#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 0.38 -4.28 0.00 3.14 -1.26 -4.61 118.33 111.70 1bwm n VAL 4 Ca 0.00 -0.29 -0.14 0.00 -2.96 0.00 0.00 64.34 60.95 1bwm n VAL 4 Cb 0.00 -2.08 -0.04 0.00 -1.06 0.00 0.00 33.84 30.66 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 6.79 0.00 -3.73 1.55 -2.24 -1.10 -4.59 114.28 110.96 1bwm n THR 5 Ca 0.31 -1.42 -0.10 0.00 -2.27 0.00 0.00 64.05 60.58 1bwm n THR 5 Cb 0.34 0.54 -0.04 0.00 -2.10 0.00 0.00 70.33 69.07 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 -2.90 1.34 1.12 -0.78 2.00 -1.21 -2.69 119.66 116.53 1bwm s GLN 6 Ca 0.14 -0.85 -0.19 0.00 -2.00 0.00 0.00 55.36 52.46 1bwm s GLN 6 Cb 0.01 0.51 0.10 0.00 0.80 0.00 0.00 33.01 34.43 1bwm s GLN 6 CO 0.10 -0.56 -0.07 0.43 -0.50 0.00 0.00 175.29 174.69 1bwm n SER 7 N -0.33 -2.45 -3.66 6.67 7.64 0.16 -4.79 113.62 116.86 1bwm n SER 7 Ca -0.11 -0.15 -0.30 0.00 1.01 0.00 0.00 58.87 59.32 1bwm n SER 7 Cb 0.63 -0.92 0.28 0.00 -1.01 0.00 0.00 64.21 63.19 1bwm n SER 7 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 1bwm s PRO 8 N -3.37 -2.53 -0.24 1.43 0.02 -1.26 -4.58 135.00 124.46 1bwm s PRO 8 Ca 0.54 0.27 -0.07 0.00 0.02 0.00 0.00 61.00 61.75 1bwm s PRO 8 Cb -0.10 -1.41 -0.12 0.00 0.02 0.00 0.00 34.50 32.88 1bwm s PRO 8 CO 0.64 -4.65 -0.28 0.54 -0.33 0.00 0.00 177.00 172.93 1bwm n ARG 9 N -5.49 0.55 -1.83 5.54 1.74 -1.26 -4.38 116.66 111.53 1bwm n ARG 9 Ca 0.11 0.19 -0.29 0.00 -0.77 0.00 0.00 57.85 57.09 1bwm n ARG 9 Cb 0.59 -1.41 -0.04 0.00 -1.02 0.00 0.00 32.46 30.57 1bwm n ARG 9 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1bwm s ASN 10 N -6.86 4.74 -0.30 0.55 -0.87 -1.26 -4.01 114.94 106.92 1bwm s ASN 10 Ca -0.33 0.18 -0.10 0.00 -1.57 0.00 0.00 52.86 51.04 1bwm s ASN 10 Cb 0.11 -2.53 0.15 0.00 -0.02 0.00 0.00 41.25 38.96 1bwm s ASN 10 CO 0.47 -2.92 0.75 -0.54 -2.57 0.00 0.00 177.10 172.29 1bwm s LYS 11 N 7.72 0.48 0.29 -0.60 -0.14 -1.26 -5.11 119.74 121.13 1bwm s LYS 11 Ca 0.80 1.14 0.08 0.00 -1.36 0.00 0.00 55.97 56.64 1bwm s LYS 11 Cb -0.12 0.68 -0.06 0.00 -1.68 0.00 0.00 37.83 36.65 1bwm s LYS 11 CO 0.14 -0.25 -0.10 0.08 -0.76 0.00 0.00 175.35 174.46 1bwm s VAL 12 N 2.78 1.94 0.28 3.17 1.01 -1.26 -3.94 120.40 124.39 1bwm s VAL 12 Ca -0.00 -2.20 0.02 0.00 0.00 0.00 0.00 61.98 59.80 1bwm s VAL 12 Cb -0.11 -2.42 -0.05 0.00 0.00 0.00 0.00 36.38 33.80 1bwm s VAL 12 CO -0.19 -0.33 0.12 0.00 0.00 0.00 0.00 175.10 174.71 1bwm s ALA 13 N -2.82 1.86 0.23 5.51 0.00 -1.07 -4.93 121.76 120.54 1bwm s ALA 13 Ca 0.29 -1.80 0.00 0.00 0.00 0.00 0.00 51.96 50.45 1bwm s ALA 13 Cb 0.01 1.07 0.00 0.00 0.00 0.00 0.00 23.12 24.21 1bwm s ALA 13 CO 0.13 -0.47 0.02 1.33 0.00 0.00 0.00 175.76 176.76 1bwm n VAL 14 N -0.53 0.00 -1.43 0.00 0.24 -1.26 -2.33 118.33 113.02 1bwm n VAL 14 Ca 0.00 -1.06 -0.55 0.00 -2.04 0.00 0.00 64.34 60.69 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 -0.61 0.14 -3.48 3.34 -1.04 -1.26 -0.22 114.28 111.15 1bwm n THR 15 Ca -0.09 -0.13 -0.18 0.00 -2.04 0.00 0.00 64.05 61.61 1bwm n THR 15 Cb 0.28 -1.16 0.07 0.00 -1.82 0.00 0.00 70.33 67.70 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 6.44 -0.52 0.00 3.41 0.00 0.27 -4.96 105.19 109.82 1bwm n GLY 16 Ca 0.43 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.67 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 -1.29 1.21 0.00 -0.02 0.00 0.70 -4.79 105.19 101.00 1bwm n GLY 17 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1bwm n GLY 17 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1bwm n LYS 18 N 0.00 0.00 -3.68 1.61 5.02 -1.26 -4.81 118.16 115.03 1bwm n LYS 18 Ca 0.00 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 56.05 1bwm n LYS 18 Cb 0.00 0.00 -0.17 0.00 -0.02 0.00 0.00 35.03 34.84 1bwm n LYS 18 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1bwm s VAL 19 N -2.00 0.08 -0.28 -0.18 1.01 -1.09 -4.73 120.40 113.21 1bwm s VAL 19 Ca 0.00 0.04 -0.12 0.00 0.00 0.00 0.00 61.98 61.90 1bwm s VAL 19 Cb 0.00 -0.48 -0.05 0.00 0.00 0.00 0.00 36.38 35.85 1bwm s VAL 19 CO 0.00 -0.00 0.25 -0.89 0.00 0.00 0.00 175.10 174.45 1bwm s THR 20 N 2.08 5.27 -0.05 3.92 2.01 -1.26 -2.21 115.64 125.39 1bwm s THR 20 Ca 0.03 0.28 0.02 0.00 0.31 0.00 0.00 61.69 62.34 1bwm s THR 20 Cb -0.14 -3.58 0.01 0.00 0.01 0.00 0.00 72.50 68.80 1bwm s THR 20 CO -0.06 0.22 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.22 1bwm s LEU 21 N 1.85 1.64 -0.14 4.42 1.43 -0.47 -4.83 118.68 122.59 1bwm s LEU 21 Ca 0.09 -0.26 -0.02 0.00 -1.03 0.00 0.00 54.13 52.92 1bwm s LEU 21 Cb -0.16 -0.73 0.05 0.00 0.03 0.00 0.00 46.19 45.38 1bwm s LEU 21 CO 0.11 0.03 0.02 -0.94 0.23 0.00 0.00 176.35 175.80 1bwm s SER 22 N 0.58 2.32 0.02 2.29 1.04 -1.26 -1.58 113.70 117.11 1bwm s SER 22 Ca -0.11 -0.49 0.05 0.00 0.48 0.00 0.00 55.95 55.87 1bwm s SER 22 Cb -0.14 -0.52 -0.02 0.00 0.10 0.00 0.00 66.02 65.44 1bwm s SER 22 CO 0.03 -0.26 -0.14 0.00 0.98 0.00 0.00 173.24 173.85 1bwm s ASN 24 N -0.83 3.71 -0.09 0.00 -0.87 -1.10 -1.59 114.94 114.17 1bwm s ASN 24 Ca 0.03 -0.93 0.02 0.00 -1.57 0.00 0.00 52.86 50.40 1bwm s ASN 24 Cb -0.07 -0.38 0.01 0.00 -0.02 0.00 0.00 41.25 40.80 1bwm s ASN 24 CO 0.01 0.05 -0.13 -1.58 -2.57 0.00 0.00 177.10 172.88 1bwm s GLN 25 N -3.34 1.93 -0.32 -0.60 -0.44 0.24 -2.72 119.66 114.42 1bwm s GLN 25 Ca 0.28 -0.47 0.02 0.00 -2.50 0.00 0.00 55.36 52.69 1bwm s GLN 25 Cb -0.06 -1.64 0.13 0.00 -1.64 0.00 0.00 33.01 29.80 1bwm s GLN 25 CO 0.15 -0.03 1.15 -2.37 0.50 0.00 0.00 175.29 174.68 1bwm n THR 26 N 4.07 0.00 -1.55 -0.34 5.66 -1.26 -4.29 114.28 116.57 1bwm n THR 26 Ca -0.20 -0.65 0.05 0.00 -3.05 0.00 0.00 64.05 60.21 1bwm n THR 26 Cb 0.51 0.71 0.20 0.00 -1.55 0.00 0.00 70.33 70.21 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 -0.25 1.83 -2.11 1.09 2.85 -1.26 -4.55 115.26 112.85 1bwm n ASN 27 Ca -0.22 -3.84 -0.11 0.00 -0.11 0.00 0.00 54.58 50.30 1bwm n ASN 27 Cb 0.68 -0.53 0.04 0.00 1.24 0.00 0.00 39.78 41.20 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 -1.14 -3.33 -3.93 1.20 4.05 -1.26 -4.98 115.26 105.87 1bwm n ASN 28 Ca 0.20 -0.29 -0.25 0.00 0.45 0.00 0.00 54.58 54.69 1bwm n ASN 28 Cb 0.72 -2.79 -0.17 0.00 1.23 0.00 0.00 39.78 38.77 1bwm n ASN 28 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 177.26 173.21 1bwm s HIS 29 N -3.17 1.35 -2.08 1.20 3.76 -1.26 -4.58 115.29 110.51 1bwm s HIS 29 Ca 0.18 -0.59 0.13 0.00 -0.15 0.00 0.00 55.06 54.63 1bwm s HIS 29 Cb -0.08 -1.10 0.58 0.00 1.11 0.00 0.00 32.58 33.09 1bwm s HIS 29 CO 0.36 -0.40 1.40 -1.71 -0.85 0.00 0.00 174.74 173.55 1bwm n ASN 30 N 4.51 0.89 -3.91 1.40 2.85 -1.26 -4.79 115.26 114.95 1bwm n ASN 30 Ca -0.17 -1.76 -0.16 0.00 -0.11 0.00 0.00 54.58 52.38 1bwm n ASN 30 Cb 0.51 -0.08 -0.15 0.00 1.24 0.00 0.00 39.78 41.29 1bwm n ASN 30 CO 0.00 0.00 0.00 0.20 -2.11 0.00 0.00 177.26 175.35 1bwm s ASN 31 N -1.31 0.52 0.16 1.20 -0.87 -1.24 -4.43 114.94 108.97 1bwm s ASN 31 Ca 0.22 -0.07 0.10 0.00 -1.57 0.00 0.00 52.86 51.54 1bwm s ASN 31 Cb 0.11 -0.13 -0.04 0.00 -0.02 0.00 0.00 41.25 41.17 1bwm s ASN 31 CO 0.17 0.01 -0.23 -0.32 -2.57 0.00 0.00 177.10 174.16 1bwm s MET 32 N 0.22 1.38 0.15 -0.60 1.75 0.17 -2.88 119.30 119.51 1bwm s MET 32 Ca -0.02 -1.41 0.02 0.00 -1.25 0.00 0.00 55.69 53.03 1bwm s MET 32 Cb -0.05 -1.69 -0.04 0.00 2.84 0.00 0.00 34.83 35.89 1bwm s MET 32 CO -0.00 0.37 -0.01 0.71 -0.65 0.00 0.00 175.02 175.44 1bwm s TYR 33 N -1.53 1.13 -0.12 4.11 1.51 -0.66 -2.26 117.35 119.52 1bwm s TYR 33 Ca 0.16 -1.01 -0.05 0.00 -1.01 0.00 0.00 57.07 55.17 1bwm s TYR 33 Cb -0.08 -0.64 0.06 0.00 -0.11 0.00 0.00 41.96 41.19 1bwm s TYR 33 CO 0.07 -0.21 0.25 -0.46 -1.11 0.00 0.00 175.55 174.09 1bwm s TRP 34 N -3.67 -0.38 0.34 2.71 -0.00 -0.23 -1.61 118.94 116.10 1bwm s TRP 34 Ca 0.21 0.91 0.03 0.00 -0.00 0.00 0.00 56.10 57.26 1bwm s TRP 34 Cb 0.06 -0.06 -0.05 0.00 -0.00 0.00 0.00 33.47 33.42 1bwm s TRP 34 CO 0.02 -0.33 0.08 0.71 -0.00 0.00 0.00 176.95 177.43 1bwm s TYR 35 N 2.30 1.86 -0.06 5.86 2.02 -1.07 -2.75 117.35 125.51 1bwm s TYR 35 Ca 0.01 -1.07 0.00 0.00 -0.37 0.00 0.00 57.07 55.63 1bwm s TYR 35 Cb -0.12 -1.21 0.02 0.00 -0.40 0.00 0.00 41.96 40.26 1bwm s TYR 35 CO -0.08 -0.11 -0.04 -0.98 -1.57 0.00 0.00 175.55 172.77 1bwm s ARG 36 N -3.86 0.86 -0.22 -0.62 1.70 -0.68 -2.67 118.95 113.46 1bwm s ARG 36 Ca 0.33 -0.08 -0.29 0.00 -0.47 0.00 0.00 55.73 55.22 1bwm s ARG 36 Cb 0.07 -0.95 -0.04 0.00 -0.57 0.00 0.00 34.95 33.46 1bwm s ARG 36 CO 0.15 -0.14 1.92 -1.14 -1.08 0.00 0.00 175.30 175.01 1bwm s GLN 37 N 1.22 3.46 -0.23 3.89 2.00 0.11 -3.22 119.66 126.89 1bwm s GLN 37 Ca -0.06 1.83 -0.03 0.00 -2.00 0.00 0.00 55.36 55.09 1bwm s GLN 37 Cb -0.14 -4.22 0.10 0.00 0.80 0.00 0.00 33.01 29.56 1bwm s GLN 37 CO -0.02 -1.72 0.23 0.34 -0.50 0.00 0.00 175.29 173.62 1bwm s ASP 38 N 6.26 1.60 0.47 6.67 2.15 -0.95 -3.69 116.67 129.18 1bwm s ASP 38 Ca 0.86 -0.41 0.00 0.00 0.43 0.00 0.00 52.55 53.44 1bwm s ASP 38 Cb -0.29 0.35 0.00 0.00 -0.30 0.00 0.00 42.92 42.68 1bwm s ASP 38 CO 0.34 -0.35 0.00 0.35 -0.17 0.00 0.00 175.17 175.34 1bwm n THR 39 N 5.31 0.00 -1.76 1.71 -2.24 -1.26 -1.45 114.28 114.60 1bwm n THR 39 Ca -0.05 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.57 1bwm n THR 39 Cb 0.48 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.67 1bwm n THR 39 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bwm n GLY 40 N 0.00 0.86 0.00 3.38 0.00 -1.26 -3.75 105.19 104.43 1bwm n GLY 40 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1bwm n GLY 40 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1bwm n HIS 41 N -2.54 0.00 0.00 1.61 -0.00 -1.25 -5.01 115.22 108.03 1bwm n HIS 41 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.55 1bwm n HIS 41 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.54 1bwm n HIS 41 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1bwm n GLY 42 N 0.00 0.74 3.23 1.57 0.00 -0.53 0.13 105.19 110.33 1bwm n GLY 42 Ca 0.00 -0.74 -0.19 0.00 0.00 0.00 0.00 46.02 45.09 1bwm n GLY 42 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bwm s LEU 43 N 0.00 2.34 0.05 0.99 1.43 -1.26 -2.24 118.68 120.00 1bwm s LEU 43 Ca 0.00 -0.72 0.04 0.00 -1.03 0.00 0.00 54.13 52.42 1bwm s LEU 43 Cb 0.00 -0.61 -0.03 0.00 0.03 0.00 0.00 46.19 45.59 1bwm s LEU 43 CO 0.00 -0.08 -0.11 -0.60 0.23 0.00 0.00 176.35 175.79 1bwm s ARG 44 N -2.18 0.69 -0.03 1.70 3.52 -1.20 -4.61 118.95 116.84 1bwm s ARG 44 Ca 0.05 -0.84 -0.03 0.00 -0.13 0.00 0.00 55.73 54.78 1bwm s ARG 44 Cb -0.08 -0.59 -0.04 0.00 -1.56 0.00 0.00 34.95 32.68 1bwm s ARG 44 CO 0.03 0.13 0.13 -1.17 -0.81 0.00 0.00 175.30 173.61 1bwm s LEU 45 N -1.59 4.18 0.00 -0.88 2.96 -1.26 -1.68 118.68 120.41 1bwm s LEU 45 Ca -0.05 0.29 0.00 0.00 -0.22 0.00 0.00 54.13 54.15 1bwm s LEU 45 Cb -0.10 -2.38 0.00 0.00 0.50 0.00 0.00 46.19 44.21 1bwm s LEU 45 CO 0.01 0.29 0.00 2.30 -1.32 0.00 0.00 176.35 177.64 1bwm n ILE 46 N 1.23 0.00 -4.16 6.68 -0.00 -1.11 -2.82 119.36 119.17 1bwm n ILE 46 Ca -0.13 0.00 -0.17 0.00 -0.00 0.00 0.00 62.75 62.44 1bwm n ILE 46 Cb 0.53 -0.07 -0.12 0.00 -0.00 0.00 0.00 39.64 39.98 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 -1.09 1.10 -0.28 4.28 3.76 -1.24 0.13 115.29 121.95 1bwm s HIS 47 Ca 0.00 -0.46 -0.27 0.00 -0.15 0.00 0.00 55.06 54.18 1bwm s HIS 47 Cb 0.00 -0.63 0.17 0.00 1.11 0.00 0.00 32.58 33.24 1bwm s HIS 47 CO 0.00 0.03 1.31 1.52 -0.85 0.00 0.00 174.74 176.74 1bwm s TYR 48 N -1.26 -0.15 -0.04 1.40 1.13 -1.26 -1.06 117.35 116.12 1bwm s TYR 48 Ca -0.03 0.32 -0.29 0.00 -1.41 0.00 0.00 57.07 55.66 1bwm s TYR 48 Cb -0.10 0.47 0.10 0.00 -1.10 0.00 0.00 41.96 41.32 1bwm s TYR 48 CO 0.02 -0.10 0.82 0.45 -2.51 0.00 0.00 175.55 174.23 1bwm s SER 49 N -0.38 -0.48 0.00 -0.18 0.15 -0.96 -4.34 113.70 107.51 1bwm s SER 49 Ca 0.06 0.32 0.00 0.00 0.70 0.00 0.00 55.95 57.03 1bwm s SER 49 Cb -0.03 0.44 0.00 0.00 -1.71 0.00 0.00 66.02 64.71 1bwm s SER 49 CO -0.10 -0.59 0.05 0.00 1.20 0.00 0.00 173.24 173.79 1bwm n TYR 50 N 0.34 0.00 -3.17 3.44 0.18 -1.26 0.45 117.16 117.14 1bwm n TYR 50 Ca -0.13 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.65 1bwm n TYR 50 Cb 0.60 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.56 1bwm n TYR 50 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1bwm n GLY 51 N 0.64 6.33 3.68 -7.48 0.00 -1.26 -4.48 105.19 102.62 1bwm n GLY 51 Ca 0.00 -1.82 -0.36 0.00 0.00 0.00 0.00 46.02 43.84 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 3.63 0.00 4.61 0.00 -1.26 -4.38 121.76 122.36 1bwm s ALA 52 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.13 1bwm s ALA 52 Cb 0.00 -2.27 0.00 0.00 0.00 0.00 0.00 23.12 20.85 1bwm s ALA 52 CO 0.00 -0.09 0.00 0.41 0.00 0.00 0.00 175.76 176.08 1bwm n GLY 53 N 4.06 1.17 2.78 0.00 0.00 -1.23 -5.00 105.19 106.97 1bwm n GLY 53 Ca -0.15 -0.12 -0.16 0.00 0.00 0.00 0.00 46.02 45.59 1bwm n GLY 53 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bwm s SER 54 N -2.16 0.34 -0.04 1.61 0.01 -1.26 -5.07 113.70 107.13 1bwm s SER 54 Ca 0.00 0.11 -0.30 0.00 1.31 0.00 0.00 55.95 57.07 1bwm s SER 54 Cb 0.00 -0.02 0.11 0.00 0.21 0.00 0.00 66.02 66.32 1bwm s SER 54 CO 0.00 -0.17 1.32 0.28 0.41 0.00 0.00 173.24 175.08 1bwm s THR 55 N 1.44 0.00 -0.99 1.44 -1.32 -1.26 -4.56 115.64 110.39 1bwm s THR 55 Ca -0.05 -0.14 -0.12 0.00 -1.21 0.00 0.00 61.69 60.17 1bwm s THR 55 Cb -0.12 -2.51 -0.01 0.00 -1.51 0.00 0.00 72.50 68.34 1bwm s THR 55 CO -0.04 0.00 0.75 -0.62 -2.21 0.00 0.00 174.62 172.50 1bwm n GLU 56 N -0.72 -1.33 -1.83 7.08 1.02 -1.26 -4.91 120.64 118.69 1bwm n GLU 56 Ca -0.02 0.74 -0.03 0.00 -0.02 0.00 0.00 57.16 57.83 1bwm n GLU 56 Cb 0.61 -4.16 0.02 0.00 -0.02 0.00 0.00 31.44 27.89 1bwm n GLU 56 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1bwm n LYS 57 N -3.36 0.65 0.00 3.49 4.76 -1.18 -5.03 118.16 117.49 1bwm n LYS 57 Ca -0.12 -1.42 0.00 0.00 -2.87 0.00 0.00 58.31 53.91 1bwm n LYS 57 Cb 0.59 0.23 0.00 0.00 -1.84 0.00 0.00 35.03 34.01 1bwm n LYS 57 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1bwm n GLY 58 N -0.56 -1.80 0.51 0.72 0.00 0.35 -4.82 105.19 99.59 1bwm n GLY 58 Ca -0.17 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1bwm n GLY 58 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1bwm n ASP 59 N 0.00 1.54 -2.99 1.61 -0.08 -1.13 -4.87 116.55 110.63 1bwm n ASP 59 Ca 0.00 0.00 -0.20 0.00 -1.51 0.00 0.00 54.79 53.08 1bwm n ASP 59 Cb 0.00 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 43.44 1bwm n ASP 59 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 1bwm n ILE 60 N -2.37 1.06 -1.66 5.18 -6.64 -1.26 -5.08 119.36 108.59 1bwm n ILE 60 Ca 0.00 -4.65 -0.42 0.00 -1.77 0.00 0.00 62.75 55.91 1bwm n ILE 60 Cb 0.30 -0.50 -0.03 0.00 -1.44 0.00 0.00 39.64 37.97 1bwm n ILE 60 CO 0.00 0.00 0.00 -0.81 -1.77 0.00 0.00 176.55 173.97 1bwm n PRO 61 N 0.03 2.84 -3.58 6.28 -0.04 -1.26 -4.96 135.00 134.31 1bwm n PRO 61 Ca 0.25 1.04 -0.29 0.00 -0.04 0.00 0.00 63.50 64.46 1bwm n PRO 61 Cb 0.61 -2.99 -0.15 0.00 -0.04 0.00 0.00 33.50 30.94 1bwm n PRO 61 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1bwm s ASP 62 N 4.28 3.63 -0.11 3.54 1.01 -1.26 -4.88 116.67 122.88 1bwm s ASP 62 Ca 0.89 -1.42 -0.00 0.00 0.71 0.00 0.00 52.55 52.73 1bwm s ASP 62 Cb -0.45 -0.48 -0.00 0.00 1.01 0.00 0.00 42.92 43.00 1bwm s ASP 62 CO 0.42 -0.43 0.09 0.61 0.21 0.00 0.00 175.17 176.08 1bwm n GLY 63 N 5.10 0.53 3.24 0.21 0.00 -1.26 -4.96 105.19 108.04 1bwm n GLY 63 Ca -0.04 -0.32 -0.17 0.00 0.00 0.00 0.00 46.02 45.49 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 -3.04 1.38 -0.19 1.61 1.51 -1.26 -3.67 117.35 113.69 1bwm s TYR 65 Ca 0.02 -0.58 -0.04 0.00 -1.01 0.00 0.00 57.07 55.46 1bwm s TYR 65 Cb -0.00 -0.71 0.08 0.00 -0.11 0.00 0.00 41.96 41.22 1bwm s TYR 65 CO 0.07 0.14 0.19 0.21 -1.11 0.00 0.00 175.55 175.05 1bwm s LYS 66 N -2.81 0.15 0.27 -0.62 2.47 -0.37 -4.98 119.74 113.85 1bwm s LYS 66 Ca 0.10 0.15 0.03 0.00 -1.56 0.00 0.00 55.97 54.69 1bwm s LYS 66 Cb -0.04 -1.32 -0.06 0.00 -1.46 0.00 0.00 37.83 34.96 1bwm s LYS 66 CO 0.03 -0.64 0.03 0.00 0.16 0.00 0.00 175.35 174.93 1bwm s ALA 67 N 2.28 2.02 -0.10 3.13 0.00 -1.26 0.49 121.76 128.32 1bwm s ALA 67 Ca 0.06 -1.90 -0.15 0.00 0.00 0.00 0.00 51.96 49.96 1bwm s ALA 67 Cb -0.16 0.64 0.04 0.00 0.00 0.00 0.00 23.12 23.64 1bwm s ALA 67 CO -0.11 -0.30 0.39 -1.12 0.00 0.00 0.00 175.76 174.62 1bwm s SER 68 N -3.38 -0.36 -0.50 0.00 0.01 0.38 -4.90 113.70 104.96 1bwm s SER 68 Ca 0.33 0.55 0.06 0.00 1.31 0.00 0.00 55.95 58.20 1bwm s SER 68 Cb 0.07 0.62 0.21 0.00 0.21 0.00 0.00 66.02 67.13 1bwm s SER 68 CO 0.12 -0.28 0.49 -1.14 0.41 0.00 0.00 173.24 172.84 1bwm n ARG 69 N 2.17 1.02 -0.31 12.44 3.00 -1.26 -2.67 116.66 131.05 1bwm n ARG 69 Ca -0.17 -3.67 -0.02 0.00 -0.00 0.00 0.00 57.85 53.99 1bwm n ARG 69 Cb 0.57 -1.74 0.10 0.00 0.00 0.00 0.00 32.46 31.39 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 4.87 1.04 -5.25 -0.14 0.13 -1.99 -3.25 132.00 127.42 1bwm h PRO 70 Ca 0.18 -0.06 -0.38 0.00 -0.87 0.00 0.00 66.00 64.87 1bwm h PRO 70 Cb 0.83 -0.24 -0.18 0.00 0.13 0.00 0.00 31.00 31.55 1bwm h PRO 70 CO 0.54 0.69 -0.74 -1.54 -0.23 0.00 0.00 178.00 176.71 1bwm s SER 71 N -5.89 1.84 0.57 1.44 1.04 -1.26 -4.76 113.70 106.67 1bwm s SER 71 Ca -0.13 -0.84 0.38 0.00 0.48 0.00 0.00 55.95 55.84 1bwm s SER 71 Cb 0.17 -0.04 2.05 0.00 0.10 0.00 0.00 66.02 68.30 1bwm s SER 71 CO 0.79 -0.20 2.16 -0.61 0.98 0.00 0.00 173.24 176.36 1bwm h GLN 72 N 3.41 0.00 0.00 4.02 4.15 -1.84 -1.18 115.11 123.66 1bwm h GLN 72 Ca -0.39 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 58.99 1bwm h GLN 72 Cb 1.19 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.88 1bwm h GLN 72 CO 0.53 0.00 -1.85 0.39 -1.93 0.00 0.00 178.83 175.97 1bwm n GLU 73 N -2.83 0.65 -3.57 1.69 4.71 -1.26 -4.62 120.64 115.40 1bwm n GLU 73 Ca -0.03 -0.11 -0.37 0.00 -0.01 0.00 0.00 57.16 56.64 1bwm n GLU 73 Cb 0.07 -1.58 -0.06 0.00 -1.01 0.00 0.00 31.44 28.86 1bwm n GLU 73 CO 0.00 0.00 0.00 -0.80 0.09 0.00 0.00 177.13 176.42 1bwm s ASN 74 N -4.81 6.72 -0.28 1.62 -0.87 -0.45 0.82 114.94 117.69 1bwm s ASN 74 Ca -0.07 0.86 -0.01 0.00 -1.57 0.00 0.00 52.86 52.07 1bwm s ASN 74 Cb 0.12 -2.21 0.18 0.00 -0.02 0.00 0.00 41.25 39.32 1bwm s ASN 74 CO 0.88 0.31 0.54 0.12 -2.57 0.00 0.00 177.10 176.37 1bwm s PHE 75 N -1.14 -1.41 0.06 2.20 2.19 -0.62 -4.32 117.98 114.93 1bwm s PHE 75 Ca 0.24 1.39 0.04 0.00 0.33 0.00 0.00 56.93 58.93 1bwm s PHE 75 Cb -0.15 0.38 -0.03 0.00 -1.31 0.00 0.00 43.02 41.91 1bwm s PHE 75 CO 0.13 -0.86 -0.11 -1.12 1.83 0.00 0.00 175.22 175.09 1bwm s SER 76 N 2.77 1.27 0.13 6.13 0.01 -1.09 -0.38 113.70 122.54 1bwm s SER 76 Ca 0.18 -0.59 -0.25 0.00 1.31 0.00 0.00 55.95 56.59 1bwm s SER 76 Cb -0.15 -0.01 0.07 0.00 0.21 0.00 0.00 66.02 66.15 1bwm s SER 76 CO -0.21 -0.14 0.91 -1.48 0.41 0.00 0.00 173.24 172.73 1bwm s LEU 77 N -1.69 -0.24 0.00 2.44 0.05 -0.61 -0.47 118.68 118.15 1bwm s LEU 77 Ca -0.06 -0.32 -0.03 0.00 0.05 0.00 0.00 54.13 53.78 1bwm s LEU 77 Cb -0.10 2.20 0.01 0.00 -2.05 0.00 0.00 46.19 46.26 1bwm s LEU 77 CO 0.01 -0.89 0.30 2.30 -0.55 0.00 0.00 176.35 177.52 1bwm n ILE 78 N -0.42 0.00 -4.12 1.48 -0.00 0.18 -1.37 119.36 115.12 1bwm n ILE 78 Ca -0.07 -0.83 -0.12 0.00 -0.00 0.00 0.00 62.75 61.73 1bwm n ILE 78 Cb 0.61 0.56 -0.11 0.00 -0.00 0.00 0.00 39.64 40.71 1bwm n ILE 78 CO 0.00 0.00 0.00 -0.76 -0.00 0.00 0.00 176.55 175.79 1bwm s LEU 79 N 0.00 2.38 -0.27 7.28 1.02 -0.94 -1.23 118.68 126.93 1bwm s LEU 79 Ca 0.14 -0.78 0.21 0.00 0.02 0.00 0.00 54.13 53.71 1bwm s LEU 79 Cb -0.01 -0.12 0.50 0.00 0.02 0.00 0.00 46.19 46.58 1bwm s LEU 79 CO 0.10 -0.34 1.11 -1.84 0.02 0.00 0.00 176.35 175.40 1bwm n GLU 80 N 0.70 1.95 -2.72 1.70 0.00 -1.24 -2.68 120.64 118.36 1bwm n GLU 80 Ca -0.17 -3.59 -0.05 0.00 0.00 0.00 0.00 57.16 53.34 1bwm n GLU 80 Cb 0.58 -1.68 0.04 0.00 0.00 0.00 0.00 31.44 30.38 1bwm n GLU 80 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1bwm n LEU 81 N -0.59 -2.40 -4.55 -1.84 4.77 -1.26 -4.99 117.00 106.14 1bwm n LEU 81 Ca 0.12 -2.46 -0.34 0.00 -0.03 0.00 0.00 56.01 53.29 1bwm n LEU 81 Cb 0.82 0.70 -0.11 0.00 -2.33 0.00 0.00 43.42 42.50 1bwm n LEU 81 CO 0.12 1.75 -0.30 0.00 -1.33 0.00 0.00 177.39 177.63 1bwm s ALA 82 N 0.64 3.19 0.16 -1.18 0.00 -1.26 -4.96 121.76 118.34 1bwm s ALA 82 Ca 0.29 -0.82 0.06 0.00 0.00 0.00 0.00 51.96 51.49 1bwm s ALA 82 Cb 0.16 -1.76 -0.04 0.00 0.00 0.00 0.00 23.12 21.48 1bwm s ALA 82 CO -0.14 0.14 0.10 -0.08 0.00 0.00 0.00 175.76 175.77 1bwm s THR 83 N 0.47 4.27 -0.16 0.00 -1.32 -1.26 0.95 115.64 118.60 1bwm s THR 83 Ca -0.00 -1.16 -0.02 0.00 -1.21 0.00 0.00 61.69 59.30 1bwm s THR 83 Cb -0.13 -3.17 -0.05 0.00 -1.51 0.00 0.00 72.50 67.64 1bwm s THR 83 CO 0.02 -0.10 1.35 -2.65 -2.21 0.00 0.00 174.62 171.02 1bwm n PRO 84 N -0.25 0.65 0.00 7.08 -0.02 -1.26 -2.37 135.00 138.83 1bwm n PRO 84 Ca -0.09 -0.51 0.00 0.00 -2.02 0.00 0.00 63.50 60.89 1bwm n PRO 84 Cb 0.55 -1.85 0.00 0.00 -0.02 0.00 0.00 33.50 32.18 1bwm n PRO 84 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1bwm n SER 85 N 3.58 0.00 0.00 2.55 7.64 -1.26 -4.70 113.62 121.43 1bwm n SER 85 Ca 0.14 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.02 1bwm n SER 85 Cb 0.16 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.36 1bwm n SER 85 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1bwm n GLN 86 N 0.00 0.00 -0.63 1.43 -0.00 -1.00 -5.12 117.38 112.06 1bwm n GLN 86 Ca 0.00 -0.01 -0.26 0.00 -0.00 0.00 0.00 57.00 56.72 1bwm n GLN 86 Cb 0.00 -0.31 0.23 0.00 -0.00 0.00 0.00 30.24 30.16 1bwm n GLN 86 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 1bwm n THR 87 N 0.00 0.00 -3.15 -0.39 -1.04 -1.26 -4.95 114.28 103.49 1bwm n THR 87 Ca 0.00 -0.26 0.00 0.00 -2.04 0.00 0.00 64.05 61.75 1bwm n THR 87 Cb 0.26 -1.07 0.00 0.00 -1.82 0.00 0.00 70.33 67.70 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 -4.96 0.00 -4.49 8.00 7.64 -1.03 -4.99 113.62 113.78 1bwm n SER 88 Ca 0.13 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.64 1bwm n SER 88 Cb 0.52 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.60 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 -3.12 4.47 -0.32 0.44 1.01 -1.24 -2.21 120.40 119.43 1bwm s VAL 89 Ca 0.00 -0.12 -0.08 0.00 0.00 0.00 0.00 61.98 61.78 1bwm s VAL 89 Cb 0.00 -3.08 0.01 0.00 0.00 0.00 0.00 36.38 33.31 1bwm s VAL 89 CO 0.00 0.35 0.12 -0.31 0.00 0.00 0.00 175.10 175.26 1bwm s TYR 90 N 1.42 3.18 0.32 5.22 2.02 0.98 -0.71 117.35 129.78 1bwm s TYR 90 Ca 0.06 -0.93 0.04 0.00 -0.37 0.00 0.00 57.07 55.86 1bwm s TYR 90 Cb -0.15 -2.31 -0.04 0.00 -0.40 0.00 0.00 41.96 39.06 1bwm s TYR 90 CO 0.04 -0.58 0.17 -0.59 -1.57 0.00 0.00 175.55 173.02 1bwm s PHE 91 N 1.52 1.64 0.00 2.71 -0.12 -1.09 -1.94 117.98 120.70 1bwm s PHE 91 Ca 0.02 -1.39 0.00 0.00 -0.05 0.00 0.00 56.93 55.51 1bwm s PHE 91 Cb -0.18 -0.88 0.00 0.00 -0.63 0.00 0.00 43.02 41.34 1bwm s PHE 91 CO 0.04 -0.53 0.00 0.00 -0.05 0.00 0.00 175.22 174.68 1bwm s ALA 93 N -2.00 -1.86 -0.10 0.00 0.00 -0.63 -3.96 121.76 113.21 1bwm s ALA 93 Ca 0.00 1.07 -0.05 0.00 0.00 0.00 0.00 51.96 52.98 1bwm s ALA 93 Cb 0.00 0.35 0.05 0.00 0.00 0.00 0.00 23.12 23.51 1bwm s ALA 93 CO 0.00 -0.69 0.22 -1.12 0.00 0.00 0.00 175.76 174.18 1bwm s SER 94 N -2.46 -0.12 0.22 0.00 0.01 -1.26 -1.65 113.70 108.44 1bwm s SER 94 Ca 0.06 0.48 -0.16 0.00 1.31 0.00 0.00 55.95 57.64 1bwm s SER 94 Cb -0.01 0.39 0.02 0.00 0.21 0.00 0.00 66.02 66.63 1bwm s SER 94 CO -0.08 -0.17 0.52 -0.83 0.41 0.00 0.00 173.24 173.08 1bwm s GLY 95 N 1.42 0.12 0.00 3.44 0.00 -1.14 -2.60 107.32 108.57 1bwm s GLY 95 Ca -0.08 -0.46 0.00 0.00 0.00 0.00 0.00 44.72 44.18 1bwm s GLY 95 CO -0.08 -0.38 0.00 0.61 0.00 0.00 0.00 173.10 173.25 1bwm n GLY 96 N -0.36 -0.76 3.14 0.20 0.00 -1.26 -3.59 105.19 102.56 1bwm n GLY 96 Ca -0.07 -1.44 -0.17 0.00 0.00 0.00 0.00 46.02 44.34 1bwm n GLY 96 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1bwm s GLN 97 N 0.00 0.75 -0.02 1.61 -2.07 -1.26 -4.78 119.66 113.89 1bwm s GLN 97 Ca 0.00 -0.89 -0.01 0.00 -1.82 0.00 0.00 55.36 52.65 1bwm s GLN 97 Cb 0.00 -0.71 0.00 0.00 -1.09 0.00 0.00 33.01 31.22 1bwm s GLN 97 CO 0.00 0.15 0.02 0.41 -1.32 0.00 0.00 175.29 174.56 1bwm n GLY 98 N 1.38 -1.46 3.14 2.60 0.00 -1.26 -4.69 105.19 104.89 1bwm n GLY 98 Ca -0.21 -0.09 -0.18 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.31 -2.08 -4.10 1.61 1.74 -1.26 -5.02 116.66 107.24 1bwm n ARG 99 Ca 0.00 1.76 -0.14 0.00 -0.77 0.00 0.00 57.85 58.70 1bwm n ARG 99 Cb 0.02 -4.35 -0.13 0.00 -1.02 0.00 0.00 32.46 26.98 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 -2.32 0.49 0.17 7.54 0.00 -1.26 -5.06 121.76 121.32 1bwm s ALA 104 Ca 0.25 -0.52 -0.30 0.00 0.00 0.00 0.00 51.96 51.39 1bwm s ALA 104 Cb -0.05 -0.02 -0.07 0.00 0.00 0.00 0.00 23.12 22.98 1bwm s ALA 104 CO 0.81 0.03 1.13 -1.21 0.00 0.00 0.00 175.76 176.52 1bwm s GLU 105 N -0.92 4.55 -0.21 0.00 8.01 -1.26 -4.85 118.70 124.02 1bwm s GLU 105 Ca -0.05 1.76 -0.22 0.00 0.01 0.00 0.00 54.97 56.47 1bwm s GLU 105 Cb -0.06 -3.28 -0.02 0.00 -4.31 0.00 0.00 34.13 26.46 1bwm s GLU 105 CO 0.00 0.00 0.67 -1.14 0.01 0.00 0.00 175.26 174.81 1bwm s GLN 106 N -0.19 4.20 -1.26 1.61 0.74 -1.26 -4.56 119.66 118.94 1bwm s GLN 106 Ca 0.51 0.68 -0.10 0.00 0.05 0.00 0.00 55.36 56.51 1bwm s GLN 106 Cb -0.30 -3.59 0.18 0.00 1.10 0.00 0.00 33.01 30.39 1bwm s GLN 106 CO 0.35 -0.30 1.79 1.19 -0.55 0.00 0.00 175.29 177.76 1bwm n PHE 107 N 5.26 3.20 -1.62 1.67 3.01 -1.07 -4.64 117.46 123.26 1bwm n PHE 107 Ca 0.00 -2.86 -0.45 0.00 1.01 0.00 0.00 57.45 55.15 1bwm n PHE 107 Cb 0.49 -1.94 -0.04 0.00 -0.01 0.00 0.00 39.48 37.99 1bwm n PHE 107 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1bwm n PHE 108 N 3.94 2.15 -0.23 1.38 3.72 -1.26 -4.08 117.46 123.08 1bwm n PHE 108 Ca 0.38 -0.12 0.00 0.00 -0.05 0.00 0.00 57.45 57.67 1bwm n PHE 108 Cb 0.37 -2.71 0.00 0.00 -0.94 0.00 0.00 39.48 36.20 1bwm n PHE 108 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1bwm n GLY 109 N 5.22 -1.00 3.56 1.37 0.00 -1.25 -4.79 105.19 108.29 1bwm n GLY 109 Ca 0.27 -1.61 -0.29 0.00 0.00 0.00 0.00 46.02 44.38 1bwm n GLY 109 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1bwm s PRO 110 N -0.73 -0.21 0.05 1.61 0.01 -1.26 -4.87 135.00 129.60 1bwm s PRO 110 Ca 0.00 1.11 0.00 0.00 0.01 0.00 0.00 61.00 62.12 1bwm s PRO 110 Cb 0.00 -1.62 -0.03 0.00 0.01 0.00 0.00 34.50 32.86 1bwm s PRO 110 CO 0.00 -3.33 -0.05 0.20 0.01 0.00 0.00 177.00 173.84 1bwm s GLY 111 N -2.57 0.46 -0.20 0.52 0.00 -1.26 -4.39 107.32 99.88 1bwm s GLY 111 Ca 0.68 -0.96 -0.08 0.00 0.00 0.00 0.00 44.72 44.35 1bwm s GLY 111 CO 0.62 -1.05 0.09 -1.59 0.00 0.00 0.00 173.10 171.18 1bwm s THR 112 N -2.62 4.92 -0.30 0.90 2.01 -0.82 -4.55 115.64 115.18 1bwm s THR 112 Ca -0.02 0.02 -0.02 0.00 0.31 0.00 0.00 61.69 61.97 1bwm s THR 112 Cb -0.01 -3.25 0.05 0.00 0.01 0.00 0.00 72.50 69.30 1bwm s THR 112 CO -0.04 0.42 0.01 -0.13 -0.69 0.00 0.00 174.62 174.19 1bwm s ARG 113 N 0.65 2.45 0.05 4.92 0.52 -1.26 -0.01 118.95 126.28 1bwm s ARG 113 Ca 0.05 -1.25 0.05 0.00 -0.52 0.00 0.00 55.73 54.06 1bwm s ARG 113 Cb -0.13 -3.21 -0.03 0.00 0.52 0.00 0.00 34.95 32.10 1bwm s ARG 113 CO 0.01 -0.62 -0.15 -0.48 0.02 0.00 0.00 175.30 174.08 1bwm s LEU 114 N 1.27 2.21 -0.07 2.53 0.05 -0.94 -4.42 118.68 119.31 1bwm s LEU 114 Ca -0.05 -0.53 0.03 0.00 0.05 0.00 0.00 54.13 53.63 1bwm s LEU 114 Cb -0.20 -0.63 0.01 0.00 -2.05 0.00 0.00 46.19 43.31 1bwm s LEU 114 CO -0.01 0.01 -0.17 -0.89 -0.55 0.00 0.00 176.35 174.74 1bwm s THR 115 N -1.00 1.53 -0.47 5.48 2.01 -1.26 -2.47 115.64 119.46 1bwm s THR 115 Ca 0.01 -0.72 -0.18 0.00 0.31 0.00 0.00 61.69 61.11 1bwm s THR 115 Cb -0.09 -1.35 0.04 0.00 0.01 0.00 0.00 72.50 71.12 1bwm s THR 115 CO 0.02 0.44 0.54 -0.69 -0.69 0.00 0.00 174.62 174.24 1bwm s VAL 116 N 0.43 4.98 0.00 3.82 1.01 -1.25 -2.60 120.40 126.79 1bwm s VAL 116 Ca -0.14 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 61.39 1bwm s VAL 116 Cb -0.16 -4.18 0.00 0.00 0.00 0.00 0.00 36.38 32.04 1bwm s VAL 116 CO 0.05 -0.63 0.00 -0.11 0.00 0.00 0.00 175.10 174.42 1bwm n LEU 116 N 5.87 0.00 0.00 3.92 7.94 -0.98 -4.00 117.00 129.75 1bwm n LEU 116 Ca -0.07 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.83 1bwm n LEU 116 Cb 0.46 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.41 1bwm n LEU 116 CO 0.50 -0.11 0.00 0.61 -1.11 0.00 0.00 177.39 177.29 1bwm n GLY 201 N 0.00 0.26 2.37 -3.96 0.00 -1.26 -4.92 105.19 97.68 1bwm n GLY 201 Ca 0.00 -0.20 -0.25 0.00 0.00 0.00 0.00 46.02 45.57 1bwm n GLY 201 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1bwm n SER 202 N 0.00 2.29 0.00 1.61 7.64 -1.26 -4.92 113.62 118.98 1bwm n SER 202 Ca 0.00 -3.16 0.00 0.00 1.01 0.00 0.00 58.87 56.72 1bwm n SER 202 Cb 0.00 -0.64 0.00 0.00 -1.01 0.00 0.00 64.21 62.56 1bwm n SER 202 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1bwm n ASP 203 N 0.88 0.00 -2.96 6.43 2.03 -1.26 -5.11 116.55 116.56 1bwm n ASP 203 Ca 0.26 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.57 1bwm n ASP 203 Cb 0.47 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.87 1bwm n ASP 203 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1bwm n TYR 204 N -0.95 -2.11 -0.03 -0.67 4.19 -1.26 -4.98 117.16 111.35 1bwm n TYR 204 Ca 0.00 0.93 -0.05 0.00 3.31 0.00 0.00 57.90 62.10 1bwm n TYR 204 Cb 0.00 -2.58 -0.02 0.00 0.49 0.00 0.00 39.34 37.23 1bwm n TYR 204 CO 0.00 0.00 0.00 1.17 0.91 0.00 0.00 176.86 178.94 1bwm n LYS 205 N 0.95 0.12 -1.86 2.98 3.00 -1.26 -5.10 118.16 116.99 1bwm n LYS 205 Ca 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 58.31 58.35 1bwm n LYS 205 Cb 0.25 -0.84 0.00 0.00 0.00 0.00 0.00 35.03 34.44 1bwm n LYS 205 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1bwm n ASP 206 N -3.02 1.25 -3.28 3.14 5.68 -1.26 -5.17 116.55 113.90 1bwm n ASP 206 Ca -0.10 -0.93 -0.14 0.00 -0.50 0.00 0.00 54.79 53.13 1bwm n ASP 206 Cb 0.58 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.55 1bwm n ASP 206 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1bwm n ASP 207 N -1.62 2.25 -0.69 -1.12 9.92 -1.26 -5.05 116.55 118.97 1bwm n ASP 207 Ca 0.00 -1.96 0.03 0.00 -0.53 0.00 0.00 54.79 52.33 1bwm n ASP 207 Cb 0.00 0.08 -0.01 0.00 -0.64 0.00 0.00 41.12 40.55 1bwm n ASP 207 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1bwm n ASP 208 N -1.52 -4.10 -4.63 -2.24 -0.08 -1.26 -4.52 116.55 98.19 1bwm n ASP 208 Ca -0.06 0.25 -0.39 0.00 -1.51 0.00 0.00 54.79 53.09 1bwm n ASP 208 Cb 0.29 -0.77 -0.08 0.00 2.34 0.00 0.00 41.12 42.91 1bwm n ASP 208 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 1bwm s ASP 209 N -4.21 6.42 0.74 1.67 1.01 -1.26 -5.06 116.67 115.97 1bwm s ASP 209 Ca 0.00 0.49 -0.13 0.00 0.71 0.00 0.00 52.55 53.63 1bwm s ASP 209 Cb 0.00 -2.26 0.04 0.00 1.01 0.00 0.00 42.92 41.71 1bwm s ASP 209 CO 0.00 -0.20 1.12 -0.54 0.21 0.00 0.00 175.17 175.76 1bwm s LYS 210 N 1.95 2.32 -0.72 8.23 1.02 -1.26 -4.91 119.74 126.35 1bwm s LYS 210 Ca 0.20 1.38 -0.27 0.00 0.02 0.00 0.00 55.97 57.30 1bwm s LYS 210 Cb -0.15 -1.89 0.02 0.00 -0.52 0.00 0.00 37.83 35.29 1bwm s LYS 210 CO 0.09 -1.63 1.40 1.03 -0.92 0.00 0.00 175.35 175.32 1bwm s ARG 211 N -4.42 3.09 0.00 1.68 0.52 -1.26 -4.98 118.95 113.58 1bwm s ARG 211 Ca 0.66 -0.10 0.00 0.00 -0.52 0.00 0.00 55.73 55.77 1bwm s ARG 211 Cb -0.21 -4.24 0.00 0.00 0.52 0.00 0.00 34.95 31.02 1bwm s ARG 211 CO 0.49 -2.27 0.00 0.45 0.02 0.00 0.00 175.30 173.99 1bwm n SER 212 N 10.03 0.00 0.00 0.23 2.88 -1.26 -5.11 113.62 120.39 1bwm n SER 212 Ca 0.07 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.61 1bwm n SER 212 Cb 0.50 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 1bwm n SER 212 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1bwm n GLY 213 N 5.00 0.33 0.00 0.46 0.00 -1.26 -5.06 105.19 104.67 1bwm n GLY 213 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 4.20 2.18 0.00 -0.02 0.00 -1.26 -4.74 105.19 105.54 1bwm n GLY 214 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.29 1bwm n GLY 214 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bwm n GLY 215 N 0.00 2.23 2.44 -0.02 0.00 -1.26 -4.84 105.19 103.75 1bwm n GLY 215 Ca 0.00 -0.64 -0.22 0.00 0.00 0.00 0.00 46.02 45.16 1bwm n GLY 215 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bwm n GLY 216 N 0.00 4.25 2.60 -0.02 0.00 -1.26 -5.03 105.19 105.73 1bwm n GLY 216 Ca 0.00 -2.08 -0.26 0.00 0.00 0.00 0.00 46.02 43.68 1bwm n GLY 216 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1bwm s SER 217 N -2.68 2.59 0.00 1.61 0.15 -1.26 -4.94 113.70 109.17 1bwm s SER 217 Ca 0.43 -0.76 0.00 0.00 0.70 0.00 0.00 55.95 56.32 1bwm s SER 217 Cb 0.31 -0.25 0.00 0.00 -1.71 0.00 0.00 66.02 64.37 1bwm s SER 217 CO -0.10 -0.37 0.00 0.61 1.20 0.00 0.00 173.24 174.58 1bwm n GLY 218 N 5.27 0.00 0.00 9.45 0.00 -1.26 -4.93 105.19 113.73 1bwm n GLY 218 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 3.12 0.00 -0.02 0.00 -1.26 -5.15 105.19 101.88 1bwm n GLY 219 Ca 0.00 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.07 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 5.00 1.71 0.20 -0.02 0.00 -1.26 -4.81 105.19 106.01 1bwm n GLY 220 Ca 0.00 0.44 -0.07 0.00 0.00 0.00 0.00 46.02 46.38 1bwm n GLY 220 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bwm n GLY 221 N 0.00 -0.47 0.02 -0.02 0.00 -1.26 -4.85 105.19 98.62 1bwm n GLY 221 Ca 0.00 -0.26 -0.00 0.00 0.00 0.00 0.00 46.02 45.76 1bwm n GLY 221 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1bwm h SER 222 N -0.79 0.00 0.00 1.61 0.02 -2.02 -3.46 113.55 108.91 1bwm h SER 222 Ca 0.00 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.84 1bwm h SER 222 Cb 0.79 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 63.22 1bwm h SER 222 CO 0.00 0.24 -0.23 0.61 -1.14 0.00 0.00 176.83 176.31 1bwm n GLY 223 N 1.89 0.37 2.35 -3.77 0.00 -1.26 -5.05 105.19 99.72 1bwm n GLY 223 Ca -0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.07 -1.26 3.25 -0.02 0.00 -1.26 -4.98 105.19 100.84 1bwm n GLY 224 Ca -0.22 0.73 -0.40 0.00 0.00 0.00 0.00 46.02 46.13 1bwm n GLY 224 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bwm s SER 225 N -1.96 5.62 0.00 1.61 1.04 -1.26 -4.90 113.70 113.85 1bwm s SER 225 Ca 0.15 -1.63 0.00 0.00 0.48 0.00 0.00 55.95 54.95 1bwm s SER 225 Cb -0.04 -1.98 0.00 0.00 0.10 0.00 0.00 66.02 64.10 1bwm s SER 225 CO 0.49 -0.57 0.00 0.61 0.98 0.00 0.00 173.24 174.75 1bwm n GLY 226 N 4.89 -1.96 0.00 7.32 0.00 -1.26 -5.16 105.19 109.03 1bwm n GLY 226 Ca -0.09 0.92 0.00 0.00 0.00 0.00 0.00 46.02 46.85 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 -0.85 4.61 0.00 -1.26 -5.24 120.51 117.77 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 -0.10 -0.31 -0.03 0.00 7.27 -1.26 -5.21 117.38 117.73 1bwm n GLN 301 Ca 0.00 0.30 -0.04 0.00 0.07 0.00 0.00 57.00 57.32 1bwm n GLN 301 Cb 0.00 -0.22 -0.01 0.00 2.41 0.00 0.00 30.24 32.41 1bwm n GLN 301 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 1bwm n GLN 302 N 1.49 0.26 -1.68 3.69 6.02 -1.26 -4.88 117.38 121.02 1bwm n GLN 302 Ca 0.00 0.10 -0.47 0.00 -0.01 0.00 0.00 57.00 56.62 1bwm n GLN 302 Cb 0.00 -0.91 -0.04 0.00 1.02 0.00 0.00 30.24 30.31 1bwm n GLN 302 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1bwm n VAL 303 N -3.76 0.40 -3.90 5.09 0.31 -1.26 -3.59 118.33 111.63 1bwm n VAL 303 Ca -0.07 -0.07 -0.30 0.00 -0.01 0.00 0.00 64.34 63.89 1bwm n VAL 303 Cb 0.25 -1.78 -0.14 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 3.09 1.52 0.15 5.55 3.52 -1.09 -4.17 118.95 127.52 1bwm s ARG 304 Ca 0.88 -2.06 -0.19 0.00 -0.13 0.00 0.00 55.73 54.23 1bwm s ARG 304 Cb -0.68 -2.93 -0.07 0.00 -1.56 0.00 0.00 34.95 29.70 1bwm s ARG 304 CO 0.47 -1.05 0.64 -0.65 -0.81 0.00 0.00 175.30 173.91 1bwm s GLN 305 N 0.48 4.23 -0.85 5.12 -0.21 -1.26 -1.21 119.66 125.96 1bwm s GLN 305 Ca 0.14 0.79 -0.33 0.00 0.02 0.00 0.00 55.36 55.98 1bwm s GLN 305 Cb -0.22 -3.08 -0.20 0.00 1.00 0.00 0.00 33.01 30.51 1bwm s GLN 305 CO -0.06 0.53 2.56 0.45 -2.12 0.00 0.00 175.29 176.65 1bwm n SER 306 N 1.23 0.58 -3.74 5.90 2.88 -0.24 -4.71 113.62 115.52 1bwm n SER 306 Ca -0.06 0.23 0.00 0.00 -1.33 0.00 0.00 58.87 57.71 1bwm n SER 306 Cb 0.51 -0.97 0.00 0.00 -0.75 0.00 0.00 64.21 62.99 1bwm n SER 306 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1bwm n PRO 307 N 8.35 1.47 -1.71 -1.46 -0.05 -1.26 -4.24 135.00 136.09 1bwm n PRO 307 Ca 0.61 0.00 -0.15 0.00 -0.05 0.00 0.00 63.50 63.91 1bwm n PRO 307 Cb 0.06 0.00 -0.05 0.00 -0.05 0.00 0.00 33.50 33.46 1bwm n PRO 307 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 175.50 176.39 1bwm n GLN 308 N 0.00 -1.53 0.00 0.54 7.27 -1.26 -4.70 117.38 117.70 1bwm n GLN 308 Ca 0.00 0.87 0.00 0.00 0.07 0.00 0.00 57.00 57.94 1bwm n GLN 308 Cb 0.00 -5.24 0.00 0.00 2.41 0.00 0.00 30.24 27.41 1bwm n GLN 308 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 1bwm n SER 309 N -1.06 -1.16 -3.07 1.69 3.41 -1.26 -4.82 113.62 107.35 1bwm n SER 309 Ca -0.16 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.48 1bwm n SER 309 Cb 0.54 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.49 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 -0.86 0.18 1.04 2.96 -0.49 -4.75 118.68 116.77 1bwm s LEU 310 Ca 0.00 -0.12 0.02 0.00 -0.22 0.00 0.00 54.13 53.81 1bwm s LEU 310 Cb 0.00 1.35 -0.04 0.00 0.50 0.00 0.00 46.19 48.00 1bwm s LEU 310 CO 0.00 -0.13 0.34 -0.89 -1.32 0.00 0.00 176.35 174.35 1bwm s THR 311 N 2.49 5.27 -0.27 3.68 2.01 -1.26 -2.54 115.64 125.02 1bwm s THR 311 Ca 0.19 -0.60 -0.24 0.00 0.31 0.00 0.00 61.69 61.35 1bwm s THR 311 Cb -0.03 -3.76 0.07 0.00 0.01 0.00 0.00 72.50 68.80 1bwm s THR 311 CO -0.19 -0.16 0.71 0.54 -0.69 0.00 0.00 174.62 174.84 1bwm s VAL 312 N -1.83 -0.00 0.25 3.82 0.11 -1.06 -4.97 120.40 116.73 1bwm s VAL 312 Ca 0.36 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 59.11 1bwm s VAL 312 Cb -0.11 -1.00 -0.11 0.00 -1.53 0.00 0.00 36.38 33.64 1bwm s VAL 312 CO 0.29 0.00 1.57 0.26 -3.33 0.00 0.00 175.10 173.89 1bwm s TRP 313 N 0.51 2.88 0.11 1.54 0.51 -1.26 -3.09 118.94 120.13 1bwm s TRP 313 Ca -0.01 0.76 0.00 0.00 -2.12 0.00 0.00 56.10 54.73 1bwm s TRP 313 Cb -0.05 -4.00 0.00 0.00 -0.81 0.00 0.00 33.47 28.61 1bwm s TRP 313 CO -0.01 -3.45 0.00 -1.91 -0.51 0.00 0.00 176.95 171.07 1bwm n GLU 314 N 2.70 -0.96 -1.46 4.98 2.13 -1.26 -3.53 120.64 123.24 1bwm n GLU 314 Ca 0.10 0.63 -0.27 0.00 0.66 0.00 0.00 57.16 58.28 1bwm n GLU 314 Cb 0.38 -1.17 -0.04 0.00 0.27 0.00 0.00 31.44 30.88 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 -1.51 4.41 0.00 8.31 0.00 -1.25 -4.65 105.19 110.50 1bwm n GLY 315 Ca 0.00 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.16 1bwm n GLY 315 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1bwm n GLU 316 N 0.72 1.51 -1.86 1.61 2.13 -1.23 -1.38 120.64 122.15 1bwm n GLU 316 Ca 0.48 0.00 -0.32 0.00 0.66 0.00 0.00 57.16 57.98 1bwm n GLU 316 Cb 0.54 0.00 0.02 0.00 0.27 0.00 0.00 31.44 32.27 1bwm n GLU 316 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1bwm s THR 317 N 0.00 4.13 -0.06 6.31 2.01 -1.26 -4.27 115.64 122.50 1bwm s THR 317 Ca 0.00 0.82 -0.25 0.00 0.31 0.00 0.00 61.69 62.57 1bwm s THR 317 Cb 0.00 -3.50 0.05 0.00 0.01 0.00 0.00 72.50 69.06 1bwm s THR 317 CO 0.00 -0.78 0.56 -0.89 -0.69 0.00 0.00 174.62 172.82 1bwm s THR 318 N -2.84 0.02 -0.16 -0.82 2.01 -0.54 -4.99 115.64 108.32 1bwm s THR 318 Ca 0.59 -0.14 -0.02 0.00 0.31 0.00 0.00 61.69 62.43 1bwm s THR 318 Cb -0.14 -0.87 0.05 0.00 0.01 0.00 0.00 72.50 71.55 1bwm s THR 318 CO 0.47 -0.08 0.01 -0.63 -0.69 0.00 0.00 174.62 173.70 1bwm s ILE 319 N -1.07 0.58 0.47 1.82 1.01 -1.26 -1.66 121.20 121.10 1bwm s ILE 319 Ca -0.11 -0.39 -0.00 0.00 0.00 0.00 0.00 60.65 60.15 1bwm s ILE 319 Cb -0.02 -0.94 0.00 0.00 0.01 0.00 0.00 42.46 41.51 1bwm s ILE 319 CO 0.07 -0.03 0.70 -0.76 0.00 0.00 0.00 174.94 174.93 1bwm s LEU 320 N 1.85 3.57 -0.07 2.97 1.02 -0.78 -4.89 118.68 122.34 1bwm s LEU 320 Ca 0.01 0.29 -0.04 0.00 0.02 0.00 0.00 54.13 54.41 1bwm s LEU 320 Cb -0.15 -3.17 0.03 0.00 0.02 0.00 0.00 46.19 42.92 1bwm s LEU 320 CO -0.07 -0.78 0.17 0.20 0.02 0.00 0.00 176.35 175.89 1bwm s ASN 321 N -4.25 -0.17 0.16 2.29 -0.87 -1.26 -1.96 114.94 108.89 1bwm s ASN 321 Ca 0.50 0.36 0.08 0.00 -1.57 0.00 0.00 52.86 52.23 1bwm s ASN 321 Cb -0.10 0.29 -0.04 0.00 -0.02 0.00 0.00 41.25 41.38 1bwm s ASN 321 CO 0.39 -0.12 -0.17 0.00 -2.57 0.00 0.00 177.10 174.63 1bwm n SER 323 N 0.24 0.65 -3.76 0.00 2.88 -0.35 -1.87 113.62 111.42 1bwm n SER 323 Ca -0.13 -2.26 -0.05 0.00 -1.33 0.00 0.00 58.87 55.10 1bwm n SER 323 Cb 0.57 0.71 -0.02 0.00 -0.75 0.00 0.00 64.21 64.73 1bwm n SER 323 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 1bwm s TYR 324 N -2.54 -0.17 -0.07 0.66 -0.85 -1.24 -2.66 117.35 110.48 1bwm s TYR 324 Ca 0.15 -0.17 0.17 0.00 -0.52 0.00 0.00 57.07 56.71 1bwm s TYR 324 Cb 0.01 0.65 0.33 0.00 0.38 0.00 0.00 41.96 43.33 1bwm s TYR 324 CO 0.11 -0.94 1.15 -1.91 -1.52 0.00 0.00 175.55 172.44 1bwm n GLU 325 N -0.45 0.38 -4.17 -3.49 0.00 -1.25 -4.87 120.64 106.79 1bwm n GLU 325 Ca -0.06 -1.90 -0.10 0.00 0.00 0.00 0.00 57.16 55.10 1bwm n GLU 325 Cb 0.60 -0.08 -0.10 0.00 0.00 0.00 0.00 31.44 31.86 1bwm n GLU 325 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1bwm s ASP 326 N -1.94 0.44 -0.06 4.31 2.15 -1.26 -5.01 116.67 115.30 1bwm s ASP 326 Ca 0.22 -1.21 0.22 0.00 0.43 0.00 0.00 52.55 52.20 1bwm s ASP 326 Cb 0.28 0.27 0.43 0.00 -0.30 0.00 0.00 42.92 43.60 1bwm s ASP 326 CO -0.10 -0.71 1.18 -1.20 -0.17 0.00 0.00 175.17 174.17 1bwm n SER 327 N -0.13 1.21 -0.37 -0.34 7.64 -1.26 -4.79 113.62 115.59 1bwm n SER 327 Ca -0.05 -2.50 0.06 0.00 1.01 0.00 0.00 58.87 57.38 1bwm n SER 327 Cb 0.64 -0.36 0.09 0.00 -1.01 0.00 0.00 64.21 63.57 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 0.06 1.19 -4.00 0.44 5.66 -1.26 -5.06 114.28 111.31 1bwm n THR 328 Ca 0.10 -1.57 -0.25 0.00 -3.05 0.00 0.00 64.05 59.28 1bwm n THR 328 Cb 1.03 0.08 -0.04 0.00 -1.55 0.00 0.00 70.33 69.85 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 -1.80 3.35 -0.22 1.09 0.08 -1.26 -4.59 117.98 114.62 1bwm s PHE 329 Ca 0.23 0.04 -0.19 0.00 0.12 0.00 0.00 56.93 57.12 1bwm s PHE 329 Cb 0.21 -1.59 -0.18 0.00 -0.57 0.00 0.00 43.02 40.90 1bwm s PHE 329 CO -0.00 0.51 0.08 -0.25 -0.10 0.00 0.00 175.22 175.45 1bwm n ASP 330 N -0.67 1.89 -2.45 1.36 9.92 -1.21 -4.90 116.55 120.49 1bwm n ASP 330 Ca -0.08 0.39 -0.10 0.00 -0.53 0.00 0.00 54.79 54.48 1bwm n ASP 330 Cb 0.55 -0.93 -0.01 0.00 -0.64 0.00 0.00 41.12 40.09 1bwm n ASP 330 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1bwm n TYR 331 N -4.36 -1.36 -3.72 1.24 4.11 -1.26 -4.70 117.16 107.11 1bwm n TYR 331 Ca -0.38 -1.68 -0.30 0.00 -0.00 0.00 0.00 57.90 55.55 1bwm n TYR 331 Cb 0.74 0.47 -0.14 0.00 -0.00 0.00 0.00 39.34 40.41 1bwm n TYR 331 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.86 176.80 1bwm s PHE 332 N -3.56 1.93 -0.45 -3.48 0.08 -1.26 -2.07 117.98 109.17 1bwm s PHE 332 Ca 0.20 -2.22 -0.26 0.00 0.12 0.00 0.00 56.93 54.76 1bwm s PHE 332 Cb -0.01 -1.85 -0.07 0.00 -0.57 0.00 0.00 43.02 40.52 1bwm s PHE 332 CO 0.14 -0.82 2.37 -1.25 -0.10 0.00 0.00 175.22 175.56 1bwm s PRO 333 N 0.77 2.26 -1.00 0.24 0.04 -1.21 -3.51 135.00 132.59 1bwm s PRO 333 Ca 0.15 1.48 -0.26 0.00 0.04 0.00 0.00 61.00 62.42 1bwm s PRO 333 Cb -0.22 -4.55 -0.17 0.00 0.04 0.00 0.00 34.50 29.60 1bwm s PRO 333 CO -0.07 -3.10 2.16 -1.58 0.04 0.00 0.00 177.00 174.44 1bwm s TRP 334 N 11.59 1.35 1.14 0.56 0.52 -0.83 -3.83 118.94 129.44 1bwm s TRP 334 Ca 0.97 1.82 -0.19 0.00 0.02 0.00 0.00 56.10 58.72 1bwm s TRP 334 Cb -0.19 -3.51 0.27 0.00 -1.15 0.00 0.00 33.47 28.89 1bwm s TRP 334 CO 0.27 -1.08 1.23 0.71 0.02 0.00 0.00 176.95 178.10 1bwm s TYR 335 N 14.99 0.61 -0.19 -1.98 2.02 0.20 -2.67 117.35 130.34 1bwm s TYR 335 Ca 0.82 0.29 -0.16 0.00 -0.37 0.00 0.00 57.07 57.65 1bwm s TYR 335 Cb -0.07 -3.86 0.05 0.00 -0.40 0.00 0.00 41.96 37.68 1bwm s TYR 335 CO 0.13 -3.54 0.49 0.50 -1.57 0.00 0.00 175.55 171.56 1bwm s ARG 336 N -5.73 0.56 -0.05 -0.62 3.52 -0.83 0.68 118.95 116.47 1bwm s ARG 336 Ca 0.75 0.73 0.02 0.00 -0.13 0.00 0.00 55.73 57.10 1bwm s ARG 336 Cb -0.05 0.23 0.01 0.00 -1.56 0.00 0.00 34.95 33.58 1bwm s ARG 336 CO 0.55 -0.09 -0.11 -1.14 -0.81 0.00 0.00 175.30 173.70 1bwm s GLN 337 N 0.49 1.43 0.37 5.12 0.74 0.63 -0.53 119.66 127.90 1bwm s GLN 337 Ca -0.02 -0.38 0.01 0.00 0.05 0.00 0.00 55.36 55.02 1bwm s GLN 337 Cb -0.04 -1.23 -0.02 0.00 1.10 0.00 0.00 33.01 32.81 1bwm s GLN 337 CO -0.02 0.07 0.57 -0.06 -0.55 0.00 0.00 175.29 175.29 1bwm s PHE 338 N 0.49 3.40 0.50 1.67 0.40 -1.25 -0.07 117.98 123.12 1bwm s PHE 338 Ca -0.10 0.27 0.17 0.00 -0.60 0.00 0.00 56.93 56.67 1bwm s PHE 338 Cb -0.13 -2.00 1.24 0.00 0.51 0.00 0.00 43.02 42.64 1bwm s PHE 338 CO 0.02 -0.00 2.10 -1.35 0.70 0.00 0.00 175.22 176.69 1bwm h PRO 339 N 0.68 0.00 0.00 0.24 0.11 -1.88 -3.37 132.00 127.78 1bwm h PRO 339 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1bwm h PRO 339 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1bwm h PRO 339 CO 0.60 0.06 -0.36 0.41 -0.21 0.00 0.00 178.00 178.50 1bwm n GLY 340 N -1.31 0.00 3.60 -0.55 0.00 -1.26 -5.09 105.19 100.58 1bwm n GLY 340 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 1bwm n GLY 340 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1bwm s LYS 341 N -1.61 0.20 0.36 1.61 2.20 -1.26 -4.97 119.74 116.26 1bwm s LYS 341 Ca 0.00 1.19 -0.23 0.00 -0.36 0.00 0.00 55.97 56.57 1bwm s LYS 341 Cb 0.00 -1.66 -0.10 0.00 -1.51 0.00 0.00 37.83 34.56 1bwm s LYS 341 CO 0.00 -3.07 0.92 -1.12 -0.36 0.00 0.00 175.35 171.71 1bwm s SER 342 N -2.66 7.13 1.02 1.43 0.01 -1.26 -3.81 113.70 115.55 1bwm s SER 342 Ca 0.67 1.71 -0.12 0.00 1.31 0.00 0.00 55.95 59.53 1bwm s SER 342 Cb -0.23 -2.54 0.20 0.00 0.21 0.00 0.00 66.02 63.66 1bwm s SER 342 CO 0.61 -0.18 1.08 -2.16 0.41 0.00 0.00 173.24 173.00 1bwm s PRO 343 N -2.54 0.20 -0.15 12.44 0.05 -1.26 -4.55 135.00 139.19 1bwm s PRO 343 Ca 0.54 1.09 -0.20 0.00 0.05 0.00 0.00 61.00 62.48 1bwm s PRO 343 Cb -0.14 -1.67 0.05 0.00 0.05 0.00 0.00 34.50 32.79 1bwm s PRO 343 CO 0.19 -3.04 0.53 0.00 0.05 0.00 0.00 177.00 174.73 1bwm s ALA 344 N -2.62 -1.33 0.17 8.56 0.00 0.31 -4.41 121.76 122.43 1bwm s ALA 344 Ca 0.67 1.31 -0.30 0.00 0.00 0.00 0.00 51.96 53.63 1bwm s ALA 344 Cb -0.23 -0.58 -0.07 0.00 0.00 0.00 0.00 23.12 22.24 1bwm s ALA 344 CO 0.61 -0.28 1.12 -1.17 0.00 0.00 0.00 175.76 176.04 1bwm s LEU 345 N -0.23 4.47 -0.06 0.00 0.20 -1.26 -1.96 118.68 119.84 1bwm s LEU 345 Ca -0.04 2.10 -0.05 0.00 0.69 0.00 0.00 54.13 56.83 1bwm s LEU 345 Cb -0.03 -3.60 -0.02 0.00 -0.43 0.00 0.00 46.19 42.11 1bwm s LEU 345 CO 0.03 -0.27 -0.10 0.18 -0.29 0.00 0.00 176.35 175.90 1bwm n LEU 346 N 2.54 0.63 0.00 -0.68 4.77 -1.09 -4.89 117.00 118.28 1bwm n LEU 346 Ca 0.03 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 1bwm n LEU 346 Cb 0.46 -0.59 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 1bwm n LEU 346 CO 0.54 -0.44 0.00 2.30 -1.33 0.00 0.00 177.39 178.46 1bwm n ILE 347 N -3.12 0.00 -3.66 -0.08 -0.00 -1.25 -5.01 119.36 106.24 1bwm n ILE 347 Ca -0.04 0.00 -0.08 0.00 -0.00 0.00 0.00 62.75 62.63 1bwm n ILE 347 Cb 0.15 0.00 -0.09 0.00 -0.00 0.00 0.00 39.64 39.70 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 -1.41 -1.28 0.46 -1.28 0.00 -1.26 -1.96 121.76 115.03 1bwm s ALA 348 Ca 0.00 1.63 0.00 0.00 0.00 0.00 0.00 51.96 53.59 1bwm s ALA 348 Cb 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 23.12 21.75 1bwm s ALA 348 CO 0.00 -0.76 0.00 0.44 0.00 0.00 0.00 175.76 175.44 1bwm n ILE 349 N 5.35 0.00 -0.63 0.00 -5.35 -1.23 -4.89 119.36 112.61 1bwm n ILE 349 Ca -0.10 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.38 1bwm n ILE 349 Cb 0.50 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.40 1bwm n ILE 349 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 1bwm n SER 350 N 0.00 0.00 -3.70 7.28 2.88 -1.26 -4.13 113.62 114.69 1bwm n SER 350 Ca 0.00 -0.12 -0.22 0.00 -1.33 0.00 0.00 58.87 57.20 1bwm n SER 350 Cb 0.00 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.49 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 -3.11 -0.33 2.46 0.00 -1.26 -4.87 117.00 109.88 1bwm n LEU 351 Ca 0.00 -0.83 0.04 0.00 0.00 0.00 0.00 56.01 55.22 1bwm n LEU 351 Cb 0.03 -2.65 0.06 0.00 0.00 0.00 0.00 43.42 40.86 1bwm n LEU 351 CO 0.00 0.40 0.38 0.55 0.00 0.00 0.00 177.39 178.72 1bwm n VAL 352 N -4.25 0.75 -3.69 1.96 3.14 -1.26 -5.06 118.33 109.92 1bwm n VAL 352 Ca -0.29 -0.91 -0.14 0.00 -2.96 0.00 0.00 64.34 60.04 1bwm n VAL 352 Cb 0.68 0.21 -0.08 0.00 -1.06 0.00 0.00 33.84 33.58 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 -1.75 -0.41 0.64 6.55 0.01 -1.26 -5.02 113.70 112.46 1bwm s SER 353 Ca 0.13 0.54 0.39 0.00 1.31 0.00 0.00 55.95 58.32 1bwm s SER 353 Cb 0.11 0.60 2.19 0.00 0.21 0.00 0.00 66.02 69.13 1bwm s SER 353 CO 0.01 -0.39 2.32 0.78 0.41 0.00 0.00 173.24 176.38 1bwm h ASN 354 N 4.20 0.00 -4.52 2.44 -0.26 -1.95 -3.40 115.58 112.08 1bwm h ASN 354 Ca -0.28 0.00 -0.08 0.00 -0.56 0.00 0.00 56.30 55.38 1bwm h ASN 354 Cb 1.17 0.00 -0.21 0.00 -1.06 0.00 0.00 38.32 38.22 1bwm h ASN 354 CO 0.33 0.00 0.01 -1.59 -1.06 0.00 0.00 177.43 175.12 1bwm s LYS 355 N -4.30 0.82 0.19 0.81 -2.85 -1.26 -1.75 119.74 111.40 1bwm s LYS 355 Ca -0.05 0.43 -0.11 0.00 -1.00 0.00 0.00 55.97 55.24 1bwm s LYS 355 Cb 0.14 0.39 -0.00 0.00 -2.06 0.00 0.00 37.83 36.29 1bwm s LYS 355 CO 0.46 -0.19 0.36 0.15 0.10 0.00 0.00 175.35 176.23 1bwm s LYS 356 N -0.54 1.28 -0.10 1.78 -0.14 0.71 -4.98 119.74 117.76 1bwm s LYS 356 Ca -0.07 -1.16 -0.30 0.00 -1.36 0.00 0.00 55.97 53.08 1bwm s LYS 356 Cb -0.03 0.42 0.07 0.00 -1.68 0.00 0.00 37.83 36.61 1bwm s LYS 356 CO 0.05 -0.50 0.69 -1.83 -0.76 0.00 0.00 175.35 173.00 1bwm s GLU 357 N -3.97 1.01 -0.44 1.68 4.04 -1.26 0.12 118.70 119.87 1bwm s GLU 357 Ca 0.18 0.41 0.05 0.00 0.04 0.00 0.00 54.97 55.65 1bwm s GLU 357 Cb 0.02 0.48 0.17 0.00 0.02 0.00 0.00 34.13 34.82 1bwm s GLU 357 CO 0.02 -0.28 0.49 -0.51 -1.84 0.00 0.00 175.26 173.14 1bwm s ASP 358 N -0.87 0.27 0.00 0.83 1.01 -1.09 -4.99 116.67 111.83 1bwm s ASP 358 Ca -0.09 -2.27 0.00 0.00 0.71 0.00 0.00 52.55 50.91 1bwm s ASP 358 Cb -0.01 0.65 0.00 0.00 1.01 0.00 0.00 42.92 44.57 1bwm s ASP 358 CO 0.08 -0.14 0.00 0.61 0.21 0.00 0.00 175.17 175.93 1bwm n GLY 359 N 3.17 1.42 0.00 0.21 0.00 -1.26 -4.64 105.19 104.10 1bwm n GLY 359 Ca 0.22 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.02 -4.40 1.61 0.63 -1.26 -5.06 116.66 108.16 1bwm n ARG 361 Ca 0.00 -0.58 -0.21 0.00 -0.92 0.00 0.00 57.85 56.13 1bwm n ARG 361 Cb 0.00 -0.87 -0.10 0.00 0.45 0.00 0.00 32.46 31.94 1bwm n ARG 361 CO 0.00 0.00 0.00 -0.59 -2.51 0.00 0.00 177.63 174.53 1bwm s PHE 362 N -0.18 1.98 -0.12 -0.14 -0.12 -1.26 -4.65 117.98 113.48 1bwm s PHE 362 Ca 0.00 -0.46 -0.01 0.00 -0.05 0.00 0.00 56.93 56.41 1bwm s PHE 362 Cb 0.00 -0.89 0.03 0.00 -0.63 0.00 0.00 43.02 41.54 1bwm s PHE 362 CO 0.00 0.52 -0.04 -0.08 -0.05 0.00 0.00 175.22 175.57 1bwm s THR 363 N -2.75 0.86 0.12 -4.49 -1.32 -1.25 -2.66 115.64 104.15 1bwm s THR 363 Ca 0.26 -0.30 -0.29 0.00 -1.21 0.00 0.00 61.69 60.14 1bwm s THR 363 Cb -0.03 -0.99 -0.06 0.00 -1.51 0.00 0.00 72.50 69.91 1bwm s THR 363 CO 0.11 0.24 0.94 -0.63 -2.21 0.00 0.00 174.62 173.06 1bwm s ILE 364 N 1.76 4.47 0.38 5.08 1.09 0.33 -2.66 121.20 131.65 1bwm s ILE 364 Ca 0.03 2.02 0.07 0.00 -1.10 0.00 0.00 60.65 61.68 1bwm s ILE 364 Cb -0.13 -4.30 -0.02 0.00 -1.06 0.00 0.00 42.46 36.95 1bwm s ILE 364 CO -0.07 0.35 0.39 -0.36 -0.10 0.00 0.00 174.94 175.14 1bwm s PHE 365 N -0.16 2.85 -0.22 3.97 0.40 0.96 -0.21 117.98 125.57 1bwm s PHE 365 Ca 0.45 -0.38 0.02 0.00 -0.60 0.00 0.00 56.93 56.42 1bwm s PHE 365 Cb -0.23 -2.05 0.05 0.00 0.51 0.00 0.00 43.02 41.29 1bwm s PHE 365 CO 0.29 -0.05 -0.12 0.12 0.70 0.00 0.00 175.22 176.17 1bwm s PHE 366 N -2.36 2.78 -0.38 0.36 5.36 -0.71 -2.61 117.98 120.43 1bwm s PHE 366 Ca 0.46 -1.89 -0.06 0.00 -0.96 0.00 0.00 56.93 54.49 1bwm s PHE 366 Cb -0.06 -1.78 0.07 0.00 -0.34 0.00 0.00 43.02 40.91 1bwm s PHE 366 CO 0.29 -0.81 0.16 -0.80 -1.46 0.00 0.00 175.22 172.60 1bwm s ASN 367 N 1.27 5.35 -0.01 6.13 0.01 -1.08 -4.92 114.94 121.69 1bwm s ASN 367 Ca -0.04 -1.48 -0.25 0.00 -0.71 0.00 0.00 52.86 50.38 1bwm s ASN 367 Cb -0.17 -1.88 -0.19 0.00 0.41 0.00 0.00 41.25 39.42 1bwm s ASN 367 CO -0.08 -0.44 1.29 0.11 -1.51 0.00 0.00 177.10 176.48 1bwm h LYS 368 N 8.21 -0.05 -0.25 -0.60 1.57 -1.97 -0.58 116.57 122.90 1bwm h LYS 368 Ca -0.21 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.65 1bwm h LYS 368 Cb 1.07 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.38 1bwm h LYS 368 CO 0.67 0.37 0.22 0.00 -0.57 0.00 0.00 179.45 180.14 1bwm h ARG 369 N -0.48 0.00 0.00 3.15 2.47 -1.96 0.15 114.38 117.70 1bwm h ARG 369 Ca -0.01 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.71 1bwm h ARG 369 Cb 0.44 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.76 1bwm h ARG 369 CO 0.01 0.00 -0.75 0.39 0.56 0.00 0.00 179.97 180.18 1bwm n GLU 370 N -4.07 0.13 -3.38 0.04 1.02 -1.10 -4.95 120.64 108.32 1bwm n GLU 370 Ca 0.03 0.01 -0.24 0.00 -0.02 0.00 0.00 57.16 56.94 1bwm n GLU 370 Cb 0.37 -1.55 0.03 0.00 -0.02 0.00 0.00 31.44 30.26 1bwm n GLU 370 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1bwm n LYS 371 N -1.73 -5.03 -3.64 3.49 4.81 0.51 -4.94 118.16 111.62 1bwm n LYS 371 Ca 0.04 0.72 -0.08 0.00 -0.87 0.00 0.00 58.31 58.11 1bwm n LYS 371 Cb 0.38 -5.57 -0.02 0.00 0.02 0.00 0.00 35.03 29.84 1bwm n LYS 371 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 1bwm s LYS 372 N -6.06 1.38 0.08 1.64 -2.85 -1.12 -4.58 119.74 108.23 1bwm s LYS 372 Ca 0.44 -0.66 0.03 0.00 -1.00 0.00 0.00 55.97 54.78 1bwm s LYS 372 Cb -0.21 0.54 -0.04 0.00 -2.06 0.00 0.00 37.83 36.05 1bwm s LYS 372 CO 0.55 -0.62 0.11 -0.51 0.10 0.00 0.00 175.35 174.97 1bwm s LEU 373 N -2.80 3.90 -0.12 2.77 1.02 -0.78 -2.63 118.68 120.04 1bwm s LEU 373 Ca 0.07 0.03 -0.01 0.00 0.02 0.00 0.00 54.13 54.24 1bwm s LEU 373 Cb -0.03 -2.56 0.03 0.00 0.02 0.00 0.00 46.19 43.65 1bwm s LEU 373 CO -0.03 0.16 -0.05 -0.94 0.02 0.00 0.00 176.35 175.51 1bwm s SER 374 N -2.48 2.23 0.03 2.29 1.04 -1.07 -1.89 113.70 113.85 1bwm s SER 374 Ca 0.30 -0.35 -0.04 0.00 0.48 0.00 0.00 55.95 56.34 1bwm s SER 374 Cb -0.12 -0.77 -0.05 0.00 0.10 0.00 0.00 66.02 65.18 1bwm s SER 374 CO 0.23 -0.15 0.26 -0.22 0.98 0.00 0.00 173.24 174.33 1bwm s LEU 375 N 1.75 4.35 0.29 2.42 0.20 -0.83 -0.03 118.68 126.83 1bwm s LEU 375 Ca 0.04 0.47 0.08 0.00 0.69 0.00 0.00 54.13 55.41 1bwm s LEU 375 Cb -0.13 -2.81 -0.04 0.00 -0.43 0.00 0.00 46.19 42.78 1bwm s LEU 375 CO -0.08 0.21 0.15 -1.00 -0.29 0.00 0.00 176.35 175.34 1bwm s HIS 376 N -1.40 2.88 -0.26 5.38 3.76 -1.09 -1.87 115.29 122.69 1bwm s HIS 376 Ca 0.31 -0.23 -0.08 0.00 -0.15 0.00 0.00 55.06 54.91 1bwm s HIS 376 Cb -0.13 -1.46 0.12 0.00 1.11 0.00 0.00 32.58 32.22 1bwm s HIS 376 CO 0.20 0.46 0.56 0.42 -0.85 0.00 0.00 174.74 175.53 1bwm s ILE 377 N -2.27 -0.87 0.31 0.60 -1.09 -0.66 -3.75 121.20 113.46 1bwm s ILE 377 Ca 0.35 0.05 0.06 0.00 -2.23 0.00 0.00 60.65 58.89 1bwm s ILE 377 Cb -0.06 -0.88 -0.06 0.00 -1.58 0.00 0.00 42.46 39.87 1bwm s ILE 377 CO 0.23 0.02 -0.03 0.28 -1.23 0.00 0.00 174.94 174.21 1bwm s THR 378 N 2.79 1.64 -1.42 2.92 -1.32 -1.26 -1.46 115.64 117.54 1bwm s THR 378 Ca -0.03 -2.09 -0.07 0.00 -1.21 0.00 0.00 61.69 58.29 1bwm s THR 378 Cb -0.12 -2.59 0.04 0.00 -1.51 0.00 0.00 72.50 68.32 1bwm s THR 378 CO -0.17 -0.20 0.88 -0.67 -2.21 0.00 0.00 174.62 172.25 1bwm n ASP 379 N -0.66 -3.29 -5.03 8.08 -0.08 -1.26 -4.98 116.55 109.33 1bwm n ASP 379 Ca -0.05 -0.78 -0.19 0.00 -1.51 0.00 0.00 54.79 52.26 1bwm n ASP 379 Cb 0.64 -4.07 0.05 0.00 2.34 0.00 0.00 41.12 40.09 1bwm n ASP 379 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 1bwm s SER 380 N -3.79 5.18 0.18 1.67 0.01 -0.48 -5.02 113.70 111.45 1bwm s SER 380 Ca 0.36 -0.79 0.00 0.00 1.31 0.00 0.00 55.95 56.83 1bwm s SER 380 Cb -0.18 0.17 0.00 0.00 0.21 0.00 0.00 66.02 66.22 1bwm s SER 380 CO 0.81 -1.26 0.00 0.00 0.41 0.00 0.00 173.24 173.20 1bwm n GLN 381 N -2.19 0.00 -1.55 12.44 1.13 -1.26 -3.88 117.38 122.07 1bwm n GLN 381 Ca 0.15 0.00 -0.36 0.00 -1.94 0.00 0.00 57.00 54.85 1bwm n GLN 381 Cb 0.61 0.00 0.09 0.00 0.11 0.00 0.00 30.24 31.05 1bwm n GLN 381 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 1bwm s PRO 382 N -2.00 2.27 0.00 -1.09 0.04 -1.26 -4.45 135.00 128.51 1bwm s PRO 382 Ca 0.00 1.93 0.00 0.00 0.04 0.00 0.00 61.00 62.97 1bwm s PRO 382 Cb 0.00 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.71 1bwm s PRO 382 CO 0.00 -1.78 0.00 0.41 0.04 0.00 0.00 177.00 175.67 1bwm n GLY 383 N 0.70 -1.66 3.87 0.56 0.00 -1.26 -5.01 105.19 102.39 1bwm n GLY 383 Ca 0.15 0.58 -0.26 0.00 0.00 0.00 0.00 46.02 46.49 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 0.00 -2.00 -1.99 1.61 8.00 -1.26 -4.26 116.55 116.65 1bwm n ASP 384 Ca 0.00 -0.88 0.00 0.00 0.71 0.00 0.00 54.79 54.62 1bwm n ASP 384 Cb 0.00 -3.61 0.00 0.00 -0.02 0.00 0.00 41.12 37.49 1bwm n ASP 384 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1bwm n SER 385 N -2.95 -8.37 -3.58 -2.24 2.88 -1.26 -4.83 113.62 93.28 1bwm n SER 385 Ca -0.19 1.35 -0.16 0.00 -1.33 0.00 0.00 58.87 58.54 1bwm n SER 385 Cb 0.63 -4.67 -0.07 0.00 -0.75 0.00 0.00 64.21 59.35 1bwm n SER 385 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1bwm s ALA 386 N -0.48 -1.61 -0.26 -1.46 0.00 -0.64 -4.12 121.76 113.19 1bwm s ALA 386 Ca 0.00 1.30 -0.05 0.00 0.00 0.00 0.00 51.96 53.22 1bwm s ALA 386 Cb 0.00 -0.22 0.01 0.00 0.00 0.00 0.00 23.12 22.91 1bwm s ALA 386 CO 0.00 -0.34 0.01 0.95 0.00 0.00 0.00 175.76 176.38 1bwm s THR 387 N -0.88 3.55 -0.12 0.00 -4.23 0.90 0.66 115.64 115.52 1bwm s THR 387 Ca -0.09 -0.68 -0.30 0.00 -1.18 0.00 0.00 61.69 59.44 1bwm s THR 387 Cb -0.02 -2.75 -0.02 0.00 1.34 0.00 0.00 72.50 71.05 1bwm s THR 387 CO 0.07 0.22 1.13 -0.31 -0.54 0.00 0.00 174.62 175.19 1bwm s TYR 388 N 1.46 3.25 0.10 3.99 1.51 -0.64 -0.27 117.35 126.74 1bwm s TYR 388 Ca 0.03 1.33 -0.03 0.00 -1.01 0.00 0.00 57.07 57.39 1bwm s TYR 388 Cb -0.16 -3.34 -0.05 0.00 -0.11 0.00 0.00 41.96 38.30 1bwm s TYR 388 CO -0.01 -0.92 0.31 -0.06 -1.11 0.00 0.00 175.55 173.76 1bwm s PHE 389 N 2.56 3.50 -0.44 2.71 0.40 0.21 -2.08 117.98 124.84 1bwm s PHE 389 Ca 0.51 0.45 0.05 0.00 -0.60 0.00 0.00 56.93 57.34 1bwm s PHE 389 Cb -0.21 -1.92 0.19 0.00 0.51 0.00 0.00 43.02 41.60 1bwm s PHE 389 CO 0.17 0.50 0.41 0.00 0.70 0.00 0.00 175.22 177.00 1bwm n ALA 391 N 2.39 0.10 -2.20 0.00 0.00 -1.25 -4.50 120.51 115.04 1bwm n ALA 391 Ca 0.27 -0.95 -0.12 0.00 0.00 0.00 0.00 53.44 52.64 1bwm n ALA 391 Cb 0.48 0.16 -0.10 0.00 0.00 0.00 0.00 19.45 19.98 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 -2.95 1.14 0.00 0.00 0.00 -0.85 -3.30 121.76 115.80 1bwm s ALA 392 Ca 0.32 -1.55 0.00 0.00 0.00 0.00 0.00 51.96 50.73 1bwm s ALA 392 Cb -0.02 0.74 0.00 0.00 0.00 0.00 0.00 23.12 23.84 1bwm s ALA 392 CO 0.21 -0.41 0.00 0.25 0.00 0.00 0.00 175.76 175.81 1bwm n THR 393 N -0.19 0.00 0.00 0.00 -2.24 -0.88 -2.27 114.28 108.71 1bwm n THR 393 Ca -0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1bwm n THR 393 Cb 0.64 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.87 1bwm n THR 393 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bwm n GLY 399 N 4.71 0.92 0.00 3.38 0.00 -1.26 -3.34 105.19 109.60 1bwm n GLY 399 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -4.78 1.61 7.64 -1.26 -4.83 113.62 111.99 1bwm n SER 400 Ca 0.00 -0.58 -0.36 0.00 1.01 0.00 0.00 58.87 58.94 1bwm n SER 400 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 1bwm n SER 400 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1bwm s PHE 401 N -3.95 3.41 -1.53 1.43 0.08 -1.26 -3.64 117.98 112.52 1bwm s PHE 401 Ca 0.00 1.68 -0.09 0.00 0.12 0.00 0.00 56.93 58.65 1bwm s PHE 401 Cb 0.00 -3.05 0.07 0.00 -0.57 0.00 0.00 43.02 39.47 1bwm s PHE 401 CO 0.00 -0.33 0.63 0.09 -0.10 0.00 0.00 175.22 175.52 1bwm n ASN 402 N 0.11 -2.00 -3.89 1.36 5.03 -1.26 -4.94 115.26 109.68 1bwm n ASN 402 Ca 0.04 -0.97 -0.30 0.00 0.87 0.00 0.00 54.58 54.22 1bwm n ASN 402 Cb 0.50 -3.08 -0.15 0.00 -1.02 0.00 0.00 39.78 36.02 1bwm n ASN 402 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 1bwm s LYS 403 N -6.68 1.29 -0.26 3.52 2.36 -1.24 -5.07 119.74 113.65 1bwm s LYS 403 Ca 0.36 -1.15 -0.02 0.00 -2.55 0.00 0.00 55.97 52.60 1bwm s LYS 403 Cb -0.19 -2.52 0.08 0.00 -1.05 0.00 0.00 37.83 34.15 1bwm s LYS 403 CO 0.89 -0.77 0.08 -0.51 1.55 0.00 0.00 175.35 176.60 1bwm s LEU 404 N 1.39 1.39 -0.28 5.43 1.02 -1.26 -4.23 118.68 122.13 1bwm s LEU 404 Ca 0.02 -1.23 -0.16 0.00 0.02 0.00 0.00 54.13 52.78 1bwm s LEU 404 Cb -0.18 -0.62 -0.03 0.00 0.02 0.00 0.00 46.19 45.37 1bwm s LEU 404 CO -0.12 -0.38 0.41 -0.89 0.02 0.00 0.00 176.35 175.40 1bwm s THR 405 N 1.84 5.14 0.19 5.49 2.01 -0.96 -4.87 115.64 124.48 1bwm s THR 405 Ca 0.05 0.58 0.04 0.00 0.31 0.00 0.00 61.69 62.68 1bwm s THR 405 Cb -0.17 -3.76 -0.03 0.00 0.01 0.00 0.00 72.50 68.55 1bwm s THR 405 CO -0.21 0.09 0.27 -0.36 -0.69 0.00 0.00 174.62 173.72 1bwm s PHE 406 N 2.15 3.36 -0.32 4.92 0.08 -1.26 -2.00 117.98 124.91 1bwm s PHE 406 Ca 0.16 0.02 0.18 0.00 0.12 0.00 0.00 56.93 57.41 1bwm s PHE 406 Cb -0.16 -1.57 0.47 0.00 -0.57 0.00 0.00 43.02 41.19 1bwm s PHE 406 CO 0.10 0.50 1.00 0.41 -0.10 0.00 0.00 175.22 177.13 1bwm n GLY 407 N -0.84 2.03 2.89 4.36 0.00 -1.25 -4.67 105.19 107.71 1bwm n GLY 407 Ca -0.08 -1.39 -0.00 0.00 0.00 0.00 0.00 46.02 44.55 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 -0.21 -2.93 -1.00 4.61 0.00 0.36 -4.07 120.51 117.27 1bwm n ALA 408 Ca 0.12 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.93 1bwm n ALA 408 Cb 0.81 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 19.34 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 0.98 -3.14 3.82 0.00 0.00 -1.26 -3.98 105.19 101.61 1bwm n GLY 409 Ca -0.01 -1.27 -0.30 0.00 0.00 0.00 0.00 46.02 44.45 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 -0.32 4.76 -0.65 2.61 2.01 -0.89 -4.79 115.64 118.38 1bwm s THR 410 Ca 0.00 -0.73 -0.19 0.00 0.31 0.00 0.00 61.69 61.08 1bwm s THR 410 Cb 0.00 -3.34 0.11 0.00 0.01 0.00 0.00 72.50 69.29 1bwm s THR 410 CO 0.00 0.08 0.77 -0.60 -0.69 0.00 0.00 174.62 174.18 1bwm s ARG 411 N -2.58 3.15 0.53 4.92 6.06 -1.26 -1.62 118.95 128.14 1bwm s ARG 411 Ca 0.31 -1.41 -0.15 0.00 -2.50 0.00 0.00 55.73 51.98 1bwm s ARG 411 Cb -0.12 -4.34 -0.07 0.00 0.06 0.00 0.00 34.95 30.48 1bwm s ARG 411 CO 0.24 -1.57 0.98 -0.51 -2.50 0.00 0.00 175.30 171.94 1bwm s LEU 412 N 2.61 3.55 -0.24 -0.88 2.01 0.21 -1.39 118.68 124.54 1bwm s LEU 412 Ca 0.15 1.51 -0.15 0.00 0.01 0.00 0.00 54.13 55.65 1bwm s LEU 412 Cb -0.21 -4.47 0.07 0.00 0.01 0.00 0.00 46.19 41.59 1bwm s LEU 412 CO 0.04 -0.64 0.60 0.00 1.01 0.00 0.00 176.35 177.36 1bwm s ALA 413 N -2.74 -1.58 -0.14 4.21 0.00 -1.05 -1.62 121.76 118.84 1bwm s ALA 413 Ca 0.58 2.06 -0.01 0.00 0.00 0.00 0.00 51.96 54.59 1bwm s ALA 413 Cb -0.10 -1.22 -0.02 0.00 0.00 0.00 0.00 23.12 21.78 1bwm s ALA 413 CO 0.36 -0.33 -0.10 0.08 0.00 0.00 0.00 175.76 175.77 1bwm s VAL 414 N 1.36 3.36 0.74 0.00 1.01 -1.26 -2.56 120.40 123.04 1bwm s VAL 414 Ca -0.08 -0.55 -0.11 0.00 0.00 0.00 0.00 61.98 61.24 1bwm s VAL 414 Cb -0.06 -2.43 0.04 0.00 0.00 0.00 0.00 36.38 33.92 1bwm s VAL 414 CO -0.15 0.52 1.08 -0.44 0.00 0.00 0.00 175.10 176.11 1bwm s SER 415 N 0.30 4.90 0.52 3.32 0.01 -1.18 -4.70 113.70 116.87 1bwm s SER 415 Ca -0.08 1.70 0.00 0.00 1.31 0.00 0.00 55.95 58.88 1bwm s SER 415 Cb -0.15 -2.49 0.00 0.00 0.21 0.00 0.00 66.02 63.59 1bwm s SER 415 CO 0.05 -1.76 0.00 -2.65 0.41 0.00 0.00 173.24 169.28 1bwm n PRO 416 N -3.34 -0.46 0.00 12.44 -0.02 -1.26 -4.06 135.00 138.30 1bwm n PRO 416 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 1bwm n PRO 416 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.01 1bwm n PRO 416 CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46