#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 2.74 -2.95 0.00 3.14 -1.26 -4.53 118.33 115.47 1bwm n VAL 4 Ca 0.00 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.88 1bwm n VAL 4 Cb 0.00 -1.45 0.00 0.00 -1.06 0.00 0.00 33.84 31.33 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 -0.47 0.00 -3.66 1.55 -2.24 -1.09 -4.51 114.28 103.86 1bwm n THR 5 Ca 0.08 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.77 1bwm n THR 5 Cb 0.40 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.61 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 0.47 1.52 -0.45 -0.78 -0.44 -1.23 -2.73 119.66 116.02 1bwm s GLN 6 Ca 0.00 -0.76 -0.36 0.00 -2.50 0.00 0.00 55.36 51.74 1bwm s GLN 6 Cb 0.00 0.59 -0.14 0.00 -1.64 0.00 0.00 33.01 31.82 1bwm s GLN 6 CO 0.00 -0.68 2.25 0.45 0.50 0.00 0.00 175.29 177.81 1bwm n SER 7 N -0.41 1.70 -2.91 6.67 2.88 0.83 -4.84 113.62 117.54 1bwm n SER 7 Ca -0.10 0.37 -0.00 0.00 -1.33 0.00 0.00 58.87 57.81 1bwm n SER 7 Cb 0.62 -1.18 0.00 0.00 -0.75 0.00 0.00 64.21 62.90 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 8.15 -1.84 0.00 -1.46 -0.05 -1.26 -4.82 135.00 133.73 1bwm n PRO 8 Ca 0.46 -0.01 0.00 0.00 -0.05 0.00 0.00 63.50 63.90 1bwm n PRO 8 Cb 0.18 -0.02 0.00 0.00 -0.05 0.00 0.00 33.50 33.61 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 -1.94 0.00 -4.09 0.54 0.63 -1.26 -4.85 116.66 105.69 1bwm n ARG 9 Ca 0.00 0.00 -0.15 0.00 -0.92 0.00 0.00 57.85 56.79 1bwm n ARG 9 Cb 0.01 0.00 -0.14 0.00 0.45 0.00 0.00 32.46 32.78 1bwm n ARG 9 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 1bwm s ASN 10 N -4.00 0.53 -0.12 6.15 3.84 -1.26 -5.03 114.94 115.05 1bwm s ASN 10 Ca 0.00 -0.16 -0.06 0.00 0.21 0.00 0.00 52.86 52.85 1bwm s ASN 10 Cb 0.00 -0.04 0.05 0.00 -0.55 0.00 0.00 41.25 40.71 1bwm s ASN 10 CO 0.00 0.00 0.27 -0.54 -2.79 0.00 0.00 177.10 174.04 1bwm s LYS 11 N -0.36 0.23 0.25 0.43 1.02 -1.26 -5.16 119.74 114.89 1bwm s LYS 11 Ca -0.01 0.59 0.08 0.00 0.02 0.00 0.00 55.97 56.64 1bwm s LYS 11 Cb -0.03 -0.10 -0.04 0.00 -0.52 0.00 0.00 37.83 37.14 1bwm s LYS 11 CO -0.00 -0.17 0.14 0.08 -0.92 0.00 0.00 175.35 174.47 1bwm s VAL 12 N 1.37 4.17 0.33 3.17 1.01 -1.26 -4.73 120.40 124.46 1bwm s VAL 12 Ca -0.09 -1.53 0.10 0.00 0.00 0.00 0.00 61.98 60.46 1bwm s VAL 12 Cb -0.10 -3.24 -0.06 0.00 0.00 0.00 0.00 36.38 32.97 1bwm s VAL 12 CO -0.09 -0.34 -0.11 0.00 0.00 0.00 0.00 175.10 174.55 1bwm s ALA 13 N -2.16 2.87 0.56 5.51 0.00 -0.82 -5.00 121.76 122.72 1bwm s ALA 13 Ca 0.32 -2.04 0.08 0.00 0.00 0.00 0.00 51.96 50.32 1bwm s ALA 13 Cb -0.08 -0.07 0.06 0.00 0.00 0.00 0.00 23.12 23.04 1bwm s ALA 13 CO 0.23 0.11 0.60 0.14 0.00 0.00 0.00 175.76 176.84 1bwm s VAL 14 N -2.62 1.92 -0.47 0.00 -7.23 -1.26 -1.17 120.40 109.57 1bwm s VAL 14 Ca 0.32 -1.24 -0.43 0.00 -1.81 0.00 0.00 61.98 58.81 1bwm s VAL 14 Cb 0.01 -2.16 -0.18 0.00 0.56 0.00 0.00 36.38 34.61 1bwm s VAL 14 CO 0.16 0.00 2.04 0.41 -0.31 0.00 0.00 175.10 177.40 1bwm n THR 15 N -2.00 0.03 -3.59 5.32 -1.04 -1.25 -0.23 114.28 111.52 1bwm n THR 15 Ca 0.07 -0.03 -0.24 0.00 -2.04 0.00 0.00 64.05 61.81 1bwm n THR 15 Cb 0.63 -0.66 0.05 0.00 -1.82 0.00 0.00 70.33 68.53 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 6.67 -0.76 0.00 3.41 0.00 0.25 -4.93 105.19 109.83 1bwm n GLY 16 Ca 0.48 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.86 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 -1.54 -0.14 3.61 -0.02 0.00 0.68 -4.75 105.19 103.02 1bwm n GLY 17 Ca -0.17 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 0.00 0.24 -0.08 1.61 2.20 -1.26 -4.69 119.74 117.76 1bwm s LYS 18 Ca 0.00 -0.12 -0.03 0.00 -0.36 0.00 0.00 55.97 55.46 1bwm s LYS 18 Cb 0.00 0.09 0.04 0.00 -1.51 0.00 0.00 37.83 36.45 1bwm s LYS 18 CO 0.00 -0.11 0.06 0.08 -0.36 0.00 0.00 175.35 175.02 1bwm s VAL 19 N -2.29 -0.04 -0.29 4.02 1.01 -1.07 -4.59 120.40 117.15 1bwm s VAL 19 Ca 0.12 0.21 -0.08 0.00 0.00 0.00 0.00 61.98 62.23 1bwm s VAL 19 Cb 0.03 -0.33 -0.01 0.00 0.00 0.00 0.00 36.38 36.07 1bwm s VAL 19 CO -0.04 0.05 0.11 -0.89 0.00 0.00 0.00 175.10 174.32 1bwm s THR 20 N 2.13 4.35 -0.13 3.92 2.01 -1.26 -2.32 115.64 124.33 1bwm s THR 20 Ca 0.04 -0.43 -0.01 0.00 0.31 0.00 0.00 61.69 61.60 1bwm s THR 20 Cb -0.13 -3.17 0.04 0.00 0.01 0.00 0.00 72.50 69.24 1bwm s THR 20 CO -0.05 0.15 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.26 1bwm s LEU 21 N 1.58 1.05 -0.28 4.42 1.43 -1.02 -4.87 118.68 121.00 1bwm s LEU 21 Ca 0.05 -0.45 -0.05 0.00 -1.03 0.00 0.00 54.13 52.65 1bwm s LEU 21 Cb -0.17 -0.64 0.02 0.00 0.03 0.00 0.00 46.19 45.44 1bwm s LEU 21 CO 0.04 -0.22 0.03 -0.44 0.23 0.00 0.00 176.35 175.99 1bwm s SER 22 N 1.83 4.83 -0.04 2.29 0.01 -1.26 -2.10 113.70 119.26 1bwm s SER 22 Ca 0.02 -0.81 0.05 0.00 1.31 0.00 0.00 55.95 56.52 1bwm s SER 22 Cb -0.14 -1.79 -0.02 0.00 0.21 0.00 0.00 66.02 64.27 1bwm s SER 22 CO -0.07 -0.18 -0.17 0.00 0.41 0.00 0.00 173.24 173.23 1bwm s ASN 24 N -0.74 4.79 -0.18 0.00 0.02 -1.11 -1.08 114.94 116.65 1bwm s ASN 24 Ca 0.11 -1.00 -0.10 0.00 -1.02 0.00 0.00 52.86 50.85 1bwm s ASN 24 Cb -0.10 -0.13 0.06 0.00 0.02 0.00 0.00 41.25 41.10 1bwm s ASN 24 CO 0.00 -0.85 0.43 -1.58 0.02 0.00 0.00 177.10 175.13 1bwm s GLN 25 N -4.18 0.42 -0.31 -0.60 -0.44 0.17 -2.67 119.66 112.05 1bwm s GLN 25 Ca 0.42 0.81 0.02 0.00 -2.50 0.00 0.00 55.36 54.12 1bwm s GLN 25 Cb -0.02 0.00 0.13 0.00 -1.64 0.00 0.00 33.01 31.48 1bwm s GLN 25 CO 0.25 -0.15 1.16 -2.37 0.50 0.00 0.00 175.29 174.67 1bwm n THR 26 N 4.19 0.00 -1.30 -0.34 5.66 -1.26 -4.26 114.28 116.97 1bwm n THR 26 Ca -0.23 -0.60 -0.05 0.00 -3.05 0.00 0.00 64.05 60.12 1bwm n THR 26 Cb 0.56 0.70 0.22 0.00 -1.55 0.00 0.00 70.33 70.26 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 -0.21 3.11 -2.23 1.09 3.02 -1.26 -4.38 115.26 114.41 1bwm n ASN 27 Ca -0.22 -3.56 -0.14 0.00 -0.03 0.00 0.00 54.58 50.62 1bwm n ASN 27 Cb 0.67 -0.66 0.04 0.00 -0.61 0.00 0.00 39.78 39.23 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 -0.94 -4.59 -3.76 6.41 5.15 -1.26 -4.72 115.26 111.54 1bwm n ASN 28 Ca 0.36 -0.27 -0.15 0.00 -0.60 0.00 0.00 54.58 53.91 1bwm n ASN 28 Cb 1.13 -3.29 -0.16 0.00 -0.53 0.00 0.00 39.78 36.93 1bwm n ASN 28 CO 0.00 0.00 0.00 -2.28 1.40 0.00 0.00 177.26 176.38 1bwm s HIS 29 N -3.09 0.02 -2.02 1.20 2.46 -1.26 -4.12 115.29 108.47 1bwm s HIS 29 Ca 0.29 0.17 0.08 0.00 0.47 0.00 0.00 55.06 56.08 1bwm s HIS 29 Cb -0.13 -0.25 0.28 0.00 -0.13 0.00 0.00 32.58 32.35 1bwm s HIS 29 CO 0.36 -0.11 1.21 -1.71 -2.47 0.00 0.00 174.74 172.03 1bwm n ASN 30 N 4.30 0.93 -3.98 9.88 2.85 -1.26 -4.70 115.26 123.28 1bwm n ASN 30 Ca -0.25 -1.93 -0.30 0.00 -0.11 0.00 0.00 54.58 51.98 1bwm n ASN 30 Cb 0.50 -0.11 -0.16 0.00 1.24 0.00 0.00 39.78 41.25 1bwm n ASN 30 CO 0.00 0.00 0.00 0.20 -2.11 0.00 0.00 177.26 175.35 1bwm s ASN 31 N -1.09 3.32 -0.26 1.20 -0.87 -1.26 -4.07 114.94 111.91 1bwm s ASN 31 Ca 0.15 -0.86 -0.02 0.00 -1.57 0.00 0.00 52.86 50.56 1bwm s ASN 31 Cb 0.08 -1.18 0.03 0.00 -0.02 0.00 0.00 41.25 40.15 1bwm s ASN 31 CO 0.11 -0.15 -0.05 -0.32 -2.57 0.00 0.00 177.10 174.11 1bwm s MET 32 N 1.43 2.78 0.21 -0.60 1.75 -0.27 -4.04 119.30 120.56 1bwm s MET 32 Ca -0.01 -1.02 -0.06 0.00 -1.25 0.00 0.00 55.69 53.35 1bwm s MET 32 Cb -0.16 -3.02 -0.06 0.00 2.84 0.00 0.00 34.83 34.43 1bwm s MET 32 CO -0.08 -0.43 0.48 0.71 -0.65 0.00 0.00 175.02 175.04 1bwm s TYR 33 N 1.32 3.46 -0.18 4.11 2.02 -0.34 -2.56 117.35 125.18 1bwm s TYR 33 Ca -0.01 0.68 -0.00 0.00 -0.37 0.00 0.00 57.07 57.37 1bwm s TYR 33 Cb -0.17 -2.11 0.04 0.00 -0.40 0.00 0.00 41.96 39.32 1bwm s TYR 33 CO -0.04 0.31 -0.06 -0.46 -1.57 0.00 0.00 175.55 173.74 1bwm s TRP 34 N -1.82 1.84 0.31 2.71 -0.00 -0.97 -1.34 118.94 119.66 1bwm s TRP 34 Ca 0.44 -1.20 0.06 0.00 -0.00 0.00 0.00 56.10 55.41 1bwm s TRP 34 Cb -0.11 -1.37 -0.06 0.00 -0.00 0.00 0.00 33.47 31.92 1bwm s TRP 34 CO 0.25 -0.65 -0.03 0.71 -0.00 0.00 0.00 176.95 177.23 1bwm s TYR 35 N 1.59 2.05 0.05 5.86 2.02 -1.09 -2.59 117.35 125.22 1bwm s TYR 35 Ca 0.00 -0.73 0.02 0.00 -0.37 0.00 0.00 57.07 55.99 1bwm s TYR 35 Cb -0.16 -1.24 -0.03 0.00 -0.40 0.00 0.00 41.96 40.14 1bwm s TYR 35 CO -0.08 0.26 -0.08 -0.98 -1.57 0.00 0.00 175.55 173.11 1bwm s ARG 36 N -3.75 0.57 -0.02 -0.62 1.70 -0.34 -2.57 118.95 113.92 1bwm s ARG 36 Ca 0.32 -0.82 -0.01 0.00 -0.47 0.00 0.00 55.73 54.74 1bwm s ARG 36 Cb 0.05 -0.32 -0.04 0.00 -0.57 0.00 0.00 34.95 34.08 1bwm s ARG 36 CO 0.14 0.05 0.10 -1.14 -1.08 0.00 0.00 175.30 173.37 1bwm s GLN 37 N -1.79 3.15 0.00 3.89 0.74 -0.50 -0.84 119.66 124.31 1bwm s GLN 37 Ca -0.08 -0.43 0.00 0.00 0.05 0.00 0.00 55.36 54.91 1bwm s GLN 37 Cb -0.09 -2.92 0.00 0.00 1.10 0.00 0.00 33.01 31.10 1bwm s GLN 37 CO 0.00 0.66 0.00 -0.25 -0.55 0.00 0.00 175.29 175.15 1bwm n ASP 38 N 1.25 0.00 -1.15 6.67 9.92 -1.26 -1.84 116.55 130.14 1bwm n ASP 38 Ca -0.13 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.13 1bwm n ASP 38 Cb 0.53 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.01 1bwm n ASP 38 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 1bwm n THR 39 N -1.30 0.00 -0.04 -3.53 -1.04 -1.26 -4.88 114.28 102.23 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 0.00 0.64 0.00 -1.82 0.00 0.00 70.33 69.15 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 0.19 0.00 3.41 0.00 -2.02 -3.37 103.07 101.29 1bwm h GLY 40 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.28 1bwm h GLY 40 CO 0.00 0.02 -0.08 1.42 0.00 0.00 0.00 176.54 177.90 1bwm n HIS 41 N -4.41 -1.09 0.00 5.60 8.25 -1.26 -5.03 115.22 117.28 1bwm n HIS 41 Ca 0.11 0.19 0.00 0.00 -0.26 0.00 0.00 57.72 57.76 1bwm n HIS 41 Cb 0.57 0.29 0.00 0.00 1.12 0.00 0.00 29.99 31.97 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 2.48 0.37 2.24 -1.41 0.00 -1.26 -4.06 105.19 103.56 1bwm n GLY 42 Ca 0.00 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.55 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 -6.36 -3.96 0.99 -0.00 -1.06 -4.59 117.00 102.01 1bwm n LEU 43 Ca 0.00 2.83 -0.09 0.00 -0.00 0.00 0.00 56.01 58.75 1bwm n LEU 43 Cb 0.00 -3.15 -0.10 0.00 -0.00 0.00 0.00 43.42 40.18 1bwm n LEU 43 CO 0.00 -2.58 -0.26 -0.13 -0.00 0.00 0.00 177.39 174.42 1bwm s ARG 44 N -0.69 0.56 0.17 1.96 1.81 -0.02 -4.90 118.95 117.85 1bwm s ARG 44 Ca 0.00 -0.82 -0.10 0.00 -1.72 0.00 0.00 55.73 53.09 1bwm s ARG 44 Cb 0.00 0.21 -0.07 0.00 -0.45 0.00 0.00 34.95 34.64 1bwm s ARG 44 CO 0.00 -0.13 0.49 -1.17 -0.68 0.00 0.00 175.30 173.82 1bwm s LEU 45 N -2.19 4.24 0.07 2.53 2.96 -1.26 -1.20 118.68 123.83 1bwm s LEU 45 Ca -0.04 0.87 0.00 0.00 -0.22 0.00 0.00 54.13 54.73 1bwm s LEU 45 Cb -0.01 -3.43 0.00 0.00 0.50 0.00 0.00 46.19 43.25 1bwm s LEU 45 CO -0.05 0.02 0.00 2.30 -1.32 0.00 0.00 176.35 177.30 1bwm n ILE 46 N 0.24 0.00 -4.17 6.68 -0.00 -1.07 -2.65 119.36 118.39 1bwm n ILE 46 Ca -0.02 0.00 -0.24 0.00 -0.00 0.00 0.00 62.75 62.49 1bwm n ILE 46 Cb 0.52 -0.09 -0.06 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 -1.20 2.98 -0.33 4.28 3.76 -1.24 -1.65 115.29 121.89 1bwm s HIS 47 Ca 0.00 -0.13 0.06 0.00 -0.15 0.00 0.00 55.06 54.84 1bwm s HIS 47 Cb 0.00 -1.37 0.19 0.00 1.11 0.00 0.00 32.58 32.51 1bwm s HIS 47 CO 0.00 0.54 0.56 -0.47 -0.85 0.00 0.00 174.74 174.52 1bwm s TYR 48 N -2.05 -1.60 -0.09 1.40 5.04 -1.26 -2.29 117.35 116.49 1bwm s TYR 48 Ca 0.31 0.63 0.03 0.00 -2.44 0.00 0.00 57.07 55.61 1bwm s TYR 48 Cb -0.08 0.20 -0.01 0.00 0.35 0.00 0.00 41.96 42.42 1bwm s TYR 48 CO 0.22 -1.09 -0.20 -1.54 -1.34 0.00 0.00 175.55 171.60 1bwm s SER 49 N 2.44 3.42 0.00 4.32 1.04 -1.06 -4.09 113.70 119.78 1bwm s SER 49 Ca 0.12 -0.45 0.00 0.00 0.48 0.00 0.00 55.95 56.10 1bwm s SER 49 Cb -0.09 -1.25 0.00 0.00 0.10 0.00 0.00 66.02 64.78 1bwm s SER 49 CO -0.20 0.20 0.00 0.00 0.98 0.00 0.00 173.24 174.22 1bwm n TYR 50 N 3.24 0.00 -0.94 5.02 4.11 -1.26 -1.11 117.16 126.22 1bwm n TYR 50 Ca -0.18 0.00 -0.01 0.00 -0.00 0.00 0.00 57.90 57.71 1bwm n TYR 50 Cb 0.53 0.00 0.34 0.00 -0.00 0.00 0.00 39.34 40.21 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 1.45 3.34 1.80 -7.48 0.00 -1.26 -4.44 105.19 98.60 1bwm n GLY 51 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.08 1bwm n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bwm n ALA 52 N 0.17 -2.09 -3.35 4.61 0.00 -1.26 -4.76 120.51 113.83 1bwm n ALA 52 Ca 0.35 0.46 -0.18 0.00 0.00 0.00 0.00 53.44 54.07 1bwm n ALA 52 Cb 1.30 -1.41 0.05 0.00 0.00 0.00 0.00 19.45 19.40 1bwm n ALA 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bwm n GLY 53 N 0.62 -1.14 1.52 0.00 0.00 0.32 -4.92 105.19 101.59 1bwm n GLY 53 Ca 0.00 0.54 -0.03 0.00 0.00 0.00 0.00 46.02 46.53 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 -2.91 -0.78 -4.83 1.61 2.88 -1.26 -4.98 113.62 103.34 1bwm n SER 54 Ca -0.07 -1.51 -0.37 0.00 -1.33 0.00 0.00 58.87 55.59 1bwm n SER 54 Cb 0.60 0.31 -0.06 0.00 -0.75 0.00 0.00 64.21 64.31 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 0.04 4.84 0.00 2.46 -1.32 -1.26 -4.68 115.64 115.72 1bwm s THR 55 Ca 0.03 0.96 0.00 0.00 -1.21 0.00 0.00 61.69 61.47 1bwm s THR 55 Cb 0.14 -3.79 0.00 0.00 -1.51 0.00 0.00 72.50 67.34 1bwm s THR 55 CO -0.04 0.39 0.00 -1.84 -2.21 0.00 0.00 174.62 170.92 1bwm n GLU 56 N 1.24 0.00 -0.73 7.08 0.28 -1.26 -4.93 120.64 122.32 1bwm n GLU 56 Ca -0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.92 1bwm n GLU 56 Cb 0.51 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.38 1bwm n GLU 56 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1bwm n LYS 57 N 0.00 2.08 0.00 3.44 4.76 -1.18 -4.94 118.16 122.31 1bwm n LYS 57 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1bwm n LYS 57 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 1bwm n LYS 57 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1bwm n GLY 58 N 3.17 3.32 0.07 0.72 0.00 -0.66 -4.54 105.19 107.27 1bwm n GLY 58 Ca 0.00 -1.05 -0.08 0.00 0.00 0.00 0.00 46.02 44.89 1bwm n GLY 58 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1bwm h ASP 59 N 0.00 0.02 -1.66 1.61 3.58 -1.83 -3.39 116.42 114.75 1bwm h ASP 59 Ca 0.00 -0.03 -0.48 0.00 0.42 0.00 0.00 57.03 56.95 1bwm h ASP 59 Cb 0.00 -0.01 -0.41 0.00 1.72 0.00 0.00 39.33 40.64 1bwm h ASP 59 CO 0.00 1.02 -1.04 2.30 -2.88 0.00 0.00 179.24 178.65 1bwm n ILE 60 N -3.23 1.12 -0.83 2.25 -6.64 -1.26 -4.74 119.36 106.04 1bwm n ILE 60 Ca -0.08 -4.32 -0.32 0.00 -1.77 0.00 0.00 62.75 56.26 1bwm n ILE 60 Cb 0.99 -0.30 0.15 0.00 -1.44 0.00 0.00 39.64 39.04 1bwm n ILE 60 CO 0.00 0.00 0.00 -0.81 -1.77 0.00 0.00 176.55 173.97 1bwm n PRO 61 N -0.03 -0.23 -2.70 6.28 -0.04 -1.26 -5.00 135.00 132.02 1bwm n PRO 61 Ca 0.23 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.63 1bwm n PRO 61 Cb 0.67 -2.32 0.08 0.00 -0.04 0.00 0.00 33.50 31.88 1bwm n PRO 61 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1bwm n ASP 62 N -3.52 -1.89 -1.24 3.54 -0.08 -1.26 -5.05 116.55 107.06 1bwm n ASP 62 Ca 0.12 -2.52 0.00 0.00 -1.51 0.00 0.00 54.79 50.88 1bwm n ASP 62 Cb 0.52 1.31 0.00 0.00 2.34 0.00 0.00 41.12 45.28 1bwm n ASP 62 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1bwm n GLY 63 N 1.15 -0.60 3.30 0.27 0.00 -1.26 -4.85 105.19 103.21 1bwm n GLY 63 Ca 0.03 -0.21 -0.09 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.76 0.45 -0.08 1.61 1.13 -1.26 -4.06 117.35 114.38 1bwm s TYR 65 Ca 0.00 -0.82 -0.01 0.00 -1.41 0.00 0.00 57.07 54.82 1bwm s TYR 65 Cb 0.00 -0.12 0.03 0.00 -1.10 0.00 0.00 41.96 40.77 1bwm s TYR 65 CO 0.00 -0.68 0.01 0.21 -2.51 0.00 0.00 175.55 172.58 1bwm s LYS 66 N -3.97 0.55 0.14 -3.49 2.47 0.30 -4.95 119.74 110.79 1bwm s LYS 66 Ca 0.17 0.11 0.06 0.00 -1.56 0.00 0.00 55.97 54.74 1bwm s LYS 66 Cb 0.04 -0.99 -0.04 0.00 -1.46 0.00 0.00 37.83 35.38 1bwm s LYS 66 CO -0.01 -0.32 -0.12 0.00 0.16 0.00 0.00 175.35 175.06 1bwm s ALA 67 N 1.99 1.55 -0.20 3.13 0.00 -1.26 0.96 121.76 127.93 1bwm s ALA 67 Ca 0.05 -1.43 -0.28 0.00 0.00 0.00 0.00 51.96 50.30 1bwm s ALA 67 Cb -0.12 -0.03 0.12 0.00 0.00 0.00 0.00 23.12 23.09 1bwm s ALA 67 CO -0.05 0.01 0.96 -1.12 0.00 0.00 0.00 175.76 175.56 1bwm s SER 68 N -2.88 -0.45 -0.60 0.00 0.01 -0.92 -4.97 113.70 103.88 1bwm s SER 68 Ca 0.14 0.67 0.05 0.00 1.31 0.00 0.00 55.95 58.12 1bwm s SER 68 Cb -0.01 0.61 0.19 0.00 0.21 0.00 0.00 66.02 67.02 1bwm s SER 68 CO 0.03 -0.30 0.52 -1.14 0.41 0.00 0.00 173.24 172.76 1bwm n ARG 69 N 1.41 1.51 -0.35 12.44 3.00 -1.26 -2.68 116.66 130.74 1bwm n ARG 69 Ca -0.12 -4.13 0.01 0.00 -0.00 0.00 0.00 57.85 53.61 1bwm n ARG 69 Cb 0.57 -2.05 0.15 0.00 0.00 0.00 0.00 32.46 31.13 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 5.07 1.10 -5.22 -0.14 0.13 -1.96 0.92 132.00 131.90 1bwm h PRO 70 Ca 0.18 -0.07 -0.40 0.00 -0.87 0.00 0.00 66.00 64.85 1bwm h PRO 70 Cb 0.78 -0.25 -0.22 0.00 0.13 0.00 0.00 31.00 31.44 1bwm h PRO 70 CO 0.64 0.73 -0.77 -1.12 -0.23 0.00 0.00 178.00 177.25 1bwm s SER 71 N -5.89 1.55 0.59 1.44 0.01 -1.15 -4.59 113.70 105.65 1bwm s SER 71 Ca -0.13 -0.58 0.32 0.00 1.31 0.00 0.00 55.95 56.88 1bwm s SER 71 Cb 0.19 -0.05 1.84 0.00 0.21 0.00 0.00 66.02 68.21 1bwm s SER 71 CO 0.81 -0.08 2.22 -0.61 0.41 0.00 0.00 173.24 175.99 1bwm h GLN 72 N 4.43 0.00 0.00 12.44 -0.00 -1.92 -2.04 115.11 128.03 1bwm h GLN 72 Ca -0.40 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.25 1bwm h GLN 72 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.67 1bwm h GLN 72 CO 0.41 0.03 -1.85 0.39 0.00 0.00 0.00 178.83 177.82 1bwm n GLU 73 N -3.60 0.63 -4.36 1.69 4.71 -1.26 -4.62 120.64 113.83 1bwm n GLU 73 Ca -0.03 -0.15 -0.34 0.00 -0.01 0.00 0.00 57.16 56.63 1bwm n GLU 73 Cb 0.13 -1.56 -0.15 0.00 -1.01 0.00 0.00 31.44 28.86 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 -4.58 3.93 0.03 1.62 3.84 -0.76 0.44 114.94 119.46 1bwm s ASN 74 Ca -0.07 -0.41 0.02 0.00 0.21 0.00 0.00 52.86 52.61 1bwm s ASN 74 Cb 0.14 -1.63 -0.02 0.00 -0.55 0.00 0.00 41.25 39.19 1bwm s ASN 74 CO 0.89 0.07 -0.06 0.12 -2.79 0.00 0.00 177.10 175.33 1bwm s PHE 75 N 0.92 0.55 -0.17 0.43 5.36 -0.24 -2.93 117.98 121.91 1bwm s PHE 75 Ca -0.02 -0.40 -0.22 0.00 -0.96 0.00 0.00 56.93 55.32 1bwm s PHE 75 Cb -0.15 -0.34 0.06 0.00 -0.34 0.00 0.00 43.02 42.25 1bwm s PHE 75 CO -0.01 -0.08 0.57 -1.12 -1.46 0.00 0.00 175.22 173.13 1bwm s SER 76 N -1.22 -0.58 0.02 6.13 0.01 -1.09 -1.20 113.70 115.77 1bwm s SER 76 Ca -0.08 0.98 -0.16 0.00 1.31 0.00 0.00 55.95 58.00 1bwm s SER 76 Cb -0.08 0.98 0.03 0.00 0.21 0.00 0.00 66.02 67.16 1bwm s SER 76 CO 0.00 -0.30 0.35 -1.48 0.41 0.00 0.00 173.24 172.22 1bwm s LEU 77 N -0.14 0.68 0.00 2.44 0.05 -0.89 -2.16 118.68 118.65 1bwm s LEU 77 Ca -0.03 -0.02 0.03 0.00 0.05 0.00 0.00 54.13 54.16 1bwm s LEU 77 Cb -0.03 1.48 -0.01 0.00 -2.05 0.00 0.00 46.19 45.58 1bwm s LEU 77 CO 0.03 -0.58 0.28 2.30 -0.55 0.00 0.00 176.35 177.83 1bwm n ILE 78 N 0.78 0.00 -4.16 1.48 -0.00 0.27 -2.44 119.36 115.30 1bwm n ILE 78 Ca -0.19 -1.66 -0.10 0.00 -0.00 0.00 0.00 62.75 60.79 1bwm n ILE 78 Cb 0.58 0.90 -0.10 0.00 -0.00 0.00 0.00 39.64 41.02 1bwm n ILE 78 CO 0.00 0.00 0.00 -0.76 -0.00 0.00 0.00 176.55 175.79 1bwm s LEU 79 N 0.00 1.93 0.00 7.28 1.02 -0.98 0.11 118.68 128.04 1bwm s LEU 79 Ca 0.27 -1.18 0.16 0.00 0.02 0.00 0.00 54.13 53.41 1bwm s LEU 79 Cb 0.01 0.22 0.26 0.00 0.02 0.00 0.00 46.19 46.70 1bwm s LEU 79 CO 0.19 -0.68 1.09 -0.62 0.02 0.00 0.00 176.35 176.35 1bwm n GLU 80 N -0.10 0.00 -2.73 1.70 1.02 -1.26 -2.59 120.64 116.69 1bwm n GLU 80 Ca -0.07 -1.58 -0.07 0.00 -0.02 0.00 0.00 57.16 55.42 1bwm n GLU 80 Cb 0.63 0.10 0.06 0.00 -0.02 0.00 0.00 31.44 32.21 1bwm n GLU 80 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1bwm n LEU 81 N 0.31 -2.48 -4.74 -4.62 7.94 -1.26 -4.87 117.00 107.27 1bwm n LEU 81 Ca -0.04 -3.06 -0.36 0.00 -1.11 0.00 0.00 56.01 51.44 1bwm n LEU 81 Cb 0.97 0.82 -0.08 0.00 0.53 0.00 0.00 43.42 45.65 1bwm n LEU 81 CO -0.06 1.93 -0.22 0.00 -1.11 0.00 0.00 177.39 177.92 1bwm s ALA 82 N 0.51 3.59 0.33 1.96 0.00 -1.26 -4.86 121.76 122.02 1bwm s ALA 82 Ca 0.29 -0.71 0.01 0.00 0.00 0.00 0.00 51.96 51.55 1bwm s ALA 82 Cb 0.24 -1.90 -0.03 0.00 0.00 0.00 0.00 23.12 21.43 1bwm s ALA 82 CO -0.19 0.41 0.52 0.95 0.00 0.00 0.00 175.76 177.45 1bwm s THR 83 N -0.35 5.13 0.00 0.00 -4.23 -1.26 0.86 115.64 115.79 1bwm s THR 83 Ca 0.10 -0.52 -0.02 0.00 -1.18 0.00 0.00 61.69 60.07 1bwm s THR 83 Cb -0.12 -3.86 -0.10 0.00 1.34 0.00 0.00 72.50 69.77 1bwm s THR 83 CO 0.01 -0.52 1.66 -0.81 -0.54 0.00 0.00 174.62 174.43 1bwm n PRO 84 N -1.70 0.77 -0.28 3.99 -0.05 -1.25 -2.72 135.00 133.77 1bwm n PRO 84 Ca -0.05 -0.36 -0.00 0.00 -0.05 0.00 0.00 63.50 63.04 1bwm n PRO 84 Cb 0.56 -1.65 -0.00 0.00 -0.05 0.00 0.00 33.50 32.36 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 2.66 -0.04 -0.34 3.54 7.64 -1.26 -4.97 113.62 120.84 1bwm n SER 85 Ca 0.15 -0.11 0.02 0.00 1.01 0.00 0.00 58.87 59.95 1bwm n SER 85 Cb 0.36 0.01 0.03 0.00 -1.01 0.00 0.00 64.21 63.60 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 0.38 0.00 1.43 10.64 -1.10 -5.09 117.38 123.64 1bwm n GLN 86 Ca -0.01 -1.33 0.00 0.00 -1.83 0.00 0.00 57.00 53.83 1bwm n GLN 86 Cb 0.15 -0.74 0.00 0.00 -0.86 0.00 0.00 30.24 28.79 1bwm n GLN 86 CO 0.00 0.00 0.00 -2.37 -1.83 0.00 0.00 177.06 172.86 1bwm n THR 87 N -0.34 0.00 -3.30 -0.39 5.66 -1.26 -4.97 114.28 109.67 1bwm n THR 87 Ca 0.04 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.04 1bwm n THR 87 Cb 0.66 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.44 1bwm n THR 87 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1bwm n SER 88 N -1.86 0.00 -4.20 1.09 7.64 -1.19 -4.89 113.62 110.22 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 -0.16 0.00 -1.01 0.00 0.00 64.21 63.04 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 -2.84 2.26 -0.28 0.44 1.01 -0.77 -2.55 120.40 117.68 1bwm s VAL 89 Ca 0.00 -0.91 -0.12 0.00 0.00 0.00 0.00 61.98 60.95 1bwm s VAL 89 Cb 0.00 -1.92 -0.05 0.00 0.00 0.00 0.00 36.38 34.41 1bwm s VAL 89 CO 0.00 0.54 0.23 -0.31 0.00 0.00 0.00 175.10 175.56 1bwm s TYR 90 N 0.85 3.23 0.07 5.22 1.51 0.26 -1.41 117.35 127.08 1bwm s TYR 90 Ca -0.06 0.18 0.01 0.00 -1.01 0.00 0.00 57.07 56.19 1bwm s TYR 90 Cb -0.15 -2.43 -0.04 0.00 -0.11 0.00 0.00 41.96 39.23 1bwm s TYR 90 CO -0.02 -0.18 -0.05 -0.59 -1.11 0.00 0.00 175.55 173.60 1bwm s PHE 91 N 1.83 0.68 0.05 2.71 -0.12 -1.06 -1.00 117.98 121.06 1bwm s PHE 91 Ca 0.09 -0.86 0.01 0.00 -0.05 0.00 0.00 56.93 56.11 1bwm s PHE 91 Cb -0.16 -0.43 0.01 0.00 -0.63 0.00 0.00 43.02 41.81 1bwm s PHE 91 CO 0.11 -0.22 0.07 0.00 -0.05 0.00 0.00 175.22 175.13 1bwm s ALA 93 N -2.16 -3.19 0.56 0.00 0.00 -0.45 -4.32 121.76 112.20 1bwm s ALA 93 Ca 0.05 1.49 0.09 0.00 0.00 0.00 0.00 51.96 53.60 1bwm s ALA 93 Cb -0.00 -2.47 0.08 0.00 0.00 0.00 0.00 23.12 20.72 1bwm s ALA 93 CO 0.03 -1.53 0.78 -1.12 0.00 0.00 0.00 175.76 173.92 1bwm s SER 94 N 2.93 5.14 0.00 0.00 0.01 -1.21 -1.20 113.70 119.37 1bwm s SER 94 Ca 0.08 -0.80 0.00 0.00 1.31 0.00 0.00 55.95 56.54 1bwm s SER 94 Cb -0.10 0.20 0.00 0.00 0.21 0.00 0.00 66.02 66.33 1bwm s SER 94 CO -0.16 -1.30 0.00 0.61 0.41 0.00 0.00 173.24 172.80 1bwm n GLY 95 N -2.22 4.83 0.00 3.44 0.00 -1.26 0.42 105.19 110.41 1bwm n GLY 95 Ca 0.15 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 0.00 0.65 3.80 -0.02 0.00 -1.26 -4.39 105.19 103.96 1bwm n GLY 96 Ca 0.00 -0.72 -0.36 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.00 3.28 0.00 1.61 -0.21 -1.26 -4.27 119.66 116.82 1bwm s GLN 97 Ca 0.00 -0.24 0.00 0.00 0.02 0.00 0.00 55.36 55.14 1bwm s GLN 97 Cb 0.00 -3.04 0.00 0.00 1.00 0.00 0.00 33.01 30.97 1bwm s GLN 97 CO 0.00 0.73 0.00 0.41 -2.12 0.00 0.00 175.29 174.31 1bwm n GLY 98 N 2.09 0.36 3.16 3.09 0.00 -1.26 -4.72 105.19 107.91 1bwm n GLY 98 Ca -0.19 -0.49 -0.16 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.52 -1.96 -4.41 1.61 3.00 -1.26 -5.02 116.66 108.09 1bwm n ARG 99 Ca 0.00 1.68 -0.20 0.00 -0.00 0.00 0.00 57.85 59.33 1bwm n ARG 99 Cb 0.24 -4.45 -0.14 0.00 0.00 0.00 0.00 32.46 28.12 1bwm n ARG 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1bwm s ALA 104 N -2.46 0.95 0.80 5.13 0.00 -1.26 -5.06 121.76 119.86 1bwm s ALA 104 Ca 0.20 -0.58 -0.05 0.00 0.00 0.00 0.00 51.96 51.54 1bwm s ALA 104 Cb -0.04 -0.20 0.16 0.00 0.00 0.00 0.00 23.12 23.04 1bwm s ALA 104 CO 0.81 0.21 1.10 -1.21 0.00 0.00 0.00 175.76 176.66 1bwm s GLU 105 N -0.56 1.29 -0.12 0.00 8.01 -1.26 -4.57 118.70 121.48 1bwm s GLU 105 Ca 0.03 -1.00 -0.28 0.00 0.01 0.00 0.00 54.97 53.73 1bwm s GLU 105 Cb -0.05 -2.19 -0.01 0.00 -4.31 0.00 0.00 34.13 27.56 1bwm s GLU 105 CO 0.00 -1.79 0.93 -1.14 0.01 0.00 0.00 175.26 173.28 1bwm s GLN 106 N -5.37 4.39 -1.20 1.61 2.00 -1.26 -4.28 119.66 115.54 1bwm s GLN 106 Ca 0.69 1.25 -0.10 0.00 -2.00 0.00 0.00 55.36 55.20 1bwm s GLN 106 Cb -0.04 -3.54 0.21 0.00 0.80 0.00 0.00 33.01 30.44 1bwm s GLN 106 CO 0.47 -0.29 1.55 1.19 -0.50 0.00 0.00 175.29 177.71 1bwm n PHE 107 N 4.97 3.87 -1.85 1.67 3.72 0.17 -4.64 117.46 125.36 1bwm n PHE 107 Ca 0.07 -3.12 -0.42 0.00 -0.05 0.00 0.00 57.45 53.93 1bwm n PHE 107 Cb 0.49 -1.88 -0.03 0.00 -0.94 0.00 0.00 39.48 37.12 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 -0.01 1.73 0.00 1.38 0.08 -1.26 -3.28 117.98 116.62 1bwm s PHE 108 Ca 0.38 -0.08 0.00 0.00 0.12 0.00 0.00 56.93 57.35 1bwm s PHE 108 Cb 0.02 -4.07 0.00 0.00 -0.57 0.00 0.00 43.02 38.40 1bwm s PHE 108 CO 0.01 -4.60 0.00 0.41 -0.10 0.00 0.00 175.22 170.94 1bwm n GLY 109 N 4.29 1.00 3.35 4.36 0.00 -1.26 -4.80 105.19 112.12 1bwm n GLY 109 Ca 0.18 -1.94 -0.29 0.00 0.00 0.00 0.00 46.02 43.97 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 0.13 -2.32 0.29 1.61 0.01 -1.26 -4.77 135.00 128.71 1bwm s PRO 110 Ca 0.00 0.45 -0.04 0.00 0.01 0.00 0.00 61.00 61.42 1bwm s PRO 110 Cb 0.00 -1.42 0.02 0.00 0.01 0.00 0.00 34.50 33.11 1bwm s PRO 110 CO 0.00 -4.55 0.46 0.41 0.01 0.00 0.00 177.00 173.33 1bwm n GLY 111 N 1.39 2.01 2.93 0.52 0.00 -1.26 -4.22 105.19 106.55 1bwm n GLY 111 Ca 0.08 -1.48 -0.15 0.00 0.00 0.00 0.00 46.02 44.48 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 -2.63 0.27 -0.17 2.61 2.01 -0.17 -4.94 115.64 112.62 1bwm s THR 112 Ca 0.21 -0.14 -0.00 0.00 0.31 0.00 0.00 61.69 62.07 1bwm s THR 112 Cb -0.02 -0.23 0.04 0.00 0.01 0.00 0.00 72.50 72.30 1bwm s THR 112 CO 0.15 0.08 -0.07 0.00 -0.69 0.00 0.00 174.62 174.08 1bwm s ARG 113 N -0.06 1.66 0.08 4.92 1.04 -1.26 0.93 118.95 126.26 1bwm s ARG 113 Ca 0.01 -0.58 0.00 0.00 -1.04 0.00 0.00 55.73 54.12 1bwm s ARG 113 Cb -0.02 -2.08 -0.04 0.00 -2.04 0.00 0.00 34.95 30.77 1bwm s ARG 113 CO -0.00 -0.40 -0.04 -0.48 -0.04 0.00 0.00 175.30 174.34 1bwm s LEU 114 N 1.57 2.42 0.28 -1.89 0.05 -1.06 -4.90 118.68 115.16 1bwm s LEU 114 Ca 0.01 -1.03 0.11 0.00 0.05 0.00 0.00 54.13 53.27 1bwm s LEU 114 Cb -0.15 0.08 -0.05 0.00 -2.05 0.00 0.00 46.19 44.02 1bwm s LEU 114 CO -0.08 -0.55 -0.12 -0.89 -0.55 0.00 0.00 176.35 174.15 1bwm s THR 115 N -3.80 2.76 -0.34 5.48 2.01 -1.26 -3.14 115.64 117.35 1bwm s THR 115 Ca 0.11 -2.23 0.02 0.00 0.31 0.00 0.00 61.69 59.91 1bwm s THR 115 Cb 0.07 -2.51 0.09 0.00 0.01 0.00 0.00 72.50 70.16 1bwm s THR 115 CO -0.06 -0.37 0.05 -0.69 -0.69 0.00 0.00 174.62 172.86 1bwm s VAL 116 N -2.46 2.53 -0.12 3.82 1.01 -1.24 -1.95 120.40 121.99 1bwm s VAL 116 Ca 0.31 -2.09 -0.33 0.00 0.00 0.00 0.00 61.98 59.87 1bwm s VAL 116 Cb -0.05 -2.74 0.12 0.00 0.00 0.00 0.00 36.38 33.71 1bwm s VAL 116 CO 0.17 -0.48 1.11 -1.48 0.00 0.00 0.00 175.10 174.41 1bwm s LEU 116 N 1.01 -0.21 0.00 3.92 0.05 -0.31 -3.77 118.68 119.37 1bwm s LEU 116 Ca 0.06 -0.01 0.00 0.00 0.05 0.00 0.00 54.13 54.22 1bwm s LEU 116 Cb -0.20 1.60 0.00 0.00 -2.05 0.00 0.00 46.19 45.54 1bwm s LEU 116 CO -0.06 -0.37 0.00 0.61 -0.55 0.00 0.00 176.35 175.98 1bwm n GLY 201 N -0.16 3.17 1.01 -3.48 0.00 -1.26 -3.91 105.19 100.56 1bwm n GLY 201 Ca -0.03 -0.76 -0.00 0.00 0.00 0.00 0.00 46.02 45.23 1bwm n GLY 201 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1bwm n SER 202 N 0.00 0.25 -2.34 1.61 3.41 -1.26 -3.91 113.62 111.39 1bwm n SER 202 Ca 0.00 0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 1bwm n SER 202 Cb 0.00 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 63.87 1bwm n SER 202 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1bwm n ASP 203 N -2.72 -0.43 -2.17 4.04 9.92 -1.26 -5.06 116.55 118.87 1bwm n ASP 203 Ca -0.00 -0.69 0.00 0.00 -0.53 0.00 0.00 54.79 53.57 1bwm n ASP 203 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1bwm n ASP 203 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1bwm n TYR 204 N -2.04 -3.55 -2.65 1.24 4.01 -1.26 -5.00 117.16 107.91 1bwm n TYR 204 Ca 0.00 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.34 1bwm n TYR 204 Cb 0.00 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 38.98 1bwm n TYR 204 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 1bwm s LYS 205 N -2.81 4.74 -0.19 -0.72 -0.14 -1.26 -5.04 119.74 114.31 1bwm s LYS 205 Ca 0.00 1.58 -0.08 0.00 -1.36 0.00 0.00 55.97 56.11 1bwm s LYS 205 Cb 0.00 -3.28 0.08 0.00 -1.68 0.00 0.00 37.83 32.95 1bwm s LYS 205 CO 0.00 0.32 0.43 0.34 -0.76 0.00 0.00 175.35 175.68 1bwm s ASP 206 N -0.71 -0.37 -0.12 2.83 2.15 -1.26 -5.05 116.67 114.13 1bwm s ASP 206 Ca 0.44 0.98 -0.28 0.00 0.43 0.00 0.00 52.55 54.13 1bwm s ASP 206 Cb -0.27 1.17 -0.27 0.00 -0.30 0.00 0.00 42.92 43.24 1bwm s ASP 206 CO 0.34 -0.22 0.80 -0.78 -0.17 0.00 0.00 175.17 175.14 1bwm h ASP 207 N 7.78 0.10 -4.88 -0.34 3.58 -2.07 -3.47 116.42 117.12 1bwm h ASP 207 Ca -0.23 -0.99 -0.35 0.00 0.42 0.00 0.00 57.03 55.88 1bwm h ASP 207 Cb 1.14 -0.03 0.07 0.00 1.72 0.00 0.00 39.33 42.22 1bwm h ASP 207 CO 0.18 1.07 0.10 0.47 -2.88 0.00 0.00 179.24 178.19 1bwm n ASP 208 N -4.51 0.96 -3.70 2.28 9.92 -1.26 -5.10 116.55 115.14 1bwm n ASP 208 Ca -0.11 -1.83 -0.28 0.00 -0.53 0.00 0.00 54.79 52.05 1bwm n ASP 208 Cb 0.55 -0.51 -0.16 0.00 -0.64 0.00 0.00 41.12 40.36 1bwm n ASP 208 CO 0.00 0.00 0.00 1.51 0.13 0.00 0.00 177.20 178.84 1bwm s ASP 209 N -4.10 3.10 0.11 -2.24 -4.77 -1.26 -4.99 116.67 102.51 1bwm s ASP 209 Ca 0.50 -0.98 0.00 0.00 -3.30 0.00 0.00 52.55 48.77 1bwm s ASP 209 Cb -0.03 -0.57 0.00 0.00 -1.09 0.00 0.00 42.92 41.23 1bwm s ASP 209 CO 0.34 -0.34 0.00 1.17 0.70 0.00 0.00 175.17 177.03 1bwm n LYS 210 N 5.06 0.00 -3.16 2.11 4.81 -1.26 -5.06 118.16 120.66 1bwm n LYS 210 Ca -0.07 0.00 0.03 0.00 -0.87 0.00 0.00 58.31 57.40 1bwm n LYS 210 Cb 0.46 -0.41 -0.01 0.00 0.02 0.00 0.00 35.03 35.09 1bwm n LYS 210 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1bwm s ARG 211 N -2.00 0.55 0.21 1.64 0.52 -1.26 -5.05 118.95 113.56 1bwm s ARG 211 Ca 0.00 0.67 0.00 0.00 -0.52 0.00 0.00 55.73 55.88 1bwm s ARG 211 Cb 0.00 0.31 0.00 0.00 0.52 0.00 0.00 34.95 35.78 1bwm s ARG 211 CO 0.00 -0.92 0.00 0.45 0.02 0.00 0.00 175.30 174.85 1bwm n SER 212 N 5.42 0.05 0.00 0.23 2.88 -1.26 -5.16 113.62 115.78 1bwm n SER 212 Ca 0.03 0.35 0.00 0.00 -1.33 0.00 0.00 58.87 57.92 1bwm n SER 212 Cb 0.53 0.23 0.00 0.00 -0.75 0.00 0.00 64.21 64.21 1bwm n SER 212 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1bwm n GLY 213 N 1.89 -0.01 0.00 0.46 0.00 -1.26 -5.09 105.19 101.18 1bwm n GLY 213 Ca 0.00 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.52 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 0.00 3.69 0.06 -0.02 0.00 -1.26 -5.07 105.19 102.60 1bwm n GLY 214 Ca 0.00 -1.24 -0.06 0.00 0.00 0.00 0.00 46.02 44.72 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 -0.67 0.00 -0.02 0.00 -1.26 -4.94 105.19 98.31 1bwm n GLY 215 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 2.15 1.33 2.77 -0.02 0.00 -1.26 -4.98 105.19 105.18 1bwm n GLY 216 Ca -0.21 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.78 1bwm n GLY 216 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1bwm n SER 217 N 0.00 -4.28 0.00 1.61 2.88 -1.26 -4.63 113.62 107.94 1bwm n SER 217 Ca 0.00 1.22 0.00 0.00 -1.33 0.00 0.00 58.87 58.76 1bwm n SER 217 Cb 0.00 -4.35 0.00 0.00 -0.75 0.00 0.00 64.21 59.11 1bwm n SER 217 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1bwm n GLY 218 N 1.52 1.04 2.02 0.46 0.00 -1.26 -4.96 105.19 104.01 1bwm n GLY 218 Ca -0.20 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.78 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 0.00 2.33 3.44 -0.02 0.00 -1.26 -4.92 105.19 104.77 1bwm n GLY 219 Ca 0.00 -0.45 -0.43 0.00 0.00 0.00 0.00 46.02 45.14 1bwm n GLY 219 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bwm s GLY 220 N -0.00 1.50 -1.14 -0.02 0.00 -1.26 -4.94 107.32 101.46 1bwm s GLY 220 Ca 0.00 -2.02 -0.11 0.00 0.00 0.00 0.00 44.72 42.59 1bwm s GLY 220 CO 0.00 1.99 1.21 -0.32 0.00 0.00 0.00 173.10 175.98 1bwm s GLY 221 N 3.67 2.93 0.53 0.20 0.00 -1.26 -5.03 107.32 108.37 1bwm s GLY 221 Ca 0.22 -3.66 -0.14 0.00 0.00 0.00 0.00 44.72 41.13 1bwm s GLY 221 CO 0.07 1.58 0.97 -0.56 0.00 0.00 0.00 173.10 175.15 1bwm s SER 222 N 1.87 6.51 0.00 1.64 0.01 -1.26 -4.63 113.70 117.84 1bwm s SER 222 Ca 0.34 1.48 0.00 0.00 1.31 0.00 0.00 55.95 59.08 1bwm s SER 222 Cb -0.08 -2.48 0.00 0.00 0.21 0.00 0.00 66.02 63.68 1bwm s SER 222 CO -0.05 -0.63 0.00 0.61 0.41 0.00 0.00 173.24 173.57 1bwm n GLY 223 N -1.84 3.00 2.57 3.44 0.00 -1.26 -4.98 105.19 106.13 1bwm n GLY 223 Ca 0.06 -0.39 -0.35 0.00 0.00 0.00 0.00 46.02 45.33 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 5.47 3.21 -0.02 0.00 -1.26 -4.90 105.19 107.68 1bwm n GLY 224 Ca 0.00 -2.26 -0.34 0.00 0.00 0.00 0.00 46.02 43.41 1bwm n GLY 224 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bwm s SER 225 N -1.17 4.28 -0.11 1.61 0.01 -1.26 -5.07 113.70 111.99 1bwm s SER 225 Ca 0.56 -0.81 -0.29 0.00 1.31 0.00 0.00 55.95 56.72 1bwm s SER 225 Cb 0.45 -1.67 -0.06 0.00 0.21 0.00 0.00 66.02 64.96 1bwm s SER 225 CO -0.21 -0.11 1.87 -0.83 0.41 0.00 0.00 173.24 174.37 1bwm s GLY 226 N 1.34 1.19 0.23 3.44 0.00 -1.26 -5.13 107.32 107.13 1bwm s GLY 226 Ca 0.01 0.90 -0.21 0.00 0.00 0.00 0.00 44.72 45.42 1bwm s GLY 226 CO -0.05 3.34 0.65 0.00 0.00 0.00 0.00 173.10 177.04 1bwm s ALA 227 N 5.46 -1.23 0.00 3.20 0.00 -1.26 -4.75 121.76 123.18 1bwm s ALA 227 Ca 0.84 -0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.69 1bwm s ALA 227 Cb -0.34 0.87 0.00 0.00 0.00 0.00 0.00 23.12 23.65 1bwm s ALA 227 CO 0.35 -0.92 0.00 0.94 0.00 0.00 0.00 175.76 176.13 1bwm n GLN 301 N -0.42 0.00 -0.04 0.00 7.27 -1.26 -5.26 117.38 117.67 1bwm n GLN 301 Ca -0.08 0.00 -0.06 0.00 0.07 0.00 0.00 57.00 56.93 1bwm n GLN 301 Cb 0.61 0.00 -0.02 0.00 2.41 0.00 0.00 30.24 33.24 1bwm n GLN 301 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 1bwm n GLN 302 N 0.00 0.34 -1.69 3.69 6.02 -1.26 -4.95 117.38 119.53 1bwm n GLN 302 Ca 0.00 0.13 -0.40 0.00 -0.01 0.00 0.00 57.00 56.72 1bwm n GLN 302 Cb 0.00 -1.09 0.02 0.00 1.02 0.00 0.00 30.24 30.19 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 -4.09 2.97 -3.55 5.09 0.31 -1.23 -4.08 118.33 113.75 1bwm n VAL 303 Ca -0.09 -0.50 -0.01 0.00 -0.01 0.00 0.00 64.34 63.73 1bwm n VAL 303 Cb 0.33 -1.48 -0.06 0.00 -0.91 0.00 0.00 33.84 31.73 1bwm n VAL 303 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1bwm s ARG 304 N -2.40 0.33 0.45 5.55 1.70 -0.28 -4.17 118.95 120.13 1bwm s ARG 304 Ca 0.66 0.66 -0.21 0.00 -0.47 0.00 0.00 55.73 56.37 1bwm s ARG 304 Cb -0.48 0.21 -0.10 0.00 -0.57 0.00 0.00 34.95 34.01 1bwm s ARG 304 CO 0.54 -0.08 1.00 -0.65 -1.08 0.00 0.00 175.30 175.03 1bwm s GLN 305 N 1.75 4.03 -0.16 3.89 -1.52 -1.24 -2.16 119.66 124.25 1bwm s GLN 305 Ca -0.07 1.27 -0.18 0.00 -1.95 0.00 0.00 55.36 54.44 1bwm s GLN 305 Cb -0.04 -2.18 -0.14 0.00 -0.22 0.00 0.00 33.01 30.42 1bwm s GLN 305 CO -0.16 -0.22 0.21 1.03 -0.25 0.00 0.00 175.29 175.91 1bwm h SER 306 N 1.81 0.00 -0.42 5.90 0.87 -1.65 -3.37 113.55 116.69 1bwm h SER 306 Ca -0.49 -0.43 -0.03 0.00 -1.23 0.00 0.00 61.79 59.61 1bwm h SER 306 Cb 1.20 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.14 1bwm h SER 306 CO 0.60 1.09 0.16 -0.65 -0.53 0.00 0.00 176.83 177.50 1bwm h PRO 307 N -1.00 0.70 -5.28 2.24 0.11 -1.92 -3.48 132.00 123.36 1bwm h PRO 307 Ca -0.15 -0.11 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1bwm h PRO 307 Cb 0.89 -0.12 -0.05 0.00 0.11 0.00 0.00 31.00 31.82 1bwm h PRO 307 CO -0.09 0.61 -1.16 0.94 -0.21 0.00 0.00 178.00 178.09 1bwm n GLN 308 N -4.33 -3.48 -1.48 1.05 -0.06 -1.26 -4.82 117.38 103.01 1bwm n GLN 308 Ca 0.04 2.76 0.07 0.00 -2.00 0.00 0.00 57.00 57.86 1bwm n GLN 308 Cb 0.18 -4.54 -0.04 0.00 -4.06 0.00 0.00 30.24 21.78 1bwm n GLN 308 CO 0.00 0.00 0.00 -1.13 -0.20 0.00 0.00 177.06 175.73 1bwm n SER 309 N 1.28 -8.00 -3.58 1.69 3.41 -1.26 -4.87 113.62 102.29 1bwm n SER 309 Ca -0.16 1.67 -0.08 0.00 -0.26 0.00 0.00 58.87 60.04 1bwm n SER 309 Cb 0.30 -4.89 -0.04 0.00 -0.26 0.00 0.00 64.21 59.31 1bwm n SER 309 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1bwm s LEU 310 N -6.08 -0.27 -0.32 1.04 2.96 0.73 -4.80 118.68 111.93 1bwm s LEU 310 Ca 0.00 0.21 0.03 0.00 -0.22 0.00 0.00 54.13 54.16 1bwm s LEU 310 Cb 0.00 1.67 0.09 0.00 0.50 0.00 0.00 46.19 48.45 1bwm s LEU 310 CO 0.00 -0.31 0.02 -0.89 -1.32 0.00 0.00 176.35 173.85 1bwm s THR 311 N -1.61 2.14 0.97 3.68 2.01 -1.26 -2.55 115.64 119.02 1bwm s THR 311 Ca 0.03 -2.12 -0.12 0.00 0.31 0.00 0.00 61.69 59.79 1bwm s THR 311 Cb -0.01 -2.52 0.17 0.00 0.01 0.00 0.00 72.50 70.16 1bwm s THR 311 CO -0.03 -0.49 1.09 0.54 -0.69 0.00 0.00 174.62 175.04 1bwm s VAL 312 N 1.00 2.32 -0.50 3.82 0.11 -0.93 -4.92 120.40 121.30 1bwm s VAL 312 Ca 0.07 0.10 0.11 0.00 -2.93 0.00 0.00 61.98 59.34 1bwm s VAL 312 Cb -0.19 -2.53 0.64 0.00 -1.53 0.00 0.00 36.38 32.78 1bwm s VAL 312 CO -0.09 -0.13 1.49 0.79 -3.33 0.00 0.00 175.10 173.83 1bwm n TRP 313 N -4.14 1.61 -2.66 1.54 7.02 -1.26 -3.36 117.44 116.18 1bwm n TRP 313 Ca 0.06 -0.56 -0.05 0.00 -1.02 0.00 0.00 57.50 55.93 1bwm n TRP 313 Cb 0.56 -0.40 -0.04 0.00 -2.42 0.00 0.00 31.31 29.00 1bwm n TRP 313 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 1bwm n GLU 314 N 0.54 -4.21 0.00 -0.99 2.13 -1.26 -4.54 120.64 112.31 1bwm n GLU 314 Ca 0.22 3.19 0.00 0.00 0.66 0.00 0.00 57.16 61.23 1bwm n GLU 314 Cb 0.97 -4.49 0.00 0.00 0.27 0.00 0.00 31.44 28.19 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 1.85 3.19 2.28 8.31 0.00 0.79 -4.95 105.19 116.65 1bwm n GLY 315 Ca -0.36 -1.04 -0.19 0.00 0.00 0.00 0.00 46.02 44.43 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 -2.07 -3.09 1.61 2.13 -1.26 -3.01 120.64 114.95 1bwm n GLU 316 Ca 0.00 -1.15 -0.19 0.00 0.66 0.00 0.00 57.16 56.48 1bwm n GLU 316 Cb 0.00 -1.01 0.04 0.00 0.27 0.00 0.00 31.44 30.74 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 -2.38 2.42 0.06 6.31 -1.32 -1.26 -1.97 115.64 117.51 1bwm s THR 317 Ca 0.46 -1.04 -0.02 0.00 -1.21 0.00 0.00 61.69 59.88 1bwm s THR 317 Cb -0.04 -2.46 -0.04 0.00 -1.51 0.00 0.00 72.50 68.46 1bwm s THR 317 CO 0.35 0.00 -0.00 -0.89 -2.21 0.00 0.00 174.62 171.86 1bwm s THR 318 N -2.56 0.20 -0.10 5.08 2.01 -1.07 -4.91 115.64 114.30 1bwm s THR 318 Ca 0.58 -1.76 -0.03 0.00 0.31 0.00 0.00 61.69 60.79 1bwm s THR 318 Cb -0.07 -1.54 0.04 0.00 0.01 0.00 0.00 72.50 70.95 1bwm s THR 318 CO 0.36 -0.93 0.05 -0.63 -0.69 0.00 0.00 174.62 172.78 1bwm s ILE 319 N -3.92 0.06 0.34 1.82 1.09 -1.26 -2.49 121.20 116.84 1bwm s ILE 319 Ca 0.08 0.10 0.08 0.00 -1.10 0.00 0.00 60.65 59.80 1bwm s ILE 319 Cb 0.08 -0.44 -0.03 0.00 -1.06 0.00 0.00 42.46 41.01 1bwm s ILE 319 CO -0.09 0.03 0.28 -0.76 -0.10 0.00 0.00 174.94 174.29 1bwm s LEU 320 N 2.09 3.56 -0.14 2.97 1.02 -0.81 -4.93 118.68 122.44 1bwm s LEU 320 Ca 0.04 -0.53 -0.11 0.00 0.02 0.00 0.00 54.13 53.55 1bwm s LEU 320 Cb -0.14 -2.16 0.04 0.00 0.02 0.00 0.00 46.19 43.95 1bwm s LEU 320 CO -0.06 -0.35 0.35 0.20 0.02 0.00 0.00 176.35 176.52 1bwm s ASN 321 N -3.98 -0.39 0.22 2.29 0.01 -1.26 -2.11 114.94 109.72 1bwm s ASN 321 Ca 0.41 0.73 0.09 0.00 -0.71 0.00 0.00 52.86 53.37 1bwm s ASN 321 Cb -0.05 0.69 -0.05 0.00 0.41 0.00 0.00 41.25 42.25 1bwm s ASN 321 CO 0.26 -0.15 -0.16 0.00 -1.51 0.00 0.00 177.10 175.54 1bwm s SER 323 N -3.28 -0.46 0.00 0.00 0.01 -0.92 -1.92 113.70 107.13 1bwm s SER 323 Ca 0.23 0.60 0.00 0.00 1.31 0.00 0.00 55.95 58.09 1bwm s SER 323 Cb -0.02 0.62 0.00 0.00 0.21 0.00 0.00 66.02 66.83 1bwm s SER 323 CO 0.09 -0.43 0.00 0.00 0.41 0.00 0.00 173.24 173.31 1bwm n TYR 324 N 1.60 0.00 -1.27 2.43 0.18 -1.26 -1.13 117.16 117.71 1bwm n TYR 324 Ca -0.18 0.00 0.02 0.00 1.88 0.00 0.00 57.90 59.61 1bwm n TYR 324 Cb 0.56 0.00 0.02 0.00 -0.38 0.00 0.00 39.34 39.55 1bwm n TYR 324 CO 0.00 0.00 0.00 0.39 -2.08 0.00 0.00 176.86 175.17 1bwm n GLU 325 N 0.00 0.58 -4.49 -3.48 1.02 -1.26 -4.91 120.64 108.09 1bwm n GLU 325 Ca 0.00 -1.14 -0.26 0.00 -0.02 0.00 0.00 57.16 55.75 1bwm n GLU 325 Cb 0.00 -0.71 -0.10 0.00 -0.02 0.00 0.00 31.44 30.60 1bwm n GLU 325 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1bwm s ASP 326 N -0.95 3.86 -0.08 1.62 1.01 -1.26 -5.05 116.67 115.82 1bwm s ASP 326 Ca 0.05 -1.16 0.16 0.00 0.71 0.00 0.00 52.55 52.31 1bwm s ASP 326 Cb 0.04 -0.40 0.33 0.00 1.01 0.00 0.00 42.92 43.91 1bwm s ASP 326 CO 0.00 -0.24 1.15 -1.20 0.21 0.00 0.00 175.17 175.10 1bwm n SER 327 N -0.85 1.20 -0.29 0.27 7.64 -1.26 -4.75 113.62 115.57 1bwm n SER 327 Ca -0.05 -2.70 0.08 0.00 1.01 0.00 0.00 58.87 57.22 1bwm n SER 327 Cb 0.64 -0.37 0.17 0.00 -1.01 0.00 0.00 64.21 63.64 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 -0.31 1.99 -3.60 0.44 5.66 -1.26 -5.02 114.28 112.18 1bwm n THR 328 Ca 0.10 -2.63 -0.37 0.00 -3.05 0.00 0.00 64.05 58.09 1bwm n THR 328 Cb 0.87 -0.23 -0.06 0.00 -1.55 0.00 0.00 70.33 69.36 1bwm n THR 328 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 175.07 171.66 1bwm s PHE 329 N -2.98 3.61 -0.14 1.09 0.08 -1.26 -4.30 117.98 114.08 1bwm s PHE 329 Ca 0.34 0.76 -0.24 0.00 0.12 0.00 0.00 56.93 57.91 1bwm s PHE 329 Cb 0.31 -2.22 -0.21 0.00 -0.57 0.00 0.00 43.02 40.33 1bwm s PHE 329 CO -0.01 0.53 0.59 0.22 -0.10 0.00 0.00 175.22 176.45 1bwm h ASP 330 N 5.41 0.00 -3.25 1.36 3.58 -1.88 -3.47 116.42 118.17 1bwm h ASP 330 Ca -0.49 -0.79 -0.18 0.00 0.42 0.00 0.00 57.03 55.99 1bwm h ASP 330 Cb 1.20 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 42.21 1bwm h ASP 330 CO 0.65 0.97 -0.06 0.00 -2.88 0.00 0.00 179.24 177.92 1bwm n TYR 331 N -4.62 -1.34 -3.66 0.28 4.11 -1.26 -4.60 117.16 106.08 1bwm n TYR 331 Ca -0.11 -1.71 -0.30 0.00 -0.00 0.00 0.00 57.90 55.79 1bwm n TYR 331 Cb 0.42 0.46 -0.14 0.00 -0.00 0.00 0.00 39.34 40.08 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 -3.52 1.42 -0.51 -3.48 0.40 -1.26 -2.34 117.98 108.70 1bwm s PHE 332 Ca 0.20 -1.76 -0.26 0.00 -0.60 0.00 0.00 56.93 54.52 1bwm s PHE 332 Cb -0.01 -1.52 -0.07 0.00 0.51 0.00 0.00 43.02 41.93 1bwm s PHE 332 CO 0.15 -0.84 2.37 -1.25 0.70 0.00 0.00 175.22 176.35 1bwm s PRO 333 N 1.31 2.11 -1.11 0.24 0.04 -1.24 -3.48 135.00 132.87 1bwm s PRO 333 Ca 0.13 1.32 -0.25 0.00 0.04 0.00 0.00 61.00 62.24 1bwm s PRO 333 Cb -0.20 -4.58 -0.15 0.00 0.04 0.00 0.00 34.50 29.61 1bwm s PRO 333 CO -0.17 -3.30 2.03 -1.58 0.04 0.00 0.00 177.00 174.03 1bwm s TRP 334 N 12.12 1.59 1.16 0.56 0.52 -0.89 -4.24 118.94 129.76 1bwm s TRP 334 Ca 0.95 1.35 -0.19 0.00 0.02 0.00 0.00 56.10 58.23 1bwm s TRP 334 Cb -0.16 -3.68 0.29 0.00 -1.15 0.00 0.00 33.47 28.76 1bwm s TRP 334 CO 0.25 -1.00 1.08 0.66 0.02 0.00 0.00 176.95 177.95 1bwm n TYR 335 N 16.89 -3.88 -3.79 -1.98 4.01 -0.62 -2.70 117.16 125.09 1bwm n TYR 335 Ca 0.43 -0.97 -0.13 0.00 -0.16 0.00 0.00 57.90 57.07 1bwm n TYR 335 Cb 0.47 -1.08 -0.10 0.00 -0.31 0.00 0.00 39.34 38.31 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 -5.44 0.44 -0.06 -0.72 3.52 -0.71 -0.67 118.95 115.31 1bwm s ARG 336 Ca 0.69 0.13 0.00 0.00 -0.13 0.00 0.00 55.73 56.42 1bwm s ARG 336 Cb -0.06 0.20 0.02 0.00 -1.56 0.00 0.00 34.95 33.55 1bwm s ARG 336 CO 0.52 -0.09 -0.04 -1.14 -0.81 0.00 0.00 175.30 173.75 1bwm s GLN 337 N -0.45 0.87 0.25 5.12 0.74 0.93 -1.35 119.66 125.78 1bwm s GLN 337 Ca -0.06 -0.08 -0.03 0.00 0.05 0.00 0.00 55.36 55.25 1bwm s GLN 337 Cb -0.04 -0.97 -0.05 0.00 1.10 0.00 0.00 33.01 33.06 1bwm s GLN 337 CO 0.02 -0.15 0.48 -0.06 -0.55 0.00 0.00 175.29 175.02 1bwm s PHE 338 N 1.26 3.48 0.41 1.67 0.40 -1.26 -0.39 117.98 123.55 1bwm s PHE 338 Ca -0.05 0.50 0.10 0.00 -0.60 0.00 0.00 56.93 56.88 1bwm s PHE 338 Cb -0.14 -1.99 0.87 0.00 0.51 0.00 0.00 43.02 42.28 1bwm s PHE 338 CO -0.02 0.26 1.97 -1.00 0.70 0.00 0.00 175.22 177.13 1bwm h PRO 339 N 1.81 0.23 0.00 0.24 0.14 -1.91 -3.38 132.00 129.13 1bwm h PRO 339 Ca -0.48 -0.04 0.00 0.00 0.14 0.00 0.00 66.00 65.62 1bwm h PRO 339 Cb 1.19 -0.04 0.00 0.00 0.14 0.00 0.00 31.00 32.29 1bwm h PRO 339 CO 0.67 0.31 -0.50 0.41 0.14 0.00 0.00 178.00 179.03 1bwm n GLY 340 N -1.04 0.00 0.00 1.56 0.00 -1.26 -5.08 105.19 99.36 1bwm n GLY 340 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.41 -1.68 -4.18 1.61 5.02 -1.26 -4.99 118.16 110.27 1bwm n LYS 341 Ca 0.00 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.95 1bwm n LYS 341 Cb 0.25 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.18 1bwm n LYS 341 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1bwm s SER 342 N -1.94 5.59 1.08 4.39 1.04 -1.26 -4.46 113.70 118.14 1bwm s SER 342 Ca 0.00 0.19 -0.12 0.00 0.48 0.00 0.00 55.95 56.50 1bwm s SER 342 Cb 0.00 -1.63 0.23 0.00 0.10 0.00 0.00 66.02 64.73 1bwm s SER 342 CO 0.00 0.34 1.06 -2.16 0.98 0.00 0.00 173.24 173.46 1bwm s PRO 343 N -1.25 -0.23 -0.16 4.02 0.05 -1.26 -4.56 135.00 131.62 1bwm s PRO 343 Ca 0.17 0.97 -0.29 0.00 0.05 0.00 0.00 61.00 61.91 1bwm s PRO 343 Cb -0.12 -1.62 0.09 0.00 0.05 0.00 0.00 34.50 32.90 1bwm s PRO 343 CO 0.07 -3.30 0.79 0.00 0.05 0.00 0.00 177.00 174.62 1bwm s ALA 344 N -2.58 -1.83 0.07 8.56 0.00 -0.45 -4.44 121.76 121.09 1bwm s ALA 344 Ca 0.67 1.62 -0.30 0.00 0.00 0.00 0.00 51.96 53.95 1bwm s ALA 344 Cb -0.23 -0.61 -0.06 0.00 0.00 0.00 0.00 23.12 22.21 1bwm s ALA 344 CO 0.62 -0.33 1.17 -1.17 0.00 0.00 0.00 175.76 176.05 1bwm s LEU 345 N -0.59 4.38 -0.01 0.00 0.20 -1.26 -1.74 118.68 119.65 1bwm s LEU 345 Ca -0.05 2.00 -0.01 0.00 0.69 0.00 0.00 54.13 56.77 1bwm s LEU 345 Cb -0.02 -3.58 -0.00 0.00 -0.43 0.00 0.00 46.19 42.16 1bwm s LEU 345 CO 0.04 -0.43 -0.02 0.18 -0.29 0.00 0.00 176.35 175.83 1bwm n LEU 346 N 3.74 0.15 0.00 -0.68 4.77 -1.10 -4.90 117.00 118.98 1bwm n LEU 346 Ca 0.08 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.31 1bwm n LEU 346 Cb 0.47 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 1bwm n LEU 346 CO 0.55 -0.50 0.00 2.30 -1.33 0.00 0.00 177.39 178.42 1bwm n ILE 347 N -2.48 0.00 -3.57 -0.08 -0.00 -1.25 -5.01 119.36 106.97 1bwm n ILE 347 Ca -0.01 0.00 -0.08 0.00 -0.00 0.00 0.00 62.75 62.67 1bwm n ILE 347 Cb 0.02 0.00 -0.08 0.00 -0.00 0.00 0.00 39.64 39.58 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 -1.52 -1.25 0.49 -1.28 0.00 -1.26 -2.09 121.76 114.84 1bwm s ALA 348 Ca 0.00 1.45 0.00 0.00 0.00 0.00 0.00 51.96 53.41 1bwm s ALA 348 Cb 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 23.12 21.65 1bwm s ALA 348 CO 0.00 -0.90 0.00 0.44 0.00 0.00 0.00 175.76 175.30 1bwm n ILE 349 N 5.39 0.00 -0.52 0.00 -5.35 -1.23 -4.88 119.36 112.78 1bwm n ILE 349 Ca -0.07 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.41 1bwm n ILE 349 Cb 0.50 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.40 1bwm n ILE 349 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 1bwm n SER 350 N 0.00 0.00 -3.55 7.28 2.88 -1.26 -4.02 113.62 114.94 1bwm n SER 350 Ca 0.00 -0.11 -0.27 0.00 -1.33 0.00 0.00 58.87 57.17 1bwm n SER 350 Cb 0.00 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 63.51 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 -3.68 0.00 2.46 4.32 -1.26 -4.82 117.00 114.02 1bwm n LEU 351 Ca 0.00 -0.93 0.00 0.00 -0.02 0.00 0.00 56.01 55.06 1bwm n LEU 351 Cb 0.03 -2.64 0.00 0.00 -1.62 0.00 0.00 43.42 39.19 1bwm n LEU 351 CO 0.00 0.36 -0.26 0.55 -1.22 0.00 0.00 177.39 176.82 1bwm n VAL 352 N -3.90 0.00 -4.30 4.08 3.14 -1.26 -5.06 118.33 111.03 1bwm n VAL 352 Ca -0.09 0.00 -0.27 0.00 -2.96 0.00 0.00 64.34 61.03 1bwm n VAL 352 Cb 0.60 0.00 -0.10 0.00 -1.06 0.00 0.00 33.84 33.28 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 -1.38 4.19 0.60 6.55 0.01 -1.26 -5.00 113.70 117.41 1bwm s SER 353 Ca 0.00 -0.59 0.30 0.00 1.31 0.00 0.00 55.95 56.96 1bwm s SER 353 Cb 0.00 -0.69 1.75 0.00 0.21 0.00 0.00 66.02 67.29 1bwm s SER 353 CO 0.00 0.11 2.16 0.78 0.41 0.00 0.00 173.24 176.70 1bwm h ASN 354 N 2.96 0.00 -3.55 2.44 2.35 -1.92 -3.33 115.58 114.53 1bwm h ASN 354 Ca -0.47 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.25 1bwm h ASN 354 Cb 1.20 0.00 -0.22 0.00 0.05 0.00 0.00 38.32 39.36 1bwm h ASN 354 CO 0.54 0.00 0.02 -1.59 -1.65 0.00 0.00 177.43 174.75 1bwm s LYS 355 N -4.60 0.72 -0.05 0.81 -2.85 -1.26 -2.60 119.74 109.91 1bwm s LYS 355 Ca -0.05 1.03 0.00 0.00 -1.00 0.00 0.00 55.97 55.96 1bwm s LYS 355 Cb 0.15 0.26 0.02 0.00 -2.06 0.00 0.00 37.83 36.20 1bwm s LYS 355 CO 0.53 -0.12 -0.02 0.15 0.10 0.00 0.00 175.35 175.99 1bwm s LYS 356 N 0.93 0.65 -0.17 1.78 1.02 0.96 -4.94 119.74 119.97 1bwm s LYS 356 Ca -0.05 -0.01 -0.04 0.00 0.02 0.00 0.00 55.97 55.90 1bwm s LYS 356 Cb -0.05 -0.80 -0.02 0.00 -0.52 0.00 0.00 37.83 36.44 1bwm s LYS 356 CO -0.08 -0.15 -0.04 -2.00 -0.92 0.00 0.00 175.35 172.15 1bwm s GLU 357 N 1.23 3.56 -0.60 1.68 2.12 -1.26 -0.38 118.70 125.05 1bwm s GLU 357 Ca -0.06 -0.56 0.06 0.00 0.36 0.00 0.00 54.97 54.76 1bwm s GLU 357 Cb -0.14 -2.93 0.30 0.00 0.26 0.00 0.00 34.13 31.62 1bwm s GLU 357 CO -0.02 0.10 0.85 -0.40 -0.54 0.00 0.00 175.26 175.25 1bwm n ASP 358 N 3.95 4.10 0.00 -1.70 5.68 -1.07 -4.85 116.55 122.65 1bwm n ASP 358 Ca -0.18 -3.56 0.00 0.00 -0.50 0.00 0.00 54.79 50.55 1bwm n ASP 358 Cb 0.52 -0.61 0.00 0.00 -1.14 0.00 0.00 41.12 39.89 1bwm n ASP 358 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1bwm n GLY 359 N 0.28 3.26 0.32 6.12 0.00 -1.26 -4.63 105.19 109.27 1bwm n GLY 359 Ca 0.30 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.44 1.61 1.74 -1.26 -5.11 116.66 111.20 1bwm n ARG 361 Ca 0.00 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.67 1bwm n ARG 361 Cb 0.00 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.41 1bwm n ARG 361 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1bwm s PHE 362 N -1.18 3.48 -0.41 -1.55 0.08 -1.26 -4.81 117.98 112.33 1bwm s PHE 362 Ca 0.00 1.42 -0.03 0.00 0.12 0.00 0.00 56.93 58.44 1bwm s PHE 362 Cb 0.00 -3.38 0.11 0.00 -0.57 0.00 0.00 43.02 39.18 1bwm s PHE 362 CO 0.00 -1.05 0.21 -0.08 -0.10 0.00 0.00 175.22 174.20 1bwm s THR 363 N 0.41 3.36 0.36 0.64 -1.32 -1.14 -2.60 115.64 115.36 1bwm s THR 363 Ca 0.54 -2.00 -0.25 0.00 -1.21 0.00 0.00 61.69 58.77 1bwm s THR 363 Cb -0.30 -3.28 -0.09 0.00 -1.51 0.00 0.00 72.50 67.32 1bwm s THR 363 CO 0.33 -0.68 1.03 -0.63 -2.21 0.00 0.00 174.62 172.46 1bwm s ILE 364 N 1.16 3.81 0.34 5.08 1.09 0.49 -2.70 121.20 130.47 1bwm s ILE 364 Ca 0.08 1.46 0.09 0.00 -1.10 0.00 0.00 60.65 61.18 1bwm s ILE 364 Cb -0.23 -3.80 -0.06 0.00 -1.06 0.00 0.00 42.46 37.31 1bwm s ILE 364 CO -0.04 0.09 -0.06 -0.36 -0.10 0.00 0.00 174.94 174.47 1bwm s PHE 365 N -1.58 2.45 -0.16 3.97 0.40 0.17 -0.02 117.98 123.21 1bwm s PHE 365 Ca 0.54 -0.48 0.00 0.00 -0.60 0.00 0.00 56.93 56.39 1bwm s PHE 365 Cb -0.23 -1.42 0.00 0.00 0.51 0.00 0.00 43.02 41.89 1bwm s PHE 365 CO 0.28 0.55 -0.16 0.12 0.70 0.00 0.00 175.22 176.72 1bwm s PHE 366 N -2.58 2.78 -0.37 0.36 5.36 -1.07 -2.61 117.98 119.85 1bwm s PHE 366 Ca 0.33 -1.16 -0.03 0.00 -0.96 0.00 0.00 56.93 55.11 1bwm s PHE 366 Cb 0.02 -1.90 0.09 0.00 -0.34 0.00 0.00 43.02 40.88 1bwm s PHE 366 CO 0.17 -0.55 0.14 -0.80 -1.46 0.00 0.00 175.22 172.72 1bwm s ASN 367 N 0.94 5.16 -0.08 6.13 -0.87 -0.45 -4.88 114.94 120.89 1bwm s ASN 367 Ca -0.03 -1.72 -0.26 0.00 -1.57 0.00 0.00 52.86 49.27 1bwm s ASN 367 Cb -0.15 -1.80 -0.25 0.00 -0.02 0.00 0.00 41.25 39.03 1bwm s ASN 367 CO -0.02 -0.44 0.95 0.11 -2.57 0.00 0.00 177.10 175.12 1bwm h LYS 368 N 8.05 0.09 -0.28 -0.60 1.57 -1.96 0.48 116.57 123.92 1bwm h LYS 368 Ca -0.16 -0.10 0.08 0.00 -1.87 0.00 0.00 60.65 58.59 1bwm h LYS 368 Cb 1.06 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.39 1bwm h LYS 368 CO 0.64 0.91 0.29 -0.09 -0.57 0.00 0.00 179.45 180.64 1bwm h ARG 369 N -0.69 0.00 -0.00 3.15 2.43 -1.97 -0.83 114.38 116.46 1bwm h ARG 369 Ca -0.02 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1bwm h ARG 369 Cb 0.97 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.52 1bwm h ARG 369 CO 0.03 0.00 -0.34 0.39 -1.51 0.00 0.00 179.97 178.54 1bwm n GLU 370 N -3.83 2.90 -3.59 0.20 -0.58 -1.22 -5.02 120.64 109.51 1bwm n GLU 370 Ca 0.04 -0.31 -0.25 0.00 -0.42 0.00 0.00 57.16 56.22 1bwm n GLU 370 Cb 0.44 -1.03 0.05 0.00 -0.57 0.00 0.00 31.44 30.33 1bwm n GLU 370 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1bwm n LYS 371 N -0.73 -2.36 -3.47 3.49 4.81 0.16 -4.99 118.16 115.07 1bwm n LYS 371 Ca 0.03 0.59 -0.11 0.00 -0.87 0.00 0.00 58.31 57.95 1bwm n LYS 371 Cb 0.19 -4.79 -0.02 0.00 0.02 0.00 0.00 35.03 30.43 1bwm n LYS 371 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 1bwm s LYS 372 N -5.61 1.33 -0.01 1.64 0.00 -0.68 -4.56 119.74 111.85 1bwm s LYS 372 Ca 0.35 -0.52 0.04 0.00 0.00 0.00 0.00 55.97 55.84 1bwm s LYS 372 Cb -0.10 0.59 -0.03 0.00 0.00 0.00 0.00 37.83 38.29 1bwm s LYS 372 CO 0.82 -0.59 -0.11 -0.48 0.00 0.00 0.00 175.35 174.99 1bwm s LEU 373 N -2.77 2.93 -0.08 2.77 2.34 -0.81 -1.34 118.68 121.72 1bwm s LEU 373 Ca 0.02 -0.20 0.01 0.00 0.06 0.00 0.00 54.13 54.02 1bwm s LEU 373 Cb -0.02 -1.67 0.02 0.00 -0.56 0.00 0.00 46.19 43.97 1bwm s LEU 373 CO -0.11 0.30 -0.09 -0.94 -1.06 0.00 0.00 176.35 174.45 1bwm s SER 374 N -1.16 1.87 0.05 1.48 1.04 -1.07 -1.08 113.70 114.82 1bwm s SER 374 Ca 0.14 -0.28 0.02 0.00 0.48 0.00 0.00 55.95 56.31 1bwm s SER 374 Cb -0.11 -0.80 -0.04 0.00 0.10 0.00 0.00 66.02 65.18 1bwm s SER 374 CO 0.04 -0.04 0.08 -0.22 0.98 0.00 0.00 173.24 174.08 1bwm s LEU 375 N 1.14 3.82 0.27 2.42 0.20 -0.90 0.46 118.68 126.10 1bwm s LEU 375 Ca -0.06 0.04 0.10 0.00 0.69 0.00 0.00 54.13 54.91 1bwm s LEU 375 Cb -0.14 -2.40 -0.05 0.00 -0.43 0.00 0.00 46.19 43.16 1bwm s LEU 375 CO -0.02 0.21 -0.17 -1.00 -0.29 0.00 0.00 176.35 175.08 1bwm s HIS 376 N -1.31 2.16 -0.34 5.38 3.76 -1.10 -1.92 115.29 121.92 1bwm s HIS 376 Ca 0.27 -0.42 0.03 0.00 -0.15 0.00 0.00 55.06 54.78 1bwm s HIS 376 Cb -0.12 -1.01 0.16 0.00 1.11 0.00 0.00 32.58 32.72 1bwm s HIS 376 CO 0.19 0.60 0.40 -1.50 -0.85 0.00 0.00 174.74 173.58 1bwm s ILE 377 N -2.65 -0.50 0.55 0.60 1.10 -1.04 -2.87 121.20 116.39 1bwm s ILE 377 Ca 0.29 -0.62 -0.16 0.00 -0.51 0.00 0.00 60.65 59.64 1bwm s ILE 377 Cb -0.03 -0.73 -0.06 0.00 0.15 0.00 0.00 42.46 41.79 1bwm s ILE 377 CO 0.13 -0.42 1.02 0.42 -2.11 0.00 0.00 174.94 173.98 1bwm s THR 378 N 1.91 4.19 -0.92 4.00 -4.23 -1.26 -2.61 115.64 116.73 1bwm s THR 378 Ca 0.14 1.06 -0.07 0.00 -1.18 0.00 0.00 61.69 61.64 1bwm s THR 378 Cb -0.13 -3.56 -0.01 0.00 1.34 0.00 0.00 72.50 70.14 1bwm s THR 378 CO -0.15 -0.59 0.73 0.47 -0.54 0.00 0.00 174.62 174.54 1bwm n ASP 379 N -1.73 -6.19 -4.95 3.99 9.92 -1.26 -4.93 116.55 111.40 1bwm n ASP 379 Ca 0.08 -0.65 -0.23 0.00 -0.53 0.00 0.00 54.79 53.45 1bwm n ASP 379 Cb 0.53 -3.79 0.00 0.00 -0.64 0.00 0.00 41.12 37.23 1bwm n ASP 379 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 1bwm s SER 380 N -3.18 5.98 0.03 -2.24 1.04 -0.83 -4.94 113.70 109.55 1bwm s SER 380 Ca 0.19 0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.92 1bwm s SER 380 Cb -0.06 -1.65 0.00 0.00 0.10 0.00 0.00 66.02 64.41 1bwm s SER 380 CO 0.82 -0.56 0.00 0.00 0.98 0.00 0.00 173.24 174.48 1bwm n GLN 381 N -1.96 0.00 -0.32 4.02 6.02 -1.26 -0.15 117.38 123.73 1bwm n GLN 381 Ca -0.00 0.00 -0.26 0.00 -0.01 0.00 0.00 57.00 56.73 1bwm n GLN 381 Cb 0.57 0.00 0.24 0.00 1.02 0.00 0.00 30.24 32.08 1bwm n GLN 381 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1bwm n PRO 382 N -2.76 -4.18 0.00 -1.09 -0.04 -1.26 -4.62 135.00 121.05 1bwm n PRO 382 Ca 0.00 -1.29 0.00 0.00 -0.04 0.00 0.00 63.50 62.17 1bwm n PRO 382 Cb 0.00 -1.58 0.00 0.00 -0.04 0.00 0.00 33.50 31.88 1bwm n PRO 382 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1bwm n GLY 383 N -4.72 3.42 3.79 0.55 0.00 -1.26 -4.89 105.19 102.07 1bwm n GLY 383 Ca 0.12 -0.80 -0.24 0.00 0.00 0.00 0.00 46.02 45.10 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 0.00 -1.69 -1.93 1.61 2.03 -1.26 -4.24 116.55 111.07 1bwm n ASP 384 Ca 0.00 -0.85 0.00 0.00 0.52 0.00 0.00 54.79 54.46 1bwm n ASP 384 Cb 0.00 -3.84 0.00 0.00 -0.72 0.00 0.00 41.12 36.56 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 -3.00 -7.32 -3.54 1.67 2.88 -1.26 -4.90 113.62 98.15 1bwm n SER 385 Ca -0.24 1.30 -0.16 0.00 -1.33 0.00 0.00 58.87 58.45 1bwm n SER 385 Cb 0.65 -3.96 -0.06 0.00 -0.75 0.00 0.00 64.21 60.09 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 -0.42 -1.82 -0.09 -1.46 0.00 -0.15 -4.25 121.76 113.57 1bwm s ALA 386 Ca 0.00 1.44 0.00 0.00 0.00 0.00 0.00 51.96 53.40 1bwm s ALA 386 Cb 0.00 -0.28 -0.03 0.00 0.00 0.00 0.00 23.12 22.81 1bwm s ALA 386 CO 0.00 -0.35 -0.07 0.95 0.00 0.00 0.00 175.76 176.29 1bwm s THR 387 N -1.07 3.65 -0.48 0.00 -4.23 0.48 -0.25 115.64 113.75 1bwm s THR 387 Ca -0.08 -0.48 -0.19 0.00 -1.18 0.00 0.00 61.69 59.76 1bwm s THR 387 Cb -0.00 -2.51 0.04 0.00 1.34 0.00 0.00 72.50 71.36 1bwm s THR 387 CO 0.07 0.57 0.61 -0.31 -0.54 0.00 0.00 174.62 175.02 1bwm s TYR 388 N -0.48 3.06 0.14 3.99 1.51 0.63 -0.05 117.35 126.15 1bwm s TYR 388 Ca 0.07 -0.36 -0.30 0.00 -1.01 0.00 0.00 57.07 55.47 1bwm s TYR 388 Cb -0.12 -3.40 -0.07 0.00 -0.11 0.00 0.00 41.96 38.26 1bwm s TYR 388 CO 0.02 -0.95 1.22 -0.06 -1.11 0.00 0.00 175.55 174.67 1bwm s PHE 389 N 2.65 3.42 -0.32 2.71 0.40 0.15 -1.24 117.98 125.76 1bwm s PHE 389 Ca 0.17 1.34 -0.01 0.00 -0.60 0.00 0.00 56.93 57.83 1bwm s PHE 389 Cb -0.17 -3.45 0.07 0.00 0.51 0.00 0.00 43.02 39.98 1bwm s PHE 389 CO 0.14 -1.34 0.02 0.00 0.70 0.00 0.00 175.22 174.75 1bwm s ALA 391 N 1.17 2.91 0.01 0.00 0.00 -1.26 -2.78 121.76 121.81 1bwm s ALA 391 Ca -0.02 -1.34 -0.03 0.00 0.00 0.00 0.00 51.96 50.57 1bwm s ALA 391 Cb -0.20 0.66 -0.01 0.00 0.00 0.00 0.00 23.12 23.57 1bwm s ALA 391 CO -0.03 -0.30 0.04 0.00 0.00 0.00 0.00 175.76 175.47 1bwm s ALA 392 N -3.20 -0.06 0.00 0.00 0.00 -0.78 -3.74 121.76 113.98 1bwm s ALA 392 Ca 0.25 -0.40 0.00 0.00 0.00 0.00 0.00 51.96 51.81 1bwm s ALA 392 Cb 0.04 0.13 0.00 0.00 0.00 0.00 0.00 23.12 23.29 1bwm s ALA 392 CO 0.14 -0.18 0.00 -2.37 0.00 0.00 0.00 175.76 173.35 1bwm n THR 393 N 1.55 0.00 0.00 0.00 5.66 -0.99 -1.37 114.28 119.14 1bwm n THR 393 Ca -0.23 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.77 1bwm n THR 393 Cb 0.55 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.33 1bwm n THR 393 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1bwm n GLY 399 N 5.00 3.31 0.00 1.09 0.00 -1.26 -3.82 105.19 109.50 1bwm n GLY 399 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 0.61 -4.80 1.61 7.64 -1.26 -4.83 113.62 112.60 1bwm n SER 400 Ca 0.00 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.51 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 1.77 3.58 -1.35 1.43 -0.12 -1.26 -4.41 117.98 117.62 1bwm s PHE 401 Ca 0.00 0.69 -0.05 0.00 -0.05 0.00 0.00 56.93 57.52 1bwm s PHE 401 Cb 0.00 -2.22 -0.00 0.00 -0.63 0.00 0.00 43.02 40.17 1bwm s PHE 401 CO 0.00 0.49 0.50 0.09 -0.05 0.00 0.00 175.22 176.25 1bwm n ASN 402 N 2.63 -1.34 -3.70 1.98 5.03 -1.26 -4.97 115.26 113.63 1bwm n ASN 402 Ca -0.15 -1.02 -0.12 0.00 0.87 0.00 0.00 54.58 54.17 1bwm n ASN 402 Cb 0.53 -3.09 -0.12 0.00 -1.02 0.00 0.00 39.78 36.08 1bwm n ASN 402 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 1bwm s LYS 403 N -6.47 0.26 -0.10 3.52 2.20 -1.26 -5.14 119.74 112.75 1bwm s LYS 403 Ca 0.10 0.68 -0.03 0.00 -0.36 0.00 0.00 55.97 56.36 1bwm s LYS 403 Cb -0.04 -0.05 0.05 0.00 -1.51 0.00 0.00 37.83 36.29 1bwm s LYS 403 CO 0.88 -0.19 0.16 -0.51 -0.36 0.00 0.00 175.35 175.33 1bwm s LEU 404 N 1.60 -0.05 -0.27 5.43 1.43 -1.26 -4.39 118.68 121.18 1bwm s LEU 404 Ca -0.07 0.21 -0.21 0.00 -1.03 0.00 0.00 54.13 53.03 1bwm s LEU 404 Cb -0.10 0.24 -0.01 0.00 0.03 0.00 0.00 46.19 46.34 1bwm s LEU 404 CO -0.10 -0.26 0.66 -0.89 0.23 0.00 0.00 176.35 175.99 1bwm s THR 405 N 2.28 4.95 0.44 5.49 2.01 -0.47 -4.82 115.64 125.52 1bwm s THR 405 Ca 0.04 1.14 0.01 0.00 0.31 0.00 0.00 61.69 63.18 1bwm s THR 405 Cb -0.13 -3.98 -0.00 0.00 0.01 0.00 0.00 72.50 68.40 1bwm s THR 405 CO -0.06 -0.03 0.66 -0.36 -0.69 0.00 0.00 174.62 174.13 1bwm s PHE 406 N 2.59 3.22 -0.34 4.92 0.08 -1.26 -1.87 117.98 125.32 1bwm s PHE 406 Ca 0.27 0.21 0.15 0.00 0.12 0.00 0.00 56.93 57.68 1bwm s PHE 406 Cb -0.15 -2.29 0.44 0.00 -0.57 0.00 0.00 43.02 40.45 1bwm s PHE 406 CO 0.09 -0.33 1.17 0.41 -0.10 0.00 0.00 175.22 176.46 1bwm n GLY 407 N -2.05 1.56 2.77 4.36 0.00 -1.12 -4.37 105.19 106.35 1bwm n GLY 407 Ca 0.01 -0.76 -0.02 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.49 -3.13 -1.00 4.61 0.00 -1.26 -3.64 120.51 115.60 1bwm n ALA 408 Ca 0.02 1.11 0.00 0.00 0.00 0.00 0.00 53.44 54.57 1bwm n ALA 408 Cb 0.83 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.99 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 1.35 -3.53 3.52 0.00 0.00 -1.26 -4.02 105.19 101.25 1bwm n GLY 409 Ca -0.16 -1.17 -0.34 0.00 0.00 0.00 0.00 46.02 44.36 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 -0.79 3.66 -0.30 2.61 2.01 -0.37 -4.70 115.64 117.75 1bwm s THR 410 Ca 0.00 -0.47 -0.24 0.00 0.31 0.00 0.00 61.69 61.29 1bwm s THR 410 Cb 0.00 -2.54 0.00 0.00 0.01 0.00 0.00 72.50 69.98 1bwm s THR 410 CO 0.00 0.55 0.82 -0.60 -0.69 0.00 0.00 174.62 174.71 1bwm s ARG 411 N -0.27 3.99 -0.11 4.92 3.52 -1.26 -0.27 118.95 129.47 1bwm s ARG 411 Ca 0.04 0.66 -0.01 0.00 -0.13 0.00 0.00 55.73 56.28 1bwm s ARG 411 Cb -0.13 -3.72 -0.03 0.00 -1.56 0.00 0.00 34.95 29.51 1bwm s ARG 411 CO 0.03 -0.69 -0.04 -0.51 -0.81 0.00 0.00 175.30 173.27 1bwm s LEU 412 N 3.02 3.27 0.00 -0.88 2.01 0.66 -0.20 118.68 126.57 1bwm s LEU 412 Ca 0.34 -0.04 0.02 0.00 0.01 0.00 0.00 54.13 54.45 1bwm s LEU 412 Cb -0.14 -1.75 -0.01 0.00 0.01 0.00 0.00 46.19 44.30 1bwm s LEU 412 CO 0.12 0.28 -0.05 0.00 1.01 0.00 0.00 176.35 177.72 1bwm s ALA 413 N -0.33 0.41 -0.27 4.21 0.00 -1.06 -0.98 121.76 123.74 1bwm s ALA 413 Ca 0.05 -0.30 -0.11 0.00 0.00 0.00 0.00 51.96 51.61 1bwm s ALA 413 Cb -0.12 -0.07 -0.05 0.00 0.00 0.00 0.00 23.12 22.88 1bwm s ALA 413 CO 0.02 0.07 0.18 0.08 0.00 0.00 0.00 175.76 176.12 1bwm s VAL 414 N -0.34 5.32 0.08 0.00 1.01 -1.26 -2.18 120.40 123.03 1bwm s VAL 414 Ca -0.00 0.17 -0.25 0.00 0.00 0.00 0.00 61.98 61.89 1bwm s VAL 414 Cb -0.03 -3.52 -0.06 0.00 0.00 0.00 0.00 36.38 32.77 1bwm s VAL 414 CO -0.00 0.28 0.78 -0.44 0.00 0.00 0.00 175.10 175.71 1bwm s SER 415 N 1.57 7.27 0.35 3.32 0.01 -1.21 -4.90 113.70 120.11 1bwm s SER 415 Ca 0.07 1.52 0.04 0.00 1.31 0.00 0.00 55.95 58.89 1bwm s SER 415 Cb -0.15 -2.48 0.64 0.00 0.21 0.00 0.00 66.02 64.24 1bwm s SER 415 CO 0.09 0.07 1.92 1.55 0.41 0.00 0.00 173.24 177.28 1bwm h PRO 416 N 5.27 0.56 0.00 12.44 0.14 -1.93 -3.38 132.00 145.10 1bwm h PRO 416 Ca -0.45 -0.10 0.00 0.00 0.14 0.00 0.00 66.00 65.60 1bwm h PRO 416 Cb 1.21 -0.09 0.00 0.00 0.14 0.00 0.00 31.00 32.25 1bwm h PRO 416 CO 0.69 0.53 0.00 0.98 0.14 0.00 0.00 178.00 180.34