#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wh4 s SER 2 N 0.00 0.10 0.00 1.61 0.01 -1.26 -5.09 113.70 109.07 1wh4 s SER 2 Ca 0.00 -0.29 0.00 0.00 1.31 0.00 0.00 55.95 56.97 1wh4 s SER 2 Cb 0.00 0.16 0.00 0.00 0.21 0.00 0.00 66.02 66.39 1wh4 s SER 2 CO 0.00 -0.30 0.00 -1.20 0.41 0.00 0.00 173.24 172.15 1wh4 n SER 3 N 1.70 0.00 -1.12 2.44 7.64 -1.26 -5.16 113.62 117.86 1wh4 n SER 3 Ca -0.22 0.00 0.15 0.00 1.01 0.00 0.00 58.87 59.81 1wh4 n SER 3 Cb 0.56 0.17 -0.04 0.00 -1.01 0.00 0.00 64.21 63.89 1wh4 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wh4 n GLY 4 N 0.20 -1.82 3.28 0.23 0.00 -1.26 -4.96 105.19 100.86 1wh4 n GLY 4 Ca 0.00 -1.24 0.01 0.00 0.00 0.00 0.00 46.02 44.79 1wh4 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wh4 s SER 5 N -6.07 -1.11 0.00 1.61 0.01 -1.26 -5.16 113.70 101.72 1wh4 s SER 5 Ca 0.00 1.03 0.00 0.00 1.31 0.00 0.00 55.95 58.29 1wh4 s SER 5 Cb 0.00 2.07 0.00 0.00 0.21 0.00 0.00 66.02 68.30 1wh4 s SER 5 CO 0.00 -0.25 0.00 -1.20 0.41 0.00 0.00 173.24 172.20 1wh4 n SER 6 N 5.43 0.00 -4.26 2.44 7.64 -1.26 -5.20 113.62 118.41 1wh4 n SER 6 Ca -0.05 -0.98 -0.22 0.00 1.01 0.00 0.00 58.87 58.64 1wh4 n SER 6 Cb 0.50 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.61 1wh4 n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wh4 s GLY 7 N -0.98 2.19 0.00 0.23 0.00 -1.26 -5.07 107.32 102.43 1wh4 s GLY 7 Ca 0.00 -1.71 0.00 0.00 0.00 0.00 0.00 44.72 43.01 1wh4 s GLY 7 CO 0.00 -1.75 0.00 -0.13 0.00 0.00 0.00 173.10 171.22 1wh4 n MET 8 N -0.71 0.14 -2.33 2.90 0.00 -1.26 -5.10 117.12 110.76 1wh4 n MET 8 Ca -0.03 0.00 -0.41 0.00 -0.00 0.00 0.00 57.70 57.27 1wh4 n MET 8 Cb 0.66 -0.06 -0.03 0.00 0.00 0.00 0.00 33.22 33.78 1wh4 n MET 8 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 175.97 177.18 1wh4 s ASN 9 N -0.81 7.07 -0.09 6.12 3.84 -1.26 -5.07 114.94 124.74 1wh4 s ASN 9 Ca 0.00 2.40 0.02 0.00 0.21 0.00 0.00 52.86 55.49 1wh4 s ASN 9 Cb 0.00 -2.63 0.02 0.00 -0.55 0.00 0.00 41.25 38.09 1wh4 s ASN 9 CO 0.00 -0.32 -0.13 -0.54 -2.79 0.00 0.00 177.10 173.32 1wh4 s LYS 10 N -1.27 1.89 0.00 0.43 1.02 -1.26 -5.12 119.74 115.43 1wh4 s LYS 10 Ca 0.48 -0.45 0.00 0.00 0.02 0.00 0.00 55.97 56.02 1wh4 s LYS 10 Cb -0.35 -1.64 0.00 0.00 -0.52 0.00 0.00 37.83 35.32 1wh4 s LYS 10 CO 0.44 -0.06 0.00 -0.35 -0.92 0.00 0.00 175.35 174.45 1wh4 n PRO 11 N 4.18 -1.03 -1.55 -1.68 -0.04 -1.26 -4.95 135.00 128.66 1wh4 n PRO 11 Ca -0.19 0.00 -0.48 0.00 -0.04 0.00 0.00 63.50 62.79 1wh4 n PRO 11 Cb 0.51 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.94 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 1.14 -4.79 1.53 7.99 -1.26 -4.93 117.00 116.68 1wh4 n LEU 12 Ca 0.00 1.15 -0.33 0.00 -0.01 0.00 0.00 56.01 56.82 1wh4 n LEU 12 Cb 0.00 -1.19 0.02 0.00 -0.11 0.00 0.00 43.42 42.14 1wh4 n LEU 12 CO 0.00 -1.61 0.73 0.42 -1.51 0.00 0.00 177.39 175.42 1wh4 s THR 13 N -0.59 3.50 0.31 -5.08 -4.23 -1.26 -4.82 115.64 103.47 1wh4 s THR 13 Ca 0.68 0.74 0.08 0.00 -1.18 0.00 0.00 61.69 62.01 1wh4 s THR 13 Cb -0.83 -3.26 0.31 0.00 1.34 0.00 0.00 72.50 70.06 1wh4 s THR 13 CO 0.56 -0.39 1.69 -0.65 -0.54 0.00 0.00 174.62 175.29 1wh4 h PRO 14 N 0.43 0.38 0.00 3.99 0.11 -1.92 -1.24 132.00 133.76 1wh4 h PRO 14 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1wh4 h PRO 14 Cb 1.24 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1wh4 h PRO 14 CO 0.56 0.25 0.00 0.66 -0.21 0.00 0.00 178.00 179.26 1wh4 h SER 15 N 0.39 0.00 -3.03 -2.05 4.64 -1.95 0.14 113.55 111.69 1wh4 h SER 15 Ca 0.63 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 61.42 1wh4 h SER 15 Cb 1.27 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 63.40 1wh4 h SER 15 CO -0.56 0.00 0.80 -0.89 -0.87 0.00 0.00 176.83 175.32 1wh4 s THR 16 N -3.61 2.81 0.46 2.95 2.01 -0.47 -4.74 115.64 115.05 1wh4 s THR 16 Ca -0.01 0.61 -0.21 0.00 0.31 0.00 0.00 61.69 62.39 1wh4 s THR 16 Cb 0.09 -3.39 -0.09 0.00 0.01 0.00 0.00 72.50 69.12 1wh4 s THR 16 CO 0.32 0.06 1.04 -0.31 -0.69 0.00 0.00 174.62 175.04 1wh4 s TYR 17 N 0.80 3.09 0.17 4.92 1.51 -1.26 0.10 117.35 126.68 1wh4 s TYR 17 Ca 0.65 1.60 -0.15 0.00 -1.01 0.00 0.00 57.07 58.17 1wh4 s TYR 17 Cb -0.41 -3.07 0.05 0.00 -0.11 0.00 0.00 41.96 38.41 1wh4 s TYR 17 CO 0.34 -0.73 1.83 0.82 -1.11 0.00 0.00 175.55 176.70 1wh4 h ILE 18 N 1.77 1.12 0.00 2.71 1.08 -1.72 -1.05 117.51 121.42 1wh4 h ILE 18 Ca -0.49 -0.22 -0.00 0.00 -0.39 0.00 0.00 64.86 63.76 1wh4 h ILE 18 Cb 1.22 0.41 -0.00 0.00 -3.07 0.00 0.00 36.82 35.38 1wh4 h ILE 18 CO 0.60 0.12 -0.01 0.08 -0.69 0.00 0.00 178.15 178.25 1wh4 h ARG 19 N 0.65 0.00 -0.03 2.37 -0.00 -1.77 -0.77 114.38 114.83 1wh4 h ARG 19 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.16 1wh4 h ARG 19 Cb -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 29.90 1wh4 h ARG 19 CO -0.04 0.01 0.00 -1.71 -0.00 0.00 0.00 179.97 178.23 1wh4 n ASN 20 N -3.16 0.94 -4.86 0.08 5.15 -0.40 -4.92 115.26 108.09 1wh4 n ASN 20 Ca -0.02 -1.38 -0.31 0.00 -0.60 0.00 0.00 54.58 52.27 1wh4 n ASN 20 Cb 0.12 -0.02 -0.04 0.00 -0.53 0.00 0.00 39.78 39.31 1wh4 n ASN 20 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1wh4 s LEU 21 N -1.89 3.92 0.67 1.20 1.43 -0.30 -4.93 118.68 118.78 1wh4 s LEU 21 Ca 0.39 1.23 -0.12 0.00 -1.03 0.00 0.00 54.13 54.60 1wh4 s LEU 21 Cb 0.20 -4.08 -0.00 0.00 0.03 0.00 0.00 46.19 42.34 1wh4 s LEU 21 CO 0.32 -0.33 1.06 0.21 0.23 0.00 0.00 176.35 177.84 1wh4 s ASN 22 N -2.77 5.51 0.53 2.29 3.84 -1.26 -4.87 114.94 118.20 1wh4 s ASN 22 Ca 0.53 1.63 0.25 0.00 0.21 0.00 0.00 52.86 55.48 1wh4 s ASN 22 Cb -0.10 -2.50 1.38 0.00 -0.55 0.00 0.00 41.25 39.48 1wh4 s ASN 22 CO 0.25 -1.36 1.99 -0.37 -2.79 0.00 0.00 177.10 174.83 1wh4 h VAL 23 N -0.52 0.73 0.33 -5.21 -1.51 -1.97 -0.32 116.25 107.78 1wh4 h VAL 23 Ca -0.44 -0.01 -0.01 0.00 -1.23 0.00 0.00 66.70 65.01 1wh4 h VAL 23 Cb 1.21 0.71 -0.02 0.00 -2.13 0.00 0.00 31.29 31.07 1wh4 h VAL 23 CO 0.57 0.00 -0.34 1.23 -1.23 0.00 0.00 177.57 177.80 1wh4 h GLY 24 N 0.02 -1.09 0.60 5.19 0.00 -1.99 0.65 103.07 106.45 1wh4 h GLY 24 Ca 0.26 0.50 0.06 0.00 0.00 0.00 0.00 47.33 48.15 1wh4 h GLY 24 CO -0.01 -0.34 0.15 -2.22 0.00 0.00 0.00 176.54 174.12 1wh4 h ILE 25 N -0.68 0.86 -0.14 2.60 5.03 -1.83 -0.16 117.51 123.20 1wh4 h ILE 25 Ca -0.04 -0.11 0.04 0.00 -0.12 0.00 0.00 64.86 64.63 1wh4 h ILE 25 Cb 0.59 0.51 -0.04 0.00 -3.03 0.00 0.00 36.82 34.85 1wh4 h ILE 25 CO -0.05 0.06 -0.11 -0.07 -0.68 0.00 0.00 178.15 177.30 1wh4 h LEU 26 N 0.32 -0.36 -1.19 1.44 3.38 -0.95 0.20 115.31 118.15 1wh4 h LEU 26 Ca 0.20 0.07 -0.05 0.00 0.09 0.00 0.00 57.88 58.20 1wh4 h LEU 26 Cb 0.20 0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1wh4 h LEU 26 CO -0.21 -0.15 0.05 0.03 0.09 0.00 0.00 178.44 178.25 1wh4 h ARG 27 N -0.13 0.61 0.29 1.13 3.08 -0.40 0.13 114.38 119.10 1wh4 h ARG 27 Ca 0.09 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 1wh4 h ARG 27 Cb 0.26 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.22 1wh4 h ARG 27 CO -0.22 0.60 -0.14 0.87 -1.07 0.00 0.00 179.97 180.01 1wh4 h LYS 28 N 0.59 -0.38 -0.45 0.04 1.57 -0.38 -2.34 116.57 115.22 1wh4 h LYS 28 Ca 0.13 0.03 0.09 0.00 -1.87 0.00 0.00 60.65 59.02 1wh4 h LYS 28 Cb 0.29 0.09 -0.07 0.00 0.08 0.00 0.00 32.23 32.62 1wh4 h LYS 28 CO 0.00 -0.07 0.00 -0.07 -0.57 0.00 0.00 179.45 178.74 1wh4 h LEU 29 N -0.70 -0.19 -2.13 2.94 -0.00 -0.50 -0.88 115.31 113.85 1wh4 h LEU 29 Ca -0.04 0.11 0.07 0.00 -0.00 0.00 0.00 57.88 58.01 1wh4 h LEU 29 Cb 0.48 0.19 -0.01 0.00 -0.00 0.00 0.00 40.66 41.32 1wh4 h LEU 29 CO 0.07 -0.06 0.20 -1.28 -0.00 0.00 0.00 178.44 177.37 1wh4 h SER 30 N 0.11 0.00 0.43 -0.43 0.87 -0.72 0.27 113.55 114.08 1wh4 h SER 30 Ca 0.23 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.71 1wh4 h SER 30 Cb 0.33 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.28 1wh4 h SER 30 CO -0.38 0.00 -0.38 -0.78 -0.53 0.00 0.00 176.83 174.76 1wh4 h ASP 31 N 0.00 0.00 0.00 6.23 1.82 -0.58 -2.41 116.42 121.48 1wh4 h ASP 31 Ca 0.11 0.00 -0.17 0.00 -0.39 0.00 0.00 57.03 56.58 1wh4 h ASP 31 Cb 0.52 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.50 1wh4 h ASP 31 CO -0.00 0.38 -1.82 0.49 -1.61 0.00 0.00 179.24 176.68 1wh4 n PHE 32 N -4.00 0.00 -0.10 0.28 3.72 -0.13 -4.61 117.46 112.63 1wh4 n PHE 32 Ca -0.02 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.28 1wh4 n PHE 32 Cb 0.42 -0.55 -0.14 0.00 -0.94 0.00 0.00 39.48 38.27 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 -2.34 1.31 -0.03 4.37 2.08 0.76 -4.36 119.36 121.15 1wh4 n ILE 33 Ca -0.16 -0.75 -0.11 0.00 0.56 0.00 0.00 62.75 62.29 1wh4 n ILE 33 Cb 0.76 -0.64 -0.05 0.00 -0.75 0.00 0.00 39.64 38.96 1wh4 n ILE 33 CO 0.00 0.00 0.00 0.44 0.56 0.00 0.00 176.55 177.55 1wh4 h ASP 34 N 0.00 0.18 -3.78 4.38 3.32 -1.61 0.10 116.42 119.01 1wh4 h ASP 34 Ca -0.52 -0.14 -0.45 0.00 0.02 0.00 0.00 57.03 55.95 1wh4 h ASP 34 Cb 2.11 -0.05 0.17 0.00 0.22 0.00 0.00 39.33 41.78 1wh4 h ASP 34 CO 0.01 0.27 0.16 -2.16 -1.72 0.00 0.00 179.24 175.80 1wh4 s PRO 35 N -5.66 0.16 -1.56 3.56 0.04 -1.26 -3.94 135.00 126.34 1wh4 s PRO 35 Ca -0.14 0.54 0.00 0.00 0.04 0.00 0.00 61.00 61.44 1wh4 s PRO 35 Cb 0.07 -1.70 0.00 0.00 0.04 0.00 0.00 34.50 32.90 1wh4 s PRO 35 CO 0.69 -2.92 0.00 1.04 0.04 0.00 0.00 177.00 175.86 1wh4 n GLN 36 N -4.31 -1.33 -2.37 4.56 6.02 -1.26 -1.46 117.38 117.23 1wh4 n GLN 36 Ca 0.05 0.87 -0.14 0.00 -0.01 0.00 0.00 57.00 57.76 1wh4 n GLN 36 Cb 0.57 -5.14 -0.01 0.00 1.02 0.00 0.00 30.24 26.68 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 -1.96 -2.05 -0.33 -1.09 1.02 -1.25 -4.89 120.64 110.09 1wh4 n GLU 37 Ca -0.15 0.71 0.12 0.00 -0.02 0.00 0.00 57.16 57.83 1wh4 n GLU 37 Cb 0.49 -5.30 0.31 0.00 -0.02 0.00 0.00 31.44 26.91 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 0.00 1.67 0.95 0.62 0.00 -0.84 -0.69 103.07 104.78 1wh4 h GLY 38 Ca -0.34 -0.29 -0.03 0.00 0.00 0.00 0.00 47.33 46.67 1wh4 h GLY 38 CO 0.41 -0.13 0.15 0.11 0.00 0.00 0.00 176.54 177.08 1wh4 h TRP 39 N 0.63 0.68 -0.96 5.60 5.08 -1.07 0.23 115.95 126.14 1wh4 h TRP 39 Ca 0.56 -0.06 -0.00 0.00 1.08 0.00 0.00 58.89 60.46 1wh4 h TRP 39 Cb 0.93 -0.20 -0.05 0.00 -3.00 0.00 0.00 29.16 26.84 1wh4 h TRP 39 CO -0.05 0.61 0.58 0.87 -1.28 0.00 0.00 178.44 179.17 1wh4 h LYS 40 N 0.55 1.30 -0.10 0.12 1.57 -1.51 0.54 116.57 119.05 1wh4 h LYS 40 Ca 0.14 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 1wh4 h LYS 40 Cb 0.24 -0.27 -0.00 0.00 0.08 0.00 0.00 32.23 32.27 1wh4 h LYS 40 CO -0.01 0.90 -0.00 0.87 -0.57 0.00 0.00 179.45 180.64 1wh4 h LYS 41 N 1.32 0.17 -0.08 3.15 1.57 -0.75 0.37 116.57 122.33 1wh4 h LYS 41 Ca 0.34 -0.05 0.03 0.00 -1.87 0.00 0.00 60.65 59.10 1wh4 h LYS 41 Cb -0.06 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.19 1wh4 h LYS 41 CO -0.07 0.43 -0.15 1.25 -0.57 0.00 0.00 179.45 180.35 1wh4 h LEU 42 N -0.11 -0.44 0.11 2.94 7.12 -0.77 -0.71 115.31 123.45 1wh4 h LEU 42 Ca 0.03 0.08 0.01 0.00 0.13 0.00 0.00 57.88 58.13 1wh4 h LEU 42 Cb 0.35 0.20 -0.03 0.00 -0.53 0.00 0.00 40.66 40.66 1wh4 h LEU 42 CO 0.01 -0.19 -0.20 0.00 -0.13 0.00 0.00 178.44 177.92 1wh4 h ALA 43 N 0.81 -0.34 0.00 1.25 0.00 -0.67 -1.24 119.26 119.06 1wh4 h ALA 43 Ca 0.07 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1wh4 h ALA 43 Cb 0.31 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1wh4 h ALA 43 CO -0.20 -0.73 -0.28 -0.24 0.00 0.00 0.00 179.25 177.80 1wh4 h VAL 44 N -0.39 0.97 -0.24 0.00 3.04 -0.89 -2.49 116.25 116.26 1wh4 h VAL 44 Ca 0.03 -1.06 -0.14 0.00 -1.01 0.00 0.00 66.70 64.52 1wh4 h VAL 44 Cb 0.41 1.61 -0.01 0.00 -2.01 0.00 0.00 31.29 31.29 1wh4 h VAL 44 CO -0.11 0.28 -0.43 0.00 -1.01 0.00 0.00 177.57 176.29 1wh4 h ALA 45 N 1.72 0.80 -1.73 3.17 0.00 -0.64 -3.42 119.26 119.17 1wh4 h ALA 45 Ca -0.00 -0.46 -0.55 0.00 0.00 0.00 0.00 54.91 53.91 1wh4 h ALA 45 Cb 0.59 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1wh4 h ALA 45 CO 0.04 0.66 1.30 0.42 0.00 0.00 0.00 179.25 181.67 1wh4 s ILE 46 N -4.20 3.44 0.20 0.00 1.01 -0.51 -4.99 121.20 116.16 1wh4 s ILE 46 Ca -0.08 0.40 0.03 0.00 0.00 0.00 0.00 60.65 61.00 1wh4 s ILE 46 Cb 0.12 -3.76 -0.03 0.00 0.01 0.00 0.00 42.46 38.80 1wh4 s ILE 46 CO 0.83 -0.59 0.34 -0.54 0.00 0.00 0.00 174.94 174.99 1wh4 s LYS 47 N 6.18 3.45 1.11 2.79 3.01 -1.26 -2.28 119.74 132.74 1wh4 s LYS 47 Ca 0.75 -0.61 -0.13 0.00 -1.01 0.00 0.00 55.97 54.98 1wh4 s LYS 47 Cb -0.18 -2.90 0.25 0.00 -1.01 0.00 0.00 37.83 33.99 1wh4 s LYS 47 CO 0.29 0.45 1.05 0.15 0.51 0.00 0.00 175.35 177.80 1wh4 s LYS 48 N -3.59 -0.51 0.62 1.68 1.02 0.11 -4.80 119.74 114.27 1wh4 s LYS 48 Ca 0.35 0.81 0.33 0.00 0.02 0.00 0.00 55.97 57.48 1wh4 s LYS 48 Cb -0.10 -1.60 1.87 0.00 -0.52 0.00 0.00 37.83 37.47 1wh4 s LYS 48 CO 0.29 -3.44 2.17 -1.35 -0.92 0.00 0.00 175.35 172.10 1wh4 h PRO 49 N -2.42 0.00 -0.01 -1.68 0.11 -2.00 0.20 132.00 126.20 1wh4 h PRO 49 Ca -0.59 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.52 1wh4 h PRO 49 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 1wh4 h PRO 49 CO 0.51 0.00 -0.11 0.43 -0.21 0.00 0.00 178.00 178.63 1wh4 n SER 50 N -3.52 1.01 0.00 -2.05 7.64 -1.26 -4.94 113.62 110.50 1wh4 n SER 50 Ca -0.01 -1.06 0.00 0.00 1.01 0.00 0.00 58.87 58.81 1wh4 n SER 50 Cb 0.23 0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.46 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 1.24 0.76 3.70 0.23 0.00 0.06 -5.06 105.19 106.12 1wh4 n GLY 51 Ca 0.16 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.05 7.25 0.01 1.61 1.01 -1.26 -4.80 116.67 118.44 1wh4 s ASP 52 Ca 0.00 1.69 -0.30 0.00 0.71 0.00 0.00 52.55 54.65 1wh4 s ASP 52 Cb 0.00 -2.57 -0.08 0.00 1.01 0.00 0.00 42.92 41.28 1wh4 s ASP 52 CO 0.00 -0.39 1.99 -1.81 0.21 0.00 0.00 175.17 175.18 1wh4 s ASP 53 N 1.10 6.34 0.39 0.27 1.11 -1.26 0.07 116.67 124.69 1wh4 s ASP 53 Ca 0.52 2.58 0.08 0.00 0.18 0.00 0.00 52.55 55.91 1wh4 s ASP 53 Cb -0.22 -2.53 0.79 0.00 1.07 0.00 0.00 42.92 42.03 1wh4 s ASP 53 CO 0.24 -1.16 1.97 0.03 1.18 0.00 0.00 175.17 177.43 1wh4 h ARG 54 N 11.10 0.40 -2.74 8.23 3.08 -1.74 -3.37 114.38 129.34 1wh4 h ARG 54 Ca -0.49 -0.06 -0.60 0.00 0.07 0.00 0.00 59.98 58.91 1wh4 h ARG 54 Cb 1.24 -0.07 -0.39 0.00 0.08 0.00 0.00 29.97 30.82 1wh4 h ARG 54 CO 0.94 0.40 -0.81 0.71 -1.07 0.00 0.00 179.97 180.14 1wh4 s TYR 55 N -5.07 1.49 1.37 3.04 2.02 -1.26 -5.06 117.35 113.89 1wh4 s TYR 55 Ca -0.07 -2.19 -0.21 0.00 -0.37 0.00 0.00 57.07 54.23 1wh4 s TYR 55 Cb 0.16 -1.43 0.34 0.00 -0.40 0.00 0.00 41.96 40.64 1wh4 s TYR 55 CO 0.74 -0.79 0.85 0.27 -1.57 0.00 0.00 175.55 175.05 1wh4 n ASN 56 N 3.48 -3.50 0.12 2.29 0.23 -1.26 -4.62 115.26 112.00 1wh4 n ASN 56 Ca 0.15 -0.66 0.18 0.00 -0.53 0.00 0.00 54.58 53.72 1wh4 n ASN 56 Cb 0.38 -1.05 0.75 0.00 -2.08 0.00 0.00 39.78 37.78 1wh4 n ASN 56 CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 1wh4 h GLN 57 N -3.34 0.00 -0.64 -3.83 4.20 -1.98 -0.30 115.11 109.21 1wh4 h GLN 57 Ca -0.45 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.24 1wh4 h GLN 57 Cb 1.30 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 29.05 1wh4 h GLN 57 CO 0.31 0.00 0.33 0.35 -0.67 0.00 0.00 178.83 179.14 1wh4 h PHE 58 N 0.00 0.91 0.01 2.96 3.57 -1.99 0.78 116.94 123.18 1wh4 h PHE 58 Ca 0.15 -0.03 -0.21 0.00 3.53 0.00 0.00 57.97 61.41 1wh4 h PHE 58 Cb 0.72 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 1wh4 h PHE 58 CO 0.00 0.67 -0.93 0.45 -2.23 0.00 0.00 178.31 176.27 1wh4 h HIS 59 N 0.88 0.35 -0.72 0.41 3.86 -1.39 -2.58 115.15 115.96 1wh4 h HIS 59 Ca 0.22 -0.20 0.06 0.00 -1.16 0.00 0.00 60.37 59.29 1wh4 h HIS 59 Cb 0.08 -0.04 -0.06 0.00 1.06 0.00 0.00 27.41 28.46 1wh4 h HIS 59 CO -0.00 1.03 0.42 0.82 0.86 0.00 0.00 177.93 181.06 1wh4 h ILE 60 N 0.12 1.00 -0.31 2.45 1.08 -0.97 -0.10 117.51 120.79 1wh4 h ILE 60 Ca -0.06 -0.27 -0.08 0.00 -0.39 0.00 0.00 64.86 64.06 1wh4 h ILE 60 Cb 1.57 0.15 -0.02 0.00 -3.07 0.00 0.00 36.82 35.46 1wh4 h ILE 60 CO 0.14 0.14 -0.15 0.03 -0.69 0.00 0.00 178.15 177.62 1wh4 h ARG 61 N 0.78 0.54 0.30 2.37 2.47 -0.65 0.21 114.38 120.39 1wh4 h ARG 61 Ca 0.32 -0.17 -0.00 0.00 -1.26 0.00 0.00 59.98 58.86 1wh4 h ARG 61 Cb 0.16 -0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 28.42 1wh4 h ARG 61 CO -0.17 0.68 -0.26 0.00 0.56 0.00 0.00 179.97 180.78 1wh4 h ARG 62 N 0.49 -0.56 -0.67 0.04 2.47 -1.05 -2.33 114.38 112.78 1wh4 h ARG 62 Ca 0.09 0.04 -0.02 0.00 -1.26 0.00 0.00 59.98 58.82 1wh4 h ARG 62 Cb 0.55 0.13 -0.03 0.00 -1.65 0.00 0.00 29.97 28.97 1wh4 h ARG 62 CO 0.04 -0.37 0.34 0.74 0.56 0.00 0.00 179.97 181.27 1wh4 h PHE 63 N -0.58 0.92 -0.74 3.04 0.04 -0.43 -1.26 116.94 117.93 1wh4 h PHE 63 Ca -0.02 -0.03 0.06 0.00 2.80 0.00 0.00 57.97 60.79 1wh4 h PHE 63 Cb 0.52 -0.29 -0.06 0.00 2.20 0.00 0.00 35.95 38.32 1wh4 h PHE 63 CO -0.15 0.66 0.43 0.93 -0.60 0.00 0.00 178.31 179.58 1wh4 h GLU 64 N 0.94 0.77 -0.05 1.51 5.08 -0.59 -1.77 114.58 120.48 1wh4 h GLU 64 Ca 0.23 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.56 1wh4 h GLU 64 Cb 0.07 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.14 1wh4 h GLU 64 CO -0.03 0.51 0.08 0.00 -1.00 0.00 0.00 179.01 178.57 1wh4 h ALA 65 N 1.37 1.40 0.43 3.43 0.00 -0.64 0.15 119.26 125.39 1wh4 h ALA 65 Ca 0.33 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 1wh4 h ALA 65 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1wh4 h ALA 65 CO -0.18 -0.11 -0.21 -0.07 0.00 0.00 0.00 179.25 178.69 1wh4 h LEU 66 N 0.00 -0.49 -1.52 0.00 3.38 -1.29 -3.12 115.31 112.27 1wh4 h LEU 66 Ca 0.02 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1wh4 h LEU 66 Cb 0.19 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1wh4 h LEU 66 CO -0.00 -0.22 0.01 0.17 0.09 0.00 0.00 178.44 178.48 1wh4 h LEU 67 N -0.82 0.28 -0.08 1.67 8.10 -0.88 0.12 115.31 123.71 1wh4 h LEU 67 Ca -0.06 -0.04 0.00 0.00 0.11 0.00 0.00 57.88 57.90 1wh4 h LEU 67 Cb 0.44 -0.07 0.00 0.00 -0.44 0.00 0.00 40.66 40.59 1wh4 h LEU 67 CO 0.10 0.33 0.00 0.00 -4.11 0.00 0.00 178.44 174.76 1wh4 n GLN 68 N -4.37 0.03 -0.00 0.17 1.13 0.42 -3.07 117.38 111.68 1wh4 n GLN 68 Ca 0.00 0.23 0.00 0.00 -1.94 0.00 0.00 57.00 55.30 1wh4 n GLN 68 Cb 0.18 -1.55 -0.01 0.00 0.11 0.00 0.00 30.24 28.98 1wh4 n GLN 68 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1wh4 n THR 69 N -1.59 0.00 0.00 5.09 -2.24 -0.46 -5.04 114.28 110.03 1wh4 n THR 69 Ca 0.04 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1wh4 n THR 69 Cb 0.20 0.53 0.00 0.00 -2.10 0.00 0.00 70.33 68.96 1wh4 n THR 69 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wh4 n GLY 70 N 2.31 0.88 3.91 3.38 0.00 0.26 -5.09 105.19 110.83 1wh4 n GLY 70 Ca -0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 0.00 3.62 -0.14 1.61 1.02 -0.30 -4.92 119.74 120.63 1wh4 s LYS 71 Ca 0.00 0.04 -0.29 0.00 0.02 0.00 0.00 55.97 55.73 1wh4 s LYS 71 Cb 0.00 -2.59 -0.03 0.00 -0.52 0.00 0.00 37.83 34.69 1wh4 s LYS 71 CO 0.00 0.13 1.45 -1.12 -0.92 0.00 0.00 175.35 174.89 1wh4 s SER 72 N -3.37 6.77 0.35 2.83 0.01 -1.26 -2.35 113.70 116.68 1wh4 s SER 72 Ca 0.45 1.87 0.08 0.00 1.31 0.00 0.00 55.95 59.65 1wh4 s SER 72 Cb -0.10 -2.54 0.64 0.00 0.21 0.00 0.00 66.02 64.23 1wh4 s SER 72 CO 0.32 -0.89 1.83 1.55 0.41 0.00 0.00 173.24 176.46 1wh4 h PRO 73 N 9.03 0.26 -0.45 12.44 0.13 -1.91 -3.19 132.00 148.31 1wh4 h PRO 73 Ca -0.32 -0.08 0.08 0.00 -0.87 0.00 0.00 66.00 64.81 1wh4 h PRO 73 Cb 1.14 -0.02 -0.07 0.00 0.13 0.00 0.00 31.00 32.18 1wh4 h PRO 73 CO 0.97 0.48 0.06 1.15 -0.23 0.00 0.00 178.00 180.43 1wh4 h THR 74 N 0.23 0.73 -0.01 1.56 2.02 -1.90 -0.16 112.91 115.38 1wh4 h THR 74 Ca 0.04 -0.06 -0.12 0.00 0.77 0.00 0.00 66.41 67.03 1wh4 h THR 74 Cb 0.54 0.52 -0.02 0.00 -1.74 0.00 0.00 68.15 67.46 1wh4 h THR 74 CO 0.04 0.03 -0.57 0.00 0.37 0.00 0.00 175.52 175.39 1wh4 h GLU 76 N 0.03 -0.05 0.05 0.00 4.39 -1.58 -3.10 114.58 114.32 1wh4 h GLU 76 Ca -0.01 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.72 1wh4 h GLU 76 Cb 1.02 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.65 1wh4 h GLU 76 CO 0.08 0.52 -0.18 1.25 -1.16 0.00 0.00 179.01 179.52 1wh4 h LEU 77 N -0.95 -0.52 -0.13 1.33 5.85 -0.91 0.35 115.31 120.33 1wh4 h LEU 77 Ca -0.01 0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.79 1wh4 h LEU 77 Cb 0.60 0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.83 1wh4 h LEU 77 CO 0.01 -0.25 0.05 -0.07 -0.34 0.00 0.00 178.44 177.84 1wh4 h LEU 78 N -0.32 0.07 0.12 2.25 3.38 -0.96 -0.39 115.31 119.45 1wh4 h LEU 78 Ca 0.04 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.04 1wh4 h LEU 78 Cb 0.37 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 1wh4 h LEU 78 CO -0.14 0.06 -0.29 0.15 0.09 0.00 0.00 178.44 178.31 1wh4 h PHE 79 N 0.12 -0.78 -0.65 1.13 3.04 -1.43 0.59 116.94 118.96 1wh4 h PHE 79 Ca 0.05 0.02 -0.09 0.00 3.98 0.00 0.00 57.97 61.93 1wh4 h PHE 79 Cb 0.02 0.33 -0.02 0.00 2.56 0.00 0.00 35.95 38.83 1wh4 h PHE 79 CO -0.10 -0.39 0.07 0.22 -2.02 0.00 0.00 178.31 176.09 1wh4 h ASP 80 N -0.50 1.07 -0.65 0.41 1.82 -0.67 0.11 116.42 118.01 1wh4 h ASP 80 Ca 0.03 -0.28 -0.06 0.00 -0.39 0.00 0.00 57.03 56.34 1wh4 h ASP 80 Cb 0.53 -0.29 -0.03 0.00 0.68 0.00 0.00 39.33 40.23 1wh4 h ASP 80 CO -0.17 1.08 0.18 -0.25 -1.61 0.00 0.00 179.24 178.48 1wh4 h TRP 81 N 1.02 1.09 -0.14 0.28 7.01 -1.10 -2.47 115.95 121.65 1wh4 h TRP 81 Ca 0.19 -0.11 0.01 0.00 2.11 0.00 0.00 58.89 61.09 1wh4 h TRP 81 Cb 0.49 -0.32 -0.01 0.00 -2.10 0.00 0.00 29.16 27.22 1wh4 h TRP 81 CO 0.04 0.88 0.05 0.78 -2.79 0.00 0.00 178.44 177.40 1wh4 h GLY 82 N 1.07 0.17 2.00 2.65 0.00 0.52 -2.17 103.07 107.31 1wh4 h GLY 82 Ca 0.22 -0.03 -0.05 0.00 0.00 0.00 0.00 47.33 47.47 1wh4 h GLY 82 CO -0.00 0.03 -0.22 0.00 0.00 0.00 0.00 176.54 176.34 1wh4 h THR 83 N 0.12 0.73 0.00 4.70 1.03 -0.96 -0.57 112.91 117.97 1wh4 h THR 83 Ca 0.06 -0.94 0.00 0.00 -0.01 0.00 0.00 66.41 65.52 1wh4 h THR 83 Cb 0.03 1.59 0.00 0.00 -1.07 0.00 0.00 68.15 68.70 1wh4 h THR 83 CO -0.06 0.22 0.00 0.41 -0.01 0.00 0.00 175.52 176.08 1wh4 n THR 84 N -3.65 0.00 -0.52 0.00 -1.04 -0.83 -4.84 114.28 103.40 1wh4 n THR 84 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 1wh4 n THR 84 Cb 0.35 -0.58 0.00 0.00 -1.82 0.00 0.00 70.33 68.28 1wh4 n THR 84 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1wh4 n ASN 85 N -0.77 -1.57 -4.89 8.00 3.02 -0.22 -5.06 115.26 113.77 1wh4 n ASN 85 Ca 0.05 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.30 1wh4 n ASN 85 Cb 0.02 -0.26 0.05 0.00 -0.61 0.00 0.00 39.78 38.98 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 -3.34 1.05 0.20 0.00 -4.23 -1.26 -2.49 115.64 105.57 1wh4 s THR 87 Ca 0.58 -2.02 -0.11 0.00 -1.18 0.00 0.00 61.69 58.96 1wh4 s THR 87 Cb -0.11 -2.52 0.12 0.00 1.34 0.00 0.00 72.50 71.33 1wh4 s THR 87 CO 0.50 -0.18 1.81 0.58 -0.54 0.00 0.00 174.62 176.80 1wh4 h VAL 88 N 2.34 1.00 -0.21 2.29 2.07 0.22 0.54 116.25 124.51 1wh4 h VAL 88 Ca -0.39 -0.23 0.02 0.00 0.82 0.00 0.00 66.70 66.92 1wh4 h VAL 88 Cb 1.23 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 1wh4 h VAL 88 CO 0.66 0.12 0.07 1.23 0.02 0.00 0.00 177.57 179.67 1wh4 h GLY 89 N 0.68 0.25 0.07 2.17 0.00 -1.01 -0.77 103.07 104.46 1wh4 h GLY 89 Ca 0.27 -0.04 0.08 0.00 0.00 0.00 0.00 47.33 47.64 1wh4 h GLY 89 CO -0.15 0.02 -0.21 -1.80 0.00 0.00 0.00 176.54 174.41 1wh4 h ASP 90 N 0.16 -0.69 0.40 0.19 3.58 -1.56 -0.06 116.42 118.45 1wh4 h ASP 90 Ca 0.09 0.15 -0.01 0.00 0.42 0.00 0.00 57.03 57.68 1wh4 h ASP 90 Cb 0.07 0.36 -0.01 0.00 1.72 0.00 0.00 39.33 41.46 1wh4 h ASP 90 CO -0.10 -0.24 -0.28 0.25 -2.88 0.00 0.00 179.24 175.99 1wh4 h LEU 91 N -0.16 -0.73 -0.64 2.28 5.85 -0.47 -2.28 115.31 119.17 1wh4 h LEU 91 Ca 0.17 0.05 0.12 0.00 0.84 0.00 0.00 57.88 59.07 1wh4 h LEU 91 Cb 0.43 0.23 -0.09 0.00 0.37 0.00 0.00 40.66 41.60 1wh4 h LEU 91 CO -0.44 -0.44 0.16 0.58 -0.34 0.00 0.00 178.44 177.96 1wh4 h VAL 92 N -0.67 0.63 -0.07 1.05 2.07 -0.86 0.88 116.25 119.27 1wh4 h VAL 92 Ca -0.04 -0.10 0.04 0.00 0.82 0.00 0.00 66.70 67.42 1wh4 h VAL 92 Cb 0.57 0.32 -0.05 0.00 -1.52 0.00 0.00 31.29 30.60 1wh4 h VAL 92 CO 0.02 0.05 -0.28 -0.78 0.02 0.00 0.00 177.57 176.60 1wh4 h ASP 93 N 0.29 -0.86 -0.48 0.57 1.82 -0.47 0.79 116.42 118.08 1wh4 h ASP 93 Ca 0.34 0.12 -0.13 0.00 -0.39 0.00 0.00 57.03 56.97 1wh4 h ASP 93 Cb 0.51 0.36 -0.01 0.00 0.68 0.00 0.00 39.33 40.87 1wh4 h ASP 93 CO -0.42 -0.34 -0.21 -0.07 -1.61 0.00 0.00 179.24 176.59 1wh4 h LEU 94 N -0.39 1.02 -0.61 2.28 3.38 -1.20 -2.13 115.31 117.65 1wh4 h LEU 94 Ca 0.08 -0.40 -0.00 0.00 0.09 0.00 0.00 57.88 57.66 1wh4 h LEU 94 Cb 0.51 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1wh4 h LEU 94 CO -0.29 1.19 0.38 -0.07 0.09 0.00 0.00 178.44 179.74 1wh4 h LEU 95 N 0.84 0.72 -0.41 1.67 3.38 -0.14 -0.48 115.31 120.90 1wh4 h LEU 95 Ca 0.11 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1wh4 h LEU 95 Cb 0.79 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 1wh4 h LEU 95 CO 0.07 0.56 0.23 0.58 0.09 0.00 0.00 178.44 179.96 1wh4 h VAL 96 N 0.83 1.15 -0.41 1.22 2.07 -0.80 0.70 116.25 121.02 1wh4 h VAL 96 Ca 0.22 -0.38 0.07 0.00 0.82 0.00 0.00 66.70 67.43 1wh4 h VAL 96 Cb -0.05 0.66 -0.06 0.00 -1.52 0.00 0.00 31.29 30.32 1wh4 h VAL 96 CO -0.04 0.16 0.05 -0.61 0.02 0.00 0.00 177.57 177.14 1wh4 h GLN 97 N 0.53 0.16 0.00 1.57 4.15 -0.64 -2.42 115.11 118.45 1wh4 h GLN 97 Ca 0.14 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.55 1wh4 h GLN 97 Cb 0.05 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.70 1wh4 h GLN 97 CO -0.02 0.10 0.00 -0.84 -1.93 0.00 0.00 178.83 176.14 1wh4 h ILE 98 N 0.16 0.00 -0.72 2.39 3.07 -1.03 -3.47 117.51 117.92 1wh4 h ILE 98 Ca 0.20 -0.48 0.00 0.00 1.55 0.00 0.00 64.86 66.13 1wh4 h ILE 98 Cb 0.26 1.41 0.00 0.00 -0.27 0.00 0.00 36.82 38.22 1wh4 h ILE 98 CO -0.29 0.00 0.00 1.21 -1.05 0.00 0.00 178.15 178.02 1wh4 n GLU 99 N -2.43 0.00 -3.41 0.16 2.13 -0.91 -5.06 120.64 111.11 1wh4 n GLU 99 Ca 0.04 0.00 -0.27 0.00 0.66 0.00 0.00 57.16 57.59 1wh4 n GLU 99 Cb 0.38 -1.24 -0.08 0.00 0.27 0.00 0.00 31.44 30.77 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 -0.36 3.38 0.08 4.31 7.99 0.22 -4.94 117.00 127.68 1wh4 n LEU 100 Ca 0.00 -5.36 -0.08 0.00 -0.01 0.00 0.00 56.01 50.56 1wh4 n LEU 100 Cb 0.25 -0.53 0.04 0.00 -0.11 0.00 0.00 43.42 43.06 1wh4 n LEU 100 CO 0.00 2.05 0.34 -0.26 -1.51 0.00 0.00 177.39 178.01 1wh4 h PHE 101 N 4.19 0.33 0.17 -1.77 0.04 -1.90 -3.06 116.94 114.94 1wh4 h PHE 101 Ca 0.19 -0.16 0.02 0.00 2.80 0.00 0.00 57.97 60.81 1wh4 h PHE 101 Cb 0.69 -0.05 -0.04 0.00 2.20 0.00 0.00 35.95 38.75 1wh4 h PHE 101 CO 0.68 0.92 -0.38 0.00 -0.60 0.00 0.00 178.31 178.93 1wh4 h ALA 102 N 1.04 -0.70 -0.36 2.45 0.00 -1.95 0.17 119.26 119.90 1wh4 h ALA 102 Ca -0.03 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1wh4 h ALA 102 Cb 1.35 0.62 -0.02 0.00 0.00 0.00 0.00 17.79 19.74 1wh4 h ALA 102 CO 0.12 -0.95 0.03 -1.00 0.00 0.00 0.00 179.25 177.45 1wh4 h PRO 103 N -0.65 0.55 0.02 0.00 0.13 -1.96 -1.00 132.00 129.10 1wh4 h PRO 103 Ca 0.02 -0.11 0.02 0.00 -0.87 0.00 0.00 66.00 65.05 1wh4 h PRO 103 Cb 0.66 -0.08 -0.02 0.00 0.13 0.00 0.00 31.00 31.68 1wh4 h PRO 103 CO -0.19 0.56 -0.11 0.00 -0.23 0.00 0.00 178.00 178.02 1wh4 h ALA 104 N 1.50 -0.15 -0.48 -0.56 0.00 -1.34 -2.35 119.26 115.88 1wh4 h ALA 104 Ca 0.12 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1wh4 h ALA 104 Cb 0.30 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1wh4 h ALA 104 CO 0.01 -0.61 0.07 1.15 0.00 0.00 0.00 179.25 179.86 1wh4 h THR 105 N -0.20 1.22 -0.34 0.00 2.02 -0.35 0.70 112.91 115.95 1wh4 h THR 105 Ca 0.03 -0.86 -0.04 0.00 0.77 0.00 0.00 66.41 66.31 1wh4 h THR 105 Cb 0.24 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 67.42 1wh4 h THR 105 CO -0.09 0.31 0.04 0.25 0.37 0.00 0.00 175.52 176.39 1wh4 h LEU 106 N 0.72 0.48 0.00 2.58 5.85 -0.92 -2.23 115.31 121.80 1wh4 h LEU 106 Ca 0.15 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 1wh4 h LEU 106 Cb 0.34 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.25 1wh4 h LEU 106 CO 0.01 0.52 -0.00 -0.07 -0.34 0.00 0.00 178.44 178.56 1wh4 h LEU 107 N 0.50 0.00 -6.73 2.25 3.38 -0.86 -3.45 115.31 110.41 1wh4 h LEU 107 Ca 0.11 -0.62 -0.59 0.00 0.09 0.00 0.00 57.88 56.87 1wh4 h LEU 107 Cb 0.27 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 40.63 1wh4 h LEU 107 CO 0.00 0.81 -0.81 -0.76 0.09 0.00 0.00 178.44 177.78 1wh4 s LEU 108 N -8.34 1.47 0.00 1.67 1.02 0.18 -4.29 118.68 110.38 1wh4 s LEU 108 Ca -0.12 -2.23 0.21 0.00 0.02 0.00 0.00 54.13 52.01 1wh4 s LEU 108 Cb -0.02 -0.58 1.15 0.00 0.02 0.00 0.00 46.19 46.75 1wh4 s LEU 108 CO 0.43 -0.31 1.66 -0.81 0.02 0.00 0.00 176.35 177.35 1wh4 n PRO 109 N 4.01 0.45 -0.00 1.29 -0.04 -0.85 -2.77 135.00 137.09 1wh4 n PRO 109 Ca 0.10 0.05 0.02 0.00 -0.04 0.00 0.00 63.50 63.63 1wh4 n PRO 109 Cb 0.37 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.30 1wh4 n PRO 109 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1wh4 n ASP 110 N -1.17 1.55 0.01 3.54 2.03 -1.26 -4.69 116.55 116.56 1wh4 n ASP 110 Ca 0.12 -0.39 -0.18 0.00 0.52 0.00 0.00 54.79 54.87 1wh4 n ASP 110 Cb 0.13 1.07 -0.10 0.00 -0.72 0.00 0.00 41.12 41.50 1wh4 n ASP 110 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1wh4 h ALA 111 N 0.54 0.13 -2.15 -1.67 0.00 -1.90 -3.45 119.26 110.76 1wh4 h ALA 111 Ca 0.00 -0.59 -0.60 0.00 0.00 0.00 0.00 54.91 53.71 1wh4 h ALA 111 Cb 0.14 0.03 0.08 0.00 0.00 0.00 0.00 17.79 18.03 1wh4 h ALA 111 CO 0.00 0.46 0.56 1.55 0.00 0.00 0.00 179.25 181.82 1wh4 n VAL 112 N -4.11 0.72 -0.20 0.00 3.14 -1.25 -4.91 118.33 111.71 1wh4 n VAL 112 Ca -0.10 -0.18 0.00 0.00 -2.96 0.00 0.00 64.34 61.10 1wh4 n VAL 112 Cb 0.72 -1.30 0.09 0.00 -1.06 0.00 0.00 33.84 32.28 1wh4 n VAL 112 CO 0.00 0.00 0.00 -0.65 -6.46 0.00 0.00 176.83 169.72 1wh4 h PRO 113 N 4.33 0.09 -6.13 1.45 0.11 -1.97 -3.35 132.00 126.52 1wh4 h PRO 113 Ca -0.45 -0.01 -0.58 0.00 0.11 0.00 0.00 66.00 65.08 1wh4 h PRO 113 Cb 1.29 -0.02 -0.10 0.00 0.11 0.00 0.00 31.00 32.28 1wh4 h PRO 113 CO 0.77 0.06 1.22 -1.14 -0.21 0.00 0.00 178.00 178.70 1wh4 s GLN 114 N -6.17 3.39 0.01 1.05 0.74 -1.26 -4.89 119.66 112.53 1wh4 s GLN 114 Ca -0.14 -0.76 -0.25 0.00 0.05 0.00 0.00 55.36 54.26 1wh4 s GLN 114 Cb 0.18 -4.76 -0.15 0.00 1.10 0.00 0.00 33.01 29.38 1wh4 s GLN 114 CO 0.73 -2.14 1.14 1.79 -0.55 0.00 0.00 175.29 176.26 1wh4 h THR 115 N 6.37 0.29 -6.72 -0.34 1.35 -1.90 -3.48 112.91 108.48 1wh4 h THR 115 Ca -0.04 -0.43 -0.48 0.00 -0.55 0.00 0.00 66.41 64.91 1wh4 h THR 115 Cb 1.03 0.41 0.00 0.00 -1.73 0.00 0.00 68.15 67.87 1wh4 h THR 115 CO 1.34 0.05 -1.08 0.55 -0.25 0.00 0.00 175.52 176.12 1wh4 n VAL 116 N -5.28 -3.50 -2.39 6.82 3.14 -1.26 -4.88 118.33 110.98 1wh4 n VAL 116 Ca -0.11 -0.01 -0.43 0.00 -2.96 0.00 0.00 64.34 60.83 1wh4 n VAL 116 Cb 0.32 -3.04 -0.02 0.00 -1.06 0.00 0.00 33.84 30.04 1wh4 n VAL 116 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 1wh4 s LYS 117 N -4.82 4.24 0.13 1.45 3.01 -1.26 -5.03 119.74 117.46 1wh4 s LYS 117 Ca 0.02 1.70 0.09 0.00 -1.01 0.00 0.00 55.97 56.77 1wh4 s LYS 117 Cb -0.00 -3.76 -0.04 0.00 -1.01 0.00 0.00 37.83 33.02 1wh4 s LYS 117 CO 0.89 -0.70 -0.21 0.45 0.51 0.00 0.00 175.35 176.30 1wh4 s SER 118 N 2.04 2.73 -0.14 2.83 0.15 -1.26 -5.15 113.70 114.90 1wh4 s SER 118 Ca 0.56 -0.76 -0.07 0.00 0.70 0.00 0.00 55.95 56.37 1wh4 s SER 118 Cb -0.23 -0.16 0.05 0.00 -1.71 0.00 0.00 66.02 63.97 1wh4 s SER 118 CO 0.16 0.04 0.33 -0.22 1.20 0.00 0.00 173.24 174.76 1wh4 s LEU 119 N -2.23 0.15 0.63 3.45 0.20 -1.26 -5.14 118.68 114.47 1wh4 s LEU 119 Ca 0.11 0.71 -0.13 0.00 0.69 0.00 0.00 54.13 55.52 1wh4 s LEU 119 Cb -0.08 1.05 -0.02 0.00 -0.43 0.00 0.00 46.19 46.70 1wh4 s LEU 119 CO 0.06 -0.18 1.04 -2.16 -0.29 0.00 0.00 176.35 174.82 1wh4 s PRO 120 N 1.33 3.29 0.83 0.98 0.04 -1.26 -5.05 135.00 135.15 1wh4 s PRO 120 Ca -0.09 1.00 -0.11 0.00 0.04 0.00 0.00 61.00 61.83 1wh4 s PRO 120 Cb -0.09 -2.04 0.09 0.00 0.04 0.00 0.00 34.50 32.50 1wh4 s PRO 120 CO -0.11 -0.82 1.09 -1.25 0.04 0.00 0.00 177.00 175.96 1wh4 s PRO 121 N -4.63 1.85 0.00 0.56 0.04 -1.26 -4.99 135.00 126.56 1wh4 s PRO 121 Ca 0.59 0.71 0.21 0.00 0.04 0.00 0.00 61.00 62.56 1wh4 s PRO 121 Cb -0.14 -1.88 0.55 0.00 0.04 0.00 0.00 34.50 33.06 1wh4 s PRO 121 CO 0.46 -1.81 1.45 -1.13 0.04 0.00 0.00 177.00 176.01 1wh4 n SER 122 N -3.57 2.69 0.00 6.66 3.41 -1.26 -5.06 113.62 116.49 1wh4 n SER 122 Ca 0.07 -1.90 0.00 0.00 -0.26 0.00 0.00 58.87 56.78 1wh4 n SER 122 Cb 0.56 -0.22 0.00 0.00 -0.26 0.00 0.00 64.21 64.28 1wh4 n SER 122 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wh4 n GLY 123 N 1.34 -1.67 3.57 5.00 0.00 -1.26 -4.83 105.19 107.34 1wh4 n GLY 123 Ca 0.18 -2.05 -0.31 0.00 0.00 0.00 0.00 46.02 43.84 1wh4 n GLY 123 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wh4 s PRO 124 N 0.00 2.79 1.00 1.61 0.04 -1.26 -4.98 135.00 134.20 1wh4 s PRO 124 Ca 0.00 -0.98 -0.11 0.00 0.04 0.00 0.00 61.00 59.95 1wh4 s PRO 124 Cb 0.00 -5.23 0.20 0.00 0.04 0.00 0.00 34.50 29.51 1wh4 s PRO 124 CO 0.00 -3.43 1.10 -1.12 0.04 0.00 0.00 177.00 173.60 1wh4 s SER 125 N 6.59 2.21 0.00 6.66 0.01 -1.26 -5.03 113.70 122.88 1wh4 s SER 125 Ca 0.65 1.95 0.00 0.00 1.31 0.00 0.00 55.95 59.87 1wh4 s SER 125 Cb -0.02 -2.48 0.00 0.00 0.21 0.00 0.00 66.02 63.73 1wh4 s SER 125 CO 0.06 -3.51 0.00 -1.20 0.41 0.00 0.00 173.24 169.00 1wh4 n SER 126 N -4.49 2.91 0.00 2.44 7.64 -1.26 -5.16 113.62 115.70 1wh4 n SER 126 Ca 0.09 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.97 1wh4 n SER 126 Cb 0.53 0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 1wh4 n SER 126 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64