#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2xb2 s PHE 5 N 0.00 -0.50 -0.28 2.11 5.36 -1.26 -4.40 117.98 119.01 2xb2 s PHE 5 Ca 0.00 0.81 -0.20 0.00 -0.96 0.00 0.00 56.93 56.58 2xb2 s PHE 5 Cb 0.00 0.44 0.08 0.00 -0.34 0.00 0.00 43.02 43.20 2xb2 s PHE 5 CO 0.00 -0.49 0.70 -0.47 -1.46 0.00 0.00 175.22 173.50 2xb2 s TYR 6 N -1.37 -0.94 -0.02 10.12 5.04 -1.19 -2.09 117.35 126.91 2xb2 s TYR 6 Ca -0.05 2.04 -0.01 0.00 -2.44 0.00 0.00 57.07 56.60 2xb2 s TYR 6 Cb -0.00 0.47 0.00 0.00 0.35 0.00 0.00 41.96 42.78 2xb2 s TYR 6 CO 0.04 -0.46 0.04 -1.17 -1.34 0.00 0.00 175.55 172.66 2xb2 s LEU 7 N 1.05 1.84 -0.09 6.97 2.96 -0.90 -0.14 118.68 130.36 2xb2 s LEU 7 Ca -0.05 0.08 -0.09 0.00 -0.22 0.00 0.00 54.13 53.85 2xb2 s LEU 7 Cb -0.05 0.14 0.02 0.00 0.50 0.00 0.00 46.19 46.81 2xb2 s LEU 7 CO -0.10 -0.02 0.25 -0.60 -1.32 0.00 0.00 176.35 174.56 2xb2 s ARG 8 N 0.02 0.32 -0.00 1.98 3.52 -0.09 0.67 118.95 125.37 2xb2 s ARG 8 Ca -0.00 0.29 -0.00 0.00 -0.13 0.00 0.00 55.73 55.88 2xb2 s ARG 8 Cb -0.00 0.15 -0.00 0.00 -1.56 0.00 0.00 34.95 33.54 2xb2 s ARG 8 CO 0.00 -0.05 0.00 -0.47 -0.81 0.00 0.00 175.30 173.98 2xb2 s TYR 9 N -0.01 0.02 -0.02 5.12 5.04 -0.59 -1.27 117.35 125.64 2xb2 s TYR 9 Ca -0.01 -0.04 -0.06 0.00 -2.44 0.00 0.00 57.07 54.52 2xb2 s TYR 9 Cb -0.02 -0.02 0.00 0.00 0.35 0.00 0.00 41.96 42.28 2xb2 s TYR 9 CO 0.01 -0.02 0.13 -0.47 -1.34 0.00 0.00 175.55 173.85 2xb2 s TYR 10 N -0.15 -0.01 -0.22 4.97 5.04 -0.78 -1.78 117.35 124.41 2xb2 s TYR 10 Ca -0.02 0.02 -0.10 0.00 -2.44 0.00 0.00 57.07 54.54 2xb2 s TYR 10 Cb -0.01 -0.02 0.09 0.00 0.35 0.00 0.00 41.96 42.36 2xb2 s TYR 10 CO -0.00 -0.20 0.51 0.54 -1.34 0.00 0.00 175.55 175.06 2xb2 s VAL 11 N -0.86 -0.40 0.07 3.14 0.11 -0.35 -1.12 120.40 120.99 2xb2 s VAL 11 Ca -0.09 0.08 -0.05 0.00 -2.93 0.00 0.00 61.98 58.99 2xb2 s VAL 11 Cb -0.05 -0.78 0.02 0.00 -1.53 0.00 0.00 36.38 34.04 2xb2 s VAL 11 CO 0.01 0.03 0.26 0.61 -3.33 0.00 0.00 175.10 172.68 2xb2 n GLY 12 N 4.86 1.31 3.83 6.54 0.00 -0.86 -0.54 105.19 120.34 2xb2 n GLY 12 Ca -0.16 -1.01 -0.07 0.00 0.00 0.00 0.00 46.02 44.78 2xb2 n GLY 12 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2xb2 s HIS 13 N -5.68 0.13 -0.26 1.61 -3.43 -0.12 -1.23 115.29 106.32 2xb2 s HIS 13 Ca 0.06 -0.74 -0.03 0.00 -0.80 0.00 0.00 55.06 53.54 2xb2 s HIS 13 Cb -0.01 0.81 0.09 0.00 -1.43 0.00 0.00 32.58 32.04 2xb2 s HIS 13 CO 0.02 -1.41 0.09 0.15 -2.00 0.00 0.00 174.74 171.59 2xb2 s LYS 14 N -2.15 0.42 0.00 -0.38 1.02 -1.26 -2.07 119.74 115.31 2xb2 s LYS 14 Ca 0.18 -0.59 0.00 0.00 0.02 0.00 0.00 55.97 55.58 2xb2 s LYS 14 Cb -0.04 -1.69 0.00 0.00 -0.52 0.00 0.00 37.83 35.57 2xb2 s LYS 14 CO 0.10 -0.88 0.00 0.41 -0.92 0.00 0.00 175.35 174.06 2xb2 n GLY 15 N 5.10 6.03 0.00 -3.33 0.00 -0.94 -4.98 105.19 107.06 2xb2 n GLY 15 Ca -0.06 -1.65 0.02 0.00 0.00 0.00 0.00 46.02 44.33 2xb2 n GLY 15 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2xb2 n LYS 16 N 0.00 0.44 -0.34 1.61 2.85 -1.26 -1.88 118.16 119.57 2xb2 n LYS 16 Ca 0.00 0.00 0.07 0.00 -1.05 0.00 0.00 58.31 57.33 2xb2 n LYS 16 Cb 0.00 -1.14 0.12 0.00 -0.65 0.00 0.00 35.03 33.36 2xb2 n LYS 16 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 2xb2 n PHE 17 N -0.64 0.00 -2.85 5.58 3.72 -1.26 -4.99 117.46 117.02 2xb2 n PHE 17 Ca 0.03 -0.87 0.00 0.00 -0.05 0.00 0.00 57.45 56.56 2xb2 n PHE 17 Cb 0.01 -0.15 0.00 0.00 -0.94 0.00 0.00 39.48 38.40 2xb2 n PHE 17 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2xb2 n GLY 18 N -0.98 -1.65 3.44 1.37 0.00 -0.79 -2.63 105.19 103.95 2xb2 n GLY 18 Ca 0.13 -1.52 -0.44 0.00 0.00 0.00 0.00 46.02 44.19 2xb2 n GLY 18 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2xb2 s HIS 19 N 0.00 3.20 -0.12 1.61 5.65 -1.26 -2.22 115.29 122.14 2xb2 s HIS 19 Ca 0.00 -1.49 -0.24 0.00 0.25 0.00 0.00 55.06 53.58 2xb2 s HIS 19 Cb 0.00 -4.25 -0.03 0.00 -1.18 0.00 0.00 32.58 27.13 2xb2 s HIS 19 CO 0.00 -1.44 0.74 -1.21 -0.65 0.00 0.00 174.74 172.18 2xb2 s GLU 20 N 2.41 4.35 0.13 2.88 2.02 -0.88 -4.52 118.70 125.10 2xb2 s GLU 20 Ca 0.32 0.90 -0.20 0.00 0.02 0.00 0.00 54.97 56.02 2xb2 s GLU 20 Cb -0.05 -3.51 0.05 0.00 0.10 0.00 0.00 34.13 30.72 2xb2 s GLU 20 CO -0.09 -0.13 0.49 -0.59 0.02 0.00 0.00 175.26 174.97 2xb2 s PHE 21 N 1.47 -0.36 -0.08 1.61 -0.12 -0.61 -0.94 117.98 118.95 2xb2 s PHE 21 Ca 0.37 0.13 0.03 0.00 -0.05 0.00 0.00 56.93 57.40 2xb2 s PHE 21 Cb -0.17 0.39 0.01 0.00 -0.63 0.00 0.00 43.02 42.62 2xb2 s PHE 21 CO 0.15 -0.75 -0.15 -1.17 -0.05 0.00 0.00 175.22 173.24 2xb2 s LEU 22 N -2.69 1.75 -0.17 -1.99 1.98 0.30 -1.19 118.68 116.67 2xb2 s LEU 22 Ca 0.01 -0.37 -0.14 0.00 -2.89 0.00 0.00 54.13 50.74 2xb2 s LEU 22 Cb 0.00 -0.99 0.05 0.00 0.66 0.00 0.00 46.19 45.92 2xb2 s LEU 22 CO -0.11 0.06 0.45 -0.70 -1.89 0.00 0.00 176.35 174.16 2xb2 s GLU 23 N 0.62 0.49 0.01 1.98 2.12 -0.23 -1.21 118.70 122.48 2xb2 s GLU 23 Ca -0.15 0.70 0.00 0.00 0.36 0.00 0.00 54.97 55.89 2xb2 s GLU 23 Cb -0.16 0.17 -0.01 0.00 0.26 0.00 0.00 34.13 34.38 2xb2 s GLU 23 CO 0.05 -0.10 -0.02 -0.59 -0.54 0.00 0.00 175.26 174.06 2xb2 s PHE 24 N 0.65 0.21 -0.01 5.30 -0.12 -0.73 0.08 117.98 123.36 2xb2 s PHE 24 Ca -0.03 -0.27 0.04 0.00 -0.05 0.00 0.00 56.93 56.62 2xb2 s PHE 24 Cb -0.05 -0.14 -0.01 0.00 -0.63 0.00 0.00 43.02 42.19 2xb2 s PHE 24 CO -0.04 -0.09 -0.14 -2.00 -0.05 0.00 0.00 175.22 172.90 2xb2 s GLU 25 N -0.76 1.14 -0.48 1.99 2.12 0.12 -1.54 118.70 121.29 2xb2 s GLU 25 Ca -0.07 -0.50 0.02 0.00 0.36 0.00 0.00 54.97 54.77 2xb2 s GLU 25 Cb -0.05 -1.10 0.13 0.00 0.26 0.00 0.00 34.13 33.37 2xb2 s GLU 25 CO -0.00 0.30 0.24 -0.06 -0.54 0.00 0.00 175.26 175.19 2xb2 s PHE 26 N -0.32 3.43 0.77 5.30 0.08 0.21 -1.24 117.98 126.22 2xb2 s PHE 26 Ca 0.05 -2.94 -0.12 0.00 0.12 0.00 0.00 56.93 54.05 2xb2 s PHE 26 Cb -0.05 -2.98 0.06 0.00 -0.57 0.00 0.00 43.02 39.47 2xb2 s PHE 26 CO -0.00 -0.84 1.11 1.03 -0.10 0.00 0.00 175.22 176.41 2xb2 s ARG 27 N 0.24 2.14 0.43 0.44 0.52 -0.67 -2.13 118.95 119.92 2xb2 s ARG 27 Ca 0.14 1.32 0.09 0.00 -0.52 0.00 0.00 55.73 56.77 2xb2 s ARG 27 Cb -0.23 -1.87 0.95 0.00 0.52 0.00 0.00 34.95 34.32 2xb2 s ARG 27 CO -0.03 -1.76 2.07 -1.00 0.02 0.00 0.00 175.30 174.60 2xb2 h PRO 28 N -0.97 0.38 -0.19 3.54 0.13 -1.77 -1.67 132.00 131.45 2xb2 h PRO 28 Ca -0.44 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2xb2 h PRO 28 Cb 1.25 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2xb2 h PRO 28 CO 0.50 0.28 0.00 -0.40 -0.23 0.00 0.00 178.00 178.15 2xb2 n ASP 29 N -4.47 0.19 0.00 1.44 5.75 -1.26 -4.78 116.55 113.43 2xb2 n ASP 29 Ca 0.01 -1.59 0.00 0.00 -0.01 0.00 0.00 54.79 53.21 2xb2 n ASP 29 Cb 0.09 -0.10 0.00 0.00 -1.03 0.00 0.00 41.12 40.08 2xb2 n ASP 29 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2xb2 n GLY 30 N 0.25 0.50 3.62 6.12 0.00 -0.63 -4.91 105.19 110.13 2xb2 n GLY 30 Ca 0.00 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 2xb2 n GLY 30 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2xb2 s LYS 31 N -0.68 3.98 -0.26 1.61 2.20 -1.24 0.01 119.74 125.36 2xb2 s LYS 31 Ca 0.00 0.64 -0.14 0.00 -0.36 0.00 0.00 55.97 56.11 2xb2 s LYS 31 Cb 0.00 -3.73 -0.04 0.00 -1.51 0.00 0.00 37.83 32.55 2xb2 s LYS 31 CO 0.00 -0.69 0.32 -1.17 -0.36 0.00 0.00 175.35 173.45 2xb2 s LEU 32 N 3.00 4.05 -0.18 5.43 2.96 0.24 -1.67 118.68 132.51 2xb2 s LEU 32 Ca 0.33 0.23 0.01 0.00 -0.22 0.00 0.00 54.13 54.48 2xb2 s LEU 32 Cb -0.14 -2.34 0.02 0.00 0.50 0.00 0.00 46.19 44.22 2xb2 s LEU 32 CO 0.12 -0.13 -0.18 -0.13 -1.32 0.00 0.00 176.35 174.71 2xb2 s ARG 33 N 1.87 3.04 0.04 1.98 0.52 -0.37 -1.07 118.95 124.96 2xb2 s ARG 33 Ca 0.13 -0.81 0.08 0.00 -0.52 0.00 0.00 55.73 54.61 2xb2 s ARG 33 Cb -0.16 -2.60 -0.03 0.00 0.52 0.00 0.00 34.95 32.69 2xb2 s ARG 33 CO 0.10 -0.18 -0.24 -0.47 0.02 0.00 0.00 175.30 174.53 2xb2 s TYR 34 N 1.23 2.08 -0.23 -0.53 5.04 0.18 0.16 117.35 125.28 2xb2 s TYR 34 Ca 0.03 -0.39 -0.10 0.00 -2.44 0.00 0.00 57.07 54.17 2xb2 s TYR 34 Cb -0.14 -1.24 0.09 0.00 0.35 0.00 0.00 41.96 41.02 2xb2 s TYR 34 CO -0.10 0.11 0.52 0.00 -1.34 0.00 0.00 175.55 174.74 2xb2 s ALA 35 N -0.79 -1.48 -0.25 3.97 0.00 0.11 -0.85 121.76 122.46 2xb2 s ALA 35 Ca 0.10 1.89 0.01 0.00 0.00 0.00 0.00 51.96 53.95 2xb2 s ALA 35 Cb -0.09 -1.36 0.04 0.00 0.00 0.00 0.00 23.12 21.71 2xb2 s ALA 35 CO 0.02 -0.62 -0.09 1.21 0.00 0.00 0.00 175.76 176.28 2xb2 s ASN 36 N 2.23 4.33 0.04 0.00 3.84 -0.14 -1.07 114.94 124.16 2xb2 s ASN 36 Ca -0.06 -1.15 0.07 0.00 0.21 0.00 0.00 52.86 51.94 2xb2 s ASN 36 Cb -0.10 -1.60 -0.03 0.00 -0.55 0.00 0.00 41.25 38.97 2xb2 s ASN 36 CO -0.16 -0.16 -0.19 0.21 -2.79 0.00 0.00 177.10 174.01 2xb2 s ASN 37 N 1.21 3.74 -0.22 -4.21 2.47 -0.34 -0.86 114.94 116.74 2xb2 s ASN 37 Ca -0.04 -0.43 -0.28 0.00 0.42 0.00 0.00 52.86 52.53 2xb2 s ASN 37 Cb -0.18 -0.59 0.14 0.00 -1.45 0.00 0.00 41.25 39.17 2xb2 s ASN 37 CO -0.05 0.26 1.09 -0.55 -3.72 0.00 0.00 177.10 174.13 2xb2 s SER 38 N -1.38 -0.32 -0.06 -4.21 0.15 -1.26 -1.57 113.70 105.05 2xb2 s SER 38 Ca 0.14 0.46 0.10 0.00 0.70 0.00 0.00 55.95 57.36 2xb2 s SER 38 Cb -0.10 0.42 0.25 0.00 -1.71 0.00 0.00 66.02 64.87 2xb2 s SER 38 CO 0.05 -0.22 1.19 0.59 1.20 0.00 0.00 173.24 176.04 2xb2 n ASN 39 N 1.21 2.72 -4.62 5.45 4.13 -1.08 -3.33 115.26 119.73 2xb2 n ASN 39 Ca -0.10 -2.41 -0.51 0.00 1.68 0.00 0.00 54.58 53.24 2xb2 n ASN 39 Cb 0.57 -0.26 -0.06 0.00 -1.54 0.00 0.00 39.78 38.50 2xb2 n ASN 39 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2xb2 n TYR 40 N -0.38 1.76 -4.28 3.10 9.36 -1.25 -0.25 117.16 125.23 2xb2 n TYR 40 Ca 0.11 0.53 -0.36 0.00 3.32 0.00 0.00 57.90 61.49 2xb2 n TYR 40 Cb 0.50 -2.40 -0.05 0.00 -0.63 0.00 0.00 39.34 36.76 2xb2 n TYR 40 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 2xb2 n LYS 41 N 3.18 -2.33 -1.28 2.98 5.02 -1.26 -0.06 118.16 124.41 2xb2 n LYS 41 Ca 0.19 0.29 -0.10 0.00 -2.02 0.00 0.00 58.31 56.67 2xb2 n LYS 41 Cb 0.21 -4.76 -0.04 0.00 -0.02 0.00 0.00 35.03 30.42 2xb2 n LYS 41 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2xb2 n ASN 42 N -2.68 -4.81 -4.56 4.39 3.02 0.66 -5.00 115.26 106.28 2xb2 n ASN 42 Ca -0.01 0.24 -0.29 0.00 -0.03 0.00 0.00 54.58 54.48 2xb2 n ASN 42 Cb 0.53 -3.15 0.22 0.00 -0.61 0.00 0.00 39.78 36.77 2xb2 n ASN 42 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2xb2 s ASP 43 N -2.58 1.68 0.39 6.41 -1.08 0.91 -4.95 116.67 117.46 2xb2 s ASP 43 Ca 0.00 1.64 0.08 0.00 -0.52 0.00 0.00 52.55 53.75 2xb2 s ASP 43 Cb 0.00 -2.33 -0.08 0.00 -1.46 0.00 0.00 42.92 39.06 2xb2 s ASP 43 CO 0.00 -3.79 -0.02 0.68 0.52 0.00 0.00 175.17 172.57 2xb2 s VAL 44 N -2.57 2.05 0.35 1.11 -7.23 -1.21 -4.05 120.40 108.86 2xb2 s VAL 44 Ca 0.67 -2.05 -0.28 0.00 -1.81 0.00 0.00 61.98 58.51 2xb2 s VAL 44 Cb -0.24 -2.91 -0.11 0.00 0.56 0.00 0.00 36.38 33.69 2xb2 s VAL 44 CO 0.62 -0.05 1.38 -0.32 -0.31 0.00 0.00 175.10 176.42 2xb2 s MET 45 N -3.69 4.25 -0.14 4.82 -2.45 -1.26 -4.36 119.30 116.47 2xb2 s MET 45 Ca 0.34 2.36 0.02 0.00 -1.25 0.00 0.00 55.69 57.16 2xb2 s MET 45 Cb 0.08 -3.02 0.01 0.00 1.25 0.00 0.00 34.83 33.15 2xb2 s MET 45 CO 0.18 -0.33 -0.21 0.42 1.05 0.00 0.00 175.02 176.12 2xb2 s ILE 46 N -1.14 2.16 -0.03 10.11 1.01 -0.04 -5.00 121.20 128.28 2xb2 s ILE 46 Ca 0.51 -0.95 0.03 0.00 0.00 0.00 0.00 60.65 60.24 2xb2 s ILE 46 Cb -0.42 -1.87 0.00 0.00 0.01 0.00 0.00 42.46 40.18 2xb2 s ILE 46 CO 0.57 0.54 -0.11 -0.13 0.00 0.00 0.00 174.94 175.82 2xb2 s ARG 47 N 0.80 1.15 -0.03 2.79 0.52 -1.26 -0.97 118.95 121.95 2xb2 s ARG 47 Ca -0.07 -0.36 0.00 0.00 -0.52 0.00 0.00 55.73 54.78 2xb2 s ARG 47 Cb -0.16 -1.04 0.03 0.00 0.52 0.00 0.00 34.95 34.30 2xb2 s ARG 47 CO -0.01 0.13 0.02 0.15 0.02 0.00 0.00 175.30 175.61 2xb2 s LYS 48 N 0.20 0.12 0.25 3.54 1.02 -0.03 -5.00 119.74 119.83 2xb2 s LYS 48 Ca -0.04 0.15 0.09 0.00 0.02 0.00 0.00 55.97 56.19 2xb2 s LYS 48 Cb -0.10 -0.38 -0.05 0.00 -0.52 0.00 0.00 37.83 36.79 2xb2 s LYS 48 CO 0.01 -0.16 -0.14 -1.21 -0.92 0.00 0.00 175.35 172.93 2xb2 s GLU 49 N 1.13 1.50 -0.15 1.68 2.02 -1.26 -0.65 118.70 122.97 2xb2 s GLU 49 Ca -0.08 -1.70 -0.34 0.00 0.02 0.00 0.00 54.97 52.86 2xb2 s GLU 49 Cb -0.13 -1.33 0.14 0.00 0.10 0.00 0.00 34.13 32.90 2xb2 s GLU 49 CO -0.02 0.19 1.29 0.00 0.02 0.00 0.00 175.26 176.73 2xb2 s ALA 50 N -2.84 -2.19 -0.28 5.21 0.00 -0.23 -4.99 121.76 116.43 2xb2 s ALA 50 Ca 0.27 1.33 -0.03 0.00 0.00 0.00 0.00 51.96 53.53 2xb2 s ALA 50 Cb -0.01 0.01 0.03 0.00 0.00 0.00 0.00 23.12 23.15 2xb2 s ALA 50 CO 0.11 -0.77 -0.01 0.71 0.00 0.00 0.00 175.76 175.80 2xb2 s TYR 51 N -2.31 3.17 0.54 0.00 2.02 -1.26 0.80 117.35 120.31 2xb2 s TYR 51 Ca 0.12 -1.59 -0.09 0.00 -0.37 0.00 0.00 57.07 55.14 2xb2 s TYR 51 Cb 0.02 -2.12 -0.04 0.00 -0.40 0.00 0.00 41.96 39.41 2xb2 s TYR 51 CO -0.04 -0.74 0.91 0.14 -1.57 0.00 0.00 175.55 174.26 2xb2 s VAL 52 N 1.33 4.78 0.67 0.71 -7.23 0.10 -4.97 120.40 115.78 2xb2 s VAL 52 Ca -0.02 0.63 -0.12 0.00 -1.81 0.00 0.00 61.98 60.67 2xb2 s VAL 52 Cb -0.18 -3.84 -0.01 0.00 0.56 0.00 0.00 36.38 32.91 2xb2 s VAL 52 CO -0.02 -0.95 1.05 -2.28 -0.31 0.00 0.00 175.10 172.60 2xb2 s HIS 53 N -2.90 3.18 0.26 2.82 2.46 -1.26 -4.72 115.29 115.13 2xb2 s HIS 53 Ca 0.52 1.42 -0.02 0.00 0.47 0.00 0.00 55.06 57.45 2xb2 s HIS 53 Cb -0.11 -2.87 0.46 0.00 -0.13 0.00 0.00 32.58 29.93 2xb2 s HIS 53 CO 0.47 -1.11 1.82 1.57 -2.47 0.00 0.00 174.74 175.02 2xb2 h LYS 54 N -0.46 0.86 0.00 2.88 2.10 -1.97 -0.77 116.57 119.20 2xb2 h LYS 54 Ca -0.44 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.16 2xb2 h LYS 54 Cb 1.21 -0.19 0.00 0.00 -0.90 0.00 0.00 32.23 32.34 2xb2 h LYS 54 CO 0.58 0.57 0.00 0.66 -2.00 0.00 0.00 179.45 179.26 2xb2 h SER 55 N 0.88 0.00 0.00 7.07 4.64 -1.98 0.18 113.55 124.34 2xb2 h SER 55 Ca 0.44 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.74 2xb2 h SER 55 Cb 0.41 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.49 2xb2 h SER 55 CO -0.25 0.00 -0.09 0.58 -0.87 0.00 0.00 176.83 176.20 2xb2 h VAL 56 N 0.00 1.56 -0.73 0.95 2.07 -1.50 -2.30 116.25 116.29 2xb2 h VAL 56 Ca 0.00 -2.20 0.10 0.00 0.82 0.00 0.00 66.70 65.42 2xb2 h VAL 56 Cb 0.02 2.98 -0.07 0.00 -1.52 0.00 0.00 31.29 32.70 2xb2 h VAL 56 CO 0.00 0.53 0.36 0.24 0.02 0.00 0.00 177.57 178.72 2xb2 h MET 57 N -1.00 0.59 0.17 1.57 2.07 -1.13 0.52 114.93 117.71 2xb2 h MET 57 Ca -0.02 -0.04 0.01 0.00 -2.07 0.00 0.00 59.70 57.58 2xb2 h MET 57 Cb 0.93 -0.13 -0.03 0.00 -1.87 0.00 0.00 31.60 30.49 2xb2 h MET 57 CO -0.01 0.39 -0.28 0.93 1.07 0.00 0.00 176.91 179.01 2xb2 h GLU 58 N 0.60 -0.50 -0.33 1.72 4.39 -0.76 0.67 114.58 120.37 2xb2 h GLU 58 Ca 0.36 0.03 -0.04 0.00 0.34 0.00 0.00 59.36 60.05 2xb2 h GLU 58 Cb 0.40 0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 29.15 2xb2 h GLU 58 CO -0.28 -0.33 0.02 1.49 -1.16 0.00 0.00 179.01 178.74 2xb2 h GLU 59 N -0.52 0.50 -0.48 2.33 4.57 -0.74 -1.06 114.58 119.18 2xb2 h GLU 59 Ca 0.02 -0.10 -0.07 0.00 -1.18 0.00 0.00 59.36 58.03 2xb2 h GLU 59 Cb 0.53 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.02 2xb2 h GLU 59 CO -0.13 0.52 0.02 1.25 -1.18 0.00 0.00 179.01 179.49 2xb2 h LEU 60 N 0.49 0.74 -0.19 1.64 5.85 0.64 -2.20 115.31 122.28 2xb2 h LEU 60 Ca 0.11 -0.17 -0.06 0.00 0.84 0.00 0.00 57.88 58.60 2xb2 h LEU 60 Cb 0.29 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.12 2xb2 h LEU 60 CO 0.01 0.80 -0.11 0.50 -0.34 0.00 0.00 178.44 179.29 2xb2 h LYS 61 N 0.74 0.41 -0.93 1.25 3.64 0.05 -2.60 116.57 119.13 2xb2 h LYS 61 Ca 0.15 -0.19 0.15 0.00 -1.27 0.00 0.00 60.65 59.49 2xb2 h LYS 61 Cb 0.41 -0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 32.13 2xb2 h LYS 61 CO 0.01 0.72 0.53 0.00 -2.27 0.00 0.00 179.45 178.45 2xb2 h ARG 62 N 0.09 0.73 -0.10 1.90 3.08 -0.91 0.88 114.38 120.06 2xb2 h ARG 62 Ca 0.04 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 2xb2 h ARG 62 Cb 0.61 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.49 2xb2 h ARG 62 CO 0.03 0.49 0.05 0.82 -1.07 0.00 0.00 179.97 180.29 2xb2 h ILE 63 N 0.76 1.11 -0.84 2.04 2.04 -1.27 0.07 117.51 121.42 2xb2 h ILE 63 Ca 0.50 -0.31 0.04 0.00 1.00 0.00 0.00 64.86 66.10 2xb2 h ILE 63 Cb 0.68 1.13 -0.05 0.00 -0.74 0.00 0.00 36.82 37.84 2xb2 h ILE 63 CO -0.34 0.09 0.53 0.40 0.00 0.00 0.00 178.15 178.84 2xb2 h ILE 64 N 0.05 1.10 0.52 -0.67 1.08 -0.90 -2.71 117.51 115.98 2xb2 h ILE 64 Ca 0.03 -0.35 -0.03 0.00 -0.39 0.00 0.00 64.86 64.13 2xb2 h ILE 64 Cb 0.11 -0.01 0.01 0.00 -3.07 0.00 0.00 36.82 33.86 2xb2 h ILE 64 CO -0.00 0.19 -0.25 0.44 -0.69 0.00 0.00 178.15 177.83 2xb2 h ASP 65 N 1.02 -0.59 0.00 1.72 3.32 -0.51 -3.07 116.42 118.31 2xb2 h ASP 65 Ca 0.35 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.42 2xb2 h ASP 65 Cb 0.06 0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.77 2xb2 h ASP 65 CO -0.14 -0.36 0.51 0.44 -1.72 0.00 0.00 179.24 177.97 2xb2 h ASP 66 N -0.83 0.00 1.19 6.45 3.32 -0.97 0.31 116.42 125.90 2xb2 h ASP 66 Ca -0.07 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.86 2xb2 h ASP 66 Cb 0.53 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.07 2xb2 h ASP 66 CO 0.12 0.00 -0.85 0.77 -1.72 0.00 0.00 179.24 177.56 2xb2 h SER 67 N 0.00 0.00 -5.96 6.45 4.64 -1.39 -3.48 113.55 113.82 2xb2 h SER 67 Ca 0.00 0.00 -0.40 0.00 -0.47 0.00 0.00 61.79 60.92 2xb2 h SER 67 Cb 1.01 0.00 0.09 0.00 -0.31 0.00 0.00 62.40 63.19 2xb2 h SER 67 CO 0.00 0.47 -0.75 -0.62 -0.87 0.00 0.00 176.83 175.06 2xb2 n GLU 68 N -3.06 -6.40 0.20 4.77 1.02 0.11 -4.88 120.64 112.41 2xb2 n GLU 68 Ca -0.02 0.73 0.10 0.00 -0.02 0.00 0.00 57.16 57.95 2xb2 n GLU 68 Cb 0.75 -5.63 0.23 0.00 -0.02 0.00 0.00 31.44 26.77 2xb2 n GLU 68 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 2xb2 h ILE 69 N -2.18 0.33 0.00 -3.67 6.09 -1.82 -3.08 117.51 113.19 2xb2 h ILE 69 Ca -0.59 -1.32 0.00 0.00 -1.37 0.00 0.00 64.86 61.59 2xb2 h ILE 69 Cb 1.36 2.03 0.00 0.00 0.47 0.00 0.00 36.82 40.68 2xb2 h ILE 69 CO 0.57 0.18 0.00 0.71 -3.07 0.00 0.00 178.15 176.54 2xb2 h THR 70 N 0.00 0.00 -0.38 2.19 1.35 -1.90 -2.26 112.91 111.92 2xb2 h THR 70 Ca -0.00 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.49 2xb2 h THR 70 Cb 1.02 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 68.72 2xb2 h THR 70 CO 0.02 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.58 2xb2 n LYS 71 N -2.86 1.97 -4.10 4.72 5.02 -1.16 -4.93 118.16 116.82 2xb2 n LYS 71 Ca 0.00 -1.50 -0.23 0.00 -2.02 0.00 0.00 58.31 54.56 2xb2 n LYS 71 Cb 0.25 -1.35 -0.06 0.00 -0.02 0.00 0.00 35.03 33.84 2xb2 n LYS 71 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2xb2 s GLU 72 N -1.49 2.39 0.02 1.97 0.41 -0.85 -5.15 118.70 116.00 2xb2 s GLU 72 Ca 0.30 -1.52 0.03 0.00 -0.41 0.00 0.00 54.97 53.37 2xb2 s GLU 72 Cb 0.16 -2.19 -0.01 0.00 -1.78 0.00 0.00 34.13 30.30 2xb2 s GLU 72 CO 0.21 0.13 -0.08 0.34 -0.49 0.00 0.00 175.26 175.37 2xb2 s ASP 73 N -3.84 0.98 -0.15 -0.19 2.15 -1.26 -5.04 116.67 109.32 2xb2 s ASP 73 Ca 0.37 -0.29 0.08 0.00 0.43 0.00 0.00 52.55 53.14 2xb2 s ASP 73 Cb -0.03 -0.06 0.51 0.00 -0.30 0.00 0.00 42.92 43.04 2xb2 s ASP 73 CO 0.23 0.00 1.29 -0.90 -0.17 0.00 0.00 175.17 175.62 2xb2 n ASP 74 N 2.36 3.94 0.19 -0.34 5.75 -1.26 -4.53 116.55 122.65 2xb2 n ASP 74 Ca -0.16 -2.59 -0.08 0.00 -0.01 0.00 0.00 54.79 51.94 2xb2 n ASP 74 Cb 0.56 -0.62 -0.04 0.00 -1.03 0.00 0.00 41.12 40.00 2xb2 n ASP 74 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2xb2 h ALA 75 N 3.19 -0.88 0.00 2.12 0.00 -1.96 -3.20 119.26 118.53 2xb2 h ALA 75 Ca 0.01 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2xb2 h ALA 75 Cb 1.45 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.44 2xb2 h ALA 75 CO 0.32 -0.84 0.00 1.28 0.00 0.00 0.00 179.25 180.01 2xb2 n LEU 76 N -3.73 0.47 -4.84 0.00 4.77 -1.26 -4.84 117.00 107.57 2xb2 n LEU 76 Ca -0.06 -0.23 -0.37 0.00 -0.03 0.00 0.00 56.01 55.32 2xb2 n LEU 76 Cb 0.20 -0.23 -0.06 0.00 -2.33 0.00 0.00 43.42 41.00 2xb2 n LEU 76 CO 0.15 0.12 0.14 0.26 -1.33 0.00 0.00 177.39 176.73 2xb2 s TRP 77 N -1.43 3.68 0.15 -1.77 0.52 -1.21 -3.82 118.94 115.06 2xb2 s TRP 77 Ca 0.00 0.99 -0.34 0.00 0.02 0.00 0.00 56.10 56.76 2xb2 s TRP 77 Cb 0.00 -2.29 -0.15 0.00 -1.15 0.00 0.00 33.47 29.87 2xb2 s TRP 77 CO 0.00 0.57 1.40 -2.30 0.02 0.00 0.00 176.95 176.64 2xb2 n PRO 78 N 1.41 1.60 -2.48 4.98 -0.02 -1.26 -4.94 135.00 134.29 2xb2 n PRO 78 Ca -0.11 0.58 -0.33 0.00 -2.02 0.00 0.00 63.50 61.61 2xb2 n PRO 78 Cb 0.52 -2.24 -0.03 0.00 -0.02 0.00 0.00 33.50 31.73 2xb2 n PRO 78 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2xb2 s PRO 79 N 0.34 3.79 0.11 0.52 0.04 -1.26 -1.65 135.00 136.89 2xb2 s PRO 79 Ca 0.78 1.26 -0.36 0.00 0.04 0.00 0.00 61.00 62.73 2xb2 s PRO 79 Cb -0.80 -2.10 -0.16 0.00 0.04 0.00 0.00 34.50 31.48 2xb2 s PRO 79 CO 0.45 -0.43 1.44 -2.30 0.04 0.00 0.00 177.00 176.21 2xb2 n PRO 80 N -1.16 1.56 -0.85 0.56 -0.02 -1.26 -3.62 135.00 130.21 2xb2 n PRO 80 Ca 0.09 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 2xb2 n PRO 80 Cb 0.53 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 2xb2 n PRO 80 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2xb2 n ASP 81 N 2.92 1.79 -0.19 2.55 5.68 -1.09 -4.85 116.55 123.35 2xb2 n ASP 81 Ca 0.18 -0.43 -0.07 0.00 -0.50 0.00 0.00 54.79 53.97 2xb2 n ASP 81 Cb 0.23 0.00 0.02 0.00 -1.14 0.00 0.00 41.12 40.23 2xb2 n ASP 81 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 2xb2 h ARG 82 N 0.00 0.76 -0.54 0.11 9.65 -2.00 -2.80 114.38 119.56 2xb2 h ARG 82 Ca 0.00 -0.09 0.11 0.00 -1.10 0.00 0.00 59.98 58.90 2xb2 h ARG 82 Cb 0.00 -0.15 -0.10 0.00 -1.39 0.00 0.00 29.97 28.33 2xb2 h ARG 82 CO 0.00 0.59 -0.08 0.28 2.80 0.00 0.00 179.97 183.56 2xb2 h VAL 83 N 0.73 0.49 0.00 0.20 2.07 -1.97 -3.42 116.25 114.36 2xb2 h VAL 83 Ca 0.19 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.70 2xb2 h VAL 83 Cb 0.06 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 2xb2 h VAL 83 CO -0.03 0.01 0.00 0.61 0.02 0.00 0.00 177.57 178.18 2xb2 n GLY 84 N -1.37 -0.32 2.97 2.17 0.00 -1.06 -4.72 105.19 102.87 2xb2 n GLY 84 Ca 0.06 -1.09 -0.17 0.00 0.00 0.00 0.00 46.02 44.82 2xb2 n GLY 84 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2xb2 s ARG 85 N -2.00 0.58 -0.02 1.61 3.52 -0.36 -2.66 118.95 119.62 2xb2 s ARG 85 Ca 0.00 -0.22 0.07 0.00 -0.13 0.00 0.00 55.73 55.45 2xb2 s ARG 85 Cb 0.00 -0.57 -0.02 0.00 -1.56 0.00 0.00 34.95 32.80 2xb2 s ARG 85 CO 0.00 0.11 -0.24 -0.65 -0.81 0.00 0.00 175.30 173.72 2xb2 s GLN 86 N -0.01 2.16 0.01 5.12 -0.21 0.21 -2.03 119.66 124.91 2xb2 s GLN 86 Ca 0.01 -0.90 0.02 0.00 0.02 0.00 0.00 55.36 54.50 2xb2 s GLN 86 Cb -0.04 -2.10 -0.01 0.00 1.00 0.00 0.00 33.01 31.85 2xb2 s GLN 86 CO -0.00 0.57 -0.06 -1.21 -2.12 0.00 0.00 175.29 172.46 2xb2 s GLU 87 N -0.72 0.47 -0.27 2.91 2.02 -0.28 -2.06 118.70 120.78 2xb2 s GLU 87 Ca 0.11 -0.37 -0.01 0.00 0.02 0.00 0.00 54.97 54.72 2xb2 s GLU 87 Cb -0.10 -0.39 0.13 0.00 0.10 0.00 0.00 34.13 33.87 2xb2 s GLU 87 CO -0.00 0.10 0.31 -1.17 0.02 0.00 0.00 175.26 174.52 2xb2 s LEU 88 N -0.58 -0.36 -0.26 1.80 2.96 -0.97 -1.86 118.68 119.41 2xb2 s LEU 88 Ca -0.02 -0.51 -0.10 0.00 -0.22 0.00 0.00 54.13 53.28 2xb2 s LEU 88 Cb -0.05 0.66 -0.05 0.00 0.50 0.00 0.00 46.19 47.26 2xb2 s LEU 88 CO 0.00 -0.37 0.17 -1.61 -1.32 0.00 0.00 176.35 173.22 2xb2 s GLU 89 N 2.41 3.97 -0.05 1.98 2.02 -0.40 -1.66 118.70 126.97 2xb2 s GLU 89 Ca 0.10 -0.32 0.03 0.00 0.02 0.00 0.00 54.97 54.80 2xb2 s GLU 89 Cb -0.14 -3.58 0.01 0.00 0.10 0.00 0.00 34.13 30.52 2xb2 s GLU 89 CO -0.28 -0.08 -0.12 0.42 0.02 0.00 0.00 175.26 175.22 2xb2 s ILE 90 N 1.46 1.07 -0.58 -1.63 1.01 -0.17 -0.91 121.20 121.46 2xb2 s ILE 90 Ca 0.07 -0.47 0.07 0.00 0.00 0.00 0.00 60.65 60.32 2xb2 s ILE 90 Cb -0.15 -0.96 0.25 0.00 0.01 0.00 0.00 42.46 41.61 2xb2 s ILE 90 CO 0.08 0.33 0.70 0.52 0.00 0.00 0.00 174.94 176.57 2xb2 n VAL 91 N 3.61 1.61 -3.65 2.92 0.31 0.80 -1.02 118.33 122.90 2xb2 n VAL 91 Ca -0.21 -4.93 -0.37 0.00 -0.01 0.00 0.00 64.34 58.82 2xb2 n VAL 91 Cb 0.52 -2.05 -0.06 0.00 -0.91 0.00 0.00 33.84 31.35 2xb2 n VAL 91 CO 0.00 0.00 0.00 -0.51 -1.32 0.00 0.00 176.83 175.00 2xb2 s ILE 92 N -2.19 5.20 0.00 2.52 2.07 -0.60 -3.14 121.20 125.06 2xb2 s ILE 92 Ca 0.39 0.52 0.00 0.00 -1.41 0.00 0.00 60.65 60.15 2xb2 s ILE 92 Cb 0.16 -3.60 0.00 0.00 0.13 0.00 0.00 42.46 39.15 2xb2 s ILE 92 CO -0.04 0.52 0.00 0.61 -1.91 0.00 0.00 174.94 174.12 2xb2 n GLY 93 N 1.62 2.02 0.84 1.50 0.00 -1.26 0.02 105.19 109.93 2xb2 n GLY 93 Ca -0.14 0.43 0.01 0.00 0.00 0.00 0.00 46.02 46.32 2xb2 n GLY 93 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2xb2 n ASP 94 N 7.82 2.20 -3.95 1.61 8.00 -1.26 -4.98 116.55 126.00 2xb2 n ASP 94 Ca 0.00 -3.86 -0.29 0.00 0.71 0.00 0.00 54.79 51.35 2xb2 n ASP 94 Cb 0.00 -0.50 -0.16 0.00 -0.02 0.00 0.00 41.12 40.44 2xb2 n ASP 94 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2xb2 s GLU 95 N -3.26 1.78 -0.87 -1.24 2.02 0.10 -5.04 118.70 112.20 2xb2 s GLU 95 Ca 0.40 -0.53 0.01 0.00 0.02 0.00 0.00 54.97 54.87 2xb2 s GLU 95 Cb 0.38 -2.01 0.27 0.00 0.10 0.00 0.00 34.13 32.87 2xb2 s GLU 95 CO -0.05 -0.35 1.06 1.58 0.02 0.00 0.00 175.26 177.53 2xb2 n HIS 96 N 4.83 3.16 -3.32 1.61 -0.00 -1.26 -1.56 115.22 118.68 2xb2 n HIS 96 Ca -0.14 -3.49 -0.38 0.00 0.46 0.00 0.00 57.72 54.16 2xb2 n HIS 96 Cb 0.49 -0.94 -0.06 0.00 -0.12 0.00 0.00 29.99 29.35 2xb2 n HIS 96 CO 0.00 0.00 0.00 0.96 0.46 0.00 0.00 176.34 177.76 2xb2 s ILE 97 N -2.45 4.80 0.28 3.57 -4.36 -0.19 -4.92 121.20 117.93 2xb2 s ILE 97 Ca 0.34 1.14 0.11 0.00 -0.26 0.00 0.00 60.65 61.99 2xb2 s ILE 97 Cb 0.07 -3.86 -0.05 0.00 1.25 0.00 0.00 42.46 39.87 2xb2 s ILE 97 CO 0.02 0.56 -0.18 -0.44 0.24 0.00 0.00 174.94 175.14 2xb2 s SER 98 N -1.09 3.49 0.02 4.36 0.01 -1.26 -0.99 113.70 118.23 2xb2 s SER 98 Ca 0.28 -1.06 -0.07 0.00 1.31 0.00 0.00 55.95 56.42 2xb2 s SER 98 Cb -0.19 -0.29 -0.00 0.00 0.21 0.00 0.00 66.02 65.75 2xb2 s SER 98 CO 0.18 -0.02 0.12 -0.36 0.41 0.00 0.00 173.24 173.56 2xb2 s PHE 99 N -2.58 0.10 -0.22 2.43 0.08 -0.66 -4.79 117.98 112.33 2xb2 s PHE 99 Ca 0.30 -0.26 -0.21 0.00 0.12 0.00 0.00 56.93 56.87 2xb2 s PHE 99 Cb -0.03 -0.08 0.06 0.00 -0.57 0.00 0.00 43.02 42.40 2xb2 s PHE 99 CO 0.14 -0.31 0.60 0.99 -0.10 0.00 0.00 175.22 176.54 2xb2 s THR 100 N -1.78 0.00 -0.25 0.64 2.01 -1.26 -2.29 115.64 112.72 2xb2 s THR 100 Ca -0.12 -0.01 -0.35 0.00 0.31 0.00 0.00 61.69 61.53 2xb2 s THR 100 Cb -0.06 -0.84 0.16 0.00 0.01 0.00 0.00 72.50 71.77 2xb2 s THR 100 CO -0.00 -0.00 1.29 0.28 -0.69 0.00 0.00 174.62 175.50 2xb2 s THR 101 N 0.24 0.00 0.94 -0.82 -1.32 -0.87 -4.85 115.64 108.96 2xb2 s THR 101 Ca -0.01 0.00 -0.11 0.00 -1.21 0.00 0.00 61.69 60.36 2xb2 s THR 101 Cb -0.04 -1.00 0.16 0.00 -1.51 0.00 0.00 72.50 70.11 2xb2 s THR 101 CO 0.01 0.00 1.10 -0.94 -2.21 0.00 0.00 174.62 172.58 2xb2 s SER 102 N -1.80 2.91 0.73 8.08 1.04 -0.66 0.65 113.70 124.65 2xb2 s SER 102 Ca 0.10 1.79 -0.16 0.00 0.48 0.00 0.00 55.95 58.16 2xb2 s SER 102 Cb -0.01 -2.39 0.01 0.00 0.10 0.00 0.00 66.02 63.73 2xb2 s SER 102 CO -0.04 -3.04 0.96 0.29 0.98 0.00 0.00 173.24 172.38 2xb2 n LYS 103 N -4.17 0.46 -3.86 4.02 5.02 -1.18 -4.60 118.16 113.85 2xb2 n LYS 103 Ca 0.08 0.21 -0.36 0.00 -2.02 0.00 0.00 58.31 56.23 2xb2 n LYS 103 Cb 0.54 -2.22 -0.13 0.00 -0.02 0.00 0.00 35.03 33.19 2xb2 n LYS 103 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2xb2 s ILE 104 N -1.85 3.73 -0.00 -0.18 1.01 -1.26 -4.98 121.20 117.66 2xb2 s ILE 104 Ca 0.73 -0.37 -0.16 0.00 0.00 0.00 0.00 60.65 60.84 2xb2 s ILE 104 Cb -0.34 -2.71 -0.09 0.00 0.01 0.00 0.00 42.46 39.33 2xb2 s ILE 104 CO 0.51 0.39 0.83 1.23 0.00 0.00 0.00 174.94 177.91 2xb2 h GLY 105 N 8.12 -0.61 -0.30 6.18 0.00 -1.96 -3.49 103.07 111.01 2xb2 h GLY 105 Ca -0.40 0.23 -0.05 0.00 0.00 0.00 0.00 47.33 47.11 2xb2 h GLY 105 CO 0.59 -0.22 -0.01 -1.14 0.00 0.00 0.00 176.54 175.77 2xb2 n SER 106 N -4.42 -0.37 0.27 0.19 3.41 -1.26 -5.02 113.62 106.42 2xb2 n SER 106 Ca -0.07 -1.41 0.10 0.00 -0.26 0.00 0.00 58.87 57.23 2xb2 n SER 106 Cb 0.23 0.66 0.72 0.00 -0.26 0.00 0.00 64.21 65.56 2xb2 n SER 106 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2xb2 h LEU 107 N 0.00 0.00 -0.24 1.04 3.38 -2.00 -2.38 115.31 115.12 2xb2 h LEU 107 Ca -0.07 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.95 2xb2 h LEU 107 Cb 0.27 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.98 2xb2 h LEU 107 CO 0.09 0.02 -0.06 0.40 0.09 0.00 0.00 178.44 178.98 2xb2 h ILE 108 N 0.00 0.76 0.00 1.22 2.04 -1.98 0.16 117.51 119.71 2xb2 h ILE 108 Ca -0.00 -0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 2xb2 h ILE 108 Cb 0.04 0.76 -0.00 0.00 -0.74 0.00 0.00 36.82 36.88 2xb2 h ILE 108 CO 0.00 0.00 -0.05 0.44 0.00 0.00 0.00 178.15 178.55 2xb2 h ASP 109 N 0.00 0.00 0.27 1.72 3.32 -1.83 -2.30 116.42 117.60 2xb2 h ASP 109 Ca 0.11 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.90 2xb2 h ASP 109 Cb 0.17 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.74 2xb2 h ASP 109 CO -0.24 0.05 -1.08 0.58 -1.72 0.00 0.00 179.24 176.82 2xb2 h VAL 110 N 0.00 1.36 0.00 -1.35 2.07 -1.05 -3.15 116.25 114.13 2xb2 h VAL 110 Ca -0.00 -2.50 0.00 0.00 0.82 0.00 0.00 66.70 65.02 2xb2 h VAL 110 Cb 0.11 2.56 0.00 0.00 -1.52 0.00 0.00 31.29 32.43 2xb2 h VAL 110 CO 0.01 0.75 0.00 0.59 0.02 0.00 0.00 177.57 178.94 2xb2 n ASN 111 N -3.75 0.00 -0.70 0.57 3.02 -0.12 -2.44 115.26 111.84 2xb2 n ASN 111 Ca -0.09 -0.08 0.08 0.00 -0.03 0.00 0.00 54.58 54.46 2xb2 n ASN 111 Cb 0.91 -0.30 0.09 0.00 -0.61 0.00 0.00 39.78 39.87 2xb2 n ASN 111 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2xb2 n GLN 112 N -1.30 1.49 -1.44 3.52 6.02 -1.05 -4.92 117.38 119.70 2xb2 n GLN 112 Ca 0.13 -1.59 -0.31 0.00 -0.01 0.00 0.00 57.00 55.22 2xb2 n GLN 112 Cb 0.24 -1.33 0.08 0.00 1.02 0.00 0.00 30.24 30.25 2xb2 n GLN 112 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2xb2 s SER 113 N -1.35 4.65 0.29 1.08 1.04 -1.02 -4.94 113.70 113.45 2xb2 s SER 113 Ca 0.21 1.57 0.03 0.00 0.48 0.00 0.00 55.95 58.24 2xb2 s SER 113 Cb 0.14 -2.33 0.45 0.00 0.10 0.00 0.00 66.02 64.38 2xb2 s SER 113 CO 0.21 -1.90 1.75 0.11 0.98 0.00 0.00 173.24 174.40 2xb2 h LYS 114 N -1.04 0.49 -2.39 4.02 1.57 -1.88 -3.32 116.57 114.03 2xb2 h LYS 114 Ca -0.45 -0.17 -0.59 0.00 -1.87 0.00 0.00 60.65 57.57 2xb2 h LYS 114 Cb 1.24 -0.04 -0.40 0.00 0.08 0.00 0.00 32.23 33.11 2xb2 h LYS 114 CO 0.56 0.67 -0.81 -3.47 -0.57 0.00 0.00 179.45 175.82 2xb2 n ASP 115 N -4.16 1.65 -0.11 0.86 2.03 -1.26 -4.98 116.55 110.59 2xb2 n ASP 115 Ca 0.00 -2.94 -0.09 0.00 0.52 0.00 0.00 54.79 52.28 2xb2 n ASP 115 Cb 0.37 -0.66 -0.01 0.00 -0.72 0.00 0.00 41.12 40.10 2xb2 n ASP 115 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2xb2 h PRO 116 N 4.75 0.50 -0.95 -0.67 0.13 -1.68 -1.72 132.00 132.35 2xb2 h PRO 116 Ca 0.17 -0.07 0.15 0.00 -0.87 0.00 0.00 66.00 65.38 2xb2 h PRO 116 Cb 0.80 -0.09 -0.08 0.00 0.13 0.00 0.00 31.00 31.76 2xb2 h PRO 116 CO 0.60 0.44 0.60 0.93 -0.23 0.00 0.00 178.00 180.35 2xb2 h GLU 117 N 0.43 0.75 0.03 0.86 5.08 -1.94 0.51 114.58 120.30 2xb2 h GLU 117 Ca 0.12 -0.04 -0.22 0.00 -1.00 0.00 0.00 59.36 58.22 2xb2 h GLU 117 Cb 0.11 -0.17 0.02 0.00 0.50 0.00 0.00 28.75 29.21 2xb2 h GLU 117 CO -0.02 0.49 -0.87 0.78 -1.00 0.00 0.00 179.01 178.40 2xb2 h GLY 118 N 0.77 0.59 2.00 -3.84 0.00 -1.92 -3.15 103.07 97.52 2xb2 h GLY 118 Ca 0.49 -1.11 -0.05 0.00 0.00 0.00 0.00 47.33 46.66 2xb2 h GLY 118 CO -0.25 0.98 -0.25 1.41 0.00 0.00 0.00 176.54 178.43 2xb2 h LEU 119 N 0.09 0.00 -0.17 3.11 3.38 -0.70 -2.30 115.31 118.72 2xb2 h LEU 119 Ca -0.12 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 2xb2 h LEU 119 Cb 1.57 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.31 2xb2 h LEU 119 CO 0.17 0.25 0.09 0.03 0.09 0.00 0.00 178.44 179.06 2xb2 h ARG 120 N 0.00 0.25 -0.34 1.13 3.08 -0.93 1.44 114.38 119.01 2xb2 h ARG 120 Ca -0.00 -0.04 0.06 0.00 0.07 0.00 0.00 59.98 60.08 2xb2 h ARG 120 Cb 0.50 -0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.44 2xb2 h ARG 120 CO 0.03 0.28 -0.04 0.28 -1.07 0.00 0.00 179.97 179.45 2xb2 h VAL 121 N 0.16 0.70 0.03 2.04 2.07 -1.41 -0.96 116.25 118.89 2xb2 h VAL 121 Ca 0.06 -0.01 -0.00 0.00 0.82 0.00 0.00 66.70 67.56 2xb2 h VAL 121 Cb 0.11 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 2xb2 h VAL 121 CO -0.01 0.01 -0.02 0.15 0.02 0.00 0.00 177.57 177.72 2xb2 h PHE 122 N 0.04 -0.04 -0.21 1.57 3.57 -0.97 0.98 116.94 121.89 2xb2 h PHE 122 Ca 0.16 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.72 2xb2 h PHE 122 Cb 0.24 0.01 -0.07 0.00 2.79 0.00 0.00 35.95 38.92 2xb2 h PHE 122 CO -0.28 0.10 -0.36 -0.92 -2.23 0.00 0.00 178.31 174.63 2xb2 h TYR 123 N -0.18 -1.00 -0.17 0.41 3.20 0.23 -1.22 116.97 118.26 2xb2 h TYR 123 Ca -0.00 0.05 -0.15 0.00 3.14 0.00 0.00 58.73 61.76 2xb2 h TYR 123 Cb 0.16 0.47 0.00 0.00 1.54 0.00 0.00 36.73 38.90 2xb2 h TYR 123 CO -0.03 -0.42 -0.50 1.88 -1.64 0.00 0.00 178.16 177.45 2xb2 h TYR 124 N -0.38 0.82 -0.89 -3.82 0.05 -1.18 -2.87 116.97 108.70 2xb2 h TYR 124 Ca 0.11 -0.33 0.14 0.00 0.05 0.00 0.00 58.73 58.71 2xb2 h TYR 124 Cb 0.57 -0.14 -0.07 0.00 1.01 0.00 0.00 36.73 38.10 2xb2 h TYR 124 CO -0.47 1.11 0.57 1.25 -1.05 0.00 0.00 178.16 179.57 2xb2 h LEU 125 N 0.30 0.65 -0.73 3.88 5.85 -0.62 0.66 115.31 125.30 2xb2 h LEU 125 Ca -0.02 0.04 -0.10 0.00 0.84 0.00 0.00 57.88 58.64 2xb2 h LEU 125 Cb 1.12 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.05 2xb2 h LEU 125 CO 0.11 0.32 -0.11 0.58 -0.34 0.00 0.00 178.44 179.00 2xb2 h VAL 126 N 0.68 1.26 0.57 1.05 2.07 -1.17 -1.74 116.25 118.98 2xb2 h VAL 126 Ca 0.45 -1.21 -0.03 0.00 0.82 0.00 0.00 66.70 66.73 2xb2 h VAL 126 Cb 0.73 1.02 0.01 0.00 -1.52 0.00 0.00 31.29 31.53 2xb2 h VAL 126 CO -0.20 0.42 -0.27 1.56 0.02 0.00 0.00 177.57 179.09 2xb2 h GLN 127 N 0.77 -0.74 -0.61 1.57 4.20 -0.72 -1.55 115.11 118.04 2xb2 h GLN 127 Ca 0.13 0.05 0.18 0.00 0.06 0.00 0.00 58.65 59.06 2xb2 h GLN 127 Cb 0.62 0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.55 2xb2 h GLN 127 CO 0.04 -0.44 0.46 -0.44 -0.67 0.00 0.00 178.83 177.79 2xb2 h ASP 128 N -0.92 0.00 -0.04 1.46 3.32 -1.02 0.24 116.42 119.46 2xb2 h ASP 128 Ca -0.08 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.87 2xb2 h ASP 128 Cb 0.64 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.19 2xb2 h ASP 128 CO 0.13 0.00 -0.38 -0.07 -1.72 0.00 0.00 179.24 177.20 2xb2 h LEU 129 N 0.00 0.40 -0.77 1.55 3.38 -1.01 -2.89 115.31 115.97 2xb2 h LEU 129 Ca 0.29 -0.70 -0.02 0.00 0.09 0.00 0.00 57.88 57.54 2xb2 h LEU 129 Cb 1.21 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.80 2xb2 h LEU 129 CO -0.00 1.04 0.39 0.11 0.09 0.00 0.00 178.44 180.07 2xb2 h LYS 130 N -0.20 1.09 -0.51 1.13 1.57 -0.06 -1.28 116.57 118.31 2xb2 h LYS 130 Ca -0.04 -0.15 0.10 0.00 -1.87 0.00 0.00 60.65 58.70 2xb2 h LYS 130 Cb 1.06 -0.20 -0.09 0.00 0.08 0.00 0.00 32.23 33.08 2xb2 h LYS 130 CO 0.08 0.83 -0.09 0.00 -0.57 0.00 0.00 179.45 179.70 2xb2 h LEU 132 N 0.03 -0.34 -0.90 0.00 5.85 -1.22 -2.95 115.31 115.77 2xb2 h LEU 132 Ca 0.25 -0.18 0.12 0.00 0.84 0.00 0.00 57.88 58.91 2xb2 h LEU 132 Cb 0.39 0.09 -0.08 0.00 0.37 0.00 0.00 40.66 41.42 2xb2 h LEU 132 CO -0.50 0.04 0.53 0.58 -0.34 0.00 0.00 178.44 178.74 2xb2 h VAL 133 N -0.78 0.86 -0.51 1.05 2.07 -1.02 -1.22 116.25 116.69 2xb2 h VAL 133 Ca -0.04 -0.28 -0.08 0.00 0.82 0.00 0.00 66.70 67.12 2xb2 h VAL 133 Cb 0.51 -0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 2xb2 h VAL 133 CO 0.07 0.15 0.01 -0.26 0.02 0.00 0.00 177.57 177.56 2xb2 h PHE 134 N 0.82 0.92 -0.20 1.57 0.04 -0.83 -0.60 116.94 118.66 2xb2 h PHE 134 Ca 0.46 -0.13 -0.11 0.00 2.80 0.00 0.00 57.97 60.98 2xb2 h PHE 134 Cb 0.50 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 38.39 2xb2 h PHE 134 CO -0.04 0.83 -0.36 0.77 -0.60 0.00 0.00 178.31 178.90 2xb2 h SER 135 N 0.80 0.44 0.13 2.17 0.02 -1.18 0.20 113.55 116.14 2xb2 h SER 135 Ca 0.15 -0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 2xb2 h SER 135 Cb 0.47 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.88 2xb2 h SER 135 CO 0.02 0.77 -0.06 -0.07 -1.14 0.00 0.00 176.83 176.35 2xb2 h LEU 136 N 0.36 -0.15 -0.03 5.07 3.38 -0.85 0.19 115.31 123.28 2xb2 h LEU 136 Ca 0.04 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2xb2 h LEU 136 Cb 0.81 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.60 2xb2 h LEU 136 CO 0.07 -0.05 0.00 2.30 0.09 0.00 0.00 178.44 180.85 2xb2 n ILE 137 N -2.81 1.52 -0.04 1.22 -6.64 -0.27 -1.99 119.36 110.35 2xb2 n ILE 137 Ca -0.02 0.39 -0.00 0.00 -1.77 0.00 0.00 62.75 61.34 2xb2 n ILE 137 Cb 0.07 -1.28 -0.00 0.00 -1.44 0.00 0.00 39.64 36.99 2xb2 n ILE 137 CO 0.00 0.00 0.00 1.23 -1.77 0.00 0.00 176.55 176.01 2xb2 h GLY 138 N 1.15 -0.03 2.00 3.28 0.00 -0.48 -3.14 103.07 105.86 2xb2 h GLY 138 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.34 2xb2 h GLY 138 CO 0.00 -0.01 0.00 1.04 0.00 0.00 0.00 176.54 177.57 2xb2 n LEU 139 N -4.80 0.62 0.04 3.11 4.77 0.04 -2.01 117.00 118.78 2xb2 n LEU 139 Ca -0.00 0.65 0.03 0.00 -0.03 0.00 0.00 56.01 56.66 2xb2 n LEU 139 Cb 0.01 -0.57 -0.07 0.00 -2.33 0.00 0.00 43.42 40.46 2xb2 n LEU 139 CO 0.01 -0.54 -0.30 1.57 -1.33 0.00 0.00 177.39 176.80 2xb2 n HIS 140 N -2.19 0.85 -0.01 -1.77 -0.00 -0.84 -4.68 115.22 106.57 2xb2 n HIS 140 Ca 0.02 0.27 -0.02 0.00 0.46 0.00 0.00 57.72 58.46 2xb2 n HIS 140 Cb 0.22 -1.00 -0.02 0.00 -0.12 0.00 0.00 29.99 29.07 2xb2 n HIS 140 CO 0.00 0.00 0.00 1.19 0.46 0.00 0.00 176.34 177.99 2xb2 n PHE 141 N -2.77 0.00 -2.60 1.57 3.72 -1.17 -5.05 117.46 111.16 2xb2 n PHE 141 Ca -0.08 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.91 2xb2 n PHE 141 Cb 0.76 -0.13 -0.04 0.00 -0.94 0.00 0.00 39.48 39.13 2xb2 n PHE 141 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 2xb2 s LYS 142 N -2.06 4.58 -0.13 -1.08 2.20 -0.85 -5.02 119.74 117.37 2xb2 s LYS 142 Ca -0.03 1.59 -0.27 0.00 -0.36 0.00 0.00 55.97 56.90 2xb2 s LYS 142 Cb 0.01 -3.36 -0.01 0.00 -1.51 0.00 0.00 37.83 32.96 2xb2 s LYS 142 CO 0.09 0.02 0.91 0.42 -0.36 0.00 0.00 175.35 176.43 2xb2 s ILE 143 N 0.37 4.84 -0.03 5.43 1.01 -1.26 -4.85 121.20 126.71 2xb2 s ILE 143 Ca 0.51 1.83 -0.34 0.00 0.00 0.00 0.00 60.65 62.65 2xb2 s ILE 143 Cb -0.26 -4.22 -0.12 0.00 0.01 0.00 0.00 42.46 37.87 2xb2 s ILE 143 CO 0.31 0.03 1.81 1.17 0.00 0.00 0.00 174.94 178.26 2xb2 n LYS 144 N 5.04 2.17 -0.31 2.79 4.81 -1.26 -4.85 118.16 126.54 2xb2 n LYS 144 Ca 0.06 0.79 0.04 0.00 -0.87 0.00 0.00 58.31 58.34 2xb2 n LYS 144 Cb 0.49 -2.62 0.19 0.00 0.02 0.00 0.00 35.03 33.11 2xb2 n LYS 144 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 2xb2 h PRO 145 N 8.48 0.81 0.00 1.64 0.11 -2.05 -3.57 132.00 137.42 2xb2 h PRO 145 Ca -0.48 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.58 2xb2 h PRO 145 Cb 1.27 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2xb2 h PRO 145 CO 0.93 0.54 0.00 -0.89 -0.21 0.00 0.00 178.00 178.37