#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wh4 n SER 2 N 0.00 0.00 -3.74 1.61 2.88 -0.27 -5.11 113.62 108.99 1wh4 n SER 2 Ca 0.00 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.47 1wh4 n SER 2 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 1wh4 n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wh4 s SER 3 N 0.00 -0.29 -0.05 -3.46 1.04 -1.26 -5.17 113.70 104.52 1wh4 s SER 3 Ca 0.00 -0.41 -0.30 0.00 0.48 0.00 0.00 55.95 55.71 1wh4 s SER 3 Cb 0.00 0.61 0.11 0.00 0.10 0.00 0.00 66.02 66.84 1wh4 s SER 3 CO 0.00 -1.10 1.33 -0.83 0.98 0.00 0.00 173.24 173.62 1wh4 s GLY 4 N -2.87 -0.29 -0.13 7.32 0.00 -1.26 -5.13 107.32 104.96 1wh4 s GLY 4 Ca 0.09 0.42 -0.09 0.00 0.00 0.00 0.00 44.72 45.14 1wh4 s GLY 4 CO 0.01 3.30 0.18 -1.26 0.00 0.00 0.00 173.10 175.34 1wh4 n SER 5 N -0.79 -2.48 -3.68 1.64 2.88 -1.26 -5.10 113.62 104.82 1wh4 n SER 5 Ca -0.02 1.35 -0.14 0.00 -1.33 0.00 0.00 58.87 58.73 1wh4 n SER 5 Cb 0.61 -4.62 -0.08 0.00 -0.75 0.00 0.00 64.21 59.36 1wh4 n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wh4 s SER 6 N -0.54 -0.49 1.00 -3.46 0.15 -1.26 -5.14 113.70 103.96 1wh4 s SER 6 Ca -0.21 0.80 0.00 0.00 0.70 0.00 0.00 55.95 57.24 1wh4 s SER 6 Cb 0.01 0.83 0.00 0.00 -1.71 0.00 0.00 66.02 65.15 1wh4 s SER 6 CO 0.56 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 175.32 1wh4 n GLY 7 N 2.23 -0.65 2.86 9.45 0.00 -1.26 -5.01 105.19 112.80 1wh4 n GLY 7 Ca -0.16 -0.97 -0.08 0.00 0.00 0.00 0.00 46.02 44.81 1wh4 n GLY 7 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1wh4 n MET 8 N -1.71 -2.37 -3.73 1.61 1.56 -1.26 -5.08 117.12 106.14 1wh4 n MET 8 Ca 0.00 2.11 -0.10 0.00 -0.27 0.00 0.00 57.70 59.44 1wh4 n MET 8 Cb 0.00 -5.65 -0.05 0.00 2.15 0.00 0.00 33.22 29.67 1wh4 n MET 8 CO 0.00 0.00 0.00 -0.80 -0.73 0.00 0.00 175.97 174.44 1wh4 s ASN 9 N -2.60 -0.14 -0.19 6.12 0.01 -1.26 -5.12 114.94 111.75 1wh4 s ASN 9 Ca 0.25 -0.48 -0.38 0.00 -0.71 0.00 0.00 52.86 51.54 1wh4 s ASN 9 Cb -0.07 0.46 -0.15 0.00 0.41 0.00 0.00 41.25 41.91 1wh4 s ASN 9 CO 0.77 -0.87 1.74 0.29 -1.51 0.00 0.00 177.10 177.52 1wh4 n LYS 10 N -0.21 1.42 0.00 -0.60 5.02 -1.26 -4.98 118.16 117.55 1wh4 n LYS 10 Ca -0.14 0.52 0.00 0.00 -2.02 0.00 0.00 58.31 56.67 1wh4 n LYS 10 Cb 0.63 -2.24 0.00 0.00 -0.02 0.00 0.00 35.03 33.40 1wh4 n LYS 10 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1wh4 n PRO 11 N 5.38 0.84 -1.71 1.97 -0.04 -1.26 -4.98 135.00 135.20 1wh4 n PRO 11 Ca 0.25 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.30 1wh4 n PRO 11 Cb 0.18 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 33.66 1wh4 n PRO 11 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1wh4 n LEU 12 N 0.00 4.28 -4.77 1.53 7.99 -1.25 -4.97 117.00 119.80 1wh4 n LEU 12 Ca 0.00 1.08 -0.34 0.00 -0.01 0.00 0.00 56.01 56.74 1wh4 n LEU 12 Cb 0.00 -1.51 0.02 0.00 -0.11 0.00 0.00 43.42 41.82 1wh4 n LEU 12 CO 0.00 -0.65 0.76 0.42 -1.51 0.00 0.00 177.39 176.42 1wh4 s THR 13 N -1.22 3.18 0.22 -5.08 -4.23 -1.26 -4.78 115.64 102.47 1wh4 s THR 13 Ca 0.63 0.64 0.34 0.00 -1.18 0.00 0.00 61.69 62.12 1wh4 s THR 13 Cb -0.49 -3.19 0.35 0.00 1.34 0.00 0.00 72.50 70.51 1wh4 s THR 13 CO 0.57 -0.25 2.04 1.55 -0.54 0.00 0.00 174.62 177.99 1wh4 h PRO 14 N 0.63 0.00 0.00 3.99 0.13 -1.93 -1.48 132.00 133.34 1wh4 h PRO 14 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1wh4 h PRO 14 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1wh4 h PRO 14 CO 0.55 0.00 -0.19 0.66 -0.23 0.00 0.00 178.00 178.79 1wh4 h SER 15 N 0.00 0.00 -3.29 1.44 4.64 -1.95 0.56 113.55 114.96 1wh4 h SER 15 Ca 0.00 -0.06 -0.53 0.00 -0.47 0.00 0.00 61.79 60.74 1wh4 h SER 15 Cb 0.09 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 62.24 1wh4 h SER 15 CO 0.00 0.03 0.79 -0.89 -0.87 0.00 0.00 176.83 175.89 1wh4 s THR 16 N -3.14 2.60 0.59 2.95 2.01 -0.56 -4.77 115.64 115.33 1wh4 s THR 16 Ca 0.09 0.49 -0.17 0.00 0.31 0.00 0.00 61.69 62.40 1wh4 s THR 16 Cb 0.12 -3.31 -0.03 0.00 0.01 0.00 0.00 72.50 69.28 1wh4 s THR 16 CO 0.64 0.07 1.12 -0.31 -0.69 0.00 0.00 174.62 175.45 1wh4 s TYR 17 N 0.18 2.66 0.16 4.92 1.51 -1.26 -0.12 117.35 125.40 1wh4 s TYR 17 Ca 0.61 1.55 -0.15 0.00 -1.01 0.00 0.00 57.07 58.07 1wh4 s TYR 17 Cb -0.43 -3.23 0.05 0.00 -0.11 0.00 0.00 41.96 38.24 1wh4 s TYR 17 CO 0.42 -1.60 1.82 0.82 -1.11 0.00 0.00 175.55 175.89 1wh4 h ILE 18 N 0.68 1.09 -0.08 2.71 1.08 -1.66 -2.11 117.51 119.22 1wh4 h ILE 18 Ca -0.49 -0.20 0.02 0.00 -0.39 0.00 0.00 64.86 63.81 1wh4 h ILE 18 Cb 1.25 0.45 -0.00 0.00 -3.07 0.00 0.00 36.82 35.45 1wh4 h ILE 18 CO 0.56 0.11 0.08 0.08 -0.69 0.00 0.00 178.15 178.28 1wh4 h ARG 19 N 0.59 0.00 -0.00 2.37 -0.00 -1.77 -1.44 114.38 114.13 1wh4 h ARG 19 Ca 0.17 0.00 -0.08 0.00 -0.00 0.00 0.00 59.98 60.07 1wh4 h ARG 19 Cb -0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 29.92 1wh4 h ARG 19 CO -0.05 0.00 -0.38 -0.97 -0.00 0.00 0.00 179.97 178.56 1wh4 h ASN 20 N 0.00 0.00 -4.06 0.08 -0.73 -1.74 -3.46 115.58 105.67 1wh4 h ASN 20 Ca 0.04 -0.00 -0.54 0.00 1.87 0.00 0.00 56.30 57.67 1wh4 h ASN 20 Cb 0.19 -0.00 0.13 0.00 0.27 0.00 0.00 38.32 38.91 1wh4 h ASN 20 CO -0.00 0.38 0.56 -0.76 -0.37 0.00 0.00 177.43 177.25 1wh4 s LEU 21 N -8.17 3.79 0.54 0.34 1.43 -0.54 -4.94 118.68 111.13 1wh4 s LEU 21 Ca -0.03 2.65 -0.18 0.00 -1.03 0.00 0.00 54.13 55.54 1wh4 s LEU 21 Cb 0.14 -4.37 -0.06 0.00 0.03 0.00 0.00 46.19 41.93 1wh4 s LEU 21 CO 0.73 -1.59 1.06 0.20 0.23 0.00 0.00 176.35 176.98 1wh4 s ASN 22 N -1.15 6.00 0.43 2.29 0.02 -1.26 -4.85 114.94 116.42 1wh4 s ASN 22 Ca 0.73 1.93 0.22 0.00 -1.02 0.00 0.00 52.86 54.72 1wh4 s ASN 22 Cb -0.38 -2.55 1.20 0.00 0.02 0.00 0.00 41.25 39.54 1wh4 s ASN 22 CO 0.43 -1.02 1.80 1.62 0.02 0.00 0.00 177.10 179.95 1wh4 h VAL 23 N 1.04 0.53 0.17 1.60 3.04 -1.97 -0.13 116.25 120.53 1wh4 h VAL 23 Ca -0.49 -0.10 -0.01 0.00 -1.01 0.00 0.00 66.70 65.09 1wh4 h VAL 23 Cb 1.23 0.20 0.00 0.00 -2.01 0.00 0.00 31.29 30.71 1wh4 h VAL 23 CO 0.58 0.06 -0.08 1.23 -1.01 0.00 0.00 177.57 178.34 1wh4 h GLY 24 N 0.30 -0.24 1.03 3.17 0.00 -2.00 -2.01 103.07 103.33 1wh4 h GLY 24 Ca 0.56 0.09 0.04 0.00 0.00 0.00 0.00 47.33 48.02 1wh4 h GLY 24 CO -0.21 -0.09 0.55 -2.22 0.00 0.00 0.00 176.54 174.57 1wh4 h ILE 25 N -0.44 1.12 -0.33 2.60 1.08 -1.50 -0.93 117.51 119.11 1wh4 h ILE 25 Ca -0.02 -0.35 0.04 0.00 -0.39 0.00 0.00 64.86 64.14 1wh4 h ILE 25 Cb 0.34 0.02 -0.04 0.00 -3.07 0.00 0.00 36.82 34.07 1wh4 h ILE 25 CO 0.04 0.18 0.11 -0.07 -0.69 0.00 0.00 178.15 177.72 1wh4 h LEU 26 N 1.01 0.11 -1.00 1.44 3.38 -0.93 0.64 115.31 119.95 1wh4 h LEU 26 Ca 0.34 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.31 1wh4 h LEU 26 Cb 0.07 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 1wh4 h LEU 26 CO -0.10 0.10 0.32 0.03 0.09 0.00 0.00 178.44 178.87 1wh4 h ARG 27 N 0.25 1.03 -0.31 1.13 2.47 -0.52 -1.17 114.38 117.25 1wh4 h ARG 27 Ca 0.15 -0.16 -0.00 0.00 -1.26 0.00 0.00 59.98 58.71 1wh4 h ARG 27 Cb 0.13 -0.18 -0.02 0.00 -1.65 0.00 0.00 29.97 28.25 1wh4 h ARG 27 CO -0.16 0.81 0.19 0.87 0.56 0.00 0.00 179.97 182.24 1wh4 h LYS 28 N 1.02 0.43 0.35 0.04 1.57 -0.56 -1.53 116.57 117.89 1wh4 h LYS 28 Ca 0.24 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1wh4 h LYS 28 Cb 0.14 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 1wh4 h LYS 28 CO -0.03 0.33 -0.33 -0.07 -0.57 0.00 0.00 179.45 178.79 1wh4 h LEU 29 N 0.40 -0.88 -2.31 2.94 -0.00 -0.53 -2.65 115.31 112.28 1wh4 h LEU 29 Ca 0.11 0.07 -0.00 0.00 -0.00 0.00 0.00 57.88 58.06 1wh4 h LEU 29 Cb 0.02 0.29 -0.00 0.00 -0.00 0.00 0.00 40.66 40.97 1wh4 h LEU 29 CO -0.02 -0.47 -0.02 0.77 -0.00 0.00 0.00 178.44 178.70 1wh4 h SER 30 N -0.70 0.00 -0.10 -0.43 4.64 -1.10 0.98 113.55 116.84 1wh4 h SER 30 Ca -0.02 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.30 1wh4 h SER 30 Cb 0.62 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.71 1wh4 h SER 30 CO -0.05 0.02 0.07 0.44 -0.87 0.00 0.00 176.83 176.44 1wh4 h ASP 31 N 0.00 0.09 0.00 4.97 3.32 -0.90 -2.16 116.42 121.75 1wh4 h ASP 31 Ca -0.00 -0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.95 1wh4 h ASP 31 Cb 0.04 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 1wh4 h ASP 31 CO 0.00 0.07 -1.83 0.49 -1.72 0.00 0.00 179.24 176.26 1wh4 n PHE 32 N -4.52 0.00 -0.08 4.55 3.72 -0.02 -4.52 117.46 116.58 1wh4 n PHE 32 Ca -0.01 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.33 1wh4 n PHE 32 Cb 0.10 -0.50 -0.16 0.00 -0.94 0.00 0.00 39.48 37.98 1wh4 n PHE 32 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 1wh4 n ILE 33 N -2.24 1.13 0.06 4.37 2.08 0.13 -4.33 119.36 120.57 1wh4 n ILE 33 Ca -0.11 -0.79 -0.10 0.00 0.56 0.00 0.00 62.75 62.31 1wh4 n ILE 33 Cb 0.63 -0.39 0.00 0.00 -0.75 0.00 0.00 39.64 39.13 1wh4 n ILE 33 CO 0.00 0.00 0.00 -0.78 0.56 0.00 0.00 176.55 176.33 1wh4 h ASP 34 N 0.00 0.45 -4.04 4.38 1.82 -1.60 -1.60 116.42 115.83 1wh4 h ASP 34 Ca -0.44 -0.32 -0.53 0.00 -0.39 0.00 0.00 57.03 55.36 1wh4 h ASP 34 Cb 2.00 -0.13 0.20 0.00 0.68 0.00 0.00 39.33 42.08 1wh4 h ASP 34 CO 0.03 1.08 0.05 -2.65 -1.61 0.00 0.00 179.24 176.14 1wh4 n PRO 35 N -3.78 -0.32 -1.75 0.28 -0.02 -1.26 -4.22 135.00 123.93 1wh4 n PRO 35 Ca -0.05 -0.03 -0.18 0.00 -2.02 0.00 0.00 63.50 61.22 1wh4 n PRO 35 Cb 0.76 -2.26 -0.06 0.00 -0.02 0.00 0.00 33.50 31.92 1wh4 n PRO 35 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1wh4 n GLN 36 N -3.47 -1.51 -2.73 -0.52 6.02 -1.26 -2.74 117.38 111.16 1wh4 n GLN 36 Ca 0.11 1.04 -0.17 0.00 -0.01 0.00 0.00 57.00 57.97 1wh4 n GLN 36 Cb 0.52 -5.46 -0.00 0.00 1.02 0.00 0.00 30.24 26.32 1wh4 n GLN 36 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1wh4 n GLU 37 N -2.40 -2.77 -0.35 -1.09 1.02 -1.26 -4.88 120.64 108.91 1wh4 n GLU 37 Ca -0.19 0.62 0.03 0.00 -0.02 0.00 0.00 57.16 57.60 1wh4 n GLU 37 Cb 0.62 -5.28 0.17 0.00 -0.02 0.00 0.00 31.44 26.93 1wh4 n GLU 37 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1wh4 h GLY 38 N -0.39 1.46 0.58 0.62 0.00 -1.11 -1.18 103.07 103.04 1wh4 h GLY 38 Ca -0.36 -0.44 0.04 0.00 0.00 0.00 0.00 47.33 46.57 1wh4 h GLY 38 CO 0.43 0.28 -0.10 0.11 0.00 0.00 0.00 176.54 177.26 1wh4 h TRP 39 N 1.08 -0.24 -0.53 5.60 5.08 -1.72 0.12 115.95 125.34 1wh4 h TRP 39 Ca 0.42 0.02 0.03 0.00 1.08 0.00 0.00 58.89 60.44 1wh4 h TRP 39 Cb 0.22 0.13 -0.04 0.00 -3.00 0.00 0.00 29.16 26.47 1wh4 h TRP 39 CO -0.01 -0.15 0.30 0.87 -1.28 0.00 0.00 178.44 178.16 1wh4 h LYS 40 N -0.11 0.57 -0.53 0.12 1.57 -1.71 0.38 116.57 116.86 1wh4 h LYS 40 Ca 0.08 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.75 1wh4 h LYS 40 Cb 0.23 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 1wh4 h LYS 40 CO -0.20 0.38 0.01 0.87 -0.57 0.00 0.00 179.45 179.94 1wh4 h LYS 41 N 0.59 0.89 0.26 3.15 1.57 -0.52 0.19 116.57 122.71 1wh4 h LYS 41 Ca 0.22 -0.25 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1wh4 h LYS 41 Cb 0.07 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.28 1wh4 h LYS 41 CO -0.12 0.88 -0.13 1.25 -0.57 0.00 0.00 179.45 180.77 1wh4 h LEU 42 N 0.83 -0.30 -0.33 2.94 7.12 -0.48 -1.92 115.31 123.18 1wh4 h LEU 42 Ca 0.16 -0.21 0.07 0.00 0.13 0.00 0.00 57.88 58.03 1wh4 h LEU 42 Cb 0.48 0.08 -0.07 0.00 -0.53 0.00 0.00 40.66 40.62 1wh4 h LEU 42 CO 0.02 0.08 -0.16 0.00 -0.13 0.00 0.00 178.44 178.25 1wh4 h ALA 43 N -0.12 0.10 0.00 1.25 0.00 -0.62 -0.36 119.26 119.51 1wh4 h ALA 43 Ca -0.04 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1wh4 h ALA 43 Cb 0.49 0.38 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 1wh4 h ALA 43 CO 0.06 -0.54 -0.14 -0.24 0.00 0.00 0.00 179.25 178.38 1wh4 h VAL 44 N -0.11 0.32 0.02 0.00 3.04 -1.04 -2.87 116.25 115.61 1wh4 h VAL 44 Ca 0.17 -1.03 -0.25 0.00 -1.01 0.00 0.00 66.70 64.58 1wh4 h VAL 44 Cb 0.36 1.80 0.01 0.00 -2.01 0.00 0.00 31.29 31.45 1wh4 h VAL 44 CO -0.39 0.14 -1.02 0.00 -1.01 0.00 0.00 177.57 175.29 1wh4 h ALA 45 N 1.86 0.25 -1.74 3.17 0.00 -0.48 -3.43 119.26 118.88 1wh4 h ALA 45 Ca -0.00 -0.72 -0.54 0.00 0.00 0.00 0.00 54.91 53.65 1wh4 h ALA 45 Cb 0.79 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1wh4 h ALA 45 CO 0.02 0.78 1.41 0.42 0.00 0.00 0.00 179.25 181.87 1wh4 s ILE 46 N -3.23 3.27 0.37 0.00 1.01 -0.23 -4.98 121.20 117.42 1wh4 s ILE 46 Ca -0.07 0.23 -0.02 0.00 0.00 0.00 0.00 60.65 60.80 1wh4 s ILE 46 Cb 0.08 -3.48 -0.04 0.00 0.01 0.00 0.00 42.46 39.03 1wh4 s ILE 46 CO 0.89 -0.39 0.61 -0.54 0.00 0.00 0.00 174.94 175.51 1wh4 s LYS 47 N 6.66 3.52 1.07 2.79 -0.14 -1.26 -2.05 119.74 130.33 1wh4 s LYS 47 Ca 0.84 -0.15 -0.12 0.00 -1.36 0.00 0.00 55.97 55.17 1wh4 s LYS 47 Cb -0.21 -2.59 0.23 0.00 -1.68 0.00 0.00 37.83 33.59 1wh4 s LYS 47 CO 0.29 0.07 1.06 0.15 -0.76 0.00 0.00 175.35 176.16 1wh4 s LYS 48 N -4.33 -0.16 0.64 1.68 -0.14 0.11 -4.61 119.74 112.93 1wh4 s LYS 48 Ca 0.42 0.91 0.42 0.00 -1.36 0.00 0.00 55.97 56.36 1wh4 s LYS 48 Cb -0.10 -1.64 2.18 0.00 -1.68 0.00 0.00 37.83 36.59 1wh4 s LYS 48 CO 0.38 -3.24 2.29 -1.35 -0.76 0.00 0.00 175.35 172.66 1wh4 h PRO 49 N -2.27 0.00 0.00 -1.68 0.11 -1.99 -0.92 132.00 125.24 1wh4 h PRO 49 Ca -0.56 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.55 1wh4 h PRO 49 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1wh4 h PRO 49 CO 0.50 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 178.73 1wh4 n SER 50 N -3.13 0.00 0.00 -2.05 7.64 -1.26 -4.92 113.62 109.90 1wh4 n SER 50 Ca -0.02 -0.09 0.00 0.00 1.01 0.00 0.00 58.87 59.77 1wh4 n SER 50 Cb 0.12 -0.30 0.00 0.00 -1.01 0.00 0.00 64.21 63.03 1wh4 n SER 50 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wh4 n GLY 51 N 1.20 2.32 3.56 0.23 0.00 -0.35 -5.04 105.19 107.10 1wh4 n GLY 51 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 1wh4 n GLY 51 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wh4 s ASP 52 N -3.62 1.66 -0.07 1.61 1.01 -1.26 -4.60 116.67 111.39 1wh4 s ASP 52 Ca 0.00 1.50 -0.30 0.00 0.71 0.00 0.00 52.55 54.46 1wh4 s ASP 52 Cb 0.00 -2.22 -0.03 0.00 1.01 0.00 0.00 42.92 41.68 1wh4 s ASP 52 CO 0.00 -3.78 1.23 -1.81 0.21 0.00 0.00 175.17 171.02 1wh4 s ASP 53 N -2.81 7.01 0.23 0.27 1.01 -1.26 0.09 116.67 121.21 1wh4 s ASP 53 Ca 0.67 1.81 -0.06 0.00 0.71 0.00 0.00 52.55 55.69 1wh4 s ASP 53 Cb -0.23 -2.55 0.22 0.00 1.01 0.00 0.00 42.92 41.37 1wh4 s ASP 53 CO 0.62 -0.63 1.79 0.03 0.21 0.00 0.00 175.17 177.19 1wh4 h ARG 54 N 7.65 1.10 -2.79 8.23 3.08 -1.67 -3.39 114.38 126.60 1wh4 h ARG 54 Ca -0.33 -0.21 -0.61 0.00 0.07 0.00 0.00 59.98 58.90 1wh4 h ARG 54 Cb 1.15 -0.17 -0.40 0.00 0.08 0.00 0.00 29.97 30.62 1wh4 h ARG 54 CO 0.90 0.91 -0.74 0.71 -1.07 0.00 0.00 179.97 180.69 1wh4 s TYR 55 N -5.45 2.57 1.30 3.04 2.02 -1.26 -5.01 117.35 114.57 1wh4 s TYR 55 Ca -0.12 -2.93 -0.20 0.00 -0.37 0.00 0.00 57.07 53.45 1wh4 s TYR 55 Cb 0.16 -1.98 0.32 0.00 -0.40 0.00 0.00 41.96 40.06 1wh4 s TYR 55 CO 0.83 -0.66 1.02 1.21 -1.57 0.00 0.00 175.55 176.38 1wh4 s ASN 56 N -0.86 -0.00 0.52 2.29 3.84 -1.26 -4.46 114.94 115.02 1wh4 s ASN 56 Ca 0.28 0.81 0.25 0.00 0.21 0.00 0.00 52.86 54.41 1wh4 s ASN 56 Cb -0.01 -1.15 1.37 0.00 -0.55 0.00 0.00 41.25 40.91 1wh4 s ASN 56 CO -0.18 -4.71 1.98 1.56 -2.79 0.00 0.00 177.10 172.96 1wh4 h GLN 57 N -2.98 0.04 -0.39 0.43 4.20 -1.98 -0.33 115.11 114.11 1wh4 h GLN 57 Ca -0.46 -0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.26 1wh4 h GLN 57 Cb 1.32 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 29.07 1wh4 h GLN 57 CO 0.33 0.03 0.26 0.35 -0.67 0.00 0.00 178.83 179.13 1wh4 h PHE 58 N 0.05 0.46 0.10 2.96 3.57 -2.01 -0.38 116.94 121.70 1wh4 h PHE 58 Ca 0.28 0.01 -0.22 0.00 3.53 0.00 0.00 57.97 61.57 1wh4 h PHE 58 Cb 1.07 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.66 1wh4 h PHE 58 CO -0.00 0.29 -1.11 0.45 -2.23 0.00 0.00 178.31 175.71 1wh4 h HIS 59 N 0.50 0.40 -0.81 0.41 3.86 -1.40 -3.34 115.15 114.76 1wh4 h HIS 59 Ca 0.15 -0.29 0.12 0.00 -1.16 0.00 0.00 60.37 59.19 1wh4 h HIS 59 Cb -0.00 -0.02 -0.09 0.00 1.06 0.00 0.00 27.41 28.37 1wh4 h HIS 59 CO -0.00 1.43 0.41 0.82 0.86 0.00 0.00 177.93 181.45 1wh4 h ILE 60 N -0.44 0.78 -0.81 2.45 1.08 -1.06 -0.40 117.51 119.12 1wh4 h ILE 60 Ca -0.23 -0.22 -0.00 0.00 -0.39 0.00 0.00 64.86 64.01 1wh4 h ILE 60 Cb 1.62 0.09 -0.04 0.00 -3.07 0.00 0.00 36.82 35.43 1wh4 h ILE 60 CO 0.06 0.12 0.49 0.03 -0.69 0.00 0.00 178.15 178.15 1wh4 h ARG 61 N 0.64 1.09 -0.01 2.37 2.47 -1.24 0.20 114.38 119.90 1wh4 h ARG 61 Ca 0.42 -0.09 0.01 0.00 -1.26 0.00 0.00 59.98 59.06 1wh4 h ARG 61 Cb 0.53 -0.23 -0.01 0.00 -1.65 0.00 0.00 29.97 28.61 1wh4 h ARG 61 CO -0.32 0.76 -0.03 -0.09 0.56 0.00 0.00 179.97 180.85 1wh4 h ARG 62 N 1.11 -0.04 -0.79 0.04 1.12 -1.23 -1.70 114.38 112.89 1wh4 h ARG 62 Ca 0.29 0.00 -0.02 0.00 -1.11 0.00 0.00 59.98 59.14 1wh4 h ARG 62 Cb -0.05 0.01 -0.04 0.00 -0.01 0.00 0.00 29.97 29.88 1wh4 h ARG 62 CO -0.06 -0.03 0.39 0.74 -3.11 0.00 0.00 179.97 177.91 1wh4 h PHE 63 N -0.05 1.11 -0.37 2.20 0.04 -0.35 -1.67 116.94 117.85 1wh4 h PHE 63 Ca 0.02 -0.04 0.06 0.00 2.80 0.00 0.00 57.97 60.81 1wh4 h PHE 63 Cb 0.07 -0.35 -0.06 0.00 2.20 0.00 0.00 35.95 37.81 1wh4 h PHE 63 CO -0.11 0.79 0.02 0.93 -0.60 0.00 0.00 178.31 179.34 1wh4 h GLU 64 N 1.11 0.12 0.00 1.51 5.08 -0.45 -1.80 114.58 120.15 1wh4 h GLU 64 Ca 0.27 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1wh4 h GLU 64 Cb 0.08 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1wh4 h GLU 64 CO -0.04 0.08 0.00 0.00 -1.00 0.00 0.00 179.01 178.05 1wh4 n ALA 65 N -2.49 1.16 0.05 3.43 0.00 -0.65 -0.96 120.51 121.04 1wh4 n ALA 65 Ca 0.02 0.14 -0.04 0.00 0.00 0.00 0.00 53.44 53.56 1wh4 n ALA 65 Cb 0.19 -1.27 -0.02 0.00 0.00 0.00 0.00 19.45 18.34 1wh4 n ALA 65 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1wh4 h LEU 66 N 0.00 -0.19 -1.30 0.00 3.38 -1.13 -3.39 115.31 112.68 1wh4 h LEU 66 Ca 0.00 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 1wh4 h LEU 66 Cb 0.07 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1wh4 h LEU 66 CO 0.00 0.30 0.00 0.17 0.09 0.00 0.00 178.44 179.00 1wh4 h LEU 67 N -1.05 0.44 -2.64 1.67 8.10 -0.84 -1.31 115.31 119.68 1wh4 h LEU 67 Ca -0.02 -0.08 0.00 0.00 0.11 0.00 0.00 57.88 57.89 1wh4 h LEU 67 Cb 0.22 -0.11 0.00 0.00 -0.44 0.00 0.00 40.66 40.33 1wh4 h LEU 67 CO 0.04 0.51 0.00 1.56 -4.11 0.00 0.00 178.44 176.44 1wh4 h GLN 68 N 0.46 0.00 0.00 0.17 1.08 -1.24 -2.59 115.11 112.99 1wh4 h GLN 68 Ca 0.10 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.30 1wh4 h GLN 68 Cb 0.30 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.73 1wh4 h GLN 68 CO 0.01 0.00 0.00 -2.37 -0.95 0.00 0.00 178.83 175.52 1wh4 n THR 69 N -2.89 0.00 0.00 -0.54 5.66 -0.79 -5.05 114.28 110.67 1wh4 n THR 69 Ca -0.03 -0.36 0.00 0.00 -3.05 0.00 0.00 64.05 60.62 1wh4 n THR 69 Cb 0.06 1.20 0.00 0.00 -1.55 0.00 0.00 70.33 70.04 1wh4 n THR 69 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1wh4 n GLY 70 N 0.22 1.09 3.74 1.09 0.00 -0.59 -5.10 105.19 105.64 1wh4 n GLY 70 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1wh4 n GLY 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wh4 s LYS 71 N -0.09 4.33 0.08 1.61 1.02 -0.62 -4.98 119.74 121.09 1wh4 s LYS 71 Ca 0.00 0.64 -0.31 0.00 0.02 0.00 0.00 55.97 56.32 1wh4 s LYS 71 Cb 0.00 -3.39 -0.08 0.00 -0.52 0.00 0.00 37.83 33.84 1wh4 s LYS 71 CO 0.00 0.24 1.54 0.45 -0.92 0.00 0.00 175.35 176.66 1wh4 s SER 72 N 0.28 6.69 0.35 2.83 0.15 -1.26 -2.30 113.70 120.44 1wh4 s SER 72 Ca 0.30 2.40 0.12 0.00 0.70 0.00 0.00 55.95 59.47 1wh4 s SER 72 Cb -0.17 -2.57 0.65 0.00 -1.71 0.00 0.00 66.02 62.22 1wh4 s SER 72 CO 0.15 -0.80 1.79 1.55 1.20 0.00 0.00 173.24 177.12 1wh4 h PRO 73 N 7.73 0.00 -0.33 5.44 0.13 -1.91 -2.94 132.00 140.12 1wh4 h PRO 73 Ca -0.41 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.79 1wh4 h PRO 73 Cb 1.20 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.24 1wh4 h PRO 73 CO 0.91 0.42 -0.32 1.15 -0.23 0.00 0.00 178.00 179.93 1wh4 h THR 74 N 0.00 0.26 0.03 1.56 2.02 -1.92 -0.34 112.91 114.52 1wh4 h THR 74 Ca -0.00 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.17 1wh4 h THR 74 Cb 0.74 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 67.41 1wh4 h THR 74 CO 0.05 0.00 -0.01 0.00 0.37 0.00 0.00 175.52 175.93 1wh4 h GLU 76 N -0.40 0.60 0.41 0.00 4.39 -1.50 -0.82 114.58 117.25 1wh4 h GLU 76 Ca -0.00 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.64 1wh4 h GLU 76 Cb 0.37 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 1wh4 h GLU 76 CO 0.01 0.39 -0.20 1.25 -1.16 0.00 0.00 179.01 179.30 1wh4 h LEU 77 N 0.61 -0.46 -0.93 1.33 5.85 -0.87 -0.38 115.31 120.45 1wh4 h LEU 77 Ca 0.25 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.99 1wh4 h LEU 77 Cb 0.12 0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.22 1wh4 h LEU 77 CO -0.15 -0.32 0.61 -0.07 -0.34 0.00 0.00 178.44 178.18 1wh4 h LEU 78 N -0.57 1.05 -0.29 2.25 3.38 -0.80 -0.25 115.31 120.08 1wh4 h LEU 78 Ca -0.06 -0.02 -0.14 0.00 0.09 0.00 0.00 57.88 57.75 1wh4 h LEU 78 Cb 0.43 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 1wh4 h LEU 78 CO 0.09 0.75 -0.36 -0.26 0.09 0.00 0.00 178.44 178.75 1wh4 h PHE 79 N 1.24 0.93 0.51 1.13 0.04 -1.02 -0.01 116.94 119.75 1wh4 h PHE 79 Ca 0.35 -0.29 -0.02 0.00 2.80 0.00 0.00 57.97 60.80 1wh4 h PHE 79 Cb -0.10 -0.19 0.00 0.00 2.20 0.00 0.00 35.95 37.86 1wh4 h PHE 79 CO -0.01 1.07 -0.27 0.22 -0.60 0.00 0.00 178.31 178.73 1wh4 h ASP 80 N 0.52 -0.64 -0.04 2.17 1.82 -0.82 -2.87 116.42 116.56 1wh4 h ASP 80 Ca 0.04 0.03 -0.01 0.00 -0.39 0.00 0.00 57.03 56.70 1wh4 h ASP 80 Cb 0.94 0.17 -0.00 0.00 0.68 0.00 0.00 39.33 41.12 1wh4 h ASP 80 CO 0.09 -0.44 0.01 -0.25 -1.61 0.00 0.00 179.24 177.03 1wh4 h TRP 81 N -0.72 0.10 -0.45 0.28 7.01 -1.07 0.76 115.95 121.86 1wh4 h TRP 81 Ca -0.07 -0.00 0.05 0.00 2.11 0.00 0.00 58.89 60.98 1wh4 h TRP 81 Cb 0.56 -0.03 -0.02 0.00 -2.10 0.00 0.00 29.16 27.56 1wh4 h TRP 81 CO -0.06 0.11 0.30 0.78 -2.79 0.00 0.00 178.44 176.78 1wh4 h GLY 82 N 0.23 0.50 0.70 2.65 0.00 -0.78 -2.48 103.07 103.90 1wh4 h GLY 82 Ca 0.03 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.19 1wh4 h GLY 82 CO 0.00 0.14 -1.27 -0.37 0.00 0.00 0.00 176.54 175.04 1wh4 n THR 83 N -4.48 0.42 0.27 4.70 5.66 0.18 -3.26 114.28 117.77 1wh4 n THR 83 Ca 0.05 -0.51 0.13 0.00 -3.05 0.00 0.00 64.05 60.67 1wh4 n THR 83 Cb 0.21 -0.21 0.78 0.00 -1.55 0.00 0.00 70.33 69.56 1wh4 n THR 83 CO 0.00 0.00 0.00 0.74 -3.05 0.00 0.00 175.07 172.76 1wh4 h THR 84 N 0.00 0.57 -0.29 1.09 2.02 -0.90 -3.47 112.91 111.93 1wh4 h THR 84 Ca 0.00 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 66.82 1wh4 h THR 84 Cb 0.98 1.23 0.00 0.00 -1.74 0.00 0.00 68.15 68.62 1wh4 h THR 84 CO 0.00 0.08 0.00 0.59 0.37 0.00 0.00 175.52 176.56 1wh4 n ASN 85 N -3.73 -0.19 -4.35 4.18 3.02 -1.00 -5.10 115.26 108.09 1wh4 n ASN 85 Ca -0.02 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.33 1wh4 n ASN 85 Cb 0.19 -0.10 -0.10 0.00 -0.61 0.00 0.00 39.78 39.16 1wh4 n ASN 85 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wh4 s THR 87 N -3.50 0.92 0.23 0.00 -4.23 -1.26 -1.96 115.64 105.83 1wh4 s THR 87 Ca 0.36 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.80 1wh4 s THR 87 Cb 0.08 -2.65 0.20 0.00 1.34 0.00 0.00 72.50 71.47 1wh4 s THR 87 CO 0.15 0.00 1.86 0.58 -0.54 0.00 0.00 174.62 176.67 1wh4 h VAL 88 N 2.08 1.25 -0.42 2.29 2.07 -0.55 -0.16 116.25 122.81 1wh4 h VAL 88 Ca -0.39 -0.60 -0.02 0.00 0.82 0.00 0.00 66.70 66.52 1wh4 h VAL 88 Cb 1.25 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 1wh4 h VAL 88 CO 0.65 0.28 0.19 1.23 0.02 0.00 0.00 177.57 179.93 1wh4 h GLY 89 N 1.23 0.66 0.50 2.17 0.00 -1.12 0.20 103.07 106.71 1wh4 h GLY 89 Ca 0.31 -0.34 0.05 0.00 0.00 0.00 0.00 47.33 47.36 1wh4 h GLY 89 CO -0.05 0.32 -0.03 -0.55 0.00 0.00 0.00 176.54 176.23 1wh4 h ASP 90 N 0.53 -0.18 0.95 0.19 5.19 -1.61 -0.64 116.42 120.86 1wh4 h ASP 90 Ca 0.14 0.07 -0.05 0.00 -0.62 0.00 0.00 57.03 56.58 1wh4 h ASP 90 Cb 0.15 0.14 0.01 0.00 0.18 0.00 0.00 39.33 39.81 1wh4 h ASP 90 CO -0.02 -0.05 -0.47 0.25 -3.12 0.00 0.00 179.24 175.83 1wh4 h LEU 91 N 0.05 -1.13 -0.80 1.55 5.85 -0.77 -2.55 115.31 117.52 1wh4 h LEU 91 Ca 0.14 0.04 0.18 0.00 0.84 0.00 0.00 57.88 59.08 1wh4 h LEU 91 Cb 0.19 0.30 -0.14 0.00 0.37 0.00 0.00 40.66 41.38 1wh4 h LEU 91 CO -0.26 -0.79 -0.03 0.58 -0.34 0.00 0.00 178.44 177.60 1wh4 h VAL 92 N -1.30 0.27 -0.04 1.05 2.07 -0.82 0.97 116.25 118.44 1wh4 h VAL 92 Ca -0.13 -0.02 0.03 0.00 0.82 0.00 0.00 66.70 67.40 1wh4 h VAL 92 Cb 1.00 0.19 -0.04 0.00 -1.52 0.00 0.00 31.29 30.92 1wh4 h VAL 92 CO 0.20 0.01 -0.19 -0.78 0.02 0.00 0.00 177.57 176.83 1wh4 h ASP 93 N 0.07 -0.57 -0.45 0.57 1.82 -0.88 -0.04 116.42 116.94 1wh4 h ASP 93 Ca 0.43 0.09 -0.14 0.00 -0.39 0.00 0.00 57.03 57.02 1wh4 h ASP 93 Cb 0.77 0.25 -0.01 0.00 0.68 0.00 0.00 39.33 41.01 1wh4 h ASP 93 CO -0.73 -0.25 -0.25 -0.07 -1.61 0.00 0.00 179.24 176.33 1wh4 h LEU 94 N -0.29 1.01 -0.24 2.28 3.38 -1.00 -2.64 115.31 117.82 1wh4 h LEU 94 Ca 0.07 -0.40 0.02 0.00 0.09 0.00 0.00 57.88 57.66 1wh4 h LEU 94 Cb 0.39 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1wh4 h LEU 94 CO -0.21 1.20 0.10 -0.07 0.09 0.00 0.00 178.44 179.55 1wh4 h LEU 95 N 0.84 0.14 -1.29 1.67 3.38 -0.08 -1.11 115.31 118.85 1wh4 h LEU 95 Ca 0.10 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.11 1wh4 h LEU 95 Cb 0.83 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.53 1wh4 h LEU 95 CO 0.07 0.11 0.49 0.58 0.09 0.00 0.00 178.44 179.78 1wh4 h VAL 96 N 0.22 1.15 0.00 1.22 2.07 -0.99 0.10 116.25 120.02 1wh4 h VAL 96 Ca 0.10 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.29 1wh4 h VAL 96 Cb 0.04 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 29.93 1wh4 h VAL 96 CO -0.08 0.17 0.00 0.00 0.02 0.00 0.00 177.57 177.68 1wh4 n GLN 97 N -4.44 0.05 -0.03 1.57 10.64 -0.47 -1.49 117.38 123.20 1wh4 n GLN 97 Ca 0.09 0.33 0.01 0.00 -1.83 0.00 0.00 57.00 55.60 1wh4 n GLN 97 Cb 0.08 -1.60 0.03 0.00 -0.86 0.00 0.00 30.24 27.90 1wh4 n GLN 97 CO 0.00 0.00 0.00 0.44 -1.83 0.00 0.00 177.06 175.67 1wh4 n ILE 98 N -1.68 0.99 -1.01 -0.39 -5.35 -0.75 -5.00 119.36 106.17 1wh4 n ILE 98 Ca 0.03 -0.99 -0.00 0.00 -0.27 0.00 0.00 62.75 61.51 1wh4 n ILE 98 Cb 0.16 0.51 -0.00 0.00 -1.74 0.00 0.00 39.64 38.56 1wh4 n ILE 98 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 1wh4 n GLU 99 N -0.29 -0.06 -1.73 6.28 2.13 -0.55 -4.95 120.64 121.47 1wh4 n GLU 99 Ca 0.02 0.19 -0.40 0.00 0.66 0.00 0.00 57.16 57.63 1wh4 n GLU 99 Cb 0.28 -3.39 -0.01 0.00 0.27 0.00 0.00 31.44 28.58 1wh4 n GLU 99 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1wh4 n LEU 100 N -0.03 8.20 -0.25 4.31 7.99 0.29 -4.68 117.00 132.84 1wh4 n LEU 100 Ca -0.00 -4.63 -0.07 0.00 -0.01 0.00 0.00 56.01 51.29 1wh4 n LEU 100 Cb 0.02 -1.46 0.06 0.00 -0.11 0.00 0.00 43.42 41.92 1wh4 n LEU 100 CO 0.00 1.98 0.94 -0.26 -1.51 0.00 0.00 177.39 178.55 1wh4 h PHE 101 N 4.90 1.18 0.01 -1.77 0.04 -1.91 -2.77 116.94 116.62 1wh4 h PHE 101 Ca 0.75 -0.14 0.03 0.00 2.80 0.00 0.00 57.97 61.41 1wh4 h PHE 101 Cb 0.33 -0.33 -0.05 0.00 2.20 0.00 0.00 35.95 38.10 1wh4 h PHE 101 CO 1.69 0.96 -0.38 0.00 -0.60 0.00 0.00 178.31 179.98 1wh4 h ALA 102 N 1.10 -0.60 -0.22 2.45 0.00 -1.97 0.14 119.26 120.17 1wh4 h ALA 102 Ca 0.22 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.97 1wh4 h ALA 102 Cb 0.38 0.67 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1wh4 h ALA 102 CO 0.00 -0.91 -0.37 -1.00 0.00 0.00 0.00 179.25 176.97 1wh4 h PRO 103 N -0.54 0.49 -0.57 0.00 0.13 -1.93 -2.31 132.00 127.27 1wh4 h PRO 103 Ca 0.05 -0.23 0.07 0.00 -0.87 0.00 0.00 66.00 65.02 1wh4 h PRO 103 Cb 0.62 -0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.69 1wh4 h PRO 103 CO -0.29 0.79 0.26 0.00 -0.23 0.00 0.00 178.00 178.52 1wh4 h ALA 104 N 1.19 0.73 -0.20 -0.56 0.00 -1.16 -2.32 119.26 116.94 1wh4 h ALA 104 Ca 0.04 0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 1wh4 h ALA 104 Cb 0.84 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1wh4 h ALA 104 CO 0.07 -0.12 -0.43 1.15 0.00 0.00 0.00 179.25 179.91 1wh4 h THR 105 N 0.48 1.31 -0.76 0.00 2.02 -0.57 0.61 112.91 116.00 1wh4 h THR 105 Ca 0.27 -1.61 -0.00 0.00 0.77 0.00 0.00 66.41 65.83 1wh4 h THR 105 Cb 0.24 1.63 -0.04 0.00 -1.74 0.00 0.00 68.15 68.24 1wh4 h THR 105 CO -0.22 0.50 0.47 0.25 0.37 0.00 0.00 175.52 176.88 1wh4 h LEU 106 N 0.40 0.90 0.15 2.58 5.85 -0.90 -0.91 115.31 123.39 1wh4 h LEU 106 Ca 0.03 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 1wh4 h LEU 106 Cb 0.92 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.73 1wh4 h LEU 106 CO 0.08 0.69 -0.07 -0.07 -0.34 0.00 0.00 178.44 178.73 1wh4 h LEU 107 N 1.04 -0.17 -6.49 2.25 3.38 -1.16 -3.44 115.31 110.72 1wh4 h LEU 107 Ca 0.27 -0.37 -0.41 0.00 0.09 0.00 0.00 57.88 57.46 1wh4 h LEU 107 Cb -0.05 0.04 -0.34 0.00 0.09 0.00 0.00 40.66 40.40 1wh4 h LEU 107 CO -0.05 0.36 -0.71 -0.76 0.09 0.00 0.00 178.44 177.37 1wh4 s LEU 108 N -9.08 0.12 0.42 1.67 1.43 0.18 -3.84 118.68 109.59 1wh4 s LEU 108 Ca -0.14 -1.39 0.11 0.00 -1.03 0.00 0.00 54.13 51.68 1wh4 s LEU 108 Cb 0.01 0.29 0.90 0.00 0.03 0.00 0.00 46.19 47.41 1wh4 s LEU 108 CO 0.53 -0.33 1.99 -0.65 0.23 0.00 0.00 176.35 178.11 1wh4 h PRO 109 N 7.58 0.22 -0.65 1.29 0.11 -1.34 -2.46 132.00 136.75 1wh4 h PRO 109 Ca -0.03 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.99 1wh4 h PRO 109 Cb 1.04 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.08 1wh4 h PRO 109 CO 0.28 0.29 0.20 0.22 -0.21 0.00 0.00 178.00 178.77 1wh4 h ASP 110 N 0.22 0.93 0.91 -2.05 3.58 -1.93 -3.29 116.42 114.80 1wh4 h ASP 110 Ca 0.05 -0.17 0.00 0.00 0.42 0.00 0.00 57.03 57.34 1wh4 h ASP 110 Cb 0.23 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 41.04 1wh4 h ASP 110 CO 0.01 0.88 -0.08 0.00 -2.88 0.00 0.00 179.24 177.17 1wh4 n ALA 111 N -2.45 2.52 -2.70 -0.78 0.00 -0.93 -4.69 120.51 111.48 1wh4 n ALA 111 Ca 0.05 -0.14 -0.41 0.00 0.00 0.00 0.00 53.44 52.95 1wh4 n ALA 111 Cb 0.22 -1.42 -0.04 0.00 0.00 0.00 0.00 19.45 18.21 1wh4 n ALA 111 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1wh4 s VAL 112 N -2.99 4.97 -0.59 0.00 0.11 -1.24 -4.98 120.40 115.69 1wh4 s VAL 112 Ca 0.14 1.60 -0.27 0.00 -2.93 0.00 0.00 61.98 60.53 1wh4 s VAL 112 Cb 0.19 -4.12 -0.02 0.00 -1.53 0.00 0.00 36.38 30.90 1wh4 s VAL 112 CO 0.55 0.17 1.83 -2.16 -3.33 0.00 0.00 175.10 172.16 1wh4 s PRO 113 N 1.21 2.72 0.42 1.54 0.04 -1.26 -4.67 135.00 135.00 1wh4 s PRO 113 Ca 0.40 0.65 0.00 0.00 0.04 0.00 0.00 61.00 62.10 1wh4 s PRO 113 Cb -0.18 -4.36 0.00 0.00 0.04 0.00 0.00 34.50 30.00 1wh4 s PRO 113 CO 0.18 -2.62 0.00 1.04 0.04 0.00 0.00 177.00 175.64 1wh4 n GLN 114 N 9.11 -2.63 -1.93 4.56 6.02 -1.26 -5.05 117.38 126.19 1wh4 n GLN 114 Ca 0.20 1.98 -0.00 0.00 -0.01 0.00 0.00 57.00 59.17 1wh4 n GLN 114 Cb 0.51 -3.13 0.00 0.00 1.02 0.00 0.00 30.24 28.65 1wh4 n GLN 114 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1wh4 n THR 115 N -4.01 -3.71 -4.18 5.09 -1.04 -1.26 -5.08 114.28 100.09 1wh4 n THR 115 Ca -0.04 -0.03 -0.22 0.00 -2.04 0.00 0.00 64.05 61.72 1wh4 n THR 115 Cb 0.56 -4.53 -0.05 0.00 -1.82 0.00 0.00 70.33 64.49 1wh4 n THR 115 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1wh4 s VAL 116 N -2.80 4.10 -0.02 12.58 0.11 -1.26 -5.03 120.40 128.08 1wh4 s VAL 116 Ca 0.01 -1.58 -0.29 0.00 -2.93 0.00 0.00 61.98 57.19 1wh4 s VAL 116 Cb -0.00 -3.21 0.10 0.00 -1.53 0.00 0.00 36.38 31.74 1wh4 s VAL 116 CO 0.21 -0.36 0.95 -1.59 -3.33 0.00 0.00 175.10 170.98 1wh4 s LYS 117 N -3.77 0.77 0.23 1.54 0.00 -1.26 -5.19 119.74 112.06 1wh4 s LYS 117 Ca 0.32 -0.30 -0.06 0.00 0.00 0.00 0.00 55.97 55.94 1wh4 s LYS 117 Cb -0.07 0.34 -0.02 0.00 0.00 0.00 0.00 37.83 38.08 1wh4 s LYS 117 CO 0.23 -0.34 0.30 0.45 0.00 0.00 0.00 175.35 175.99 1wh4 s SER 118 N -2.49 0.15 -0.12 0.03 0.15 -1.26 -4.92 113.70 105.24 1wh4 s SER 118 Ca 0.06 -1.23 -0.30 0.00 0.70 0.00 0.00 55.95 55.19 1wh4 s SER 118 Cb -0.01 0.49 0.12 0.00 -1.71 0.00 0.00 66.02 64.91 1wh4 s SER 118 CO -0.07 -1.00 0.99 -0.22 1.20 0.00 0.00 173.24 174.14 1wh4 s LEU 119 N -3.12 -0.35 0.14 3.45 2.96 -1.26 -5.15 118.68 115.35 1wh4 s LEU 119 Ca 0.32 0.27 -0.30 0.00 -0.22 0.00 0.00 54.13 54.20 1wh4 s LEU 119 Cb 0.03 1.86 -0.07 0.00 0.50 0.00 0.00 46.19 48.52 1wh4 s LEU 119 CO 0.12 -0.40 1.15 -2.84 -1.32 0.00 0.00 176.35 173.06 1wh4 s PRO 120 N -1.71 4.52 -1.41 0.98 0.02 -1.26 -4.98 135.00 131.15 1wh4 s PRO 120 Ca 0.01 1.77 -0.14 0.00 0.02 0.00 0.00 61.00 62.66 1wh4 s PRO 120 Cb -0.01 -3.29 -0.00 0.00 0.02 0.00 0.00 34.50 31.22 1wh4 s PRO 120 CO -0.02 -0.07 2.31 -0.35 -0.33 0.00 0.00 177.00 178.54 1wh4 n PRO 121 N 2.91 2.84 -3.48 5.54 -0.04 -1.26 -4.81 135.00 136.69 1wh4 n PRO 121 Ca 0.05 -2.44 -0.05 0.00 -0.04 0.00 0.00 63.50 61.02 1wh4 n PRO 121 Cb 0.46 -3.16 0.02 0.00 -0.04 0.00 0.00 33.50 30.78 1wh4 n PRO 121 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wh4 n SER 122 N 5.80 -1.73 -3.65 3.54 2.88 -1.26 -5.20 113.62 114.01 1wh4 n SER 122 Ca 0.56 -2.05 -0.13 0.00 -1.33 0.00 0.00 58.87 55.92 1wh4 n SER 122 Cb 0.36 2.84 -0.06 0.00 -0.75 0.00 0.00 64.21 66.60 1wh4 n SER 122 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wh4 s GLY 123 N -3.04 1.26 -0.94 0.46 0.00 -1.26 -5.08 107.32 98.72 1wh4 s GLY 123 Ca 0.17 -1.41 -0.24 0.00 0.00 0.00 0.00 44.72 43.24 1wh4 s GLY 123 CO 0.07 -1.00 1.40 2.56 0.00 0.00 0.00 173.10 176.13 1wh4 s PRO 124 N -3.57 3.47 -0.28 2.90 0.04 -1.26 -4.94 135.00 131.36 1wh4 s PRO 124 Ca 0.30 -0.86 0.00 0.00 0.04 0.00 0.00 61.00 60.49 1wh4 s PRO 124 Cb 0.01 -5.00 0.14 0.00 0.04 0.00 0.00 34.50 29.69 1wh4 s PRO 124 CO 0.16 -2.19 0.33 -1.12 0.04 0.00 0.00 177.00 174.22 1wh4 s SER 125 N 4.60 1.19 0.18 6.66 0.01 -1.26 -5.10 113.70 119.98 1wh4 s SER 125 Ca 0.43 -0.56 0.00 0.00 1.31 0.00 0.00 55.95 57.12 1wh4 s SER 125 Cb -0.02 0.72 0.00 0.00 0.21 0.00 0.00 66.02 66.93 1wh4 s SER 125 CO -0.02 -0.37 0.00 -1.20 0.41 0.00 0.00 173.24 172.05 1wh4 n SER 126 N 5.33 -2.37 0.00 2.44 7.64 -1.26 -5.26 113.62 120.13 1wh4 n SER 126 Ca -0.01 0.42 0.00 0.00 1.01 0.00 0.00 58.87 60.29 1wh4 n SER 126 Cb 0.48 -1.47 0.00 0.00 -1.01 0.00 0.00 64.21 62.20 1wh4 n SER 126 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64