#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2xb2 n PHE 5 N 0.00 0.00 -3.64 1.24 7.35 -1.26 -4.13 117.46 117.02 2xb2 n PHE 5 Ca 0.00 0.00 -0.06 0.00 -0.76 0.00 0.00 57.45 56.63 2xb2 n PHE 5 Cb 0.00 0.00 -0.07 0.00 0.35 0.00 0.00 39.48 39.76 2xb2 n PHE 5 CO 0.00 0.00 0.00 -0.47 -0.76 0.00 0.00 176.76 175.53 2xb2 s TYR 6 N -2.00 -0.71 -0.00 -5.13 5.04 -0.26 -2.21 117.35 112.07 2xb2 s TYR 6 Ca 0.00 1.49 -0.00 0.00 -2.44 0.00 0.00 57.07 56.12 2xb2 s TYR 6 Cb 0.00 0.42 -0.00 0.00 0.35 0.00 0.00 41.96 42.73 2xb2 s TYR 6 CO 0.00 -0.35 0.01 -1.17 -1.34 0.00 0.00 175.55 172.70 2xb2 s LEU 7 N 1.12 1.99 -0.10 6.97 2.96 -0.96 0.19 118.68 130.86 2xb2 s LEU 7 Ca -0.06 -0.05 -0.10 0.00 -0.22 0.00 0.00 54.13 53.70 2xb2 s LEU 7 Cb -0.04 0.06 0.03 0.00 0.50 0.00 0.00 46.19 46.73 2xb2 s LEU 7 CO -0.13 -0.05 0.28 -0.60 -1.32 0.00 0.00 176.35 174.53 2xb2 s ARG 8 N -0.21 0.35 0.00 1.98 3.52 -0.00 0.27 118.95 124.85 2xb2 s ARG 8 Ca -0.02 0.34 0.00 0.00 -0.13 0.00 0.00 55.73 55.92 2xb2 s ARG 8 Cb -0.02 0.17 -0.00 0.00 -1.56 0.00 0.00 34.95 33.54 2xb2 s ARG 8 CO -0.00 -0.05 -0.01 -0.47 -0.81 0.00 0.00 175.30 173.96 2xb2 s TYR 9 N 0.05 0.12 -0.02 5.12 5.04 -0.61 -1.36 117.35 125.69 2xb2 s TYR 9 Ca -0.01 -0.11 -0.06 0.00 -2.44 0.00 0.00 57.07 54.45 2xb2 s TYR 9 Cb -0.02 -0.08 0.01 0.00 0.35 0.00 0.00 41.96 42.22 2xb2 s TYR 9 CO 0.01 -0.03 0.14 -0.47 -1.34 0.00 0.00 175.55 173.86 2xb2 s TYR 10 N -0.27 -0.04 -0.23 4.97 5.04 -0.81 -1.90 117.35 124.10 2xb2 s TYR 10 Ca -0.02 0.09 -0.10 0.00 -2.44 0.00 0.00 57.07 54.60 2xb2 s TYR 10 Cb -0.02 -0.01 0.09 0.00 0.35 0.00 0.00 41.96 42.37 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 -0.79 -0.45 0.05 3.14 0.11 -0.40 -1.07 120.40 120.99 2xb2 s VAL 11 Ca -0.09 0.08 -0.03 0.00 -2.93 0.00 0.00 61.98 59.02 2xb2 s VAL 11 Cb -0.05 -0.78 0.01 0.00 -1.53 0.00 0.00 36.38 34.03 2xb2 s VAL 11 CO 0.01 0.03 0.16 0.61 -3.33 0.00 0.00 175.10 172.58 2xb2 n GLY 12 N 4.93 1.50 3.84 6.54 0.00 -0.90 -0.38 105.19 120.72 2xb2 n GLY 12 Ca -0.15 -1.00 -0.06 0.00 0.00 0.00 0.00 46.02 44.81 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 -6.57 0.08 -0.24 1.61 -3.43 -0.21 -1.17 115.29 105.36 2xb2 s HIS 13 Ca 0.03 -0.61 -0.03 0.00 -0.80 0.00 0.00 55.06 53.65 2xb2 s HIS 13 Cb -0.01 0.77 0.08 0.00 -1.43 0.00 0.00 32.58 31.99 2xb2 s HIS 13 CO 0.01 -1.25 0.08 0.15 -2.00 0.00 0.00 174.74 171.74 2xb2 s LYS 14 N -2.35 0.46 0.00 -0.38 1.02 -1.26 -2.05 119.74 115.18 2xb2 s LYS 14 Ca 0.18 -0.57 0.00 0.00 0.02 0.00 0.00 55.97 55.60 2xb2 s LYS 14 Cb -0.04 -1.79 0.00 0.00 -0.52 0.00 0.00 37.83 35.48 2xb2 s LYS 14 CO 0.08 -0.83 0.00 0.41 -0.92 0.00 0.00 175.35 174.09 2xb2 n GLY 15 N 5.08 6.25 0.00 -3.33 0.00 -0.97 -4.99 105.19 107.24 2xb2 n GLY 15 Ca -0.06 -1.67 0.02 0.00 0.00 0.00 0.00 46.02 44.30 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 0.36 -0.42 1.61 2.85 -1.26 -1.89 118.16 119.41 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 -1.17 0.13 0.00 -0.65 0.00 0.00 35.03 33.34 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 -0.67 0.00 -2.98 5.58 3.72 -1.26 -4.99 117.46 116.86 2xb2 n PHE 17 Ca 0.03 -0.96 0.00 0.00 -0.05 0.00 0.00 57.45 56.47 2xb2 n PHE 17 Cb 0.01 -0.17 0.00 0.00 -0.94 0.00 0.00 39.48 38.39 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 -0.97 -1.63 3.44 1.37 0.00 -0.79 -2.58 105.19 104.02 2xb2 n GLY 18 Ca 0.14 -1.50 -0.44 0.00 0.00 0.00 0.00 46.02 44.22 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 -0.16 1.61 5.65 -1.26 -2.28 115.29 122.05 2xb2 s HIS 19 Ca 0.00 -1.47 -0.24 0.00 0.25 0.00 0.00 55.06 53.61 2xb2 s HIS 19 Cb 0.00 -4.23 -0.02 0.00 -1.18 0.00 0.00 32.58 27.14 2xb2 s HIS 19 CO 0.00 -1.43 0.74 -1.21 -0.65 0.00 0.00 174.74 172.19 2xb2 s GLU 20 N 2.40 4.30 0.12 2.88 2.02 -0.87 -4.51 118.70 125.04 2xb2 s GLU 20 Ca 0.31 0.87 -0.17 0.00 0.02 0.00 0.00 54.97 56.00 2xb2 s GLU 20 Cb -0.05 -3.55 0.04 0.00 0.10 0.00 0.00 34.13 30.67 2xb2 s GLU 20 CO -0.09 -0.22 0.42 -0.59 0.02 0.00 0.00 175.26 174.80 2xb2 s PHE 21 N 1.80 -0.24 -0.08 1.61 -0.12 -0.64 -1.04 117.98 119.28 2xb2 s PHE 21 Ca 0.35 -0.03 0.03 0.00 -0.05 0.00 0.00 56.93 57.23 2xb2 s PHE 21 Cb -0.17 0.28 0.01 0.00 -0.63 0.00 0.00 43.02 42.51 2xb2 s PHE 21 CO 0.13 -0.70 -0.17 -1.17 -0.05 0.00 0.00 175.22 173.26 2xb2 s LEU 22 N -2.71 1.81 -0.17 -1.99 1.98 0.49 -1.20 118.68 116.89 2xb2 s LEU 22 Ca 0.02 -0.39 -0.15 0.00 -2.89 0.00 0.00 54.13 50.72 2xb2 s LEU 22 Cb 0.01 -1.04 0.05 0.00 0.66 0.00 0.00 46.19 45.87 2xb2 s LEU 22 CO -0.11 0.08 0.46 -0.70 -1.89 0.00 0.00 176.35 174.19 2xb2 s GLU 23 N 0.52 0.51 -0.00 1.98 2.12 -0.05 -1.27 118.70 122.51 2xb2 s GLU 23 Ca -0.16 0.68 -0.01 0.00 0.36 0.00 0.00 54.97 55.84 2xb2 s GLU 23 Cb -0.16 0.20 -0.00 0.00 0.26 0.00 0.00 34.13 34.43 2xb2 s GLU 23 CO 0.06 -0.08 0.03 -0.59 -0.54 0.00 0.00 175.26 174.13 2xb2 s PHE 24 N 0.50 0.05 0.00 5.30 -0.12 -0.80 0.33 117.98 123.25 2xb2 s PHE 24 Ca -0.02 -0.09 0.05 0.00 -0.05 0.00 0.00 56.93 56.82 2xb2 s PHE 24 Cb -0.04 -0.05 -0.01 0.00 -0.63 0.00 0.00 43.02 42.29 2xb2 s PHE 24 CO -0.03 -0.09 -0.15 -2.00 -0.05 0.00 0.00 175.22 172.91 2xb2 s GLU 25 N -0.48 1.14 -0.48 1.99 2.12 0.15 -1.57 118.70 121.57 2xb2 s GLU 25 Ca -0.05 -0.60 0.02 0.00 0.36 0.00 0.00 54.97 54.70 2xb2 s GLU 25 Cb -0.03 -1.12 0.13 0.00 0.26 0.00 0.00 34.13 33.36 2xb2 s GLU 25 CO -0.00 0.30 0.23 -0.06 -0.54 0.00 0.00 175.26 175.19 2xb2 s PHE 26 N -0.48 3.41 0.78 5.30 0.08 0.14 -1.17 117.98 126.05 2xb2 s PHE 26 Ca 0.05 -2.99 -0.11 0.00 0.12 0.00 0.00 56.93 54.00 2xb2 s PHE 26 Cb -0.06 -2.95 0.06 0.00 -0.57 0.00 0.00 43.02 39.50 2xb2 s PHE 26 CO -0.00 -0.83 1.11 1.03 -0.10 0.00 0.00 175.22 176.43 2xb2 s ARG 27 N 0.18 2.09 0.39 0.44 0.52 -0.62 -2.26 118.95 119.70 2xb2 s ARG 27 Ca 0.15 1.30 0.06 0.00 -0.52 0.00 0.00 55.73 56.72 2xb2 s ARG 27 Cb -0.23 -1.87 0.78 0.00 0.52 0.00 0.00 34.95 34.15 2xb2 s ARG 27 CO -0.03 -1.79 2.02 -1.00 0.02 0.00 0.00 175.30 174.52 2xb2 h PRO 28 N -1.07 0.58 -0.17 3.54 0.13 -1.79 -1.89 132.00 131.33 2xb2 h PRO 28 Ca -0.44 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2xb2 h PRO 28 Cb 1.24 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.25 2xb2 h PRO 28 CO 0.50 0.42 0.00 -0.40 -0.23 0.00 0.00 178.00 178.29 2xb2 n ASP 29 N -4.43 0.17 0.00 1.44 5.75 -1.26 -4.77 116.55 113.45 2xb2 n ASP 29 Ca 0.03 -1.41 0.00 0.00 -0.01 0.00 0.00 54.79 53.40 2xb2 n ASP 29 Cb 0.09 -0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 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 0.19 0.53 3.64 6.12 0.00 -0.71 -4.92 105.19 110.04 2xb2 n GLY 30 Ca 0.00 -0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.55 4.15 -0.28 1.61 2.20 -1.24 -0.25 119.74 125.37 2xb2 s LYS 31 Ca 0.00 0.86 -0.11 0.00 -0.36 0.00 0.00 55.97 56.35 2xb2 s LYS 31 Cb 0.00 -3.66 -0.05 0.00 -1.51 0.00 0.00 37.83 32.61 2xb2 s LYS 31 CO 0.00 -0.53 0.21 -1.17 -0.36 0.00 0.00 175.35 173.50 2xb2 s LEU 32 N 2.83 4.03 -0.18 5.43 0.20 0.30 -1.58 118.68 129.72 2xb2 s LEU 32 Ca 0.34 0.02 0.00 0.00 0.69 0.00 0.00 54.13 55.18 2xb2 s LEU 32 Cb -0.15 -2.15 0.01 0.00 -0.43 0.00 0.00 46.19 43.47 2xb2 s LEU 32 CO 0.08 -0.07 -0.16 -0.13 -0.29 0.00 0.00 176.35 175.78 2xb2 s ARG 33 N 1.79 3.11 0.04 1.98 0.52 -0.32 -1.21 118.95 124.86 2xb2 s ARG 33 Ca 0.08 -0.78 0.08 0.00 -0.52 0.00 0.00 55.73 54.59 2xb2 s ARG 33 Cb -0.16 -2.65 -0.03 0.00 0.52 0.00 0.00 34.95 32.64 2xb2 s ARG 33 CO 0.11 -0.14 -0.22 -0.47 0.02 0.00 0.00 175.30 174.59 2xb2 s TYR 34 N 1.18 1.94 -0.24 -0.53 5.04 0.11 0.35 117.35 125.21 2xb2 s TYR 34 Ca 0.02 -0.38 -0.10 0.00 -2.44 0.00 0.00 57.07 54.16 2xb2 s TYR 34 Cb -0.14 -1.17 0.09 0.00 0.35 0.00 0.00 41.96 41.10 2xb2 s TYR 34 CO -0.07 0.09 0.54 0.00 -1.34 0.00 0.00 175.55 174.76 2xb2 s ALA 35 N -0.78 -1.53 -0.25 3.97 0.00 0.15 -0.86 121.76 122.46 2xb2 s ALA 35 Ca 0.09 1.93 0.00 0.00 0.00 0.00 0.00 51.96 53.98 2xb2 s ALA 35 Cb -0.09 -1.39 0.04 0.00 0.00 0.00 0.00 23.12 21.68 2xb2 s ALA 35 CO 0.02 -0.63 -0.08 1.21 0.00 0.00 0.00 175.76 176.28 2xb2 s ASN 36 N 2.25 4.33 0.06 0.00 3.84 -0.27 -0.87 114.94 124.29 2xb2 s ASN 36 Ca -0.06 -1.11 0.07 0.00 0.21 0.00 0.00 52.86 51.98 2xb2 s ASN 36 Cb -0.10 -1.61 -0.03 0.00 -0.55 0.00 0.00 41.25 38.95 2xb2 s ASN 36 CO -0.16 -0.16 -0.17 0.21 -2.79 0.00 0.00 177.10 174.03 2xb2 s ASN 37 N 1.23 3.88 -0.26 -4.21 2.47 -0.34 -0.97 114.94 116.73 2xb2 s ASN 37 Ca -0.03 -0.45 -0.27 0.00 0.42 0.00 0.00 52.86 52.53 2xb2 s ASN 37 Cb -0.18 -0.62 0.16 0.00 -1.45 0.00 0.00 41.25 39.16 2xb2 s ASN 37 CO -0.05 0.23 1.21 -0.55 -3.72 0.00 0.00 177.10 174.22 2xb2 s SER 38 N -1.65 -0.23 -0.06 -4.21 0.15 -1.26 -1.62 113.70 104.82 2xb2 s SER 38 Ca 0.16 0.38 0.11 0.00 0.70 0.00 0.00 55.95 57.30 2xb2 s SER 38 Cb -0.11 0.36 0.32 0.00 -1.71 0.00 0.00 66.02 64.88 2xb2 s SER 38 CO 0.07 -0.13 1.26 0.59 1.20 0.00 0.00 173.24 176.22 2xb2 n ASN 39 N 1.37 3.01 -4.62 5.45 3.02 -1.07 -3.30 115.26 119.12 2xb2 n ASN 39 Ca -0.09 -2.35 -0.55 0.00 -0.03 0.00 0.00 54.58 51.56 2xb2 n ASN 39 Cb 0.57 -0.30 -0.07 0.00 -0.61 0.00 0.00 39.78 39.38 2xb2 n ASN 39 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2xb2 n TYR 40 N -0.04 1.56 -4.22 3.10 9.36 -1.25 0.55 117.16 126.22 2xb2 n TYR 40 Ca 0.13 0.69 -0.35 0.00 3.32 0.00 0.00 57.90 61.69 2xb2 n TYR 40 Cb 0.54 -2.33 -0.03 0.00 -0.63 0.00 0.00 39.34 36.89 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 3.20 -2.86 -1.22 2.98 5.02 -1.26 -0.36 118.16 123.67 2xb2 n LYS 41 Ca 0.21 0.34 -0.08 0.00 -2.02 0.00 0.00 58.31 56.77 2xb2 n LYS 41 Cb 0.15 -4.91 -0.03 0.00 -0.02 0.00 0.00 35.03 30.22 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 -2.70 -4.75 -4.52 4.39 3.02 0.19 -5.01 115.26 105.89 2xb2 n ASN 42 Ca 0.01 0.19 -0.29 0.00 -0.03 0.00 0.00 54.58 54.45 2xb2 n ASN 42 Cb 0.53 -2.91 0.24 0.00 -0.61 0.00 0.00 39.78 37.03 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 -2.48 1.26 0.39 6.41 -1.08 0.51 -4.95 116.67 116.74 2xb2 s ASP 43 Ca 0.00 1.64 0.07 0.00 -0.52 0.00 0.00 52.55 53.74 2xb2 s ASP 43 Cb 0.00 -2.36 -0.08 0.00 -1.46 0.00 0.00 42.92 39.03 2xb2 s ASP 43 CO 0.00 -4.05 0.00 0.68 0.52 0.00 0.00 175.17 172.33 2xb2 s VAL 44 N -2.49 1.91 0.34 1.11 -7.23 -1.21 -4.08 120.40 108.76 2xb2 s VAL 44 Ca 0.68 -2.02 -0.29 0.00 -1.81 0.00 0.00 61.98 58.54 2xb2 s VAL 44 Cb -0.25 -2.93 -0.10 0.00 0.56 0.00 0.00 36.38 33.66 2xb2 s VAL 44 CO 0.64 -0.02 1.36 -0.32 -0.31 0.00 0.00 175.10 176.44 2xb2 s MET 45 N -3.72 4.29 -0.15 4.82 -2.45 -1.26 -4.38 119.30 116.45 2xb2 s MET 45 Ca 0.35 2.31 0.01 0.00 -1.25 0.00 0.00 55.69 57.11 2xb2 s MET 45 Cb 0.09 -3.05 0.01 0.00 1.25 0.00 0.00 34.83 33.13 2xb2 s MET 45 CO 0.17 -0.28 -0.19 0.42 1.05 0.00 0.00 175.02 176.19 2xb2 s ILE 46 N -1.08 2.31 -0.03 10.11 1.01 -0.14 -5.00 121.20 128.38 2xb2 s ILE 46 Ca 0.50 -0.89 0.03 0.00 0.00 0.00 0.00 60.65 60.30 2xb2 s ILE 46 Cb -0.41 -1.95 0.00 0.00 0.01 0.00 0.00 42.46 40.10 2xb2 s ILE 46 CO 0.55 0.53 -0.12 -0.13 0.00 0.00 0.00 174.94 175.77 2xb2 s ARG 47 N 0.90 1.28 -0.03 2.79 0.52 -1.26 -1.11 118.95 122.03 2xb2 s ARG 47 Ca -0.04 -0.42 0.00 0.00 -0.52 0.00 0.00 55.73 54.74 2xb2 s ARG 47 Cb -0.15 -1.15 0.03 0.00 0.52 0.00 0.00 34.95 34.19 2xb2 s ARG 47 CO -0.03 0.16 0.01 0.15 0.02 0.00 0.00 175.30 175.61 2xb2 s LYS 48 N 0.14 0.28 0.28 3.54 1.02 -0.04 -5.01 119.74 119.95 2xb2 s LYS 48 Ca -0.03 0.11 0.09 0.00 0.02 0.00 0.00 55.97 56.15 2xb2 s LYS 48 Cb -0.10 -0.51 -0.06 0.00 -0.52 0.00 0.00 37.83 36.64 2xb2 s LYS 48 CO 0.01 -0.16 -0.11 -1.21 -0.92 0.00 0.00 175.35 172.95 2xb2 s GLU 49 N 1.19 1.59 -0.19 1.68 2.02 -1.26 -0.71 118.70 123.01 2xb2 s GLU 49 Ca -0.07 -1.77 -0.36 0.00 0.02 0.00 0.00 54.97 52.79 2xb2 s GLU 49 Cb -0.13 -1.39 0.15 0.00 0.10 0.00 0.00 34.13 32.85 2xb2 s GLU 49 CO -0.02 0.15 1.36 0.00 0.02 0.00 0.00 175.26 176.77 2xb2 s ALA 50 N -2.81 -2.28 -0.28 5.21 0.00 -0.35 -4.98 121.76 116.27 2xb2 s ALA 50 Ca 0.29 1.46 -0.02 0.00 0.00 0.00 0.00 51.96 53.70 2xb2 s ALA 50 Cb 0.01 -0.10 0.04 0.00 0.00 0.00 0.00 23.12 23.07 2xb2 s ALA 50 CO 0.12 -0.75 -0.03 0.71 0.00 0.00 0.00 175.76 175.81 2xb2 s TYR 51 N -2.14 3.18 0.58 0.00 2.02 -1.26 0.11 117.35 119.85 2xb2 s TYR 51 Ca 0.13 -1.74 -0.10 0.00 -0.37 0.00 0.00 57.07 54.98 2xb2 s TYR 51 Cb 0.02 -2.08 -0.04 0.00 -0.40 0.00 0.00 41.96 39.46 2xb2 s TYR 51 CO -0.04 -0.77 0.97 0.14 -1.57 0.00 0.00 175.55 174.28 2xb2 s VAL 52 N 1.28 4.74 0.62 0.71 -7.23 0.66 -4.97 120.40 116.21 2xb2 s VAL 52 Ca -0.03 0.76 -0.13 0.00 -1.81 0.00 0.00 61.98 60.77 2xb2 s VAL 52 Cb -0.18 -3.86 -0.03 0.00 0.56 0.00 0.00 36.38 32.87 2xb2 s VAL 52 CO -0.02 -1.05 1.04 -2.28 -0.31 0.00 0.00 175.10 172.48 2xb2 s HIS 53 N -3.04 3.27 0.28 2.82 2.46 -1.26 -4.72 115.29 115.10 2xb2 s HIS 53 Ca 0.54 1.42 0.02 0.00 0.47 0.00 0.00 55.06 57.50 2xb2 s HIS 53 Cb -0.11 -2.85 0.58 0.00 -0.13 0.00 0.00 32.58 30.07 2xb2 s HIS 53 CO 0.50 -0.91 1.81 1.57 -2.47 0.00 0.00 174.74 175.24 2xb2 h LYS 54 N -0.05 0.84 0.00 2.88 2.10 -1.97 0.21 116.57 120.58 2xb2 h LYS 54 Ca -0.45 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.15 2xb2 h LYS 54 Cb 1.20 -0.19 0.00 0.00 -0.90 0.00 0.00 32.23 32.34 2xb2 h LYS 54 CO 0.59 0.55 0.00 0.66 -2.00 0.00 0.00 179.45 179.25 2xb2 h SER 55 N 0.86 0.00 0.00 7.07 4.64 -1.98 0.13 113.55 124.26 2xb2 h SER 55 Ca 0.50 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.82 2xb2 h SER 55 Cb 0.61 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.70 2xb2 h SER 55 CO -0.31 0.00 -0.01 0.58 -0.87 0.00 0.00 176.83 176.22 2xb2 h VAL 56 N 0.00 1.79 -0.73 0.95 2.07 -1.32 -2.17 116.25 116.84 2xb2 h VAL 56 Ca 0.00 -2.35 0.10 0.00 0.82 0.00 0.00 66.70 65.27 2xb2 h VAL 56 Cb 0.08 3.38 -0.07 0.00 -1.52 0.00 0.00 31.29 33.16 2xb2 h VAL 56 CO 0.00 0.61 0.37 0.24 0.02 0.00 0.00 177.57 178.81 2xb2 h MET 57 N -1.00 0.61 0.25 1.57 2.07 -1.12 0.47 114.93 117.78 2xb2 h MET 57 Ca -0.00 -0.04 0.01 0.00 -2.07 0.00 0.00 59.70 57.60 2xb2 h MET 57 Cb 1.00 -0.14 -0.03 0.00 -1.87 0.00 0.00 31.60 30.56 2xb2 h MET 57 CO -0.00 0.40 -0.35 0.93 1.07 0.00 0.00 176.91 178.96 2xb2 h GLU 58 N 0.63 -0.64 -0.47 1.72 4.39 -0.84 0.17 114.58 119.54 2xb2 h GLU 58 Ca 0.36 0.04 -0.01 0.00 0.34 0.00 0.00 59.36 60.09 2xb2 h GLU 58 Cb 0.38 0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.15 2xb2 h GLU 58 CO -0.27 -0.43 0.23 1.49 -1.16 0.00 0.00 179.01 178.88 2xb2 h GLU 59 N -0.67 0.64 -0.60 2.33 4.57 -0.68 -0.39 114.58 119.79 2xb2 h GLU 59 Ca -0.00 -0.07 -0.07 0.00 -1.18 0.00 0.00 59.36 58.04 2xb2 h GLU 59 Cb 0.64 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 29.07 2xb2 h GLU 59 CO -0.13 0.49 0.11 1.25 -1.18 0.00 0.00 179.01 179.56 2xb2 h LEU 60 N 0.65 0.90 -0.24 1.64 5.85 0.70 -1.73 115.31 123.08 2xb2 h LEU 60 Ca 0.16 -0.19 -0.06 0.00 0.84 0.00 0.00 57.88 58.63 2xb2 h LEU 60 Cb 0.05 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 2xb2 h LEU 60 CO -0.02 0.90 -0.09 0.50 -0.34 0.00 0.00 178.44 179.39 2xb2 h LYS 61 N 0.90 0.49 -0.91 1.25 3.64 0.61 -2.51 116.57 120.04 2xb2 h LYS 61 Ca 0.19 -0.20 0.15 0.00 -1.27 0.00 0.00 60.65 59.52 2xb2 h LYS 61 Cb 0.38 -0.02 -0.10 0.00 -0.41 0.00 0.00 32.23 32.08 2xb2 h LYS 61 CO 0.01 0.73 0.50 0.00 -2.27 0.00 0.00 179.45 178.43 2xb2 h ARG 62 N 0.22 0.69 -0.20 1.90 3.08 -0.67 0.11 114.38 119.50 2xb2 h ARG 62 Ca 0.06 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 2xb2 h ARG 62 Cb 0.57 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 2xb2 h ARG 62 CO 0.03 0.45 0.10 0.82 -1.07 0.00 0.00 179.97 180.31 2xb2 h ILE 63 N 0.71 1.12 -0.91 2.04 2.04 -1.10 0.04 117.51 121.45 2xb2 h ILE 63 Ca 0.49 -0.34 0.03 0.00 1.00 0.00 0.00 64.86 66.04 2xb2 h ILE 63 Cb 0.69 0.98 -0.05 0.00 -0.74 0.00 0.00 36.82 37.70 2xb2 h ILE 63 CO -0.35 0.12 0.59 0.40 0.00 0.00 0.00 178.15 178.90 2xb2 h ILE 64 N 0.21 1.16 0.55 -0.67 1.08 -0.82 -2.71 117.51 116.31 2xb2 h ILE 64 Ca 0.07 -0.40 -0.03 0.00 -0.39 0.00 0.00 64.86 64.12 2xb2 h ILE 64 Cb 0.10 -0.09 0.01 0.00 -3.07 0.00 0.00 36.82 33.76 2xb2 h ILE 64 CO -0.01 0.21 -0.26 0.44 -0.69 0.00 0.00 178.15 177.84 2xb2 h ASP 65 N 1.15 -0.62 0.00 1.72 3.32 -0.39 -3.04 116.42 118.56 2xb2 h ASP 65 Ca 0.36 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.43 2xb2 h ASP 65 Cb -0.02 0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.69 2xb2 h ASP 65 CO -0.11 -0.37 0.45 0.44 -1.72 0.00 0.00 179.24 177.93 2xb2 h ASP 66 N -0.89 0.00 1.09 6.45 3.32 -0.98 0.34 116.42 125.74 2xb2 h ASP 66 Ca -0.08 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.85 2xb2 h ASP 66 Cb 0.56 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.09 2xb2 h ASP 66 CO 0.12 0.00 -0.97 0.77 -1.72 0.00 0.00 179.24 177.45 2xb2 h SER 67 N 0.00 0.00 -5.91 6.45 4.64 -1.38 -3.48 113.55 113.87 2xb2 h SER 67 Ca 0.00 0.00 -0.39 0.00 -0.47 0.00 0.00 61.79 60.93 2xb2 h SER 67 Cb 0.90 0.00 0.10 0.00 -0.31 0.00 0.00 62.40 63.09 2xb2 h SER 67 CO 0.00 0.50 -0.75 -0.62 -0.87 0.00 0.00 176.83 175.09 2xb2 n GLU 68 N -3.03 -6.53 0.20 4.77 1.02 0.12 -4.88 120.64 112.32 2xb2 n GLU 68 Ca -0.04 0.76 0.09 0.00 -0.02 0.00 0.00 57.16 57.95 2xb2 n GLU 68 Cb 0.77 -5.67 0.20 0.00 -0.02 0.00 0.00 31.44 26.72 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 0.34 0.00 -3.67 6.09 -1.82 -3.05 117.51 113.23 2xb2 h ILE 69 Ca -0.59 -1.36 0.00 0.00 -1.37 0.00 0.00 64.86 61.54 2xb2 h ILE 69 Cb 1.36 2.07 0.00 0.00 0.47 0.00 0.00 36.82 40.71 2xb2 h ILE 69 CO 0.56 0.18 0.00 0.71 -3.07 0.00 0.00 178.15 176.53 2xb2 h THR 70 N 0.00 0.00 -0.37 2.19 1.35 -1.89 -2.05 112.91 112.14 2xb2 h THR 70 Ca -0.00 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 2xb2 h THR 70 Cb 1.05 1.30 0.00 0.00 -1.73 0.00 0.00 68.15 68.77 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 -3.02 1.94 -4.12 4.72 5.02 -1.15 -4.92 118.16 116.63 2xb2 n LYS 71 Ca -0.00 -1.45 -0.23 0.00 -2.02 0.00 0.00 58.31 54.60 2xb2 n LYS 71 Cb 0.22 -1.34 -0.06 0.00 -0.02 0.00 0.00 35.03 33.83 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 -1.51 2.38 0.01 1.97 0.41 -0.77 -5.15 118.70 116.04 2xb2 s GLU 72 Ca 0.29 -1.52 0.03 0.00 -0.41 0.00 0.00 54.97 53.36 2xb2 s GLU 72 Cb 0.15 -2.18 -0.01 0.00 -1.78 0.00 0.00 34.13 30.31 2xb2 s GLU 72 CO 0.21 0.14 -0.09 0.34 -0.49 0.00 0.00 175.26 175.37 2xb2 s ASP 73 N -3.83 1.04 -0.15 -0.19 2.15 -1.26 -5.04 116.67 109.39 2xb2 s ASP 73 Ca 0.37 -0.27 0.08 0.00 0.43 0.00 0.00 52.55 53.15 2xb2 s ASP 73 Cb -0.03 -0.08 0.48 0.00 -0.30 0.00 0.00 42.92 42.99 2xb2 s ASP 73 CO 0.22 0.03 1.25 -0.90 -0.17 0.00 0.00 175.17 175.61 2xb2 n ASP 74 N 2.44 3.76 0.18 -0.34 5.75 -1.26 -4.51 116.55 122.57 2xb2 n ASP 74 Ca -0.16 -2.57 -0.07 0.00 -0.01 0.00 0.00 54.79 51.97 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 3.06 -0.83 0.00 2.12 0.00 -1.96 -3.22 119.26 118.44 2xb2 h ALA 75 Ca 0.03 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2xb2 h ALA 75 Cb 1.42 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.40 2xb2 h ALA 75 CO 0.32 -0.79 0.00 1.28 0.00 0.00 0.00 179.25 180.06 2xb2 n LEU 76 N -3.74 0.48 -4.83 0.00 4.77 -1.26 -4.84 117.00 107.58 2xb2 n LEU 76 Ca -0.06 -0.24 -0.38 0.00 -0.03 0.00 0.00 56.01 55.31 2xb2 n LEU 76 Cb 0.19 -0.24 -0.06 0.00 -2.33 0.00 0.00 43.42 40.98 2xb2 n LEU 76 CO 0.15 0.12 0.17 0.26 -1.33 0.00 0.00 177.39 176.75 2xb2 s TRP 77 N -1.43 3.72 0.14 -1.77 0.52 -1.22 -3.81 118.94 115.10 2xb2 s TRP 77 Ca 0.00 1.06 -0.34 0.00 0.02 0.00 0.00 56.10 56.84 2xb2 s TRP 77 Cb 0.00 -2.35 -0.16 0.00 -1.15 0.00 0.00 33.47 29.82 2xb2 s TRP 77 CO 0.00 0.59 1.31 -2.30 0.02 0.00 0.00 176.95 176.57 2xb2 n PRO 78 N 1.57 1.36 -2.46 4.98 -0.02 -1.26 -4.94 135.00 134.23 2xb2 n PRO 78 Ca -0.11 0.49 -0.33 0.00 -2.02 0.00 0.00 63.50 61.52 2xb2 n PRO 78 Cb 0.52 -2.09 -0.03 0.00 -0.02 0.00 0.00 33.50 31.87 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 0.11 3.82 0.05 0.52 0.04 -1.26 -2.08 135.00 136.20 2xb2 s PRO 79 Ca 0.78 1.18 -0.36 0.00 0.04 0.00 0.00 61.00 62.63 2xb2 s PRO 79 Cb -0.85 -2.11 -0.15 0.00 0.04 0.00 0.00 34.50 31.42 2xb2 s PRO 79 CO 0.48 -0.39 1.50 -2.30 0.04 0.00 0.00 177.00 176.33 2xb2 n PRO 80 N -1.27 1.50 -2.73 0.56 -0.02 -1.26 -3.65 135.00 128.12 2xb2 n PRO 80 Ca 0.08 0.54 -0.09 0.00 -2.02 0.00 0.00 63.50 62.02 2xb2 n PRO 80 Cb 0.53 -2.24 -0.02 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 3.45 2.22 -0.29 2.55 5.68 -1.09 -4.86 116.55 124.21 2xb2 n ASP 81 Ca 0.19 -1.61 0.00 0.00 -0.50 0.00 0.00 54.79 52.87 2xb2 n ASP 81 Cb 0.22 0.12 0.13 0.00 -1.14 0.00 0.00 41.12 40.45 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 0.89 -0.57 0.11 9.65 -1.99 -2.05 114.38 120.42 2xb2 h ARG 82 Ca -0.11 -0.05 0.12 0.00 -1.10 0.00 0.00 59.98 58.83 2xb2 h ARG 82 Cb 0.35 -0.20 -0.10 0.00 -1.39 0.00 0.00 29.97 28.63 2xb2 h ARG 82 CO 0.19 0.59 -0.04 0.28 2.80 0.00 0.00 179.97 183.79 2xb2 h VAL 83 N 0.92 0.51 0.00 0.20 2.07 -1.96 -3.41 116.25 114.57 2xb2 h VAL 83 Ca 0.36 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.85 2xb2 h VAL 83 Cb 0.17 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 2xb2 h VAL 83 CO -0.17 0.02 0.00 0.61 0.02 0.00 0.00 177.57 178.04 2xb2 n GLY 84 N -1.36 -0.31 2.98 2.17 0.00 -0.77 -4.71 105.19 103.19 2xb2 n GLY 84 Ca 0.07 -1.11 -0.18 0.00 0.00 0.00 0.00 46.02 44.80 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 0.61 -0.01 1.61 3.52 -0.32 -2.67 118.95 119.69 2xb2 s ARG 85 Ca 0.00 -0.23 0.07 0.00 -0.13 0.00 0.00 55.73 55.44 2xb2 s ARG 85 Cb 0.00 -0.59 -0.02 0.00 -1.56 0.00 0.00 34.95 32.77 2xb2 s ARG 85 CO 0.00 0.12 -0.23 -0.65 -0.81 0.00 0.00 175.30 173.73 2xb2 s GLN 86 N -0.02 2.15 0.02 5.12 -0.21 0.33 -2.11 119.66 124.94 2xb2 s GLN 86 Ca 0.01 -0.91 0.02 0.00 0.02 0.00 0.00 55.36 54.50 2xb2 s GLN 86 Cb -0.04 -2.12 -0.01 0.00 1.00 0.00 0.00 33.01 31.83 2xb2 s GLN 86 CO -0.00 0.57 -0.08 -1.21 -2.12 0.00 0.00 175.29 172.45 2xb2 s GLU 87 N -0.80 0.56 -0.28 2.91 2.02 -0.23 -2.06 118.70 120.81 2xb2 s GLU 87 Ca 0.11 -0.46 -0.01 0.00 0.02 0.00 0.00 54.97 54.63 2xb2 s GLU 87 Cb -0.10 -0.48 0.13 0.00 0.10 0.00 0.00 34.13 33.79 2xb2 s GLU 87 CO 0.00 0.12 0.31 -1.17 0.02 0.00 0.00 175.26 174.54 2xb2 s LEU 88 N -0.74 -0.32 -0.26 1.80 2.96 -0.91 -1.93 118.68 119.27 2xb2 s LEU 88 Ca -0.02 -0.60 -0.10 0.00 -0.22 0.00 0.00 54.13 53.18 2xb2 s LEU 88 Cb -0.06 0.60 -0.05 0.00 0.50 0.00 0.00 46.19 47.19 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 2.39 3.96 -0.17 1.98 2.02 -0.47 -1.78 118.70 126.64 2xb2 s GLU 89 Ca 0.09 -0.32 0.01 0.00 0.02 0.00 0.00 54.97 54.77 2xb2 s GLU 89 Cb -0.14 -3.58 0.03 0.00 0.10 0.00 0.00 34.13 30.53 2xb2 s GLU 89 CO -0.30 -0.10 -0.13 0.42 0.02 0.00 0.00 175.26 175.17 2xb2 s ILE 90 N 1.50 1.63 -0.17 -1.63 1.01 -0.81 -0.82 121.20 121.91 2xb2 s ILE 90 Ca 0.07 -0.78 0.00 0.00 0.00 0.00 0.00 60.65 59.95 2xb2 s ILE 90 Cb -0.15 -1.58 0.01 0.00 0.01 0.00 0.00 42.46 40.74 2xb2 s ILE 90 CO 0.08 0.37 -0.17 -0.69 0.00 0.00 0.00 174.94 174.53 2xb2 s VAL 91 N 1.44 2.40 -0.14 2.92 1.01 0.13 -2.19 120.40 125.98 2xb2 s VAL 91 Ca 0.03 -0.84 0.01 0.00 0.00 0.00 0.00 61.98 61.18 2xb2 s VAL 91 Cb -0.14 -2.01 -0.00 0.00 0.00 0.00 0.00 36.38 34.22 2xb2 s VAL 91 CO -0.10 0.52 -0.16 -0.63 0.00 0.00 0.00 175.10 174.72 2xb2 s ILE 92 N 1.07 2.63 0.00 2.22 1.01 -0.34 -1.11 121.20 126.69 2xb2 s ILE 92 Ca -0.01 -0.80 0.00 0.00 0.00 0.00 0.00 60.65 59.85 2xb2 s ILE 92 Cb -0.14 -2.09 0.00 0.00 0.01 0.00 0.00 42.46 40.24 2xb2 s ILE 92 CO -0.06 0.53 0.00 0.61 0.00 0.00 0.00 174.94 176.02 2xb2 n GLY 93 N 3.83 3.30 0.89 6.18 0.00 -1.26 0.12 105.19 118.25 2xb2 n GLY 93 Ca -0.19 0.08 0.07 0.00 0.00 0.00 0.00 46.02 45.98 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 4.59 3.53 -4.51 1.61 9.92 -1.26 -4.79 116.55 125.64 2xb2 n ASP 94 Ca 0.00 -2.37 -0.43 0.00 -0.53 0.00 0.00 54.79 51.46 2xb2 n ASP 94 Cb 0.00 -0.39 -0.08 0.00 -0.64 0.00 0.00 41.12 40.02 2xb2 n ASP 94 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 2xb2 s GLU 95 N -1.67 3.25 -0.16 -1.24 2.12 0.33 -5.03 118.70 116.31 2xb2 s GLU 95 Ca 0.34 -0.51 -0.07 0.00 0.36 0.00 0.00 54.97 55.09 2xb2 s GLU 95 Cb 0.22 -3.94 -0.04 0.00 0.26 0.00 0.00 34.13 30.64 2xb2 s GLU 95 CO 0.16 -0.88 0.08 -1.58 -0.54 0.00 0.00 175.26 172.49 2xb2 s HIS 96 N 2.45 3.31 -0.04 5.30 5.65 -1.26 -1.19 115.29 129.51 2xb2 s HIS 96 Ca 0.17 0.19 -0.06 0.00 0.25 0.00 0.00 55.06 55.62 2xb2 s HIS 96 Cb -0.16 -2.03 0.01 0.00 -1.18 0.00 0.00 32.58 29.22 2xb2 s HIS 96 CO 0.16 0.30 0.14 -1.50 -0.65 0.00 0.00 174.74 173.19 2xb2 s ILE 97 N 0.00 0.03 0.21 0.89 2.07 -0.93 -5.04 121.20 118.43 2xb2 s ILE 97 Ca 0.07 -0.22 0.04 0.00 -1.41 0.00 0.00 60.65 59.13 2xb2 s ILE 97 Cb -0.12 -0.28 -0.05 0.00 0.13 0.00 0.00 42.46 42.14 2xb2 s ILE 97 CO 0.01 -0.12 -0.04 -0.44 -1.91 0.00 0.00 174.94 172.44 2xb2 s SER 98 N -0.37 1.91 0.03 4.50 0.01 -1.26 -1.93 113.70 116.58 2xb2 s SER 98 Ca -0.05 -1.16 -0.00 0.00 1.31 0.00 0.00 55.95 56.06 2xb2 s SER 98 Cb -0.03 -0.01 -0.03 0.00 0.21 0.00 0.00 66.02 66.16 2xb2 s SER 98 CO 0.01 -0.44 -0.03 -0.36 0.41 0.00 0.00 173.24 172.82 2xb2 s PHE 99 N -3.35 0.36 -0.23 2.43 0.08 -0.74 -4.76 117.98 111.77 2xb2 s PHE 99 Ca 0.25 -0.66 -0.23 0.00 0.12 0.00 0.00 56.93 56.41 2xb2 s PHE 99 Cb 0.04 -0.26 0.06 0.00 -0.57 0.00 0.00 43.02 42.30 2xb2 s PHE 99 CO 0.07 -0.23 0.65 0.99 -0.10 0.00 0.00 175.22 176.60 2xb2 s THR 100 N -2.07 0.00 -0.28 0.64 2.01 -1.26 -2.15 115.64 112.53 2xb2 s THR 100 Ca -0.10 -0.00 -0.35 0.00 0.31 0.00 0.00 61.69 61.55 2xb2 s THR 100 Cb -0.05 -0.90 0.17 0.00 0.01 0.00 0.00 72.50 71.72 2xb2 s THR 100 CO -0.03 -0.00 1.36 0.28 -0.69 0.00 0.00 174.62 175.53 2xb2 s THR 101 N 0.26 0.00 0.96 -0.82 -1.32 -0.88 -4.84 115.64 109.01 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 0.17 0.00 -1.51 0.00 0.00 72.50 70.11 2xb2 s THR 101 CO 0.01 0.00 1.09 -0.94 -2.21 0.00 0.00 174.62 172.57 2xb2 s SER 102 N -1.69 2.77 0.73 8.08 1.04 -0.88 0.12 113.70 123.87 2xb2 s SER 102 Ca 0.11 1.72 -0.16 0.00 0.48 0.00 0.00 55.95 58.10 2xb2 s SER 102 Cb -0.01 -2.34 0.02 0.00 0.10 0.00 0.00 66.02 63.79 2xb2 s SER 102 CO -0.04 -3.12 1.05 0.29 0.98 0.00 0.00 173.24 172.40 2xb2 n LYS 103 N -4.21 0.52 -3.84 4.02 5.02 -1.17 -4.59 118.16 113.92 2xb2 n LYS 103 Ca 0.08 0.24 -0.36 0.00 -2.02 0.00 0.00 58.31 56.24 2xb2 n LYS 103 Cb 0.54 -2.30 -0.13 0.00 -0.02 0.00 0.00 35.03 33.12 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 -1.82 3.79 0.00 -0.18 1.01 -1.26 -4.98 121.20 117.76 2xb2 s ILE 104 Ca 0.74 -0.36 -0.17 0.00 0.00 0.00 0.00 60.65 60.86 2xb2 s ILE 104 Cb -0.34 -2.75 -0.10 0.00 0.01 0.00 0.00 42.46 39.28 2xb2 s ILE 104 CO 0.49 0.38 0.89 1.23 0.00 0.00 0.00 174.94 177.93 2xb2 h GLY 105 N 8.17 -0.65 -0.14 6.18 0.00 -1.96 -3.49 103.07 111.18 2xb2 h GLY 105 Ca -0.40 0.24 -0.02 0.00 0.00 0.00 0.00 47.33 47.15 2xb2 h GLY 105 CO 0.59 -0.24 -0.00 -1.14 0.00 0.00 0.00 176.54 175.75 2xb2 n SER 106 N -4.43 -0.17 0.25 0.19 3.41 -1.26 -5.02 113.62 106.59 2xb2 n SER 106 Ca -0.08 -1.18 0.08 0.00 -0.26 0.00 0.00 58.87 57.43 2xb2 n SER 106 Cb 0.25 0.30 0.62 0.00 -0.26 0.00 0.00 64.21 65.11 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 -0.26 1.04 3.38 -2.00 -2.56 115.31 114.92 2xb2 h LEU 107 Ca -0.03 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.00 2xb2 h LEU 107 Cb 0.12 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.81 2xb2 h LEU 107 CO 0.04 0.06 -0.12 0.40 0.09 0.00 0.00 178.44 178.90 2xb2 h ILE 108 N 0.00 0.62 0.00 1.22 2.04 -1.98 0.64 117.51 120.04 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 0.10 0.62 -0.00 0.00 -0.74 0.00 0.00 36.82 36.80 2xb2 h ILE 108 CO 0.01 0.00 -0.03 0.44 0.00 0.00 0.00 178.15 178.57 2xb2 h ASP 109 N -0.08 0.00 0.39 1.72 3.32 -1.86 -2.31 116.42 117.59 2xb2 h ASP 109 Ca 0.14 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.92 2xb2 h ASP 109 Cb 0.29 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.85 2xb2 h ASP 109 CO -0.32 0.03 -1.15 0.58 -1.72 0.00 0.00 179.24 176.66 2xb2 h VAL 110 N 0.00 1.40 0.00 -1.35 2.07 -0.95 -3.14 116.25 114.29 2xb2 h VAL 110 Ca -0.00 -2.68 0.00 0.00 0.82 0.00 0.00 66.70 64.84 2xb2 h VAL 110 Cb 0.06 2.71 0.00 0.00 -1.52 0.00 0.00 31.29 32.54 2xb2 h VAL 110 CO 0.00 0.80 0.00 0.59 0.02 0.00 0.00 177.57 178.98 2xb2 n ASN 111 N -3.68 0.00 -0.55 0.57 3.02 -0.07 -2.49 115.26 112.06 2xb2 n ASN 111 Ca -0.10 -0.40 0.07 0.00 -0.03 0.00 0.00 54.58 54.13 2xb2 n ASN 111 Cb 0.95 -0.20 0.05 0.00 -0.61 0.00 0.00 39.78 39.98 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 -1.20 1.19 -1.42 3.52 6.02 -1.07 -4.92 117.38 119.49 2xb2 n GLN 112 Ca 0.17 -1.29 -0.30 0.00 -0.01 0.00 0.00 57.00 55.57 2xb2 n GLN 112 Cb 0.20 -1.27 0.09 0.00 1.02 0.00 0.00 30.24 30.28 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 -1.32 4.47 0.32 1.08 1.04 -1.04 -4.94 113.70 113.32 2xb2 s SER 113 Ca 0.17 1.52 0.05 0.00 0.48 0.00 0.00 55.95 58.17 2xb2 s SER 113 Cb 0.12 -2.27 0.53 0.00 0.10 0.00 0.00 66.02 64.50 2xb2 s SER 113 CO 0.21 -2.01 1.79 0.11 0.98 0.00 0.00 173.24 174.32 2xb2 h LYS 114 N -1.11 0.40 -2.29 4.02 1.57 -1.88 -3.31 116.57 113.96 2xb2 h LYS 114 Ca -0.46 -0.13 -0.59 0.00 -1.87 0.00 0.00 60.65 57.60 2xb2 h LYS 114 Cb 1.25 -0.04 -0.40 0.00 0.08 0.00 0.00 32.23 33.12 2xb2 h LYS 114 CO 0.56 0.59 -0.82 -3.47 -0.57 0.00 0.00 179.45 175.74 2xb2 n ASP 115 N -4.17 1.82 -0.13 0.86 2.03 -1.26 -4.98 116.55 110.72 2xb2 n ASP 115 Ca -0.00 -3.00 -0.08 0.00 0.52 0.00 0.00 54.79 52.23 2xb2 n ASP 115 Cb 0.35 -0.66 -0.00 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 4.52 0.55 -0.98 -0.67 0.13 -1.68 -1.79 132.00 132.08 2xb2 h PRO 116 Ca 0.16 -0.05 0.14 0.00 -0.87 0.00 0.00 66.00 65.38 2xb2 h PRO 116 Cb 0.79 -0.11 -0.08 0.00 0.13 0.00 0.00 31.00 31.72 2xb2 h PRO 116 CO 0.62 0.40 0.62 0.93 -0.23 0.00 0.00 178.00 180.34 2xb2 h GLU 117 N 0.53 0.86 -0.04 0.86 5.08 -1.94 -0.26 114.58 119.68 2xb2 h GLU 117 Ca 0.14 -0.05 -0.22 0.00 -1.00 0.00 0.00 59.36 58.23 2xb2 h GLU 117 Cb -0.00 -0.19 0.02 0.00 0.50 0.00 0.00 28.75 29.07 2xb2 h GLU 117 CO -0.03 0.57 -0.83 0.78 -1.00 0.00 0.00 179.01 178.50 2xb2 h GLY 118 N 0.89 0.70 2.00 -3.84 0.00 -1.91 -3.14 103.07 97.76 2xb2 h GLY 118 Ca 0.50 -1.15 -0.06 0.00 0.00 0.00 0.00 47.33 46.61 2xb2 h GLY 118 CO -0.26 1.02 -0.28 1.41 0.00 0.00 0.00 176.54 178.42 2xb2 h LEU 119 N 0.26 0.00 -0.10 3.11 3.38 -0.81 -2.24 115.31 118.91 2xb2 h LEU 119 Ca -0.09 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 2xb2 h LEU 119 Cb 1.49 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.24 2xb2 h LEU 119 CO 0.17 0.28 0.06 0.03 0.09 0.00 0.00 178.44 179.06 2xb2 h ARG 120 N 0.00 0.14 -0.48 1.13 3.08 -1.07 1.85 114.38 119.03 2xb2 h ARG 120 Ca -0.00 -0.02 0.08 0.00 0.07 0.00 0.00 59.98 60.11 2xb2 h ARG 120 Cb 0.55 -0.03 -0.07 0.00 0.08 0.00 0.00 29.97 30.50 2xb2 h ARG 120 CO 0.04 0.17 0.09 0.28 -1.07 0.00 0.00 179.97 179.47 2xb2 h VAL 121 N 0.07 0.72 0.11 2.04 2.07 -1.41 -0.46 116.25 119.39 2xb2 h VAL 121 Ca 0.04 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 2xb2 h VAL 121 Cb 0.07 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 2xb2 h VAL 121 CO -0.01 0.04 -0.05 0.15 0.02 0.00 0.00 177.57 177.72 2xb2 h PHE 122 N 0.22 -0.14 -0.30 1.57 3.57 -0.82 0.12 116.94 121.16 2xb2 h PHE 122 Ca 0.24 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.80 2xb2 h PHE 122 Cb 0.32 0.04 -0.08 0.00 2.79 0.00 0.00 35.95 39.03 2xb2 h PHE 122 CO -0.23 0.10 -0.38 -0.92 -2.23 0.00 0.00 178.31 174.65 2xb2 h TYR 123 N -0.36 -1.07 -0.18 0.41 3.20 0.34 -0.86 116.97 118.45 2xb2 h TYR 123 Ca -0.01 0.06 -0.16 0.00 3.14 0.00 0.00 58.73 61.75 2xb2 h TYR 123 Cb 0.30 0.51 0.00 0.00 1.54 0.00 0.00 36.73 39.09 2xb2 h TYR 123 CO -0.00 -0.42 -0.53 1.88 -1.64 0.00 0.00 178.16 177.44 2xb2 h TYR 124 N -0.35 0.88 -0.84 -3.82 0.05 -1.10 -2.80 116.97 108.98 2xb2 h TYR 124 Ca 0.13 -0.35 0.13 0.00 0.05 0.00 0.00 58.73 58.69 2xb2 h TYR 124 Cb 0.57 -0.15 -0.06 0.00 1.01 0.00 0.00 36.73 38.10 2xb2 h TYR 124 CO -0.53 1.14 0.55 1.25 -1.05 0.00 0.00 178.16 179.52 2xb2 h LEU 125 N 0.36 0.60 -0.61 3.88 5.85 -0.45 0.81 115.31 125.75 2xb2 h LEU 125 Ca -0.02 0.03 -0.11 0.00 0.84 0.00 0.00 57.88 58.62 2xb2 h LEU 125 Cb 1.15 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.08 2xb2 h LEU 125 CO 0.11 0.32 -0.12 0.58 -0.34 0.00 0.00 178.44 178.99 2xb2 h VAL 126 N 0.64 1.27 0.50 1.05 2.07 -1.07 -1.64 116.25 119.07 2xb2 h VAL 126 Ca 0.41 -1.27 -0.02 0.00 0.82 0.00 0.00 66.70 66.64 2xb2 h VAL 126 Cb 0.69 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 2xb2 h VAL 126 CO -0.17 0.44 -0.24 1.56 0.02 0.00 0.00 177.57 179.18 2xb2 h GLN 127 N 0.87 -0.65 -0.56 1.57 4.20 -0.67 -1.50 115.11 118.37 2xb2 h GLN 127 Ca 0.13 0.04 0.16 0.00 0.06 0.00 0.00 58.65 59.05 2xb2 h GLN 127 Cb 0.67 0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.58 2xb2 h GLN 127 CO 0.05 -0.38 0.43 -0.44 -0.67 0.00 0.00 178.83 177.81 2xb2 h ASP 128 N -0.77 0.00 -0.04 1.46 3.32 -0.92 0.01 116.42 119.48 2xb2 h ASP 128 Ca -0.07 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.87 2xb2 h ASP 128 Cb 0.56 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.12 2xb2 h ASP 128 CO 0.11 0.00 -0.41 -0.07 -1.72 0.00 0.00 179.24 177.15 2xb2 h LEU 129 N 0.00 0.43 -0.63 1.55 3.38 -0.90 -2.90 115.31 116.24 2xb2 h LEU 129 Ca 0.27 -0.71 -0.01 0.00 0.09 0.00 0.00 57.88 57.52 2xb2 h LEU 129 Cb 1.12 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.72 2xb2 h LEU 129 CO -0.00 1.07 0.35 0.11 0.09 0.00 0.00 178.44 180.06 2xb2 h LYS 130 N -0.18 0.88 -0.63 1.13 1.57 -0.16 -1.15 116.57 118.03 2xb2 h LYS 130 Ca -0.04 -0.10 0.13 0.00 -1.87 0.00 0.00 60.65 58.77 2xb2 h LYS 130 Cb 1.10 -0.17 -0.11 0.00 0.08 0.00 0.00 32.23 33.13 2xb2 h LYS 130 CO 0.08 0.66 -0.10 0.00 -0.57 0.00 0.00 179.45 179.53 2xb2 h LEU 132 N 0.04 -0.35 -0.97 0.00 5.85 -1.25 -2.92 115.31 115.72 2xb2 h LEU 132 Ca 0.31 -0.19 0.13 0.00 0.84 0.00 0.00 57.88 58.97 2xb2 h LEU 132 Cb 0.49 0.09 -0.09 0.00 0.37 0.00 0.00 40.66 41.53 2xb2 h LEU 132 CO -0.61 0.07 0.59 0.58 -0.34 0.00 0.00 178.44 178.73 2xb2 h VAL 133 N -0.85 0.87 -0.59 1.05 2.07 -0.90 -1.14 116.25 116.76 2xb2 h VAL 133 Ca -0.04 -0.31 -0.09 0.00 0.82 0.00 0.00 66.70 67.08 2xb2 h VAL 133 Cb 0.52 -0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.16 2xb2 h VAL 133 CO 0.07 0.16 0.03 -0.26 0.02 0.00 0.00 177.57 177.59 2xb2 h PHE 134 N 0.90 1.09 -0.31 1.57 0.04 -0.65 -0.65 116.94 118.92 2xb2 h PHE 134 Ca 0.49 -0.17 -0.09 0.00 2.80 0.00 0.00 57.97 61.00 2xb2 h PHE 134 Cb 0.55 -0.29 -0.01 0.00 2.20 0.00 0.00 35.95 38.39 2xb2 h PHE 134 CO -0.02 0.95 -0.20 0.77 -0.60 0.00 0.00 178.31 179.21 2xb2 h SER 135 N 0.93 0.57 0.18 2.17 0.02 -1.15 0.35 113.55 116.62 2xb2 h SER 135 Ca 0.17 -0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 2xb2 h SER 135 Cb 0.50 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.89 2xb2 h SER 135 CO 0.02 0.78 -0.09 -0.07 -1.14 0.00 0.00 176.83 176.34 2xb2 h LEU 136 N 0.51 -0.20 -0.44 5.07 3.38 -0.91 0.89 115.31 123.61 2xb2 h LEU 136 Ca 0.08 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2xb2 h LEU 136 Cb 0.63 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.44 2xb2 h LEU 136 CO 0.04 -0.07 0.00 2.30 0.09 0.00 0.00 178.44 180.80 2xb2 n ILE 137 N -3.02 1.28 0.01 1.22 -6.64 -0.28 -1.71 119.36 110.21 2xb2 n ILE 137 Ca -0.03 0.42 -0.02 0.00 -1.77 0.00 0.00 62.75 61.36 2xb2 n ILE 137 Cb 0.09 -1.34 -0.01 0.00 -1.44 0.00 0.00 39.64 36.95 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 1.17 -0.12 2.00 3.28 0.00 -0.18 -3.07 103.07 106.15 2xb2 h GLY 138 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.38 2xb2 h GLY 138 CO 0.00 -0.05 0.00 1.41 0.00 0.00 0.00 176.54 177.90 2xb2 h LEU 139 N -0.94 0.00 0.00 3.11 3.38 -0.62 -2.27 115.31 117.96 2xb2 h LEU 139 Ca -0.01 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 2xb2 h LEU 139 Cb 0.09 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 2xb2 h LEU 139 CO 0.02 0.00 -1.20 -0.74 0.09 0.00 0.00 178.44 176.61 2xb2 h HIS 140 N 0.00 0.00 0.00 1.13 2.76 -1.45 -3.43 115.15 114.17 2xb2 h HIS 140 Ca 0.00 0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.12 2xb2 h HIS 140 Cb 0.35 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.30 2xb2 h HIS 140 CO 0.00 0.31 -1.17 1.19 -1.30 0.00 0.00 177.93 176.96 2xb2 n PHE 141 N -2.80 0.00 -2.50 5.26 3.72 -1.16 -5.05 117.46 114.92 2xb2 n PHE 141 Ca -0.05 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.93 2xb2 n PHE 141 Cb 0.71 -0.12 -0.03 0.00 -0.94 0.00 0.00 39.48 39.10 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 4.48 -0.10 -1.08 2.20 -0.87 -5.03 119.74 117.29 2xb2 s LYS 142 Ca -0.03 1.68 -0.30 0.00 -0.36 0.00 0.00 55.97 56.96 2xb2 s LYS 142 Cb 0.01 -3.37 -0.01 0.00 -1.51 0.00 0.00 37.83 32.95 2xb2 s LYS 142 CO 0.08 -0.17 1.01 0.42 -0.36 0.00 0.00 175.35 176.33 2xb2 s ILE 143 N 0.90 4.77 -0.03 5.43 1.01 -1.26 -4.85 121.20 127.17 2xb2 s ILE 143 Ca 0.56 2.03 -0.33 0.00 0.00 0.00 0.00 60.65 62.91 2xb2 s ILE 143 Cb -0.27 -4.31 -0.12 0.00 0.01 0.00 0.00 42.46 37.77 2xb2 s ILE 143 CO 0.30 0.01 1.85 1.17 0.00 0.00 0.00 174.94 178.26 2xb2 n LYS 144 N 4.99 2.30 -0.26 2.79 4.81 -1.26 -4.85 118.16 126.68 2xb2 n LYS 144 Ca 0.09 0.84 -0.01 0.00 -0.87 0.00 0.00 58.31 58.36 2xb2 n LYS 144 Cb 0.49 -2.69 0.11 0.00 0.02 0.00 0.00 35.03 32.96 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 8.92 0.79 -0.00 1.64 0.11 -2.05 -3.57 132.00 137.83 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 1.26 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2xb2 h PRO 145 CO 0.94 0.52 0.00 -0.89 -0.21 0.00 0.00 178.00 178.36