#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 1.28 0.10 -4.37 1.01 -1.26 -5.01 120.40 112.15 2bc4 s VAL 4 Ca 0.00 -0.82 0.05 0.00 0.00 0.00 0.00 61.98 61.22 2bc4 s VAL 4 Cb 0.00 -1.09 -0.04 0.00 0.00 0.00 0.00 36.38 35.26 2bc4 s VAL 4 CO 0.00 0.26 -0.13 0.00 0.00 0.00 0.00 175.10 175.23 2bc4 s ALA 5 N -0.53 1.35 0.05 5.51 0.00 -1.26 -0.77 121.76 126.10 2bc4 s ALA 5 Ca 0.05 -1.20 0.06 0.00 0.00 0.00 0.00 51.96 50.87 2bc4 s ALA 5 Cb -0.07 -0.06 -0.02 0.00 0.00 0.00 0.00 23.12 22.97 2bc4 s ALA 5 CO 0.00 0.09 -0.16 -1.01 0.00 0.00 0.00 175.76 174.69 2bc4 s HIS 6 N -1.97 1.39 -0.41 0.00 3.76 -0.19 -4.97 115.29 112.89 2bc4 s HIS 6 Ca 0.05 -0.37 0.03 0.00 -0.15 0.00 0.00 55.06 54.62 2bc4 s HIS 6 Cb -0.06 -0.82 0.16 0.00 1.11 0.00 0.00 32.58 32.97 2bc4 s HIS 6 CO 0.02 0.06 0.30 0.08 -0.85 0.00 0.00 174.74 174.36 2bc4 s VAL 7 N -0.89 0.50 -0.17 -0.90 1.01 -1.26 -1.31 120.40 117.38 2bc4 s VAL 7 Ca 0.03 -2.47 -0.07 0.00 0.00 0.00 0.00 61.98 59.47 2bc4 s VAL 7 Cb -0.08 -1.36 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 2bc4 s VAL 7 CO 0.02 -1.13 0.07 -0.70 0.00 0.00 0.00 175.10 173.36 2bc4 s GLU 8 N 0.28 3.83 0.00 2.72 2.12 -0.44 -4.97 118.70 122.25 2bc4 s GLU 8 Ca 0.27 -0.31 0.06 0.00 0.36 0.00 0.00 54.97 55.35 2bc4 s GLU 8 Cb -0.06 -3.18 -0.03 0.00 0.26 0.00 0.00 34.13 31.11 2bc4 s GLU 8 CO -0.12 0.39 -0.18 -1.12 -0.54 0.00 0.00 175.26 173.68 2bc4 s SER 9 N 0.06 3.76 0.02 -1.70 0.01 -1.26 -1.17 113.70 113.42 2bc4 s SER 9 Ca 0.06 -0.36 0.02 0.00 1.31 0.00 0.00 55.95 56.98 2bc4 s SER 9 Cb -0.12 -0.65 -0.01 0.00 0.21 0.00 0.00 66.02 65.45 2bc4 s SER 9 CO 0.01 0.29 -0.07 0.42 0.41 0.00 0.00 173.24 174.30 2bc4 s THR 10 N -0.82 0.50 -0.05 1.44 -4.23 -0.68 -4.98 115.64 106.82 2bc4 s THR 10 Ca 0.13 -0.66 0.03 0.00 -1.18 0.00 0.00 61.69 60.01 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 0.03 -0.13 -0.13 0.00 -0.54 0.00 0.00 174.62 173.86 2bc4 s LEU 12 N 0.42 3.60 0.13 0.00 1.43 -0.70 -4.99 118.68 118.56 2bc4 s LEU 12 Ca -0.10 -0.71 0.05 0.00 -1.03 0.00 0.00 54.13 52.34 2bc4 s LEU 12 Cb -0.13 -1.82 -0.04 0.00 0.03 0.00 0.00 46.19 44.23 2bc4 s LEU 12 CO 0.03 -0.16 -0.12 -0.76 0.23 0.00 0.00 176.35 175.57 2bc4 s LEU 13 N 1.46 2.45 0.00 1.79 1.02 -1.26 0.29 118.68 124.42 2bc4 s LEU 13 Ca 0.02 -0.88 -0.00 0.00 0.02 0.00 0.00 54.13 53.29 2bc4 s LEU 13 Cb -0.17 -0.44 0.13 0.00 0.02 0.00 0.00 46.19 45.74 2bc4 s LEU 13 CO 0.00 -0.23 0.93 -0.90 0.02 0.00 0.00 176.35 176.17 2bc4 n ASP 14 N 0.28 1.22 -0.05 2.29 5.68 -1.06 -4.91 116.55 120.01 2bc4 n ASP 14 Ca -0.14 -2.04 0.23 0.00 -0.50 0.00 0.00 54.79 52.35 2bc4 n ASP 14 Cb 0.58 -0.60 0.71 0.00 -1.14 0.00 0.00 41.12 40.67 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 -0.57 0.00 1.37 -1.12 3.32 -1.95 -0.94 116.42 116.54 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 1.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.67 2bc4 h ASP 15 CO 0.33 0.00 -0.31 0.00 -1.72 0.00 0.00 179.24 177.54 2bc4 h ALA 16 N 1.64 0.82 0.00 3.45 0.00 -1.97 -3.44 119.26 119.76 2bc4 h ALA 16 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2bc4 h ALA 16 Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 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 1.25 1.02 3.64 0.00 0.00 -0.36 -4.94 105.19 105.80 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 4.62 -0.02 2.61 2.01 -1.26 -4.77 115.64 116.83 2bc4 s THR 18 Ca 0.00 1.78 -0.30 0.00 0.31 0.00 0.00 61.69 63.48 2bc4 s THR 18 Cb 0.00 -4.33 -0.06 0.00 0.01 0.00 0.00 72.50 68.11 2bc4 s THR 18 CO 0.00 -0.32 1.64 -2.16 -0.69 0.00 0.00 174.62 173.09 2bc4 s PRO 19 N 3.37 4.19 -0.17 4.92 0.04 -1.26 -2.55 135.00 143.54 2bc4 s PRO 19 Ca 0.43 2.21 0.16 0.00 0.04 0.00 0.00 61.00 63.84 2bc4 s PRO 19 Cb -0.14 -3.89 -0.22 0.00 0.04 0.00 0.00 34.50 30.30 2bc4 s PRO 19 CO 0.11 -0.81 0.06 1.63 0.04 0.00 0.00 177.00 178.04 2bc4 n LYS 20 N 6.73 1.13 -3.86 4.56 4.76 0.15 -4.99 118.16 126.63 2bc4 n LYS 20 Ca 0.17 -0.01 -0.08 0.00 -2.87 0.00 0.00 58.31 55.52 2bc4 n LYS 20 Cb 0.42 -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 -5.14 -0.24 -0.28 4.39 2.15 -1.01 -4.98 116.67 111.56 2bc4 s ASP 21 Ca -0.09 -0.64 -0.20 0.00 0.43 0.00 0.00 52.55 52.05 2bc4 s ASP 21 Cb 0.05 0.68 0.10 0.00 -0.30 0.00 0.00 42.92 43.45 2bc4 s ASP 21 CO 0.72 -1.26 0.83 0.12 -0.17 0.00 0.00 175.17 175.41 2bc4 s PHE 22 N -3.93 -0.77 0.11 -5.34 5.36 -1.26 -1.72 117.98 110.42 2bc4 s PHE 22 Ca 0.13 1.68 0.04 0.00 -0.96 0.00 0.00 56.93 57.82 2bc4 s PHE 22 Cb -0.04 0.43 -0.04 0.00 -0.34 0.00 0.00 43.02 43.03 2bc4 s PHE 22 CO 0.06 -0.38 -0.10 0.95 -1.46 0.00 0.00 175.22 174.29 2bc4 s THR 23 N 0.97 0.98 -0.25 0.12 -4.23 -0.52 -4.98 115.64 107.74 2bc4 s THR 23 Ca -0.05 -1.81 -0.02 0.00 -1.18 0.00 0.00 61.69 58.63 2bc4 s THR 23 Cb -0.05 -1.56 0.13 0.00 1.34 0.00 0.00 72.50 72.36 2bc4 s THR 23 CO -0.11 -0.66 0.33 -0.47 -0.54 0.00 0.00 174.62 173.17 2bc4 s TYR 24 N -2.87 -0.64 0.03 3.99 6.14 -1.26 -1.68 117.35 121.05 2bc4 s TYR 24 Ca 0.10 0.44 0.04 0.00 0.64 0.00 0.00 57.07 58.30 2bc4 s TYR 24 Cb -0.00 -0.18 -0.02 0.00 0.42 0.00 0.00 41.96 42.18 2bc4 s TYR 24 CO -0.00 -0.76 -0.13 0.00 0.64 0.00 0.00 175.55 175.30 2bc4 s ILE 26 N -0.77 3.97 0.13 0.00 1.09 0.10 -1.32 121.20 124.39 2bc4 s ILE 26 Ca 0.01 -0.35 0.05 0.00 -1.10 0.00 0.00 60.65 59.26 2bc4 s ILE 26 Cb -0.07 -2.70 -0.04 0.00 -1.06 0.00 0.00 42.46 38.58 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 -0.12 1.78 -0.11 3.58 0.01 -0.43 -1.74 113.70 116.67 2bc4 s SER 27 Ca 0.03 -0.94 -0.06 0.00 1.31 0.00 0.00 55.95 56.29 2bc4 s SER 27 Cb -0.13 -0.02 0.04 0.00 0.21 0.00 0.00 66.02 66.13 2bc4 s SER 27 CO 0.02 -0.28 0.25 0.12 0.41 0.00 0.00 173.24 173.76 2bc4 s PHE 28 N -2.94 -0.33 -1.45 2.43 5.36 -0.73 -1.03 117.98 119.29 2bc4 s PHE 28 Ca 0.13 0.78 -0.08 0.00 -0.96 0.00 0.00 56.93 56.80 2bc4 s PHE 28 Cb 0.00 0.06 0.02 0.00 -0.34 0.00 0.00 43.02 42.77 2bc4 s PHE 28 CO 0.01 -0.22 0.91 -1.71 -1.46 0.00 0.00 175.22 172.75 2bc4 n ASN 29 N 4.04 -5.92 -2.23 6.13 5.15 0.05 -1.47 115.26 121.01 2bc4 n ASN 29 Ca -0.23 -0.48 -0.19 0.00 -0.60 0.00 0.00 54.58 53.08 2bc4 n ASN 29 Cb 0.54 -4.72 -0.01 0.00 -0.53 0.00 0.00 39.78 35.06 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 -4.54 -1.58 -4.07 1.20 4.81 -1.26 -4.98 118.16 107.73 2bc4 n LYS 30 Ca -0.03 0.95 -0.33 0.00 -0.87 0.00 0.00 58.31 58.02 2bc4 n LYS 30 Cb 0.58 -5.53 -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 3.77 -0.16 3.14 -1.08 -0.54 -5.08 116.67 114.59 2bc4 s ASP 31 Ca 0.00 -0.90 -0.29 0.00 -0.52 0.00 0.00 52.55 50.84 2bc4 s ASP 31 Cb -0.00 -1.54 -0.03 0.00 -1.46 0.00 0.00 42.92 39.88 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 1.25 4.05 -0.25 -1.34 2.96 -1.26 -1.77 118.68 122.31 2bc4 s LEU 32 Ca 0.00 1.82 -0.11 0.00 -0.22 0.00 0.00 54.13 55.62 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 -1.11 -0.32 0.18 -1.32 0.00 0.00 176.35 173.69 2bc4 n LEU 33 N 7.89 1.91 -3.73 -0.68 4.77 -0.71 -3.77 117.00 122.67 2bc4 n LEU 33 Ca 0.18 0.27 -0.13 0.00 -0.03 0.00 0.00 56.01 56.29 2bc4 n LEU 33 Cb 0.44 -0.76 -0.10 0.00 -2.33 0.00 0.00 43.42 40.68 2bc4 n LEU 33 CO 0.63 0.57 0.08 0.28 -1.33 0.00 0.00 177.39 177.62 2bc4 s THR 34 N -2.47 0.00 0.22 -5.08 -1.32 -1.11 0.93 115.64 106.81 2bc4 s THR 34 Ca -0.35 -0.02 0.04 0.00 -1.21 0.00 0.00 61.69 60.15 2bc4 s THR 34 Cb 0.13 -0.58 -0.05 0.00 -1.51 0.00 0.00 72.50 70.49 2bc4 s THR 34 CO 0.46 -0.01 -0.03 0.00 -2.21 0.00 0.00 174.62 172.82 2bc4 s TRP 36 N -3.34 3.35 -0.37 0.00 -0.11 -0.38 -0.57 118.94 117.52 2bc4 s TRP 36 Ca 0.26 1.35 0.03 0.00 1.22 0.00 0.00 56.10 58.96 2bc4 s TRP 36 Cb 0.05 -3.50 0.10 0.00 -1.50 0.00 0.00 33.47 28.62 2bc4 s TRP 36 CO 0.08 -1.48 0.09 0.34 -4.62 0.00 0.00 176.95 171.36 2bc4 s ASP 37 N 0.18 4.78 0.23 5.86 3.68 0.14 -4.81 116.67 126.73 2bc4 s ASP 37 Ca 0.54 -2.24 -0.06 0.00 2.13 0.00 0.00 52.55 52.92 2bc4 s ASP 37 Cb -0.34 -1.65 0.36 0.00 -1.45 0.00 0.00 42.92 39.83 2bc4 s ASP 37 CO 0.38 -0.38 1.80 -0.65 0.13 0.00 0.00 175.17 176.44 2bc4 h PRO 38 N 7.53 0.67 -1.31 4.34 0.11 -1.95 0.22 132.00 141.61 2bc4 h PRO 38 Ca -0.05 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.02 2bc4 h PRO 38 Cb 1.01 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.97 2bc4 h PRO 38 CO 0.56 0.45 0.00 0.39 -0.21 0.00 0.00 178.00 179.18 2bc4 n GLU 39 N -4.80 0.85 0.00 1.05 1.02 -1.26 -2.44 120.64 115.06 2bc4 n GLU 39 Ca 0.12 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 2bc4 n GLU 39 Cb 0.27 -1.08 0.00 0.00 -0.02 0.00 0.00 31.44 30.61 2bc4 n GLU 39 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2bc4 n GLU 40 N 0.77 0.00 -3.58 3.49 4.07 -0.65 -5.05 120.64 119.69 2bc4 n GLU 40 Ca 0.00 0.00 -0.20 0.00 -0.06 0.00 0.00 57.16 56.90 2bc4 n GLU 40 Cb 0.42 0.00 0.06 0.00 -0.06 0.00 0.00 31.44 31.87 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 -2.49 -3.67 4.31 3.02 0.68 -4.98 115.26 112.13 2bc4 n ASN 41 Ca 0.00 -0.69 -0.01 0.00 -0.03 0.00 0.00 54.58 53.85 2bc4 n ASN 41 Cb 0.00 -4.66 -0.01 0.00 -0.61 0.00 0.00 39.78 34.50 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 -5.78 0.71 0.05 3.52 -2.85 -1.18 -5.02 119.74 109.19 2bc4 s LYS 42 Ca 0.12 -0.39 -0.28 0.00 -1.00 0.00 0.00 55.97 54.43 2bc4 s LYS 42 Cb -0.06 0.24 -0.05 0.00 -2.06 0.00 0.00 37.83 35.91 2bc4 s LYS 42 CO 0.77 -0.33 0.87 -1.64 0.10 0.00 0.00 175.35 175.12 2bc4 s MET 43 N -2.77 4.58 -0.02 1.78 -1.94 -1.26 -0.69 119.30 118.98 2bc4 s MET 43 Ca 0.13 1.25 0.04 0.00 -1.71 0.00 0.00 55.69 55.40 2bc4 s MET 43 Cb 0.02 -3.39 -0.01 0.00 2.01 0.00 0.00 34.83 33.46 2bc4 s MET 43 CO -0.02 0.18 -0.14 0.00 -0.01 0.00 0.00 175.02 175.03 2bc4 s ALA 44 N 0.23 1.21 0.48 3.03 0.00 0.27 -4.83 121.76 122.14 2bc4 s ALA 44 Ca 0.44 -0.59 -0.22 0.00 0.00 0.00 0.00 51.96 51.59 2bc4 s ALA 44 Cb -0.21 -0.35 -0.09 0.00 0.00 0.00 0.00 23.12 22.47 2bc4 s ALA 44 CO 0.26 0.27 0.96 -2.30 0.00 0.00 0.00 175.76 174.95 2bc4 n PRO 45 N 2.90 1.18 0.00 0.00 -0.02 -1.26 -1.95 135.00 135.84 2bc4 n PRO 45 Ca -0.16 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 2bc4 n PRO 45 Cb 0.54 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 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 -1.99 4.14 -0.10 0.00 2.56 -1.09 -4.96 118.70 117.27 2bc4 s GLU 47 Ca 0.00 -0.12 0.15 0.00 0.00 0.00 0.00 54.97 55.00 2bc4 s GLU 47 Cb 0.00 -3.50 0.22 0.00 2.00 0.00 0.00 34.13 32.86 2bc4 s GLU 47 CO 0.00 0.12 1.11 1.19 -0.56 0.00 0.00 175.26 177.12 2bc4 n PHE 48 N 4.05 0.00 -0.52 5.30 3.72 -1.26 -4.17 117.46 124.58 2bc4 n PHE 48 Ca -0.13 -0.86 0.00 0.00 -0.05 0.00 0.00 57.45 56.40 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 -1.20 1.72 0.37 1.37 0.00 -1.26 -4.80 105.19 101.39 2bc4 n GLY 49 Ca 0.12 -1.77 0.13 0.00 0.00 0.00 0.00 46.02 44.50 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 0.79 -0.42 1.61 2.07 -2.06 -1.76 116.25 116.48 2bc4 h VAL 50 Ca 0.00 -0.24 -0.14 0.00 0.82 0.00 0.00 66.70 67.14 2bc4 h VAL 50 Cb 0.00 0.03 -0.08 0.00 -1.52 0.00 0.00 31.29 29.71 2bc4 h VAL 50 CO 0.00 0.13 0.18 0.18 0.02 0.00 0.00 177.57 178.08 2bc4 n LEU 51 N -4.60 4.29 -0.06 2.57 4.77 -1.26 -4.45 117.00 118.26 2bc4 n LEU 51 Ca 0.19 -2.22 -0.11 0.00 -0.03 0.00 0.00 56.01 53.84 2bc4 n LEU 51 Cb 0.52 -0.64 -0.04 0.00 -2.33 0.00 0.00 43.42 40.92 2bc4 n LEU 51 CO 0.28 0.63 0.85 -1.13 -1.33 0.00 0.00 177.39 176.68 2bc4 h ASN 52 N 1.35 0.29 -0.86 -1.43 -1.24 -1.48 -1.49 115.58 110.72 2bc4 h ASN 52 Ca 0.17 -0.18 -0.01 0.00 0.71 0.00 0.00 56.30 56.99 2bc4 h ASN 52 Cb 1.66 -0.08 -0.04 0.00 0.73 0.00 0.00 38.32 40.59 2bc4 h ASN 52 CO 0.43 0.39 0.50 0.77 -1.29 0.00 0.00 177.43 178.24 2bc4 h SER 53 N 0.17 1.05 -0.80 1.15 4.64 -1.84 -1.24 113.55 116.68 2bc4 h SER 53 Ca 0.07 -0.08 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 2bc4 h SER 53 Cb 0.20 -0.27 -0.04 0.00 -0.31 0.00 0.00 62.40 61.98 2bc4 h SER 53 CO -0.00 0.82 0.47 0.25 -0.87 0.00 0.00 176.83 177.50 2bc4 h LEU 54 N 1.19 0.97 -0.94 5.97 6.46 -1.85 0.28 115.31 127.40 2bc4 h LEU 54 Ca 0.31 -0.07 0.03 0.00 -0.12 0.00 0.00 57.88 58.02 2bc4 h LEU 54 Cb -0.02 -0.25 -0.05 0.00 -0.73 0.00 0.00 40.66 39.61 2bc4 h LEU 54 CO -0.05 0.76 0.61 0.00 -0.62 0.00 0.00 178.44 179.14 2bc4 h ALA 55 N 1.25 1.23 -0.20 1.25 0.00 -0.25 0.17 119.26 122.70 2bc4 h ALA 55 Ca 0.28 -0.05 -0.18 0.00 0.00 0.00 0.00 54.91 54.97 2bc4 h ALA 55 Cb -0.02 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.43 2bc4 h ALA 55 CO -0.05 0.51 -0.60 -0.91 0.00 0.00 0.00 179.25 178.20 2bc4 h ASN 56 N 1.20 0.75 -0.54 0.00 2.35 -0.44 -1.96 115.58 116.94 2bc4 h ASN 56 Ca 0.37 -0.42 -0.03 0.00 -0.55 0.00 0.00 56.30 55.67 2bc4 h ASN 56 Cb -0.03 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.10 2bc4 h ASN 56 CO -0.11 1.17 0.21 0.58 -1.65 0.00 0.00 177.43 177.63 2bc4 h VAL 57 N 0.50 1.22 -0.39 2.81 2.07 -0.46 -0.56 116.25 121.45 2bc4 h VAL 57 Ca -0.00 -0.69 -0.14 0.00 0.82 0.00 0.00 66.70 66.69 2bc4 h VAL 57 Cb 1.17 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 2bc4 h VAL 57 CO 0.12 0.26 -0.30 -0.07 0.02 0.00 0.00 177.57 177.60 2bc4 h LEU 58 N 0.73 0.88 -0.53 2.57 3.38 -0.95 -2.21 115.31 119.17 2bc4 h LEU 58 Ca 0.18 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 2bc4 h LEU 58 Cb 0.21 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 2bc4 h LEU 58 CO -0.01 1.11 0.24 0.28 0.09 0.00 0.00 178.44 180.15 2bc4 h SER 59 N 0.71 0.70 0.71 -0.43 0.02 -1.17 -2.08 113.55 112.01 2bc4 h SER 59 Ca 0.08 -0.14 -0.03 0.00 -0.84 0.00 0.00 61.79 60.86 2bc4 h SER 59 Cb 0.86 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.21 2bc4 h SER 59 CO 0.08 0.65 -0.47 1.56 -1.14 0.00 0.00 176.83 177.50 2bc4 h GLN 60 N 0.71 -1.08 -0.91 3.45 4.20 -0.95 0.38 115.11 120.91 2bc4 h GLN 60 Ca 0.18 0.07 0.12 0.00 0.06 0.00 0.00 58.65 59.09 2bc4 h GLN 60 Cb 0.14 0.25 -0.09 0.00 0.30 0.00 0.00 27.48 28.09 2bc4 h GLN 60 CO -0.02 -0.72 0.54 0.45 -0.67 0.00 0.00 178.83 178.40 2bc4 h HIS 61 N -1.12 0.96 -0.19 2.96 3.86 -1.38 -1.96 115.15 118.28 2bc4 h HIS 61 Ca -0.09 0.03 -0.20 0.00 -1.16 0.00 0.00 60.37 58.95 2bc4 h HIS 61 Cb 0.91 -0.29 0.00 0.00 1.06 0.00 0.00 27.41 29.10 2bc4 h HIS 61 CO -0.13 0.34 -0.69 -0.07 0.86 0.00 0.00 177.93 178.24 2bc4 h LEU 62 N 0.83 0.88 -0.77 2.43 3.38 -1.26 -3.12 115.31 117.68 2bc4 h LEU 62 Ca 0.47 -0.54 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2bc4 h LEU 62 Cb 0.53 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2bc4 h LEU 62 CO -0.29 1.33 0.00 0.59 0.09 0.00 0.00 178.44 180.15 2bc4 n ASN 63 N -3.95 0.52 -0.70 -0.43 3.02 0.11 -1.25 115.26 112.59 2bc4 n ASN 63 Ca -0.06 0.66 0.11 0.00 -0.03 0.00 0.00 54.58 55.27 2bc4 n ASN 63 Cb 0.70 -0.76 0.34 0.00 -0.61 0.00 0.00 39.78 39.45 2bc4 n ASN 63 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2bc4 n GLN 64 N -2.11 1.93 -3.28 3.52 6.02 -0.94 -4.71 117.38 117.80 2bc4 n GLN 64 Ca 0.01 -1.38 -0.46 0.00 -0.01 0.00 0.00 57.00 55.15 2bc4 n GLN 64 Cb 0.16 -1.43 -0.03 0.00 1.02 0.00 0.00 30.24 29.95 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 -1.77 3.36 0.27 -1.09 -0.14 -0.38 -4.94 119.74 115.05 2bc4 s LYS 65 Ca 0.34 -2.09 0.01 0.00 -1.36 0.00 0.00 55.97 52.87 2bc4 s LYS 65 Cb 0.19 -4.41 0.61 0.00 -1.68 0.00 0.00 37.83 32.55 2bc4 s LYS 65 CO 0.28 -1.35 1.74 -0.44 -0.76 0.00 0.00 175.35 174.82 2bc4 h ASP 66 N 8.31 0.48 -0.70 2.83 5.19 -1.85 -1.04 116.42 129.64 2bc4 h ASP 66 Ca -0.05 0.11 0.00 0.00 -0.62 0.00 0.00 57.03 56.47 2bc4 h ASP 66 Cb 1.06 0.04 -0.03 0.00 0.18 0.00 0.00 39.33 40.58 2bc4 h ASP 66 CO 0.89 0.15 0.45 0.71 -3.12 0.00 0.00 179.24 178.33 2bc4 h THR 67 N 0.56 1.19 -0.35 0.35 1.35 -1.96 -1.07 112.91 112.98 2bc4 h THR 67 Ca 0.50 -0.37 -0.04 0.00 -0.55 0.00 0.00 66.41 65.95 2bc4 h THR 67 Cb 0.80 0.17 -0.01 0.00 -1.73 0.00 0.00 68.15 67.39 2bc4 h THR 67 CO -0.42 0.19 0.05 0.25 -0.25 0.00 0.00 175.52 175.34 2bc4 h LEU 68 N 0.96 0.56 -0.47 3.87 5.85 -1.57 -0.62 115.31 123.89 2bc4 h LEU 68 Ca 0.26 -0.27 0.03 0.00 0.84 0.00 0.00 57.88 58.74 2bc4 h LEU 68 Cb -0.08 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.76 2bc4 h LEU 68 CO -0.05 0.69 0.25 0.24 -0.34 0.00 0.00 178.44 179.22 2bc4 h MET 69 N 0.41 0.48 -0.41 1.25 2.86 -0.94 0.11 114.93 118.70 2bc4 h MET 69 Ca 0.10 -0.03 -0.08 0.00 -2.06 0.00 0.00 59.70 57.63 2bc4 h MET 69 Cb 0.37 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.91 2bc4 h MET 69 CO 0.01 0.32 -0.09 0.37 1.06 0.00 0.00 176.91 178.58 2bc4 h GLN 70 N 0.49 0.72 -0.20 1.72 4.15 -1.10 -1.05 115.11 119.85 2bc4 h GLN 70 Ca 0.20 -0.22 -0.02 0.00 0.77 0.00 0.00 58.65 59.37 2bc4 h GLN 70 Cb 0.08 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.69 2bc4 h GLN 70 CO -0.12 0.79 0.04 -0.09 -1.93 0.00 0.00 178.83 177.52 2bc4 h ARG 71 N 0.66 0.32 -0.16 1.69 2.43 -0.25 -3.00 114.38 116.08 2bc4 h ARG 71 Ca 0.12 -0.08 -0.13 0.00 -0.81 0.00 0.00 59.98 59.08 2bc4 h ARG 71 Cb 0.54 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 2bc4 h ARG 71 CO 0.03 0.46 -0.45 -0.07 -1.51 0.00 0.00 179.97 178.44 2bc4 h LEU 72 N 0.13 0.41 -1.99 3.80 3.38 -0.67 -2.29 115.31 118.08 2bc4 h LEU 72 Ca 0.06 -0.19 0.06 0.00 0.09 0.00 0.00 57.88 57.91 2bc4 h LEU 72 Cb 0.29 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 2bc4 h LEU 72 CO 0.00 0.80 0.16 0.03 0.09 0.00 0.00 178.44 179.53 2bc4 h ARG 73 N 0.31 0.01 -0.51 1.13 3.08 -1.13 0.71 114.38 117.99 2bc4 h ARG 73 Ca 0.02 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 2bc4 h ARG 73 Cb 0.91 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.96 2bc4 h ARG 73 CO 0.08 0.01 0.00 0.09 -1.07 0.00 0.00 179.97 179.08 2bc4 n ASN 74 N -4.47 5.06 -0.21 7.04 3.02 -0.89 -4.68 115.26 120.13 2bc4 n ASN 74 Ca 0.02 -2.83 0.01 0.00 -0.03 0.00 0.00 54.58 51.75 2bc4 n ASN 74 Cb 0.30 -0.62 0.10 0.00 -0.61 0.00 0.00 39.78 38.95 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 3.46 0.62 0.79 7.41 0.00 -0.48 0.37 103.07 115.24 2bc4 h GLY 75 Ca 0.00 0.11 0.03 0.00 0.00 0.00 0.00 47.33 47.48 2bc4 h GLY 75 CO 0.37 -0.21 0.25 1.41 0.00 0.00 0.00 176.54 178.35 2bc4 h LEU 76 N 0.09 0.38 -0.37 3.11 4.07 -1.83 0.21 115.31 120.96 2bc4 h LEU 76 Ca 0.32 0.02 -0.09 0.00 0.08 0.00 0.00 57.88 58.21 2bc4 h LEU 76 Cb 0.52 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 42.20 2bc4 h LEU 76 CO -0.56 0.26 -0.12 -0.61 -1.08 0.00 0.00 178.44 176.33 2bc4 h GLN 77 N 0.50 0.73 -0.85 1.13 5.75 -1.72 -2.78 115.11 117.87 2bc4 h GLN 77 Ca 0.20 -0.30 0.07 0.00 -0.15 0.00 0.00 58.65 58.47 2bc4 h GLN 77 Cb 0.08 -0.03 -0.06 0.00 1.07 0.00 0.00 27.48 28.54 2bc4 h GLN 77 CO -0.13 0.90 0.52 -0.91 -2.65 0.00 0.00 178.83 176.56 2bc4 h ASN 78 N 0.53 0.80 -0.43 -0.69 -0.26 -0.56 0.03 115.58 115.00 2bc4 h ASN 78 Ca 0.09 0.03 0.03 0.00 -0.56 0.00 0.00 56.30 55.89 2bc4 h ASN 78 Cb 0.65 -0.14 -0.03 0.00 -1.06 0.00 0.00 38.32 37.74 2bc4 h ASN 78 CO 0.04 0.50 0.22 0.00 -1.06 0.00 0.00 177.43 177.13 2bc4 h ALA 80 N 1.22 0.26 -0.33 0.00 0.00 -1.13 -2.46 119.26 116.82 2bc4 h ALA 80 Ca 0.18 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2bc4 h ALA 80 Cb 0.07 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2bc4 h ALA 80 CO -0.12 0.10 0.15 1.15 0.00 0.00 0.00 179.25 180.53 2bc4 h THR 81 N 0.07 1.17 -0.39 0.00 2.02 -0.85 -0.20 112.91 114.72 2bc4 h THR 81 Ca 0.04 -0.49 -0.06 0.00 0.77 0.00 0.00 66.41 66.67 2bc4 h THR 81 Cb 0.60 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 67.87 2bc4 h THR 81 CO 0.03 0.18 0.01 -0.74 0.37 0.00 0.00 175.52 175.36 2bc4 h HIS 82 N 0.40 0.75 0.00 3.16 6.17 -0.82 -3.11 115.15 121.70 2bc4 h HIS 82 Ca 0.11 -0.13 0.00 0.00 0.71 0.00 0.00 60.37 61.06 2bc4 h HIS 82 Cb 0.14 -0.20 0.00 0.00 2.52 0.00 0.00 27.41 29.87 2bc4 h HIS 82 CO -0.01 0.77 -0.26 0.25 0.71 0.00 0.00 177.93 179.38 2bc4 n THR 83 N -4.46 0.15 -0.24 6.26 -2.24 -0.93 -4.37 114.28 108.45 2bc4 n THR 83 Ca -0.01 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 2bc4 n THR 83 Cb 0.28 -0.22 0.07 0.00 -2.10 0.00 0.00 70.33 68.37 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 -0.01 0.00 -0.78 -0.00 -0.95 0.37 115.11 113.74 2bc4 h GLN 84 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.64 2bc4 h GLN 84 Cb 0.58 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 28.06 2bc4 h GLN 84 CO 0.00 -0.01 -0.07 -1.00 0.00 0.00 0.00 178.83 177.75 2bc4 h PRO 85 N -0.01 0.00 0.00 -2.39 0.13 -1.78 -3.34 132.00 124.61 2bc4 h PRO 85 Ca 0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.47 2bc4 h PRO 85 Cb 0.53 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.66 2bc4 h PRO 85 CO -0.73 0.07 -0.89 1.97 -0.23 0.00 0.00 178.00 178.18 2bc4 n PHE 86 N -3.67 0.00 -0.22 1.56 1.16 -0.81 -4.84 117.46 110.64 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 0.18 0.00 0.03 0.00 -1.61 0.00 0.00 39.48 38.08 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 -0.71 -0.93 2.97 2.91 -0.41 -0.36 115.95 119.42 2bc4 h TRP 87 Ca 0.00 0.07 0.10 0.00 1.13 0.00 0.00 58.89 60.19 2bc4 h TRP 87 Cb 0.04 0.41 -0.07 0.00 -0.51 0.00 0.00 29.16 29.03 2bc4 h TRP 87 CO 0.00 -0.35 0.60 0.78 -1.03 0.00 0.00 178.44 178.44 2bc4 h GLY 88 N -0.10 1.40 2.00 2.65 0.00 -1.82 -0.41 103.07 106.79 2bc4 h GLY 88 Ca 0.27 -0.39 -0.01 0.00 0.00 0.00 0.00 47.33 47.20 2bc4 h GLY 88 CO -0.70 0.21 -0.06 1.76 0.00 0.00 0.00 176.54 177.76 2bc4 h SER 89 N 0.95 0.00 0.02 0.19 0.02 -1.40 -2.91 113.55 110.42 2bc4 h SER 89 Ca 0.44 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 61.17 2bc4 h SER 89 Cb 0.40 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.91 2bc4 h SER 89 CO -0.20 0.06 -1.17 -0.07 -1.14 0.00 0.00 176.83 174.31 2bc4 h LEU 90 N 0.00 0.07 -0.64 5.07 3.38 -0.72 -3.02 115.31 119.45 2bc4 h LEU 90 Ca -0.00 -0.64 0.00 0.00 0.09 0.00 0.00 57.88 57.33 2bc4 h LEU 90 Cb 0.51 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.24 2bc4 h LEU 90 CO 0.01 1.47 0.00 0.35 0.09 0.00 0.00 178.44 180.36 2bc4 n THR 91 N -4.33 1.07 0.69 0.22 -2.24 -0.57 -1.45 114.28 107.67 2bc4 n THR 91 Ca -0.29 0.39 0.07 0.00 -2.27 0.00 0.00 64.05 61.96 2bc4 n THR 91 Cb 0.71 -1.31 -0.09 0.00 -2.10 0.00 0.00 70.33 67.53 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 -1.99 0.76 -4.72 3.42 5.15 -1.10 -5.00 115.26 111.78 2bc4 n ASN 92 Ca 0.01 -0.82 -0.42 0.00 -0.60 0.00 0.00 54.58 52.75 2bc4 n ASN 92 Cb 0.14 1.04 -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 -2.49 4.21 0.02 1.20 3.52 -0.53 -5.02 118.95 119.87 2bc4 s ARG 93 Ca 0.05 2.37 -0.12 0.00 -0.13 0.00 0.00 55.73 57.90 2bc4 s ARG 93 Cb 0.12 -3.15 0.01 0.00 -1.56 0.00 0.00 34.95 30.37 2bc4 s ARG 93 CO 0.63 -0.60 0.24 0.95 -0.81 0.00 0.00 175.30 175.71 2bc4 s THR 94 N 1.08 0.08 -0.05 4.11 -4.23 -1.26 -4.46 115.64 110.92 2bc4 s THR 94 Ca 0.70 -0.67 -0.02 0.00 -1.18 0.00 0.00 61.69 60.51 2bc4 s THR 94 Cb -0.44 -0.73 0.03 0.00 1.34 0.00 0.00 72.50 72.71 2bc4 s THR 94 CO 0.32 -0.37 0.08 -0.13 -0.54 0.00 0.00 174.62 173.98 2bc4 s ARG 95 N -1.92 -0.03 0.41 3.99 1.81 0.14 -4.91 118.95 118.44 2bc4 s ARG 95 Ca -0.10 0.38 -0.25 0.00 -1.72 0.00 0.00 55.73 54.03 2bc4 s ARG 95 Cb -0.04 -0.38 -0.08 0.00 -0.45 0.00 0.00 34.95 34.00 2bc4 s ARG 95 CO 0.00 -0.28 1.25 -1.25 -0.68 0.00 0.00 175.30 174.35 2bc4 s PRO 96 N 1.87 3.96 0.30 3.54 0.04 -1.25 -1.64 135.00 141.82 2bc4 s PRO 96 Ca 0.00 2.04 -0.24 0.00 0.04 0.00 0.00 61.00 62.84 2bc4 s PRO 96 Cb -0.12 -2.70 -0.09 0.00 0.04 0.00 0.00 34.50 31.62 2bc4 s PRO 96 CO -0.04 -0.46 0.89 -1.25 0.04 0.00 0.00 177.00 176.18 2bc4 s PRO 97 N -2.29 4.49 0.11 0.56 0.04 -1.26 -4.31 135.00 132.34 2bc4 s PRO 97 Ca 0.58 1.21 -0.06 0.00 0.04 0.00 0.00 61.00 62.76 2bc4 s PRO 97 Cb -0.35 -2.82 -0.05 0.00 0.04 0.00 0.00 34.50 31.31 2bc4 s PRO 97 CO 0.45 0.31 0.37 -1.12 0.04 0.00 0.00 177.00 177.04 2bc4 s SER 98 N -1.63 6.53 -0.06 6.66 0.01 -0.17 -4.91 113.70 120.12 2bc4 s SER 98 Ca 0.48 0.63 -0.06 0.00 1.31 0.00 0.00 55.95 58.32 2bc4 s SER 98 Cb -0.18 -2.11 0.02 0.00 0.21 0.00 0.00 66.02 63.95 2bc4 s SER 98 CO 0.23 0.11 0.17 0.54 0.41 0.00 0.00 173.24 174.70 2bc4 s VAL 99 N -1.54 0.00 -0.05 3.43 0.11 -1.26 -1.78 120.40 119.32 2bc4 s VAL 99 Ca 0.37 -0.01 -0.05 0.00 -2.93 0.00 0.00 61.98 59.36 2bc4 s VAL 99 Cb -0.13 -0.24 0.01 0.00 -1.53 0.00 0.00 36.38 34.49 2bc4 s VAL 99 CO 0.22 -0.01 0.13 -1.10 -3.33 0.00 0.00 175.10 171.01 2bc4 s GLN 100 N 0.06 0.18 0.06 1.54 -1.52 -0.71 -4.98 119.66 114.28 2bc4 s GLN 100 Ca -0.00 0.15 0.06 0.00 -1.95 0.00 0.00 55.36 53.62 2bc4 s GLN 100 Cb -0.01 0.08 -0.04 0.00 -0.22 0.00 0.00 33.01 32.83 2bc4 s GLN 100 CO 0.00 -0.02 -0.14 0.08 -0.25 0.00 0.00 175.29 174.96 2bc4 s VAL 101 N -0.02 3.12 0.06 1.09 1.01 -1.26 -0.49 120.40 123.91 2bc4 s VAL 101 Ca -0.01 -1.15 -0.27 0.00 0.00 0.00 0.00 61.98 60.55 2bc4 s VAL 101 Cb -0.01 -2.37 0.09 0.00 0.00 0.00 0.00 36.38 34.08 2bc4 s VAL 101 CO 0.00 0.27 1.02 0.00 0.00 0.00 0.00 175.10 176.39 2bc4 s ALA 102 N -1.03 -1.82 0.58 5.51 0.00 -1.10 -5.02 121.76 118.87 2bc4 s ALA 102 Ca 0.17 0.53 -0.14 0.00 0.00 0.00 0.00 51.96 52.52 2bc4 s ALA 102 Cb -0.11 0.49 -0.05 0.00 0.00 0.00 0.00 23.12 23.45 2bc4 s ALA 102 CO 0.08 -0.93 1.02 0.15 0.00 0.00 0.00 175.76 176.08 2bc4 s LYS 103 N -3.04 3.64 0.08 0.00 1.02 -1.26 -1.65 119.74 118.53 2bc4 s LYS 103 Ca 0.11 0.94 -0.09 0.00 0.02 0.00 0.00 55.97 56.95 2bc4 s LYS 103 Cb -0.00 -2.09 -0.00 0.00 -0.52 0.00 0.00 37.83 35.22 2bc4 s LYS 103 CO -0.02 -0.53 0.19 -0.08 -0.92 0.00 0.00 175.35 173.99 2bc4 s THR 104 N -2.80 0.14 0.02 2.17 -1.32 -0.65 -4.82 115.64 108.38 2bc4 s THR 104 Ca 0.58 -1.13 -0.30 0.00 -1.21 0.00 0.00 61.69 59.64 2bc4 s THR 104 Cb -0.12 -1.25 -0.08 0.00 -1.51 0.00 0.00 72.50 69.54 2bc4 s THR 104 CO 0.41 -0.62 1.91 -0.89 -2.21 0.00 0.00 174.62 173.22 2bc4 s THR 105 N -3.59 3.12 0.43 5.08 2.01 -1.26 -4.23 115.64 117.20 2bc4 s THR 105 Ca 0.03 0.15 -0.26 0.00 0.31 0.00 0.00 61.69 61.92 2bc4 s THR 105 Cb 0.04 -3.10 -0.09 0.00 0.01 0.00 0.00 72.50 69.36 2bc4 s THR 105 CO -0.10 -0.01 1.43 -2.84 -0.69 0.00 0.00 174.62 172.41 2bc4 s PRO 106 N 4.37 3.80 -0.02 4.92 0.02 -1.26 -4.98 135.00 141.85 2bc4 s PRO 106 Ca 0.86 2.43 -0.14 0.00 0.02 0.00 0.00 61.00 64.17 2bc4 s PRO 106 Cb -0.41 -2.74 0.02 0.00 0.02 0.00 0.00 34.50 31.40 2bc4 s PRO 106 CO 0.39 -0.73 0.29 -0.59 -0.33 0.00 0.00 177.00 176.04 2bc4 s PHE 107 N -1.19 -0.17 -1.49 6.54 -0.12 -1.26 -4.91 117.98 115.38 2bc4 s PHE 107 Ca 0.59 0.26 -0.08 0.00 -0.05 0.00 0.00 56.93 57.65 2bc4 s PHE 107 Cb -0.44 0.08 0.06 0.00 -0.63 0.00 0.00 43.02 42.09 2bc4 s PHE 107 CO 0.57 -0.36 0.71 -1.71 -0.05 0.00 0.00 175.22 174.38 2bc4 n ASN 108 N 1.42 -2.42 -3.65 1.98 4.05 -1.26 -4.95 115.26 110.43 2bc4 n ASN 108 Ca -0.21 -0.91 -0.09 0.00 0.45 0.00 0.00 54.58 53.82 2bc4 n ASN 108 Cb 0.56 -3.41 -0.02 0.00 1.23 0.00 0.00 39.78 38.14 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 -3.57 0.00 -0.04 -0.44 -1.32 -1.26 -5.03 115.64 103.98 2bc4 s THR 109 Ca 0.36 -0.51 0.17 0.00 -1.21 0.00 0.00 61.69 60.49 2bc4 s THR 109 Cb -0.19 -1.52 -0.26 0.00 -1.51 0.00 0.00 72.50 69.03 2bc4 s THR 109 CO 0.87 0.00 0.34 0.54 -2.21 0.00 0.00 174.62 174.16 2bc4 n ARG 110 N -0.42 0.60 -1.61 7.08 1.74 -1.26 -4.99 116.66 117.80 2bc4 n ARG 110 Ca -0.10 -0.14 -0.37 0.00 -0.77 0.00 0.00 57.85 56.46 2bc4 n ARG 110 Cb 0.62 -1.40 0.06 0.00 -1.02 0.00 0.00 32.46 30.71 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 -2.13 0.84 0.11 5.56 -0.58 -1.26 -4.92 120.64 118.25 2bc4 n GLU 111 Ca -0.05 0.33 -0.01 0.00 -0.42 0.00 0.00 57.16 57.01 2bc4 n GLU 111 Cb 0.49 -2.15 -0.03 0.00 -0.57 0.00 0.00 31.44 29.18 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 0.39 0.00 -6.70 3.49 0.13 -1.94 -3.46 132.00 123.90 2bc4 h PRO 112 Ca -0.48 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 63.98 2bc4 h PRO 112 Cb 1.37 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.26 2bc4 h PRO 112 CO 0.50 0.66 -0.87 0.08 -0.23 0.00 0.00 178.00 178.14 2bc4 s VAL 113 N -2.87 2.11 -0.04 1.56 1.01 -0.49 -4.84 120.40 116.85 2bc4 s VAL 113 Ca 0.03 -1.56 -0.01 0.00 0.00 0.00 0.00 61.98 60.43 2bc4 s VAL 113 Cb 0.08 -1.85 0.03 0.00 0.00 0.00 0.00 36.38 34.64 2bc4 s VAL 113 CO 0.77 0.18 0.03 -0.32 0.00 0.00 0.00 175.10 175.77 2bc4 s MET 114 N -1.68 0.14 0.14 2.72 1.75 -1.26 0.34 119.30 121.45 2bc4 s MET 114 Ca 0.12 0.25 -0.03 0.00 -1.25 0.00 0.00 55.69 54.78 2bc4 s MET 114 Cb -0.10 -0.57 -0.05 0.00 2.84 0.00 0.00 34.83 36.95 2bc4 s MET 114 CO 0.04 -0.27 0.34 -0.51 -0.65 0.00 0.00 175.02 173.97 2bc4 s LEU 115 N 1.80 4.28 -0.12 4.11 1.43 0.53 -1.64 118.68 129.06 2bc4 s LEU 115 Ca 0.01 0.47 -0.00 0.00 -1.03 0.00 0.00 54.13 53.57 2bc4 s LEU 115 Cb -0.12 -3.19 0.02 0.00 0.03 0.00 0.00 46.19 42.92 2bc4 s LEU 115 CO -0.03 0.05 -0.09 0.00 0.23 0.00 0.00 176.35 176.51 2bc4 s ALA 116 N -1.68 1.45 -0.43 4.21 0.00 -0.66 -1.89 121.76 122.75 2bc4 s ALA 116 Ca 0.39 -0.62 -0.15 0.00 0.00 0.00 0.00 51.96 51.57 2bc4 s ALA 116 Cb -0.12 -0.93 0.04 0.00 0.00 0.00 0.00 23.12 22.11 2bc4 s ALA 116 CO 0.27 -0.38 0.34 0.00 0.00 0.00 0.00 175.76 175.98 2bc4 s TYR 118 N 1.70 3.55 -0.10 0.00 1.51 0.35 -2.22 117.35 122.14 2bc4 s TYR 118 Ca 0.05 1.15 0.01 0.00 -1.01 0.00 0.00 57.07 57.27 2bc4 s TYR 118 Cb -0.21 -2.75 0.02 0.00 -0.11 0.00 0.00 41.96 38.91 2bc4 s TYR 118 CO 0.09 0.08 -0.11 0.08 -1.11 0.00 0.00 175.55 174.58 2bc4 s VAL 119 N 0.86 1.20 0.26 0.71 1.01 -0.51 -1.74 120.40 122.19 2bc4 s VAL 119 Ca 0.34 -0.45 -0.12 0.00 0.00 0.00 0.00 61.98 61.76 2bc4 s VAL 119 Cb -0.17 -1.15 -0.00 0.00 0.00 0.00 0.00 36.38 35.06 2bc4 s VAL 119 CO 0.16 0.39 0.48 -1.66 0.00 0.00 0.00 175.10 174.46 2bc4 s TRP 120 N 1.22 0.45 0.00 5.22 -2.14 -0.73 -0.79 118.94 122.17 2bc4 s TRP 120 Ca -0.03 -0.80 0.00 0.00 2.66 0.00 0.00 56.10 57.92 2bc4 s TRP 120 Cb -0.14 0.16 0.00 0.00 -3.10 0.00 0.00 33.47 30.39 2bc4 s TRP 120 CO -0.03 -1.01 0.00 0.41 -2.66 0.00 0.00 176.95 173.65 2bc4 n GLY 121 N -0.40 0.33 3.95 3.67 0.00 -0.52 -1.00 105.19 111.21 2bc4 n GLY 121 Ca -0.01 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 -1.66 3.37 -0.28 1.61 -0.12 -1.19 -4.64 117.98 115.08 2bc4 s PHE 122 Ca 0.00 0.28 -0.18 0.00 -0.05 0.00 0.00 56.93 56.98 2bc4 s PHE 122 Cb 0.00 -2.07 0.09 0.00 -0.63 0.00 0.00 43.02 40.41 2bc4 s PHE 122 CO 0.00 -0.08 0.76 -0.47 -0.05 0.00 0.00 175.22 175.38 2bc4 s TYR 123 N -2.41 -0.90 0.41 3.49 5.04 -0.65 -0.53 117.35 121.79 2bc4 s TYR 123 Ca 0.44 1.89 -0.07 0.00 -2.44 0.00 0.00 57.07 56.89 2bc4 s TYR 123 Cb -0.10 0.51 0.10 0.00 0.35 0.00 0.00 41.96 42.82 2bc4 s TYR 123 CO 0.37 -0.45 0.31 -2.30 -1.34 0.00 0.00 175.55 172.14 2bc4 n PRO 124 N 3.79 -2.13 0.23 4.97 -0.02 -1.26 0.27 135.00 140.84 2bc4 n PRO 124 Ca -0.18 -0.50 0.12 0.00 -2.02 0.00 0.00 63.50 60.92 2bc4 n PRO 124 Cb 0.58 -0.53 0.31 0.00 -0.02 0.00 0.00 33.50 33.84 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 -2.33 0.97 -2.47 3.55 0.00 -1.99 -3.46 119.26 113.53 2bc4 h ALA 125 Ca -0.12 -0.06 -0.53 0.00 0.00 0.00 0.00 54.91 54.19 2bc4 h ALA 125 Cb 0.39 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.19 2bc4 h ALA 125 CO 0.08 0.09 0.93 -1.21 0.00 0.00 0.00 179.25 179.13 2bc4 s GLU 126 N -3.34 4.23 -0.13 0.00 8.01 -1.26 -4.64 118.70 121.57 2bc4 s GLU 126 Ca 0.05 2.24 -0.24 0.00 0.01 0.00 0.00 54.97 57.04 2bc4 s GLU 126 Cb 0.07 -3.50 0.06 0.00 -4.31 0.00 0.00 34.13 26.44 2bc4 s GLU 126 CO 0.64 -0.66 0.59 0.54 0.01 0.00 0.00 175.26 176.38 2bc4 s VAL 127 N 2.25 0.01 -0.05 2.63 0.11 -1.26 -4.70 120.40 119.38 2bc4 s VAL 127 Ca 0.71 -0.07 0.05 0.00 -2.93 0.00 0.00 61.98 59.74 2bc4 s VAL 127 Cb -0.38 -0.86 -0.01 0.00 -1.53 0.00 0.00 36.38 33.60 2bc4 s VAL 127 CO 0.31 -0.04 -0.21 0.42 -3.33 0.00 0.00 175.10 172.25 2bc4 s THR 128 N -0.44 1.72 -0.04 5.04 -4.23 -0.78 -2.61 115.64 114.30 2bc4 s THR 128 Ca -0.06 -0.88 0.02 0.00 -1.18 0.00 0.00 61.69 59.59 2bc4 s THR 128 Cb -0.03 -1.47 0.01 0.00 1.34 0.00 0.00 72.50 72.35 2bc4 s THR 128 CO 0.04 0.49 -0.09 -0.63 -0.54 0.00 0.00 174.62 173.89 2bc4 s ILE 129 N -0.07 0.87 0.13 2.99 1.01 -0.86 -0.89 121.20 124.37 2bc4 s ILE 129 Ca -0.03 -0.36 0.03 0.00 0.00 0.00 0.00 60.65 60.29 2bc4 s ILE 129 Cb -0.12 -0.80 -0.04 0.00 0.01 0.00 0.00 42.46 41.50 2bc4 s ILE 129 CO 0.03 0.28 -0.08 0.42 0.00 0.00 0.00 174.94 175.59 2bc4 s THR 130 N 0.52 0.92 0.02 2.92 -4.23 -0.63 -4.56 115.64 110.59 2bc4 s THR 130 Ca -0.09 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 58.48 2bc4 s THR 130 Cb -0.13 -1.79 -0.03 0.00 1.34 0.00 0.00 72.50 71.89 2bc4 s THR 130 CO 0.02 -0.79 -0.14 0.26 -0.54 0.00 0.00 174.62 173.43 2bc4 s TRP 131 N -3.49 2.67 -0.05 3.99 0.52 -1.26 -0.97 118.94 120.36 2bc4 s TRP 131 Ca 0.15 -0.18 0.03 0.00 0.02 0.00 0.00 56.10 56.12 2bc4 s TRP 131 Cb 0.04 -1.52 0.01 0.00 -1.15 0.00 0.00 33.47 30.85 2bc4 s TRP 131 CO -0.02 0.29 -0.13 0.50 0.02 0.00 0.00 176.95 177.61 2bc4 s ARG 132 N -1.40 1.57 -0.26 4.98 3.52 -0.21 -2.04 118.95 125.12 2bc4 s ARG 132 Ca 0.15 -0.46 -0.04 0.00 -0.13 0.00 0.00 55.73 55.25 2bc4 s ARG 132 Cb -0.11 -1.35 0.01 0.00 -1.56 0.00 0.00 34.95 31.95 2bc4 s ARG 132 CO 0.06 0.12 0.00 0.21 -0.81 0.00 0.00 175.30 174.88 2bc4 s LYS 133 N 0.34 3.08 -1.23 5.12 2.20 0.12 -0.25 119.74 129.12 2bc4 s LYS 133 Ca -0.08 -0.84 -0.05 0.00 -0.36 0.00 0.00 55.97 54.65 2bc4 s LYS 133 Cb -0.13 -3.16 0.03 0.00 -1.51 0.00 0.00 37.83 33.07 2bc4 s LYS 133 CO 0.02 -0.37 0.29 0.09 -0.36 0.00 0.00 175.35 175.03 2bc4 n ASN 134 N 4.78 -4.16 0.00 1.43 3.02 0.71 -1.20 115.26 119.85 2bc4 n ASN 134 Ca -0.16 -0.12 0.00 0.00 -0.03 0.00 0.00 54.58 54.27 2bc4 n ASN 134 Cb 0.48 -3.46 0.00 0.00 -0.61 0.00 0.00 39.78 36.19 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 -1.06 0.58 3.44 7.41 0.00 -1.26 -5.04 105.19 109.27 2bc4 n GLY 135 Ca -0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.81 2.48 0.57 1.61 1.02 -0.34 -5.01 119.74 119.26 2bc4 s LYS 136 Ca 0.00 -0.73 -0.20 0.00 0.02 0.00 0.00 55.97 55.06 2bc4 s LYS 136 Cb 0.00 -2.33 -0.06 0.00 -0.52 0.00 0.00 37.83 34.92 2bc4 s LYS 136 CO 0.00 0.59 1.01 -0.11 -0.92 0.00 0.00 175.35 175.92 2bc4 n LEU 137 N 2.39 3.71 -4.14 3.17 7.94 -1.26 0.11 117.00 128.92 2bc4 n LEU 137 Ca -0.17 0.86 -0.10 0.00 -1.11 0.00 0.00 56.01 55.48 2bc4 n LEU 137 Cb 0.52 -1.40 -0.09 0.00 0.53 0.00 0.00 43.42 42.97 2bc4 n LEU 137 CO 0.25 -1.67 -0.22 0.68 -1.11 0.00 0.00 177.39 175.32 2bc4 s VAL 138 N -1.46 0.06 -1.47 1.96 -7.23 -0.86 -4.77 120.40 106.63 2bc4 s VAL 138 Ca 0.73 -1.86 -0.07 0.00 -1.81 0.00 0.00 61.98 58.97 2bc4 s VAL 138 Cb -0.44 -2.18 0.05 0.00 0.56 0.00 0.00 36.38 34.37 2bc4 s VAL 138 CO 0.49 -0.27 0.71 0.23 -0.31 0.00 0.00 175.10 175.95 2bc4 n MET 139 N -0.18 -4.31 -0.15 4.82 2.81 -1.26 -4.57 117.12 114.28 2bc4 n MET 139 Ca -0.03 0.51 0.25 0.00 -1.81 0.00 0.00 57.70 56.61 2bc4 n MET 139 Cb 0.64 -5.06 0.67 0.00 -0.71 0.00 0.00 33.22 28.77 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 -1.86 0.09 -0.70 0.03 0.11 -1.97 -1.43 132.00 126.27 2bc4 h PRO 140 Ca -0.60 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.50 2bc4 h PRO 140 Cb 1.37 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.46 2bc4 h PRO 140 CO 0.65 0.06 0.00 0.72 -0.21 0.00 0.00 178.00 179.22 2bc4 n HIS 141 N -4.34 0.48 -2.44 0.65 8.25 -1.26 -4.88 115.22 111.68 2bc4 n HIS 141 Ca 0.17 -0.18 -0.24 0.00 -0.26 0.00 0.00 57.72 57.21 2bc4 n HIS 141 Cb 0.83 -0.15 0.08 0.00 1.12 0.00 0.00 29.99 31.86 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 -0.42 4.74 -0.66 0.41 0.15 -0.54 -5.03 113.70 112.34 2bc4 s SER 142 Ca 0.14 0.06 -0.18 0.00 0.70 0.00 0.00 55.95 56.67 2bc4 s SER 142 Cb 0.10 -0.68 0.13 0.00 -1.71 0.00 0.00 66.02 63.86 2bc4 s SER 142 CO 0.06 -1.59 0.73 -0.44 1.20 0.00 0.00 173.24 173.20 2bc4 s SER 143 N -4.57 6.32 0.36 5.45 0.01 -1.26 -4.91 113.70 115.10 2bc4 s SER 143 Ca 0.62 -1.74 0.07 0.00 1.31 0.00 0.00 55.95 56.21 2bc4 s SER 143 Cb -0.09 -2.29 0.69 0.00 0.21 0.00 0.00 66.02 64.54 2bc4 s SER 143 CO 0.43 -1.00 1.89 0.00 0.41 0.00 0.00 173.24 174.98 2bc4 h ALA 144 N 8.90 1.43 -1.34 1.44 0.00 -1.94 -3.38 119.26 124.37 2bc4 h ALA 144 Ca -0.19 -0.20 -0.54 0.00 0.00 0.00 0.00 54.91 53.98 2bc4 h ALA 144 Cb 1.07 -0.12 -0.08 0.00 0.00 0.00 0.00 17.79 18.67 2bc4 h ALA 144 CO 1.04 0.40 1.11 -3.38 0.00 0.00 0.00 179.25 178.42 2bc4 s HIS 145 N -4.85 2.27 0.36 0.00 -3.43 -1.26 -2.03 115.29 106.35 2bc4 s HIS 145 Ca -0.07 -0.08 -0.11 0.00 -0.80 0.00 0.00 55.06 54.00 2bc4 s HIS 145 Cb 0.15 -4.61 -0.07 0.00 -1.43 0.00 0.00 32.58 26.62 2bc4 s HIS 145 CO 0.75 -2.08 0.72 0.15 -2.00 0.00 0.00 174.74 172.29 2bc4 s LYS 146 N 5.73 3.83 -0.02 -0.38 -0.14 -1.07 -5.06 119.74 122.63 2bc4 s LYS 146 Ca 0.37 0.46 -0.12 0.00 -1.36 0.00 0.00 55.97 55.33 2bc4 s LYS 146 Cb -0.07 -2.45 -0.05 0.00 -1.68 0.00 0.00 37.83 33.58 2bc4 s LYS 146 CO 0.13 0.07 0.34 0.95 -0.76 0.00 0.00 175.35 176.08 2bc4 s THR 147 N -2.19 5.16 0.08 2.17 -4.23 -1.26 -4.55 115.64 110.82 2bc4 s THR 147 Ca 0.51 0.63 0.10 0.00 -1.18 0.00 0.00 61.69 61.75 2bc4 s THR 147 Cb -0.10 -3.63 -0.03 0.00 1.34 0.00 0.00 72.50 70.08 2bc4 s THR 147 CO 0.26 0.56 -0.25 0.00 -0.54 0.00 0.00 174.62 174.65 2bc4 s ALA 148 N -1.10 2.35 -0.16 3.99 0.00 -1.26 -4.82 121.76 120.76 2bc4 s ALA 148 Ca 0.23 -1.34 -0.23 0.00 0.00 0.00 0.00 51.96 50.62 2bc4 s ALA 148 Cb -0.15 -0.48 -0.02 0.00 0.00 0.00 0.00 23.12 22.47 2bc4 s ALA 148 CO 0.12 0.54 0.71 -1.14 0.00 0.00 0.00 175.76 175.99 2bc4 s GLN 149 N -1.59 4.29 0.30 0.00 2.00 -0.11 -4.88 119.66 119.67 2bc4 s GLN 149 Ca 0.13 0.80 -0.28 0.00 -2.00 0.00 0.00 55.36 54.02 2bc4 s GLN 149 Cb -0.10 -3.55 -0.09 0.00 0.80 0.00 0.00 33.01 30.07 2bc4 s GLN 149 CO 0.04 -0.21 0.99 -1.25 -0.50 0.00 0.00 175.29 174.37 2bc4 s PRO 150 N 1.77 4.61 0.00 1.67 0.04 -1.26 -1.91 135.00 139.92 2bc4 s PRO 150 Ca 0.34 1.51 0.24 0.00 0.04 0.00 0.00 61.00 63.13 2bc4 s PRO 150 Cb -0.16 -2.99 0.36 0.00 0.04 0.00 0.00 34.50 31.74 2bc4 s PRO 150 CO 0.12 0.27 1.31 0.09 0.04 0.00 0.00 177.00 178.83 2bc4 n ASN 151 N 0.88 0.97 0.00 6.66 3.02 -0.50 -4.95 115.26 121.34 2bc4 n ASN 151 Ca 0.01 -0.77 0.00 0.00 -0.03 0.00 0.00 54.58 53.79 2bc4 n ASN 151 Cb 0.48 0.40 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 1.44 1.85 1.00 7.41 0.00 -1.26 -4.87 105.19 110.76 2bc4 n GLY 152 Ca 0.08 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.10 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 2.87 -0.72 1.61 5.75 -1.26 -4.93 116.55 119.87 2bc4 n ASP 153 Ca 0.00 -3.51 -0.07 0.00 -0.01 0.00 0.00 54.79 51.20 2bc4 n ASP 153 Cb 0.00 -0.59 -0.01 0.00 -1.03 0.00 0.00 41.12 39.49 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 -0.97 -0.27 -4.12 2.11 7.02 -1.26 -5.04 117.44 114.91 2bc4 n TRP 154 Ca 0.28 0.00 -0.12 0.00 -1.02 0.00 0.00 57.50 56.65 2bc4 n TRP 154 Cb 0.96 -1.87 -0.11 0.00 -2.42 0.00 0.00 31.31 27.88 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 -2.32 0.63 0.30 -0.99 -4.23 -1.26 -4.64 115.64 103.13 2bc4 s THR 155 Ca 0.00 -1.57 0.03 0.00 -1.18 0.00 0.00 61.69 58.96 2bc4 s THR 155 Cb 0.00 -1.23 -0.05 0.00 1.34 0.00 0.00 72.50 72.56 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 -2.68 1.75 0.00 3.99 1.51 0.31 -1.41 117.35 120.82 2bc4 s TYR 156 Ca 0.03 -1.11 -0.20 0.00 -1.01 0.00 0.00 57.07 54.78 2bc4 s TYR 156 Cb -0.01 -1.08 0.04 0.00 -0.11 0.00 0.00 41.96 40.79 2bc4 s TYR 156 CO -0.03 -0.20 0.43 1.14 -1.11 0.00 0.00 175.55 175.79 2bc4 s GLN 157 N -3.93 0.86 0.36 -0.62 -2.07 -0.80 -1.44 119.66 112.01 2bc4 s GLN 157 Ca 0.36 -0.16 -0.17 0.00 -1.82 0.00 0.00 55.36 53.58 2bc4 s GLN 157 Cb 0.08 0.39 0.05 0.00 -1.09 0.00 0.00 33.01 32.43 2bc4 s GLN 157 CO 0.15 -0.27 0.77 -0.08 -1.32 0.00 0.00 175.29 174.54 2bc4 s THR 158 N -1.74 0.00 -0.02 3.63 -1.32 0.03 -0.93 115.64 115.30 2bc4 s THR 158 Ca -0.10 -1.01 -0.21 0.00 -1.21 0.00 0.00 61.69 59.16 2bc4 s THR 158 Cb -0.02 -2.68 0.04 0.00 -1.51 0.00 0.00 72.50 68.33 2bc4 s THR 158 CO 0.03 0.00 0.46 -1.48 -2.21 0.00 0.00 174.62 171.42 2bc4 s LEU 159 N -3.04 0.21 0.09 9.08 0.05 -1.26 -1.42 118.68 122.39 2bc4 s LEU 159 Ca 0.15 0.30 0.09 0.00 0.05 0.00 0.00 54.13 54.72 2bc4 s LEU 159 Cb -0.05 1.82 -0.03 0.00 -2.05 0.00 0.00 46.19 45.87 2bc4 s LEU 159 CO 0.11 -0.55 -0.24 -0.55 -0.55 0.00 0.00 176.35 174.57 2bc4 s SER 160 N -1.40 2.88 0.29 1.48 0.15 -0.94 -4.94 113.70 111.22 2bc4 s SER 160 Ca -0.11 -0.65 0.10 0.00 0.70 0.00 0.00 55.95 55.99 2bc4 s SER 160 Cb -0.03 -0.21 -0.05 0.00 -1.71 0.00 0.00 66.02 64.03 2bc4 s SER 160 CO 0.05 0.16 -0.05 -1.00 1.20 0.00 0.00 173.24 173.60 2bc4 s HIS 161 N -0.98 2.55 -0.24 3.44 3.76 -1.26 -0.78 115.29 121.78 2bc4 s HIS 161 Ca 0.10 -0.30 -0.03 0.00 -0.15 0.00 0.00 55.06 54.67 2bc4 s HIS 161 Cb -0.10 -1.22 0.13 0.00 1.11 0.00 0.00 32.58 32.50 2bc4 s HIS 161 CO 0.04 0.61 0.39 -1.17 -0.85 0.00 0.00 174.74 173.76 2bc4 s LEU 162 N -3.65 -0.67 0.07 0.89 2.96 -0.79 -4.95 118.68 112.54 2bc4 s LEU 162 Ca 0.32 0.36 -0.21 0.00 -0.22 0.00 0.00 54.13 54.38 2bc4 s LEU 162 Cb -0.04 1.19 -0.07 0.00 0.50 0.00 0.00 46.19 47.77 2bc4 s LEU 162 CO 0.19 -0.29 0.62 0.00 -1.32 0.00 0.00 176.35 175.54 2bc4 s ALA 163 N 2.57 3.54 0.31 5.97 0.00 -1.26 -0.35 121.76 132.54 2bc4 s ALA 163 Ca 0.11 0.10 -0.19 0.00 0.00 0.00 0.00 51.96 51.98 2bc4 s ALA 163 Cb -0.15 -2.72 0.03 0.00 0.00 0.00 0.00 23.12 20.28 2bc4 s ALA 163 CO -0.16 0.32 0.76 -0.48 0.00 0.00 0.00 175.76 176.21 2bc4 s LEU 164 N -0.90 -0.16 -0.19 0.00 0.05 0.15 -4.97 118.68 112.66 2bc4 s LEU 164 Ca 0.31 -0.79 -0.01 0.00 0.05 0.00 0.00 54.13 53.69 2bc4 s LEU 164 Cb -0.20 2.74 0.01 0.00 -2.05 0.00 0.00 46.19 46.69 2bc4 s LEU 164 CO 0.20 -1.45 -0.15 -0.89 -0.55 0.00 0.00 176.35 173.52 2bc4 s THR 165 N -3.31 2.53 0.59 5.48 2.01 -1.26 -1.39 115.64 120.28 2bc4 s THR 165 Ca 0.13 -0.78 -0.18 0.00 0.31 0.00 0.00 61.69 61.16 2bc4 s THR 165 Cb -0.05 -2.10 -0.04 0.00 0.01 0.00 0.00 72.50 70.32 2bc4 s THR 165 CO 0.08 0.50 1.15 -2.16 -0.69 0.00 0.00 174.62 173.51 2bc4 s PRO 166 N 1.33 3.08 0.00 4.92 0.04 -1.26 -5.01 135.00 138.09 2bc4 s PRO 166 Ca 0.05 1.65 0.00 0.00 0.04 0.00 0.00 61.00 62.74 2bc4 s PRO 166 Cb -0.14 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.44 2bc4 s PRO 166 CO -0.09 -1.08 0.85 0.43 0.04 0.00 0.00 177.00 177.15 2bc4 n SER 167 N -1.65 0.00 0.00 6.66 7.64 -1.26 -5.04 113.62 119.97 2bc4 n SER 167 Ca 0.12 -1.72 0.00 0.00 1.01 0.00 0.00 58.87 58.28 2bc4 n SER 167 Cb 0.51 -0.14 0.00 0.00 -1.01 0.00 0.00 64.21 63.56 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 0.00 0.00 0.51 1.43 0.53 -1.26 -4.23 117.16 114.15 2bc4 n TYR 168 Ca 0.00 0.00 0.07 0.00 -1.02 0.00 0.00 57.90 56.95 2bc4 n TYR 168 Cb 0.64 -0.15 -0.08 0.00 -1.03 0.00 0.00 39.34 38.72 2bc4 n TYR 168 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 2bc4 n GLY 169 N -0.34 -0.35 3.76 2.72 0.00 -1.26 -4.83 105.19 104.89 2bc4 n GLY 169 Ca 0.00 -0.37 -0.40 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.53 7.51 -0.13 1.61 1.01 -1.26 -5.02 116.67 117.85 2bc4 s ASP 170 Ca 0.03 1.78 0.02 0.00 0.71 0.00 0.00 52.55 55.09 2bc4 s ASP 170 Cb 0.10 -2.55 0.01 0.00 1.01 0.00 0.00 42.92 41.49 2bc4 s ASP 170 CO 0.56 0.17 -0.18 -0.89 0.21 0.00 0.00 175.17 175.04 2bc4 s THR 171 N -1.08 1.77 -0.13 -1.27 2.01 -1.26 -4.39 115.64 111.29 2bc4 s THR 171 Ca 0.39 -0.79 -0.05 0.00 0.31 0.00 0.00 61.69 61.55 2bc4 s THR 171 Cb -0.24 -1.60 -0.04 0.00 0.01 0.00 0.00 72.50 70.64 2bc4 s THR 171 CO 0.29 0.49 0.04 -0.31 -0.69 0.00 0.00 174.62 174.44 2bc4 s TYR 172 N 1.02 3.24 -0.09 4.92 1.51 0.26 -0.21 117.35 128.01 2bc4 s TYR 172 Ca -0.04 0.15 0.03 0.00 -1.01 0.00 0.00 57.07 56.21 2bc4 s TYR 172 Cb -0.15 -1.92 0.00 0.00 -0.11 0.00 0.00 41.96 39.79 2bc4 s TYR 172 CO -0.04 0.36 -0.21 0.99 -1.11 0.00 0.00 175.55 175.54 2bc4 s THR 173 N -0.37 1.81 -0.25 -0.71 2.01 0.65 -0.46 115.64 118.32 2bc4 s THR 173 Ca 0.08 -0.87 -0.16 0.00 0.31 0.00 0.00 61.69 61.06 2bc4 s THR 173 Cb -0.12 -1.58 -0.03 0.00 0.01 0.00 0.00 72.50 70.78 2bc4 s THR 173 CO 0.02 0.50 0.42 0.00 -0.69 0.00 0.00 174.62 174.87 2bc4 s VAL 175 N 1.96 4.27 -0.17 0.00 1.01 -0.14 -1.85 120.40 125.47 2bc4 s VAL 175 Ca 0.18 -0.57 -0.03 0.00 0.00 0.00 0.00 61.98 61.56 2bc4 s VAL 175 Cb -0.15 -3.19 -0.02 0.00 0.00 0.00 0.00 36.38 33.02 2bc4 s VAL 175 CO 0.09 0.07 -0.06 -0.69 0.00 0.00 0.00 175.10 174.51 2bc4 s VAL 176 N 1.55 3.50 -0.13 2.92 1.01 0.50 -1.61 120.40 128.15 2bc4 s VAL 176 Ca 0.04 -0.48 0.02 0.00 0.00 0.00 0.00 61.98 61.55 2bc4 s VAL 176 Cb -0.17 -2.54 -0.00 0.00 0.00 0.00 0.00 36.38 33.67 2bc4 s VAL 176 CO 0.04 0.48 -0.19 -1.61 0.00 0.00 0.00 175.10 173.82 2bc4 s GLU 177 N 0.69 3.16 -0.17 2.72 2.02 -0.07 -0.80 118.70 126.27 2bc4 s GLU 177 Ca -0.03 -0.80 -0.11 0.00 0.02 0.00 0.00 54.97 54.05 2bc4 s GLU 177 Cb -0.15 -2.49 0.05 0.00 0.10 0.00 0.00 34.13 31.64 2bc4 s GLU 177 CO 0.02 0.10 0.41 -1.58 0.02 0.00 0.00 175.26 174.23 2bc4 s HIS 178 N 0.58 -0.56 0.38 1.61 2.46 -1.26 -1.87 115.29 116.63 2bc4 s HIS 178 Ca -0.11 1.24 0.25 0.00 0.47 0.00 0.00 55.06 56.91 2bc4 s HIS 178 Cb -0.16 0.23 1.36 0.00 -0.13 0.00 0.00 32.58 33.88 2bc4 s HIS 178 CO 0.03 -0.30 1.74 -0.84 -2.47 0.00 0.00 174.74 172.90 2bc4 h ILE 179 N 5.18 0.00 0.00 0.89 -2.65 -1.94 0.41 117.51 119.40 2bc4 h ILE 179 Ca -0.33 0.00 0.00 0.00 1.03 0.00 0.00 64.86 65.56 2bc4 h ILE 179 Cb 1.18 0.56 0.00 0.00 -2.05 0.00 0.00 36.82 36.51 2bc4 h ILE 179 CO 0.28 0.00 0.00 0.61 0.03 0.00 0.00 178.15 179.07 2bc4 n GLY 180 N -1.24 -1.24 2.97 0.16 0.00 -1.26 -4.63 105.19 99.95 2bc4 n GLY 180 Ca -0.02 -0.14 -0.29 0.00 0.00 0.00 0.00 46.02 45.57 2bc4 n GLY 180 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bc4 s ALA 181 N -2.52 1.65 0.32 4.61 0.00 0.14 -3.85 121.76 122.11 2bc4 s ALA 181 Ca 0.30 -0.80 0.05 0.00 0.00 0.00 0.00 51.96 51.51 2bc4 s ALA 181 Cb 0.20 -1.03 0.69 0.00 0.00 0.00 0.00 23.12 22.98 2bc4 s ALA 181 CO 0.44 -0.47 1.86 -1.00 0.00 0.00 0.00 175.76 176.59 2bc4 h PRO 182 N 8.10 0.82 -6.35 0.00 0.13 -1.82 -3.42 132.00 129.45 2bc4 h PRO 182 Ca -0.33 -0.05 -0.61 0.00 -0.87 0.00 0.00 66.00 64.14 2bc4 h PRO 182 Cb 1.13 -0.18 -0.18 0.00 0.13 0.00 0.00 31.00 31.90 2bc4 h PRO 182 CO 0.47 0.54 -0.80 -1.21 -0.23 0.00 0.00 178.00 176.77 2bc4 s GLU 183 N -5.81 1.46 0.69 0.86 0.41 -1.26 -5.10 118.70 109.96 2bc4 s GLU 183 Ca -0.11 -1.52 -0.16 0.00 -0.41 0.00 0.00 54.97 52.76 2bc4 s GLU 183 Cb 0.22 -1.68 -0.02 0.00 -1.78 0.00 0.00 34.13 30.88 2bc4 s GLU 183 CO 0.80 0.35 0.86 -2.30 -0.49 0.00 0.00 175.26 174.47 2bc4 n PRO 184 N 0.16 0.53 -4.37 0.39 -0.02 -1.26 -4.90 135.00 125.52 2bc4 n PRO 184 Ca -0.12 0.23 -0.34 0.00 -2.02 0.00 0.00 63.50 61.26 2bc4 n PRO 184 Cb 0.57 -2.11 -0.13 0.00 -0.02 0.00 0.00 33.50 31.81 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 -1.77 3.60 -0.04 4.25 1.01 0.02 -4.94 121.20 123.34 2bc4 s ILE 185 Ca 0.72 -0.45 0.06 0.00 0.00 0.00 0.00 60.65 60.98 2bc4 s ILE 185 Cb -0.36 -2.58 -0.02 0.00 0.01 0.00 0.00 42.46 39.50 2bc4 s ILE 185 CO 0.51 0.48 -0.22 -0.76 0.00 0.00 0.00 174.94 174.96 2bc4 s LEU 186 N 0.63 2.29 -0.08 2.97 1.43 -1.26 -0.37 118.68 124.29 2bc4 s LEU 186 Ca -0.03 -0.38 -0.01 0.00 -1.03 0.00 0.00 54.13 52.68 2bc4 s LEU 186 Cb -0.15 -1.42 0.03 0.00 0.03 0.00 0.00 46.19 44.68 2bc4 s LEU 186 CO 0.03 0.32 -0.03 -0.13 0.23 0.00 0.00 176.35 176.76 2bc4 s ARG 187 N -0.57 0.89 0.31 1.70 3.00 -0.77 -4.96 118.95 118.54 2bc4 s ARG 187 Ca 0.08 -0.02 -0.01 0.00 0.00 0.00 0.00 55.73 55.78 2bc4 s ARG 187 Cb -0.11 -1.11 -0.04 0.00 0.00 0.00 0.00 34.95 33.70 2bc4 s ARG 187 CO 0.00 -0.25 0.52 -0.51 0.00 0.00 0.00 175.30 175.06 2bc4 s ASP 188 N 1.71 6.35 -0.14 0.23 -0.00 -1.26 -0.71 116.67 122.85 2bc4 s ASP 188 Ca 0.02 0.51 -0.14 0.00 -0.00 0.00 0.00 52.55 52.94 2bc4 s ASP 188 Cb -0.13 -2.06 0.04 0.00 -0.00 0.00 0.00 42.92 40.78 2bc4 s ASP 188 CO -0.05 -0.23 0.39 0.86 -0.00 0.00 0.00 175.17 176.14 2bc4 s TRP 189 N -2.18 -0.42 0.04 4.23 -0.00 0.39 -4.87 118.94 116.13 2bc4 s TRP 189 Ca 0.41 1.03 -0.01 0.00 -0.00 0.00 0.00 56.10 57.52 2bc4 s TRP 189 Cb -0.10 0.15 -0.03 0.00 -0.00 0.00 0.00 33.47 33.49 2bc4 s TRP 189 CO 0.33 -0.21 -0.01 0.95 -0.00 0.00 0.00 176.95 178.01 2bc4 s THR 190 N 0.17 0.17 0.53 5.86 -4.23 -1.26 -0.57 115.64 116.30 2bc4 s THR 190 Ca -0.00 -1.40 0.18 0.00 -1.18 0.00 0.00 61.69 59.29 2bc4 s THR 190 Cb -0.03 -1.01 0.29 0.00 1.34 0.00 0.00 72.50 73.09 2bc4 s THR 190 CO 0.01 -0.77 2.15 -0.65 -0.54 0.00 0.00 174.62 174.81 2bc4 h PRO 191 N 3.72 0.00 -2.13 3.99 0.11 -1.89 -3.08 132.00 132.72 2bc4 h PRO 191 Ca -0.33 0.00 -0.78 0.00 0.11 0.00 0.00 66.00 65.00 2bc4 h PRO 191 Cb 1.17 0.00 -0.28 0.00 0.11 0.00 0.00 31.00 32.00 2bc4 h PRO 191 CO 0.55 0.00 0.90 0.41 -0.21 0.00 0.00 178.00 179.65 2bc4 n GLY 192 N -1.53 5.89 0.00 -0.55 0.00 -1.26 -5.02 105.19 102.71 2bc4 n GLY 192 Ca -0.02 -2.56 0.00 0.00 0.00 0.00 0.00 46.02 43.44 2bc4 n GLY 192 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22