#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3it8 s THR 2 N 0.00 0.04 -0.13 7.28 2.01 -1.26 -1.69 115.64 121.89 3it8 s THR 2 Ca 0.00 -0.30 -0.01 0.00 0.31 0.00 0.00 61.69 61.68 3it8 s THR 2 Cb 0.00 -0.28 0.04 0.00 0.01 0.00 0.00 72.50 72.26 3it8 s THR 2 CO 0.00 -0.17 -0.02 -0.22 -0.69 0.00 0.00 174.62 173.53 3it8 s LEU 3 N -0.54 1.04 -0.06 4.42 2.96 -0.82 -0.08 118.68 125.60 3it8 s LEU 3 Ca -0.06 -0.41 0.03 0.00 -0.22 0.00 0.00 54.13 53.47 3it8 s LEU 3 Cb -0.04 -0.64 0.01 0.00 0.50 0.00 0.00 46.19 46.01 3it8 s LEU 3 CO 0.01 -0.20 -0.15 -0.75 -1.32 0.00 0.00 176.35 173.93 3it8 s LYS 4 N 1.83 1.86 -0.14 1.98 2.20 0.14 -1.17 119.74 126.44 3it8 s LYS 4 Ca 0.03 -0.53 -0.01 0.00 -0.36 0.00 0.00 55.97 55.10 3it8 s LYS 4 Cb -0.14 -1.54 -0.01 0.00 -1.51 0.00 0.00 37.83 34.63 3it8 s LYS 4 CO -0.07 0.12 -0.12 0.71 -0.36 0.00 0.00 175.35 175.64 3it8 s TYR 5 N 0.39 2.84 -0.18 4.03 1.51 0.13 -0.94 117.35 125.14 3it8 s TYR 5 Ca -0.11 -0.68 -0.00 0.00 -1.01 0.00 0.00 57.07 55.27 3it8 s TYR 5 Cb -0.14 -1.88 0.05 0.00 -0.11 0.00 0.00 41.96 39.87 3it8 s TYR 5 CO 0.04 -0.25 -0.05 1.21 -1.11 0.00 0.00 175.55 175.39 3it8 s ASN 6 N 0.49 3.02 -0.15 2.29 3.84 -0.45 -1.73 114.94 122.25 3it8 s ASN 6 Ca -0.08 -0.77 -0.03 0.00 0.21 0.00 0.00 52.86 52.19 3it8 s ASN 6 Cb -0.16 -0.94 -0.03 0.00 -0.55 0.00 0.00 41.25 39.58 3it8 s ASN 6 CO 0.04 -0.20 -0.05 -0.31 -2.79 0.00 0.00 177.10 173.78 3it8 s TYR 7 N 1.61 2.99 -0.05 0.43 1.51 -0.80 -0.91 117.35 122.12 3it8 s TYR 7 Ca -0.01 -0.36 -0.02 0.00 -1.01 0.00 0.00 57.07 55.68 3it8 s TYR 7 Cb -0.16 -1.94 0.04 0.00 -0.11 0.00 0.00 41.96 39.79 3it8 s TYR 7 CO -0.07 -0.06 0.10 0.99 -1.11 0.00 0.00 175.55 175.39 3it8 s THR 8 N 0.35 -0.10 -0.09 -0.71 2.01 0.21 -0.09 115.64 117.22 3it8 s THR 8 Ca -0.05 0.26 0.02 0.00 0.31 0.00 0.00 61.69 62.23 3it8 s THR 8 Cb -0.14 -0.19 -0.02 0.00 0.01 0.00 0.00 72.50 72.15 3it8 s THR 8 CO 0.03 0.11 -0.14 0.68 -0.69 0.00 0.00 174.62 174.61 3it8 s VAL 9 N 1.51 3.00 0.10 3.82 -7.23 -0.68 -0.61 120.40 120.31 3it8 s VAL 9 Ca -0.05 -0.72 0.08 0.00 -1.81 0.00 0.00 61.98 59.48 3it8 s VAL 9 Cb -0.12 -2.21 -0.03 0.00 0.56 0.00 0.00 36.38 34.58 3it8 s VAL 9 CO -0.05 0.56 -0.19 -0.89 -0.31 0.00 0.00 175.10 174.22 3it8 s THR 10 N -0.22 1.60 -1.28 5.32 2.01 0.51 -1.29 115.64 122.28 3it8 s THR 10 Ca 0.01 -1.52 0.30 0.00 0.31 0.00 0.00 61.69 60.79 3it8 s THR 10 Cb -0.13 -1.48 0.42 0.00 0.01 0.00 0.00 72.50 71.32 3it8 s THR 10 CO 0.03 -0.11 2.00 -0.11 -0.69 0.00 0.00 174.62 175.75 3it8 n LEU 11 N 1.08 0.01 0.00 4.42 0.00 0.64 -0.32 117.00 122.82 3it8 n LEU 11 Ca -0.19 0.35 0.00 0.00 0.00 0.00 0.00 56.01 56.17 3it8 n LEU 11 Cb 0.54 -0.36 0.00 0.00 0.00 0.00 0.00 43.42 43.60 3it8 n LEU 11 CO 0.22 0.00 0.00 0.29 0.00 0.00 0.00 177.39 177.91 3it8 n LYS 12 N -1.36 0.00 0.00 1.96 4.76 -1.26 -4.41 118.16 117.85 3it8 n LYS 12 Ca 0.12 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.56 3it8 n LYS 12 Cb 0.28 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.47 3it8 n LYS 12 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 3it8 n ASP 13 N -3.68 0.00 -4.36 4.39 5.68 -1.26 -4.83 116.55 112.48 3it8 n ASP 13 Ca 0.00 0.00 -0.35 0.00 -0.50 0.00 0.00 54.79 53.94 3it8 n ASP 13 Cb 0.00 0.00 -0.13 0.00 -1.14 0.00 0.00 41.12 39.85 3it8 n ASP 13 CO 0.00 0.00 0.00 -1.81 -1.33 0.00 0.00 177.20 174.06 3it8 s ASP 14 N -2.07 4.58 0.00 -1.12 1.11 -1.26 -4.95 116.67 112.96 3it8 s ASP 14 Ca 0.00 -0.32 0.00 0.00 0.18 0.00 0.00 52.55 52.41 3it8 s ASP 14 Cb 0.00 -1.80 0.00 0.00 1.07 0.00 0.00 42.92 42.19 3it8 s ASP 14 CO 0.00 -0.02 0.00 0.61 1.18 0.00 0.00 175.17 176.94 3it8 n GLY 15 N 4.78 0.74 3.69 0.21 0.00 -1.26 -5.11 105.19 108.24 3it8 n GLY 15 Ca -0.17 -0.70 -0.29 0.00 0.00 0.00 0.00 46.02 44.85 3it8 n GLY 15 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3it8 s LEU 16 N 0.00 1.60 -0.22 0.99 1.43 -1.26 -5.01 118.68 116.20 3it8 s LEU 16 Ca 0.00 1.12 -0.05 0.00 -1.03 0.00 0.00 54.13 54.18 3it8 s LEU 16 Cb 0.00 -3.31 -0.01 0.00 0.03 0.00 0.00 46.19 42.90 3it8 s LEU 16 CO 0.00 -3.10 -0.02 -0.31 0.23 0.00 0.00 176.35 173.16 3it8 s TYR 17 N -3.02 2.99 0.40 0.29 1.51 -1.26 -4.32 117.35 113.95 3it8 s TYR 17 Ca 0.65 -0.76 -0.10 0.00 -1.01 0.00 0.00 57.07 55.86 3it8 s TYR 17 Cb -0.18 -2.12 -0.06 0.00 -0.11 0.00 0.00 41.96 39.49 3it8 s TYR 17 CO 0.57 -0.46 0.75 -0.51 -1.11 0.00 0.00 175.55 174.80 3it8 s ASP 18 N 1.41 6.49 -0.01 2.29 1.01 0.56 -4.82 116.67 123.59 3it8 s ASP 18 Ca 0.05 1.08 0.00 0.00 0.71 0.00 0.00 52.55 54.39 3it8 s ASP 18 Cb -0.14 -2.30 0.02 0.00 1.01 0.00 0.00 42.92 41.50 3it8 s ASP 18 CO -0.01 -0.40 0.01 -0.83 0.21 0.00 0.00 175.17 174.15 3it8 s GLY 19 N -3.25 0.06 0.05 0.21 0.00 -1.26 -0.37 107.32 102.77 3it8 s GLY 19 Ca 0.50 0.15 0.00 0.00 0.00 0.00 0.00 44.72 45.37 3it8 s GLY 19 CO 0.33 0.35 -0.04 -1.34 0.00 0.00 0.00 173.10 172.39 3it8 s VAL 20 N 0.55 0.34 -0.01 1.40 -7.23 0.22 -0.87 120.40 114.80 3it8 s VAL 20 Ca -0.05 -1.58 -0.00 0.00 -1.81 0.00 0.00 61.98 58.54 3it8 s VAL 20 Cb -0.07 -1.21 0.01 0.00 0.56 0.00 0.00 36.38 35.68 3it8 s VAL 20 CO -0.01 -0.81 0.03 0.12 -0.31 0.00 0.00 175.10 174.12 3it8 s PHE 21 N -3.09 -0.01 -0.03 2.82 5.36 0.11 -0.62 117.98 122.51 3it8 s PHE 21 Ca 0.02 0.10 0.04 0.00 -0.96 0.00 0.00 56.93 56.13 3it8 s PHE 21 Cb 0.02 -0.09 -0.00 0.00 -0.34 0.00 0.00 43.02 42.60 3it8 s PHE 21 CO -0.06 -0.05 -0.15 0.71 -1.46 0.00 0.00 175.22 174.21 3it8 s TYR 22 N 0.49 1.46 -0.27 10.12 1.51 -0.09 -1.44 117.35 129.14 3it8 s TYR 22 Ca -0.04 -0.37 -0.01 0.00 -1.01 0.00 0.00 57.07 55.64 3it8 s TYR 22 Cb -0.06 -0.98 0.04 0.00 -0.11 0.00 0.00 41.96 40.85 3it8 s TYR 22 CO -0.01 -0.11 -0.05 0.34 -1.11 0.00 0.00 175.55 174.60 3it8 s ASP 23 N -0.05 4.49 -0.14 2.29 -1.08 -0.28 -1.34 116.67 120.56 3it8 s ASP 23 Ca -0.01 -1.10 0.02 0.00 -0.52 0.00 0.00 52.55 50.94 3it8 s ASP 23 Cb -0.09 -1.65 0.00 0.00 -1.46 0.00 0.00 42.92 39.72 3it8 s ASP 23 CO 0.01 -0.18 -0.20 -1.00 0.52 0.00 0.00 175.17 174.32 3it8 s HIS 24 N 1.26 2.69 -0.32 -5.34 3.76 -0.11 0.56 115.29 117.79 3it8 s HIS 24 Ca -0.03 -1.15 -0.09 0.00 -0.15 0.00 0.00 55.06 53.63 3it8 s HIS 24 Cb -0.18 -1.82 0.01 0.00 1.11 0.00 0.00 32.58 31.70 3it8 s HIS 24 CO -0.04 -0.51 0.14 -0.47 -0.85 0.00 0.00 174.74 173.02 3it8 s TYR 25 N 0.70 3.19 0.00 1.40 5.04 -0.28 -0.68 117.35 126.72 3it8 s TYR 25 Ca -0.09 -0.81 0.00 0.00 -2.44 0.00 0.00 57.07 53.73 3it8 s TYR 25 Cb -0.16 -2.34 0.00 0.00 0.35 0.00 0.00 41.96 39.81 3it8 s TYR 25 CO 0.01 -0.54 0.00 0.09 -1.34 0.00 0.00 175.55 173.77 3it8 n ASN 26 N 4.95 0.00 -1.41 4.32 3.02 0.89 -0.46 115.26 126.57 3it8 n ASN 26 Ca -0.13 0.00 0.09 0.00 -0.03 0.00 0.00 54.58 54.51 3it8 n ASN 26 Cb 0.48 0.00 0.32 0.00 -0.61 0.00 0.00 39.78 39.97 3it8 n ASN 26 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3it8 n ASP 27 N 3.23 4.16 -4.61 6.41 5.68 -1.26 -4.91 116.55 125.24 3it8 n ASP 27 Ca 0.00 -2.29 -0.40 0.00 -0.50 0.00 0.00 54.79 51.61 3it8 n ASP 27 Cb 0.00 -0.52 -0.08 0.00 -1.14 0.00 0.00 41.12 39.38 3it8 n ASP 27 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 3it8 s GLN 28 N -1.61 4.06 0.13 0.11 -1.52 0.40 -5.05 119.66 116.17 3it8 s GLN 28 Ca 0.46 0.26 -0.31 0.00 -1.95 0.00 0.00 55.36 53.82 3it8 s GLN 28 Cb 0.28 -3.65 -0.08 0.00 -0.22 0.00 0.00 33.01 29.33 3it8 s GLN 28 CO 0.25 -0.34 1.44 -1.17 -0.25 0.00 0.00 175.29 175.22 3it8 s LEU 29 N 2.26 4.37 -0.13 2.90 2.96 -1.26 -1.12 118.68 128.65 3it8 s LEU 29 Ca 0.20 2.40 0.01 0.00 -0.22 0.00 0.00 54.13 56.53 3it8 s LEU 29 Cb -0.16 -3.59 -0.09 0.00 0.50 0.00 0.00 46.19 42.85 3it8 s LEU 29 CO 0.09 -0.70 -0.11 0.52 -1.32 0.00 0.00 176.35 174.83 3it8 n VAL 30 N 3.95 0.78 -3.75 1.68 0.31 0.19 -4.46 118.33 117.04 3it8 n VAL 30 Ca 0.12 -0.30 -0.13 0.00 -0.01 0.00 0.00 64.34 64.02 3it8 n VAL 30 Cb 0.41 -0.97 -0.11 0.00 -0.91 0.00 0.00 33.84 32.27 3it8 n VAL 30 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3it8 s THR 31 N -2.27 -0.00 -0.04 2.52 2.01 -1.13 -0.94 115.64 115.78 3it8 s THR 31 Ca -0.18 0.01 0.03 0.00 0.31 0.00 0.00 61.69 61.86 3it8 s THR 31 Cb 0.05 -0.51 0.00 0.00 0.01 0.00 0.00 72.50 72.05 3it8 s THR 31 CO 0.32 0.00 -0.14 -0.75 -0.69 0.00 0.00 174.62 173.37 3it8 s LYS 32 N 0.26 1.51 -0.01 4.92 2.20 -0.74 -1.12 119.74 126.76 3it8 s LYS 32 Ca -0.01 -0.47 0.01 0.00 -0.36 0.00 0.00 55.97 55.15 3it8 s LYS 32 Cb -0.03 -1.32 0.00 0.00 -1.51 0.00 0.00 37.83 34.97 3it8 s LYS 32 CO -0.00 0.15 -0.04 0.42 -0.36 0.00 0.00 175.35 175.52 3it8 s ILE 33 N 0.23 0.38 0.05 5.43 1.01 -0.52 -0.42 121.20 127.36 3it8 s ILE 33 Ca -0.06 -0.18 0.02 0.00 0.00 0.00 0.00 60.65 60.44 3it8 s ILE 33 Cb -0.12 -0.34 -0.03 0.00 0.01 0.00 0.00 42.46 41.99 3it8 s ILE 33 CO 0.02 0.12 -0.08 -0.94 0.00 0.00 0.00 174.94 174.06 3it8 s SER 34 N 0.04 0.99 -0.20 3.58 1.04 -0.86 0.04 113.70 118.32 3it8 s SER 34 Ca 0.00 -0.62 -0.29 0.00 0.48 0.00 0.00 55.95 55.52 3it8 s SER 34 Cb -0.04 0.03 -0.01 0.00 0.10 0.00 0.00 66.02 66.11 3it8 s SER 34 CO -0.00 -0.23 1.22 -0.47 0.98 0.00 0.00 173.24 174.74 3it8 s TYR 35 N -1.68 2.93 -0.40 5.02 5.04 -0.05 -1.24 117.35 126.96 3it8 s TYR 35 Ca -0.06 1.09 -0.25 0.00 -2.44 0.00 0.00 57.07 55.41 3it8 s TYR 35 Cb -0.08 -3.51 0.02 0.00 0.35 0.00 0.00 41.96 38.74 3it8 s TYR 35 CO -0.00 -1.43 0.87 1.21 -1.34 0.00 0.00 175.55 174.85 3it8 s ASN 36 N 1.91 6.56 0.40 4.32 3.84 -0.23 -4.73 114.94 127.02 3it8 s ASN 36 Ca 0.52 0.31 0.17 0.00 0.21 0.00 0.00 52.86 54.08 3it8 s ASN 36 Cb -0.19 -2.43 0.85 0.00 -0.55 0.00 0.00 41.25 38.93 3it8 s ASN 36 CO 0.14 -0.88 1.85 0.45 -2.79 0.00 0.00 177.10 175.87 3it8 h HIS 37 N 8.70 0.00 0.21 0.43 3.86 -1.94 0.69 115.15 127.10 3it8 h HIS 37 Ca -0.24 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 58.96 3it8 h HIS 37 Cb 1.08 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.55 3it8 h HIS 37 CO 0.83 0.32 -0.10 1.49 0.86 0.00 0.00 177.93 181.33 3it8 h GLU 38 N 0.00 -0.28 0.00 2.45 4.81 -1.95 -3.33 114.58 116.28 3it8 h GLU 38 Ca -0.00 0.02 -0.16 0.00 -0.13 0.00 0.00 59.36 59.09 3it8 h GLU 38 Cb 0.66 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.08 3it8 h GLU 38 CO 0.04 0.11 -0.76 1.15 -0.73 0.00 0.00 179.01 178.83 3it8 h THR 39 N -0.86 1.50 -0.38 0.32 2.02 -1.97 -3.48 112.91 110.06 3it8 h THR 39 Ca -0.03 -2.63 -0.05 0.00 0.77 0.00 0.00 66.41 64.47 3it8 h THR 39 Cb 0.51 2.43 -0.00 0.00 -1.74 0.00 0.00 68.15 69.35 3it8 h THR 39 CO 0.05 0.74 -0.07 0.54 0.37 0.00 0.00 175.52 177.15 3it8 n ARG 40 N -3.58 -0.22 -3.93 6.66 5.12 0.24 -5.04 116.66 115.92 3it8 n ARG 40 Ca -0.00 0.13 -0.08 0.00 -1.93 0.00 0.00 57.85 55.97 3it8 n ARG 40 Cb 0.75 -3.78 -0.04 0.00 -1.16 0.00 0.00 32.46 28.23 3it8 n ARG 40 CO 0.00 0.00 0.00 -3.38 -1.93 0.00 0.00 177.63 172.32 3it8 s HIS 41 N -2.13 0.09 0.63 -1.55 -3.43 -1.18 -4.96 115.29 102.75 3it8 s HIS 41 Ca 0.00 -0.50 -0.11 0.00 -0.80 0.00 0.00 55.06 53.65 3it8 s HIS 41 Cb 0.00 0.44 -0.03 0.00 -1.43 0.00 0.00 32.58 31.56 3it8 s HIS 41 CO 0.00 -1.11 1.03 0.20 -2.00 0.00 0.00 174.74 172.86 3it8 s GLY 42 N -2.97 1.65 -0.00 -1.38 0.00 -1.26 -1.06 107.32 102.29 3it8 s GLY 42 Ca 0.17 -0.14 0.01 0.00 0.00 0.00 0.00 44.72 44.76 3it8 s GLY 42 CO 0.08 0.14 -0.05 -1.31 0.00 0.00 0.00 173.10 171.96 3it8 s ASN 43 N -4.20 0.54 -0.29 1.64 0.01 -0.38 -4.85 114.94 107.42 3it8 s ASN 43 Ca 0.55 -0.08 -0.29 0.00 -0.71 0.00 0.00 52.86 52.33 3it8 s ASN 43 Cb -0.11 -0.06 0.01 0.00 0.41 0.00 0.00 41.25 41.50 3it8 s ASN 43 CO 0.53 0.06 1.05 -0.69 -1.51 0.00 0.00 177.10 176.54 3it8 s VAL 44 N -0.11 4.58 -0.09 1.60 1.01 -1.26 -2.03 120.40 124.09 3it8 s VAL 44 Ca 0.02 1.80 0.10 0.00 0.00 0.00 0.00 61.98 63.90 3it8 s VAL 44 Cb -0.02 -4.37 -0.24 0.00 0.00 0.00 0.00 36.38 31.76 3it8 s VAL 44 CO -0.00 -0.37 0.47 0.59 0.00 0.00 0.00 175.10 175.79 3it8 n ASN 45 N 6.66 0.95 -3.94 3.32 3.02 0.44 -4.96 115.26 120.76 3it8 n ASN 45 Ca 0.12 0.29 -0.11 0.00 -0.03 0.00 0.00 54.58 54.85 3it8 n ASN 45 Cb 0.47 -0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.51 3it8 n ASN 45 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3it8 s PHE 46 N -2.57 0.18 -0.19 3.10 5.36 -1.13 -4.96 117.98 117.77 3it8 s PHE 46 Ca -0.10 -0.30 -0.05 0.00 -0.96 0.00 0.00 56.93 55.52 3it8 s PHE 46 Cb 0.07 -0.13 0.09 0.00 -0.34 0.00 0.00 43.02 42.72 3it8 s PHE 46 CO 0.81 -0.10 0.36 0.50 -1.46 0.00 0.00 175.22 175.32 3it8 s ARG 47 N -0.84 0.27 0.29 10.12 6.06 -1.26 -1.79 118.95 131.81 3it8 s ARG 47 Ca -0.09 0.81 -0.30 0.00 -2.50 0.00 0.00 55.73 53.66 3it8 s ARG 47 Cb -0.06 -0.01 -0.13 0.00 0.06 0.00 0.00 34.95 34.82 3it8 s ARG 47 CO -0.01 -0.36 1.40 0.00 -2.50 0.00 0.00 175.30 173.84 3it8 n ALA 48 N 5.37 1.52 0.26 6.12 0.00 -0.12 -4.87 120.51 128.79 3it8 n ALA 48 Ca -0.07 0.38 0.09 0.00 0.00 0.00 0.00 53.44 53.84 3it8 n ALA 48 Cb 0.50 -2.31 0.66 0.00 0.00 0.00 0.00 19.45 18.29 3it8 n ALA 48 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 3it8 h ASP 49 N 3.65 0.00 0.64 0.00 2.03 -1.94 -2.76 116.42 118.04 3it8 h ASP 49 Ca -0.46 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.84 3it8 h ASP 49 Cb 1.27 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.77 3it8 h ASP 49 CO 0.71 0.06 -0.19 -2.67 -1.03 0.00 0.00 179.24 176.12 3it8 n TRP 50 N -4.30 0.00 -3.41 4.15 4.27 -1.26 -4.77 117.44 112.11 3it8 n TRP 50 Ca -0.03 0.00 -0.44 0.00 -3.89 0.00 0.00 57.50 53.14 3it8 n TRP 50 Cb 0.14 -0.32 -0.08 0.00 -1.36 0.00 0.00 31.31 29.69 3it8 n TRP 50 CO 0.00 0.00 0.00 0.12 -2.29 0.00 0.00 177.69 175.52 3it8 s PHE 51 N -2.83 3.25 -0.61 -2.67 5.36 -1.04 -4.73 117.98 114.70 3it8 s PHE 51 Ca 0.18 -0.87 -0.19 0.00 -0.96 0.00 0.00 56.93 55.09 3it8 s PHE 51 Cb 0.19 -3.02 0.10 0.00 -0.34 0.00 0.00 43.02 39.95 3it8 s PHE 51 CO 0.57 -0.75 0.75 1.21 -1.46 0.00 0.00 175.22 175.53 3it8 s ASN 52 N 2.36 6.20 0.55 6.13 3.84 -1.26 -4.85 114.94 127.90 3it8 s ASN 52 Ca 0.04 -1.41 0.27 0.00 0.21 0.00 0.00 52.86 51.98 3it8 s ASN 52 Cb -0.23 -2.32 1.49 0.00 -0.55 0.00 0.00 41.25 39.64 3it8 s ASN 52 CO 0.07 -1.15 1.81 -0.29 -2.79 0.00 0.00 177.10 174.75 3it8 h ILE 53 N 5.92 0.00 0.00 -5.21 2.10 -1.95 0.13 117.51 118.50 3it8 h ILE 53 Ca -0.28 0.00 -0.03 0.00 1.08 0.00 0.00 64.86 65.63 3it8 h ILE 53 Cb 1.08 0.61 -0.00 0.00 -1.09 0.00 0.00 36.82 37.41 3it8 h ILE 53 CO 1.11 0.00 -0.15 0.28 -1.08 0.00 0.00 178.15 178.31 3it8 h SER 54 N 0.00 0.00 -0.43 2.19 0.02 -2.01 -2.80 113.55 110.52 3it8 h SER 54 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3it8 h SER 54 Cb 0.47 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.01 3it8 h SER 54 CO 0.00 0.15 0.00 0.54 -1.14 0.00 0.00 176.83 176.38 3it8 n ARG 55 N -3.21 2.01 -3.39 3.45 1.74 0.44 -4.43 116.66 113.26 3it8 n ARG 55 Ca 0.02 -1.57 -0.26 0.00 -0.77 0.00 0.00 57.85 55.26 3it8 n ARG 55 Cb 0.47 -1.34 -0.08 0.00 -1.02 0.00 0.00 32.46 30.48 3it8 n ARG 55 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3it8 n SER 56 N 0.78 2.23 -0.23 0.55 2.88 -1.06 -4.91 113.62 113.87 3it8 n SER 56 Ca 0.15 -3.11 0.32 0.00 -1.33 0.00 0.00 58.87 54.90 3it8 n SER 56 Cb 0.37 -0.66 0.70 0.00 -0.75 0.00 0.00 64.21 63.87 3it8 n SER 56 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3it8 h PRO 57 N 4.33 0.00 -0.49 -1.46 0.11 -1.78 -0.79 132.00 131.91 3it8 h PRO 57 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 3it8 h PRO 57 Cb 0.76 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.87 3it8 h PRO 57 CO 0.67 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 179.18 3it8 n HIS 58 N -3.87 0.65 -3.08 0.65 8.25 -1.26 -4.82 115.22 111.74 3it8 n HIS 58 Ca 0.22 -0.32 -0.40 0.00 -0.26 0.00 0.00 57.72 56.96 3it8 n HIS 58 Cb 1.20 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 32.26 3it8 n HIS 58 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3it8 s THR 59 N -1.35 5.02 0.24 1.59 2.01 -0.30 -4.70 115.64 118.15 3it8 s THR 59 Ca 0.40 1.30 -0.29 0.00 0.31 0.00 0.00 61.69 63.41 3it8 s THR 59 Cb 0.22 -3.99 -0.16 0.00 0.01 0.00 0.00 72.50 68.59 3it8 s THR 59 CO 0.29 0.15 0.81 -2.65 -0.69 0.00 0.00 174.62 172.54 3it8 n PRO 60 N 4.66 0.74 -1.86 4.92 -0.02 -1.26 -4.97 135.00 137.20 3it8 n PRO 60 Ca -0.01 0.26 -0.23 0.00 -2.02 0.00 0.00 63.50 61.50 3it8 n PRO 60 Cb 0.50 -1.49 0.15 0.00 -0.02 0.00 0.00 33.50 32.65 3it8 n PRO 60 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3it8 n GLY 61 N 1.61 -0.71 3.50 -1.23 0.00 -1.26 -2.99 105.19 104.11 3it8 n GLY 61 Ca 0.14 -1.82 -0.19 0.00 0.00 0.00 0.00 46.02 44.15 3it8 n GLY 61 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3it8 n ASN 62 N -3.45 -3.03 -3.78 1.61 4.13 -1.26 -1.10 115.26 108.37 3it8 n ASN 62 Ca 0.14 -0.62 -0.33 0.00 1.68 0.00 0.00 54.58 55.45 3it8 n ASN 62 Cb 0.50 -5.00 0.03 0.00 -1.54 0.00 0.00 39.78 33.76 3it8 n ASN 62 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 3it8 n ASP 63 N -3.09 -5.06 -2.87 6.41 8.00 -1.26 -1.05 116.55 117.63 3it8 n ASP 63 Ca -0.22 -1.03 -0.20 0.00 0.71 0.00 0.00 54.79 54.06 3it8 n ASP 63 Cb 0.64 -2.64 0.01 0.00 -0.02 0.00 0.00 41.12 39.11 3it8 n ASP 63 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3it8 n TYR 64 N -3.99 -1.63 -3.41 1.24 4.02 -1.03 -1.26 117.16 111.11 3it8 n TYR 64 Ca -0.14 0.30 -0.25 0.00 -0.01 0.00 0.00 57.90 57.80 3it8 n TYR 64 Cb 0.59 -3.59 0.01 0.00 -0.02 0.00 0.00 39.34 36.34 3it8 n TYR 64 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3it8 n ASN 65 N -2.21 -4.46 0.11 7.72 5.03 -0.22 -4.87 115.26 116.36 3it8 n ASN 65 Ca -0.12 -0.45 -0.13 0.00 0.87 0.00 0.00 54.58 54.75 3it8 n ASN 65 Cb 0.61 -3.64 -0.07 0.00 -1.02 0.00 0.00 39.78 35.66 3it8 n ASN 65 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.26 175.58 3it8 h PHE 66 N -1.29 -0.29 -0.76 3.10 3.57 -1.07 -1.63 116.94 118.57 3it8 h PHE 66 Ca -0.48 0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.11 3it8 h PHE 66 Cb 1.32 0.11 -0.07 0.00 2.79 0.00 0.00 35.95 40.11 3it8 h PHE 66 CO 0.62 -0.18 0.42 -0.91 -2.23 0.00 0.00 178.31 176.03 3it8 h ASN 67 N -0.26 0.58 0.39 0.41 2.35 -1.84 0.29 115.58 117.49 3it8 h ASN 67 Ca 0.00 0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.79 3it8 h ASN 67 Cb 0.24 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 3it8 h ASN 67 CO -0.02 0.34 -0.30 0.15 -1.65 0.00 0.00 177.43 175.95 3it8 h PHE 68 N 0.71 -0.80 -0.23 1.19 3.57 -1.86 -2.28 116.94 117.24 3it8 h PHE 68 Ca 0.37 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.85 3it8 h PHE 68 Cb 0.34 0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.37 3it8 h PHE 68 CO -0.08 -0.44 0.06 -1.49 -2.23 0.00 0.00 178.31 174.13 3it8 h TRP 69 N -0.68 0.38 -0.29 0.41 4.06 -0.82 -1.62 115.95 117.40 3it8 h TRP 69 Ca -0.03 -0.04 0.07 0.00 2.06 0.00 0.00 58.89 60.94 3it8 h TRP 69 Cb 0.59 -0.11 -0.08 0.00 -1.00 0.00 0.00 29.16 28.57 3it8 h TRP 69 CO -0.14 0.46 -0.26 -0.92 -3.56 0.00 0.00 178.44 174.01 3it8 h TYR 70 N 0.19 -0.70 0.02 0.49 3.20 -0.43 0.41 116.97 120.16 3it8 h TYR 70 Ca 0.07 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.99 3it8 h TYR 70 Cb 0.26 0.35 -0.00 0.00 1.54 0.00 0.00 36.73 38.89 3it8 h TYR 70 CO 0.01 -0.34 -0.01 1.03 -1.64 0.00 0.00 178.16 177.21 3it8 h SER 71 N -0.25 -0.04 0.30 -2.11 0.87 -1.36 0.16 113.55 111.12 3it8 h SER 71 Ca 0.15 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.63 3it8 h SER 71 Cb 0.48 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.44 3it8 h SER 71 CO -0.43 -0.02 -0.35 0.25 -0.53 0.00 0.00 176.83 175.74 3it8 h LEU 72 N -0.04 0.08 -0.12 2.23 5.85 -0.88 -1.32 115.31 121.12 3it8 h LEU 72 Ca -0.00 -0.03 -0.23 0.00 0.84 0.00 0.00 57.88 58.45 3it8 h LEU 72 Cb 0.03 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.04 3it8 h LEU 72 CO 0.00 0.44 -1.00 0.24 -0.34 0.00 0.00 178.44 177.78 3it8 h MET 73 N 0.07 0.39 -0.39 1.25 2.86 0.02 -1.57 114.93 117.56 3it8 h MET 73 Ca 0.01 -0.45 -0.00 0.00 -2.06 0.00 0.00 59.70 57.20 3it8 h MET 73 Cb 0.66 0.14 -0.02 0.00 0.06 0.00 0.00 31.60 32.44 3it8 h MET 73 CO 0.05 1.13 0.24 -0.22 1.06 0.00 0.00 176.91 179.17 3it8 h LYS 74 N 0.20 0.53 -0.30 1.72 3.64 -0.32 0.18 116.57 122.22 3it8 h LYS 74 Ca -0.09 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.26 3it8 h LYS 74 Cb 1.65 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 33.33 3it8 h LYS 74 CO 0.17 0.38 0.15 1.49 -2.27 0.00 0.00 179.45 179.38 3it8 h GLU 75 N 0.52 0.31 -0.81 1.90 4.81 -1.18 -1.71 114.58 118.43 3it8 h GLU 75 Ca 0.14 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.33 3it8 h GLU 75 Cb -0.02 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.26 3it8 h GLU 75 CO -0.03 0.21 0.42 1.15 -0.73 0.00 0.00 179.01 180.03 3it8 h THR 76 N 0.32 1.24 -0.58 0.32 2.02 -0.75 -2.22 112.91 113.27 3it8 h THR 76 Ca 0.12 -0.63 -0.10 0.00 0.77 0.00 0.00 66.41 66.57 3it8 h THR 76 Cb 0.03 0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 66.60 3it8 h THR 76 CO -0.08 0.28 -0.03 0.25 0.37 0.00 0.00 175.52 176.31 3it8 h LEU 77 N 1.13 1.03 -0.24 2.58 5.85 -0.25 -1.28 115.31 124.13 3it8 h LEU 77 Ca 0.28 -0.32 -0.00 0.00 0.84 0.00 0.00 57.88 58.68 3it8 h LEU 77 Cb 0.06 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.80 3it8 h LEU 77 CO -0.04 1.10 0.14 -0.33 -0.34 0.00 0.00 178.44 178.97 3it8 h GLU 78 N 0.93 0.32 -0.54 1.25 5.08 -0.95 -1.58 114.58 119.09 3it8 h GLU 78 Ca 0.16 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 3it8 h GLU 78 Cb 0.58 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.74 3it8 h GLU 78 CO 0.03 0.26 0.31 0.93 -1.00 0.00 0.00 179.01 179.55 3it8 h GLU 79 N 0.29 0.75 -0.48 2.33 4.39 -1.32 -2.38 114.58 118.16 3it8 h GLU 79 Ca 0.08 -0.08 0.03 0.00 0.34 0.00 0.00 59.36 59.74 3it8 h GLU 79 Cb 0.02 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 28.50 3it8 h GLU 79 CO -0.02 0.56 0.32 0.82 -1.16 0.00 0.00 179.01 179.54 3it8 h ILE 80 N 0.73 1.05 0.00 3.13 2.04 -0.93 -2.12 117.51 121.41 3it8 h ILE 80 Ca 0.19 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.87 3it8 h ILE 80 Cb 0.02 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 36.56 3it8 h ILE 80 CO -0.03 0.10 0.00 0.59 0.00 0.00 0.00 178.15 178.81 3it8 n ASN 81 N -4.47 0.00 -0.08 1.72 3.02 -0.62 -3.75 115.26 111.07 3it8 n ASN 81 Ca 0.05 0.42 -0.12 0.00 -0.03 0.00 0.00 54.58 54.90 3it8 n ASN 81 Cb 0.15 -0.47 -0.05 0.00 -0.61 0.00 0.00 39.78 38.79 3it8 n ASN 81 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 3it8 h LYS 82 N 0.00 0.49 -6.39 3.52 1.57 -1.24 -3.36 116.57 111.15 3it8 h LYS 82 Ca 0.00 -0.21 -0.54 0.00 -1.87 0.00 0.00 60.65 58.03 3it8 h LYS 82 Cb 0.45 -0.02 -0.07 0.00 0.08 0.00 0.00 32.23 32.67 3it8 h LYS 82 CO 0.00 0.75 1.07 1.21 -0.57 0.00 0.00 179.45 181.91 3it8 s ASN 83 N -6.16 6.16 0.00 0.86 3.84 -1.25 -4.84 114.94 113.55 3it8 s ASN 83 Ca -0.13 -0.13 0.00 0.00 0.21 0.00 0.00 52.86 52.80 3it8 s ASN 83 Cb 0.07 -2.55 0.00 0.00 -0.55 0.00 0.00 41.25 38.22 3it8 s ASN 83 CO 0.77 -1.77 0.67 -0.67 -2.79 0.00 0.00 177.10 173.31 3it8 n ASP 84 N 9.43 0.00 -0.70 -4.21 -0.08 -1.26 -0.66 116.55 119.07 3it8 n ASP 84 Ca 0.07 0.22 0.11 0.00 -1.51 0.00 0.00 54.79 53.69 3it8 n ASP 84 Cb 0.49 -0.22 0.34 0.00 2.34 0.00 0.00 41.12 44.06 3it8 n ASP 84 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 3it8 n SER 85 N -1.17 2.11 0.00 1.67 3.41 -1.26 -4.04 113.62 114.34 3it8 n SER 85 Ca 0.00 -1.77 0.00 0.00 -0.26 0.00 0.00 58.87 56.84 3it8 n SER 85 Cb 0.09 -0.12 0.00 0.00 -0.26 0.00 0.00 64.21 63.92 3it8 n SER 85 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3it8 n THR 86 N 0.62 0.00 -0.16 6.66 -1.04 0.17 -5.08 114.28 115.45 3it8 n THR 86 Ca 0.17 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 62.12 3it8 n THR 86 Cb 0.41 -0.33 -0.01 0.00 -1.82 0.00 0.00 70.33 68.58 3it8 n THR 86 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 3it8 n LYS 87 N -1.54 0.00 -4.13 -2.82 4.81 -1.18 -4.86 118.16 108.44 3it8 n LYS 87 Ca 0.00 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.32 3it8 n LYS 87 Cb 0.25 -0.15 -0.11 0.00 0.02 0.00 0.00 35.03 35.04 3it8 n LYS 87 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 3it8 s THR 88 N 0.19 0.68 0.05 3.15 2.01 -1.26 -5.02 115.64 115.44 3it8 s THR 88 Ca 0.10 -1.53 -0.19 0.00 0.31 0.00 0.00 61.69 60.37 3it8 s THR 88 Cb -0.14 -1.19 -0.13 0.00 0.01 0.00 0.00 72.50 71.05 3it8 s THR 88 CO 0.07 -0.61 1.36 0.74 -0.69 0.00 0.00 174.62 175.49 3it8 h THR 89 N 3.70 1.34 -4.10 -0.82 2.02 -1.96 -3.46 112.91 109.62 3it8 h THR 89 Ca -0.36 -1.35 -0.17 0.00 0.77 0.00 0.00 66.41 65.30 3it8 h THR 89 Cb 1.18 1.81 -0.11 0.00 -1.74 0.00 0.00 68.15 69.29 3it8 h THR 89 CO 0.53 0.41 -0.33 -0.94 0.37 0.00 0.00 175.52 175.56 3it8 s SER 90 N -6.24 0.19 -0.01 4.18 1.04 -1.26 -0.26 113.70 111.34 3it8 s SER 90 Ca -0.14 -1.20 0.02 0.00 0.48 0.00 0.00 55.95 55.11 3it8 s SER 90 Cb 0.06 0.52 -0.00 0.00 0.10 0.00 0.00 66.02 66.70 3it8 s SER 90 CO 0.77 -1.05 -0.05 -0.22 0.98 0.00 0.00 173.24 173.67 3it8 s LEU 91 N -3.11 1.98 0.00 2.42 2.96 -0.41 -3.02 118.68 119.49 3it8 s LEU 91 Ca 0.30 -0.10 0.03 0.00 -0.22 0.00 0.00 54.13 54.15 3it8 s LEU 91 Cb 0.02 -0.29 -0.01 0.00 0.50 0.00 0.00 46.19 46.41 3it8 s LEU 91 CO 0.12 0.06 -0.11 -0.44 -1.32 0.00 0.00 176.35 174.67 3it8 s SER 92 N -0.09 1.28 -0.37 3.68 0.01 -0.28 -1.69 113.70 116.25 3it8 s SER 92 Ca 0.02 -0.25 -0.06 0.00 1.31 0.00 0.00 55.95 56.97 3it8 s SER 92 Cb -0.03 -0.12 0.07 0.00 0.21 0.00 0.00 66.02 66.14 3it8 s SER 92 CO -0.00 0.10 0.15 -0.22 0.41 0.00 0.00 173.24 173.68 3it8 s LEU 93 N -0.45 4.67 -0.29 2.44 2.96 0.87 -1.41 118.68 127.48 3it8 s LEU 93 Ca 0.03 -1.43 -0.10 0.00 -0.22 0.00 0.00 54.13 52.41 3it8 s LEU 93 Cb -0.05 -1.87 -0.03 0.00 0.50 0.00 0.00 46.19 44.74 3it8 s LEU 93 CO -0.00 -0.42 0.16 -0.63 -1.32 0.00 0.00 176.35 174.14 3it8 s ILE 94 N 1.34 4.87 -0.01 6.68 -1.09 0.48 -1.91 121.20 131.55 3it8 s ILE 94 Ca 0.01 -0.13 -0.08 0.00 -2.23 0.00 0.00 60.65 58.22 3it8 s ILE 94 Cb -0.21 -3.38 0.01 0.00 -1.58 0.00 0.00 42.46 37.29 3it8 s ILE 94 CO 0.01 0.18 0.16 0.28 -1.23 0.00 0.00 174.94 174.34 3it8 s THR 95 N 1.68 0.07 -3.46 2.92 -1.32 -0.71 -0.03 115.64 114.79 3it8 s THR 95 Ca 0.06 -0.54 0.00 0.00 -1.21 0.00 0.00 61.69 60.00 3it8 s THR 95 Cb -0.16 -0.41 0.00 0.00 -1.51 0.00 0.00 72.50 70.42 3it8 s THR 95 CO 0.08 -0.30 0.00 0.61 -2.21 0.00 0.00 174.62 172.80 3it8 n GLY 96 N 1.74 -1.38 3.45 6.08 0.00 -0.67 0.19 105.19 114.61 3it8 n GLY 96 Ca -0.21 -1.10 -0.15 0.00 0.00 0.00 0.00 46.02 44.56 3it8 n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3it8 s TYR 98 N -3.15 -0.47 -0.47 0.00 -0.85 -0.39 -1.94 117.35 110.09 3it8 s TYR 98 Ca 0.32 0.58 0.04 0.00 -0.52 0.00 0.00 57.07 57.50 3it8 s TYR 98 Cb 0.00 0.36 0.17 0.00 0.38 0.00 0.00 41.96 42.87 3it8 s TYR 98 CO 0.21 -0.64 0.37 -1.21 -1.52 0.00 0.00 175.55 172.77 3it8 s GLU 99 N -2.22 1.23 -0.72 -3.49 2.02 -0.68 -2.22 118.70 112.62 3it8 s GLU 99 Ca -0.06 -2.36 -0.17 0.00 0.02 0.00 0.00 54.97 52.39 3it8 s GLU 99 Cb -0.01 -1.85 0.14 0.00 0.10 0.00 0.00 34.13 32.51 3it8 s GLU 99 CO 0.00 -1.36 0.79 0.99 0.02 0.00 0.00 175.26 175.70 3it8 s THR 100 N -0.24 5.03 0.00 3.63 2.01 -0.54 -0.88 115.64 124.65 3it8 s THR 100 Ca 0.31 -1.52 0.00 0.00 0.31 0.00 0.00 61.69 60.79 3it8 s THR 100 Cb 0.01 -4.53 0.00 0.00 0.01 0.00 0.00 72.50 67.99 3it8 s THR 100 CO -0.19 -1.16 0.00 0.61 -0.69 0.00 0.00 174.62 173.19 3it8 n GLY 101 N 4.99 3.13 0.10 4.40 0.00 -1.24 -1.79 105.19 114.78 3it8 n GLY 101 Ca 0.03 -0.18 -0.04 0.00 0.00 0.00 0.00 46.02 45.83 3it8 n GLY 101 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3it8 h LEU 102 N 0.00 0.00-10.09 0.99 3.38 -1.75 -3.46 115.31 104.38 3it8 h LEU 102 Ca 0.00 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.47 3it8 h LEU 102 Cb 0.00 0.00 0.07 0.00 0.09 0.00 0.00 40.66 40.82 3it8 h LEU 102 CO 0.00 0.79 0.43 -0.76 0.09 0.00 0.00 178.44 178.99 3it8 s LEU 103 N -6.99 3.75 -0.20 1.67 1.43 -0.74 -5.06 118.68 112.55 3it8 s LEU 103 Ca 0.01 2.15 -0.27 0.00 -1.03 0.00 0.00 54.13 54.98 3it8 s LEU 103 Cb 0.11 -4.58 0.09 0.00 0.03 0.00 0.00 46.19 41.84 3it8 s LEU 103 CO 0.79 -1.18 0.82 0.72 0.23 0.00 0.00 176.35 177.73 3it8 s PHE 104 N -1.80 -0.63 0.02 0.29 -0.12 -1.26 -1.47 117.98 113.01 3it8 s PHE 104 Ca 0.72 1.37 -0.23 0.00 -0.05 0.00 0.00 56.93 58.74 3it8 s PHE 104 Cb -0.23 0.35 0.08 0.00 -0.63 0.00 0.00 43.02 42.59 3it8 s PHE 104 CO 0.26 -0.40 1.04 0.41 -0.05 0.00 0.00 175.22 176.48 3it8 n GLY 105 N 1.85 0.36 3.11 1.99 0.00 -0.94 -5.00 105.19 106.56 3it8 n GLY 105 Ca -0.14 -1.03 -0.08 0.00 0.00 0.00 0.00 46.02 44.76 3it8 n GLY 105 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3it8 s SER 106 N -3.32 0.42 0.15 1.61 1.04 -1.26 -1.26 113.70 111.07 3it8 s SER 106 Ca 0.24 -1.05 -0.10 0.00 0.48 0.00 0.00 55.95 55.52 3it8 s SER 106 Cb -0.01 0.24 -0.00 0.00 0.10 0.00 0.00 66.02 66.35 3it8 s SER 106 CO 0.00 -0.65 0.30 -0.72 0.98 0.00 0.00 173.24 173.15 3it8 s TYR 107 N -3.96 0.25 -0.30 5.02 -0.85 0.49 -4.97 117.35 113.03 3it8 s TYR 107 Ca 0.12 -0.62 -0.05 0.00 -0.52 0.00 0.00 57.07 56.01 3it8 s TYR 107 Cb 0.08 0.01 0.19 0.00 0.38 0.00 0.00 41.96 42.62 3it8 s TYR 107 CO -0.06 -0.70 0.81 0.20 -1.52 0.00 0.00 175.55 174.27 3it8 s GLY 108 N -2.92 -0.87 0.12 5.49 0.00 -1.25 -1.67 107.32 106.23 3it8 s GLY 108 Ca 0.13 1.96 -0.03 0.00 0.00 0.00 0.00 44.72 46.77 3it8 s GLY 108 CO -0.04 3.71 0.10 -2.52 0.00 0.00 0.00 173.10 174.36 3it8 s TYR 109 N 2.90 0.68 -0.18 1.90 -0.85 0.96 -0.39 117.35 122.37 3it8 s TYR 109 Ca 0.14 -1.08 -0.01 0.00 -0.52 0.00 0.00 57.07 55.60 3it8 s TYR 109 Cb -0.10 -0.36 -0.00 0.00 0.38 0.00 0.00 41.96 41.88 3it8 s TYR 109 CO -0.20 -0.54 -0.13 0.08 -1.52 0.00 0.00 175.55 173.24 3it8 s VAL 110 N -4.00 2.78 0.27 -3.49 1.01 0.15 -0.39 120.40 116.73 3it8 s VAL 110 Ca 0.19 -0.71 0.11 0.00 0.00 0.00 0.00 61.98 61.57 3it8 s VAL 110 Cb 0.06 -2.20 -0.05 0.00 0.00 0.00 0.00 36.38 34.19 3it8 s VAL 110 CO -0.01 0.49 -0.15 -1.83 0.00 0.00 0.00 175.10 173.61 3it8 s GLU 111 N 1.07 1.84 0.37 2.72 -1.05 -0.50 -1.20 118.70 121.94 3it8 s GLU 111 Ca -0.00 -1.66 0.08 0.00 -0.15 0.00 0.00 54.97 53.24 3it8 s GLU 111 Cb -0.15 -1.88 -0.06 0.00 -0.44 0.00 0.00 34.13 31.61 3it8 s GLU 111 CO -0.03 0.34 0.02 0.99 0.95 0.00 0.00 175.26 177.53 3it8 s THR 112 N -2.42 2.39 0.63 1.83 2.01 -0.40 -1.12 115.64 118.56 3it8 s THR 112 Ca 0.30 -1.97 0.41 0.00 0.31 0.00 0.00 61.69 60.74 3it8 s THR 112 Cb -0.06 -2.84 0.43 0.00 0.01 0.00 0.00 72.50 70.04 3it8 s THR 112 CO 0.16 -0.13 2.34 0.00 -0.69 0.00 0.00 174.62 176.30 3it8 h ALA 113 N 1.77 1.10 -0.00 7.40 0.00 -1.94 0.14 119.26 127.74 3it8 h ALA 113 Ca -0.43 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3it8 h ALA 113 Cb 1.25 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3it8 h ALA 113 CO 0.71 0.00 -0.36 0.09 0.00 0.00 0.00 179.25 179.69 3it8 n ASN 114 N -3.23 0.43 0.00 0.00 3.02 -1.26 -5.04 115.26 109.17 3it8 n ASN 114 Ca -0.03 -0.15 0.00 0.00 -0.03 0.00 0.00 54.58 54.37 3it8 n ASN 114 Cb 0.08 0.07 0.00 0.00 -0.61 0.00 0.00 39.78 39.33 3it8 n ASN 114 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3it8 n GLY 115 N 1.48 2.07 3.55 7.41 0.00 0.49 -5.09 105.19 115.10 3it8 n GLY 115 Ca 0.07 -2.02 -0.47 0.00 0.00 0.00 0.00 46.02 43.60 3it8 n GLY 115 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3it8 n PRO 116 N -1.51 1.02 0.00 1.61 -0.04 -1.26 -1.27 135.00 133.54 3it8 n PRO 116 Ca 0.00 0.36 0.00 0.00 -0.04 0.00 0.00 63.50 63.82 3it8 n PRO 116 Cb 0.00 -1.70 0.00 0.00 -0.04 0.00 0.00 33.50 31.76 3it8 n PRO 116 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 3it8 n LEU 117 N 1.59 0.00 -3.96 1.53 7.94 -0.34 -4.68 117.00 119.09 3it8 n LEU 117 Ca 0.13 0.00 -0.13 0.00 -1.11 0.00 0.00 56.01 54.90 3it8 n LEU 117 Cb 0.28 -0.13 -0.13 0.00 0.53 0.00 0.00 43.42 43.97 3it8 n LEU 117 CO 0.60 -0.35 -0.38 0.00 -1.11 0.00 0.00 177.39 176.15 3it8 s ALA 118 N -2.60 0.26 -0.12 1.96 0.00 -0.76 -2.13 121.76 118.38 3it8 s ALA 118 Ca 0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 51.96 51.60 3it8 s ALA 118 Cb 0.00 0.01 -0.03 0.00 0.00 0.00 0.00 23.12 23.10 3it8 s ALA 118 CO 0.00 -0.01 -0.06 0.50 0.00 0.00 0.00 175.76 176.19 3it8 s ARG 119 N -0.66 3.26 -0.21 0.00 3.52 0.19 0.34 118.95 125.38 3it8 s ARG 119 Ca -0.05 -0.55 -0.21 0.00 -0.13 0.00 0.00 55.73 54.79 3it8 s ARG 119 Cb -0.05 -2.75 -0.02 0.00 -1.56 0.00 0.00 34.95 30.57 3it8 s ARG 119 CO -0.00 0.42 0.67 -0.47 -0.81 0.00 0.00 175.30 175.10 3it8 s TYR 120 N -0.14 3.36 -0.27 5.12 5.04 0.48 0.28 117.35 131.22 3it8 s TYR 120 Ca 0.02 0.96 -0.10 0.00 -2.44 0.00 0.00 57.07 55.51 3it8 s TYR 120 Cb -0.13 -2.85 -0.04 0.00 0.35 0.00 0.00 41.96 39.29 3it8 s TYR 120 CO 0.03 -0.23 0.16 -1.01 -1.34 0.00 0.00 175.55 173.16 3it8 s HIS 121 N 2.12 3.19 0.37 4.97 3.76 -0.57 -4.64 115.29 124.50 3it8 s HIS 121 Ca 0.30 -0.02 0.08 0.00 -0.15 0.00 0.00 55.06 55.27 3it8 s HIS 121 Cb -0.16 -2.34 0.82 0.00 1.11 0.00 0.00 32.58 32.01 3it8 s HIS 121 CO 0.10 -0.20 1.93 1.15 -0.85 0.00 0.00 174.74 176.87 3it8 h THR 122 N 5.40 0.94 0.40 1.30 2.02 -1.94 0.29 112.91 121.31 3it8 h THR 122 Ca -0.36 -0.23 -0.02 0.00 0.77 0.00 0.00 66.41 66.57 3it8 h THR 122 Cb 1.19 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 67.81 3it8 h THR 122 CO 0.56 0.12 -0.19 1.23 0.37 0.00 0.00 175.52 177.61 3it8 h GLY 123 N 0.67 -0.56 2.00 2.16 0.00 -1.96 -3.29 103.07 102.09 3it8 h GLY 123 Ca 0.35 0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.89 3it8 h GLY 123 CO -0.13 -0.20 0.00 -0.55 0.00 0.00 0.00 176.54 175.66 3it8 h ASP 124 N -0.79 0.00 -5.75 0.19 3.32 -1.99 -3.47 116.42 107.94 3it8 h ASP 124 Ca -0.05 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.64 3it8 h ASP 124 Cb 0.41 0.00 0.15 0.00 0.22 0.00 0.00 39.33 40.11 3it8 h ASP 124 CO 0.09 0.00 -0.77 0.29 -1.72 0.00 0.00 179.24 177.13 3it8 n LYS 125 N -2.71 -6.51 -3.76 3.56 5.02 0.08 -4.99 118.16 108.85 3it8 n LYS 125 Ca 0.01 0.81 -0.05 0.00 -2.02 0.00 0.00 58.31 57.06 3it8 n LYS 125 Cb 0.24 -5.76 -0.02 0.00 -0.02 0.00 0.00 35.03 29.47 3it8 n LYS 125 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 3it8 s ARG 126 N -5.58 1.36 0.34 1.97 1.70 -1.22 -5.02 118.95 112.51 3it8 s ARG 126 Ca 0.08 -0.74 -0.09 0.00 -0.47 0.00 0.00 55.73 54.51 3it8 s ARG 126 Cb -0.04 0.48 -0.06 0.00 -0.57 0.00 0.00 34.95 34.76 3it8 s ARG 126 CO 0.74 -0.62 0.67 -0.06 -1.08 0.00 0.00 175.30 174.95 3it8 s PHE 127 N -3.49 3.46 -0.01 5.89 0.40 -1.26 -1.50 117.98 121.47 3it8 s PHE 127 Ca 0.11 0.89 0.02 0.00 -0.60 0.00 0.00 56.93 57.35 3it8 s PHE 127 Cb -0.03 -2.31 -0.00 0.00 0.51 0.00 0.00 43.02 41.19 3it8 s PHE 127 CO 0.03 0.05 -0.06 0.99 0.70 0.00 0.00 175.22 176.92 3it8 s THR 128 N -2.18 0.49 0.31 0.64 2.01 0.14 -4.92 115.64 112.13 3it8 s THR 128 Ca 0.48 -0.26 -0.27 0.00 0.31 0.00 0.00 61.69 61.95 3it8 s THR 128 Cb -0.11 -0.42 -0.13 0.00 0.01 0.00 0.00 72.50 71.85 3it8 s THR 128 CO 0.29 0.14 1.03 2.29 -0.69 0.00 0.00 174.62 177.68 3it8 n LYS 129 N 2.99 1.42 0.00 4.92 2.85 -1.26 -0.64 118.16 128.44 3it8 n LYS 129 Ca -0.14 0.50 0.07 0.00 -1.05 0.00 0.00 58.31 57.70 3it8 n LYS 129 Cb 0.57 -1.91 -0.09 0.00 -0.65 0.00 0.00 35.03 32.96 3it8 n LYS 129 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 177.40 176.02 3it8 n MET 130 N 0.64 1.79 -4.18 -1.58 2.81 -0.91 -4.74 117.12 110.96 3it8 n MET 130 Ca 0.09 -0.02 -0.12 0.00 -1.81 0.00 0.00 57.70 55.84 3it8 n MET 130 Cb 0.33 -1.24 -0.10 0.00 -0.71 0.00 0.00 33.22 31.50 3it8 n MET 130 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 3it8 s THR 131 N -2.47 0.79 0.38 2.03 2.01 -1.26 -4.76 115.64 112.36 3it8 s THR 131 Ca 0.06 -1.86 0.06 0.00 0.31 0.00 0.00 61.69 60.26 3it8 s THR 131 Cb 0.12 -1.59 0.28 0.00 0.01 0.00 0.00 72.50 71.31 3it8 s THR 131 CO 0.64 -0.78 2.02 1.12 -0.69 0.00 0.00 174.62 176.93 3it8 h HIS 132 N 3.12 0.66 -1.06 4.92 2.07 -1.98 -2.52 115.15 120.36 3it8 h HIS 132 Ca -0.36 0.02 0.30 0.00 -2.85 0.00 0.00 60.37 57.48 3it8 h HIS 132 Cb 1.17 -0.22 -0.05 0.00 2.57 0.00 0.00 27.41 30.88 3it8 h HIS 132 CO 0.61 0.40 0.74 -0.22 -3.07 0.00 0.00 177.93 176.39 3it8 h LYS 133 N 0.70 0.10 0.00 5.12 1.63 -1.99 -3.48 116.57 118.64 3it8 h LYS 133 Ca 0.22 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.02 3it8 h LYS 133 Cb 0.03 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.64 3it8 h LYS 133 CO -0.06 0.06 0.00 0.41 -3.45 0.00 0.00 179.45 176.42 3it8 n GLY 134 N -1.68 -2.61 3.01 5.01 0.00 -0.95 -5.01 105.19 102.97 3it8 n GLY 134 Ca 0.23 -1.67 -0.12 0.00 0.00 0.00 0.00 46.02 44.46 3it8 n GLY 134 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3it8 s PHE 135 N -0.71 -0.08 0.02 1.61 -0.12 -1.26 -4.86 117.98 112.58 3it8 s PHE 135 Ca 0.00 0.20 -0.30 0.00 -0.05 0.00 0.00 56.93 56.77 3it8 s PHE 135 Cb 0.00 0.02 -0.07 0.00 -0.63 0.00 0.00 43.02 42.33 3it8 s PHE 135 CO 0.00 -0.11 1.65 -1.25 -0.05 0.00 0.00 175.22 175.46 3it8 s PRO 136 N -0.27 4.20 -1.31 1.99 0.04 -1.26 -4.91 135.00 133.48 3it8 s PRO 136 Ca -0.03 2.27 -0.18 0.00 0.04 0.00 0.00 61.00 63.09 3it8 s PRO 136 Cb -0.03 -3.75 0.05 0.00 0.04 0.00 0.00 34.50 30.82 3it8 s PRO 136 CO 0.00 -0.77 1.82 1.63 0.04 0.00 0.00 177.00 179.73 3it8 n LYS 137 N 6.16 3.02 -4.23 4.56 5.02 -1.26 -4.86 118.16 126.57 3it8 n LYS 137 Ca 0.16 -3.11 -0.13 0.00 -2.02 0.00 0.00 58.31 53.21 3it8 n LYS 137 Cb 0.42 -3.48 -0.10 0.00 -0.02 0.00 0.00 35.03 31.85 3it8 n LYS 137 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3it8 s VAL 138 N 4.56 0.20 0.00 -0.18 -7.23 -1.26 -4.73 120.40 111.76 3it8 s VAL 138 Ca 0.54 -1.99 0.00 0.00 -1.81 0.00 0.00 61.98 58.72 3it8 s VAL 138 Cb 0.05 -2.48 0.00 0.00 0.56 0.00 0.00 36.38 34.51 3it8 s VAL 138 CO 0.06 -0.07 0.00 0.61 -0.31 0.00 0.00 175.10 175.39 3it8 n GLY 139 N -0.31 2.70 0.00 2.32 0.00 -1.26 -0.86 105.19 107.78 3it8 n GLY 139 Ca 0.00 -0.11 0.09 0.00 0.00 0.00 0.00 46.02 46.00 3it8 n GLY 139 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 3it8 n MET 140 N 14.00 0.54 0.00 1.61 -0.00 -1.26 -3.31 117.12 128.70 3it8 n MET 140 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 57.70 57.82 3it8 n MET 140 Cb 0.00 -1.50 0.23 0.00 -0.00 0.00 0.00 33.22 31.96 3it8 n MET 140 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 3it8 n LEU 141 N -1.00 1.52 -4.31 3.17 4.77 -0.04 -4.95 117.00 116.17 3it8 n LEU 141 Ca 0.13 -0.49 -0.24 0.00 -0.03 0.00 0.00 56.01 55.38 3it8 n LEU 141 Cb 0.06 -0.06 -0.12 0.00 -2.33 0.00 0.00 43.42 40.97 3it8 n LEU 141 CO 0.10 0.28 -0.51 -0.89 -1.33 0.00 0.00 177.39 175.03 3it8 s THR 142 N -2.44 1.79 0.16 -5.08 2.01 -1.21 -4.69 115.64 106.18 3it8 s THR 142 Ca 0.23 -1.67 0.35 0.00 0.31 0.00 0.00 61.69 60.91 3it8 s THR 142 Cb 0.19 -1.67 0.40 0.00 0.01 0.00 0.00 72.50 71.42 3it8 s THR 142 CO 0.52 -0.12 2.02 0.58 -0.69 0.00 0.00 174.62 176.93 3it8 h VAL 143 N 3.82 0.02 -0.30 3.82 2.07 -1.92 -2.64 116.25 121.11 3it8 h VAL 143 Ca -0.45 -0.48 0.02 0.00 0.82 0.00 0.00 66.70 66.61 3it8 h VAL 143 Cb 1.19 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 32.41 3it8 h VAL 143 CO 0.43 0.01 0.20 0.11 0.02 0.00 0.00 177.57 178.34 3it8 h LYS 144 N 0.00 0.31 -6.83 1.57 1.79 -1.94 -3.44 116.57 108.04 3it8 h LYS 144 Ca -0.00 -0.02 -0.53 0.00 -2.18 0.00 0.00 60.65 57.92 3it8 h LYS 144 Cb 0.47 -0.07 0.09 0.00 -1.58 0.00 0.00 32.23 31.13 3it8 h LYS 144 CO 0.00 0.21 0.88 1.21 -1.08 0.00 0.00 179.45 180.67 3it8 s ASN 145 N -6.73 6.35 0.58 0.86 3.84 -1.00 -4.90 114.94 113.93 3it8 s ASN 145 Ca -0.07 2.99 0.27 0.00 0.21 0.00 0.00 52.86 56.26 3it8 s ASN 145 Cb 0.18 -2.64 1.72 0.00 -0.55 0.00 0.00 41.25 39.96 3it8 s ASN 145 CO 0.71 -0.93 2.22 0.00 -2.79 0.00 0.00 177.10 176.32 3it8 h THR 146 N 3.33 0.59 -0.39 -5.21 1.03 -1.90 -2.12 112.91 108.23 3it8 h THR 146 Ca -0.48 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 65.92 3it8 h THR 146 Cb 1.22 0.98 0.00 0.00 -1.07 0.00 0.00 68.15 69.28 3it8 h THR 146 CO 0.78 0.00 0.00 0.18 -0.01 0.00 0.00 175.52 176.47 3it8 n LEU 147 N -3.95 3.13 -0.30 0.00 4.77 -1.26 -4.50 117.00 114.88 3it8 n LEU 147 Ca -0.02 -1.38 0.13 0.00 -0.03 0.00 0.00 56.01 54.70 3it8 n LEU 147 Cb 0.11 -0.26 0.30 0.00 -2.33 0.00 0.00 43.42 41.25 3it8 n LEU 147 CO 0.28 0.69 1.00 -0.25 -1.33 0.00 0.00 177.39 177.79 3it8 h TRP 148 N 3.94 0.52 -0.76 -1.77 -0.00 -1.67 0.27 115.95 116.47 3it8 h TRP 148 Ca 0.00 0.04 0.10 0.00 -0.00 0.00 0.00 58.89 59.04 3it8 h TRP 148 Cb 0.87 -0.09 -0.05 0.00 -0.00 0.00 0.00 29.16 29.89 3it8 h TRP 148 CO 0.26 -0.12 0.50 0.87 -0.00 0.00 0.00 178.44 179.94 3it8 h LYS 149 N 0.31 0.62 -0.09 2.65 1.79 -1.83 0.00 116.57 120.02 3it8 h LYS 149 Ca 0.56 -0.04 -0.19 0.00 -2.18 0.00 0.00 60.65 58.80 3it8 h LYS 149 Cb 1.09 -0.14 -0.00 0.00 -1.58 0.00 0.00 32.23 31.60 3it8 h LYS 149 CO -0.58 0.41 -0.73 -0.44 -1.08 0.00 0.00 179.45 177.03 3it8 h ASP 150 N 0.64 0.52 0.26 0.86 3.32 -0.81 -2.42 116.42 118.79 3it8 h ASP 150 Ca 0.36 -0.34 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 3it8 h ASP 150 Cb 0.52 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.92 3it8 h ASP 150 CO -0.13 1.09 -0.12 0.58 -1.72 0.00 0.00 179.24 178.93 3it8 h VAL 151 N 0.30 0.76 -0.63 -1.35 2.07 -0.50 0.25 116.25 117.16 3it8 h VAL 151 Ca -0.03 -0.10 0.12 0.00 0.82 0.00 0.00 66.70 67.51 3it8 h VAL 151 Cb 1.31 0.82 -0.09 0.00 -1.52 0.00 0.00 31.29 31.81 3it8 h VAL 151 CO 0.13 0.02 0.13 0.11 0.02 0.00 0.00 177.57 177.98 3it8 h LYS 152 N -0.39 0.25 -0.01 1.57 1.57 -1.08 0.14 116.57 118.63 3it8 h LYS 152 Ca -0.04 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3it8 h LYS 152 Cb 0.30 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.55 3it8 h LYS 152 CO 0.06 0.17 -0.01 0.00 -0.57 0.00 0.00 179.45 179.10 3it8 h ALA 153 N 1.51 0.01 0.00 3.86 0.00 -1.13 -0.81 119.26 122.70 3it8 h ALA 153 Ca 0.34 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3it8 h ALA 153 Cb 0.52 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3it8 h ALA 153 CO -0.43 -0.25 -0.00 1.88 0.00 0.00 0.00 179.25 180.45 3it8 h TYR 154 N -0.45 -0.00 0.00 0.00 0.99 -0.29 -2.55 116.97 114.66 3it8 h TYR 154 Ca 0.00 -0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.72 3it8 h TYR 154 Cb 0.48 0.00 -0.00 0.00 1.00 0.00 0.00 36.73 38.21 3it8 h TYR 154 CO 0.09 0.64 -0.10 1.25 -0.00 0.00 0.00 178.16 180.04 3it8 h LEU 155 N -0.65 0.00 -0.48 3.88 5.85 -0.88 -3.15 115.31 119.88 3it8 h LEU 155 Ca -0.00 -0.61 0.03 0.00 0.84 0.00 0.00 57.88 58.14 3it8 h LEU 155 Cb 0.64 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.64 3it8 h LEU 155 CO 0.00 0.86 0.28 1.23 -0.34 0.00 0.00 178.44 180.47 3it8 h GLY 156 N -1.00 0.67 0.98 3.75 0.00 -1.02 -1.64 103.07 104.81 3it8 h GLY 156 Ca -0.02 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.10 3it8 h GLY 156 CO -0.01 0.17 0.13 -1.33 0.00 0.00 0.00 176.54 175.50 3it8 h GLY 157 N 0.55 0.30 0.87 4.60 0.00 -0.93 0.35 103.07 108.81 3it8 h GLY 157 Ca 0.19 -0.12 0.03 0.00 0.00 0.00 0.00 47.33 47.43 3it8 h GLY 157 CO -0.10 0.12 0.32 -2.75 0.00 0.00 0.00 176.54 174.13 3it8 h PHE 158 N 0.27 0.59 -0.12 5.60 3.57 -1.48 -1.47 116.94 123.90 3it8 h PHE 158 Ca 0.08 0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.46 3it8 h PHE 158 Cb -0.00 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.54 3it8 h PHE 158 CO -0.05 0.34 -0.50 1.49 -2.23 0.00 0.00 178.31 177.35 3it8 h GLU 159 N 0.63 0.33 -0.30 1.11 4.81 -1.04 0.24 114.58 120.35 3it8 h GLU 159 Ca 0.22 -0.19 -0.15 0.00 -0.13 0.00 0.00 59.36 59.11 3it8 h GLU 159 Cb 0.03 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 3it8 h GLU 159 CO -0.10 0.76 -0.40 -0.92 -0.73 0.00 0.00 179.01 177.62 3it8 h TYR 160 N 0.26 0.88 0.00 0.92 3.20 0.29 -3.45 116.97 119.07 3it8 h TYR 160 Ca 0.01 -0.26 0.00 0.00 3.14 0.00 0.00 58.73 61.62 3it8 h TYR 160 Cb 0.98 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 39.06 3it8 h TYR 160 CO 0.02 1.02 0.00 -0.12 -1.64 0.00 0.00 178.16 177.44 3it8 n MET 161 N -4.04 0.00 -0.24 1.82 0.00 -0.61 -4.98 117.12 109.07 3it8 n MET 161 Ca -0.02 0.00 -0.02 0.00 0.00 0.00 0.00 57.70 57.66 3it8 n MET 161 Cb 0.53 0.00 0.05 0.00 0.00 0.00 0.00 33.22 33.80 3it8 n MET 161 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 3it8 h GLY 162 N 0.00 0.20 0.95 -5.12 0.00 -1.14 -2.25 103.07 95.71 3it8 h GLY 162 Ca 0.00 0.36 -0.01 0.00 0.00 0.00 0.00 47.33 47.68 3it8 h GLY 162 CO 0.00 -0.24 -0.16 0.00 0.00 0.00 0.00 176.54 176.14 3it8 h SER 164 N -0.43 0.00 0.15 0.00 4.64 -1.65 0.11 113.55 116.38 3it8 h SER 164 Ca -0.03 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.04 3it8 h SER 164 Cb 0.34 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.45 3it8 h SER 164 CO 0.04 0.00 -1.18 -0.07 -0.87 0.00 0.00 176.83 174.76 3it8 h LEU 165 N 0.00 0.50 -0.27 5.97 3.38 -1.01 -3.37 115.31 120.51 3it8 h LEU 165 Ca 0.16 -0.91 -0.01 0.00 0.09 0.00 0.00 57.88 57.21 3it8 h LEU 165 Cb 0.82 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 3it8 h LEU 165 CO -0.00 1.54 0.14 0.00 0.09 0.00 0.00 178.44 180.21 3it8 h ALA 166 N 0.04 0.34 -1.07 1.53 0.00 0.35 -2.80 119.26 117.66 3it8 h ALA 166 Ca -0.23 -0.07 0.31 0.00 0.00 0.00 0.00 54.91 54.92 3it8 h ALA 166 Cb 1.78 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 19.42 3it8 h ALA 166 CO 0.13 -0.12 0.79 0.97 0.00 0.00 0.00 179.25 181.03 3it8 h ILE 167 N 0.31 0.42 -0.02 0.00 2.10 -1.01 0.47 117.51 119.78 3it8 h ILE 167 Ca 0.09 0.00 -0.13 0.00 1.08 0.00 0.00 64.86 65.90 3it8 h ILE 167 Cb 0.08 0.44 -0.02 0.00 -1.09 0.00 0.00 36.82 36.24 3it8 h ILE 167 CO -0.01 0.00 -0.59 -0.07 -1.08 0.00 0.00 178.15 176.40 3it8 h LEU 168 N 0.00 0.09 -0.31 2.19 3.38 -1.66 -2.30 115.31 116.70 3it8 h LEU 168 Ca 0.51 -0.05 -0.20 0.00 0.09 0.00 0.00 57.88 58.23 3it8 h LEU 168 Cb 2.09 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.81 3it8 h LEU 168 CO -0.01 0.66 -0.67 0.44 0.09 0.00 0.00 178.44 178.95 3it8 h ASP 169 N 0.06 0.81 -0.23 -0.43 3.32 -0.16 -2.60 116.42 117.18 3it8 h ASP 169 Ca -0.01 -0.49 -0.00 0.00 0.02 0.00 0.00 57.03 56.55 3it8 h ASP 169 Cb 1.06 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.36 3it8 h ASP 169 CO 0.08 1.26 0.13 1.88 -1.72 0.00 0.00 179.24 180.87 3it8 h TYR 170 N 0.51 0.32 -0.57 4.55 -1.99 -1.37 -2.50 116.97 115.92 3it8 h TYR 170 Ca -0.02 -0.01 0.09 0.00 2.00 0.00 0.00 58.73 60.80 3it8 h TYR 170 Cb 1.27 -0.10 -0.07 0.00 2.00 0.00 0.00 36.73 39.82 3it8 h TYR 170 CO 0.07 0.27 0.16 0.37 -0.00 0.00 0.00 178.16 179.03 3it8 h GLN 171 N 0.27 0.31 -0.02 4.88 4.15 -1.36 0.70 115.11 124.03 3it8 h GLN 171 Ca 0.08 -0.02 0.02 0.00 0.77 0.00 0.00 58.65 59.50 3it8 h GLN 171 Cb 0.06 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 27.65 3it8 h GLN 171 CO -0.01 0.20 -0.10 0.87 -1.93 0.00 0.00 178.83 177.86 3it8 h LYS 172 N 0.31 -0.16 0.00 1.69 1.57 -1.18 -0.75 116.57 118.05 3it8 h LYS 172 Ca 0.29 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 3it8 h LYS 172 Cb 0.38 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.73 3it8 h LYS 172 CO -0.33 -0.11 0.00 -1.33 -0.57 0.00 0.00 179.45 177.11 3it8 n MET 173 N -5.23 0.17 -0.01 3.15 2.81 -0.91 -3.11 117.12 113.98 3it8 n MET 173 Ca -0.05 0.30 -0.02 0.00 -1.81 0.00 0.00 57.70 56.12 3it8 n MET 173 Cb 0.16 -1.77 -0.12 0.00 -0.71 0.00 0.00 33.22 30.78 3it8 n MET 173 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3it8 n ALA 174 N -1.71 1.87 0.00 3.04 0.00 0.19 -4.66 120.51 119.24 3it8 n ALA 174 Ca 0.04 -0.76 0.00 0.00 0.00 0.00 0.00 53.44 52.72 3it8 n ALA 174 Cb 0.28 -0.74 0.00 0.00 0.00 0.00 0.00 19.45 19.00 3it8 n ALA 174 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3it8 n LYS 175 N -2.81 0.00 0.10 0.00 4.81 -0.34 -0.58 118.16 119.35 3it8 n LYS 175 Ca -0.16 0.00 0.07 0.00 -0.87 0.00 0.00 58.31 57.36 3it8 n LYS 175 Cb 0.91 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.97 3it8 n LYS 175 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 3it8 h GLY 176 N 0.00 0.00 -1.75 3.14 0.00 -1.85 -3.39 103.07 99.22 3it8 h GLY 176 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3it8 h GLY 176 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.82 3it8 n LYS 177 N -2.86 2.33 -4.22 4.80 5.02 0.26 -4.94 118.16 118.56 3it8 n LYS 177 Ca -0.02 -1.29 -0.13 0.00 -2.02 0.00 0.00 58.31 54.85 3it8 n LYS 177 Cb 0.65 -1.61 -0.10 0.00 -0.02 0.00 0.00 35.03 33.95 3it8 n LYS 177 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 3it8 s ILE 178 N -1.69 0.06 0.19 -0.18 -4.36 -1.21 -5.07 121.20 108.93 3it8 s ILE 178 Ca 0.23 -2.00 -0.32 0.00 -0.26 0.00 0.00 60.65 58.30 3it8 s ILE 178 Cb 0.15 -2.51 -0.16 0.00 1.25 0.00 0.00 42.46 41.19 3it8 s ILE 178 CO 0.10 0.00 1.01 -2.65 0.24 0.00 0.00 174.94 173.64 3it8 n PRO 179 N -0.31 0.90 -1.70 0.37 -0.02 -1.26 -4.93 135.00 128.05 3it8 n PRO 179 Ca 0.02 0.32 -0.32 0.00 -2.02 0.00 0.00 63.50 61.50 3it8 n PRO 179 Cb 0.66 -1.70 0.05 0.00 -0.02 0.00 0.00 33.50 32.48 3it8 n PRO 179 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 3it8 s LYS 180 N -0.70 2.89 0.45 -0.52 -2.85 -1.26 -4.93 119.74 112.81 3it8 s LYS 180 Ca 0.70 1.17 -0.25 0.00 -1.00 0.00 0.00 55.97 56.59 3it8 s LYS 180 Cb -0.87 -1.98 -0.08 0.00 -2.06 0.00 0.00 37.83 32.84 3it8 s LYS 180 CO 0.55 -1.15 1.37 -0.51 0.10 0.00 0.00 175.35 175.71 3it8 s ASP 181 N -3.14 5.96 -0.04 0.03 1.11 -1.26 -4.72 116.67 114.62 3it8 s ASP 181 Ca 0.62 2.80 -0.02 0.00 0.18 0.00 0.00 52.55 56.13 3it8 s ASP 181 Cb -0.17 -2.65 0.03 0.00 1.07 0.00 0.00 42.92 41.21 3it8 s ASP 181 CO 0.47 -1.10 0.05 -0.89 1.18 0.00 0.00 175.17 174.87 3it8 s THR 182 N -1.24 -0.03 0.08 -1.27 2.01 -1.26 -4.87 115.64 109.05 3it8 s THR 182 Ca 0.61 0.37 -0.30 0.00 0.31 0.00 0.00 61.69 62.67 3it8 s THR 182 Cb -0.41 -0.20 -0.05 0.00 0.01 0.00 0.00 72.50 71.84 3it8 s THR 182 CO 0.52 0.19 1.11 -0.89 -0.69 0.00 0.00 174.62 174.86 3it8 s THR 183 N 2.05 4.21 0.87 -0.82 2.01 -1.26 -1.40 115.64 121.31 3it8 s THR 183 Ca 0.04 1.66 -0.13 0.00 0.31 0.00 0.00 61.69 63.57 3it8 s THR 183 Cb -0.12 -4.07 0.14 0.00 0.01 0.00 0.00 72.50 68.46 3it8 s THR 183 CO -0.03 0.17 1.23 -2.16 -0.69 0.00 0.00 174.62 173.13 3it8 s PRO 184 N 0.67 1.32 -0.11 4.92 0.04 -1.26 -4.75 135.00 135.84 3it8 s PRO 184 Ca 0.54 -0.24 0.01 0.00 0.04 0.00 0.00 61.00 61.35 3it8 s PRO 184 Cb -0.27 -1.94 -0.01 0.00 0.04 0.00 0.00 34.50 32.31 3it8 s PRO 184 CO 0.30 -1.96 -0.15 0.99 0.04 0.00 0.00 177.00 176.22 3it8 s THR 185 N -3.68 2.89 0.08 1.26 2.01 -0.78 -4.88 115.64 112.55 3it8 s THR 185 Ca 0.68 -0.73 0.10 0.00 0.31 0.00 0.00 61.69 62.05 3it8 s THR 185 Cb -0.07 -2.19 -0.03 0.00 0.01 0.00 0.00 72.50 70.22 3it8 s THR 185 CO 0.50 0.54 -0.26 -0.69 -0.69 0.00 0.00 174.62 174.02 3it8 s VAL 186 N 0.20 2.15 -0.20 3.82 1.01 -1.26 0.16 120.40 126.28 3it8 s VAL 186 Ca -0.09 -1.54 -0.13 0.00 0.00 0.00 0.00 61.98 60.21 3it8 s VAL 186 Cb -0.15 -1.87 0.06 0.00 0.00 0.00 0.00 36.38 34.41 3it8 s VAL 186 CO 0.05 0.23 0.51 -0.54 0.00 0.00 0.00 175.10 175.35 3it8 s LYS 187 N -1.60 0.53 -0.18 2.72 1.02 -0.98 -5.02 119.74 116.22 3it8 s LYS 187 Ca 0.12 0.87 -0.04 0.00 0.02 0.00 0.00 55.97 56.94 3it8 s LYS 187 Cb -0.10 0.11 -0.02 0.00 -0.52 0.00 0.00 37.83 37.30 3it8 s LYS 187 CO 0.04 -0.13 -0.03 0.08 -0.92 0.00 0.00 175.35 174.39 3it8 s VAL 188 N 1.11 3.78 0.01 3.17 1.01 -1.26 -1.40 120.40 126.82 3it8 s VAL 188 Ca -0.07 -0.38 0.04 0.00 0.00 0.00 0.00 61.98 61.57 3it8 s VAL 188 Cb -0.06 -2.69 -0.03 0.00 0.00 0.00 0.00 36.38 33.60 3it8 s VAL 188 CO -0.10 0.45 -0.09 -0.89 0.00 0.00 0.00 175.10 174.47 3it8 s THR 189 N 0.82 3.44 -0.90 3.92 2.01 0.14 -4.47 115.64 120.61 3it8 s THR 189 Ca -0.01 -0.85 0.00 0.00 0.31 0.00 0.00 61.69 61.14 3it8 s THR 189 Cb -0.14 -2.48 0.30 0.00 0.01 0.00 0.00 72.50 70.19 3it8 s THR 189 CO 0.02 0.40 1.34 0.61 -0.69 0.00 0.00 174.62 176.29 3it8 n GLY 190 N 1.61 5.43 0.00 4.40 0.00 -1.26 -0.00 105.19 115.37 3it8 n GLY 190 Ca -0.16 -2.69 0.00 0.00 0.00 0.00 0.00 46.02 43.18 3it8 n GLY 190 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3it8 n ASN 191 N 0.61 -0.35 -3.15 1.61 3.02 -0.79 -3.49 115.26 112.71 3it8 n ASN 191 Ca 0.33 -0.23 0.04 0.00 -0.03 0.00 0.00 54.58 54.70 3it8 n ASN 191 Cb 0.34 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.50 3it8 n ASN 191 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3it8 s GLU 192 N -1.20 0.49 0.00 3.52 2.02 -1.26 -2.40 118.70 119.86 3it8 s GLU 192 Ca 0.00 0.84 0.00 0.00 0.02 0.00 0.00 54.97 55.83 3it8 s GLU 192 Cb 0.00 0.46 0.00 0.00 0.10 0.00 0.00 34.13 34.69 3it8 s GLU 192 CO 0.00 -0.56 0.79 1.28 0.02 0.00 0.00 175.26 176.80 3it8 n LEU 193 N 5.43 2.19 0.00 1.80 4.77 -1.26 -4.90 117.00 125.03 3it8 n LEU 193 Ca -0.02 -1.01 0.00 0.00 -0.03 0.00 0.00 56.01 54.95 3it8 n LEU 193 Cb 0.52 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 3it8 n LEU 193 CO -0.00 0.40 0.00 -0.62 -1.33 0.00 0.00 177.39 175.84 3it8 n GLU 194 N 1.37 0.00 -0.27 3.23 1.02 -1.26 -4.05 120.64 120.68 3it8 n GLU 194 Ca 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.09 3it8 n GLU 194 Cb 0.25 0.00 0.06 0.00 -0.02 0.00 0.00 31.44 31.73 3it8 n GLU 194 CO 0.00 0.00 0.00 0.38 1.18 0.00 0.00 177.13 178.69 3it8 h ASP 195 N 0.00 0.88 -3.39 1.62 2.03 -2.04 -3.43 116.42 112.08 3it8 h ASP 195 Ca 0.00 -0.06 -0.48 0.00 -0.73 0.00 0.00 57.03 55.77 3it8 h ASP 195 Cb 0.00 -0.22 0.04 0.00 -0.83 0.00 0.00 39.33 38.32 3it8 h ASP 195 CO 0.00 0.67 0.08 -0.83 -1.03 0.00 0.00 179.24 178.14 3it8 s GLY 196 N -2.96 1.56 0.00 7.15 0.00 -1.26 -5.06 107.32 106.76 3it8 s GLY 196 Ca -0.13 -0.74 0.00 0.00 0.00 0.00 0.00 44.72 43.85 3it8 s GLY 196 CO 0.79 -0.52 0.47 1.16 0.00 0.00 0.00 173.10 174.99 3it8 n ASN 197 N -2.36 0.00 -4.37 1.64 6.94 -1.26 -4.60 115.26 111.25 3it8 n ASN 197 Ca 0.02 0.48 -0.24 0.00 -0.02 0.00 0.00 54.58 54.83 3it8 n ASN 197 Cb 0.57 -0.07 -0.11 0.00 -2.36 0.00 0.00 39.78 37.80 3it8 n ASN 197 CO 0.00 0.00 0.00 -0.32 -1.03 0.00 0.00 177.26 175.91 3it8 s MET 198 N -1.08 1.37 -0.03 -3.83 -2.45 -1.26 -4.70 119.30 107.32 3it8 s MET 198 Ca 0.00 -1.46 0.01 0.00 -1.25 0.00 0.00 55.69 53.00 3it8 s MET 198 Cb 0.00 -1.53 0.01 0.00 1.25 0.00 0.00 34.83 34.57 3it8 s MET 198 CO 0.00 0.32 -0.05 -0.08 1.05 0.00 0.00 175.02 176.26 3it8 s THR 199 N -1.91 0.49 -0.10 10.11 -1.32 -1.01 -1.01 115.64 120.89 3it8 s THR 199 Ca 0.18 -0.16 -0.01 0.00 -1.21 0.00 0.00 61.69 60.49 3it8 s THR 199 Cb -0.07 -0.48 -0.03 0.00 -1.51 0.00 0.00 72.50 70.41 3it8 s THR 199 CO 0.08 0.19 -0.05 -0.76 -2.21 0.00 0.00 174.62 171.86 3it8 s LEU 200 N 0.51 3.22 -0.18 9.08 1.43 -0.47 -1.89 118.68 130.39 3it8 s LEU 200 Ca -0.06 -0.05 -0.00 0.00 -1.03 0.00 0.00 54.13 52.99 3it8 s LEU 200 Cb -0.10 -1.73 0.04 0.00 0.03 0.00 0.00 46.19 44.44 3it8 s LEU 200 CO -0.00 0.30 -0.05 -0.70 0.23 0.00 0.00 176.35 176.13 3it8 s GLU 201 N -0.44 1.44 -0.26 1.70 2.12 1.00 -0.11 118.70 124.15 3it8 s GLU 201 Ca 0.07 -0.58 -0.13 0.00 0.36 0.00 0.00 54.97 54.68 3it8 s GLU 201 Cb -0.12 -2.10 -0.04 0.00 0.26 0.00 0.00 34.13 32.12 3it8 s GLU 201 CO 0.02 -0.46 0.29 0.00 -0.54 0.00 0.00 175.26 174.57 3it8 s THR 203 N 1.72 1.75 -0.23 0.00 -4.23 -0.49 0.12 115.64 114.28 3it8 s THR 203 Ca 0.12 -0.81 -0.05 0.00 -1.18 0.00 0.00 61.69 59.77 3it8 s THR 203 Cb -0.15 -1.56 -0.01 0.00 1.34 0.00 0.00 72.50 72.12 3it8 s THR 203 CO 0.09 0.49 -0.02 -0.69 -0.54 0.00 0.00 174.62 173.96 3it8 s VAL 204 N 0.72 3.58 -0.19 2.29 1.01 -0.26 -2.33 120.40 125.22 3it8 s VAL 204 Ca -0.11 -0.42 -0.08 0.00 0.00 0.00 0.00 61.98 61.36 3it8 s VAL 204 Cb -0.16 -2.64 -0.04 0.00 0.00 0.00 0.00 36.38 33.53 3it8 s VAL 204 CO 0.02 0.40 0.09 0.20 0.00 0.00 0.00 175.10 175.81 3it8 s ASN 205 N 1.51 5.82 -0.02 3.32 0.01 0.12 -0.66 114.94 125.05 3it8 s ASN 205 Ca 0.06 0.12 -0.02 0.00 -0.71 0.00 0.00 52.86 52.31 3it8 s ASN 205 Cb -0.14 -2.01 0.00 0.00 0.41 0.00 0.00 41.25 39.51 3it8 s ASN 205 CO -0.02 0.16 0.03 -1.54 -1.51 0.00 0.00 177.10 174.22 3it8 n SER 206 N 3.65 -4.79 -4.32 -1.22 3.41 -0.61 -1.86 113.62 107.89 3it8 n SER 206 Ca -0.16 0.27 -0.28 0.00 -0.26 0.00 0.00 58.87 58.44 3it8 n SER 206 Cb 0.52 -1.16 -0.14 0.00 -0.26 0.00 0.00 64.21 63.17 3it8 n SER 206 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 3it8 s PHE 207 N -0.76 2.10 0.00 7.33 -0.12 0.26 -3.97 117.98 122.82 3it8 s PHE 207 Ca 0.02 -0.40 0.00 0.00 -0.05 0.00 0.00 56.93 56.50 3it8 s PHE 207 Cb -0.00 -1.22 0.00 0.00 -0.63 0.00 0.00 43.02 41.16 3it8 s PHE 207 CO 0.04 0.16 0.01 0.98 -0.05 0.00 0.00 175.22 176.36 3it8 n TYR 208 N 1.58 0.00 -1.39 3.49 9.36 -0.49 -1.26 117.16 128.44 3it8 n TYR 208 Ca -0.17 0.00 -0.58 0.00 3.32 0.00 0.00 57.90 60.47 3it8 n TYR 208 Cb 0.53 0.00 -0.10 0.00 -0.63 0.00 0.00 39.34 39.14 3it8 n TYR 208 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3it8 n PRO 209 N -0.42 0.44 0.19 2.98 -0.04 -1.26 -4.59 135.00 132.30 3it8 n PRO 209 Ca 0.00 0.13 0.10 0.00 -0.04 0.00 0.00 63.50 63.69 3it8 n PRO 209 Cb 0.00 -1.85 0.53 0.00 -0.04 0.00 0.00 33.50 32.14 3it8 n PRO 209 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 3it8 h PRO 210 N 9.53 0.00 -6.23 0.54 0.13 -1.94 -3.43 132.00 130.60 3it8 h PRO 210 Ca -0.21 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.35 3it8 h PRO 210 Cb 1.38 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.47 3it8 h PRO 210 CO 1.05 0.00 0.63 0.16 -0.23 0.00 0.00 178.00 179.61 3it8 s ASP 211 N -3.81 7.19 -0.05 1.44 -4.77 -1.26 -5.01 116.67 110.39 3it8 s ASP 211 Ca -0.02 1.55 -0.05 0.00 -3.30 0.00 0.00 52.55 50.73 3it8 s ASP 211 Cb 0.06 -2.55 0.01 0.00 -1.09 0.00 0.00 42.92 39.35 3it8 s ASP 211 CO 0.18 -0.51 0.14 -0.69 0.70 0.00 0.00 175.17 174.99 3it8 s VAL 212 N 2.28 -0.00 0.04 2.11 1.01 -1.26 -4.70 120.40 119.89 3it8 s VAL 212 Ca 0.49 0.00 0.05 0.00 0.00 0.00 0.00 61.98 62.52 3it8 s VAL 212 Cb -0.19 -0.21 -0.02 0.00 0.00 0.00 0.00 36.38 35.96 3it8 s VAL 212 CO 0.16 0.00 -0.14 -0.63 0.00 0.00 0.00 175.10 174.50 3it8 s ILE 213 N 0.10 1.10 -0.02 2.22 1.01 -0.89 -5.01 121.20 119.70 3it8 s ILE 213 Ca -0.00 -1.02 0.04 0.00 0.00 0.00 0.00 60.65 59.67 3it8 s ILE 213 Cb -0.01 -1.00 -0.01 0.00 0.01 0.00 0.00 42.46 41.45 3it8 s ILE 213 CO 0.00 -0.02 -0.15 0.28 0.00 0.00 0.00 174.94 175.05 3it8 s THR 214 N -0.89 1.20 -0.07 2.92 -1.32 -1.26 -0.36 115.64 115.86 3it8 s THR 214 Ca 0.01 -0.62 0.03 0.00 -1.21 0.00 0.00 61.69 59.90 3it8 s THR 214 Cb -0.08 -1.01 0.01 0.00 -1.51 0.00 0.00 72.50 69.91 3it8 s THR 214 CO 0.01 0.34 -0.16 -0.54 -2.21 0.00 0.00 174.62 172.07 3it8 s LYS 215 N -0.17 2.07 -0.30 7.08 1.02 -0.06 -4.98 119.74 124.40 3it8 s LYS 215 Ca 0.02 -0.55 -0.10 0.00 0.02 0.00 0.00 55.97 55.36 3it8 s LYS 215 Cb -0.08 -1.65 -0.02 0.00 -0.52 0.00 0.00 37.83 35.56 3it8 s LYS 215 CO 0.00 0.08 0.17 -1.58 -0.92 0.00 0.00 175.35 173.10 3it8 s TRP 216 N 0.54 3.18 -0.04 3.18 0.52 -1.26 -0.47 118.94 124.60 3it8 s TRP 216 Ca -0.15 -0.30 0.04 0.00 0.02 0.00 0.00 56.10 55.71 3it8 s TRP 216 Cb -0.16 -2.37 -0.00 0.00 -1.15 0.00 0.00 33.47 29.79 3it8 s TRP 216 CO 0.05 -0.35 -0.15 0.42 0.02 0.00 0.00 176.95 176.94 3it8 s ILE 217 N 1.67 1.29 0.24 2.03 1.01 -0.94 -3.81 121.20 122.70 3it8 s ILE 217 Ca 0.06 -0.65 -0.31 0.00 0.00 0.00 0.00 60.65 59.75 3it8 s ILE 217 Cb -0.17 -1.11 -0.12 0.00 0.01 0.00 0.00 42.46 41.08 3it8 s ILE 217 CO 0.08 0.38 1.67 -1.61 0.00 0.00 0.00 174.94 175.46 3it8 s GLU 218 N 0.03 4.13 0.61 2.79 2.02 -1.26 -0.20 118.70 126.81 3it8 s GLU 218 Ca -0.03 2.59 0.31 0.00 0.02 0.00 0.00 54.97 57.86 3it8 s GLU 218 Cb -0.10 -3.06 1.72 0.00 0.10 0.00 0.00 34.13 32.79 3it8 s GLU 218 CO 0.02 -0.71 2.08 0.66 0.02 0.00 0.00 175.26 177.33 3it8 h SER 219 N 6.11 0.00 -0.98 -0.19 4.64 -1.66 -2.34 113.55 119.13 3it8 h SER 219 Ca -0.44 0.00 0.11 0.00 -0.47 0.00 0.00 61.79 60.98 3it8 h SER 219 Cb 1.21 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.22 3it8 h SER 219 CO 0.90 0.00 0.63 1.05 -0.87 0.00 0.00 176.83 178.53 3it8 h GLU 220 N 0.00 0.97 0.00 4.77 4.11 -1.89 -1.33 114.58 121.22 3it8 h GLU 220 Ca 0.08 -0.06 0.00 0.00 0.07 0.00 0.00 59.36 59.45 3it8 h GLU 220 Cb 0.53 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.56 3it8 h GLU 220 CO -0.00 0.64 0.00 0.72 0.07 0.00 0.00 179.01 180.44 3it8 n HIS 221 N -4.58 0.00 -0.38 2.06 8.25 -0.88 -1.59 115.22 118.10 3it8 n HIS 221 Ca 0.18 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.74 3it8 n HIS 221 Cb 0.32 -0.44 0.33 0.00 1.12 0.00 0.00 29.99 31.32 3it8 n HIS 221 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3it8 n PHE 222 N -1.44 1.19 -3.28 4.41 3.01 -0.50 -4.96 117.46 115.89 3it8 n PHE 222 Ca 0.01 -0.52 -0.09 0.00 1.01 0.00 0.00 57.45 57.87 3it8 n PHE 222 Cb 0.05 -0.11 -0.01 0.00 -0.01 0.00 0.00 39.48 39.39 3it8 n PHE 222 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 3it8 n LYS 223 N 1.35 -0.94 0.00 -1.08 4.01 -0.62 0.43 118.16 121.32 3it8 n LYS 223 Ca 0.24 -0.15 0.00 0.00 -0.51 0.00 0.00 58.31 57.89 3it8 n LYS 223 Cb 0.73 -0.39 0.00 0.00 -0.51 0.00 0.00 35.03 34.86 3it8 n LYS 223 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3it8 n GLY 224 N -1.29 2.53 3.51 0.72 0.00 -1.26 -4.98 105.19 104.41 3it8 n GLY 224 Ca -0.05 -0.03 -0.39 0.00 0.00 0.00 0.00 46.02 45.55 3it8 n GLY 224 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3it8 s GLU 225 N 0.00 3.59 -1.33 1.61 2.12 0.17 -5.01 118.70 119.85 3it8 s GLU 225 Ca 0.00 -0.56 -0.08 0.00 0.36 0.00 0.00 54.97 54.69 3it8 s GLU 225 Cb 0.00 -3.63 0.13 0.00 0.26 0.00 0.00 34.13 30.89 3it8 s GLU 225 CO 0.00 -0.33 2.15 0.66 -0.54 0.00 0.00 175.26 177.20 3it8 n TYR 226 N 5.03 2.79 -4.29 5.30 4.02 -1.26 -4.73 117.16 124.02 3it8 n TYR 226 Ca -0.14 -2.83 -0.18 0.00 -0.01 0.00 0.00 57.90 54.74 3it8 n TYR 226 Cb 0.50 -1.96 -0.15 0.00 -0.02 0.00 0.00 39.34 37.71 3it8 n TYR 226 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 3it8 s LYS 227 N 0.01 0.70 -0.40 -0.72 1.02 -1.26 -4.53 119.74 114.56 3it8 s LYS 227 Ca 0.47 -0.26 -0.22 0.00 0.02 0.00 0.00 55.97 55.99 3it8 s LYS 227 Cb 0.14 -0.68 0.01 0.00 -0.52 0.00 0.00 37.83 36.78 3it8 s LYS 227 CO -0.04 0.12 0.70 -0.47 -0.92 0.00 0.00 175.35 174.74 3it8 s TYR 228 N 0.03 3.08 -0.21 3.18 5.04 -1.26 -5.02 117.35 122.19 3it8 s TYR 228 Ca -0.00 0.25 -0.27 0.00 -2.44 0.00 0.00 57.07 54.61 3it8 s TYR 228 Cb -0.05 -3.36 -0.00 0.00 0.35 0.00 0.00 41.96 38.89 3it8 s TYR 228 CO -0.00 -0.79 0.94 0.08 -1.34 0.00 0.00 175.55 174.44 3it8 s VAL 229 N 2.95 4.77 0.00 3.14 1.01 -1.26 -5.00 120.40 126.01 3it8 s VAL 229 Ca 0.27 1.82 0.00 0.00 0.00 0.00 0.00 61.98 64.07 3it8 s VAL 229 Cb -0.14 -4.22 0.00 0.00 0.00 0.00 0.00 36.38 32.02 3it8 s VAL 229 CO 0.18 -0.10 0.41 -3.20 0.00 0.00 0.00 175.10 172.39 3it8 n ASN 230 N 5.95 0.00 0.00 3.32 2.85 -1.26 -1.58 115.26 124.54 3it8 n ASN 230 Ca 0.09 0.41 0.08 0.00 -0.11 0.00 0.00 54.58 55.04 3it8 n ASN 230 Cb 0.47 -0.02 0.46 0.00 1.24 0.00 0.00 39.78 41.93 3it8 n ASN 230 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3it8 n GLY 231 N -0.89 -0.60 3.79 8.20 0.00 -1.26 -4.85 105.19 109.59 3it8 n GLY 231 Ca 0.00 -0.10 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 3it8 n GLY 231 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3it8 s ARG 232 N -2.00 3.88 0.17 1.61 3.52 -0.61 -5.03 118.95 120.49 3it8 s ARG 232 Ca 0.23 1.40 -0.21 0.00 -0.13 0.00 0.00 55.73 57.03 3it8 s ARG 232 Cb 0.11 -2.20 -0.08 0.00 -1.56 0.00 0.00 34.95 31.22 3it8 s ARG 232 CO 0.18 -0.37 0.69 -0.47 -0.81 0.00 0.00 175.30 174.52 3it8 s TYR 233 N -1.90 3.75 -0.11 5.12 5.04 -1.26 -4.95 117.35 123.05 3it8 s TYR 233 Ca 0.65 1.40 -0.05 0.00 -2.44 0.00 0.00 57.07 56.64 3it8 s TYR 233 Cb -0.18 -2.61 0.05 0.00 0.35 0.00 0.00 41.96 39.57 3it8 s TYR 233 CO 0.22 0.45 0.24 0.71 -1.34 0.00 0.00 175.55 175.82 3it8 s TYR 234 N -1.33 -0.34 0.46 4.97 1.51 -1.26 -5.12 117.35 116.24 3it8 s TYR 234 Ca 0.38 0.82 -0.23 0.00 -1.01 0.00 0.00 57.07 57.02 3it8 s TYR 234 Cb -0.19 -0.03 -0.07 0.00 -0.11 0.00 0.00 41.96 41.56 3it8 s TYR 234 CO 0.22 -0.28 1.22 -2.14 -1.11 0.00 0.00 175.55 173.45 3it8 s PRO 235 N 1.83 3.72 -0.04 -1.71 0.02 -1.26 -4.97 135.00 132.59 3it8 s PRO 235 Ca -0.04 1.91 0.07 0.00 0.02 0.00 0.00 61.00 62.96 3it8 s PRO 235 Cb -0.11 -2.47 0.11 0.00 0.02 0.00 0.00 34.50 32.05 3it8 s PRO 235 CO -0.08 -0.62 1.06 -0.85 -0.33 0.00 0.00 177.00 176.18 3it8 n GLU 236 N -0.41 0.39 -3.37 5.54 0.28 -1.26 -4.66 120.64 117.13 3it8 n GLU 236 Ca 0.07 -1.54 -0.11 0.00 -0.16 0.00 0.00 57.16 55.42 3it8 n GLU 236 Cb 0.47 -0.77 0.00 0.00 1.43 0.00 0.00 31.44 32.57 3it8 n GLU 236 CO 0.00 0.00 0.00 0.91 -0.16 0.00 0.00 177.13 177.88 3it8 n TRP 237 N -0.39 -2.60 -1.25 -1.84 5.03 -1.25 -4.03 117.44 111.11 3it8 n TRP 237 Ca 0.05 1.02 -0.33 0.00 3.03 0.00 0.00 57.50 61.27 3it8 n TRP 237 Cb 0.71 -3.51 0.11 0.00 -1.03 0.00 0.00 31.31 27.59 3it8 n TRP 237 CO 0.00 0.00 0.00 0.20 -0.03 0.00 0.00 177.69 177.86 3it8 s GLY 238 N -2.96 2.16 0.54 6.99 0.00 -1.26 -4.69 107.32 108.10 3it8 s GLY 238 Ca 0.01 0.78 0.00 0.00 0.00 0.00 0.00 44.72 45.52 3it8 s GLY 238 CO 0.81 1.19 0.78 0.50 0.00 0.00 0.00 173.10 176.38 3it8 s ARG 239 N -4.14 2.65 -0.27 2.90 1.81 -1.26 -5.08 118.95 115.57 3it8 s ARG 239 Ca 0.72 -0.64 -0.04 0.00 -1.72 0.00 0.00 55.73 54.05 3it8 s ARG 239 Cb -0.27 -2.47 0.01 0.00 -0.45 0.00 0.00 34.95 31.77 3it8 s ARG 239 CO 0.49 -0.65 0.01 0.21 -0.68 0.00 0.00 175.30 174.68 3it8 s LYS 240 N -4.76 3.05 0.02 3.54 2.20 -1.26 -5.07 119.74 117.46 3it8 s LYS 240 Ca 0.55 -0.86 -0.27 0.00 -0.36 0.00 0.00 55.97 55.03 3it8 s LYS 240 Cb -0.10 -3.18 0.09 0.00 -1.51 0.00 0.00 37.83 33.13 3it8 s LYS 240 CO 0.39 -0.39 0.79 0.45 -0.36 0.00 0.00 175.35 176.24 3it8 s SER 241 N 1.44 -0.46 0.39 1.43 0.15 -1.26 -5.01 113.70 110.37 3it8 s SER 241 Ca 0.02 0.12 0.26 0.00 0.70 0.00 0.00 55.95 57.06 3it8 s SER 241 Cb -0.17 0.46 0.80 0.00 -1.71 0.00 0.00 66.02 65.40 3it8 s SER 241 CO -0.01 -0.69 1.76 0.78 1.20 0.00 0.00 173.24 176.27 3it8 h ASN 242 N 2.17 0.00 -2.66 5.45 2.35 -1.96 -3.44 115.58 117.49 3it8 h ASN 242 Ca -0.26 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 54.97 3it8 h ASN 242 Cb 1.24 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.59 3it8 h ASN 242 CO 0.34 0.00 -0.39 -0.31 -1.65 0.00 0.00 177.43 175.42 3it8 s TYR 243 N -3.31 3.48 -0.11 1.19 1.51 -1.26 -4.91 117.35 113.94 3it8 s TYR 243 Ca 0.06 0.22 -0.04 0.00 -1.01 0.00 0.00 57.07 56.29 3it8 s TYR 243 Cb 0.08 -1.75 -0.04 0.00 -0.11 0.00 0.00 41.96 40.14 3it8 s TYR 243 CO 0.58 0.42 0.07 -1.21 -1.11 0.00 0.00 175.55 174.30 3it8 s GLU 244 N -3.42 3.24 0.19 -0.62 2.02 -1.26 -4.90 118.70 113.95 3it8 s GLU 244 Ca 0.37 -0.28 -0.33 0.00 0.02 0.00 0.00 54.97 54.75 3it8 s GLU 244 Cb -0.11 -2.99 -0.15 0.00 0.10 0.00 0.00 34.13 30.98 3it8 s GLU 244 CO 0.29 0.72 1.33 -0.35 0.02 0.00 0.00 175.26 177.26 3it8 n PRO 245 N 2.14 1.61 0.00 0.39 -0.04 -1.26 -1.52 135.00 136.31 3it8 n PRO 245 Ca -0.19 0.57 0.00 0.00 -0.04 0.00 0.00 63.50 63.84 3it8 n PRO 245 Cb 0.54 -2.18 0.00 0.00 -0.04 0.00 0.00 33.50 31.82 3it8 n PRO 245 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3it8 n GLY 246 N 2.30 3.07 3.74 0.55 0.00 -1.26 -5.07 105.19 108.52 3it8 n GLY 246 Ca 0.14 -1.13 -0.41 0.00 0.00 0.00 0.00 46.02 44.63 3it8 n GLY 246 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3it8 s GLU 247 N 0.00 4.52 0.60 1.61 2.02 -0.58 -4.89 118.70 121.98 3it8 s GLU 247 Ca 0.00 1.88 0.31 0.00 0.02 0.00 0.00 54.97 57.18 3it8 s GLU 247 Cb 0.00 -3.22 1.70 0.00 0.10 0.00 0.00 34.13 32.71 3it8 s GLU 247 CO 0.00 -0.02 1.95 -1.00 0.02 0.00 0.00 175.26 176.20 3it8 h PRO 248 N 4.80 0.00 0.00 0.39 0.13 -1.98 -0.70 132.00 134.63 3it8 h PRO 248 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3it8 h PRO 248 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3it8 h PRO 248 CO 0.72 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.90 3it8 n GLY 249 N -1.20 -1.14 3.72 1.56 0.00 -1.26 -4.81 105.19 102.05 3it8 n GLY 249 Ca -0.02 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 3it8 n GLY 249 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3it8 s PHE 250 N -2.69 3.30 -0.58 1.61 5.36 -0.27 -4.83 117.98 119.88 3it8 s PHE 250 Ca 0.19 1.08 -0.27 0.00 -0.96 0.00 0.00 56.93 56.98 3it8 s PHE 250 Cb 0.16 -3.60 -0.02 0.00 -0.34 0.00 0.00 43.02 39.22 3it8 s PHE 250 CO 0.38 -2.03 1.85 -2.14 -1.46 0.00 0.00 175.22 171.82 3it8 s PRO 251 N 0.93 2.71 -0.10 10.12 0.02 -1.26 -4.98 135.00 142.43 3it8 s PRO 251 Ca 0.62 0.70 0.04 0.00 0.02 0.00 0.00 61.00 62.37 3it8 s PRO 251 Cb -0.35 -4.36 -0.00 0.00 0.02 0.00 0.00 34.50 29.81 3it8 s PRO 251 CO 0.31 -2.63 -0.23 -1.58 -0.33 0.00 0.00 177.00 172.54 3it8 s TRP 252 N 8.82 2.58 -1.30 6.54 0.52 -1.26 -5.03 118.94 129.81 3it8 s TRP 252 Ca 0.68 -1.01 -0.17 0.00 0.02 0.00 0.00 56.10 55.62 3it8 s TRP 252 Cb -0.14 -1.72 0.02 0.00 -1.15 0.00 0.00 33.47 30.48 3it8 s TRP 252 CO 0.22 -0.40 1.99 -1.71 0.02 0.00 0.00 176.95 177.07 3it8 n ASN 253 N 3.52 4.02 -4.58 2.95 2.85 -1.26 -4.90 115.26 117.86 3it8 n ASN 253 Ca -0.19 -2.84 -0.33 0.00 -0.11 0.00 0.00 54.58 51.11 3it8 n ASN 253 Cb 0.53 -1.63 -0.11 0.00 1.24 0.00 0.00 39.78 39.80 3it8 n ASN 253 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 3it8 s ILE 254 N 4.48 3.63 -0.01 -1.44 1.01 -1.26 -1.93 121.20 125.68 3it8 s ILE 254 Ca 0.53 -0.62 -0.02 0.00 0.00 0.00 0.00 60.65 60.53 3it8 s ILE 254 Cb 0.09 -2.52 0.00 0.00 0.01 0.00 0.00 42.46 40.05 3it8 s ILE 254 CO 0.02 0.51 0.05 -0.54 0.00 0.00 0.00 174.94 174.97 3it8 s LYS 255 N -1.06 0.09 -0.40 2.79 1.02 -0.50 -4.99 119.74 116.68 3it8 s LYS 255 Ca 0.14 -0.00 -0.29 0.00 0.02 0.00 0.00 55.97 55.84 3it8 s LYS 255 Cb -0.11 0.04 0.01 0.00 -0.52 0.00 0.00 37.83 37.25 3it8 s LYS 255 CO 0.04 -0.01 1.36 0.21 -0.92 0.00 0.00 175.35 176.02 3it8 s LYS 256 N -0.14 3.65 0.92 1.68 2.20 -1.26 -1.34 119.74 125.43 3it8 s LYS 256 Ca -0.02 0.93 -0.11 0.00 -0.36 0.00 0.00 55.97 56.42 3it8 s LYS 256 Cb -0.01 -3.99 0.14 0.00 -1.51 0.00 0.00 37.83 32.46 3it8 s LYS 256 CO 0.00 -1.47 1.11 0.16 -0.36 0.00 0.00 175.35 174.78 3it8 s ASP 257 N 3.56 3.08 0.10 1.43 1.47 -1.16 -4.91 116.67 120.23 3it8 s ASP 257 Ca 0.59 1.87 -0.03 0.00 1.18 0.00 0.00 52.55 56.16 3it8 s ASP 257 Cb -0.13 -2.44 -0.02 0.00 -0.34 0.00 0.00 42.92 39.98 3it8 s ASP 257 CO 0.31 -2.95 -0.04 2.29 0.68 0.00 0.00 175.17 175.46 3it8 n LYS 258 N -4.11 0.00 0.00 2.11 0.00 -1.26 -3.80 118.16 111.09 3it8 n LYS 258 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.40 3it8 n LYS 258 Cb 0.53 -0.16 0.00 0.00 -0.00 0.00 0.00 35.03 35.40 3it8 n LYS 258 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3it8 n ASP 259 N 0.44 0.00 -3.62 -5.58 8.00 -1.26 -4.74 116.55 109.79 3it8 n ASP 259 Ca 0.01 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.49 3it8 n ASP 259 Cb 0.08 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.18 3it8 n ASP 259 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3it8 s ALA 260 N 0.00 -1.81 -0.63 2.24 0.00 -1.25 -5.04 121.76 115.28 3it8 s ALA 260 Ca 0.00 0.12 0.23 0.00 0.00 0.00 0.00 51.96 52.32 3it8 s ALA 260 Cb 0.00 0.62 0.19 0.00 0.00 0.00 0.00 23.12 23.93 3it8 s ALA 260 CO 0.00 -1.06 1.16 0.09 0.00 0.00 0.00 175.76 175.95 3it8 n ASN 261 N -0.71 0.65 -4.86 0.00 3.02 -1.26 -4.86 115.26 107.24 3it8 n ASN 261 Ca -0.05 -0.06 -0.30 0.00 -0.03 0.00 0.00 54.58 54.14 3it8 n ASN 261 Cb 0.61 0.50 0.07 0.00 -0.61 0.00 0.00 39.78 40.35 3it8 n ASN 261 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 3it8 s THR 262 N -3.18 3.16 0.23 3.41 -1.32 -1.26 -4.88 115.64 111.80 3it8 s THR 262 Ca 0.05 0.38 0.05 0.00 -1.21 0.00 0.00 61.69 60.96 3it8 s THR 262 Cb 0.14 -3.29 -0.05 0.00 -1.51 0.00 0.00 72.50 67.79 3it8 s THR 262 CO 0.76 -0.49 -0.06 -0.31 -2.21 0.00 0.00 174.62 172.31 3it8 s TYR 263 N -3.32 1.65 0.06 9.09 1.51 -0.39 -3.00 117.35 122.96 3it8 s TYR 263 Ca 0.60 -0.78 0.03 0.00 -1.01 0.00 0.00 57.07 55.90 3it8 s TYR 263 Cb -0.12 -0.91 -0.03 0.00 -0.11 0.00 0.00 41.96 40.79 3it8 s TYR 263 CO 0.52 0.13 -0.09 -1.12 -1.11 0.00 0.00 175.55 173.89 3it8 s SER 264 N -3.32 1.06 0.04 2.29 0.01 -0.45 -0.57 113.70 112.75 3it8 s SER 264 Ca 0.26 -0.66 0.01 0.00 1.31 0.00 0.00 55.95 56.87 3it8 s SER 264 Cb 0.04 0.03 -0.03 0.00 0.21 0.00 0.00 66.02 66.27 3it8 s SER 264 CO 0.08 -0.24 -0.06 -0.22 0.41 0.00 0.00 173.24 173.21 3it8 s LEU 265 N -1.94 2.30 -0.11 2.44 2.96 0.16 -1.42 118.68 123.09 3it8 s LEU 265 Ca -0.04 -0.63 -0.03 0.00 -0.22 0.00 0.00 54.13 53.21 3it8 s LEU 265 Cb -0.07 -0.05 0.04 0.00 0.50 0.00 0.00 46.19 46.62 3it8 s LEU 265 CO -0.00 -0.30 0.07 -0.89 -1.32 0.00 0.00 176.35 173.91 3it8 s THR 266 N -1.88 -0.06 -0.16 3.68 2.01 -0.81 -1.10 115.64 117.31 3it8 s THR 266 Ca -0.08 0.12 -0.00 0.00 0.31 0.00 0.00 61.69 62.04 3it8 s THR 266 Cb -0.07 -0.39 -0.00 0.00 0.01 0.00 0.00 72.50 72.05 3it8 s THR 266 CO -0.01 -0.04 -0.14 -0.62 -0.69 0.00 0.00 174.62 173.11 3it8 s ASP 267 N 2.14 3.71 0.16 3.53 2.15 0.12 -4.25 116.67 124.23 3it8 s ASP 267 Ca 0.03 -0.46 0.05 0.00 0.43 0.00 0.00 52.55 52.60 3it8 s ASP 267 Cb -0.14 -1.58 -0.04 0.00 -0.30 0.00 0.00 42.92 40.87 3it8 s ASP 267 CO -0.06 0.08 0.15 -0.22 -0.17 0.00 0.00 175.17 174.94 3it8 s LEU 268 N 0.86 3.85 -0.07 -1.34 2.96 -1.26 -0.04 118.68 123.64 3it8 s LEU 268 Ca -0.04 -0.10 -0.05 0.00 -0.22 0.00 0.00 54.13 53.72 3it8 s LEU 268 Cb -0.15 -2.46 0.03 0.00 0.50 0.00 0.00 46.19 44.11 3it8 s LEU 268 CO -0.01 0.07 0.17 -0.69 -1.32 0.00 0.00 176.35 174.58 3it8 s VAL 269 N -1.73 -0.02 -0.70 1.68 1.01 0.85 -4.98 120.40 116.50 3it8 s VAL 269 Ca 0.31 0.08 -0.26 0.00 0.00 0.00 0.00 61.98 62.11 3it8 s VAL 269 Cb -0.10 -0.26 0.04 0.00 0.00 0.00 0.00 36.38 36.06 3it8 s VAL 269 CO 0.24 0.03 1.18 -0.60 0.00 0.00 0.00 175.10 175.95 3it8 s ARG 270 N 0.62 3.20 -0.94 2.72 3.00 -1.26 -1.37 118.95 124.91 3it8 s ARG 270 Ca -0.04 -0.35 -0.13 0.00 -1.00 0.00 0.00 55.73 54.21 3it8 s ARG 270 Cb -0.06 -4.18 -0.09 0.00 0.00 0.00 0.00 34.95 30.63 3it8 s ARG 270 CO -0.03 -2.01 2.09 2.41 0.00 0.00 0.00 175.30 177.76 3it8 n THR 271 N 6.28 2.37 -1.09 4.11 -1.04 -0.18 -4.93 114.28 119.82 3it8 n THR 271 Ca 0.02 -1.68 -0.32 0.00 -2.04 0.00 0.00 64.05 60.03 3it8 n THR 271 Cb 0.48 -2.27 0.12 0.00 -1.82 0.00 0.00 70.33 66.84 3it8 n THR 271 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 3it8 s THR 272 N 3.94 2.57 -1.95 12.58 2.01 -1.26 -4.06 115.64 129.47 3it8 s THR 272 Ca 0.49 0.21 0.21 0.00 0.31 0.00 0.00 61.69 62.91 3it8 s THR 272 Cb 0.13 -2.51 0.58 0.00 0.01 0.00 0.00 72.50 70.71 3it8 s THR 272 CO 0.02 -0.22 1.65 -0.24 -0.69 0.00 0.00 174.62 175.15 3it8 n SER 273 N -3.59 0.00 -0.37 3.53 2.88 -1.26 -3.62 113.62 111.19 3it8 n SER 273 Ca 0.11 -0.61 0.02 0.00 -1.33 0.00 0.00 58.87 57.07 3it8 n SER 273 Cb 0.52 -0.03 0.17 0.00 -0.75 0.00 0.00 64.21 64.12 3it8 n SER 273 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 3it8 h LYS 274 N 0.00 1.17 0.00 -1.46 1.57 -1.97 -3.43 116.57 112.45 3it8 h LYS 274 Ca 0.00 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3it8 h LYS 274 Cb 0.02 -0.27 0.00 0.00 0.08 0.00 0.00 32.23 32.06 3it8 h LYS 274 CO 0.00 0.78 0.00 0.00 -0.57 0.00 0.00 179.45 179.66 3it8 n MET 275 N -4.48 0.61 -1.03 3.15 0.00 -1.24 -5.05 117.12 109.08 3it8 n MET 275 Ca 0.15 0.00 -0.03 0.00 0.00 0.00 0.00 57.70 57.82 3it8 n MET 275 Cb 0.16 0.00 -0.01 0.00 0.00 0.00 0.00 33.22 33.36 3it8 n MET 275 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 3it8 n SER 276 N -0.48 -0.55 0.00 3.17 3.41 -1.26 -4.98 113.62 112.93 3it8 n SER 276 Ca 0.00 -1.12 0.00 0.00 -0.26 0.00 0.00 58.87 57.49 3it8 n SER 276 Cb 0.00 0.19 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 3it8 n SER 276 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3it8 n SER 277 N -0.17 0.00 -1.95 4.04 7.64 -1.26 -4.94 113.62 116.99 3it8 n SER 277 Ca -0.13 -0.04 0.00 0.00 1.01 0.00 0.00 58.87 59.72 3it8 n SER 277 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 3it8 n SER 277 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 3it8 n GLN 278 N 0.00 -3.81 -0.82 1.43 7.27 -1.26 -3.94 117.38 116.25 3it8 n GLN 278 Ca 0.00 2.89 -0.32 0.00 0.07 0.00 0.00 57.00 59.64 3it8 n GLN 278 Cb 0.01 -3.53 0.15 0.00 2.41 0.00 0.00 30.24 29.27 3it8 n GLN 278 CO 0.00 0.00 0.00 -0.35 0.07 0.00 0.00 177.06 176.78 3it8 n PRO 279 N 1.33 -0.26 -4.36 3.69 -0.04 -1.26 -2.99 135.00 131.12 3it8 n PRO 279 Ca 0.00 -0.01 -0.27 0.00 -0.04 0.00 0.00 63.50 63.18 3it8 n PRO 279 Cb 0.00 -2.26 -0.13 0.00 -0.04 0.00 0.00 33.50 31.08 3it8 n PRO 279 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3it8 s VAL 280 N -2.44 2.09 -0.22 0.52 0.11 0.72 -4.78 120.40 116.39 3it8 s VAL 280 Ca 0.66 -1.70 -0.17 0.00 -2.93 0.00 0.00 61.98 57.84 3it8 s VAL 280 Cb -0.24 -1.87 -0.03 0.00 -1.53 0.00 0.00 36.38 32.70 3it8 s VAL 280 CO 0.58 0.04 0.45 0.00 -3.33 0.00 0.00 175.10 172.85 3it8 s VAL 282 N 1.74 4.14 -0.25 0.00 1.01 0.38 0.39 120.40 127.81 3it8 s VAL 282 Ca 0.20 -0.41 -0.09 0.00 0.00 0.00 0.00 61.98 61.68 3it8 s VAL 282 Cb -0.15 -3.02 -0.04 0.00 0.00 0.00 0.00 36.38 33.16 3it8 s VAL 282 CO 0.09 0.23 0.13 -0.69 0.00 0.00 0.00 175.10 174.85 3it8 s VAL 283 N 1.56 4.95 -0.26 2.92 1.01 0.07 -0.88 120.40 129.77 3it8 s VAL 283 Ca 0.05 0.04 -0.08 0.00 0.00 0.00 0.00 61.98 61.99 3it8 s VAL 283 Cb -0.16 -3.31 -0.03 0.00 0.00 0.00 0.00 36.38 32.88 3it8 s VAL 283 CO 0.03 0.33 0.10 -0.36 0.00 0.00 0.00 175.10 175.20 3it8 s PHE 284 N 1.33 3.12 0.11 5.22 0.40 0.52 -2.27 117.98 126.40 3it8 s PHE 284 Ca 0.06 -0.34 -0.17 0.00 -0.60 0.00 0.00 56.93 55.88 3it8 s PHE 284 Cb -0.15 -2.28 0.04 0.00 0.51 0.00 0.00 43.02 41.15 3it8 s PHE 284 CO 0.06 -0.33 0.42 -1.58 0.70 0.00 0.00 175.22 174.48 3it8 s HIS 285 N 1.64 -0.25 0.19 0.36 2.46 -1.25 -2.10 115.29 116.33 3it8 s HIS 285 Ca 0.06 -0.00 -0.13 0.00 0.47 0.00 0.00 55.06 55.46 3it8 s HIS 285 Cb -0.15 0.27 0.19 0.00 -0.13 0.00 0.00 32.58 32.76 3it8 s HIS 285 CO 0.05 -0.69 1.71 -0.44 -2.47 0.00 0.00 174.74 172.90 3it8 h ASP 286 N 2.47 -0.06 -3.93 9.88 5.19 -1.87 -3.28 116.42 124.82 3it8 h ASP 286 Ca -0.33 0.10 -0.46 0.00 -0.62 0.00 0.00 57.03 55.71 3it8 h ASP 286 Cb 1.25 0.15 -0.02 0.00 0.18 0.00 0.00 39.33 40.89 3it8 h ASP 286 CO 0.45 -0.00 0.34 0.42 -3.12 0.00 0.00 179.24 177.34 3it8 s THR 287 N -6.15 4.25 -0.55 0.35 -4.23 -1.26 -4.16 115.64 103.90 3it8 s THR 287 Ca -0.13 1.74 -0.17 0.00 -1.18 0.00 0.00 61.69 61.95 3it8 s THR 287 Cb 0.16 -3.90 0.02 0.00 1.34 0.00 0.00 72.50 70.11 3it8 s THR 287 CO 0.72 0.02 0.64 0.00 -0.54 0.00 0.00 174.62 175.47 3it8 n LEU 288 N 0.25 -5.68 -0.16 4.79 -0.00 -1.26 -4.77 117.00 110.17 3it8 n LEU 288 Ca 0.03 0.06 0.09 0.00 -0.00 0.00 0.00 56.01 56.20 3it8 n LEU 288 Cb 0.51 -2.74 0.17 0.00 -0.00 0.00 0.00 43.42 41.36 3it8 n LEU 288 CO 0.42 -1.21 0.40 -0.62 -0.00 0.00 0.00 177.39 176.38 3it8 n GLU 289 N -0.85 -0.03 -3.15 1.47 1.02 -1.24 -3.91 120.64 113.95 3it8 n GLU 289 Ca -0.01 0.68 0.05 0.00 -0.02 0.00 0.00 57.16 57.87 3it8 n GLU 289 Cb 0.55 -1.12 -0.01 0.00 -0.02 0.00 0.00 31.44 30.84 3it8 n GLU 289 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3it8 s ALA 290 N -5.15 -3.56 0.09 0.62 0.00 -1.26 -2.37 121.76 110.13 3it8 s ALA 290 Ca -0.06 1.40 0.06 0.00 0.00 0.00 0.00 51.96 53.36 3it8 s ALA 290 Cb 0.14 -2.60 -0.04 0.00 0.00 0.00 0.00 23.12 20.62 3it8 s ALA 290 CO 0.36 -1.67 -0.06 -0.65 0.00 0.00 0.00 175.76 173.75 3it8 s GLN 291 N 2.95 2.33 -0.08 0.00 -0.21 -0.96 -4.52 119.66 119.16 3it8 s GLN 291 Ca 0.09 -0.93 -0.03 0.00 0.02 0.00 0.00 55.36 54.51 3it8 s GLN 291 Cb -0.08 -2.41 -0.04 0.00 1.00 0.00 0.00 33.01 31.48 3it8 s GLN 291 CO -0.15 0.53 0.06 0.08 -2.12 0.00 0.00 175.29 173.69 3it8 s VAL 292 N -1.24 4.79 -0.01 1.09 1.01 -1.26 -0.75 120.40 124.03 3it8 s VAL 292 Ca 0.23 -0.13 0.02 0.00 0.00 0.00 0.00 61.98 62.09 3it8 s VAL 292 Cb -0.11 -3.08 0.00 0.00 0.00 0.00 0.00 36.38 33.19 3it8 s VAL 292 CO 0.15 0.56 -0.06 -0.31 0.00 0.00 0.00 175.10 175.44 3it8 s TYR 293 N -1.00 0.61 0.00 5.22 1.51 0.16 -4.99 117.35 118.86 3it8 s TYR 293 Ca 0.16 -0.12 0.00 0.00 -1.01 0.00 0.00 57.07 56.09 3it8 s TYR 293 Cb -0.12 -0.43 0.00 0.00 -0.11 0.00 0.00 41.96 41.30 3it8 s TYR 293 CO 0.05 -0.05 0.00 0.25 -1.11 0.00 0.00 175.55 174.70 3it8 n THR 294 N 3.16 0.00 -1.45 -0.71 -2.24 -1.26 -0.16 114.28 111.62 3it8 n THR 294 Ca -0.16 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 3it8 n THR 294 Cb 0.56 -0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 3it8 n THR 294 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3it8 n SER 296 N -0.99 0.57 0.00 0.00 7.64 -1.26 -4.37 113.62 115.21 3it8 n SER 296 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3it8 n SER 296 Cb 0.02 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 3it8 n SER 296 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3it8 n GLU 297 N 0.00 0.00 0.00 1.43 4.71 -1.23 0.13 120.64 125.69 3it8 n GLU 297 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 3it8 n GLU 297 Cb 0.00 -1.19 0.00 0.00 -1.01 0.00 0.00 31.44 29.24 3it8 n GLU 297 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3it8 n GLY 298 N 0.00 -0.16 3.86 0.62 0.00 -1.25 -4.62 105.19 103.64 3it8 n GLY 298 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3it8 n GLY 298 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32