#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x5a s VAL 2 N 0.00 3.45 0.13 0.00 1.01 -1.26 -4.49 120.40 119.23 2x5a s VAL 2 Ca 0.00 0.47 -0.30 0.00 0.00 0.00 0.00 61.98 62.15 2x5a s VAL 2 Cb 0.00 -3.45 -0.07 0.00 0.00 0.00 0.00 36.38 32.86 2x5a s VAL 2 CO 0.00 -0.61 1.16 0.00 0.00 0.00 0.00 175.10 175.64 2x5a s ARG 3 N -5.35 4.50 -0.33 2.72 3.03 -1.26 -4.75 118.95 117.52 2x5a s ARG 3 Ca 0.58 1.76 -0.08 0.00 2.03 0.00 0.00 55.73 60.03 2x5a s ARG 3 Cb -0.11 -3.30 0.02 0.00 -1.03 0.00 0.00 34.95 30.52 2x5a s ARG 3 CO 0.52 -0.10 0.12 -0.65 -1.13 0.00 0.00 175.30 174.06 2x5a s GLN 4 N 0.29 2.95 -0.15 3.89 -1.52 0.11 -4.96 119.66 120.26 2x5a s GLN 4 Ca 0.54 -0.97 -0.07 0.00 -1.95 0.00 0.00 55.36 52.92 2x5a s GLN 4 Cb -0.30 -3.50 -0.04 0.00 -0.22 0.00 0.00 33.01 28.95 2x5a s GLN 4 CO 0.33 -0.55 0.08 0.71 -0.25 0.00 0.00 175.29 175.61 2x5a s TYR 5 N 1.50 3.34 -0.05 0.91 2.02 -1.26 -1.43 117.35 122.39 2x5a s TYR 5 Ca 0.02 0.24 -0.02 0.00 -0.37 0.00 0.00 57.07 56.94 2x5a s TYR 5 Cb -0.18 -2.00 0.04 0.00 -0.40 0.00 0.00 41.96 39.41 2x5a s TYR 5 CO 0.04 0.38 0.10 0.15 -1.57 0.00 0.00 175.55 174.65 2x5a s LYS 6 N -0.21 0.03 -0.31 -0.62 1.02 -1.16 -3.07 119.74 115.43 2x5a s LYS 6 Ca 0.08 0.33 -0.15 0.00 0.02 0.00 0.00 55.97 56.25 2x5a s LYS 6 Cb -0.12 -0.23 -0.02 0.00 -0.52 0.00 0.00 37.83 36.93 2x5a s LYS 6 CO 0.01 -0.19 0.39 0.42 -0.92 0.00 0.00 175.35 175.06 2x5a s ILE 7 N 1.30 5.15 -0.17 2.17 -1.09 -0.43 -0.69 121.20 127.44 2x5a s ILE 7 Ca -0.07 0.35 -0.05 0.00 -2.23 0.00 0.00 60.65 58.66 2x5a s ILE 7 Cb -0.12 -3.77 -0.03 0.00 -1.58 0.00 0.00 42.46 36.96 2x5a s ILE 7 CO -0.05 0.02 -0.01 -1.00 -1.23 0.00 0.00 174.94 172.67 2x5a s HIS 8 N 2.09 3.07 -0.03 3.97 3.76 0.90 -0.38 115.29 128.66 2x5a s HIS 8 Ca 0.14 -0.27 -0.22 0.00 -0.15 0.00 0.00 55.06 54.56 2x5a s HIS 8 Cb -0.16 -2.01 -0.16 0.00 1.11 0.00 0.00 32.58 31.36 2x5a s HIS 8 CO 0.11 -0.05 0.99 1.79 -0.85 0.00 0.00 174.74 176.73 2x5a h THR 9 N 5.16 0.81 -2.52 1.30 1.35 -1.79 -0.36 112.91 116.86 2x5a h THR 9 Ca -0.33 -0.97 -0.59 0.00 -0.55 0.00 0.00 66.41 63.97 2x5a h THR 9 Cb 1.18 1.31 -0.39 0.00 -1.73 0.00 0.00 68.15 68.52 2x5a h THR 9 CO 0.64 0.19 -0.89 0.21 -0.25 0.00 0.00 175.52 175.41 2x5a s ASN 10 N -5.36 2.20 0.36 5.36 2.47 -1.26 -4.56 114.94 114.15 2x5a s ASN 10 Ca -0.13 -3.02 -0.28 0.00 0.42 0.00 0.00 52.86 49.85 2x5a s ASN 10 Cb 0.01 -0.62 -0.10 0.00 -1.45 0.00 0.00 41.25 39.09 2x5a s ASN 10 CO 0.50 -0.18 1.37 -0.22 -3.72 0.00 0.00 177.10 174.85 2x5a s LEU 11 N 0.03 4.34 -0.00 3.21 0.20 -1.26 -1.93 118.68 123.26 2x5a s LEU 11 Ca 0.29 2.82 0.00 0.00 0.69 0.00 0.00 54.13 57.93 2x5a s LEU 11 Cb -0.03 -3.71 0.00 0.00 -0.43 0.00 0.00 46.19 42.03 2x5a s LEU 11 CO -0.15 -0.73 0.00 -0.90 -0.29 0.00 0.00 176.35 174.28 2x5a n ASP 12 N 0.54 -3.11 -4.20 3.68 3.85 -1.26 -5.02 116.55 111.02 2x5a n ASP 12 Ca 0.01 0.00 -0.19 0.00 -0.71 0.00 0.00 54.79 53.90 2x5a n ASP 12 Cb 0.41 -0.62 -0.12 0.00 -1.35 0.00 0.00 41.12 39.45 2x5a n ASP 12 CO 0.00 0.00 0.00 -0.83 -1.01 0.00 0.00 177.20 175.36 2x5a s GLY 13 N -2.03 0.97 0.29 6.12 0.00 -0.81 -5.06 107.32 106.79 2x5a s GLY 13 Ca 0.00 -1.12 -0.01 0.00 0.00 0.00 0.00 44.72 43.59 2x5a s GLY 13 CO 0.00 -1.15 1.86 -0.91 0.00 0.00 0.00 173.10 172.90 2x5a h THR 14 N 4.03 1.22 -0.73 0.90 1.35 -1.96 -3.27 112.91 114.46 2x5a h THR 14 Ca -0.41 -0.70 -0.64 0.00 -0.55 0.00 0.00 66.41 64.12 2x5a h THR 14 Cb 1.19 0.52 -0.09 0.00 -1.73 0.00 0.00 68.15 68.04 2x5a h THR 14 CO 0.43 0.27 2.24 -0.90 -0.25 0.00 0.00 175.52 177.32 2x5a n ASP 15 N -4.31 7.76 -4.26 5.36 5.68 -1.26 -4.92 116.55 120.59 2x5a n ASP 15 Ca 0.05 -2.94 -0.43 0.00 -0.50 0.00 0.00 54.79 50.97 2x5a n ASP 15 Cb 0.18 -1.40 -0.06 0.00 -1.14 0.00 0.00 41.12 38.69 2x5a n ASP 15 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2x5a s ASP 16 N 1.00 5.99 -0.19 -1.12 2.15 -1.23 -4.32 116.67 118.95 2x5a s ASP 16 Ca 0.60 -1.97 -0.26 0.00 0.43 0.00 0.00 52.55 51.35 2x5a s ASP 16 Cb 0.23 -2.11 -0.01 0.00 -0.30 0.00 0.00 42.92 40.73 2x5a s ASP 16 CO -0.10 -0.74 0.90 -0.75 -0.17 0.00 0.00 175.17 174.31 2x5a s LYS 17 N 1.30 4.28 -0.22 4.34 2.20 -1.26 -4.92 119.74 125.46 2x5a s LYS 17 Ca 0.06 1.13 -0.08 0.00 -0.36 0.00 0.00 55.97 56.72 2x5a s LYS 17 Cb -0.26 -3.60 -0.04 0.00 -1.51 0.00 0.00 37.83 32.42 2x5a s LYS 17 CO 0.00 -0.43 0.08 0.08 -0.36 0.00 0.00 175.35 174.72 2x5a s VAL 18 N 2.50 4.63 -0.24 4.02 1.01 -1.26 -2.59 120.40 128.47 2x5a s VAL 18 Ca 0.40 -0.08 -0.10 0.00 0.00 0.00 0.00 61.98 62.21 2x5a s VAL 18 Cb -0.16 -3.13 -0.05 0.00 0.00 0.00 0.00 36.38 33.04 2x5a s VAL 18 CO 0.11 0.38 0.14 0.26 0.00 0.00 0.00 175.10 175.99 2x5a s TRP 19 N 1.10 3.27 -0.81 5.22 0.52 0.48 -4.98 118.94 123.75 2x5a s TRP 19 Ca 0.05 0.13 -0.18 0.00 0.02 0.00 0.00 56.10 56.12 2x5a s TRP 19 Cb -0.14 -2.26 0.14 0.00 -1.15 0.00 0.00 33.47 30.05 2x5a s TRP 19 CO 0.03 0.00 0.95 0.34 0.02 0.00 0.00 176.95 178.30 2x5a s ASP 20 N 1.13 6.51 0.00 2.95 -1.08 -1.26 -1.32 116.67 123.60 2x5a s ASP 20 Ca 0.07 -1.92 0.31 0.00 -0.52 0.00 0.00 52.55 50.49 2x5a s ASP 20 Cb -0.14 -2.34 1.78 0.00 -1.46 0.00 0.00 42.92 40.76 2x5a s ASP 20 CO 0.05 -1.02 2.17 1.33 0.52 0.00 0.00 175.17 178.21 2x5a n VAL 21 N 5.26 0.00 -0.13 1.11 0.24 -1.18 -0.26 118.33 123.38 2x5a n VAL 21 Ca 0.12 -0.01 -0.20 0.00 -2.04 0.00 0.00 64.34 62.21 2x5a n VAL 21 Cb 0.47 -0.47 -0.11 0.00 -1.47 0.00 0.00 33.84 32.26 2x5a n VAL 21 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 2x5a n THR 22 N -1.05 1.42 -0.07 3.34 -1.04 -1.19 -1.01 114.28 114.69 2x5a n THR 22 Ca 0.21 -0.50 -0.09 0.00 -2.04 0.00 0.00 64.05 61.64 2x5a n THR 22 Cb 0.15 -1.50 -0.08 0.00 -1.82 0.00 0.00 70.33 67.09 2x5a n THR 22 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2x5a n ASN 23 N -3.47 2.61 -3.15 8.00 3.02 -1.23 -4.99 115.26 116.06 2x5a n ASN 23 Ca -0.46 -0.05 -0.19 0.00 -0.03 0.00 0.00 54.58 53.85 2x5a n ASN 23 Cb 0.94 0.12 0.17 0.00 -0.61 0.00 0.00 39.78 40.40 2x5a n ASN 23 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2x5a n GLY 24 N 2.62 -3.22 0.31 7.41 0.00 0.65 -4.96 105.19 108.00 2x5a n GLY 24 Ca -0.24 -1.38 -0.05 0.00 0.00 0.00 0.00 46.02 44.35 2x5a n GLY 24 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2x5a h LYS 25 N 0.00 1.07 -4.87 1.61 1.79 -1.94 -3.39 116.57 110.84 2x5a h LYS 25 Ca -0.25 -0.12 -0.67 0.00 -2.18 0.00 0.00 60.65 57.43 2x5a h LYS 25 Cb 0.80 -0.21 -0.18 0.00 -1.58 0.00 0.00 32.23 31.06 2x5a h LYS 25 CO 0.16 0.79 -0.36 0.08 -1.08 0.00 0.00 179.45 179.03 2x5a s VAL 26 N -5.86 5.22 -0.01 0.50 1.01 -1.26 -0.47 120.40 119.53 2x5a s VAL 26 Ca -0.13 -0.04 0.07 0.00 0.00 0.00 0.00 61.98 61.89 2x5a s VAL 26 Cb 0.15 -3.77 -0.02 0.00 0.00 0.00 0.00 36.38 32.73 2x5a s VAL 26 CO 0.80 -0.05 -0.23 -0.13 0.00 0.00 0.00 175.10 175.49 2x5a s ARG 27 N 1.90 2.11 -0.15 2.72 0.52 0.14 -3.78 118.95 122.42 2x5a s ARG 27 Ca 0.10 -0.93 -0.11 0.00 -0.52 0.00 0.00 55.73 54.27 2x5a s ARG 27 Cb -0.17 -2.10 -0.05 0.00 0.52 0.00 0.00 34.95 33.16 2x5a s ARG 27 CO 0.11 0.56 0.20 -0.06 0.02 0.00 0.00 175.30 176.13 2x5a s PHE 28 N -0.70 3.51 0.06 -0.53 0.40 -0.18 -0.35 117.98 120.20 2x5a s PHE 28 Ca 0.11 0.52 0.00 0.00 -0.60 0.00 0.00 56.93 56.96 2x5a s PHE 28 Cb -0.10 -2.15 -0.04 0.00 0.51 0.00 0.00 43.02 41.24 2x5a s PHE 28 CO 0.00 0.45 -0.04 0.71 0.70 0.00 0.00 175.22 177.04 2x5a s TYR 29 N -0.17 0.63 -0.80 0.36 2.02 -0.53 -4.79 117.35 114.08 2x5a s TYR 29 Ca 0.14 -0.96 -0.02 0.00 -0.37 0.00 0.00 57.07 55.86 2x5a s TYR 29 Cb -0.12 -0.42 0.00 0.00 -0.40 0.00 0.00 41.96 41.02 2x5a s TYR 29 CO 0.03 -0.28 0.62 1.04 -1.57 0.00 0.00 175.55 175.39 2x5a n GLN 30 N 0.21 -1.54 -1.85 -0.62 6.02 -1.26 0.18 117.38 118.51 2x5a n GLN 30 Ca -0.14 0.90 -0.41 0.00 -0.01 0.00 0.00 57.00 57.34 2x5a n GLN 30 Cb 0.60 -2.80 -0.01 0.00 1.02 0.00 0.00 30.24 29.05 2x5a n GLN 30 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2x5a s PRO 31 N -4.54 4.16 0.05 -1.09 0.04 -1.26 -4.33 135.00 128.03 2x5a s PRO 31 Ca 0.02 2.50 -0.30 0.00 0.04 0.00 0.00 61.00 63.26 2x5a s PRO 31 Cb -0.00 -3.03 -0.16 0.00 0.04 0.00 0.00 34.50 31.34 2x5a s PRO 31 CO 0.87 -0.54 1.45 0.66 0.04 0.00 0.00 177.00 179.48 2x5a h SER 32 N 4.48 -0.95 -3.29 6.66 4.64 -1.66 -3.45 113.55 119.98 2x5a h SER 32 Ca -0.48 0.04 -0.20 0.00 -0.47 0.00 0.00 61.79 60.69 2x5a h SER 32 Cb 1.22 0.26 -0.30 0.00 -0.31 0.00 0.00 62.40 63.27 2x5a h SER 32 CO 0.76 -0.64 -0.49 0.21 -0.87 0.00 0.00 176.83 175.80 2x5a s ASN 33 N -3.63 -0.18 0.00 4.97 2.47 -1.26 -5.01 114.94 112.30 2x5a s ASN 33 Ca -0.16 0.53 0.13 0.00 0.42 0.00 0.00 52.86 53.78 2x5a s ASN 33 Cb 0.02 0.44 0.06 0.00 -1.45 0.00 0.00 41.25 40.32 2x5a s ASN 33 CO 0.47 -0.17 0.85 0.18 -3.72 0.00 0.00 177.10 174.71 2x5a n LEU 34 N 4.37 1.84 0.00 3.21 4.77 -1.26 -4.70 117.00 125.23 2x5a n LEU 34 Ca -0.23 -0.91 0.00 0.00 -0.03 0.00 0.00 56.01 54.84 2x5a n LEU 34 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 2x5a n LEU 34 CO 0.13 0.35 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 2x5a n GLY 35 N 0.86 0.88 3.66 -0.72 0.00 -1.26 -4.85 105.19 103.76 2x5a n GLY 35 Ca 0.07 -1.44 -0.09 0.00 0.00 0.00 0.00 46.02 44.56 2x5a n GLY 35 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2x5a s LEU 36 N 0.00 0.25 0.05 0.99 0.05 -1.26 -4.80 118.68 113.96 2x5a s LEU 36 Ca 0.00 -0.95 -0.09 0.00 0.05 0.00 0.00 54.13 53.13 2x5a s LEU 36 Cb 0.00 2.04 0.00 0.00 -2.05 0.00 0.00 46.19 46.18 2x5a s LEU 36 CO 0.00 -1.26 0.20 0.00 -0.55 0.00 0.00 176.35 174.74 2x5a s GLN 37 N -3.71 0.74 0.14 1.48 -2.07 -1.13 -5.04 119.66 110.08 2x5a s GLN 37 Ca 0.20 -0.72 -0.08 0.00 -1.82 0.00 0.00 55.36 52.94 2x5a s GLN 37 Cb -0.02 0.31 -0.01 0.00 -1.09 0.00 0.00 33.01 32.19 2x5a s GLN 37 CO 0.10 -0.22 0.23 -1.54 -1.32 0.00 0.00 175.29 172.54 2x5a s SER 38 N -2.32 0.10 -0.15 12.60 1.04 -1.26 -0.49 113.70 123.22 2x5a s SER 38 Ca -0.02 -0.86 -0.01 0.00 0.48 0.00 0.00 55.95 55.54 2x5a s SER 38 Cb 0.01 0.39 -0.01 0.00 0.10 0.00 0.00 66.02 66.51 2x5a s SER 38 CO -0.06 -0.83 -0.11 0.28 0.98 0.00 0.00 173.24 173.50 2x5a s THR 39 N -3.95 3.16 -2.06 2.02 -1.32 -1.10 -4.95 115.64 107.44 2x5a s THR 39 Ca 0.15 -0.61 0.18 0.00 -1.21 0.00 0.00 61.69 60.20 2x5a s THR 39 Cb 0.04 -2.36 0.25 0.00 -1.51 0.00 0.00 72.50 68.93 2x5a s THR 39 CO -0.02 0.50 1.18 0.59 -2.21 0.00 0.00 174.62 174.66 2x5a n ASN 40 N 3.80 2.83 -4.07 8.08 3.02 -1.26 -1.77 115.26 125.89 2x5a n ASN 40 Ca -0.18 -1.84 -0.29 0.00 -0.03 0.00 0.00 54.58 52.25 2x5a n ASN 40 Cb 0.52 -0.12 -0.03 0.00 -0.61 0.00 0.00 39.78 39.54 2x5a n ASN 40 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2x5a n ASN 41 N 1.07 -0.82 -4.58 6.41 3.02 -1.26 -2.92 115.26 116.17 2x5a n ASN 41 Ca 0.13 -1.05 -0.43 0.00 -0.03 0.00 0.00 54.58 53.21 2x5a n ASN 41 Cb 0.48 -2.78 -0.04 0.00 -0.61 0.00 0.00 39.78 36.83 2x5a n ASN 41 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2x5a s ILE 42 N -3.86 4.56 -0.11 2.41 1.01 -1.26 -2.78 121.20 121.16 2x5a s ILE 42 Ca 0.17 0.93 -0.04 0.00 0.00 0.00 0.00 60.65 61.72 2x5a s ILE 42 Cb -0.10 -4.36 -0.03 0.00 0.01 0.00 0.00 42.46 37.98 2x5a s ILE 42 CO 0.91 -0.65 0.03 -1.66 0.00 0.00 0.00 174.94 173.57 2x5a s TRP 43 N 3.53 3.22 -0.11 3.97 1.48 -0.90 -4.97 118.94 125.15 2x5a s TRP 43 Ca 0.36 0.16 0.02 0.00 -1.06 0.00 0.00 56.10 55.59 2x5a s TRP 43 Cb -0.11 -1.88 -0.01 0.00 -1.16 0.00 0.00 33.47 30.31 2x5a s TRP 43 CO 0.22 0.39 -0.19 -0.65 -4.06 0.00 0.00 176.95 172.66 2x5a s GLN 44 N -0.54 3.11 -0.22 3.25 -0.21 -1.26 -1.63 119.66 122.16 2x5a s GLN 44 Ca 0.10 -0.79 -0.03 0.00 0.02 0.00 0.00 55.36 54.66 2x5a s GLN 44 Cb -0.12 -2.44 -0.00 0.00 1.00 0.00 0.00 33.01 31.45 2x5a s GLN 44 CO 0.02 0.24 -0.07 0.45 -2.12 0.00 0.00 175.29 173.82 2x5a s SER 45 N 0.22 4.11 -1.52 5.90 0.15 -0.20 -4.78 113.70 117.58 2x5a s SER 45 Ca -0.12 -0.46 -0.05 0.00 0.70 0.00 0.00 55.95 56.03 2x5a s SER 45 Cb -0.16 -1.69 0.04 0.00 -1.71 0.00 0.00 66.02 62.50 2x5a s SER 45 CO 0.06 -0.02 0.40 -3.20 1.20 0.00 0.00 173.24 171.68 2x5a n ASN 46 N 4.76 -0.64 0.00 5.45 5.15 -1.26 -1.25 115.26 127.47 2x5a n ASN 46 Ca -0.19 -1.08 0.00 0.00 -0.60 0.00 0.00 54.58 52.71 2x5a n ASN 46 Cb 0.50 -2.58 0.00 0.00 -0.53 0.00 0.00 39.78 37.17 2x5a n ASN 46 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2x5a n GLY 47 N -1.98 3.03 3.76 8.20 0.00 -1.26 -5.00 105.19 111.94 2x5a n GLY 47 Ca -0.22 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.40 2x5a n GLY 47 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2x5a s ILE 48 N -1.29 4.56 -0.19 -0.61 1.01 -0.38 -5.06 121.20 119.24 2x5a s ILE 48 Ca 0.00 1.64 -0.08 0.00 0.00 0.00 0.00 60.65 62.21 2x5a s ILE 48 Cb 0.00 -4.11 -0.04 0.00 0.01 0.00 0.00 42.46 38.31 2x5a s ILE 48 CO 0.00 0.45 0.08 -0.83 0.00 0.00 0.00 174.94 174.65 2x5a s GLY 49 N -0.64 1.95 -0.23 6.18 0.00 -1.26 -1.04 107.32 112.28 2x5a s GLY 49 Ca 0.37 -0.74 -0.05 0.00 0.00 0.00 0.00 44.72 44.30 2x5a s GLY 49 CO 0.24 0.09 0.00 0.14 0.00 0.00 0.00 173.10 173.58 2x5a s VAL 50 N 0.39 3.76 -0.21 1.40 1.01 -0.64 -5.01 120.40 121.10 2x5a s VAL 50 Ca 0.05 -0.36 -0.10 0.00 0.00 0.00 0.00 61.98 61.57 2x5a s VAL 50 Cb -0.12 -2.73 -0.05 0.00 0.00 0.00 0.00 36.38 33.48 2x5a s VAL 50 CO -0.00 0.39 0.13 -0.32 0.00 0.00 0.00 175.10 175.30 2x5a s MET 51 N 1.49 4.14 0.00 2.72 1.75 -1.26 -2.13 119.30 126.01 2x5a s MET 51 Ca 0.06 -0.24 0.00 0.00 -1.25 0.00 0.00 55.69 54.25 2x5a s MET 51 Cb -0.15 -3.42 0.00 0.00 2.84 0.00 0.00 34.83 34.10 2x5a s MET 51 CO -0.00 0.24 0.00 0.41 -0.65 0.00 0.00 175.02 175.02 2x5a n GLY 52 N 3.70 0.87 3.37 2.11 0.00 -1.12 -5.00 105.19 109.12 2x5a n GLY 52 Ca -0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 2x5a n GLY 52 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2x5a s THR 53 N 0.08 2.71 -0.44 2.61 -1.32 -1.26 -4.95 115.64 113.07 2x5a s THR 53 Ca 0.00 -0.82 -0.26 0.00 -1.21 0.00 0.00 61.69 59.40 2x5a s THR 53 Cb 0.00 -2.07 0.02 0.00 -1.51 0.00 0.00 72.50 68.94 2x5a s THR 53 CO 0.00 0.56 0.94 0.00 -2.21 0.00 0.00 174.62 173.91 2x5a s ARG 54 N -0.14 3.62 -0.57 7.08 1.70 -1.26 -4.34 118.95 125.04 2x5a s ARG 54 Ca -0.02 0.29 -0.22 0.00 -0.47 0.00 0.00 55.73 55.31 2x5a s ARG 54 Cb -0.14 -3.90 0.06 0.00 -0.57 0.00 0.00 34.95 30.41 2x5a s ARG 54 CO 0.04 -1.17 0.83 -1.12 -1.08 0.00 0.00 175.30 172.80 2x5a s SER 55 N 2.19 6.25 -0.91 -2.89 0.01 -0.73 -4.94 113.70 112.69 2x5a s SER 55 Ca 0.38 -0.78 -0.24 0.00 1.31 0.00 0.00 55.95 56.62 2x5a s SER 55 Cb -0.10 -2.38 0.03 0.00 0.21 0.00 0.00 66.02 63.78 2x5a s SER 55 CO 0.25 -1.17 1.47 -0.63 0.41 0.00 0.00 173.24 173.57 2x5a s ILE 56 N 3.47 3.79 0.30 1.44 1.09 -1.26 -2.70 121.20 127.32 2x5a s ILE 56 Ca 0.22 -0.34 -0.29 0.00 -1.10 0.00 0.00 60.65 59.13 2x5a s ILE 56 Cb -0.17 -4.86 -0.10 0.00 -1.06 0.00 0.00 42.46 36.28 2x5a s ILE 56 CO 0.14 -1.76 1.16 -0.89 -0.10 0.00 0.00 174.94 173.48 2x5a s THR 57 N 5.92 3.25 -0.15 2.92 2.01 0.35 -4.95 115.64 124.99 2x5a s THR 57 Ca 0.46 1.26 -0.02 0.00 0.31 0.00 0.00 61.69 63.71 2x5a s THR 57 Cb -0.04 -3.80 -0.02 0.00 0.01 0.00 0.00 72.50 68.65 2x5a s THR 57 CO -0.01 0.30 -0.09 -1.10 -0.69 0.00 0.00 174.62 173.04 2x5a s GLN 58 N -1.55 3.47 0.31 4.92 -1.52 -1.26 -2.82 119.66 121.19 2x5a s GLN 58 Ca 0.46 -0.63 -0.09 0.00 -1.95 0.00 0.00 55.36 53.15 2x5a s GLN 58 Cb -0.34 -2.78 -0.07 0.00 -0.22 0.00 0.00 33.01 29.60 2x5a s GLN 58 CO 0.45 0.15 0.63 -1.25 -0.25 0.00 0.00 175.29 175.01 2x5a s PRO 59 N 0.56 3.77 0.33 2.91 0.04 -1.26 -4.79 135.00 136.55 2x5a s PRO 59 Ca -0.06 0.29 -0.28 0.00 0.04 0.00 0.00 61.00 60.99 2x5a s PRO 59 Cb -0.15 -2.55 -0.12 0.00 0.04 0.00 0.00 34.50 31.71 2x5a s PRO 59 CO 0.03 0.17 1.33 1.04 0.04 0.00 0.00 177.00 179.62 2x5a n GLN 60 N -0.72 2.20 -3.88 4.56 6.02 -1.26 -4.75 117.38 119.54 2x5a n GLN 60 Ca 0.01 0.77 -0.36 0.00 -0.01 0.00 0.00 57.00 57.41 2x5a n GLN 60 Cb 0.53 -2.38 -0.13 0.00 1.02 0.00 0.00 30.24 29.28 2x5a n GLN 60 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2x5a s ILE 61 N -0.94 3.98 -0.22 5.09 1.01 -0.65 -4.54 121.20 124.92 2x5a s ILE 61 Ca 0.57 -0.29 -0.04 0.00 0.00 0.00 0.00 60.65 60.89 2x5a s ILE 61 Cb -0.56 -2.83 -0.01 0.00 0.01 0.00 0.00 42.46 39.06 2x5a s ILE 61 CO 0.61 0.39 -0.04 -0.70 0.00 0.00 0.00 174.94 175.19 2x5a s GLU 62 N 1.40 3.37 0.03 2.79 2.12 -1.26 -0.33 118.70 126.82 2x5a s GLU 62 Ca 0.05 -0.63 0.03 0.00 0.36 0.00 0.00 54.97 54.78 2x5a s GLU 62 Cb -0.15 -3.01 -0.04 0.00 0.26 0.00 0.00 34.13 31.19 2x5a s GLU 62 CO 0.01 -0.20 -0.00 -0.06 -0.54 0.00 0.00 175.26 174.47 2x5a s PHE 63 N 1.48 3.04 -0.86 5.30 0.08 0.61 -1.65 117.98 125.98 2x5a s PHE 63 Ca 0.06 0.04 -0.21 0.00 0.12 0.00 0.00 56.93 56.94 2x5a s PHE 63 Cb -0.14 -1.63 0.10 0.00 -0.57 0.00 0.00 43.02 40.78 2x5a s PHE 63 CO -0.03 0.46 1.12 0.21 -0.10 0.00 0.00 175.22 176.88 2x5a s LYS 64 N -1.78 3.44 -0.28 0.44 2.20 0.13 -1.04 119.74 122.85 2x5a s LYS 64 Ca 0.21 -1.36 -0.29 0.00 -0.36 0.00 0.00 55.97 54.18 2x5a s LYS 64 Cb -0.12 -4.75 0.01 0.00 -1.51 0.00 0.00 37.83 31.47 2x5a s LYS 64 CO 0.13 -1.85 1.06 -1.17 -0.36 0.00 0.00 175.35 173.15 2x5a s LEU 65 N 3.49 4.00 0.12 5.43 2.96 0.23 -1.45 118.68 133.45 2x5a s LEU 65 Ca 0.31 1.17 0.10 0.00 -0.22 0.00 0.00 54.13 55.50 2x5a s LEU 65 Cb -0.08 -3.53 -0.04 0.00 0.50 0.00 0.00 46.19 43.04 2x5a s LEU 65 CO -0.03 -0.80 -0.25 -1.61 -1.32 0.00 0.00 176.35 172.34 2x5a s GLU 66 N 3.47 1.53 0.09 1.98 8.01 0.53 -0.66 118.70 133.65 2x5a s GLU 66 Ca 0.45 -1.29 0.08 0.00 0.01 0.00 0.00 54.97 54.22 2x5a s GLU 66 Cb -0.13 -1.95 -0.04 0.00 -4.31 0.00 0.00 34.13 27.70 2x5a s GLU 66 CO 0.12 0.46 -0.17 0.95 0.01 0.00 0.00 175.26 176.63 2x5a s THR 67 N -1.05 2.87 -0.26 3.63 -4.23 -0.87 0.29 115.64 116.02 2x5a s THR 67 Ca 0.14 -1.37 0.11 0.00 -1.18 0.00 0.00 61.69 59.40 2x5a s THR 67 Cb -0.10 -2.28 0.46 0.00 1.34 0.00 0.00 72.50 71.92 2x5a s THR 67 CO 0.06 0.18 1.18 0.49 -0.54 0.00 0.00 174.62 176.00 2x5a n PHE 68 N 1.05 1.95 -0.82 3.99 3.72 0.38 -4.43 117.46 123.31 2x5a n PHE 68 Ca -0.16 -2.02 -0.30 0.00 -0.05 0.00 0.00 57.45 54.92 2x5a n PHE 68 Cb 0.52 -0.30 0.18 0.00 -0.94 0.00 0.00 39.48 38.94 2x5a n PHE 68 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 2x5a s GLY 69 N -3.52 1.63 0.04 1.37 0.00 -1.26 -4.97 107.32 100.61 2x5a s GLY 69 Ca 0.44 0.22 0.21 0.00 0.00 0.00 0.00 44.72 45.59 2x5a s GLY 69 CO -0.00 0.73 0.65 1.18 0.00 0.00 0.00 173.10 175.66 2x5a n GLU 70 N -4.29 0.64 -4.20 2.90 1.02 -1.26 -4.92 120.64 110.53 2x5a n GLU 70 Ca 0.08 -0.05 -0.14 0.00 -0.02 0.00 0.00 57.16 57.03 2x5a n GLU 70 Cb 0.53 -1.64 -0.09 0.00 -0.02 0.00 0.00 31.44 30.23 2x5a n GLU 70 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2x5a s SER 71 N -4.96 0.64 0.24 1.62 1.04 -1.25 -4.86 113.70 106.17 2x5a s SER 71 Ca -0.05 -1.47 -0.02 0.00 0.48 0.00 0.00 55.95 54.88 2x5a s SER 71 Cb 0.12 0.47 0.29 0.00 0.10 0.00 0.00 66.02 66.99 2x5a s SER 71 CO 0.86 -0.97 1.70 -0.07 0.98 0.00 0.00 173.24 175.74 2x5a h LEU 72 N 2.41 0.73 -0.44 2.42 3.38 -1.79 -2.68 115.31 119.33 2x5a h LEU 72 Ca -0.31 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.43 2x5a h LEU 72 Cb 1.24 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 2x5a h LEU 72 CO 0.45 0.88 0.25 -0.08 0.09 0.00 0.00 178.44 180.03 2x5a h GLU 73 N 0.67 0.61 -0.27 1.13 4.81 -1.95 -2.27 114.58 117.31 2x5a h GLU 73 Ca 0.11 -0.07 -0.14 0.00 -0.13 0.00 0.00 59.36 59.14 2x5a h GLU 73 Cb 0.60 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 2x5a h GLU 73 CO 0.04 0.48 -0.40 1.49 -0.73 0.00 0.00 179.01 179.89 2x5a h GLU 74 N 0.58 0.63 -0.20 1.92 4.81 -1.91 -2.21 114.58 118.20 2x5a h GLU 74 Ca 0.16 -0.32 -0.15 0.00 -0.13 0.00 0.00 59.36 58.92 2x5a h GLU 74 Cb 0.03 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 2x5a h GLU 74 CO -0.03 0.92 -0.50 -0.91 -0.73 0.00 0.00 179.01 177.77 2x5a h ASN 75 N 0.52 0.60 -0.14 1.04 4.21 -1.39 -1.28 115.58 119.13 2x5a h ASN 75 Ca 0.04 -0.30 -0.14 0.00 1.21 0.00 0.00 56.30 57.11 2x5a h ASN 75 Cb 0.92 -0.17 -0.01 0.00 -1.12 0.00 0.00 38.32 37.94 2x5a h ASN 75 CO 0.08 0.99 -0.41 1.88 -1.29 0.00 0.00 177.43 178.69 2x5a h TYR 76 N 0.43 0.81 -0.02 1.19 0.05 -1.38 -1.95 116.97 116.11 2x5a h TYR 76 Ca 0.02 -0.24 -0.10 0.00 0.05 0.00 0.00 58.73 58.45 2x5a h TYR 76 Cb 1.02 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 38.58 2x5a h TYR 76 CO 0.04 0.98 -0.48 0.37 -1.05 0.00 0.00 178.16 178.02 2x5a h GLN 77 N 0.56 0.05 0.07 4.88 5.75 -1.25 -2.54 115.11 122.61 2x5a h GLN 77 Ca 0.04 -0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.52 2x5a h GLN 77 Cb 0.94 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.49 2x5a h GLN 77 CO 0.09 0.52 -0.03 -0.07 -2.65 0.00 0.00 178.83 176.68 2x5a h LEU 78 N 0.04 -0.08 -1.19 -2.39 3.38 -1.08 -2.59 115.31 111.39 2x5a h LEU 78 Ca -0.00 -0.54 0.09 0.00 0.09 0.00 0.00 57.88 57.51 2x5a h LEU 78 Cb 0.86 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.57 2x5a h LEU 78 CO 0.06 0.61 0.57 0.24 0.09 0.00 0.00 178.44 180.02 2x5a h MET 79 N -0.87 0.89 -0.20 1.13 2.86 -1.40 0.13 114.93 117.47 2x5a h MET 79 Ca -0.01 -0.05 -0.09 0.00 -2.06 0.00 0.00 59.70 57.49 2x5a h MET 79 Cb 0.61 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 32.07 2x5a h MET 79 CO 0.02 0.59 -0.21 -0.22 1.06 0.00 0.00 176.91 178.14 2x5a h LYS 80 N 0.91 0.50 0.48 1.72 3.64 -1.57 -2.88 116.57 119.38 2x5a h LYS 80 Ca 0.40 -0.27 -0.02 0.00 -1.27 0.00 0.00 60.65 59.49 2x5a h LYS 80 Cb 0.35 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 2x5a h LYS 80 CO -0.17 0.85 -0.23 -0.44 -2.27 0.00 0.00 179.45 177.19 2x5a h ASP 81 N 0.17 -0.55 -0.68 4.20 5.19 -1.01 -2.70 116.42 121.05 2x5a h ASP 81 Ca 0.03 -0.07 0.12 0.00 -0.62 0.00 0.00 57.03 56.49 2x5a h ASP 81 Cb 0.77 0.14 -0.08 0.00 0.18 0.00 0.00 39.33 40.33 2x5a h ASP 81 CO 0.05 -0.16 0.25 0.15 -3.12 0.00 0.00 179.24 176.41 2x5a h PHE 82 N -1.04 0.43 0.00 4.55 3.57 -0.87 -2.30 116.94 121.28 2x5a h PHE 82 Ca -0.07 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.47 2x5a h PHE 82 Cb 0.59 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.24 2x5a h PHE 82 CO 0.01 0.07 -0.00 0.28 -2.23 0.00 0.00 178.31 176.44 2x5a h VAL 83 N 0.41 1.37 0.00 1.41 2.07 -1.62 -3.23 116.25 116.66 2x5a h VAL 83 Ca 0.36 -1.10 -0.00 0.00 0.82 0.00 0.00 66.70 66.78 2x5a h VAL 83 Cb 0.50 2.11 -0.00 0.00 -1.52 0.00 0.00 31.29 32.38 2x5a h VAL 83 CO -0.36 0.28 -0.01 0.78 0.02 0.00 0.00 177.57 178.28 2x5a h ASN 84 N -0.47 0.00 1.18 0.57 2.35 -1.35 -0.18 115.58 117.68 2x5a h ASN 84 Ca -0.00 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.67 2x5a h ASN 84 Cb 0.47 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.83 2x5a h ASN 84 CO 0.00 0.01 -0.37 0.44 -1.65 0.00 0.00 177.43 175.86 2x5a h ASP 85 N 0.00 0.00 0.65 5.81 3.45 -1.43 -1.93 116.42 122.96 2x5a h ASP 85 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 2x5a h ASP 85 Cb 0.05 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.82 2x5a h ASP 85 CO 0.00 0.37 -0.40 -0.38 -1.57 0.00 0.00 179.24 177.26 2x5a n ILE 86 N -3.35 0.03 -0.03 0.35 5.41 -0.10 -3.95 119.36 117.72 2x5a n ILE 86 Ca 0.01 -0.03 0.04 0.00 1.00 0.00 0.00 62.75 63.77 2x5a n ILE 86 Cb 0.58 0.05 -0.15 0.00 -0.71 0.00 0.00 39.64 39.41 2x5a n ILE 86 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 2x5a n LEU 87 N -1.56 0.00 0.14 1.39 4.77 -1.05 -4.32 117.00 116.37 2x5a n LEU 87 Ca 0.06 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 56.03 2x5a n LEU 87 Cb 0.35 0.14 0.14 0.00 -2.33 0.00 0.00 43.42 41.72 2x5a n LEU 87 CO 0.33 0.14 0.47 0.77 -1.33 0.00 0.00 177.39 177.78 2x5a h SER 88 N 0.00 0.00 -3.58 -1.43 4.64 -1.49 -3.41 113.55 108.28 2x5a h SER 88 Ca -0.16 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.50 2x5a h SER 88 Cb 1.29 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 63.13 2x5a h SER 88 CO 0.01 0.62 -0.64 -0.54 -0.87 0.00 0.00 176.83 175.40 2x5a s LYS 89 N -3.36 3.40 0.50 4.77 3.01 -1.25 -5.02 119.74 121.78 2x5a s LYS 89 Ca 0.00 -0.64 0.27 0.00 -1.01 0.00 0.00 55.97 54.59 2x5a s LYS 89 Cb 0.11 -3.28 1.35 0.00 -1.01 0.00 0.00 37.83 35.01 2x5a s LYS 89 CO 0.75 -0.28 1.88 1.57 0.51 0.00 0.00 175.35 179.78 2x5a h LYS 90 N 8.21 0.12 -3.11 1.68 2.10 -1.83 -3.41 116.57 120.33 2x5a h LYS 90 Ca -0.37 -0.01 -0.19 0.00 -2.00 0.00 0.00 60.65 58.09 2x5a h LYS 90 Cb 1.15 -0.03 -0.28 0.00 -0.90 0.00 0.00 32.23 32.17 2x5a h LYS 90 CO 0.59 0.08 -0.48 -0.59 -2.00 0.00 0.00 179.45 177.05 2x5a s PHE 91 N -5.12 -0.28 -0.11 0.07 -0.12 -1.26 -4.78 117.98 106.37 2x5a s PHE 91 Ca -0.06 0.69 -0.02 0.00 -0.05 0.00 0.00 56.93 57.49 2x5a s PHE 91 Cb 0.22 0.05 -0.03 0.00 -0.63 0.00 0.00 43.02 42.63 2x5a s PHE 91 CO 0.77 -0.18 -0.04 0.08 -0.05 0.00 0.00 175.22 175.81 2x5a s VAL 92 N 0.77 3.95 -0.32 -2.49 1.01 -0.48 -4.90 120.40 117.95 2x5a s VAL 92 Ca -0.05 -0.36 -0.18 0.00 0.00 0.00 0.00 61.98 61.38 2x5a s VAL 92 Cb -0.07 -2.68 -0.01 0.00 0.00 0.00 0.00 36.38 33.62 2x5a s VAL 92 CO -0.05 0.55 0.54 -0.89 0.00 0.00 0.00 175.10 175.25 2x5a s THR 93 N -0.31 5.01 0.29 3.92 2.01 -0.15 -1.45 115.64 124.97 2x5a s THR 93 Ca 0.05 0.55 -0.12 0.00 0.31 0.00 0.00 61.69 62.48 2x5a s THR 93 Cb -0.12 -3.94 -0.08 0.00 0.01 0.00 0.00 72.50 68.36 2x5a s THR 93 CO 0.02 -0.14 0.67 -0.22 -0.69 0.00 0.00 174.62 174.26 2x5a s LEU 94 N 2.42 4.08 -0.15 4.42 0.20 0.23 -0.07 118.68 129.82 2x5a s LEU 94 Ca 0.20 1.13 0.01 0.00 0.69 0.00 0.00 54.13 56.16 2x5a s LEU 94 Cb -0.15 -3.92 0.02 0.00 -0.43 0.00 0.00 46.19 41.71 2x5a s LEU 94 CO 0.12 -0.17 -0.16 -0.70 -0.29 0.00 0.00 176.35 175.16 2x5a s GLU 95 N -2.99 2.44 -0.46 1.98 2.12 0.14 -0.74 118.70 121.18 2x5a s GLU 95 Ca 0.51 -0.62 -0.14 0.00 0.36 0.00 0.00 54.97 55.09 2x5a s GLU 95 Cb -0.11 -2.18 0.07 0.00 0.26 0.00 0.00 34.13 32.18 2x5a s GLU 95 CO 0.20 -0.21 0.37 -0.47 -0.54 0.00 0.00 175.26 174.61 2x5a s TYR 96 N 1.38 3.26 -0.11 5.30 5.04 0.25 -2.96 117.35 129.51 2x5a s TYR 96 Ca 0.04 -1.05 0.02 0.00 -2.44 0.00 0.00 57.07 53.63 2x5a s TYR 96 Cb -0.13 -3.12 -0.01 0.00 0.35 0.00 0.00 41.96 39.05 2x5a s TYR 96 CO -0.10 -0.81 -0.16 -1.14 -1.34 0.00 0.00 175.55 172.00 2x5a s GLN 97 N 1.60 3.14 0.33 4.97 0.74 -0.51 -0.70 119.66 129.22 2x5a s GLN 97 Ca 0.04 -0.74 0.07 0.00 0.05 0.00 0.00 55.36 54.77 2x5a s GLN 97 Cb -0.24 -2.50 -0.03 0.00 1.10 0.00 0.00 33.01 31.34 2x5a s GLN 97 CO 0.06 0.28 0.28 0.95 -0.55 0.00 0.00 175.29 176.31 2x5a s THR 98 N 0.16 0.00 0.31 -0.34 -4.23 0.77 0.06 115.64 112.37 2x5a s THR 98 Ca -0.09 -1.98 0.01 0.00 -1.18 0.00 0.00 61.69 58.46 2x5a s THR 98 Cb -0.15 -2.51 0.28 0.00 1.34 0.00 0.00 72.50 71.46 2x5a s THR 98 CO 0.05 0.00 1.91 -0.33 -0.54 0.00 0.00 174.62 175.71 2x5a h GLU 99 N 2.15 0.97 0.01 3.99 5.08 -1.86 -3.18 114.58 121.75 2x5a h GLU 99 Ca -0.25 -0.06 -0.33 0.00 -1.00 0.00 0.00 59.36 57.71 2x5a h GLU 99 Cb 1.23 -0.22 -0.06 0.00 0.50 0.00 0.00 28.75 30.21 2x5a h GLU 99 CO 0.37 0.64 -2.03 0.44 -1.00 0.00 0.00 179.01 177.44 2x5a n ILE 100 N -4.50 1.54 -4.08 3.13 -5.35 -1.26 -5.04 119.36 103.80 2x5a n ILE 100 Ca 0.14 -0.79 -0.07 0.00 -0.27 0.00 0.00 62.75 61.76 2x5a n ILE 100 Cb 0.22 -0.93 -0.10 0.00 -1.74 0.00 0.00 39.64 37.09 2x5a n ILE 100 CO 0.00 0.00 0.00 0.72 -1.76 0.00 0.00 176.55 175.51 2x5a s PHE 101 N -2.55 0.51 -0.49 4.28 -0.12 -1.20 -5.10 117.98 113.31 2x5a s PHE 101 Ca -0.10 -1.06 0.06 0.00 -0.05 0.00 0.00 56.93 55.78 2x5a s PHE 101 Cb 0.07 -0.38 0.20 0.00 -0.63 0.00 0.00 43.02 42.28 2x5a s PHE 101 CO 0.81 -0.39 0.47 0.94 -0.05 0.00 0.00 175.22 177.00 2x5a n GLN 102 N 0.10 0.92 -2.88 1.99 7.27 -1.26 -0.16 117.38 123.37 2x5a n GLN 102 Ca -0.14 -3.61 -0.23 0.00 0.07 0.00 0.00 57.00 53.09 2x5a n GLN 102 Cb 0.61 -1.72 0.02 0.00 2.41 0.00 0.00 30.24 31.56 2x5a n GLN 102 CO 0.00 0.00 0.00 0.14 0.07 0.00 0.00 177.06 177.27 2x5a s VAL 103 N -0.89 3.76 0.11 1.69 -7.23 0.12 -4.66 120.40 113.30 2x5a s VAL 103 Ca 0.33 -0.48 0.05 0.00 -1.81 0.00 0.00 61.98 60.07 2x5a s VAL 103 Cb 0.08 -3.40 -0.04 0.00 0.56 0.00 0.00 36.38 33.58 2x5a s VAL 103 CO -0.15 -0.29 -0.12 -0.31 -0.31 0.00 0.00 175.10 173.92 2x5a s TYR 104 N -2.62 1.20 0.06 2.82 2.02 -0.80 0.84 117.35 120.86 2x5a s TYR 104 Ca 0.50 -0.62 0.07 0.00 -0.37 0.00 0.00 57.07 56.66 2x5a s TYR 104 Cb -0.10 -0.64 -0.03 0.00 -0.40 0.00 0.00 41.96 40.79 2x5a s TYR 104 CO 0.39 0.06 -0.19 0.00 -1.57 0.00 0.00 175.55 174.23 2x5a s ALA 105 N -2.33 1.63 -0.95 3.71 0.00 0.08 -1.30 121.76 122.60 2x5a s ALA 105 Ca 0.07 -1.05 -0.02 0.00 0.00 0.00 0.00 51.96 50.96 2x5a s ALA 105 Cb -0.04 -0.28 0.26 0.00 0.00 0.00 0.00 23.12 23.07 2x5a s ALA 105 CO 0.01 0.34 1.05 -0.25 0.00 0.00 0.00 175.76 176.91 2x5a n ASP 106 N 1.66 5.02 -4.80 0.00 8.00 -0.25 -0.60 116.55 125.58 2x5a n ASP 106 Ca -0.18 -3.26 -0.32 0.00 0.71 0.00 0.00 54.79 51.75 2x5a n ASP 106 Cb 0.54 -1.11 0.04 0.00 -0.02 0.00 0.00 41.12 40.57 2x5a n ASP 106 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2x5a s LEU 107 N -1.99 3.24 -0.05 0.64 1.43 -0.53 -1.65 118.68 119.78 2x5a s LEU 107 Ca 0.31 1.73 -0.01 0.00 -1.03 0.00 0.00 54.13 55.14 2x5a s LEU 107 Cb -0.00 -4.51 0.03 0.00 0.03 0.00 0.00 46.19 41.73 2x5a s LEU 107 CO -0.03 -1.46 0.01 0.00 0.23 0.00 0.00 176.35 175.10 2x5a s ALA 108 N -2.81 0.44 -0.33 4.21 0.00 -0.39 -1.38 121.76 121.51 2x5a s ALA 108 Ca 0.61 0.06 -0.37 0.00 0.00 0.00 0.00 51.96 52.26 2x5a s ALA 108 Cb -0.15 -0.52 -0.13 0.00 0.00 0.00 0.00 23.12 22.32 2x5a s ALA 108 CO 0.49 -0.27 2.09 -0.11 0.00 0.00 0.00 175.76 177.96 2x5a n LEU 109 N 4.66 2.17 -0.09 0.00 -0.00 -1.26 -0.05 117.00 122.44 2x5a n LEU 109 Ca -0.16 0.58 -0.13 0.00 -0.00 0.00 0.00 56.01 56.30 2x5a n LEU 109 Cb 0.50 -1.23 -0.07 0.00 -0.00 0.00 0.00 43.42 42.63 2x5a n LEU 109 CO 0.16 -0.64 -0.38 0.00 -0.00 0.00 0.00 177.39 176.53 2x5a h ALA 110 N 11.09 0.13 -1.33 1.96 0.00 -1.51 -3.45 119.26 126.15 2x5a h ALA 110 Ca -0.31 -0.83 0.12 0.00 0.00 0.00 0.00 54.91 53.90 2x5a h ALA 110 Cb 1.32 0.57 -0.21 0.00 0.00 0.00 0.00 17.79 19.47 2x5a h ALA 110 CO 1.01 0.55 -0.04 0.34 0.00 0.00 0.00 179.25 181.11 2x5a s ASP 111 N -6.30 -0.98 -0.05 0.00 2.15 -1.13 -4.96 116.67 105.40 2x5a s ASP 111 Ca -0.21 1.08 0.01 0.00 0.43 0.00 0.00 52.55 53.85 2x5a s ASP 111 Cb 0.04 2.01 -0.03 0.00 -0.30 0.00 0.00 42.92 44.63 2x5a s ASP 111 CO 0.41 -0.19 -0.04 0.54 -0.17 0.00 0.00 175.17 175.73 2x5a s VAL 112 N 2.78 3.94 -0.09 1.11 0.11 -1.26 -0.89 120.40 126.11 2x5a s VAL 112 Ca 0.02 -0.47 0.01 0.00 -2.93 0.00 0.00 61.98 58.61 2x5a s VAL 112 Cb -0.11 -2.66 -0.02 0.00 -1.53 0.00 0.00 36.38 32.05 2x5a s VAL 112 CO -0.18 0.54 -0.12 0.42 -3.33 0.00 0.00 175.10 172.42 2x5a s THR 113 N -0.90 3.19 -0.18 5.04 -4.23 -1.13 -5.03 115.64 112.40 2x5a s THR 113 Ca 0.14 -0.65 0.01 0.00 -1.18 0.00 0.00 61.69 60.01 2x5a s THR 113 Cb -0.11 -2.30 0.03 0.00 1.34 0.00 0.00 72.50 71.46 2x5a s THR 113 CO 0.04 0.56 -0.15 -0.75 -0.54 0.00 0.00 174.62 173.78 2x5a s LYS 114 N -0.29 2.46 0.23 3.99 2.20 -1.26 -4.63 119.74 122.45 2x5a s LYS 114 Ca 0.03 -0.75 0.07 0.00 -0.36 0.00 0.00 55.97 54.95 2x5a s LYS 114 Cb -0.13 -2.37 -0.05 0.00 -1.51 0.00 0.00 37.83 33.77 2x5a s LYS 114 CO 0.03 -0.29 -0.09 0.95 -0.36 0.00 0.00 175.35 175.59 2x5a s THR 115 N 1.38 1.59 -0.37 3.43 -4.23 -1.26 -5.08 115.64 111.10 2x5a s THR 115 Ca 0.03 -2.15 0.07 0.00 -1.18 0.00 0.00 61.69 58.46 2x5a s THR 115 Cb -0.14 -2.23 0.65 0.00 1.34 0.00 0.00 72.50 72.11 2x5a s THR 115 CO -0.11 -0.45 1.71 -0.62 -0.54 0.00 0.00 174.62 174.61 2x5a n GLU 116 N -0.46 3.14 -3.01 3.99 1.02 -1.26 -4.77 120.64 119.29 2x5a n GLU 116 Ca -0.07 -2.69 -0.44 0.00 -0.02 0.00 0.00 57.16 53.94 2x5a n GLU 116 Cb 0.62 -2.10 -0.02 0.00 -0.02 0.00 0.00 31.44 29.93 2x5a n GLU 116 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2x5a s GLY 117 N -0.86 2.23 0.15 0.62 0.00 -1.26 -5.03 107.32 103.18 2x5a s GLY 117 Ca 0.49 -3.07 -0.10 0.00 0.00 0.00 0.00 44.72 42.04 2x5a s GLY 117 CO 0.12 1.89 0.49 -0.19 0.00 0.00 0.00 173.10 175.40 2x5a s TYR 118 N 1.83 3.52 0.00 1.90 4.12 -1.26 -4.71 117.35 122.75 2x5a s TYR 118 Ca 0.33 0.86 0.00 0.00 0.02 0.00 0.00 57.07 58.28 2x5a s TYR 118 Cb -0.05 -2.23 0.00 0.00 -1.52 0.00 0.00 41.96 38.16 2x5a s TYR 118 CO -0.07 0.40 0.00 0.41 0.02 0.00 0.00 175.55 176.31 2x5a n GLY 119 N 0.43 0.90 3.44 0.71 0.00 -0.99 -4.89 105.19 104.79 2x5a n GLY 119 Ca -0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 2x5a n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x5a s LYS 120 N 1.11 3.53 -1.57 1.61 1.02 -1.26 -4.53 119.74 119.65 2x5a s LYS 120 Ca 0.00 -0.59 -0.03 0.00 0.02 0.00 0.00 55.97 55.37 2x5a s LYS 120 Cb 0.00 -2.78 0.00 0.00 -0.52 0.00 0.00 37.83 34.53 2x5a s LYS 120 CO 0.00 0.24 0.34 0.09 -0.92 0.00 0.00 175.35 175.10 2x5a n ASN 121 N 3.50 -5.83 -1.87 2.83 3.02 -1.26 -2.83 115.26 112.82 2x5a n ASN 121 Ca -0.18 -0.17 -0.13 0.00 -0.03 0.00 0.00 54.58 54.07 2x5a n ASN 121 Cb 0.53 -4.73 0.02 0.00 -0.61 0.00 0.00 39.78 34.99 2x5a n ASN 121 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2x5a n GLY 122 N -1.30 -0.01 3.78 7.41 0.00 -1.26 -2.40 105.19 111.41 2x5a n GLY 122 Ca -0.16 -0.25 -0.36 0.00 0.00 0.00 0.00 46.02 45.25 2x5a n GLY 122 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2x5a s THR 123 N -2.92 3.42 -0.07 2.61 -1.32 -1.13 -4.78 115.64 111.46 2x5a s THR 123 Ca 0.18 1.00 0.02 0.00 -1.21 0.00 0.00 61.69 61.68 2x5a s THR 123 Cb -0.08 -3.47 -0.03 0.00 -1.51 0.00 0.00 72.50 67.41 2x5a s THR 123 CO 0.23 -0.08 -0.09 -0.36 -2.21 0.00 0.00 174.62 172.10 2x5a s PHE 124 N -1.71 2.86 -0.27 9.09 0.08 -1.26 -2.33 117.98 124.44 2x5a s PHE 124 Ca 0.64 -0.08 -0.01 0.00 0.12 0.00 0.00 56.93 57.61 2x5a s PHE 124 Cb -0.23 -1.70 0.08 0.00 -0.57 0.00 0.00 43.02 40.60 2x5a s PHE 124 CO 0.28 0.25 0.05 0.45 -0.10 0.00 0.00 175.22 176.15 2x5a s SER 125 N -0.69 3.79 0.08 1.36 0.15 -1.26 -2.06 113.70 115.07 2x5a s SER 125 Ca 0.10 -1.39 0.01 0.00 0.70 0.00 0.00 55.95 55.38 2x5a s SER 125 Cb -0.11 -0.93 -0.04 0.00 -1.71 0.00 0.00 66.02 63.23 2x5a s SER 125 CO 0.01 -0.35 -0.06 -1.61 1.20 0.00 0.00 173.24 172.44 2x5a s GLU 126 N 1.57 0.73 -0.20 5.44 0.41 0.17 -4.97 118.70 121.85 2x5a s GLU 126 Ca 0.04 -1.19 -0.09 0.00 -0.41 0.00 0.00 54.97 53.31 2x5a s GLU 126 Cb -0.18 -0.14 -0.05 0.00 -1.78 0.00 0.00 34.13 31.98 2x5a s GLU 126 CO -0.16 -0.02 0.11 0.15 -0.49 0.00 0.00 175.26 174.85 2x5a s LYS 127 N -3.38 4.11 -0.16 1.61 1.02 -1.26 0.75 119.74 122.43 2x5a s LYS 127 Ca 0.06 -0.26 0.01 0.00 0.02 0.00 0.00 55.97 55.80 2x5a s LYS 127 Cb 0.03 -3.36 0.01 0.00 -0.52 0.00 0.00 37.83 33.98 2x5a s LYS 127 CO -0.05 0.27 -0.19 -1.50 -0.92 0.00 0.00 175.35 172.97 2x5a s ILE 128 N 0.41 2.30 0.04 2.17 2.07 -0.20 -2.83 121.20 125.16 2x5a s ILE 128 Ca 0.06 -0.89 0.02 0.00 -1.41 0.00 0.00 60.65 58.43 2x5a s ILE 128 Cb -0.12 -1.95 -0.04 0.00 0.13 0.00 0.00 42.46 40.48 2x5a s ILE 128 CO -0.01 0.53 0.08 -0.89 -1.91 0.00 0.00 174.94 172.74 2x5a s THR 129 N 0.95 4.60 -0.02 4.00 2.01 -0.06 -0.28 115.64 126.83 2x5a s THR 129 Ca -0.03 -0.61 0.02 0.00 0.31 0.00 0.00 61.69 61.37 2x5a s THR 129 Cb -0.15 -3.16 0.00 0.00 0.01 0.00 0.00 72.50 69.20 2x5a s THR 129 CO -0.04 0.23 -0.07 -0.36 -0.69 0.00 0.00 174.62 173.69 2x5a s PHE 130 N -1.30 0.73 0.00 4.92 0.40 0.55 -1.30 117.98 121.98 2x5a s PHE 130 Ca 0.26 -0.16 -0.18 0.00 -0.60 0.00 0.00 56.93 56.26 2x5a s PHE 130 Cb -0.12 -0.51 -0.06 0.00 0.51 0.00 0.00 43.02 42.84 2x5a s PHE 130 CO 0.18 -0.06 0.51 -0.51 0.70 0.00 0.00 175.22 176.05 2x5a s ASP 131 N 0.08 6.90 -0.17 1.36 1.01 0.93 -1.64 116.67 125.14 2x5a s ASP 131 Ca -0.01 1.08 -0.26 0.00 0.71 0.00 0.00 52.55 54.07 2x5a s ASP 131 Cb -0.06 -2.32 -0.01 0.00 1.01 0.00 0.00 42.92 41.54 2x5a s ASP 131 CO -0.00 0.20 0.85 -0.63 0.21 0.00 0.00 175.17 175.80 2x5a s ILE 132 N -0.60 4.87 -0.09 0.77 -1.09 -1.26 -1.27 121.20 122.54 2x5a s ILE 132 Ca 0.27 1.67 -0.07 0.00 -2.23 0.00 0.00 60.65 60.29 2x5a s ILE 132 Cb -0.18 -4.15 -0.02 0.00 -1.58 0.00 0.00 42.46 36.53 2x5a s ILE 132 CO 0.15 0.02 -0.14 -0.38 -1.23 0.00 0.00 174.94 173.37 2x5a n ILE 133 N 4.73 0.80 -4.00 2.92 5.41 -0.66 -4.96 119.36 123.60 2x5a n ILE 133 Ca 0.05 0.33 -0.23 0.00 1.00 0.00 0.00 62.75 63.89 2x5a n ILE 133 Cb 0.49 -1.98 -0.17 0.00 -0.71 0.00 0.00 39.64 37.26 2x5a n ILE 133 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 2x5a s THR 134 N -1.85 0.69 -0.24 1.39 2.01 -1.24 -4.99 115.64 111.41 2x5a s THR 134 Ca -0.12 -0.13 -0.10 0.00 0.31 0.00 0.00 61.69 61.66 2x5a s THR 134 Cb 0.02 -0.74 -0.05 0.00 0.01 0.00 0.00 72.50 71.74 2x5a s THR 134 CO 0.17 0.29 0.14 -0.75 -0.69 0.00 0.00 174.62 173.78 2x5a s LYS 135 N 1.46 4.01 -0.08 4.92 2.20 -1.26 -1.09 119.74 129.90 2x5a s LYS 135 Ca -0.02 -0.30 -0.06 0.00 -0.36 0.00 0.00 55.97 55.23 2x5a s LYS 135 Cb -0.13 -3.49 0.02 0.00 -1.51 0.00 0.00 37.83 32.72 2x5a s LYS 135 CO -0.04 0.05 0.12 0.91 -0.36 0.00 0.00 175.35 176.03 2x5a n TRP 136 N 4.30 -2.53 -3.79 4.03 5.03 -1.04 -4.44 117.44 119.00 2x5a n TRP 136 Ca -0.15 1.48 -0.13 0.00 3.03 0.00 0.00 57.50 61.72 2x5a n TRP 136 Cb 0.52 -2.61 -0.14 0.00 -1.03 0.00 0.00 31.31 28.05 2x5a n TRP 136 CO 0.00 0.00 0.00 1.52 -0.03 0.00 0.00 177.69 179.18 2x5a s TYR 137 N -0.36 -0.10 0.11 -5.99 -0.85 -0.42 -0.10 117.35 109.64 2x5a s TYR 137 Ca -0.13 0.31 -0.24 0.00 -0.52 0.00 0.00 57.07 56.49 2x5a s TYR 137 Cb 0.01 -0.07 -0.07 0.00 0.38 0.00 0.00 41.96 42.21 2x5a s TYR 137 CO 0.36 -0.10 0.72 0.95 -1.52 0.00 0.00 175.55 175.96 2x5a s THR 138 N 0.69 4.57 -0.47 -3.49 -4.23 -0.15 -1.91 115.64 110.65 2x5a s THR 138 Ca -0.05 1.56 -0.10 0.00 -1.18 0.00 0.00 61.69 61.92 2x5a s THR 138 Cb -0.07 -4.07 0.11 0.00 1.34 0.00 0.00 72.50 69.81 2x5a s THR 138 CO -0.03 0.48 0.35 -0.47 -0.54 0.00 0.00 174.62 174.41 2x5a s TYR 139 N -0.80 3.40 0.19 3.99 5.04 -1.26 -2.33 117.35 125.57 2x5a s TYR 139 Ca 0.35 -1.77 0.10 0.00 -2.44 0.00 0.00 57.07 53.31 2x5a s TYR 139 Cb -0.21 -3.45 -0.04 0.00 0.35 0.00 0.00 41.96 38.60 2x5a s TYR 139 CO 0.23 -0.98 -0.15 -1.21 -1.34 0.00 0.00 175.55 172.11 2x5a s GLU 140 N 1.39 1.85 -0.32 4.97 2.02 -0.18 -4.98 118.70 123.45 2x5a s GLU 140 Ca 0.05 -1.37 -0.20 0.00 0.02 0.00 0.00 54.97 53.47 2x5a s GLU 140 Cb -0.26 -2.03 -0.01 0.00 0.10 0.00 0.00 34.13 31.93 2x5a s GLU 140 CO 0.00 0.42 0.60 1.21 0.02 0.00 0.00 175.26 177.51 2x5a s ASN 141 N -2.77 6.44 -0.23 -0.19 2.47 -1.26 0.24 114.94 119.64 2x5a s ASN 141 Ca 0.23 0.27 -0.15 0.00 0.42 0.00 0.00 52.86 53.64 2x5a s ASN 141 Cb -0.08 -2.31 -0.04 0.00 -1.45 0.00 0.00 41.25 37.36 2x5a s ASN 141 CO 0.13 -0.50 0.35 -0.22 -3.72 0.00 0.00 177.10 173.14 2x5a s LEU 142 N 2.58 4.11 0.09 3.21 1.98 -0.29 -4.90 118.68 125.46 2x5a s LEU 142 Ca 0.24 0.37 0.06 0.00 -2.89 0.00 0.00 54.13 51.90 2x5a s LEU 142 Cb -0.15 -2.41 -0.03 0.00 0.66 0.00 0.00 46.19 44.26 2x5a s LEU 142 CO 0.13 -0.08 -0.15 -0.89 -1.89 0.00 0.00 176.35 173.47 2x5a s THR 143 N 1.50 1.24 0.84 3.68 2.01 -1.26 -3.67 115.64 119.97 2x5a s THR 143 Ca 0.16 -1.47 -0.11 0.00 0.31 0.00 0.00 61.69 60.58 2x5a s THR 143 Cb -0.15 -1.28 0.10 0.00 0.01 0.00 0.00 72.50 71.18 2x5a s THR 143 CO 0.08 -0.28 1.10 0.72 -0.69 0.00 0.00 174.62 175.54 2x5a s PHE 144 N -1.58 2.36 0.01 4.92 -0.71 -1.26 -4.65 117.98 117.08 2x5a s PHE 144 Ca 0.03 1.47 0.06 0.00 -1.04 0.00 0.00 56.93 57.45 2x5a s PHE 144 Cb -0.08 -3.12 -0.03 0.00 -1.21 0.00 0.00 43.02 38.58 2x5a s PHE 144 CO 0.03 -2.15 -0.17 -0.51 -1.34 0.00 0.00 175.22 171.08 2x5a s ASP 145 N -3.31 3.87 0.06 1.98 1.01 0.11 -4.96 116.67 115.43 2x5a s ASP 145 Ca 0.63 -0.35 0.02 0.00 0.71 0.00 0.00 52.55 53.55 2x5a s ASP 145 Cb -0.18 -0.69 -0.04 0.00 1.01 0.00 0.00 42.92 43.02 2x5a s ASP 145 CO 0.57 0.28 0.10 -0.75 0.21 0.00 0.00 175.17 175.58 2x5a s LYS 146 N -1.22 3.00 -0.18 8.23 2.47 -1.26 -2.28 119.74 128.49 2x5a s LYS 146 Ca 0.14 -0.61 -0.04 0.00 -1.56 0.00 0.00 55.97 53.90 2x5a s LYS 146 Cb -0.11 -2.80 -0.02 0.00 -1.46 0.00 0.00 37.83 33.45 2x5a s LYS 146 CO 0.04 0.59 -0.03 0.42 0.16 0.00 0.00 175.35 176.53 2x5a s ILE 147 N -1.36 3.73 -0.03 5.43 -1.09 -1.25 -5.03 121.20 121.60 2x5a s ILE 147 Ca 0.29 -0.40 0.02 0.00 -2.23 0.00 0.00 60.65 58.33 2x5a s ILE 147 Cb -0.12 -2.66 -0.03 0.00 -1.58 0.00 0.00 42.46 38.06 2x5a s ILE 147 CO 0.21 0.46 -0.07 -1.10 -1.23 0.00 0.00 174.94 173.21 2x5a s GLN 148 N 0.84 2.65 0.19 2.79 -0.21 -1.26 -4.59 119.66 120.07 2x5a s GLN 148 Ca -0.01 -0.64 -0.31 0.00 0.02 0.00 0.00 55.36 54.43 2x5a s GLN 148 Cb -0.14 -2.55 -0.09 0.00 1.00 0.00 0.00 33.01 31.23 2x5a s GLN 148 CO 0.02 0.63 1.42 -0.80 -2.12 0.00 0.00 175.29 174.43 2x5a s ASN 149 N -1.14 6.75 0.57 5.90 0.01 -1.26 -5.02 114.94 120.74 2x5a s ASN 149 Ca 0.15 2.50 -0.18 0.00 -0.71 0.00 0.00 52.86 54.62 2x5a s ASN 149 Cb -0.11 -2.61 -0.05 0.00 0.41 0.00 0.00 41.25 38.90 2x5a s ASN 149 CO 0.05 -0.67 1.11 -0.83 -1.51 0.00 0.00 177.10 175.25 2x5a s GLY 150 N 0.68 2.46 0.52 0.66 0.00 -0.75 -4.97 107.32 105.92 2x5a s GLY 150 Ca 0.62 0.69 -0.20 0.00 0.00 0.00 0.00 44.72 45.83 2x5a s GLY 150 CO 0.36 1.04 1.13 0.54 0.00 0.00 0.00 173.10 176.17 2x5a s LYS 151 N -3.55 3.46 -0.14 2.90 1.02 -1.26 -4.46 119.74 117.71 2x5a s LYS 151 Ca 0.70 1.62 -0.21 0.00 0.02 0.00 0.00 55.97 58.10 2x5a s LYS 151 Cb -0.21 -2.08 -0.03 0.00 -0.52 0.00 0.00 37.83 34.98 2x5a s LYS 151 CO 0.30 -0.76 0.64 0.08 -0.92 0.00 0.00 175.35 174.69 2x5a s VAL 152 N -1.75 5.05 -0.03 3.17 1.01 -1.26 -4.86 120.40 121.73 2x5a s VAL 152 Ca 0.71 1.25 0.05 0.00 0.00 0.00 0.00 61.98 63.99 2x5a s VAL 152 Cb -0.24 -3.96 -0.01 0.00 0.00 0.00 0.00 36.38 32.17 2x5a s VAL 152 CO 0.28 0.18 -0.17 -0.63 0.00 0.00 0.00 175.10 174.76 2x5a s ILE 153 N 1.39 1.39 -0.03 2.22 1.01 -1.26 -5.05 121.20 120.87 2x5a s ILE 153 Ca 0.31 -0.72 -0.30 0.00 0.00 0.00 0.00 60.65 59.94 2x5a s ILE 153 Cb -0.16 -1.18 -0.05 0.00 0.01 0.00 0.00 42.46 41.08 2x5a s ILE 153 CO 0.13 0.40 1.43 0.00 0.00 0.00 0.00 174.94 176.89 2x5a s ALA 154 N -0.15 3.60 0.00 9.38 0.00 -1.26 -1.43 121.76 131.90 2x5a s ALA 154 Ca 0.01 0.85 0.00 0.00 0.00 0.00 0.00 51.96 52.82 2x5a s ALA 154 Cb -0.09 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.40 2x5a s ALA 154 CO 0.01 -1.02 0.00 0.41 0.00 0.00 0.00 175.76 175.15 2x5a n GLY 155 N 3.72 2.76 0.10 0.00 0.00 -1.26 -4.78 105.19 105.74 2x5a n GLY 155 Ca 0.14 -0.03 -0.14 0.00 0.00 0.00 0.00 46.02 46.00 2x5a n GLY 155 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2x5a h MET 156 N 0.00 0.12 -6.60 1.61 2.07 -1.71 -3.43 114.93 106.99 2x5a h MET 156 Ca 0.00 -0.20 -0.45 0.00 -2.07 0.00 0.00 59.70 56.98 2x5a h MET 156 Cb 0.00 0.08 0.02 0.00 -1.87 0.00 0.00 31.60 29.83 2x5a h MET 156 CO 0.00 0.83 -0.17 -1.12 1.07 0.00 0.00 176.91 177.52 2x5a s SER 157 N -6.54 5.75 -0.71 1.22 0.01 -0.52 -0.33 113.70 112.58 2x5a s SER 157 Ca -0.10 0.04 -0.21 0.00 1.31 0.00 0.00 55.95 56.99 2x5a s SER 157 Cb 0.07 -1.26 0.09 0.00 0.21 0.00 0.00 66.02 65.14 2x5a s SER 157 CO 0.81 -0.71 0.96 -0.75 0.41 0.00 0.00 173.24 173.96 2x5a s LYS 158 N -4.47 3.22 0.01 12.44 2.20 -1.23 -4.69 119.74 127.22 2x5a s LYS 158 Ca 0.50 -1.15 -0.12 0.00 -0.36 0.00 0.00 55.97 54.83 2x5a s LYS 158 Cb -0.10 -4.40 0.02 0.00 -1.51 0.00 0.00 37.83 31.83 2x5a s LYS 158 CO 0.36 -1.76 0.26 0.96 -0.36 0.00 0.00 175.35 174.81 2x5a s ILE 159 N 3.47 0.08 -0.80 5.43 -4.36 -1.26 -4.89 121.20 118.86 2x5a s ILE 159 Ca 0.23 -0.62 -0.10 0.00 -0.26 0.00 0.00 60.65 59.89 2x5a s ILE 159 Cb -0.15 -0.69 0.21 0.00 1.25 0.00 0.00 42.46 43.08 2x5a s ILE 159 CO 0.05 -0.34 0.71 -0.31 0.24 0.00 0.00 174.94 175.29 2x5a s TYR 160 N -1.77 3.72 0.19 1.37 2.02 -1.26 -4.11 117.35 117.51 2x5a s TYR 160 Ca -0.11 -2.27 0.01 0.00 -0.37 0.00 0.00 57.07 54.33 2x5a s TYR 160 Cb -0.04 -3.64 0.01 0.00 -0.40 0.00 0.00 41.96 37.88 2x5a s TYR 160 CO 0.01 -0.94 0.07 0.41 -1.57 0.00 0.00 175.55 173.53 2x5a n GLY 161 N 3.68 3.47 7.00 0.71 0.00 -1.24 -4.45 105.19 114.35 2x5a n GLY 161 Ca 0.13 -2.24 0.00 0.00 0.00 0.00 0.00 46.02 43.91 2x5a n GLY 161 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2x5a n GLY 162 N 2.69 2.77 3.73 -0.02 0.00 -1.26 -2.18 105.19 110.92 2x5a n GLY 162 Ca -0.04 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.28 2x5a n GLY 162 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2x5a s THR 163 N 0.00 2.63 0.40 2.61 -4.23 -1.26 -4.73 115.64 111.05 2x5a s THR 163 Ca 0.00 0.49 -0.27 0.00 -1.18 0.00 0.00 61.69 60.73 2x5a s THR 163 Cb 0.00 -3.31 -0.09 0.00 1.34 0.00 0.00 72.50 70.44 2x5a s THR 163 CO 0.00 0.06 1.36 0.00 -0.54 0.00 0.00 174.62 175.50 2x5a s ALA 164 N 0.54 3.35 -0.87 3.99 0.00 -1.26 -1.87 121.76 125.64 2x5a s ALA 164 Ca 0.64 1.35 -0.03 0.00 0.00 0.00 0.00 51.96 53.92 2x5a s ALA 164 Cb -0.43 -3.53 0.21 0.00 0.00 0.00 0.00 23.12 19.37 2x5a s ALA 164 CO 0.38 -0.92 2.29 -0.35 0.00 0.00 0.00 175.76 177.16 2x5a n PRO 165 N 0.23 3.60 0.00 0.00 -0.04 -1.26 -5.05 135.00 132.48 2x5a n PRO 165 Ca 0.03 -3.39 0.00 0.00 -0.04 0.00 0.00 63.50 60.10 2x5a n PRO 165 Cb 0.42 -2.35 0.00 0.00 -0.04 0.00 0.00 33.50 31.53 2x5a n PRO 165 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2x5a n GLY 166 N 0.47 -1.88 3.45 0.55 0.00 -0.78 -4.95 105.19 102.05 2x5a n GLY 166 Ca 0.53 -1.47 -0.09 0.00 0.00 0.00 0.00 46.02 44.99 2x5a n GLY 166 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x5a s ASN 167 N -3.05 -0.72 -0.11 1.61 2.20 -0.93 -4.77 114.94 109.18 2x5a s ASN 167 Ca 0.00 1.19 0.01 0.00 -0.94 0.00 0.00 52.86 53.12 2x5a s ASN 167 Cb 0.00 1.07 0.02 0.00 -2.00 0.00 0.00 41.25 40.34 2x5a s ASN 167 CO 0.00 -0.21 -0.11 -0.72 -2.94 0.00 0.00 177.10 173.12 2x5a s TYR 168 N 1.46 1.65 -0.14 1.54 -0.85 -1.26 -3.73 117.35 116.03 2x5a s TYR 168 Ca -0.09 -0.78 -0.09 0.00 -0.52 0.00 0.00 57.07 55.59 2x5a s TYR 168 Cb -0.07 -1.27 -0.04 0.00 0.38 0.00 0.00 41.96 40.96 2x5a s TYR 168 CO -0.15 -0.47 0.16 0.15 -1.52 0.00 0.00 175.55 173.72 2x5a s LYS 169 N 1.30 3.72 -0.48 -3.49 -0.14 -1.26 -5.06 119.74 114.32 2x5a s LYS 169 Ca -0.02 -0.11 -0.26 0.00 -1.36 0.00 0.00 55.97 54.22 2x5a s LYS 169 Cb -0.14 -3.27 0.03 0.00 -1.68 0.00 0.00 37.83 32.77 2x5a s LYS 169 CO -0.04 0.62 0.99 0.71 -0.76 0.00 0.00 175.35 176.86 2x5a s TYR 170 N -0.58 2.87 0.54 3.18 2.02 -1.26 -4.39 117.35 119.73 2x5a s TYR 170 Ca 0.14 0.44 0.06 0.00 -0.37 0.00 0.00 57.07 57.34 2x5a s TYR 170 Cb -0.12 -4.12 0.04 0.00 -0.40 0.00 0.00 41.96 37.35 2x5a s TYR 170 CO 0.03 -1.18 0.41 0.42 -1.57 0.00 0.00 175.55 173.66 2x5a s ILE 171 N 4.00 1.71 -0.50 2.71 1.01 -1.26 -4.95 121.20 123.92 2x5a s ILE 171 Ca 0.40 -1.48 -0.12 0.00 0.00 0.00 0.00 60.65 59.45 2x5a s ILE 171 Cb -0.09 -2.19 0.12 0.00 0.01 0.00 0.00 42.46 40.31 2x5a s ILE 171 CO 0.27 0.00 0.41 -0.75 0.00 0.00 0.00 174.94 174.87 2x5a s LYS 172 N -4.28 2.68 0.00 2.79 2.47 -1.26 -3.96 119.74 118.19 2x5a s LYS 172 Ca 0.35 -1.75 0.00 0.00 -1.56 0.00 0.00 55.97 53.02 2x5a s LYS 172 Cb -0.02 -4.08 0.00 0.00 -1.46 0.00 0.00 37.83 32.27 2x5a s LYS 172 CO 0.22 -1.25 0.00 0.41 0.16 0.00 0.00 175.35 174.89 2x5a n GLY 173 N 5.04 2.97 0.12 5.54 0.00 -1.26 -4.76 105.19 112.84 2x5a n GLY 173 Ca -0.10 -0.79 -0.19 0.00 0.00 0.00 0.00 46.02 44.94 2x5a n GLY 173 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2x5a h THR 174 N 0.00 1.25 0.00 2.61 1.35 -1.98 -3.48 112.91 112.66 2x5a h THR 174 Ca 0.00 -2.82 0.00 0.00 -0.55 0.00 0.00 66.41 63.04 2x5a h THR 174 Cb 0.00 2.87 0.00 0.00 -1.73 0.00 0.00 68.15 69.29 2x5a h THR 174 CO 0.00 0.84 0.00 -0.24 -0.25 0.00 0.00 175.52 175.87 2x5a n SER 175 N -3.54 0.00 -4.00 5.36 2.88 -1.25 -4.53 113.62 108.53 2x5a n SER 175 Ca -0.15 0.00 -0.27 0.00 -1.33 0.00 0.00 58.87 57.12 2x5a n SER 175 Cb 1.05 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 64.35 2x5a n SER 175 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 2x5a s TYR 176 N 0.00 1.73 -0.12 0.66 -0.85 -1.26 -4.30 117.35 113.20 2x5a s TYR 176 Ca 0.00 -0.82 0.03 0.00 -0.52 0.00 0.00 57.07 55.76 2x5a s TYR 176 Cb 0.00 -1.31 0.01 0.00 0.38 0.00 0.00 41.96 41.04 2x5a s TYR 176 CO 0.00 -0.47 -0.21 0.95 -1.52 0.00 0.00 175.55 174.30 2x5a s THR 177 N 1.21 1.95 0.30 -3.49 -4.23 0.55 -4.89 115.64 107.04 2x5a s THR 177 Ca -0.03 -0.93 -0.30 0.00 -1.18 0.00 0.00 61.69 59.25 2x5a s THR 177 Cb -0.14 -1.72 -0.12 0.00 1.34 0.00 0.00 72.50 71.86 2x5a s THR 177 CO -0.04 0.53 1.53 -1.22 -0.54 0.00 0.00 174.62 174.88 2x5a n TYR 178 N 3.91 2.71 0.17 3.99 4.01 -1.26 -3.50 117.16 127.18 2x5a n TYR 178 Ca -0.20 0.33 -0.14 0.00 -0.16 0.00 0.00 57.90 57.73 2x5a n TYR 178 Cb 0.52 -2.55 -0.08 0.00 -0.31 0.00 0.00 39.34 36.91 2x5a n TYR 178 CO 0.00 0.00 0.00 0.10 -0.46 0.00 0.00 176.86 176.50 2x5a h TYR 179 N 4.33 -0.39 -0.04 -0.72 -0.00 -1.89 -3.48 116.97 114.79 2x5a h TYR 179 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 58.73 58.25 2x5a h TYR 179 Cb 1.24 0.13 0.00 0.00 0.00 0.00 0.00 36.73 38.10 2x5a h TYR 179 CO 0.57 -0.11 0.00 0.41 -0.00 0.00 0.00 178.16 179.03 2x5a n GLY 180 N -0.68 1.70 3.19 0.10 0.00 -1.26 -1.82 105.19 106.42 2x5a n GLY 180 Ca -0.10 -0.36 -0.25 0.00 0.00 0.00 0.00 46.02 45.31 2x5a n GLY 180 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2x5a s GLU 181 N 1.87 1.40 -0.02 1.61 2.02 -1.26 -5.02 118.70 119.30 2x5a s GLU 181 Ca 0.00 -0.72 -0.30 0.00 0.02 0.00 0.00 54.97 53.97 2x5a s GLU 181 Cb 0.00 -1.39 -0.07 0.00 0.10 0.00 0.00 34.13 32.77 2x5a s GLU 181 CO 0.00 0.37 1.83 -1.54 0.02 0.00 0.00 175.26 175.95 2x5a s SER 182 N -0.65 6.49 -1.05 -0.19 1.04 -1.26 -2.32 113.70 115.76 2x5a s SER 182 Ca 0.07 2.41 -0.04 0.00 0.48 0.00 0.00 55.95 58.86 2x5a s SER 182 Cb -0.07 -2.53 -0.04 0.00 0.10 0.00 0.00 66.02 63.47 2x5a s SER 182 CO 0.00 -1.05 0.90 -0.67 0.98 0.00 0.00 173.24 173.40 2x5a n ASP 183 N 7.61 -4.95 0.26 7.02 2.03 -1.26 -4.90 116.55 122.36 2x5a n ASP 183 Ca 0.19 -0.65 0.18 0.00 0.52 0.00 0.00 54.79 55.03 2x5a n ASP 183 Cb 0.42 -4.97 0.88 0.00 -0.72 0.00 0.00 41.12 36.72 2x5a n ASP 183 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 2x5a h ILE 184 N -1.30 0.00 0.00 5.18 6.09 -1.81 -3.00 117.51 122.67 2x5a h ILE 184 Ca -0.58 -0.12 0.00 0.00 -1.37 0.00 0.00 64.86 62.79 2x5a h ILE 184 Cb 1.31 0.95 0.00 0.00 0.47 0.00 0.00 36.82 39.55 2x5a h ILE 184 CO 0.44 0.00 0.00 -0.67 -3.07 0.00 0.00 178.15 174.85 2x5a n ASP 185 N -2.77 0.33 0.10 2.19 -0.08 -1.26 -2.04 116.55 113.01 2x5a n ASP 185 Ca -0.01 0.63 -0.05 0.00 -1.51 0.00 0.00 54.79 53.84 2x5a n ASP 185 Cb 0.12 -0.68 0.02 0.00 2.34 0.00 0.00 41.12 42.92 2x5a n ASP 185 CO 0.00 0.00 0.00 0.08 0.12 0.00 0.00 177.20 177.40 2x5a h ARG 186 N 0.00 0.05 -6.12 -0.67 0.11 -1.91 -3.44 114.38 102.39 2x5a h ARG 186 Ca 0.00 -0.05 -0.57 0.00 0.10 0.00 0.00 59.98 59.45 2x5a h ARG 186 Cb 0.09 0.01 -0.05 0.00 1.11 0.00 0.00 29.97 31.14 2x5a h ARG 186 CO 0.00 0.84 0.81 -0.51 0.10 0.00 0.00 179.97 181.21 2x5a s LEU 187 N -7.24 4.14 -0.08 0.08 2.01 -0.86 -5.02 118.68 111.71 2x5a s LEU 187 Ca -0.01 1.50 -0.03 0.00 0.01 0.00 0.00 54.13 55.60 2x5a s LEU 187 Cb 0.11 -3.54 0.05 0.00 0.01 0.00 0.00 46.19 42.82 2x5a s LEU 187 CO 0.80 -0.68 0.17 -0.94 1.01 0.00 0.00 176.35 176.71 2x5a s SER 188 N 1.44 0.32 -0.17 2.29 1.04 -1.26 -3.91 113.70 113.44 2x5a s SER 188 Ca 0.48 0.36 -0.02 0.00 0.48 0.00 0.00 55.95 57.24 2x5a s SER 188 Cb -0.18 0.29 -0.01 0.00 0.10 0.00 0.00 66.02 66.22 2x5a s SER 188 CO 0.10 -0.20 -0.08 -0.60 0.98 0.00 0.00 173.24 173.44 2x5a s ARG 189 N 1.81 3.44 -0.67 4.02 3.52 -0.97 -4.93 118.95 125.17 2x5a s ARG 189 Ca -0.03 -0.63 -0.18 0.00 -0.13 0.00 0.00 55.73 54.77 2x5a s ARG 189 Cb -0.12 -2.84 0.13 0.00 -1.56 0.00 0.00 34.95 30.56 2x5a s ARG 189 CO -0.06 0.06 0.75 -1.58 -0.81 0.00 0.00 175.30 173.66 2x5a s TRP 190 N 0.79 3.15 0.03 5.12 0.52 -1.26 0.09 118.94 127.38 2x5a s TRP 190 Ca -0.03 -1.20 -0.26 0.00 0.02 0.00 0.00 56.10 54.63 2x5a s TRP 190 Cb -0.15 -4.00 -0.05 0.00 -1.15 0.00 0.00 33.47 28.12 2x5a s TRP 190 CO 0.01 -1.25 0.82 0.34 0.02 0.00 0.00 176.95 176.89 2x5a s ASP 191 N 3.41 7.24 -0.28 2.95 -1.08 -1.26 -1.79 116.67 125.86 2x5a s ASP 191 Ca 0.14 1.49 -0.01 0.00 -0.52 0.00 0.00 52.55 53.66 2x5a s ASP 191 Cb -0.20 -2.49 0.05 0.00 -1.46 0.00 0.00 42.92 38.81 2x5a s ASP 191 CO 0.02 -0.06 -0.04 -0.63 0.52 0.00 0.00 175.17 174.98 2x5a s ILE 192 N 0.25 2.80 -0.19 4.11 1.01 -0.53 -4.97 121.20 123.67 2x5a s ILE 192 Ca 0.42 -1.36 0.13 0.00 0.00 0.00 0.00 60.65 59.83 2x5a s ILE 192 Cb -0.21 -2.58 -0.21 0.00 0.01 0.00 0.00 42.46 39.48 2x5a s ILE 192 CO 0.24 -0.03 0.00 0.29 0.00 0.00 0.00 174.94 175.44 2x5a n LYS 193 N 4.59 0.90 -4.30 2.79 5.02 -1.26 -1.81 118.16 124.10 2x5a n LYS 193 Ca -0.14 0.02 -0.20 0.00 -2.02 0.00 0.00 58.31 55.98 2x5a n LYS 193 Cb 0.44 -1.47 -0.11 0.00 -0.02 0.00 0.00 35.03 33.87 2x5a n LYS 193 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2x5a s GLU 194 N -2.45 1.18 0.13 1.97 0.41 -1.26 -4.85 118.70 113.83 2x5a s GLU 194 Ca -0.14 -1.36 -0.31 0.00 -0.41 0.00 0.00 54.97 52.74 2x5a s GLU 194 Cb 0.06 -1.14 -0.09 0.00 -1.78 0.00 0.00 34.13 31.18 2x5a s GLU 194 CO 0.71 0.22 1.55 -2.00 -0.49 0.00 0.00 175.26 175.25 2x5a s GLU 195 N -2.85 4.23 0.35 1.61 2.12 -1.26 -4.73 118.70 118.17 2x5a s GLU 195 Ca 0.14 2.29 0.09 0.00 0.36 0.00 0.00 54.97 57.85 2x5a s GLU 195 Cb -0.05 -3.27 -0.06 0.00 0.26 0.00 0.00 34.13 31.01 2x5a s GLU 195 CO 0.05 -0.60 -0.04 0.96 -0.54 0.00 0.00 175.26 175.09 2x5a s ILE 196 N 1.46 2.31 -0.01 -3.70 -5.25 -0.75 -4.68 121.20 110.58 2x5a s ILE 196 Ca 0.70 -2.10 -0.04 0.00 -0.99 0.00 0.00 60.65 58.21 2x5a s ILE 196 Cb -0.41 -2.74 -0.02 0.00 2.95 0.00 0.00 42.46 42.23 2x5a s ILE 196 CO 0.31 -0.17 -0.09 2.22 -1.79 0.00 0.00 174.94 175.42 2x5a n PHE 197 N -0.87 0.00 -4.43 1.37 1.16 -1.19 -1.62 117.46 111.87 2x5a n PHE 197 Ca -0.05 0.00 -0.26 0.00 -1.87 0.00 0.00 57.45 55.27 2x5a n PHE 197 Cb 0.64 -0.17 -0.11 0.00 -1.61 0.00 0.00 39.48 38.22 2x5a n PHE 197 CO 0.00 0.00 0.00 -1.12 -1.87 0.00 0.00 176.76 173.77 2x5a s SER 198 N -5.88 3.52 -0.22 5.98 0.01 -1.23 -4.46 113.70 111.43 2x5a s SER 198 Ca -0.09 -0.90 -0.15 0.00 1.31 0.00 0.00 55.95 56.13 2x5a s SER 198 Cb 0.02 -0.29 0.06 0.00 0.21 0.00 0.00 66.02 66.02 2x5a s SER 198 CO 0.12 0.10 0.55 0.72 0.41 0.00 0.00 173.24 175.13 2x5a s PHE 199 N -1.92 -0.76 -1.14 2.43 -0.71 -1.26 -2.25 117.98 112.37 2x5a s PHE 199 Ca 0.24 1.63 -0.09 0.00 -1.04 0.00 0.00 56.93 57.67 2x5a s PHE 199 Cb -0.07 0.37 0.26 0.00 -1.21 0.00 0.00 43.02 42.37 2x5a s PHE 199 CO 0.12 -0.39 1.33 -0.12 -1.34 0.00 0.00 175.22 174.82 2x5a n MET 200 N 3.82 3.74 -3.39 1.99 1.56 -0.44 -2.38 117.12 122.03 2x5a n MET 200 Ca -0.19 -4.28 -0.38 0.00 -0.27 0.00 0.00 57.70 52.57 2x5a n MET 200 Cb 0.57 -2.67 -0.06 0.00 2.15 0.00 0.00 33.22 33.21 2x5a n MET 200 CO 0.00 0.00 0.00 0.20 -0.73 0.00 0.00 175.97 175.44 2x5a s GLY 201 N 0.82 2.43 -0.38 -5.12 0.00 -0.58 -2.99 107.32 101.50 2x5a s GLY 201 Ca 0.34 -0.20 -0.09 0.00 0.00 0.00 0.00 44.72 44.78 2x5a s GLY 201 CO -0.01 0.52 0.20 -0.42 0.00 0.00 0.00 173.10 173.39 2x5a s ILE 202 N -0.08 4.15 -0.11 0.90 1.01 0.76 -1.54 121.20 126.29 2x5a s ILE 202 Ca 0.25 -1.20 -0.11 0.00 0.00 0.00 0.00 60.65 59.59 2x5a s ILE 202 Cb -0.16 -3.44 -0.05 0.00 0.01 0.00 0.00 42.46 38.83 2x5a s ILE 202 CO 0.12 -0.34 0.25 -0.76 0.00 0.00 0.00 174.94 174.20 2x5a s LEU 203 N 1.44 4.35 -0.35 2.97 1.43 0.11 -1.20 118.68 127.43 2x5a s LEU 203 Ca 0.01 0.58 -0.02 0.00 -1.03 0.00 0.00 54.13 53.67 2x5a s LEU 203 Cb -0.21 -2.28 0.08 0.00 0.03 0.00 0.00 46.19 43.81 2x5a s LEU 203 CO 0.03 0.28 0.09 -0.31 0.23 0.00 0.00 176.35 176.68 2x5a s TYR 204 N -0.51 3.43 0.47 0.29 2.02 -0.70 0.16 117.35 122.51 2x5a s TYR 204 Ca 0.17 -2.14 -0.20 0.00 -0.37 0.00 0.00 57.07 54.52 2x5a s TYR 204 Cb -0.13 -2.62 -0.09 0.00 -0.40 0.00 0.00 41.96 38.72 2x5a s TYR 204 CO 0.06 -0.88 1.00 -2.14 -1.57 0.00 0.00 175.55 172.02 2x5a s PRO 205 N 1.19 3.95 -0.05 -1.71 0.02 -1.26 -1.12 135.00 136.04 2x5a s PRO 205 Ca 0.01 1.24 -0.04 0.00 0.02 0.00 0.00 61.00 62.24 2x5a s PRO 205 Cb -0.21 -2.13 -0.01 0.00 0.02 0.00 0.00 34.50 32.17 2x5a s PRO 205 CO -0.03 -0.28 -0.07 1.63 -0.33 0.00 0.00 177.00 177.92 2x5a n LYS 206 N -0.92 0.14 -4.29 5.54 5.02 -0.74 -4.68 118.16 118.24 2x5a n LYS 206 Ca 0.08 0.23 -0.35 0.00 -2.02 0.00 0.00 58.31 56.26 2x5a n LYS 206 Cb 0.53 -0.93 -0.10 0.00 -0.02 0.00 0.00 35.03 34.51 2x5a n LYS 206 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2x5a s LEU 207 N -5.69 3.63 0.41 -0.35 1.43 -1.26 -4.99 118.68 111.86 2x5a s LEU 207 Ca -0.06 0.12 -0.23 0.00 -1.03 0.00 0.00 54.13 52.94 2x5a s LEU 207 Cb 0.01 -1.85 -0.10 0.00 0.03 0.00 0.00 46.19 44.28 2x5a s LEU 207 CO 0.09 0.32 1.00 -2.16 0.23 0.00 0.00 176.35 175.83 2x5a s PRO 208 N -0.55 4.18 -0.02 1.29 0.04 -1.26 -3.73 135.00 134.95 2x5a s PRO 208 Ca 0.10 1.34 0.00 0.00 0.04 0.00 0.00 61.00 62.48 2x5a s PRO 208 Cb -0.12 -2.39 0.00 0.00 0.04 0.00 0.00 34.50 32.03 2x5a s PRO 208 CO 0.02 -0.10 0.00 1.63 0.04 0.00 0.00 177.00 178.59 2x5a n LYS 209 N -0.31 -0.57 -4.90 4.56 5.02 -0.34 -5.00 118.16 116.63 2x5a n LYS 209 Ca 0.06 0.16 -0.33 0.00 -2.02 0.00 0.00 58.31 56.18 2x5a n LYS 209 Cb 0.51 -3.60 -0.14 0.00 -0.02 0.00 0.00 35.03 31.78 2x5a n LYS 209 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2x5a s THR 210 N -1.73 2.89 -0.07 -0.18 2.01 -1.24 -4.90 115.64 112.43 2x5a s THR 210 Ca 0.00 -0.75 -0.33 0.00 0.31 0.00 0.00 61.69 60.92 2x5a s THR 210 Cb 0.00 -2.16 -0.11 0.00 0.01 0.00 0.00 72.50 70.24 2x5a s THR 210 CO 0.00 0.56 1.91 -0.81 -0.69 0.00 0.00 174.62 175.59 2x5a n PRO 211 N 3.00 2.30 -4.99 4.92 -0.04 -1.26 -4.64 135.00 134.30 2x5a n PRO 211 Ca -0.18 0.84 -0.32 0.00 -0.04 0.00 0.00 63.50 63.80 2x5a n PRO 211 Cb 0.52 -2.73 -0.14 0.00 -0.04 0.00 0.00 33.50 31.11 2x5a n PRO 211 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2x5a s ALA 212 N 4.30 2.49 0.00 0.55 0.00 0.15 -4.27 121.76 124.98 2x5a s ALA 212 Ca 0.92 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 51.90 2x5a s ALA 212 Cb -0.64 -0.93 0.00 0.00 0.00 0.00 0.00 23.12 21.55 2x5a s ALA 212 CO 0.50 0.44 0.00 0.41 0.00 0.00 0.00 175.76 177.10 2x5a n GLY 213 N 2.80 2.74 3.84 0.00 0.00 -0.62 -0.44 105.19 113.52 2x5a n GLY 213 Ca -0.17 -1.56 -0.33 0.00 0.00 0.00 0.00 46.02 43.96 2x5a n GLY 213 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2x5a s VAL 214 N -1.95 4.61 0.12 1.61 -7.23 -1.21 -1.34 120.40 115.00 2x5a s VAL 214 Ca 0.00 1.08 0.09 0.00 -1.81 0.00 0.00 61.98 61.34 2x5a s VAL 214 Cb 0.00 -3.61 -0.04 0.00 0.56 0.00 0.00 36.38 33.30 2x5a s VAL 214 CO 0.00 -0.23 -0.21 0.00 -0.31 0.00 0.00 175.10 174.35 2x5a s ARG 215 N -3.05 1.18 -0.14 4.82 1.70 -0.40 -0.90 118.95 122.16 2x5a s ARG 215 Ca 0.56 -1.23 0.01 0.00 -0.47 0.00 0.00 55.73 54.60 2x5a s ARG 215 Cb -0.10 -1.42 -0.01 0.00 -0.57 0.00 0.00 34.95 32.85 2x5a s ARG 215 CO 0.16 0.32 -0.16 -0.06 -1.08 0.00 0.00 175.30 174.49 2x5a s PHE 216 N -1.32 2.75 -0.10 5.89 0.08 0.59 -1.18 117.98 124.68 2x5a s PHE 216 Ca 0.09 -0.91 -0.02 0.00 0.12 0.00 0.00 56.93 56.21 2x5a s PHE 216 Cb -0.09 -1.84 -0.03 0.00 -0.57 0.00 0.00 43.02 40.49 2x5a s PHE 216 CO 0.05 -0.38 -0.02 -0.51 -0.10 0.00 0.00 175.22 174.26 2x5a s LEU 217 N 0.58 3.41 0.00 -0.37 1.43 0.83 -1.99 118.68 122.56 2x5a s LEU 217 Ca -0.10 0.04 -0.10 0.00 -1.03 0.00 0.00 54.13 52.95 2x5a s LEU 217 Cb -0.16 -1.78 0.14 0.00 0.03 0.00 0.00 46.19 44.42 2x5a s LEU 217 CO 0.03 0.32 0.84 -0.90 0.23 0.00 0.00 176.35 176.87 2x5a n ASP 218 N 2.51 0.15 0.32 2.29 3.85 -0.56 -0.84 116.55 124.28 2x5a n ASP 218 Ca -0.18 -1.36 0.21 0.00 -0.71 0.00 0.00 54.79 52.76 2x5a n ASP 218 Cb 0.53 -0.63 1.10 0.00 -1.35 0.00 0.00 41.12 40.77 2x5a n ASP 218 CO 0.00 0.00 0.00 -2.24 -1.01 0.00 0.00 177.20 173.95 2x5a h ASP 219 N -1.05 0.00 -0.35 -1.12 -0.00 -1.89 -2.71 116.42 109.30 2x5a h ASP 219 Ca -0.27 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.76 2x5a h ASP 219 Cb 0.77 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.10 2x5a h ASP 219 CO 0.20 0.00 0.00 2.30 -0.00 0.00 0.00 179.24 181.74 2x5a n ILE 220 N -3.12 0.53 -1.87 4.15 -5.35 -1.26 -4.98 119.36 107.46 2x5a n ILE 220 Ca -0.02 -0.76 -0.01 0.00 -0.27 0.00 0.00 62.75 61.68 2x5a n ILE 220 Cb 0.12 0.94 -0.00 0.00 -1.74 0.00 0.00 39.64 38.96 2x5a n ILE 220 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2x5a n GLY 221 N 1.28 0.34 3.65 3.28 0.00 -1.02 -5.07 105.19 107.65 2x5a n GLY 221 Ca 0.17 -0.87 -0.33 0.00 0.00 0.00 0.00 46.02 44.99 2x5a n GLY 221 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2x5a s ASN 222 N -2.95 4.96 0.03 1.61 0.01 -1.26 -4.89 114.94 112.45 2x5a s ASN 222 Ca 0.00 -0.03 -0.27 0.00 -0.71 0.00 0.00 52.86 51.84 2x5a s ASN 222 Cb 0.00 -1.26 -0.05 0.00 0.41 0.00 0.00 41.25 40.35 2x5a s ASN 222 CO 0.00 0.30 0.87 -0.70 -1.51 0.00 0.00 177.10 176.05 2x5a s GLU 223 N -1.39 4.56 -0.13 -0.60 2.12 -1.26 -1.50 118.70 120.50 2x5a s GLU 223 Ca 0.18 1.24 -0.02 0.00 0.36 0.00 0.00 54.97 56.72 2x5a s GLU 223 Cb -0.11 -3.41 -0.07 0.00 0.26 0.00 0.00 34.13 30.80 2x5a s GLU 223 CO 0.08 0.14 -0.14 2.48 -0.54 0.00 0.00 175.26 177.28 2x5a n TYR 224 N 3.25 0.00 -4.01 5.30 0.18 -0.84 -4.99 117.16 116.05 2x5a n TYR 224 Ca 0.01 0.00 -0.09 0.00 1.88 0.00 0.00 57.90 59.71 2x5a n TYR 224 Cb 0.50 -0.48 -0.11 0.00 -0.38 0.00 0.00 39.34 38.88 2x5a n TYR 224 CO 0.00 0.00 0.00 -0.08 -2.08 0.00 0.00 176.86 174.70 2x5a s THR 225 N -2.25 0.17 -0.21 -3.48 -1.32 -1.26 -4.35 115.64 102.95 2x5a s THR 225 Ca -0.18 -1.16 -0.10 0.00 -1.21 0.00 0.00 61.69 59.05 2x5a s THR 225 Cb 0.05 -0.61 0.08 0.00 -1.51 0.00 0.00 72.50 70.51 2x5a s THR 225 CO 0.27 -0.62 0.49 0.00 -2.21 0.00 0.00 174.62 172.54 2x5a s ALA 226 N -2.09 -1.34 -1.07 11.08 0.00 -0.59 -0.30 121.76 127.45 2x5a s ALA 226 Ca -0.10 1.77 -0.09 0.00 0.00 0.00 0.00 51.96 53.55 2x5a s ALA 226 Cb -0.05 -1.23 0.27 0.00 0.00 0.00 0.00 23.12 22.11 2x5a s ALA 226 CO -0.03 -0.51 1.06 0.42 0.00 0.00 0.00 175.76 176.70 2x5a s ILE 227 N 1.97 5.83 -0.14 0.00 1.01 -0.08 -2.40 121.20 127.40 2x5a s ILE 227 Ca -0.07 -3.41 -0.03 0.00 0.00 0.00 0.00 60.65 57.14 2x5a s ILE 227 Cb -0.09 -4.51 -0.03 0.00 0.01 0.00 0.00 42.46 37.83 2x5a s ILE 227 CO -0.15 -1.17 -0.03 0.54 0.00 0.00 0.00 174.94 174.14 2x5a s VAL 228 N -1.18 4.02 -0.03 2.92 0.11 -1.26 -3.30 120.40 121.68 2x5a s VAL 228 Ca 0.30 -0.32 0.06 0.00 -2.93 0.00 0.00 61.98 59.08 2x5a s VAL 228 Cb -0.10 -2.74 -0.02 0.00 -1.53 0.00 0.00 36.38 31.99 2x5a s VAL 228 CO -0.08 0.52 -0.21 -0.36 -3.33 0.00 0.00 175.10 171.64 2x5a s PHE 229 N 0.03 2.50 -0.50 1.54 0.08 0.42 -1.17 117.98 120.88 2x5a s PHE 229 Ca 0.01 -0.31 0.02 0.00 0.12 0.00 0.00 56.93 56.77 2x5a s PHE 229 Cb -0.13 -1.56 0.13 0.00 -0.57 0.00 0.00 43.02 40.89 2x5a s PHE 229 CO 0.02 0.07 0.26 -1.59 -0.10 0.00 0.00 175.22 173.88 2x5a s LYS 230 N -0.69 2.02 0.50 0.44 -2.85 -1.25 0.32 119.74 118.24 2x5a s LYS 230 Ca 0.11 -2.39 -0.06 0.00 -1.00 0.00 0.00 55.97 52.62 2x5a s LYS 230 Cb -0.10 -3.42 -0.04 0.00 -2.06 0.00 0.00 37.83 32.21 2x5a s LYS 230 CO -0.00 -1.09 0.83 0.95 0.10 0.00 0.00 175.35 176.14 2x5a s THR 231 N 0.11 4.87 -0.01 3.79 -4.23 -1.26 -4.93 115.64 113.97 2x5a s THR 231 Ca 0.15 0.34 -0.12 0.00 -1.18 0.00 0.00 61.69 60.88 2x5a s THR 231 Cb -0.23 -3.86 -0.33 0.00 1.34 0.00 0.00 72.50 69.43 2x5a s THR 231 CO -0.03 -0.88 0.81 -0.33 -0.54 0.00 0.00 174.62 173.66 2x5a h GLU 232 N 0.20 0.45 -5.93 3.99 3.07 -1.96 -0.90 114.58 113.49 2x5a h GLU 232 Ca -0.46 -0.76 -0.56 0.00 -0.50 0.00 0.00 59.36 57.08 2x5a h GLU 232 Cb 1.20 0.28 -0.14 0.00 -0.84 0.00 0.00 28.75 29.26 2x5a h GLU 232 CO 0.62 1.36 -0.73 -0.65 -1.40 0.00 0.00 179.01 178.20 2x5a s GLN 233 N -2.59 1.59 -0.11 2.33 1.11 -1.26 -4.31 119.66 116.41 2x5a s GLN 233 Ca -0.13 -1.74 -0.29 0.00 0.01 0.00 0.00 55.36 53.21 2x5a s GLN 233 Cb 0.05 -1.52 -0.04 0.00 -1.01 0.00 0.00 33.01 30.49 2x5a s GLN 233 CO 0.89 0.24 1.57 0.08 0.01 0.00 0.00 175.29 178.08 2x5a s VAL 234 N -2.70 3.74 0.06 1.09 1.01 -1.26 -4.79 120.40 117.56 2x5a s VAL 234 Ca 0.28 0.88 -0.22 0.00 0.00 0.00 0.00 61.98 62.92 2x5a s VAL 234 Cb -0.02 -3.61 -0.06 0.00 0.00 0.00 0.00 36.38 32.69 2x5a s VAL 234 CO 0.13 -0.12 0.67 -1.10 0.00 0.00 0.00 175.10 174.67 2x5a s GLN 235 N 4.08 4.39 0.21 2.72 -1.52 -1.26 -4.95 119.66 123.33 2x5a s GLN 235 Ca 0.69 0.91 -0.09 0.00 -1.95 0.00 0.00 55.36 54.92 2x5a s GLN 235 Cb -0.29 -3.30 0.21 0.00 -0.22 0.00 0.00 33.01 29.40 2x5a s GLN 235 CO 0.27 0.46 1.85 -0.44 -0.25 0.00 0.00 175.29 177.18 2x5a h ASP 236 N 5.08 0.75 -4.42 5.90 5.19 -1.18 -3.36 116.42 124.38 2x5a h ASP 236 Ca -0.46 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 55.91 2x5a h ASP 236 Cb 1.21 -0.16 -0.20 0.00 0.18 0.00 0.00 39.33 40.35 2x5a h ASP 236 CO 0.68 0.51 0.19 -0.72 -3.12 0.00 0.00 179.24 176.78 2x5a s TYR 237 N -6.11 -0.70 -0.24 4.55 1.13 -1.00 -4.42 117.35 110.57 2x5a s TYR 237 Ca -0.13 1.47 -0.09 0.00 -1.41 0.00 0.00 57.07 56.91 2x5a s TYR 237 Cb 0.16 0.35 -0.04 0.00 -1.10 0.00 0.00 41.96 41.32 2x5a s TYR 237 CO 0.77 -0.48 0.13 0.42 -2.51 0.00 0.00 175.55 173.88 2x5a s ILE 238 N -0.41 5.02 -0.47 -3.49 1.01 0.42 -0.08 121.20 123.19 2x5a s ILE 238 Ca -0.05 0.06 -0.10 0.00 0.00 0.00 0.00 60.65 60.56 2x5a s ILE 238 Cb -0.03 -3.34 0.12 0.00 0.01 0.00 0.00 42.46 39.23 2x5a s ILE 238 CO 0.05 0.35 0.35 -0.22 0.00 0.00 0.00 174.94 175.47 2x5a s LEU 239 N 1.15 5.69 -0.15 2.97 0.20 0.46 0.06 118.68 129.06 2x5a s LEU 239 Ca 0.06 -1.86 -0.02 0.00 0.69 0.00 0.00 54.13 53.00 2x5a s LEU 239 Cb -0.14 -2.03 -0.02 0.00 -0.43 0.00 0.00 46.19 43.57 2x5a s LEU 239 CO 0.05 -0.69 -0.07 0.27 -0.29 0.00 0.00 176.35 175.61 2x5a s ILE 240 N 1.39 3.52 -0.07 6.68 -5.25 -0.59 -1.90 121.20 124.99 2x5a s ILE 240 Ca 0.05 -0.49 0.03 0.00 -0.99 0.00 0.00 60.65 59.25 2x5a s ILE 240 Cb -0.26 -2.52 0.01 0.00 2.95 0.00 0.00 42.46 42.63 2x5a s ILE 240 CO -0.00 0.50 -0.16 0.21 -1.79 0.00 0.00 174.94 173.70 2x5a s ASN 241 N 0.43 2.16 0.00 4.36 3.84 0.60 -1.52 114.94 124.80 2x5a s ASN 241 Ca -0.06 -0.37 0.26 0.00 0.21 0.00 0.00 52.86 52.90 2x5a s ASN 241 Cb -0.15 -0.92 0.77 0.00 -0.55 0.00 0.00 41.25 40.40 2x5a s ASN 241 CO 0.04 0.09 1.58 0.41 -2.79 0.00 0.00 177.10 176.43 2x5a n THR 242 N 3.61 0.00 -1.67 -5.21 -1.04 -1.00 -2.51 114.28 106.45 2x5a n THR 242 Ca -0.21 -0.05 -0.46 0.00 -2.04 0.00 0.00 64.05 61.29 2x5a n THR 242 Cb 0.52 0.18 -0.04 0.00 -1.82 0.00 0.00 70.33 69.18 2x5a n THR 242 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2x5a n ASP 243 N -1.11 3.21 -0.16 8.00 2.03 -1.26 -4.76 116.55 122.50 2x5a n ASP 243 Ca 0.09 1.07 -0.08 0.00 0.52 0.00 0.00 54.79 56.40 2x5a n ASP 243 Cb 0.33 -1.44 0.01 0.00 -0.72 0.00 0.00 41.12 39.30 2x5a n ASP 243 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 2x5a h VAL 244 N 3.72 1.17 -0.66 5.18 -1.51 -1.96 -1.94 116.25 120.25 2x5a h VAL 244 Ca -0.45 -0.43 -0.08 0.00 -1.23 0.00 0.00 66.70 64.52 2x5a h VAL 244 Cb 1.25 0.60 -0.03 0.00 -2.13 0.00 0.00 31.29 30.98 2x5a h VAL 244 CO 0.90 0.18 0.11 0.78 -1.23 0.00 0.00 177.57 178.31 2x5a h ASN 245 N 0.62 1.05 -2.10 4.19 2.35 -2.00 -3.34 115.58 116.35 2x5a h ASN 245 Ca 0.16 -0.26 -0.54 0.00 -0.55 0.00 0.00 56.30 55.12 2x5a h ASN 245 Cb 0.06 -0.28 -0.41 0.00 0.05 0.00 0.00 38.32 37.74 2x5a h ASN 245 CO -0.03 1.04 -0.96 -0.90 -1.65 0.00 0.00 177.43 174.93 2x5a n ASP 246 N -4.23 1.98 -4.73 5.81 5.75 -1.23 -5.11 116.55 114.79 2x5a n ASP 246 Ca 0.04 -3.17 -0.42 0.00 -0.01 0.00 0.00 54.79 51.24 2x5a n ASP 246 Cb 0.29 -0.62 -0.02 0.00 -1.03 0.00 0.00 41.12 39.74 2x5a n ASP 246 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 2x5a s GLU 247 N -2.43 4.22 -0.05 0.11 2.12 -0.73 -4.69 118.70 117.24 2x5a s GLU 247 Ca 0.41 2.38 0.03 0.00 0.36 0.00 0.00 54.97 58.15 2x5a s GLU 247 Cb 0.27 -3.11 0.01 0.00 0.26 0.00 0.00 34.13 31.56 2x5a s GLU 247 CO -0.09 -0.54 -0.12 0.99 -0.54 0.00 0.00 175.26 174.95 2x5a s THR 248 N 0.51 1.08 -0.45 -1.70 2.01 -1.05 -4.97 115.64 111.07 2x5a s THR 248 Ca 0.65 -0.47 0.04 0.00 0.31 0.00 0.00 61.69 62.22 2x5a s THR 248 Cb -0.44 -0.97 0.17 0.00 0.01 0.00 0.00 72.50 71.27 2x5a s THR 248 CO 0.39 0.34 0.36 -0.31 -0.69 0.00 0.00 174.62 174.70 2x5a s TYR 249 N 0.49 1.45 -0.09 4.92 2.02 -1.25 -0.29 117.35 124.59 2x5a s TYR 249 Ca -0.11 -2.45 0.02 0.00 -0.37 0.00 0.00 57.07 54.16 2x5a s TYR 249 Cb -0.14 -1.19 0.01 0.00 -0.40 0.00 0.00 41.96 40.25 2x5a s TYR 249 CO 0.03 -0.79 -0.15 1.14 -1.57 0.00 0.00 175.55 174.21 2x5a s GLN 250 N -0.12 2.09 -0.42 -0.62 -2.07 -0.80 -0.04 119.66 117.67 2x5a s GLN 250 Ca 0.31 -0.53 -0.20 0.00 -1.82 0.00 0.00 55.36 53.13 2x5a s GLN 250 Cb 0.01 -1.75 0.02 0.00 -1.09 0.00 0.00 33.01 30.20 2x5a s GLN 250 CO -0.18 -0.02 0.58 0.20 -1.32 0.00 0.00 175.29 174.55 2x5a s GLY 251 N 0.86 1.77 0.00 2.60 0.00 0.07 -0.41 107.32 112.21 2x5a s GLY 251 Ca -0.10 -1.25 -0.22 0.00 0.00 0.00 0.00 44.72 43.16 2x5a s GLY 251 CO 0.01 1.42 0.65 -0.98 0.00 0.00 0.00 173.10 174.20 2x5a s TRP 252 N 2.62 3.68 -0.18 1.90 0.52 0.88 -2.19 118.94 126.18 2x5a s TRP 252 Ca 0.20 1.27 -0.02 0.00 0.02 0.00 0.00 56.10 57.57 2x5a s TRP 252 Cb -0.15 -2.68 0.05 0.00 -1.15 0.00 0.00 33.47 29.55 2x5a s TRP 252 CO 0.17 0.31 0.01 0.21 0.02 0.00 0.00 176.95 177.67 2x5a s LYS 253 N -0.05 0.85 7.48 4.98 2.20 -0.76 -0.53 119.74 133.91 2x5a s LYS 253 Ca 0.33 -0.41 0.00 0.00 -0.36 0.00 0.00 55.97 55.53 2x5a s LYS 253 Cb -0.19 -1.98 0.00 0.00 -1.51 0.00 0.00 37.83 34.16 2x5a s LYS 253 CO 0.19 -0.56 0.00 0.41 -0.36 0.00 0.00 175.35 175.03 2x5a n GLY 254 N 5.00 3.07 0.61 5.54 0.00 -1.26 -1.73 105.19 116.42 2x5a n GLY 254 Ca -0.09 -0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.00 2x5a n GLY 254 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2x5a n THR 255 N 0.00 0.14 -3.57 2.61 -2.24 -1.26 -4.99 114.28 104.97 2x5a n THR 255 Ca 0.00 -0.57 -0.36 0.00 -2.27 0.00 0.00 64.05 60.84 2x5a n THR 255 Cb 0.00 1.18 -0.07 0.00 -2.10 0.00 0.00 70.33 69.34 2x5a n THR 255 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2x5a s THR 256 N -1.16 5.31 -0.22 4.28 2.01 -0.71 -5.09 115.64 120.06 2x5a s THR 256 Ca 0.19 0.51 -0.08 0.00 0.31 0.00 0.00 61.69 62.61 2x5a s THR 256 Cb 0.12 -3.61 -0.04 0.00 0.01 0.00 0.00 72.50 68.99 2x5a s THR 256 CO 0.18 0.42 0.09 0.00 -0.69 0.00 0.00 174.62 174.62 2x5a s ALA 257 N 0.29 3.37 -0.10 7.40 0.00 -1.26 -1.82 121.76 129.64 2x5a s ALA 257 Ca 0.16 -0.93 0.01 0.00 0.00 0.00 0.00 51.96 51.21 2x5a s ALA 257 Cb -0.13 -2.10 -0.02 0.00 0.00 0.00 0.00 23.12 20.88 2x5a s ALA 257 CO 0.04 -0.17 -0.14 -1.17 0.00 0.00 0.00 175.76 174.32 2x5a s LEU 258 N 1.03 2.70 -0.17 0.00 2.96 -0.93 -4.99 118.68 119.28 2x5a s LEU 258 Ca 0.05 -0.29 -0.29 0.00 -0.22 0.00 0.00 54.13 53.38 2x5a s LEU 258 Cb -0.14 -1.58 -0.01 0.00 0.50 0.00 0.00 46.19 44.96 2x5a s LEU 258 CO 0.03 0.23 1.26 0.21 -1.32 0.00 0.00 176.35 176.77 2x5a s ASN 259 N -0.06 6.94 0.00 3.68 2.47 -1.26 -0.75 114.94 125.96 2x5a s ASN 259 Ca -0.03 1.67 0.23 0.00 0.42 0.00 0.00 52.86 55.16 2x5a s ASN 259 Cb -0.14 -2.54 0.57 0.00 -1.45 0.00 0.00 41.25 37.69 2x5a s ASN 259 CO 0.04 -0.77 1.49 0.18 -3.72 0.00 0.00 177.10 174.32 2x5a n LEU 260 N 6.63 3.72 -0.07 3.21 4.77 0.94 -4.64 117.00 131.56 2x5a n LEU 260 Ca 0.14 -1.77 -0.07 0.00 -0.03 0.00 0.00 56.01 54.28 2x5a n LEU 260 Cb 0.45 -0.39 -0.01 0.00 -2.33 0.00 0.00 43.42 41.13 2x5a n LEU 260 CO 0.56 0.88 0.88 0.15 -1.33 0.00 0.00 177.39 178.53 2x5a h PHE 261 N 4.34 0.04 0.00 -1.77 3.57 -1.92 -2.72 116.94 118.47 2x5a h PHE 261 Ca 0.00 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.49 2x5a h PHE 261 Cb 0.98 0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.74 2x5a h PHE 261 CO 0.39 -0.01 -0.15 -1.35 -2.23 0.00 0.00 178.31 174.97 2x5a h PRO 262 N 0.11 0.00 -0.11 6.41 0.11 -1.97 -3.22 132.00 133.33 2x5a h PRO 262 Ca 0.12 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 66.02 2x5a h PRO 262 Cb 0.15 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.26 2x5a h PRO 262 CO -0.19 0.15 -0.79 0.28 -0.21 0.00 0.00 178.00 177.24 2x5a h VAL 263 N 0.00 1.32 -4.20 3.15 2.07 -1.84 -3.47 116.25 113.28 2x5a h VAL 263 Ca -0.00 -2.07 -0.54 0.00 0.82 0.00 0.00 66.70 64.91 2x5a h VAL 263 Cb 0.74 2.07 0.18 0.00 -1.52 0.00 0.00 31.29 32.76 2x5a h VAL 263 CO 0.02 0.64 0.35 1.15 0.02 0.00 0.00 177.57 179.75 2x5a n MET 264 N -3.89 0.22 -2.85 1.57 0.00 -1.04 -3.92 117.12 107.22 2x5a n MET 264 Ca -0.06 0.15 -0.43 0.00 0.00 0.00 0.00 57.70 57.36 2x5a n MET 264 Cb 0.75 -2.45 -0.04 0.00 0.00 0.00 0.00 33.22 31.48 2x5a n MET 264 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 2x5a s ASP 265 N -2.09 6.31 0.40 3.17 3.68 -0.32 -4.94 116.67 122.89 2x5a s ASP 265 Ca 0.74 -0.45 0.16 0.00 2.13 0.00 0.00 52.55 55.13 2x5a s ASP 265 Cb -0.30 -2.43 0.84 0.00 -1.45 0.00 0.00 42.92 39.58 2x5a s ASP 265 CO 0.50 -1.25 1.85 -0.26 0.13 0.00 0.00 175.17 176.14 2x5a h PHE 266 N 9.34 0.00 0.06 -5.34 0.04 -1.92 -2.94 116.94 116.18 2x5a h PHE 266 Ca -0.27 0.00 -0.26 0.00 2.80 0.00 0.00 57.97 60.24 2x5a h PHE 266 Cb 1.07 0.00 0.01 0.00 2.20 0.00 0.00 35.95 39.24 2x5a h PHE 266 CO 0.92 0.33 -1.10 0.93 -0.60 0.00 0.00 178.31 178.79 2x5a h GLU 267 N 0.00 0.49 -0.21 1.51 4.39 -1.96 -3.32 114.58 115.48 2x5a h GLU 267 Ca -0.00 -0.61 -0.14 0.00 0.34 0.00 0.00 59.36 58.95 2x5a h GLU 267 Cb 0.64 0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 29.47 2x5a h GLU 267 CO 0.04 1.24 -0.46 0.00 -1.16 0.00 0.00 179.01 178.67 2x5a h ARG 268 N 0.24 0.54 -4.99 2.33 3.08 -1.82 -3.36 114.38 110.40 2x5a h ARG 268 Ca -0.13 -0.30 -0.67 0.00 0.07 0.00 0.00 59.98 58.95 2x5a h ARG 268 Cb 1.76 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 31.78 2x5a h ARG 268 CO 0.20 0.90 2.54 0.98 -1.07 0.00 0.00 179.97 183.52 2x5a n TYR 269 N -4.00 3.95 -0.03 3.04 9.36 -1.01 -1.54 117.16 126.94 2x5a n TYR 269 Ca -0.02 -2.77 -0.15 0.00 3.32 0.00 0.00 57.90 58.27 2x5a n TYR 269 Cb 0.55 -2.56 -0.10 0.00 -0.63 0.00 0.00 39.34 36.60 2x5a n TYR 269 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2x5a h ARG 270 N 7.04 0.26 -4.22 2.98 2.47 -1.76 -3.48 114.38 117.68 2x5a h ARG 270 Ca 0.49 -0.24 -0.15 0.00 -1.26 0.00 0.00 59.98 58.82 2x5a h ARG 270 Cb 0.77 0.06 -0.17 0.00 -1.65 0.00 0.00 29.97 28.98 2x5a h ARG 270 CO 1.65 0.91 -0.69 -0.08 0.56 0.00 0.00 179.97 182.33 2x5a s THR 271 N -3.42 0.24 -0.03 2.04 -1.32 -1.26 -5.06 115.64 106.83 2x5a s THR 271 Ca -0.15 -1.56 -0.02 0.00 -1.21 0.00 0.00 61.69 58.75 2x5a s THR 271 Cb 0.02 -1.17 -0.27 0.00 -1.51 0.00 0.00 72.50 69.57 2x5a s THR 271 CO 0.76 -0.84 0.72 -0.09 -2.21 0.00 0.00 174.62 172.96 2x5a h ARG 272 N 3.57 0.22 -6.30 7.08 2.43 -1.92 -3.46 114.38 116.00 2x5a h ARG 272 Ca -0.34 -0.37 -0.55 0.00 -0.81 0.00 0.00 59.98 57.91 2x5a h ARG 272 Cb 1.16 0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.84 2x5a h ARG 272 CO 0.59 1.05 0.96 0.42 -1.51 0.00 0.00 179.97 181.48 2x5a s ILE 273 N -2.60 3.67 -0.14 1.20 -1.09 -1.26 -4.79 121.20 116.19 2x5a s ILE 273 Ca -0.11 0.94 -0.16 0.00 -2.23 0.00 0.00 60.65 59.08 2x5a s ILE 273 Cb 0.07 -3.61 -0.04 0.00 -1.58 0.00 0.00 42.46 37.30 2x5a s ILE 273 CO 0.83 -0.05 0.40 -0.63 -1.23 0.00 0.00 174.94 174.26 2x5a s ILE 274 N 3.26 5.24 0.39 2.92 -1.09 -0.64 -4.99 121.20 126.29 2x5a s ILE 274 Ca 0.67 0.79 0.08 0.00 -2.23 0.00 0.00 60.65 59.96 2x5a s ILE 274 Cb -0.32 -3.74 -0.00 0.00 -1.58 0.00 0.00 42.46 36.82 2x5a s ILE 274 CO 0.26 0.35 0.51 -1.61 -1.23 0.00 0.00 174.94 173.22 2x5a s GLU 275 N 0.57 2.86 0.15 2.79 0.41 -1.26 -1.82 118.70 122.40 2x5a s GLU 275 Ca 0.22 -1.22 -0.31 0.00 -0.41 0.00 0.00 54.97 53.24 2x5a s GLU 275 Cb -0.14 -2.72 -0.11 0.00 -1.78 0.00 0.00 34.13 29.38 2x5a s GLU 275 CO 0.08 -0.16 1.81 1.63 -0.49 0.00 0.00 175.26 178.12 2x5a n LYS 276 N -1.74 2.81 0.00 1.61 5.02 -1.26 -4.74 118.16 119.86 2x5a n LYS 276 Ca 0.05 1.02 0.00 0.00 -2.02 0.00 0.00 58.31 57.36 2x5a n LYS 276 Cb 0.59 -2.90 0.00 0.00 -0.02 0.00 0.00 35.03 32.70 2x5a n LYS 276 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2x5a n GLY 277 N 4.16 -0.50 3.13 0.72 0.00 -0.75 -3.21 105.19 108.75 2x5a n GLY 277 Ca 0.17 -0.14 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 2x5a n GLY 277 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2x5a s GLN 278 N 0.00 0.65 -0.13 1.61 -2.07 -0.02 -1.45 119.66 118.25 2x5a s GLN 278 Ca 0.00 -0.87 -0.03 0.00 -1.82 0.00 0.00 55.36 52.64 2x5a s GLN 278 Cb 0.00 0.25 -0.03 0.00 -1.09 0.00 0.00 33.01 32.15 2x5a s GLN 278 CO 0.00 -0.17 -0.03 1.41 -1.32 0.00 0.00 175.29 175.18 2x5a s MET 279 N -3.10 3.38 -0.04 9.60 -2.45 -0.74 -0.12 119.30 125.83 2x5a s MET 279 Ca -0.01 -0.50 0.03 0.00 -1.25 0.00 0.00 55.69 53.96 2x5a s MET 279 Cb 0.02 -2.84 -0.03 0.00 1.25 0.00 0.00 34.83 33.23 2x5a s MET 279 CO -0.07 0.41 -0.10 -1.21 1.05 0.00 0.00 175.02 175.10 2x5a s GLU 280 N -0.08 2.57 -0.29 4.11 2.02 -0.33 -4.12 118.70 122.58 2x5a s GLU 280 Ca 0.02 -0.67 -0.14 0.00 0.02 0.00 0.00 54.97 54.20 2x5a s GLU 280 Cb -0.13 -2.47 -0.03 0.00 0.10 0.00 0.00 34.13 31.60 2x5a s GLU 280 CO 0.02 0.63 0.35 -0.51 0.02 0.00 0.00 175.26 175.77 2x5a s LEU 281 N -0.97 4.13 -0.25 1.80 1.43 -1.26 -1.28 118.68 122.27 2x5a s LEU 281 Ca 0.13 0.13 -0.13 0.00 -1.03 0.00 0.00 54.13 53.23 2x5a s LEU 281 Cb -0.11 -2.37 -0.04 0.00 0.03 0.00 0.00 46.19 43.70 2x5a s LEU 281 CO 0.03 -0.20 0.26 -0.63 0.23 0.00 0.00 176.35 176.03 2x5a s ILE 282 N 2.02 5.27 -1.32 -0.59 1.01 -0.45 -4.49 121.20 122.65 2x5a s ILE 282 Ca 0.13 0.36 -0.04 0.00 0.00 0.00 0.00 60.65 61.10 2x5a s ILE 282 Cb -0.16 -3.60 -0.00 0.00 0.01 0.00 0.00 42.46 38.71 2x5a s ILE 282 CO 0.11 0.25 0.59 -3.20 0.00 0.00 0.00 174.94 172.68 2x5a n ASN 283 N 4.82 -1.58 -4.13 3.58 5.15 -1.26 -1.58 115.26 120.25 2x5a n ASN 283 Ca -0.12 -0.94 -0.23 0.00 -0.60 0.00 0.00 54.58 52.69 2x5a n ASN 283 Cb 0.52 -3.48 -0.15 0.00 -0.53 0.00 0.00 39.78 36.14 2x5a n ASN 283 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2x5a s LEU 284 N -6.75 2.05 -0.11 1.20 1.43 -1.26 -1.79 118.68 113.45 2x5a s LEU 284 Ca 0.09 -0.30 0.17 0.00 -1.03 0.00 0.00 54.13 53.06 2x5a s LEU 284 Cb -0.03 -0.77 -0.24 0.00 0.03 0.00 0.00 46.19 45.19 2x5a s LEU 284 CO 0.86 0.17 0.37 -1.54 0.23 0.00 0.00 176.35 176.43 2x5a n SER 285 N 2.59 0.36 -3.60 2.29 3.41 -0.27 -4.84 113.62 113.55 2x5a n SER 285 Ca -0.15 0.17 -0.14 0.00 -0.26 0.00 0.00 58.87 58.49 2x5a n SER 285 Cb 0.55 0.66 -0.06 0.00 -0.26 0.00 0.00 64.21 65.10 2x5a n SER 285 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2x5a s LYS 286 N -2.65 0.98 -0.15 4.33 2.20 -1.24 -5.06 119.74 118.13 2x5a s LYS 286 Ca -0.07 -0.18 -0.12 0.00 -0.36 0.00 0.00 55.97 55.23 2x5a s LYS 286 Cb 0.07 0.45 0.05 0.00 -1.51 0.00 0.00 37.83 36.89 2x5a s LYS 286 CO 0.83 -0.34 0.39 0.00 -0.36 0.00 0.00 175.35 175.88 2x5a s ALA 287 N -2.15 -0.98 -0.16 3.13 0.00 -1.26 -1.73 121.76 118.61 2x5a s ALA 287 Ca -0.07 1.25 0.01 0.00 0.00 0.00 0.00 51.96 53.15 2x5a s ALA 287 Cb -0.01 -0.74 0.03 0.00 0.00 0.00 0.00 23.12 22.39 2x5a s ALA 287 CO 0.00 -0.21 -0.13 -1.21 0.00 0.00 0.00 175.76 174.21 2x5a s GLU 288 N 0.68 2.27 0.03 0.00 2.02 -0.34 -4.99 118.70 118.36 2x5a s GLU 288 Ca -0.04 -0.65 0.09 0.00 0.02 0.00 0.00 54.97 54.39 2x5a s GLU 288 Cb -0.05 -2.21 -0.03 0.00 0.10 0.00 0.00 34.13 31.94 2x5a s GLU 288 CO -0.05 -0.28 -0.25 -0.06 0.02 0.00 0.00 175.26 174.64 2x5a s PHE 289 N 1.45 2.21 -0.24 1.61 0.08 -1.24 -0.17 117.98 121.67 2x5a s PHE 289 Ca 0.03 -0.41 0.00 0.00 0.12 0.00 0.00 56.93 56.68 2x5a s PHE 289 Cb -0.14 -1.35 0.07 0.00 -0.57 0.00 0.00 43.02 41.03 2x5a s PHE 289 CO -0.10 0.08 -0.03 0.15 -0.10 0.00 0.00 175.22 175.22 2x5a s LYS 290 N -1.06 1.45 -0.18 0.44 -0.14 -1.16 -1.13 119.74 117.95 2x5a s LYS 290 Ca 0.10 -0.99 -0.10 0.00 -1.36 0.00 0.00 55.97 53.62 2x5a s LYS 290 Cb -0.10 -2.54 -0.05 0.00 -1.68 0.00 0.00 37.83 33.47 2x5a s LYS 290 CO 0.01 -0.65 0.15 0.42 -0.76 0.00 0.00 175.35 174.52 2x5a s ILE 291 N 1.43 5.41 -0.26 2.17 1.09 0.14 -1.33 121.20 129.84 2x5a s ILE 291 Ca -0.03 0.24 -0.01 0.00 -1.10 0.00 0.00 60.65 59.74 2x5a s ILE 291 Cb -0.19 -3.48 0.04 0.00 -1.06 0.00 0.00 42.46 37.77 2x5a s ILE 291 CO -0.08 0.46 -0.05 -1.59 -0.10 0.00 0.00 174.94 173.58 2x5a s LYS 292 N 0.18 2.65 -0.11 2.79 -2.85 -0.95 -1.01 119.74 120.44 2x5a s LYS 292 Ca 0.10 -1.10 0.03 0.00 -1.00 0.00 0.00 55.97 54.00 2x5a s LYS 292 Cb -0.11 -3.02 -0.00 0.00 -2.06 0.00 0.00 37.83 32.63 2x5a s LYS 292 CO -0.00 -0.48 -0.22 0.50 0.10 0.00 0.00 175.35 175.25 2x5a s ARG 293 N 1.28 3.11 0.46 1.78 3.52 -0.98 -3.15 118.95 124.96 2x5a s ARG 293 Ca -0.02 -0.84 -0.20 0.00 -0.13 0.00 0.00 55.73 54.53 2x5a s ARG 293 Cb -0.18 -2.39 -0.10 0.00 -1.56 0.00 0.00 34.95 30.72 2x5a s ARG 293 CO -0.04 0.14 0.99 0.21 -0.81 0.00 0.00 175.30 175.80 2x5a s LYS 294 N 0.45 4.02 -0.07 5.12 2.20 -1.26 -0.98 119.74 129.22 2x5a s LYS 294 Ca -0.15 1.21 -0.03 0.00 -0.36 0.00 0.00 55.97 56.64 2x5a s LYS 294 Cb -0.17 -2.14 0.04 0.00 -1.51 0.00 0.00 37.83 34.05 2x5a s LYS 294 CO 0.06 -0.22 0.12 0.00 -0.36 0.00 0.00 175.35 174.95 2x5a s ALA 295 N -2.14 0.03 0.05 3.13 0.00 0.86 -4.95 121.76 118.75 2x5a s ALA 295 Ca 0.64 0.36 -0.24 0.00 0.00 0.00 0.00 51.96 52.72 2x5a s ALA 295 Cb -0.12 -0.75 -0.17 0.00 0.00 0.00 0.00 23.12 22.08 2x5a s ALA 295 CO 0.17 -0.57 1.58 -0.44 0.00 0.00 0.00 175.76 176.51 2x5a h ASP 296 N 8.40 -0.04 -3.35 0.00 5.19 -1.80 -3.37 116.42 121.45 2x5a h ASP 296 Ca -0.13 -0.14 -0.55 0.00 -0.62 0.00 0.00 57.03 55.59 2x5a h ASP 296 Cb 1.12 0.01 -0.34 0.00 0.18 0.00 0.00 39.33 40.30 2x5a h ASP 296 CO 0.15 0.12 -0.83 0.12 -3.12 0.00 0.00 179.24 175.69 2x5a s PHE 297 N -5.58 1.72 0.00 4.55 2.19 -1.26 -4.80 117.98 114.79 2x5a s PHE 297 Ca -0.14 -0.71 0.00 0.00 0.33 0.00 0.00 56.93 56.41 2x5a s PHE 297 Cb 0.05 -1.25 0.00 0.00 -1.31 0.00 0.00 43.02 40.51 2x5a s PHE 297 CO 0.66 -0.36 0.00 0.28 1.83 0.00 0.00 175.22 177.62