#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bc4 s VAL 4 N 0.00 1.20 0.08 -4.37 1.01 -1.26 -5.01 120.40 112.06 2bc4 s VAL 4 Ca 0.00 -0.84 0.04 0.00 0.00 0.00 0.00 61.98 61.19 2bc4 s VAL 4 Cb 0.00 -1.04 -0.03 0.00 0.00 0.00 0.00 36.38 35.31 2bc4 s VAL 4 CO 0.00 0.19 -0.12 0.00 0.00 0.00 0.00 175.10 175.17 2bc4 s ALA 5 N -0.59 1.12 0.06 5.51 0.00 -1.26 -0.76 121.76 125.84 2bc4 s ALA 5 Ca 0.04 -1.08 0.06 0.00 0.00 0.00 0.00 51.96 50.98 2bc4 s ALA 5 Cb -0.07 -0.03 -0.03 0.00 0.00 0.00 0.00 23.12 22.99 2bc4 s ALA 5 CO 0.00 0.06 -0.16 -1.01 0.00 0.00 0.00 175.76 174.65 2bc4 s HIS 6 N -1.83 1.43 -0.41 0.00 3.76 -0.27 -4.97 115.29 113.00 2bc4 s HIS 6 Ca 0.01 -0.39 0.03 0.00 -0.15 0.00 0.00 55.06 54.56 2bc4 s HIS 6 Cb -0.07 -0.82 0.16 0.00 1.11 0.00 0.00 32.58 32.96 2bc4 s HIS 6 CO 0.01 0.08 0.32 0.08 -0.85 0.00 0.00 174.74 174.38 2bc4 s VAL 7 N -1.00 0.37 -0.17 -0.90 1.01 -1.26 -1.41 120.40 117.04 2bc4 s VAL 7 Ca 0.03 -2.50 -0.08 0.00 0.00 0.00 0.00 61.98 59.42 2bc4 s VAL 7 Cb -0.09 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.98 2bc4 s VAL 7 CO 0.02 -1.18 0.10 -0.70 0.00 0.00 0.00 175.10 173.34 2bc4 s GLU 8 N 0.22 3.87 0.01 2.72 2.12 -0.43 -4.96 118.70 122.26 2bc4 s GLU 8 Ca 0.30 -0.25 0.07 0.00 0.36 0.00 0.00 54.97 55.44 2bc4 s GLU 8 Cb -0.02 -3.26 -0.03 0.00 0.26 0.00 0.00 34.13 31.09 2bc4 s GLU 8 CO -0.16 0.43 -0.20 -1.12 -0.54 0.00 0.00 175.26 173.67 2bc4 s SER 9 N -0.03 3.58 0.02 -1.70 0.01 -1.26 -1.12 113.70 113.20 2bc4 s SER 9 Ca 0.08 -0.41 0.02 0.00 1.31 0.00 0.00 55.95 56.95 2bc4 s SER 9 Cb -0.12 -0.55 -0.01 0.00 0.21 0.00 0.00 66.02 65.55 2bc4 s SER 9 CO 0.00 0.29 -0.07 0.42 0.41 0.00 0.00 173.24 174.30 2bc4 s THR 10 N -0.79 0.50 -0.05 1.44 -4.23 -0.68 -4.98 115.64 106.84 2bc4 s THR 10 Ca 0.12 -0.66 0.03 0.00 -1.18 0.00 0.00 61.69 60.00 2bc4 s THR 10 Cb -0.10 -0.50 0.01 0.00 1.34 0.00 0.00 72.50 73.25 2bc4 s THR 10 CO 0.02 -0.13 -0.12 0.00 -0.54 0.00 0.00 174.62 173.85 2bc4 s LEU 12 N 0.47 3.49 0.12 0.00 1.43 -0.77 -4.99 118.68 118.44 2bc4 s LEU 12 Ca -0.10 -0.61 0.05 0.00 -1.03 0.00 0.00 54.13 52.43 2bc4 s LEU 12 Cb -0.14 -1.82 -0.04 0.00 0.03 0.00 0.00 46.19 44.22 2bc4 s LEU 12 CO 0.03 -0.13 -0.11 -0.76 0.23 0.00 0.00 176.35 175.61 2bc4 s LEU 13 N 1.48 2.45 0.00 1.79 1.02 -1.26 0.21 118.68 124.37 2bc4 s LEU 13 Ca 0.03 -0.88 0.00 0.00 0.02 0.00 0.00 54.13 53.30 2bc4 s LEU 13 Cb -0.16 -0.38 0.13 0.00 0.02 0.00 0.00 46.19 45.80 2bc4 s LEU 13 CO 0.00 -0.26 0.92 -0.90 0.02 0.00 0.00 176.35 176.14 2bc4 n ASP 14 N 0.28 1.27 -0.02 2.29 5.68 -1.06 -4.91 116.55 120.08 2bc4 n ASP 14 Ca -0.14 -2.06 0.23 0.00 -0.50 0.00 0.00 54.79 52.31 2bc4 n ASP 14 Cb 0.59 -0.60 0.72 0.00 -1.14 0.00 0.00 41.12 40.69 2bc4 n ASP 14 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 2bc4 h ASP 15 N -0.54 0.00 1.26 -1.12 3.32 -1.95 -0.81 116.42 116.58 2bc4 h ASP 15 Ca -0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.74 2bc4 h ASP 15 Cb 1.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.68 2bc4 h ASP 15 CO 0.33 0.00 -0.38 0.00 -1.72 0.00 0.00 179.24 177.47 2bc4 h ALA 16 N 1.63 0.77 0.00 3.45 0.00 -1.97 -3.44 119.26 119.69 2bc4 h ALA 16 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2bc4 h ALA 16 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2bc4 h ALA 16 CO -0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2bc4 n GLY 17 N 1.27 1.02 3.65 0.00 0.00 -0.31 -4.94 105.19 105.87 2bc4 n GLY 17 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 2bc4 n GLY 17 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bc4 s THR 18 N -2.00 4.59 -0.04 2.61 2.01 -1.26 -4.75 115.64 116.80 2bc4 s THR 18 Ca 0.00 1.88 -0.30 0.00 0.31 0.00 0.00 61.69 63.59 2bc4 s THR 18 Cb 0.00 -4.35 -0.06 0.00 0.01 0.00 0.00 72.50 68.10 2bc4 s THR 18 CO 0.00 -0.32 1.63 -2.16 -0.69 0.00 0.00 174.62 173.08 2bc4 s PRO 19 N 3.42 4.19 -0.16 4.92 0.04 -1.26 -2.56 135.00 143.59 2bc4 s PRO 19 Ca 0.45 2.18 0.16 0.00 0.04 0.00 0.00 61.00 63.83 2bc4 s PRO 19 Cb -0.14 -3.90 -0.23 0.00 0.04 0.00 0.00 34.50 30.27 2bc4 s PRO 19 CO 0.11 -0.81 0.09 1.63 0.04 0.00 0.00 177.00 178.06 2bc4 n LYS 20 N 6.81 1.06 -3.90 4.56 4.76 0.13 -4.99 118.16 126.59 2bc4 n LYS 20 Ca 0.17 -0.02 -0.08 0.00 -2.87 0.00 0.00 58.31 55.51 2bc4 n LYS 20 Cb 0.43 -1.45 -0.03 0.00 -1.84 0.00 0.00 35.03 32.13 2bc4 n LYS 20 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2bc4 s ASP 21 N -5.09 -0.20 -0.28 4.39 2.15 -1.01 -4.98 116.67 111.65 2bc4 s ASP 21 Ca -0.09 -0.71 -0.20 0.00 0.43 0.00 0.00 52.55 51.98 2bc4 s ASP 21 Cb 0.06 0.69 0.11 0.00 -0.30 0.00 0.00 42.92 43.48 2bc4 s ASP 21 CO 0.73 -1.30 0.87 0.12 -0.17 0.00 0.00 175.17 175.42 2bc4 s PHE 22 N -3.91 -0.72 0.12 -5.34 5.36 -1.26 -1.85 117.98 110.37 2bc4 s PHE 22 Ca 0.14 1.56 0.04 0.00 -0.96 0.00 0.00 56.93 57.71 2bc4 s PHE 22 Cb -0.04 0.42 -0.04 0.00 -0.34 0.00 0.00 43.02 43.01 2bc4 s PHE 22 CO 0.08 -0.36 -0.10 0.95 -1.46 0.00 0.00 175.22 174.33 2bc4 s THR 23 N 0.98 1.01 -0.25 0.12 -4.23 -0.49 -4.98 115.64 107.81 2bc4 s THR 23 Ca -0.05 -1.85 -0.02 0.00 -1.18 0.00 0.00 61.69 58.60 2bc4 s THR 23 Cb -0.05 -1.60 0.13 0.00 1.34 0.00 0.00 72.50 72.32 2bc4 s THR 23 CO -0.11 -0.67 0.33 -0.47 -0.54 0.00 0.00 174.62 173.16 2bc4 s TYR 24 N -2.93 -0.65 0.04 3.99 6.14 -1.26 -1.69 117.35 120.99 2bc4 s TYR 24 Ca 0.11 0.47 0.05 0.00 0.64 0.00 0.00 57.07 58.34 2bc4 s TYR 24 Cb 0.00 -0.17 -0.02 0.00 0.42 0.00 0.00 41.96 42.19 2bc4 s TYR 24 CO -0.00 -0.75 -0.14 0.00 0.64 0.00 0.00 175.55 175.30 2bc4 s ILE 26 N -0.86 3.69 0.14 0.00 1.09 0.03 -1.31 121.20 123.98 2bc4 s ILE 26 Ca 0.01 -0.45 0.05 0.00 -1.10 0.00 0.00 60.65 59.16 2bc4 s ILE 26 Cb -0.08 -2.57 -0.04 0.00 -1.06 0.00 0.00 42.46 38.71 2bc4 s ILE 26 CO 0.01 0.54 -0.11 -0.44 -0.10 0.00 0.00 174.94 174.84 2bc4 s SER 27 N -0.06 1.80 -0.12 3.58 0.01 -0.50 -1.78 113.70 116.63 2bc4 s SER 27 Ca 0.00 -0.97 -0.07 0.00 1.31 0.00 0.00 55.95 56.22 2bc4 s SER 27 Cb -0.13 -0.02 0.05 0.00 0.21 0.00 0.00 66.02 66.12 2bc4 s SER 27 CO 0.03 -0.30 0.29 0.12 0.41 0.00 0.00 173.24 173.78 2bc4 s PHE 28 N -3.11 -0.38 -1.46 2.43 5.36 -0.71 -1.11 117.98 119.00 2bc4 s PHE 28 Ca 0.15 0.88 -0.08 0.00 -0.96 0.00 0.00 56.93 56.92 2bc4 s PHE 28 Cb 0.01 0.10 0.03 0.00 -0.34 0.00 0.00 43.02 42.82 2bc4 s PHE 28 CO 0.01 -0.24 0.89 -1.71 -1.46 0.00 0.00 175.22 172.71 2bc4 n ASN 29 N 4.02 -5.87 -2.22 6.13 5.15 0.06 -1.61 115.26 120.92 2bc4 n ASN 29 Ca -0.23 -0.47 -0.20 0.00 -0.60 0.00 0.00 54.58 53.09 2bc4 n ASN 29 Cb 0.54 -4.68 -0.01 0.00 -0.53 0.00 0.00 39.78 35.10 2bc4 n ASN 29 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 2bc4 n LYS 30 N -4.51 -1.56 -4.08 1.20 4.81 -1.26 -4.98 118.16 107.78 2bc4 n LYS 30 Ca -0.03 0.95 -0.33 0.00 -0.87 0.00 0.00 58.31 58.03 2bc4 n LYS 30 Cb 0.58 -5.54 -0.15 0.00 0.02 0.00 0.00 35.03 29.94 2bc4 n LYS 30 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 2bc4 s ASP 31 N -2.12 3.74 -0.14 3.14 -1.08 -0.63 -5.08 116.67 114.50 2bc4 s ASP 31 Ca 0.00 -0.94 -0.29 0.00 -0.52 0.00 0.00 52.55 50.80 2bc4 s ASP 31 Cb 0.00 -1.53 -0.04 0.00 -1.46 0.00 0.00 42.92 39.89 2bc4 s ASP 31 CO 0.00 -0.08 1.60 -0.22 0.52 0.00 0.00 175.17 176.99 2bc4 s LEU 32 N 1.23 4.11 -0.24 -1.34 2.96 -1.26 -1.73 118.68 122.41 2bc4 s LEU 32 Ca -0.01 1.92 -0.11 0.00 -0.22 0.00 0.00 54.13 55.71 2bc4 s LEU 32 Cb -0.16 -3.53 -0.11 0.00 0.50 0.00 0.00 46.19 42.89 2bc4 s LEU 32 CO -0.09 -1.06 -0.31 0.18 -1.32 0.00 0.00 176.35 173.75 2bc4 n LEU 33 N 7.70 1.79 -3.73 -0.68 4.77 -0.73 -3.78 117.00 122.32 2bc4 n LEU 33 Ca 0.18 0.27 -0.13 0.00 -0.03 0.00 0.00 56.01 56.30 2bc4 n LEU 33 Cb 0.44 -0.72 -0.10 0.00 -2.33 0.00 0.00 43.42 40.71 2bc4 n LEU 33 CO 0.63 0.53 0.07 0.28 -1.33 0.00 0.00 177.39 177.56 2bc4 s THR 34 N -2.45 -0.00 0.23 -5.08 -1.32 -1.10 0.11 115.64 106.04 2bc4 s THR 34 Ca -0.34 0.01 0.05 0.00 -1.21 0.00 0.00 61.69 60.20 2bc4 s THR 34 Cb 0.13 -0.56 -0.05 0.00 -1.51 0.00 0.00 72.50 70.51 2bc4 s THR 34 CO 0.43 0.00 -0.04 0.00 -2.21 0.00 0.00 174.62 172.81 2bc4 s TRP 36 N -3.29 3.44 -0.48 0.00 -0.11 -0.45 -1.35 118.94 116.70 2bc4 s TRP 36 Ca 0.27 1.42 -0.02 0.00 1.22 0.00 0.00 56.10 58.99 2bc4 s TRP 36 Cb 0.05 -3.42 0.13 0.00 -1.50 0.00 0.00 33.47 28.72 2bc4 s TRP 36 CO 0.08 -1.18 0.28 0.34 -4.62 0.00 0.00 176.95 171.86 2bc4 s ASP 37 N 0.23 5.15 0.15 5.86 3.68 0.37 -4.82 116.67 127.28 2bc4 s ASP 37 Ca 0.53 -2.39 -0.30 0.00 2.13 0.00 0.00 52.55 52.52 2bc4 s ASP 37 Cb -0.32 -1.81 -0.06 0.00 -1.45 0.00 0.00 42.92 39.28 2bc4 s ASP 37 CO 0.35 -0.45 1.55 -0.65 0.13 0.00 0.00 175.17 176.10 2bc4 h PRO 38 N 7.56 -0.16 -0.76 4.34 0.11 -1.95 0.66 132.00 141.81 2bc4 h PRO 38 Ca -0.08 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.04 2bc4 h PRO 38 Cb 1.00 0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.15 2bc4 h PRO 38 CO 0.69 -0.10 0.00 -0.85 -0.21 0.00 0.00 178.00 177.53 2bc4 n GLU 39 N -5.32 0.64 0.00 1.05 0.28 -1.26 -1.66 120.64 114.37 2bc4 n GLU 39 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.01 2bc4 n GLU 39 Cb 0.31 -1.30 0.00 0.00 1.43 0.00 0.00 31.44 31.88 2bc4 n GLU 39 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 2bc4 n GLU 40 N 0.26 1.64 -3.94 3.44 4.07 0.11 -5.06 120.64 121.16 2bc4 n GLU 40 Ca 0.00 0.00 -0.28 0.00 -0.06 0.00 0.00 57.16 56.82 2bc4 n GLU 40 Cb 0.19 -0.14 -0.01 0.00 -0.06 0.00 0.00 31.44 31.42 2bc4 n GLU 40 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 2bc4 n ASN 41 N 0.00 -1.31 -3.70 4.31 3.02 0.21 -4.96 115.26 112.83 2bc4 n ASN 41 Ca 0.00 -1.05 -0.03 0.00 -0.03 0.00 0.00 54.58 53.47 2bc4 n ASN 41 Cb 0.00 -2.91 -0.01 0.00 -0.61 0.00 0.00 39.78 36.25 2bc4 n ASN 41 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 2bc4 s LYS 42 N -6.57 1.01 -0.20 3.52 -2.85 -1.21 -4.99 119.74 108.45 2bc4 s LYS 42 Ca 0.12 -0.54 -0.22 0.00 -1.00 0.00 0.00 55.97 54.32 2bc4 s LYS 42 Cb -0.05 0.36 -0.02 0.00 -2.06 0.00 0.00 37.83 36.06 2bc4 s LYS 42 CO 0.90 -0.46 0.71 -1.64 0.10 0.00 0.00 175.35 174.96 2bc4 s MET 43 N -3.12 4.23 -0.05 1.78 -1.94 -1.26 -0.48 119.30 118.46 2bc4 s MET 43 Ca 0.12 0.77 0.06 0.00 -1.71 0.00 0.00 55.69 54.92 2bc4 s MET 43 Cb -0.00 -3.59 -0.01 0.00 2.01 0.00 0.00 34.83 33.24 2bc4 s MET 43 CO -0.00 -0.30 -0.24 0.00 -0.01 0.00 0.00 175.02 174.46 2bc4 s ALA 44 N 2.10 2.09 0.27 3.03 0.00 -0.46 -4.76 121.76 124.02 2bc4 s ALA 44 Ca 0.32 -1.01 -0.30 0.00 0.00 0.00 0.00 51.96 50.97 2bc4 s ALA 44 Cb -0.16 -0.64 -0.14 0.00 0.00 0.00 0.00 23.12 22.18 2bc4 s ALA 44 CO 0.11 0.41 1.21 -2.30 0.00 0.00 0.00 175.76 175.19 2bc4 n PRO 45 N 2.92 1.68 -0.02 0.00 -0.02 -1.26 -2.56 135.00 135.74 2bc4 n PRO 45 Ca -0.17 0.59 0.02 0.00 -2.02 0.00 0.00 63.50 61.92 2bc4 n PRO 45 Cb 0.52 -2.11 -0.09 0.00 -0.02 0.00 0.00 33.50 31.80 2bc4 n PRO 45 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2bc4 s GLU 47 N -2.58 4.13 -0.11 0.00 2.56 -1.09 -4.95 118.70 116.66 2bc4 s GLU 47 Ca -0.05 -0.14 0.16 0.00 0.00 0.00 0.00 54.97 54.94 2bc4 s GLU 47 Cb 0.06 -3.50 0.24 0.00 2.00 0.00 0.00 34.13 32.92 2bc4 s GLU 47 CO 0.45 0.11 1.12 1.19 -0.56 0.00 0.00 175.26 177.58 2bc4 n PHE 48 N 4.08 0.00 -0.46 5.30 3.72 -1.26 -4.17 117.46 124.67 2bc4 n PHE 48 Ca -0.14 -0.88 0.00 0.00 -0.05 0.00 0.00 57.45 56.38 2bc4 n PHE 48 Cb 0.52 -0.13 0.00 0.00 -0.94 0.00 0.00 39.48 38.93 2bc4 n PHE 48 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2bc4 n GLY 49 N -1.25 1.74 0.37 1.37 0.00 -1.26 -4.81 105.19 101.36 2bc4 n GLY 49 Ca 0.13 -1.76 0.12 0.00 0.00 0.00 0.00 46.02 44.51 2bc4 n GLY 49 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2bc4 h VAL 50 N 0.00 0.82 -0.46 1.61 2.07 -2.06 -1.90 116.25 116.33 2bc4 h VAL 50 Ca 0.00 -0.25 -0.17 0.00 0.82 0.00 0.00 66.70 67.11 2bc4 h VAL 50 Cb 0.00 0.03 -0.10 0.00 -1.52 0.00 0.00 31.29 29.70 2bc4 h VAL 50 CO 0.00 0.13 0.21 0.18 0.02 0.00 0.00 177.57 178.11 2bc4 n LEU 51 N -4.59 4.49 -0.06 2.57 4.77 -1.26 -4.46 117.00 118.45 2bc4 n LEU 51 Ca 0.19 -2.33 -0.11 0.00 -0.03 0.00 0.00 56.01 53.73 2bc4 n LEU 51 Cb 0.49 -0.65 -0.04 0.00 -2.33 0.00 0.00 43.42 40.88 2bc4 n LEU 51 CO 0.28 0.66 0.84 -1.13 -1.33 0.00 0.00 177.39 176.71 2bc4 h ASN 52 N 1.28 0.30 -0.85 -1.43 -1.24 -1.50 -1.50 115.58 110.64 2bc4 h ASN 52 Ca 0.20 -0.20 -0.01 0.00 0.71 0.00 0.00 56.30 57.01 2bc4 h ASN 52 Cb 1.75 -0.08 -0.04 0.00 0.73 0.00 0.00 38.32 40.67 2bc4 h ASN 52 CO 0.47 0.42 0.51 0.77 -1.29 0.00 0.00 177.43 178.31 2bc4 h SER 53 N 0.17 1.03 -0.75 1.15 4.64 -1.84 -0.26 113.55 117.69 2bc4 h SER 53 Ca 0.07 -0.07 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2bc4 h SER 53 Cb 0.22 -0.26 -0.04 0.00 -0.31 0.00 0.00 62.40 62.01 2bc4 h SER 53 CO -0.00 0.80 0.46 0.25 -0.87 0.00 0.00 176.83 177.46 2bc4 h LEU 54 N 1.18 0.90 -0.93 5.97 6.46 -1.85 0.13 115.31 127.17 2bc4 h LEU 54 Ca 0.31 -0.06 0.02 0.00 -0.12 0.00 0.00 57.88 58.02 2bc4 h LEU 54 Cb -0.04 -0.23 -0.05 0.00 -0.73 0.00 0.00 40.66 39.62 2bc4 h LEU 54 CO -0.06 0.69 0.61 0.00 -0.62 0.00 0.00 178.44 179.07 2bc4 h ALA 55 N 1.24 1.19 -0.01 1.25 0.00 -0.30 -0.24 119.26 122.40 2bc4 h ALA 55 Ca 0.27 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 2bc4 h ALA 55 Cb -0.04 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.38 2bc4 h ALA 55 CO -0.05 0.55 0.00 -0.91 0.00 0.00 0.00 179.25 178.84 2bc4 h ASN 56 N 1.24 0.01 0.35 0.00 2.35 -0.11 -1.43 115.58 117.99 2bc4 h ASN 56 Ca 0.35 -0.28 -0.00 0.00 -0.55 0.00 0.00 56.30 55.82 2bc4 h ASN 56 Cb -0.11 -0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.24 2bc4 h ASN 56 CO -0.09 0.29 -0.32 0.58 -1.65 0.00 0.00 177.43 176.25 2bc4 h VAL 57 N -0.26 0.34 -0.98 2.81 2.07 -0.42 0.11 116.25 119.92 2bc4 h VAL 57 Ca 0.00 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.62 2bc4 h VAL 57 Cb 0.28 0.34 -0.08 0.00 -1.52 0.00 0.00 31.29 30.32 2bc4 h VAL 57 CO 0.00 0.00 0.61 -0.07 0.02 0.00 0.00 177.57 178.13 2bc4 h LEU 58 N -0.68 0.93 -0.10 2.57 3.38 -1.10 0.28 115.31 120.58 2bc4 h LEU 58 Ca -0.02 0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.00 2bc4 h LEU 58 Cb 0.61 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 2bc4 h LEU 58 CO -0.04 0.53 -0.00 0.28 0.09 0.00 0.00 178.44 179.30 2bc4 h SER 59 N 1.02 -0.04 -0.15 -0.43 0.02 -0.71 -0.80 113.55 112.47 2bc4 h SER 59 Ca 0.46 0.02 0.03 0.00 -0.84 0.00 0.00 61.79 61.46 2bc4 h SER 59 Cb 0.36 0.04 -0.03 0.00 0.14 0.00 0.00 62.40 62.92 2bc4 h SER 59 CO -0.23 -0.01 -0.04 1.56 -1.14 0.00 0.00 176.83 176.97 2bc4 h GLN 60 N 0.03 -0.01 -0.22 3.45 4.20 0.10 -1.29 115.11 121.38 2bc4 h GLN 60 Ca 0.05 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.80 2bc4 h GLN 60 Cb 0.05 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.80 2bc4 h GLN 60 CO -0.08 -0.01 -0.02 0.45 -0.67 0.00 0.00 178.83 178.51 2bc4 h HIS 61 N -0.01 -0.05 -0.48 2.96 3.86 -0.23 -2.19 115.15 119.02 2bc4 h HIS 61 Ca 0.07 0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.25 2bc4 h HIS 61 Cb 0.12 0.05 -0.02 0.00 1.06 0.00 0.00 27.41 28.62 2bc4 h HIS 61 CO -0.19 -0.05 0.08 -0.07 0.86 0.00 0.00 177.93 178.56 2bc4 h LEU 62 N 0.04 0.71 -0.92 2.43 3.38 -0.96 -2.83 115.31 117.16 2bc4 h LEU 62 Ca 0.10 -0.13 -0.11 0.00 0.09 0.00 0.00 57.88 57.83 2bc4 h LEU 62 Cb 0.14 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2bc4 h LEU 62 CO -0.19 0.72 -0.47 0.78 0.09 0.00 0.00 178.44 179.37 2bc4 h ASN 63 N 0.72 0.17 0.48 -0.43 2.35 -0.92 -2.33 115.58 115.61 2bc4 h ASN 63 Ca 0.16 -0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 2bc4 h ASN 63 Cb 0.32 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.65 2bc4 h ASN 63 CO 0.00 0.62 0.00 0.00 -1.65 0.00 0.00 177.43 176.40 2bc4 n GLN 64 N -3.97 0.07 -2.84 0.81 6.02 -0.85 -4.62 117.38 112.00 2bc4 n GLN 64 Ca -0.02 0.36 -0.41 0.00 -0.01 0.00 0.00 57.00 56.92 2bc4 n GLN 64 Cb 0.51 -1.65 -0.04 0.00 1.02 0.00 0.00 30.24 30.08 2bc4 n GLN 64 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2bc4 s LYS 65 N -3.14 4.57 -0.11 -1.09 -0.14 -0.88 -5.00 119.74 113.96 2bc4 s LYS 65 Ca 0.05 1.26 -0.08 0.00 -1.36 0.00 0.00 55.97 55.84 2bc4 s LYS 65 Cb 0.08 -3.41 -0.07 0.00 -1.68 0.00 0.00 37.83 32.76 2bc4 s LYS 65 CO 0.27 0.14 0.21 -0.44 -0.76 0.00 0.00 175.35 174.77 2bc4 h ASP 66 N 6.10 -0.01 -0.48 2.83 5.19 -1.86 -3.27 116.42 124.92 2bc4 h ASP 66 Ca -0.42 -0.26 0.02 0.00 -0.62 0.00 0.00 57.03 55.75 2bc4 h ASP 66 Cb 1.21 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.70 2bc4 h ASP 66 CO 0.73 0.62 0.32 0.71 -3.12 0.00 0.00 179.24 178.50 2bc4 h THR 67 N -1.00 1.08 0.43 0.35 1.35 -1.96 -2.32 112.91 110.83 2bc4 h THR 67 Ca -0.00 -0.20 -0.02 0.00 -0.55 0.00 0.00 66.41 65.64 2bc4 h THR 67 Cb 0.26 0.44 0.00 0.00 -1.73 0.00 0.00 68.15 67.13 2bc4 h THR 67 CO 0.00 0.11 -0.21 0.25 -0.25 0.00 0.00 175.52 175.42 2bc4 h LEU 68 N 0.58 -0.49 -0.78 3.87 5.85 -1.90 0.53 115.31 122.98 2bc4 h LEU 68 Ca 0.19 -0.00 0.10 0.00 0.84 0.00 0.00 57.88 59.01 2bc4 h LEU 68 Cb 0.04 0.13 -0.07 0.00 0.37 0.00 0.00 40.66 41.13 2bc4 h LEU 68 CO -0.05 -0.32 0.42 0.24 -0.34 0.00 0.00 178.44 178.39 2bc4 h MET 69 N -0.60 0.68 -0.20 1.25 2.86 -1.54 0.13 114.93 117.51 2bc4 h MET 69 Ca -0.06 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.52 2bc4 h MET 69 Cb 0.46 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.96 2bc4 h MET 69 CO 0.10 0.45 0.06 0.37 1.06 0.00 0.00 176.91 178.95 2bc4 h GLN 70 N 0.70 0.31 -0.22 1.72 -0.00 -1.13 -1.89 115.11 114.59 2bc4 h GLN 70 Ca 0.38 -0.07 0.03 0.00 -0.00 0.00 0.00 58.65 58.99 2bc4 h GLN 70 Cb 0.38 -0.04 -0.03 0.00 0.00 0.00 0.00 27.48 27.79 2bc4 h GLN 70 CO -0.26 0.41 0.04 -0.09 0.00 0.00 0.00 178.83 178.93 2bc4 h ARG 71 N 0.14 0.13 0.00 1.69 2.43 0.11 -1.88 114.38 117.00 2bc4 h ARG 71 Ca 0.06 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 2bc4 h ARG 71 Cb 0.23 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 2bc4 h ARG 71 CO -0.00 0.09 0.00 -0.07 -1.51 0.00 0.00 179.97 178.47 2bc4 h LEU 72 N 0.13 0.00 -0.79 3.80 3.38 -0.77 -2.03 115.31 119.03 2bc4 h LEU 72 Ca 0.10 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.96 2bc4 h LEU 72 Cb 0.10 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 2bc4 h LEU 72 CO -0.13 0.00 -0.53 -0.09 0.09 0.00 0.00 178.44 177.77 2bc4 h ARG 73 N 0.00 0.00 -0.38 1.13 9.65 -0.50 -2.93 114.38 121.34 2bc4 h ARG 73 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2bc4 h ARG 73 Cb 0.51 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.09 2bc4 h ARG 73 CO 0.00 0.53 0.00 0.09 2.80 0.00 0.00 179.97 183.39 2bc4 n ASN 74 N -3.68 3.68 -0.28 -3.80 3.02 -0.90 -4.71 115.26 108.59 2bc4 n ASN 74 Ca -0.01 -2.47 0.10 0.00 -0.03 0.00 0.00 54.58 52.17 2bc4 n ASN 74 Cb 0.59 -0.42 0.26 0.00 -0.61 0.00 0.00 39.78 39.59 2bc4 n ASN 74 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 2bc4 h GLY 75 N 2.39 1.32 0.94 7.41 0.00 -1.19 0.12 103.07 114.05 2bc4 h GLY 75 Ca 0.00 -0.10 0.02 0.00 0.00 0.00 0.00 47.33 47.25 2bc4 h GLY 75 CO 0.13 -0.26 0.58 -2.00 0.00 0.00 0.00 176.54 175.00 2bc4 h LEU 76 N 0.32 0.99 -0.24 3.11 5.85 -1.84 -0.29 115.31 123.21 2bc4 h LEU 76 Ca 0.51 -0.02 -0.18 0.00 0.84 0.00 0.00 57.88 59.03 2bc4 h LEU 76 Cb 0.94 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.73 2bc4 h LEU 76 CO -0.54 0.70 -0.54 -0.61 -0.34 0.00 0.00 178.44 177.10 2bc4 h GLN 77 N 1.16 0.79 -0.70 1.25 5.75 -1.35 -3.11 115.11 118.90 2bc4 h GLN 77 Ca 0.34 -0.53 0.07 0.00 -0.15 0.00 0.00 58.65 58.38 2bc4 h GLN 77 Cb -0.07 0.07 -0.06 0.00 1.07 0.00 0.00 27.48 28.50 2bc4 h GLN 77 CO -0.09 1.16 0.39 -0.91 -2.65 0.00 0.00 178.83 176.72 2bc4 h ASN 78 N 0.54 0.56 -0.79 -0.69 -0.26 -0.34 -2.09 115.58 112.51 2bc4 h ASN 78 Ca -0.00 0.04 0.14 0.00 -0.56 0.00 0.00 56.30 55.91 2bc4 h ASN 78 Cb 1.15 -0.07 -0.09 0.00 -1.06 0.00 0.00 38.32 38.25 2bc4 h ASN 78 CO 0.12 0.35 0.37 0.00 -1.06 0.00 0.00 177.43 177.22 2bc4 h ALA 80 N 1.54 0.13 -0.32 0.00 0.00 -1.45 -2.71 119.26 116.44 2bc4 h ALA 80 Ca 0.43 -0.64 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 2bc4 h ALA 80 Cb 0.61 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2bc4 h ALA 80 CO -0.37 0.56 0.14 1.15 0.00 0.00 0.00 179.25 180.74 2bc4 h THR 81 N 0.24 1.17 -0.36 0.00 2.02 -0.95 0.77 112.91 115.79 2bc4 h THR 81 Ca -0.10 -0.49 -0.05 0.00 0.77 0.00 0.00 66.41 66.53 2bc4 h THR 81 Cb 1.53 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 68.83 2bc4 h THR 81 CO 0.17 0.18 0.01 -0.74 0.37 0.00 0.00 175.52 175.51 2bc4 h HIS 82 N 0.37 0.68 0.00 3.16 6.17 -1.02 -3.12 115.15 121.39 2bc4 h HIS 82 Ca 0.11 -0.11 0.00 0.00 0.71 0.00 0.00 60.37 61.07 2bc4 h HIS 82 Cb 0.15 -0.18 0.00 0.00 2.52 0.00 0.00 27.41 29.90 2bc4 h HIS 82 CO -0.01 0.72 -0.21 0.25 0.71 0.00 0.00 177.93 179.39 2bc4 n THR 83 N -4.51 0.28 -0.26 6.26 -2.24 -1.02 -4.36 114.28 108.43 2bc4 n THR 83 Ca -0.02 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 2bc4 n THR 83 Cb 0.27 -0.34 0.07 0.00 -2.10 0.00 0.00 70.33 68.23 2bc4 n THR 83 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 2bc4 h GLN 84 N 0.00 -0.04 0.00 -0.78 -0.00 -0.77 0.35 115.11 113.87 2bc4 h GLN 84 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.64 2bc4 h GLN 84 Cb 0.63 0.01 -0.00 0.00 0.00 0.00 0.00 27.48 28.12 2bc4 h GLN 84 CO 0.00 -0.02 -0.06 -1.00 0.00 0.00 0.00 178.83 177.75 2bc4 h PRO 85 N -0.04 0.00 0.00 -2.39 0.13 -1.78 -3.34 132.00 124.58 2bc4 h PRO 85 Ca 0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.46 2bc4 h PRO 85 Cb 0.56 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.69 2bc4 h PRO 85 CO -0.77 0.06 -0.90 1.97 -0.23 0.00 0.00 178.00 178.12 2bc4 n PHE 86 N -3.75 0.00 -0.25 1.56 1.16 -0.77 -4.85 117.46 110.56 2bc4 n PHE 86 Ca -0.02 0.00 -0.03 0.00 -1.87 0.00 0.00 57.45 55.53 2bc4 n PHE 86 Cb 0.15 0.00 0.03 0.00 -1.61 0.00 0.00 39.48 38.05 2bc4 n PHE 86 CO 0.00 0.00 0.00 2.35 -1.87 0.00 0.00 176.76 177.24 2bc4 h TRP 87 N 0.00 -0.85 -0.88 2.97 2.91 -0.46 -0.22 115.95 119.41 2bc4 h TRP 87 Ca 0.00 0.08 0.10 0.00 1.13 0.00 0.00 58.89 60.20 2bc4 h TRP 87 Cb 0.11 0.48 -0.06 0.00 -0.51 0.00 0.00 29.16 29.17 2bc4 h TRP 87 CO 0.00 -0.38 0.57 0.78 -1.03 0.00 0.00 178.44 178.38 2bc4 h GLY 88 N -0.10 1.26 2.00 2.65 0.00 -1.83 -0.14 103.07 106.92 2bc4 h GLY 88 Ca 0.28 -0.35 -0.02 0.00 0.00 0.00 0.00 47.33 47.23 2bc4 h GLY 88 CO -0.76 0.19 -0.11 1.76 0.00 0.00 0.00 176.54 177.61 2bc4 h SER 89 N 0.85 0.00 0.01 0.19 0.02 -1.38 -2.94 113.55 110.30 2bc4 h SER 89 Ca 0.41 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 61.19 2bc4 h SER 89 Cb 0.45 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.97 2bc4 h SER 89 CO -0.18 0.11 -0.95 -0.07 -1.14 0.00 0.00 176.83 174.60 2bc4 h LEU 90 N 0.00 0.03 -0.70 5.07 3.38 -0.68 -3.01 115.31 119.41 2bc4 h LEU 90 Ca -0.00 -0.67 0.00 0.00 0.09 0.00 0.00 57.88 57.30 2bc4 h LEU 90 Cb 0.59 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.33 2bc4 h LEU 90 CO 0.01 1.38 0.00 0.35 0.09 0.00 0.00 178.44 180.27 2bc4 n THR 91 N -4.43 1.13 0.64 0.22 -2.24 -0.54 -1.32 114.28 107.73 2bc4 n THR 91 Ca -0.26 0.44 0.07 0.00 -2.27 0.00 0.00 64.05 62.03 2bc4 n THR 91 Cb 0.65 -1.38 -0.09 0.00 -2.10 0.00 0.00 70.33 67.41 2bc4 n THR 91 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2bc4 n ASN 92 N -2.00 0.77 -4.72 3.42 5.15 -1.11 -5.00 115.26 111.77 2bc4 n ASN 92 Ca 0.01 -0.78 -0.42 0.00 -0.60 0.00 0.00 54.58 52.79 2bc4 n ASN 92 Cb 0.12 1.06 -0.03 0.00 -0.53 0.00 0.00 39.78 40.40 2bc4 n ASN 92 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 2bc4 s ARG 93 N -2.46 4.20 0.02 1.20 3.52 -0.44 -5.02 118.95 119.98 2bc4 s ARG 93 Ca 0.05 2.39 -0.12 0.00 -0.13 0.00 0.00 55.73 57.92 2bc4 s ARG 93 Cb 0.11 -3.14 0.01 0.00 -1.56 0.00 0.00 34.95 30.37 2bc4 s ARG 93 CO 0.61 -0.62 0.25 0.95 -0.81 0.00 0.00 175.30 175.68 2bc4 s THR 94 N 1.12 0.08 -0.05 4.11 -4.23 -1.26 -4.47 115.64 110.95 2bc4 s THR 94 Ca 0.70 -0.67 -0.02 0.00 -1.18 0.00 0.00 61.69 60.52 2bc4 s THR 94 Cb -0.45 -0.75 0.04 0.00 1.34 0.00 0.00 72.50 72.68 2bc4 s THR 94 CO 0.32 -0.37 0.09 -0.13 -0.54 0.00 0.00 174.62 173.98 2bc4 s ARG 95 N -1.97 -0.03 0.45 3.99 1.81 0.12 -4.92 118.95 118.40 2bc4 s ARG 95 Ca -0.09 0.40 -0.24 0.00 -1.72 0.00 0.00 55.73 54.07 2bc4 s ARG 95 Cb -0.03 -0.39 -0.08 0.00 -0.45 0.00 0.00 34.95 34.00 2bc4 s ARG 95 CO -0.00 -0.29 1.26 -1.25 -0.68 0.00 0.00 175.30 174.34 2bc4 s PRO 96 N 1.97 3.77 0.28 3.54 0.04 -1.26 -1.60 135.00 141.73 2bc4 s PRO 96 Ca 0.01 2.04 -0.23 0.00 0.04 0.00 0.00 61.00 62.86 2bc4 s PRO 96 Cb -0.12 -2.56 -0.09 0.00 0.04 0.00 0.00 34.50 31.76 2bc4 s PRO 96 CO -0.04 -0.62 0.84 -1.25 0.04 0.00 0.00 177.00 175.97 2bc4 s PRO 97 N -2.49 4.41 0.10 0.56 0.04 -1.26 -4.28 135.00 132.08 2bc4 s PRO 97 Ca 0.61 1.10 -0.06 0.00 0.04 0.00 0.00 61.00 62.69 2bc4 s PRO 97 Cb -0.35 -2.81 -0.05 0.00 0.04 0.00 0.00 34.50 31.32 2bc4 s PRO 97 CO 0.44 0.32 0.36 -1.12 0.04 0.00 0.00 177.00 177.04 2bc4 s SER 98 N -1.66 6.52 -0.05 6.66 0.01 -0.17 -4.91 113.70 120.09 2bc4 s SER 98 Ca 0.47 0.62 -0.06 0.00 1.31 0.00 0.00 55.95 58.29 2bc4 s SER 98 Cb -0.17 -2.10 0.01 0.00 0.21 0.00 0.00 66.02 63.97 2bc4 s SER 98 CO 0.22 0.12 0.16 0.54 0.41 0.00 0.00 173.24 174.69 2bc4 s VAL 99 N -1.54 0.01 -0.05 3.43 0.11 -1.26 -1.73 120.40 119.38 2bc4 s VAL 99 Ca 0.37 -0.08 -0.06 0.00 -2.93 0.00 0.00 61.98 59.28 2bc4 s VAL 99 Cb -0.13 -0.26 0.01 0.00 -1.53 0.00 0.00 36.38 34.48 2bc4 s VAL 99 CO 0.22 -0.04 0.16 -1.10 -3.33 0.00 0.00 175.10 171.00 2bc4 s GLN 100 N -0.09 0.23 0.08 1.54 -1.52 -0.72 -4.98 119.66 114.20 2bc4 s GLN 100 Ca -0.02 0.13 0.07 0.00 -1.95 0.00 0.00 55.36 53.60 2bc4 s GLN 100 Cb -0.02 0.11 -0.04 0.00 -0.22 0.00 0.00 33.01 32.84 2bc4 s GLN 100 CO 0.00 -0.04 -0.13 0.08 -0.25 0.00 0.00 175.29 174.95 2bc4 s VAL 101 N -0.13 3.14 0.02 1.09 1.01 -1.26 -0.29 120.40 123.99 2bc4 s VAL 101 Ca -0.02 -1.26 -0.29 0.00 0.00 0.00 0.00 61.98 60.41 2bc4 s VAL 101 Cb -0.02 -2.42 0.10 0.00 0.00 0.00 0.00 36.38 34.04 2bc4 s VAL 101 CO 0.00 0.18 1.09 0.00 0.00 0.00 0.00 175.10 176.38 2bc4 s ALA 102 N -1.11 -1.93 0.58 5.51 0.00 -0.74 -4.96 121.76 119.12 2bc4 s ALA 102 Ca 0.19 0.67 -0.14 0.00 0.00 0.00 0.00 51.96 52.67 2bc4 s ALA 102 Cb -0.11 0.41 -0.05 0.00 0.00 0.00 0.00 23.12 23.37 2bc4 s ALA 102 CO 0.10 -0.92 1.02 0.15 0.00 0.00 0.00 175.76 176.11 2bc4 s LYS 103 N -2.86 3.61 0.09 0.00 1.02 -1.26 0.40 119.74 120.74 2bc4 s LYS 103 Ca 0.11 0.94 -0.08 0.00 0.02 0.00 0.00 55.97 56.95 2bc4 s LYS 103 Cb 0.01 -2.08 -0.00 0.00 -0.52 0.00 0.00 37.83 35.23 2bc4 s LYS 103 CO -0.03 -0.55 0.18 -0.08 -0.92 0.00 0.00 175.35 173.95 2bc4 s THR 104 N -2.81 0.14 -0.16 2.17 -1.32 -0.03 -4.78 115.64 108.84 2bc4 s THR 104 Ca 0.58 -1.19 -0.28 0.00 -1.21 0.00 0.00 61.69 59.59 2bc4 s THR 104 Cb -0.12 -1.33 -0.06 0.00 -1.51 0.00 0.00 72.50 69.48 2bc4 s THR 104 CO 0.42 -0.66 2.17 -0.89 -2.21 0.00 0.00 174.62 173.45 2bc4 s THR 105 N -3.83 3.01 0.61 5.08 2.01 -1.26 -4.30 115.64 116.96 2bc4 s THR 105 Ca 0.05 0.01 -0.18 0.00 0.31 0.00 0.00 61.69 61.87 2bc4 s THR 105 Cb 0.05 -3.01 -0.04 0.00 0.01 0.00 0.00 72.50 69.51 2bc4 s THR 105 CO -0.11 -0.00 1.02 -2.65 -0.69 0.00 0.00 174.62 172.18 2bc4 n PRO 106 N 8.51 0.93 -3.50 4.92 -0.02 -1.26 -5.01 135.00 139.57 2bc4 n PRO 106 Ca 0.28 0.36 -0.16 0.00 -2.02 0.00 0.00 63.50 61.96 2bc4 n PRO 106 Cb 0.44 -2.23 -0.05 0.00 -0.02 0.00 0.00 33.50 31.65 2bc4 n PRO 106 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 2bc4 s PHE 107 N -1.50 -0.61 -1.50 6.00 -0.12 -1.26 -4.93 117.98 114.06 2bc4 s PHE 107 Ca 0.77 0.89 -0.09 0.00 -0.05 0.00 0.00 56.93 58.45 2bc4 s PHE 107 Cb -0.41 0.45 0.07 0.00 -0.63 0.00 0.00 43.02 42.50 2bc4 s PHE 107 CO 0.46 -0.66 0.77 -1.71 -0.05 0.00 0.00 175.22 174.03 2bc4 n ASN 108 N 0.55 -2.85 -3.59 1.98 4.05 -1.26 -4.93 115.26 109.21 2bc4 n ASN 108 Ca -0.18 -0.88 -0.07 0.00 0.45 0.00 0.00 54.58 53.90 2bc4 n ASN 108 Cb 0.59 -3.52 -0.02 0.00 1.23 0.00 0.00 39.78 38.06 2bc4 n ASN 108 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 177.26 174.49 2bc4 s THR 109 N -3.51 0.00 -0.08 -0.44 -1.32 -1.26 -5.03 115.64 104.00 2bc4 s THR 109 Ca 0.41 -0.27 0.21 0.00 -1.21 0.00 0.00 61.69 60.83 2bc4 s THR 109 Cb -0.21 -1.37 -0.31 0.00 -1.51 0.00 0.00 72.50 69.10 2bc4 s THR 109 CO 0.86 0.00 0.37 0.54 -2.21 0.00 0.00 174.62 174.18 2bc4 n ARG 110 N -0.35 0.67 -1.59 7.08 1.74 -1.26 -4.99 116.66 117.96 2bc4 n ARG 110 Ca -0.09 -0.14 -0.39 0.00 -0.77 0.00 0.00 57.85 56.46 2bc4 n ARG 110 Cb 0.62 -1.53 0.03 0.00 -1.02 0.00 0.00 32.46 30.56 2bc4 n ARG 110 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2bc4 n GLU 111 N -2.41 1.03 0.10 5.56 -0.58 -1.26 -4.92 120.64 118.15 2bc4 n GLU 111 Ca -0.13 0.38 -0.00 0.00 -0.42 0.00 0.00 57.16 56.99 2bc4 n GLU 111 Cb 0.75 -2.03 -0.03 0.00 -0.57 0.00 0.00 31.44 29.55 2bc4 n GLU 111 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 2bc4 h PRO 112 N 0.91 0.00 -6.18 3.49 0.13 -1.95 -3.47 132.00 124.93 2bc4 h PRO 112 Ca -0.46 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.08 2bc4 h PRO 112 Cb 1.36 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.33 2bc4 h PRO 112 CO 0.53 0.56 -0.78 0.08 -0.23 0.00 0.00 178.00 178.16 2bc4 s VAL 113 N -2.89 2.22 -0.25 1.56 1.01 -1.13 -4.86 120.40 116.06 2bc4 s VAL 113 Ca 0.02 -2.19 -0.07 0.00 0.00 0.00 0.00 61.98 59.74 2bc4 s VAL 113 Cb 0.08 -2.13 0.12 0.00 0.00 0.00 0.00 36.38 34.45 2bc4 s VAL 113 CO 0.78 -0.33 0.53 -0.32 0.00 0.00 0.00 175.10 175.75 2bc4 s MET 114 N -3.17 0.45 0.28 2.72 1.75 -1.26 -1.58 119.30 118.50 2bc4 s MET 114 Ca 0.24 1.17 -0.06 0.00 -1.25 0.00 0.00 55.69 55.78 2bc4 s MET 114 Cb -0.05 0.51 -0.06 0.00 2.84 0.00 0.00 34.83 38.07 2bc4 s MET 114 CO 0.11 -0.30 0.56 -0.51 -0.65 0.00 0.00 175.02 174.23 2bc4 s LEU 115 N 2.75 4.07 -0.09 4.11 1.43 -0.55 -0.85 118.68 129.56 2bc4 s LEU 115 Ca -0.00 0.78 0.01 0.00 -1.03 0.00 0.00 54.13 53.89 2bc4 s LEU 115 Cb -0.13 -3.59 0.02 0.00 0.03 0.00 0.00 46.19 42.52 2bc4 s LEU 115 CO -0.16 -0.17 -0.11 0.00 0.23 0.00 0.00 176.35 176.13 2bc4 s ALA 116 N -2.03 1.35 -0.46 4.21 0.00 0.16 -1.53 121.76 123.46 2bc4 s ALA 116 Ca 0.45 -0.51 -0.11 0.00 0.00 0.00 0.00 51.96 51.79 2bc4 s ALA 116 Cb -0.11 -0.72 0.10 0.00 0.00 0.00 0.00 23.12 22.39 2bc4 s ALA 116 CO 0.28 -0.09 0.34 0.00 0.00 0.00 0.00 175.76 176.29 2bc4 s TYR 118 N 1.44 3.66 -0.10 0.00 1.51 0.61 -2.58 117.35 121.89 2bc4 s TYR 118 Ca 0.04 1.58 0.01 0.00 -1.01 0.00 0.00 57.07 57.70 2bc4 s TYR 118 Cb -0.25 -3.01 0.02 0.00 -0.11 0.00 0.00 41.96 38.60 2bc4 s TYR 118 CO 0.01 0.06 -0.12 0.08 -1.11 0.00 0.00 175.55 174.48 2bc4 s VAL 119 N 0.76 1.24 0.26 0.71 1.01 -0.44 -1.76 120.40 122.19 2bc4 s VAL 119 Ca 0.47 -0.48 -0.12 0.00 0.00 0.00 0.00 61.98 61.85 2bc4 s VAL 119 Cb -0.20 -1.18 -0.00 0.00 0.00 0.00 0.00 36.38 35.00 2bc4 s VAL 119 CO 0.25 0.39 0.49 -1.66 0.00 0.00 0.00 175.10 174.57 2bc4 s TRP 120 N 1.18 0.44 0.00 5.22 -2.14 -0.70 -0.83 118.94 122.11 2bc4 s TRP 120 Ca -0.04 -0.80 0.00 0.00 2.66 0.00 0.00 56.10 57.92 2bc4 s TRP 120 Cb -0.14 0.17 0.00 0.00 -3.10 0.00 0.00 33.47 30.40 2bc4 s TRP 120 CO -0.03 -1.03 0.00 0.41 -2.66 0.00 0.00 176.95 173.64 2bc4 n GLY 121 N -0.41 0.35 3.95 3.67 0.00 -0.51 -1.00 105.19 111.24 2bc4 n GLY 121 Ca -0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 2bc4 n GLY 121 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2bc4 s PHE 122 N -1.76 3.41 -0.28 1.61 -0.12 -1.18 -4.64 117.98 115.02 2bc4 s PHE 122 Ca 0.00 0.31 -0.19 0.00 -0.05 0.00 0.00 56.93 57.00 2bc4 s PHE 122 Cb 0.00 -2.02 0.08 0.00 -0.63 0.00 0.00 43.02 40.45 2bc4 s PHE 122 CO 0.00 -0.03 0.72 -0.47 -0.05 0.00 0.00 175.22 175.39 2bc4 s TYR 123 N -2.39 -0.95 0.61 3.49 5.04 -0.63 -0.55 117.35 121.96 2bc4 s TYR 123 Ca 0.43 2.01 -0.10 0.00 -2.44 0.00 0.00 57.07 56.96 2bc4 s TYR 123 Cb -0.10 0.51 0.15 0.00 0.35 0.00 0.00 41.96 42.88 2bc4 s TYR 123 CO 0.37 -0.47 0.46 -2.30 -1.34 0.00 0.00 175.55 172.27 2bc4 n PRO 124 N 3.76 -2.51 0.24 4.97 -0.02 -1.26 0.16 135.00 140.34 2bc4 n PRO 124 Ca -0.18 -0.75 0.13 0.00 -2.02 0.00 0.00 63.50 60.68 2bc4 n PRO 124 Cb 0.58 -0.80 0.41 0.00 -0.02 0.00 0.00 33.50 33.68 2bc4 n PRO 124 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2bc4 h ALA 125 N -2.50 0.98 -2.44 3.55 0.00 -1.99 -3.45 119.26 113.41 2bc4 h ALA 125 Ca -0.19 -0.07 -0.53 0.00 0.00 0.00 0.00 54.91 54.12 2bc4 h ALA 125 Cb 0.59 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.38 2bc4 h ALA 125 CO 0.12 0.10 0.97 -1.21 0.00 0.00 0.00 179.25 179.22 2bc4 s GLU 126 N -3.45 4.21 -0.12 0.00 8.01 -1.26 -4.66 118.70 121.43 2bc4 s GLU 126 Ca 0.03 2.27 -0.21 0.00 0.01 0.00 0.00 54.97 57.07 2bc4 s GLU 126 Cb 0.08 -3.59 0.05 0.00 -4.31 0.00 0.00 34.13 26.36 2bc4 s GLU 126 CO 0.62 -0.71 0.53 0.54 0.01 0.00 0.00 175.26 176.26 2bc4 s VAL 127 N 2.57 0.01 -0.04 2.63 0.11 -1.26 -4.64 120.40 119.78 2bc4 s VAL 127 Ca 0.72 -0.11 0.06 0.00 -2.93 0.00 0.00 61.98 59.72 2bc4 s VAL 127 Cb -0.38 -0.80 -0.01 0.00 -1.53 0.00 0.00 36.38 33.66 2bc4 s VAL 127 CO 0.31 -0.06 -0.21 0.42 -3.33 0.00 0.00 175.10 172.23 2bc4 s THR 128 N -0.47 1.76 -0.03 5.04 -4.23 -0.79 -2.91 115.64 114.00 2bc4 s THR 128 Ca -0.06 -0.91 0.02 0.00 -1.18 0.00 0.00 61.69 59.56 2bc4 s THR 128 Cb -0.03 -1.49 0.01 0.00 1.34 0.00 0.00 72.50 72.33 2bc4 s THR 128 CO 0.04 0.49 -0.06 -0.63 -0.54 0.00 0.00 174.62 173.93 2bc4 s ILE 129 N -0.15 0.60 0.04 2.99 1.01 -0.67 -0.86 121.20 124.16 2bc4 s ILE 129 Ca -0.01 -0.21 0.00 0.00 0.00 0.00 0.00 60.65 60.43 2bc4 s ILE 129 Cb -0.12 -0.58 -0.03 0.00 0.01 0.00 0.00 42.46 41.74 2bc4 s ILE 129 CO 0.02 0.22 -0.04 0.42 0.00 0.00 0.00 174.94 175.56 2bc4 s THR 130 N 0.56 0.31 0.17 2.92 -4.23 -0.36 -4.61 115.64 110.40 2bc4 s THR 130 Ca -0.08 -1.35 0.06 0.00 -1.18 0.00 0.00 61.69 59.13 2bc4 s THR 130 Cb -0.11 -0.90 -0.04 0.00 1.34 0.00 0.00 72.50 72.79 2bc4 s THR 130 CO 0.00 -0.68 0.11 0.26 -0.54 0.00 0.00 174.62 173.78 2bc4 s TRP 131 N -2.47 3.09 -0.07 3.99 0.52 -1.26 0.41 118.94 123.15 2bc4 s TRP 131 Ca -0.04 -0.04 -0.03 0.00 0.02 0.00 0.00 56.10 56.01 2bc4 s TRP 131 Cb -0.03 -1.48 0.04 0.00 -1.15 0.00 0.00 33.47 30.85 2bc4 s TRP 131 CO -0.04 0.52 0.14 1.03 0.02 0.00 0.00 176.95 178.62 2bc4 s ARG 132 N -3.09 0.03 -0.58 4.98 0.52 -0.48 -2.89 118.95 117.44 2bc4 s ARG 132 Ca 0.30 0.47 -0.18 0.00 -0.52 0.00 0.00 55.73 55.80 2bc4 s ARG 132 Cb -0.10 -0.27 0.11 0.00 0.52 0.00 0.00 34.95 35.21 2bc4 s ARG 132 CO 0.22 -0.26 0.65 0.21 0.02 0.00 0.00 175.30 176.14 2bc4 s LYS 133 N 1.90 3.03 0.00 3.54 2.20 0.23 -0.91 119.74 129.73 2bc4 s LYS 133 Ca -0.01 -1.41 0.00 0.00 -0.36 0.00 0.00 55.97 54.19 2bc4 s LYS 133 Cb -0.12 -4.27 0.00 0.00 -1.51 0.00 0.00 37.83 31.93 2bc4 s LYS 133 CO -0.05 -1.49 0.00 0.09 -0.36 0.00 0.00 175.35 173.54 2bc4 n ASN 134 N 6.06 -0.51 0.00 1.43 3.02 0.35 -2.79 115.26 122.82 2bc4 n ASN 134 Ca -0.11 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.44 2bc4 n ASN 134 Cb 0.42 -1.17 0.00 0.00 -0.61 0.00 0.00 39.78 38.42 2bc4 n ASN 134 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2bc4 n GLY 135 N -1.91 1.83 3.00 7.41 0.00 -1.26 -5.02 105.19 109.24 2bc4 n GLY 135 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 2bc4 n GLY 135 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bc4 s LYS 136 N 0.00 1.11 0.13 1.61 1.02 -1.12 -5.04 119.74 117.45 2bc4 s LYS 136 Ca 0.00 -0.31 -0.33 0.00 0.02 0.00 0.00 55.97 55.35 2bc4 s LYS 136 Cb 0.00 -1.01 -0.12 0.00 -0.52 0.00 0.00 37.83 36.18 2bc4 s LYS 136 CO 0.00 0.08 1.74 -0.11 -0.92 0.00 0.00 175.35 176.14 2bc4 n LEU 137 N 3.47 3.69 -4.34 3.17 7.94 -1.26 -0.60 117.00 129.06 2bc4 n LEU 137 Ca -0.20 1.03 -0.27 0.00 -1.11 0.00 0.00 56.01 55.46 2bc4 n LEU 137 Cb 0.53 -1.50 -0.13 0.00 0.53 0.00 0.00 43.42 42.86 2bc4 n LEU 137 CO 0.25 0.02 -0.55 0.68 -1.11 0.00 0.00 177.39 176.67 2bc4 s VAL 138 N 1.97 2.03 -0.82 1.96 -7.23 -1.14 -4.80 120.40 112.37 2bc4 s VAL 138 Ca 0.81 -1.64 -0.04 0.00 -1.81 0.00 0.00 61.98 59.30 2bc4 s VAL 138 Cb -0.57 -1.81 -0.04 0.00 0.56 0.00 0.00 36.38 34.52 2bc4 s VAL 138 CO 0.38 0.05 0.71 0.23 -0.31 0.00 0.00 175.10 176.16 2bc4 n MET 139 N 1.06 -2.39 -0.27 4.82 2.81 -1.26 -4.56 117.12 117.32 2bc4 n MET 139 Ca -0.18 0.66 0.07 0.00 -1.81 0.00 0.00 57.70 56.43 2bc4 n MET 139 Cb 0.53 -4.86 0.30 0.00 -0.71 0.00 0.00 33.22 28.49 2bc4 n MET 139 CO 0.00 0.00 0.00 -1.35 1.51 0.00 0.00 175.97 176.13 2bc4 h PRO 140 N -0.95 0.85 -1.43 0.03 0.11 -1.99 -2.75 132.00 125.87 2bc4 h PRO 140 Ca -0.46 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 65.50 2bc4 h PRO 140 Cb 1.24 -0.19 -0.05 0.00 0.11 0.00 0.00 31.00 32.11 2bc4 h PRO 140 CO 0.34 0.57 0.13 0.72 -0.21 0.00 0.00 178.00 179.55 2bc4 n HIS 141 N -4.52 0.52 -4.37 0.65 8.25 -1.26 -4.85 115.22 109.64 2bc4 n HIS 141 Ca 0.14 -1.04 -0.31 0.00 -0.26 0.00 0.00 57.72 56.25 2bc4 n HIS 141 Cb 0.29 -0.52 -0.10 0.00 1.12 0.00 0.00 29.99 30.78 2bc4 n HIS 141 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2bc4 s SER 142 N 1.01 4.57 -0.64 0.41 0.15 -1.04 -5.06 113.70 113.10 2bc4 s SER 142 Ca 0.10 -0.23 -0.27 0.00 0.70 0.00 0.00 55.95 56.25 2bc4 s SER 142 Cb 0.08 -1.01 0.01 0.00 -1.71 0.00 0.00 66.02 63.40 2bc4 s SER 142 CO 0.01 0.24 1.43 -0.44 1.20 0.00 0.00 173.24 175.68 2bc4 s SER 143 N -1.73 6.00 0.49 5.45 0.01 -1.26 -4.85 113.70 117.80 2bc4 s SER 143 Ca 0.19 0.00 0.32 0.00 1.31 0.00 0.00 55.95 57.77 2bc4 s SER 143 Cb -0.11 -2.55 1.33 0.00 0.21 0.00 0.00 66.02 64.90 2bc4 s SER 143 CO 0.10 -1.87 1.94 0.00 0.41 0.00 0.00 173.24 173.82 2bc4 h ALA 144 N 11.31 1.00 -1.76 1.44 0.00 -1.95 -3.38 119.26 125.92 2bc4 h ALA 144 Ca -0.27 0.00 -0.66 0.00 0.00 0.00 0.00 54.91 53.98 2bc4 h ALA 144 Cb 1.09 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 18.72 2bc4 h ALA 144 CO 1.23 0.00 0.85 -1.01 0.00 0.00 0.00 179.25 180.31 2bc4 s HIS 145 N -3.61 2.94 0.29 0.00 3.76 -1.26 -1.67 115.29 115.73 2bc4 s HIS 145 Ca 0.02 -1.12 -0.28 0.00 -0.15 0.00 0.00 55.06 53.52 2bc4 s HIS 145 Cb 0.09 -4.34 -0.09 0.00 1.11 0.00 0.00 32.58 29.35 2bc4 s HIS 145 CO 0.50 -1.58 1.01 0.15 -0.85 0.00 0.00 174.74 173.96 2bc4 s LYS 146 N 3.30 4.65 0.22 1.40 -0.14 -1.15 -5.04 119.74 122.97 2bc4 s LYS 146 Ca 0.32 1.57 -0.22 0.00 -1.36 0.00 0.00 55.97 56.28 2bc4 s LYS 146 Cb -0.07 -3.07 -0.08 0.00 -1.68 0.00 0.00 37.83 32.93 2bc4 s LYS 146 CO -0.05 0.29 0.77 0.95 -0.76 0.00 0.00 175.35 176.55 2bc4 s THR 147 N -1.31 4.47 0.06 2.17 -4.23 -1.26 -4.56 115.64 110.98 2bc4 s THR 147 Ca 0.46 1.47 0.10 0.00 -1.18 0.00 0.00 61.69 62.53 2bc4 s THR 147 Cb -0.26 -3.95 -0.03 0.00 1.34 0.00 0.00 72.50 69.60 2bc4 s THR 147 CO 0.33 0.28 -0.26 0.00 -0.54 0.00 0.00 174.62 174.43 2bc4 s ALA 148 N -1.44 2.26 -0.15 3.99 0.00 -1.26 -4.79 121.76 120.37 2bc4 s ALA 148 Ca 0.42 -1.30 -0.22 0.00 0.00 0.00 0.00 51.96 50.87 2bc4 s ALA 148 Cb -0.19 -0.46 -0.03 0.00 0.00 0.00 0.00 23.12 22.45 2bc4 s ALA 148 CO 0.23 0.53 0.66 -1.14 0.00 0.00 0.00 175.76 176.03 2bc4 s GLN 149 N -1.36 4.30 0.32 0.00 2.00 -0.09 -4.89 119.66 119.94 2bc4 s GLN 149 Ca 0.12 0.72 -0.27 0.00 -2.00 0.00 0.00 55.36 53.93 2bc4 s GLN 149 Cb -0.10 -3.52 -0.10 0.00 0.80 0.00 0.00 33.01 30.09 2bc4 s GLN 149 CO 0.03 -0.12 0.98 -1.25 -0.50 0.00 0.00 175.29 174.43 2bc4 s PRO 150 N 1.49 4.57 0.00 1.67 0.04 -1.26 -1.88 135.00 139.63 2bc4 s PRO 150 Ca 0.32 1.45 0.24 0.00 0.04 0.00 0.00 61.00 63.05 2bc4 s PRO 150 Cb -0.16 -2.89 0.35 0.00 0.04 0.00 0.00 34.50 31.84 2bc4 s PRO 150 CO 0.13 0.24 1.31 0.09 0.04 0.00 0.00 177.00 178.81 2bc4 n ASN 151 N 0.70 1.10 0.00 6.66 3.02 -0.50 -4.95 115.26 121.29 2bc4 n ASN 151 Ca 0.01 -0.88 0.00 0.00 -0.03 0.00 0.00 54.58 53.69 2bc4 n ASN 151 Cb 0.49 0.39 0.00 0.00 -0.61 0.00 0.00 39.78 40.05 2bc4 n ASN 151 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2bc4 n GLY 152 N 1.43 2.18 1.22 7.41 0.00 -1.26 -4.87 105.19 111.30 2bc4 n GLY 152 Ca 0.08 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.08 2bc4 n GLY 152 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2bc4 n ASP 153 N 0.00 3.07 -0.84 1.61 5.75 -1.26 -4.92 116.55 119.95 2bc4 n ASP 153 Ca 0.00 -3.53 -0.08 0.00 -0.01 0.00 0.00 54.79 51.17 2bc4 n ASP 153 Cb 0.00 -0.63 -0.01 0.00 -1.03 0.00 0.00 41.12 39.45 2bc4 n ASP 153 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 2bc4 n TRP 154 N -0.92 -0.33 -4.11 2.11 7.02 -1.26 -5.04 117.44 114.91 2bc4 n TRP 154 Ca 0.33 0.00 -0.11 0.00 -1.02 0.00 0.00 57.50 56.70 2bc4 n TRP 154 Cb 1.07 -2.04 -0.11 0.00 -2.42 0.00 0.00 31.31 27.81 2bc4 n TRP 154 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 2bc4 s THR 155 N -2.37 0.54 0.29 -0.99 -4.23 -1.26 -4.65 115.64 102.97 2bc4 s THR 155 Ca 0.00 -1.52 0.02 0.00 -1.18 0.00 0.00 61.69 59.02 2bc4 s THR 155 Cb 0.00 -1.15 -0.05 0.00 1.34 0.00 0.00 72.50 72.64 2bc4 s THR 155 CO 0.00 -0.67 0.09 -0.31 -0.54 0.00 0.00 174.62 173.19 2bc4 s TYR 156 N -2.64 1.72 0.01 3.99 1.51 0.28 -1.40 117.35 120.82 2bc4 s TYR 156 Ca 0.01 -1.11 -0.19 0.00 -1.01 0.00 0.00 57.07 54.77 2bc4 s TYR 156 Cb -0.01 -1.06 0.04 0.00 -0.11 0.00 0.00 41.96 40.81 2bc4 s TYR 156 CO -0.03 -0.21 0.41 1.14 -1.11 0.00 0.00 175.55 175.75 2bc4 s GLN 157 N -3.95 0.86 0.34 -0.62 -2.07 -0.79 -1.43 119.66 112.00 2bc4 s GLN 157 Ca 0.36 -0.23 -0.18 0.00 -1.82 0.00 0.00 55.36 53.50 2bc4 s GLN 157 Cb 0.08 0.38 0.05 0.00 -1.09 0.00 0.00 33.01 32.43 2bc4 s GLN 157 CO 0.15 -0.27 0.78 -0.08 -1.32 0.00 0.00 175.29 174.55 2bc4 s THR 158 N -1.93 0.00 0.09 3.63 -1.32 -0.01 -0.91 115.64 115.19 2bc4 s THR 158 Ca -0.09 -0.97 -0.17 0.00 -1.21 0.00 0.00 61.69 59.24 2bc4 s THR 158 Cb -0.02 -2.61 0.04 0.00 -1.51 0.00 0.00 72.50 68.40 2bc4 s THR 158 CO 0.01 0.00 0.42 -1.48 -2.21 0.00 0.00 174.62 171.37 2bc4 s LEU 159 N -3.04 0.33 -0.00 9.08 0.05 -1.26 -1.32 118.68 122.51 2bc4 s LEU 159 Ca 0.14 -0.17 0.03 0.00 0.05 0.00 0.00 54.13 54.18 2bc4 s LEU 159 Cb -0.05 1.86 -0.01 0.00 -2.05 0.00 0.00 46.19 45.94 2bc4 s LEU 159 CO 0.10 -0.79 -0.09 -0.55 -0.55 0.00 0.00 176.35 174.47 2bc4 s SER 160 N -2.49 1.08 0.23 1.48 0.15 -1.07 -4.98 113.70 108.11 2bc4 s SER 160 Ca -0.00 -0.19 0.08 0.00 0.70 0.00 0.00 55.95 56.54 2bc4 s SER 160 Cb 0.01 -0.11 -0.04 0.00 -1.71 0.00 0.00 66.02 64.16 2bc4 s SER 160 CO -0.08 0.10 0.03 -1.00 1.20 0.00 0.00 173.24 173.49 2bc4 s HIS 161 N -0.28 2.82 -0.26 3.44 3.76 -1.26 -0.68 115.29 122.83 2bc4 s HIS 161 Ca 0.03 -0.17 -0.02 0.00 -0.15 0.00 0.00 55.06 54.75 2bc4 s HIS 161 Cb -0.04 -1.30 0.12 0.00 1.11 0.00 0.00 32.58 32.47 2bc4 s HIS 161 CO -0.00 0.56 0.27 -1.17 -0.85 0.00 0.00 174.74 173.55 2bc4 s LEU 162 N -3.40 -0.17 -0.20 0.89 2.96 -0.58 -4.97 118.68 113.21 2bc4 s LEU 162 Ca 0.30 -0.59 -0.29 0.00 -0.22 0.00 0.00 54.13 53.33 2bc4 s LEU 162 Cb -0.08 0.45 0.00 0.00 0.50 0.00 0.00 46.19 47.06 2bc4 s LEU 162 CO 0.20 -0.37 1.06 0.00 -1.32 0.00 0.00 176.35 175.92 2bc4 s ALA 163 N 2.34 3.63 0.00 5.97 0.00 -1.26 -1.48 121.76 130.97 2bc4 s ALA 163 Ca 0.09 0.25 0.00 0.00 0.00 0.00 0.00 51.96 52.30 2bc4 s ALA 163 Cb -0.15 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.44 2bc4 s ALA 163 CO -0.26 -0.98 0.00 1.47 0.00 0.00 0.00 175.76 175.99 2bc4 n LEU 164 N 6.10 0.00 -3.42 0.00 -0.00 -0.61 -4.98 117.00 114.09 2bc4 n LEU 164 Ca 0.12 0.00 -0.18 0.00 -0.00 0.00 0.00 56.01 55.95 2bc4 n LEU 164 Cb 0.46 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.78 2bc4 n LEU 164 CO 0.52 0.00 -0.19 -0.89 -0.00 0.00 0.00 177.39 176.84 2bc4 s THR 165 N -1.80 -0.38 0.62 1.47 2.01 -1.26 -2.84 115.64 113.46 2bc4 s THR 165 Ca 0.00 -0.45 -0.18 0.00 0.31 0.00 0.00 61.69 61.37 2bc4 s THR 165 Cb 0.00 -0.94 -0.02 0.00 0.01 0.00 0.00 72.50 71.54 2bc4 s THR 165 CO 0.00 -0.44 1.23 -2.16 -0.69 0.00 0.00 174.62 172.56 2bc4 s PRO 166 N 2.35 2.79 -0.05 4.92 0.04 -1.26 -4.99 135.00 138.80 2bc4 s PRO 166 Ca 0.09 1.89 0.22 0.00 0.04 0.00 0.00 61.00 63.24 2bc4 s PRO 166 Cb -0.14 -1.90 0.38 0.00 0.04 0.00 0.00 34.50 32.88 2bc4 s PRO 166 CO -0.30 -1.37 1.15 0.43 0.04 0.00 0.00 177.00 176.95 2bc4 n SER 167 N -1.76 0.74 0.00 6.66 7.64 -1.26 -5.01 113.62 120.62 2bc4 n SER 167 Ca 0.14 -2.01 0.00 0.00 1.01 0.00 0.00 58.87 58.01 2bc4 n SER 167 Cb 0.49 -0.21 0.00 0.00 -1.01 0.00 0.00 64.21 63.48 2bc4 n SER 167 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 2bc4 n TYR 168 N 0.19 0.00 0.92 1.43 4.02 -1.26 -4.04 117.16 118.43 2bc4 n TYR 168 Ca 0.01 0.00 0.09 0.00 -0.01 0.00 0.00 57.90 57.99 2bc4 n TYR 168 Cb 1.02 -0.43 -0.10 0.00 -0.02 0.00 0.00 39.34 39.82 2bc4 n TYR 168 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2bc4 n GLY 169 N -0.43 -0.72 3.82 2.72 0.00 -1.26 -4.92 105.19 104.40 2bc4 n GLY 169 Ca 0.00 -0.56 -0.37 0.00 0.00 0.00 0.00 46.02 45.09 2bc4 n GLY 169 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2bc4 s ASP 170 N -2.77 6.61 -0.18 1.61 1.01 -1.26 -5.04 116.67 116.65 2bc4 s ASP 170 Ca 0.09 0.73 0.01 0.00 0.71 0.00 0.00 52.55 54.08 2bc4 s ASP 170 Cb 0.15 -2.19 0.03 0.00 1.01 0.00 0.00 42.92 41.93 2bc4 s ASP 170 CO 0.76 0.30 -0.13 -0.89 0.21 0.00 0.00 175.17 175.42 2bc4 s THR 171 N -0.71 1.71 -0.08 -1.27 2.01 -1.26 -4.73 115.64 111.30 2bc4 s THR 171 Ca 0.20 -0.92 -0.09 0.00 0.31 0.00 0.00 61.69 61.18 2bc4 s THR 171 Cb -0.15 -1.70 -0.05 0.00 0.01 0.00 0.00 72.50 70.62 2bc4 s THR 171 CO 0.09 0.29 0.22 -0.31 -0.69 0.00 0.00 174.62 174.22 2bc4 s TYR 172 N 1.39 3.64 0.01 4.92 1.51 -1.06 -0.50 117.35 127.26 2bc4 s TYR 172 Ca 0.01 0.67 0.06 0.00 -1.01 0.00 0.00 57.07 56.80 2bc4 s TYR 172 Cb -0.15 -2.05 -0.02 0.00 -0.11 0.00 0.00 41.96 39.63 2bc4 s TYR 172 CO -0.09 0.70 -0.19 0.99 -1.11 0.00 0.00 175.55 175.85 2bc4 s THR 173 N -1.02 1.48 -0.21 -0.71 2.01 -0.08 -0.41 115.64 116.70 2bc4 s THR 173 Ca 0.18 -0.92 -0.10 0.00 0.31 0.00 0.00 61.69 61.16 2bc4 s THR 173 Cb -0.13 -1.26 -0.05 0.00 0.01 0.00 0.00 72.50 71.07 2bc4 s THR 173 CO 0.07 0.32 0.12 0.00 -0.69 0.00 0.00 174.62 174.44 2bc4 s VAL 175 N 0.67 3.62 -0.15 0.00 1.01 0.17 -2.10 120.40 123.61 2bc4 s VAL 175 Ca 0.07 -0.88 -0.02 0.00 0.00 0.00 0.00 61.98 61.15 2bc4 s VAL 175 Cb -0.12 -2.90 -0.02 0.00 0.00 0.00 0.00 36.38 33.33 2bc4 s VAL 175 CO 0.01 0.05 -0.09 -0.69 0.00 0.00 0.00 175.10 174.39 2bc4 s VAL 176 N 1.43 3.33 -0.15 2.92 1.01 -0.58 -1.22 120.40 127.13 2bc4 s VAL 176 Ca 0.01 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.45 2bc4 s VAL 176 Cb -0.18 -2.44 0.01 0.00 0.00 0.00 0.00 36.38 33.77 2bc4 s VAL 176 CO 0.01 0.50 -0.19 -1.61 0.00 0.00 0.00 175.10 173.80 2bc4 s GLU 177 N 0.57 3.08 -0.05 2.72 2.02 -0.04 -1.40 118.70 125.60 2bc4 s GLU 177 Ca -0.06 -0.81 -0.04 0.00 0.02 0.00 0.00 54.97 54.08 2bc4 s GLU 177 Cb -0.15 -2.53 0.02 0.00 0.10 0.00 0.00 34.13 31.57 2bc4 s GLU 177 CO 0.03 -0.04 0.14 -1.58 0.02 0.00 0.00 175.26 173.83 2bc4 s HIS 178 N 0.91 -0.15 -0.95 1.61 2.46 -1.26 -1.88 115.29 116.02 2bc4 s HIS 178 Ca -0.04 0.40 0.00 0.00 0.47 0.00 0.00 55.06 55.88 2bc4 s HIS 178 Cb -0.15 0.01 0.00 0.00 -0.13 0.00 0.00 32.58 32.31 2bc4 s HIS 178 CO -0.03 -0.10 0.93 0.44 -2.47 0.00 0.00 174.74 173.51 2bc4 n ILE 179 N 3.36 1.74 0.37 0.89 -5.35 -1.26 -0.24 119.36 118.87 2bc4 n ILE 179 Ca -0.16 0.48 0.12 0.00 -0.27 0.00 0.00 62.75 62.91 2bc4 n ILE 179 Cb 0.57 -1.48 0.15 0.00 -1.74 0.00 0.00 39.64 37.14 2bc4 n ILE 179 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 2bc4 h GLY 180 N 0.00 0.00 -6.88 3.28 0.00 -1.83 -3.43 103.07 94.20 2bc4 h GLY 180 Ca 0.00 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.66 2bc4 h GLY 180 CO 0.00 0.00 -0.76 0.00 0.00 0.00 0.00 176.54 175.78 2bc4 s ALA 181 N -3.23 2.66 0.17 3.60 0.00 0.67 -4.21 121.76 121.43 2bc4 s ALA 181 Ca 0.05 -1.36 -0.15 0.00 0.00 0.00 0.00 51.96 50.50 2bc4 s ALA 181 Cb 0.10 -1.61 0.10 0.00 0.00 0.00 0.00 23.12 21.71 2bc4 s ALA 181 CO 0.71 -0.66 1.77 -1.00 0.00 0.00 0.00 175.76 176.58 2bc4 h PRO 182 N 8.02 0.38 -5.98 0.00 0.13 -1.84 -3.41 132.00 129.29 2bc4 h PRO 182 Ca -0.37 -0.02 -0.68 0.00 -0.87 0.00 0.00 66.00 64.06 2bc4 h PRO 182 Cb 1.12 -0.09 -0.15 0.00 0.13 0.00 0.00 31.00 32.02 2bc4 h PRO 182 CO 0.59 0.25 -0.62 -1.21 -0.23 0.00 0.00 178.00 176.78 2bc4 s GLU 183 N -6.14 2.98 0.75 0.86 0.41 -1.26 -5.07 118.70 111.23 2bc4 s GLU 183 Ca -0.13 -0.41 -0.16 0.00 -0.41 0.00 0.00 54.97 53.86 2bc4 s GLU 183 Cb 0.13 -2.79 -0.07 0.00 -1.78 0.00 0.00 34.13 29.61 2bc4 s GLU 183 CO 0.72 0.70 0.14 -2.30 -0.49 0.00 0.00 175.26 174.04 2bc4 n PRO 184 N 2.13 0.13 -3.86 0.39 -0.02 -1.26 -4.95 135.00 127.55 2bc4 n PRO 184 Ca -0.19 0.07 -0.36 0.00 -2.02 0.00 0.00 63.50 61.01 2bc4 n PRO 184 Cb 0.54 -1.52 -0.13 0.00 -0.02 0.00 0.00 33.50 32.36 2bc4 n PRO 184 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2bc4 s ILE 185 N -1.99 3.54 -0.09 4.25 1.01 -0.50 -4.98 121.20 122.45 2bc4 s ILE 185 Ca 0.58 -0.66 -0.03 0.00 0.00 0.00 0.00 60.65 60.55 2bc4 s ILE 185 Cb -0.33 -2.73 -0.03 0.00 0.01 0.00 0.00 42.46 39.37 2bc4 s ILE 185 CO 0.65 0.24 0.02 -0.76 0.00 0.00 0.00 174.94 175.10 2bc4 s LEU 186 N 1.46 3.69 -0.08 2.97 1.43 -1.26 -1.53 118.68 125.36 2bc4 s LEU 186 Ca 0.03 0.19 -0.03 0.00 -1.03 0.00 0.00 54.13 53.29 2bc4 s LEU 186 Cb -0.16 -1.85 0.04 0.00 0.03 0.00 0.00 46.19 44.25 2bc4 s LEU 186 CO -0.01 0.38 0.07 -0.60 0.23 0.00 0.00 176.35 176.42 2bc4 s ARG 187 N -0.89 -0.03 0.30 1.70 6.06 -0.89 -4.96 118.95 120.23 2bc4 s ARG 187 Ca 0.13 0.24 0.01 0.00 -2.50 0.00 0.00 55.73 53.62 2bc4 s ARG 187 Cb -0.11 -0.89 -0.04 0.00 0.06 0.00 0.00 34.95 33.97 2bc4 s ARG 187 CO 0.02 -0.43 0.49 -0.51 -2.50 0.00 0.00 175.30 172.38 2bc4 s ASP 188 N 2.16 6.32 -0.01 -2.12 -0.00 -1.26 -0.44 116.67 121.33 2bc4 s ASP 188 Ca 0.04 0.39 0.01 0.00 -0.00 0.00 0.00 52.55 52.99 2bc4 s ASP 188 Cb -0.13 -2.01 0.00 0.00 -0.00 0.00 0.00 42.92 40.79 2bc4 s ASP 188 CO -0.05 -0.21 -0.01 0.86 -0.00 0.00 0.00 175.17 175.76 2bc4 s TRP 189 N -2.17 0.18 -0.00 4.23 -0.00 0.45 -4.88 118.94 116.75 2bc4 s TRP 189 Ca 0.39 -0.02 0.02 0.00 -0.00 0.00 0.00 56.10 56.49 2bc4 s TRP 189 Cb -0.10 -0.15 -0.01 0.00 -0.00 0.00 0.00 33.47 33.21 2bc4 s TRP 189 CO 0.33 -0.02 -0.07 0.95 -0.00 0.00 0.00 176.95 178.14 2bc4 s THR 190 N 0.15 0.53 0.65 5.86 -4.23 -1.26 -2.56 115.64 114.78 2bc4 s THR 190 Ca -0.01 -0.35 0.37 0.00 -1.18 0.00 0.00 61.69 60.51 2bc4 s THR 190 Cb -0.03 -0.46 0.38 0.00 1.34 0.00 0.00 72.50 73.73 2bc4 s THR 190 CO -0.00 0.11 2.19 -0.65 -0.54 0.00 0.00 174.62 175.72 2bc4 h PRO 191 N 5.86 0.00 0.00 3.99 0.11 -1.93 -3.11 132.00 136.93 2bc4 h PRO 191 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 2bc4 h PRO 191 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2bc4 h PRO 191 CO 0.49 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.69 2bc4 n GLY 192 N -1.20 -1.47 0.30 -0.55 0.00 -1.26 -4.50 105.19 96.51 2bc4 n GLY 192 Ca -0.02 -0.09 0.11 0.00 0.00 0.00 0.00 46.02 46.02 2bc4 n GLY 192 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2bc4 h LEU 193 N 0.00 -0.21 -0.45 0.99 4.07 -1.99 -3.36 115.31 114.35 2bc4 h LEU 193 Ca 0.00 0.21 0.14 0.00 0.08 0.00 0.00 57.88 58.31 2bc4 h LEU 193 Cb 0.50 0.34 -0.08 0.00 1.08 0.00 0.00 40.66 42.49 2bc4 h LEU 193 CO 0.00 -0.21 0.06 -1.54 -1.08 0.00 0.00 178.44 175.67 2bc4 n SER 194 N -5.32 -0.01 0.29 -0.43 3.41 -1.26 -1.98 113.62 108.32 2bc4 n SER 194 Ca 0.19 0.77 0.19 0.00 -0.26 0.00 0.00 58.87 59.76 2bc4 n SER 194 Cb 0.63 -0.30 0.87 0.00 -0.26 0.00 0.00 64.21 65.15 2bc4 n SER 194 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 2bc4 h PRO 195 N 0.00 0.00 -0.84 4.33 0.13 -1.97 -2.74 132.00 130.90 2bc4 h PRO 195 Ca 0.30 0.00 -0.41 0.00 -0.87 0.00 0.00 66.00 65.02 2bc4 h PRO 195 Cb 0.66 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 31.55 2bc4 h PRO 195 CO -0.41 0.00 0.47 -1.33 -0.23 0.00 0.00 178.00 176.50 2bc4 n MET 196 N -3.05 2.40 -4.23 0.86 2.81 -0.84 -4.92 117.12 110.15 2bc4 n MET 196 Ca -0.01 -3.05 -0.17 0.00 -1.81 0.00 0.00 57.70 52.67 2bc4 n MET 196 Cb 0.22 -2.12 -0.14 0.00 -0.71 0.00 0.00 33.22 30.47 2bc4 n MET 196 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 2bc4 s GLN 197 N -3.24 0.61 0.00 0.03 -0.21 -1.04 -5.15 119.66 110.65 2bc4 s GLN 197 Ca 0.54 -0.43 0.00 0.00 0.02 0.00 0.00 55.36 55.50 2bc4 s GLN 197 Cb 0.46 -0.55 0.00 0.00 1.00 0.00 0.00 33.01 33.93 2bc4 s GLN 197 CO 0.09 0.14 0.00 0.25 -2.12 0.00 0.00 175.29 173.65 2bc4 n THR 198 N 2.46 0.00 -0.70 -0.19 -2.24 -1.26 -5.01 114.28 107.34 2bc4 n THR 198 Ca -0.16 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 2bc4 n THR 198 Cb 0.57 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.80 2bc4 n THR 198 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68