#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 0.23 -4.38 0.00 3.14 -1.14 -3.99 118.33 112.19 1bwm n VAL 4 Ca 0.00 -0.35 -0.19 0.00 -2.96 0.00 0.00 64.34 60.85 1bwm n VAL 4 Cb 0.00 -2.00 -0.05 0.00 -1.06 0.00 0.00 33.84 30.73 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 7.43 0.00 -3.47 1.55 -2.24 0.22 -4.38 114.28 113.39 1bwm n THR 5 Ca 0.37 -1.74 -0.12 0.00 -2.27 0.00 0.00 64.05 60.29 1bwm n THR 5 Cb 0.31 0.60 -0.03 0.00 -2.10 0.00 0.00 70.33 69.12 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 -3.15 1.23 1.00 -0.78 2.00 -1.23 -2.61 119.66 116.11 1bwm s GLN 6 Ca 0.14 -0.50 -0.13 0.00 -2.00 0.00 0.00 55.36 52.87 1bwm s GLN 6 Cb 0.01 0.56 0.09 0.00 0.80 0.00 0.00 33.01 34.47 1bwm s GLN 6 CO 0.10 -0.52 0.49 0.43 -0.50 0.00 0.00 175.29 175.29 1bwm n SER 7 N -0.30 -1.72 -3.50 6.67 7.64 0.40 -4.86 113.62 117.95 1bwm n SER 7 Ca -0.17 0.22 -0.30 0.00 1.01 0.00 0.00 58.87 59.63 1bwm n SER 7 Cb 0.64 -1.21 0.28 0.00 -1.01 0.00 0.00 64.21 62.92 1bwm n SER 7 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1bwm s PRO 8 N -3.82 -2.70 0.00 1.43 0.05 -1.26 -4.63 135.00 124.08 1bwm s PRO 8 Ca 0.59 0.11 0.00 0.00 0.05 0.00 0.00 61.00 61.76 1bwm s PRO 8 Cb -0.20 -1.41 0.00 0.00 0.05 0.00 0.00 34.50 32.94 1bwm s PRO 8 CO 0.65 -4.72 0.00 2.89 0.05 0.00 0.00 177.00 175.88 1bwm n ARG 9 N -5.51 2.70 -2.71 4.56 1.85 -1.26 -4.78 116.66 111.50 1bwm n ARG 9 Ca 0.13 0.00 -0.21 0.00 -1.00 0.00 0.00 57.85 56.77 1bwm n ARG 9 Cb 0.60 0.00 0.01 0.00 -1.05 0.00 0.00 32.46 32.02 1bwm n ARG 9 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 1bwm n ASN 10 N 0.00 -5.61 -4.23 2.89 5.15 -1.26 -4.97 115.26 107.22 1bwm n ASN 10 Ca 0.00 -0.12 -0.28 0.00 -0.60 0.00 0.00 54.58 53.58 1bwm n ASN 10 Cb 0.00 -4.62 -0.16 0.00 -0.53 0.00 0.00 39.78 34.48 1bwm n ASN 10 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 1bwm s LYS 11 N -5.36 1.72 0.22 1.20 2.20 -1.26 -5.14 119.74 113.31 1bwm s LYS 11 Ca 0.14 -0.77 0.09 0.00 -0.36 0.00 0.00 55.97 55.07 1bwm s LYS 11 Cb -0.07 -1.67 -0.05 0.00 -1.51 0.00 0.00 37.83 34.53 1bwm s LYS 11 CO 0.18 0.46 -0.16 0.08 -0.36 0.00 0.00 175.35 175.55 1bwm s VAL 12 N -0.52 1.91 0.33 4.02 1.01 -1.26 -4.41 120.40 121.47 1bwm s VAL 12 Ca 0.08 -2.24 0.09 0.00 0.00 0.00 0.00 61.98 59.91 1bwm s VAL 12 Cb -0.08 -2.09 -0.06 0.00 0.00 0.00 0.00 36.38 34.15 1bwm s VAL 12 CO -0.01 -0.54 -0.09 0.00 0.00 0.00 0.00 175.10 174.47 1bwm s ALA 13 N -2.82 2.79 0.23 5.51 0.00 -1.01 -4.97 121.76 121.50 1bwm s ALA 13 Ca 0.24 -2.04 0.01 0.00 0.00 0.00 0.00 51.96 50.17 1bwm s ALA 13 Cb -0.02 0.02 0.01 0.00 0.00 0.00 0.00 23.12 23.13 1bwm s ALA 13 CO 0.09 0.04 0.08 1.33 0.00 0.00 0.00 175.76 177.29 1bwm n VAL 14 N -0.74 0.00 -1.41 0.00 0.24 -1.26 -1.20 118.33 113.96 1bwm n VAL 14 Ca -0.05 -1.03 -0.53 0.00 -2.04 0.00 0.00 64.34 60.69 1bwm n VAL 14 Cb 0.63 0.00 -0.08 0.00 -1.47 0.00 0.00 33.84 32.93 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 -0.78 0.15 -3.32 3.34 -1.04 -0.89 -0.33 114.28 111.41 1bwm n THR 15 Ca -0.06 -0.19 -0.16 0.00 -2.04 0.00 0.00 64.05 61.60 1bwm n THR 15 Cb 0.28 -1.36 0.08 0.00 -1.82 0.00 0.00 70.33 67.51 1bwm n THR 15 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1bwm n GLY 16 N 6.67 -0.36 0.00 3.41 0.00 0.37 -4.97 105.19 110.31 1bwm n GLY 16 Ca 0.44 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.56 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 -1.13 1.46 0.00 -0.02 0.00 0.55 -4.74 105.19 101.30 1bwm n GLY 17 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.67 1.61 4.76 -1.26 -4.82 118.16 114.77 1bwm n LYS 18 Ca 0.00 0.00 -0.21 0.00 -2.87 0.00 0.00 58.31 55.23 1bwm n LYS 18 Cb 0.00 0.00 -0.18 0.00 -1.84 0.00 0.00 35.03 33.01 1bwm n LYS 18 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1bwm s VAL 19 N -2.00 -0.07 -0.30 -0.18 1.01 -0.59 -4.79 120.40 113.48 1bwm s VAL 19 Ca 0.00 0.37 -0.08 0.00 0.00 0.00 0.00 61.98 62.27 1bwm s VAL 19 Cb 0.00 -0.21 -0.00 0.00 0.00 0.00 0.00 36.38 36.17 1bwm s VAL 19 CO 0.00 0.16 0.11 -0.89 0.00 0.00 0.00 175.10 174.47 1bwm s THR 20 N 2.15 4.23 -0.38 3.92 2.01 -1.26 -2.19 115.64 124.13 1bwm s THR 20 Ca 0.05 -0.54 0.01 0.00 0.31 0.00 0.00 61.69 61.52 1bwm s THR 20 Cb -0.12 -3.15 0.12 0.00 0.01 0.00 0.00 72.50 69.35 1bwm s THR 20 CO -0.04 0.10 0.16 -0.76 -0.69 0.00 0.00 174.62 173.39 1bwm s LEU 21 N 1.55 2.87 -0.38 4.42 1.43 -1.06 -4.75 118.68 122.76 1bwm s LEU 21 Ca 0.04 -2.18 -0.11 0.00 -1.03 0.00 0.00 54.13 50.85 1bwm s LEU 21 Cb -0.17 -1.08 0.03 0.00 0.03 0.00 0.00 46.19 45.00 1bwm s LEU 21 CO 0.04 -0.34 0.21 -0.44 0.23 0.00 0.00 176.35 176.05 1bwm s SER 22 N 0.91 5.75 -0.05 2.29 0.01 -1.26 -2.59 113.70 118.76 1bwm s SER 22 Ca 0.14 -1.01 0.03 0.00 1.31 0.00 0.00 55.95 56.41 1bwm s SER 22 Cb -0.21 -2.03 0.01 0.00 0.21 0.00 0.00 66.02 64.00 1bwm s SER 22 CO -0.11 -0.39 -0.12 0.00 0.41 0.00 0.00 173.24 173.02 1bwm s ASN 24 N 0.46 -0.13 0.32 0.00 2.20 -1.07 -2.40 114.94 114.31 1bwm s ASN 24 Ca -0.10 0.16 0.04 0.00 -0.94 0.00 0.00 52.86 52.01 1bwm s ASN 24 Cb -0.13 0.34 -0.04 0.00 -2.00 0.00 0.00 41.25 39.42 1bwm s ASN 24 CO 0.03 -0.23 0.16 0.00 -2.94 0.00 0.00 177.10 174.12 1bwm s GLN 25 N -0.61 1.65 -0.36 3.55 0.00 -0.57 0.69 119.66 123.99 1bwm s GLN 25 Ca -0.07 -1.95 0.05 0.00 -0.00 0.00 0.00 55.36 53.39 1bwm s GLN 25 Cb -0.04 -0.13 0.23 0.00 0.00 0.00 0.00 33.01 33.07 1bwm s GLN 25 CO 0.01 -0.47 1.21 -2.37 0.00 0.00 0.00 175.29 173.68 1bwm n THR 26 N -0.62 0.00 -1.10 3.63 5.66 -1.26 -4.66 114.28 115.93 1bwm n THR 26 Ca 0.01 -1.06 -0.03 0.00 -3.05 0.00 0.00 64.05 59.92 1bwm n THR 26 Cb 0.65 0.86 0.28 0.00 -1.55 0.00 0.00 70.33 70.57 1bwm n THR 26 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1bwm n ASN 27 N -0.40 4.31 -2.46 1.09 4.13 -1.26 -4.85 115.26 115.82 1bwm n ASN 27 Ca -0.13 -3.27 -0.13 0.00 1.68 0.00 0.00 54.58 52.72 1bwm n ASN 27 Cb 0.74 -0.69 0.05 0.00 -1.54 0.00 0.00 39.78 38.34 1bwm n ASN 27 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1bwm n ASN 28 N -0.38 -3.72 -4.72 6.41 2.85 -1.26 -4.95 115.26 109.49 1bwm n ASN 28 Ca 0.36 -0.36 -0.40 0.00 -0.11 0.00 0.00 54.58 54.08 1bwm n ASN 28 Cb 1.25 -3.35 -0.05 0.00 1.24 0.00 0.00 39.78 38.87 1bwm n ASN 28 CO 0.00 0.00 0.00 -1.38 -2.11 0.00 0.00 177.26 173.77 1bwm s HIS 29 N -3.21 3.62 -2.18 1.20 -3.43 -1.26 -4.66 115.29 105.37 1bwm s HIS 29 Ca 0.23 1.35 0.24 0.00 -0.80 0.00 0.00 55.06 56.08 1bwm s HIS 29 Cb -0.10 -2.84 1.14 0.00 -1.43 0.00 0.00 32.58 29.34 1bwm s HIS 29 CO 0.46 0.12 1.77 -1.71 -2.00 0.00 0.00 174.74 173.37 1bwm n ASN 30 N 3.59 0.81 -3.64 7.38 2.85 -1.09 -4.83 115.26 120.33 1bwm n ASN 30 Ca -0.01 -1.44 -0.08 0.00 -0.11 0.00 0.00 54.58 52.94 1bwm n ASN 30 Cb 0.51 -0.03 -0.07 0.00 1.24 0.00 0.00 39.78 41.43 1bwm n ASN 30 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 1bwm s ASN 31 N -1.74 -0.52 -0.02 1.20 3.84 -1.22 -4.77 114.94 111.71 1bwm s ASN 31 Ca 0.35 0.94 0.06 0.00 0.21 0.00 0.00 52.86 54.43 1bwm s ASN 31 Cb 0.18 1.04 -0.02 0.00 -0.55 0.00 0.00 41.25 41.89 1bwm s ASN 31 CO 0.28 -0.16 -0.21 -0.32 -2.79 0.00 0.00 177.10 173.90 1bwm s MET 32 N 0.60 2.24 0.15 0.43 -2.45 0.08 -3.09 119.30 117.26 1bwm s MET 32 Ca -0.01 -0.86 0.10 0.00 -1.25 0.00 0.00 55.69 53.68 1bwm s MET 32 Cb -0.05 -2.17 -0.04 0.00 1.25 0.00 0.00 34.83 33.82 1bwm s MET 32 CO -0.09 0.58 -0.21 0.71 1.05 0.00 0.00 175.02 177.06 1bwm s TYR 33 N -0.69 2.42 -0.11 4.11 2.02 -0.58 -2.36 117.35 122.16 1bwm s TYR 33 Ca 0.11 -0.32 -0.02 0.00 -0.37 0.00 0.00 57.07 56.48 1bwm s TYR 33 Cb -0.10 -1.26 0.04 0.00 -0.40 0.00 0.00 41.96 40.23 1bwm s TYR 33 CO 0.00 0.41 -0.00 -0.46 -1.57 0.00 0.00 175.55 173.93 1bwm s TRP 34 N -1.31 0.92 0.36 2.71 -0.00 -0.74 -2.63 118.94 118.25 1bwm s TRP 34 Ca 0.18 -0.45 0.04 0.00 -0.00 0.00 0.00 56.10 55.86 1bwm s TRP 34 Cb -0.10 -0.94 -0.05 0.00 -0.00 0.00 0.00 33.47 32.38 1bwm s TRP 34 CO 0.09 -0.43 0.07 0.71 -0.00 0.00 0.00 176.95 177.39 1bwm s TYR 35 N 1.89 1.93 -0.05 5.86 1.51 -1.08 -2.78 117.35 124.64 1bwm s TYR 35 Ca 0.03 -1.03 -0.04 0.00 -1.01 0.00 0.00 57.07 55.02 1bwm s TYR 35 Cb -0.14 -1.28 0.01 0.00 -0.11 0.00 0.00 41.96 40.45 1bwm s TYR 35 CO -0.06 -0.04 0.13 0.50 -1.11 0.00 0.00 175.55 174.96 1bwm s ARG 36 N -3.85 0.15 -0.28 -0.62 3.52 -0.78 -2.61 118.95 114.47 1bwm s ARG 36 Ca 0.32 0.19 -0.13 0.00 -0.13 0.00 0.00 55.73 55.98 1bwm s ARG 36 Cb 0.07 0.06 -0.04 0.00 -1.56 0.00 0.00 34.95 33.48 1bwm s ARG 36 CO 0.15 -0.03 0.28 -1.14 -0.81 0.00 0.00 175.30 173.75 1bwm s GLN 37 N 0.13 3.92 -0.03 5.12 2.00 -0.77 -1.90 119.66 128.13 1bwm s GLN 37 Ca -0.01 -0.21 0.20 0.00 -2.00 0.00 0.00 55.36 53.34 1bwm s GLN 37 Cb -0.02 -3.68 0.34 0.00 0.80 0.00 0.00 33.01 30.45 1bwm s GLN 37 CO -0.00 -0.26 1.14 -0.40 -0.50 0.00 0.00 175.29 175.26 1bwm n ASP 38 N 5.20 0.53 0.00 6.67 5.75 -1.14 -2.69 116.55 130.86 1bwm n ASP 38 Ca -0.11 -2.01 0.00 0.00 -0.01 0.00 0.00 54.79 52.66 1bwm n ASP 38 Cb 0.51 -0.15 0.00 0.00 -1.03 0.00 0.00 41.12 40.45 1bwm n ASP 38 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 1bwm n THR 39 N 0.26 0.00 0.00 2.12 -1.04 -1.23 -4.63 114.28 109.77 1bwm n THR 39 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 1bwm n THR 39 Cb 1.02 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.53 1bwm n THR 39 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1bwm n GLY 40 N 0.00 0.84 0.00 3.41 0.00 -1.26 -2.22 105.19 105.96 1bwm n GLY 40 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1bwm n GLY 40 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1bwm n HIS 41 N 0.00 0.00 0.00 1.61 -0.00 -1.26 -5.05 115.22 110.52 1bwm n HIS 41 Ca 0.00 -0.26 0.00 0.00 -0.00 0.00 0.00 57.72 57.46 1bwm n HIS 41 Cb 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 29.99 29.96 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 -0.26 2.31 3.53 -1.39 0.00 -0.94 -3.51 105.19 104.93 1bwm n GLY 42 Ca 0.00 -0.15 -0.25 0.00 0.00 0.00 0.00 46.02 45.63 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 2.53 -0.24 0.99 1.43 -1.26 -2.87 118.68 119.26 1bwm s LEU 43 Ca 0.00 -1.37 -0.11 0.00 -1.03 0.00 0.00 54.13 51.62 1bwm s LEU 43 Cb 0.00 -0.65 0.09 0.00 0.03 0.00 0.00 46.19 45.67 1bwm s LEU 43 CO 0.00 -0.52 0.56 -0.60 0.23 0.00 0.00 176.35 176.02 1bwm s ARG 44 N -3.80 0.52 0.34 1.70 6.06 -0.80 -4.85 118.95 118.14 1bwm s ARG 44 Ca 0.36 1.15 -0.26 0.00 -2.50 0.00 0.00 55.73 54.48 1bwm s ARG 44 Cb 0.09 0.34 -0.10 0.00 0.06 0.00 0.00 34.95 35.34 1bwm s ARG 44 CO 0.17 -0.19 0.98 -1.17 -2.50 0.00 0.00 175.30 172.59 1bwm s LEU 45 N 2.12 4.29 0.00 -0.88 2.96 -1.26 -1.86 118.68 124.05 1bwm s LEU 45 Ca -0.07 1.92 0.00 0.00 -0.22 0.00 0.00 54.13 55.76 1bwm s LEU 45 Cb -0.09 -4.05 0.00 0.00 0.50 0.00 0.00 46.19 42.55 1bwm s LEU 45 CO -0.17 -0.20 0.00 2.30 -1.32 0.00 0.00 176.35 176.97 1bwm n ILE 46 N 0.39 0.00 -4.22 6.68 -0.00 -1.12 -3.16 119.36 117.94 1bwm n ILE 46 Ca 0.03 0.00 -0.13 0.00 -0.00 0.00 0.00 62.75 62.65 1bwm n ILE 46 Cb 0.50 -0.02 -0.10 0.00 -0.00 0.00 0.00 39.64 40.02 1bwm n ILE 46 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.55 175.55 1bwm s HIS 47 N -1.02 1.12 -0.30 4.28 3.76 -1.24 0.15 115.29 122.05 1bwm s HIS 47 Ca 0.00 -0.95 -0.17 0.00 -0.15 0.00 0.00 55.06 53.80 1bwm s HIS 47 Cb 0.00 -0.63 0.19 0.00 1.11 0.00 0.00 32.58 33.25 1bwm s HIS 47 CO 0.00 -0.15 1.19 1.52 -0.85 0.00 0.00 174.74 176.45 1bwm s TYR 48 N -3.60 -0.21 -0.07 1.40 1.13 -1.26 -1.78 117.35 112.95 1bwm s TYR 48 Ca 0.19 0.41 0.00 0.00 -1.41 0.00 0.00 57.07 56.26 1bwm s TYR 48 Cb 0.05 0.13 0.02 0.00 -1.10 0.00 0.00 41.96 41.06 1bwm s TYR 48 CO 0.01 -0.11 -0.04 -1.12 -2.51 0.00 0.00 175.55 171.78 1bwm s SER 49 N 1.39 1.52 0.00 -0.18 0.01 -1.00 -4.16 113.70 111.29 1bwm s SER 49 Ca -0.06 -0.17 0.00 0.00 1.31 0.00 0.00 55.95 57.03 1bwm s SER 49 Cb -0.02 -0.57 0.00 0.00 0.21 0.00 0.00 66.02 65.63 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 4.60 0.00 -2.79 2.43 0.18 -1.26 -0.74 117.16 119.58 1bwm n TYR 50 Ca -0.16 0.00 -0.02 0.00 1.88 0.00 0.00 57.90 59.60 1bwm n TYR 50 Cb 0.50 0.00 0.06 0.00 -0.38 0.00 0.00 39.34 39.52 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 2.15 1.75 1.31 -7.48 0.00 -1.26 -4.51 105.19 97.15 1bwm n GLY 51 Ca 0.00 -0.99 0.16 0.00 0.00 0.00 0.00 46.02 45.19 1bwm n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bwm n ALA 52 N -0.60 -3.54 -2.36 4.61 0.00 -1.26 -4.73 120.51 112.62 1bwm n ALA 52 Ca 0.05 0.59 -0.14 0.00 0.00 0.00 0.00 53.44 53.94 1bwm n ALA 52 Cb 0.81 -1.31 -0.01 0.00 0.00 0.00 0.00 19.45 18.94 1bwm n ALA 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bwm n GLY 53 N -3.95 -0.38 2.73 0.00 0.00 -1.25 -4.92 105.19 97.43 1bwm n GLY 53 Ca -0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.04 2.18 0.12 1.61 0.01 -1.26 -5.09 113.70 109.22 1bwm s SER 54 Ca 0.00 -0.43 -0.25 0.00 1.31 0.00 0.00 55.95 56.58 1bwm s SER 54 Cb 0.00 -0.47 0.08 0.00 0.21 0.00 0.00 66.02 65.85 1bwm s SER 54 CO 0.00 -0.26 1.09 0.28 0.41 0.00 0.00 173.24 174.76 1bwm s THR 55 N 1.95 0.00 -1.02 1.44 -1.32 -1.26 -4.14 115.64 111.30 1bwm s THR 55 Ca 0.02 -0.49 -0.26 0.00 -1.21 0.00 0.00 61.69 59.75 1bwm s THR 55 Cb -0.15 -2.54 0.04 0.00 -1.51 0.00 0.00 72.50 68.34 1bwm s THR 55 CO -0.07 0.00 0.59 -1.84 -2.21 0.00 0.00 174.62 171.10 1bwm n GLU 56 N -0.64 -0.50 -1.79 7.08 0.28 -1.26 -4.85 120.64 118.97 1bwm n GLU 56 Ca -0.04 0.12 -0.04 0.00 -0.16 0.00 0.00 57.16 57.05 1bwm n GLU 56 Cb 0.60 -2.04 0.02 0.00 1.43 0.00 0.00 31.44 31.45 1bwm n GLU 56 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1bwm n LYS 57 N -4.22 0.63 0.00 3.44 4.76 -1.17 -5.02 118.16 116.58 1bwm n LYS 57 Ca -0.14 -1.32 0.00 0.00 -2.87 0.00 0.00 58.31 53.98 1bwm n LYS 57 Cb 0.52 0.30 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 -0.59 -2.00 0.41 0.72 0.00 0.40 -4.88 105.19 99.25 1bwm n GLY 58 Ca -0.19 -0.06 -0.04 0.00 0.00 0.00 0.00 46.02 45.73 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 1.03 -3.17 1.61 -0.08 -1.19 -4.89 116.55 109.86 1bwm n ASP 59 Ca 0.00 0.16 -0.19 0.00 -1.51 0.00 0.00 54.79 53.26 1bwm n ASP 59 Cb 0.00 -0.49 -0.03 0.00 2.34 0.00 0.00 41.12 42.94 1bwm n ASP 59 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 1bwm n ILE 60 N -3.51 0.09 -1.20 5.18 -0.00 -1.26 -5.11 119.36 113.54 1bwm n ILE 60 Ca -0.06 -4.66 -0.33 0.00 -0.00 0.00 0.00 62.75 57.70 1bwm n ILE 60 Cb 0.21 -0.34 0.12 0.00 -0.00 0.00 0.00 39.64 39.62 1bwm n ILE 60 CO 0.00 0.00 0.00 -2.16 -0.00 0.00 0.00 176.55 174.39 1bwm s PRO 61 N -2.52 1.79 -0.29 6.28 0.04 -1.26 -5.04 135.00 134.00 1bwm s PRO 61 Ca 0.41 1.73 -0.20 0.00 0.04 0.00 0.00 61.00 62.98 1bwm s PRO 61 Cb 0.35 -1.80 0.14 0.00 0.04 0.00 0.00 34.50 33.23 1bwm s PRO 61 CO -0.08 -2.10 1.04 0.34 0.04 0.00 0.00 177.00 176.23 1bwm s ASP 62 N -2.18 -0.44 -0.94 6.66 -1.08 -1.26 -5.01 116.67 112.42 1bwm s ASP 62 Ca 0.73 0.77 -0.04 0.00 -0.52 0.00 0.00 52.55 53.48 1bwm s ASP 62 Cb -0.28 1.00 -0.04 0.00 -1.46 0.00 0.00 42.92 42.14 1bwm s ASP 62 CO 0.49 -0.13 0.83 0.61 0.52 0.00 0.00 175.17 177.50 1bwm n GLY 63 N 2.98 -1.19 3.69 2.66 0.00 -1.26 -5.02 105.19 107.05 1bwm n GLY 63 Ca -0.16 0.54 -0.10 0.00 0.00 0.00 0.00 46.02 46.30 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 -3.25 0.34 -0.10 1.61 1.13 -1.26 -4.40 117.35 111.42 1bwm s TYR 65 Ca 0.29 -0.81 -0.04 0.00 -1.41 0.00 0.00 57.07 55.10 1bwm s TYR 65 Cb -0.04 0.45 0.05 0.00 -1.10 0.00 0.00 41.96 41.32 1bwm s TYR 65 CO 0.75 -1.28 0.21 0.21 -2.51 0.00 0.00 175.55 172.93 1bwm s LYS 66 N -3.16 0.11 0.08 -3.49 2.20 -0.57 -4.99 119.74 109.93 1bwm s LYS 66 Ca 0.20 0.60 -0.04 0.00 -0.36 0.00 0.00 55.97 56.37 1bwm s LYS 66 Cb -0.03 -0.14 -0.03 0.00 -1.51 0.00 0.00 37.83 36.12 1bwm s LYS 66 CO 0.12 -0.25 0.07 0.00 -0.36 0.00 0.00 175.35 174.93 1bwm s ALA 67 N 1.99 0.32 -0.12 3.13 0.00 -1.26 0.64 121.76 126.47 1bwm s ALA 67 Ca -0.02 -1.06 -0.21 0.00 0.00 0.00 0.00 51.96 50.67 1bwm s ALA 67 Cb -0.12 0.48 0.05 0.00 0.00 0.00 0.00 23.12 23.53 1bwm s ALA 67 CO -0.07 -0.45 0.53 -1.12 0.00 0.00 0.00 175.76 174.64 1bwm s SER 68 N -2.93 -0.51 -0.52 0.00 0.01 -0.28 -4.88 113.70 104.60 1bwm s SER 68 Ca 0.10 0.78 0.07 0.00 1.31 0.00 0.00 55.95 58.21 1bwm s SER 68 Cb 0.07 0.79 0.25 0.00 0.21 0.00 0.00 66.02 67.33 1bwm s SER 68 CO -0.08 -0.36 0.62 -1.14 0.41 0.00 0.00 173.24 172.70 1bwm n ARG 69 N 1.96 1.59 -0.29 12.44 3.00 -1.26 -2.69 116.66 131.41 1bwm n ARG 69 Ca -0.17 -3.94 -0.03 0.00 -0.00 0.00 0.00 57.85 53.71 1bwm n ARG 69 Cb 0.56 -1.75 0.09 0.00 0.00 0.00 0.00 32.46 31.36 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 4.16 0.99 -6.57 -0.14 0.13 -1.99 -3.32 132.00 125.27 1bwm h PRO 70 Ca 0.14 -0.06 -0.65 0.00 -0.87 0.00 0.00 66.00 64.56 1bwm h PRO 70 Cb 0.77 -0.22 -0.17 0.00 0.13 0.00 0.00 31.00 31.51 1bwm h PRO 70 CO 0.64 0.66 -0.79 -1.12 -0.23 0.00 0.00 178.00 177.16 1bwm s SER 71 N -5.86 3.71 0.38 1.44 0.01 -1.25 -4.84 113.70 107.29 1bwm s SER 71 Ca -0.13 -0.76 0.28 0.00 1.31 0.00 0.00 55.95 56.64 1bwm s SER 71 Cb 0.16 -0.41 1.19 0.00 0.21 0.00 0.00 66.02 67.17 1bwm s SER 71 CO 0.78 0.12 1.83 -0.61 0.41 0.00 0.00 173.24 175.77 1bwm h GLN 72 N 3.13 0.00 0.00 12.44 4.15 -1.94 -2.89 115.11 130.00 1bwm h GLN 72 Ca -0.47 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 58.91 1bwm h GLN 72 Cb 1.20 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.89 1bwm h GLN 72 CO 0.50 0.00 -1.83 0.39 -1.93 0.00 0.00 178.83 175.96 1bwm n GLU 73 N -2.55 0.66 -4.07 1.69 1.02 -1.26 -4.75 120.64 111.39 1bwm n GLU 73 Ca 0.01 -0.13 -0.34 0.00 -0.02 0.00 0.00 57.16 56.67 1bwm n GLU 73 Cb 0.23 -1.40 -0.10 0.00 -0.02 0.00 0.00 31.44 30.14 1bwm n GLU 73 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1bwm s ASN 74 N -4.12 5.44 -0.13 1.62 -0.87 -1.09 -1.52 114.94 114.27 1bwm s ASN 74 Ca -0.06 0.02 -0.05 0.00 -1.57 0.00 0.00 52.86 51.20 1bwm s ASN 74 Cb 0.10 -1.93 0.06 0.00 -0.02 0.00 0.00 41.25 39.46 1bwm s ASN 74 CO 0.70 0.16 0.27 0.12 -2.57 0.00 0.00 177.10 175.78 1bwm s PHE 75 N 0.45 -0.42 0.04 2.20 5.36 -1.01 -3.79 117.98 120.81 1bwm s PHE 75 Ca 0.02 0.96 0.00 0.00 -0.96 0.00 0.00 56.93 56.96 1bwm s PHE 75 Cb -0.13 0.01 -0.03 0.00 -0.34 0.00 0.00 43.02 42.53 1bwm s PHE 75 CO 0.01 -0.33 -0.04 -1.54 -1.46 0.00 0.00 175.22 171.86 1bwm s SER 76 N 2.10 0.52 0.02 6.13 1.04 -1.10 -2.58 113.70 119.84 1bwm s SER 76 Ca -0.02 -0.67 -0.28 0.00 0.48 0.00 0.00 55.95 55.46 1bwm s SER 76 Cb -0.11 0.11 0.08 0.00 0.10 0.00 0.00 66.02 66.19 1bwm s SER 76 CO -0.09 -0.36 0.71 -1.48 0.98 0.00 0.00 173.24 173.00 1bwm s LEU 77 N -1.97 -0.56 0.30 2.42 0.05 -1.07 -1.12 118.68 116.73 1bwm s LEU 77 Ca -0.07 0.34 0.02 0.00 0.05 0.00 0.00 54.13 54.47 1bwm s LEU 77 Cb -0.04 2.42 -0.04 0.00 -2.05 0.00 0.00 46.19 46.47 1bwm s LEU 77 CO -0.03 -0.71 0.12 0.27 -0.55 0.00 0.00 176.35 175.45 1bwm s ILE 78 N -2.35 0.55 -0.17 1.48 -0.00 0.21 -2.57 121.20 118.36 1bwm s ILE 78 Ca -0.04 -2.00 -0.01 0.00 -0.00 0.00 0.00 60.65 58.60 1bwm s ILE 78 Cb -0.01 -2.58 0.05 0.00 -0.00 0.00 0.00 42.46 39.92 1bwm s ILE 78 CO -0.02 0.00 -0.02 -0.76 -0.00 0.00 0.00 174.94 174.14 1bwm s LEU 79 N -3.39 1.44 0.15 0.37 2.01 -0.93 -1.51 118.68 116.83 1bwm s LEU 79 Ca 0.35 -0.66 0.23 0.00 0.01 0.00 0.00 54.13 54.07 1bwm s LEU 79 Cb 0.06 -0.79 0.19 0.00 0.01 0.00 0.00 46.19 45.67 1bwm s LEU 79 CO 0.15 -0.22 1.20 -0.33 1.01 0.00 0.00 176.35 178.17 1bwm h GLU 80 N 8.17 0.00 -3.28 1.70 5.08 -1.89 -1.58 114.58 122.78 1bwm h GLU 80 Ca -0.21 0.00 -0.80 0.00 -1.00 0.00 0.00 59.36 57.35 1bwm h GLU 80 Cb 1.11 0.00 -0.27 0.00 0.50 0.00 0.00 28.75 30.09 1bwm h GLU 80 CO 0.37 0.00 0.74 -0.11 -1.00 0.00 0.00 179.01 179.00 1bwm n LEU 81 N -2.34 6.03 -4.37 1.33 7.94 -1.26 -4.52 117.00 119.81 1bwm n LEU 81 Ca 0.02 -5.09 -0.45 0.00 -1.11 0.00 0.00 56.01 49.38 1bwm n LEU 81 Cb 0.48 -1.38 -0.05 0.00 0.53 0.00 0.00 43.42 43.01 1bwm n LEU 81 CO 0.38 1.50 0.38 0.00 -1.11 0.00 0.00 177.39 178.54 1bwm s ALA 82 N -1.86 3.44 0.27 1.96 0.00 -1.26 -4.95 121.76 119.37 1bwm s ALA 82 Ca 0.32 -2.26 0.06 0.00 0.00 0.00 0.00 51.96 50.08 1bwm s ALA 82 Cb -0.01 -3.50 -0.03 0.00 0.00 0.00 0.00 23.12 19.58 1bwm s ALA 82 CO 0.02 -2.32 0.31 0.95 0.00 0.00 0.00 175.76 174.72 1bwm s THR 83 N 2.57 4.51 0.00 0.00 -4.23 -1.26 0.14 115.64 117.37 1bwm s THR 83 Ca 0.11 -1.20 -0.02 0.00 -1.18 0.00 0.00 61.69 59.40 1bwm s THR 83 Cb -0.25 -3.52 -0.09 0.00 1.34 0.00 0.00 72.50 69.99 1bwm s THR 83 CO 0.06 -0.29 1.56 -0.81 -0.54 0.00 0.00 174.62 174.60 1bwm n PRO 84 N -1.36 0.73 -0.31 3.99 -0.05 -1.26 -2.70 135.00 134.04 1bwm n PRO 84 Ca -0.06 -0.32 -0.01 0.00 -0.05 0.00 0.00 63.50 63.07 1bwm n PRO 84 Cb 0.58 -1.61 -0.01 0.00 -0.05 0.00 0.00 33.50 32.41 1bwm n PRO 84 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 175.50 175.88 1bwm n SER 85 N 2.56 -0.08 0.00 3.54 7.64 -1.26 -5.00 113.62 121.03 1bwm n SER 85 Ca 0.14 -0.24 0.00 0.00 1.01 0.00 0.00 58.87 59.78 1bwm n SER 85 Cb 0.34 0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.56 1bwm n SER 85 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1bwm n GLN 86 N 0.00 1.19 -0.56 1.43 -0.00 -1.10 -5.11 117.38 113.23 1bwm n GLN 86 Ca -0.02 0.00 -0.28 0.00 -0.00 0.00 0.00 57.00 56.70 1bwm n GLN 86 Cb 0.19 -0.46 0.19 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 -0.39 0.00 -2.00 -0.39 -1.04 -1.26 -4.99 114.28 104.21 1bwm n THR 87 Ca 0.00 -0.21 0.00 0.00 -2.04 0.00 0.00 64.05 61.80 1bwm n THR 87 Cb 0.00 -0.64 0.00 0.00 -1.82 0.00 0.00 70.33 67.87 1bwm n THR 87 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1bwm n SER 88 N -2.27 0.00 -4.41 8.00 7.64 -0.92 -4.92 113.62 116.75 1bwm n SER 88 Ca 0.03 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.56 1bwm n SER 88 Cb 0.54 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.61 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 -3.41 4.05 -0.25 0.44 1.01 -1.10 -1.91 120.40 119.22 1bwm s VAL 89 Ca 0.00 -0.26 -0.15 0.00 0.00 0.00 0.00 61.98 61.57 1bwm s VAL 89 Cb 0.00 -2.87 -0.04 0.00 0.00 0.00 0.00 36.38 33.47 1bwm s VAL 89 CO 0.00 0.37 0.37 -0.31 0.00 0.00 0.00 175.10 175.53 1bwm s TYR 90 N 1.51 3.28 0.02 5.22 2.02 0.27 -1.85 117.35 127.82 1bwm s TYR 90 Ca 0.06 0.45 0.05 0.00 -0.37 0.00 0.00 57.07 57.26 1bwm s TYR 90 Cb -0.15 -2.55 -0.02 0.00 -0.40 0.00 0.00 41.96 38.84 1bwm s TYR 90 CO 0.02 -0.17 -0.16 -0.06 -1.57 0.00 0.00 175.55 173.61 1bwm s PHE 91 N 1.87 1.40 -0.02 2.71 0.40 -1.07 -0.25 117.98 123.01 1bwm s PHE 91 Ca 0.16 -0.32 0.02 0.00 -0.60 0.00 0.00 56.93 56.18 1bwm s PHE 91 Cb -0.15 -0.86 0.01 0.00 0.51 0.00 0.00 43.02 42.53 1bwm s PHE 91 CO 0.09 0.03 -0.06 0.00 0.70 0.00 0.00 175.22 175.98 1bwm s ALA 93 N 0.25 0.41 -0.06 0.00 0.00 -1.08 -3.37 121.76 117.92 1bwm s ALA 93 Ca -0.03 -1.03 -0.02 0.00 0.00 0.00 0.00 51.96 50.88 1bwm s ALA 93 Cb -0.07 0.23 0.04 0.00 0.00 0.00 0.00 23.12 23.32 1bwm s ALA 93 CO -0.00 -0.30 0.12 -1.12 0.00 0.00 0.00 175.76 174.45 1bwm s SER 94 N -2.49 -0.07 0.34 0.00 0.01 -1.26 -1.53 113.70 108.70 1bwm s SER 94 Ca 0.00 0.24 0.07 0.00 1.31 0.00 0.00 55.95 57.58 1bwm s SER 94 Cb 0.03 0.13 -0.03 0.00 0.21 0.00 0.00 66.02 66.36 1bwm s SER 94 CO -0.07 -0.14 0.27 0.61 0.41 0.00 0.00 173.24 174.31 1bwm n GLY 95 N 4.20 2.94 0.00 3.44 0.00 -1.18 -2.60 105.19 112.00 1bwm n GLY 95 Ca -0.27 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 43.83 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 -0.66 0.57 3.65 -0.02 0.00 -1.26 -2.65 105.19 104.82 1bwm n GLY 96 Ca 0.06 -1.87 -0.24 0.00 0.00 0.00 0.00 46.02 43.97 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 -0.06 2.33 2.47 1.61 -2.07 -1.26 -4.67 119.66 118.01 1bwm s GLN 97 Ca 0.00 -1.33 0.00 0.00 -1.82 0.00 0.00 55.36 52.21 1bwm s GLN 97 Cb 0.00 -2.22 0.00 0.00 -1.09 0.00 0.00 33.01 29.70 1bwm s GLN 97 CO 0.00 0.39 0.00 0.41 -1.32 0.00 0.00 175.29 174.77 1bwm n GLY 98 N -0.70 1.81 2.90 2.60 0.00 -1.26 -4.55 105.19 105.99 1bwm n GLY 98 Ca -0.07 -0.24 -0.30 0.00 0.00 0.00 0.00 46.02 45.40 1bwm n GLY 98 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1bwm s ARG 99 N 0.00 1.68 -0.02 1.61 3.52 -1.26 -5.04 118.95 119.43 1bwm s ARG 99 Ca 0.00 -2.29 -0.15 0.00 -0.13 0.00 0.00 55.73 53.16 1bwm s ARG 99 Cb 0.00 -3.01 0.03 0.00 -1.56 0.00 0.00 34.95 30.41 1bwm s ARG 99 CO 0.00 -1.09 0.33 0.00 -0.81 0.00 0.00 175.30 173.73 1bwm s ALA 104 N 0.14 -0.84 0.33 6.12 0.00 -1.26 -4.97 121.76 121.27 1bwm s ALA 104 Ca 0.16 0.42 -0.01 0.00 0.00 0.00 0.00 51.96 52.53 1bwm s ALA 104 Cb -0.24 0.02 -0.04 0.00 0.00 0.00 0.00 23.12 22.86 1bwm s ALA 104 CO -0.02 -0.26 0.55 -1.21 0.00 0.00 0.00 175.76 174.82 1bwm s GLU 105 N -1.21 3.53 -0.43 0.00 2.02 -1.26 -4.53 118.70 116.82 1bwm s GLU 105 Ca -0.12 -0.21 -0.26 0.00 0.02 0.00 0.00 54.97 54.39 1bwm s GLU 105 Cb -0.05 -2.66 0.02 0.00 0.10 0.00 0.00 34.13 31.55 1bwm s GLU 105 CO 0.04 0.17 0.96 -0.65 0.02 0.00 0.00 175.26 175.80 1bwm s GLN 106 N -4.05 3.68 -0.98 1.61 -0.21 -1.26 -4.42 119.66 114.04 1bwm s GLN 106 Ca 0.41 0.38 -0.21 0.00 0.02 0.00 0.00 55.36 55.96 1bwm s GLN 106 Cb -0.10 -3.88 -0.11 0.00 1.00 0.00 0.00 33.01 29.92 1bwm s GLN 106 CO 0.34 -1.14 1.94 1.19 -2.12 0.00 0.00 175.29 175.50 1bwm n PHE 107 N 7.12 2.42 -2.02 0.91 3.01 -1.07 -4.44 117.46 123.39 1bwm n PHE 107 Ca 0.07 -1.87 -0.41 0.00 1.01 0.00 0.00 57.45 56.25 1bwm n PHE 107 Cb 0.48 -2.09 -0.02 0.00 -0.01 0.00 0.00 39.48 37.84 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 6.53 3.01 0.40 1.38 0.08 -1.26 -4.01 117.98 124.12 1bwm s PHE 108 Ca 0.59 1.06 0.06 0.00 0.12 0.00 0.00 56.93 58.77 1bwm s PHE 108 Cb 0.09 -3.81 0.06 0.00 -0.57 0.00 0.00 43.02 38.80 1bwm s PHE 108 CO 0.11 -2.60 0.51 0.41 -0.10 0.00 0.00 175.22 173.54 1bwm n GLY 109 N 2.06 2.12 3.56 4.36 0.00 -1.22 -4.91 105.19 111.16 1bwm n GLY 109 Ca 0.06 -2.21 -0.21 0.00 0.00 0.00 0.00 46.02 43.66 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 -1.79 0.46 -0.75 1.61 -0.05 -1.26 -4.83 135.00 128.37 1bwm n PRO 110 Ca 0.09 -1.82 -0.33 0.00 -0.05 0.00 0.00 63.50 61.40 1bwm n PRO 110 Cb 0.42 -3.75 0.14 0.00 -0.05 0.00 0.00 33.50 30.26 1bwm n PRO 110 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 1bwm n GLY 111 N 5.91 -2.28 3.60 0.55 0.00 -1.26 -4.40 105.19 107.30 1bwm n GLY 111 Ca 0.43 -0.76 -0.28 0.00 0.00 0.00 0.00 46.02 45.40 1bwm n GLY 111 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bwm s THR 112 N -2.32 3.45 -0.13 2.61 2.01 0.65 -4.85 115.64 117.05 1bwm s THR 112 Ca 0.56 -1.38 -0.04 0.00 0.31 0.00 0.00 61.69 61.13 1bwm s THR 112 Cb -0.17 -2.67 0.06 0.00 0.01 0.00 0.00 72.50 69.73 1bwm s THR 112 CO 0.67 0.00 0.13 0.00 -0.69 0.00 0.00 174.62 174.74 1bwm s ARG 113 N -2.54 0.06 0.04 4.92 1.04 -1.26 0.98 118.95 122.18 1bwm s ARG 113 Ca 0.24 0.22 0.02 0.00 -1.04 0.00 0.00 55.73 55.17 1bwm s ARG 113 Cb -0.10 -1.08 -0.02 0.00 -2.04 0.00 0.00 34.95 31.71 1bwm s ARG 113 CO 0.16 -0.52 -0.06 -0.48 -0.04 0.00 0.00 175.30 174.35 1bwm s LEU 114 N 2.23 2.26 -0.03 -1.89 0.05 -0.80 -4.60 118.68 115.90 1bwm s LEU 114 Ca 0.04 -0.55 0.06 0.00 0.05 0.00 0.00 54.13 53.73 1bwm s LEU 114 Cb -0.14 -0.09 -0.01 0.00 -2.05 0.00 0.00 46.19 43.90 1bwm s LEU 114 CO -0.08 -0.24 -0.20 -0.89 -0.55 0.00 0.00 176.35 174.39 1bwm s THR 115 N -1.46 1.64 -0.09 5.48 2.01 -1.26 -2.17 115.64 119.79 1bwm s THR 115 Ca -0.11 -0.87 -0.14 0.00 0.31 0.00 0.00 61.69 60.88 1bwm s THR 115 Cb -0.10 -1.37 -0.05 0.00 0.01 0.00 0.00 72.50 70.99 1bwm s THR 115 CO -0.00 0.46 0.35 -0.69 -0.69 0.00 0.00 174.62 174.05 1bwm s VAL 116 N -0.35 5.21 0.00 3.82 1.01 -1.26 -2.41 120.40 126.42 1bwm s VAL 116 Ca 0.04 0.68 0.00 0.00 0.00 0.00 0.00 61.98 62.70 1bwm s VAL 116 Cb -0.09 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.62 1bwm s VAL 116 CO 0.00 0.47 0.00 0.18 0.00 0.00 0.00 175.10 175.76 1bwm n LEU 116 N 2.77 0.00 0.00 3.92 4.32 -0.34 -4.34 117.00 123.33 1bwm n LEU 116 Ca -0.13 0.00 -0.25 0.00 -0.02 0.00 0.00 56.01 55.61 1bwm n LEU 116 Cb 0.52 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.27 1bwm n LEU 116 CO 0.38 -0.40 -0.18 0.61 -1.22 0.00 0.00 177.39 176.59 1bwm n GLY 201 N 5.00 3.60 1.64 -0.72 0.00 -1.26 -2.09 105.19 111.36 1bwm n GLY 201 Ca 0.00 -2.26 0.00 0.00 0.00 0.00 0.00 46.02 43.76 1bwm n GLY 201 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1bwm n SER 202 N -1.36 0.14 0.00 1.61 7.64 -1.26 -4.56 113.62 115.82 1bwm n SER 202 Ca -0.13 0.18 0.00 0.00 1.01 0.00 0.00 58.87 59.93 1bwm n SER 202 Cb 0.52 0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.79 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 -2.99 0.17 -2.80 6.43 -0.08 -1.26 -5.01 116.55 111.02 1bwm n ASP 203 Ca 0.00 0.00 -0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1bwm n ASP 203 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1bwm n ASP 203 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 1bwm n TYR 204 N 0.00 -3.37 0.00 -0.67 4.01 -1.26 -5.02 117.16 110.85 1bwm n TYR 204 Ca 0.00 1.49 0.00 0.00 -0.16 0.00 0.00 57.90 59.23 1bwm n TYR 204 Cb 0.00 -3.54 0.00 0.00 -0.31 0.00 0.00 39.34 35.49 1bwm n TYR 204 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1bwm n LYS 205 N 0.78 0.00 -0.01 -0.72 5.02 -1.26 -5.00 118.16 116.97 1bwm n LYS 205 Ca 0.00 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1bwm n LYS 205 Cb 0.09 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.10 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 0.00 0.00 -2.02 4.39 5.19 -2.05 -3.42 116.42 118.52 1bwm h ASP 206 Ca 0.00 0.00 -0.51 0.00 -0.62 0.00 0.00 57.03 55.90 1bwm h ASP 206 Cb 0.00 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.46 1bwm h ASP 206 CO 0.00 0.06 1.22 -1.81 -3.12 0.00 0.00 179.24 175.59 1bwm s ASP 207 N -3.32 5.63 0.00 6.45 1.11 -1.26 -4.70 116.67 120.59 1bwm s ASP 207 Ca -0.00 -0.07 0.00 0.00 0.18 0.00 0.00 52.55 52.66 1bwm s ASP 207 Cb 0.00 -2.54 0.00 0.00 1.07 0.00 0.00 42.92 41.45 1bwm s ASP 207 CO 0.00 -2.17 0.00 0.47 1.18 0.00 0.00 175.17 174.65 1bwm n ASP 208 N 11.45 0.00 -2.73 0.27 9.92 -1.26 -4.88 116.55 129.32 1bwm n ASP 208 Ca 0.16 0.00 -0.04 0.00 -0.53 0.00 0.00 54.79 54.38 1bwm n ASP 208 Cb 0.51 0.00 0.02 0.00 -0.64 0.00 0.00 41.12 41.00 1bwm n ASP 208 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1bwm n ASP 209 N -2.42 -2.80 -2.15 -2.24 8.00 -1.26 -5.02 116.55 108.65 1bwm n ASP 209 Ca 0.00 -2.27 -0.24 0.00 0.71 0.00 0.00 54.79 53.00 1bwm n ASP 209 Cb 0.00 1.42 0.02 0.00 -0.02 0.00 0.00 41.12 42.54 1bwm n ASP 209 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1bwm n LYS 210 N 2.82 3.49 0.00 -1.24 4.81 -1.26 -4.75 118.16 122.03 1bwm n LYS 210 Ca 0.16 -4.21 0.00 0.00 -0.87 0.00 0.00 58.31 53.39 1bwm n LYS 210 Cb 0.59 -2.24 0.00 0.00 0.02 0.00 0.00 35.03 33.40 1bwm n LYS 210 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 1bwm n ARG 211 N -0.65 0.00 -2.56 1.64 0.63 -1.26 -5.05 116.66 109.41 1bwm n ARG 211 Ca 0.41 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.93 1bwm n ARG 211 Cb 0.90 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.78 1bwm n ARG 211 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1bwm s SER 212 N -1.26 6.39 0.16 6.15 0.15 -1.26 -4.97 113.70 119.05 1bwm s SER 212 Ca 0.00 -1.13 0.02 0.00 0.70 0.00 0.00 55.95 55.55 1bwm s SER 212 Cb 0.00 -2.56 0.02 0.00 -1.71 0.00 0.00 66.02 61.77 1bwm s SER 212 CO 0.00 -1.61 0.20 0.61 1.20 0.00 0.00 173.24 173.64 1bwm n GLY 213 N 6.36 2.23 0.00 9.45 0.00 -1.26 -5.05 105.19 116.92 1bwm n GLY 213 Ca 0.23 -2.17 0.00 0.00 0.00 0.00 0.00 46.02 44.07 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 3.01 -0.32 0.60 -0.02 0.00 -1.26 -5.04 105.19 102.16 1bwm n GLY 214 Ca 0.03 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.31 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 -0.26 0.62 3.87 -0.02 0.00 -1.26 -5.09 105.19 103.05 1bwm n GLY 215 Ca 0.00 -0.28 -0.25 0.00 0.00 0.00 0.00 46.02 45.49 1bwm n GLY 215 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bwm s GLY 216 N -2.19 1.64 -0.54 -0.02 0.00 -1.26 -5.04 107.32 99.90 1bwm s GLY 216 Ca 0.00 -1.17 -0.28 0.00 0.00 0.00 0.00 44.72 43.27 1bwm s GLY 216 CO 0.00 -1.18 1.29 -1.35 0.00 0.00 0.00 173.10 171.86 1bwm s SER 217 N -3.30 6.34 0.30 1.64 1.04 -1.26 -4.81 113.70 113.64 1bwm s SER 217 Ca 0.33 0.29 0.00 0.00 0.48 0.00 0.00 55.95 57.04 1bwm s SER 217 Cb -0.10 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.47 1bwm s SER 217 CO 0.26 -1.54 0.00 0.61 0.98 0.00 0.00 173.24 173.55 1bwm n GLY 218 N 5.12 1.06 0.33 7.32 0.00 -1.26 -4.33 105.19 113.42 1bwm n GLY 218 Ca 0.11 -0.78 -0.18 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.28 3.47 -0.02 0.00 -1.26 -4.88 105.19 102.22 1bwm n GLY 219 Ca 0.00 -0.10 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 1bwm n GLY 219 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bwm s GLY 220 N -5.44 1.77 0.00 -0.02 0.00 -1.26 -4.75 107.32 97.62 1bwm s GLY 220 Ca -0.25 -1.56 0.00 0.00 0.00 0.00 0.00 44.72 42.91 1bwm s GLY 220 CO 0.35 1.44 0.00 0.61 0.00 0.00 0.00 173.10 175.50 1bwm n GLY 221 N 5.13 -1.53 3.49 0.20 0.00 -1.26 -4.91 105.19 106.31 1bwm n GLY 221 Ca -0.05 0.56 -0.20 0.00 0.00 0.00 0.00 46.02 46.33 1bwm n GLY 221 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1bwm n SER 222 N -0.45 -6.05 0.00 1.61 2.88 -1.26 -3.20 113.62 107.15 1bwm n SER 222 Ca 0.00 -0.72 0.00 0.00 -1.33 0.00 0.00 58.87 56.82 1bwm n SER 222 Cb 0.00 -3.74 0.00 0.00 -0.75 0.00 0.00 64.21 59.72 1bwm n SER 222 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1bwm n GLY 223 N -1.66 2.23 3.64 0.46 0.00 -1.26 -4.76 105.19 103.84 1bwm n GLY 223 Ca -0.11 -0.21 -0.05 0.00 0.00 0.00 0.00 46.02 45.65 1bwm n GLY 223 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bwm s GLY 224 N 0.00 -0.20 -0.20 -0.02 0.00 -1.19 -5.09 107.32 100.61 1bwm s GLY 224 Ca 0.00 2.88 -0.21 0.00 0.00 0.00 0.00 44.72 47.38 1bwm s GLY 224 CO 0.00 2.45 0.59 -0.45 0.00 0.00 0.00 173.10 175.70 1bwm s SER 225 N 1.30 -0.61 0.00 1.64 0.15 -1.26 -5.04 113.70 109.89 1bwm s SER 225 Ca -0.08 1.12 0.00 0.00 0.70 0.00 0.00 55.95 57.69 1bwm s SER 225 Cb -0.04 1.13 0.00 0.00 -1.71 0.00 0.00 66.02 65.40 1bwm s SER 225 CO -0.15 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 174.65 1bwm n GLY 226 N 2.55 1.70 3.90 9.45 0.00 -1.26 -4.95 105.19 116.58 1bwm n GLY 226 Ca -0.14 -1.06 -0.29 0.00 0.00 0.00 0.00 46.02 44.53 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 0.00 3.15 0.04 4.61 0.00 -1.26 -5.22 121.76 123.08 1bwm s ALA 227 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 51.96 51.50 1bwm s ALA 227 Cb 0.00 -2.82 0.00 0.00 0.00 0.00 0.00 23.12 20.30 1bwm s ALA 227 CO 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 175.76 174.93 1bwm n GLN 301 N -2.70 -0.33 -0.06 0.00 10.64 -1.26 -5.18 117.38 118.49 1bwm n GLN 301 Ca 0.05 0.25 -0.12 0.00 -1.83 0.00 0.00 57.00 55.35 1bwm n GLN 301 Cb 0.56 -0.76 -0.04 0.00 -0.86 0.00 0.00 30.24 29.15 1bwm n GLN 301 CO 0.00 0.00 0.00 1.04 -1.83 0.00 0.00 177.06 176.27 1bwm n GLN 302 N -1.38 0.27 -1.61 2.61 6.02 -1.26 -4.95 117.38 117.08 1bwm n GLN 302 Ca 0.00 0.12 -0.45 0.00 -0.01 0.00 0.00 57.00 56.66 1bwm n GLN 302 Cb 0.01 -0.96 -0.04 0.00 1.02 0.00 0.00 30.24 30.27 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 -3.66 0.49 -4.17 5.09 0.31 -1.23 -4.23 118.33 110.94 1bwm n VAL 303 Ca -0.22 -0.26 -0.26 0.00 -0.01 0.00 0.00 64.34 63.59 1bwm n VAL 303 Cb 0.60 -2.20 -0.17 0.00 -0.91 0.00 0.00 33.84 31.16 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 5.29 1.62 -0.34 5.55 3.52 -0.79 -4.25 118.95 129.56 1bwm s ARG 304 Ca 0.97 -0.33 -0.10 0.00 -0.13 0.00 0.00 55.73 56.15 1bwm s ARG 304 Cb -0.52 -1.54 0.01 0.00 -1.56 0.00 0.00 34.95 31.34 1bwm s ARG 304 CO 0.43 -0.15 0.16 -1.14 -0.81 0.00 0.00 175.30 173.79 1bwm s GLN 305 N 1.29 3.05 0.45 5.12 0.74 -1.26 -1.80 119.66 127.25 1bwm s GLN 305 Ca -0.03 -0.91 0.00 0.00 0.05 0.00 0.00 55.36 54.47 1bwm s GLN 305 Cb -0.14 -3.60 0.00 0.00 1.10 0.00 0.00 33.01 30.38 1bwm s GLN 305 CO -0.04 -0.55 0.00 0.43 -0.55 0.00 0.00 175.29 174.58 1bwm n SER 306 N 4.96 -7.45 -0.23 6.67 7.64 -0.22 -4.37 113.62 120.62 1bwm n SER 306 Ca -0.13 0.96 -0.07 0.00 1.01 0.00 0.00 58.87 60.65 1bwm n SER 306 Cb 0.47 -4.34 0.04 0.00 -1.01 0.00 0.00 64.21 59.37 1bwm n SER 306 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1bwm h PRO 307 N -1.36 0.90 0.00 1.43 0.14 -1.94 -3.44 132.00 127.72 1bwm h PRO 307 Ca -0.09 -0.13 0.00 0.00 0.14 0.00 0.00 66.00 65.92 1bwm h PRO 307 Cb 1.31 -0.17 0.00 0.00 0.14 0.00 0.00 31.00 32.29 1bwm h PRO 307 CO 0.05 0.71 0.00 0.00 0.14 0.00 0.00 178.00 178.90 1bwm n GLN 308 N -4.51 0.00 -1.04 0.86 10.64 -1.26 -5.15 117.38 116.92 1bwm n GLN 308 Ca 0.04 0.00 0.14 0.00 -1.83 0.00 0.00 57.00 55.35 1bwm n GLN 308 Cb 0.12 0.00 -0.04 0.00 -0.86 0.00 0.00 30.24 29.46 1bwm n GLN 308 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 1bwm n SER 309 N 0.00 -6.10 -3.60 2.61 2.88 -1.26 -5.00 113.62 103.14 1bwm n SER 309 Ca 0.00 0.44 -0.08 0.00 -1.33 0.00 0.00 58.87 57.90 1bwm n SER 309 Cb 0.00 -3.30 -0.05 0.00 -0.75 0.00 0.00 64.21 60.11 1bwm n SER 309 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 1bwm s LEU 310 N -5.42 -0.28 0.39 2.46 0.20 -0.60 -4.93 118.68 110.52 1bwm s LEU 310 Ca 0.00 0.31 0.08 0.00 0.69 0.00 0.00 54.13 55.21 1bwm s LEU 310 Cb 0.00 1.64 -0.01 0.00 -0.43 0.00 0.00 46.19 47.39 1bwm s LEU 310 CO 0.00 -0.25 0.43 -0.89 -0.29 0.00 0.00 176.35 175.36 1bwm s THR 311 N -1.03 3.07 0.05 3.68 2.01 -1.26 -2.60 115.64 119.57 1bwm s THR 311 Ca 0.01 -1.20 0.02 0.00 0.31 0.00 0.00 61.69 60.83 1bwm s THR 311 Cb -0.01 -3.08 -0.03 0.00 0.01 0.00 0.00 72.50 69.40 1bwm s THR 311 CO -0.01 -0.05 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.10 1bwm s VAL 312 N -2.37 0.59 -1.10 3.82 1.01 0.85 -4.85 120.40 118.34 1bwm s VAL 312 Ca 0.49 -1.23 0.14 0.00 0.00 0.00 0.00 61.98 61.38 1bwm s VAL 312 Cb -0.06 -0.80 0.58 0.00 0.00 0.00 0.00 36.38 36.09 1bwm s VAL 312 CO 0.30 -0.45 1.44 0.79 0.00 0.00 0.00 175.10 177.17 1bwm n TRP 313 N 1.21 1.24 -2.05 5.22 7.02 -1.26 0.97 117.44 129.79 1bwm n TRP 313 Ca -0.21 -0.48 0.00 0.00 -1.02 0.00 0.00 57.50 55.79 1bwm n TRP 313 Cb 0.56 -0.24 0.00 0.00 -2.42 0.00 0.00 31.31 29.21 1bwm n TRP 313 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 1bwm n GLU 314 N 0.77 -5.36 -2.26 -0.99 4.07 -1.26 -4.47 120.64 111.14 1bwm n GLU 314 Ca 0.20 3.79 -0.19 0.00 -0.06 0.00 0.00 57.16 60.91 1bwm n GLU 314 Cb 0.76 -4.15 -0.02 0.00 -0.06 0.00 0.00 31.44 27.98 1bwm n GLU 314 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1bwm n GLY 315 N 1.65 -0.14 1.27 8.31 0.00 -1.25 -4.98 105.19 110.05 1bwm n GLY 315 Ca 0.00 -0.09 -0.11 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.77 1.55 -3.94 1.61 0.00 -1.26 -4.53 120.64 111.30 1bwm n GLU 316 Ca -0.22 -1.29 -0.33 0.00 0.00 0.00 0.00 57.16 55.32 1bwm n GLU 316 Cb 0.66 0.33 -0.05 0.00 0.00 0.00 0.00 31.44 32.38 1bwm n GLU 316 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 1bwm s THR 317 N -1.60 5.32 0.04 6.31 2.01 -1.26 -3.63 115.64 122.83 1bwm s THR 317 Ca 0.01 -0.19 -0.02 0.00 0.31 0.00 0.00 61.69 61.80 1bwm s THR 317 Cb -0.00 -3.47 -0.03 0.00 0.01 0.00 0.00 72.50 69.01 1bwm s THR 317 CO 0.00 0.34 -0.01 -0.89 -0.69 0.00 0.00 174.62 173.38 1bwm s THR 318 N -1.29 0.18 -0.26 -0.82 2.01 -0.70 -4.93 115.64 109.82 1bwm s THR 318 Ca 0.26 -1.51 -0.02 0.00 0.31 0.00 0.00 61.69 60.73 1bwm s THR 318 Cb -0.12 -1.17 0.08 0.00 0.01 0.00 0.00 72.50 71.30 1bwm s THR 318 CO 0.17 -0.83 0.07 -0.63 -0.69 0.00 0.00 174.62 172.71 1bwm s ILE 319 N -3.24 0.76 0.68 1.82 1.01 -1.26 -2.08 121.20 118.89 1bwm s ILE 319 Ca 0.01 -1.07 -0.10 0.00 0.00 0.00 0.00 60.65 59.49 1bwm s ILE 319 Cb 0.03 -1.43 0.02 0.00 0.01 0.00 0.00 42.46 41.09 1bwm s ILE 319 CO -0.08 -0.48 1.05 -0.76 0.00 0.00 0.00 174.94 174.68 1bwm s LEU 320 N 1.70 2.97 -0.17 2.97 1.02 -0.90 -4.84 118.68 121.43 1bwm s LEU 320 Ca 0.05 0.98 -0.12 0.00 0.02 0.00 0.00 54.13 55.06 1bwm s LEU 320 Cb -0.17 -3.77 0.05 0.00 0.02 0.00 0.00 46.19 42.32 1bwm s LEU 320 CO -0.19 -1.30 0.43 0.21 0.02 0.00 0.00 176.35 175.52 1bwm s ASN 321 N -4.36 -0.51 0.25 2.29 3.04 -1.26 -1.63 114.94 112.75 1bwm s ASN 321 Ca 0.57 0.92 0.11 0.00 0.04 0.00 0.00 52.86 54.50 1bwm s ASN 321 Cb -0.11 0.85 -0.05 0.00 -1.54 0.00 0.00 41.25 40.40 1bwm s ASN 321 CO 0.50 -0.18 -0.19 0.00 -3.04 0.00 0.00 177.10 174.19 1bwm s SER 323 N -3.32 -0.10 0.12 0.00 0.01 -0.74 -1.41 113.70 108.25 1bwm s SER 323 Ca 0.26 -0.04 -0.04 0.00 1.31 0.00 0.00 55.95 57.44 1bwm s SER 323 Cb -0.04 0.27 -0.03 0.00 0.21 0.00 0.00 66.02 66.43 1bwm s SER 323 CO 0.12 -0.43 0.11 -0.72 0.41 0.00 0.00 173.24 172.74 1bwm s TYR 324 N -1.40 0.59 -0.09 2.43 1.13 -1.26 -1.88 117.35 116.87 1bwm s TYR 324 Ca -0.14 -1.01 0.16 0.00 -1.41 0.00 0.00 57.07 54.68 1bwm s TYR 324 Cb -0.06 -0.31 0.34 0.00 -1.10 0.00 0.00 41.96 40.84 1bwm s TYR 324 CO 0.03 -0.54 1.16 -1.91 -2.51 0.00 0.00 175.55 171.78 1bwm n GLU 325 N -0.08 0.71 -4.34 -3.49 0.00 -1.26 -4.97 120.64 107.21 1bwm n GLU 325 Ca -0.09 -2.37 -0.25 0.00 0.00 0.00 0.00 57.16 54.45 1bwm n GLU 325 Cb 0.63 -0.82 -0.09 0.00 0.00 0.00 0.00 31.44 31.16 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 -2.39 4.17 -0.12 4.31 2.15 -1.26 -5.05 116.67 118.48 1bwm s ASP 326 Ca 0.30 -1.02 0.16 0.00 0.43 0.00 0.00 52.55 52.42 1bwm s ASP 326 Cb 0.31 -0.52 0.39 0.00 -0.30 0.00 0.00 42.92 42.80 1bwm s ASP 326 CO -0.08 -0.27 1.18 -1.20 -0.17 0.00 0.00 175.17 174.63 1bwm n SER 327 N -0.97 1.41 -1.04 -0.34 7.64 -1.26 -4.73 113.62 114.33 1bwm n SER 327 Ca -0.04 -3.06 0.03 0.00 1.01 0.00 0.00 58.87 56.81 1bwm n SER 327 Cb 0.63 -0.42 0.03 0.00 -1.01 0.00 0.00 64.21 63.43 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 -0.51 0.18 -3.37 0.44 5.66 -1.26 -5.08 114.28 110.34 1bwm n THR 328 Ca 0.13 -0.80 -0.37 0.00 -3.05 0.00 0.00 64.05 59.97 1bwm n THR 328 Cb 0.85 0.71 -0.06 0.00 -1.55 0.00 0.00 70.33 70.28 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 -0.27 3.68 -0.14 1.09 -0.12 -1.26 -3.45 117.98 117.52 1bwm s PHE 329 Ca 0.22 1.09 -0.10 0.00 -0.05 0.00 0.00 56.93 58.09 1bwm s PHE 329 Cb 0.24 -2.38 -0.05 0.00 -0.63 0.00 0.00 43.02 40.20 1bwm s PHE 329 CO -0.10 0.52 -0.06 -0.44 -0.05 0.00 0.00 175.22 175.09 1bwm h ASP 330 N 4.05 0.00 -3.55 1.98 3.32 -0.54 -3.48 116.42 118.20 1bwm h ASP 330 Ca -0.49 -0.10 -0.20 0.00 0.02 0.00 0.00 57.03 56.25 1bwm h ASP 330 Cb 1.20 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.71 1bwm h ASP 330 CO 0.64 0.81 -0.04 0.00 -1.72 0.00 0.00 179.24 178.93 1bwm n TYR 331 N -4.63 -1.57 -3.80 4.55 4.11 -1.26 -4.75 117.16 109.81 1bwm n TYR 331 Ca -0.09 -2.04 -0.30 0.00 -0.00 0.00 0.00 57.90 55.47 1bwm n TYR 331 Cb 0.27 0.58 -0.14 0.00 -0.00 0.00 0.00 39.34 40.06 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 -3.05 2.40 -0.52 -3.48 0.08 -1.26 -2.62 117.98 109.52 1bwm s PHE 332 Ca 0.24 -2.50 -0.26 0.00 0.12 0.00 0.00 56.93 54.52 1bwm s PHE 332 Cb -0.02 -2.17 -0.06 0.00 -0.57 0.00 0.00 43.02 40.19 1bwm s PHE 332 CO 0.17 -0.82 2.33 -1.25 -0.10 0.00 0.00 175.22 175.55 1bwm s PRO 333 N 0.58 2.15 -0.26 0.24 0.04 -1.25 -3.23 135.00 133.27 1bwm s PRO 333 Ca 0.15 1.25 -0.29 0.00 0.04 0.00 0.00 61.00 62.15 1bwm s PRO 333 Cb -0.23 -4.57 -0.00 0.00 0.04 0.00 0.00 34.50 29.74 1bwm s PRO 333 CO -0.06 -3.25 1.29 -1.58 0.04 0.00 0.00 177.00 173.43 1bwm s TRP 334 N 11.87 2.74 0.36 0.56 0.52 -0.76 -4.37 118.94 129.86 1bwm s TRP 334 Ca 0.93 0.92 0.04 0.00 0.02 0.00 0.00 56.10 58.01 1bwm s TRP 334 Cb -0.16 -3.78 -0.05 0.00 -1.15 0.00 0.00 33.47 28.33 1bwm s TRP 334 CO 0.24 -1.69 0.07 -0.47 0.02 0.00 0.00 176.95 175.13 1bwm s TYR 335 N 4.10 1.92 -0.11 -1.98 6.14 -1.11 -2.42 117.35 123.90 1bwm s TYR 335 Ca 0.56 -1.04 0.04 0.00 0.64 0.00 0.00 57.07 57.26 1bwm s TYR 335 Cb -0.18 -1.28 0.00 0.00 0.42 0.00 0.00 41.96 40.92 1bwm s TYR 335 CO 0.20 -0.05 -0.23 0.50 0.64 0.00 0.00 175.55 176.61 1bwm s ARG 336 N -3.84 3.04 -0.19 4.97 3.52 -0.90 -1.44 118.95 124.10 1bwm s ARG 336 Ca 0.31 -0.87 -0.08 0.00 -0.13 0.00 0.00 55.73 54.97 1bwm s ARG 336 Cb 0.07 -2.34 -0.04 0.00 -1.56 0.00 0.00 34.95 31.07 1bwm s ARG 336 CO 0.15 0.12 0.07 -1.14 -0.81 0.00 0.00 175.30 173.68 1bwm s GLN 337 N 0.50 3.96 0.24 5.12 0.74 0.23 -2.61 119.66 127.84 1bwm s GLN 337 Ca -0.15 -0.35 0.08 0.00 0.05 0.00 0.00 55.36 54.99 1bwm s GLN 337 Cb -0.17 -3.23 -0.04 0.00 1.10 0.00 0.00 33.01 30.67 1bwm s GLN 337 CO 0.05 0.24 0.12 -0.06 -0.55 0.00 0.00 175.29 175.09 1bwm s PHE 338 N 0.47 2.98 0.49 1.67 0.40 -1.26 -1.60 117.98 121.12 1bwm s PHE 338 Ca 0.03 -0.14 0.17 0.00 -0.60 0.00 0.00 56.93 56.40 1bwm s PHE 338 Cb -0.13 -1.35 1.20 0.00 0.51 0.00 0.00 43.02 43.25 1bwm s PHE 338 CO 0.01 0.55 2.08 -1.00 0.70 0.00 0.00 175.22 177.56 1bwm h PRO 339 N 1.79 0.00 0.00 0.24 0.14 -1.97 -3.41 132.00 128.79 1bwm h PRO 339 Ca -0.47 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.67 1bwm h PRO 339 Cb 1.24 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.38 1bwm h PRO 339 CO 0.61 0.09 0.00 0.41 0.14 0.00 0.00 178.00 179.25 1bwm n GLY 340 N -1.24 0.00 0.15 1.56 0.00 -1.26 -5.02 105.19 99.38 1bwm n GLY 340 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1bwm n GLY 340 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1bwm n LYS 341 N 0.00 0.00 -2.71 1.61 4.01 -1.26 -5.04 118.16 114.76 1bwm n LYS 341 Ca 0.00 0.00 -0.07 0.00 -0.51 0.00 0.00 58.31 57.73 1bwm n LYS 341 Cb 0.00 -0.08 0.06 0.00 -0.51 0.00 0.00 35.03 34.51 1bwm n LYS 341 CO 0.00 0.00 0.00 -1.13 -1.11 0.00 0.00 177.40 175.16 1bwm n SER 342 N -1.63 -2.18 -4.66 4.39 3.41 -1.26 -5.11 113.62 106.58 1bwm n SER 342 Ca 0.00 -2.66 -0.31 0.00 -0.26 0.00 0.00 58.87 55.65 1bwm n SER 342 Cb 0.00 1.36 0.17 0.00 -0.26 0.00 0.00 64.21 65.49 1bwm n SER 342 CO 0.00 0.00 0.00 -2.84 -0.16 0.00 0.00 175.04 172.04 1bwm s PRO 343 N 0.42 0.84 -0.25 4.33 0.01 -1.26 -4.94 135.00 134.15 1bwm s PRO 343 Ca 0.29 1.41 -0.35 0.00 0.01 0.00 0.00 61.00 62.36 1bwm s PRO 343 Cb 0.22 -1.72 0.16 0.00 0.01 0.00 0.00 34.50 33.18 1bwm s PRO 343 CO -0.17 -2.71 1.30 0.00 0.01 0.00 0.00 177.00 175.43 1bwm s ALA 344 N -2.65 -2.13 -0.07 -1.55 0.00 -1.07 -4.56 121.76 109.73 1bwm s ALA 344 Ca 0.66 1.79 -0.30 0.00 0.00 0.00 0.00 51.96 54.11 1bwm s ALA 344 Cb -0.23 -0.56 -0.03 0.00 0.00 0.00 0.00 23.12 22.30 1bwm s ALA 344 CO 0.59 -0.49 1.15 -1.17 0.00 0.00 0.00 175.76 175.84 1bwm s LEU 345 N -1.82 4.27 -0.12 0.00 0.20 -1.26 -2.13 118.68 117.82 1bwm s LEU 345 Ca 0.10 1.75 -0.06 0.00 0.69 0.00 0.00 54.13 56.60 1bwm s LEU 345 Cb -0.01 -3.56 -0.03 0.00 -0.43 0.00 0.00 46.19 42.16 1bwm s LEU 345 CO -0.04 -0.55 -0.04 -0.07 -0.29 0.00 0.00 176.35 175.36 1bwm h LEU 346 N 8.13 0.00 0.00 -0.68 3.38 -1.83 -3.42 115.31 120.88 1bwm h LEU 346 Ca -0.33 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.57 1bwm h LEU 346 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1bwm h LEU 346 CO 0.87 0.68 0.00 2.30 0.09 0.00 0.00 178.44 182.38 1bwm n ILE 347 N -4.68 0.00 -3.62 1.22 -0.00 -1.01 -5.06 119.36 106.20 1bwm n ILE 347 Ca -0.05 0.00 -0.03 0.00 -0.00 0.00 0.00 62.75 62.67 1bwm n ILE 347 Cb 0.17 0.00 -0.05 0.00 -0.00 0.00 0.00 39.64 39.76 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 -1.55 -2.06 0.46 -1.28 0.00 -1.26 -1.82 121.76 114.25 1bwm s ALA 348 Ca 0.00 2.34 0.00 0.00 0.00 0.00 0.00 51.96 54.30 1bwm s ALA 348 Cb 0.00 -1.65 0.00 0.00 0.00 0.00 0.00 23.12 21.47 1bwm s ALA 348 CO 0.00 -0.65 0.00 0.44 0.00 0.00 0.00 175.76 175.55 1bwm n ILE 349 N 4.77 0.00 -0.50 0.00 -5.35 -1.20 -4.94 119.36 112.14 1bwm n ILE 349 Ca -0.16 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.32 1bwm n ILE 349 Cb 0.54 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.44 1bwm n ILE 349 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 1bwm n SER 350 N 0.00 0.00 -3.50 7.28 7.64 -1.26 -4.17 113.62 119.61 1bwm n SER 350 Ca 0.00 -0.10 -0.21 0.00 1.01 0.00 0.00 58.87 59.57 1bwm n SER 350 Cb 0.00 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.26 1bwm n SER 350 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1bwm n LEU 351 N 0.00 -4.07 -0.39 -3.43 0.00 -1.26 -4.77 117.00 103.08 1bwm n LEU 351 Ca 0.00 -0.79 0.05 0.00 0.00 0.00 0.00 56.01 55.26 1bwm n LEU 351 Cb 0.03 -2.87 0.07 0.00 0.00 0.00 0.00 43.42 40.64 1bwm n LEU 351 CO 0.00 0.31 0.37 0.55 0.00 0.00 0.00 177.39 178.62 1bwm n VAL 352 N -3.87 0.86 -3.51 1.96 3.14 -1.26 -5.07 118.33 110.57 1bwm n VAL 352 Ca -0.18 -1.12 -0.16 0.00 -2.96 0.00 0.00 64.34 59.93 1bwm n VAL 352 Cb 0.64 0.20 -0.05 0.00 -1.06 0.00 0.00 33.84 33.57 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 -1.91 -0.59 0.57 6.55 0.01 -1.26 -5.01 113.70 112.06 1bwm s SER 353 Ca 0.16 0.44 0.27 0.00 1.31 0.00 0.00 55.95 58.14 1bwm s SER 353 Cb 0.15 0.54 1.51 0.00 0.21 0.00 0.00 66.02 68.43 1bwm s SER 353 CO -0.00 -0.71 2.00 -1.13 0.41 0.00 0.00 173.24 173.82 1bwm h ASN 354 N 2.76 0.00 -4.95 2.44 -0.73 -1.96 -3.43 115.58 109.71 1bwm h ASN 354 Ca -0.29 0.00 -0.05 0.00 1.87 0.00 0.00 56.30 57.83 1bwm h ASN 354 Cb 1.19 0.00 -0.18 0.00 0.27 0.00 0.00 38.32 39.60 1bwm h ASN 354 CO 0.39 0.00 0.21 -1.59 -0.37 0.00 0.00 177.43 176.08 1bwm s LYS 355 N -4.77 1.07 0.17 6.67 -2.85 -1.26 -2.31 119.74 116.46 1bwm s LYS 355 Ca -0.05 0.14 0.00 0.00 -1.00 0.00 0.00 55.97 55.06 1bwm s LYS 355 Cb 0.17 0.50 -0.04 0.00 -2.06 0.00 0.00 37.83 36.40 1bwm s LYS 355 CO 0.61 -0.36 0.05 0.21 0.10 0.00 0.00 175.35 175.96 1bwm s LYS 356 N -1.60 1.08 -0.00 1.78 2.20 -0.79 -4.92 119.74 117.49 1bwm s LYS 356 Ca -0.09 -1.53 -0.08 0.00 -0.36 0.00 0.00 55.97 53.91 1bwm s LYS 356 Cb -0.00 -0.01 0.01 0.00 -1.51 0.00 0.00 37.83 36.31 1bwm s LYS 356 CO 0.06 -0.22 0.17 -1.83 -0.36 0.00 0.00 175.35 173.16 1bwm s GLU 357 N -4.00 0.49 -0.51 4.03 -1.05 -1.26 0.19 118.70 116.59 1bwm s GLU 357 Ca 0.27 -0.33 0.07 0.00 -0.15 0.00 0.00 54.97 54.83 1bwm s GLU 357 Cb 0.07 0.21 0.19 0.00 -0.44 0.00 0.00 34.13 34.16 1bwm s GLU 357 CO 0.05 -0.12 0.72 0.34 0.95 0.00 0.00 175.26 177.20 1bwm s ASP 358 N -1.28 -1.46 0.00 0.83 -1.08 -1.08 -5.02 116.67 107.58 1bwm s ASP 358 Ca -0.14 -1.62 0.00 0.00 -0.52 0.00 0.00 52.55 50.27 1bwm s ASP 358 Cb -0.07 1.90 0.00 0.00 -1.46 0.00 0.00 42.92 43.29 1bwm s ASP 358 CO 0.02 -0.06 0.00 0.61 0.52 0.00 0.00 175.17 176.25 1bwm n GLY 359 N 3.11 1.36 0.00 2.66 0.00 -1.26 -4.51 105.19 106.55 1bwm n GLY 359 Ca 0.17 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.32 1bwm n GLY 359 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bwm n ARG 361 N 0.00 0.04 -4.33 1.61 1.74 -1.26 -5.06 116.66 109.39 1bwm n ARG 361 Ca 0.00 -0.51 -0.22 0.00 -0.77 0.00 0.00 57.85 56.35 1bwm n ARG 361 Cb 0.00 -0.80 -0.11 0.00 -1.02 0.00 0.00 32.46 30.53 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 -0.16 1.82 0.30 -1.55 -0.12 -1.26 -4.52 117.98 112.49 1bwm s PHE 362 Ca 0.00 -0.47 0.07 0.00 -0.05 0.00 0.00 56.93 56.48 1bwm s PHE 362 Cb 0.00 -0.91 -0.06 0.00 -0.63 0.00 0.00 43.02 41.42 1bwm s PHE 362 CO 0.00 0.32 -0.06 -0.08 -0.05 0.00 0.00 175.22 175.36 1bwm s THR 363 N -2.01 1.77 0.18 -4.49 -1.32 -1.14 -2.64 115.64 106.00 1bwm s THR 363 Ca 0.15 -2.13 0.11 0.00 -1.21 0.00 0.00 61.69 58.61 1bwm s THR 363 Cb -0.06 -2.54 -0.04 0.00 -1.51 0.00 0.00 72.50 68.34 1bwm s THR 363 CO 0.06 -0.24 -0.21 0.27 -2.21 0.00 0.00 174.62 172.29 1bwm s ILE 364 N -2.92 2.52 0.18 5.08 -0.00 0.13 -0.97 121.20 125.22 1bwm s ILE 364 Ca 0.31 -1.92 0.08 0.00 -0.00 0.00 0.00 60.65 59.12 1bwm s ILE 364 Cb 0.04 -2.20 -0.04 0.00 -0.00 0.00 0.00 42.46 40.25 1bwm s ILE 364 CO 0.13 -0.09 -0.17 -0.36 -0.00 0.00 0.00 174.94 174.46 1bwm s PHE 365 N -1.60 1.76 -0.31 1.37 0.08 0.32 -1.88 117.98 117.71 1bwm s PHE 365 Ca 0.21 -0.51 -0.04 0.00 0.12 0.00 0.00 56.93 56.71 1bwm s PHE 365 Cb -0.08 -0.85 0.04 0.00 -0.57 0.00 0.00 43.02 41.55 1bwm s PHE 365 CO 0.10 0.34 0.05 0.12 -0.10 0.00 0.00 175.22 175.73 1bwm s PHE 366 N -2.41 3.22 -0.49 0.36 5.36 -0.98 -2.58 117.98 120.47 1bwm s PHE 366 Ca 0.18 -1.53 -0.17 0.00 -0.96 0.00 0.00 56.93 54.45 1bwm s PHE 366 Cb -0.04 -2.19 0.06 0.00 -0.34 0.00 0.00 43.02 40.52 1bwm s PHE 366 CO 0.07 -0.73 0.50 -0.80 -1.46 0.00 0.00 175.22 172.80 1bwm s ASN 367 N 1.36 6.18 -0.01 6.13 0.01 -0.43 -4.91 114.94 123.27 1bwm s ASN 367 Ca -0.02 -1.10 -0.20 0.00 -0.71 0.00 0.00 52.86 50.82 1bwm s ASN 367 Cb -0.19 -2.23 -0.28 0.00 0.41 0.00 0.00 41.25 38.95 1bwm s ASN 367 CO 0.01 -0.76 1.00 0.11 -1.51 0.00 0.00 177.10 175.95 1bwm h LYS 368 N 8.87 0.39 -0.49 -0.60 1.57 -1.95 0.91 116.57 125.26 1bwm h LYS 368 Ca -0.28 -0.53 0.05 0.00 -1.87 0.00 0.00 60.65 58.02 1bwm h LYS 368 Cb 1.10 0.18 -0.03 0.00 0.08 0.00 0.00 32.23 33.57 1bwm h LYS 368 CO 0.91 1.21 0.32 0.00 -0.57 0.00 0.00 179.45 181.33 1bwm h ARG 369 N -0.18 0.45 -0.01 3.15 2.47 -1.98 -2.43 114.38 115.84 1bwm h ARG 369 Ca -0.13 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.57 1bwm h ARG 369 Cb 1.56 -0.10 0.00 0.00 -1.65 0.00 0.00 29.97 29.78 1bwm h ARG 369 CO 0.15 0.30 -0.30 0.39 0.56 0.00 0.00 179.97 181.07 1bwm n GLU 370 N -4.48 2.13 -3.44 0.04 1.02 -1.23 -5.03 120.64 109.66 1bwm n GLU 370 Ca 0.06 -0.57 -0.17 0.00 -0.02 0.00 0.00 57.16 56.47 1bwm n GLU 370 Cb 0.21 -1.14 0.02 0.00 -0.02 0.00 0.00 31.44 30.51 1bwm n GLU 370 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1bwm n LYS 371 N -0.38 -1.42 -3.88 3.49 5.02 0.31 -5.00 118.16 116.30 1bwm n LYS 371 Ca 0.05 0.95 -0.08 0.00 -2.02 0.00 0.00 58.31 57.21 1bwm n LYS 371 Cb 0.24 -4.41 -0.02 0.00 -0.02 0.00 0.00 35.03 30.83 1bwm n LYS 371 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1bwm s LYS 372 N -4.48 1.82 -0.23 1.97 -2.85 -0.74 -4.60 119.74 110.63 1bwm s LYS 372 Ca 0.18 -1.12 0.02 0.00 -1.00 0.00 0.00 55.97 54.05 1bwm s LYS 372 Cb -0.06 0.58 0.05 0.00 -2.06 0.00 0.00 37.83 36.35 1bwm s LYS 372 CO 0.82 -0.82 -0.14 -0.51 0.10 0.00 0.00 175.35 174.80 1bwm s LEU 373 N -2.97 2.91 -0.14 2.77 1.02 -0.50 -1.31 118.68 120.46 1bwm s LEU 373 Ca 0.14 -1.11 -0.03 0.00 0.02 0.00 0.00 54.13 53.15 1bwm s LEU 373 Cb -0.05 -1.49 -0.03 0.00 0.02 0.00 0.00 46.19 44.64 1bwm s LEU 373 CO 0.08 -0.13 -0.03 -0.94 0.02 0.00 0.00 176.35 175.36 1bwm s SER 374 N 1.19 4.89 0.25 2.29 1.04 -1.06 -1.15 113.70 121.14 1bwm s SER 374 Ca -0.04 -0.07 0.11 0.00 0.48 0.00 0.00 55.95 56.43 1bwm s SER 374 Cb -0.17 -1.69 -0.05 0.00 0.10 0.00 0.00 66.02 64.21 1bwm s SER 374 CO -0.08 0.22 -0.16 -0.22 0.98 0.00 0.00 173.24 173.97 1bwm s LEU 375 N 0.08 2.70 0.25 2.42 0.20 -0.64 0.12 118.68 123.80 1bwm s LEU 375 Ca 0.00 -0.87 0.10 0.00 0.69 0.00 0.00 54.13 54.05 1bwm s LEU 375 Cb -0.13 -1.29 -0.05 0.00 -0.43 0.00 0.00 46.19 44.29 1bwm s LEU 375 CO 0.03 0.06 -0.10 -1.00 -0.29 0.00 0.00 176.35 175.04 1bwm s HIS 376 N -2.19 2.52 -0.30 5.38 3.76 -0.14 -2.12 115.29 122.21 1bwm s HIS 376 Ca 0.27 -0.27 -0.00 0.00 -0.15 0.00 0.00 55.06 54.91 1bwm s HIS 376 Cb -0.06 -1.14 0.19 0.00 1.11 0.00 0.00 32.58 32.68 1bwm s HIS 376 CO 0.15 0.63 0.59 -1.50 -0.85 0.00 0.00 174.74 173.76 1bwm s ILE 377 N -2.23 -0.99 0.36 0.60 1.10 -0.89 -2.87 121.20 116.27 1bwm s ILE 377 Ca 0.29 -0.00 0.08 0.00 -0.51 0.00 0.00 60.65 60.51 1bwm s ILE 377 Cb -0.06 -1.00 -0.05 0.00 0.15 0.00 0.00 42.46 41.50 1bwm s ILE 377 CO 0.17 -0.00 0.08 0.28 -2.11 0.00 0.00 174.94 173.36 1bwm s THR 378 N 2.85 2.66 -1.50 4.00 -1.32 -1.26 -1.73 115.64 119.34 1bwm s THR 378 Ca 0.20 -1.84 -0.10 0.00 -1.21 0.00 0.00 61.69 58.74 1bwm s THR 378 Cb -0.15 -2.89 0.07 0.00 -1.51 0.00 0.00 72.50 68.02 1bwm s THR 378 CO -0.21 -0.15 0.85 -0.67 -2.21 0.00 0.00 174.62 172.22 1bwm n ASP 379 N -1.07 -3.43 -4.33 8.08 -0.08 -1.24 -4.95 116.55 109.53 1bwm n ASP 379 Ca -0.03 -0.84 -0.30 0.00 -1.51 0.00 0.00 54.79 52.11 1bwm n ASP 379 Cb 0.63 -3.68 0.17 0.00 2.34 0.00 0.00 41.12 40.58 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 -3.62 3.06 0.52 1.67 1.04 -1.26 -4.98 113.70 110.12 1bwm s SER 380 Ca 0.48 0.55 0.07 0.00 0.48 0.00 0.00 55.95 57.53 1bwm s SER 380 Cb -0.24 -0.80 0.03 0.00 0.10 0.00 0.00 66.02 65.10 1bwm s SER 380 CO 0.85 -2.79 0.46 -1.10 0.98 0.00 0.00 173.24 171.63 1bwm s GLN 381 N -5.64 2.33 0.64 4.02 1.11 -1.26 -3.93 119.66 116.93 1bwm s GLN 381 Ca 0.69 -1.84 -0.18 0.00 0.01 0.00 0.00 55.36 54.04 1bwm s GLN 381 Cb -0.08 -2.25 -0.01 0.00 -1.01 0.00 0.00 33.01 29.65 1bwm s GLN 381 CO 0.53 -0.55 1.29 -2.30 0.01 0.00 0.00 175.29 174.28 1bwm n PRO 382 N -1.78 1.16 -0.01 2.91 -0.01 -1.26 -4.69 135.00 131.32 1bwm n PRO 382 Ca 0.03 0.45 -0.01 0.00 -0.01 0.00 0.00 63.50 63.96 1bwm n PRO 382 Cb 0.63 -2.53 -0.02 0.00 -0.01 0.00 0.00 33.50 31.57 1bwm n PRO 382 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 1bwm n GLY 383 N 0.92 -0.10 3.85 -1.23 0.00 -1.26 -5.02 105.19 102.34 1bwm n GLY 383 Ca 0.15 -0.04 -0.26 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.05 -2.28 -1.97 1.61 8.00 -1.26 -3.99 116.55 114.60 1bwm n ASP 384 Ca -0.03 -0.85 -0.01 0.00 0.71 0.00 0.00 54.79 54.61 1bwm n ASP 384 Cb 0.54 -3.74 -0.01 0.00 -0.02 0.00 0.00 41.12 37.89 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 -3.12 -3.87 -2.24 2.88 -1.26 -4.99 113.62 98.07 1bwm n SER 385 Ca -0.17 0.57 -0.12 0.00 -1.33 0.00 0.00 58.87 57.82 1bwm n SER 385 Cb 0.62 -2.75 -0.14 0.00 -0.75 0.00 0.00 64.21 61.19 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 -0.50 -0.00 -0.15 -1.46 0.00 -0.96 -4.67 121.76 114.01 1bwm s ALA 386 Ca -0.05 -0.02 -0.03 0.00 0.00 0.00 0.00 51.96 51.87 1bwm s ALA 386 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 23.12 23.10 1bwm s ALA 386 CO 0.32 -0.01 -0.07 0.95 0.00 0.00 0.00 175.76 176.95 1bwm s THR 387 N -0.06 3.60 0.17 0.00 -4.23 -0.63 -1.51 115.64 112.98 1bwm s THR 387 Ca -0.01 -0.46 -0.05 0.00 -1.18 0.00 0.00 61.69 59.99 1bwm s THR 387 Cb -0.00 -2.56 -0.06 0.00 1.34 0.00 0.00 72.50 71.22 1bwm s THR 387 CO -0.00 0.50 0.41 -0.31 -0.54 0.00 0.00 174.62 174.68 1bwm s TYR 388 N 0.39 3.47 0.00 3.99 1.51 0.01 0.74 117.35 127.47 1bwm s TYR 388 Ca -0.06 0.57 0.06 0.00 -1.01 0.00 0.00 57.07 56.63 1bwm s TYR 388 Cb -0.15 -2.02 -0.02 0.00 -0.11 0.00 0.00 41.96 39.66 1bwm s TYR 388 CO 0.04 0.38 -0.19 0.12 -1.11 0.00 0.00 175.55 174.79 1bwm s PHE 389 N -1.74 1.70 -0.21 2.71 2.19 -0.52 -0.34 117.98 121.77 1bwm s PHE 389 Ca 0.42 -0.33 -0.02 0.00 0.33 0.00 0.00 56.93 57.33 1bwm s PHE 389 Cb -0.12 -1.07 0.06 0.00 -1.31 0.00 0.00 43.02 40.58 1bwm s PHE 389 CO 0.25 0.00 0.01 0.00 1.83 0.00 0.00 175.22 177.31 1bwm n ALA 391 N 4.93 0.45 -2.90 0.00 0.00 -1.26 -2.65 120.51 119.08 1bwm n ALA 391 Ca -0.10 -1.95 -0.11 0.00 0.00 0.00 0.00 53.44 51.28 1bwm n ALA 391 Cb 0.46 1.19 -0.13 0.00 0.00 0.00 0.00 19.45 20.96 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 -2.89 0.01 0.32 0.00 0.00 -0.66 -3.90 121.76 114.64 1bwm s ALA 392 Ca 0.09 -0.11 0.09 0.00 0.00 0.00 0.00 51.96 52.03 1bwm s ALA 392 Cb 0.00 0.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.10 1bwm s ALA 392 CO 0.07 -0.04 0.07 -0.08 0.00 0.00 0.00 175.76 175.78 1bwm s THR 393 N -0.33 3.07 0.00 0.00 -1.32 -1.08 -0.27 115.64 115.72 1bwm s THR 393 Ca -0.04 -1.81 0.00 0.00 -1.21 0.00 0.00 61.69 58.63 1bwm s THR 393 Cb -0.02 -2.90 0.00 0.00 -1.51 0.00 0.00 72.50 68.06 1bwm s THR 393 CO -0.00 -0.24 0.00 0.61 -2.21 0.00 0.00 174.62 172.78 1bwm n GLY 399 N -1.03 2.72 0.00 6.08 0.00 -1.26 0.26 105.19 111.96 1bwm n GLY 399 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.59 1.61 7.64 -1.22 -4.30 113.62 116.76 1bwm n SER 400 Ca 0.00 0.71 0.06 0.00 1.01 0.00 0.00 58.87 60.65 1bwm n SER 400 Cb 0.00 -0.23 0.21 0.00 -1.01 0.00 0.00 64.21 63.18 1bwm n SER 400 CO 0.00 0.00 0.00 2.22 -3.01 0.00 0.00 175.04 174.25 1bwm n PHE 401 N -1.18 0.00 -2.63 1.43 -1.74 -1.26 -4.97 117.46 107.11 1bwm n PHE 401 Ca 0.00 -1.48 -0.09 0.00 -0.56 0.00 0.00 57.45 55.31 1bwm n PHE 401 Cb 0.00 -0.25 0.04 0.00 1.52 0.00 0.00 39.48 40.80 1bwm n PHE 401 CO 0.00 0.00 0.00 -1.71 -0.56 0.00 0.00 176.76 174.49 1bwm n ASN 402 N -1.12 -5.02 0.00 5.98 5.15 -1.26 -4.95 115.26 114.03 1bwm n ASN 402 Ca 0.19 -0.45 0.00 0.00 -0.60 0.00 0.00 54.58 53.72 1bwm n ASN 402 Cb 0.69 -3.55 0.00 0.00 -0.53 0.00 0.00 39.78 36.39 1bwm n ASN 402 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1bwm n LYS 403 N -2.59 0.00 0.00 1.20 5.02 -1.26 -5.00 118.16 115.53 1bwm n LYS 403 Ca -0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 1bwm n LYS 403 Cb 0.58 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.59 1bwm n LYS 403 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1bwm n LEU 404 N 0.00 0.00 -4.63 -0.35 4.77 -1.26 -4.71 117.00 110.82 1bwm n LEU 404 Ca 0.00 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.55 1bwm n LEU 404 Cb 0.00 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 1bwm n LEU 404 CO 0.00 0.00 1.34 -0.89 -1.33 0.00 0.00 177.39 176.51 1bwm s THR 405 N 0.00 3.75 0.58 -5.08 2.01 0.63 -4.75 115.64 112.77 1bwm s THR 405 Ca 0.00 0.84 -0.12 0.00 0.31 0.00 0.00 61.69 62.72 1bwm s THR 405 Cb 0.00 -3.76 -0.05 0.00 0.01 0.00 0.00 72.50 68.70 1bwm s THR 405 CO 0.00 -0.32 1.00 -0.36 -0.69 0.00 0.00 174.62 174.26 1bwm s PHE 406 N 5.10 3.57 -0.58 4.92 0.40 -1.26 -1.65 117.98 128.49 1bwm s PHE 406 Ca 0.70 1.32 0.01 0.00 -0.60 0.00 0.00 56.93 58.36 1bwm s PHE 406 Cb -0.24 -2.72 0.43 0.00 0.51 0.00 0.00 43.02 41.00 1bwm s PHE 406 CO 0.28 -0.57 1.70 0.41 0.70 0.00 0.00 175.22 177.74 1bwm n GLY 407 N -2.36 5.96 2.19 4.36 0.00 -1.08 -4.43 105.19 109.83 1bwm n GLY 407 Ca 0.06 -2.50 -0.15 0.00 0.00 0.00 0.00 46.02 43.43 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 -0.73 -0.27 -1.36 4.61 0.00 -1.23 -4.10 120.51 117.43 1bwm n ALA 408 Ca 0.53 0.24 0.17 0.00 0.00 0.00 0.00 53.44 54.37 1bwm n ALA 408 Cb 0.66 -1.58 -0.06 0.00 0.00 0.00 0.00 19.45 18.46 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 -0.33 -2.37 2.72 0.00 0.00 -1.26 -4.39 105.19 99.55 1bwm n GLY 409 Ca -0.15 -0.95 -0.18 0.00 0.00 0.00 0.00 46.02 44.73 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 -3.30 -0.07 -0.03 2.61 2.01 0.54 -4.85 115.64 112.55 1bwm s THR 410 Ca 0.00 0.32 -0.25 0.00 0.31 0.00 0.00 61.69 62.07 1bwm s THR 410 Cb 0.00 -0.13 -0.04 0.00 0.01 0.00 0.00 72.50 72.34 1bwm s THR 410 CO 0.00 0.14 0.76 -0.60 -0.69 0.00 0.00 174.62 174.23 1bwm s ARG 411 N 1.66 4.47 -0.27 4.92 6.06 -1.26 -0.81 118.95 133.71 1bwm s ARG 411 Ca -0.02 1.00 -0.00 0.00 -2.50 0.00 0.00 55.73 54.22 1bwm s ARG 411 Cb -0.12 -3.43 0.08 0.00 0.06 0.00 0.00 34.95 31.53 1bwm s ARG 411 CO -0.03 0.09 0.03 -0.51 -2.50 0.00 0.00 175.30 172.38 1bwm s LEU 412 N 0.66 2.49 -0.07 -0.88 2.01 -0.57 -1.55 118.68 120.77 1bwm s LEU 412 Ca 0.40 -1.42 -0.16 0.00 0.01 0.00 0.00 54.13 52.96 1bwm s LEU 412 Cb -0.19 -1.02 -0.05 0.00 0.01 0.00 0.00 46.19 44.94 1bwm s LEU 412 CO 0.21 -0.33 0.42 0.00 1.01 0.00 0.00 176.35 177.66 1bwm s ALA 413 N 1.49 3.59 -0.17 4.21 0.00 -1.07 -2.28 121.76 127.54 1bwm s ALA 413 Ca 0.03 -0.23 -0.18 0.00 0.00 0.00 0.00 51.96 51.58 1bwm s ALA 413 Cb -0.18 -2.50 -0.04 0.00 0.00 0.00 0.00 23.12 20.41 1bwm s ALA 413 CO -0.14 0.23 0.48 0.08 0.00 0.00 0.00 175.76 176.41 1bwm s VAL 414 N -0.19 5.15 0.52 0.00 1.01 -1.26 -0.11 120.40 125.53 1bwm s VAL 414 Ca 0.24 0.90 0.00 0.00 0.00 0.00 0.00 61.98 63.12 1bwm s VAL 414 Cb -0.16 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.42 1bwm s VAL 414 CO 0.11 0.25 0.00 -1.54 0.00 0.00 0.00 175.10 173.91 1bwm n SER 415 N 4.33 -7.95 -4.63 3.32 3.41 0.27 -4.56 113.62 107.81 1bwm n SER 415 Ca -0.06 1.17 -0.43 0.00 -0.26 0.00 0.00 58.87 59.29 1bwm n SER 415 Cb 0.51 -4.70 -0.03 0.00 -0.26 0.00 0.00 64.21 59.73 1bwm n SER 415 CO 0.00 0.00 0.00 -2.84 -0.16 0.00 0.00 175.04 172.04 1bwm s PRO 416 N -3.77 3.68 0.00 4.33 0.02 -1.26 -4.81 135.00 133.20 1bwm s PRO 416 Ca 0.00 2.23 0.00 0.00 0.02 0.00 0.00 61.00 63.25 1bwm s PRO 416 Cb 0.00 -4.23 0.00 0.00 0.02 0.00 0.00 34.50 30.29 1bwm s PRO 416 CO 0.00 -1.47 0.00 0.66 -0.33 0.00 0.00 177.00 175.86