#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 0.30 -4.09 0.00 3.14 -1.26 -4.43 118.33 111.99 1bwm n VAL 4 Ca 0.00 -0.32 -0.04 0.00 -2.96 0.00 0.00 64.34 61.01 1bwm n VAL 4 Cb 0.00 -2.06 -0.01 0.00 -1.06 0.00 0.00 33.84 30.71 1bwm n VAL 4 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 1bwm n THR 5 N 7.18 0.00 -3.78 1.55 -2.24 -1.10 -3.81 114.28 112.08 1bwm n THR 5 Ca 0.34 -0.42 -0.09 0.00 -2.27 0.00 0.00 64.05 61.61 1bwm n THR 5 Cb 0.33 0.15 -0.04 0.00 -2.10 0.00 0.00 70.33 68.66 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 -2.27 1.37 0.67 -0.78 -0.44 -1.22 -2.59 119.66 114.40 1bwm s GLN 6 Ca 0.04 -0.93 -0.17 0.00 -2.50 0.00 0.00 55.36 51.80 1bwm s GLN 6 Cb 0.00 0.50 -0.06 0.00 -1.64 0.00 0.00 33.01 31.82 1bwm s GLN 6 CO 0.03 -0.58 0.51 0.45 0.50 0.00 0.00 175.29 176.20 1bwm n SER 7 N -0.33 -1.18 -3.86 6.67 2.88 0.16 -4.81 113.62 113.15 1bwm n SER 7 Ca -0.09 0.64 0.00 0.00 -1.33 0.00 0.00 58.87 58.09 1bwm n SER 7 Cb 0.62 -1.20 0.00 0.00 -0.75 0.00 0.00 64.21 62.89 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 -0.44 1.43 0.00 -1.46 -0.05 -1.26 -4.29 135.00 128.93 1bwm n PRO 8 Ca 0.10 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.55 1bwm n PRO 8 Cb 0.49 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 33.94 1bwm n PRO 8 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 175.50 178.34 1bwm n ARG 9 N 0.00 1.65 -2.75 0.54 1.85 -1.26 -4.59 116.66 112.10 1bwm n ARG 9 Ca 0.00 0.00 -0.18 0.00 -1.00 0.00 0.00 57.85 56.67 1bwm n ARG 9 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 1bwm n ARG 9 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 1bwm n ASN 10 N 0.00 -4.72 -4.09 2.89 2.85 -1.26 -4.95 115.26 105.98 1bwm n ASN 10 Ca 0.00 -0.07 -0.30 0.00 -0.11 0.00 0.00 54.58 54.11 1bwm n ASN 10 Cb 0.00 -3.92 -0.17 0.00 1.24 0.00 0.00 39.78 36.94 1bwm n ASN 10 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 1bwm s LYS 11 N -5.38 2.44 0.24 1.20 2.20 -1.26 -5.13 119.74 114.06 1bwm s LYS 11 Ca 0.15 -0.64 0.08 0.00 -0.36 0.00 0.00 55.97 55.19 1bwm s LYS 11 Cb -0.07 -2.03 -0.05 0.00 -1.51 0.00 0.00 37.83 34.16 1bwm s LYS 11 CO 0.18 -0.04 -0.12 0.08 -0.36 0.00 0.00 175.35 175.09 1bwm s VAL 12 N 0.92 1.83 0.28 4.02 1.01 -1.26 -4.35 120.40 122.85 1bwm s VAL 12 Ca -0.07 -2.21 0.06 0.00 0.00 0.00 0.00 61.98 59.75 1bwm s VAL 12 Cb -0.15 -2.22 -0.06 0.00 0.00 0.00 0.00 36.38 33.95 1bwm s VAL 12 CO -0.01 -0.46 -0.04 0.00 0.00 0.00 0.00 175.10 174.58 1bwm s ALA 13 N -2.91 2.32 0.26 5.51 0.00 -1.06 -4.97 121.76 120.92 1bwm s ALA 13 Ca 0.26 -1.91 0.02 0.00 0.00 0.00 0.00 51.96 50.33 1bwm s ALA 13 Cb 0.00 0.26 0.02 0.00 0.00 0.00 0.00 23.12 23.40 1bwm s ALA 13 CO 0.10 -0.11 0.17 1.33 0.00 0.00 0.00 175.76 177.24 1bwm n VAL 14 N -0.59 0.00 -1.43 0.00 0.24 -1.26 -1.67 118.33 113.62 1bwm n VAL 14 Ca -0.05 -1.05 -0.55 0.00 -2.04 0.00 0.00 64.34 60.65 1bwm n VAL 14 Cb 0.64 -0.21 -0.09 0.00 -1.47 0.00 0.00 33.84 32.71 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 -1.04 0.14 -3.48 3.34 -1.04 -1.20 -0.59 114.28 110.41 1bwm n THR 15 Ca -0.02 -0.14 -0.19 0.00 -2.04 0.00 0.00 64.05 61.65 1bwm n THR 15 Cb 0.30 -1.18 0.06 0.00 -1.82 0.00 0.00 70.33 67.69 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 6.46 -0.67 0.00 3.41 0.00 0.15 -4.95 105.19 109.59 1bwm n GLY 16 Ca 0.43 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.76 1bwm n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bwm n GLY 17 N -1.36 0.92 3.62 -0.02 0.00 0.24 -4.71 105.19 103.88 1bwm n GLY 17 Ca -0.20 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.78 1bwm n GLY 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bwm s LYS 18 N 0.05 0.20 -0.20 1.61 1.02 -1.26 -4.81 119.74 116.34 1bwm s LYS 18 Ca 0.00 -0.06 -0.01 0.00 0.02 0.00 0.00 55.97 55.92 1bwm s LYS 18 Cb 0.00 0.09 0.06 0.00 -0.52 0.00 0.00 37.83 37.46 1bwm s LYS 18 CO 0.00 -0.08 -0.03 0.08 -0.92 0.00 0.00 175.35 174.40 1bwm s VAL 19 N -2.15 1.11 -0.27 3.17 1.01 -1.04 -4.77 120.40 117.46 1bwm s VAL 19 Ca 0.10 -0.86 -0.10 0.00 0.00 0.00 0.00 61.98 61.12 1bwm s VAL 19 Cb -0.01 -1.42 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 1bwm s VAL 19 CO -0.04 -0.08 0.15 -0.89 0.00 0.00 0.00 175.10 174.24 1bwm s THR 20 N 1.60 4.97 -0.28 3.92 2.01 -1.26 -2.35 115.64 124.25 1bwm s THR 20 Ca -0.03 0.05 -0.01 0.00 0.31 0.00 0.00 61.69 62.02 1bwm s THR 20 Cb -0.17 -3.35 0.09 0.00 0.01 0.00 0.00 72.50 69.07 1bwm s THR 20 CO -0.07 0.28 0.06 -0.76 -0.69 0.00 0.00 174.62 173.44 1bwm s LEU 21 N 1.70 2.27 -0.29 4.42 1.43 -0.75 -4.81 118.68 122.66 1bwm s LEU 21 Ca 0.07 -1.46 -0.08 0.00 -1.03 0.00 0.00 54.13 51.63 1bwm s LEU 21 Cb -0.16 -0.92 -0.01 0.00 0.03 0.00 0.00 46.19 45.14 1bwm s LEU 21 CO 0.08 -0.37 0.11 -0.44 0.23 0.00 0.00 176.35 175.97 1bwm s SER 22 N 1.58 5.31 -0.07 2.29 0.01 -1.26 -1.44 113.70 120.12 1bwm s SER 22 Ca 0.06 -0.51 0.03 0.00 1.31 0.00 0.00 55.95 56.84 1bwm s SER 22 Cb -0.18 -1.94 0.00 0.00 0.21 0.00 0.00 66.02 64.12 1bwm s SER 22 CO -0.18 -0.16 -0.17 0.00 0.41 0.00 0.00 173.24 173.15 1bwm s ASN 24 N 0.38 6.00 -0.02 0.00 3.84 -1.07 -2.40 114.94 121.66 1bwm s ASN 24 Ca -0.12 -0.14 -0.00 0.00 0.21 0.00 0.00 52.86 52.81 1bwm s ASN 24 Cb -0.15 -1.31 0.03 0.00 -0.55 0.00 0.00 41.25 39.27 1bwm s ASN 24 CO 0.04 -0.41 0.03 -1.58 -2.79 0.00 0.00 177.10 172.40 1bwm s GLN 25 N -4.17 -0.03 -0.31 0.43 0.74 0.11 -2.70 119.66 113.72 1bwm s GLN 25 Ca 0.44 0.21 0.01 0.00 0.05 0.00 0.00 55.36 56.07 1bwm s GLN 25 Cb -0.09 -0.29 0.11 0.00 1.10 0.00 0.00 33.01 33.83 1bwm s GLN 25 CO 0.31 -0.19 1.14 -2.37 -0.55 0.00 0.00 175.29 173.63 1bwm n THR 26 N 4.33 0.00 -1.98 -0.34 5.66 -1.26 -4.17 114.28 116.51 1bwm n THR 26 Ca -0.25 -0.55 0.03 0.00 -3.05 0.00 0.00 64.05 60.24 1bwm n THR 26 Cb 0.50 0.66 0.13 0.00 -1.55 0.00 0.00 70.33 70.07 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 -0.22 1.63 -2.39 1.09 4.13 -1.26 -4.66 115.26 113.58 1bwm n ASN 27 Ca -0.24 -3.17 -0.14 0.00 1.68 0.00 0.00 54.58 52.71 1bwm n ASN 27 Cb 0.66 -0.44 0.05 0.00 -1.54 0.00 0.00 39.78 38.51 1bwm n ASN 27 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1bwm n ASN 28 N -0.51 -4.27 -3.90 6.41 5.15 -1.26 -4.90 115.26 111.97 1bwm n ASN 28 Ca 0.15 -0.33 -0.29 0.00 -0.60 0.00 0.00 54.58 53.51 1bwm n ASN 28 Cb 0.87 -3.25 -0.16 0.00 -0.53 0.00 0.00 39.78 36.71 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 -3.20 1.90 -0.58 1.20 3.76 -1.26 -4.16 115.29 112.95 1bwm s HIS 29 Ca 0.30 -1.28 0.07 0.00 -0.15 0.00 0.00 55.06 54.01 1bwm s HIS 29 Cb -0.13 -1.40 0.44 0.00 1.11 0.00 0.00 32.58 32.60 1bwm s HIS 29 CO 0.44 -0.67 1.19 -1.71 -0.85 0.00 0.00 174.74 173.14 1bwm n ASN 30 N 4.82 3.55 -3.76 1.40 4.05 -1.23 -4.83 115.26 119.27 1bwm n ASN 30 Ca -0.12 -2.52 -0.13 0.00 0.45 0.00 0.00 54.58 52.27 1bwm n ASN 30 Cb 0.47 -0.60 -0.13 0.00 1.23 0.00 0.00 39.78 40.75 1bwm n ASN 30 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 177.26 174.41 1bwm s ASN 31 N -0.41 -0.24 0.03 1.20 -0.87 -1.24 -4.58 114.94 108.83 1bwm s ASN 31 Ca 0.29 0.48 0.07 0.00 -1.57 0.00 0.00 52.86 52.13 1bwm s ASN 31 Cb 0.23 0.41 -0.02 0.00 -0.02 0.00 0.00 41.25 41.85 1bwm s ASN 31 CO 0.08 -0.13 -0.20 -0.04 -2.57 0.00 0.00 177.10 174.25 1bwm s MET 32 N 0.81 1.41 0.09 -0.60 -1.94 0.23 -2.41 119.30 116.89 1bwm s MET 32 Ca -0.06 -0.85 0.09 0.00 -1.71 0.00 0.00 55.69 53.16 1bwm s MET 32 Cb -0.07 -1.46 -0.03 0.00 2.01 0.00 0.00 34.83 35.27 1bwm s MET 32 CO -0.05 0.38 -0.23 0.71 -0.01 0.00 0.00 175.02 175.82 1bwm s TYR 33 N -0.70 1.99 -0.19 -0.03 2.02 0.44 -2.59 117.35 118.29 1bwm s TYR 33 Ca 0.07 -0.40 0.00 0.00 -0.37 0.00 0.00 57.07 56.37 1bwm s TYR 33 Cb -0.08 -1.11 0.02 0.00 -0.40 0.00 0.00 41.96 40.38 1bwm s TYR 33 CO 0.01 0.21 -0.18 -1.58 -1.57 0.00 0.00 175.55 172.44 1bwm s TRP 34 N -1.03 2.81 0.37 2.71 0.52 -1.07 -2.66 118.94 120.59 1bwm s TRP 34 Ca 0.09 -1.55 0.06 0.00 0.02 0.00 0.00 56.10 54.72 1bwm s TRP 34 Cb -0.10 -1.95 -0.07 0.00 -1.15 0.00 0.00 33.47 30.20 1bwm s TRP 34 CO 0.04 -0.77 0.03 0.71 0.02 0.00 0.00 176.95 176.98 1bwm s TYR 35 N 1.32 2.27 0.06 -1.98 2.02 -1.08 -2.65 117.35 117.30 1bwm s TYR 35 Ca 0.05 -0.80 0.01 0.00 -0.37 0.00 0.00 57.07 55.96 1bwm s TYR 35 Cb -0.13 -1.56 -0.03 0.00 -0.40 0.00 0.00 41.96 39.84 1bwm s TYR 35 CO -0.12 0.25 -0.05 1.03 -1.57 0.00 0.00 175.55 175.09 1bwm s ARG 36 N -3.79 0.63 0.06 -0.62 0.52 -0.91 -1.71 118.95 113.12 1bwm s ARG 36 Ca 0.36 -1.09 0.08 0.00 -0.52 0.00 0.00 55.73 54.55 1bwm s ARG 36 Cb 0.09 -0.03 -0.03 0.00 0.52 0.00 0.00 34.95 35.50 1bwm s ARG 36 CO 0.17 -0.04 -0.19 -1.14 0.02 0.00 0.00 175.30 174.11 1bwm s GLN 37 N -3.12 1.95 0.00 3.54 2.00 -1.03 -2.37 119.66 120.63 1bwm s GLN 37 Ca 0.02 -1.05 0.00 0.00 -2.00 0.00 0.00 55.36 52.33 1bwm s GLN 37 Cb 0.01 -2.14 0.00 0.00 0.80 0.00 0.00 33.01 31.69 1bwm s GLN 37 CO -0.05 0.52 0.00 -0.25 -0.50 0.00 0.00 175.29 175.01 1bwm n ASP 38 N 1.40 0.00 -2.03 6.67 8.00 -1.26 -3.90 116.55 125.43 1bwm n ASP 38 Ca -0.16 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.34 1bwm n ASP 38 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.62 1bwm n ASP 38 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1bwm n THR 39 N -1.21 0.00 -0.07 -3.53 -2.24 -1.26 -4.88 114.28 101.09 1bwm n THR 39 Ca 0.00 0.00 0.24 0.00 -2.27 0.00 0.00 64.05 62.02 1bwm n THR 39 Cb 0.00 -1.68 0.71 0.00 -2.10 0.00 0.00 70.33 67.27 1bwm n THR 39 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1bwm h GLY 40 N 0.00 0.00 0.00 3.38 0.00 -2.01 -3.32 103.07 101.12 1bwm h GLY 40 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1bwm h GLY 40 CO 0.00 0.00 -0.27 1.42 0.00 0.00 0.00 176.54 177.69 1bwm n HIS 41 N -4.23 -0.23 0.00 5.60 8.25 -1.26 -5.03 115.22 118.32 1bwm n HIS 41 Ca 0.14 0.04 0.00 0.00 -0.26 0.00 0.00 57.72 57.64 1bwm n HIS 41 Cb 0.78 0.07 0.00 0.00 1.12 0.00 0.00 29.99 31.96 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 3.12 0.64 2.20 -1.41 0.00 -1.25 -4.45 105.19 104.03 1bwm n GLY 42 Ca 0.00 0.70 0.00 0.00 0.00 0.00 0.00 46.02 46.72 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 -6.29 -3.66 0.99 -0.00 -1.01 -4.64 117.00 102.39 1bwm n LEU 43 Ca 0.00 2.92 -0.06 0.00 -0.00 0.00 0.00 56.01 58.87 1bwm n LEU 43 Cb 0.00 -3.15 -0.08 0.00 -0.00 0.00 0.00 43.42 40.20 1bwm n LEU 43 CO 0.00 -2.40 0.15 -0.60 -0.00 0.00 0.00 177.39 174.54 1bwm s ARG 44 N -0.69 0.47 0.25 1.96 3.52 -1.00 -4.82 118.95 118.65 1bwm s ARG 44 Ca 0.00 1.14 -0.30 0.00 -0.13 0.00 0.00 55.73 56.45 1bwm s ARG 44 Cb 0.00 0.39 -0.09 0.00 -1.56 0.00 0.00 34.95 33.69 1bwm s ARG 44 CO 0.00 -0.20 1.12 -1.17 -0.81 0.00 0.00 175.30 174.24 1bwm s LEU 45 N 2.30 4.52 0.00 -0.88 2.96 -1.26 -2.13 118.68 124.19 1bwm s LEU 45 Ca -0.06 2.26 0.00 0.00 -0.22 0.00 0.00 54.13 56.11 1bwm s LEU 45 Cb -0.10 -3.62 0.00 0.00 0.50 0.00 0.00 46.19 42.97 1bwm s LEU 45 CO -0.16 -0.20 0.00 2.30 -1.32 0.00 0.00 176.35 176.97 1bwm n ILE 46 N 1.53 0.00 -4.44 6.68 -0.00 -1.09 -3.58 119.36 118.46 1bwm n ILE 46 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 62.75 62.51 1bwm n ILE 46 Cb 0.45 -0.06 -0.10 0.00 -0.00 0.00 0.00 39.64 39.93 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 -1.08 2.36 -0.08 4.28 3.76 -1.24 0.12 115.29 123.42 1bwm s HIS 47 Ca 0.00 -0.31 -0.16 0.00 -0.15 0.00 0.00 55.06 54.44 1bwm s HIS 47 Cb 0.00 -1.03 0.03 0.00 1.11 0.00 0.00 32.58 32.69 1bwm s HIS 47 CO 0.00 0.69 0.38 -0.47 -0.85 0.00 0.00 174.74 174.48 1bwm s TYR 48 N -2.42 -0.33 0.11 1.40 5.04 0.13 -2.59 117.35 118.70 1bwm s TYR 48 Ca 0.30 0.68 -0.26 0.00 -2.44 0.00 0.00 57.07 55.35 1bwm s TYR 48 Cb -0.05 0.14 0.08 0.00 0.35 0.00 0.00 41.96 42.48 1bwm s TYR 48 CO 0.15 -0.33 1.06 0.45 -1.34 0.00 0.00 175.55 175.55 1bwm s SER 49 N -0.64 -0.12 0.16 4.32 0.15 -1.07 0.11 113.70 116.61 1bwm s SER 49 Ca -0.07 -0.38 0.00 0.00 0.70 0.00 0.00 55.95 56.20 1bwm s SER 49 Cb -0.04 0.40 0.00 0.00 -1.71 0.00 0.00 66.02 64.68 1bwm s SER 49 CO 0.03 -0.76 0.00 -1.22 1.20 0.00 0.00 173.24 172.49 1bwm n TYR 50 N -0.52 -1.27 0.00 3.44 4.02 -1.21 -0.60 117.16 121.01 1bwm n TYR 50 Ca -0.06 0.22 0.00 0.00 -0.01 0.00 0.00 57.90 58.06 1bwm n TYR 50 Cb 0.61 0.40 0.00 0.00 -0.02 0.00 0.00 39.34 40.33 1bwm n TYR 50 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1bwm n GLY 51 N 2.04 3.09 2.84 2.72 0.00 -1.26 -4.15 105.19 110.47 1bwm n GLY 51 Ca 0.00 -0.46 -0.01 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.80 -3.01 -3.77 4.61 0.00 -1.25 -4.05 120.51 112.23 1bwm n ALA 52 Ca 0.00 0.69 -0.30 0.00 0.00 0.00 0.00 53.44 53.83 1bwm n ALA 52 Cb 0.00 -1.51 0.02 0.00 0.00 0.00 0.00 19.45 17.96 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 1.15 -1.09 2.79 0.00 0.00 -0.03 -4.90 105.19 103.11 1bwm n GLY 53 Ca -0.07 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.42 1bwm n GLY 53 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1bwm n SER 54 N -2.41 1.49 -4.74 1.61 3.41 -1.26 -5.05 113.62 106.67 1bwm n SER 54 Ca -0.17 -2.02 -0.41 0.00 -0.26 0.00 0.00 58.87 56.01 1bwm n SER 54 Cb 0.61 -0.45 -0.03 0.00 -0.26 0.00 0.00 64.21 64.08 1bwm n SER 54 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1bwm s THR 55 N -3.60 3.45 0.03 6.66 -4.23 -1.26 -3.35 115.64 113.34 1bwm s THR 55 Ca 0.27 1.21 -0.05 0.00 -1.18 0.00 0.00 61.69 61.94 1bwm s THR 55 Cb 0.32 -3.78 -0.01 0.00 1.34 0.00 0.00 72.50 70.38 1bwm s THR 55 CO -0.05 0.19 0.09 -1.61 -0.54 0.00 0.00 174.62 172.71 1bwm s GLU 56 N -0.24 0.56 0.49 3.99 0.41 0.29 -4.95 118.70 119.25 1bwm s GLU 56 Ca 0.54 -0.72 -0.08 0.00 -0.41 0.00 0.00 54.97 54.30 1bwm s GLU 56 Cb -0.34 0.22 -0.05 0.00 -1.78 0.00 0.00 34.13 32.19 1bwm s GLU 56 CO 0.37 -0.14 0.83 0.15 -0.49 0.00 0.00 175.26 175.98 1bwm s LYS 57 N -2.46 3.62 0.00 1.61 -0.14 -1.26 0.22 119.74 121.33 1bwm s LYS 57 Ca -0.06 0.38 0.00 0.00 -1.36 0.00 0.00 55.97 54.93 1bwm s LYS 57 Cb -0.02 -2.32 0.00 0.00 -1.68 0.00 0.00 37.83 33.81 1bwm s LYS 57 CO -0.04 -0.22 0.00 0.41 -0.76 0.00 0.00 175.35 174.74 1bwm n GLY 58 N -2.07 0.34 1.47 -3.33 0.00 0.32 -4.32 105.19 97.60 1bwm n GLY 58 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.19 0.11 -4.00 1.61 -0.08 -1.23 -4.74 116.55 108.03 1bwm n ASP 59 Ca 0.00 0.07 -0.32 0.00 -1.51 0.00 0.00 54.79 53.03 1bwm n ASP 59 Cb 0.00 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 43.36 1bwm n ASP 59 CO 0.00 0.00 0.00 0.27 0.12 0.00 0.00 177.20 177.59 1bwm s ILE 60 N -1.21 3.36 1.41 5.18 -4.36 -1.26 -5.08 121.20 119.24 1bwm s ILE 60 Ca 0.00 -3.72 -0.22 0.00 -0.26 0.00 0.00 60.65 56.45 1bwm s ILE 60 Cb 0.00 -3.18 0.36 0.00 1.25 0.00 0.00 42.46 40.89 1bwm s ILE 60 CO 0.00 -0.96 0.92 -2.16 0.24 0.00 0.00 174.94 172.99 1bwm s PRO 61 N -0.92 -2.87 -0.48 0.37 0.04 -1.26 -4.93 135.00 124.95 1bwm s PRO 61 Ca 0.22 0.25 0.06 0.00 0.04 0.00 0.00 61.00 61.57 1bwm s PRO 61 Cb -0.13 -1.37 0.27 0.00 0.04 0.00 0.00 34.50 33.31 1bwm s PRO 61 CO -0.09 -4.86 0.98 -0.25 0.04 0.00 0.00 177.00 172.82 1bwm n ASP 62 N -5.64 -2.61 -3.47 6.66 9.92 -1.26 -4.96 116.55 115.19 1bwm n ASP 62 Ca 0.11 -3.47 -0.22 0.00 -0.53 0.00 0.00 54.79 50.68 1bwm n ASP 62 Cb 0.59 1.84 0.08 0.00 -0.64 0.00 0.00 41.12 42.99 1bwm n ASP 62 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1bwm n GLY 63 N 1.09 -0.47 3.73 0.44 0.00 -1.26 -4.84 105.19 103.88 1bwm n GLY 63 Ca 0.08 0.20 -0.35 0.00 0.00 0.00 0.00 46.02 45.94 1bwm n GLY 63 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1bwm s TYR 65 N -3.32 3.32 -0.11 1.61 2.02 -1.26 -3.74 117.35 115.86 1bwm s TYR 65 Ca 0.45 0.26 0.01 0.00 -0.37 0.00 0.00 57.07 57.42 1bwm s TYR 65 Cb -0.20 -1.91 -0.02 0.00 -0.40 0.00 0.00 41.96 39.43 1bwm s TYR 65 CO 0.71 0.47 -0.14 0.21 -1.57 0.00 0.00 175.55 175.23 1bwm s LYS 66 N -0.59 3.22 0.06 -0.62 2.47 0.17 -4.96 119.74 119.49 1bwm s LYS 66 Ca 0.11 -0.69 0.05 0.00 -1.56 0.00 0.00 55.97 53.88 1bwm s LYS 66 Cb -0.12 -2.58 -0.03 0.00 -1.46 0.00 0.00 37.83 33.65 1bwm s LYS 66 CO 0.02 0.29 -0.15 0.00 0.16 0.00 0.00 175.35 175.67 1bwm s ALA 67 N 0.16 1.27 0.02 3.13 0.00 -1.26 0.41 121.76 125.48 1bwm s ALA 67 Ca -0.07 -0.94 0.01 0.00 0.00 0.00 0.00 51.96 50.96 1bwm s ALA 67 Cb -0.15 -0.17 -0.01 0.00 0.00 0.00 0.00 23.12 22.79 1bwm s ALA 67 CO 0.05 0.23 -0.05 -1.12 0.00 0.00 0.00 175.76 174.86 1bwm s SER 68 N -1.41 0.58 -0.54 0.00 0.01 -0.31 -4.94 113.70 107.09 1bwm s SER 68 Ca 0.01 -0.30 0.05 0.00 1.31 0.00 0.00 55.95 57.02 1bwm s SER 68 Cb -0.09 -0.00 0.18 0.00 0.21 0.00 0.00 66.02 66.32 1bwm s SER 68 CO 0.02 -0.09 0.43 -1.14 0.41 0.00 0.00 173.24 172.87 1bwm n ARG 69 N 2.26 0.97 -0.35 12.44 3.00 -1.26 -2.64 116.66 131.08 1bwm n ARG 69 Ca -0.18 -3.76 -0.01 0.00 -0.00 0.00 0.00 57.85 53.91 1bwm n ARG 69 Cb 0.57 -1.91 0.12 0.00 0.00 0.00 0.00 32.46 31.24 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 5.37 1.16 -3.86 -0.14 0.13 -1.98 -0.04 132.00 132.64 1bwm h PRO 70 Ca 0.21 -0.07 -0.10 0.00 -0.87 0.00 0.00 66.00 65.17 1bwm h PRO 70 Cb 0.83 -0.26 -0.15 0.00 0.13 0.00 0.00 31.00 31.55 1bwm h PRO 70 CO 0.53 0.77 -0.45 -1.12 -0.23 0.00 0.00 178.00 177.50 1bwm s SER 71 N -5.96 0.19 0.57 1.44 0.01 -1.22 -4.63 113.70 104.10 1bwm s SER 71 Ca -0.13 -0.67 0.27 0.00 1.31 0.00 0.00 55.95 56.73 1bwm s SER 71 Cb 0.18 0.29 1.55 0.00 0.21 0.00 0.00 66.02 68.25 1bwm s SER 71 CO 0.81 -0.66 2.06 1.56 0.41 0.00 0.00 173.24 177.42 1bwm h GLN 72 N 3.01 0.00 0.00 12.44 4.20 -1.86 -1.26 115.11 131.64 1bwm h GLN 72 Ca -0.34 0.00 -0.28 0.00 0.06 0.00 0.00 58.65 58.10 1bwm h GLN 72 Cb 1.19 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.92 1bwm h GLN 72 CO 0.56 0.00 -1.65 0.93 -0.67 0.00 0.00 178.83 178.00 1bwm h GLU 73 N 0.00 0.00 -5.15 1.46 5.08 -1.96 -3.41 114.58 110.60 1bwm h GLU 73 Ca 0.13 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.87 1bwm h GLU 73 Cb 0.64 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.74 1bwm h GLU 73 CO -0.00 0.49 -0.52 1.21 -1.00 0.00 0.00 179.01 179.19 1bwm s ASN 74 N -6.08 6.01 -0.26 1.42 3.84 -0.47 0.06 114.94 119.45 1bwm s ASN 74 Ca -0.04 0.12 -0.05 0.00 0.21 0.00 0.00 52.86 53.10 1bwm s ASN 74 Cb 0.08 -2.07 0.14 0.00 -0.55 0.00 0.00 41.25 38.85 1bwm s ASN 74 CO 0.82 0.10 0.51 0.12 -2.79 0.00 0.00 177.10 175.87 1bwm s PHE 75 N 0.82 -1.18 0.06 0.43 5.36 -1.01 -3.37 117.98 119.09 1bwm s PHE 75 Ca 0.07 1.57 -0.03 0.00 -0.96 0.00 0.00 56.93 57.57 1bwm s PHE 75 Cb -0.13 0.42 -0.03 0.00 -0.34 0.00 0.00 43.02 42.94 1bwm s PHE 75 CO 0.02 -0.71 0.04 -1.54 -1.46 0.00 0.00 175.22 171.57 1bwm s SER 76 N 2.73 0.37 0.14 6.13 1.04 -1.08 -1.90 113.70 121.13 1bwm s SER 76 Ca 0.09 -0.87 -0.12 0.00 0.48 0.00 0.00 55.95 55.53 1bwm s SER 76 Cb -0.14 0.24 0.01 0.00 0.10 0.00 0.00 66.02 66.23 1bwm s SER 76 CO -0.17 -0.62 0.32 -1.48 0.98 0.00 0.00 173.24 172.27 1bwm s LEU 77 N -2.83 0.81 0.33 2.42 0.05 -0.52 -1.16 118.68 117.79 1bwm s LEU 77 Ca 0.05 -0.63 -0.04 0.00 0.05 0.00 0.00 54.13 53.56 1bwm s LEU 77 Cb 0.06 1.45 0.01 0.00 -2.05 0.00 0.00 46.19 45.66 1bwm s LEU 77 CO -0.10 -0.87 0.49 0.27 -0.55 0.00 0.00 176.35 175.59 1bwm s ILE 78 N -3.89 0.00 0.15 1.48 -0.00 0.16 -1.80 121.20 117.30 1bwm s ILE 78 Ca 0.10 -1.54 0.03 0.00 -0.00 0.00 0.00 60.65 59.23 1bwm s ILE 78 Cb 0.03 -2.61 -0.05 0.00 -0.00 0.00 0.00 42.46 39.83 1bwm s ILE 78 CO -0.06 0.00 -0.05 -0.22 -0.00 0.00 0.00 174.94 174.61 1bwm s LEU 79 N -3.20 2.36 0.00 0.37 0.20 -0.99 0.43 118.68 117.85 1bwm s LEU 79 Ca 0.29 -1.08 0.00 0.00 0.69 0.00 0.00 54.13 54.02 1bwm s LEU 79 Cb -0.01 -0.17 0.00 0.00 -0.43 0.00 0.00 46.19 45.58 1bwm s LEU 79 CO 0.18 -0.46 0.44 -0.62 -0.29 0.00 0.00 176.35 175.60 1bwm n GLU 80 N -0.19 0.34 -3.41 1.98 1.02 -1.25 -2.50 120.64 116.63 1bwm n GLU 80 Ca -0.09 -0.53 -0.26 0.00 -0.02 0.00 0.00 57.16 56.26 1bwm n GLU 80 Cb 0.62 -0.71 -0.09 0.00 -0.02 0.00 0.00 31.44 31.24 1bwm n GLU 80 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1bwm n LEU 81 N -0.09 0.92 -4.82 -4.62 4.32 -1.26 -4.76 117.00 106.68 1bwm n LEU 81 Ca 0.00 -4.77 -0.38 0.00 -0.02 0.00 0.00 56.01 50.84 1bwm n LEU 81 Cb 0.26 0.19 -0.06 0.00 -1.62 0.00 0.00 43.42 42.19 1bwm n LEU 81 CO 0.00 1.94 0.09 0.00 -1.22 0.00 0.00 177.39 178.20 1bwm s ALA 82 N -0.98 3.68 0.32 -1.18 0.00 -1.26 -4.94 121.76 117.40 1bwm s ALA 82 Ca 0.33 -0.26 0.09 0.00 0.00 0.00 0.00 51.96 52.12 1bwm s ALA 82 Cb 0.09 -2.38 -0.06 0.00 0.00 0.00 0.00 23.12 20.76 1bwm s ALA 82 CO -0.14 0.42 -0.09 0.95 0.00 0.00 0.00 175.76 176.91 1bwm s THR 83 N -0.83 2.03 0.00 0.00 -4.23 -1.26 0.33 115.64 111.69 1bwm s THR 83 Ca 0.23 -2.19 -0.01 0.00 -1.18 0.00 0.00 61.69 58.54 1bwm s THR 83 Cb -0.16 -2.56 -0.05 0.00 1.34 0.00 0.00 72.50 71.07 1bwm s THR 83 CO 0.12 -0.25 1.22 -0.81 -0.54 0.00 0.00 174.62 174.36 1bwm n PRO 84 N -0.71 0.57 0.00 3.99 -0.05 -1.26 -2.55 135.00 134.99 1bwm n PRO 84 Ca -0.05 -0.18 0.00 0.00 -0.05 0.00 0.00 63.50 63.21 1bwm n PRO 84 Cb 0.63 -1.49 0.00 0.00 -0.05 0.00 0.00 33.50 32.59 1bwm n PRO 84 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 175.50 175.90 1bwm n SER 85 N 2.29 0.00 0.00 3.54 2.88 -1.26 -5.01 113.62 116.05 1bwm n SER 85 Ca 0.08 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.62 1bwm n SER 85 Cb 0.27 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.73 1bwm n SER 85 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1bwm n GLN 86 N 0.00 0.00 -0.58 -1.46 1.13 -1.06 -5.11 117.38 110.30 1bwm n GLN 86 Ca 0.00 0.00 -0.29 0.00 -1.94 0.00 0.00 57.00 54.77 1bwm n GLN 86 Cb 0.00 -0.47 0.19 0.00 0.11 0.00 0.00 30.24 30.07 1bwm n GLN 86 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 1bwm n THR 87 N -0.86 0.00 -3.46 5.09 -1.04 -1.26 -4.99 114.28 107.77 1bwm n THR 87 Ca 0.00 -0.25 0.00 0.00 -2.04 0.00 0.00 64.05 61.76 1bwm n THR 87 Cb 0.00 -0.66 0.00 0.00 -1.82 0.00 0.00 70.33 67.85 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 -2.30 0.00 -4.49 8.00 7.64 -0.87 -4.95 113.62 116.65 1bwm n SER 88 Ca 0.03 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.54 1bwm n SER 88 Cb 0.57 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.65 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 -3.03 4.62 0.04 0.44 1.01 -1.25 -2.22 120.40 120.01 1bwm s VAL 89 Ca 0.00 -0.07 -0.19 0.00 0.00 0.00 0.00 61.98 61.73 1bwm s VAL 89 Cb 0.00 -3.17 -0.06 0.00 0.00 0.00 0.00 36.38 33.15 1bwm s VAL 89 CO 0.00 0.32 0.54 -0.31 0.00 0.00 0.00 175.10 175.65 1bwm s TYR 90 N 1.62 3.76 -0.04 5.22 2.02 0.49 -2.46 117.35 127.97 1bwm s TYR 90 Ca 0.06 1.19 0.06 0.00 -0.37 0.00 0.00 57.07 58.02 1bwm s TYR 90 Cb -0.15 -2.48 -0.01 0.00 -0.40 0.00 0.00 41.96 38.92 1bwm s TYR 90 CO 0.06 0.54 -0.22 -0.06 -1.57 0.00 0.00 175.55 174.30 1bwm s PHE 91 N -0.87 2.10 -0.32 2.71 0.08 -0.70 -1.78 117.98 119.21 1bwm s PHE 91 Ca 0.28 -0.54 0.04 0.00 0.12 0.00 0.00 56.93 56.83 1bwm s PHE 91 Cb -0.19 -1.38 0.09 0.00 -0.57 0.00 0.00 43.02 40.98 1bwm s PHE 91 CO 0.17 -0.14 0.03 0.00 -0.10 0.00 0.00 175.22 175.18 1bwm s ALA 93 N 0.98 2.47 -0.03 0.00 0.00 -1.09 -3.64 121.76 120.45 1bwm s ALA 93 Ca 0.08 -1.22 0.02 0.00 0.00 0.00 0.00 51.96 50.83 1bwm s ALA 93 Cb -0.19 -0.64 0.01 0.00 0.00 0.00 0.00 23.12 22.30 1bwm s ALA 93 CO -0.09 0.56 -0.06 -1.54 0.00 0.00 0.00 175.76 174.63 1bwm s SER 94 N -1.36 0.93 0.42 0.00 1.04 -1.26 -0.42 113.70 113.04 1bwm s SER 94 Ca 0.13 -0.14 0.06 0.00 0.48 0.00 0.00 55.95 56.49 1bwm s SER 94 Cb -0.10 -0.33 -0.07 0.00 0.10 0.00 0.00 66.02 65.61 1bwm s SER 94 CO 0.04 0.00 0.02 -0.83 0.98 0.00 0.00 173.24 173.45 1bwm s GLY 95 N 0.49 2.57 0.00 7.32 0.00 -1.01 -2.55 107.32 114.14 1bwm s GLY 95 Ca -0.07 -2.07 0.00 0.00 0.00 0.00 0.00 44.72 42.59 1bwm s GLY 95 CO 0.00 -2.11 0.00 0.61 0.00 0.00 0.00 173.10 171.61 1bwm n GLY 96 N -1.02 0.96 3.55 0.20 0.00 -1.26 -3.49 105.19 104.14 1bwm n GLY 96 Ca -0.07 -1.74 -0.34 0.00 0.00 0.00 0.00 46.02 43.88 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 1.61 2.76 0.00 1.61 -1.52 -1.26 -4.63 119.66 118.23 1bwm s GLN 97 Ca 0.00 -0.58 0.00 0.00 -1.95 0.00 0.00 55.36 52.83 1bwm s GLN 97 Cb 0.00 -2.57 0.00 0.00 -0.22 0.00 0.00 33.01 30.22 1bwm s GLN 97 CO 0.00 0.62 0.00 0.41 -0.25 0.00 0.00 175.29 176.07 1bwm n GLY 98 N 2.33 0.77 3.03 3.09 0.00 -1.26 -4.83 105.19 108.32 1bwm n GLY 98 Ca -0.18 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.71 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 0.00 -2.24 -4.20 1.61 0.63 -1.26 -5.02 116.66 106.17 1bwm n ARG 99 Ca 0.00 1.92 -0.19 0.00 -0.92 0.00 0.00 57.85 58.67 1bwm n ARG 99 Cb 0.00 -4.10 -0.12 0.00 0.45 0.00 0.00 32.46 28.69 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 -1.91 1.33 0.57 5.13 0.00 -1.26 -5.07 121.76 120.56 1bwm s ALA 104 Ca 0.20 -1.12 -0.17 0.00 0.00 0.00 0.00 51.96 50.87 1bwm s ALA 104 Cb -0.04 -0.10 -0.04 0.00 0.00 0.00 0.00 23.12 22.94 1bwm s ALA 104 CO 0.70 0.16 1.06 -1.83 0.00 0.00 0.00 175.76 175.85 1bwm s GLU 105 N -2.09 3.36 0.44 0.00 -1.05 -1.26 -4.74 118.70 113.36 1bwm s GLU 105 Ca 0.02 1.29 -0.18 0.00 -0.15 0.00 0.00 54.97 55.95 1bwm s GLU 105 Cb -0.08 -2.03 -0.09 0.00 -0.44 0.00 0.00 34.13 31.48 1bwm s GLU 105 CO 0.03 -0.78 0.92 -0.65 0.95 0.00 0.00 175.26 175.72 1bwm s GLN 106 N -3.85 4.07 -0.52 -4.83 1.11 -1.26 -4.51 119.66 109.87 1bwm s GLN 106 Ca 0.65 0.95 0.07 0.00 0.01 0.00 0.00 55.36 57.05 1bwm s GLN 106 Cb -0.17 -2.22 0.33 0.00 -1.01 0.00 0.00 33.01 29.95 1bwm s GLN 106 CO 0.33 -0.08 0.87 1.19 0.01 0.00 0.00 175.29 177.61 1bwm n PHE 107 N -0.96 2.91 -1.64 0.91 3.72 -1.06 -4.53 117.46 116.81 1bwm n PHE 107 Ca 0.06 -3.95 -0.34 0.00 -0.05 0.00 0.00 57.45 53.17 1bwm n PHE 107 Cb 0.54 -0.47 0.07 0.00 -0.94 0.00 0.00 39.48 38.67 1bwm n PHE 107 CO 0.00 0.00 0.00 -0.59 -0.05 0.00 0.00 176.76 176.12 1bwm s PHE 108 N -3.09 2.34 0.00 1.38 -0.12 -1.25 -4.43 117.98 112.80 1bwm s PHE 108 Ca 0.46 1.57 0.00 0.00 -0.05 0.00 0.00 56.93 58.91 1bwm s PHE 108 Cb 0.29 -3.34 0.00 0.00 -0.63 0.00 0.00 43.02 39.34 1bwm s PHE 108 CO -0.12 -2.15 0.00 0.41 -0.05 0.00 0.00 175.22 173.32 1bwm n GLY 109 N 0.01 2.09 3.56 1.99 0.00 -1.24 -4.92 105.19 106.68 1bwm n GLY 109 Ca 0.12 -1.97 -0.14 0.00 0.00 0.00 0.00 46.02 44.04 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 3.42 1.57 0.54 1.61 0.01 -1.26 -4.82 135.00 136.06 1bwm s PRO 110 Ca 0.00 0.41 -0.09 0.00 0.01 0.00 0.00 61.00 61.33 1bwm s PRO 110 Cb 0.00 -4.80 0.13 0.00 0.01 0.00 0.00 34.50 29.84 1bwm s PRO 110 CO 0.00 -4.54 0.30 0.41 0.01 0.00 0.00 177.00 173.19 1bwm n GLY 111 N 6.77 -3.45 3.45 0.52 0.00 -1.26 -3.87 105.19 107.35 1bwm n GLY 111 Ca 0.46 -1.13 -0.28 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.36 2.54 -0.12 2.61 2.01 -0.73 -4.73 115.64 115.86 1bwm s THR 112 Ca 0.23 -1.83 -0.04 0.00 0.31 0.00 0.00 61.69 60.37 1bwm s THR 112 Cb -0.04 -2.20 0.05 0.00 0.01 0.00 0.00 72.50 70.32 1bwm s THR 112 CO 0.20 -0.04 0.09 0.00 -0.69 0.00 0.00 174.62 174.18 1bwm s ARG 113 N -2.48 0.01 0.01 4.92 1.04 -1.26 -0.38 118.95 120.82 1bwm s ARG 113 Ca 0.19 0.14 -0.01 0.00 -1.04 0.00 0.00 55.73 55.02 1bwm s ARG 113 Cb -0.09 -1.22 -0.01 0.00 -2.04 0.00 0.00 34.95 31.59 1bwm s ARG 113 CO 0.10 -0.52 -0.01 -0.48 -0.04 0.00 0.00 175.30 174.35 1bwm s LEU 114 N 2.17 2.13 -0.02 -1.89 0.05 -0.94 -4.60 118.68 115.57 1bwm s LEU 114 Ca 0.03 -0.38 0.06 0.00 0.05 0.00 0.00 54.13 53.89 1bwm s LEU 114 Cb -0.14 0.15 -0.01 0.00 -2.05 0.00 0.00 46.19 44.13 1bwm s LEU 114 CO -0.07 -0.26 -0.21 -0.89 -0.55 0.00 0.00 176.35 174.37 1bwm s THR 115 N -1.21 1.67 -0.10 5.48 2.01 -1.26 -2.06 115.64 120.17 1bwm s THR 115 Ca -0.13 -0.89 -0.14 0.00 0.31 0.00 0.00 61.69 60.83 1bwm s THR 115 Cb -0.08 -1.40 -0.05 0.00 0.01 0.00 0.00 72.50 70.98 1bwm s THR 115 CO -0.01 0.47 0.34 -0.69 -0.69 0.00 0.00 174.62 174.05 1bwm s VAL 116 N -0.38 5.23 0.00 3.82 1.01 -1.26 -2.55 120.40 126.27 1bwm s VAL 116 Ca 0.05 0.66 0.00 0.00 0.00 0.00 0.00 61.98 62.69 1bwm s VAL 116 Cb -0.09 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.63 1bwm s VAL 116 CO 0.00 0.46 0.00 -0.11 0.00 0.00 0.00 175.10 175.45 1bwm n LEU 116 N 2.90 0.00 0.00 3.92 7.94 -0.67 -4.47 117.00 126.62 1bwm n LEU 116 Ca -0.13 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.77 1bwm n LEU 116 Cb 0.52 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.47 1bwm n LEU 116 CO 0.39 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.28 1bwm n GLY 201 N 5.00 3.79 3.67 -3.96 0.00 -1.26 -3.21 105.19 109.21 1bwm n GLY 201 Ca 0.00 -1.39 -0.35 0.00 0.00 0.00 0.00 46.02 44.28 1bwm n GLY 201 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bwm s SER 202 N 0.00 5.52 -0.01 1.61 1.04 -1.26 -4.85 113.70 115.74 1bwm s SER 202 Ca 0.00 0.13 -0.17 0.00 0.48 0.00 0.00 55.95 56.39 1bwm s SER 202 Cb 0.00 -1.81 -0.06 0.00 0.10 0.00 0.00 66.02 64.25 1bwm s SER 202 CO 0.00 0.27 0.46 -1.81 0.98 0.00 0.00 173.24 173.14 1bwm s ASP 203 N -0.19 6.83 -0.01 7.02 1.11 -1.26 -5.03 116.67 125.15 1bwm s ASP 203 Ca 0.07 0.99 -0.30 0.00 0.18 0.00 0.00 52.55 53.49 1bwm s ASP 203 Cb -0.12 -2.28 -0.06 0.00 1.07 0.00 0.00 42.92 41.53 1bwm s ASP 203 CO 0.02 0.23 1.50 -0.31 1.18 0.00 0.00 175.17 177.78 1bwm s TYR 204 N -0.63 2.56 0.43 4.23 1.51 -1.26 -5.01 117.35 119.18 1bwm s TYR 204 Ca 0.25 0.59 0.08 0.00 -1.01 0.00 0.00 57.07 56.98 1bwm s TYR 204 Cb -0.17 -3.77 -0.01 0.00 -0.11 0.00 0.00 41.96 37.90 1bwm s TYR 204 CO 0.14 -2.99 0.39 0.15 -1.11 0.00 0.00 175.55 172.13 1bwm s LYS 205 N 2.92 2.52 0.18 -0.62 1.02 -1.26 -5.14 119.74 119.36 1bwm s LYS 205 Ca 0.67 -1.56 -0.05 0.00 0.02 0.00 0.00 55.97 55.06 1bwm s LYS 205 Cb -0.33 -2.38 -0.03 0.00 -0.52 0.00 0.00 37.83 34.58 1bwm s LYS 205 CO 0.27 -0.23 0.20 -0.51 -0.92 0.00 0.00 175.35 174.16 1bwm s ASP 206 N -4.16 0.13 0.00 2.83 1.01 -1.26 -5.17 116.67 110.05 1bwm s ASP 206 Ca 0.48 -1.16 0.00 0.00 0.71 0.00 0.00 52.55 52.58 1bwm s ASP 206 Cb -0.03 0.40 0.00 0.00 1.01 0.00 0.00 42.92 44.30 1bwm s ASP 206 CO 0.28 -0.87 0.00 -0.67 0.21 0.00 0.00 175.17 174.12 1bwm n ASP 207 N -0.23 0.00 -4.74 0.27 2.03 -1.26 -5.14 116.55 107.49 1bwm n ASP 207 Ca -0.02 -0.68 -0.31 0.00 0.52 0.00 0.00 54.79 54.29 1bwm n ASP 207 Cb 0.64 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.96 1bwm n ASP 207 CO 0.00 0.00 0.00 1.51 -1.92 0.00 0.00 177.20 176.79 1bwm s ASP 208 N -0.05 4.12 -0.29 1.67 1.47 -1.26 -5.07 116.67 117.26 1bwm s ASP 208 Ca 0.00 -1.53 0.12 0.00 1.18 0.00 0.00 52.55 52.32 1bwm s ASP 208 Cb 0.00 0.24 0.47 0.00 -0.34 0.00 0.00 42.92 43.29 1bwm s ASP 208 CO 0.00 -0.76 1.15 0.47 0.68 0.00 0.00 175.17 176.72 1bwm n ASP 209 N -1.22 3.84 -4.56 2.11 9.92 -1.26 -5.06 116.55 120.32 1bwm n ASP 209 Ca -0.14 -3.22 -0.31 0.00 -0.53 0.00 0.00 54.79 50.59 1bwm n ASP 209 Cb 0.67 -0.39 -0.07 0.00 -0.64 0.00 0.00 41.12 40.68 1bwm n ASP 209 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1bwm s LYS 210 N -3.64 2.15 -0.37 -1.24 1.02 -1.26 -5.07 119.74 111.33 1bwm s LYS 210 Ca 0.43 -2.38 0.07 0.00 0.02 0.00 0.00 55.97 54.12 1bwm s LYS 210 Cb 0.38 -1.24 0.44 0.00 -0.52 0.00 0.00 37.83 36.90 1bwm s LYS 210 CO 0.00 -0.44 1.14 0.54 -0.92 0.00 0.00 175.35 175.67 1bwm n ARG 211 N -1.20 3.35 0.11 1.68 1.74 -1.26 -4.79 116.66 116.30 1bwm n ARG 211 Ca -0.17 -4.29 -0.02 0.00 -0.77 0.00 0.00 57.85 52.61 1bwm n ARG 211 Cb 0.66 -2.20 0.20 0.00 -1.02 0.00 0.00 32.46 30.10 1bwm n ARG 211 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 1bwm h SER 212 N 2.44 0.16 0.00 0.55 0.02 -2.03 -3.48 113.55 111.21 1bwm h SER 212 Ca 0.30 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 1bwm h SER 212 Cb 1.19 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.69 1bwm h SER 212 CO 0.78 0.65 0.00 0.61 -1.14 0.00 0.00 176.83 177.73 1bwm n GLY 213 N 0.03 1.43 2.79 -3.77 0.00 -1.26 -5.13 105.19 99.28 1bwm n GLY 213 Ca -0.02 0.29 0.01 0.00 0.00 0.00 0.00 46.02 46.30 1bwm n GLY 213 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bwm s GLY 214 N 0.00 -1.59 0.00 -0.02 0.00 -1.26 -5.14 107.32 99.31 1bwm s GLY 214 Ca 0.00 1.01 0.00 0.00 0.00 0.00 0.00 44.72 45.73 1bwm s GLY 214 CO 0.00 4.24 0.00 0.61 0.00 0.00 0.00 173.10 177.95 1bwm n GLY 215 N 3.53 2.82 0.12 0.20 0.00 -1.26 -5.04 105.19 105.56 1bwm n GLY 215 Ca 0.07 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.35 3.29 7.00 -0.02 0.00 -1.26 -5.10 105.19 108.75 1bwm n GLY 216 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.52 -1.36 0.00 1.61 2.88 -1.26 -4.91 113.62 110.06 1bwm n SER 217 Ca 0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 1bwm n SER 217 Cb 0.35 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.81 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 0.00 -1.56 0.00 0.46 0.00 -1.26 -5.16 105.19 97.67 1bwm n GLY 218 Ca 0.00 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.54 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 2.05 0.00 -0.02 0.00 -1.26 -5.18 105.19 100.77 1bwm n GLY 219 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 4.37 0.00 -0.02 0.00 -1.26 -5.16 105.19 103.13 1bwm n GLY 220 Ca 0.00 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 44.08 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 2.76 0.55 3.00 -0.02 0.00 -1.26 -5.08 105.19 105.14 1bwm n GLY 221 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1bwm n GLY 221 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1bwm n SER 222 N 0.00 0.24 0.00 1.61 7.64 -1.26 -5.07 113.62 116.78 1bwm n SER 222 Ca 0.00 -1.46 0.00 0.00 1.01 0.00 0.00 58.87 58.42 1bwm n SER 222 Cb 0.00 -0.74 0.00 0.00 -1.01 0.00 0.00 64.21 62.46 1bwm n SER 222 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bwm n GLY 223 N -1.63 -0.64 0.00 0.23 0.00 -1.26 -5.06 105.19 96.83 1bwm n GLY 223 Ca 0.13 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 4.35 0.00 -0.02 0.00 -1.26 -5.09 105.19 103.17 1bwm n GLY 224 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.20 1bwm n GLY 224 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1bwm n SER 225 N 0.00 0.19 0.00 1.61 3.41 -1.26 -4.98 113.62 112.59 1bwm n SER 225 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1bwm n SER 225 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1bwm n SER 225 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1bwm n GLY 226 N 0.55 2.81 0.00 5.00 0.00 -1.26 -5.15 105.19 107.13 1bwm n GLY 226 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.26 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 0.00 0.00 0.00 4.61 0.00 -1.26 -5.17 120.51 118.69 1bwm n ALA 227 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1bwm n ALA 227 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 0.00 -0.01 0.00 7.27 -1.26 -5.16 117.38 118.22 1bwm n GLN 301 Ca 0.00 0.00 -0.09 0.00 0.07 0.00 0.00 57.00 56.98 1bwm n GLN 301 Cb 0.00 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 32.62 1bwm n GLN 301 CO 0.00 0.00 0.00 -0.56 0.07 0.00 0.00 177.06 176.57 1bwm h GLN 302 N 0.00 -0.17 -6.14 3.69 3.07 -1.94 -3.40 115.11 110.21 1bwm h GLN 302 Ca 0.00 0.01 -0.65 0.00 0.09 0.00 0.00 58.65 58.10 1bwm h GLN 302 Cb 0.00 0.04 0.01 0.00 0.08 0.00 0.00 27.48 27.60 1bwm h GLN 302 CO 0.00 -0.12 1.19 0.28 0.09 0.00 0.00 178.83 180.27 1bwm n VAL 303 N -5.30 0.40 -4.00 1.86 0.31 -1.25 -3.48 118.33 106.86 1bwm n VAL 303 Ca -0.03 -0.17 -0.31 0.00 -0.01 0.00 0.00 64.34 63.83 1bwm n VAL 303 Cb 0.21 -1.73 -0.15 0.00 -0.91 0.00 0.00 33.84 31.26 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 4.79 1.55 0.92 5.55 3.52 -1.09 -4.19 118.95 130.00 1bwm s ARG 304 Ca 0.99 -1.69 -0.11 0.00 -0.13 0.00 0.00 55.73 54.79 1bwm s ARG 304 Cb -0.79 -3.04 0.12 0.00 -1.56 0.00 0.00 34.95 29.68 1bwm s ARG 304 CO 0.53 -0.87 0.95 0.00 -0.81 0.00 0.00 175.30 175.09 1bwm n GLN 305 N 4.34 -0.40 -1.63 5.12 -0.00 -1.24 -1.15 117.38 122.43 1bwm n GLN 305 Ca -0.00 -0.06 -0.52 0.00 -0.00 0.00 0.00 57.00 56.43 1bwm n GLN 305 Cb 0.42 -2.24 -0.06 0.00 -0.00 0.00 0.00 30.24 28.37 1bwm n GLN 305 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1bwm n SER 306 N -3.42 2.09 -4.75 2.61 2.88 0.19 -4.83 113.62 108.39 1bwm n SER 306 Ca 0.11 1.10 -0.37 0.00 -1.33 0.00 0.00 58.87 58.37 1bwm n SER 306 Cb 0.52 -1.23 0.04 0.00 -0.75 0.00 0.00 64.21 62.79 1bwm n SER 306 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1bwm s PRO 307 N 1.18 3.03 -1.23 -1.46 0.05 -1.26 -2.25 135.00 133.05 1bwm s PRO 307 Ca 0.86 2.08 0.00 0.00 0.05 0.00 0.00 61.00 63.99 1bwm s PRO 307 Cb -0.91 -2.11 0.00 0.00 0.05 0.00 0.00 34.50 31.52 1bwm s PRO 307 CO 0.48 -1.23 0.00 0.94 0.05 0.00 0.00 177.00 177.24 1bwm n GLN 308 N -1.29 -1.66 0.00 4.56 -0.06 -1.26 -4.78 117.38 112.89 1bwm n GLN 308 Ca 0.12 0.90 0.00 0.00 -2.00 0.00 0.00 57.00 56.02 1bwm n GLN 308 Cb 0.47 -5.32 0.00 0.00 -4.06 0.00 0.00 30.24 21.33 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 -1.18 -0.51 -3.56 1.69 3.41 -0.96 -4.94 113.62 107.58 1bwm n SER 309 Ca -0.12 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 58.43 1bwm n SER 309 Cb 0.60 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.52 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 0.00 -0.24 0.09 1.04 0.20 -1.22 -5.00 118.68 113.56 1bwm s LEU 310 Ca 0.00 0.02 0.09 0.00 0.69 0.00 0.00 54.13 54.93 1bwm s LEU 310 Cb 0.00 1.65 -0.03 0.00 -0.43 0.00 0.00 46.19 47.38 1bwm s LEU 310 CO 0.00 -0.38 -0.22 -0.89 -0.29 0.00 0.00 176.35 174.56 1bwm s THR 311 N -2.59 1.82 -1.76 3.68 2.01 -1.26 -1.35 115.64 116.20 1bwm s THR 311 Ca 0.07 -1.48 0.26 0.00 0.31 0.00 0.00 61.69 60.84 1bwm s THR 311 Cb -0.01 -1.62 0.19 0.00 0.01 0.00 0.00 72.50 71.07 1bwm s THR 311 CO -0.06 0.06 1.46 0.52 -0.69 0.00 0.00 174.62 175.91 1bwm n VAL 312 N 1.30 0.00 -1.30 3.82 0.31 -1.09 -4.89 118.33 116.47 1bwm n VAL 312 Ca -0.18 -0.14 -0.10 0.00 -0.01 0.00 0.00 64.34 63.90 1bwm n VAL 312 Cb 0.53 0.57 -0.04 0.00 -0.91 0.00 0.00 33.84 33.98 1bwm n VAL 312 CO 0.00 0.00 0.00 1.87 -1.32 0.00 0.00 176.83 177.38 1bwm n TRP 313 N -0.59 0.00 -2.90 3.52 -0.00 -1.26 -2.98 117.44 113.24 1bwm n TRP 313 Ca 0.11 0.00 -0.01 0.00 -0.00 0.00 0.00 57.50 57.60 1bwm n TRP 313 Cb 0.37 -2.73 -0.01 0.00 -0.00 0.00 0.00 31.31 28.94 1bwm n TRP 313 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 177.69 175.78 1bwm n GLU 314 N -0.72 -2.36 0.00 5.87 2.13 -1.26 -4.44 120.64 119.86 1bwm n GLU 314 Ca -0.10 2.06 0.00 0.00 0.66 0.00 0.00 57.16 59.78 1bwm n GLU 314 Cb 0.59 -3.46 0.00 0.00 0.27 0.00 0.00 31.44 28.84 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 1.19 3.50 3.62 8.31 0.00 -0.98 -4.96 105.19 115.88 1bwm n GLY 315 Ca -0.05 -0.91 -0.28 0.00 0.00 0.00 0.00 46.02 44.78 1bwm n GLY 315 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1bwm s GLU 316 N 0.00 -0.02 1.03 1.61 0.41 -1.16 -4.16 118.70 116.42 1bwm s GLU 316 Ca 0.00 0.59 -0.16 0.00 -0.41 0.00 0.00 54.97 54.99 1bwm s GLU 316 Cb 0.00 -1.68 0.21 0.00 -1.78 0.00 0.00 34.13 30.88 1bwm s GLU 316 CO 0.00 -3.05 1.20 -0.08 -0.49 0.00 0.00 175.26 172.83 1bwm s THR 317 N -2.82 1.86 0.00 3.63 -1.32 -1.26 -4.46 115.64 111.26 1bwm s THR 317 Ca 0.66 0.00 0.03 0.00 -1.21 0.00 0.00 61.69 61.17 1bwm s THR 317 Cb -0.20 -2.75 -0.01 0.00 -1.51 0.00 0.00 72.50 68.03 1bwm s THR 317 CO 0.60 0.00 -0.10 -0.89 -2.21 0.00 0.00 174.62 172.02 1bwm s THR 318 N -3.41 0.78 -0.31 5.08 2.01 0.22 -4.75 115.64 115.27 1bwm s THR 318 Ca 0.70 -0.51 -0.01 0.00 0.31 0.00 0.00 61.69 62.17 1bwm s THR 318 Cb -0.09 -0.67 0.10 0.00 0.01 0.00 0.00 72.50 71.85 1bwm s THR 318 CO 0.54 0.16 0.10 -0.63 -0.69 0.00 0.00 174.62 174.10 1bwm s ILE 319 N -0.36 0.75 0.52 1.82 1.01 -1.26 -1.52 121.20 122.15 1bwm s ILE 319 Ca 0.03 -1.30 -0.05 0.00 0.00 0.00 0.00 60.65 59.32 1bwm s ILE 319 Cb -0.05 -1.57 -0.02 0.00 0.01 0.00 0.00 42.46 40.84 1bwm s ILE 319 CO -0.00 -0.68 0.83 -0.76 0.00 0.00 0.00 174.94 174.33 1bwm s LEU 320 N 1.68 3.48 -0.26 2.97 1.02 -1.07 -4.91 118.68 121.60 1bwm s LEU 320 Ca 0.09 0.83 -0.02 0.00 0.02 0.00 0.00 54.13 55.05 1bwm s LEU 320 Cb -0.17 -3.73 0.13 0.00 0.02 0.00 0.00 46.19 42.43 1bwm s LEU 320 CO -0.27 -0.76 0.30 0.20 0.02 0.00 0.00 176.35 175.84 1bwm s ASN 321 N -4.19 1.23 0.35 2.29 0.01 -1.26 -2.64 114.94 110.74 1bwm s ASN 321 Ca 0.50 -0.41 0.06 0.00 -0.71 0.00 0.00 52.86 52.30 1bwm s ASN 321 Cb -0.10 0.64 -0.01 0.00 0.41 0.00 0.00 41.25 42.19 1bwm s ASN 321 CO 0.45 -0.35 0.50 0.00 -1.51 0.00 0.00 177.10 176.18 1bwm s SER 323 N -4.19 2.69 0.11 0.00 0.15 -0.30 -1.12 113.70 111.05 1bwm s SER 323 Ca 0.46 -1.76 -0.23 0.00 0.70 0.00 0.00 55.95 55.12 1bwm s SER 323 Cb -0.10 0.62 0.08 0.00 -1.71 0.00 0.00 66.02 64.91 1bwm s SER 323 CO 0.32 -1.02 1.10 0.00 1.20 0.00 0.00 173.24 174.84 1bwm n TYR 324 N -0.90 -1.02 -1.99 3.44 4.11 -1.23 -2.67 117.16 116.89 1bwm n TYR 324 Ca -0.03 -1.07 -0.06 0.00 -0.00 0.00 0.00 57.90 56.74 1bwm n TYR 324 Cb 0.64 0.51 -0.06 0.00 -0.00 0.00 0.00 39.34 40.44 1bwm n TYR 324 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.86 174.95 1bwm n GLU 325 N -0.78 0.00 -4.00 -3.48 2.13 -1.26 -4.84 120.64 108.40 1bwm n GLU 325 Ca 0.00 -0.81 -0.10 0.00 0.66 0.00 0.00 57.16 56.92 1bwm n GLU 325 Cb 0.57 0.41 -0.08 0.00 0.27 0.00 0.00 31.44 32.62 1bwm n GLU 325 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1bwm s ASP 326 N -0.81 0.09 0.00 4.31 1.11 -1.26 -5.05 116.67 115.07 1bwm s ASP 326 Ca 0.00 -0.95 0.16 0.00 0.18 0.00 0.00 52.55 51.94 1bwm s ASP 326 Cb 0.00 0.41 0.27 0.00 1.07 0.00 0.00 42.92 44.67 1bwm s ASP 326 CO 0.00 -0.86 1.10 -1.20 1.18 0.00 0.00 175.17 175.39 1bwm n SER 327 N -0.19 0.61 -2.07 0.27 7.64 -1.26 -4.84 113.62 113.78 1bwm n SER 327 Ca -0.07 -1.99 -0.10 0.00 1.01 0.00 0.00 58.87 57.72 1bwm n SER 327 Cb 0.63 -0.25 0.28 0.00 -1.01 0.00 0.00 64.21 63.86 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 0.32 3.02 -4.48 0.44 5.66 -1.26 -4.95 114.28 113.02 1bwm n THR 328 Ca 0.03 -1.72 -0.27 0.00 -3.05 0.00 0.00 64.05 59.04 1bwm n THR 328 Cb 0.98 -0.39 -0.10 0.00 -1.55 0.00 0.00 70.33 69.28 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 -3.08 2.54 -0.18 1.09 0.08 -1.26 -4.33 117.98 112.83 1bwm s PHE 329 Ca 0.56 -0.63 0.02 0.00 0.12 0.00 0.00 56.93 57.00 1bwm s PHE 329 Cb 0.45 -1.79 -0.12 0.00 -0.57 0.00 0.00 43.02 40.99 1bwm s PHE 329 CO 0.13 0.40 -0.14 -3.47 -0.10 0.00 0.00 175.22 172.03 1bwm n ASP 330 N -1.02 2.53 -2.94 1.36 2.03 0.30 -4.91 116.55 113.89 1bwm n ASP 330 Ca -0.04 -0.09 -0.14 0.00 0.52 0.00 0.00 54.79 55.04 1bwm n ASP 330 Cb 0.66 -0.20 -0.02 0.00 -0.72 0.00 0.00 41.12 40.84 1bwm n ASP 330 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1bwm n TYR 331 N -2.99 -1.58 -3.69 -0.67 0.18 -0.74 -4.34 117.16 103.33 1bwm n TYR 331 Ca -0.31 -2.25 -0.30 0.00 1.88 0.00 0.00 57.90 56.92 1bwm n TYR 331 Cb 0.85 0.60 -0.15 0.00 -0.38 0.00 0.00 39.34 40.26 1bwm n TYR 331 CO 0.00 0.00 0.00 -0.06 -2.08 0.00 0.00 176.86 174.72 1bwm s PHE 332 N -2.85 1.51 -0.53 -3.48 0.40 -1.25 -1.76 117.98 110.02 1bwm s PHE 332 Ca 0.27 -1.69 -0.26 0.00 -0.60 0.00 0.00 56.93 54.64 1bwm s PHE 332 Cb -0.02 -1.59 -0.07 0.00 0.51 0.00 0.00 43.02 41.85 1bwm s PHE 332 CO 0.19 -0.86 2.39 -2.14 0.70 0.00 0.00 175.22 175.50 1bwm s PRO 333 N 1.52 2.06 -1.17 0.24 0.01 -1.23 -4.23 135.00 132.20 1bwm s PRO 333 Ca 0.11 1.27 -0.21 0.00 0.01 0.00 0.00 61.00 62.18 1bwm s PRO 333 Cb -0.18 -4.60 -0.05 0.00 0.01 0.00 0.00 34.50 29.68 1bwm s PRO 333 CO -0.23 -3.39 1.90 0.91 0.01 0.00 0.00 177.00 176.20 1bwm n TRP 334 N 16.11 3.16 -0.53 6.54 7.02 -1.05 -3.98 117.44 144.70 1bwm n TRP 334 Ca 0.37 -1.96 -0.29 0.00 -1.02 0.00 0.00 57.50 54.60 1bwm n TRP 334 Cb 0.54 -2.49 0.26 0.00 -2.42 0.00 0.00 31.31 27.20 1bwm n TRP 334 CO 0.00 0.00 0.00 0.71 -2.02 0.00 0.00 177.69 176.38 1bwm s TYR 335 N 7.97 0.68 -0.38 -5.99 1.51 -0.57 -2.71 117.35 117.86 1bwm s TYR 335 Ca 0.62 0.92 0.03 0.00 -1.01 0.00 0.00 57.07 57.63 1bwm s TYR 335 Cb 0.04 -3.04 0.16 0.00 -0.11 0.00 0.00 41.96 39.00 1bwm s TYR 335 CO 0.11 -4.26 0.37 0.50 -1.11 0.00 0.00 175.55 171.15 1bwm s ARG 336 N -4.72 0.68 -0.04 -0.62 3.52 -0.89 -0.67 118.95 116.20 1bwm s ARG 336 Ca 0.68 -1.05 -0.29 0.00 -0.13 0.00 0.00 55.73 54.95 1bwm s ARG 336 Cb -0.20 -0.82 -0.02 0.00 -1.56 0.00 0.00 34.95 32.34 1bwm s ARG 336 CO 0.62 -1.22 0.95 -0.65 -0.81 0.00 0.00 175.30 174.19 1bwm s GLN 337 N 1.23 4.50 0.34 5.12 -0.21 -0.89 -3.46 119.66 126.28 1bwm s GLN 337 Ca 0.19 1.34 0.05 0.00 0.02 0.00 0.00 55.36 56.97 1bwm s GLN 337 Cb -0.14 -3.49 -0.01 0.00 1.00 0.00 0.00 33.01 30.37 1bwm s GLN 337 CO -0.03 -0.13 0.49 -0.06 -2.12 0.00 0.00 175.29 173.44 1bwm s PHE 338 N 1.32 3.17 0.48 0.91 0.08 -1.26 -1.85 117.98 120.83 1bwm s PHE 338 Ca 0.49 -0.13 0.16 0.00 0.12 0.00 0.00 56.93 57.57 1bwm s PHE 338 Cb -0.20 -1.99 1.15 0.00 -0.57 0.00 0.00 43.02 41.42 1bwm s PHE 338 CO 0.24 -0.01 2.07 -1.35 -0.10 0.00 0.00 175.22 176.07 1bwm h PRO 339 N 0.86 0.00 0.00 0.24 0.11 -1.82 -3.41 132.00 127.97 1bwm h PRO 339 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1bwm h PRO 339 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1bwm h PRO 339 CO 0.54 0.10 0.00 0.41 -0.21 0.00 0.00 178.00 178.84 1bwm n GLY 340 N -1.24 0.04 2.27 -0.55 0.00 -1.26 -5.01 105.19 99.44 1bwm n GLY 340 Ca -0.03 -0.23 -0.19 0.00 0.00 0.00 0.00 46.02 45.58 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 0.00 0.87 -2.76 1.61 4.76 -1.26 -4.96 118.16 116.42 1bwm n LYS 341 Ca 0.00 -3.10 -0.10 0.00 -2.87 0.00 0.00 58.31 52.25 1bwm n LYS 341 Cb 0.00 -1.46 0.08 0.00 -1.84 0.00 0.00 35.03 31.82 1bwm n LYS 341 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1bwm n SER 342 N 0.78 -2.06 -3.28 4.39 2.88 -1.26 -5.03 113.62 110.04 1bwm n SER 342 Ca 0.21 -3.57 -0.31 0.00 -1.33 0.00 0.00 58.87 53.88 1bwm n SER 342 Cb 0.61 1.67 0.29 0.00 -0.75 0.00 0.00 64.21 66.04 1bwm n SER 342 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1bwm n PRO 343 N 0.29 -4.66 0.00 -1.46 -0.04 -1.26 -4.75 135.00 123.12 1bwm n PRO 343 Ca 0.07 -1.52 0.00 0.00 -0.04 0.00 0.00 63.50 62.01 1bwm n PRO 343 Cb 0.71 -1.87 0.00 0.00 -0.04 0.00 0.00 33.50 32.30 1bwm n PRO 343 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bwm n ALA 344 N -5.71 0.00 -1.69 0.55 0.00 -1.22 -4.97 120.51 107.46 1bwm n ALA 344 Ca -0.20 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 52.90 1bwm n ALA 344 Cb 0.60 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.06 1bwm n ALA 344 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1bwm s LEU 345 N 0.00 3.64 -0.04 0.00 2.96 -1.26 -2.10 118.68 121.87 1bwm s LEU 345 Ca 0.00 2.04 -0.06 0.00 -0.22 0.00 0.00 54.13 55.89 1bwm s LEU 345 Cb 0.00 -4.56 -0.02 0.00 0.50 0.00 0.00 46.19 42.11 1bwm s LEU 345 CO 0.00 -1.24 -0.12 0.18 -1.32 0.00 0.00 176.35 173.85 1bwm n LEU 346 N -1.64 0.85 0.00 -0.68 4.77 -1.10 -4.87 117.00 114.33 1bwm n LEU 346 Ca 0.10 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 1bwm n LEU 346 Cb 0.52 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1bwm n LEU 346 CO 0.44 -0.47 0.00 2.30 -1.33 0.00 0.00 177.39 178.33 1bwm n ILE 347 N -3.33 0.00 -3.47 -0.08 -0.00 -1.26 -4.96 119.36 106.25 1bwm n ILE 347 Ca -0.05 0.00 -0.11 0.00 -0.00 0.00 0.00 62.75 62.59 1bwm n ILE 347 Cb 0.18 0.00 -0.03 0.00 -0.00 0.00 0.00 39.64 39.79 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 -1.44 -1.73 0.00 -1.28 0.00 -1.26 -2.53 121.76 113.51 1bwm s ALA 348 Ca 0.00 0.86 0.00 0.00 0.00 0.00 0.00 51.96 52.82 1bwm s ALA 348 Cb 0.00 0.50 0.00 0.00 0.00 0.00 0.00 23.12 23.62 1bwm s ALA 348 CO 0.00 -0.67 0.00 0.44 0.00 0.00 0.00 175.76 175.53 1bwm n ILE 349 N -0.12 0.00 -1.37 0.00 -0.00 -1.26 -4.93 119.36 111.68 1bwm n ILE 349 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.62 1bwm n ILE 349 Cb 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.26 1bwm n ILE 349 CO 0.00 0.00 0.00 -1.20 -0.00 0.00 0.00 176.55 175.35 1bwm n SER 350 N 0.00 0.00 -3.50 7.28 7.64 -1.26 -3.80 113.62 119.98 1bwm n SER 350 Ca 0.00 -0.55 -0.19 0.00 1.01 0.00 0.00 58.87 59.14 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 -3.99 -0.29 -3.43 0.00 -1.26 -4.89 117.00 103.15 1bwm n LEU 351 Ca 0.00 -0.74 0.05 0.00 0.00 0.00 0.00 56.01 55.32 1bwm n LEU 351 Cb 0.14 -2.94 0.07 0.00 0.00 0.00 0.00 43.42 40.69 1bwm n LEU 351 CO 0.00 0.34 0.41 0.55 0.00 0.00 0.00 177.39 178.69 1bwm n VAL 352 N -3.99 0.96 -3.82 1.96 3.14 -1.26 -5.06 118.33 110.26 1bwm n VAL 352 Ca -0.23 -1.16 -0.11 0.00 -2.96 0.00 0.00 64.34 59.88 1bwm n VAL 352 Cb 0.66 0.13 -0.08 0.00 -1.06 0.00 0.00 33.84 33.48 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 -1.96 -0.03 0.60 6.55 0.01 -1.26 -5.02 113.70 112.59 1bwm s SER 353 Ca 0.16 -0.26 0.30 0.00 1.31 0.00 0.00 55.95 57.46 1bwm s SER 353 Cb 0.14 0.30 1.77 0.00 0.21 0.00 0.00 66.02 68.44 1bwm s SER 353 CO 0.01 -0.54 2.17 0.78 0.41 0.00 0.00 173.24 176.07 1bwm h ASN 354 N 3.51 0.00 -4.89 2.44 4.21 -1.95 -3.41 115.58 115.48 1bwm h ASN 354 Ca -0.32 0.00 -0.05 0.00 1.21 0.00 0.00 56.30 57.14 1bwm h ASN 354 Cb 1.19 0.00 -0.19 0.00 -1.12 0.00 0.00 38.32 38.20 1bwm h ASN 354 CO 0.46 0.00 0.20 -1.59 -1.29 0.00 0.00 177.43 175.21 1bwm s LYS 355 N -4.59 1.02 0.03 0.81 -2.85 -1.26 -2.56 119.74 110.34 1bwm s LYS 355 Ca -0.05 0.31 0.02 0.00 -1.00 0.00 0.00 55.97 55.25 1bwm s LYS 355 Cb 0.15 0.48 -0.02 0.00 -2.06 0.00 0.00 37.83 36.39 1bwm s LYS 355 CO 0.53 -0.31 -0.06 0.15 0.10 0.00 0.00 175.35 175.76 1bwm s LYS 356 N -1.07 0.46 -0.04 1.78 -0.14 -1.00 -4.93 119.74 114.80 1bwm s LYS 356 Ca -0.10 -0.55 0.04 0.00 -1.36 0.00 0.00 55.97 54.00 1bwm s LYS 356 Cb -0.00 -0.27 -0.00 0.00 -1.68 0.00 0.00 37.83 35.87 1bwm s LYS 356 CO 0.09 0.06 -0.14 -2.00 -0.76 0.00 0.00 175.35 172.59 1bwm s GLU 357 N -1.09 1.50 -0.41 1.68 2.12 -1.26 0.24 118.70 121.48 1bwm s GLU 357 Ca -0.07 -0.50 0.09 0.00 0.36 0.00 0.00 54.97 54.85 1bwm s GLU 357 Cb -0.07 -1.33 0.28 0.00 0.26 0.00 0.00 34.13 33.27 1bwm s GLU 357 CO 0.00 0.19 0.61 -0.25 -0.54 0.00 0.00 175.26 175.27 1bwm n ASP 358 N 3.22 0.78 0.00 -1.70 9.92 -1.09 -5.02 116.55 122.66 1bwm n ASP 358 Ca -0.18 -2.87 0.00 0.00 -0.53 0.00 0.00 54.79 51.20 1bwm n ASP 358 Cb 0.53 -0.63 0.00 0.00 -0.64 0.00 0.00 41.12 40.38 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 0.98 1.41 0.00 0.44 0.00 -1.26 -4.66 105.19 102.10 1bwm n GLY 359 Ca 0.23 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.45 1bwm n GLY 359 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1bwm n ARG 361 N 0.00 3.48 -4.28 1.61 3.00 -1.26 -5.04 116.66 114.17 1bwm n ARG 361 Ca 0.00 -0.00 -0.24 0.00 -0.00 0.00 0.00 57.85 57.61 1bwm n ARG 361 Cb 0.00 -0.76 -0.08 0.00 0.00 0.00 0.00 32.46 31.62 1bwm n ARG 361 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.63 177.04 1bwm s PHE 362 N -1.53 2.72 0.19 -0.14 -0.12 -1.26 -4.88 117.98 112.95 1bwm s PHE 362 Ca 0.00 -0.21 0.04 0.00 -0.05 0.00 0.00 56.93 56.72 1bwm s PHE 362 Cb 0.00 -1.24 -0.05 0.00 -0.63 0.00 0.00 43.02 41.10 1bwm s PHE 362 CO 0.02 0.59 -0.06 -0.08 -0.05 0.00 0.00 175.22 175.64 1bwm s THR 363 N -2.13 1.15 0.30 -4.49 -1.32 -1.25 -2.67 115.64 105.24 1bwm s THR 363 Ca 0.30 -2.06 0.09 0.00 -1.21 0.00 0.00 61.69 58.80 1bwm s THR 363 Cb -0.07 -2.09 -0.04 0.00 -1.51 0.00 0.00 72.50 68.78 1bwm s THR 363 CO 0.19 -0.54 0.09 0.27 -2.21 0.00 0.00 174.62 172.42 1bwm s ILE 364 N -3.34 3.30 0.16 5.08 -0.00 0.14 -1.46 121.20 125.08 1bwm s ILE 364 Ca 0.22 -1.76 0.08 0.00 -0.00 0.00 0.00 60.65 59.20 1bwm s ILE 364 Cb 0.04 -2.96 -0.04 0.00 -0.00 0.00 0.00 42.46 39.50 1bwm s ILE 364 CO 0.05 -0.27 -0.17 -0.36 -0.00 0.00 0.00 174.94 174.18 1bwm s PHE 365 N -2.36 1.77 -0.30 1.37 0.40 0.39 -2.37 117.98 116.87 1bwm s PHE 365 Ca 0.35 -0.49 -0.03 0.00 -0.60 0.00 0.00 56.93 56.16 1bwm s PHE 365 Cb -0.04 -0.88 0.04 0.00 0.51 0.00 0.00 43.02 42.65 1bwm s PHE 365 CO 0.22 0.31 0.02 0.12 0.70 0.00 0.00 175.22 176.59 1bwm s PHE 366 N -2.13 3.23 -0.47 0.36 5.36 -1.06 -2.70 117.98 120.56 1bwm s PHE 366 Ca 0.15 -1.66 -0.20 0.00 -0.96 0.00 0.00 56.93 54.27 1bwm s PHE 366 Cb -0.05 -2.15 0.04 0.00 -0.34 0.00 0.00 43.02 40.52 1bwm s PHE 366 CO 0.06 -0.76 0.64 1.21 -1.46 0.00 0.00 175.22 174.91 1bwm s ASN 367 N 1.32 6.27 0.02 6.13 3.84 -0.81 -4.91 114.94 126.80 1bwm s ASN 367 Ca -0.03 -0.62 -0.17 0.00 0.21 0.00 0.00 52.86 52.25 1bwm s ASN 367 Cb -0.19 -2.31 -0.32 0.00 -0.55 0.00 0.00 41.25 37.88 1bwm s ASN 367 CO -0.00 -0.84 1.01 0.11 -2.79 0.00 0.00 177.10 174.59 1bwm h LYS 368 N 8.94 0.51 -0.43 0.43 1.57 -1.96 1.01 116.57 126.64 1bwm h LYS 368 Ca -0.26 -0.79 -0.08 0.00 -1.87 0.00 0.00 60.65 57.65 1bwm h LYS 368 Cb 1.10 0.28 -0.02 0.00 0.08 0.00 0.00 32.23 33.67 1bwm h LYS 368 CO 0.93 1.37 -0.05 -0.09 -0.57 0.00 0.00 179.45 181.04 1bwm h ARG 369 N 0.06 0.74 0.00 3.15 2.43 -1.99 -3.14 114.38 115.62 1bwm h ARG 369 Ca -0.20 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 58.76 1bwm h ARG 369 Cb 1.94 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 31.41 1bwm h ARG 369 CO 0.23 0.78 -0.76 -1.91 -1.51 0.00 0.00 179.97 176.81 1bwm n GLU 370 N -4.20 1.86 -3.38 0.20 4.07 -1.24 -5.03 120.64 112.92 1bwm n GLU 370 Ca 0.02 -0.00 -0.15 0.00 -0.06 0.00 0.00 57.16 56.96 1bwm n GLU 370 Cb 0.32 -1.23 0.02 0.00 -0.06 0.00 0.00 31.44 30.49 1bwm n GLU 370 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 1bwm n LYS 371 N -1.38 -1.50 -3.68 5.31 3.00 0.35 -5.02 118.16 115.24 1bwm n LYS 371 Ca 0.03 0.99 -0.10 0.00 -0.00 0.00 0.00 58.31 59.23 1bwm n LYS 371 Cb 0.25 -4.77 -0.05 0.00 0.00 0.00 0.00 35.03 30.46 1bwm n LYS 371 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.40 175.81 1bwm s LYS 372 N -4.35 1.10 -0.13 1.64 -2.85 -1.05 -4.50 119.74 109.59 1bwm s LYS 372 Ca 0.21 -0.77 -0.05 0.00 -1.00 0.00 0.00 55.97 54.36 1bwm s LYS 372 Cb -0.06 0.46 -0.04 0.00 -2.06 0.00 0.00 37.83 36.14 1bwm s LYS 372 CO 0.80 -0.43 0.03 -0.51 0.10 0.00 0.00 175.35 175.34 1bwm s LEU 373 N -2.83 3.67 -0.05 2.77 1.02 -0.28 -1.92 118.68 121.07 1bwm s LEU 373 Ca 0.05 0.10 0.01 0.00 0.02 0.00 0.00 54.13 54.31 1bwm s LEU 373 Cb 0.02 -1.88 0.02 0.00 0.02 0.00 0.00 46.19 44.37 1bwm s LEU 373 CO -0.10 0.27 -0.04 -0.44 0.02 0.00 0.00 176.35 176.06 1bwm s SER 374 N -0.24 0.97 0.23 2.29 0.01 -1.10 -0.24 113.70 115.62 1bwm s SER 374 Ca 0.07 -0.13 0.10 0.00 1.31 0.00 0.00 55.95 57.30 1bwm s SER 374 Cb -0.12 -0.45 -0.04 0.00 0.21 0.00 0.00 66.02 65.61 1bwm s SER 374 CO 0.02 -0.06 -0.12 -0.22 0.41 0.00 0.00 173.24 173.27 1bwm s LEU 375 N 0.95 2.85 0.28 2.44 0.20 -1.08 0.15 118.68 124.46 1bwm s LEU 375 Ca -0.11 -0.76 0.09 0.00 0.69 0.00 0.00 54.13 54.04 1bwm s LEU 375 Cb -0.14 -1.45 -0.04 0.00 -0.43 0.00 0.00 46.19 44.12 1bwm s LEU 375 CO -0.00 0.06 0.07 -1.00 -0.29 0.00 0.00 176.35 175.20 1bwm s HIS 376 N -2.07 2.79 -0.30 5.38 3.76 -0.53 -2.58 115.29 121.74 1bwm s HIS 376 Ca 0.27 -0.23 -0.08 0.00 -0.15 0.00 0.00 55.06 54.87 1bwm s HIS 376 Cb -0.07 -1.34 0.14 0.00 1.11 0.00 0.00 32.58 32.42 1bwm s HIS 376 CO 0.16 0.53 0.64 0.42 -0.85 0.00 0.00 174.74 175.63 1bwm s ILE 377 N -2.30 -1.00 0.36 0.60 -1.09 -0.58 -3.91 121.20 113.28 1bwm s ILE 377 Ca 0.33 0.00 0.08 0.00 -2.23 0.00 0.00 60.65 58.84 1bwm s ILE 377 Cb -0.06 -1.00 -0.05 0.00 -1.58 0.00 0.00 42.46 39.77 1bwm s ILE 377 CO 0.22 0.00 0.08 0.28 -1.23 0.00 0.00 174.94 174.28 1bwm s THR 378 N 2.89 2.62 -0.55 2.92 -1.32 -1.26 0.69 115.64 121.62 1bwm s THR 378 Ca 0.00 -1.85 -0.17 0.00 -1.21 0.00 0.00 61.69 58.46 1bwm s THR 378 Cb -0.13 -2.89 0.02 0.00 -1.51 0.00 0.00 72.50 68.00 1bwm s THR 378 CO -0.19 -0.14 0.64 0.47 -2.21 0.00 0.00 174.62 173.18 1bwm n ASP 379 N -1.06 -6.85 -4.31 8.08 8.00 -1.26 -4.99 116.55 114.16 1bwm n ASP 379 Ca -0.03 0.02 -0.28 0.00 0.71 0.00 0.00 54.79 55.21 1bwm n ASP 379 Cb 0.63 -3.88 -0.14 0.00 -0.02 0.00 0.00 41.12 37.70 1bwm n ASP 379 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1bwm s SER 380 N -2.44 2.89 0.45 -2.24 1.04 -1.26 -4.99 113.70 107.15 1bwm s SER 380 Ca 0.20 -0.58 0.07 0.00 0.48 0.00 0.00 55.95 56.12 1bwm s SER 380 Cb -0.04 -0.25 -0.01 0.00 0.10 0.00 0.00 66.02 65.83 1bwm s SER 380 CO 0.81 0.21 0.35 -1.10 0.98 0.00 0.00 173.24 174.49 1bwm s GLN 381 N -1.31 2.39 0.72 4.02 -0.21 -1.26 -2.33 119.66 121.68 1bwm s GLN 381 Ca 0.10 -1.73 -0.16 0.00 0.02 0.00 0.00 55.36 53.59 1bwm s GLN 381 Cb -0.10 -2.22 0.03 0.00 1.00 0.00 0.00 33.01 31.72 1bwm s GLN 381 CO 0.02 -0.29 1.25 -2.30 -2.12 0.00 0.00 175.29 171.85 1bwm n PRO 382 N -1.54 0.72 -1.24 2.91 -0.01 -1.26 -2.96 135.00 131.63 1bwm n PRO 382 Ca 0.02 0.31 -0.04 0.00 -0.01 0.00 0.00 63.50 63.78 1bwm n PRO 382 Cb 0.63 -2.49 -0.01 0.00 -0.01 0.00 0.00 33.50 31.62 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 0.78 0.47 2.43 -1.23 0.00 -1.17 -4.04 105.19 102.43 1bwm n GLY 383 Ca 0.15 -0.03 -0.12 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.28 -3.81 -0.89 1.61 8.00 -1.26 -4.55 116.55 115.37 1bwm n ASP 384 Ca -0.18 0.21 0.12 0.00 0.71 0.00 0.00 54.79 55.64 1bwm n ASP 384 Cb 0.63 -3.25 -0.04 0.00 -0.02 0.00 0.00 41.12 38.44 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 -1.76 -5.34 -3.53 -2.24 7.64 -0.64 -4.62 113.62 103.13 1bwm n SER 385 Ca -0.14 0.60 -0.14 0.00 1.01 0.00 0.00 58.87 60.20 1bwm n SER 385 Cb 0.60 -2.86 -0.05 0.00 -1.01 0.00 0.00 64.21 60.90 1bwm n SER 385 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1bwm s ALA 386 N -2.66 -1.82 -0.20 -0.43 0.00 0.37 -4.58 121.76 112.44 1bwm s ALA 386 Ca 0.00 1.35 -0.04 0.00 0.00 0.00 0.00 51.96 53.27 1bwm s ALA 386 Cb 0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 23.12 22.92 1bwm s ALA 386 CO 0.00 -0.39 -0.03 0.95 0.00 0.00 0.00 175.76 176.29 1bwm s THR 387 N -1.43 3.61 -0.60 0.00 -4.23 -0.77 -1.02 115.64 111.21 1bwm s THR 387 Ca -0.06 -0.42 -0.24 0.00 -1.18 0.00 0.00 61.69 59.78 1bwm s THR 387 Cb -0.00 -2.63 0.05 0.00 1.34 0.00 0.00 72.50 71.25 1bwm s THR 387 CO 0.04 0.43 1.00 -0.31 -0.54 0.00 0.00 174.62 175.25 1bwm s TYR 388 N 1.17 2.69 -0.24 3.99 1.51 -0.97 -2.10 117.35 123.41 1bwm s TYR 388 Ca 0.02 -0.12 -0.29 0.00 -1.01 0.00 0.00 57.07 55.68 1bwm s TYR 388 Cb -0.14 -4.22 -0.00 0.00 -0.11 0.00 0.00 41.96 37.48 1bwm s TYR 388 CO -0.00 -1.52 1.26 -0.06 -1.11 0.00 0.00 175.55 174.12 1bwm s PHE 389 N 4.25 2.80 -0.36 2.71 0.40 0.15 -2.03 117.98 125.90 1bwm s PHE 389 Ca 0.30 0.97 -0.12 0.00 -0.60 0.00 0.00 56.93 57.48 1bwm s PHE 389 Cb -0.13 -3.70 0.01 0.00 0.51 0.00 0.00 43.02 39.71 1bwm s PHE 389 CO 0.17 -1.61 0.23 0.00 0.70 0.00 0.00 175.22 174.71 1bwm s ALA 391 N 1.65 1.94 0.01 0.00 0.00 -1.26 -2.94 121.76 121.16 1bwm s ALA 391 Ca 0.05 -1.91 0.01 0.00 0.00 0.00 0.00 51.96 50.11 1bwm s ALA 391 Cb -0.18 0.81 -0.01 0.00 0.00 0.00 0.00 23.12 23.74 1bwm s ALA 391 CO 0.09 -0.37 -0.04 0.00 0.00 0.00 0.00 175.76 175.44 1bwm s ALA 392 N -3.54 0.27 0.05 0.00 0.00 -1.02 -3.47 121.76 114.04 1bwm s ALA 392 Ca 0.35 -0.27 -0.06 0.00 0.00 0.00 0.00 51.96 51.98 1bwm s ALA 392 Cb 0.08 -0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.20 1bwm s ALA 392 CO 0.13 0.02 0.28 -2.37 0.00 0.00 0.00 175.76 173.82 1bwm n THR 393 N 2.61 0.00 0.00 0.00 5.66 -0.72 -2.48 114.28 119.34 1bwm n THR 393 Ca -0.15 -0.16 0.00 0.00 -3.05 0.00 0.00 64.05 60.69 1bwm n THR 393 Cb 0.58 0.21 0.00 0.00 -1.55 0.00 0.00 70.33 69.57 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 -0.20 1.62 0.00 1.09 0.00 -1.26 0.11 105.19 106.55 1bwm n GLY 399 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 0.00 -3.91 1.61 7.64 -1.26 -4.71 113.62 112.99 1bwm n SER 400 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1bwm n SER 400 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1bwm n SER 400 CO 0.00 0.00 0.00 2.22 -3.01 0.00 0.00 175.04 174.25 1bwm n PHE 401 N 0.00 -0.77 -3.20 1.43 1.16 -1.26 -4.91 117.46 109.91 1bwm n PHE 401 Ca 0.00 0.00 -0.32 0.00 -1.87 0.00 0.00 57.45 55.26 1bwm n PHE 401 Cb 0.00 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 37.82 1bwm n PHE 401 CO 0.00 0.00 0.00 0.09 -1.87 0.00 0.00 176.76 174.98 1bwm n ASN 402 N 0.00 4.80 -3.36 5.98 3.02 -1.26 -4.92 115.26 119.51 1bwm n ASN 402 Ca 0.00 -3.49 -0.15 0.00 -0.03 0.00 0.00 54.58 50.91 1bwm n ASN 402 Cb 0.00 -0.85 -0.08 0.00 -0.61 0.00 0.00 39.78 38.25 1bwm n ASN 402 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1bwm s LYS 403 N -2.81 0.53 -0.19 3.52 1.02 -1.26 -4.54 119.74 116.01 1bwm s LYS 403 Ca 0.39 -0.52 -0.29 0.00 0.02 0.00 0.00 55.97 55.56 1bwm s LYS 403 Cb 0.14 -0.62 -0.01 0.00 -0.52 0.00 0.00 37.83 36.82 1bwm s LYS 403 CO -0.00 -1.13 1.25 -0.51 -0.92 0.00 0.00 175.35 174.04 1bwm s LEU 404 N 1.84 4.13 -0.40 3.17 1.02 -1.26 -4.82 118.68 122.35 1bwm s LEU 404 Ca 0.14 1.59 -0.23 0.00 0.02 0.00 0.00 54.13 55.64 1bwm s LEU 404 Cb -0.14 -3.54 0.02 0.00 0.02 0.00 0.00 46.19 42.55 1bwm s LEU 404 CO -0.15 -0.81 0.80 -0.89 0.02 0.00 0.00 176.35 175.32 1bwm s THR 405 N 3.62 4.68 0.13 5.49 2.01 -1.04 -4.74 115.64 125.81 1bwm s THR 405 Ca 0.54 0.73 0.03 0.00 0.31 0.00 0.00 61.69 63.30 1bwm s THR 405 Cb -0.20 -4.26 -0.04 0.00 0.01 0.00 0.00 72.50 68.01 1bwm s THR 405 CO 0.15 -0.56 0.20 0.72 -0.69 0.00 0.00 174.62 174.45 1bwm s PHE 406 N 3.22 3.34 -0.32 4.92 -0.12 -1.26 -2.44 117.98 125.32 1bwm s PHE 406 Ca 0.31 0.08 0.15 0.00 -0.05 0.00 0.00 56.93 57.43 1bwm s PHE 406 Cb -0.13 -1.62 0.47 0.00 -0.63 0.00 0.00 43.02 41.11 1bwm s PHE 406 CO 0.19 0.53 1.08 0.41 -0.05 0.00 0.00 175.22 177.38 1bwm n GLY 407 N -0.26 3.44 2.90 1.99 0.00 -1.15 -4.68 105.19 107.43 1bwm n GLY 407 Ca -0.07 -1.78 -0.01 0.00 0.00 0.00 0.00 46.02 44.16 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 -0.44 -2.71 -1.53 4.61 0.00 -1.26 -3.71 120.51 115.46 1bwm n ALA 408 Ca 0.21 0.64 -0.47 0.00 0.00 0.00 0.00 53.44 53.82 1bwm n ALA 408 Cb 0.81 -1.49 -0.03 0.00 0.00 0.00 0.00 19.45 18.75 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 -0.60 3.48 0.00 0.00 -1.26 -4.38 105.19 103.77 1bwm n GLY 409 Ca -0.08 0.39 -0.32 0.00 0.00 0.00 0.00 46.02 46.01 1bwm n GLY 409 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1bwm n THR 410 N 0.49 0.03 -3.52 2.61 -1.04 -0.86 -4.53 114.28 107.46 1bwm n THR 410 Ca 0.13 -0.15 -0.42 0.00 -2.04 0.00 0.00 64.05 61.58 1bwm n THR 410 Cb 0.27 -0.71 -0.06 0.00 -1.82 0.00 0.00 70.33 68.01 1bwm n THR 410 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 1bwm s ARG 411 N -3.86 2.94 -0.24 -2.82 3.52 -1.26 -2.30 118.95 114.93 1bwm s ARG 411 Ca 0.59 -2.27 -0.24 0.00 -0.13 0.00 0.00 55.73 53.68 1bwm s ARG 411 Cb -0.22 -4.06 -0.01 0.00 -1.56 0.00 0.00 34.95 29.10 1bwm s ARG 411 CO 0.65 -1.23 0.80 -0.51 -0.81 0.00 0.00 175.30 174.20 1bwm s LEU 412 N 0.47 4.09 0.35 -0.88 2.01 -0.19 -3.38 118.68 121.14 1bwm s LEU 412 Ca 0.14 1.00 -0.26 0.00 0.01 0.00 0.00 54.13 55.02 1bwm s LEU 412 Cb -0.19 -3.14 -0.09 0.00 0.01 0.00 0.00 46.19 42.78 1bwm s LEU 412 CO -0.04 -0.48 1.08 0.00 1.01 0.00 0.00 176.35 177.91 1bwm s ALA 413 N 2.71 3.22 0.00 4.21 0.00 -0.45 -0.48 121.76 130.97 1bwm s ALA 413 Ca 0.34 0.80 0.00 0.00 0.00 0.00 0.00 51.96 53.10 1bwm s ALA 413 Cb -0.15 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.67 1bwm s ALA 413 CO 0.08 -0.21 0.00 0.28 0.00 0.00 0.00 175.76 175.91 1bwm n VAL 414 N 0.47 0.00 -1.27 0.00 0.31 -1.26 -2.68 118.33 113.90 1bwm n VAL 414 Ca 0.02 0.00 0.15 0.00 -0.01 0.00 0.00 64.34 64.50 1bwm n VAL 414 Cb 0.47 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.35 1bwm n VAL 414 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1bwm n SER 415 N 3.70 -7.01 -4.71 4.52 3.41 -1.26 -1.61 113.62 110.66 1bwm n SER 415 Ca 0.00 0.85 -0.32 0.00 -0.26 0.00 0.00 58.87 59.14 1bwm n SER 415 Cb 0.00 -4.10 0.13 0.00 -0.26 0.00 0.00 64.21 59.98 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 -3.27 1.59 0.00 4.33 0.05 -1.15 -3.05 135.00 133.50 1bwm s PRO 416 Ca 0.00 1.50 0.32 0.00 0.05 0.00 0.00 61.00 62.87 1bwm s PRO 416 Cb 0.00 -1.80 1.90 0.00 0.05 0.00 0.00 34.50 34.65 1bwm s PRO 416 CO 0.00 -2.19 2.22 0.98 0.05 0.00 0.00 177.00 178.06