#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 0.24 -4.07 0.00 3.14 -1.25 -3.96 118.33 112.42 1bwm n VAL 4 Ca 0.00 -0.39 -0.04 0.00 -2.96 0.00 0.00 64.34 60.96 1bwm n VAL 4 Cb 0.00 -2.13 -0.01 0.00 -1.06 0.00 0.00 33.84 30.64 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 7.52 0.00 -3.45 1.55 -2.24 -1.09 -4.33 114.28 112.24 1bwm n THR 5 Ca 0.36 -0.34 -0.11 0.00 -2.27 0.00 0.00 64.05 61.70 1bwm n THR 5 Cb 0.35 0.11 -0.02 0.00 -2.10 0.00 0.00 70.33 68.67 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 -2.22 1.12 -0.54 -0.78 0.74 -1.22 -2.69 119.66 114.07 1bwm s GLN 6 Ca 0.03 -0.38 -0.35 0.00 0.05 0.00 0.00 55.36 54.70 1bwm s GLN 6 Cb 0.00 0.52 -0.15 0.00 1.10 0.00 0.00 33.01 34.48 1bwm s GLN 6 CO 0.02 -0.48 2.31 0.45 -0.55 0.00 0.00 175.29 177.04 1bwm n SER 7 N -0.27 1.44 -0.21 6.67 2.88 0.37 -4.80 113.62 119.71 1bwm n SER 7 Ca -0.14 0.32 -0.08 0.00 -1.33 0.00 0.00 58.87 57.63 1bwm n SER 7 Cb 0.64 -1.14 0.02 0.00 -0.75 0.00 0.00 64.21 62.98 1bwm n SER 7 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1bwm h PRO 8 N 12.34 0.94 -6.85 -1.46 0.14 -1.96 -3.44 132.00 131.72 1bwm h PRO 8 Ca -0.18 -0.24 -0.53 0.00 0.14 0.00 0.00 66.00 65.19 1bwm h PRO 8 Cb 1.34 -0.12 0.09 0.00 0.14 0.00 0.00 31.00 32.45 1bwm h PRO 8 CO 1.13 0.88 0.84 0.50 0.14 0.00 0.00 178.00 181.49 1bwm s ARG 9 N -5.27 4.13 -0.16 0.86 6.06 -1.26 -4.99 118.95 118.32 1bwm s ARG 9 Ca -0.12 2.55 -0.00 0.00 -2.50 0.00 0.00 55.73 55.65 1bwm s ARG 9 Cb 0.13 -3.01 -0.00 0.00 0.06 0.00 0.00 34.95 32.12 1bwm s ARG 9 CO 0.82 -0.58 -0.14 -0.80 -2.50 0.00 0.00 175.30 172.10 1bwm s ASN 10 N 0.26 3.74 0.08 -2.12 0.02 -1.26 -5.01 114.94 110.67 1bwm s ASN 10 Ca 0.59 -0.45 0.01 0.00 -1.02 0.00 0.00 52.86 51.99 1bwm s ASN 10 Cb -0.47 -1.58 -0.04 0.00 0.02 0.00 0.00 41.25 39.18 1bwm s ASN 10 CO 0.53 0.08 -0.06 -1.59 0.02 0.00 0.00 177.10 176.07 1bwm s LYS 11 N 0.86 0.76 0.34 -0.60 -2.85 -1.26 -5.10 119.74 111.89 1bwm s LYS 11 Ca -0.04 -1.25 0.07 0.00 -1.00 0.00 0.00 55.97 53.76 1bwm s LYS 11 Cb -0.15 -0.16 -0.02 0.00 -2.06 0.00 0.00 37.83 35.44 1bwm s LYS 11 CO -0.01 -0.02 0.32 0.08 0.10 0.00 0.00 175.35 175.83 1bwm s VAL 12 N -3.38 3.60 0.33 1.79 1.01 -1.26 -4.53 120.40 117.96 1bwm s VAL 12 Ca 0.08 -1.31 0.03 0.00 0.00 0.00 0.00 61.98 60.79 1bwm s VAL 12 Cb 0.04 -3.22 -0.05 0.00 0.00 0.00 0.00 36.38 33.15 1bwm s VAL 12 CO -0.05 -0.17 0.08 0.00 0.00 0.00 0.00 175.10 174.97 1bwm s ALA 13 N -2.29 2.40 0.24 5.51 0.00 -1.08 -4.96 121.76 121.58 1bwm s ALA 13 Ca 0.42 -1.82 0.00 0.00 0.00 0.00 0.00 51.96 50.56 1bwm s ALA 13 Cb -0.06 0.74 0.00 0.00 0.00 0.00 0.00 23.12 23.80 1bwm s ALA 13 CO 0.27 -0.34 0.02 1.33 0.00 0.00 0.00 175.76 177.05 1bwm n VAL 14 N -0.71 0.00 -1.41 0.00 0.24 -1.26 -2.96 118.33 112.23 1bwm n VAL 14 Ca -0.03 -1.10 -0.56 0.00 -2.04 0.00 0.00 64.34 60.61 1bwm n VAL 14 Cb 0.66 0.16 -0.09 0.00 -1.47 0.00 0.00 33.84 33.10 1bwm n VAL 14 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 1bwm n THR 15 N -0.66 0.12 -3.53 3.34 -1.04 -1.26 0.19 114.28 111.45 1bwm n THR 15 Ca -0.09 -0.13 -0.20 0.00 -2.04 0.00 0.00 64.05 61.60 1bwm n THR 15 Cb 0.30 -1.12 0.08 0.00 -1.82 0.00 0.00 70.33 67.77 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 6.53 -0.41 0.00 3.41 0.00 0.11 -4.94 105.19 109.89 1bwm n GLY 16 Ca 0.44 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.62 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 -1.46 1.80 0.00 -0.02 0.00 0.13 -4.80 105.19 100.84 1bwm n GLY 17 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1bwm n GLY 17 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1bwm n LYS 18 N 0.00 0.00 -3.63 1.61 4.81 -1.26 -4.81 118.16 114.88 1bwm n LYS 18 Ca 0.00 0.00 -0.22 0.00 -0.87 0.00 0.00 58.31 57.22 1bwm n LYS 18 Cb 0.00 0.00 -0.17 0.00 0.02 0.00 0.00 35.03 34.88 1bwm n LYS 18 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1bwm s VAL 19 N -2.00 -0.13 -0.25 3.15 1.01 -1.08 -4.73 120.40 116.38 1bwm s VAL 19 Ca 0.00 0.13 -0.07 0.00 0.00 0.00 0.00 61.98 62.04 1bwm s VAL 19 Cb 0.00 -0.38 -0.03 0.00 0.00 0.00 0.00 36.38 35.97 1bwm s VAL 19 CO 0.00 -0.05 0.06 -0.89 0.00 0.00 0.00 175.10 174.22 1bwm s THR 20 N 2.18 4.23 -0.05 3.92 2.01 -1.26 -2.27 115.64 124.40 1bwm s THR 20 Ca 0.04 -0.20 0.00 0.00 0.31 0.00 0.00 61.69 61.84 1bwm s THR 20 Cb -0.14 -2.98 0.02 0.00 0.01 0.00 0.00 72.50 69.42 1bwm s THR 20 CO -0.06 0.35 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.42 1bwm s LEU 21 N 1.59 1.13 -0.23 4.42 1.43 -1.08 -4.88 118.68 121.06 1bwm s LEU 21 Ca 0.06 -0.12 0.02 0.00 -1.03 0.00 0.00 54.13 53.06 1bwm s LEU 21 Cb -0.15 -0.44 0.04 0.00 0.03 0.00 0.00 46.19 45.67 1bwm s LEU 21 CO 0.03 -0.09 -0.13 -0.44 0.23 0.00 0.00 176.35 175.95 1bwm s SER 22 N 1.21 4.03 -0.03 2.29 0.01 -1.26 -2.62 113.70 117.32 1bwm s SER 22 Ca -0.07 -1.08 0.06 0.00 1.31 0.00 0.00 55.95 56.17 1bwm s SER 22 Cb -0.14 -1.55 -0.02 0.00 0.21 0.00 0.00 66.02 64.52 1bwm s SER 22 CO -0.02 -0.12 -0.21 0.00 0.41 0.00 0.00 173.24 173.30 1bwm s ASN 24 N -0.65 4.70 -0.24 0.00 0.02 -1.09 -2.43 114.94 115.25 1bwm s ASN 24 Ca 0.10 -1.09 -0.08 0.00 -1.02 0.00 0.00 52.86 50.77 1bwm s ASN 24 Cb -0.10 0.00 0.10 0.00 0.02 0.00 0.00 41.25 41.27 1bwm s ASN 24 CO -0.00 -0.89 0.51 -1.58 0.02 0.00 0.00 177.10 175.16 1bwm s GLN 25 N -4.18 0.43 -0.32 -0.60 0.74 0.13 -2.68 119.66 113.19 1bwm s GLN 25 Ca 0.39 1.19 0.02 0.00 0.05 0.00 0.00 55.36 57.01 1bwm s GLN 25 Cb -0.01 0.53 0.12 0.00 1.10 0.00 0.00 33.01 34.74 1bwm s GLN 25 CO 0.23 -0.23 1.14 -2.37 -0.55 0.00 0.00 175.29 173.52 1bwm n THR 26 N 5.35 0.00 -1.52 -0.34 5.66 -1.26 -4.12 114.28 118.06 1bwm n THR 26 Ca -0.11 -0.63 -0.03 0.00 -3.05 0.00 0.00 64.05 60.23 1bwm n THR 26 Cb 0.50 0.69 0.19 0.00 -1.55 0.00 0.00 70.33 70.16 1bwm n THR 26 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1bwm n ASN 27 N -0.26 2.40 -1.98 1.09 2.85 -1.26 -4.42 115.26 113.68 1bwm n ASN 27 Ca -0.23 -3.83 -0.10 0.00 -0.11 0.00 0.00 54.58 50.31 1bwm n ASN 27 Cb 0.67 -0.61 0.04 0.00 1.24 0.00 0.00 39.78 41.13 1bwm n ASN 27 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1bwm n ASN 28 N -1.11 -3.61 -3.96 1.20 5.15 -1.26 -5.03 115.26 106.64 1bwm n ASN 28 Ca 0.31 -0.26 -0.27 0.00 -0.60 0.00 0.00 54.58 53.76 1bwm n ASN 28 Cb 0.94 -2.61 -0.17 0.00 -0.53 0.00 0.00 39.78 37.42 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 -3.15 1.65 -2.10 1.20 3.76 -1.26 -4.71 115.29 110.68 1bwm s HIS 29 Ca 0.21 -0.81 0.16 0.00 -0.15 0.00 0.00 55.06 54.48 1bwm s HIS 29 Cb -0.09 -1.29 0.71 0.00 1.11 0.00 0.00 32.58 33.02 1bwm s HIS 29 CO 0.34 -0.49 1.49 -1.71 -0.85 0.00 0.00 174.74 173.51 1bwm n ASN 30 N 4.63 0.87 -3.84 1.40 5.15 -1.25 -4.80 115.26 117.42 1bwm n ASN 30 Ca -0.16 -1.69 -0.12 0.00 -0.60 0.00 0.00 54.58 52.01 1bwm n ASN 30 Cb 0.50 -0.07 -0.14 0.00 -0.53 0.00 0.00 39.78 39.55 1bwm n ASN 30 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 1bwm s ASN 31 N -1.41 -0.06 0.05 1.20 0.01 -1.20 -4.39 114.94 109.14 1bwm s ASN 31 Ca 0.25 0.13 0.08 0.00 -0.71 0.00 0.00 52.86 52.60 1bwm s ASN 31 Cb 0.13 0.11 -0.03 0.00 0.41 0.00 0.00 41.25 41.87 1bwm s ASN 31 CO 0.19 -0.04 -0.21 -0.32 -1.51 0.00 0.00 177.10 175.22 1bwm s MET 32 N 0.18 1.41 0.13 -0.60 1.75 0.20 -2.25 119.30 120.12 1bwm s MET 32 Ca -0.01 -0.97 0.09 0.00 -1.25 0.00 0.00 55.69 53.55 1bwm s MET 32 Cb -0.02 -1.54 -0.04 0.00 2.84 0.00 0.00 34.83 36.07 1bwm s MET 32 CO -0.01 0.39 -0.21 0.71 -0.65 0.00 0.00 175.02 175.26 1bwm s TYR 33 N -0.82 1.90 -0.09 4.11 1.51 0.06 -2.62 117.35 121.39 1bwm s TYR 33 Ca 0.08 -0.43 0.01 0.00 -1.01 0.00 0.00 57.07 55.72 1bwm s TYR 33 Cb -0.09 -1.00 0.02 0.00 -0.11 0.00 0.00 41.96 40.78 1bwm s TYR 33 CO 0.02 0.29 -0.11 -1.58 -1.11 0.00 0.00 175.55 173.06 1bwm s TRP 34 N -1.50 1.55 0.43 2.71 0.52 -0.95 -2.26 118.94 119.44 1bwm s TRP 34 Ca 0.12 -0.68 0.04 0.00 0.02 0.00 0.00 56.10 55.60 1bwm s TRP 34 Cb -0.08 -1.18 -0.05 0.00 -1.15 0.00 0.00 33.47 31.00 1bwm s TRP 34 CO 0.06 -0.40 0.03 0.71 0.02 0.00 0.00 176.95 177.36 1bwm s TYR 35 N 1.10 2.15 0.03 -1.98 2.02 -1.07 -2.64 117.35 116.95 1bwm s TYR 35 Ca -0.06 -0.87 -0.18 0.00 -0.37 0.00 0.00 57.07 55.60 1bwm s TYR 35 Cb -0.14 -1.59 0.03 0.00 -0.40 0.00 0.00 41.96 39.86 1bwm s TYR 35 CO -0.02 0.24 0.39 0.50 -1.57 0.00 0.00 175.55 175.10 1bwm s ARG 36 N -3.79 0.86 -0.28 -0.62 3.52 -0.50 -2.62 118.95 115.53 1bwm s ARG 36 Ca 0.24 -0.31 -0.04 0.00 -0.13 0.00 0.00 55.73 55.49 1bwm s ARG 36 Cb 0.06 0.38 0.02 0.00 -1.56 0.00 0.00 34.95 33.86 1bwm s ARG 36 CO 0.12 -0.28 0.01 -0.65 -0.81 0.00 0.00 175.30 173.69 1bwm s GLN 37 N -2.16 2.88 -0.16 5.12 -0.21 -1.07 -1.61 119.66 122.46 1bwm s GLN 37 Ca -0.07 -0.97 0.19 0.00 0.02 0.00 0.00 55.36 54.52 1bwm s GLN 37 Cb -0.02 -3.19 -0.27 0.00 1.00 0.00 0.00 33.01 30.54 1bwm s GLN 37 CO -0.00 -0.46 0.18 -3.47 -2.12 0.00 0.00 175.29 169.42 1bwm n ASP 38 N 4.75 0.03 -0.83 5.90 -0.08 -1.20 -3.28 116.55 121.84 1bwm n ASP 38 Ca -0.15 0.01 0.00 0.00 -1.51 0.00 0.00 54.79 53.14 1bwm n ASP 38 Cb 0.47 1.17 0.00 0.00 2.34 0.00 0.00 41.12 45.10 1bwm n ASP 38 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 1bwm n THR 39 N -2.66 0.00 0.16 5.18 -1.04 -1.26 -4.99 114.28 109.67 1bwm n THR 39 Ca -0.26 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 61.75 1bwm n THR 39 Cb 1.03 -0.28 0.26 0.00 -1.82 0.00 0.00 70.33 69.52 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 0.00 -0.81 3.41 0.00 -2.04 -3.37 103.07 100.27 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 -0.15 -2.39 0.00 0.00 0.00 176.54 174.00 1bwm n HIS 41 N -3.89 0.00 -3.13 5.60 1.44 -1.26 -5.08 115.22 108.89 1bwm n HIS 41 Ca -0.01 0.00 -0.41 0.00 -2.01 0.00 0.00 57.72 55.29 1bwm n HIS 41 Cb 0.52 0.13 -0.07 0.00 0.12 0.00 0.00 29.99 30.70 1bwm n HIS 41 CO 0.00 0.00 0.00 0.20 -2.81 0.00 0.00 176.34 173.73 1bwm s GLY 42 N -0.31 1.79 0.76 -1.39 0.00 -1.26 -4.08 107.32 102.84 1bwm s GLY 42 Ca 0.00 -0.61 -0.12 0.00 0.00 0.00 0.00 44.72 43.99 1bwm s GLY 42 CO 0.00 1.42 1.14 1.08 0.00 0.00 0.00 173.10 176.74 1bwm s LEU 43 N 2.54 2.69 -0.30 0.66 1.43 -1.26 -3.22 118.68 121.22 1bwm s LEU 43 Ca 0.25 0.93 -0.06 0.00 -1.03 0.00 0.00 54.13 54.22 1bwm s LEU 43 Cb -0.15 -3.56 0.19 0.00 0.03 0.00 0.00 46.19 42.69 1bwm s LEU 43 CO 0.11 -1.64 0.86 -0.60 0.23 0.00 0.00 176.35 175.31 1bwm s ARG 44 N -5.47 0.33 0.53 1.70 6.06 -0.63 -4.85 118.95 116.61 1bwm s ARG 44 Ca 0.60 0.45 -0.21 0.00 -2.50 0.00 0.00 55.73 54.07 1bwm s ARG 44 Cb -0.11 0.23 -0.05 0.00 0.06 0.00 0.00 34.95 35.08 1bwm s ARG 44 CO 0.50 -0.49 1.24 -1.17 -2.50 0.00 0.00 175.30 172.88 1bwm s LEU 45 N 2.91 3.85 0.00 -0.88 2.96 -1.26 -1.41 118.68 124.85 1bwm s LEU 45 Ca 0.14 2.47 0.00 0.00 -0.22 0.00 0.00 54.13 56.52 1bwm s LEU 45 Cb -0.09 -4.37 0.00 0.00 0.50 0.00 0.00 46.19 42.24 1bwm s LEU 45 CO -0.20 -1.33 0.00 2.30 -1.32 0.00 0.00 176.35 175.80 1bwm n ILE 46 N -1.01 0.00 -4.39 6.68 -0.00 -1.08 -2.39 119.36 117.17 1bwm n ILE 46 Ca 0.10 0.00 -0.25 0.00 -0.00 0.00 0.00 62.75 62.60 1bwm n ILE 46 Cb 0.48 0.00 -0.12 0.00 -0.00 0.00 0.00 39.64 40.00 1bwm n ILE 46 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.55 175.55 1bwm s HIS 47 N -1.00 2.14 -0.19 4.28 3.76 -1.24 0.12 115.29 123.17 1bwm s HIS 47 Ca 0.00 -0.39 -0.05 0.00 -0.15 0.00 0.00 55.06 54.47 1bwm s HIS 47 Cb 0.00 -1.06 0.09 0.00 1.11 0.00 0.00 32.58 32.72 1bwm s HIS 47 CO 0.00 0.45 0.34 -0.47 -0.85 0.00 0.00 174.74 174.21 1bwm s TYR 48 N -1.80 -0.63 -0.04 1.40 6.14 -1.15 -2.24 117.35 119.04 1bwm s TYR 48 Ca 0.19 1.05 -0.05 0.00 0.64 0.00 0.00 57.07 58.90 1bwm s TYR 48 Cb -0.07 0.06 0.01 0.00 0.42 0.00 0.00 41.96 42.38 1bwm s TYR 48 CO 0.09 -0.50 0.13 -1.12 0.64 0.00 0.00 175.55 174.79 1bwm s SER 49 N 2.50 -0.10 0.00 4.32 0.01 -1.08 -1.81 113.70 117.54 1bwm s SER 49 Ca 0.03 0.17 0.00 0.00 1.31 0.00 0.00 55.95 57.47 1bwm s SER 49 Cb -0.13 0.27 0.00 0.00 0.21 0.00 0.00 66.02 66.36 1bwm s SER 49 CO -0.12 -0.11 0.00 0.00 0.41 0.00 0.00 173.24 173.42 1bwm n TYR 50 N 2.70 0.00 -2.96 2.43 4.11 -1.26 0.60 117.16 122.78 1bwm n TYR 50 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.76 1bwm n TYR 50 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.92 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 2.00 4.28 3.86 -7.48 0.00 -1.26 -4.27 105.19 102.32 1bwm n GLY 51 Ca 0.00 -2.09 -0.37 0.00 0.00 0.00 0.00 46.02 43.55 1bwm n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bwm s ALA 52 N -2.00 3.80 -0.97 4.61 0.00 -1.26 -4.37 121.76 121.57 1bwm s ALA 52 Ca 0.00 -0.47 -0.00 0.00 0.00 0.00 0.00 51.96 51.48 1bwm s ALA 52 Cb 0.00 -2.14 -0.00 0.00 0.00 0.00 0.00 23.12 20.98 1bwm s ALA 52 CO 0.00 0.55 0.81 0.41 0.00 0.00 0.00 175.76 177.53 1bwm n GLY 53 N 1.96 -0.25 2.98 0.00 0.00 0.32 -4.90 105.19 105.30 1bwm n GLY 53 Ca -0.17 0.02 -0.04 0.00 0.00 0.00 0.00 46.02 45.82 1bwm n GLY 53 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1bwm s SER 54 N -4.05 -0.99 0.09 1.61 0.15 -1.26 -5.04 113.70 104.21 1bwm s SER 54 Ca 0.02 -1.28 0.01 0.00 0.70 0.00 0.00 55.95 55.40 1bwm s SER 54 Cb -0.00 1.64 -0.04 0.00 -1.71 0.00 0.00 66.02 65.91 1bwm s SER 54 CO 0.59 -0.15 0.24 0.42 1.20 0.00 0.00 173.24 175.55 1bwm s THR 55 N 1.42 5.36 0.06 6.45 -4.23 -1.26 -4.38 115.64 119.06 1bwm s THR 55 Ca 0.21 -0.48 0.01 0.00 -1.18 0.00 0.00 61.69 60.25 1bwm s THR 55 Cb -0.04 -3.67 -0.03 0.00 1.34 0.00 0.00 72.50 70.09 1bwm s THR 55 CO -0.06 0.05 -0.06 -1.61 -0.54 0.00 0.00 174.62 172.40 1bwm s GLU 56 N -2.78 0.65 0.08 3.99 2.02 -0.75 -5.00 118.70 116.90 1bwm s GLU 56 Ca 0.35 -1.03 -0.24 0.00 0.02 0.00 0.00 54.97 54.07 1bwm s GLU 56 Cb -0.12 -0.17 -0.06 0.00 0.10 0.00 0.00 34.13 33.88 1bwm s GLU 56 CO 0.28 -0.00 0.73 0.15 0.02 0.00 0.00 175.26 176.44 1bwm s LYS 57 N -2.76 4.46 0.00 1.61 -0.14 -1.26 -2.91 119.74 118.74 1bwm s LYS 57 Ca 0.00 1.02 0.00 0.00 -1.36 0.00 0.00 55.97 55.63 1bwm s LYS 57 Cb -0.02 -3.32 0.00 0.00 -1.68 0.00 0.00 37.83 32.81 1bwm s LYS 57 CO -0.03 0.41 0.00 0.41 -0.76 0.00 0.00 175.35 175.38 1bwm n GLY 58 N 2.10 -0.27 0.03 -3.33 0.00 0.31 -4.82 105.19 99.21 1bwm n GLY 58 Ca -0.05 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1bwm n GLY 58 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1bwm n ASP 59 N 0.00 2.62 -4.89 1.61 -0.08 -1.00 -4.88 116.55 109.92 1bwm n ASP 59 Ca 0.00 0.00 -0.29 0.00 -1.51 0.00 0.00 54.79 52.99 1bwm n ASP 59 Cb 0.00 1.11 0.01 0.00 2.34 0.00 0.00 41.12 44.58 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 -2.48 4.71 0.00 5.18 -4.36 -1.26 -5.07 121.20 117.91 1bwm s ILE 60 Ca -0.04 0.46 0.00 0.00 -0.26 0.00 0.00 60.65 60.80 1bwm s ILE 60 Cb 0.05 -3.83 0.00 0.00 1.25 0.00 0.00 42.46 39.93 1bwm s ILE 60 CO 0.41 -0.93 0.00 -2.65 0.24 0.00 0.00 174.94 172.01 1bwm n PRO 61 N -2.49 1.54 -3.48 0.37 -0.02 -1.26 -5.01 135.00 124.64 1bwm n PRO 61 Ca 0.03 0.00 -0.19 0.00 -2.02 0.00 0.00 63.50 61.32 1bwm n PRO 61 Cb 0.55 0.00 -0.01 0.00 -0.02 0.00 0.00 33.50 34.02 1bwm n PRO 61 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1bwm s ASP 62 N -1.92 5.95 0.00 2.55 2.15 -1.26 -4.88 116.67 119.26 1bwm s ASP 62 Ca 0.00 -0.20 0.00 0.00 0.43 0.00 0.00 52.55 52.78 1bwm s ASP 62 Cb 0.00 -1.22 0.00 0.00 -0.30 0.00 0.00 42.92 41.40 1bwm s ASP 62 CO 0.00 -0.43 0.00 0.61 -0.17 0.00 0.00 175.17 175.18 1bwm n GLY 63 N -1.63 0.43 4.00 2.66 0.00 -1.26 -5.15 105.19 104.24 1bwm n GLY 63 Ca -0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 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 0.00 2.88 -0.10 1.61 -0.85 -1.26 -4.47 117.35 115.15 1bwm s TYR 65 Ca 0.00 -0.33 0.01 0.00 -0.52 0.00 0.00 57.07 56.23 1bwm s TYR 65 Cb 0.00 -2.33 0.02 0.00 0.38 0.00 0.00 41.96 40.03 1bwm s TYR 65 CO 0.00 -0.37 -0.12 0.21 -1.52 0.00 0.00 175.55 173.75 1bwm s LYS 66 N -4.35 1.90 0.30 -3.49 2.47 -0.61 -5.00 119.74 110.96 1bwm s LYS 66 Ca 0.53 -0.43 0.03 0.00 -1.56 0.00 0.00 55.97 54.54 1bwm s LYS 66 Cb -0.10 -1.70 -0.06 0.00 -1.46 0.00 0.00 37.83 34.51 1bwm s LYS 66 CO 0.33 -0.12 0.07 0.00 0.16 0.00 0.00 175.35 175.79 1bwm s ALA 67 N 1.16 2.14 -0.15 3.13 0.00 -1.26 -0.64 121.76 126.14 1bwm s ALA 67 Ca -0.04 -1.99 -0.21 0.00 0.00 0.00 0.00 51.96 49.72 1bwm s ALA 67 Cb -0.14 0.79 0.05 0.00 0.00 0.00 0.00 23.12 23.82 1bwm s ALA 67 CO -0.03 -0.36 0.54 -1.12 0.00 0.00 0.00 175.76 174.79 1bwm s SER 68 N -3.43 -0.53 -0.54 0.00 0.01 -0.57 -4.97 113.70 103.67 1bwm s SER 68 Ca 0.37 0.90 0.06 0.00 1.31 0.00 0.00 55.95 58.59 1bwm s SER 68 Cb 0.08 0.91 0.23 0.00 0.21 0.00 0.00 66.02 67.45 1bwm s SER 68 CO 0.15 -0.30 0.60 -1.14 0.41 0.00 0.00 173.24 172.96 1bwm n ARG 69 N 2.25 1.62 -0.30 12.44 3.00 -1.26 -2.70 116.66 131.72 1bwm n ARG 69 Ca -0.16 -4.03 -0.01 0.00 -0.00 0.00 0.00 57.85 53.65 1bwm n ARG 69 Cb 0.56 -1.86 0.11 0.00 0.00 0.00 0.00 32.46 31.28 1bwm n ARG 69 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.63 176.63 1bwm h PRO 70 N 4.40 0.95 -5.73 -0.14 0.13 -1.96 0.91 132.00 130.55 1bwm h PRO 70 Ca 0.16 -0.06 -0.48 0.00 -0.87 0.00 0.00 66.00 64.75 1bwm h PRO 70 Cb 0.77 -0.21 -0.17 0.00 0.13 0.00 0.00 31.00 31.52 1bwm h PRO 70 CO 0.65 0.63 -0.76 -1.12 -0.23 0.00 0.00 178.00 177.17 1bwm s SER 71 N -5.80 2.55 0.52 1.44 0.01 -1.23 -4.38 113.70 106.82 1bwm s SER 71 Ca -0.13 -0.91 0.28 0.00 1.31 0.00 0.00 55.95 56.50 1bwm s SER 71 Cb 0.17 -0.14 1.45 0.00 0.21 0.00 0.00 66.02 67.71 1bwm s SER 71 CO 0.79 -0.10 2.06 -0.61 0.41 0.00 0.00 173.24 175.79 1bwm h GLN 72 N 3.03 0.00 0.00 12.44 4.15 -1.84 -2.71 115.11 130.18 1bwm h GLN 72 Ca -0.40 0.00 -0.10 0.00 0.77 0.00 0.00 58.65 58.92 1bwm h GLN 72 Cb 1.21 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.88 1bwm h GLN 72 CO 0.55 0.11 -1.93 0.39 -1.93 0.00 0.00 178.83 176.02 1bwm n GLU 73 N -3.55 0.66 -3.90 1.69 1.02 -1.26 -4.71 120.64 110.60 1bwm n GLU 73 Ca -0.02 -0.09 -0.35 0.00 -0.02 0.00 0.00 57.16 56.69 1bwm n GLU 73 Cb 0.25 -1.58 -0.09 0.00 -0.02 0.00 0.00 31.44 30.00 1bwm n GLU 73 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1bwm s ASN 74 N -4.93 5.80 -0.18 1.62 3.84 -1.02 0.22 114.94 120.28 1bwm s ASN 74 Ca -0.07 0.11 -0.14 0.00 0.21 0.00 0.00 52.86 52.97 1bwm s ASN 74 Cb 0.11 -2.01 0.05 0.00 -0.55 0.00 0.00 41.25 38.86 1bwm s ASN 74 CO 0.87 0.16 0.46 0.12 -2.79 0.00 0.00 177.10 175.92 1bwm s PHE 75 N 0.48 -0.59 -0.02 0.43 5.36 -1.02 -3.50 117.98 119.13 1bwm s PHE 75 Ca 0.05 1.34 -0.24 0.00 -0.96 0.00 0.00 56.93 57.11 1bwm s PHE 75 Cb -0.12 0.24 0.05 0.00 -0.34 0.00 0.00 43.02 42.85 1bwm s PHE 75 CO 0.00 -0.30 0.53 -1.12 -1.46 0.00 0.00 175.22 172.87 1bwm s SER 76 N 0.78 -0.47 0.25 6.13 0.01 -1.10 -1.71 113.70 117.59 1bwm s SER 76 Ca -0.04 0.43 -0.15 0.00 1.31 0.00 0.00 55.95 57.50 1bwm s SER 76 Cb -0.05 0.46 0.00 0.00 0.21 0.00 0.00 66.02 66.64 1bwm s SER 76 CO -0.06 -0.57 0.53 -1.48 0.41 0.00 0.00 173.24 172.07 1bwm s LEU 77 N -1.35 0.18 0.23 2.44 0.05 -1.08 -1.51 118.68 117.65 1bwm s LEU 77 Ca -0.11 -0.83 -0.11 0.00 0.05 0.00 0.00 54.13 53.13 1bwm s LEU 77 Cb -0.02 2.00 -0.01 0.00 -2.05 0.00 0.00 46.19 46.12 1bwm s LEU 77 CO 0.06 -1.18 0.42 0.27 -0.55 0.00 0.00 176.35 175.37 1bwm s ILE 78 N -3.99 0.01 0.16 1.48 -0.00 0.19 -2.63 121.20 116.41 1bwm s ILE 78 Ca 0.19 -1.46 0.10 0.00 -0.00 0.00 0.00 60.65 59.49 1bwm s ILE 78 Cb -0.02 -2.19 -0.04 0.00 -0.00 0.00 0.00 42.46 40.21 1bwm s ILE 78 CO 0.08 -0.03 -0.20 -0.76 -0.00 0.00 0.00 174.94 174.03 1bwm s LEU 79 N -3.03 2.58 -0.03 0.37 2.01 -0.96 -1.57 118.68 118.05 1bwm s LEU 79 Ca 0.24 -0.70 0.22 0.00 0.01 0.00 0.00 54.13 53.89 1bwm s LEU 79 Cb 0.01 -1.38 0.40 0.00 0.01 0.00 0.00 46.19 45.23 1bwm s LEU 79 CO 0.08 0.15 1.17 -0.62 1.01 0.00 0.00 176.35 178.14 1bwm n GLU 80 N 0.52 0.27 -2.71 1.70 1.02 -1.26 -2.62 120.64 117.55 1bwm n GLU 80 Ca -0.14 -2.16 -0.06 0.00 -0.02 0.00 0.00 57.16 54.78 1bwm n GLU 80 Cb 0.54 -0.30 0.06 0.00 -0.02 0.00 0.00 31.44 31.71 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 0.19 -2.18 -4.57 -4.62 0.00 -1.26 -4.91 117.00 99.65 1bwm n LEU 81 Ca 0.08 -2.46 -0.34 0.00 0.00 0.00 0.00 56.01 53.28 1bwm n LEU 81 Cb 1.04 0.69 -0.11 0.00 0.00 0.00 0.00 43.42 45.05 1bwm n LEU 81 CO -0.04 1.76 -0.32 0.00 0.00 0.00 0.00 177.39 178.79 1bwm s ALA 82 N 0.49 3.17 0.41 1.96 0.00 -1.26 -4.91 121.76 121.62 1bwm s ALA 82 Ca 0.29 -0.79 0.08 0.00 0.00 0.00 0.00 51.96 51.53 1bwm s ALA 82 Cb 0.19 -1.65 -0.04 0.00 0.00 0.00 0.00 23.12 21.62 1bwm s ALA 82 CO -0.15 0.26 0.24 0.95 0.00 0.00 0.00 175.76 177.06 1bwm s THR 83 N 0.17 2.51 -0.02 0.00 -4.23 -1.26 0.09 115.64 112.90 1bwm s THR 83 Ca 0.01 -1.58 -0.02 0.00 -1.18 0.00 0.00 61.69 58.92 1bwm s THR 83 Cb -0.13 -3.00 -0.09 0.00 1.34 0.00 0.00 72.50 70.62 1bwm s THR 83 CO 0.02 -0.02 1.56 -0.81 -0.54 0.00 0.00 174.62 174.83 1bwm n PRO 84 N -1.33 0.69 0.00 3.99 -0.05 -1.19 -2.37 135.00 134.74 1bwm n PRO 84 Ca 0.00 -0.36 0.00 0.00 -0.05 0.00 0.00 63.50 63.09 1bwm n PRO 84 Cb 0.63 -1.69 0.00 0.00 -0.05 0.00 0.00 33.50 32.39 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 2.88 0.00 0.00 3.54 2.88 -1.26 -4.78 113.62 116.88 1bwm n SER 85 Ca 0.15 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.69 1bwm n SER 85 Cb 0.30 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.76 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 0.19 -0.40 -1.46 6.02 -1.00 -5.12 117.38 115.61 1bwm n GLN 86 Ca 0.00 0.00 -0.22 0.00 -0.01 0.00 0.00 57.00 56.77 1bwm n GLN 86 Cb 0.00 -0.36 0.21 0.00 1.02 0.00 0.00 30.24 31.10 1bwm n GLN 86 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1bwm n THR 87 N -0.48 0.00 -3.47 5.09 -1.04 -1.25 -4.98 114.28 108.14 1bwm n THR 87 Ca 0.00 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 1bwm n THR 87 Cb 0.00 -0.69 0.00 0.00 -1.82 0.00 0.00 70.33 67.82 1bwm n THR 87 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1bwm n SER 88 N -3.09 0.00 -4.50 8.00 3.41 -0.99 -4.84 113.62 111.61 1bwm n SER 88 Ca 0.09 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.36 1bwm n SER 88 Cb 0.43 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.27 1bwm n SER 88 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1bwm s VAL 89 N -3.00 4.07 -0.12 -3.33 1.01 -1.20 -2.14 120.40 115.69 1bwm s VAL 89 Ca 0.00 -0.28 -0.20 0.00 0.00 0.00 0.00 61.98 61.50 1bwm s VAL 89 Cb 0.00 -2.82 -0.04 0.00 0.00 0.00 0.00 36.38 33.52 1bwm s VAL 89 CO 0.00 0.46 0.55 -0.31 0.00 0.00 0.00 175.10 175.79 1bwm s TYR 90 N 0.65 3.50 -0.09 5.22 1.51 0.18 -2.59 117.35 125.73 1bwm s TYR 90 Ca -0.01 0.97 0.03 0.00 -1.01 0.00 0.00 57.07 57.05 1bwm s TYR 90 Cb -0.14 -2.64 0.01 0.00 -0.11 0.00 0.00 41.96 39.08 1bwm s TYR 90 CO 0.02 0.10 -0.18 -0.06 -1.11 0.00 0.00 175.55 174.31 1bwm s PHE 91 N 0.87 2.07 -0.24 2.71 0.08 -1.08 -2.00 117.98 120.40 1bwm s PHE 91 Ca 0.29 -0.86 -0.06 0.00 0.12 0.00 0.00 56.93 56.42 1bwm s PHE 91 Cb -0.16 -1.44 -0.02 0.00 -0.57 0.00 0.00 43.02 40.84 1bwm s PHE 91 CO 0.12 -0.39 0.01 0.00 -0.10 0.00 0.00 175.22 174.86 1bwm s ALA 93 N 1.54 1.61 0.00 0.00 0.00 -0.96 -1.00 121.76 122.96 1bwm s ALA 93 Ca 0.06 -1.59 0.00 0.00 0.00 0.00 0.00 51.96 50.43 1bwm s ALA 93 Cb -0.15 0.18 0.00 0.00 0.00 0.00 0.00 23.12 23.15 1bwm s ALA 93 CO 0.00 -0.13 0.00 0.45 0.00 0.00 0.00 175.76 176.08 1bwm n SER 94 N -0.28 1.13 0.00 0.00 2.88 -1.19 -0.76 113.62 115.40 1bwm n SER 94 Ca -0.08 -0.08 0.00 0.00 -1.33 0.00 0.00 58.87 57.37 1bwm n SER 94 Cb 0.62 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.08 1bwm n SER 94 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1bwm n GLY 95 N 2.84 2.43 0.00 0.46 0.00 -0.96 -2.49 105.19 107.47 1bwm n GLY 95 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.64 4.74 3.16 -0.02 0.00 -1.26 -3.22 105.19 107.96 1bwm n GLY 96 Ca 0.00 -1.98 -0.27 0.00 0.00 0.00 0.00 46.02 43.77 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 2.18 1.88 0.00 1.61 -1.52 -1.26 -4.77 119.66 117.78 1bwm s GLN 97 Ca 0.00 -0.67 0.00 0.00 -1.95 0.00 0.00 55.36 52.74 1bwm s GLN 97 Cb 0.00 -1.65 0.00 0.00 -0.22 0.00 0.00 33.01 31.14 1bwm s GLN 97 CO 0.00 0.29 0.00 0.41 -0.25 0.00 0.00 175.29 175.74 1bwm n GLY 98 N 3.04 1.43 2.40 3.09 0.00 -1.26 -4.77 105.19 109.12 1bwm n GLY 98 Ca -0.18 -0.76 -0.26 0.00 0.00 0.00 0.00 46.02 44.82 1bwm n GLY 98 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bwm n ARG 99 N 0.00 1.50 -3.99 1.61 1.74 -1.26 -5.08 116.66 111.18 1bwm n ARG 99 Ca 0.00 -3.95 -0.11 0.00 -0.77 0.00 0.00 57.85 53.02 1bwm n ARG 99 Cb 0.00 -1.82 -0.12 0.00 -1.02 0.00 0.00 32.46 29.50 1bwm n ARG 99 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1bwm s ALA 104 N -1.57 0.23 0.00 7.54 0.00 -1.26 -5.04 121.76 121.65 1bwm s ALA 104 Ca 0.35 -0.48 0.00 0.00 0.00 0.00 0.00 51.96 51.83 1bwm s ALA 104 Cb 0.12 0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.31 1bwm s ALA 104 CO -0.09 -0.07 0.00 -0.85 0.00 0.00 0.00 175.76 174.75 1bwm n GLU 105 N 1.98 1.84 -3.18 0.00 0.28 -1.26 -4.71 120.64 115.59 1bwm n GLU 105 Ca -0.20 0.00 -0.39 0.00 -0.16 0.00 0.00 57.16 56.41 1bwm n GLU 105 Cb 0.56 0.00 -0.05 0.00 1.43 0.00 0.00 31.44 33.38 1bwm n GLU 105 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 177.13 175.83 1bwm s GLN 106 N -0.07 4.37 -1.07 3.44 2.00 -1.26 -4.42 119.66 122.64 1bwm s GLN 106 Ca 0.00 0.70 -0.05 0.00 -2.00 0.00 0.00 55.36 54.01 1bwm s GLN 106 Cb 0.00 -3.41 0.30 0.00 0.80 0.00 0.00 33.01 30.70 1bwm s GLN 106 CO 0.00 0.19 1.36 1.19 -0.50 0.00 0.00 175.29 177.53 1bwm n PHE 107 N 3.41 3.07 -1.91 1.67 3.01 -1.04 -4.67 117.46 121.00 1bwm n PHE 107 Ca -0.05 -2.99 -0.42 0.00 1.01 0.00 0.00 57.45 55.00 1bwm n PHE 107 Cb 0.51 -1.34 -0.03 0.00 -0.01 0.00 0.00 39.48 38.62 1bwm n PHE 107 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 1bwm s PHE 108 N -2.40 1.78 0.00 1.38 0.08 -1.26 -3.15 117.98 114.41 1bwm s PHE 108 Ca 0.31 0.03 0.00 0.00 0.12 0.00 0.00 56.93 57.39 1bwm s PHE 108 Cb 0.01 -4.01 0.00 0.00 -0.57 0.00 0.00 43.02 38.46 1bwm s PHE 108 CO 0.05 -4.30 0.00 0.41 -0.10 0.00 0.00 175.22 171.29 1bwm n GLY 109 N 4.29 0.97 0.00 4.36 0.00 -0.17 -4.80 105.19 109.83 1bwm n GLY 109 Ca 0.18 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.74 1bwm n GLY 109 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1bwm n PRO 110 N 0.00 1.53 -3.64 1.61 -0.04 -1.26 -4.81 135.00 128.39 1bwm n PRO 110 Ca 0.00 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.43 1bwm n PRO 110 Cb 0.00 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.39 1bwm n PRO 110 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1bwm s GLY 111 N -0.50 -0.03 -0.07 0.55 0.00 -1.26 -4.45 107.32 101.56 1bwm s GLY 111 Ca 0.00 3.09 0.00 0.00 0.00 0.00 0.00 44.72 47.81 1bwm s GLY 111 CO 0.00 2.52 -0.05 -1.59 0.00 0.00 0.00 173.10 173.98 1bwm s THR 112 N 1.25 3.89 -0.20 0.90 2.01 -0.85 -4.96 115.64 117.69 1bwm s THR 112 Ca -0.08 -0.41 -0.02 0.00 0.31 0.00 0.00 61.69 61.49 1bwm s THR 112 Cb -0.04 -2.61 0.06 0.00 0.01 0.00 0.00 72.50 69.92 1bwm s THR 112 CO -0.14 0.60 0.01 0.00 -0.69 0.00 0.00 174.62 174.39 1bwm s ARG 113 N -0.85 0.94 0.06 4.92 1.04 -1.26 0.50 118.95 124.30 1bwm s ARG 113 Ca 0.13 -0.54 0.05 0.00 -1.04 0.00 0.00 55.73 54.33 1bwm s ARG 113 Cb -0.11 -2.16 -0.03 0.00 -2.04 0.00 0.00 34.95 30.61 1bwm s ARG 113 CO 0.02 -0.60 -0.14 -0.48 -0.04 0.00 0.00 175.30 174.06 1bwm s LEU 114 N 1.74 2.24 0.04 -1.89 0.05 -0.91 -4.78 118.68 115.17 1bwm s LEU 114 Ca -0.02 -0.55 0.07 0.00 0.05 0.00 0.00 54.13 53.68 1bwm s LEU 114 Cb -0.17 -0.52 -0.03 0.00 -2.05 0.00 0.00 46.19 43.43 1bwm s LEU 114 CO -0.07 -0.05 -0.20 -0.89 -0.55 0.00 0.00 176.35 174.59 1bwm s THR 115 N -1.12 1.61 -0.35 5.48 2.01 -1.26 -2.35 115.64 119.65 1bwm s THR 115 Ca -0.01 -1.19 -0.10 0.00 0.31 0.00 0.00 61.69 60.70 1bwm s THR 115 Cb -0.09 -1.41 0.02 0.00 0.01 0.00 0.00 72.50 71.03 1bwm s THR 115 CO 0.02 0.18 0.17 -0.69 -0.69 0.00 0.00 174.62 173.60 1bwm s VAL 116 N -0.82 4.38 0.45 3.82 1.01 -1.25 -2.62 120.40 125.37 1bwm s VAL 116 Ca 0.07 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.22 1bwm s VAL 116 Cb -0.09 -3.40 0.00 0.00 0.00 0.00 0.00 36.38 32.89 1bwm s VAL 116 CO 0.02 -0.15 0.00 -0.11 0.00 0.00 0.00 175.10 174.86 1bwm n LEU 116 N 4.95 -3.70 -4.74 3.92 -0.00 -1.15 -3.19 117.00 113.09 1bwm n LEU 116 Ca -0.12 2.97 -0.35 0.00 -0.00 0.00 0.00 56.01 58.50 1bwm n LEU 116 Cb 0.46 -2.83 -0.08 0.00 -0.00 0.00 0.00 43.42 40.97 1bwm n LEU 116 CO 0.35 0.04 -0.17 -0.83 -0.00 0.00 0.00 177.39 176.77 1bwm s GLY 201 N -2.82 2.06 -0.01 -3.96 0.00 -1.26 -4.62 107.32 96.71 1bwm s GLY 201 Ca 0.00 -0.68 -0.00 0.00 0.00 0.00 0.00 44.72 44.04 1bwm s GLY 201 CO 0.00 0.12 -0.01 -1.14 0.00 0.00 0.00 173.10 172.07 1bwm n SER 202 N 3.42 2.68 -1.74 1.64 3.41 -1.26 -5.11 113.62 116.67 1bwm n SER 202 Ca -0.16 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.45 1bwm n SER 202 Cb 0.52 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 1bwm n SER 202 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1bwm n ASP 203 N -2.69 -8.54 -4.90 4.04 -0.08 -1.26 -5.02 116.55 98.10 1bwm n ASP 203 Ca -0.01 1.21 -0.20 0.00 -1.51 0.00 0.00 54.79 54.28 1bwm n ASP 203 Cb 0.51 -4.47 -0.02 0.00 2.34 0.00 0.00 41.12 39.48 1bwm n ASP 203 CO 0.00 0.00 0.00 -0.47 0.12 0.00 0.00 177.20 176.85 1bwm s TYR 204 N -1.47 2.67 -0.37 -0.67 5.04 -1.26 -4.82 117.35 116.47 1bwm s TYR 204 Ca 0.00 -0.49 -0.19 0.00 -2.44 0.00 0.00 57.07 53.95 1bwm s TYR 204 Cb 0.00 -2.20 0.03 0.00 0.35 0.00 0.00 41.96 40.13 1bwm s TYR 204 CO 0.00 -0.20 0.46 1.63 -1.34 0.00 0.00 175.55 176.09 1bwm n LYS 205 N -1.62 -2.23 0.00 4.97 5.02 -1.26 -4.97 118.16 118.07 1bwm n LYS 205 Ca 0.04 1.90 -0.00 0.00 -2.02 0.00 0.00 58.31 58.23 1bwm n LYS 205 Cb 0.61 -4.11 -0.00 0.00 -0.02 0.00 0.00 35.03 31.52 1bwm n LYS 205 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 1bwm h ASP 206 N 2.37 -0.00 0.00 4.39 5.19 -1.99 -3.44 116.42 122.94 1bwm h ASP 206 Ca -0.16 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.25 1bwm h ASP 206 Cb 0.96 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.47 1bwm h ASP 206 CO 0.17 0.00 0.00 -0.67 -3.12 0.00 0.00 179.24 175.62 1bwm n ASP 207 N -2.02 0.00 -3.68 6.45 2.03 -1.26 -5.07 116.55 113.00 1bwm n ASP 207 Ca -0.00 0.19 -0.01 0.00 0.52 0.00 0.00 54.79 55.49 1bwm n ASP 207 Cb 0.00 -0.10 -0.01 0.00 -0.72 0.00 0.00 41.12 40.29 1bwm n ASP 207 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1bwm s ASP 208 N -1.51 -0.11 -0.34 1.67 -1.08 -1.26 -5.13 116.67 108.91 1bwm s ASP 208 Ca 0.00 -0.28 0.01 0.00 -0.52 0.00 0.00 52.55 51.76 1bwm s ASP 208 Cb 0.00 0.32 0.11 0.00 -1.46 0.00 0.00 42.92 41.89 1bwm s ASP 208 CO 0.00 -0.60 0.11 -0.62 0.52 0.00 0.00 175.17 174.58 1bwm s ASP 209 N -2.99 4.17 0.00 -0.34 -1.08 -1.26 -4.63 116.67 110.54 1bwm s ASP 209 Ca 0.14 -1.97 0.00 0.00 -0.52 0.00 0.00 52.55 50.20 1bwm s ASP 209 Cb 0.02 -1.11 -0.00 0.00 -1.46 0.00 0.00 42.92 40.37 1bwm s ASP 209 CO -0.01 -0.38 0.00 0.29 0.52 0.00 0.00 175.17 175.60 1bwm n LYS 210 N 4.44 1.85 -0.71 4.34 4.76 -1.26 -5.05 118.16 126.53 1bwm n LYS 210 Ca 0.01 -0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.42 1bwm n LYS 210 Cb 0.40 0.01 0.00 0.00 -1.84 0.00 0.00 35.03 33.60 1bwm n LYS 210 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1bwm n ARG 211 N -0.01 2.32 -2.42 1.97 1.74 -1.26 -4.65 116.66 114.34 1bwm n ARG 211 Ca -0.00 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.95 1bwm n ARG 211 Cb 0.01 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.44 1bwm n ARG 211 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1bwm n SER 212 N -1.19 -4.03 0.00 0.55 7.64 -1.26 -4.48 113.62 110.85 1bwm n SER 212 Ca 0.00 0.18 0.00 0.00 1.01 0.00 0.00 58.87 60.06 1bwm n SER 212 Cb 0.00 -3.43 0.00 0.00 -1.01 0.00 0.00 64.21 59.77 1bwm n SER 212 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bwm n GLY 213 N -0.81 0.37 0.43 0.23 0.00 -1.26 -5.15 105.19 98.99 1bwm n GLY 213 Ca -0.15 -1.59 0.02 0.00 0.00 0.00 0.00 46.02 44.29 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 -3.05 0.16 -0.02 0.00 -1.26 -4.64 105.19 96.38 1bwm n GLY 214 Ca 0.00 -1.23 -0.02 0.00 0.00 0.00 0.00 46.02 44.78 1bwm n GLY 214 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1bwm h GLY 215 N -0.09 0.09 -4.48 -0.02 0.00 -1.92 -3.49 103.07 93.15 1bwm h GLY 215 Ca -0.02 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.21 1bwm h GLY 215 CO 0.01 0.09 -1.11 0.61 0.00 0.00 0.00 176.54 176.14 1bwm n GLY 216 N 0.11 -5.16 0.25 4.60 0.00 -1.26 -4.69 105.19 99.03 1bwm n GLY 216 Ca -0.02 0.78 0.05 0.00 0.00 0.00 0.00 46.02 46.82 1bwm n GLY 216 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1bwm h SER 217 N 3.51 0.17 -1.03 1.61 0.87 -1.95 -2.89 113.55 113.84 1bwm h SER 217 Ca -0.26 -0.02 -0.56 0.00 -1.23 0.00 0.00 61.79 59.72 1bwm h SER 217 Cb 0.58 -0.04 -0.15 0.00 -0.44 0.00 0.00 62.40 62.34 1bwm h SER 217 CO 0.00 0.24 1.00 0.61 -0.53 0.00 0.00 176.83 178.16 1bwm n GLY 218 N -1.16 4.55 2.75 5.77 0.00 -1.26 -4.33 105.19 111.51 1bwm n GLY 218 Ca -0.01 -1.90 -0.04 0.00 0.00 0.00 0.00 46.02 44.07 1bwm n GLY 218 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bwm n GLY 219 N 1.23 1.68 1.59 -0.02 0.00 -1.09 -4.92 105.19 103.66 1bwm n GLY 219 Ca 0.53 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.48 -0.13 3.72 -0.02 0.00 -1.26 -5.07 105.19 101.95 1bwm n GLY 220 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 1bwm n GLY 220 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bwm s GLY 221 N -4.73 1.98 -0.11 -0.02 0.00 -1.26 -4.96 107.32 98.22 1bwm s GLY 221 Ca 0.00 0.64 -0.24 0.00 0.00 0.00 0.00 44.72 45.12 1bwm s GLY 221 CO 0.00 1.03 0.74 0.23 0.00 0.00 0.00 173.10 175.10 1bwm h SER 222 N -0.95 0.22 -5.26 1.64 0.87 -2.01 -3.48 113.55 104.59 1bwm h SER 222 Ca -0.45 -0.92 -0.10 0.00 -1.23 0.00 0.00 61.79 59.09 1bwm h SER 222 Cb 1.27 -0.07 -0.12 0.00 -0.44 0.00 0.00 62.40 63.03 1bwm h SER 222 CO 0.48 1.27 -0.31 -0.83 -0.53 0.00 0.00 176.83 176.90 1bwm s GLY 223 N -4.45 0.46 -0.56 5.77 0.00 -1.26 -5.07 107.32 102.22 1bwm s GLY 223 Ca -0.18 -0.87 0.03 0.00 0.00 0.00 0.00 44.72 43.70 1bwm s GLY 223 CO 0.74 -0.82 1.39 0.61 0.00 0.00 0.00 173.10 175.02 1bwm n GLY 224 N -0.22 5.87 4.49 0.20 0.00 -1.26 -5.08 105.19 109.20 1bwm n GLY 224 Ca -0.07 -2.68 0.05 0.00 0.00 0.00 0.00 46.02 43.32 1bwm n GLY 224 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1bwm n SER 225 N -0.51 -4.33 -3.14 1.61 7.64 -1.26 -4.84 113.62 108.80 1bwm n SER 225 Ca 0.44 0.40 -0.11 0.00 1.01 0.00 0.00 58.87 60.60 1bwm n SER 225 Cb 0.54 -1.19 0.06 0.00 -1.01 0.00 0.00 64.21 62.61 1bwm n SER 225 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bwm n GLY 226 N -1.16 0.38 3.72 0.23 0.00 -1.26 -5.19 105.19 101.91 1bwm n GLY 226 Ca 0.00 -1.94 -0.33 0.00 0.00 0.00 0.00 46.02 43.75 1bwm n GLY 226 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bwm s ALA 227 N -3.12 2.01 0.00 4.61 0.00 -1.26 -5.19 121.76 118.81 1bwm s ALA 227 Ca 0.32 0.73 0.00 0.00 0.00 0.00 0.00 51.96 53.01 1bwm s ALA 227 Cb -0.02 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.67 1bwm s ALA 227 CO 0.21 -2.02 0.00 0.94 0.00 0.00 0.00 175.76 174.89 1bwm n GLN 301 N -3.12 0.00 -0.05 0.00 -0.06 -1.26 -5.21 117.38 107.69 1bwm n GLN 301 Ca 0.12 0.00 -0.09 0.00 -2.00 0.00 0.00 57.00 55.03 1bwm n GLN 301 Cb 0.51 0.00 -0.03 0.00 -4.06 0.00 0.00 30.24 26.66 1bwm n GLN 301 CO 0.00 0.00 0.00 1.04 -0.20 0.00 0.00 177.06 177.90 1bwm n GLN 302 N 0.00 0.31 -1.82 3.69 6.02 -1.26 -4.87 117.38 119.45 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 -1.04 0.02 0.00 1.02 0.00 0.00 30.24 30.24 1bwm n GLN 302 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1bwm s VAL 303 N -2.44 2.13 -0.30 5.09 1.01 -1.25 -3.63 120.40 121.01 1bwm s VAL 303 Ca -0.18 0.11 -0.12 0.00 0.00 0.00 0.00 61.98 61.79 1bwm s VAL 303 Cb 0.04 -3.07 0.14 0.00 0.00 0.00 0.00 36.38 33.50 1bwm s VAL 303 CO 0.26 0.02 0.76 -0.13 0.00 0.00 0.00 175.10 176.00 1bwm s ARG 304 N -2.45 0.49 0.31 2.72 0.52 -1.10 -4.20 118.95 115.24 1bwm s ARG 304 Ca 0.61 1.22 -0.23 0.00 -0.52 0.00 0.00 55.73 56.81 1bwm s ARG 304 Cb -0.43 0.73 -0.10 0.00 0.52 0.00 0.00 34.95 35.68 1bwm s ARG 304 CO 0.55 -0.17 0.87 -1.14 0.02 0.00 0.00 175.30 175.43 1bwm s GLN 305 N 2.74 4.40 -0.11 3.54 2.00 -1.24 -0.89 119.66 130.10 1bwm s GLN 305 Ca -0.05 1.13 -0.19 0.00 -2.00 0.00 0.00 55.36 54.24 1bwm s GLN 305 Cb -0.10 -2.70 -0.17 0.00 0.80 0.00 0.00 33.01 30.84 1bwm s GLN 305 CO -0.19 0.25 0.56 0.77 -0.50 0.00 0.00 175.29 176.19 1bwm h SER 306 N 2.98 -0.02 -0.57 6.67 0.02 -1.66 -3.34 113.55 117.62 1bwm h SER 306 Ca -0.47 -0.61 -0.01 0.00 -0.84 0.00 0.00 61.79 59.86 1bwm h SER 306 Cb 1.19 0.01 -0.03 0.00 0.14 0.00 0.00 62.40 63.71 1bwm h SER 306 CO 0.64 0.76 0.33 -0.65 -1.14 0.00 0.00 176.83 176.78 1bwm h PRO 307 N -0.97 0.81 -5.82 3.45 0.11 -1.89 -3.48 132.00 124.21 1bwm h PRO 307 Ca -0.00 -0.08 -0.17 0.00 0.11 0.00 0.00 66.00 65.86 1bwm h PRO 307 Cb 0.63 -0.17 0.01 0.00 0.11 0.00 0.00 31.00 31.58 1bwm h PRO 307 CO 0.00 0.59 -0.79 1.04 -0.21 0.00 0.00 178.00 178.63 1bwm n GLN 308 N -4.40 -2.17 -1.54 1.05 6.02 -1.25 -4.71 117.38 110.38 1bwm n GLN 308 Ca 0.06 1.82 0.03 0.00 -0.01 0.00 0.00 57.00 58.90 1bwm n GLN 308 Cb 0.09 -4.18 -0.02 0.00 1.02 0.00 0.00 30.24 27.15 1bwm n GLN 308 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1bwm n SER 309 N -0.31 -8.29 -3.58 1.08 3.41 -1.26 -4.91 113.62 99.76 1bwm n SER 309 Ca 0.03 1.79 -0.06 0.00 -0.26 0.00 0.00 58.87 60.37 1bwm n SER 309 Cb 0.56 -5.02 -0.03 0.00 -0.26 0.00 0.00 64.21 59.46 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 -5.75 -0.20 -0.33 1.04 0.20 -1.23 -4.84 118.68 107.58 1bwm s LEU 310 Ca 0.00 0.05 -0.10 0.00 0.69 0.00 0.00 54.13 54.76 1bwm s LEU 310 Cb 0.00 1.53 -0.00 0.00 -0.43 0.00 0.00 46.19 47.29 1bwm s LEU 310 CO 0.00 -0.30 0.18 -0.89 -0.29 0.00 0.00 176.35 175.05 1bwm s THR 311 N -2.30 4.72 0.13 3.68 2.01 -1.26 -2.68 115.64 119.94 1bwm s THR 311 Ca 0.07 -0.47 0.05 0.00 0.31 0.00 0.00 61.69 61.66 1bwm s THR 311 Cb -0.01 -3.46 -0.04 0.00 0.01 0.00 0.00 72.50 69.01 1bwm s THR 311 CO -0.05 -0.01 0.07 0.54 -0.69 0.00 0.00 174.62 174.48 1bwm s VAL 312 N 1.62 4.24 0.48 3.82 0.11 -1.03 -4.90 120.40 124.74 1bwm s VAL 312 Ca 0.04 -1.05 -0.17 0.00 -2.93 0.00 0.00 61.98 57.88 1bwm s VAL 312 Cb -0.17 -3.10 -0.08 0.00 -1.53 0.00 0.00 36.38 31.49 1bwm s VAL 312 CO 0.07 -0.00 0.94 0.26 -3.33 0.00 0.00 175.10 173.04 1bwm s TRP 313 N -1.56 3.42 -0.06 1.54 0.52 -1.26 -2.28 118.94 119.26 1bwm s TRP 313 Ca 0.29 1.44 -0.30 0.00 0.02 0.00 0.00 56.10 57.55 1bwm s TRP 313 Cb -0.11 -2.75 -0.06 0.00 -1.15 0.00 0.00 33.47 29.40 1bwm s TRP 313 CO 0.21 -0.26 1.81 -2.00 0.02 0.00 0.00 176.95 176.73 1bwm s GLU 314 N -3.81 4.01 0.00 4.98 -6.30 -1.26 -2.07 118.70 114.24 1bwm s GLU 314 Ca 0.58 2.24 0.00 0.00 -2.50 0.00 0.00 54.97 55.30 1bwm s GLU 314 Cb -0.10 -4.09 0.00 0.00 0.00 0.00 0.00 34.13 29.94 1bwm s GLU 314 CO 0.27 -1.08 0.00 0.41 0.02 0.00 0.00 175.26 174.88 1bwm n GLY 315 N 4.52 1.24 3.77 -1.50 0.00 -1.25 -5.05 105.19 106.91 1bwm n GLY 315 Ca 0.20 -0.38 -0.31 0.00 0.00 0.00 0.00 46.02 45.53 1bwm n GLY 315 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1bwm s GLU 316 N -2.00 2.19 0.50 1.61 2.12 -0.88 -4.73 118.70 117.50 1bwm s GLU 316 Ca 0.00 -2.27 0.07 0.00 0.36 0.00 0.00 54.97 53.13 1bwm s GLU 316 Cb 0.00 -1.68 0.02 0.00 0.26 0.00 0.00 34.13 32.73 1bwm s GLU 316 CO 0.00 -0.36 0.46 -0.08 -0.54 0.00 0.00 175.26 174.73 1bwm s THR 317 N -2.82 2.13 0.03 -1.70 -1.32 -1.26 -3.88 115.64 106.81 1bwm s THR 317 Ca 0.16 -1.35 -0.23 0.00 -1.21 0.00 0.00 61.69 59.06 1bwm s THR 317 Cb 0.02 -2.48 0.05 0.00 -1.51 0.00 0.00 72.50 68.58 1bwm s THR 317 CO 0.09 0.00 0.52 -0.89 -2.21 0.00 0.00 174.62 172.13 1bwm s THR 318 N -2.64 0.03 -0.33 5.08 2.01 -0.73 -4.94 115.64 114.13 1bwm s THR 318 Ca 0.44 -0.23 0.03 0.00 0.31 0.00 0.00 61.69 62.23 1bwm s THR 318 Cb -0.03 -0.95 0.10 0.00 0.01 0.00 0.00 72.50 71.63 1bwm s THR 318 CO 0.27 -0.13 0.06 -0.63 -0.69 0.00 0.00 174.62 173.50 1bwm s ILE 319 N -2.19 1.86 -0.10 1.82 1.09 -1.26 -2.40 121.20 120.02 1bwm s ILE 319 Ca -0.07 -2.04 -0.22 0.00 -1.10 0.00 0.00 60.65 57.22 1bwm s ILE 319 Cb -0.01 -2.37 -0.03 0.00 -1.06 0.00 0.00 42.46 38.99 1bwm s ILE 319 CO 0.00 -0.60 0.66 -0.76 -0.10 0.00 0.00 174.94 174.15 1bwm s LEU 320 N 1.12 4.27 -0.05 2.97 1.43 -1.03 -4.80 118.68 122.59 1bwm s LEU 320 Ca 0.10 1.07 0.06 0.00 -1.03 0.00 0.00 54.13 54.33 1bwm s LEU 320 Cb -0.19 -3.00 -0.01 0.00 0.03 0.00 0.00 46.19 43.02 1bwm s LEU 320 CO -0.13 -0.15 -0.25 0.21 0.23 0.00 0.00 176.35 176.27 1bwm s ASN 321 N 0.87 3.05 0.35 2.29 2.47 -1.26 -0.41 114.94 122.30 1bwm s ASN 321 Ca 0.34 -0.50 0.09 0.00 0.42 0.00 0.00 52.86 53.21 1bwm s ASN 321 Cb -0.17 -0.73 -0.06 0.00 -1.45 0.00 0.00 41.25 38.84 1bwm s ASN 321 CO 0.15 0.26 -0.02 0.00 -3.72 0.00 0.00 177.10 173.77 1bwm s SER 323 N -3.68 1.20 0.16 0.00 0.15 -0.07 -2.55 113.70 108.91 1bwm s SER 323 Ca 0.34 -1.63 -0.24 0.00 0.70 0.00 0.00 55.95 55.12 1bwm s SER 323 Cb 0.01 0.49 0.07 0.00 -1.71 0.00 0.00 66.02 64.88 1bwm s SER 323 CO 0.18 -0.98 0.68 -0.72 1.20 0.00 0.00 173.24 173.60 1bwm s TYR 324 N -3.68 -0.43 0.00 3.44 1.13 -1.24 -2.69 117.35 113.88 1bwm s TYR 324 Ca 0.40 0.18 0.14 0.00 -1.41 0.00 0.00 57.07 56.38 1bwm s TYR 324 Cb 0.04 0.59 0.23 0.00 -1.10 0.00 0.00 41.96 41.72 1bwm s TYR 324 CO 0.22 -0.87 1.07 0.39 -2.51 0.00 0.00 175.55 173.85 1bwm n GLU 325 N -0.38 0.00 -3.75 -3.49 1.02 -1.24 -4.90 120.64 107.91 1bwm n GLU 325 Ca -0.13 -1.51 -0.21 0.00 -0.02 0.00 0.00 57.16 55.30 1bwm n GLU 325 Cb 0.63 -0.15 -0.03 0.00 -0.02 0.00 0.00 31.44 31.87 1bwm n GLU 325 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1bwm s ASP 326 N -1.51 5.45 -0.16 1.62 2.15 -1.26 -4.99 116.67 117.97 1bwm s ASP 326 Ca 0.19 -0.42 0.15 0.00 0.43 0.00 0.00 52.55 52.89 1bwm s ASP 326 Cb 0.21 -1.05 0.42 0.00 -0.30 0.00 0.00 42.92 42.21 1bwm s ASP 326 CO -0.09 -0.36 1.21 -0.24 -0.17 0.00 0.00 175.17 175.51 1bwm n SER 327 N -1.43 1.63 -1.01 -0.34 2.88 -1.26 -4.72 113.62 109.37 1bwm n SER 327 Ca -0.02 -3.41 -0.04 0.00 -1.33 0.00 0.00 58.87 54.07 1bwm n SER 327 Cb 0.59 -0.47 -0.05 0.00 -0.75 0.00 0.00 64.21 63.54 1bwm n SER 327 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1bwm n THR 328 N -0.70 0.00 -3.47 2.46 5.66 -1.26 -5.12 114.28 111.85 1bwm n THR 328 Ca 0.16 -0.15 -0.36 0.00 -3.05 0.00 0.00 64.05 60.66 1bwm n THR 328 Cb 0.81 0.53 -0.06 0.00 -1.55 0.00 0.00 70.33 70.06 1bwm n THR 328 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 175.07 172.74 1bwm s PHE 329 N 0.00 3.62 -0.17 1.09 -0.12 -1.26 -4.36 117.98 116.78 1bwm s PHE 329 Ca 0.05 0.95 -0.16 0.00 -0.05 0.00 0.00 56.93 57.72 1bwm s PHE 329 Cb 0.06 -2.27 -0.12 0.00 -0.63 0.00 0.00 43.02 40.06 1bwm s PHE 329 CO -0.03 0.50 0.06 0.22 -0.05 0.00 0.00 175.22 175.93 1bwm h ASP 330 N 3.82 0.00 -2.03 1.98 1.82 -1.87 -3.47 116.42 116.68 1bwm h ASP 330 Ca -0.49 -0.29 -0.06 0.00 -0.39 0.00 0.00 57.03 55.80 1bwm h ASP 330 Cb 1.20 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.19 1bwm h ASP 330 CO 0.65 1.12 -0.02 0.00 -1.61 0.00 0.00 179.24 179.38 1bwm n TYR 331 N -4.53 -0.75 -3.72 0.28 0.18 -1.26 -4.74 117.16 102.62 1bwm n TYR 331 Ca -0.19 -0.51 -0.30 0.00 1.88 0.00 0.00 57.90 58.78 1bwm n TYR 331 Cb 0.47 0.14 -0.14 0.00 -0.38 0.00 0.00 39.34 39.42 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 -4.93 1.85 -0.60 -3.48 0.08 -1.26 -2.50 117.98 107.14 1bwm s PHE 332 Ca 0.06 -2.10 -0.26 0.00 0.12 0.00 0.00 56.93 54.75 1bwm s PHE 332 Cb -0.00 -1.79 -0.07 0.00 -0.57 0.00 0.00 43.02 40.58 1bwm s PHE 332 CO 0.04 -0.83 2.29 -1.25 -0.10 0.00 0.00 175.22 175.37 1bwm s PRO 333 N 0.97 2.10 -0.82 0.24 0.04 -1.22 -3.41 135.00 132.92 1bwm s PRO 333 Ca 0.14 0.98 -0.26 0.00 0.04 0.00 0.00 61.00 61.90 1bwm s PRO 333 Cb -0.21 -4.63 -0.11 0.00 0.04 0.00 0.00 34.50 29.60 1bwm s PRO 333 CO -0.11 -3.45 2.27 -1.58 0.04 0.00 0.00 177.00 174.17 1bwm s TRP 334 N 12.13 1.33 0.55 0.56 0.52 -0.75 -4.01 118.94 129.27 1bwm s TRP 334 Ca 0.90 1.59 -0.09 0.00 0.02 0.00 0.00 56.10 58.51 1bwm s TRP 334 Cb -0.15 -3.62 0.13 0.00 -1.15 0.00 0.00 33.47 28.69 1bwm s TRP 334 CO 0.20 -1.64 0.62 0.66 0.02 0.00 0.00 176.95 176.80 1bwm n TYR 335 N 17.24 -3.76 -3.84 -1.98 4.01 -0.34 -2.73 117.16 125.76 1bwm n TYR 335 Ca 0.44 -0.55 -0.10 0.00 -0.16 0.00 0.00 57.90 57.53 1bwm n TYR 335 Cb 0.45 -0.54 -0.06 0.00 -0.31 0.00 0.00 39.34 38.87 1bwm n TYR 335 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 1bwm s ARG 336 N -4.38 1.19 -0.23 -0.72 3.00 -0.63 -1.44 118.95 115.74 1bwm s ARG 336 Ca 0.37 -1.00 -0.10 0.00 -1.00 0.00 0.00 55.73 54.00 1bwm s ARG 336 Cb -0.02 0.43 0.09 0.00 0.00 0.00 0.00 34.95 35.45 1bwm s ARG 336 CO 0.27 -0.46 0.53 -1.14 0.00 0.00 0.00 175.30 174.50 1bwm s GLN 337 N -3.91 0.48 0.25 5.12 0.74 0.12 -2.35 119.66 120.12 1bwm s GLN 337 Ca 0.12 1.12 -0.01 0.00 0.05 0.00 0.00 55.36 56.64 1bwm s GLN 337 Cb 0.02 0.33 -0.04 0.00 1.10 0.00 0.00 33.01 34.42 1bwm s GLN 337 CO -0.03 -0.19 0.45 -0.06 -0.55 0.00 0.00 175.29 174.90 1bwm s PHE 338 N 2.17 3.48 0.44 1.67 0.08 -1.26 -1.56 117.98 123.01 1bwm s PHE 338 Ca -0.06 0.36 0.13 0.00 0.12 0.00 0.00 56.93 57.48 1bwm s PHE 338 Cb -0.10 -1.88 0.98 0.00 -0.57 0.00 0.00 43.02 41.46 1bwm s PHE 338 CO -0.16 0.30 2.00 -1.00 -0.10 0.00 0.00 175.22 176.27 1bwm h PRO 339 N 1.64 0.10 0.00 0.24 0.14 -1.91 -3.38 132.00 128.83 1bwm h PRO 339 Ca -0.49 -0.02 0.00 0.00 0.14 0.00 0.00 66.00 65.64 1bwm h PRO 339 Cb 1.20 -0.02 0.00 0.00 0.14 0.00 0.00 31.00 32.32 1bwm h PRO 339 CO 0.66 0.21 -0.60 0.41 0.14 0.00 0.00 178.00 178.82 1bwm n GLY 340 N -1.10 -0.02 3.45 1.56 0.00 -1.26 -5.06 105.19 102.75 1bwm n GLY 340 Ca -0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 1bwm n GLY 340 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bwm s LYS 341 N -2.00 -1.27 0.30 1.61 1.02 -1.26 -4.98 119.74 113.16 1bwm s LYS 341 Ca 0.00 0.83 -0.14 0.00 0.02 0.00 0.00 55.97 56.68 1bwm s LYS 341 Cb 0.00 -1.51 -0.09 0.00 -0.52 0.00 0.00 37.83 35.71 1bwm s LYS 341 CO 0.00 -3.96 0.70 -1.54 -0.92 0.00 0.00 175.35 169.63 1bwm s SER 342 N -2.38 6.76 0.94 2.83 1.04 -1.26 -3.98 113.70 117.64 1bwm s SER 342 Ca 0.69 1.22 -0.11 0.00 0.48 0.00 0.00 55.95 58.23 1bwm s SER 342 Cb -0.26 -2.35 0.16 0.00 0.10 0.00 0.00 66.02 63.67 1bwm s SER 342 CO 0.66 -0.17 1.12 -2.16 0.98 0.00 0.00 173.24 173.67 1bwm s PRO 343 N -2.91 0.86 0.03 4.02 0.04 -1.26 -4.50 135.00 131.28 1bwm s PRO 343 Ca 0.52 1.39 -0.24 0.00 0.04 0.00 0.00 61.00 62.72 1bwm s PRO 343 Cb -0.11 -1.72 0.06 0.00 0.04 0.00 0.00 34.50 32.77 1bwm s PRO 343 CO 0.18 -2.68 0.55 0.00 0.04 0.00 0.00 177.00 175.08 1bwm s ALA 344 N -2.66 -1.40 0.00 8.56 0.00 -0.99 -4.36 121.76 120.91 1bwm s ALA 344 Ca 0.66 0.72 -0.30 0.00 0.00 0.00 0.00 51.96 53.04 1bwm s ALA 344 Cb -0.22 0.33 -0.03 0.00 0.00 0.00 0.00 23.12 23.19 1bwm s ALA 344 CO 0.59 -0.49 1.01 -1.17 0.00 0.00 0.00 175.76 175.70 1bwm s LEU 345 N -1.84 4.36 -0.03 0.00 2.96 -1.26 -1.60 118.68 121.26 1bwm s LEU 345 Ca -0.06 1.71 -0.03 0.00 -0.22 0.00 0.00 54.13 55.53 1bwm s LEU 345 Cb -0.01 -3.57 -0.01 0.00 0.50 0.00 0.00 46.19 43.10 1bwm s LEU 345 CO 0.00 -0.30 -0.05 0.18 -1.32 0.00 0.00 176.35 174.86 1bwm n LEU 346 N 3.96 0.43 0.00 -0.68 4.77 -1.10 -4.95 117.00 119.43 1bwm n LEU 346 Ca 0.07 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.34 1bwm n LEU 346 Cb 0.50 -0.58 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 1bwm n LEU 346 CO 0.53 -0.49 0.00 2.30 -1.33 0.00 0.00 177.39 178.40 1bwm n ILE 347 N -2.84 0.00 -3.66 -0.08 -0.00 -1.23 -5.03 119.36 106.52 1bwm n ILE 347 Ca -0.02 0.00 -0.06 0.00 -0.00 0.00 0.00 62.75 62.67 1bwm n ILE 347 Cb 0.07 0.00 -0.07 0.00 -0.00 0.00 0.00 39.64 39.64 1bwm n ILE 347 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1bwm s ALA 348 N -1.47 -1.61 0.48 -1.28 0.00 -1.26 -1.81 121.76 114.80 1bwm s ALA 348 Ca 0.00 2.00 0.00 0.00 0.00 0.00 0.00 51.96 53.96 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 -0.70 0.00 0.44 0.00 0.00 0.00 175.76 175.50 1bwm n ILE 349 N 5.09 0.00 -0.41 0.00 -5.35 -1.22 -4.91 119.36 112.56 1bwm n ILE 349 Ca -0.14 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.34 1bwm n ILE 349 Cb 0.52 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.42 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 -3.44 7.28 2.88 -1.26 -4.20 113.62 114.89 1bwm n SER 350 Ca 0.00 -0.08 -0.18 0.00 -1.33 0.00 0.00 58.87 57.28 1bwm n SER 350 Cb 0.00 0.00 0.07 0.00 -0.75 0.00 0.00 64.21 63.53 1bwm n SER 350 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1bwm n LEU 351 N 0.00 -4.35 0.00 2.46 0.00 -1.26 -4.86 117.00 109.00 1bwm n LEU 351 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 56.01 55.28 1bwm n LEU 351 Cb 0.02 -3.01 0.00 0.00 0.00 0.00 0.00 43.42 40.43 1bwm n LEU 351 CO 0.00 0.29 -0.26 0.55 0.00 0.00 0.00 177.39 177.97 1bwm n VAL 352 N -3.83 0.00 -4.33 1.96 3.14 -1.26 -5.07 118.33 108.93 1bwm n VAL 352 Ca -0.19 0.00 -0.27 0.00 -2.96 0.00 0.00 64.34 60.91 1bwm n VAL 352 Cb 0.65 0.12 -0.10 0.00 -1.06 0.00 0.00 33.84 33.44 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 -1.21 3.97 0.57 6.55 0.01 -1.26 -5.00 113.70 117.34 1bwm s SER 353 Ca 0.00 -0.65 0.28 0.00 1.31 0.00 0.00 55.95 56.88 1bwm s SER 353 Cb 0.00 -0.57 1.53 0.00 0.21 0.00 0.00 66.02 67.19 1bwm s SER 353 CO 0.00 0.12 2.01 0.78 0.41 0.00 0.00 173.24 176.56 1bwm h ASN 354 N 3.12 0.00 -4.47 2.44 2.35 -1.96 -3.41 115.58 113.65 1bwm h ASN 354 Ca -0.47 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.23 1bwm h ASN 354 Cb 1.20 0.00 -0.20 0.00 0.05 0.00 0.00 38.32 39.37 1bwm h ASN 354 CO 0.51 0.00 0.17 -1.59 -1.65 0.00 0.00 177.43 174.87 1bwm s LYS 355 N -4.73 0.94 -0.08 0.81 0.00 -1.26 -2.44 119.74 112.97 1bwm s LYS 355 Ca -0.05 0.63 0.01 0.00 0.00 0.00 0.00 55.97 56.56 1bwm s LYS 355 Cb 0.16 0.45 0.02 0.00 0.00 0.00 0.00 37.83 38.46 1bwm s LYS 355 CO 0.60 -0.21 -0.10 0.15 0.00 0.00 0.00 175.35 175.78 1bwm s LYS 356 N -0.40 1.62 -0.20 1.78 -0.14 -1.08 -4.93 119.74 116.39 1bwm s LYS 356 Ca -0.05 -0.35 -0.06 0.00 -1.36 0.00 0.00 55.97 54.14 1bwm s LYS 356 Cb -0.03 -1.45 -0.03 0.00 -1.68 0.00 0.00 37.83 34.64 1bwm s LYS 356 CO 0.05 -0.07 0.04 -1.21 -0.76 0.00 0.00 175.35 173.40 1bwm s GLU 357 N 1.01 3.77 -0.45 1.68 2.02 -1.26 -1.81 118.70 123.65 1bwm s GLU 357 Ca -0.08 -0.44 0.07 0.00 0.02 0.00 0.00 54.97 54.54 1bwm s GLU 357 Cb -0.15 -3.17 0.24 0.00 0.10 0.00 0.00 34.13 31.15 1bwm s GLU 357 CO -0.00 0.09 0.56 -0.25 0.02 0.00 0.00 175.26 175.67 1bwm n ASP 358 N 4.06 0.99 0.00 -0.19 8.00 -1.09 -5.02 116.55 123.31 1bwm n ASP 358 Ca -0.17 -2.85 0.00 0.00 0.71 0.00 0.00 54.79 52.48 1bwm n ASP 358 Cb 0.52 -0.64 0.00 0.00 -0.02 0.00 0.00 41.12 40.98 1bwm n ASP 358 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1bwm n GLY 359 N 1.40 1.47 0.00 0.44 0.00 -1.26 -4.58 105.19 102.65 1bwm n GLY 359 Ca 0.24 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 4.04 -4.38 1.61 1.74 -1.26 -5.05 116.66 113.36 1bwm n ARG 361 Ca 0.00 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 56.83 1bwm n ARG 361 Cb 0.00 -0.62 -0.09 0.00 -1.02 0.00 0.00 32.46 30.73 1bwm n ARG 361 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 1bwm s PHE 362 N -1.18 2.47 0.15 -1.55 -0.12 -1.26 -4.82 117.98 111.67 1bwm s PHE 362 Ca 0.00 -0.28 0.01 0.00 -0.05 0.00 0.00 56.93 56.61 1bwm s PHE 362 Cb 0.00 -1.13 -0.04 0.00 -0.63 0.00 0.00 43.02 41.21 1bwm s PHE 362 CO 0.00 0.61 0.01 -0.08 -0.05 0.00 0.00 175.22 175.71 1bwm s THR 363 N -2.15 0.50 0.26 -4.49 -1.32 -1.22 -2.67 115.64 104.55 1bwm s THR 363 Ca 0.28 -1.95 0.09 0.00 -1.21 0.00 0.00 61.69 58.90 1bwm s THR 363 Cb -0.07 -2.04 -0.04 0.00 -1.51 0.00 0.00 72.50 68.84 1bwm s THR 363 CO 0.16 -0.53 0.00 0.27 -2.21 0.00 0.00 174.62 172.31 1bwm s ILE 364 N -3.77 3.49 -0.03 5.08 -0.00 -0.75 -1.27 121.20 123.94 1bwm s ILE 364 Ca 0.22 -1.87 0.05 0.00 -0.00 0.00 0.00 60.65 59.05 1bwm s ILE 364 Cb 0.06 -2.86 -0.01 0.00 -0.00 0.00 0.00 42.46 39.66 1bwm s ILE 364 CO 0.02 -0.36 -0.18 0.12 -0.00 0.00 0.00 174.94 174.54 1bwm s PHE 365 N -2.28 1.76 0.00 1.37 2.19 0.28 -2.63 117.98 118.68 1bwm s PHE 365 Ca 0.31 -0.44 -0.28 0.00 0.33 0.00 0.00 56.93 56.85 1bwm s PHE 365 Cb -0.07 -1.16 -0.04 0.00 -1.31 0.00 0.00 43.02 40.44 1bwm s PHE 365 CO 0.20 -0.12 0.88 0.12 1.83 0.00 0.00 175.22 178.13 1bwm s PHE 366 N -0.16 3.67 -0.32 10.12 5.36 -1.02 -2.66 117.98 132.97 1bwm s PHE 366 Ca 0.00 1.57 0.03 0.00 -0.96 0.00 0.00 56.93 57.58 1bwm s PHE 366 Cb -0.10 -3.00 0.09 0.00 -0.34 0.00 0.00 43.02 39.67 1bwm s PHE 366 CO 0.01 0.08 0.03 1.21 -1.46 0.00 0.00 175.22 175.09 1bwm s ASN 367 N 0.70 4.63 -0.07 6.13 3.84 -0.78 -4.97 114.94 124.42 1bwm s ASN 367 Ca 0.46 -1.97 -0.25 0.00 0.21 0.00 0.00 52.86 51.31 1bwm s ASN 367 Cb -0.20 -1.53 -0.24 0.00 -0.55 0.00 0.00 41.25 38.72 1bwm s ASN 367 CO 0.25 -0.35 1.00 0.11 -2.79 0.00 0.00 177.10 175.32 1bwm h LYS 368 N 7.69 0.12 -0.06 0.43 1.57 -1.95 0.93 116.57 125.30 1bwm h LYS 368 Ca -0.07 -0.13 0.02 0.00 -1.87 0.00 0.00 60.65 58.59 1bwm h LYS 368 Cb 1.02 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.37 1bwm h LYS 368 CO 0.50 0.89 0.14 -0.09 -0.57 0.00 0.00 179.45 180.33 1bwm h ARG 369 N -0.60 0.00 -0.00 3.15 2.43 -1.97 -1.94 114.38 115.44 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 0.96 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.51 1bwm h ARG 369 CO 0.04 0.00 -0.09 0.39 -1.51 0.00 0.00 179.97 178.80 1bwm n GLU 370 N -3.32 4.13 -3.10 0.20 -0.58 -1.20 -5.00 120.64 111.77 1bwm n GLU 370 Ca -0.01 -0.20 -0.21 0.00 -0.42 0.00 0.00 57.16 56.31 1bwm n GLU 370 Cb 0.22 -0.75 0.01 0.00 -0.57 0.00 0.00 31.44 30.35 1bwm n GLU 370 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1bwm n LYS 371 N -0.70 -3.68 -4.40 3.49 4.01 0.32 -4.95 118.16 112.25 1bwm n LYS 371 Ca 0.01 0.65 -0.20 0.00 -0.51 0.00 0.00 58.31 58.26 1bwm n LYS 371 Cb 0.05 -5.39 -0.10 0.00 -0.51 0.00 0.00 35.03 29.08 1bwm n LYS 371 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 1bwm s LYS 372 N -5.75 1.57 -0.15 1.97 1.02 -0.94 -4.61 119.74 112.85 1bwm s LYS 372 Ca 0.30 -1.87 0.00 0.00 0.02 0.00 0.00 55.97 54.43 1bwm s LYS 372 Cb -0.15 -0.58 0.03 0.00 -0.52 0.00 0.00 37.83 36.60 1bwm s LYS 372 CO 0.37 -0.25 -0.12 -0.51 -0.92 0.00 0.00 175.35 173.92 1bwm s LEU 373 N -3.42 1.65 0.02 3.17 1.02 -1.06 -1.87 118.68 118.19 1bwm s LEU 373 Ca 0.36 -0.51 0.01 0.00 0.02 0.00 0.00 54.13 54.01 1bwm s LEU 373 Cb 0.08 -1.10 -0.04 0.00 0.02 0.00 0.00 46.19 45.16 1bwm s LEU 373 CO 0.15 -0.09 0.04 -0.44 0.02 0.00 0.00 176.35 176.03 1bwm s SER 374 N 1.53 5.38 0.13 2.29 0.01 -1.09 -1.44 113.70 120.51 1bwm s SER 374 Ca 0.04 0.04 0.08 0.00 1.31 0.00 0.00 55.95 57.42 1bwm s SER 374 Cb -0.13 -1.46 -0.04 0.00 0.21 0.00 0.00 66.02 64.60 1bwm s SER 374 CO -0.10 0.25 -0.20 -0.22 0.41 0.00 0.00 173.24 173.38 1bwm s LEU 375 N -1.80 2.35 -0.08 2.44 0.20 0.45 0.10 118.68 122.35 1bwm s LEU 375 Ca 0.23 -0.75 -0.01 0.00 0.69 0.00 0.00 54.13 54.28 1bwm s LEU 375 Cb -0.12 -0.88 -0.03 0.00 -0.43 0.00 0.00 46.19 44.72 1bwm s LEU 375 CO 0.14 0.03 0.00 -1.00 -0.29 0.00 0.00 176.35 175.23 1bwm s HIS 376 N -1.46 3.15 -0.25 5.38 3.76 -0.40 -2.47 115.29 123.00 1bwm s HIS 376 Ca 0.10 0.18 -0.02 0.00 -0.15 0.00 0.00 55.06 55.17 1bwm s HIS 376 Cb -0.09 -1.78 0.12 0.00 1.11 0.00 0.00 32.58 31.95 1bwm s HIS 376 CO 0.05 0.47 0.28 -1.50 -0.85 0.00 0.00 174.74 173.19 1bwm s ILE 377 N -0.90 -0.40 0.36 0.60 1.10 -1.01 -3.43 121.20 117.51 1bwm s ILE 377 Ca 0.14 -0.30 0.08 0.00 -0.51 0.00 0.00 60.65 60.06 1bwm s ILE 377 Cb -0.11 -0.85 -0.05 0.00 0.15 0.00 0.00 42.46 41.59 1bwm s ILE 377 CO 0.03 -0.33 0.07 0.28 -2.11 0.00 0.00 174.94 172.88 1bwm s THR 378 N 2.37 2.61 -1.03 4.00 -1.32 -1.26 -1.78 115.64 119.23 1bwm s THR 378 Ca 0.09 -1.87 -0.13 0.00 -1.21 0.00 0.00 61.69 58.57 1bwm s THR 378 Cb -0.15 -2.88 -0.02 0.00 -1.51 0.00 0.00 72.50 67.94 1bwm s THR 378 CO -0.23 -0.15 0.79 -0.67 -2.21 0.00 0.00 174.62 172.15 1bwm n ASP 379 N -1.05 -5.95 -4.30 8.08 -0.08 -1.25 -4.99 116.55 107.01 1bwm n ASP 379 Ca -0.03 -0.81 -0.28 0.00 -1.51 0.00 0.00 54.79 52.16 1bwm n ASP 379 Cb 0.63 -3.89 -0.15 0.00 2.34 0.00 0.00 41.12 40.05 1bwm n ASP 379 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 1bwm s SER 380 N -3.33 2.86 -0.42 1.67 1.04 -1.26 -5.06 113.70 109.20 1bwm s SER 380 Ca 0.36 -0.55 0.09 0.00 0.48 0.00 0.00 55.95 56.32 1bwm s SER 380 Cb -0.11 -0.25 0.32 0.00 0.10 0.00 0.00 66.02 66.08 1bwm s SER 380 CO 0.82 0.22 0.89 1.67 0.98 0.00 0.00 173.24 177.82 1bwm n GLN 381 N 1.85 0.95 -1.67 4.02 7.27 -1.26 -3.89 117.38 124.65 1bwm n GLN 381 Ca -0.17 -2.63 -0.36 0.00 0.07 0.00 0.00 57.00 53.91 1bwm n GLN 381 Cb 0.52 -1.37 0.07 0.00 2.41 0.00 0.00 30.24 31.88 1bwm n GLN 381 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 1bwm s PRO 382 N -0.94 2.45 -0.37 3.69 0.04 -1.26 -4.85 135.00 133.76 1bwm s PRO 382 Ca 0.31 1.94 -0.28 0.00 0.04 0.00 0.00 61.00 63.02 1bwm s PRO 382 Cb 0.30 -1.85 -0.04 0.00 0.04 0.00 0.00 34.50 32.95 1bwm s PRO 382 CO -0.08 -1.64 2.02 0.20 0.04 0.00 0.00 177.00 177.54 1bwm s GLY 383 N -1.62 0.42 -1.41 0.56 0.00 -1.26 -1.62 107.32 102.39 1bwm s GLY 383 Ca 0.79 0.23 -0.00 0.00 0.00 0.00 0.00 44.72 45.74 1bwm s GLY 383 CO 0.41 3.58 0.03 1.34 0.00 0.00 0.00 173.10 178.46 1bwm n ASP 384 N 11.97 -4.94 -0.25 1.64 -0.08 -1.26 -4.71 116.55 118.92 1bwm n ASP 384 Ca 0.27 -0.03 0.00 0.00 -1.51 0.00 0.00 54.79 53.52 1bwm n ASP 384 Cb 0.48 -4.03 0.00 0.00 2.34 0.00 0.00 41.12 39.91 1bwm n ASP 384 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1bwm n SER 385 N -1.21 -2.20 -3.59 1.67 3.41 -0.64 -4.64 113.62 106.43 1bwm n SER 385 Ca -0.19 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.37 1bwm n SER 385 Cb 0.65 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.57 1bwm n SER 385 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bwm s ALA 386 N -1.49 -2.04 -0.14 7.33 0.00 -1.11 -4.78 121.76 119.54 1bwm s ALA 386 Ca 0.00 1.55 -0.02 0.00 0.00 0.00 0.00 51.96 53.49 1bwm s ALA 386 Cb 0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 23.12 22.92 1bwm s ALA 386 CO 0.00 -0.57 -0.08 0.95 0.00 0.00 0.00 175.76 176.07 1bwm s THR 387 N -2.34 3.55 -0.09 0.00 -4.23 -0.60 -2.06 115.64 109.86 1bwm s THR 387 Ca 0.08 -0.49 -0.12 0.00 -1.18 0.00 0.00 61.69 59.98 1bwm s THR 387 Cb -0.01 -2.52 -0.05 0.00 1.34 0.00 0.00 72.50 71.26 1bwm s THR 387 CO -0.05 0.52 0.28 -0.31 -0.54 0.00 0.00 174.62 174.52 1bwm s TYR 388 N 0.23 3.60 0.06 3.99 1.51 -0.83 -0.70 117.35 125.21 1bwm s TYR 388 Ca -0.05 0.70 0.04 0.00 -1.01 0.00 0.00 57.07 56.76 1bwm s TYR 388 Cb -0.14 -2.19 -0.04 0.00 -0.11 0.00 0.00 41.96 39.47 1bwm s TYR 388 CO 0.04 0.54 -0.03 -0.06 -1.11 0.00 0.00 175.55 174.93 1bwm s PHE 389 N -0.54 2.95 -0.09 2.71 0.40 -0.52 -1.97 117.98 120.93 1bwm s PHE 389 Ca 0.18 -0.03 0.01 0.00 -0.60 0.00 0.00 56.93 56.49 1bwm s PHE 389 Cb -0.14 -1.56 0.02 0.00 0.51 0.00 0.00 43.02 41.85 1bwm s PHE 389 CO 0.07 0.45 -0.10 0.00 0.70 0.00 0.00 175.22 176.33 1bwm n ALA 391 N 4.30 0.62 -2.14 0.00 0.00 -1.26 -2.76 120.51 119.28 1bwm n ALA 391 Ca -0.19 -1.81 -0.09 0.00 0.00 0.00 0.00 53.44 51.35 1bwm n ALA 391 Cb 0.51 1.47 -0.10 0.00 0.00 0.00 0.00 19.45 21.32 1bwm n ALA 391 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bwm s ALA 392 N -3.24 0.79 0.00 0.00 0.00 -0.31 -3.37 121.76 115.63 1bwm s ALA 392 Ca 0.37 -1.38 0.00 0.00 0.00 0.00 0.00 51.96 50.95 1bwm s ALA 392 Cb 0.02 0.55 0.00 0.00 0.00 0.00 0.00 23.12 23.69 1bwm s ALA 392 CO 0.26 -0.41 0.00 -2.37 0.00 0.00 0.00 175.76 173.25 1bwm n THR 393 N -0.03 0.00 0.00 0.00 5.66 -1.04 -1.22 114.28 117.65 1bwm n THR 393 Ca -0.09 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.91 1bwm n THR 393 Cb 0.62 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.40 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 4.86 2.57 3.46 1.09 0.00 -1.26 -3.61 105.19 112.30 1bwm n GLY 399 Ca 0.00 -0.31 -0.23 0.00 0.00 0.00 0.00 46.02 45.49 1bwm n GLY 399 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bwm s SER 400 N 0.00 2.42 0.41 1.61 0.01 -1.26 -4.79 113.70 112.10 1bwm s SER 400 Ca 0.00 -1.53 -0.27 0.00 1.31 0.00 0.00 55.95 55.46 1bwm s SER 400 Cb 0.00 0.25 -0.09 0.00 0.21 0.00 0.00 66.02 66.39 1bwm s SER 400 CO 0.00 -0.79 1.41 0.72 0.41 0.00 0.00 173.24 174.99 1bwm s PHE 401 N -3.32 2.62 -1.30 2.43 -0.12 -1.26 -2.96 117.98 114.08 1bwm s PHE 401 Ca 0.30 1.27 -0.07 0.00 -0.05 0.00 0.00 56.93 58.39 1bwm s PHE 401 Cb 0.05 -3.89 -0.00 0.00 -0.63 0.00 0.00 43.02 38.56 1bwm s PHE 401 CO 0.15 -2.70 0.60 0.09 -0.05 0.00 0.00 175.22 173.31 1bwm n ASN 402 N 0.17 -2.11 -3.57 1.98 4.13 -1.26 -4.97 115.26 109.63 1bwm n ASN 402 Ca 0.03 -0.97 -0.24 0.00 1.68 0.00 0.00 54.58 55.09 1bwm n ASN 402 Cb 0.41 -3.39 -0.16 0.00 -1.54 0.00 0.00 39.78 35.11 1bwm n ASN 402 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 1bwm s LYS 403 N -6.23 0.11 -0.11 3.52 2.47 -1.16 -5.11 119.74 113.23 1bwm s LYS 403 Ca 0.15 -0.02 -0.02 0.00 -1.56 0.00 0.00 55.97 54.52 1bwm s LYS 403 Cb -0.05 -1.59 0.04 0.00 -1.46 0.00 0.00 37.83 34.77 1bwm s LYS 403 CO 0.86 -0.69 0.04 -0.51 0.16 0.00 0.00 175.35 175.21 1bwm s LEU 404 N 2.20 0.59 -0.26 5.43 1.02 -1.26 -4.22 118.68 122.18 1bwm s LEU 404 Ca 0.04 -0.30 -0.08 0.00 0.02 0.00 0.00 54.13 53.81 1bwm s LEU 404 Cb -0.16 -0.38 -0.03 0.00 0.02 0.00 0.00 46.19 45.64 1bwm s LEU 404 CO -0.12 -0.26 0.09 -0.89 0.02 0.00 0.00 176.35 175.19 1bwm s THR 405 N 2.02 4.45 0.33 5.49 2.01 -0.36 -4.88 115.64 124.70 1bwm s THR 405 Ca 0.03 -0.14 0.06 0.00 0.31 0.00 0.00 61.69 61.95 1bwm s THR 405 Cb -0.14 -3.09 -0.01 0.00 0.01 0.00 0.00 72.50 69.26 1bwm s THR 405 CO -0.06 0.32 0.47 -0.36 -0.69 0.00 0.00 174.62 174.30 1bwm s PHE 406 N 1.63 3.19 -0.34 4.92 0.40 -1.26 -1.16 117.98 125.37 1bwm s PHE 406 Ca 0.06 -0.13 0.15 0.00 -0.60 0.00 0.00 56.93 56.42 1bwm s PHE 406 Cb -0.15 -1.95 0.44 0.00 0.51 0.00 0.00 43.02 41.87 1bwm s PHE 406 CO 0.05 0.04 1.18 0.41 0.70 0.00 0.00 175.22 177.60 1bwm n GLY 407 N -1.65 1.57 3.05 4.36 0.00 -1.11 -4.55 105.19 106.86 1bwm n GLY 407 Ca -0.02 -0.74 -0.07 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.52 -2.64 -1.00 4.61 0.00 -1.26 -3.88 120.51 115.82 1bwm n ALA 408 Ca 0.01 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.80 1bwm n ALA 408 Cb 0.83 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 19.00 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 0.71 -2.27 2.91 0.00 0.00 -1.26 -3.59 105.19 101.69 1bwm n GLY 409 Ca 0.00 -0.98 -0.17 0.00 0.00 0.00 0.00 46.02 44.87 1bwm n GLY 409 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bwm s THR 410 N 0.00 0.39 0.00 2.61 2.01 -0.83 -4.32 115.64 115.51 1bwm s THR 410 Ca 0.00 -0.13 0.00 0.00 0.31 0.00 0.00 61.69 61.87 1bwm s THR 410 Cb 0.00 -0.39 0.00 0.00 0.01 0.00 0.00 72.50 72.12 1bwm s THR 410 CO 0.00 0.15 0.00 -2.11 -0.69 0.00 0.00 174.62 171.97 1bwm n ARG 411 N 3.47 2.62 -3.63 4.92 1.85 -1.26 -1.97 116.66 122.66 1bwm n ARG 411 Ca -0.19 0.00 -0.10 0.00 -1.00 0.00 0.00 57.85 56.56 1bwm n ARG 411 Cb 0.55 0.00 -0.07 0.00 -1.05 0.00 0.00 32.46 31.89 1bwm n ARG 411 CO 0.00 0.00 0.00 -0.48 -0.01 0.00 0.00 177.63 177.14 1bwm s LEU 412 N 0.00 -0.49 0.06 2.89 0.05 -0.88 -3.48 118.68 116.83 1bwm s LEU 412 Ca 0.00 0.94 0.03 0.00 0.05 0.00 0.00 54.13 55.15 1bwm s LEU 412 Cb 0.00 1.97 -0.04 0.00 -2.05 0.00 0.00 46.19 46.07 1bwm s LEU 412 CO 0.00 -0.17 0.03 0.00 -0.55 0.00 0.00 176.35 175.66 1bwm s ALA 413 N 0.22 3.41 -0.99 1.48 0.00 -1.09 -2.74 121.76 122.04 1bwm s ALA 413 Ca 0.03 -1.02 -0.13 0.00 0.00 0.00 0.00 51.96 50.83 1bwm s ALA 413 Cb -0.05 -1.34 0.22 0.00 0.00 0.00 0.00 23.12 21.95 1bwm s ALA 413 CO -0.05 0.71 1.02 0.08 0.00 0.00 0.00 175.76 177.51 1bwm s VAL 414 N -1.28 5.57 -0.37 0.00 1.01 -1.26 -2.48 120.40 121.60 1bwm s VAL 414 Ca 0.25 -2.72 -0.20 0.00 0.00 0.00 0.00 61.98 59.31 1bwm s VAL 414 Cb -0.12 -4.61 0.03 0.00 0.00 0.00 0.00 36.38 31.68 1bwm s VAL 414 CO 0.17 -1.22 0.47 -1.20 0.00 0.00 0.00 175.10 173.32 1bwm n SER 415 N 4.04 -6.95 -2.93 3.32 7.64 -0.96 -4.76 113.62 113.02 1bwm n SER 415 Ca 0.21 0.41 0.00 0.00 1.01 0.00 0.00 58.87 60.50 1bwm n SER 415 Cb 0.44 -3.63 0.00 0.00 -1.01 0.00 0.00 64.21 60.01 1bwm n SER 415 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1bwm n PRO 416 N 0.08 -1.83 0.00 1.43 -0.05 -1.26 -5.00 135.00 128.37 1bwm n PRO 416 Ca 0.02 0.00 0.13 0.00 -0.05 0.00 0.00 63.50 63.59 1bwm n PRO 416 Cb 0.48 0.00 0.75 0.00 -0.05 0.00 0.00 33.50 34.68 1bwm n PRO 416 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 175.50 176.11