#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bmw s VAL 10 N 0.00 3.40 0.33 5.18 1.01 -1.26 -4.96 120.40 124.11 2bmw s VAL 10 Ca 0.00 0.58 -0.29 0.00 0.00 0.00 0.00 61.98 62.28 2bmw s VAL 10 Cb 0.00 -3.38 -0.10 0.00 0.00 0.00 0.00 36.38 32.90 2bmw s VAL 10 CO 0.00 -0.04 1.31 -2.16 0.00 0.00 0.00 175.10 174.21 2bmw s PRO 11 N 3.73 4.34 -0.27 2.72 0.04 -1.26 -5.02 135.00 139.28 2bmw s PRO 11 Ca 0.75 2.22 -0.18 0.00 0.04 0.00 0.00 61.00 63.82 2bmw s PRO 11 Cb -0.36 -3.06 0.07 0.00 0.04 0.00 0.00 34.50 31.20 2bmw s PRO 11 CO 0.32 -0.20 0.67 0.54 0.04 0.00 0.00 177.00 178.37 2bmw s VAL 12 N -1.14 -0.00 -1.30 -0.36 0.11 -1.26 -4.72 120.40 111.72 2bmw s VAL 12 Ca 0.49 0.01 -0.08 0.00 -2.93 0.00 0.00 61.98 59.46 2bmw s VAL 12 Cb -0.40 -0.96 -0.00 0.00 -1.53 0.00 0.00 36.38 33.49 2bmw s VAL 12 CO 0.53 0.00 0.57 0.59 -3.33 0.00 0.00 175.10 173.47 2bmw n ASN 13 N 3.74 -2.18 0.21 3.54 3.02 0.30 -4.81 115.26 119.08 2bmw n ASN 13 Ca -0.18 -1.01 0.09 0.00 -0.03 0.00 0.00 54.58 53.46 2bmw n ASN 13 Cb 0.57 -3.20 0.32 0.00 -0.61 0.00 0.00 39.78 36.86 2bmw n ASN 13 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2bmw h LEU 14 N -1.89 0.00 -7.91 3.41 3.38 -0.99 -3.43 115.31 107.88 2bmw h LEU 14 Ca -0.64 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.00 2bmw h LEU 14 Cb 1.37 0.00 -0.28 0.00 0.09 0.00 0.00 40.66 41.84 2bmw h LEU 14 CO 0.57 0.23 -0.75 -0.31 0.09 0.00 0.00 178.44 178.26 2bmw s TYR 15 N -3.39 0.48 0.29 1.13 2.02 -0.90 -4.99 117.35 111.99 2bmw s TYR 15 Ca 0.03 -0.09 0.08 0.00 -0.37 0.00 0.00 57.07 56.71 2bmw s TYR 15 Cb 0.08 -0.31 -0.06 0.00 -0.40 0.00 0.00 41.96 41.28 2bmw s TYR 15 CO 0.66 -0.01 -0.09 1.03 -1.57 0.00 0.00 175.55 175.57 2bmw s ARG 16 N -0.13 1.60 0.42 -0.62 0.52 -1.25 -0.95 118.95 118.53 2bmw s ARG 16 Ca 0.02 -1.80 0.20 0.00 -0.52 0.00 0.00 55.73 53.63 2bmw s ARG 16 Cb -0.02 -1.33 1.15 0.00 0.52 0.00 0.00 34.95 35.27 2bmw s ARG 16 CO -0.00 0.10 1.79 -1.35 0.02 0.00 0.00 175.30 175.86 2bmw h PRO 17 N 2.25 0.34 0.00 3.54 0.11 -1.99 -0.87 132.00 135.38 2bmw h PRO 17 Ca -0.40 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.69 2bmw h PRO 17 Cb 1.24 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 2bmw h PRO 17 CO 0.67 0.22 -0.00 -2.95 -0.21 0.00 0.00 178.00 175.73 2bmw h ASN 18 N 0.35 0.00 -0.91 -2.05 -1.07 -2.01 -3.35 115.58 106.54 2bmw h ASN 18 Ca 0.57 0.00 -0.36 0.00 0.07 0.00 0.00 56.30 56.58 2bmw h ASN 18 Cb 1.53 0.00 -0.24 0.00 -2.07 0.00 0.00 38.32 37.54 2bmw h ASN 18 CO -0.24 0.00 -0.74 0.00 0.07 0.00 0.00 177.43 176.52 2bmw n ALA 19 N -2.09 0.16 -1.11 4.14 0.00 -0.41 -5.15 120.51 116.05 2bmw n ALA 19 Ca 0.01 -2.19 -0.30 0.00 0.00 0.00 0.00 53.44 50.96 2bmw n ALA 19 Cb 0.34 -1.13 0.14 0.00 0.00 0.00 0.00 19.45 18.81 2bmw n ALA 19 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2bmw s PRO 20 N -0.01 1.22 0.02 0.00 0.04 -0.74 -3.95 135.00 131.58 2bmw s PRO 20 Ca 0.33 0.95 -0.24 0.00 0.04 0.00 0.00 61.00 62.08 2bmw s PRO 20 Cb 0.18 -1.79 -0.05 0.00 0.04 0.00 0.00 34.50 32.88 2bmw s PRO 20 CO -0.18 -2.30 0.71 0.12 0.04 0.00 0.00 177.00 175.39 2bmw s PHE 21 N -2.86 3.71 -0.55 0.56 5.36 0.10 -4.84 117.98 119.45 2bmw s PHE 21 Ca 0.64 1.38 -0.17 0.00 -0.96 0.00 0.00 56.93 57.81 2bmw s PHE 21 Cb -0.19 -2.76 0.11 0.00 -0.34 0.00 0.00 43.02 39.84 2bmw s PHE 21 CO 0.57 0.28 0.58 0.42 -1.46 0.00 0.00 175.22 175.61 2bmw s ILE 22 N -0.04 5.04 0.41 3.12 -1.09 -1.26 -0.67 121.20 126.71 2bmw s ILE 22 Ca 0.36 -1.20 0.06 0.00 -2.23 0.00 0.00 60.65 57.65 2bmw s ILE 22 Cb -0.20 -4.37 0.01 0.00 -1.58 0.00 0.00 42.46 36.32 2bmw s ILE 22 CO 0.21 -0.94 0.57 -0.83 -1.23 0.00 0.00 174.94 172.73 2bmw s GLY 23 N 3.45 1.80 -0.05 6.18 0.00 -0.25 -4.86 107.32 113.60 2bmw s GLY 23 Ca 0.07 -1.52 0.05 0.00 0.00 0.00 0.00 44.72 43.32 2bmw s GLY 23 CO 0.05 -1.36 -0.21 0.54 0.00 0.00 0.00 173.10 172.12 2bmw s LYS 24 N -4.36 2.46 0.09 2.90 1.02 -1.23 -0.28 119.74 120.34 2bmw s LYS 24 Ca 0.52 -0.82 -0.31 0.00 0.02 0.00 0.00 55.97 55.38 2bmw s LYS 24 Cb -0.10 -2.23 -0.07 0.00 -0.52 0.00 0.00 37.83 34.91 2bmw s LYS 24 CO 0.33 0.51 1.30 0.08 -0.92 0.00 0.00 175.35 176.66 2bmw s VAL 25 N -0.47 3.63 -0.24 3.17 1.01 0.09 -0.27 120.40 127.33 2bmw s VAL 25 Ca 0.06 1.17 -0.11 0.00 0.00 0.00 0.00 61.98 63.10 2bmw s VAL 25 Cb -0.12 -3.75 -0.17 0.00 0.00 0.00 0.00 36.38 32.35 2bmw s VAL 25 CO 0.01 0.09 -0.09 -0.38 0.00 0.00 0.00 175.10 174.73 2bmw n ILE 26 N 3.94 1.56 -3.70 2.22 5.41 0.65 -0.23 119.36 129.22 2bmw n ILE 26 Ca 0.10 -0.40 -0.11 0.00 1.00 0.00 0.00 62.75 63.34 2bmw n ILE 26 Cb 0.44 -1.78 -0.06 0.00 -0.71 0.00 0.00 39.64 37.53 2bmw n ILE 26 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 2bmw s SER 27 N -7.05 -0.19 -0.26 4.38 1.04 -1.15 -4.75 113.70 105.72 2bmw s SER 27 Ca -0.33 -0.20 -0.02 0.00 0.48 0.00 0.00 55.95 55.87 2bmw s SER 27 Cb 0.10 0.41 0.11 0.00 0.10 0.00 0.00 66.02 66.75 2bmw s SER 27 CO 0.58 -0.71 0.23 0.21 0.98 0.00 0.00 173.24 174.53 2bmw s ASN 28 N -2.32 2.04 0.06 7.02 3.84 -1.26 -1.30 114.94 123.02 2bmw s ASN 28 Ca -0.02 -0.72 0.09 0.00 0.21 0.00 0.00 52.86 52.43 2bmw s ASN 28 Cb 0.00 0.25 -0.03 0.00 -0.55 0.00 0.00 41.25 40.92 2bmw s ASN 28 CO -0.06 -0.38 -0.26 -1.61 -2.79 0.00 0.00 177.10 172.00 2bmw s GLU 29 N 2.28 1.71 0.25 0.43 0.41 -0.39 -4.95 118.70 118.44 2bmw s GLU 29 Ca 0.08 -1.13 -0.30 0.00 -0.41 0.00 0.00 54.97 53.21 2bmw s GLU 29 Cb -0.15 -1.93 -0.09 0.00 -1.78 0.00 0.00 34.13 30.19 2bmw s GLU 29 CO -0.27 0.49 1.13 -1.25 -0.49 0.00 0.00 175.26 174.87 2bmw s PRO 30 N -1.36 4.59 -0.04 0.39 0.04 -1.26 -0.34 135.00 137.02 2bmw s PRO 30 Ca 0.12 1.83 0.14 0.00 0.04 0.00 0.00 61.00 63.12 2bmw s PRO 30 Cb -0.10 -3.21 -0.21 0.00 0.04 0.00 0.00 34.50 31.03 2bmw s PRO 30 CO 0.03 0.11 0.26 1.28 0.04 0.00 0.00 177.00 178.72 2bmw n LEU 31 N 1.61 0.00 -4.60 -3.56 4.77 0.10 -4.86 117.00 110.47 2bmw n LEU 31 Ca 0.01 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.57 2bmw n LEU 31 Cb 0.45 0.05 -0.06 0.00 -2.33 0.00 0.00 43.42 41.54 2bmw n LEU 31 CO 0.55 0.05 0.50 -0.69 -1.33 0.00 0.00 177.39 176.47 2bmw s VAL 32 N -2.86 4.83 0.84 4.08 1.01 -1.24 -4.69 120.40 122.38 2bmw s VAL 32 Ca -0.05 0.93 -0.12 0.00 0.00 0.00 0.00 61.98 62.73 2bmw s VAL 32 Cb 0.08 -4.11 0.10 0.00 0.00 0.00 0.00 36.38 32.45 2bmw s VAL 32 CO 0.57 -0.27 1.17 -0.54 0.00 0.00 0.00 175.10 176.03 2bmw s LYS 33 N 2.86 1.70 0.16 2.72 1.02 -0.74 -4.88 119.74 122.58 2bmw s LYS 33 Ca 0.29 0.15 -0.33 0.00 0.02 0.00 0.00 55.97 56.09 2bmw s LYS 33 Cb -0.14 -1.92 -0.16 0.00 -0.52 0.00 0.00 37.83 35.09 2bmw s LYS 33 CO 0.14 -1.79 1.22 -0.85 -0.92 0.00 0.00 175.35 173.15 2bmw n GLU 34 N -3.46 1.23 -0.43 1.68 0.28 -1.26 -1.46 120.64 117.23 2bmw n GLU 34 Ca 0.08 0.44 0.00 0.00 -0.16 0.00 0.00 57.16 57.52 2bmw n GLU 34 Cb 0.60 -1.98 0.00 0.00 1.43 0.00 0.00 31.44 31.50 2bmw n GLU 34 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2bmw n GLY 35 N 2.14 0.88 3.94 -1.84 0.00 -1.26 -4.79 105.19 104.26 2bmw n GLY 35 Ca 0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 2bmw n GLY 35 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2bmw s GLY 36 N -1.59 1.71 -0.22 -0.02 0.00 -0.53 -4.87 107.32 101.80 2bmw s GLY 36 Ca 0.00 -1.01 -0.07 0.00 0.00 0.00 0.00 44.72 43.63 2bmw s GLY 36 CO 0.00 -0.61 0.07 -0.42 0.00 0.00 0.00 173.10 172.15 2bmw s ILE 37 N -3.20 4.60 0.00 0.90 1.01 -1.26 -5.01 121.20 118.24 2bmw s ILE 37 Ca 0.60 -0.09 0.00 0.00 0.00 0.00 0.00 60.65 61.17 2bmw s ILE 37 Cb -0.10 -3.11 0.00 0.00 0.01 0.00 0.00 42.46 39.26 2bmw s ILE 37 CO 0.44 0.39 0.00 0.61 0.00 0.00 0.00 174.94 176.39 2bmw n GLY 38 N 4.22 -2.66 3.05 6.18 0.00 -1.26 -4.94 105.19 109.78 2bmw n GLY 38 Ca -0.16 -1.67 -0.28 0.00 0.00 0.00 0.00 46.02 43.91 2bmw n GLY 38 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bmw s ILE 39 N -0.80 1.42 -0.06 -0.61 1.01 -1.26 -4.87 121.20 116.02 2bmw s ILE 39 Ca 0.00 -0.61 -0.01 0.00 0.00 0.00 0.00 60.65 60.03 2bmw s ILE 39 Cb 0.00 -1.30 0.03 0.00 0.01 0.00 0.00 42.46 41.20 2bmw s ILE 39 CO 0.00 0.42 -0.01 -0.69 0.00 0.00 0.00 174.94 174.67 2bmw s VAL 40 N 0.88 0.36 0.03 2.92 1.01 -1.26 -0.77 120.40 123.57 2bmw s VAL 40 Ca -0.09 0.08 0.06 0.00 0.00 0.00 0.00 61.98 62.03 2bmw s VAL 40 Cb -0.15 -0.49 -0.03 0.00 0.00 0.00 0.00 36.38 35.71 2bmw s VAL 40 CO 0.01 0.23 -0.15 -1.10 0.00 0.00 0.00 175.10 174.09 2bmw s GLN 41 N 1.64 2.19 -0.32 2.72 -1.52 0.35 -0.72 119.66 123.99 2bmw s GLN 41 Ca -0.00 -0.92 -0.13 0.00 -1.95 0.00 0.00 55.36 52.36 2bmw s GLN 41 Cb -0.13 -2.27 -0.03 0.00 -0.22 0.00 0.00 33.01 30.37 2bmw s GLN 41 CO -0.04 0.55 0.27 -1.58 -0.25 0.00 0.00 175.29 174.25 2bmw s HIS 42 N -0.94 3.22 -0.13 0.91 5.65 0.53 -0.91 115.29 123.62 2bmw s HIS 42 Ca 0.15 -0.04 0.02 0.00 0.25 0.00 0.00 55.06 55.44 2bmw s HIS 42 Cb -0.11 -2.51 0.00 0.00 -1.18 0.00 0.00 32.58 28.79 2bmw s HIS 42 CO 0.06 -0.32 -0.20 0.42 -0.65 0.00 0.00 174.74 174.04 2bmw s ILE 43 N 1.83 2.27 -0.12 0.89 1.01 -0.21 -1.26 121.20 125.61 2bmw s ILE 43 Ca 0.08 -0.92 -0.01 0.00 0.00 0.00 0.00 60.65 59.81 2bmw s ILE 43 Cb -0.17 -1.91 -0.02 0.00 0.01 0.00 0.00 42.46 40.36 2bmw s ILE 43 CO 0.11 0.54 -0.08 -0.75 0.00 0.00 0.00 174.94 174.76 2bmw s LYS 44 N 0.68 3.26 0.08 2.79 2.20 -0.42 -0.53 119.74 127.79 2bmw s LYS 44 Ca -0.10 -0.59 0.08 0.00 -0.36 0.00 0.00 55.97 55.01 2bmw s LYS 44 Cb -0.16 -2.71 -0.04 0.00 -1.51 0.00 0.00 37.83 33.42 2bmw s LYS 44 CO 0.02 0.38 -0.20 -0.06 -0.36 0.00 0.00 175.35 175.12 2bmw s PHE 45 N -0.04 2.49 -0.12 4.03 0.40 0.60 -0.25 117.98 125.10 2bmw s PHE 45 Ca -0.01 -0.29 -0.24 0.00 -0.60 0.00 0.00 56.93 55.79 2bmw s PHE 45 Cb -0.14 -1.39 -0.03 0.00 0.51 0.00 0.00 43.02 41.98 2bmw s PHE 45 CO 0.03 0.29 0.77 0.34 0.70 0.00 0.00 175.22 177.35 2bmw s ASP 46 N -1.72 6.97 0.00 1.36 -1.08 0.63 -2.00 116.67 120.83 2bmw s ASP 46 Ca 0.15 1.18 0.21 0.00 -0.52 0.00 0.00 52.55 53.58 2bmw s ASP 46 Cb -0.10 -2.43 0.06 0.00 -1.46 0.00 0.00 42.92 38.98 2bmw s ASP 46 CO 0.07 -0.26 1.09 0.18 0.52 0.00 0.00 175.17 176.77 2bmw n LEU 47 N 4.51 2.27 -4.77 -1.34 4.77 0.17 -3.49 117.00 119.12 2bmw n LEU 47 Ca 0.02 -0.85 -0.40 0.00 -0.03 0.00 0.00 56.01 54.74 2bmw n LEU 47 Cb 0.50 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.61 2bmw n LEU 47 CO 0.48 0.41 1.09 0.42 -1.33 0.00 0.00 177.39 178.46 2bmw s THR 48 N -2.14 2.00 0.00 -5.08 -4.23 -1.25 -2.30 115.64 102.65 2bmw s THR 48 Ca 0.20 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.72 2bmw s THR 48 Cb 0.17 -3.00 0.00 0.00 1.34 0.00 0.00 72.50 71.01 2bmw s THR 48 CO 0.43 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.12 2bmw n GLY 49 N 0.54 0.27 3.33 3.99 0.00 -1.26 -5.01 105.19 107.06 2bmw n GLY 49 Ca 0.04 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.86 2bmw n GLY 49 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2bmw s GLY 50 N -1.71 2.30 -0.24 -0.02 0.00 -0.97 -5.07 107.32 101.60 2bmw s GLY 50 Ca 0.00 -1.83 0.11 0.00 0.00 0.00 0.00 44.72 42.99 2bmw s GLY 50 CO 0.00 -1.55 1.33 1.16 0.00 0.00 0.00 173.10 174.04 2bmw n ASN 51 N -1.34 2.13 -4.68 1.64 6.94 -1.26 -5.02 115.26 113.66 2bmw n ASN 51 Ca 0.04 -3.79 -0.42 0.00 -0.02 0.00 0.00 54.58 50.38 2bmw n ASN 51 Cb 0.63 -0.57 -0.03 0.00 -2.36 0.00 0.00 39.78 37.45 2bmw n ASN 51 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 2bmw s LEU 52 N -3.22 4.30 0.15 -4.53 0.20 -1.26 -4.99 118.68 109.32 2bmw s LEU 52 Ca 0.41 2.11 0.06 0.00 0.69 0.00 0.00 54.13 57.39 2bmw s LEU 52 Cb 0.38 -3.55 -0.04 0.00 -0.43 0.00 0.00 46.19 42.55 2bmw s LEU 52 CO -0.03 -0.80 -0.13 -0.54 -0.29 0.00 0.00 176.35 174.56 2bmw s LYS 53 N 3.06 1.10 0.26 1.98 1.02 -1.26 -5.05 119.74 120.85 2bmw s LYS 53 Ca 0.66 -1.36 -0.21 0.00 0.02 0.00 0.00 55.97 55.07 2bmw s LYS 53 Cb -0.31 -0.91 0.03 0.00 -0.52 0.00 0.00 37.83 36.13 2bmw s LYS 53 CO 0.26 0.16 0.77 1.52 -0.92 0.00 0.00 175.35 177.14 2bmw s TYR 54 N -2.55 -0.15 0.29 3.18 1.13 -1.26 -4.45 117.35 113.54 2bmw s TYR 54 Ca 0.13 -0.30 0.02 0.00 -1.41 0.00 0.00 57.07 55.52 2bmw s TYR 54 Cb -0.03 0.71 -0.05 0.00 -1.10 0.00 0.00 41.96 41.49 2bmw s TYR 54 CO 0.03 -1.18 0.09 0.96 -2.51 0.00 0.00 175.55 172.94 2bmw s ILE 55 N -3.66 0.77 0.28 -3.49 -4.36 -1.26 -4.38 121.20 105.10 2bmw s ILE 55 Ca 0.12 -2.00 -0.30 0.00 -0.26 0.00 0.00 60.65 58.20 2bmw s ILE 55 Cb -0.05 -2.68 -0.12 0.00 1.25 0.00 0.00 42.46 40.86 2bmw s ILE 55 CO 0.06 0.00 1.54 -0.62 0.24 0.00 0.00 174.94 176.17 2bmw n GLU 56 N -0.56 2.52 0.00 0.37 4.71 -1.26 -2.79 120.64 123.63 2bmw n GLU 56 Ca -0.01 0.90 0.00 0.00 -0.01 0.00 0.00 57.16 58.04 2bmw n GLU 56 Cb 0.66 -2.64 0.00 0.00 -1.01 0.00 0.00 31.44 28.45 2bmw n GLU 56 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2bmw n GLY 57 N 2.11 0.86 3.94 0.62 0.00 -1.26 -4.26 105.19 107.21 2bmw n GLY 57 Ca 0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.85 2bmw n GLY 57 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2bmw s GLN 58 N -0.86 1.59 0.29 1.61 -0.21 -1.12 -4.49 119.66 116.47 2bmw s GLN 58 Ca 0.00 -0.49 0.05 0.00 0.02 0.00 0.00 55.36 54.94 2bmw s GLN 58 Cb 0.00 -2.10 -0.06 0.00 1.00 0.00 0.00 33.01 31.85 2bmw s GLN 58 CO 0.00 -1.66 -0.00 -1.12 -2.12 0.00 0.00 175.29 170.39 2bmw s SER 59 N -4.69 2.40 0.09 5.90 0.01 -0.14 -0.78 113.70 116.50 2bmw s SER 59 Ca 0.66 -1.27 0.02 0.00 1.31 0.00 0.00 55.95 56.67 2bmw s SER 59 Cb -0.07 -0.10 -0.04 0.00 0.21 0.00 0.00 66.02 66.02 2bmw s SER 59 CO 0.47 -0.48 -0.08 0.27 0.41 0.00 0.00 173.24 173.83 2bmw s ILE 60 N -3.21 0.72 0.04 1.44 -4.36 -0.36 -0.37 121.20 115.10 2bmw s ILE 60 Ca 0.32 -1.67 -0.01 0.00 -0.26 0.00 0.00 60.65 59.03 2bmw s ILE 60 Cb 0.06 -1.36 -0.04 0.00 1.25 0.00 0.00 42.46 42.37 2bmw s ILE 60 CO 0.12 -0.69 0.20 -0.83 0.24 0.00 0.00 174.94 173.99 2bmw s GLY 61 N -2.57 2.19 -0.10 6.27 0.00 0.26 -0.86 107.32 112.50 2bmw s GLY 61 Ca 0.05 -0.81 0.02 0.00 0.00 0.00 0.00 44.72 43.98 2bmw s GLY 61 CO -0.02 -0.75 -0.13 -0.42 0.00 0.00 0.00 173.10 171.77 2bmw s ILE 62 N -1.44 1.33 -0.41 0.90 -1.09 -0.27 -1.04 121.20 119.18 2bmw s ILE 62 Ca 0.32 -0.55 -0.12 0.00 -2.23 0.00 0.00 60.65 58.07 2bmw s ILE 62 Cb -0.13 -1.23 0.04 0.00 -1.58 0.00 0.00 42.46 39.56 2bmw s ILE 62 CO 0.25 0.41 0.27 -0.63 -1.23 0.00 0.00 174.94 174.00 2bmw s ILE 63 N 0.98 4.79 0.55 2.92 1.01 -0.84 -1.49 121.20 129.13 2bmw s ILE 63 Ca -0.08 -0.92 -0.17 0.00 0.00 0.00 0.00 60.65 59.48 2bmw s ILE 63 Cb -0.15 -3.74 -0.06 0.00 0.01 0.00 0.00 42.46 38.52 2bmw s ILE 63 CO -0.01 -0.35 1.04 -2.16 0.00 0.00 0.00 174.94 173.46 2bmw s PRO 64 N 1.58 3.57 0.83 2.79 0.04 -1.26 -4.40 135.00 138.15 2bmw s PRO 64 Ca 0.03 1.20 -0.12 0.00 0.04 0.00 0.00 61.00 62.15 2bmw s PRO 64 Cb -0.20 -2.07 0.09 0.00 0.04 0.00 0.00 34.50 32.35 2bmw s PRO 64 CO 0.07 -0.60 1.13 -1.25 0.04 0.00 0.00 177.00 176.39 2bmw s PRO 65 N -3.84 1.83 0.09 0.56 0.04 -1.26 -4.52 135.00 127.90 2bmw s PRO 65 Ca 0.64 0.34 0.00 0.00 0.04 0.00 0.00 61.00 62.02 2bmw s PRO 65 Cb -0.15 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.48 2bmw s PRO 65 CO 0.31 -1.73 0.00 0.41 0.04 0.00 0.00 177.00 176.03 2bmw n GLY 66 N -2.61 -3.20 3.41 0.56 0.00 -1.26 -4.84 105.19 97.26 2bmw n GLY 66 Ca 0.07 -1.88 -0.22 0.00 0.00 0.00 0.00 46.02 43.99 2bmw n GLY 66 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2bmw s VAL 67 N -0.77 2.14 0.54 1.61 -7.23 -1.26 -2.64 120.40 112.80 2bmw s VAL 67 Ca 0.00 -2.29 -0.08 0.00 -1.81 0.00 0.00 61.98 57.80 2bmw s VAL 67 Cb 0.00 -2.17 0.12 0.00 0.56 0.00 0.00 36.38 34.89 2bmw s VAL 67 CO 0.00 -0.47 0.74 -0.90 -0.31 0.00 0.00 175.10 174.16 2bmw n ASP 68 N -0.45 0.18 0.23 4.85 5.68 0.20 -4.85 116.55 122.39 2bmw n ASP 68 Ca -0.07 -1.34 0.16 0.00 -0.50 0.00 0.00 54.79 53.04 2bmw n ASP 68 Cb 0.60 -0.55 0.81 0.00 -1.14 0.00 0.00 41.12 40.83 2bmw n ASP 68 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 2bmw h LYS 69 N 0.00 0.00 -0.26 0.11 2.10 -2.02 -0.49 116.57 116.02 2bmw h LYS 69 Ca -0.24 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.41 2bmw h LYS 69 Cb 0.69 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.02 2bmw h LYS 69 CO 0.18 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.72 2bmw n ASN 70 N -2.64 2.55 0.00 7.07 3.02 -1.26 -4.94 115.26 119.06 2bmw n ASN 70 Ca -0.01 -1.85 0.00 0.00 -0.03 0.00 0.00 54.58 52.68 2bmw n ASN 70 Cb 0.11 -0.16 0.00 0.00 -0.61 0.00 0.00 39.78 39.12 2bmw n ASN 70 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2bmw n GLY 71 N 1.31 0.76 3.88 7.41 0.00 -0.19 -5.04 105.19 113.32 2bmw n GLY 71 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 2bmw n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bmw s LYS 72 N -0.06 3.65 0.40 1.61 -0.14 -1.26 -4.75 119.74 119.20 2bmw s LYS 72 Ca 0.00 -0.00 -0.25 0.00 -1.36 0.00 0.00 55.97 54.35 2bmw s LYS 72 Cb 0.00 -2.95 -0.11 0.00 -1.68 0.00 0.00 37.83 33.09 2bmw s LYS 72 CO 0.00 0.54 1.08 -2.30 -0.76 0.00 0.00 175.35 173.92 2bmw n PRO 73 N 0.60 1.53 -2.20 -1.68 -0.02 -1.26 -0.63 135.00 131.33 2bmw n PRO 73 Ca -0.06 0.54 -0.40 0.00 -2.02 0.00 0.00 63.50 61.57 2bmw n PRO 73 Cb 0.52 -2.11 -0.02 0.00 -0.02 0.00 0.00 33.50 31.87 2bmw n PRO 73 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2bmw s GLU 74 N -1.99 4.21 0.59 -0.52 0.41 -1.08 -4.72 118.70 115.59 2bmw s GLU 74 Ca 0.62 2.04 -0.04 0.00 -0.41 0.00 0.00 54.97 57.17 2bmw s GLU 74 Cb -0.56 -2.90 0.02 0.00 -1.78 0.00 0.00 34.13 28.91 2bmw s GLU 74 CO 0.58 -0.25 0.87 0.15 -0.49 0.00 0.00 175.26 176.12 2bmw s LYS 75 N -2.00 2.76 0.68 1.61 -0.14 -1.26 -4.70 119.74 116.68 2bmw s LYS 75 Ca 0.53 -0.22 -0.15 0.00 -1.36 0.00 0.00 55.97 54.76 2bmw s LYS 75 Cb -0.36 -2.32 0.01 0.00 -1.68 0.00 0.00 37.83 33.48 2bmw s LYS 75 CO 0.46 -0.74 1.14 -0.48 -0.76 0.00 0.00 175.35 174.97 2bmw s LEU 76 N -4.94 3.36 -0.03 3.17 0.05 -1.26 -4.51 118.68 114.52 2bmw s LEU 76 Ca 0.55 2.10 0.06 0.00 0.05 0.00 0.00 54.13 56.89 2bmw s LEU 76 Cb -0.10 -4.56 -0.01 0.00 -2.05 0.00 0.00 46.19 39.46 2bmw s LEU 76 CO 0.43 -1.83 -0.21 -0.13 -0.55 0.00 0.00 176.35 174.06 2bmw s ARG 77 N -4.05 1.84 0.15 1.48 3.00 -0.55 -4.91 118.95 115.90 2bmw s ARG 77 Ca 0.69 -0.76 -0.17 0.00 0.00 0.00 0.00 55.73 55.49 2bmw s ARG 77 Cb -0.23 -1.72 -0.07 0.00 0.00 0.00 0.00 34.95 32.93 2bmw s ARG 77 CO 0.43 0.42 0.59 -0.51 0.00 0.00 0.00 175.30 176.23 2bmw s LEU 78 N -0.38 4.38 -0.02 2.53 1.43 -1.26 -1.12 118.68 124.23 2bmw s LEU 78 Ca 0.05 1.20 0.01 0.00 -1.03 0.00 0.00 54.13 54.35 2bmw s LEU 78 Cb -0.09 -3.26 0.02 0.00 0.03 0.00 0.00 46.19 42.88 2bmw s LEU 78 CO 0.00 0.12 -0.02 -0.31 0.23 0.00 0.00 176.35 176.38 2bmw s TYR 79 N -1.40 0.38 0.36 0.29 2.02 -0.04 -4.97 117.35 113.98 2bmw s TYR 79 Ca 0.37 -0.05 -0.28 0.00 -0.37 0.00 0.00 57.07 56.74 2bmw s TYR 79 Cb -0.16 -0.39 -0.11 0.00 -0.40 0.00 0.00 41.96 40.90 2bmw s TYR 79 CO 0.20 -0.10 1.41 -1.12 -1.57 0.00 0.00 175.55 174.36 2bmw s SER 80 N 0.68 6.54 0.15 2.29 0.01 -1.26 -1.23 113.70 120.89 2bmw s SER 80 Ca -0.07 2.89 -0.30 0.00 1.31 0.00 0.00 55.95 59.77 2bmw s SER 80 Cb -0.10 -2.66 -0.07 0.00 0.21 0.00 0.00 66.02 63.39 2bmw s SER 80 CO -0.01 -0.72 1.19 -0.63 0.41 0.00 0.00 173.24 173.48 2bmw s ILE 81 N -1.12 3.71 -0.50 1.44 1.01 0.04 -4.44 121.20 121.34 2bmw s ILE 81 Ca 0.51 1.38 0.23 0.00 0.00 0.00 0.00 60.65 62.77 2bmw s ILE 81 Cb -0.43 -3.88 -0.15 0.00 0.01 0.00 0.00 42.46 38.00 2bmw s ILE 81 CO 0.58 0.19 0.92 0.00 0.00 0.00 0.00 174.94 176.64 2bmw n ALA 82 N 2.85 3.31 -2.81 9.38 0.00 0.23 -4.27 120.51 129.21 2bmw n ALA 82 Ca 0.05 -0.42 -0.22 0.00 0.00 0.00 0.00 53.44 52.86 2bmw n ALA 82 Cb 0.45 -0.93 -0.04 0.00 0.00 0.00 0.00 19.45 18.93 2bmw n ALA 82 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2bmw s SER 83 N -4.11 5.66 1.00 0.00 1.04 -1.24 -3.97 113.70 112.08 2bmw s SER 83 Ca 0.02 -0.21 -0.15 0.00 0.48 0.00 0.00 55.95 56.08 2bmw s SER 83 Cb 0.14 -1.44 0.19 0.00 0.10 0.00 0.00 66.02 65.01 2bmw s SER 83 CO 0.82 -0.09 1.19 0.42 0.98 0.00 0.00 173.24 176.57 2bmw s THR 84 N -2.12 1.89 0.58 2.02 -4.23 -1.26 -4.77 115.64 107.75 2bmw s THR 84 Ca 0.34 0.00 0.28 0.00 -1.18 0.00 0.00 61.69 61.14 2bmw s THR 84 Cb -0.08 -2.77 0.37 0.00 1.34 0.00 0.00 72.50 71.36 2bmw s THR 84 CO 0.26 0.00 2.01 0.08 -0.54 0.00 0.00 174.62 176.43 2bmw h ARG 85 N -1.81 0.00 -0.00 3.99 0.11 -1.88 -0.72 114.38 114.06 2bmw h ARG 85 Ca -0.47 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.61 2bmw h ARG 85 Cb 1.29 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.37 2bmw h ARG 85 CO 0.47 0.00 -0.28 0.72 0.10 0.00 0.00 179.97 180.99 2bmw n HIS 86 N -3.81 0.00 0.00 4.08 8.25 -1.26 -4.72 115.22 117.75 2bmw n HIS 86 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 2bmw n HIS 86 Cb 0.48 -0.18 0.00 0.00 1.12 0.00 0.00 29.99 31.41 2bmw n HIS 86 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2bmw n GLY 87 N 1.37 -1.47 0.31 -1.41 0.00 -0.28 -0.41 105.19 103.31 2bmw n GLY 87 Ca 0.11 -1.56 0.16 0.00 0.00 0.00 0.00 46.02 44.73 2bmw n GLY 87 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2bmw h ASP 88 N 0.00 0.00 -0.49 1.61 3.32 -1.86 -0.86 116.42 118.15 2bmw h ASP 88 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2bmw h ASP 88 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2bmw h ASP 88 CO 0.00 0.00 0.00 0.47 -1.72 0.00 0.00 179.24 177.99 2bmw n ASP 89 N -3.73 3.56 -3.87 6.45 8.00 -1.26 -4.96 116.55 120.74 2bmw n ASP 89 Ca -0.02 -1.99 -0.25 0.00 0.71 0.00 0.00 54.79 53.24 2bmw n ASP 89 Cb 0.14 -0.32 0.00 0.00 -0.02 0.00 0.00 41.12 40.92 2bmw n ASP 89 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2bmw n VAL 90 N 1.51 -3.43 -0.22 2.53 0.31 -0.33 -4.88 118.33 113.82 2bmw n VAL 90 Ca 0.21 -0.45 0.00 0.00 -0.01 0.00 0.00 64.34 64.09 2bmw n VAL 90 Cb 0.60 -3.03 0.00 0.00 -0.91 0.00 0.00 33.84 30.51 2bmw n VAL 90 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 2bmw n ASP 91 N -2.99 0.99 -2.21 4.52 5.68 -0.65 -5.00 116.55 116.90 2bmw n ASP 91 Ca -0.27 -1.21 -0.19 0.00 -0.50 0.00 0.00 54.79 52.62 2bmw n ASP 91 Cb 0.67 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.62 2bmw n ASP 91 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 2bmw n ASP 92 N -0.11 -5.34 -0.03 -1.12 8.00 0.45 -4.85 116.55 113.55 2bmw n ASP 92 Ca 0.00 0.13 0.01 0.00 0.71 0.00 0.00 54.79 55.65 2bmw n ASP 92 Cb 0.12 -4.53 -0.00 0.00 -0.02 0.00 0.00 41.12 36.69 2bmw n ASP 92 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2bmw n LYS 93 N -2.80 3.74 -4.28 -1.24 5.02 -1.26 -4.98 118.16 112.37 2bmw n LYS 93 Ca -0.22 -0.24 -0.18 0.00 -2.02 0.00 0.00 58.31 55.66 2bmw n LYS 93 Cb 0.66 -0.76 -0.09 0.00 -0.02 0.00 0.00 35.03 34.82 2bmw n LYS 93 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2bmw s THR 94 N -0.83 0.05 -0.08 -0.18 -4.23 -1.26 -0.65 115.64 108.45 2bmw s THR 94 Ca 0.02 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.41 2bmw s THR 94 Cb 0.02 -2.49 0.03 0.00 1.34 0.00 0.00 72.50 71.39 2bmw s THR 94 CO 0.07 0.00 0.30 -0.51 -0.54 0.00 0.00 174.62 173.94 2bmw s ILE 95 N -3.63 0.02 0.19 2.99 2.07 -0.85 -4.09 121.20 117.91 2bmw s ILE 95 Ca 0.39 -0.19 0.09 0.00 -1.41 0.00 0.00 60.65 59.53 2bmw s ILE 95 Cb 0.04 -0.50 -0.04 0.00 0.13 0.00 0.00 42.46 42.09 2bmw s ILE 95 CO 0.23 -0.11 -0.17 -0.44 -1.91 0.00 0.00 174.94 172.54 2bmw s SER 96 N -0.40 2.73 0.14 4.50 0.01 -1.26 -0.29 113.70 119.13 2bmw s SER 96 Ca -0.05 -0.92 0.05 0.00 1.31 0.00 0.00 55.95 56.34 2bmw s SER 96 Cb -0.03 -0.16 -0.04 0.00 0.21 0.00 0.00 66.02 65.99 2bmw s SER 96 CO 0.02 -0.07 -0.11 -0.76 0.41 0.00 0.00 173.24 172.73 2bmw s LEU 97 N -2.92 2.49 -0.37 2.44 1.43 0.31 -0.60 118.68 121.46 2bmw s LEU 97 Ca 0.19 -0.94 0.03 0.00 -1.03 0.00 0.00 54.13 52.37 2bmw s LEU 97 Cb -0.04 -0.42 0.11 0.00 0.03 0.00 0.00 46.19 45.86 2bmw s LEU 97 CO 0.07 -0.26 0.11 0.00 0.23 0.00 0.00 176.35 176.51 2bmw s VAL 99 N 0.85 3.47 -0.04 0.00 1.01 -0.09 -4.92 120.40 120.68 2bmw s VAL 99 Ca 0.12 -0.48 -0.17 0.00 0.00 0.00 0.00 61.98 61.45 2bmw s VAL 99 Cb -0.20 -2.55 -0.05 0.00 0.00 0.00 0.00 36.38 33.58 2bmw s VAL 99 CO -0.10 0.45 0.48 -0.60 0.00 0.00 0.00 175.10 175.33 2bmw s ARG 100 N 1.02 4.18 -0.26 2.72 3.52 -1.26 -0.50 118.95 128.37 2bmw s ARG 100 Ca 0.00 0.51 -0.29 0.00 -0.13 0.00 0.00 55.73 55.83 2bmw s ARG 100 Cb -0.15 -3.32 0.00 0.00 -1.56 0.00 0.00 34.95 29.92 2bmw s ARG 100 CO 0.00 0.43 1.22 -1.14 -0.81 0.00 0.00 175.30 175.00 2bmw s GLN 101 N -0.29 4.06 0.01 5.12 0.74 0.05 -4.80 119.66 124.54 2bmw s GLN 101 Ca 0.26 1.33 -0.30 0.00 0.05 0.00 0.00 55.36 56.70 2bmw s GLN 101 Cb -0.17 -3.80 -0.04 0.00 1.10 0.00 0.00 33.01 30.10 2bmw s GLN 101 CO 0.13 -0.92 1.16 -1.17 -0.55 0.00 0.00 175.29 173.94 2bmw s LEU 102 N 3.89 4.34 -0.16 3.68 2.96 -1.26 -4.71 118.68 127.41 2bmw s LEU 102 Ca 0.52 1.88 -0.15 0.00 -0.22 0.00 0.00 54.13 56.16 2bmw s LEU 102 Cb -0.17 -3.57 0.04 0.00 0.50 0.00 0.00 46.19 42.99 2bmw s LEU 102 CO 0.18 -0.47 0.43 -1.83 -1.32 0.00 0.00 176.35 173.34 2bmw s GLU 103 N 1.48 0.52 0.18 1.98 -1.05 -1.26 -0.52 118.70 120.02 2bmw s GLU 103 Ca 0.56 0.57 -0.02 0.00 -0.15 0.00 0.00 54.97 55.94 2bmw s GLU 103 Cb -0.26 0.25 0.01 0.00 -0.44 0.00 0.00 34.13 33.69 2bmw s GLU 103 CO 0.26 -0.07 0.27 2.48 0.95 0.00 0.00 175.26 179.15 2bmw n TYR 104 N 2.76 -1.07 -0.77 4.83 4.11 -0.97 -5.01 117.16 121.04 2bmw n TYR 104 Ca -0.14 -1.11 -0.09 0.00 -0.00 0.00 0.00 57.90 56.56 2bmw n TYR 104 Cb 0.57 0.30 0.01 0.00 -0.00 0.00 0.00 39.34 40.22 2bmw n TYR 104 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.86 177.22 2bmw n LYS 105 N -0.28 0.00 -0.01 -3.48 2.85 -1.26 -3.66 118.16 112.32 2bmw n LYS 105 Ca -0.01 0.00 -0.21 0.00 -1.05 0.00 0.00 58.31 57.04 2bmw n LYS 105 Cb 0.29 -0.94 -0.13 0.00 -0.65 0.00 0.00 35.03 33.59 2bmw n LYS 105 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 2bmw h HIS 106 N -1.65 0.37 0.00 5.58 3.86 -1.89 -3.39 115.15 118.04 2bmw h HIS 106 Ca -0.09 -0.27 -0.06 0.00 -1.16 0.00 0.00 60.37 58.79 2bmw h HIS 106 Cb 0.34 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.80 2bmw h HIS 106 CO -2.11 1.55 1.13 -0.35 0.86 0.00 0.00 177.93 179.01 2bmw n PRO 107 N -3.97 0.34 -2.76 2.45 -0.04 -1.26 -3.89 135.00 125.87 2bmw n PRO 107 Ca -0.26 -0.57 -0.09 0.00 -0.04 0.00 0.00 63.50 62.54 2bmw n PRO 107 Cb 0.87 -1.98 0.08 0.00 -0.04 0.00 0.00 33.50 32.43 2bmw n PRO 107 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2bmw n GLU 108 N 4.50 1.08 -2.54 0.54 -0.58 -1.26 -5.07 120.64 117.32 2bmw n GLU 108 Ca 0.07 -2.12 -0.03 0.00 -0.42 0.00 0.00 57.16 54.67 2bmw n GLU 108 Cb 0.04 -0.79 -0.03 0.00 -0.57 0.00 0.00 31.44 30.09 2bmw n GLU 108 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 2bmw n SER 109 N 0.02 -3.51 0.00 1.62 7.64 -1.25 -4.87 113.62 113.26 2bmw n SER 109 Ca 0.05 1.26 0.00 0.00 1.01 0.00 0.00 58.87 61.19 2bmw n SER 109 Cb 0.75 -4.91 0.00 0.00 -1.01 0.00 0.00 64.21 59.04 2bmw n SER 109 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2bmw n GLY 110 N 1.15 0.89 0.00 0.23 0.00 -1.26 -4.88 105.19 101.32 2bmw n GLY 110 Ca -0.22 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.13 2bmw n GLY 110 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2bmw n GLU 111 N 0.00 0.00 -3.83 1.61 2.13 -1.26 -4.72 120.64 114.57 2bmw n GLU 111 Ca 0.00 0.00 -0.37 0.00 0.66 0.00 0.00 57.16 57.45 2bmw n GLU 111 Cb 0.00 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 31.65 2bmw n GLU 111 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 2bmw s THR 112 N 0.00 5.47 -0.10 6.31 2.01 -1.26 -3.36 115.64 124.70 2bmw s THR 112 Ca 0.00 0.24 0.04 0.00 0.31 0.00 0.00 61.69 62.28 2bmw s THR 112 Cb 0.00 -3.43 0.00 0.00 0.01 0.00 0.00 72.50 69.08 2bmw s THR 112 CO 0.00 0.57 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.58 2bmw s VAL 113 N -0.70 2.02 -0.13 3.82 1.01 -1.24 -5.02 120.40 120.16 2bmw s VAL 113 Ca 0.14 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 61.13 2bmw s VAL 113 Cb -0.12 -1.75 -0.01 0.00 0.00 0.00 0.00 36.38 34.50 2bmw s VAL 113 CO 0.03 0.55 -0.15 -0.31 0.00 0.00 0.00 175.10 175.22 2bmw s TYR 114 N 0.36 2.77 0.35 5.22 2.02 -1.26 -2.29 117.35 124.53 2bmw s TYR 114 Ca -0.19 -0.76 -0.28 0.00 -0.37 0.00 0.00 57.07 55.47 2bmw s TYR 114 Cb -0.18 -1.84 -0.11 0.00 -0.40 0.00 0.00 41.96 39.43 2bmw s TYR 114 CO 0.09 -0.28 1.47 0.41 -1.57 0.00 0.00 175.55 175.67 2bmw n GLY 115 N 3.62 1.11 0.39 0.71 0.00 0.32 -4.93 105.19 106.40 2bmw n GLY 115 Ca -0.18 0.35 -0.15 0.00 0.00 0.00 0.00 46.02 46.03 2bmw n GLY 115 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2bmw h VAL 116 N 2.96 0.00 -0.46 1.61 2.07 -1.99 -2.13 116.25 118.31 2bmw h VAL 116 Ca -0.49 -0.00 -0.14 0.00 0.82 0.00 0.00 66.70 66.89 2bmw h VAL 116 Cb 1.25 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 2bmw h VAL 116 CO 0.67 0.00 -0.25 0.00 0.02 0.00 0.00 177.57 178.01 2bmw h SER 118 N 0.83 0.32 0.10 0.00 4.64 -1.87 -0.46 113.55 117.10 2bmw h SER 118 Ca 0.10 -0.12 -0.20 0.00 -0.47 0.00 0.00 61.79 61.09 2bmw h SER 118 Cb 0.83 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 2bmw h SER 118 CO 0.07 0.66 -0.77 0.74 -0.87 0.00 0.00 176.83 176.66 2bmw h THR 119 N 0.26 1.34 -0.12 2.95 2.02 -1.37 -0.69 112.91 117.30 2bmw h THR 119 Ca 0.03 -2.10 -0.00 0.00 0.77 0.00 0.00 66.41 65.11 2bmw h THR 119 Cb 0.77 2.09 -0.01 0.00 -1.74 0.00 0.00 68.15 69.26 2bmw h THR 119 CO 0.06 0.64 0.07 0.22 0.37 0.00 0.00 175.52 176.89 2bmw h TYR 120 N 0.38 0.16 -0.02 3.16 3.20 -1.15 -2.59 116.97 120.11 2bmw h TYR 120 Ca -0.05 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.82 2bmw h TYR 120 Cb 1.38 -0.05 -0.00 0.00 1.54 0.00 0.00 36.73 39.59 2bmw h TYR 120 CO 0.06 0.13 -0.00 -0.07 -1.64 0.00 0.00 178.16 176.65 2bmw h LEU 121 N 0.14 0.03 -2.52 2.82 3.38 -1.03 -2.16 115.31 115.97 2bmw h LEU 121 Ca 0.04 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 2bmw h LEU 121 Cb 0.02 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 2bmw h LEU 121 CO -0.01 0.34 -0.01 0.71 0.09 0.00 0.00 178.44 179.56 2bmw h THR 122 N -0.27 0.06 -0.18 0.22 1.35 -1.13 -2.16 112.91 110.80 2bmw h THR 122 Ca 0.01 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.70 2bmw h THR 122 Cb 0.32 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 67.89 2bmw h THR 122 CO 0.00 0.01 0.00 1.41 -0.25 0.00 0.00 175.52 176.69 2bmw n HIS 123 N -3.16 0.23 -2.06 4.73 8.25 -0.98 -4.99 115.22 117.25 2bmw n HIS 123 Ca -0.02 -0.17 -0.40 0.00 -0.26 0.00 0.00 57.72 56.87 2bmw n HIS 123 Cb 0.14 -0.01 -0.01 0.00 1.12 0.00 0.00 29.99 31.24 2bmw n HIS 123 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 2bmw s ILE 124 N -1.19 2.62 0.00 1.59 2.07 -0.81 -5.01 121.20 120.46 2bmw s ILE 124 Ca 0.23 0.57 -0.05 0.00 -1.41 0.00 0.00 60.65 59.99 2bmw s ILE 124 Cb 0.14 -3.34 -0.05 0.00 0.13 0.00 0.00 42.46 39.35 2bmw s ILE 124 CO 0.20 0.10 0.24 -1.61 -1.91 0.00 0.00 174.94 171.96 2bmw s GLU 125 N -2.14 3.53 0.41 3.50 0.41 -1.26 -4.83 118.70 118.32 2bmw s GLU 125 Ca 0.55 -0.16 -0.26 0.00 -0.41 0.00 0.00 54.97 54.70 2bmw s GLU 125 Cb -0.39 -3.08 -0.10 0.00 -1.78 0.00 0.00 34.13 28.78 2bmw s GLU 125 CO 0.50 0.65 1.26 -2.30 -0.49 0.00 0.00 175.26 174.89 2bmw n PRO 126 N 1.04 1.94 0.00 0.39 -0.02 -1.26 -1.95 135.00 135.14 2bmw n PRO 126 Ca -0.11 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 2bmw n PRO 126 Cb 0.53 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 2bmw n PRO 126 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bmw n GLY 127 N 0.82 2.85 3.78 -1.23 0.00 0.68 -4.96 105.19 107.13 2bmw n GLY 127 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 2bmw n GLY 127 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bmw s SER 128 N -1.22 6.19 -0.03 1.61 0.01 -0.82 -4.67 113.70 114.76 2bmw s SER 128 Ca 0.00 2.08 -0.15 0.00 1.31 0.00 0.00 55.95 59.18 2bmw s SER 128 Cb 0.00 -2.58 -0.05 0.00 0.21 0.00 0.00 66.02 63.60 2bmw s SER 128 CO 0.00 -0.89 0.42 -1.61 0.41 0.00 0.00 173.24 171.56 2bmw s GLU 129 N -3.06 4.03 0.01 12.44 2.02 -1.26 -0.73 118.70 132.15 2bmw s GLU 129 Ca 0.67 0.41 0.04 0.00 0.02 0.00 0.00 54.97 56.11 2bmw s GLU 129 Cb -0.21 -3.28 -0.02 0.00 0.10 0.00 0.00 34.13 30.73 2bmw s GLU 129 CO 0.25 0.56 -0.13 0.08 0.02 0.00 0.00 175.26 176.04 2bmw s VAL 130 N -0.65 1.05 -0.31 2.63 1.01 0.62 -4.96 120.40 119.80 2bmw s VAL 130 Ca 0.24 -0.75 -0.22 0.00 0.00 0.00 0.00 61.98 61.25 2bmw s VAL 130 Cb -0.16 -0.91 -0.00 0.00 0.00 0.00 0.00 36.38 35.30 2bmw s VAL 130 CO 0.12 0.15 0.71 -0.54 0.00 0.00 0.00 175.10 175.55 2bmw s LYS 131 N -0.69 3.93 -0.04 2.72 1.02 -1.26 -1.09 119.74 124.33 2bmw s LYS 131 Ca 0.03 0.45 0.05 0.00 0.02 0.00 0.00 55.97 56.53 2bmw s LYS 131 Cb -0.06 -3.73 -0.02 0.00 -0.52 0.00 0.00 37.83 33.50 2bmw s LYS 131 CO 0.00 -0.63 -0.20 0.42 -0.92 0.00 0.00 175.35 174.03 2bmw s ILE 132 N 2.79 2.58 0.18 2.17 1.01 0.15 -1.98 121.20 128.11 2bmw s ILE 132 Ca 0.29 -0.90 0.06 0.00 0.00 0.00 0.00 60.65 60.10 2bmw s ILE 132 Cb -0.14 -1.97 -0.05 0.00 0.01 0.00 0.00 42.46 40.31 2bmw s ILE 132 CO 0.12 0.58 -0.13 0.42 0.00 0.00 0.00 174.94 175.94 2bmw s THR 133 N -0.60 1.49 0.00 2.92 -4.23 -0.20 -0.72 115.64 114.29 2bmw s THR 133 Ca 0.09 -2.14 0.00 0.00 -1.18 0.00 0.00 61.69 58.45 2bmw s THR 133 Cb -0.11 -1.96 0.00 0.00 1.34 0.00 0.00 72.50 71.78 2bmw s THR 133 CO 0.00 -0.66 0.00 0.61 -0.54 0.00 0.00 174.62 174.03 2bmw n GLY 134 N -0.30 0.41 3.81 3.99 0.00 -0.12 -0.58 105.19 112.40 2bmw n GLY 134 Ca -0.09 -2.21 -0.30 0.00 0.00 0.00 0.00 46.02 43.43 2bmw n GLY 134 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2bmw s PRO 135 N 0.00 1.88 0.04 1.61 0.04 -1.26 -0.39 135.00 136.92 2bmw s PRO 135 Ca 0.00 0.48 0.03 0.00 0.04 0.00 0.00 61.00 61.55 2bmw s PRO 135 Cb 0.00 -1.91 -0.02 0.00 0.04 0.00 0.00 34.50 32.61 2bmw s PRO 135 CO 0.00 -1.73 -0.10 0.14 0.04 0.00 0.00 177.00 175.36 2bmw s VAL 136 N -3.24 0.72 0.00 -0.36 -7.23 0.51 -0.54 120.40 110.25 2bmw s VAL 136 Ca 0.61 -1.03 0.00 0.00 -1.81 0.00 0.00 61.98 59.75 2bmw s VAL 136 Cb -0.14 -0.73 0.00 0.00 0.56 0.00 0.00 36.38 36.07 2bmw s VAL 136 CO 0.53 -0.25 0.00 0.61 -0.31 0.00 0.00 175.10 175.68 2bmw n GLY 137 N 1.62 2.60 0.03 2.32 0.00 -1.26 -0.97 105.19 109.53 2bmw n GLY 137 Ca -0.21 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.37 2bmw n GLY 137 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2bmw n LYS 138 N 1.61 0.56 0.10 1.61 5.02 -1.26 -4.74 118.16 121.05 2bmw n LYS 138 Ca 0.00 -0.74 0.10 0.00 -2.02 0.00 0.00 58.31 55.65 2bmw n LYS 138 Cb 0.00 -0.60 -0.01 0.00 -0.02 0.00 0.00 35.03 34.40 2bmw n LYS 138 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 2bmw h GLU 139 N 0.00 0.00 -0.43 1.97 4.57 -1.95 -3.38 114.58 115.36 2bmw h GLU 139 Ca 0.00 0.00 -0.31 0.00 -1.18 0.00 0.00 59.36 57.87 2bmw h GLU 139 Cb 0.93 0.00 -0.23 0.00 -0.16 0.00 0.00 28.75 29.30 2bmw h GLU 139 CO 0.00 0.05 -0.55 -1.33 -1.18 0.00 0.00 179.01 176.00 2bmw n MET 140 N -2.73 2.61 -2.83 1.92 2.81 -1.26 -4.50 117.12 113.14 2bmw n MET 140 Ca -0.01 -3.70 -0.38 0.00 -1.81 0.00 0.00 57.70 51.80 2bmw n MET 140 Cb 0.59 -1.98 -0.06 0.00 -0.71 0.00 0.00 33.22 31.06 2bmw n MET 140 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2bmw s LEU 141 N -3.44 4.41 0.11 4.03 1.43 -1.26 -4.15 118.68 119.81 2bmw s LEU 141 Ca 0.46 1.79 -0.23 0.00 -1.03 0.00 0.00 54.13 55.12 2bmw s LEU 141 Cb 0.40 -3.85 -0.07 0.00 0.03 0.00 0.00 46.19 42.70 2bmw s LEU 141 CO -0.01 0.00 0.70 -0.22 0.23 0.00 0.00 176.35 177.06 2bmw s LEU 142 N -1.84 4.54 0.60 1.79 2.96 -1.26 -5.04 118.68 120.43 2bmw s LEU 142 Ca 0.47 1.48 -0.17 0.00 -0.22 0.00 0.00 54.13 55.68 2bmw s LEU 142 Cb -0.20 -3.15 -0.03 0.00 0.50 0.00 0.00 46.19 43.32 2bmw s LEU 142 CO 0.25 0.19 1.13 -2.16 -1.32 0.00 0.00 176.35 174.45 2bmw s PRO 143 N -0.91 3.02 0.43 0.98 0.04 -1.26 -4.92 135.00 132.38 2bmw s PRO 143 Ca 0.34 1.56 0.25 0.00 0.04 0.00 0.00 61.00 63.19 2bmw s PRO 143 Cb -0.21 -1.97 0.59 0.00 0.04 0.00 0.00 34.50 32.96 2bmw s PRO 143 CO 0.23 -1.10 1.70 -0.44 0.04 0.00 0.00 177.00 177.43 2bmw h ASP 144 N 0.62 0.00 -2.59 6.66 3.32 -2.00 -3.44 116.42 118.98 2bmw h ASP 144 Ca -0.49 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.00 2bmw h ASP 144 Cb 1.26 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.79 2bmw h ASP 144 CO 0.55 0.00 1.22 -0.62 -1.72 0.00 0.00 179.24 178.67 2bmw s ASP 145 N -5.89 6.17 0.00 6.45 3.68 -1.26 -4.87 116.67 120.95 2bmw s ASP 145 Ca 0.06 1.72 0.16 0.00 2.13 0.00 0.00 52.55 56.62 2bmw s ASP 145 Cb 0.07 -2.53 0.80 0.00 -1.45 0.00 0.00 42.92 39.81 2bmw s ASP 145 CO 0.63 -1.42 1.44 -0.81 0.13 0.00 0.00 175.17 175.14 2bmw n PRO 146 N 7.94 0.24 -0.09 4.34 -0.04 -1.26 -2.51 135.00 143.63 2bmw n PRO 146 Ca 0.21 0.13 0.10 0.00 -0.04 0.00 0.00 63.50 63.90 2bmw n PRO 146 Cb 0.45 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.54 2bmw n PRO 146 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2bmw n GLU 147 N -1.27 2.03 -1.74 0.54 1.02 -1.26 -1.08 120.64 118.89 2bmw n GLU 147 Ca 0.08 -1.90 -0.33 0.00 -0.02 0.00 0.00 57.16 54.99 2bmw n GLU 147 Cb 0.12 -1.41 0.05 0.00 -0.02 0.00 0.00 31.44 30.18 2bmw n GLU 147 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2bmw s ALA 148 N -1.48 2.47 -0.07 0.62 0.00 -1.04 -4.55 121.76 117.70 2bmw s ALA 148 Ca 0.28 0.52 -0.04 0.00 0.00 0.00 0.00 51.96 52.72 2bmw s ALA 148 Cb 0.18 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 19.95 2bmw s ALA 148 CO 0.26 -1.28 0.12 -0.80 0.00 0.00 0.00 175.76 174.06 2bmw s ASN 149 N -2.65 6.11 -0.15 0.00 0.02 -1.16 -3.77 114.94 113.34 2bmw s ASN 149 Ca 0.66 0.35 -0.01 0.00 -1.02 0.00 0.00 52.86 52.85 2bmw s ASN 149 Cb -0.20 -1.90 0.04 0.00 0.02 0.00 0.00 41.25 39.20 2bmw s ASN 149 CO 0.42 0.35 -0.05 -0.69 0.02 0.00 0.00 177.10 177.15 2bmw s VAL 150 N -1.10 1.04 -0.20 1.60 1.01 0.03 -0.90 120.40 121.88 2bmw s VAL 150 Ca 0.19 -0.53 -0.10 0.00 0.00 0.00 0.00 61.98 61.53 2bmw s VAL 150 Cb -0.12 -1.20 -0.05 0.00 0.00 0.00 0.00 36.38 35.01 2bmw s VAL 150 CO 0.08 0.17 0.15 -0.63 0.00 0.00 0.00 175.10 174.87 2bmw s ILE 151 N 1.67 5.40 -0.20 2.22 1.01 0.02 -1.16 121.20 130.15 2bmw s ILE 151 Ca 0.02 0.22 0.01 0.00 0.00 0.00 0.00 60.65 60.90 2bmw s ILE 151 Cb -0.15 -3.49 0.04 0.00 0.01 0.00 0.00 42.46 38.88 2bmw s ILE 151 CO -0.08 0.43 -0.11 -0.04 0.00 0.00 0.00 174.94 175.14 2bmw s MET 152 N 0.43 2.08 -0.34 2.79 -1.94 0.61 -0.30 119.30 122.63 2bmw s MET 152 Ca 0.09 -0.87 -0.04 0.00 -1.71 0.00 0.00 55.69 53.16 2bmw s MET 152 Cb -0.11 -2.45 0.06 0.00 2.01 0.00 0.00 34.83 34.34 2bmw s MET 152 CO -0.01 -0.42 0.09 -0.51 -0.01 0.00 0.00 175.02 174.16 2bmw s LEU 153 N 1.38 4.37 0.00 -0.03 1.43 0.23 -0.59 118.68 125.47 2bmw s LEU 153 Ca -0.01 -1.38 0.06 0.00 -1.03 0.00 0.00 54.13 51.77 2bmw s LEU 153 Cb -0.16 -1.81 -0.02 0.00 0.03 0.00 0.00 46.19 44.23 2bmw s LEU 153 CO -0.08 -0.35 -0.19 0.00 0.23 0.00 0.00 176.35 175.95 2bmw s ALA 154 N 1.30 1.59 -0.11 4.21 0.00 -0.31 -1.66 121.76 126.77 2bmw s ALA 154 Ca -0.01 -0.87 0.02 0.00 0.00 0.00 0.00 51.96 51.10 2bmw s ALA 154 Cb -0.20 -0.38 0.01 0.00 0.00 0.00 0.00 23.12 22.55 2bmw s ALA 154 CO -0.00 0.38 -0.17 0.20 0.00 0.00 0.00 175.76 176.17 2bmw s GLY 155 N -0.63 1.12 0.00 0.00 0.00 -0.62 -0.87 107.32 106.31 2bmw s GLY 155 Ca 0.07 -0.81 0.00 0.00 0.00 0.00 0.00 44.72 43.98 2bmw s GLY 155 CO -0.00 0.14 0.00 0.61 0.00 0.00 0.00 173.10 173.85 2bmw n GLY 156 N 4.13 3.52 0.00 0.20 0.00 -0.59 -0.59 105.19 111.86 2bmw n GLY 156 Ca -0.19 0.01 0.06 0.00 0.00 0.00 0.00 46.02 45.89 2bmw n GLY 156 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2bmw n THR 157 N 0.00 0.18 0.30 2.61 -2.24 -1.26 -2.14 114.28 111.73 2bmw n THR 157 Ca 0.00 0.05 0.06 0.00 -2.27 0.00 0.00 64.05 61.89 2bmw n THR 157 Cb 0.00 -0.85 0.29 0.00 -2.10 0.00 0.00 70.33 67.67 2bmw n THR 157 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bmw n GLY 158 N -0.24 -0.89 0.24 3.38 0.00 0.24 -1.64 105.19 106.28 2bmw n GLY 158 Ca 0.08 0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.23 2bmw n GLY 158 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2bmw h ILE 159 N 0.00 0.68 -0.29 -0.61 6.09 -1.63 -3.36 117.51 118.39 2bmw h ILE 159 Ca 0.00 -0.73 0.05 0.00 -1.37 0.00 0.00 64.86 62.81 2bmw h ILE 159 Cb 0.17 1.46 -0.08 0.00 0.47 0.00 0.00 36.82 38.84 2bmw h ILE 159 CO 0.00 0.17 -0.50 0.74 -3.07 0.00 0.00 178.15 175.49 2bmw h THR 160 N 0.00 0.05 -0.00 2.19 2.02 -1.58 -0.50 112.91 115.08 2bmw h THR 160 Ca -0.00 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.13 2bmw h THR 160 Cb 0.44 0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 2bmw h THR 160 CO 0.02 0.00 -0.22 1.55 0.37 0.00 0.00 175.52 177.24 2bmw h PRO 161 N -0.45 0.00 -0.41 6.66 0.13 -1.74 -2.18 132.00 134.01 2bmw h PRO 161 Ca 0.08 -0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.17 2bmw h PRO 161 Cb 0.62 -0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.73 2bmw h PRO 161 CO -0.52 0.22 0.09 0.52 -0.23 0.00 0.00 178.00 178.08 2bmw h MET 162 N 0.00 0.62 -0.86 0.86 2.86 -1.36 -1.84 114.93 115.21 2bmw h MET 162 Ca -0.00 -0.11 -0.03 0.00 -2.06 0.00 0.00 59.70 57.50 2bmw h MET 162 Cb 0.39 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 31.91 2bmw h MET 162 CO 0.03 0.58 0.44 -0.09 1.06 0.00 0.00 176.91 178.92 2bmw h ARG 163 N 0.60 1.22 -0.46 1.72 2.43 -0.49 -0.15 114.38 119.25 2bmw h ARG 163 Ca 0.14 -0.17 -0.07 0.00 -0.81 0.00 0.00 59.98 59.07 2bmw h ARG 163 Cb 0.25 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 2bmw h ARG 163 CO -0.00 0.92 -0.01 1.79 -1.51 0.00 0.00 179.97 181.16 2bmw h THR 164 N 1.22 1.24 0.10 0.20 1.35 -1.27 -0.35 112.91 115.40 2bmw h THR 164 Ca 0.30 -1.01 -0.00 0.00 -0.55 0.00 0.00 66.41 65.15 2bmw h THR 164 Cb 0.08 0.90 0.00 0.00 -1.73 0.00 0.00 68.15 67.41 2bmw h THR 164 CO -0.04 0.35 -0.05 1.88 -0.25 0.00 0.00 175.52 177.41 2bmw h TYR 165 N 0.72 -0.12 -0.58 4.73 0.05 -0.98 -2.68 116.97 118.10 2bmw h TYR 165 Ca 0.14 -0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.88 2bmw h TYR 165 Cb 0.46 0.04 -0.03 0.00 1.01 0.00 0.00 36.73 38.21 2bmw h TYR 165 CO 0.02 0.31 0.23 -0.07 -1.05 0.00 0.00 178.16 177.61 2bmw h LEU 166 N -0.59 0.76 -0.33 3.88 3.38 -0.96 -0.75 115.31 120.70 2bmw h LEU 166 Ca -0.01 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 57.79 2bmw h LEU 166 Cb 0.48 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 2bmw h LEU 166 CO 0.02 0.69 -0.08 -0.50 0.09 0.00 0.00 178.44 178.66 2bmw h TRP 167 N 0.83 0.72 -0.50 1.13 -0.00 -1.11 0.11 115.95 117.13 2bmw h TRP 167 Ca 0.20 -0.16 -0.04 0.00 -0.00 0.00 0.00 58.89 58.89 2bmw h TRP 167 Cb 0.16 -0.18 -0.02 0.00 -0.00 0.00 0.00 29.16 29.12 2bmw h TRP 167 CO 0.01 0.81 0.13 -0.09 -0.00 0.00 0.00 178.44 179.31 2bmw h ARG 168 N 0.42 0.75 -0.01 0.49 2.43 -1.16 -0.68 114.38 116.62 2bmw h ARG 168 Ca 0.08 -0.14 -0.22 0.00 -0.81 0.00 0.00 59.98 58.89 2bmw h ARG 168 Cb 0.58 -0.12 0.02 0.00 -0.42 0.00 0.00 29.97 30.03 2bmw h ARG 168 CO 0.03 0.67 -0.86 0.52 -1.51 0.00 0.00 179.97 178.82 2bmw h MET 169 N 0.73 0.61 0.00 0.20 2.86 -0.95 -3.41 114.93 114.97 2bmw h MET 169 Ca 0.16 -0.64 0.00 0.00 -2.06 0.00 0.00 59.70 57.17 2bmw h MET 169 Cb 0.25 0.18 0.00 0.00 0.06 0.00 0.00 31.60 32.09 2bmw h MET 169 CO -0.00 1.24 -0.53 1.19 1.06 0.00 0.00 176.91 179.87 2bmw n PHE 170 N -3.99 0.00 -2.22 -0.22 3.72 0.38 -4.52 117.46 110.60 2bmw n PHE 170 Ca -0.11 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.88 2bmw n PHE 170 Cb 0.80 -0.03 -0.03 0.00 -0.94 0.00 0.00 39.48 39.28 2bmw n PHE 170 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 2bmw s LYS 171 N -1.67 4.38 0.19 -1.08 -0.14 -0.27 -4.92 119.74 116.24 2bmw s LYS 171 Ca 0.00 2.04 -0.13 0.00 -1.36 0.00 0.00 55.97 56.52 2bmw s LYS 171 Cb 0.03 -3.21 0.20 0.00 -1.68 0.00 0.00 37.83 33.17 2bmw s LYS 171 CO 0.15 -0.28 1.68 -0.44 -0.76 0.00 0.00 175.35 175.69 2bmw h ASP 172 N 5.70 -0.23 0.20 2.83 3.32 -1.95 -0.99 116.42 125.29 2bmw h ASP 172 Ca -0.44 0.13 -0.05 0.00 0.02 0.00 0.00 57.03 56.68 2bmw h ASP 172 Cb 1.21 0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.98 2bmw h ASP 172 CO 0.79 -0.08 -0.23 0.00 -1.72 0.00 0.00 179.24 178.00 2bmw h ALA 173 N 1.47 1.55 -0.09 3.45 0.00 -1.95 -1.90 119.26 121.78 2bmw h ALA 173 Ca 0.26 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 2bmw h ALA 173 Cb 0.40 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2bmw h ALA 173 CO -0.44 0.33 -0.16 0.93 0.00 0.00 0.00 179.25 179.92 2bmw h GLU 174 N 0.06 0.26 -0.50 0.00 4.39 -1.57 -2.22 114.58 115.00 2bmw h GLU 174 Ca 0.01 -0.16 0.03 0.00 0.34 0.00 0.00 59.36 59.57 2bmw h GLU 174 Cb 0.44 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.08 2bmw h GLU 174 CO 0.03 0.74 0.33 0.00 -1.16 0.00 0.00 179.01 178.96 2bmw h ARG 175 N -0.19 0.57 0.00 2.33 3.08 -0.94 0.81 114.38 120.04 2bmw h ARG 175 Ca 0.01 -0.03 -0.12 0.00 0.07 0.00 0.00 59.98 59.90 2bmw h ARG 175 Cb 0.73 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.63 2bmw h ARG 175 CO 0.04 0.38 -0.59 0.00 -1.07 0.00 0.00 179.97 178.72 2bmw h ALA 176 N 1.71 1.02 0.00 0.04 0.00 -1.28 -3.17 119.26 117.58 2bmw h ALA 176 Ca 0.20 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2bmw h ALA 176 Cb 0.07 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2bmw h ALA 176 CO -0.05 0.74 -0.76 0.00 0.00 0.00 0.00 179.25 179.18 2bmw h ALA 177 N 1.41 0.52 -2.49 0.00 0.00 -0.56 -3.40 119.26 114.73 2bmw h ALA 177 Ca -0.01 0.00 -0.62 0.00 0.00 0.00 0.00 54.91 54.28 2bmw h ALA 177 Cb 1.05 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 18.43 2bmw h ALA 177 CO 0.08 0.00 -0.48 0.09 0.00 0.00 0.00 179.25 178.94 2bmw n ASN 178 N -2.19 3.73 0.28 0.00 3.02 0.15 -4.91 115.26 115.34 2bmw n ASN 178 Ca 0.02 -3.36 0.17 0.00 -0.03 0.00 0.00 54.58 51.39 2bmw n ASN 178 Cb 0.46 -0.76 0.95 0.00 -0.61 0.00 0.00 39.78 39.82 2bmw n ASN 178 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 2bmw h PRO 179 N 4.73 0.00 -0.00 3.52 0.13 -1.80 -1.05 132.00 137.53 2bmw h PRO 179 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 2bmw h PRO 179 Cb 0.70 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.83 2bmw h PRO 179 CO 0.83 0.00 -0.17 -0.85 -0.23 0.00 0.00 178.00 177.58 2bmw n GLU 180 N -3.60 0.29 -3.58 0.86 0.00 -1.26 -4.55 120.64 108.81 2bmw n GLU 180 Ca -0.01 -0.10 -0.28 0.00 0.00 0.00 0.00 57.16 56.77 2bmw n GLU 180 Cb 0.18 -1.50 -0.12 0.00 0.00 0.00 0.00 31.44 30.01 2bmw n GLU 180 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.13 176.66 2bmw s TYR 181 N -2.77 1.68 -0.71 -1.84 5.04 -0.40 -4.89 117.35 113.47 2bmw s TYR 181 Ca 0.20 -2.39 -0.07 0.00 -2.44 0.00 0.00 57.07 52.37 2bmw s TYR 181 Cb 0.19 -1.49 0.18 0.00 0.35 0.00 0.00 41.96 41.19 2bmw s TYR 181 CO 0.55 -0.77 0.57 -0.65 -1.34 0.00 0.00 175.55 173.91 2bmw s GLN 182 N 0.09 2.96 0.16 4.97 -1.52 -1.26 -4.87 119.66 120.19 2bmw s GLN 182 Ca 0.24 -2.54 -0.34 0.00 -1.95 0.00 0.00 55.36 50.78 2bmw s GLN 182 Cb -0.11 -3.99 -0.13 0.00 -0.22 0.00 0.00 33.01 28.56 2bmw s GLN 182 CO -0.09 -1.22 1.62 0.34 -0.25 0.00 0.00 175.29 175.68 2bmw n PHE 183 N 3.61 2.35 -1.33 0.91 7.35 -1.26 -4.87 117.46 124.22 2bmw n PHE 183 Ca 0.10 0.21 0.01 0.00 -0.76 0.00 0.00 57.45 57.01 2bmw n PHE 183 Cb 0.41 -2.57 0.01 0.00 0.35 0.00 0.00 39.48 37.68 2bmw n PHE 183 CO 0.00 0.00 0.00 0.36 -0.76 0.00 0.00 176.76 176.36 2bmw n LYS 184 N 3.69 0.26 0.00 -4.13 2.85 -0.24 -5.06 118.16 115.54 2bmw n LYS 184 Ca 0.17 -0.87 0.00 0.00 -1.05 0.00 0.00 58.31 56.56 2bmw n LYS 184 Cb 0.30 -0.59 0.00 0.00 -0.65 0.00 0.00 35.03 34.09 2bmw n LYS 184 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2bmw n GLY 185 N -0.11 0.64 3.18 2.58 0.00 -1.08 -4.92 105.19 105.49 2bmw n GLY 185 Ca 0.01 -1.78 -0.30 0.00 0.00 0.00 0.00 46.02 43.95 2bmw n GLY 185 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2bmw s PHE 186 N 0.99 2.22 -0.02 1.61 5.36 -1.25 -4.55 117.98 122.34 2bmw s PHE 186 Ca 0.00 -0.82 0.07 0.00 -0.96 0.00 0.00 56.93 55.23 2bmw s PHE 186 Cb 0.00 -1.49 -0.02 0.00 -0.34 0.00 0.00 43.02 41.17 2bmw s PHE 186 CO 0.00 -0.32 -0.24 -1.12 -1.46 0.00 0.00 175.22 172.07 2bmw s SER 187 N 0.26 2.87 -0.11 6.13 0.01 0.57 -0.79 113.70 122.65 2bmw s SER 187 Ca -0.13 -0.44 -0.02 0.00 1.31 0.00 0.00 55.95 56.67 2bmw s SER 187 Cb -0.16 -0.34 0.03 0.00 0.21 0.00 0.00 66.02 65.77 2bmw s SER 187 CO 0.06 0.30 -0.00 0.86 0.41 0.00 0.00 173.24 174.87 2bmw s TRP 188 N -0.56 0.87 -0.21 2.43 -0.11 -0.31 -1.07 118.94 119.99 2bmw s TRP 188 Ca 0.09 -0.41 -0.07 0.00 1.22 0.00 0.00 56.10 56.93 2bmw s TRP 188 Cb -0.10 -0.92 -0.03 0.00 -1.50 0.00 0.00 33.47 30.93 2bmw s TRP 188 CO -0.01 -0.42 0.05 -1.17 -4.62 0.00 0.00 176.95 170.79 2bmw s LEU 189 N 1.91 3.56 -0.28 5.86 2.96 -0.16 -0.29 118.68 132.24 2bmw s LEU 189 Ca 0.04 -0.09 -0.03 0.00 -0.22 0.00 0.00 54.13 53.83 2bmw s LEU 189 Cb -0.13 -1.92 0.03 0.00 0.50 0.00 0.00 46.19 44.66 2bmw s LEU 189 CO -0.06 0.07 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.34 2bmw s VAL 190 N 0.99 3.17 -0.18 1.68 1.01 0.24 -0.70 120.40 126.61 2bmw s VAL 190 Ca 0.03 -1.05 0.01 0.00 0.00 0.00 0.00 61.98 60.97 2bmw s VAL 190 Cb -0.14 -2.68 0.02 0.00 0.00 0.00 0.00 36.38 33.58 2bmw s VAL 190 CO 0.03 0.08 -0.19 0.12 0.00 0.00 0.00 175.10 175.14 2bmw s PHE 191 N 1.35 2.79 -0.21 5.22 5.36 0.17 -1.17 117.98 131.49 2bmw s PHE 191 Ca -0.01 -1.55 -0.05 0.00 -0.96 0.00 0.00 56.93 54.35 2bmw s PHE 191 Cb -0.18 -1.93 -0.03 0.00 -0.34 0.00 0.00 43.02 40.55 2bmw s PHE 191 CO -0.02 -0.76 0.01 0.20 -1.46 0.00 0.00 175.22 173.19 2bmw s GLY 192 N 1.26 1.73 0.13 13.12 0.00 -0.05 -1.29 107.32 122.21 2bmw s GLY 192 Ca 0.04 -0.99 -0.07 0.00 0.00 0.00 0.00 44.72 43.70 2bmw s GLY 192 CO -0.11 0.26 0.20 -1.34 0.00 0.00 0.00 173.10 172.11 2bmw s VAL 193 N 1.04 0.10 0.22 1.40 -7.23 -0.70 -1.54 120.40 113.70 2bmw s VAL 193 Ca 0.02 -1.45 0.08 0.00 -1.81 0.00 0.00 61.98 58.82 2bmw s VAL 193 Cb -0.14 -1.72 -0.08 0.00 0.56 0.00 0.00 36.38 35.00 2bmw s VAL 193 CO 0.02 -0.47 1.51 1.55 -0.31 0.00 0.00 175.10 177.40 2bmw h PRO 194 N 2.70 0.06 -4.12 4.82 0.13 -1.90 -2.60 132.00 131.09 2bmw h PRO 194 Ca -0.33 -0.05 -0.14 0.00 -0.87 0.00 0.00 66.00 64.61 2bmw h PRO 194 Cb 1.21 0.01 -0.14 0.00 0.13 0.00 0.00 31.00 32.22 2bmw h PRO 194 CO 0.54 0.76 -0.46 0.95 -0.23 0.00 0.00 178.00 179.55 2bmw s THR 195 N -3.40 0.08 0.15 1.56 -4.23 -1.26 -1.01 115.64 107.53 2bmw s THR 195 Ca -0.01 -1.61 -0.15 0.00 -1.18 0.00 0.00 61.69 58.74 2bmw s THR 195 Cb 0.12 -1.91 0.03 0.00 1.34 0.00 0.00 72.50 72.07 2bmw s THR 195 CO 0.79 -0.38 1.75 0.74 -0.54 0.00 0.00 174.62 176.98 2bmw h THR 196 N 2.69 1.17 0.00 3.99 2.02 -1.95 -0.81 112.91 120.02 2bmw h THR 196 Ca -0.33 -0.45 0.00 0.00 0.77 0.00 0.00 66.41 66.40 2bmw h THR 196 Cb 1.21 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 68.24 2bmw h THR 196 CO 0.53 0.18 0.00 1.55 0.37 0.00 0.00 175.52 178.15 2bmw h PRO 197 N 0.61 0.00 -0.04 6.66 0.13 -1.89 -0.00 132.00 137.48 2bmw h PRO 197 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 2bmw h PRO 197 Cb 0.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.20 2bmw h PRO 197 CO -0.02 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 177.84 2bmw n ASN 198 N -2.64 1.09 -4.55 1.44 4.13 -0.32 -1.79 115.26 112.62 2bmw n ASN 198 Ca -0.01 -1.42 -0.38 0.00 1.68 0.00 0.00 54.58 54.44 2bmw n ASN 198 Cb 0.10 -0.02 -0.03 0.00 -1.54 0.00 0.00 39.78 38.29 2bmw n ASN 198 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2bmw s ILE 199 N -1.96 3.62 0.20 2.41 1.01 -0.02 -4.88 121.20 121.57 2bmw s ILE 199 Ca 0.38 0.03 -0.32 0.00 0.00 0.00 0.00 60.65 60.75 2bmw s ILE 199 Cb 0.20 -4.55 -0.11 0.00 0.01 0.00 0.00 42.46 38.01 2bmw s ILE 199 CO 0.32 -1.48 1.66 -0.76 0.00 0.00 0.00 174.94 174.68 2bmw s LEU 200 N 7.13 4.37 -1.58 2.97 1.43 -1.26 -2.04 118.68 129.69 2bmw s LEU 200 Ca 0.51 2.78 0.00 0.00 -1.03 0.00 0.00 54.13 56.39 2bmw s LEU 200 Cb -0.08 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.55 2bmw s LEU 200 CO 0.10 -0.92 0.00 -1.22 0.23 0.00 0.00 176.35 174.54 2bmw n TYR 201 N 3.92 -0.48 -0.14 0.29 4.01 -1.26 -4.92 117.16 118.58 2bmw n TYR 201 Ca 0.15 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.81 2bmw n TYR 201 Cb 0.36 -3.20 -0.03 0.00 -0.31 0.00 0.00 39.34 36.17 2bmw n TYR 201 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 2bmw h LYS 202 N 0.00 -0.26 -0.60 -0.72 3.64 -1.79 -1.39 116.57 115.45 2bmw h LYS 202 Ca -0.38 0.02 0.09 0.00 -1.27 0.00 0.00 60.65 59.11 2bmw h LYS 202 Cb 1.22 0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 33.02 2bmw h LYS 202 CO 0.49 -0.17 0.23 0.93 -2.27 0.00 0.00 179.45 178.65 2bmw h GLU 203 N -0.27 0.40 -0.18 1.90 3.07 -1.91 -0.96 114.58 116.62 2bmw h GLU 203 Ca 0.17 -0.02 -0.15 0.00 -0.50 0.00 0.00 59.36 58.85 2bmw h GLU 203 Cb 0.56 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.38 2bmw h GLU 203 CO -0.59 0.26 -0.52 0.93 -1.40 0.00 0.00 179.01 177.69 2bmw h GLU 204 N 0.41 0.51 -0.42 2.33 5.08 -1.86 -1.69 114.58 118.94 2bmw h GLU 204 Ca 0.30 -0.31 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 2bmw h GLU 204 Cb 0.36 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 2bmw h GLU 204 CO -0.30 0.91 0.05 -0.07 -1.00 0.00 0.00 179.01 178.60 2bmw h LEU 205 N 0.40 0.68 -1.03 1.33 3.38 -0.79 -1.90 115.31 117.38 2bmw h LEU 205 Ca 0.01 -0.27 -0.10 0.00 0.09 0.00 0.00 57.88 57.61 2bmw h LEU 205 Cb 1.04 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 2bmw h LEU 205 CO 0.10 0.78 -0.46 -0.33 0.09 0.00 0.00 178.44 178.62 2bmw h GLU 206 N 0.56 0.00 -0.43 1.13 5.08 -1.15 -2.39 114.58 117.37 2bmw h GLU 206 Ca 0.13 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.43 2bmw h GLU 206 Cb 0.40 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 2bmw h GLU 206 CO 0.01 0.46 0.06 1.49 -1.00 0.00 0.00 179.01 180.03 2bmw h GLU 207 N 0.00 0.73 -0.65 2.33 4.81 -1.02 -1.86 114.58 118.90 2bmw h GLU 207 Ca -0.00 -0.20 -0.04 0.00 -0.13 0.00 0.00 59.36 58.98 2bmw h GLU 207 Cb 0.86 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.13 2bmw h GLU 207 CO 0.06 0.77 0.26 0.82 -0.73 0.00 0.00 179.01 180.18 2bmw h ILE 208 N 0.58 1.24 -0.36 2.32 2.04 -1.08 -1.87 117.51 120.38 2bmw h ILE 208 Ca 0.13 -0.75 -0.08 0.00 1.00 0.00 0.00 64.86 65.16 2bmw h ILE 208 Cb 0.40 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 2bmw h ILE 208 CO 0.01 0.30 -0.10 -0.61 0.00 0.00 0.00 178.15 177.75 2bmw h GLN 209 N 0.92 0.61 -0.42 2.37 4.15 -1.26 0.37 115.11 121.86 2bmw h GLN 209 Ca 0.22 -0.18 -0.12 0.00 0.77 0.00 0.00 58.65 59.33 2bmw h GLN 209 Cb 0.21 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.83 2bmw h GLN 209 CO -0.02 0.71 -0.24 0.37 -1.93 0.00 0.00 178.83 177.73 2bmw h GLN 210 N 0.57 0.85 0.03 1.69 5.75 -1.03 -2.60 115.11 120.37 2bmw h GLN 210 Ca 0.10 -0.36 -0.22 0.00 -0.15 0.00 0.00 58.65 58.02 2bmw h GLN 210 Cb 0.51 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 29.01 2bmw h GLN 210 CO 0.03 1.00 -1.03 0.87 -2.65 0.00 0.00 178.83 177.05 2bmw h LYS 211 N 0.74 0.07 -2.17 1.69 1.57 -1.07 -3.38 116.57 114.01 2bmw h LYS 211 Ca 0.10 -0.11 -0.56 0.00 -1.87 0.00 0.00 60.65 58.21 2bmw h LYS 211 Cb 0.78 0.04 -0.41 0.00 0.08 0.00 0.00 32.23 32.71 2bmw h LYS 211 CO 0.06 1.03 -0.83 0.66 -0.57 0.00 0.00 179.45 179.80 2bmw n TYR 212 N -3.43 2.57 0.18 -1.35 4.01 0.10 -4.93 117.16 114.31 2bmw n TYR 212 Ca -0.02 -3.94 0.16 0.00 -0.16 0.00 0.00 57.90 53.94 2bmw n TYR 212 Cb 0.94 -0.47 0.76 0.00 -0.31 0.00 0.00 39.34 40.26 2bmw n TYR 212 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 2bmw h PRO 213 N 3.18 0.00 -0.01 -0.72 0.13 -1.65 -0.50 132.00 132.42 2bmw h PRO 213 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2bmw h PRO 213 Cb 0.68 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.81 2bmw h PRO 213 CO 0.70 0.00 -0.40 -0.25 -0.23 0.00 0.00 178.00 177.82 2bmw n ASP 214 N -4.10 1.28 -0.00 1.44 8.00 -1.26 -4.28 116.55 117.63 2bmw n ASP 214 Ca 0.02 -1.03 0.00 0.00 0.71 0.00 0.00 54.79 54.50 2bmw n ASP 214 Cb 0.32 0.32 -0.00 0.00 -0.02 0.00 0.00 41.12 41.73 2bmw n ASP 214 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2bmw n ASN 215 N -0.60 0.10 -3.72 -2.24 4.13 -0.63 -4.79 115.26 107.51 2bmw n ASN 215 Ca 0.10 -0.51 -0.14 0.00 1.68 0.00 0.00 54.58 55.71 2bmw n ASN 215 Cb 0.38 1.00 -0.14 0.00 -1.54 0.00 0.00 39.78 39.48 2bmw n ASN 215 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 2bmw s PHE 216 N -1.09 -0.26 -0.06 3.10 5.36 -0.29 -0.32 117.98 124.42 2bmw s PHE 216 Ca 0.00 0.67 0.06 0.00 -0.96 0.00 0.00 56.93 56.70 2bmw s PHE 216 Cb 0.01 -0.06 -0.01 0.00 -0.34 0.00 0.00 43.02 42.61 2bmw s PHE 216 CO 0.03 -0.23 -0.24 0.50 -1.46 0.00 0.00 175.22 173.82 2bmw s ARG 217 N 1.56 2.57 -0.17 10.12 3.52 -0.23 -4.57 118.95 131.75 2bmw s ARG 217 Ca -0.06 -0.88 0.01 0.00 -0.13 0.00 0.00 55.73 54.67 2bmw s ARG 217 Cb -0.11 -2.19 0.01 0.00 -1.56 0.00 0.00 34.95 31.10 2bmw s ARG 217 CO -0.07 0.40 -0.18 -1.17 -0.81 0.00 0.00 175.30 173.46 2bmw s LEU 218 N -0.20 2.27 -0.08 -0.88 2.96 -1.26 -0.99 118.68 120.49 2bmw s LEU 218 Ca -0.02 -0.58 0.02 0.00 -0.22 0.00 0.00 54.13 53.33 2bmw s LEU 218 Cb -0.13 -1.51 0.01 0.00 0.50 0.00 0.00 46.19 45.06 2bmw s LEU 218 CO 0.03 0.04 -0.14 -0.89 -1.32 0.00 0.00 176.35 174.07 2bmw s THR 219 N 1.07 1.35 0.11 3.68 2.01 0.13 -5.00 115.64 118.98 2bmw s THR 219 Ca -0.01 -0.59 0.05 0.00 0.31 0.00 0.00 61.69 61.45 2bmw s THR 219 Cb -0.14 -1.22 -0.04 0.00 0.01 0.00 0.00 72.50 71.11 2bmw s THR 219 CO -0.06 0.41 0.05 -0.31 -0.69 0.00 0.00 174.62 174.01 2bmw s TYR 220 N 0.73 3.07 -0.32 4.92 2.02 -1.26 -0.66 117.35 125.85 2bmw s TYR 220 Ca -0.13 -0.00 0.01 0.00 -0.37 0.00 0.00 57.07 56.58 2bmw s TYR 220 Cb -0.16 -1.54 0.10 0.00 -0.40 0.00 0.00 41.96 39.96 2bmw s TYR 220 CO 0.03 0.50 0.09 0.00 -1.57 0.00 0.00 175.55 174.60 2bmw s ALA 221 N -1.46 1.96 -0.46 3.71 0.00 -0.41 -4.91 121.76 120.17 2bmw s ALA 221 Ca 0.28 -1.95 -0.08 0.00 0.00 0.00 0.00 51.96 50.22 2bmw s ALA 221 Cb -0.11 -1.73 0.12 0.00 0.00 0.00 0.00 23.12 21.39 2bmw s ALA 221 CO 0.20 -1.68 0.32 0.42 0.00 0.00 0.00 175.76 175.02 2bmw s ILE 222 N 1.38 3.99 0.28 0.00 1.01 -1.25 -1.72 121.20 124.89 2bmw s ILE 222 Ca 0.10 -1.89 0.01 0.00 0.00 0.00 0.00 60.65 58.87 2bmw s ILE 222 Cb -0.18 -3.65 0.28 0.00 0.01 0.00 0.00 42.46 38.92 2bmw s ILE 222 CO -0.20 -0.76 1.83 0.77 0.00 0.00 0.00 174.94 176.58 2bmw h SER 223 N 8.31 0.89 -0.03 3.58 4.64 -1.07 -0.37 113.55 129.50 2bmw h SER 223 Ca -0.18 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 2bmw h SER 223 Cb 1.06 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 2bmw h SER 223 CO 0.82 0.46 0.00 0.54 -0.87 0.00 0.00 176.83 177.78 2bmw n ARG 224 N -4.65 1.51 0.00 4.77 5.12 -0.18 -3.98 116.66 119.25 2bmw n ARG 224 Ca 0.19 -0.75 0.00 0.00 -1.93 0.00 0.00 57.85 55.36 2bmw n ARG 224 Cb 0.37 -1.47 0.00 0.00 -1.16 0.00 0.00 32.46 30.20 2bmw n ARG 224 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 2bmw n GLU 225 N -0.08 4.97 -4.03 5.56 1.02 -0.83 -5.05 120.64 122.20 2bmw n GLU 225 Ca 0.20 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.23 2bmw n GLU 225 Cb 0.29 -0.36 -0.11 0.00 -0.02 0.00 0.00 31.44 31.24 2bmw n GLU 225 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2bmw s GLN 226 N -0.72 0.44 0.04 3.49 -0.21 -0.21 -5.04 119.66 117.45 2bmw s GLN 226 Ca 0.00 -0.75 0.09 0.00 0.02 0.00 0.00 55.36 54.72 2bmw s GLN 226 Cb 0.00 -0.04 -0.03 0.00 1.00 0.00 0.00 33.01 33.95 2bmw s GLN 226 CO 0.00 -0.02 -0.26 0.15 -2.12 0.00 0.00 175.29 173.05 2bmw s LYS 227 N -1.82 1.76 0.85 2.91 -0.14 -1.26 -1.34 119.74 120.69 2bmw s LYS 227 Ca -0.11 -1.07 -0.12 0.00 -1.36 0.00 0.00 55.97 53.31 2bmw s LYS 227 Cb -0.08 -1.91 0.12 0.00 -1.68 0.00 0.00 37.83 34.28 2bmw s LYS 227 CO -0.01 0.50 1.21 0.54 -0.76 0.00 0.00 175.35 176.82 2bmw s ASN 228 N -1.19 4.03 0.65 2.83 2.20 0.67 -4.77 114.94 119.37 2bmw s ASN 228 Ca 0.11 0.52 0.35 0.00 -0.94 0.00 0.00 52.86 52.89 2bmw s ASN 228 Cb -0.10 -0.86 1.90 0.00 -2.00 0.00 0.00 41.25 40.19 2bmw s ASN 228 CO 0.02 -2.17 2.10 -0.65 -2.94 0.00 0.00 177.10 173.46 2bmw h PRO 229 N -1.20 0.00 -0.00 3.55 0.11 -1.97 0.44 132.00 132.93 2bmw h PRO 229 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2bmw h PRO 229 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 2bmw h PRO 229 CO 0.54 0.00 -0.26 1.04 -0.21 0.00 0.00 178.00 179.12 2bmw n GLN 230 N -3.12 0.13 -0.21 1.05 3.00 -1.26 -4.92 117.38 112.04 2bmw n GLN 230 Ca -0.01 -0.05 0.00 0.00 -0.01 0.00 0.00 57.00 56.93 2bmw n GLN 230 Cb 0.28 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.02 2bmw n GLN 230 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2bmw n GLY 231 N 1.46 0.62 3.95 1.08 0.00 0.15 -5.07 105.19 107.38 2bmw n GLY 231 Ca 0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 2bmw n GLY 231 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2bmw s GLY 232 N -1.26 1.75 0.49 -0.02 0.00 -1.26 -4.76 107.32 102.27 2bmw s GLY 232 Ca 0.00 -1.14 -0.23 0.00 0.00 0.00 0.00 44.72 43.35 2bmw s GLY 232 CO 0.00 -0.77 1.34 0.50 0.00 0.00 0.00 173.10 174.16 2bmw s ARG 233 N -5.05 3.45 -0.18 2.90 0.52 -1.26 -0.24 118.95 119.09 2bmw s ARG 233 Ca 0.60 2.19 -0.29 0.00 -0.52 0.00 0.00 55.73 57.70 2bmw s ARG 233 Cb -0.10 -2.43 -0.00 0.00 0.52 0.00 0.00 34.95 32.94 2bmw s ARG 233 CO 0.42 -0.93 1.13 1.41 0.02 0.00 0.00 175.30 177.35 2bmw s MET 234 N -2.70 4.27 0.33 3.54 -2.45 -0.45 -4.46 119.30 117.39 2bmw s MET 234 Ca 0.66 1.49 0.08 0.00 -1.25 0.00 0.00 55.69 56.67 2bmw s MET 234 Cb -0.39 -3.67 -0.06 0.00 1.25 0.00 0.00 34.83 31.96 2bmw s MET 234 CO 0.48 -0.62 -0.06 0.71 1.05 0.00 0.00 175.02 176.58 2bmw s TYR 235 N 3.14 2.24 0.29 4.11 2.02 -1.26 -2.36 117.35 125.53 2bmw s TYR 235 Ca 0.49 -0.61 0.04 0.00 -0.37 0.00 0.00 57.07 56.62 2bmw s TYR 235 Cb -0.18 -1.33 0.68 0.00 -0.40 0.00 0.00 41.96 40.73 2bmw s TYR 235 CO 0.11 0.43 1.79 0.97 -1.57 0.00 0.00 175.55 177.28 2bmw h ILE 236 N 2.09 0.76 -0.26 2.71 2.10 -1.93 0.53 117.51 123.51 2bmw h ILE 236 Ca -0.41 -0.28 0.02 0.00 1.08 0.00 0.00 64.86 65.27 2bmw h ILE 236 Cb 1.24 -0.12 -0.01 0.00 -1.09 0.00 0.00 36.82 36.84 2bmw h ILE 236 CO 0.70 0.15 0.17 0.06 -1.08 0.00 0.00 178.15 178.16 2bmw h GLN 237 N 0.81 0.26 -0.29 2.19 -0.00 -1.92 -0.74 115.11 115.41 2bmw h GLN 237 Ca 0.55 -0.02 -0.15 0.00 -0.00 0.00 0.00 58.65 59.03 2bmw h GLN 237 Cb 0.79 -0.06 -0.01 0.00 -0.00 0.00 0.00 27.48 28.20 2bmw h GLN 237 CO -0.36 0.17 -0.43 -0.44 -0.00 0.00 0.00 178.83 177.78 2bmw h ASP 238 N 0.27 0.78 0.13 0.06 3.32 -1.27 -1.50 116.42 118.22 2bmw h ASP 238 Ca 0.10 -0.37 -0.15 0.00 0.02 0.00 0.00 57.03 56.64 2bmw h ASP 238 Cb 0.08 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 2bmw h ASP 238 CO -0.02 1.11 -0.54 0.03 -1.72 0.00 0.00 179.24 178.10 2bmw h ARG 239 N 0.59 0.44 -0.45 3.56 2.47 -1.09 -1.23 114.38 118.66 2bmw h ARG 239 Ca 0.04 -0.27 -0.12 0.00 -1.26 0.00 0.00 59.98 58.38 2bmw h ARG 239 Cb 0.98 0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 29.32 2bmw h ARG 239 CO 0.09 0.86 -0.18 0.28 0.56 0.00 0.00 179.97 181.58 2bmw h VAL 240 N 0.34 1.27 -0.46 2.04 2.07 -1.04 -1.24 116.25 119.23 2bmw h VAL 240 Ca 0.01 -1.31 -0.07 0.00 0.82 0.00 0.00 66.70 66.15 2bmw h VAL 240 Cb 1.05 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.91 2bmw h VAL 240 CO 0.09 0.45 0.01 0.00 0.02 0.00 0.00 177.57 178.15 2bmw h ALA 241 N 1.01 0.61 -0.74 1.67 0.00 -1.11 0.34 119.26 121.04 2bmw h ALA 241 Ca 0.11 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.77 2bmw h ALA 241 Cb 0.72 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 2bmw h ALA 241 CO 0.06 0.40 0.49 1.49 0.00 0.00 0.00 179.25 181.68 2bmw h GLU 242 N 0.65 0.94 -0.31 0.00 4.81 -0.96 -2.72 114.58 116.99 2bmw h GLU 242 Ca 0.13 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.21 2bmw h GLU 242 Cb 0.48 -0.21 -0.06 0.00 0.63 0.00 0.00 28.75 29.59 2bmw h GLU 242 CO 0.02 0.62 -0.02 0.72 -0.73 0.00 0.00 179.01 179.63 2bmw n HIS 243 N -4.43 1.02 -0.20 0.92 8.25 -0.49 -4.78 115.22 115.51 2bmw n HIS 243 Ca 0.08 -1.23 -0.02 0.00 -0.26 0.00 0.00 57.72 56.30 2bmw n HIS 243 Cb 0.06 -0.40 0.09 0.00 1.12 0.00 0.00 29.99 30.86 2bmw n HIS 243 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2bmw h ALA 244 N 1.34 0.77 -0.43 -1.41 0.00 0.01 -0.92 119.26 118.62 2bmw h ALA 244 Ca 0.11 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 2bmw h ALA 244 Cb 1.56 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.31 2bmw h ALA 244 CO 0.31 -0.11 0.19 -0.44 0.00 0.00 0.00 179.25 179.20 2bmw h ASP 245 N 0.50 0.58 -0.63 0.00 3.32 -1.86 -0.05 116.42 118.28 2bmw h ASP 245 Ca 0.28 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 2bmw h ASP 245 Cb 0.27 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.64 2bmw h ASP 245 CO -0.23 0.57 0.33 1.56 -1.72 0.00 0.00 179.24 179.75 2bmw h GLN 246 N 0.55 0.88 -0.33 3.56 4.20 -1.84 -1.05 115.11 121.07 2bmw h GLN 246 Ca 0.14 -0.11 -0.05 0.00 0.06 0.00 0.00 58.65 58.70 2bmw h GLN 246 Cb 0.16 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 2bmw h GLN 246 CO -0.01 0.68 0.02 -0.07 -0.67 0.00 0.00 178.83 178.77 2bmw h LEU 247 N 0.85 0.56 -0.77 1.46 3.38 -0.94 -2.50 115.31 117.35 2bmw h LEU 247 Ca 0.22 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 2bmw h LEU 247 Cb 0.06 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 2bmw h LEU 247 CO -0.03 0.71 0.47 -0.25 0.09 0.00 0.00 178.44 179.42 2bmw h TRP 248 N 0.39 1.00 -1.01 1.13 2.91 -0.83 -0.27 115.95 119.27 2bmw h TRP 248 Ca 0.10 0.00 0.05 0.00 1.13 0.00 0.00 58.89 60.16 2bmw h TRP 248 Cb 0.41 -0.33 -0.06 0.00 -0.51 0.00 0.00 29.16 28.67 2bmw h TRP 248 CO 0.03 0.67 0.66 1.96 -1.03 0.00 0.00 178.44 180.73 2bmw h GLN 249 N 1.05 1.21 -0.27 2.65 4.20 -1.03 -1.83 115.11 121.09 2bmw h GLN 249 Ca 0.28 -0.07 -0.19 0.00 0.06 0.00 0.00 58.65 58.73 2bmw h GLN 249 Cb -0.05 -0.27 0.00 0.00 0.30 0.00 0.00 27.48 27.46 2bmw h GLN 249 CO -0.05 0.80 -0.56 -0.07 -0.67 0.00 0.00 178.83 178.28 2bmw h LEU 250 N 1.25 0.95 -2.11 1.46 3.38 -0.96 -3.16 115.31 116.13 2bmw h LEU 250 Ca 0.41 -0.54 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 2bmw h LEU 250 Cb 0.05 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 2bmw h LEU 250 CO -0.14 1.32 -0.05 0.40 0.09 0.00 0.00 178.44 180.07 2bmw h ILE 251 N 0.63 0.79 0.00 1.22 2.04 -0.42 -2.19 117.51 119.58 2bmw h ILE 251 Ca 0.01 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.70 2bmw h ILE 251 Cb 1.17 1.10 0.00 0.00 -0.74 0.00 0.00 36.82 38.35 2bmw h ILE 251 CO 0.12 0.04 0.00 0.11 0.00 0.00 0.00 178.15 178.43 2bmw h LYS 252 N 0.00 0.00 -6.50 2.37 1.57 -1.32 -3.43 116.57 109.26 2bmw h LYS 252 Ca -0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 2bmw h LYS 252 Cb 0.09 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.41 2bmw h LYS 252 CO 0.01 0.00 0.62 1.21 -0.57 0.00 0.00 179.45 180.71 2bmw s ASN 253 N -4.94 7.00 0.65 0.86 3.84 -0.82 -4.91 114.94 116.63 2bmw s ASN 253 Ca -0.00 2.11 0.36 0.00 0.21 0.00 0.00 52.86 55.54 2bmw s ASN 253 Cb 0.10 -2.58 2.00 0.00 -0.55 0.00 0.00 41.25 40.21 2bmw s ASN 253 CO 0.42 -0.53 2.16 0.06 -2.79 0.00 0.00 177.10 176.41 2bmw h GLN 254 N 6.83 0.00 -0.26 0.43 3.07 -1.89 -1.62 115.11 121.67 2bmw h GLN 254 Ca -0.42 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.32 2bmw h GLN 254 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.77 2bmw h GLN 254 CO 0.83 0.00 0.00 1.63 0.09 0.00 0.00 178.83 181.38 2bmw n LYS 255 N -3.14 2.31 -2.90 0.06 5.02 -1.26 -4.96 118.16 113.29 2bmw n LYS 255 Ca -0.02 -2.09 -0.40 0.00 -2.02 0.00 0.00 58.31 53.78 2bmw n LYS 255 Cb 0.23 -1.46 -0.05 0.00 -0.02 0.00 0.00 35.03 33.73 2bmw n LYS 255 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2bmw s THR 256 N -1.56 4.64 0.01 -0.18 2.01 -0.61 -2.99 115.64 116.96 2bmw s THR 256 Ca 0.33 1.78 0.09 0.00 0.31 0.00 0.00 61.69 64.19 2bmw s THR 256 Cb 0.20 -4.18 -0.02 0.00 0.01 0.00 0.00 72.50 68.51 2bmw s THR 256 CO 0.29 0.36 -0.26 -1.00 -0.69 0.00 0.00 174.62 173.32 2bmw s HIS 257 N -0.09 2.34 -0.04 4.92 3.76 -0.08 -4.90 115.29 121.19 2bmw s HIS 257 Ca 0.41 -0.42 0.06 0.00 -0.15 0.00 0.00 55.06 54.96 2bmw s HIS 257 Cb -0.22 -1.45 -0.01 0.00 1.11 0.00 0.00 32.58 32.02 2bmw s HIS 257 CO 0.25 0.05 -0.22 0.99 -0.85 0.00 0.00 174.74 174.97 2bmw s THR 258 N -0.72 1.80 -0.08 1.30 2.01 -0.65 -0.80 115.64 118.50 2bmw s THR 258 Ca 0.11 -0.94 0.04 0.00 0.31 0.00 0.00 61.69 61.21 2bmw s THR 258 Cb -0.10 -1.52 0.00 0.00 0.01 0.00 0.00 72.50 70.90 2bmw s THR 258 CO 0.01 0.51 -0.20 -0.31 -0.69 0.00 0.00 174.62 173.94 2bmw s TYR 259 N -0.21 2.13 -0.13 4.92 1.51 0.59 -0.58 117.35 125.58 2bmw s TYR 259 Ca -0.00 -0.81 0.02 0.00 -1.01 0.00 0.00 57.07 55.26 2bmw s TYR 259 Cb -0.12 -1.45 0.02 0.00 -0.11 0.00 0.00 41.96 40.30 2bmw s TYR 259 CO 0.02 -0.34 -0.17 0.42 -1.11 0.00 0.00 175.55 174.38 2bmw s ILE 260 N 0.38 1.66 -0.08 2.71 1.01 0.32 -0.60 121.20 126.60 2bmw s ILE 260 Ca -0.15 -0.73 -0.04 0.00 0.00 0.00 0.00 60.65 59.73 2bmw s ILE 260 Cb -0.16 -1.52 0.04 0.00 0.01 0.00 0.00 42.46 40.83 2bmw s ILE 260 CO 0.06 0.47 0.18 0.00 0.00 0.00 0.00 174.94 175.66 2bmw n GLY 262 N 4.10 0.16 3.77 0.00 0.00 -1.14 -1.59 105.19 110.48 2bmw n GLY 262 Ca -0.25 -1.37 -0.40 0.00 0.00 0.00 0.00 46.02 44.00 2bmw n GLY 262 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2bmw s PRO 263 N -2.00 3.93 0.31 1.61 0.02 -1.26 -2.10 135.00 135.51 2bmw s PRO 263 Ca 0.00 2.42 0.07 0.00 0.02 0.00 0.00 61.00 63.51 2bmw s PRO 263 Cb 0.00 -2.82 0.76 0.00 0.02 0.00 0.00 34.50 32.47 2bmw s PRO 263 CO 0.00 -0.62 1.78 -1.35 -0.33 0.00 0.00 177.00 176.49 2bmw h PRO 264 N 2.71 0.72 0.00 5.54 0.11 -1.88 -1.81 132.00 137.38 2bmw h PRO 264 Ca -0.50 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.56 2bmw h PRO 264 Cb 1.25 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2bmw h PRO 264 CO 0.63 0.48 0.00 -2.30 -0.21 0.00 0.00 178.00 176.59 2bmw n PRO 265 N -4.74 0.01 0.19 1.05 -0.02 -1.26 -2.87 135.00 127.37 2bmw n PRO 265 Ca 0.23 0.44 0.06 0.00 -2.02 0.00 0.00 63.50 62.20 2bmw n PRO 265 Cb 0.58 -1.53 0.37 0.00 -0.02 0.00 0.00 33.50 32.89 2bmw n PRO 265 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2bmw h MET 266 N 0.00 0.00 -0.50 -0.52 -0.00 -1.70 -3.29 114.93 108.93 2bmw h MET 266 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.68 2bmw h MET 266 Cb 0.08 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 31.66 2bmw h MET 266 CO 0.00 0.36 0.23 0.93 -0.00 0.00 0.00 176.91 178.43 2bmw h GLU 267 N 0.00 0.73 -0.19 -0.10 5.08 -1.74 -3.07 114.58 115.29 2bmw h GLU 267 Ca -0.00 -0.12 0.05 0.00 -1.00 0.00 0.00 59.36 58.29 2bmw h GLU 267 Cb 0.83 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.90 2bmw h GLU 267 CO 0.05 0.62 -0.15 1.49 -1.00 0.00 0.00 179.01 180.02 2bmw h GLU 268 N 0.66 -0.15 -0.44 2.33 4.81 -1.80 -0.98 114.58 119.02 2bmw h GLU 268 Ca 0.17 0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.35 2bmw h GLU 268 Cb 0.15 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 2bmw h GLU 268 CO -0.02 -0.10 0.02 0.78 -0.73 0.00 0.00 179.01 178.96 2bmw h GLY 269 N -0.15 0.76 0.93 1.92 0.00 -1.74 -1.62 103.07 103.17 2bmw h GLY 269 Ca 0.12 -0.48 -0.06 0.00 0.00 0.00 0.00 47.33 46.91 2bmw h GLY 269 CO -0.28 0.44 0.00 -2.22 0.00 0.00 0.00 176.54 174.48 2bmw h ILE 270 N 0.67 1.26 -0.60 2.60 2.04 -1.36 -2.10 117.51 120.01 2bmw h ILE 270 Ca 0.14 -0.99 -0.08 0.00 1.00 0.00 0.00 64.86 64.93 2bmw h ILE 270 Cb 0.39 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 2bmw h ILE 270 CO 0.01 0.33 0.05 0.44 0.00 0.00 0.00 178.15 178.98 2bmw h ASP 271 N 0.49 0.98 -0.79 1.72 3.32 -0.97 -1.64 116.42 119.53 2bmw h ASP 271 Ca 0.11 -0.25 -0.04 0.00 0.02 0.00 0.00 57.03 56.87 2bmw h ASP 271 Cb 0.46 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.72 2bmw h ASP 271 CO 0.02 1.00 0.33 0.00 -1.72 0.00 0.00 179.24 178.87 2bmw h ALA 272 N 1.10 1.03 0.05 3.45 0.00 -1.18 0.13 119.26 123.84 2bmw h ALA 272 Ca 0.18 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2bmw h ALA 272 Cb 0.48 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2bmw h ALA 272 CO 0.02 0.64 -0.03 0.00 0.00 0.00 0.00 179.25 179.89 2bmw h ALA 273 N 1.17 -0.07 -0.08 0.00 0.00 -1.12 -2.52 119.26 116.64 2bmw h ALA 273 Ca 0.27 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 2bmw h ALA 273 Cb 0.20 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2bmw h ALA 273 CO -0.02 -0.41 -0.31 -0.07 0.00 0.00 0.00 179.25 178.43 2bmw h LEU 274 N -0.33 0.15 -0.66 0.00 3.38 -1.20 -2.70 115.31 113.96 2bmw h LEU 274 Ca -0.01 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 2bmw h LEU 274 Cb 0.30 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 2bmw h LEU 274 CO 0.01 0.47 0.26 -1.28 0.09 0.00 0.00 178.44 177.99 2bmw h SER 275 N 0.13 0.91 -0.28 -0.43 0.87 -0.64 -0.19 113.55 113.94 2bmw h SER 275 Ca 0.02 -0.17 -0.08 0.00 -1.23 0.00 0.00 61.79 60.32 2bmw h SER 275 Cb 0.63 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.33 2bmw h SER 275 CO 0.05 0.84 -0.11 0.00 -0.53 0.00 0.00 176.83 177.08 2bmw h ALA 276 N 1.11 1.09 -0.06 6.23 0.00 -1.19 -1.47 119.26 124.97 2bmw h ALA 276 Ca 0.22 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 2bmw h ALA 276 Cb 0.22 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 2bmw h ALA 276 CO -0.02 0.57 -0.05 0.00 0.00 0.00 0.00 179.25 179.75 2bmw h ALA 277 N 1.26 0.08 -0.44 0.00 0.00 -1.14 -3.22 119.26 115.80 2bmw h ALA 277 Ca 0.11 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 2bmw h ALA 277 Cb 0.55 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2bmw h ALA 277 CO 0.03 -0.13 0.09 0.00 0.00 0.00 0.00 179.25 179.24 2bmw h ALA 278 N 0.56 1.34 -0.05 0.00 0.00 -1.00 -2.61 119.26 117.50 2bmw h ALA 278 Ca 0.01 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.75 2bmw h ALA 278 Cb 0.55 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 2bmw h ALA 278 CO 0.01 0.47 0.04 0.00 0.00 0.00 0.00 179.25 179.77 2bmw h ALA 279 N 1.46 1.96 0.00 0.00 0.00 -1.03 -0.78 119.26 120.86 2bmw h ALA 279 Ca 0.14 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2bmw h ALA 279 Cb 0.27 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 2bmw h ALA 279 CO -0.00 -0.06 -0.03 0.87 0.00 0.00 0.00 179.25 180.02 2bmw h LYS 280 N 0.00 0.00 -0.34 0.00 1.57 -1.49 -1.27 116.57 115.04 2bmw h LYS 280 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2bmw h LYS 280 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.41 2bmw h LYS 280 CO -0.00 0.03 0.00 0.39 -0.57 0.00 0.00 179.45 179.30 2bmw n GLU 281 N -3.45 3.21 -1.75 3.15 1.02 -0.37 -4.95 120.64 117.50 2bmw n GLU 281 Ca -0.02 -2.74 -0.08 0.00 -0.02 0.00 0.00 57.16 54.29 2bmw n GLU 281 Cb 0.14 -1.79 -0.02 0.00 -0.02 0.00 0.00 31.44 29.75 2bmw n GLU 281 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2bmw n GLY 282 N -0.06 0.47 3.48 0.62 0.00 -0.48 -5.03 105.19 104.19 2bmw n GLY 282 Ca 0.21 -0.60 -0.33 0.00 0.00 0.00 0.00 46.02 45.30 2bmw n GLY 282 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bmw s VAL 283 N -2.36 3.35 -0.47 1.61 1.01 -0.79 -4.99 120.40 117.75 2bmw s VAL 283 Ca 0.00 -0.59 -0.19 0.00 0.00 0.00 0.00 61.98 61.20 2bmw s VAL 283 Cb 0.00 -2.38 0.04 0.00 0.00 0.00 0.00 36.38 34.04 2bmw s VAL 283 CO 0.00 0.56 0.59 -0.89 0.00 0.00 0.00 175.10 175.37 2bmw s THR 284 N -0.29 4.90 0.23 3.92 2.01 -1.26 -2.67 115.64 122.48 2bmw s THR 284 Ca 0.03 -0.29 -0.08 0.00 0.31 0.00 0.00 61.69 61.66 2bmw s THR 284 Cb -0.13 -4.22 0.20 0.00 0.01 0.00 0.00 72.50 68.36 2bmw s THR 284 CO 0.03 -0.67 1.69 -0.25 -0.69 0.00 0.00 174.62 174.72 2bmw h TRP 285 N 8.91 0.21 -0.85 4.92 2.91 -1.88 -1.35 115.95 128.82 2bmw h TRP 285 Ca -0.27 0.04 0.13 0.00 1.13 0.00 0.00 58.89 59.93 2bmw h TRP 285 Cb 1.10 0.01 -0.06 0.00 -0.51 0.00 0.00 29.16 29.69 2bmw h TRP 285 CO 0.72 -0.07 0.55 0.66 -1.03 0.00 0.00 178.44 179.27 2bmw h SER 286 N 0.25 0.61 0.03 2.65 4.64 -1.94 0.38 113.55 120.18 2bmw h SER 286 Ca 0.36 0.03 -0.16 0.00 -0.47 0.00 0.00 61.79 61.55 2bmw h SER 286 Cb 0.58 -0.09 0.01 0.00 -0.31 0.00 0.00 62.40 62.60 2bmw h SER 286 CO -0.47 0.32 -0.65 0.44 -0.87 0.00 0.00 176.83 175.60 2bmw h ASP 287 N 0.66 0.52 -0.84 4.97 3.32 -1.70 -2.75 116.42 120.58 2bmw h ASP 287 Ca 0.42 -0.81 0.01 0.00 0.02 0.00 0.00 57.03 56.67 2bmw h ASP 287 Cb 0.68 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 40.03 2bmw h ASP 287 CO -0.18 1.26 0.55 0.22 -1.72 0.00 0.00 179.24 179.38 2bmw h TYR 288 N -0.17 1.07 -0.83 4.55 3.20 -0.67 -2.23 116.97 121.89 2bmw h TYR 288 Ca -0.09 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.78 2bmw h TYR 288 Cb 1.40 -0.36 -0.04 0.00 1.54 0.00 0.00 36.73 39.27 2bmw h TYR 288 CO 0.16 0.68 0.43 0.37 -1.64 0.00 0.00 178.16 178.16 2bmw h GLN 289 N 1.15 1.18 -0.94 1.82 4.15 -0.32 -1.57 115.11 120.57 2bmw h GLN 289 Ca 0.31 -0.15 0.02 0.00 0.77 0.00 0.00 58.65 59.60 2bmw h GLN 289 Cb -0.12 -0.22 -0.05 0.00 0.21 0.00 0.00 27.48 27.29 2bmw h GLN 289 CO -0.07 0.88 0.62 0.87 -1.93 0.00 0.00 178.83 179.20 2bmw h LYS 290 N 1.17 1.20 -0.29 1.69 1.57 -1.09 0.06 116.57 120.88 2bmw h LYS 290 Ca 0.29 -0.07 -0.14 0.00 -1.87 0.00 0.00 60.65 58.86 2bmw h LYS 290 Cb 0.07 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.10 2bmw h LYS 290 CO -0.04 0.79 -0.40 -0.44 -0.57 0.00 0.00 179.45 178.79 2bmw h ASP 291 N 1.23 0.74 -0.57 0.86 3.32 -1.14 -1.61 116.42 119.25 2bmw h ASP 291 Ca 0.35 -0.33 -0.04 0.00 0.02 0.00 0.00 57.03 57.03 2bmw h ASP 291 Cb -0.09 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.23 2bmw h ASP 291 CO -0.09 1.05 0.18 -0.07 -1.72 0.00 0.00 179.24 178.59 2bmw h LEU 292 N 0.57 0.83 -0.57 1.55 3.38 -0.48 -0.74 115.31 119.85 2bmw h LEU 292 Ca 0.05 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 2bmw h LEU 292 Cb 0.93 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.44 2bmw h LEU 292 CO 0.08 0.81 0.22 0.11 0.09 0.00 0.00 178.44 179.75 2bmw h LYS 293 N 0.80 0.86 -0.12 1.13 1.57 -0.88 0.91 116.57 120.85 2bmw h LYS 293 Ca 0.19 -0.16 -0.04 0.00 -1.87 0.00 0.00 60.65 58.76 2bmw h LYS 293 Cb 0.27 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 2bmw h LYS 293 CO -0.01 0.75 -0.12 -0.22 -0.57 0.00 0.00 179.45 179.28 2bmw h LYS 294 N 0.79 0.18 -0.00 3.15 3.64 -1.00 -1.27 116.57 122.05 2bmw h LYS 294 Ca 0.19 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 2bmw h LYS 294 Cb 0.22 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 2bmw h LYS 294 CO -0.01 0.31 -0.11 0.00 -2.27 0.00 0.00 179.45 177.37 2bmw n ALA 295 N -2.50 2.77 -2.15 5.00 0.00 -0.31 -4.92 120.51 118.40 2bmw n ALA 295 Ca -0.01 -0.29 -0.05 0.00 0.00 0.00 0.00 53.44 53.08 2bmw n ALA 295 Cb 0.24 -1.31 -0.00 0.00 0.00 0.00 0.00 19.45 18.38 2bmw n ALA 295 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bmw n GLY 296 N 1.26 0.18 0.27 0.00 0.00 -0.48 -4.95 105.19 101.47 2bmw n GLY 296 Ca 0.15 -0.64 0.03 0.00 0.00 0.00 0.00 46.02 45.56 2bmw n GLY 296 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bmw n ARG 297 N -1.53 1.29 -3.89 1.61 1.74 0.21 -4.85 116.66 111.24 2bmw n ARG 297 Ca -0.06 -1.29 -0.30 0.00 -0.77 0.00 0.00 57.85 55.43 2bmw n ARG 297 Cb 0.55 -1.12 -0.15 0.00 -1.02 0.00 0.00 32.46 30.71 2bmw n ARG 297 CO 0.00 0.00 0.00 -0.46 -1.52 0.00 0.00 177.63 175.65 2bmw s TRP 298 N -0.72 2.69 -0.23 -1.55 -0.11 -1.22 -1.63 118.94 116.16 2bmw s TRP 298 Ca 0.09 -2.27 -0.08 0.00 1.22 0.00 0.00 56.10 55.06 2bmw s TRP 298 Cb 0.05 -2.19 -0.04 0.00 -1.50 0.00 0.00 33.47 29.79 2bmw s TRP 298 CO 0.08 -0.89 0.10 -1.01 -4.62 0.00 0.00 176.95 170.61 2bmw s HIS 299 N 1.28 3.18 -0.03 5.86 3.76 0.26 -4.68 115.29 124.91 2bmw s HIS 299 Ca 0.07 -0.11 0.04 0.00 -0.15 0.00 0.00 55.06 54.91 2bmw s HIS 299 Cb -0.18 -2.22 -0.00 0.00 1.11 0.00 0.00 32.58 31.28 2bmw s HIS 299 CO -0.15 -0.13 -0.14 0.08 -0.85 0.00 0.00 174.74 173.55 2bmw s VAL 300 N 1.22 1.20 -0.31 -0.90 1.01 -1.26 -0.52 120.40 120.83 2bmw s VAL 300 Ca 0.05 -0.60 0.01 0.00 0.00 0.00 0.00 61.98 61.44 2bmw s VAL 300 Cb -0.14 -1.03 0.14 0.00 0.00 0.00 0.00 36.38 35.35 2bmw s VAL 300 CO 0.04 0.35 0.32 -0.70 0.00 0.00 0.00 175.10 175.11 2bmw s GLU 301 N -0.02 0.41 0.15 2.72 2.12 -0.12 -4.94 118.70 119.03 2bmw s GLU 301 Ca -0.01 -0.34 0.10 0.00 0.36 0.00 0.00 54.97 55.08 2bmw s GLU 301 Cb -0.09 -0.67 -0.04 0.00 0.26 0.00 0.00 34.13 33.58 2bmw s GLU 301 CO 0.01 -1.08 -0.21 0.95 -0.54 0.00 0.00 175.26 174.39 2bmw s THR 302 N 2.10 2.58 0.00 -1.70 -4.23 -1.26 -2.89 115.64 110.24 2bmw s THR 302 Ca 0.11 -1.76 0.00 0.00 -1.18 0.00 0.00 61.69 58.86 2bmw s THR 302 Cb -0.14 -2.20 0.00 0.00 1.34 0.00 0.00 72.50 71.49 2bmw s THR 302 CO -0.25 -0.00 0.00 0.00 -0.54 0.00 0.00 174.62 173.83