#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pr5 s THR 2 N 0.00 2.02 -1.34 0.00 -4.23 -0.98 -5.03 115.64 106.08 1pr5 s THR 2 Ca 0.00 -2.06 0.17 0.00 -1.18 0.00 0.00 61.69 58.61 1pr5 s THR 2 Cb 0.00 -2.88 0.26 0.00 1.34 0.00 0.00 72.50 71.22 1pr5 s THR 2 CO 0.00 -0.06 1.49 -0.81 -0.54 0.00 0.00 174.62 174.70 1pr5 n PRO 3 N -0.90 0.19 0.00 3.99 -0.04 -1.26 -3.08 135.00 133.90 1pr5 n PRO 3 Ca -0.05 0.15 0.01 0.00 -0.04 0.00 0.00 63.50 63.57 1pr5 n PRO 3 Cb 0.66 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.62 1pr5 n PRO 3 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1pr5 n HIS 4 N -1.33 0.00 -3.62 0.54 8.25 -1.26 -4.97 115.22 112.83 1pr5 n HIS 4 Ca 0.07 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.35 1pr5 n HIS 4 Cb 0.14 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.10 1pr5 n HIS 4 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1pr5 s ILE 5 N -0.86 -0.27 -1.06 1.59 1.01 -1.18 -4.57 121.20 115.87 1pr5 s ILE 5 Ca 0.01 0.20 -0.02 0.00 0.00 0.00 0.00 60.65 60.84 1pr5 s ILE 5 Cb 0.01 -0.42 0.30 0.00 0.01 0.00 0.00 42.46 42.36 1pr5 s ILE 5 CO 0.05 0.03 1.89 -0.46 0.00 0.00 0.00 174.94 176.44 1pr5 n ASN 6 N 5.32 7.43 -4.41 3.58 2.04 -1.26 -2.32 115.26 125.65 1pr5 n ASN 6 Ca -0.05 -3.62 -0.30 0.00 -0.44 0.00 0.00 54.58 50.16 1pr5 n ASN 6 Cb 0.50 -1.19 -0.07 0.00 -2.53 0.00 0.00 39.78 36.48 1pr5 n ASN 6 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1pr5 s ALA 7 N -3.95 3.70 0.11 -2.53 0.00 -1.26 -4.73 121.76 113.09 1pr5 s ALA 7 Ca 0.41 -0.54 0.03 0.00 0.00 0.00 0.00 51.96 51.86 1pr5 s ALA 7 Cb 0.19 0.38 -0.04 0.00 0.00 0.00 0.00 23.12 23.64 1pr5 s ALA 7 CO -0.12 -0.17 -0.08 -1.83 0.00 0.00 0.00 175.76 173.55 1pr5 s GLU 8 N -3.78 0.88 -0.38 0.00 -1.05 -1.26 -2.37 118.70 110.74 1pr5 s GLU 8 Ca 0.10 -1.29 -0.38 0.00 -0.15 0.00 0.00 54.97 53.25 1pr5 s GLU 8 Cb 0.01 -0.39 -0.14 0.00 -0.44 0.00 0.00 34.13 33.17 1pr5 s GLU 8 CO 0.07 0.03 2.09 -0.12 0.95 0.00 0.00 175.26 178.29 1pr5 n MET 9 N 0.14 0.81 0.00 -4.83 0.00 -1.26 -0.68 117.12 111.29 1pr5 n MET 9 Ca -0.13 0.24 0.00 0.00 -0.00 0.00 0.00 57.70 57.81 1pr5 n MET 9 Cb 0.60 -2.14 0.00 0.00 0.00 0.00 0.00 33.22 31.67 1pr5 n MET 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1pr5 n GLY 10 N 6.36 1.46 0.23 -5.12 0.00 -1.26 -4.98 105.19 101.86 1pr5 n GLY 10 Ca 0.42 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.54 1pr5 n GLY 10 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1pr5 h ASP 11 N 0.67 0.00 -2.72 1.61 3.45 -1.28 -3.44 116.42 114.71 1pr5 h ASP 11 Ca 0.00 0.00 -0.59 0.00 0.43 0.00 0.00 57.03 56.87 1pr5 h ASP 11 Cb 0.00 0.00 -0.10 0.00 -0.56 0.00 0.00 39.33 38.67 1pr5 h ASP 11 CO 0.00 0.22 -0.65 -0.36 -1.57 0.00 0.00 179.24 176.88 1pr5 s PHE 12 N -3.73 2.84 0.90 4.55 0.40 -1.26 -4.72 117.98 116.96 1pr5 s PHE 12 Ca -0.00 -0.15 -0.14 0.00 -0.60 0.00 0.00 56.93 56.04 1pr5 s PHE 12 Cb 0.11 -1.35 0.16 0.00 0.51 0.00 0.00 43.02 42.45 1pr5 s PHE 12 CO 0.63 0.53 1.26 0.00 0.70 0.00 0.00 175.22 178.34 1pr5 s ALA 13 N -1.85 2.46 -2.13 5.36 0.00 -1.26 -4.95 121.76 119.38 1pr5 s ALA 13 Ca 0.28 -1.08 0.16 0.00 0.00 0.00 0.00 51.96 51.33 1pr5 s ALA 13 Cb -0.09 -2.78 0.67 0.00 0.00 0.00 0.00 23.12 20.93 1pr5 s ALA 13 CO 0.19 -2.15 1.47 -0.40 0.00 0.00 0.00 175.76 174.88 1pr5 n ASP 14 N -3.57 1.20 -3.81 0.00 3.85 -1.26 -4.60 116.55 108.37 1pr5 n ASP 14 Ca 0.13 -1.73 -0.20 0.00 -0.71 0.00 0.00 54.79 52.28 1pr5 n ASP 14 Cb 0.60 -0.10 -0.17 0.00 -1.35 0.00 0.00 41.12 40.10 1pr5 n ASP 14 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 1pr5 s VAL 15 N -1.80 0.29 -0.08 2.12 1.01 -1.26 -0.63 120.40 120.05 1pr5 s VAL 15 Ca 0.27 0.08 0.02 0.00 0.00 0.00 0.00 61.98 62.35 1pr5 s VAL 15 Cb 0.14 -0.41 0.02 0.00 0.00 0.00 0.00 36.38 36.12 1pr5 s VAL 15 CO 0.21 0.20 -0.12 -0.69 0.00 0.00 0.00 175.10 174.70 1pr5 s VAL 16 N 1.41 1.22 0.08 2.92 1.01 -0.73 -2.45 120.40 123.85 1pr5 s VAL 16 Ca -0.04 -0.50 -0.22 0.00 0.00 0.00 0.00 61.98 61.23 1pr5 s VAL 16 Cb -0.13 -1.13 -0.07 0.00 0.00 0.00 0.00 36.38 35.05 1pr5 s VAL 16 CO -0.03 0.38 0.65 -0.76 0.00 0.00 0.00 175.10 175.34 1pr5 s LEU 17 N 0.91 4.51 -0.27 3.92 1.43 -0.12 -1.47 118.68 127.60 1pr5 s LEU 17 Ca -0.09 1.36 -0.01 0.00 -1.03 0.00 0.00 54.13 54.35 1pr5 s LEU 17 Cb -0.15 -3.04 0.09 0.00 0.03 0.00 0.00 46.19 43.12 1pr5 s LEU 17 CO 0.01 0.19 0.07 -0.04 0.23 0.00 0.00 176.35 176.81 1pr5 s MET 18 N -0.80 0.74 0.61 1.70 -1.94 -0.15 -1.45 119.30 118.01 1pr5 s MET 18 Ca 0.32 -0.86 -0.03 0.00 -1.71 0.00 0.00 55.69 53.41 1pr5 s MET 18 Cb -0.20 -2.03 0.04 0.00 2.01 0.00 0.00 34.83 34.64 1pr5 s MET 18 CO 0.21 -0.86 0.89 -1.25 -0.01 0.00 0.00 175.02 174.00 1pr5 s PRO 19 N 1.69 2.51 0.06 2.03 0.04 -1.24 -1.71 135.00 138.38 1pr5 s PRO 19 Ca 0.05 -0.40 -0.07 0.00 0.04 0.00 0.00 61.00 60.62 1pr5 s PRO 19 Cb -0.17 -2.32 -0.30 0.00 0.04 0.00 0.00 34.50 31.74 1pr5 s PRO 19 CO -0.19 -0.90 1.09 0.78 0.04 0.00 0.00 177.00 177.82 1pr5 h GLY 20 N -0.23 0.39 -5.26 0.56 0.00 -1.87 -1.44 103.07 95.22 1pr5 h GLY 20 Ca -0.44 -1.00 -0.58 0.00 0.00 0.00 0.00 47.33 45.31 1pr5 h GLY 20 CO 0.58 0.88 0.49 -0.35 0.00 0.00 0.00 176.54 178.13 1pr5 s ASP 21 N -7.26 7.02 0.43 0.19 -1.08 -1.26 -1.65 116.67 113.05 1pr5 s ASP 21 Ca -0.05 1.25 0.11 0.00 -0.52 0.00 0.00 52.55 53.34 1pr5 s ASP 21 Cb 0.06 -2.48 0.97 0.00 -1.46 0.00 0.00 42.92 40.01 1pr5 s ASP 21 CO 0.90 -0.46 2.04 -0.65 0.52 0.00 0.00 175.17 177.52 1pr5 h PRO 22 N 7.34 0.43 0.00 4.34 0.11 -1.87 -0.49 132.00 141.86 1pr5 h PRO 22 Ca -0.27 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.71 1pr5 h PRO 22 Cb 1.12 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 1pr5 h PRO 22 CO 0.86 0.29 -0.48 -0.07 -0.21 0.00 0.00 178.00 178.39 1pr5 h LEU 23 N 0.45 0.00 -0.64 2.35 3.38 -1.92 -2.54 115.31 116.38 1pr5 h LEU 23 Ca 0.19 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.08 1pr5 h LEU 23 Cb 0.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1pr5 h LEU 23 CO -0.05 0.48 -0.38 0.03 0.09 0.00 0.00 178.44 178.61 1pr5 h ARG 24 N 0.00 0.00 -0.31 1.13 2.47 -1.50 -2.31 114.38 113.86 1pr5 h ARG 24 Ca -0.00 0.00 -0.17 0.00 -1.26 0.00 0.00 59.98 58.55 1pr5 h ARG 24 Cb 0.87 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.19 1pr5 h ARG 24 CO 0.06 0.38 -0.46 0.00 0.56 0.00 0.00 179.97 180.52 1pr5 h ALA 25 N 1.62 0.47 -0.43 0.04 0.00 -1.03 -0.69 119.26 119.24 1pr5 h ALA 25 Ca -0.00 -0.48 -0.08 0.00 0.00 0.00 0.00 54.91 54.34 1pr5 h ALA 25 Cb 1.04 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1pr5 h ALA 25 CO 0.05 0.63 -0.07 -0.22 0.00 0.00 0.00 179.25 179.64 1pr5 h LYS 26 N 0.64 0.73 -0.64 0.00 3.64 -1.42 -1.15 116.57 118.38 1pr5 h LYS 26 Ca 0.03 -0.22 -0.07 0.00 -1.27 0.00 0.00 60.65 59.12 1pr5 h LYS 26 Cb 1.06 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.78 1pr5 h LYS 26 CO 0.11 0.79 0.13 -0.92 -2.27 0.00 0.00 179.45 177.29 1pr5 h TYR 27 N 0.68 1.09 -0.09 1.91 5.03 -1.13 -0.28 116.97 124.18 1pr5 h TYR 27 Ca 0.12 -0.14 -0.03 0.00 2.58 0.00 0.00 58.73 61.26 1pr5 h TYR 27 Cb 0.52 -0.30 -0.00 0.00 1.55 0.00 0.00 36.73 38.49 1pr5 h TYR 27 CO 0.03 0.92 -0.07 0.82 -1.32 0.00 0.00 178.16 178.53 1pr5 h ILE 28 N 0.95 1.35 -0.40 1.81 2.04 -0.81 0.02 117.51 122.46 1pr5 h ILE 28 Ca 0.20 -1.18 0.03 0.00 1.00 0.00 0.00 64.86 64.91 1pr5 h ILE 28 Cb 0.39 1.93 -0.03 0.00 -0.74 0.00 0.00 36.82 38.37 1pr5 h ILE 28 CO 0.01 0.33 0.20 0.00 0.00 0.00 0.00 178.15 178.69 1pr5 h ALA 29 N 0.59 0.50 -0.55 1.87 0.00 -1.15 0.34 119.26 120.86 1pr5 h ALA 29 Ca 0.02 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1pr5 h ALA 29 Cb 0.56 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1pr5 h ALA 29 CO 0.02 -0.16 0.06 1.49 0.00 0.00 0.00 179.25 180.66 1pr5 h GLU 30 N 0.40 0.90 0.05 0.00 4.57 -1.02 -1.32 114.58 118.16 1pr5 h GLU 30 Ca 0.17 -0.23 -0.28 0.00 -1.18 0.00 0.00 59.36 57.84 1pr5 h GLU 30 Cb 0.09 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 28.54 1pr5 h GLU 30 CO -0.13 0.85 -1.50 1.15 -1.18 0.00 0.00 179.01 178.20 1pr5 h THR 31 N 0.85 1.14 0.00 0.32 2.02 -0.55 -3.42 112.91 113.26 1pr5 h THR 31 Ca 0.17 -2.87 0.00 0.00 0.77 0.00 0.00 66.41 64.48 1pr5 h THR 31 Cb 0.41 2.64 0.00 0.00 -1.74 0.00 0.00 68.15 69.46 1pr5 h THR 31 CO 0.01 0.74 -0.84 0.49 0.37 0.00 0.00 175.52 176.29 1pr5 n PHE 32 N -3.29 0.00 -3.93 3.16 3.01 0.12 -5.05 117.46 111.48 1pr5 n PHE 32 Ca -0.14 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 57.99 1pr5 n PHE 32 Cb 1.02 -0.04 -0.05 0.00 -0.01 0.00 0.00 39.48 40.40 1pr5 n PHE 32 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1pr5 s LEU 33 N -2.89 4.32 -0.04 4.37 1.43 -0.50 -4.70 118.68 120.68 1pr5 s LEU 33 Ca -0.00 0.33 -0.01 0.00 -1.03 0.00 0.00 54.13 53.42 1pr5 s LEU 33 Cb 0.02 -2.56 -0.04 0.00 0.03 0.00 0.00 46.19 43.64 1pr5 s LEU 33 CO 0.10 0.27 0.03 -1.61 0.23 0.00 0.00 176.35 175.36 1pr5 s GLU 34 N -1.89 2.95 -1.55 1.70 0.41 -0.36 -4.53 118.70 115.44 1pr5 s GLU 34 Ca 0.26 -0.49 -0.14 0.00 -0.41 0.00 0.00 54.97 54.20 1pr5 s GLU 34 Cb -0.13 -2.78 0.09 0.00 -1.78 0.00 0.00 34.13 29.54 1pr5 s GLU 34 CO 0.18 0.67 0.96 -0.25 -0.49 0.00 0.00 175.26 176.32 1pr5 n ASP 35 N 1.64 -4.57 -4.73 -0.19 8.00 -1.26 -1.92 116.55 113.52 1pr5 n ASP 35 Ca -0.16 -0.81 -0.40 0.00 0.71 0.00 0.00 54.79 54.13 1pr5 n ASP 35 Cb 0.53 -3.75 -0.04 0.00 -0.02 0.00 0.00 41.12 37.83 1pr5 n ASP 35 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pr5 s ALA 36 N -3.31 3.30 0.02 2.24 0.00 -1.26 -4.59 121.76 118.16 1pr5 s ALA 36 Ca 0.66 0.33 0.08 0.00 0.00 0.00 0.00 51.96 53.02 1pr5 s ALA 36 Cb -0.33 -3.09 -0.02 0.00 0.00 0.00 0.00 23.12 19.67 1pr5 s ALA 36 CO 0.84 -0.05 -0.23 -0.98 0.00 0.00 0.00 175.76 175.33 1pr5 s ARG 37 N 0.42 1.72 0.07 0.00 1.70 0.64 -4.91 118.95 118.59 1pr5 s ARG 37 Ca 0.42 -0.93 -0.31 0.00 -0.47 0.00 0.00 55.73 54.44 1pr5 s ARG 37 Cb -0.20 -1.77 -0.07 0.00 -0.57 0.00 0.00 34.95 32.34 1pr5 s ARG 37 CO 0.23 0.47 1.44 -2.00 -1.08 0.00 0.00 175.30 174.36 1pr5 s GLU 38 N -0.90 4.29 0.00 3.89 2.12 -1.26 -1.64 118.70 125.20 1pr5 s GLU 38 Ca 0.09 2.09 0.12 0.00 0.36 0.00 0.00 54.97 57.63 1pr5 s GLU 38 Cb -0.09 -3.39 0.11 0.00 0.26 0.00 0.00 34.13 31.02 1pr5 s GLU 38 CO 0.01 -0.53 0.91 1.33 -0.54 0.00 0.00 175.26 176.44 1pr5 n VAL 39 N 4.28 0.09 -3.59 3.70 0.24 0.60 -4.94 118.33 118.70 1pr5 n VAL 39 Ca 0.13 -0.54 -0.05 0.00 -2.04 0.00 0.00 64.34 61.84 1pr5 n VAL 39 Cb 0.42 1.18 -0.02 0.00 -1.47 0.00 0.00 33.84 33.95 1pr5 n VAL 39 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1pr5 s ASN 40 N -0.99 -0.15 0.00 -1.34 3.84 -1.20 -4.20 114.94 110.89 1pr5 s ASN 40 Ca 0.15 0.03 0.00 0.00 0.21 0.00 0.00 52.86 53.24 1pr5 s ASN 40 Cb 0.10 0.15 0.00 0.00 -0.55 0.00 0.00 41.25 40.96 1pr5 s ASN 40 CO 0.15 -0.24 0.18 -0.46 -2.79 0.00 0.00 177.10 173.94 1pr5 n ASN 41 N -0.00 -0.17 0.22 -4.21 6.94 -1.26 -1.89 115.26 114.89 1pr5 n ASN 41 Ca -0.01 -0.36 0.15 0.00 -0.02 0.00 0.00 54.58 54.34 1pr5 n ASN 41 Cb 0.58 0.05 0.80 0.00 -2.36 0.00 0.00 39.78 38.86 1pr5 n ASN 41 CO 0.00 0.00 0.00 -0.37 -1.03 0.00 0.00 177.26 175.86 1pr5 h VAL 42 N 0.96 0.63 0.00 3.53 -1.51 -1.84 -2.25 116.25 115.77 1pr5 h VAL 42 Ca -0.10 0.00 -0.02 0.00 -1.23 0.00 0.00 66.70 65.35 1pr5 h VAL 42 Cb 0.62 0.91 -0.05 0.00 -2.13 0.00 0.00 31.29 30.64 1pr5 h VAL 42 CO -0.05 0.00 -0.37 0.54 -1.23 0.00 0.00 177.57 176.46 1pr5 n ARG 43 N -4.03 0.79 -0.39 5.19 1.74 -1.26 -4.90 116.66 113.80 1pr5 n ARG 43 Ca 0.00 -2.17 0.00 0.00 -0.77 0.00 0.00 57.85 54.91 1pr5 n ARG 43 Cb 0.23 -1.03 0.00 0.00 -1.02 0.00 0.00 32.46 30.64 1pr5 n ARG 43 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1pr5 n GLY 44 N -0.71 0.86 2.73 -0.13 0.00 -0.85 -4.96 105.19 102.14 1pr5 n GLY 44 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1pr5 n GLY 44 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1pr5 n MET 45 N -2.00 2.88 -1.55 1.61 0.00 -1.26 -4.78 117.12 112.01 1pr5 n MET 45 Ca 0.00 -2.62 -0.45 0.00 0.00 0.00 0.00 57.70 54.63 1pr5 n MET 45 Cb 0.00 -3.28 -0.02 0.00 0.00 0.00 0.00 33.22 29.93 1pr5 n MET 45 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1pr5 n LEU 46 N 6.02 1.21 -3.96 -0.89 4.77 -1.26 -4.20 117.00 118.69 1pr5 n LEU 46 Ca 0.52 1.16 -0.14 0.00 -0.03 0.00 0.00 56.01 57.52 1pr5 n LEU 46 Cb 0.39 -1.22 -0.13 0.00 -2.33 0.00 0.00 43.42 40.12 1pr5 n LEU 46 CO 0.90 -1.72 -0.39 -0.83 -1.33 0.00 0.00 177.39 174.01 1pr5 s GLY 47 N -0.65 0.26 0.07 -0.72 0.00 -0.79 -2.83 107.32 102.66 1pr5 s GLY 47 Ca 0.60 -0.32 0.01 0.00 0.00 0.00 0.00 44.72 45.01 1pr5 s GLY 47 CO 0.59 -0.32 -0.06 -1.36 0.00 0.00 0.00 173.10 171.96 1pr5 s PHE 48 N -0.46 0.74 -0.03 1.90 0.08 0.22 -0.29 117.98 120.14 1pr5 s PHE 48 Ca -0.02 -0.85 -0.01 0.00 0.12 0.00 0.00 56.93 56.17 1pr5 s PHE 48 Cb -0.04 -0.45 0.03 0.00 -0.57 0.00 0.00 43.02 41.99 1pr5 s PHE 48 CO -0.00 -0.19 0.06 0.99 -0.10 0.00 0.00 175.22 175.99 1pr5 s THR 49 N -3.16 -0.05 0.00 0.64 2.01 -0.65 -0.33 115.64 114.08 1pr5 s THR 49 Ca 0.05 0.20 0.00 0.00 0.31 0.00 0.00 61.69 62.26 1pr5 s THR 49 Cb 0.02 -0.12 0.00 0.00 0.01 0.00 0.00 72.50 72.41 1pr5 s THR 49 CO -0.05 0.08 0.00 0.61 -0.69 0.00 0.00 174.62 174.58 1pr5 n GLY 50 N 4.16 3.89 2.90 4.40 0.00 -0.09 -0.26 105.19 120.19 1pr5 n GLY 50 Ca -0.27 -0.64 -0.12 0.00 0.00 0.00 0.00 46.02 44.98 1pr5 n GLY 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pr5 s THR 51 N -0.55 0.10 -0.23 2.61 -4.23 -0.81 -0.80 115.64 111.73 1pr5 s THR 51 Ca 0.00 -0.16 0.00 0.00 -1.18 0.00 0.00 61.69 60.35 1pr5 s THR 51 Cb 0.00 -0.11 0.03 0.00 1.34 0.00 0.00 72.50 73.76 1pr5 s THR 51 CO 0.00 -0.04 -0.12 -0.47 -0.54 0.00 0.00 174.62 173.45 1pr5 s TYR 52 N -0.21 3.03 -1.19 3.99 6.14 0.13 -1.22 117.35 128.02 1pr5 s TYR 52 Ca -0.02 -1.78 -0.22 0.00 0.64 0.00 0.00 57.07 55.69 1pr5 s TYR 52 Cb -0.02 -1.98 0.01 0.00 0.42 0.00 0.00 41.96 40.39 1pr5 s TYR 52 CO -0.00 -0.79 0.72 1.63 0.64 0.00 0.00 175.55 177.74 1pr5 n LYS 53 N 4.59 -1.15 0.00 4.97 5.02 -1.26 -0.80 118.16 129.52 1pr5 n LYS 53 Ca -0.17 0.34 0.00 0.00 -2.02 0.00 0.00 58.31 56.46 1pr5 n LYS 53 Cb 0.47 -3.72 0.00 0.00 -0.02 0.00 0.00 35.03 31.75 1pr5 n LYS 53 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pr5 n GLY 54 N -1.84 1.53 3.75 0.72 0.00 -1.26 -4.96 105.19 103.13 1pr5 n GLY 54 Ca -0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.51 1pr5 n GLY 54 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1pr5 s ARG 55 N 0.00 4.34 -0.06 1.61 3.00 0.02 -5.02 118.95 122.84 1pr5 s ARG 55 Ca 0.00 0.74 -0.30 0.00 -1.00 0.00 0.00 55.73 55.18 1pr5 s ARG 55 Cb 0.00 -3.36 -0.02 0.00 0.00 0.00 0.00 34.95 31.56 1pr5 s ARG 55 CO 0.00 0.32 1.06 0.21 0.00 0.00 0.00 175.30 176.88 1pr5 s LYS 56 N -0.02 4.44 0.02 5.12 2.20 -1.26 0.21 119.74 130.45 1pr5 s LYS 56 Ca 0.32 1.49 -0.05 0.00 -0.36 0.00 0.00 55.97 57.36 1pr5 s LYS 56 Cb -0.18 -3.51 -0.01 0.00 -1.51 0.00 0.00 37.83 32.62 1pr5 s LYS 56 CO 0.17 -0.27 0.10 0.42 -0.36 0.00 0.00 175.35 175.40 1pr5 s ILE 57 N 1.73 0.10 0.23 5.43 1.01 0.02 -4.69 121.20 125.04 1pr5 s ILE 57 Ca 0.52 -0.86 0.11 0.00 0.00 0.00 0.00 60.65 60.42 1pr5 s ILE 57 Cb -0.21 -0.56 -0.05 0.00 0.01 0.00 0.00 42.46 41.66 1pr5 s ILE 57 CO 0.22 -0.47 -0.19 -0.44 0.00 0.00 0.00 174.94 174.06 1pr5 s SER 58 N -1.65 3.68 -0.04 3.58 0.01 -1.03 -0.91 113.70 117.34 1pr5 s SER 58 Ca -0.12 -0.88 -0.02 0.00 1.31 0.00 0.00 55.95 56.24 1pr5 s SER 58 Cb -0.06 -0.37 0.03 0.00 0.21 0.00 0.00 66.02 65.83 1pr5 s SER 58 CO -0.01 0.08 0.07 -0.69 0.41 0.00 0.00 173.24 173.10 1pr5 s VAL 59 N -2.07 -0.11 -0.11 3.43 1.01 0.55 -0.94 120.40 122.15 1pr5 s VAL 59 Ca 0.26 0.35 -0.13 0.00 0.00 0.00 0.00 61.98 62.46 1pr5 s VAL 59 Cb -0.07 -0.15 0.03 0.00 0.00 0.00 0.00 36.38 36.19 1pr5 s VAL 59 CO 0.13 0.14 0.35 -0.32 0.00 0.00 0.00 175.10 175.41 1pr5 s MET 60 N 1.82 0.47 0.56 2.72 0.00 -0.53 0.70 119.30 125.03 1pr5 s MET 60 Ca -0.00 0.36 -0.17 0.00 0.00 0.00 0.00 55.69 55.88 1pr5 s MET 60 Cb -0.12 0.22 -0.05 0.00 0.00 0.00 0.00 34.83 34.88 1pr5 s MET 60 CO -0.04 -0.08 1.05 0.20 0.00 0.00 0.00 175.02 176.16 1pr5 s GLY 61 N -0.11 2.24 0.00 2.11 0.00 -1.13 -3.64 107.32 106.79 1pr5 s GLY 61 Ca -0.03 0.45 0.02 0.00 0.00 0.00 0.00 44.72 45.16 1pr5 s GLY 61 CO 0.01 0.77 0.60 -2.39 0.00 0.00 0.00 173.10 172.09 1pr5 n HIS 62 N -1.70 0.01 -0.75 1.90 1.44 -0.54 -4.91 115.22 110.66 1pr5 n HIS 62 Ca 0.09 -0.04 0.09 0.00 -2.01 0.00 0.00 57.72 55.85 1pr5 n HIS 62 Cb 0.53 -0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.59 1pr5 n HIS 62 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1pr5 n GLY 63 N 0.06 -2.63 3.72 -1.39 0.00 -0.66 -2.88 105.19 101.42 1pr5 n GLY 63 Ca 0.01 -1.27 -0.41 0.00 0.00 0.00 0.00 46.02 44.35 1pr5 n GLY 63 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1pr5 s MET 64 N -3.11 4.55 0.00 1.61 1.00 -1.26 -4.50 119.30 117.59 1pr5 s MET 64 Ca 0.00 1.25 0.00 0.00 0.00 0.00 0.00 55.69 56.94 1pr5 s MET 64 Cb 0.00 -3.42 0.00 0.00 0.00 0.00 0.00 34.83 31.41 1pr5 s MET 64 CO 0.00 0.09 0.00 0.41 0.00 0.00 0.00 175.02 175.52 1pr5 n GLY 65 N 2.70 2.64 0.15 -0.03 0.00 -1.25 -4.59 105.19 104.81 1pr5 n GLY 65 Ca 0.02 -1.77 -0.11 0.00 0.00 0.00 0.00 46.02 44.16 1pr5 n GLY 65 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1pr5 h ILE 66 N 0.00 1.22 -0.46 -0.61 2.04 -1.79 -2.05 117.51 115.86 1pr5 h ILE 66 Ca 0.00 -0.74 0.09 0.00 1.00 0.00 0.00 64.86 65.21 1pr5 h ILE 66 Cb 0.00 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.24 1pr5 h ILE 66 CO 0.00 0.24 0.32 -0.65 0.00 0.00 0.00 178.15 178.06 1pr5 h PRO 67 N 0.27 0.23 0.04 2.37 0.11 -1.90 0.73 132.00 133.84 1pr5 h PRO 67 Ca 0.08 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.18 1pr5 h PRO 67 Cb 0.31 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.37 1pr5 h PRO 67 CO 0.00 0.15 -0.02 1.03 -0.21 0.00 0.00 178.00 178.95 1pr5 h SER 68 N 0.23 -0.04 0.56 -2.05 0.87 -1.76 -3.23 113.55 108.13 1pr5 h SER 68 Ca 0.21 -0.48 0.00 0.00 -1.23 0.00 0.00 61.79 60.29 1pr5 h SER 68 Cb 0.53 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.50 1pr5 h SER 68 CO -0.04 0.67 0.00 0.00 -0.53 0.00 0.00 176.83 176.93 1pr5 h SER 70 N 0.00 0.75 -0.01 0.00 0.02 -0.92 -2.38 113.55 111.01 1pr5 h SER 70 Ca 0.00 -0.47 -0.00 0.00 -0.84 0.00 0.00 61.79 60.48 1pr5 h SER 70 Cb 0.28 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.60 1pr5 h SER 70 CO 0.00 1.24 0.00 0.40 -1.14 0.00 0.00 176.83 177.33 1pr5 h ILE 71 N 0.45 1.15 0.34 3.27 2.04 -1.43 -2.15 117.51 121.18 1pr5 h ILE 71 Ca -0.03 -0.45 -0.02 0.00 1.00 0.00 0.00 64.86 65.37 1pr5 h ILE 71 Cb 1.30 1.44 0.00 0.00 -0.74 0.00 0.00 36.82 38.82 1pr5 h ILE 71 CO 0.14 0.12 -0.16 1.88 0.00 0.00 0.00 178.15 180.12 1pr5 h TYR 72 N -0.17 -0.42 -0.83 1.37 0.05 -1.60 -1.99 116.97 113.37 1pr5 h TYR 72 Ca 0.00 -0.01 0.05 0.00 0.05 0.00 0.00 58.73 58.82 1pr5 h TYR 72 Cb 0.19 0.14 -0.05 0.00 1.01 0.00 0.00 36.73 38.02 1pr5 h TYR 72 CO -0.01 -0.10 0.54 1.79 -1.05 0.00 0.00 178.16 179.33 1pr5 h THR 73 N -0.74 1.09 -0.11 -2.88 1.35 -1.53 0.73 112.91 110.81 1pr5 h THR 73 Ca -0.05 -0.33 -0.01 0.00 -0.55 0.00 0.00 66.41 65.48 1pr5 h THR 73 Cb 0.50 0.04 -0.00 0.00 -1.73 0.00 0.00 68.15 66.95 1pr5 h THR 73 CO 0.08 0.18 0.05 0.50 -0.25 0.00 0.00 175.52 176.07 1pr5 h LYS 74 N 0.97 0.16 -0.70 4.72 3.11 -1.37 -1.30 116.57 122.16 1pr5 h LYS 74 Ca 0.34 -0.03 -0.04 0.00 -2.81 0.00 0.00 60.65 58.12 1pr5 h LYS 74 Cb 0.14 -0.03 -0.03 0.00 -1.00 0.00 0.00 32.23 31.31 1pr5 h LYS 74 CO -0.11 0.26 0.29 0.93 -2.81 0.00 0.00 179.45 178.00 1pr5 h GLU 75 N 0.03 1.02 -0.67 1.90 5.08 -0.65 -1.49 114.58 119.81 1pr5 h GLU 75 Ca 0.04 -0.17 -0.04 0.00 -1.00 0.00 0.00 59.36 58.19 1pr5 h GLU 75 Cb 0.15 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 1pr5 h GLU 75 CO -0.00 0.82 0.25 -0.07 -1.00 0.00 0.00 179.01 179.01 1pr5 h LEU 76 N 1.01 0.95 0.60 1.33 3.38 -0.68 0.32 115.31 122.21 1pr5 h LEU 76 Ca 0.24 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 1pr5 h LEU 76 Cb 0.17 -0.25 0.01 0.00 0.09 0.00 0.00 40.66 40.68 1pr5 h LEU 76 CO -0.02 0.88 -0.29 0.40 0.09 0.00 0.00 178.44 179.50 1pr5 h ILE 77 N 0.96 0.00 0.00 1.22 1.08 -0.88 -1.78 117.51 118.11 1pr5 h ILE 77 Ca 0.22 -0.40 -0.10 0.00 -0.39 0.00 0.00 64.86 64.19 1pr5 h ILE 77 Cb 0.24 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 33.98 1pr5 h ILE 77 CO -0.01 0.00 -0.46 0.71 -0.69 0.00 0.00 178.15 177.69 1pr5 h THR 78 N -1.21 0.89 0.00 -0.27 1.35 -1.33 -3.28 112.91 109.06 1pr5 h THR 78 Ca -0.08 -1.97 -0.22 0.00 -0.55 0.00 0.00 66.41 63.59 1pr5 h THR 78 Cb 0.62 2.23 -0.04 0.00 -1.73 0.00 0.00 68.15 69.23 1pr5 h THR 78 CO 0.14 0.45 -2.00 0.47 -0.25 0.00 0.00 175.52 174.33 1pr5 n ASP 79 N -3.34 1.19 -0.31 5.36 10.43 0.11 -4.67 116.55 125.31 1pr5 n ASP 79 Ca 0.01 0.00 0.09 0.00 2.57 0.00 0.00 54.79 57.46 1pr5 n ASP 79 Cb 0.65 1.07 0.17 0.00 1.84 0.00 0.00 41.12 44.85 1pr5 n ASP 79 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 1pr5 n PHE 80 N -2.47 0.23 -1.57 1.24 3.01 -1.06 -4.57 117.46 112.27 1pr5 n PHE 80 Ca -0.21 -1.03 -0.20 0.00 1.01 0.00 0.00 57.45 57.03 1pr5 n PHE 80 Cb 0.88 -0.20 -0.08 0.00 -0.01 0.00 0.00 39.48 40.07 1pr5 n PHE 80 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1pr5 n GLY 81 N -1.22 1.89 3.73 1.37 0.00 -1.17 -4.70 105.19 105.10 1pr5 n GLY 81 Ca 0.18 -0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 1pr5 n GLY 81 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pr5 s VAL 82 N -2.71 3.05 -0.21 1.61 1.01 -0.69 -4.74 120.40 117.71 1pr5 s VAL 82 Ca 0.00 0.84 0.11 0.00 0.00 0.00 0.00 61.98 62.93 1pr5 s VAL 82 Cb 0.00 -3.54 -0.20 0.00 0.00 0.00 0.00 36.38 32.64 1pr5 s VAL 82 CO 0.00 0.12 -0.05 0.29 0.00 0.00 0.00 175.10 175.46 1pr5 n LYS 83 N 2.82 0.82 -4.63 2.72 4.01 0.20 -4.47 118.16 119.62 1pr5 n LYS 83 Ca 0.07 0.05 -0.22 0.00 -0.51 0.00 0.00 58.31 57.70 1pr5 n LYS 83 Cb 0.42 -1.48 -0.15 0.00 -0.51 0.00 0.00 35.03 33.31 1pr5 n LYS 83 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 1pr5 s LYS 84 N -2.46 1.12 -0.12 1.97 1.02 -0.44 -1.55 119.74 119.29 1pr5 s LYS 84 Ca -0.18 -0.50 0.02 0.00 0.02 0.00 0.00 55.97 55.33 1pr5 s LYS 84 Cb 0.07 -1.08 0.01 0.00 -0.52 0.00 0.00 37.83 36.30 1pr5 s LYS 84 CO 0.67 0.30 -0.18 0.42 -0.92 0.00 0.00 175.35 175.64 1pr5 s ILE 85 N -0.33 1.75 -0.36 2.17 -1.09 0.61 -1.78 121.20 122.17 1pr5 s ILE 85 Ca 0.05 -0.80 0.03 0.00 -2.23 0.00 0.00 60.65 57.71 1pr5 s ILE 85 Cb -0.05 -1.57 0.10 0.00 -1.58 0.00 0.00 42.46 39.36 1pr5 s ILE 85 CO -0.01 0.49 0.09 -0.63 -1.23 0.00 0.00 174.94 173.65 1pr5 s ILE 86 N 0.87 2.10 0.23 2.92 1.01 -0.54 -0.79 121.20 127.00 1pr5 s ILE 86 Ca -0.08 -2.34 -0.30 0.00 0.00 0.00 0.00 60.65 57.94 1pr5 s ILE 86 Cb -0.15 -2.54 -0.09 0.00 0.01 0.00 0.00 42.46 39.69 1pr5 s ILE 86 CO -0.01 -0.64 1.18 -0.60 0.00 0.00 0.00 174.94 174.87 1pr5 s ARG 87 N 0.84 4.53 -0.33 2.79 3.52 0.12 -0.98 118.95 129.44 1pr5 s ARG 87 Ca 0.12 1.89 -0.00 0.00 -0.13 0.00 0.00 55.73 57.60 1pr5 s ARG 87 Cb -0.20 -3.21 0.11 0.00 -1.56 0.00 0.00 34.95 30.09 1pr5 s ARG 87 CO -0.09 0.00 0.13 0.14 -0.81 0.00 0.00 175.30 174.67 1pr5 s VAL 88 N -0.52 0.92 0.00 7.11 -7.23 -0.69 -0.84 120.40 119.15 1pr5 s VAL 88 Ca 0.50 -1.61 0.00 0.00 -1.81 0.00 0.00 61.98 59.06 1pr5 s VAL 88 Cb -0.33 -1.69 0.00 0.00 0.56 0.00 0.00 36.38 34.92 1pr5 s VAL 88 CO 0.40 -0.73 0.00 0.61 -0.31 0.00 0.00 175.10 175.07 1pr5 n GLY 89 N 4.59 5.53 3.14 2.32 0.00 -0.82 -4.09 105.19 115.86 1pr5 n GLY 89 Ca 0.00 -1.12 -0.09 0.00 0.00 0.00 0.00 46.02 44.81 1pr5 n GLY 89 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pr5 s SER 90 N 1.00 0.56 0.19 1.61 1.04 -1.26 -2.56 113.70 114.28 1pr5 s SER 90 Ca 0.00 -1.10 -0.12 0.00 0.48 0.00 0.00 55.95 55.20 1pr5 s SER 90 Cb 0.00 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.34 1pr5 s SER 90 CO 0.00 -0.63 0.40 0.00 0.98 0.00 0.00 173.24 173.99 1pr5 s GLY 92 N -2.95 2.18 0.09 0.00 0.00 -0.39 -0.44 107.32 105.82 1pr5 s GLY 92 Ca 0.16 -0.69 -0.04 0.00 0.00 0.00 0.00 44.72 44.15 1pr5 s GLY 92 CO 0.01 -0.51 0.32 0.00 0.00 0.00 0.00 173.10 172.92 1pr5 s ALA 93 N -1.21 3.85 -0.01 3.20 0.00 0.63 -0.37 121.76 127.84 1pr5 s ALA 93 Ca 0.23 -0.61 0.01 0.00 0.00 0.00 0.00 51.96 51.58 1pr5 s ALA 93 Cb -0.13 -2.06 -0.01 0.00 0.00 0.00 0.00 23.12 20.93 1pr5 s ALA 93 CO 0.13 0.69 0.01 1.55 0.00 0.00 0.00 175.76 178.14 1pr5 n VAL 94 N 0.41 0.04 -3.27 0.00 3.14 -1.25 -1.61 118.33 115.79 1pr5 n VAL 94 Ca -0.05 -0.03 -0.35 0.00 -2.96 0.00 0.00 64.34 60.95 1pr5 n VAL 94 Cb 0.52 -0.64 -0.06 0.00 -1.06 0.00 0.00 33.84 32.60 1pr5 n VAL 94 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1pr5 s LEU 95 N -3.82 4.32 0.21 6.55 1.43 -1.26 -4.86 118.68 121.24 1pr5 s LEU 95 Ca -0.00 1.19 -0.07 0.00 -1.03 0.00 0.00 54.13 54.22 1pr5 s LEU 95 Cb 0.00 -3.42 0.16 0.00 0.03 0.00 0.00 46.19 42.96 1pr5 s LEU 95 CO 0.03 0.06 1.68 -0.65 0.23 0.00 0.00 176.35 177.70 1pr5 h PRO 96 N 3.41 0.98 0.00 1.29 0.11 -1.99 -2.76 132.00 133.04 1pr5 h PRO 96 Ca -0.48 -0.30 0.00 0.00 0.11 0.00 0.00 66.00 65.33 1pr5 h PRO 96 Cb 1.19 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1pr5 h PRO 96 CO 0.66 0.97 0.00 -2.39 -0.21 0.00 0.00 178.00 177.02 1pr5 n HIS 97 N -4.18 0.28 -3.04 0.65 1.44 -1.26 -4.49 115.22 104.61 1pr5 n HIS 97 Ca 0.03 0.11 -0.42 0.00 -2.01 0.00 0.00 57.72 55.43 1pr5 n HIS 97 Cb 0.34 -0.68 -0.06 0.00 0.12 0.00 0.00 29.99 29.71 1pr5 n HIS 97 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 1pr5 s VAL 98 N -3.11 4.82 0.28 0.61 1.01 -1.04 -5.05 120.40 117.92 1pr5 s VAL 98 Ca 0.06 0.73 0.06 0.00 0.00 0.00 0.00 61.98 62.83 1pr5 s VAL 98 Cb 0.09 -4.13 -0.02 0.00 0.00 0.00 0.00 36.38 32.31 1pr5 s VAL 98 CO 0.30 -0.36 0.38 -0.54 0.00 0.00 0.00 175.10 174.88 1pr5 s LYS 99 N 2.88 3.23 0.35 2.72 3.01 -1.26 -4.83 119.74 125.84 1pr5 s LYS 99 Ca 0.28 -0.92 -0.28 0.00 -1.01 0.00 0.00 55.97 54.04 1pr5 s LYS 99 Cb -0.14 -2.81 -0.12 0.00 -1.01 0.00 0.00 37.83 33.75 1pr5 s LYS 99 CO 0.16 0.27 1.40 1.28 0.51 0.00 0.00 175.35 178.96 1pr5 n LEU 100 N -1.48 4.11 0.00 3.17 4.77 -1.26 -2.00 117.00 124.31 1pr5 n LEU 100 Ca -0.05 1.21 0.00 0.00 -0.03 0.00 0.00 56.01 57.14 1pr5 n LEU 100 Cb 0.58 -1.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.12 1pr5 n LEU 100 CO 0.43 -0.17 0.00 0.54 -1.33 0.00 0.00 177.39 176.86 1pr5 n ARG 101 N 0.64 0.00 -2.26 3.23 1.74 -0.32 -4.95 116.66 114.75 1pr5 n ARG 101 Ca 0.04 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.73 1pr5 n ARG 101 Cb 0.37 -2.59 -0.02 0.00 -1.02 0.00 0.00 32.46 29.20 1pr5 n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1pr5 s ASP 102 N -2.54 6.60 -0.48 0.55 1.01 -0.85 -4.64 116.67 116.32 1pr5 s ASP 102 Ca 0.00 2.41 -0.17 0.00 0.71 0.00 0.00 52.55 55.50 1pr5 s ASP 102 Cb 0.00 -2.62 0.06 0.00 1.01 0.00 0.00 42.92 41.37 1pr5 s ASP 102 CO 0.00 -0.63 0.51 -0.69 0.21 0.00 0.00 175.17 174.57 1pr5 s VAL 103 N -1.34 5.05 -0.04 -1.27 1.01 -1.26 -0.74 120.40 121.80 1pr5 s VAL 103 Ca 0.55 -0.72 -0.13 0.00 0.00 0.00 0.00 61.98 61.67 1pr5 s VAL 103 Cb -0.33 -4.20 -0.05 0.00 0.00 0.00 0.00 36.38 31.80 1pr5 s VAL 103 CO 0.42 -0.68 0.34 -0.69 0.00 0.00 0.00 175.10 174.50 1pr5 s VAL 104 N 2.17 5.16 -0.22 2.92 1.01 0.23 -2.17 120.40 129.49 1pr5 s VAL 104 Ca 0.10 0.69 -0.01 0.00 0.00 0.00 0.00 61.98 62.76 1pr5 s VAL 104 Cb -0.21 -3.64 0.02 0.00 0.00 0.00 0.00 36.38 32.54 1pr5 s VAL 104 CO 0.10 0.56 -0.10 -0.63 0.00 0.00 0.00 175.10 175.03 1pr5 s ILE 105 N -0.89 2.72 -0.70 2.22 1.01 0.19 -0.41 121.20 125.33 1pr5 s ILE 105 Ca 0.21 -0.88 -0.24 0.00 0.00 0.00 0.00 60.65 59.74 1pr5 s ILE 105 Cb -0.15 -2.28 0.05 0.00 0.01 0.00 0.00 42.46 40.09 1pr5 s ILE 105 CO 0.11 0.36 1.11 -0.83 0.00 0.00 0.00 174.94 175.69 1pr5 s GLY 106 N 1.35 1.17 0.33 6.18 0.00 -0.86 -1.20 107.32 114.28 1pr5 s GLY 106 Ca 0.03 -1.66 0.17 0.00 0.00 0.00 0.00 44.72 43.26 1pr5 s GLY 106 CO -0.07 2.33 1.63 1.98 0.00 0.00 0.00 173.10 178.96 1pr5 h MET 107 N 9.76 0.00 -3.84 2.90 4.05 -1.17 -3.40 114.93 123.23 1pr5 h MET 107 Ca -0.27 0.00 -0.10 0.00 -0.28 0.00 0.00 59.70 59.06 1pr5 h MET 107 Cb 1.06 0.00 -0.13 0.00 -0.80 0.00 0.00 31.60 31.73 1pr5 h MET 107 CO 1.23 0.45 -0.33 0.20 0.23 0.00 0.00 176.91 178.69 1pr5 s GLY 108 N -4.41 0.31 -0.11 1.39 0.00 -1.16 -1.06 107.32 102.29 1pr5 s GLY 108 Ca 0.01 -0.76 -0.04 0.00 0.00 0.00 0.00 44.72 43.93 1pr5 s GLY 108 CO 0.71 -0.81 0.22 0.00 0.00 0.00 0.00 173.10 173.22 1pr5 s ALA 109 N -3.92 -0.38 0.65 3.20 0.00 -0.63 -1.33 121.76 119.35 1pr5 s ALA 109 Ca 0.12 0.77 -0.10 0.00 0.00 0.00 0.00 51.96 52.75 1pr5 s ALA 109 Cb 0.04 -0.90 -0.00 0.00 0.00 0.00 0.00 23.12 22.25 1pr5 s ALA 109 CO -0.05 -0.58 1.03 0.00 0.00 0.00 0.00 175.76 176.17 1pr5 s THR 111 N -3.23 0.02 -0.21 0.00 -1.32 -1.26 0.84 115.64 110.48 1pr5 s THR 111 Ca 0.56 -0.45 0.15 0.00 -1.21 0.00 0.00 61.69 60.74 1pr5 s THR 111 Cb -0.11 -1.34 0.34 0.00 -1.51 0.00 0.00 72.50 69.88 1pr5 s THR 111 CO 0.51 -0.07 1.24 -0.90 -2.21 0.00 0.00 174.62 173.19 1pr5 n ASP 112 N -0.36 2.92 -4.94 8.08 3.85 -1.17 -4.94 116.55 119.98 1pr5 n ASP 112 Ca -0.13 -2.82 -0.24 0.00 -0.71 0.00 0.00 54.79 50.89 1pr5 n ASP 112 Cb 0.63 -0.40 -0.02 0.00 -1.35 0.00 0.00 41.12 39.99 1pr5 n ASP 112 CO 0.00 0.00 0.00 -0.94 -1.01 0.00 0.00 177.20 175.25 1pr5 s SER 113 N -2.11 6.33 0.00 -1.12 1.04 -1.26 -4.88 113.70 111.70 1pr5 s SER 113 Ca 0.31 0.35 0.27 0.00 0.48 0.00 0.00 55.95 57.36 1pr5 s SER 113 Cb 0.25 -1.98 0.94 0.00 0.10 0.00 0.00 66.02 65.33 1pr5 s SER 113 CO 0.06 -0.17 1.68 0.29 0.98 0.00 0.00 173.24 176.08 1pr5 n LYS 114 N -1.39 1.10 -0.29 4.02 5.02 -1.26 -4.49 118.16 120.88 1pr5 n LYS 114 Ca -0.06 -0.61 0.10 0.00 -2.02 0.00 0.00 58.31 55.72 1pr5 n LYS 114 Cb 0.56 -1.49 0.23 0.00 -0.02 0.00 0.00 35.03 34.31 1pr5 n LYS 114 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1pr5 h VAL 115 N 1.49 0.29 0.00 -0.18 2.07 -1.99 0.79 116.25 118.72 1pr5 h VAL 115 Ca 0.00 -0.05 -0.12 0.00 0.82 0.00 0.00 66.70 67.35 1pr5 h VAL 115 Cb 0.47 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 1pr5 h VAL 115 CO 0.00 0.03 -0.79 0.78 0.02 0.00 0.00 177.57 177.61 1pr5 h ASN 116 N 0.14 0.00 0.25 0.57 2.35 -1.94 -3.05 115.58 113.91 1pr5 h ASN 116 Ca 0.50 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 56.08 1pr5 h ASN 116 Cb 0.96 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.32 1pr5 h ASN 116 CO -0.69 0.49 -0.65 0.03 -1.65 0.00 0.00 177.43 174.96 1pr5 h ARG 117 N 0.00 0.37 -0.76 0.81 3.08 -1.56 0.13 114.38 116.45 1pr5 h ARG 117 Ca -0.05 -0.27 -0.01 0.00 0.07 0.00 0.00 59.98 59.71 1pr5 h ARG 117 Cb 1.42 0.05 -0.04 0.00 0.08 0.00 0.00 29.97 31.48 1pr5 h ARG 117 CO 0.05 0.89 0.42 0.82 -1.07 0.00 0.00 179.97 181.09 1pr5 h ILE 118 N 0.27 1.23 -0.00 2.04 2.04 -0.90 0.50 117.51 122.68 1pr5 h ILE 118 Ca -0.01 -0.56 0.00 0.00 1.00 0.00 0.00 64.86 65.28 1pr5 h ILE 118 Cb 1.19 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 37.49 1pr5 h ILE 118 CO 0.11 0.25 -0.41 -2.11 0.00 0.00 0.00 178.15 175.99 1pr5 n ARG 119 N -4.45 0.17 -1.80 2.37 1.85 -1.07 -4.18 116.66 109.54 1pr5 n ARG 119 Ca 0.07 -0.09 -0.22 0.00 -1.00 0.00 0.00 57.85 56.61 1pr5 n ARG 119 Cb 0.09 -1.50 0.05 0.00 -1.05 0.00 0.00 32.46 30.05 1pr5 n ARG 119 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1pr5 n PHE 120 N -1.34 2.53 -4.15 2.89 7.35 0.42 -4.96 117.46 120.21 1pr5 n PHE 120 Ca 0.07 -2.22 -0.33 0.00 -0.76 0.00 0.00 57.45 54.21 1pr5 n PHE 120 Cb 0.34 -0.45 -0.03 0.00 0.35 0.00 0.00 39.48 39.69 1pr5 n PHE 120 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 1pr5 n LYS 121 N -0.78 -3.13 -1.03 -4.13 5.02 -1.03 -1.04 118.16 112.05 1pr5 n LYS 121 Ca 0.44 0.37 -0.01 0.00 -2.02 0.00 0.00 58.31 57.09 1pr5 n LYS 121 Cb 0.92 -4.87 -0.00 0.00 -0.02 0.00 0.00 35.03 31.06 1pr5 n LYS 121 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1pr5 n ASP 122 N -2.76 -5.40 -4.41 4.39 2.03 0.17 -4.98 116.55 105.59 1pr5 n ASP 122 Ca -0.05 0.02 -0.20 0.00 0.52 0.00 0.00 54.79 55.07 1pr5 n ASP 122 Cb 0.56 -2.98 0.10 0.00 -0.72 0.00 0.00 41.12 38.08 1pr5 n ASP 122 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 1pr5 n HIS 123 N -2.21 -2.85 -2.97 -0.67 8.25 -0.21 -4.98 115.22 109.59 1pr5 n HIS 123 Ca -0.01 -1.69 -0.42 0.00 -0.26 0.00 0.00 57.72 55.34 1pr5 n HIS 123 Cb 0.41 -0.64 -0.05 0.00 1.12 0.00 0.00 29.99 30.83 1pr5 n HIS 123 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1pr5 s ASP 124 N -4.65 6.49 -0.20 0.41 1.01 -1.26 -4.57 116.67 113.91 1pr5 s ASP 124 Ca 0.60 0.18 -0.09 0.00 0.71 0.00 0.00 52.55 53.96 1pr5 s ASP 124 Cb -0.04 -2.39 -0.04 0.00 1.01 0.00 0.00 42.92 41.46 1pr5 s ASP 124 CO 0.39 -0.78 0.09 0.12 0.21 0.00 0.00 175.17 175.21 1pr5 s PHE 125 N 3.13 3.30 -0.60 4.23 5.36 -1.26 -5.05 117.98 127.10 1pr5 s PHE 125 Ca 0.30 0.15 -0.21 0.00 -0.96 0.00 0.00 56.93 56.22 1pr5 s PHE 125 Cb -0.13 -2.13 0.08 0.00 -0.34 0.00 0.00 43.02 40.50 1pr5 s PHE 125 CO 0.19 0.17 0.81 0.00 -1.46 0.00 0.00 175.22 174.93 1pr5 s ALA 126 N 0.49 3.28 -0.58 11.12 0.00 -1.26 -4.98 121.76 129.82 1pr5 s ALA 126 Ca 0.05 -1.93 -0.27 0.00 0.00 0.00 0.00 51.96 49.81 1pr5 s ALA 126 Cb -0.12 -3.64 -0.01 0.00 0.00 0.00 0.00 23.12 19.34 1pr5 s ALA 126 CO 0.00 -2.46 1.72 0.00 0.00 0.00 0.00 175.76 175.02 1pr5 s ALA 127 N 3.30 2.41 0.29 0.00 0.00 -1.26 -4.97 121.76 121.53 1pr5 s ALA 127 Ca 0.17 -0.62 0.10 0.00 0.00 0.00 0.00 51.96 51.61 1pr5 s ALA 127 Cb -0.20 -4.23 -0.05 0.00 0.00 0.00 0.00 23.12 18.64 1pr5 s ALA 127 CO 0.10 -3.53 -0.06 0.96 0.00 0.00 0.00 175.76 173.22 1pr5 s ILE 128 N 8.00 2.88 0.82 0.00 -4.36 -1.26 -1.61 121.20 125.66 1pr5 s ILE 128 Ca 0.63 -2.10 -0.07 0.00 -0.26 0.00 0.00 60.65 58.85 1pr5 s ILE 128 Cb -0.13 -2.65 0.15 0.00 1.25 0.00 0.00 42.46 41.08 1pr5 s ILE 128 CO 0.22 -0.33 1.13 0.00 0.24 0.00 0.00 174.94 176.20 1pr5 s ALA 129 N -2.45 3.08 -0.01 2.27 0.00 -0.22 -4.84 121.76 119.60 1pr5 s ALA 129 Ca 0.32 -1.48 -0.29 0.00 0.00 0.00 0.00 51.96 50.51 1pr5 s ALA 129 Cb -0.04 -2.35 -0.03 0.00 0.00 0.00 0.00 23.12 20.70 1pr5 s ALA 129 CO 0.18 -1.85 0.94 0.34 0.00 0.00 0.00 175.76 175.36 1pr5 s ASP 130 N -4.79 7.32 0.11 0.00 -1.08 -0.73 -4.97 116.67 112.54 1pr5 s ASP 130 Ca 0.69 1.59 -0.31 0.00 -0.52 0.00 0.00 52.55 54.00 1pr5 s ASP 130 Cb -0.05 -2.55 -0.11 0.00 -1.46 0.00 0.00 42.92 38.76 1pr5 s ASP 130 CO 0.48 -0.23 1.59 0.15 0.52 0.00 0.00 175.17 177.68 1pr5 h PHE 131 N 6.74 -1.19 -0.79 -5.34 3.57 -1.96 -1.26 116.94 116.71 1pr5 h PHE 131 Ca -0.41 0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.21 1pr5 h PHE 131 Cb 1.22 0.50 -0.07 0.00 2.79 0.00 0.00 35.95 40.39 1pr5 h PHE 131 CO 0.67 -0.53 0.44 -0.44 -2.23 0.00 0.00 178.31 176.23 1pr5 h ASP 132 N -0.68 0.62 -0.69 0.41 3.45 -1.99 -0.10 116.42 117.45 1pr5 h ASP 132 Ca 0.01 0.05 0.02 0.00 0.43 0.00 0.00 57.03 57.55 1pr5 h ASP 132 Cb 0.69 -0.07 -0.04 0.00 -0.56 0.00 0.00 39.33 39.35 1pr5 h ASP 132 CO -0.23 0.36 0.44 0.24 -1.57 0.00 0.00 179.24 178.48 1pr5 h MET 133 N 0.75 0.84 -0.61 3.56 2.86 -1.86 0.21 114.93 120.68 1pr5 h MET 133 Ca 0.38 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.94 1pr5 h MET 133 Cb 0.34 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 31.78 1pr5 h MET 133 CO -0.24 0.55 0.29 0.28 1.06 0.00 0.00 176.91 178.85 1pr5 h VAL 134 N 0.86 1.21 -0.57 -2.22 2.07 -0.14 -2.52 116.25 114.95 1pr5 h VAL 134 Ca 0.27 -0.60 -0.06 0.00 0.82 0.00 0.00 66.70 67.14 1pr5 h VAL 134 Cb -0.01 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 1pr5 h VAL 134 CO -0.10 0.24 0.13 -0.09 0.02 0.00 0.00 177.57 177.78 1pr5 h ARG 135 N 0.83 0.91 -0.93 1.57 2.43 -0.33 -1.58 114.38 117.28 1pr5 h ARG 135 Ca 0.21 -0.22 0.01 0.00 -0.81 0.00 0.00 59.98 59.17 1pr5 h ARG 135 Cb 0.12 -0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 29.50 1pr5 h ARG 135 CO -0.03 0.85 0.61 -0.91 -1.51 0.00 0.00 179.97 178.99 1pr5 h ASN 136 N 0.82 1.06 -0.36 -3.80 2.35 -0.44 0.21 115.58 115.42 1pr5 h ASN 136 Ca 0.18 -0.03 -0.16 0.00 -0.55 0.00 0.00 56.30 55.74 1pr5 h ASN 136 Cb 0.35 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 1pr5 h ASN 136 CO 0.00 0.76 -0.40 0.00 -1.65 0.00 0.00 177.43 176.14 1pr5 h ALA 137 N 1.43 0.58 -0.53 -0.83 0.00 -1.21 -0.44 119.26 118.25 1pr5 h ALA 137 Ca 0.34 -0.46 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 1pr5 h ALA 137 Cb -0.13 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1pr5 h ALA 137 CO -0.08 0.68 0.13 0.28 0.00 0.00 0.00 179.25 180.26 1pr5 h VAL 138 N 0.75 1.24 -0.06 0.00 2.07 -0.64 -0.10 116.25 119.51 1pr5 h VAL 138 Ca 0.06 -0.87 -0.02 0.00 0.82 0.00 0.00 66.70 66.69 1pr5 h VAL 138 Cb 0.99 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 31.55 1pr5 h VAL 138 CO 0.10 0.32 -0.02 0.44 0.02 0.00 0.00 177.57 178.42 1pr5 h ASP 139 N 0.75 0.12 -0.46 0.57 3.45 -0.95 -2.52 116.42 117.39 1pr5 h ASP 139 Ca 0.17 -0.39 0.05 0.00 0.43 0.00 0.00 57.03 57.29 1pr5 h ASP 139 Cb 0.34 -0.03 -0.03 0.00 -0.56 0.00 0.00 39.33 39.05 1pr5 h ASP 139 CO 0.00 0.49 0.31 0.00 -1.57 0.00 0.00 179.24 178.46 1pr5 h ALA 140 N 0.64 1.92 -0.13 3.45 0.00 -1.01 -1.07 119.26 123.06 1pr5 h ALA 140 Ca 0.01 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 1pr5 h ALA 140 Cb 0.44 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1pr5 h ALA 140 CO 0.01 0.00 -0.61 0.00 0.00 0.00 0.00 179.25 178.65 1pr5 h ALA 141 N 1.75 0.70 -0.18 0.00 0.00 -0.86 -2.38 119.26 118.29 1pr5 h ALA 141 Ca 0.20 -0.54 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 1pr5 h ALA 141 Cb 0.27 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1pr5 h ALA 141 CO -0.05 0.71 0.03 0.87 0.00 0.00 0.00 179.25 180.82 1pr5 h LYS 142 N 0.34 0.29 -0.38 0.00 1.57 -0.78 0.38 116.57 117.99 1pr5 h LYS 142 Ca -0.01 -0.07 0.07 0.00 -1.87 0.00 0.00 60.65 58.77 1pr5 h LYS 142 Cb 1.15 -0.04 -0.06 0.00 0.08 0.00 0.00 32.23 33.37 1pr5 h LYS 142 CO 0.11 0.44 0.02 0.00 -0.57 0.00 0.00 179.45 179.45 1pr5 h ALA 143 N 0.83 0.36 0.00 3.86 0.00 -1.32 1.04 119.26 124.03 1pr5 h ALA 143 Ca 0.05 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1pr5 h ALA 143 Cb 0.29 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1pr5 h ALA 143 CO 0.00 -0.38 0.00 1.28 0.00 0.00 0.00 179.25 180.15 1pr5 n LEU 144 N -5.17 0.25 -2.22 0.00 7.99 -0.90 -4.79 117.00 112.17 1pr5 n LEU 144 Ca 0.02 -0.13 -0.13 0.00 -0.01 0.00 0.00 56.01 55.77 1pr5 n LEU 144 Cb 0.19 -0.13 -0.02 0.00 -0.11 0.00 0.00 43.42 43.36 1pr5 n LEU 144 CO 0.21 0.06 -0.15 0.61 -1.51 0.00 0.00 177.39 176.61 1pr5 n GLY 145 N 0.13 -0.15 3.16 -0.72 0.00 0.36 -4.94 105.19 103.03 1pr5 n GLY 145 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1pr5 n GLY 145 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1pr5 s ILE 146 N -2.51 2.52 0.69 -0.61 2.07 0.13 -4.98 121.20 118.51 1pr5 s ILE 146 Ca 0.00 -1.07 -0.16 0.00 -1.41 0.00 0.00 60.65 58.00 1pr5 s ILE 146 Cb 0.00 -2.24 0.02 0.00 0.13 0.00 0.00 42.46 40.37 1pr5 s ILE 146 CO 0.00 0.28 1.25 1.51 -1.91 0.00 0.00 174.94 176.07 1pr5 s ASP 147 N 1.28 4.39 -0.12 4.50 1.47 -1.26 -3.96 116.67 122.97 1pr5 s ASP 147 Ca 0.00 2.48 -0.08 0.00 1.18 0.00 0.00 52.55 56.14 1pr5 s ASP 147 Cb -0.16 -2.60 0.04 0.00 -0.34 0.00 0.00 42.92 39.86 1pr5 s ASP 147 CO -0.07 -2.14 0.31 0.00 0.68 0.00 0.00 175.17 173.94 1pr5 s ALA 148 N -1.71 -0.74 0.21 2.11 0.00 -1.26 -4.62 121.76 115.74 1pr5 s ALA 148 Ca 0.78 1.10 -0.24 0.00 0.00 0.00 0.00 51.96 53.60 1pr5 s ALA 148 Cb -0.33 -0.68 -0.08 0.00 0.00 0.00 0.00 23.12 22.03 1pr5 s ALA 148 CO 0.42 -0.20 0.80 1.03 0.00 0.00 0.00 175.76 177.81 1pr5 s ARG 149 N 0.99 4.51 -0.10 0.00 0.52 -0.92 -4.93 118.95 119.01 1pr5 s ARG 149 Ca -0.07 1.13 0.03 0.00 -0.52 0.00 0.00 55.73 56.30 1pr5 s ARG 149 Cb -0.08 -3.09 0.01 0.00 0.52 0.00 0.00 34.95 32.31 1pr5 s ARG 149 CO -0.07 0.48 -0.19 0.08 0.02 0.00 0.00 175.30 175.62 1pr5 s VAL 150 N -1.32 1.72 -0.33 3.52 1.01 -1.26 0.53 120.40 124.27 1pr5 s VAL 150 Ca 0.40 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.58 1pr5 s VAL 150 Cb -0.21 -1.53 0.00 0.00 0.00 0.00 0.00 36.38 34.64 1pr5 s VAL 150 CO 0.25 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.44 1pr5 n GLY 151 N 3.87 -0.73 3.81 4.51 0.00 -0.34 -4.93 105.19 111.39 1pr5 n GLY 151 Ca -0.20 -0.39 -0.38 0.00 0.00 0.00 0.00 46.02 45.06 1pr5 n GLY 151 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1pr5 s ASN 152 N -4.00 7.05 0.27 1.61 0.02 -1.26 -0.57 114.94 118.06 1pr5 s ASN 152 Ca 0.00 1.27 0.10 0.00 -1.02 0.00 0.00 52.86 53.21 1pr5 s ASN 152 Cb 0.00 -2.36 -0.05 0.00 0.02 0.00 0.00 41.25 38.86 1pr5 s ASN 152 CO 0.00 0.22 -0.04 -0.76 0.02 0.00 0.00 177.10 176.53 1pr5 s LEU 153 N -1.35 3.05 -0.15 0.60 1.43 -0.44 -0.47 118.68 121.34 1pr5 s LEU 153 Ca 0.32 -0.75 0.02 0.00 -1.03 0.00 0.00 54.13 52.69 1pr5 s LEU 153 Cb -0.19 -1.56 0.01 0.00 0.03 0.00 0.00 46.19 44.49 1pr5 s LEU 153 CO 0.20 -0.01 -0.20 0.12 0.23 0.00 0.00 176.35 176.68 1pr5 s PHE 154 N -2.38 2.71 -0.46 0.29 5.36 -0.76 0.83 117.98 123.57 1pr5 s PHE 154 Ca 0.31 -1.35 -0.16 0.00 -0.96 0.00 0.00 56.93 54.78 1pr5 s PHE 154 Cb -0.06 -1.85 0.05 0.00 -0.34 0.00 0.00 43.02 40.83 1pr5 s PHE 154 CO 0.19 -0.62 0.41 -1.12 -1.46 0.00 0.00 175.22 172.62 1pr5 s SER 155 N 0.90 6.16 0.17 6.13 0.01 0.25 -1.37 113.70 125.94 1pr5 s SER 155 Ca -0.05 -1.11 -0.16 0.00 1.31 0.00 0.00 55.95 55.95 1pr5 s SER 155 Cb -0.15 -2.20 -0.07 0.00 0.21 0.00 0.00 66.02 63.81 1pr5 s SER 155 CO -0.04 -0.63 0.60 0.00 0.41 0.00 0.00 173.24 173.58 1pr5 s ALA 156 N 1.85 3.53 -0.02 1.44 0.00 -0.18 -3.02 121.76 125.36 1pr5 s ALA 156 Ca 0.07 -0.04 0.05 0.00 0.00 0.00 0.00 51.96 52.04 1pr5 s ALA 156 Cb -0.22 -2.61 -0.24 0.00 0.00 0.00 0.00 23.12 20.05 1pr5 s ALA 156 CO 0.09 0.42 0.76 -0.44 0.00 0.00 0.00 175.76 176.59 1pr5 h ASP 157 N 3.53 0.15 -3.69 0.00 3.32 -1.89 -3.41 116.42 114.42 1pr5 h ASP 157 Ca -0.48 -0.26 -0.69 0.00 0.02 0.00 0.00 57.03 55.62 1pr5 h ASP 157 Cb 1.19 -0.05 -0.33 0.00 0.22 0.00 0.00 39.33 40.36 1pr5 h ASP 157 CO 0.66 1.23 -0.66 -0.76 -1.72 0.00 0.00 179.24 177.99 1pr5 s LEU 158 N -6.53 4.32 0.31 1.55 1.02 -1.26 -4.95 118.68 113.14 1pr5 s LEU 158 Ca -0.07 -1.51 -0.01 0.00 0.02 0.00 0.00 54.13 52.56 1pr5 s LEU 158 Cb 0.08 -1.75 0.50 0.00 0.02 0.00 0.00 46.19 45.04 1pr5 s LEU 158 CO 0.82 -0.34 1.96 0.15 0.02 0.00 0.00 176.35 178.96 1pr5 h PHE 159 N 8.00 0.95 -3.65 0.29 3.04 -1.98 -3.13 116.94 120.46 1pr5 h PHE 159 Ca -0.18 0.01 -0.76 0.00 3.98 0.00 0.00 57.97 61.02 1pr5 h PHE 159 Cb 1.06 -0.31 -0.30 0.00 2.56 0.00 0.00 35.95 38.95 1pr5 h PHE 159 CO 0.59 0.62 0.01 0.71 -2.02 0.00 0.00 178.31 178.22 1pr5 s TYR 160 N -5.78 3.77 0.15 0.41 2.02 -1.26 -5.05 117.35 111.61 1pr5 s TYR 160 Ca -0.11 -2.43 -0.30 0.00 -0.37 0.00 0.00 57.07 53.86 1pr5 s TYR 160 Cb 0.17 -3.59 -0.07 0.00 -0.40 0.00 0.00 41.96 38.08 1pr5 s TYR 160 CO 0.79 -0.91 1.11 0.45 -1.57 0.00 0.00 175.55 175.41 1pr5 s SER 161 N 1.33 7.25 0.18 2.29 0.15 -1.19 -4.91 113.70 118.80 1pr5 s SER 161 Ca 0.21 2.05 0.12 0.00 0.70 0.00 0.00 55.95 59.03 1pr5 s SER 161 Cb -0.12 -2.60 -0.08 0.00 -1.71 0.00 0.00 66.02 61.51 1pr5 s SER 161 CO -0.08 -0.26 1.30 1.55 1.20 0.00 0.00 173.24 176.95 1pr5 h PRO 162 N 5.46 0.00 -3.48 5.44 0.13 -1.97 -3.37 132.00 134.22 1pr5 h PRO 162 Ca -0.44 0.00 -0.76 0.00 -0.87 0.00 0.00 66.00 63.93 1pr5 h PRO 162 Cb 1.21 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.17 1pr5 h PRO 162 CO 0.74 0.70 1.86 -3.47 -0.23 0.00 0.00 178.00 177.59 1pr5 n ASP 163 N -3.25 5.25 0.25 1.44 4.64 -1.26 -4.80 116.55 118.81 1pr5 n ASP 163 Ca -0.00 -3.14 0.12 0.00 -1.38 0.00 0.00 54.79 50.38 1pr5 n ASP 163 Cb 0.84 -1.46 0.62 0.00 -1.04 0.00 0.00 41.12 40.09 1pr5 n ASP 163 CO 0.00 0.00 0.00 1.23 -0.82 0.00 0.00 177.20 177.61 1pr5 h GLY 164 N 7.65 0.00 1.76 0.27 0.00 -2.01 -2.33 103.07 108.42 1pr5 h GLY 164 Ca 0.37 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.72 1pr5 h GLY 164 CO 1.58 0.00 0.12 0.83 0.00 0.00 0.00 176.54 179.07 1pr5 h GLU 165 N 0.00 0.14 -0.11 4.80 5.08 -1.96 -3.08 114.58 119.46 1pr5 h GLU 165 Ca 0.00 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.38 1pr5 h GLU 165 Cb 0.53 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 1pr5 h GLU 165 CO 0.00 0.09 0.08 0.52 -1.00 0.00 0.00 179.01 178.71 1pr5 h MET 166 N 0.15 0.00 -0.96 2.33 2.86 -1.85 -2.93 114.93 114.53 1pr5 h MET 166 Ca 0.07 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 1pr5 h MET 166 Cb 0.11 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.72 1pr5 h MET 166 CO -0.01 0.00 0.60 0.74 1.06 0.00 0.00 176.91 179.30 1pr5 h PHE 167 N 0.00 1.24 -0.26 -0.22 0.05 -1.79 0.32 116.94 116.27 1pr5 h PHE 167 Ca 0.05 0.01 -0.14 0.00 3.82 0.00 0.00 57.97 61.71 1pr5 h PHE 167 Cb 0.22 -0.41 -0.01 0.00 2.00 0.00 0.00 35.95 37.75 1pr5 h PHE 167 CO 0.00 0.81 -0.40 -0.44 -0.18 0.00 0.00 178.31 178.09 1pr5 h ASP 168 N 1.32 0.66 -0.05 2.17 3.45 -1.75 -1.53 116.42 120.68 1pr5 h ASP 168 Ca 0.35 -0.29 -0.00 0.00 0.43 0.00 0.00 57.03 57.51 1pr5 h ASP 168 Cb -0.10 -0.18 -0.00 0.00 -0.56 0.00 0.00 39.33 38.49 1pr5 h ASP 168 CO -0.07 0.98 0.02 0.58 -1.57 0.00 0.00 179.24 179.19 1pr5 h VAL 169 N 0.51 1.12 -0.78 -1.35 2.07 -1.27 0.98 116.25 117.52 1pr5 h VAL 169 Ca 0.04 -0.35 0.05 0.00 0.82 0.00 0.00 66.70 67.26 1pr5 h VAL 169 Cb 0.92 1.26 -0.06 0.00 -1.52 0.00 0.00 31.29 31.89 1pr5 h VAL 169 CO 0.08 0.10 0.48 0.24 0.02 0.00 0.00 177.57 178.49 1pr5 h MET 170 N -0.05 0.87 -0.45 1.57 2.86 -0.31 -1.69 114.93 117.72 1pr5 h MET 170 Ca 0.02 -0.05 -0.12 0.00 -2.06 0.00 0.00 59.70 57.48 1pr5 h MET 170 Cb 0.14 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 1pr5 h MET 170 CO -0.00 0.58 -0.20 1.49 1.06 0.00 0.00 176.91 179.84 1pr5 h GLU 171 N 0.90 0.90 -0.60 1.72 4.81 -1.06 -1.00 114.58 120.24 1pr5 h GLU 171 Ca 0.33 -0.36 0.03 0.00 -0.13 0.00 0.00 59.36 59.23 1pr5 h GLU 171 Cb 0.12 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.42 1pr5 h GLU 171 CO -0.15 1.02 0.36 -0.22 -0.73 0.00 0.00 179.01 179.28 1pr5 h LYS 172 N 0.79 0.69 -0.71 1.92 3.64 0.05 -1.17 116.57 121.78 1pr5 h LYS 172 Ca 0.11 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1pr5 h LYS 172 Cb 0.74 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 1pr5 h LYS 172 CO 0.06 0.45 0.00 0.66 -2.27 0.00 0.00 179.45 178.35 1pr5 n TYR 173 N -4.75 1.24 -4.02 1.91 4.01 -0.73 -4.96 117.16 109.86 1pr5 n TYR 173 Ca 0.06 -0.44 -0.30 0.00 -0.16 0.00 0.00 57.90 57.06 1pr5 n TYR 173 Cb 0.09 -0.32 -0.01 0.00 -0.31 0.00 0.00 39.34 38.79 1pr5 n TYR 173 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1pr5 n GLY 174 N 0.49 -0.35 3.72 2.72 0.00 -0.44 -4.97 105.19 106.36 1pr5 n GLY 174 Ca 0.17 0.15 -0.41 0.00 0.00 0.00 0.00 46.02 45.93 1pr5 n GLY 174 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1pr5 s ILE 175 N -3.59 4.22 0.01 -0.61 -5.25 -0.45 -4.72 121.20 110.82 1pr5 s ILE 175 Ca 0.38 1.74 -0.25 0.00 -0.99 0.00 0.00 60.65 61.53 1pr5 s ILE 175 Cb -0.20 -4.11 -0.14 0.00 2.95 0.00 0.00 42.46 40.96 1pr5 s ILE 175 CO 0.89 0.22 1.08 -0.07 -1.79 0.00 0.00 174.94 175.26 1pr5 h LEU 176 N 5.97 -0.75 -8.76 0.37 3.38 -1.12 -3.42 115.31 110.99 1pr5 h LEU 176 Ca -0.43 0.03 -0.39 0.00 0.09 0.00 0.00 57.88 57.18 1pr5 h LEU 176 Cb 1.21 0.19 -0.15 0.00 0.09 0.00 0.00 40.66 42.01 1pr5 h LEU 176 CO 0.75 -0.40 -0.72 -0.83 0.09 0.00 0.00 178.44 177.32 1pr5 s GLY 177 N -2.35 1.23 -0.18 0.83 0.00 -1.25 -3.94 107.32 101.67 1pr5 s GLY 177 Ca -0.13 -1.57 -0.01 0.00 0.00 0.00 0.00 44.72 43.02 1pr5 s GLY 177 CO 0.39 -1.66 -0.13 0.14 0.00 0.00 0.00 173.10 171.83 1pr5 s VAL 178 N -3.13 2.71 0.00 1.40 1.01 0.50 -1.82 120.40 121.07 1pr5 s VAL 178 Ca 0.19 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.44 1pr5 s VAL 178 Cb 0.01 -2.17 0.00 0.00 0.00 0.00 0.00 36.38 34.21 1pr5 s VAL 178 CO 0.03 0.50 0.00 -1.84 0.00 0.00 0.00 175.10 173.79 1pr5 n GLU 179 N 4.42 0.61 -0.43 2.72 -0.00 -0.47 -1.26 120.64 126.24 1pr5 n GLU 179 Ca -0.19 0.00 0.01 0.00 -0.00 0.00 0.00 57.16 56.98 1pr5 n GLU 179 Cb 0.51 0.00 0.02 0.00 -0.00 0.00 0.00 31.44 31.97 1pr5 n GLU 179 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1pr5 n MET 180 N 0.00 0.18 0.00 3.44 2.81 -1.26 -1.01 117.12 121.28 1pr5 n MET 180 Ca 0.00 -1.20 0.00 0.00 -1.81 0.00 0.00 57.70 54.69 1pr5 n MET 180 Cb 0.00 -0.64 0.00 0.00 -0.71 0.00 0.00 33.22 31.87 1pr5 n MET 180 CO 0.00 0.00 0.00 -0.85 1.51 0.00 0.00 175.97 176.63 1pr5 n GLU 181 N -0.19 0.47 -0.19 0.03 0.00 -1.26 -2.31 120.64 117.18 1pr5 n GLU 181 Ca 0.02 0.00 -0.04 0.00 0.00 0.00 0.00 57.16 57.14 1pr5 n GLU 181 Cb 0.69 -0.04 0.02 0.00 0.00 0.00 0.00 31.44 32.11 1pr5 n GLU 181 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1pr5 h ALA 182 N 0.00 0.07 0.00 -1.84 0.00 -1.93 0.86 119.26 116.42 1pr5 h ALA 182 Ca 0.00 0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1pr5 h ALA 182 Cb 0.00 0.68 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1pr5 h ALA 182 CO 0.00 -0.61 -0.14 0.00 0.00 0.00 0.00 179.25 178.50 1pr5 h ALA 183 N 1.14 1.67 -0.15 0.00 0.00 -1.84 -1.22 119.26 118.86 1pr5 h ALA 183 Ca 0.24 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 1pr5 h ALA 183 Cb 0.53 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1pr5 h ALA 183 CO -0.65 0.17 -0.31 0.78 0.00 0.00 0.00 179.25 179.24 1pr5 h GLY 184 N 0.47 0.53 1.10 0.00 0.00 -1.23 -2.21 103.07 101.73 1pr5 h GLY 184 Ca -0.00 -0.63 -0.14 0.00 0.00 0.00 0.00 47.33 46.55 1pr5 h GLY 184 CO 0.02 0.57 -0.31 -2.22 0.00 0.00 0.00 176.54 174.60 1pr5 h ILE 185 N 0.11 1.27 -0.77 2.60 2.04 -0.95 -2.37 117.51 119.43 1pr5 h ILE 185 Ca 0.00 -1.47 -0.05 0.00 1.00 0.00 0.00 64.86 64.34 1pr5 h ILE 185 Cb 0.91 1.32 -0.03 0.00 -0.74 0.00 0.00 36.82 38.28 1pr5 h ILE 185 CO 0.07 0.50 0.28 1.88 0.00 0.00 0.00 178.15 180.88 1pr5 h TYR 186 N 0.75 1.21 -0.64 1.37 0.99 -1.30 -0.49 116.97 118.85 1pr5 h TYR 186 Ca 0.08 -0.10 -0.00 0.00 2.00 0.00 0.00 58.73 60.70 1pr5 h TYR 186 Cb 0.89 -0.36 -0.03 0.00 1.00 0.00 0.00 36.73 38.24 1pr5 h TYR 186 CO 0.06 0.93 0.39 0.78 -0.00 0.00 0.00 178.16 180.32 1pr5 h GLY 187 N 1.14 0.93 0.88 3.88 0.00 -1.26 -0.98 103.07 107.65 1pr5 h GLY 187 Ca 0.25 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 47.19 1pr5 h GLY 187 CO -0.02 0.37 0.06 -2.08 0.00 0.00 0.00 176.54 174.88 1pr5 h VAL 188 N 0.87 1.16 -0.40 4.60 2.07 -1.01 -1.39 116.25 122.15 1pr5 h VAL 188 Ca 0.23 -0.50 0.08 0.00 0.82 0.00 0.00 66.70 67.34 1pr5 h VAL 188 Cb -0.03 1.18 -0.09 0.00 -1.52 0.00 0.00 31.29 30.83 1pr5 h VAL 188 CO -0.04 0.15 -0.19 0.00 0.02 0.00 0.00 177.57 177.51 1pr5 h ALA 189 N 0.90 0.11 -0.11 1.67 0.00 -0.70 0.42 119.26 121.54 1pr5 h ALA 189 Ca 0.05 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1pr5 h ALA 189 Cb 0.19 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1pr5 h ALA 189 CO -0.00 -0.56 0.07 0.00 0.00 0.00 0.00 179.25 178.76 1pr5 h ALA 190 N 1.16 0.14 -0.78 0.00 0.00 -1.05 0.60 119.26 119.33 1pr5 h ALA 190 Ca 0.20 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1pr5 h ALA 190 Cb 0.42 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1pr5 h ALA 190 CO -0.48 -0.35 0.49 1.49 0.00 0.00 0.00 179.25 180.40 1pr5 h GLU 191 N 0.12 1.05 -0.39 0.00 4.81 -0.44 -3.05 114.58 116.67 1pr5 h GLU 191 Ca 0.04 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1pr5 h GLU 191 Cb 0.02 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.17 1pr5 h GLU 191 CO -0.01 0.73 0.00 1.19 -0.73 0.00 0.00 179.01 180.19 1pr5 n PHE 192 N -4.50 1.37 -3.48 0.92 3.01 0.06 -5.00 117.46 109.84 1pr5 n PHE 192 Ca 0.08 -0.80 -0.23 0.00 1.01 0.00 0.00 57.45 57.50 1pr5 n PHE 192 Cb 0.04 -0.38 0.05 0.00 -0.01 0.00 0.00 39.48 39.19 1pr5 n PHE 192 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1pr5 n GLY 193 N -0.00 -1.09 3.12 1.37 0.00 -0.28 -4.94 105.19 103.37 1pr5 n GLY 193 Ca 0.24 0.51 -0.23 0.00 0.00 0.00 0.00 46.02 46.54 1pr5 n GLY 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pr5 n ALA 194 N -3.61 0.56 -2.37 4.61 0.00 0.05 -5.04 120.51 114.70 1pr5 n ALA 194 Ca -0.08 -1.93 -0.31 0.00 0.00 0.00 0.00 53.44 51.12 1pr5 n ALA 194 Cb 0.60 1.34 -0.16 0.00 0.00 0.00 0.00 19.45 21.23 1pr5 n ALA 194 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1pr5 s LYS 195 N -3.43 2.21 0.10 0.00 1.02 -0.59 -4.51 119.74 114.53 1pr5 s LYS 195 Ca 0.22 -0.89 -0.07 0.00 0.02 0.00 0.00 55.97 55.24 1pr5 s LYS 195 Cb 0.01 -2.10 -0.01 0.00 -0.52 0.00 0.00 37.83 35.21 1pr5 s LYS 195 CO 0.16 0.55 0.17 0.00 -0.92 0.00 0.00 175.35 175.30 1pr5 s ALA 196 N -0.58 -0.03 -0.24 5.17 0.00 -1.26 -0.28 121.76 124.53 1pr5 s ALA 196 Ca 0.09 -0.78 -0.25 0.00 0.00 0.00 0.00 51.96 51.02 1pr5 s ALA 196 Cb -0.10 0.53 0.07 0.00 0.00 0.00 0.00 23.12 23.61 1pr5 s ALA 196 CO -0.00 -0.51 0.70 -1.17 0.00 0.00 0.00 175.76 174.78 1pr5 s LEU 197 N -2.89 -0.69 -0.07 0.00 2.96 0.03 -1.77 118.68 116.25 1pr5 s LEU 197 Ca 0.08 1.35 0.04 0.00 -0.22 0.00 0.00 54.13 55.38 1pr5 s LEU 197 Cb 0.05 2.43 0.00 0.00 0.50 0.00 0.00 46.19 49.17 1pr5 s LEU 197 CO -0.09 -0.28 -0.19 0.28 -1.32 0.00 0.00 176.35 174.75 1pr5 s THR 198 N 0.21 1.67 0.01 3.68 -1.32 -1.26 0.15 115.64 118.77 1pr5 s THR 198 Ca -0.01 -0.81 0.06 0.00 -1.21 0.00 0.00 61.69 59.71 1pr5 s THR 198 Cb -0.04 -1.45 -0.03 0.00 -1.51 0.00 0.00 72.50 69.46 1pr5 s THR 198 CO 0.02 0.47 -0.16 -0.63 -2.21 0.00 0.00 174.62 172.11 1pr5 s ILE 199 N 0.29 2.91 0.06 5.08 1.01 -0.02 -2.03 121.20 128.50 1pr5 s ILE 199 Ca -0.12 -0.99 0.01 0.00 0.00 0.00 0.00 60.65 59.54 1pr5 s ILE 199 Cb -0.15 -2.19 -0.04 0.00 0.01 0.00 0.00 42.46 40.09 1pr5 s ILE 199 CO 0.05 0.44 -0.05 0.00 0.00 0.00 0.00 174.94 175.38 1pr5 s THR 201 N -3.07 2.77 -0.39 0.00 -4.23 -1.06 0.75 115.64 110.41 1pr5 s THR 201 Ca 0.03 -0.94 -0.29 0.00 -1.18 0.00 0.00 61.69 59.31 1pr5 s THR 201 Cb 0.02 -2.09 0.01 0.00 1.34 0.00 0.00 72.50 71.78 1pr5 s THR 201 CO -0.05 0.51 1.31 -0.69 -0.54 0.00 0.00 174.62 175.16 1pr5 s VAL 202 N -0.76 4.06 -0.18 2.29 1.01 0.08 -1.71 120.40 125.20 1pr5 s VAL 202 Ca 0.12 1.13 0.19 0.00 0.00 0.00 0.00 61.98 63.41 1pr5 s VAL 202 Cb -0.10 -4.29 -0.05 0.00 0.00 0.00 0.00 36.38 31.93 1pr5 s VAL 202 CO 0.02 -0.73 1.00 0.28 0.00 0.00 0.00 175.10 175.67 1pr5 h SER 203 N 9.87 0.00 -5.14 3.32 0.02 -1.11 -0.83 113.55 119.68 1pr5 h SER 203 Ca -0.26 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.61 1pr5 h SER 203 Cb 1.09 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.61 1pr5 h SER 203 CO 1.08 0.36 0.15 1.51 -1.14 0.00 0.00 176.83 178.79 1pr5 s ASP 204 N -5.74 0.24 0.00 3.07 1.47 -1.23 -4.97 116.67 109.51 1pr5 s ASP 204 Ca -0.01 -1.22 -0.02 0.00 1.18 0.00 0.00 52.55 52.48 1pr5 s ASP 204 Cb 0.09 0.80 -0.01 0.00 -0.34 0.00 0.00 42.92 43.46 1pr5 s ASP 204 CO 0.79 -1.58 0.03 -2.28 0.68 0.00 0.00 175.17 172.81 1pr5 s HIS 205 N -2.55 0.11 -1.18 2.11 2.46 -1.26 -0.27 115.29 114.71 1pr5 s HIS 205 Ca 0.19 -0.24 0.19 0.00 0.47 0.00 0.00 55.06 55.68 1pr5 s HIS 205 Cb -0.04 -0.09 0.90 0.00 -0.13 0.00 0.00 32.58 33.21 1pr5 s HIS 205 CO 0.14 -0.16 1.62 -0.89 -2.47 0.00 0.00 174.74 172.97 1pr5 n ILE 206 N 2.02 0.56 0.00 0.89 2.08 -0.64 -4.89 119.36 119.39 1pr5 n ILE 206 Ca -0.20 0.14 0.00 0.00 0.56 0.00 0.00 62.75 63.25 1pr5 n ILE 206 Cb 0.57 -0.81 0.00 0.00 -0.75 0.00 0.00 39.64 38.64 1pr5 n ILE 206 CO 0.00 0.00 0.00 -1.14 0.56 0.00 0.00 176.55 175.97 1pr5 n ARG 207 N -1.41 3.74 0.00 0.38 3.00 -1.26 -5.13 116.66 115.98 1pr5 n ARG 207 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.92 1pr5 n ARG 207 Cb 0.20 -0.58 0.00 0.00 0.00 0.00 0.00 32.46 32.07 1pr5 n ARG 207 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 1pr5 n THR 212 N -0.91 0.00 -1.95 5.15 -2.24 -1.26 -5.16 114.28 107.91 1pr5 n THR 212 Ca 0.00 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.48 1pr5 n THR 212 Cb 0.00 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.25 1pr5 n THR 212 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1pr5 s THR 213 N -2.00 4.22 0.18 4.28 -4.23 -1.26 -4.94 115.64 111.89 1pr5 s THR 213 Ca 0.00 0.64 -0.09 0.00 -1.18 0.00 0.00 61.69 61.07 1pr5 s THR 213 Cb 0.00 -3.70 0.05 0.00 1.34 0.00 0.00 72.50 70.19 1pr5 s THR 213 CO 0.00 -0.90 1.63 0.00 -0.54 0.00 0.00 174.62 174.80 1pr5 h ALA 214 N -0.40 0.82 -0.55 3.99 0.00 -2.04 -1.05 119.26 120.02 1pr5 h ALA 214 Ca -0.45 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.13 1pr5 h ALA 214 Cb 1.22 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 1pr5 h ALA 214 CO 0.63 0.67 0.36 0.00 0.00 0.00 0.00 179.25 180.90 1pr5 h ALA 215 N 0.98 1.59 0.05 0.00 0.00 -1.98 0.51 119.26 120.42 1pr5 h ALA 215 Ca 0.15 -0.04 -0.27 0.00 0.00 0.00 0.00 54.91 54.75 1pr5 h ALA 215 Cb 0.62 -0.22 0.02 0.00 0.00 0.00 0.00 17.79 18.21 1pr5 h ALA 215 CO 0.04 0.37 -1.12 0.93 0.00 0.00 0.00 179.25 179.47 1pr5 h GLU 216 N 0.75 0.61 -0.31 0.00 5.08 -1.90 -2.33 114.58 116.48 1pr5 h GLU 216 Ca 0.20 -0.73 -0.02 0.00 -1.00 0.00 0.00 59.36 57.82 1pr5 h GLU 216 Cb -0.07 0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1pr5 h GLU 216 CO -0.04 1.31 0.13 0.00 -1.00 0.00 0.00 179.01 179.41 1pr5 h ARG 217 N 0.31 0.46 -0.03 2.33 3.08 -0.44 -2.42 114.38 117.67 1pr5 h ARG 217 Ca -0.15 -0.08 -0.08 0.00 0.07 0.00 0.00 59.98 59.75 1pr5 h ARG 217 Cb 1.78 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.74 1pr5 h ARG 217 CO 0.21 0.46 -0.35 1.96 -1.07 0.00 0.00 179.97 181.18 1pr5 h GLN 218 N 0.36 0.05 -0.60 0.04 4.20 -0.06 -2.22 115.11 116.87 1pr5 h GLN 218 Ca 0.10 -0.02 -0.10 0.00 0.06 0.00 0.00 58.65 58.70 1pr5 h GLN 218 Cb 0.16 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 1pr5 h GLN 218 CO -0.01 0.40 -0.01 1.15 -0.67 0.00 0.00 178.83 179.69 1pr5 h THR 219 N 0.05 1.27 0.00 -0.54 2.02 -1.04 -2.35 112.91 112.31 1pr5 h THR 219 Ca 0.00 -1.17 -0.12 0.00 0.77 0.00 0.00 66.41 65.89 1pr5 h THR 219 Cb 0.64 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 67.84 1pr5 h THR 219 CO 0.05 0.42 -0.59 0.74 0.37 0.00 0.00 175.52 176.51 1pr5 h THR 220 N 0.98 1.39 -0.32 3.16 2.02 -1.19 -1.97 112.91 116.98 1pr5 h THR 220 Ca 0.17 -2.05 -0.07 0.00 0.77 0.00 0.00 66.41 65.24 1pr5 h THR 220 Cb 0.58 2.11 -0.01 0.00 -1.74 0.00 0.00 68.15 69.09 1pr5 h THR 220 CO 0.03 0.58 -0.06 0.15 0.37 0.00 0.00 175.52 176.59 1pr5 h PHE 221 N 0.00 0.68 -0.32 3.16 3.04 -1.19 -1.44 116.94 120.87 1pr5 h PHE 221 Ca -0.01 -0.14 -0.05 0.00 3.98 0.00 0.00 57.97 61.75 1pr5 h PHE 221 Cb 1.07 -0.17 -0.02 0.00 2.56 0.00 0.00 35.95 39.39 1pr5 h PHE 221 CO 0.00 0.78 -0.03 -0.91 -2.02 0.00 0.00 178.31 176.13 1pr5 h ASN 222 N 0.39 0.47 -0.18 0.41 4.21 -1.30 -2.09 115.58 117.48 1pr5 h ASN 222 Ca 0.08 -0.09 -0.02 0.00 1.21 0.00 0.00 56.30 57.49 1pr5 h ASN 222 Cb 0.55 -0.12 -0.01 0.00 -1.12 0.00 0.00 38.32 37.62 1pr5 h ASN 222 CO 0.03 0.56 0.05 0.44 -1.29 0.00 0.00 177.43 177.21 1pr5 h ASP 223 N 0.47 0.26 -0.50 5.81 3.32 -1.11 0.15 116.42 124.83 1pr5 h ASP 223 Ca 0.10 -0.21 0.10 0.00 0.02 0.00 0.00 57.03 57.03 1pr5 h ASP 223 Cb 0.35 -0.07 -0.08 0.00 0.22 0.00 0.00 39.33 39.75 1pr5 h ASP 223 CO 0.01 0.41 -0.02 -0.03 -1.72 0.00 0.00 179.24 177.89 1pr5 h MET 224 N 0.10 0.09 -0.52 3.56 1.85 -0.80 0.25 114.93 119.46 1pr5 h MET 224 Ca 0.06 -0.01 -0.03 0.00 -0.61 0.00 0.00 59.70 59.11 1pr5 h MET 224 Cb 0.24 -0.02 -0.02 0.00 0.43 0.00 0.00 31.60 32.23 1pr5 h MET 224 CO -0.00 0.06 0.19 0.82 -0.40 0.00 0.00 176.91 177.58 1pr5 h ILE 225 N 0.09 1.22 -0.88 1.77 1.08 -1.11 0.37 117.51 120.05 1pr5 h ILE 225 Ca 0.25 -0.71 -0.01 0.00 -0.39 0.00 0.00 64.86 64.00 1pr5 h ILE 225 Cb 0.38 0.70 -0.04 0.00 -3.07 0.00 0.00 36.82 34.79 1pr5 h ILE 225 CO -0.44 0.27 0.53 0.11 -0.69 0.00 0.00 178.15 177.93 1pr5 h LYS 226 N 0.71 1.20 -0.40 2.37 1.57 0.20 0.13 116.57 122.35 1pr5 h LYS 226 Ca 0.17 -0.11 -0.07 0.00 -1.87 0.00 0.00 60.65 58.78 1pr5 h LYS 226 Cb 0.23 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 1pr5 h LYS 226 CO -0.01 0.84 -0.03 0.82 -0.57 0.00 0.00 179.45 180.51 1pr5 h ILE 227 N 1.22 1.23 0.44 1.86 2.04 -0.08 0.10 117.51 124.31 1pr5 h ILE 227 Ca 0.32 -0.94 -0.02 0.00 1.00 0.00 0.00 64.86 65.21 1pr5 h ILE 227 Cb -0.05 0.95 0.00 0.00 -0.74 0.00 0.00 36.82 36.99 1pr5 h ILE 227 CO -0.06 0.32 -0.21 0.00 0.00 0.00 0.00 178.15 178.21 1pr5 h ALA 228 N 1.37 -0.59 -0.66 1.87 0.00 0.20 -1.40 119.26 120.06 1pr5 h ALA 228 Ca 0.12 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1pr5 h ALA 228 Cb 0.42 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1pr5 h ALA 228 CO 0.02 -0.67 0.42 -0.07 0.00 0.00 0.00 179.25 178.95 1pr5 h LEU 229 N -0.91 0.77 -1.22 0.00 3.38 -0.71 -2.60 115.31 114.03 1pr5 h LEU 229 Ca -0.06 -0.04 -0.08 0.00 0.09 0.00 0.00 57.88 57.79 1pr5 h LEU 229 Cb 0.57 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1pr5 h LEU 229 CO 0.10 0.57 -0.37 -0.33 0.09 0.00 0.00 178.44 178.50 1pr5 h GLU 230 N 0.89 0.03 -0.21 1.13 4.39 -0.84 -2.63 114.58 117.34 1pr5 h GLU 230 Ca 0.24 -0.01 -0.12 0.00 0.34 0.00 0.00 59.36 59.80 1pr5 h GLU 230 Cb -0.07 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.56 1pr5 h GLU 230 CO -0.05 0.40 -0.39 0.66 -1.16 0.00 0.00 179.01 178.47 1pr5 h SER 231 N 0.03 0.51 -0.05 1.42 4.64 -0.88 -2.09 113.55 117.13 1pr5 h SER 231 Ca 0.00 -0.22 -0.06 0.00 -0.47 0.00 0.00 61.79 61.04 1pr5 h SER 231 Cb 0.68 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.61 1pr5 h SER 231 CO 0.05 0.85 -0.12 0.58 -0.87 0.00 0.00 176.83 177.32 1pr5 h VAL 232 N 0.41 1.20 -0.19 0.95 2.07 -1.14 -1.58 116.25 117.97 1pr5 h VAL 232 Ca 0.04 -0.88 -0.11 0.00 0.82 0.00 0.00 66.70 66.56 1pr5 h VAL 232 Cb 0.86 1.17 -0.00 0.00 -1.52 0.00 0.00 31.29 31.81 1pr5 h VAL 232 CO 0.07 0.28 -0.32 -0.07 0.02 0.00 0.00 177.57 177.56 1pr5 h LEU 233 N 0.33 0.61 -0.36 2.57 3.38 -1.20 -2.43 115.31 118.21 1pr5 h LEU 233 Ca 0.07 -0.53 0.03 0.00 0.09 0.00 0.00 57.88 57.54 1pr5 h LEU 233 Cb 0.42 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 1pr5 h LEU 233 CO 0.02 1.03 0.16 -0.07 0.09 0.00 0.00 178.44 179.67 1pr5 h LEU 234 N 0.22 0.22 -1.58 1.67 3.38 -1.01 -2.18 115.31 116.03 1pr5 h LEU 234 Ca 0.01 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1pr5 h LEU 234 Cb 0.90 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 1pr5 h LEU 234 CO 0.07 0.17 0.01 1.23 0.09 0.00 0.00 178.44 180.02 1pr5 h GLY 235 N 0.34 0.30 1.35 0.83 0.00 -1.30 -2.11 103.07 102.47 1pr5 h GLY 235 Ca 0.16 -0.14 0.09 0.00 0.00 0.00 0.00 47.33 47.43 1pr5 h GLY 235 CO -0.13 0.14 0.24 -0.55 0.00 0.00 0.00 176.54 176.24 1pr5 h ASP 236 N 0.28 0.00 -0.01 0.19 3.45 -0.88 -3.52 116.42 115.94 1pr5 h ASP 236 Ca 0.07 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.53 1pr5 h ASP 236 Cb 0.17 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.94 1pr5 h ASP 236 CO 0.00 0.00 0.00 0.29 -1.57 0.00 0.00 179.24 177.96