -4.62 -0.11 0.00 0.45 0.00 0.00 32.46 28.33 1bwm n ARG 99 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1bwm s ALA 104 N -3.05 0.48 0.35 5.13 0.00 -1.26 -5.01 121.76 118.41 1bwm s ALA 104 Ca 0.06 -0.96 0.08 0.00 0.00 0.00 0.00 51.96 51.14 1bwm s ALA 104 Cb -0.02 0.17 -0.04 0.00 0.00 0.00 0.00 23.12 23.24 1bwm s ALA 104 CO 0.80 -0.22 0.21 -1.83 0.00 0.00 0.00 175.76 174.72 1bwm s GLU 105 N -2.71 2.47 -0.57 0.00 -1.05 -1.26 -4.90 118.70 110.68 1bwm s GLU 105 Ca -0.02 -1.50 -0.20 0.00 -0.15 0.00 0.00 54.97 53.09 1bwm s GLU 105 Cb -0.01 -2.26 0.08 0.00 -0.44 0.00 0.00 34.13 31.49 1bwm s GLU 105 CO -0.04 0.06 0.73 -1.14 0.95 0.00 0.00 175.26 175.81 1bwm s GLN 106 N -3.92 3.10 -1.07 -4.83 2.00 -1.26 -4.33 119.66 109.35 1bwm s GLN 106 Ca 0.40 -1.01 -0.20 0.00 -2.00 0.00 0.00 55.36 52.55 1bwm s GLN 106 Cb -0.03 -4.18 -0.07 0.00 0.80 0.00 0.00 33.01 29.53 1bwm s GLN 106 CO 0.24 -1.46 1.99 1.19 -0.50 0.00 0.00 175.29 176.75 1bwm n PHE 107 N 6.55 2.73 -1.78 1.67 3.72 -0.97 -4.64 117.46 124.74 1bwm n PHE 107 Ca -0.07 -2.17 -0.42 0.00 -0.05 0.00 0.00 57.45 54.74 1bwm n PHE 107 Cb 0.44 -2.17 -0.03 0.00 -0.94 0.00 0.00 39.48 36.79 1bwm n PHE 107 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 1bwm s PHE 108 N 5.39 1.49 0.00 1.38 0.08 -1.26 -3.51 117.98 121.55 1bwm s PHE 108 Ca 0.56 -0.11 0.00 0.00 0.12 0.00 0.00 56.93 57.50 1bwm s PHE 108 Cb 0.11 -4.11 0.00 0.00 -0.57 0.00 0.00 43.02 38.45 1bwm s PHE 108 CO 0.06 -4.80 0.00 0.41 -0.10 0.00 0.00 175.22 170.80 1bwm n GLY 109 N 4.60 1.06 3.73 4.36 0.00 -1.11 -4.77 105.19 113.06 1bwm n GLY 109 Ca 0.20 -1.91 -0.37 0.00 0.00 0.00 0.00 46.02 43.95 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 2.01 2.48 0.04 1.61 0.01 -1.26 -4.74 135.00 135.14 1bwm s PRO 110 Ca 0.00 2.03 0.02 0.00 0.01 0.00 0.00 61.00 63.06 1bwm s PRO 110 Cb 0.00 -1.84 -0.02 0.00 0.01 0.00 0.00 34.50 32.65 1bwm s PRO 110 CO 0.00 -1.65 -0.07 0.20 0.01 0.00 0.00 177.00 175.49 1bwm s GLY 111 N -1.47 0.47 -0.03 0.52 0.00 -1.26 -4.18 107.32 101.36 1bwm s GLY 111 Ca 0.82 -0.70 -0.07 0.00 0.00 0.00 0.00 44.72 44.77 1bwm s GLY 111 CO 0.40 -0.74 0.23 -1.59 0.00 0.00 0.00 173.10 171.40 1bwm s THR 112 N -1.25 5.36 -0.18 0.90 2.01 -0.53 -4.90 115.64 117.05 1bwm s THR 112 Ca -0.09 0.18 -0.02 0.00 0.31 0.00 0.00 61.69 62.07 1bwm s THR 112 Cb -0.09 -3.53 0.05 0.00 0.01 0.00 0.00 72.50 68.94 1bwm s THR 112 CO 0.00 0.44 0.01 0.00 -0.69 0.00 0.00 174.62 174.39 1bwm s ARG 113 N -1.54 0.83 0.02 4.92 1.04 -1.26 0.75 118.95 123.72 1bwm s ARG 113 Ca 0.24 -0.41 -0.01 0.00 -1.04 0.00 0.00 55.73 54.50 1bwm s ARG 113 Cb -0.13 -1.98 -0.02 0.00 -2.04 0.00 0.00 34.95 30.78 1bwm s ARG 113 CO 0.13 -0.56 -0.00 -0.48 -0.04 0.00 0.00 175.30 174.34 1bwm s LEU 114 N 1.81 2.16 -0.03 -1.89 0.05 -0.97 -4.55 118.68 115.26 1bwm s LEU 114 Ca -0.00 -0.53 0.05 0.00 0.05 0.00 0.00 54.13 53.70 1bwm s LEU 114 Cb -0.16 0.22 -0.01 0.00 -2.05 0.00 0.00 46.19 44.18 1bwm s LEU 114 CO -0.07 -0.36 -0.19 -0.89 -0.55 0.00 0.00 176.35 174.29 1bwm s THR 115 N -1.85 1.52 -0.33 5.48 2.01 -1.26 -2.43 115.64 118.78 1bwm s THR 115 Ca -0.12 -0.80 -0.17 0.00 0.31 0.00 0.00 61.69 60.91 1bwm s THR 115 Cb -0.07 -1.28 -0.01 0.00 0.01 0.00 0.00 72.50 71.15 1bwm s THR 115 CO -0.02 0.43 0.46 -0.69 -0.69 0.00 0.00 174.62 174.11 1bwm s VAL 116 N -0.26 5.08 0.26 3.82 1.01 -1.25 -2.44 120.40 126.61 1bwm s VAL 116 Ca 0.03 0.34 0.00 0.00 0.00 0.00 0.00 61.98 62.34 1bwm s VAL 116 Cb -0.09 -3.89 0.00 0.00 0.00 0.00 0.00 36.38 32.40 1bwm s VAL 116 CO 0.01 -0.12 0.00 -0.11 0.00 0.00 0.00 175.10 174.88 1bwm n LEU 116 N 5.59 -0.53 0.00 3.92 7.94 -0.90 -3.47 117.00 129.54 1bwm n LEU 116 Ca -0.06 1.18 -0.08 0.00 -1.11 0.00 0.00 56.01 55.94 1bwm n LEU 116 Cb 0.49 -3.39 0.00 0.00 0.53 0.00 0.00 43.42 41.05 1bwm n LEU 116 CO 0.43 -2.78 0.26 0.61 -1.11 0.00 0.00 177.39 174.80 1bwm n GLY 201 N -3.28 1.75 2.08 -3.96 0.00 -1.26 -4.71 105.19 95.80 1bwm n GLY 201 Ca 0.00 -1.32 -0.25 0.00 0.00 0.00 0.00 46.02 44.45 1bwm n GLY 201 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1bwm n SER 202 N -1.53 5.30 -4.68 1.61 7.64 -1.26 -4.94 113.62 115.76 1bwm n SER 202 Ca -0.03 -3.73 -0.35 0.00 1.01 0.00 0.00 58.87 55.76 1bwm n SER 202 Cb 0.40 -0.81 -0.09 0.00 -1.01 0.00 0.00 64.21 62.70 1bwm n SER 202 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1bwm s ASP 203 N -1.99 5.24 -0.07 6.43 1.11 -1.26 -5.02 116.67 121.11 1bwm s ASP 203 Ca 0.58 0.14 -0.06 0.00 0.18 0.00 0.00 52.55 53.39 1bwm s ASP 203 Cb 0.47 -1.49 -0.04 0.00 1.07 0.00 0.00 42.92 42.94 1bwm s ASP 203 CO 0.03 0.37 -0.13 0.00 1.18 0.00 0.00 175.17 176.62 1bwm n TYR 204 N 2.17 0.00 -3.25 4.23 9.36 -1.26 -5.07 117.16 123.34 1bwm n TYR 204 Ca -0.19 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 60.92 1bwm n TYR 204 Cb 0.54 -0.31 0.01 0.00 -0.63 0.00 0.00 39.34 38.94 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 -3.60 -1.64 -1.20 2.98 3.00 -1.26 -4.94 118.16 111.49 1bwm n LYS 205 Ca -0.16 1.42 0.04 0.00 -0.00 0.00 0.00 58.31 59.62 1bwm n LYS 205 Cb 0.50 -4.48 0.09 0.00 0.00 0.00 0.00 35.03 31.13 1bwm n LYS 205 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1bwm n ASP 206 N -1.55 1.28 0.00 3.14 -0.08 -1.26 -5.12 116.55 112.96 1bwm n ASP 206 Ca -0.07 -2.69 0.00 0.00 -1.51 0.00 0.00 54.79 50.52 1bwm n ASP 206 Cb 0.56 -0.38 0.00 0.00 2.34 0.00 0.00 41.12 43.64 1bwm n ASP 206 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1bwm n ASP 207 N -0.09 -0.74 -1.46 1.67 8.00 -1.26 -4.96 116.55 117.70 1bwm n ASP 207 Ca 0.11 0.00 0.18 0.00 0.71 0.00 0.00 54.79 55.79 1bwm n ASP 207 Cb 0.98 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 42.00 1bwm n ASP 207 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1bwm n ASP 208 N -3.37 -8.48 -2.10 -2.24 2.03 -1.26 -4.91 116.55 96.21 1bwm n ASP 208 Ca 0.00 1.17 0.00 0.00 0.52 0.00 0.00 54.79 56.48 1bwm n ASP 208 Cb 0.00 -4.82 0.00 0.00 -0.72 0.00 0.00 41.12 35.58 1bwm n ASP 208 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1bwm n ASP 209 N -4.36 0.00 -2.23 1.67 -0.08 -1.26 -4.96 116.55 105.33 1bwm n ASP 209 Ca -0.06 -0.87 -0.26 0.00 -1.51 0.00 0.00 54.79 52.09 1bwm n ASP 209 Cb 0.69 0.00 0.16 0.00 2.34 0.00 0.00 41.12 44.31 1bwm n ASP 209 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1bwm n LYS 210 N -0.87 2.32 -4.64 -0.67 5.02 -1.26 -4.95 118.16 113.10 1bwm n LYS 210 Ca 0.00 -3.01 -0.29 0.00 -2.02 0.00 0.00 58.31 52.98 1bwm n LYS 210 Cb 0.00 -2.18 -0.08 0.00 -0.02 0.00 0.00 35.03 32.75 1bwm n LYS 210 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1bwm s ARG 211 N -3.35 2.07 -1.29 1.97 0.52 -1.26 -4.77 118.95 112.85 1bwm s ARG 211 Ca 0.58 -2.30 -0.06 0.00 -0.52 0.00 0.00 55.73 53.42 1bwm s ARG 211 Cb 0.48 -1.07 0.04 0.00 0.52 0.00 0.00 34.95 34.92 1bwm s ARG 211 CO 0.08 -0.43 0.40 0.43 0.02 0.00 0.00 175.30 175.81 1bwm n SER 212 N -1.31 -4.24 -3.57 0.23 7.64 -1.26 -4.91 113.62 106.20 1bwm n SER 212 Ca -0.13 -0.23 -0.10 0.00 1.01 0.00 0.00 58.87 59.42 1bwm n SER 212 Cb 0.66 -3.51 -0.05 0.00 -1.01 0.00 0.00 64.21 60.30 1bwm n SER 212 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1bwm s GLY 213 N -2.56 -0.29 0.00 0.23 0.00 -1.26 -5.10 107.32 98.34 1bwm s GLY 213 Ca 0.29 1.90 0.00 0.00 0.00 0.00 0.00 44.72 46.90 1bwm s GLY 213 CO 0.35 0.93 0.00 0.61 0.00 0.00 0.00 173.10 175.00 1bwm n GLY 214 N 0.59 1.42 0.00 0.20 0.00 -1.26 -4.95 105.19 101.19 1bwm n GLY 214 Ca -0.10 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.17 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 2.36 0.00 -0.02 0.00 -1.26 -5.18 105.19 101.10 1bwm n GLY 215 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.51 2.24 3.02 -0.02 0.00 -1.26 -4.91 105.19 103.76 1bwm n GLY 216 Ca 0.00 -1.99 -0.13 0.00 0.00 0.00 0.00 46.02 43.89 1bwm n GLY 216 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1bwm n SER 217 N 0.00 -7.23 -3.44 1.61 7.64 -1.26 -4.98 113.62 105.96 1bwm n SER 217 Ca 0.00 0.54 0.00 0.00 1.01 0.00 0.00 58.87 60.42 1bwm n SER 217 Cb 0.00 -4.06 0.00 0.00 -1.01 0.00 0.00 64.21 59.14 1bwm n SER 217 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bwm n GLY 218 N 0.11 -2.65 1.79 0.23 0.00 -1.26 -5.03 105.19 98.37 1bwm n GLY 218 Ca 0.03 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.71 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 1.63 -1.86 0.00 -0.02 0.00 -1.26 -5.12 105.19 98.55 1bwm n GLY 219 Ca 0.00 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.49 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 -1.49 0.81 2.80 -0.02 0.00 -1.26 -5.04 105.19 100.99 1bwm n GLY 220 Ca 0.00 -0.64 -0.33 0.00 0.00 0.00 0.00 46.02 45.05 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 0.00 5.84 1.56 -0.02 0.00 -1.26 -5.03 105.19 106.28 1bwm n GLY 221 Ca 0.00 -2.70 -0.08 0.00 0.00 0.00 0.00 46.02 43.24 1bwm n GLY 221 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1bwm n SER 222 N -0.20 1.00 0.00 1.61 3.41 -1.26 -5.04 113.62 113.14 1bwm n SER 222 Ca 0.38 -1.64 0.00 0.00 -0.26 0.00 0.00 58.87 57.35 1bwm n SER 222 Cb 0.35 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.15 1bwm n SER 222 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1bwm n GLY 223 N 2.20 -1.63 0.04 5.00 0.00 -1.26 -5.17 105.19 104.37 1bwm n GLY 223 Ca 0.05 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.71 1bwm n GLY 223 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bwm n GLY 224 N 0.00 -1.94 2.93 -0.02 0.00 -1.26 -5.00 105.19 99.89 1bwm n GLY 224 Ca 0.00 -1.49 -0.13 0.00 0.00 0.00 0.00 46.02 44.40 1bwm n GLY 224 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bwm s SER 225 N -4.99 -0.08 0.54 1.61 1.04 -1.26 -5.02 113.70 105.54 1bwm s SER 225 Ca 0.00 0.19 0.00 0.00 0.48 0.00 0.00 55.95 56.62 1bwm s SER 225 Cb 0.00 0.15 0.00 0.00 0.10 0.00 0.00 66.02 66.27 1bwm s SER 225 CO 0.00 -0.07 0.00 0.61 0.98 0.00 0.00 173.24 174.76 1bwm n GLY 226 N 3.49 1.59 1.34 7.32 0.00 -1.26 -5.06 105.19 112.60 1bwm n GLY 226 Ca -0.18 0.06 0.18 0.00 0.00 0.00 0.00 46.02 46.08 1bwm n GLY 226 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bwm n ALA 227 N 5.83 -3.63 0.00 4.61 0.00 -1.26 -5.23 120.51 120.84 1bwm n ALA 227 Ca 0.00 0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.94 1bwm n ALA 227 Cb 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.17 1bwm n ALA 227 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1bwm n GLN 301 N -3.98 0.00 -0.01 0.00 -0.06 -1.26 -5.23 117.38 106.84 1bwm n GLN 301 Ca -0.01 0.00 -0.04 0.00 -2.00 0.00 0.00 57.00 54.95 1bwm n GLN 301 Cb 0.66 0.00 -0.01 0.00 -4.06 0.00 0.00 30.24 26.82 1bwm n GLN 301 CO 0.00 0.00 0.00 1.04 -0.20 0.00 0.00 177.06 177.90 1bwm n GLN 302 N 0.00 0.15 -1.68 3.69 6.02 -1.26 -4.95 117.38 119.35 1bwm n GLN 302 Ca 0.00 0.06 -0.45 0.00 -0.01 0.00 0.00 57.00 56.61 1bwm n GLN 302 Cb 0.00 -0.76 -0.04 0.00 1.02 0.00 0.00 30.24 30.46 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 -3.61 0.22 -3.75 5.09 0.31 -1.26 -3.76 118.33 111.57 1bwm n VAL 303 Ca -0.08 -0.04 -0.30 0.00 -0.01 0.00 0.00 64.34 63.91 1bwm n VAL 303 Cb 0.31 -1.85 -0.14 0.00 -0.91 0.00 0.00 33.84 31.25 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 2.08 1.10 0.17 5.55 3.52 -1.08 -4.20 118.95 126.09 1bwm s ARG 304 Ca 0.82 -1.66 -0.21 0.00 -0.13 0.00 0.00 55.73 54.54 1bwm s ARG 304 Cb -0.59 -2.29 -0.08 0.00 -1.56 0.00 0.00 34.95 30.42 1bwm s ARG 304 CO 0.39 -1.08 0.70 -0.65 -0.81 0.00 0.00 175.30 173.86 1bwm s GLN 305 N 0.85 4.33 -0.67 5.12 -1.52 -1.25 -1.19 119.66 125.33 1bwm s GLN 305 Ca 0.14 0.92 -0.35 0.00 -1.95 0.00 0.00 55.36 54.12 1bwm s GLN 305 Cb -0.21 -3.07 -0.17 0.00 -0.22 0.00 0.00 33.01 29.34 1bwm s GLN 305 CO -0.09 0.50 2.41 0.45 -0.25 0.00 0.00 175.29 178.31 1bwm n SER 306 N 1.19 1.07 -3.30 5.90 2.88 0.02 -4.82 113.62 116.56 1bwm n SER 306 Ca -0.05 0.26 0.00 0.00 -1.33 0.00 0.00 58.87 57.75 1bwm n SER 306 Cb 0.50 -1.08 0.00 0.00 -0.75 0.00 0.00 64.21 62.89 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 8.25 -0.18 -1.16 -1.46 -0.05 -1.26 -4.10 135.00 135.03 1bwm n PRO 307 Ca 0.54 0.00 -0.06 0.00 -0.05 0.00 0.00 63.50 63.93 1bwm n PRO 307 Cb 0.12 0.00 -0.02 0.00 -0.05 0.00 0.00 33.50 33.55 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 -0.82 -1.66 0.00 0.54 7.27 -1.26 -4.79 117.38 116.66 1bwm n GLN 308 Ca 0.00 0.66 0.00 0.00 0.07 0.00 0.00 57.00 57.73 1bwm n GLN 308 Cb 0.00 -5.00 0.00 0.00 2.41 0.00 0.00 30.24 27.65 1bwm n GLN 308 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 1bwm n SER 309 N -0.95 -0.74 -3.64 1.69 2.88 -1.26 -4.89 113.62 106.71 1bwm n SER 309 Ca -0.06 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.45 1bwm n SER 309 Cb 0.50 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.90 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 -0.43 -0.12 2.46 0.20 0.26 -4.81 118.68 116.24 1bwm s LEU 310 Ca 0.00 0.72 -0.03 0.00 0.69 0.00 0.00 54.13 55.51 1bwm s LEU 310 Cb 0.00 1.68 -0.03 0.00 -0.43 0.00 0.00 46.19 47.41 1bwm s LEU 310 CO 0.00 -0.12 -0.00 -0.89 -0.29 0.00 0.00 176.35 175.05 1bwm s THR 311 N 1.04 4.24 0.45 3.68 2.01 -1.26 -1.47 115.64 124.33 1bwm s THR 311 Ca -0.06 -0.26 0.08 0.00 0.31 0.00 0.00 61.69 61.77 1bwm s THR 311 Cb -0.04 -2.82 0.02 0.00 0.01 0.00 0.00 72.50 69.67 1bwm s THR 311 CO -0.13 0.55 0.55 -0.69 -0.69 0.00 0.00 174.62 174.22 1bwm s VAL 312 N -0.36 2.73 -0.94 3.82 1.01 0.04 -4.89 120.40 121.83 1bwm s VAL 312 Ca 0.07 -1.10 0.08 0.00 0.00 0.00 0.00 61.98 61.03 1bwm s VAL 312 Cb -0.12 -2.83 0.40 0.00 0.00 0.00 0.00 36.38 33.83 1bwm s VAL 312 CO 0.02 0.00 1.17 0.79 0.00 0.00 0.00 175.10 177.08 1bwm n TRP 313 N -1.84 0.94 -1.54 5.22 8.01 -1.26 0.14 117.44 127.10 1bwm n TRP 313 Ca 0.08 -0.34 0.00 0.00 -1.31 0.00 0.00 57.50 55.92 1bwm n TRP 313 Cb 0.60 -0.24 0.00 0.00 -2.01 0.00 0.00 31.31 29.66 1bwm n TRP 313 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.69 174.77 1bwm n GLU 314 N 0.39 -4.34 -2.23 -0.99 2.13 -1.26 -4.60 120.64 109.74 1bwm n GLU 314 Ca 0.14 3.15 -0.10 0.00 0.66 0.00 0.00 57.16 61.01 1bwm n GLU 314 Cb 0.64 -3.48 -0.00 0.00 0.27 0.00 0.00 31.44 28.87 1bwm n GLU 314 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1bwm n GLY 315 N 0.14 -0.04 0.75 8.31 0.00 -1.26 -4.97 105.19 108.12 1bwm n GLY 315 Ca 0.00 -0.45 -0.05 0.00 0.00 0.00 0.00 46.02 45.52 1bwm n GLY 315 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1bwm n GLU 316 N -2.01 0.23 -3.35 1.61 1.02 -1.26 -4.93 120.64 111.95 1bwm n GLU 316 Ca -0.12 -0.78 -0.21 0.00 -0.02 0.00 0.00 57.16 56.04 1bwm n GLU 316 Cb 0.59 0.60 0.02 0.00 -0.02 0.00 0.00 31.44 32.63 1bwm n GLU 316 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 1bwm s THR 317 N -2.24 2.25 0.04 2.62 -1.32 -1.26 -4.01 115.64 111.73 1bwm s THR 317 Ca 0.08 -1.19 -0.08 0.00 -1.21 0.00 0.00 61.69 59.29 1bwm s THR 317 Cb 0.00 -2.44 0.00 0.00 -1.51 0.00 0.00 72.50 68.55 1bwm s THR 317 CO 0.06 0.00 0.17 -0.89 -2.21 0.00 0.00 174.62 171.75 1bwm s THR 318 N -2.61 0.12 -0.18 5.08 2.01 -0.43 -4.91 115.64 114.72 1bwm s THR 318 Ca 0.51 -0.95 0.00 0.00 0.31 0.00 0.00 61.69 61.56 1bwm s THR 318 Cb -0.05 -0.93 0.04 0.00 0.01 0.00 0.00 72.50 71.58 1bwm s THR 318 CO 0.31 -0.53 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.02 1bwm s ILE 319 N -2.63 1.31 0.42 1.82 1.09 -1.26 -1.66 121.20 120.29 1bwm s ILE 319 Ca -0.05 -0.78 0.02 0.00 -1.10 0.00 0.00 60.65 58.75 1bwm s ILE 319 Cb -0.01 -1.46 -0.00 0.00 -1.06 0.00 0.00 42.46 39.93 1bwm s ILE 319 CO -0.04 0.14 0.62 -0.76 -0.10 0.00 0.00 174.94 174.79 1bwm s LEU 320 N 1.54 3.72 -0.06 2.97 1.02 -0.93 -4.92 118.68 122.02 1bwm s LEU 320 Ca -0.00 0.11 -0.03 0.00 0.02 0.00 0.00 54.13 54.23 1bwm s LEU 320 Cb -0.16 -3.00 0.04 0.00 0.02 0.00 0.00 46.19 43.09 1bwm s LEU 320 CO -0.08 -0.65 0.12 0.21 0.02 0.00 0.00 176.35 175.97 1bwm s ASN 321 N -4.22 0.52 0.26 2.29 2.47 -1.26 -2.47 114.94 112.52 1bwm s ASN 321 Ca 0.48 0.24 0.11 0.00 0.42 0.00 0.00 52.86 54.11 1bwm s ASN 321 Cb -0.10 0.13 -0.05 0.00 -1.45 0.00 0.00 41.25 39.78 1bwm s ASN 321 CO 0.36 -0.21 -0.10 0.00 -3.72 0.00 0.00 177.10 173.43 1bwm s SER 323 N -3.51 3.01 -0.11 0.00 0.15 -0.33 -1.17 113.70 111.75 1bwm s SER 323 Ca 0.30 -1.71 -0.31 0.00 0.70 0.00 0.00 55.95 54.94 1bwm s SER 323 Cb -0.06 0.57 0.12 0.00 -1.71 0.00 0.00 66.02 64.94 1bwm s SER 323 CO 0.17 -0.96 1.01 -0.72 1.20 0.00 0.00 173.24 173.95 1bwm s TYR 324 N -3.15 -0.29 0.00 3.44 1.13 -1.25 -2.65 117.35 114.58 1bwm s TYR 324 Ca 0.20 0.32 0.09 0.00 -1.41 0.00 0.00 57.07 56.27 1bwm s TYR 324 Cb 0.02 0.50 0.15 0.00 -1.10 0.00 0.00 41.96 41.52 1bwm s TYR 324 CO 0.13 -0.38 0.99 -1.91 -2.51 0.00 0.00 175.55 171.87 1bwm n GLU 325 N 0.16 0.00 -2.57 -3.49 2.13 -1.26 -4.97 120.64 110.64 1bwm n GLU 325 Ca -0.07 -1.20 -0.28 0.00 0.66 0.00 0.00 57.16 56.27 1bwm n GLU 325 Cb 0.60 -0.14 -0.00 0.00 0.27 0.00 0.00 31.44 32.16 1bwm n GLU 325 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1bwm s ASP 326 N -1.20 6.30 -0.25 4.31 -1.08 -1.26 -5.00 116.67 118.49 1bwm s ASP 326 Ca 0.12 1.03 0.10 0.00 -0.52 0.00 0.00 52.55 53.27 1bwm s ASP 326 Cb 0.13 -2.29 0.47 0.00 -1.46 0.00 0.00 42.92 39.77 1bwm s ASP 326 CO -0.06 -0.59 1.35 -0.24 0.52 0.00 0.00 175.17 176.16 1bwm n SER 327 N -2.16 2.14 -0.83 -0.34 2.88 -1.26 -4.63 113.62 109.41 1bwm n SER 327 Ca 0.02 -3.83 -0.04 0.00 -1.33 0.00 0.00 58.87 53.69 1bwm n SER 327 Cb 0.55 -0.59 -0.04 0.00 -0.75 0.00 0.00 64.21 63.38 1bwm n SER 327 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1bwm n THR 328 N -1.12 0.00 -2.85 2.46 5.66 -1.26 -5.14 114.28 112.03 1bwm n THR 328 Ca 0.27 -0.02 -0.35 0.00 -3.05 0.00 0.00 64.05 60.90 1bwm n THR 328 Cb 0.88 0.30 -0.07 0.00 -1.55 0.00 0.00 70.33 69.89 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 3.53 -0.23 1.09 -0.12 -1.26 -4.34 117.98 116.65 1bwm s PHE 329 Ca 0.00 1.64 -0.14 0.00 -0.05 0.00 0.00 56.93 58.39 1bwm s PHE 329 Cb 0.01 -2.84 -0.10 0.00 -0.63 0.00 0.00 43.02 39.46 1bwm s PHE 329 CO -0.00 0.10 -0.33 -3.47 -0.05 0.00 0.00 175.22 171.47 1bwm n ASP 330 N 0.08 1.80 -2.98 1.98 -0.08 -1.23 -4.87 116.55 111.24 1bwm n ASP 330 Ca 0.03 0.31 -0.14 0.00 -1.51 0.00 0.00 54.79 53.49 1bwm n ASP 330 Cb 0.52 -0.74 -0.02 0.00 2.34 0.00 0.00 41.12 43.22 1bwm n ASP 330 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1bwm n TYR 331 N -4.19 -1.60 -3.66 -0.67 4.11 -1.26 -4.52 117.16 105.36 1bwm n TYR 331 Ca -0.42 -2.29 -0.30 0.00 -0.00 0.00 0.00 57.90 54.89 1bwm n TYR 331 Cb 0.77 0.61 -0.14 0.00 -0.00 0.00 0.00 39.34 40.58 1bwm n TYR 331 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.86 176.80 1bwm s PHE 332 N -2.80 1.34 -0.59 -3.48 0.40 -1.26 -1.73 117.98 109.87 1bwm s PHE 332 Ca 0.27 -1.61 -0.26 0.00 -0.60 0.00 0.00 56.93 54.73 1bwm s PHE 332 Cb -0.02 -1.48 -0.09 0.00 0.51 0.00 0.00 43.02 41.94 1bwm s PHE 332 CO 0.20 -0.85 2.39 -1.25 0.70 0.00 0.00 175.22 176.41 1bwm s PRO 333 N 1.53 1.96 -1.03 0.24 0.04 -1.24 -3.50 135.00 133.00 1bwm s PRO 333 Ca 0.11 1.09 -0.25 0.00 0.04 0.00 0.00 61.00 62.00 1bwm s PRO 333 Cb -0.18 -4.65 -0.14 0.00 0.04 0.00 0.00 34.50 29.57 1bwm s PRO 333 CO -0.23 -3.63 2.09 -1.58 0.04 0.00 0.00 177.00 173.69 1bwm s TRP 334 N 12.92 1.52 0.61 0.56 0.52 -0.90 -4.35 118.94 129.81 1bwm s TRP 334 Ca 0.95 1.44 -0.10 0.00 0.02 0.00 0.00 56.10 58.41 1bwm s TRP 334 Cb -0.16 -3.66 0.15 0.00 -1.15 0.00 0.00 33.47 28.65 1bwm s TRP 334 CO 0.20 -1.16 0.60 0.66 0.02 0.00 0.00 176.95 177.27 1bwm n TYR 335 N 17.03 -3.59 -3.63 -1.98 4.01 -0.66 -2.68 117.16 125.66 1bwm n TYR 335 Ca 0.43 -0.54 -0.11 0.00 -0.16 0.00 0.00 57.90 57.53 1bwm n TYR 335 Cb 0.46 -0.58 -0.05 0.00 -0.31 0.00 0.00 39.34 38.87 1bwm n TYR 335 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 1bwm s ARG 336 N -4.35 1.06 -0.17 -0.72 3.52 -0.65 -1.79 118.95 115.85 1bwm s ARG 336 Ca 0.38 -0.67 -0.06 0.00 -0.13 0.00 0.00 55.73 55.24 1bwm s ARG 336 Cb -0.03 0.47 0.08 0.00 -1.56 0.00 0.00 34.95 33.91 1bwm s ARG 336 CO 0.28 -0.41 0.36 -1.14 -0.81 0.00 0.00 175.30 173.59 1bwm s GLN 337 N -3.68 0.27 0.51 5.12 0.74 -0.20 -1.58 119.66 120.85 1bwm s GLN 337 Ca 0.02 0.92 -0.01 0.00 0.05 0.00 0.00 55.36 56.34 1bwm s GLN 337 Cb 0.02 0.19 0.01 0.00 1.10 0.00 0.00 33.01 34.32 1bwm s GLN 337 CO -0.11 -0.26 0.76 -0.06 -0.55 0.00 0.00 175.29 175.07 1bwm s PHE 338 N 2.46 3.15 0.13 1.67 0.40 -1.25 -2.13 117.98 122.42 1bwm s PHE 338 Ca -0.01 0.29 -0.17 0.00 -0.60 0.00 0.00 56.93 56.44 1bwm s PHE 338 Cb -0.12 -2.54 -0.02 0.00 0.51 0.00 0.00 43.02 40.86 1bwm s PHE 338 CO -0.11 -0.61 1.73 -1.35 0.70 0.00 0.00 175.22 175.58 1bwm h PRO 339 N 0.16 0.48 0.00 0.24 0.11 -1.92 -3.38 132.00 127.69 1bwm h PRO 339 Ca -0.45 -0.06 -0.21 0.00 0.11 0.00 0.00 66.00 65.39 1bwm h PRO 339 Cb 1.26 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 1bwm h PRO 339 CO 0.57 0.40 -1.73 0.41 -0.21 0.00 0.00 178.00 177.45 1bwm n GLY 340 N -0.96 -0.20 3.63 -0.55 0.00 -1.26 -5.02 105.19 100.83 1bwm n GLY 340 Ca -0.01 -0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 1bwm n GLY 340 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1bwm s LYS 341 N -2.24 0.60 0.58 1.61 2.47 -1.26 -4.99 119.74 116.50 1bwm s LYS 341 Ca -0.18 1.42 -0.08 0.00 -1.56 0.00 0.00 55.97 55.57 1bwm s LYS 341 Cb 0.06 -1.69 -0.02 0.00 -1.46 0.00 0.00 37.83 34.72 1bwm s LYS 341 CO 0.25 -2.88 0.93 -1.12 0.16 0.00 0.00 175.35 172.69 1bwm s SER 342 N -2.62 6.02 0.95 1.43 0.01 -1.26 -3.79 113.70 114.43 1bwm s SER 342 Ca 0.67 1.08 -0.11 0.00 1.31 0.00 0.00 55.95 58.91 1bwm s SER 342 Cb -0.23 -2.18 0.16 0.00 0.21 0.00 0.00 66.02 63.98 1bwm s SER 342 CO 0.59 -0.87 1.11 -2.16 0.41 0.00 0.00 173.24 172.33 1bwm s PRO 343 N -5.02 0.79 -0.16 12.44 0.05 -1.26 -4.38 135.00 137.46 1bwm s PRO 343 Ca 0.53 1.32 -0.23 0.00 0.05 0.00 0.00 61.00 62.67 1bwm s PRO 343 Cb -0.11 -1.72 0.06 0.00 0.05 0.00 0.00 34.50 32.78 1bwm s PRO 343 CO 0.49 -2.72 0.60 0.00 0.05 0.00 0.00 177.00 175.42 1bwm s ALA 344 N -2.66 -1.50 0.15 8.56 0.00 -0.61 -4.34 121.76 121.36 1bwm s ALA 344 Ca 0.66 1.46 -0.30 0.00 0.00 0.00 0.00 51.96 53.78 1bwm s ALA 344 Cb -0.22 -0.62 -0.07 0.00 0.00 0.00 0.00 23.12 22.21 1bwm s ALA 344 CO 0.59 -0.31 1.13 -1.17 0.00 0.00 0.00 175.76 176.00 1bwm s LEU 345 N -0.26 4.46 -0.03 0.00 2.96 -1.26 -1.64 118.68 122.90 1bwm s LEU 345 Ca -0.04 2.09 -0.03 0.00 -0.22 0.00 0.00 54.13 55.93 1bwm s LEU 345 Cb -0.03 -3.60 -0.01 0.00 0.50 0.00 0.00 46.19 43.05 1bwm s LEU 345 CO 0.04 -0.30 -0.06 0.18 -1.32 0.00 0.00 176.35 174.89 1bwm n LEU 346 N 2.71 0.36 0.00 -0.68 4.77 -1.09 -4.89 117.00 118.18 1bwm n LEU 346 Ca 0.04 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 1bwm n LEU 346 Cb 0.46 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 1bwm n LEU 346 CO 0.54 -0.46 0.00 2.30 -1.33 0.00 0.00 177.39 178.44 1bwm n ILE 347 N -2.84 0.00 -3.60 -0.08 -0.00 -1.25 -5.02 119.36 106.57 1bwm n ILE 347 Ca -0.02 0.00 -0.08 0.00 -0.00 0.00 0.00 62.75 62.65 1bwm n ILE 347 Cb 0.09 0.00 -0.09 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 -1.43 -1.26 0.49 -1.28 0.00 -1.26 -2.12 121.76 114.90 1bwm s ALA 348 Ca 0.00 1.51 0.00 0.00 0.00 0.00 0.00 51.96 53.47 1bwm s ALA 348 Cb 0.00 -1.43 0.00 0.00 0.00 0.00 0.00 23.12 21.69 1bwm s ALA 348 CO 0.00 -0.85 0.00 0.44 0.00 0.00 0.00 175.76 175.35 1bwm n ILE 349 N 5.39 0.00 -0.72 0.00 -5.35 -1.23 -4.88 119.36 112.58 1bwm n ILE 349 Ca -0.08 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.40 1bwm n ILE 349 Cb 0.49 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.39 1bwm n ILE 349 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 1bwm n SER 350 N 0.00 0.00 -3.47 7.28 7.64 -1.26 -4.03 113.62 119.78 1bwm n SER 350 Ca 0.00 -0.13 -0.20 0.00 1.01 0.00 0.00 58.87 59.55 1bwm n SER 350 Cb 0.00 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.26 1bwm n SER 350 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1bwm n LEU 351 N 0.00 -4.22 0.00 -3.43 0.00 -1.26 -4.75 117.00 103.33 1bwm n LEU 351 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 56.01 55.23 1bwm n LEU 351 Cb 0.03 -2.91 0.00 0.00 0.00 0.00 0.00 43.42 40.54 1bwm n LEU 351 CO 0.00 0.30 -0.25 0.55 0.00 0.00 0.00 177.39 177.98 1bwm n VAL 352 N -3.82 0.00 -3.94 1.96 3.14 -1.26 -5.07 118.33 109.33 1bwm n VAL 352 Ca -0.17 0.00 -0.28 0.00 -2.96 0.00 0.00 64.34 60.94 1bwm n VAL 352 Cb 0.64 -0.36 -0.03 0.00 -1.06 0.00 0.00 33.84 33.03 1bwm n VAL 352 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 1bwm s SER 353 N -2.89 6.34 0.56 6.55 1.04 -1.26 -4.97 113.70 119.07 1bwm s SER 353 Ca 0.00 0.20 0.28 0.00 0.48 0.00 0.00 55.95 56.91 1bwm s SER 353 Cb 0.00 -1.92 1.47 0.00 0.10 0.00 0.00 66.02 65.67 1bwm s SER 353 CO 0.00 0.09 1.94 0.78 0.98 0.00 0.00 173.24 177.03 1bwm h ASN 354 N 2.43 0.00 -4.25 7.02 4.21 -1.94 -3.42 115.58 119.62 1bwm h ASN 354 Ca -0.47 0.00 -0.04 0.00 1.21 0.00 0.00 56.30 57.00 1bwm h ASN 354 Cb 1.18 0.00 -0.21 0.00 -1.12 0.00 0.00 38.32 38.18 1bwm h ASN 354 CO 0.71 0.00 0.17 -1.59 -1.29 0.00 0.00 177.43 175.43 1bwm s LYS 355 N -4.82 0.88 -0.04 0.81 0.00 -1.26 -2.37 119.74 112.94 1bwm s LYS 355 Ca -0.05 0.76 0.04 0.00 0.00 0.00 0.00 55.97 56.72 1bwm s LYS 355 Cb 0.18 0.43 -0.00 0.00 0.00 0.00 0.00 37.83 38.44 1bwm s LYS 355 CO 0.66 -0.16 -0.15 0.21 0.00 0.00 0.00 175.35 175.90 1bwm s LYS 356 N -0.10 1.54 -0.00 1.78 2.20 -1.06 -4.92 119.74 119.18 1bwm s LYS 356 Ca -0.03 -0.51 0.05 0.00 -0.36 0.00 0.00 55.97 55.11 1bwm s LYS 356 Cb -0.04 -1.36 -0.03 0.00 -1.51 0.00 0.00 37.83 34.90 1bwm s LYS 356 CO 0.03 0.20 -0.14 -2.00 -0.36 0.00 0.00 175.35 173.08 1bwm s GLU 357 N 0.10 2.34 -0.43 4.03 2.12 -1.26 -0.90 118.70 124.69 1bwm s GLU 357 Ca -0.04 -0.82 0.07 0.00 0.36 0.00 0.00 54.97 54.54 1bwm s GLU 357 Cb -0.11 -2.32 0.24 0.00 0.26 0.00 0.00 34.13 32.19 1bwm s GLU 357 CO 0.02 0.58 0.52 -0.25 -0.54 0.00 0.00 175.26 175.59 1bwm n ASP 358 N 1.84 0.59 0.00 -1.70 9.92 -1.08 -4.92 116.55 121.21 1bwm n ASP 358 Ca -0.16 -2.75 0.00 0.00 -0.53 0.00 0.00 54.79 51.35 1bwm n ASP 358 Cb 0.52 -0.63 0.00 0.00 -0.64 0.00 0.00 41.12 40.37 1bwm n ASP 358 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1bwm n GLY 359 N 1.57 2.95 2.08 0.44 0.00 -1.26 -4.64 105.19 106.32 1bwm n GLY 359 Ca 0.23 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.19 1.61 1.74 -1.26 -5.13 116.66 112.43 1bwm n ARG 361 Ca 0.00 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.76 1bwm n ARG 361 Cb 0.00 0.00 0.11 0.00 -1.02 0.00 0.00 32.46 31.55 1bwm n ARG 361 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 1bwm s PHE 362 N -1.36 2.20 0.13 -1.55 -0.12 -1.26 -4.98 117.98 111.03 1bwm s PHE 362 Ca 0.00 1.64 -0.02 0.00 -0.05 0.00 0.00 56.93 58.50 1bwm s PHE 362 Cb 0.00 -3.23 -0.04 0.00 -0.63 0.00 0.00 43.02 39.12 1bwm s PHE 362 CO 0.00 -2.23 0.07 -0.08 -0.05 0.00 0.00 175.22 172.93 1bwm s THR 363 N -2.58 0.10 0.28 -4.49 -1.32 -1.23 -2.63 115.64 103.76 1bwm s THR 363 Ca 0.66 -1.87 0.09 0.00 -1.21 0.00 0.00 61.69 59.35 1bwm s THR 363 Cb -0.21 -2.03 -0.04 0.00 -1.51 0.00 0.00 72.50 68.70 1bwm s THR 363 CO 0.52 -0.45 0.09 0.27 -2.21 0.00 0.00 174.62 172.84 1bwm s ILE 364 N -4.04 3.68 0.21 5.08 -0.00 -0.07 -1.48 121.20 124.57 1bwm s ILE 364 Ca 0.24 -1.71 0.08 0.00 -0.00 0.00 0.00 60.65 59.26 1bwm s ILE 364 Cb 0.07 -3.05 -0.05 0.00 -0.00 0.00 0.00 42.46 39.44 1bwm s ILE 364 CO 0.02 -0.33 -0.16 -0.36 -0.00 0.00 0.00 174.94 174.11 1bwm s PHE 365 N -2.28 1.79 -0.16 1.37 0.40 0.31 -2.56 117.98 116.85 1bwm s PHE 365 Ca 0.33 -0.53 0.01 0.00 -0.60 0.00 0.00 56.93 56.14 1bwm s PHE 365 Cb -0.06 -0.83 0.02 0.00 0.51 0.00 0.00 43.02 42.66 1bwm s PHE 365 CO 0.22 0.39 -0.19 0.12 0.70 0.00 0.00 175.22 176.47 1bwm s PHE 366 N -2.78 2.57 -0.30 0.36 5.36 -1.00 -2.65 117.98 119.54 1bwm s PHE 366 Ca 0.22 -1.47 0.03 0.00 -0.96 0.00 0.00 56.93 54.76 1bwm s PHE 366 Cb -0.02 -1.80 0.08 0.00 -0.34 0.00 0.00 43.02 40.94 1bwm s PHE 366 CO 0.08 -0.73 -0.03 1.21 -1.46 0.00 0.00 175.22 174.29 1bwm s ASN 367 N 1.26 4.59 0.05 6.13 3.84 -0.99 -4.98 114.94 124.83 1bwm s ASN 367 Ca 0.03 -1.77 -0.20 0.00 0.21 0.00 0.00 52.86 51.13 1bwm s ASN 367 Cb -0.13 -1.57 -0.13 0.00 -0.55 0.00 0.00 41.25 38.87 1bwm s ASN 367 CO -0.10 -0.29 1.40 0.11 -2.79 0.00 0.00 177.10 175.43 1bwm h LYS 368 N 7.70 0.35 -0.31 0.43 1.57 -1.96 0.74 116.57 125.09 1bwm h LYS 368 Ca -0.12 -0.15 0.09 0.00 -1.87 0.00 0.00 60.65 58.60 1bwm h LYS 368 Cb 1.03 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.32 1bwm h LYS 368 CO 0.49 0.67 0.39 -0.09 -0.57 0.00 0.00 179.45 180.34 1bwm h ARG 369 N 0.02 0.00 -0.00 3.15 2.43 -1.97 -0.29 114.38 117.72 1bwm h ARG 369 Ca 0.04 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1bwm h ARG 369 Cb 0.56 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 1bwm h ARG 369 CO 0.03 0.00 -0.22 0.39 -1.51 0.00 0.00 179.97 178.65 1bwm n GLU 370 N -3.60 3.34 -2.24 0.20 -0.58 -1.06 -4.98 120.64 111.73 1bwm n GLU 370 Ca 0.05 -0.29 -0.13 0.00 -0.42 0.00 0.00 57.16 56.37 1bwm n GLU 370 Cb 0.54 -0.92 -0.02 0.00 -0.57 0.00 0.00 31.44 30.48 1bwm n GLU 370 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1bwm n LYS 371 N -0.68 -2.01 -4.22 3.49 4.76 0.25 -4.93 118.16 114.83 1bwm n LYS 371 Ca 0.02 0.66 -0.15 0.00 -2.87 0.00 0.00 58.31 55.98 1bwm n LYS 371 Cb 0.13 -5.20 -0.11 0.00 -1.84 0.00 0.00 35.03 28.01 1bwm n LYS 371 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1bwm s LYS 372 N -4.67 0.97 0.07 1.97 1.02 -1.07 -4.36 119.74 113.66 1bwm s LYS 372 Ca 0.00 -1.29 0.06 0.00 0.02 0.00 0.00 55.97 54.76 1bwm s LYS 372 Cb 0.00 -0.65 -0.04 0.00 -0.52 0.00 0.00 37.83 36.62 1bwm s LYS 372 CO 0.00 0.10 -0.11 -0.48 -0.92 0.00 0.00 175.35 173.94 1bwm s LEU 373 N -2.73 2.98 -0.01 3.17 2.34 -0.31 -2.35 118.68 121.76 1bwm s LEU 373 Ca 0.11 -0.34 0.02 0.00 0.06 0.00 0.00 54.13 53.97 1bwm s LEU 373 Cb -0.01 -1.76 0.00 0.00 -0.56 0.00 0.00 46.19 43.86 1bwm s LEU 373 CO 0.01 0.22 -0.06 -0.44 -1.06 0.00 0.00 176.35 175.02 1bwm s SER 374 N -1.86 0.76 0.21 1.48 0.01 -1.08 -0.17 113.70 113.04 1bwm s SER 374 Ca 0.19 -0.11 0.10 0.00 1.31 0.00 0.00 55.95 57.44 1bwm s SER 374 Cb -0.11 -0.17 -0.04 0.00 0.21 0.00 0.00 66.02 65.91 1bwm s SER 374 CO 0.10 0.04 -0.13 -0.22 0.41 0.00 0.00 173.24 173.45 1bwm s LEU 375 N 0.14 2.84 0.03 2.44 0.20 -1.03 0.12 118.68 123.41 1bwm s LEU 375 Ca -0.01 -0.71 0.05 0.00 0.69 0.00 0.00 54.13 54.14 1bwm s LEU 375 Cb -0.06 -1.49 -0.03 0.00 -0.43 0.00 0.00 46.19 44.18 1bwm s LEU 375 CO -0.00 0.08 -0.10 -1.00 -0.29 0.00 0.00 176.35 175.04 1bwm s HIS 376 N -1.91 2.79 -0.12 5.38 3.76 -0.55 -2.19 115.29 122.46 1bwm s HIS 376 Ca 0.26 -0.10 -0.03 0.00 -0.15 0.00 0.00 55.06 55.03 1bwm s HIS 376 Cb -0.08 -1.55 0.05 0.00 1.11 0.00 0.00 32.58 32.11 1bwm s HIS 376 CO 0.15 0.35 0.06 -1.50 -0.85 0.00 0.00 174.74 172.95 1bwm s ILE 377 N -1.01 0.04 0.36 0.60 1.10 -0.67 -3.53 121.20 118.09 1bwm s ILE 377 Ca 0.17 0.00 0.08 0.00 -0.51 0.00 0.00 60.65 60.39 1bwm s ILE 377 Cb -0.11 -0.50 -0.03 0.00 0.15 0.00 0.00 42.46 41.97 1bwm s ILE 377 CO 0.08 -0.07 0.28 0.28 -2.11 0.00 0.00 174.94 173.40 1bwm s THR 378 N 2.09 3.15 -0.46 4.00 -1.32 -1.26 -1.32 115.64 120.52 1bwm s THR 378 Ca 0.03 -1.45 -0.12 0.00 -1.21 0.00 0.00 61.69 58.94 1bwm s THR 378 Cb -0.14 -3.09 0.02 0.00 -1.51 0.00 0.00 72.50 67.78 1bwm s THR 378 CO -0.07 -0.12 0.59 -0.67 -2.21 0.00 0.00 174.62 172.14 1bwm n ASP 379 N -1.36 -7.63 -4.72 8.08 -0.08 -1.26 -4.98 116.55 104.60 1bwm n ASP 379 Ca -0.01 0.41 -0.27 0.00 -1.51 0.00 0.00 54.79 53.41 1bwm n ASP 379 Cb 0.61 -5.16 -0.08 0.00 2.34 0.00 0.00 41.12 38.82 1bwm n ASP 379 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 1bwm s SER 380 N -2.60 4.21 0.21 1.67 0.01 -1.26 -5.07 113.70 110.88 1bwm s SER 380 Ca 0.19 -1.29 0.05 0.00 1.31 0.00 0.00 55.95 56.21 1bwm s SER 380 Cb -0.05 -0.19 -0.05 0.00 0.21 0.00 0.00 66.02 65.93 1bwm s SER 380 CO 0.73 -0.62 -0.07 -1.10 0.41 0.00 0.00 173.24 172.59 1bwm s GLN 381 N -3.87 1.31 0.00 12.44 -0.21 -1.26 -4.48 119.66 123.59 1bwm s GLN 381 Ca 0.32 -1.62 0.00 0.00 0.02 0.00 0.00 55.36 54.08 1bwm s GLN 381 Cb 0.05 -0.84 0.00 0.00 1.00 0.00 0.00 33.01 33.22 1bwm s GLN 381 CO 0.17 0.03 0.00 -2.30 -2.12 0.00 0.00 175.29 171.08 1bwm n PRO 382 N -0.39 1.19 -2.11 2.91 -0.01 -1.26 -3.90 135.00 131.44 1bwm n PRO 382 Ca -0.07 0.00 -0.02 0.00 -0.01 0.00 0.00 63.50 63.40 1bwm n PRO 382 Cb 0.62 0.00 0.01 0.00 -0.01 0.00 0.00 33.50 34.12 1bwm n PRO 382 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 1bwm n GLY 383 N 0.16 0.39 2.17 -1.23 0.00 -1.26 -3.32 105.19 102.10 1bwm n GLY 383 Ca 0.00 -0.36 -0.13 0.00 0.00 0.00 0.00 46.02 45.53 1bwm n GLY 383 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1bwm n ASP 384 N -1.37 -3.63 0.00 1.61 8.00 -1.26 -4.47 116.55 115.43 1bwm n ASP 384 Ca -0.03 0.26 0.00 0.00 0.71 0.00 0.00 54.79 55.73 1bwm n ASP 384 Cb 0.52 -3.26 0.00 0.00 -0.02 0.00 0.00 41.12 38.36 1bwm n ASP 384 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1bwm n SER 385 N -1.02 0.00 0.00 -2.24 7.64 -1.21 -4.11 113.62 112.67 1bwm n SER 385 Ca -0.14 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.74 1bwm n SER 385 Cb 0.50 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 1bwm n SER 385 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1bwm n ALA 386 N 6.53 0.00 -3.40 -0.43 0.00 -1.07 -4.93 120.51 117.21 1bwm n ALA 386 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 1bwm n ALA 386 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.31 1bwm n ALA 386 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1bwm s THR 387 N -2.00 3.58 0.15 0.00 -4.23 -0.91 -1.85 115.64 110.39 1bwm s THR 387 Ca 0.00 -0.44 -0.25 0.00 -1.18 0.00 0.00 61.69 59.82 1bwm s THR 387 Cb 0.00 -2.66 -0.08 0.00 1.34 0.00 0.00 72.50 71.11 1bwm s THR 387 CO 0.00 0.39 0.76 -0.31 -0.54 0.00 0.00 174.62 174.91 1bwm s TYR 388 N 1.51 3.89 -0.15 3.99 2.02 -0.88 -1.03 117.35 126.70 1bwm s TYR 388 Ca 0.06 1.59 -0.03 0.00 -0.37 0.00 0.00 57.07 58.32 1bwm s TYR 388 Cb -0.15 -2.74 -0.03 0.00 -0.40 0.00 0.00 41.96 38.65 1bwm s TYR 388 CO -0.02 0.51 -0.05 -0.06 -1.57 0.00 0.00 175.55 174.37 1bwm s PHE 389 N -1.09 3.00 0.02 2.71 0.40 -0.74 -1.99 117.98 120.29 1bwm s PHE 389 Ca 0.35 -0.34 0.01 0.00 -0.60 0.00 0.00 56.93 56.35 1bwm s PHE 389 Cb -0.23 -1.94 -0.04 0.00 0.51 0.00 0.00 43.02 41.32 1bwm s PHE 389 CO 0.25 -0.06 0.06 0.00 0.70 0.00 0.00 175.22 176.17 1bwm s ALA 391 N -1.22 -1.60 0.23 0.00 0.00 -1.26 -3.03 121.76 114.89 1bwm s ALA 391 Ca 0.24 0.39 0.04 0.00 0.00 0.00 0.00 51.96 52.63 1bwm s ALA 391 Cb -0.12 0.70 -0.05 0.00 0.00 0.00 0.00 23.12 23.65 1bwm s ALA 391 CO 0.15 -0.86 -0.03 0.00 0.00 0.00 0.00 175.76 175.02 1bwm s ALA 392 N -3.51 1.88 0.00 0.00 0.00 -0.15 -3.61 121.76 116.36 1bwm s ALA 392 Ca 0.07 -1.76 0.00 0.00 0.00 0.00 0.00 51.96 50.26 1bwm s ALA 392 Cb -0.02 0.38 0.00 0.00 0.00 0.00 0.00 23.12 23.48 1bwm s ALA 392 CO -0.04 -0.20 0.00 0.25 0.00 0.00 0.00 175.76 175.77 1bwm n THR 393 N -0.43 0.00 0.00 0.00 -2.24 -0.70 -0.80 114.28 110.11 1bwm n THR 393 Ca -0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1bwm n THR 393 Cb 0.63 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.86 1bwm n THR 393 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bwm n GLY 399 N 4.03 1.69 0.00 3.38 0.00 -1.26 -3.51 105.19 109.53 1bwm n GLY 399 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1bwm n GLY 399 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1bwm n SER 400 N 0.00 0.92 -4.76 1.61 7.64 -1.26 -4.85 113.62 112.91 1bwm n SER 400 Ca 0.00 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.50 1bwm n SER 400 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 1bwm n SER 400 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1bwm s PHE 401 N 0.59 3.65 -0.95 1.43 -0.12 -1.26 -4.07 117.98 117.25 1bwm s PHE 401 Ca 0.00 1.10 -0.05 0.00 -0.05 0.00 0.00 56.93 57.93 1bwm s PHE 401 Cb 0.00 -2.56 0.04 0.00 -0.63 0.00 0.00 43.02 39.88 1bwm s PHE 401 CO 0.00 0.34 0.22 0.09 -0.05 0.00 0.00 175.22 175.83 1bwm n ASN 402 N 2.84 -3.06 -4.13 1.98 3.02 -1.26 -4.89 115.26 109.76 1bwm n ASN 402 Ca -0.08 -0.04 -0.36 0.00 -0.03 0.00 0.00 54.58 54.07 1bwm n ASN 402 Cb 0.51 -2.60 -0.12 0.00 -0.61 0.00 0.00 39.78 36.97 1bwm n ASN 402 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1bwm s LYS 403 N -5.53 2.04 -0.25 3.52 2.47 -1.26 -5.06 119.74 115.68 1bwm s LYS 403 Ca 0.20 -1.79 0.02 0.00 -1.56 0.00 0.00 55.97 52.84 1bwm s LYS 403 Cb -0.11 -3.58 0.05 0.00 -1.46 0.00 0.00 37.83 32.73 1bwm s LYS 403 CO 0.25 -1.06 -0.11 -0.51 0.16 0.00 0.00 175.35 174.08 1bwm s LEU 404 N 1.16 3.23 -0.36 5.43 1.43 -1.26 -4.18 118.68 124.12 1bwm s LEU 404 Ca 0.08 -1.19 -0.17 0.00 -1.03 0.00 0.00 54.13 51.82 1bwm s LEU 404 Cb -0.23 -1.57 -0.00 0.00 0.03 0.00 0.00 46.19 44.42 1bwm s LEU 404 CO -0.04 -0.16 0.43 -0.89 0.23 0.00 0.00 176.35 175.93 1bwm s THR 405 N 1.17 5.10 0.45 5.49 2.01 0.02 -4.85 115.64 125.03 1bwm s THR 405 Ca -0.05 0.07 0.03 0.00 0.31 0.00 0.00 61.69 62.05 1bwm s THR 405 Cb -0.18 -3.92 0.01 0.00 0.01 0.00 0.00 72.50 68.42 1bwm s THR 405 CO -0.06 -0.20 0.64 -0.36 -0.69 0.00 0.00 174.62 173.95 1bwm s PHE 406 N 2.18 3.06 -0.35 4.92 0.40 -1.26 -0.98 117.98 125.95 1bwm s PHE 406 Ca 0.14 0.00 0.15 0.00 -0.60 0.00 0.00 56.93 56.62 1bwm s PHE 406 Cb -0.16 -2.37 0.44 0.00 0.51 0.00 0.00 43.02 41.44 1bwm s PHE 406 CO 0.13 -0.43 1.11 0.41 0.70 0.00 0.00 175.22 177.14 1bwm n GLY 407 N -2.03 1.47 2.89 4.36 0.00 -1.17 -4.55 105.19 106.17 1bwm n GLY 407 Ca 0.03 -0.84 -0.00 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.31 -2.86 -1.00 4.61 0.00 -1.26 -3.92 120.51 115.78 1bwm n ALA 408 Ca 0.04 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.94 1bwm n ALA 408 Cb 0.83 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 19.16 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 1.10 -3.49 3.72 0.00 0.00 -1.26 -4.05 105.19 101.21 1bwm n GLY 409 Ca -0.04 -1.22 -0.24 0.00 0.00 0.00 0.00 46.02 44.53 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 -0.41 3.91 -0.12 2.61 2.01 -0.84 -4.81 115.64 117.97 1bwm s THR 410 Ca 0.00 -1.58 -0.03 0.00 0.31 0.00 0.00 61.69 60.39 1bwm s THR 410 Cb 0.00 -3.06 -0.03 0.00 0.01 0.00 0.00 72.50 69.42 1bwm s THR 410 CO 0.00 -0.29 -0.00 -0.13 -0.69 0.00 0.00 174.62 173.51 1bwm s ARG 411 N -3.52 3.38 -0.07 4.92 0.52 -1.26 -2.07 118.95 120.85 1bwm s ARG 411 Ca 0.31 -0.44 0.04 0.00 -0.52 0.00 0.00 55.73 55.12 1bwm s ARG 411 Cb -0.08 -2.90 -0.01 0.00 0.52 0.00 0.00 34.95 32.48 1bwm s ARG 411 CO 0.21 0.48 -0.20 -0.51 0.02 0.00 0.00 175.30 175.30 1bwm s LEU 412 N -0.26 2.35 -0.05 2.53 2.01 -0.77 -0.57 118.68 123.92 1bwm s LEU 412 Ca 0.06 -0.41 -0.02 0.00 0.01 0.00 0.00 54.13 53.77 1bwm s LEU 412 Cb -0.12 -1.47 0.04 0.00 0.01 0.00 0.00 46.19 44.65 1bwm s LEU 412 CO 0.02 0.24 0.09 0.00 1.01 0.00 0.00 176.35 177.72 1bwm s ALA 413 N -0.15 0.06 0.89 4.21 0.00 -0.54 -2.60 121.76 123.63 1bwm s ALA 413 Ca -0.03 0.35 -0.10 0.00 0.00 0.00 0.00 51.96 52.18 1bwm s ALA 413 Cb -0.14 -0.63 0.13 0.00 0.00 0.00 0.00 23.12 22.48 1bwm s ALA 413 CO 0.04 -0.45 1.15 0.14 0.00 0.00 0.00 175.76 176.64 1bwm s VAL 414 N 2.03 2.14 1.00 0.00 -7.23 -1.26 -0.78 120.40 116.31 1bwm s VAL 414 Ca 0.02 0.05 -0.16 0.00 -1.81 0.00 0.00 61.98 60.08 1bwm s VAL 414 Cb -0.12 -2.14 0.01 0.00 0.56 0.00 0.00 36.38 34.69 1bwm s VAL 414 CO -0.04 -0.06 -0.04 -1.54 -0.31 0.00 0.00 175.10 173.11 1bwm n SER 415 N -4.09 -2.90 -4.54 4.85 3.41 0.36 -4.62 113.62 106.09 1bwm n SER 415 Ca 0.12 0.17 -0.29 0.00 -0.26 0.00 0.00 58.87 58.61 1bwm n SER 415 Cb 0.52 -1.02 0.23 0.00 -0.26 0.00 0.00 64.21 63.68 1bwm n SER 415 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1bwm s PRO 416 N -3.20 -0.40 0.00 4.33 0.04 -1.26 -4.85 135.00 129.66 1bwm s PRO 416 Ca 0.52 1.06 0.00 0.00 0.04 0.00 0.00 61.00 62.63 1bwm s PRO 416 Cb -0.16 -1.60 0.00 0.00 0.04 0.00 0.00 34.50 32.78 1bwm s PRO 416 CO 0.70 -3.44 0.00 0.98 0.04 0.00 0.00 177.00 175.28