#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b5u s LEU 2 N 0.00 4.58 -0.02 0.99 2.96 -0.24 -2.51 118.68 124.44 2b5u s LEU 2 Ca 0.00 1.98 -0.00 0.00 -0.22 0.00 0.00 54.13 55.89 2b5u s LEU 2 Cb 0.00 -3.61 0.02 0.00 0.50 0.00 0.00 46.19 43.10 2b5u s LEU 2 CO 0.00 0.01 0.04 -0.54 -1.32 0.00 0.00 176.35 174.54 2b5u s LYS 3 N -0.85 -0.01 -0.20 1.98 1.02 0.88 0.29 119.74 122.85 2b5u s LYS 3 Ca 0.44 0.15 -0.26 0.00 0.02 0.00 0.00 55.97 56.32 2b5u s LYS 3 Cb -0.27 -0.16 -0.01 0.00 -0.52 0.00 0.00 37.83 36.88 2b5u s LYS 3 CO 0.33 -0.11 0.89 -0.51 -0.92 0.00 0.00 175.35 175.02 2b5u s LEU 4 N 0.73 4.13 -0.58 3.17 1.02 -1.26 -1.12 118.68 124.77 2b5u s LEU 4 Ca -0.06 1.19 -0.12 0.00 0.02 0.00 0.00 54.13 55.16 2b5u s LEU 4 Cb -0.09 -3.30 0.15 0.00 0.02 0.00 0.00 46.19 42.97 2b5u s LEU 4 CO -0.02 -0.50 0.50 -0.62 0.02 0.00 0.00 176.35 175.72 2b5u s ASP 5 N 1.23 6.07 -0.07 2.29 2.15 -0.30 -1.65 116.67 126.39 2b5u s ASP 5 Ca 0.39 -2.10 -0.19 0.00 0.43 0.00 0.00 52.55 51.07 2b5u s ASP 5 Cb -0.16 -2.11 -0.05 0.00 -0.30 0.00 0.00 42.92 40.30 2b5u s ASP 5 CO 0.10 -0.71 0.54 -0.22 -0.17 0.00 0.00 175.17 174.71 2b5u s LEU 6 N 1.10 4.34 0.04 -1.34 2.96 -0.36 -2.29 118.68 123.13 2b5u s LEU 6 Ca 0.08 0.99 0.02 0.00 -0.22 0.00 0.00 54.13 55.01 2b5u s LEU 6 Cb -0.24 -2.82 -0.02 0.00 0.50 0.00 0.00 46.19 43.61 2b5u s LEU 6 CO -0.01 0.04 -0.08 0.42 -1.32 0.00 0.00 176.35 175.39 2b5u s THR 7 N 0.26 0.59 0.00 3.68 -4.23 -0.17 -0.65 115.64 115.13 2b5u s THR 7 Ca 0.29 -1.09 -0.07 0.00 -1.18 0.00 0.00 61.69 59.65 2b5u s THR 7 Cb -0.17 -0.65 0.00 0.00 1.34 0.00 0.00 72.50 73.03 2b5u s THR 7 CO 0.14 -0.36 0.13 -1.66 -0.54 0.00 0.00 174.62 172.33 2b5u s TRP 8 N -1.35 0.05 0.12 3.99 -2.14 -0.73 -0.80 118.94 118.07 2b5u s TRP 8 Ca -0.09 -0.14 0.04 0.00 2.66 0.00 0.00 56.10 58.57 2b5u s TRP 8 Cb -0.10 -0.05 -0.04 0.00 -3.10 0.00 0.00 33.47 30.18 2b5u s TRP 8 CO 0.01 -0.27 -0.11 -0.06 -2.66 0.00 0.00 176.95 173.86 2b5u s PHE 9 N -1.33 1.17 0.09 1.66 0.40 0.33 -1.62 117.98 118.68 2b5u s PHE 9 Ca -0.14 -0.68 -0.31 0.00 -0.60 0.00 0.00 56.93 55.20 2b5u s PHE 9 Cb -0.07 -0.62 -0.08 0.00 0.51 0.00 0.00 43.02 42.76 2b5u s PHE 9 CO 0.01 0.04 1.49 0.34 0.70 0.00 0.00 175.22 177.80 2b5u s ASP 10 N -2.68 6.74 0.61 1.36 -1.08 -0.57 -0.16 116.67 120.89 2b5u s ASP 10 Ca 0.09 2.36 0.32 0.00 -0.52 0.00 0.00 52.55 54.81 2b5u s ASP 10 Cb -0.01 -2.58 1.85 0.00 -1.46 0.00 0.00 42.92 40.72 2b5u s ASP 10 CO 0.00 -0.75 2.19 0.50 0.52 0.00 0.00 175.17 177.63 2b5u h LYS 11 N 7.41 0.00 0.00 4.34 3.64 -1.30 0.26 116.57 130.93 2b5u h LYS 11 Ca -0.41 0.00 -0.41 0.00 -1.27 0.00 0.00 60.65 58.55 2b5u h LYS 11 Cb 1.20 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.96 2b5u h LYS 11 CO 0.90 0.00 -2.41 -1.13 -2.27 0.00 0.00 179.45 174.54 2b5u n SER 12 N -3.63 1.85 0.18 4.20 3.41 -1.26 -4.61 113.62 113.75 2b5u n SER 12 Ca -0.01 0.23 0.12 0.00 -0.26 0.00 0.00 58.87 58.95 2b5u n SER 12 Cb 0.20 -0.68 0.13 0.00 -0.26 0.00 0.00 64.21 63.60 2b5u n SER 12 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 2b5u h THR 13 N -0.75 0.00 -0.02 6.66 1.35 -1.96 -3.47 112.91 114.73 2b5u h THR 13 Ca -0.62 -0.96 -0.01 0.00 -0.55 0.00 0.00 66.41 64.26 2b5u h THR 13 Cb 1.61 1.80 -0.00 0.00 -1.73 0.00 0.00 68.15 69.83 2b5u h THR 13 CO -0.34 0.00 -0.01 -0.62 -0.25 0.00 0.00 175.52 174.31 2b5u n GLU 14 N -2.91 -1.36 -2.58 4.72 1.02 0.93 -4.97 120.64 115.49 2b5u n GLU 14 Ca 0.03 0.36 -0.36 0.00 -0.02 0.00 0.00 57.16 57.17 2b5u n GLU 14 Cb 0.53 -4.39 -0.04 0.00 -0.02 0.00 0.00 31.44 27.52 2b5u n GLU 14 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2b5u s ASP 15 N -2.02 6.74 0.31 1.62 1.01 -1.26 -4.63 116.67 118.45 2b5u s ASP 15 Ca 0.00 1.98 -0.29 0.00 0.71 0.00 0.00 52.55 54.94 2b5u s ASP 15 Cb 0.00 -2.58 -0.11 0.00 1.01 0.00 0.00 42.92 41.24 2b5u s ASP 15 CO 0.00 -0.50 1.54 0.12 0.21 0.00 0.00 175.17 176.54 2b5u s PHE 16 N -1.75 2.74 0.00 4.23 2.19 -1.26 -1.51 117.98 122.63 2b5u s PHE 16 Ca 0.59 0.94 0.00 0.00 0.33 0.00 0.00 56.93 58.79 2b5u s PHE 16 Cb -0.20 -4.02 0.00 0.00 -1.31 0.00 0.00 43.02 37.50 2b5u s PHE 16 CO 0.25 -3.26 0.00 1.63 1.83 0.00 0.00 175.22 175.67 2b5u n LYS 17 N 1.65 0.90 0.00 10.12 5.02 -0.64 -4.85 118.16 130.35 2b5u n LYS 17 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 2b5u n LYS 17 Cb 0.38 -0.92 0.00 0.00 -0.02 0.00 0.00 35.03 34.47 2b5u n LYS 17 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2b5u n GLY 18 N 2.16 1.29 3.36 0.72 0.00 -1.17 -5.00 105.19 106.56 2b5u n GLY 18 Ca 0.00 -0.98 -0.15 0.00 0.00 0.00 0.00 46.02 44.89 2b5u n GLY 18 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2b5u s GLU 19 N -2.00 0.77 -0.12 1.61 2.12 -1.26 -1.78 118.70 118.04 2b5u s GLU 19 Ca 0.00 0.16 -0.12 0.00 0.36 0.00 0.00 54.97 55.37 2b5u s GLU 19 Cb 0.00 0.36 0.03 0.00 0.26 0.00 0.00 34.13 34.78 2b5u s GLU 19 CO 0.00 -0.20 0.33 -2.00 -0.54 0.00 0.00 175.26 172.85 2b5u s GLU 20 N -0.91 0.41 -0.20 4.30 2.12 0.18 -5.00 118.70 119.61 2b5u s GLU 20 Ca -0.10 0.40 -0.07 0.00 0.36 0.00 0.00 54.97 55.57 2b5u s GLU 20 Cb -0.03 0.20 -0.04 0.00 0.26 0.00 0.00 34.13 34.52 2b5u s GLU 20 CO 0.05 -0.06 0.05 0.71 -0.54 0.00 0.00 175.26 175.48 2b5u s TYR 21 N 0.04 3.18 1.13 5.30 1.51 -1.26 -1.22 117.35 126.03 2b5u s TYR 21 Ca -0.01 -0.08 -0.17 0.00 -1.01 0.00 0.00 57.07 55.80 2b5u s TYR 21 Cb -0.03 -2.10 0.25 0.00 -0.11 0.00 0.00 41.96 39.97 2b5u s TYR 21 CO 0.01 0.01 1.14 -1.54 -1.11 0.00 0.00 175.55 174.06 2b5u s SER 22 N 0.67 1.58 1.19 2.29 1.04 -0.66 -4.99 113.70 114.81 2b5u s SER 22 Ca 0.03 0.68 -0.15 0.00 0.48 0.00 0.00 55.95 56.98 2b5u s SER 22 Cb -0.13 -0.98 0.28 0.00 0.10 0.00 0.00 66.02 65.29 2b5u s SER 22 CO 0.02 -3.72 1.03 -1.59 0.98 0.00 0.00 173.24 169.96 2b5u s LYS 23 N -5.40 -1.10 -0.14 4.02 -2.85 -1.26 -4.63 119.74 108.38 2b5u s LYS 23 Ca 0.70 0.49 -0.23 0.00 -1.00 0.00 0.00 55.97 55.93 2b5u s LYS 23 Cb -0.10 -1.56 -0.03 0.00 -2.06 0.00 0.00 37.83 34.08 2b5u s LYS 23 CO 0.56 -3.75 0.70 0.34 0.10 0.00 0.00 175.35 173.30 2b5u s ASP 24 N -3.04 6.85 0.00 0.03 2.15 -1.26 -4.53 116.67 116.88 2b5u s ASP 24 Ca 0.68 1.04 0.25 0.00 0.43 0.00 0.00 52.55 54.95 2b5u s ASP 24 Cb -0.19 -2.39 0.90 0.00 -0.30 0.00 0.00 42.92 40.93 2b5u s ASP 24 CO 0.61 -0.25 1.65 0.49 -0.17 0.00 0.00 175.17 177.50 2b5u n PHE 25 N 4.63 0.09 -0.68 -5.34 3.01 0.14 -4.91 117.46 114.40 2b5u n PHE 25 Ca -0.00 -0.04 0.00 0.00 1.01 0.00 0.00 57.45 58.42 2b5u n PHE 25 Cb 0.50 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.97 2b5u n PHE 25 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2b5u n GLY 26 N 1.17 2.49 1.73 1.37 0.00 -1.26 -1.91 105.19 108.78 2b5u n GLY 26 Ca 0.18 -0.33 0.08 0.00 0.00 0.00 0.00 46.02 45.95 2b5u n GLY 26 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2b5u n ASP 27 N 5.11 5.18 -4.38 1.61 8.00 -1.26 -1.08 116.55 129.72 2b5u n ASP 27 Ca 0.00 -2.65 -0.45 0.00 0.71 0.00 0.00 54.79 52.40 2b5u n ASP 27 Cb 0.00 -0.63 -0.04 0.00 -0.02 0.00 0.00 41.12 40.43 2b5u n ASP 27 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2b5u s ASP 28 N -0.83 6.26 -0.22 -2.24 2.15 -0.80 -4.87 116.67 116.12 2b5u s ASP 28 Ca 0.53 -1.56 0.15 0.00 0.43 0.00 0.00 52.55 52.10 2b5u s ASP 28 Cb 0.37 -2.31 0.81 0.00 -0.30 0.00 0.00 42.92 41.48 2b5u s ASP 28 CO 0.21 -1.09 1.73 0.61 -0.17 0.00 0.00 175.17 176.46 2b5u n GLY 29 N 5.21 2.98 0.42 2.66 0.00 -1.26 -4.56 105.19 110.64 2b5u n GLY 29 Ca -0.05 -0.92 0.24 0.00 0.00 0.00 0.00 46.02 45.29 2b5u n GLY 29 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2b5u h SER 30 N 3.99 0.01 -0.79 1.61 4.64 -1.98 0.14 113.55 121.17 2b5u h SER 30 Ca 0.00 0.00 0.12 0.00 -0.47 0.00 0.00 61.79 61.44 2b5u h SER 30 Cb 1.89 -0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.93 2b5u h SER 30 CO 0.45 0.00 0.52 0.58 -0.87 0.00 0.00 176.83 177.51 2b5u h VAL 31 N 0.01 0.89 -0.15 0.95 2.07 -2.00 0.17 116.25 118.18 2b5u h VAL 31 Ca 0.33 -0.21 -0.14 0.00 0.82 0.00 0.00 66.70 67.50 2b5u h VAL 31 Cb 1.32 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 2b5u h VAL 31 CO -0.01 0.11 -0.50 0.24 0.02 0.00 0.00 177.57 177.44 2b5u h MET 32 N 0.63 0.40 -0.33 1.57 2.86 -1.03 -2.81 114.93 116.22 2b5u h MET 32 Ca 0.38 -0.23 -0.05 0.00 -2.06 0.00 0.00 59.70 57.73 2b5u h MET 32 Cb 0.60 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.26 2b5u h MET 32 CO -0.14 0.81 -0.02 0.93 1.06 0.00 0.00 176.91 179.55 2b5u h GLU 33 N 0.32 0.51 -0.02 1.72 5.08 -0.72 0.50 114.58 121.96 2b5u h GLU 33 Ca 0.01 -0.11 -0.09 0.00 -1.00 0.00 0.00 59.36 58.17 2b5u h GLU 33 Cb 1.00 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.16 2b5u h GLU 33 CO 0.09 0.55 -0.42 0.77 -1.00 0.00 0.00 179.01 179.00 2b5u h SER 34 N 0.49 0.05 0.38 1.42 0.02 -1.04 -1.82 113.55 113.05 2b5u h SER 34 Ca 0.10 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 2b5u h SER 34 Cb 0.35 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.87 2b5u h SER 34 CO 0.01 0.47 -0.27 0.18 -1.14 0.00 0.00 176.83 176.08 2b5u n LEU 35 N -4.03 0.70 -1.29 5.07 4.77 -0.78 -4.93 117.00 116.51 2b5u n LEU 35 Ca -0.02 -0.09 -0.10 0.00 -0.03 0.00 0.00 56.01 55.78 2b5u n LEU 35 Cb 0.46 -0.19 0.01 0.00 -2.33 0.00 0.00 43.42 41.36 2b5u n LEU 35 CO 0.40 0.14 -0.05 0.61 -1.33 0.00 0.00 177.39 177.16 2b5u n GLY 36 N 1.38 0.08 3.30 -0.72 0.00 -0.36 -5.01 105.19 103.85 2b5u n GLY 36 Ca 0.11 -0.43 -0.38 0.00 0.00 0.00 0.00 46.02 45.31 2b5u n GLY 36 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2b5u s VAL 37 N -2.66 3.95 0.43 1.61 1.01 0.02 -5.01 120.40 119.75 2b5u s VAL 37 Ca 0.07 -1.06 -0.25 0.00 0.00 0.00 0.00 61.98 60.74 2b5u s VAL 37 Cb -0.03 -3.22 -0.09 0.00 0.00 0.00 0.00 36.38 33.03 2b5u s VAL 37 CO 0.09 -0.18 1.29 -2.65 0.00 0.00 0.00 175.10 173.66 2b5u n PRO 38 N 4.85 1.96 -0.21 2.72 -0.02 -1.26 -4.36 135.00 138.69 2b5u n PRO 38 Ca -0.12 0.70 -0.07 0.00 -2.02 0.00 0.00 63.50 61.99 2b5u n PRO 38 Cb 0.45 -2.42 0.07 0.00 -0.02 0.00 0.00 33.50 31.58 2b5u n PRO 38 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 2b5u h PHE 39 N 2.09 1.10 -1.38 6.00 0.04 -1.98 -3.40 116.94 119.41 2b5u h PHE 39 Ca -0.48 -0.15 -0.75 0.00 2.80 0.00 0.00 57.97 59.39 2b5u h PHE 39 Cb 1.29 -0.30 0.01 0.00 2.20 0.00 0.00 35.95 39.15 2b5u h PHE 39 CO 0.48 0.94 0.95 1.17 -0.60 0.00 0.00 178.31 181.24 2b5u n LYS 40 N -4.21 0.98 -1.86 1.51 4.81 -1.26 -1.67 118.16 116.45 2b5u n LYS 40 Ca 0.04 0.35 -0.17 0.00 -0.87 0.00 0.00 58.31 57.66 2b5u n LYS 40 Cb 0.29 -2.05 -0.05 0.00 0.02 0.00 0.00 35.03 33.25 2b5u n LYS 40 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2b5u n ASP 41 N 5.72 -4.70 0.00 3.14 8.00 -1.26 -4.78 116.55 122.67 2b5u n ASP 41 Ca 0.29 0.28 0.00 0.00 0.71 0.00 0.00 54.79 56.08 2b5u n ASP 41 Cb 0.11 -4.11 0.00 0.00 -0.02 0.00 0.00 41.12 37.10 2b5u n ASP 41 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2b5u n ASN 42 N -1.33 2.84 -4.72 -2.24 3.02 -0.67 -4.72 115.26 107.44 2b5u n ASN 42 Ca -0.18 -0.11 -0.41 0.00 -0.03 0.00 0.00 54.58 53.85 2b5u n ASN 42 Cb 0.60 0.78 -0.04 0.00 -0.61 0.00 0.00 39.78 40.51 2b5u n ASN 42 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2b5u s VAL 43 N -1.35 4.87 -1.39 2.41 1.01 -1.18 -3.06 120.40 121.71 2b5u s VAL 43 Ca 0.00 1.81 -0.02 0.00 0.00 0.00 0.00 61.98 63.78 2b5u s VAL 43 Cb 0.00 -4.21 0.01 0.00 0.00 0.00 0.00 36.38 32.18 2b5u s VAL 43 CO 0.00 0.23 0.13 0.59 0.00 0.00 0.00 175.10 176.05 2b5u n ASN 44 N 3.62 -4.85 -3.03 3.32 3.02 -0.09 -4.89 115.26 112.36 2b5u n ASN 44 Ca 0.02 0.00 -0.18 0.00 -0.03 0.00 0.00 54.58 54.40 2b5u n ASN 44 Cb 0.51 -4.05 -0.02 0.00 -0.61 0.00 0.00 39.78 35.61 2b5u n ASN 44 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2b5u n ASN 45 N -2.02 -0.87 0.00 6.41 5.15 -1.17 -5.08 115.26 117.68 2b5u n ASN 45 Ca -0.16 -2.95 0.00 0.00 -0.60 0.00 0.00 54.58 50.86 2b5u n ASN 45 Cb 0.63 0.26 0.00 0.00 -0.53 0.00 0.00 39.78 40.14 2b5u n ASN 45 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2b5u n GLY 46 N 1.36 2.96 3.64 8.20 0.00 -1.26 -4.55 105.19 115.55 2b5u n GLY 46 Ca 0.17 -1.84 -0.35 0.00 0.00 0.00 0.00 46.02 44.00 2b5u n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b5u s PHE 48 N -0.54 2.83 0.30 0.00 0.40 0.52 -4.88 117.98 116.61 2b5u s PHE 48 Ca 0.09 -0.33 -0.30 0.00 -0.60 0.00 0.00 56.93 55.79 2b5u s PHE 48 Cb -0.12 -1.77 -0.12 0.00 0.51 0.00 0.00 43.02 41.52 2b5u s PHE 48 CO 0.02 0.03 1.54 -0.25 0.70 0.00 0.00 175.22 177.26 2b5u n ASP 49 N 2.93 3.62 -4.43 1.36 9.92 -1.26 -1.25 116.55 127.44 2b5u n ASP 49 Ca -0.18 1.16 -0.44 0.00 -0.53 0.00 0.00 54.79 54.81 2b5u n ASP 49 Cb 0.53 -1.57 -0.04 0.00 -0.64 0.00 0.00 41.12 39.40 2b5u n ASP 49 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2b5u s VAL 50 N -0.22 4.48 0.62 2.53 1.01 -0.51 -4.86 120.40 123.44 2b5u s VAL 50 Ca 0.63 -0.60 -0.14 0.00 0.00 0.00 0.00 61.98 61.86 2b5u s VAL 50 Cb -0.52 -4.64 -0.03 0.00 0.00 0.00 0.00 36.38 31.20 2b5u s VAL 50 CO 0.51 -1.37 1.05 0.27 0.00 0.00 0.00 175.10 175.57 2b5u s ILE 51 N 3.61 3.95 0.21 2.22 -4.36 -1.26 -4.74 121.20 120.83 2b5u s ILE 51 Ca 0.20 0.83 -0.11 0.00 -0.26 0.00 0.00 60.65 61.31 2b5u s ILE 51 Cb -0.18 -3.42 0.20 0.00 1.25 0.00 0.00 42.46 40.30 2b5u s ILE 51 CO 0.08 -0.64 1.66 0.00 0.24 0.00 0.00 174.94 176.29 2b5u h ALA 52 N 0.13 0.61 0.00 2.27 0.00 -2.01 -0.33 119.26 119.93 2b5u h ALA 52 Ca -0.46 0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2b5u h ALA 52 Cb 1.21 0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.33 2b5u h ALA 52 CO 0.58 -0.39 0.00 -0.85 0.00 0.00 0.00 179.25 178.58 2b5u n GLU 53 N -5.28 0.12 0.04 0.00 0.00 -1.26 -1.70 120.64 112.56 2b5u n GLU 53 Ca 0.09 0.60 -0.03 0.00 0.00 0.00 0.00 57.16 57.82 2b5u n GLU 53 Cb 0.36 -1.89 -0.09 0.00 0.00 0.00 0.00 31.44 29.82 2b5u n GLU 53 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.13 175.64 2b5u h TRP 54 N 0.00 0.00 -0.57 -1.84 4.06 -1.42 -3.40 115.95 112.79 2b5u h TRP 54 Ca 0.00 0.00 0.11 0.00 2.06 0.00 0.00 58.89 61.06 2b5u h TRP 54 Cb 0.03 0.00 -0.10 0.00 -1.00 0.00 0.00 29.16 28.08 2b5u h TRP 54 CO 0.00 0.76 -0.10 0.28 -3.56 0.00 0.00 178.44 175.82 2b5u h VAL 55 N 0.00 0.46 0.00 1.49 2.07 -1.36 0.20 116.25 119.12 2b5u h VAL 55 Ca -0.15 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 2b5u h VAL 55 Cb 1.71 0.43 -0.00 0.00 -1.52 0.00 0.00 31.29 31.91 2b5u h VAL 55 CO 0.07 0.01 -0.05 -0.65 0.02 0.00 0.00 177.57 176.96 2b5u h PRO 56 N 0.03 0.00 0.00 1.57 0.11 -1.76 0.19 132.00 132.14 2b5u h PRO 56 Ca 0.28 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 66.26 2b5u h PRO 56 Cb 0.43 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.52 2b5u h PRO 56 CO -0.55 0.05 -0.82 -0.07 -0.21 0.00 0.00 178.00 176.40 2b5u h LEU 57 N 0.00 0.00 0.00 2.35 4.07 -0.91 -3.40 115.31 117.42 2b5u h LEU 57 Ca -0.00 0.00 -0.37 0.00 0.08 0.00 0.00 57.88 57.59 2b5u h LEU 57 Cb 0.12 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 41.79 2b5u h LEU 57 CO 0.01 0.56 -2.41 0.18 -1.08 0.00 0.00 178.44 175.70 2b5u n LEU 58 N -3.13 2.41 -0.43 1.67 4.77 -0.09 -4.56 117.00 117.64 2b5u n LEU 58 Ca -0.02 -0.11 0.35 0.00 -0.03 0.00 0.00 56.01 56.20 2b5u n LEU 58 Cb 0.78 -0.62 0.64 0.00 -2.33 0.00 0.00 43.42 41.90 2b5u n LEU 58 CO 0.42 0.84 1.26 -0.61 -1.33 0.00 0.00 177.39 177.97 2b5u h GLN 59 N 0.00 0.13 0.00 3.23 5.75 -1.17 0.25 115.11 123.30 2b5u h GLN 59 Ca -0.55 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 57.94 2b5u h GLN 59 Cb 1.93 -0.03 0.00 0.00 1.07 0.00 0.00 27.48 30.45 2b5u h GLN 59 CO -0.06 0.09 0.00 -2.30 -2.65 0.00 0.00 178.83 173.90 2b5u n PRO 60 N -4.57 0.03 -0.05 -2.39 -0.02 -1.26 -2.38 135.00 124.35 2b5u n PRO 60 Ca 0.34 0.48 0.07 0.00 -2.02 0.00 0.00 63.50 62.37 2b5u n PRO 60 Cb 1.34 -1.58 0.09 0.00 -0.02 0.00 0.00 33.50 33.32 2b5u n PRO 60 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2b5u n TYR 61 N -1.64 0.13 -4.74 6.00 4.01 0.88 -5.00 117.16 116.81 2b5u n TYR 61 Ca 0.00 -0.12 -0.24 0.00 -0.16 0.00 0.00 57.90 57.39 2b5u n TYR 61 Cb 0.04 -0.01 -0.15 0.00 -0.31 0.00 0.00 39.34 38.91 2b5u n TYR 61 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 2b5u s PHE 62 N -1.08 1.42 0.03 -0.72 0.08 -1.00 -4.48 117.98 112.23 2b5u s PHE 62 Ca 0.18 -0.28 0.19 0.00 0.12 0.00 0.00 56.93 57.14 2b5u s PHE 62 Cb 0.12 -0.92 0.53 0.00 -0.57 0.00 0.00 43.02 42.18 2b5u s PHE 62 CO 0.17 -0.04 1.66 -0.91 -0.10 0.00 0.00 175.22 176.00 2b5u h ASN 63 N 5.80 0.00 -3.84 1.36 2.35 -1.94 -3.44 115.58 115.87 2b5u h ASN 63 Ca -0.35 0.00 -0.50 0.00 -0.55 0.00 0.00 56.30 54.90 2b5u h ASN 63 Cb 1.16 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.54 2b5u h ASN 63 CO 0.49 0.37 0.44 -2.28 -1.65 0.00 0.00 177.43 174.79 2b5u s HIS 64 N -3.38 3.57 -0.67 1.19 2.46 -1.26 -4.98 115.29 112.22 2b5u s HIS 64 Ca 0.02 1.72 -0.18 0.00 0.47 0.00 0.00 55.06 57.09 2b5u s HIS 64 Cb 0.09 -3.19 0.13 0.00 -0.13 0.00 0.00 32.58 29.49 2b5u s HIS 64 CO 0.69 -0.39 0.75 -0.65 -2.47 0.00 0.00 174.74 172.67 2b5u s GLN 65 N -1.69 3.20 -0.20 2.88 1.11 -1.26 -5.01 119.66 118.68 2b5u s GLN 65 Ca 0.47 -1.61 -0.40 0.00 0.01 0.00 0.00 55.36 53.84 2b5u s GLN 65 Cb -0.28 -4.38 -0.16 0.00 -1.01 0.00 0.00 33.01 27.18 2b5u s GLN 65 CO 0.36 -1.51 1.65 -0.89 0.01 0.00 0.00 175.29 174.91 2b5u n ILE 66 N 5.25 0.24 -3.81 1.08 5.41 -1.26 -4.93 119.36 121.33 2b5u n ILE 66 Ca -0.02 -0.04 -0.29 0.00 1.00 0.00 0.00 62.75 63.40 2b5u n ILE 66 Cb 0.44 -1.12 -0.12 0.00 -0.71 0.00 0.00 39.64 38.12 2b5u n ILE 66 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2b5u s ASP 67 N 2.88 4.09 0.00 4.38 3.68 -1.26 -4.94 116.67 125.49 2b5u s ASP 67 Ca 0.96 -3.39 0.17 0.00 2.13 0.00 0.00 52.55 52.41 2b5u s ASP 67 Cb -1.05 -1.38 1.01 0.00 -1.45 0.00 0.00 42.92 40.04 2b5u s ASP 67 CO 0.62 -0.15 1.43 2.30 0.13 0.00 0.00 175.17 179.50 2b5u n ILE 68 N 2.56 0.00 0.06 4.11 -5.35 -1.26 -1.62 119.36 117.86 2b5u n ILE 68 Ca 0.16 0.00 -0.10 0.00 -0.27 0.00 0.00 62.75 62.54 2b5u n ILE 68 Cb 0.36 -0.62 -0.13 0.00 -1.74 0.00 0.00 39.64 37.51 2b5u n ILE 68 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 2b5u h SER 69 N 0.00 0.12 0.00 7.28 0.02 -2.01 -3.38 113.55 115.58 2b5u h SER 69 Ca 0.00 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 2b5u h SER 69 Cb 0.00 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.50 2b5u h SER 69 CO 0.00 1.11 -1.19 0.47 -1.14 0.00 0.00 176.83 176.08 2b5u n ASP 70 N -3.36 3.40 -4.47 3.07 8.00 -1.10 -5.00 116.55 117.09 2b5u n ASP 70 Ca -0.05 -0.05 -0.23 0.00 0.71 0.00 0.00 54.79 55.17 2b5u n ASP 70 Cb 0.98 1.25 -0.10 0.00 -0.02 0.00 0.00 41.12 43.22 2b5u n ASP 70 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 2b5u s ASN 71 N -2.59 2.96 -0.09 -2.24 0.01 -0.64 -0.87 114.94 111.48 2b5u s ASN 71 Ca -0.02 -1.24 0.02 0.00 -0.71 0.00 0.00 52.86 50.90 2b5u s ASN 71 Cb 0.04 -0.21 -0.02 0.00 0.41 0.00 0.00 41.25 41.47 2b5u s ASN 71 CO 0.24 -0.38 -0.13 -1.61 -1.51 0.00 0.00 177.10 173.71 2b5u s GLU 72 N -3.74 2.94 0.16 -0.60 2.02 0.78 -4.34 118.70 115.92 2b5u s GLU 72 Ca 0.32 -0.68 0.09 0.00 0.02 0.00 0.00 54.97 54.72 2b5u s GLU 72 Cb 0.05 -2.52 -0.04 0.00 0.10 0.00 0.00 34.13 31.72 2b5u s GLU 72 CO 0.14 0.43 -0.16 0.71 0.02 0.00 0.00 175.26 176.40 2b5u s TYR 73 N -0.22 2.54 -0.01 1.61 1.51 -1.26 -0.51 117.35 121.01 2b5u s TYR 73 Ca 0.01 -0.26 -0.05 0.00 -1.01 0.00 0.00 57.07 55.76 2b5u s TYR 73 Cb -0.13 -1.29 0.00 0.00 -0.11 0.00 0.00 41.96 40.43 2b5u s TYR 73 CO 0.03 0.46 0.11 -0.06 -1.11 0.00 0.00 175.55 174.97 2b5u s PHE 74 N -1.46 0.03 0.00 2.71 0.40 0.02 -1.43 117.98 118.26 2b5u s PHE 74 Ca 0.21 -0.08 0.01 0.00 -0.60 0.00 0.00 56.93 56.47 2b5u s PHE 74 Cb -0.09 -0.05 -0.00 0.00 0.51 0.00 0.00 43.02 43.38 2b5u s PHE 74 CO 0.12 -0.21 -0.02 0.54 0.70 0.00 0.00 175.22 176.35 2b5u s VAL 75 N -1.02 0.16 0.16 -0.44 0.11 -0.38 -1.00 120.40 118.00 2b5u s VAL 75 Ca -0.11 -0.18 0.08 0.00 -2.93 0.00 0.00 61.98 58.84 2b5u s VAL 75 Cb -0.06 -0.16 -0.04 0.00 -1.53 0.00 0.00 36.38 34.59 2b5u s VAL 75 CO 0.01 -0.02 -0.17 -0.94 -3.33 0.00 0.00 175.10 170.64 2b5u s SER 76 N -0.21 2.57 -0.58 3.54 1.04 -0.97 -0.36 113.70 118.72 2b5u s SER 76 Ca -0.01 -0.86 -0.07 0.00 0.48 0.00 0.00 55.95 55.49 2b5u s SER 76 Cb -0.02 -0.14 0.15 0.00 0.10 0.00 0.00 66.02 66.11 2b5u s SER 76 CO -0.00 -0.05 0.44 -0.36 0.98 0.00 0.00 173.24 174.24 2b5u s PHE 77 N -2.08 3.50 0.03 5.02 0.08 -1.26 -1.15 117.98 122.12 2b5u s PHE 77 Ca 0.15 -2.27 -0.21 0.00 0.12 0.00 0.00 56.93 54.72 2b5u s PHE 77 Cb -0.05 -3.41 -0.06 0.00 -0.57 0.00 0.00 43.02 38.92 2b5u s PHE 77 CO 0.06 -0.93 0.61 -0.51 -0.10 0.00 0.00 175.22 174.35 2b5u s ASP 78 N 1.75 7.05 -0.06 1.36 1.01 -0.28 -0.91 116.67 126.60 2b5u s ASP 78 Ca 0.12 1.25 0.01 0.00 0.71 0.00 0.00 52.55 54.63 2b5u s ASP 78 Cb -0.21 -2.38 0.02 0.00 1.01 0.00 0.00 42.92 41.36 2b5u s ASP 78 CO -0.04 0.15 -0.05 -0.47 0.21 0.00 0.00 175.17 174.98 2b5u s TYR 79 N -0.50 0.85 -0.01 4.23 6.14 -1.26 -0.08 117.35 126.72 2b5u s TYR 79 Ca 0.31 -0.27 0.00 0.00 0.64 0.00 0.00 57.07 57.75 2b5u s TYR 79 Cb -0.19 -0.77 0.01 0.00 0.42 0.00 0.00 41.96 41.43 2b5u s TYR 79 CO 0.19 -0.25 0.01 1.03 0.64 0.00 0.00 175.55 177.17 2b5u s ARG 80 N 1.13 0.04 0.30 4.97 0.52 -1.04 -4.95 118.95 119.91 2b5u s ARG 80 Ca -0.08 0.05 -0.29 0.00 -0.52 0.00 0.00 55.73 54.89 2b5u s ARG 80 Cb -0.14 -0.13 -0.12 0.00 0.52 0.00 0.00 34.95 35.08 2b5u s ARG 80 CO -0.01 -0.05 1.40 -0.25 0.02 0.00 0.00 175.30 176.41 2b5u n ASP 81 N 3.45 3.03 -0.11 0.23 10.43 -1.26 0.71 116.55 133.04 2b5u n ASP 81 Ca -0.18 1.18 0.00 0.00 2.57 0.00 0.00 54.79 58.36 2b5u n ASP 81 Cb 0.56 -1.50 0.00 0.00 1.84 0.00 0.00 41.12 42.03 2b5u n ASP 81 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2b5u n GLY 82 N 1.41 0.27 3.86 0.44 0.00 -1.26 -4.57 105.19 105.34 2b5u n GLY 82 Ca 0.07 -0.94 -0.31 0.00 0.00 0.00 0.00 46.02 44.84 2b5u n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2b5u s ASP 83 N -4.00 6.43 0.00 1.61 1.01 -1.26 -0.57 116.67 119.89 2b5u s ASP 83 Ca 0.00 1.42 0.00 0.00 0.71 0.00 0.00 52.55 54.68 2b5u s ASP 83 Cb 0.00 -2.46 0.00 0.00 1.01 0.00 0.00 42.92 41.47 2b5u s ASP 83 CO 0.00 -0.68 0.00 -2.67 0.21 0.00 0.00 175.17 172.03