#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 -2.10 -3.56 1.61 2.88 -1.26 -5.14 113.62 106.05 1wh4 n SER 2 Ca 0.00 0.06 -0.16 0.00 -1.33 0.00 0.00 58.87 57.44 1wh4 n SER 2 Cb 0.00 0.73 -0.06 0.00 -0.75 0.00 0.00 64.21 64.13 1wh4 n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wh4 s SER 3 N -1.28 -0.64 0.00 -3.46 0.01 -1.26 -5.19 113.70 101.89 1wh4 s SER 3 Ca 0.00 0.87 0.00 0.00 1.31 0.00 0.00 55.95 58.13 1wh4 s SER 3 Cb 0.00 0.75 0.00 0.00 0.21 0.00 0.00 66.02 66.98 1wh4 s SER 3 CO 0.00 -0.47 0.00 0.61 0.41 0.00 0.00 173.24 173.79 1wh4 n GLY 4 N 1.38 3.02 0.07 3.44 0.00 -1.26 -5.10 105.19 106.74 1wh4 n GLY 4 Ca -0.17 -0.92 -0.05 0.00 0.00 0.00 0.00 46.02 44.89 1wh4 n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1wh4 h SER 5 N 0.00 -0.03 -0.40 1.61 0.87 -2.03 -3.48 113.55 110.08 1wh4 h SER 5 Ca 0.00 -0.27 -0.17 0.00 -1.23 0.00 0.00 61.79 60.11 1wh4 h SER 5 Cb 0.00 0.01 -0.07 0.00 -0.44 0.00 0.00 62.40 61.90 1wh4 h SER 5 CO 0.00 0.60 -0.16 -1.20 -0.53 0.00 0.00 176.83 175.54 1wh4 n SER 6 N -4.76 -4.60 -3.62 6.23 7.64 -1.26 -4.96 113.62 108.29 1wh4 n SER 6 Ca -0.03 0.21 -0.29 0.00 1.01 0.00 0.00 58.87 59.77 1wh4 n SER 6 Cb 0.15 -2.85 -0.12 0.00 -1.01 0.00 0.00 64.21 60.38 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 -2.58 1.59 0.00 0.23 0.00 -1.26 -5.03 107.32 100.27 1wh4 s GLY 7 Ca 0.00 -2.61 0.00 0.00 0.00 0.00 0.00 44.72 42.11 1wh4 s GLY 7 CO 0.00 1.71 0.00 -0.13 0.00 0.00 0.00 173.10 174.68 1wh4 n MET 8 N 3.25 0.00 -4.15 2.90 0.00 -1.26 -4.65 117.12 113.21 1wh4 n MET 8 Ca 0.16 0.00 -0.16 0.00 0.00 0.00 0.00 57.70 57.69 1wh4 n MET 8 Cb 0.38 0.00 -0.05 0.00 0.00 0.00 0.00 33.22 33.55 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 -1.00 1.18 0.36 6.12 2.47 -1.26 -4.85 114.94 117.96 1wh4 s ASN 9 Ca 0.00 -1.59 -0.28 0.00 0.42 0.00 0.00 52.86 51.41 1wh4 s ASN 9 Cb 0.00 0.64 -0.11 0.00 -1.45 0.00 0.00 41.25 40.33 1wh4 s ASN 9 CO 0.00 -1.24 1.47 -0.75 -3.72 0.00 0.00 177.10 172.86 1wh4 s LYS 10 N -3.13 4.16 0.08 0.43 2.47 -1.26 -5.02 119.74 117.46 1wh4 s LYS 10 Ca 0.34 2.51 -0.01 0.00 -1.56 0.00 0.00 55.97 57.24 1wh4 s LYS 10 Cb 0.00 -3.00 0.02 0.00 -1.46 0.00 0.00 37.83 33.40 1wh4 s LYS 10 CO 0.23 -0.48 0.09 -0.35 0.16 0.00 0.00 175.35 175.00 1wh4 n PRO 11 N 0.77 -0.56 -1.66 4.03 -0.04 -1.26 -4.95 135.00 131.33 1wh4 n PRO 11 Ca 0.02 -0.14 -0.42 0.00 -0.04 0.00 0.00 63.50 62.91 1wh4 n PRO 11 Cb 0.39 -0.11 -0.03 0.00 -0.04 0.00 0.00 33.50 33.71 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 4.13 -4.76 1.53 7.99 -1.22 -4.95 117.00 119.72 1wh4 n LEU 12 Ca 0.01 0.88 -0.35 0.00 -0.01 0.00 0.00 56.01 56.54 1wh4 n LEU 12 Cb 0.04 -1.52 0.03 0.00 -0.11 0.00 0.00 43.42 41.86 1wh4 n LEU 12 CO 0.03 0.17 0.81 0.42 -1.51 0.00 0.00 177.39 177.30 1wh4 s THR 13 N 4.61 2.87 0.32 -5.08 -4.23 -1.26 -4.61 115.64 108.26 1wh4 s THR 13 Ca 0.90 0.52 0.02 0.00 -1.18 0.00 0.00 61.69 61.95 1wh4 s THR 13 Cb -0.44 -3.17 0.17 0.00 1.34 0.00 0.00 72.50 70.41 1wh4 s THR 13 CO 0.42 -0.14 1.88 1.55 -0.54 0.00 0.00 174.62 177.80 1wh4 h PRO 14 N 0.84 0.66 0.00 3.99 0.13 -1.92 -1.14 132.00 134.56 1wh4 h PRO 14 Ca -0.50 -0.12 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 1wh4 h PRO 14 Cb 1.28 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1wh4 h PRO 14 CO 0.55 0.61 0.00 -1.13 -0.23 0.00 0.00 178.00 177.80 1wh4 n SER 15 N -4.31 0.00 -4.76 1.44 3.41 -1.26 -0.51 113.62 107.63 1wh4 n SER 15 Ca 0.03 -0.02 -0.38 0.00 -0.26 0.00 0.00 58.87 58.23 1wh4 n SER 15 Cb 0.21 -0.26 0.01 0.00 -0.26 0.00 0.00 64.21 63.90 1wh4 n SER 15 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1wh4 s THR 16 N -2.53 2.51 0.15 6.66 2.01 -0.43 -4.85 115.64 119.16 1wh4 s THR 16 Ca 0.18 0.41 -0.16 0.00 0.31 0.00 0.00 61.69 62.43 1wh4 s THR 16 Cb 0.12 -3.22 -0.07 0.00 0.01 0.00 0.00 72.50 69.34 1wh4 s THR 16 CO 0.28 0.02 0.59 -0.31 -0.69 0.00 0.00 174.62 174.51 1wh4 s TYR 17 N -1.34 3.65 0.29 4.92 1.51 -1.26 -0.32 117.35 124.80 1wh4 s TYR 17 Ca 0.64 1.18 -0.01 0.00 -1.01 0.00 0.00 57.07 57.86 1wh4 s TYR 17 Cb -0.37 -2.45 0.46 0.00 -0.11 0.00 0.00 41.96 39.49 1wh4 s TYR 17 CO 0.45 0.44 1.92 0.82 -1.11 0.00 0.00 175.55 178.07 1wh4 h ILE 18 N 2.93 1.12 -0.16 2.71 1.08 -1.83 -0.43 117.51 122.93 1wh4 h ILE 18 Ca -0.49 -0.38 0.05 0.00 -0.39 0.00 0.00 64.86 63.65 1wh4 h ILE 18 Cb 1.20 -0.09 -0.01 0.00 -3.07 0.00 0.00 36.82 34.85 1wh4 h ILE 18 CO 0.65 0.20 0.19 0.08 -0.69 0.00 0.00 178.15 178.59 1wh4 h ARG 19 N 1.11 0.00 0.00 2.37 -0.00 -1.79 -1.12 114.38 114.96 1wh4 h ARG 19 Ca 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.36 1wh4 h ARG 19 Cb 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.06 1wh4 h ARG 19 CO -0.13 0.00 0.00 -1.71 -0.00 0.00 0.00 179.97 178.13 1wh4 n ASN 20 N -3.73 0.77 -4.69 0.08 2.85 -0.17 -4.81 115.26 105.55 1wh4 n ASN 20 Ca 0.01 0.63 -0.42 0.00 -0.11 0.00 0.00 54.58 54.69 1wh4 n ASN 20 Cb 0.31 -0.82 -0.03 0.00 1.24 0.00 0.00 39.78 40.49 1wh4 n ASN 20 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1wh4 s LEU 21 N -4.58 4.31 0.85 1.20 1.43 -0.43 -4.99 118.68 116.49 1wh4 s LEU 21 Ca 0.07 1.93 -0.12 0.00 -1.03 0.00 0.00 54.13 54.98 1wh4 s LEU 21 Cb 0.10 -3.56 0.11 0.00 0.03 0.00 0.00 46.19 42.87 1wh4 s LEU 21 CO 0.49 -0.59 1.18 0.59 0.23 0.00 0.00 176.35 178.25 1wh4 n ASN 22 N 4.92 0.75 -0.21 2.29 4.13 -1.26 -4.63 115.26 121.25 1wh4 n ASN 22 Ca 0.11 0.52 0.11 0.00 1.68 0.00 0.00 54.58 57.00 1wh4 n ASN 22 Cb 0.46 -1.50 0.41 0.00 -1.54 0.00 0.00 39.78 37.61 1wh4 n ASN 22 CO 0.00 0.00 0.00 1.62 0.28 0.00 0.00 177.26 179.16 1wh4 h VAL 23 N -1.30 0.89 -0.02 2.41 3.04 -1.97 0.33 116.25 119.62 1wh4 h VAL 23 Ca -0.45 -0.22 0.02 0.00 -1.01 0.00 0.00 66.70 65.05 1wh4 h VAL 23 Cb 1.29 0.20 -0.03 0.00 -2.01 0.00 0.00 31.29 30.74 1wh4 h VAL 23 CO 0.44 0.12 -0.11 1.23 -1.01 0.00 0.00 177.57 178.23 1wh4 h GLY 24 N 0.63 -0.11 1.01 3.17 0.00 -1.99 0.78 103.07 106.56 1wh4 h GLY 24 Ca 0.38 0.13 -0.01 0.00 0.00 0.00 0.00 47.33 47.82 1wh4 h GLY 24 CO -0.14 -0.12 0.39 -2.22 0.00 0.00 0.00 176.54 174.45 1wh4 h ILE 25 N -0.18 1.22 -0.74 2.60 1.08 -1.35 0.88 117.51 121.02 1wh4 h ILE 25 Ca 0.05 -0.54 -0.01 0.00 -0.39 0.00 0.00 64.86 63.97 1wh4 h ILE 25 Cb 0.24 0.28 -0.04 0.00 -3.07 0.00 0.00 36.82 34.24 1wh4 h ILE 25 CO -0.13 0.24 0.43 -0.07 -0.69 0.00 0.00 178.15 177.93 1wh4 h LEU 26 N 0.97 0.89 -0.44 1.44 3.38 -0.73 0.39 115.31 121.22 1wh4 h LEU 26 Ca 0.25 -0.06 -0.14 0.00 0.09 0.00 0.00 57.88 58.03 1wh4 h LEU 26 Cb 0.03 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 1wh4 h LEU 26 CO -0.04 0.70 -0.27 0.03 0.09 0.00 0.00 178.44 178.95 1wh4 h ARG 27 N 1.02 0.95 0.37 1.13 2.47 -0.16 -1.23 114.38 118.93 1wh4 h ARG 27 Ca 0.26 -0.44 -0.01 0.00 -1.26 0.00 0.00 59.98 58.53 1wh4 h ARG 27 Cb -0.02 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.28 1wh4 h ARG 27 CO -0.05 1.11 -0.24 0.87 0.56 0.00 0.00 179.97 182.22 1wh4 h LYS 28 N 0.79 -0.56 -0.17 0.04 1.57 0.05 0.29 116.57 118.57 1wh4 h LYS 28 Ca 0.09 0.04 0.05 0.00 -1.87 0.00 0.00 60.65 58.96 1wh4 h LYS 28 Cb 0.85 0.13 -0.06 0.00 0.08 0.00 0.00 32.23 33.23 1wh4 h LYS 28 CO 0.08 -0.38 -0.24 -0.07 -0.57 0.00 0.00 179.45 178.27 1wh4 h LEU 29 N -0.58 -0.75 -1.38 2.94 -0.00 -1.03 -2.12 115.31 112.39 1wh4 h LEU 29 Ca -0.04 0.13 0.18 0.00 -0.00 0.00 0.00 57.88 58.15 1wh4 h LEU 29 Cb 0.49 0.34 -0.07 0.00 -0.00 0.00 0.00 40.66 41.42 1wh4 h LEU 29 CO 0.03 -0.28 0.59 -1.28 -0.00 0.00 0.00 178.44 177.49 1wh4 h SER 30 N -0.28 0.53 0.35 -0.43 0.87 -0.87 0.57 113.55 114.30 1wh4 h SER 30 Ca 0.11 0.05 -0.03 0.00 -1.23 0.00 0.00 61.79 60.69 1wh4 h SER 30 Cb 0.45 -0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 62.36 1wh4 h SER 30 CO -0.33 0.23 -0.13 -0.78 -0.53 0.00 0.00 176.83 175.29 1wh4 h ASP 31 N 0.54 0.00 0.00 6.23 3.58 -0.24 0.23 116.42 126.76 1wh4 h ASP 31 Ca 0.47 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.92 1wh4 h ASP 31 Cb 0.98 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.03 1wh4 h ASP 31 CO -0.21 0.13 -1.63 0.49 -2.88 0.00 0.00 179.24 175.14 1wh4 n PHE 32 N -3.73 0.00 0.29 0.28 3.72 -0.11 -4.53 117.46 113.38 1wh4 n PHE 32 Ca -0.02 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.48 1wh4 n PHE 32 Cb 0.24 -0.32 -0.14 0.00 -0.94 0.00 0.00 39.48 38.32 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 -1.98 0.00 0.30 4.37 2.08 0.00 -4.25 119.36 119.89 1wh4 n ILE 33 Ca -0.03 -0.33 -0.16 0.00 0.56 0.00 0.00 62.75 62.79 1wh4 n ILE 33 Cb 0.36 0.34 -0.08 0.00 -0.75 0.00 0.00 39.64 39.51 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 -0.62 -3.62 4.38 3.58 -1.17 -0.55 116.42 118.42 1wh4 h ASP 34 Ca 0.00 -0.01 -0.45 0.00 0.42 0.00 0.00 57.03 56.99 1wh4 h ASP 34 Cb 0.79 0.16 0.18 0.00 1.72 0.00 0.00 39.33 42.18 1wh4 h ASP 34 CO 0.00 -0.39 0.12 -2.16 -2.88 0.00 0.00 179.24 173.93 1wh4 s PRO 35 N -5.75 -0.16 -0.29 0.28 0.04 -1.26 -3.59 135.00 124.27 1wh4 s PRO 35 Ca -0.16 0.65 0.00 0.00 0.04 0.00 0.00 61.00 61.53 1wh4 s PRO 35 Cb 0.03 -1.66 0.00 0.00 0.04 0.00 0.00 34.50 32.92 1wh4 s PRO 35 CO 0.60 -3.16 0.00 1.04 0.04 0.00 0.00 177.00 175.52 1wh4 n GLN 36 N -4.50 -1.90 -4.11 4.56 6.02 -1.26 -1.29 117.38 114.90 1wh4 n GLN 36 Ca 0.04 0.50 -0.34 0.00 -0.01 0.00 0.00 57.00 57.19 1wh4 n GLN 36 Cb 0.56 -4.67 -0.01 0.00 1.02 0.00 0.00 30.24 27.14 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 0.35 -3.62 -0.34 -1.09 1.02 -1.24 -4.87 120.64 110.84 1wh4 n GLU 37 Ca -0.03 0.42 0.03 0.00 -0.02 0.00 0.00 57.16 57.56 1wh4 n GLU 37 Cb 0.43 -5.19 0.20 0.00 -0.02 0.00 0.00 31.44 26.86 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 -1.56 1.43 0.99 0.62 0.00 -0.63 -1.39 103.07 102.54 1wh4 h GLY 38 Ca -0.57 -0.46 0.00 0.00 0.00 0.00 0.00 47.33 46.30 1wh4 h GLY 38 CO 0.74 0.34 0.26 0.11 0.00 0.00 0.00 176.54 178.00 1wh4 h TRP 39 N 1.14 0.53 -0.61 5.60 5.08 -1.39 -0.79 115.95 125.51 1wh4 h TRP 39 Ca 0.41 0.01 0.03 0.00 1.08 0.00 0.00 58.89 60.42 1wh4 h TRP 39 Cb 0.14 -0.18 -0.04 0.00 -3.00 0.00 0.00 29.16 26.08 1wh4 h TRP 39 CO -0.00 0.36 0.37 0.87 -1.28 0.00 0.00 178.44 178.75 1wh4 h LYS 40 N 0.55 0.70 0.25 0.12 1.57 -1.57 0.52 116.57 118.70 1wh4 h LYS 40 Ca 0.15 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 1wh4 h LYS 40 Cb -0.03 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.12 1wh4 h LYS 40 CO -0.03 0.46 -0.12 0.87 -0.57 0.00 0.00 179.45 180.06 1wh4 h LYS 41 N 0.72 -0.32 -0.15 3.15 1.57 -0.99 -1.59 116.57 118.96 1wh4 h LYS 41 Ca 0.25 0.02 0.05 0.00 -1.87 0.00 0.00 60.65 59.10 1wh4 h LYS 41 Cb 0.05 0.07 -0.06 0.00 0.08 0.00 0.00 32.23 32.38 1wh4 h LYS 41 CO -0.12 -0.08 -0.25 1.25 -0.57 0.00 0.00 179.45 179.69 1wh4 h LEU 42 N -0.52 -0.76 -0.43 2.94 6.46 -0.92 0.57 115.31 122.64 1wh4 h LEU 42 Ca -0.03 0.12 0.09 0.00 -0.12 0.00 0.00 57.88 57.94 1wh4 h LEU 42 Cb 0.39 0.34 -0.09 0.00 -0.73 0.00 0.00 40.66 40.57 1wh4 h LEU 42 CO 0.06 -0.29 -0.21 0.00 -0.62 0.00 0.00 178.44 177.37 1wh4 h ALA 43 N 0.65 0.10 0.00 1.25 0.00 -0.77 -0.37 119.26 120.12 1wh4 h ALA 43 Ca 0.11 0.15 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 1wh4 h ALA 43 Cb 0.46 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1wh4 h ALA 43 CO -0.32 -0.57 -0.32 -0.39 0.00 0.00 0.00 179.25 177.65 1wh4 h VAL 44 N -0.13 0.66 -0.12 0.00 -1.51 -0.90 -3.15 116.25 111.10 1wh4 h VAL 44 Ca 0.21 -1.52 -0.16 0.00 -1.23 0.00 0.00 66.70 64.00 1wh4 h VAL 44 Cb 0.45 2.01 -0.01 0.00 -2.13 0.00 0.00 31.29 31.61 1wh4 h VAL 44 CO -0.51 0.31 -0.62 0.00 -1.23 0.00 0.00 177.57 175.52 1wh4 h ALA 45 N 1.68 0.71 -2.98 5.19 0.00 0.16 -3.44 119.26 120.58 1wh4 h ALA 45 Ca -0.00 -0.55 -0.54 0.00 0.00 0.00 0.00 54.91 53.81 1wh4 h ALA 45 Cb 0.99 -0.08 0.12 0.00 0.00 0.00 0.00 17.79 18.82 1wh4 h ALA 45 CO 0.04 0.72 0.65 0.42 0.00 0.00 0.00 179.25 181.08 1wh4 s ILE 46 N -3.81 2.15 0.24 0.00 1.01 -0.25 -5.04 121.20 115.50 1wh4 s ILE 46 Ca -0.06 0.12 0.05 0.00 0.00 0.00 0.00 60.65 60.77 1wh4 s ILE 46 Cb 0.11 -3.07 -0.05 0.00 0.01 0.00 0.00 42.46 39.46 1wh4 s ILE 46 CO 0.83 0.01 -0.05 -0.54 0.00 0.00 0.00 174.94 175.19 1wh4 s LYS 47 N -2.64 1.40 0.76 2.79 -0.14 -1.26 -4.03 119.74 116.62 1wh4 s LYS 47 Ca 0.65 -1.69 -0.12 0.00 -1.36 0.00 0.00 55.97 53.45 1wh4 s LYS 47 Cb -0.41 -0.90 0.05 0.00 -1.68 0.00 0.00 37.83 34.88 1wh4 s LYS 47 CO 0.51 0.01 1.11 0.15 -0.76 0.00 0.00 175.35 176.37 1wh4 s LYS 48 N -3.77 2.40 0.00 1.68 1.02 0.76 -4.64 119.74 117.19 1wh4 s LYS 48 Ca 0.27 0.44 0.19 0.00 0.02 0.00 0.00 55.97 56.89 1wh4 s LYS 48 Cb 0.04 -1.97 1.16 0.00 -0.52 0.00 0.00 37.83 36.54 1wh4 s LYS 48 CO 0.09 -1.36 1.58 -0.35 -0.92 0.00 0.00 175.35 174.39 1wh4 n PRO 49 N -3.22 0.71 0.05 -1.68 -0.04 -1.26 -0.99 135.00 128.57 1wh4 n PRO 49 Ca 0.07 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.64 1wh4 n PRO 49 Cb 0.58 -1.43 -0.09 0.00 -0.04 0.00 0.00 33.50 32.52 1wh4 n PRO 49 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wh4 n SER 50 N -0.93 0.43 0.00 3.54 7.64 -1.26 -4.99 113.62 118.05 1wh4 n SER 50 Ca 0.15 0.17 0.00 0.00 1.01 0.00 0.00 58.87 60.19 1wh4 n SER 50 Cb 0.07 1.20 0.00 0.00 -1.01 0.00 0.00 64.21 64.47 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 1.23 0.88 3.94 0.23 0.00 -0.16 -5.12 105.19 106.19 1wh4 n GLY 51 Ca -0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.06 4.15 0.34 1.61 1.01 -1.26 -4.80 116.67 115.67 1wh4 s ASP 52 Ca 0.00 0.31 -0.27 0.00 0.71 0.00 0.00 52.55 53.30 1wh4 s ASP 52 Cb 0.00 -0.70 -0.09 0.00 1.01 0.00 0.00 42.92 43.14 1wh4 s ASP 52 CO 0.00 -2.05 1.13 -1.81 0.21 0.00 0.00 175.17 172.65 1wh4 s ASP 53 N -4.68 6.93 -0.07 0.27 1.01 -1.26 -0.17 116.67 118.70 1wh4 s ASP 53 Ca 0.66 2.30 -0.24 0.00 0.71 0.00 0.00 52.55 55.97 1wh4 s ASP 53 Cb -0.08 -2.62 -0.27 0.00 1.01 0.00 0.00 42.92 40.96 1wh4 s ASP 53 CO 0.48 -0.39 0.93 0.03 0.21 0.00 0.00 175.17 176.43 1wh4 h ARG 54 N 3.23 0.20 -2.81 8.23 3.08 -1.82 -3.42 114.38 121.07 1wh4 h ARG 54 Ca -0.48 -0.28 -0.61 0.00 0.07 0.00 0.00 59.98 58.68 1wh4 h ARG 54 Cb 1.22 0.10 -0.42 0.00 0.08 0.00 0.00 29.97 30.95 1wh4 h ARG 54 CO 0.65 1.07 -0.61 0.66 -1.07 0.00 0.00 179.97 180.67 1wh4 n TYR 55 N -4.36 3.02 -0.56 3.04 4.01 -1.26 -5.04 117.16 116.01 1wh4 n TYR 55 Ca -0.11 -4.20 -0.29 0.00 -0.16 0.00 0.00 57.90 53.13 1wh4 n TYR 55 Cb 0.63 -0.55 0.26 0.00 -0.31 0.00 0.00 39.34 39.37 1wh4 n TYR 55 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1wh4 s ASN 56 N -1.61 0.28 0.58 7.72 3.84 -1.26 -4.60 114.94 119.90 1wh4 s ASN 56 Ca 0.29 1.19 0.28 0.00 0.21 0.00 0.00 52.86 54.83 1wh4 s ASN 56 Cb 0.01 -1.81 1.61 0.00 -0.55 0.00 0.00 41.25 40.51 1wh4 s ASN 56 CO -0.13 -4.58 2.07 -0.61 -2.79 0.00 0.00 177.10 171.05 1wh4 h GLN 57 N -2.89 0.00 -0.18 0.43 5.75 -1.98 0.75 115.11 116.99 1wh4 h GLN 57 Ca -0.55 0.00 0.02 0.00 -0.15 0.00 0.00 58.65 57.97 1wh4 h GLN 57 Cb 1.34 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.87 1wh4 h GLN 57 CO 0.43 0.00 0.07 0.35 -2.65 0.00 0.00 178.83 177.02 1wh4 h PHE 58 N 0.00 0.12 -0.38 3.99 3.57 -2.00 -0.57 116.94 121.66 1wh4 h PHE 58 Ca 0.11 0.01 -0.16 0.00 3.53 0.00 0.00 57.97 61.46 1wh4 h PHE 58 Cb 0.59 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.30 1wh4 h PHE 58 CO 0.00 0.06 -0.38 0.45 -2.23 0.00 0.00 178.31 176.21 1wh4 h HIS 59 N 0.15 1.12 -0.26 0.41 3.86 -1.18 -2.28 115.15 116.98 1wh4 h HIS 59 Ca 0.08 -0.34 0.05 0.00 -1.16 0.00 0.00 60.37 59.01 1wh4 h HIS 59 Cb 0.04 -0.24 -0.05 0.00 1.06 0.00 0.00 27.41 28.23 1wh4 h HIS 59 CO -0.11 1.17 -0.08 0.82 0.86 0.00 0.00 177.93 180.58 1wh4 h ILE 60 N 0.75 0.70 -0.56 2.45 1.08 -1.25 0.11 117.51 120.80 1wh4 h ILE 60 Ca 0.06 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.58 1wh4 h ILE 60 Cb 0.98 0.70 -0.05 0.00 -3.07 0.00 0.00 36.82 35.38 1wh4 h ILE 60 CO 0.09 0.00 0.28 0.03 -0.69 0.00 0.00 178.15 177.87 1wh4 h ARG 61 N -0.03 0.52 -0.44 2.37 2.47 -0.97 0.20 114.38 118.51 1wh4 h ARG 61 Ca 0.13 -0.03 0.08 0.00 -1.26 0.00 0.00 59.98 58.90 1wh4 h ARG 61 Cb 0.22 -0.12 -0.07 0.00 -1.65 0.00 0.00 29.97 28.35 1wh4 h ARG 61 CO -0.28 0.35 -0.02 0.00 0.56 0.00 0.00 179.97 180.58 1wh4 h ARG 62 N 0.54 0.09 -0.65 0.04 3.08 -0.73 -1.15 114.38 115.60 1wh4 h ARG 62 Ca 0.25 -0.01 -0.08 0.00 0.07 0.00 0.00 59.98 60.22 1wh4 h ARG 62 Cb 0.17 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.18 1wh4 h ARG 62 CO -0.18 0.06 0.10 0.74 -1.07 0.00 0.00 179.97 179.62 1wh4 h PHE 63 N 0.09 1.16 -0.87 3.04 0.04 0.02 -2.59 116.94 117.83 1wh4 h PHE 63 Ca 0.22 -0.17 0.10 0.00 2.80 0.00 0.00 57.97 60.93 1wh4 h PHE 63 Cb 0.32 -0.32 -0.08 0.00 2.20 0.00 0.00 35.95 38.08 1wh4 h PHE 63 CO -0.30 0.98 0.51 0.93 -0.60 0.00 0.00 178.31 179.83 1wh4 h GLU 64 N 1.00 0.82 0.00 1.51 5.08 -0.20 -1.05 114.58 121.75 1wh4 h GLU 64 Ca 0.20 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1wh4 h GLU 64 Cb 0.45 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 1wh4 h GLU 64 CO 0.01 0.54 -0.01 0.00 -1.00 0.00 0.00 179.01 178.55 1wh4 h ALA 65 N 1.48 1.41 0.31 3.43 0.00 -0.81 0.60 119.26 125.68 1wh4 h ALA 65 Ca 0.43 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.31 1wh4 h ALA 65 Cb 0.41 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1wh4 h ALA 65 CO -0.26 0.02 -0.15 -0.07 0.00 0.00 0.00 179.25 178.79 1wh4 h LEU 66 N 0.00 -0.35 -1.33 0.00 3.38 -1.17 -3.04 115.31 112.80 1wh4 h LEU 66 Ca -0.00 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 1wh4 h LEU 66 Cb 0.04 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1wh4 h LEU 66 CO 0.00 0.13 0.11 0.17 0.09 0.00 0.00 178.44 178.94 1wh4 h LEU 67 N -1.02 0.51 0.00 1.67 8.10 -1.03 0.14 115.31 123.68 1wh4 h LEU 67 Ca -0.04 -0.07 0.00 0.00 0.11 0.00 0.00 57.88 57.88 1wh4 h LEU 67 Cb 0.46 -0.13 0.00 0.00 -0.44 0.00 0.00 40.66 40.54 1wh4 h LEU 67 CO 0.07 0.51 0.00 0.00 -4.11 0.00 0.00 178.44 174.91 1wh4 n GLN 68 N -4.35 0.24 0.00 0.17 6.02 0.15 -1.10 117.38 118.51 1wh4 n GLN 68 Ca 0.02 0.13 0.00 0.00 -0.01 0.00 0.00 57.00 57.14 1wh4 n GLN 68 Cb 0.18 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.94 1wh4 n GLN 68 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1wh4 n THR 69 N -1.26 0.76 0.00 5.09 -2.24 0.26 -5.03 114.28 111.87 1wh4 n THR 69 Ca 0.07 -0.82 0.00 0.00 -2.27 0.00 0.00 64.05 61.04 1wh4 n THR 69 Cb 0.11 0.64 0.00 0.00 -2.10 0.00 0.00 70.33 68.98 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 -0.38 2.60 3.77 3.38 0.00 0.06 -5.05 105.19 109.58 1wh4 n GLY 70 Ca 0.00 -0.03 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 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 3.69 -0.16 1.61 1.02 -0.30 -4.71 119.74 120.89 1wh4 s LYS 71 Ca 0.00 1.81 -0.29 0.00 0.02 0.00 0.00 55.97 57.51 1wh4 s LYS 71 Cb 0.00 -2.38 -0.03 0.00 -0.52 0.00 0.00 37.83 34.90 1wh4 s LYS 71 CO 0.00 -0.62 1.60 -1.12 -0.92 0.00 0.00 175.35 174.29 1wh4 s SER 72 N -1.34 6.52 0.40 2.83 0.01 -1.26 -2.35 113.70 118.52 1wh4 s SER 72 Ca 0.65 1.84 0.22 0.00 1.31 0.00 0.00 55.95 59.96 1wh4 s SER 72 Cb -0.29 -2.53 0.56 0.00 0.21 0.00 0.00 66.02 63.96 1wh4 s SER 72 CO 0.36 -1.10 1.67 1.55 0.41 0.00 0.00 173.24 176.12 1wh4 h PRO 73 N 10.12 0.00 0.25 12.44 0.13 -1.92 -3.25 132.00 149.77 1wh4 h PRO 73 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1wh4 h PRO 73 Cb 1.16 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 1wh4 h PRO 73 CO 0.98 0.22 -0.25 1.15 -0.23 0.00 0.00 178.00 179.88 1wh4 h THR 74 N 0.00 0.47 0.26 1.56 2.02 -1.91 -2.26 112.91 113.06 1wh4 h THR 74 Ca -0.00 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.18 1wh4 h THR 74 Cb 0.98 0.47 -0.03 0.00 -1.74 0.00 0.00 68.15 67.83 1wh4 h THR 74 CO 0.03 0.00 -0.34 0.00 0.37 0.00 0.00 175.52 175.58 1wh4 h GLU 76 N -0.65 -0.49 -0.32 0.00 4.39 -1.61 0.25 114.58 116.14 1wh4 h GLU 76 Ca -0.00 0.03 0.06 0.00 0.34 0.00 0.00 59.36 59.79 1wh4 h GLU 76 Cb 0.62 0.11 -0.06 0.00 -0.10 0.00 0.00 28.75 29.33 1wh4 h GLU 76 CO -0.11 -0.33 -0.06 1.25 -1.16 0.00 0.00 179.01 178.61 1wh4 h LEU 77 N -0.51 -0.25 -0.12 1.33 5.85 -1.18 0.61 115.31 121.04 1wh4 h LEU 77 Ca 0.03 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 1wh4 h LEU 77 Cb 0.53 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 1wh4 h LEU 77 CO -0.16 -0.08 0.06 -0.07 -0.34 0.00 0.00 178.44 177.85 1wh4 h LEU 78 N 0.02 0.16 -0.15 2.25 3.38 -0.85 -0.24 115.31 119.88 1wh4 h LEU 78 Ca 0.15 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1wh4 h LEU 78 Cb 0.23 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1wh4 h LEU 78 CO -0.31 0.22 0.10 0.15 0.09 0.00 0.00 178.44 178.69 1wh4 h PHE 79 N 0.09 0.18 -0.21 1.13 3.04 -0.36 -0.15 116.94 120.67 1wh4 h PHE 79 Ca 0.04 0.00 -0.13 0.00 3.98 0.00 0.00 57.97 61.87 1wh4 h PHE 79 Cb 0.10 -0.06 -0.01 0.00 2.56 0.00 0.00 35.95 38.53 1wh4 h PHE 79 CO -0.04 0.11 -0.42 0.22 -2.02 0.00 0.00 178.31 176.17 1wh4 h ASP 80 N 0.20 0.54 0.38 0.41 1.82 -0.89 0.06 116.42 118.93 1wh4 h ASP 80 Ca 0.06 -0.24 -0.08 0.00 -0.39 0.00 0.00 57.03 56.38 1wh4 h ASP 80 Cb -0.02 -0.15 -0.01 0.00 0.68 0.00 0.00 39.33 39.83 1wh4 h ASP 80 CO -0.02 0.89 -0.38 -0.25 -1.61 0.00 0.00 179.24 177.87 1wh4 h TRP 81 N 0.41 0.01 -0.09 0.28 7.01 -0.78 0.16 115.95 122.96 1wh4 h TRP 81 Ca 0.03 -0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.03 1wh4 h TRP 81 Cb 0.91 -0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 27.96 1wh4 h TRP 81 CO 0.03 0.39 0.05 0.78 -2.79 0.00 0.00 178.44 176.90 1wh4 h GLY 82 N 1.15 0.13 1.65 2.65 0.00 -0.26 -2.26 103.07 106.13 1wh4 h GLY 82 Ca -0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 47.33 47.26 1wh4 h GLY 82 CO 0.05 0.06 0.19 -0.84 0.00 0.00 0.00 176.54 176.00 1wh4 h THR 83 N 0.06 1.11 0.00 4.70 2.02 -0.32 -1.01 112.91 119.47 1wh4 h THR 83 Ca 0.03 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 66.95 1wh4 h THR 83 Cb 0.07 0.64 0.00 0.00 -1.74 0.00 0.00 68.15 67.11 1wh4 h THR 83 CO -0.01 0.11 0.00 0.41 0.37 0.00 0.00 175.52 176.41 1wh4 n THR 84 N -4.45 0.78 -0.51 3.16 -1.04 0.51 -4.91 114.28 107.82 1wh4 n THR 84 Ca 0.02 0.13 0.00 0.00 -2.04 0.00 0.00 64.05 62.16 1wh4 n THR 84 Cb 0.09 -1.01 0.00 0.00 -1.82 0.00 0.00 70.33 67.59 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 -2.11 -0.29 -5.00 8.00 5.03 -0.38 -5.06 115.26 115.44 1wh4 n ASN 85 Ca 0.03 0.00 -0.18 0.00 0.87 0.00 0.00 54.58 55.30 1wh4 n ASN 85 Cb 0.26 -0.13 0.01 0.00 -1.02 0.00 0.00 39.78 38.90 1wh4 n ASN 85 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1wh4 s THR 87 N -2.33 2.54 0.27 0.00 -4.23 -1.26 -3.02 115.64 107.61 1wh4 s THR 87 Ca 0.53 -2.30 -0.03 0.00 -1.18 0.00 0.00 61.69 58.71 1wh4 s THR 87 Cb -0.10 -2.44 0.27 0.00 1.34 0.00 0.00 72.50 71.57 1wh4 s THR 87 CO 0.33 -0.35 1.90 0.58 -0.54 0.00 0.00 174.62 176.54 1wh4 h VAL 88 N 2.16 1.13 -0.75 2.29 2.07 -0.37 -1.72 116.25 121.05 1wh4 h VAL 88 Ca -0.41 -0.41 -0.05 0.00 0.82 0.00 0.00 66.70 66.65 1wh4 h VAL 88 Cb 1.26 -0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 1wh4 h VAL 88 CO 0.62 0.22 0.28 1.23 0.02 0.00 0.00 177.57 179.94 1wh4 h GLY 89 N 1.20 1.22 0.95 2.17 0.00 -1.04 -0.80 103.07 106.77 1wh4 h GLY 89 Ca 0.41 -0.69 0.01 0.00 0.00 0.00 0.00 47.33 47.06 1wh4 h GLY 89 CO -0.14 0.65 0.33 -1.80 0.00 0.00 0.00 176.54 175.57 1wh4 h ASP 90 N 1.10 0.55 0.37 0.19 1.82 -1.59 -0.58 116.42 118.28 1wh4 h ASP 90 Ca 0.25 -0.01 -0.00 0.00 -0.39 0.00 0.00 57.03 56.88 1wh4 h ASP 90 Cb 0.25 -0.13 -0.02 0.00 0.68 0.00 0.00 39.33 40.11 1wh4 h ASP 90 CO -0.02 0.40 -0.35 0.25 -1.61 0.00 0.00 179.24 177.92 1wh4 h LEU 91 N 0.66 -0.93 -0.44 2.28 5.85 -0.81 -1.45 115.31 120.48 1wh4 h LEU 91 Ca 0.20 0.08 0.09 0.00 0.84 0.00 0.00 57.88 59.09 1wh4 h LEU 91 Cb -0.04 0.31 -0.09 0.00 0.37 0.00 0.00 40.66 41.22 1wh4 h LEU 91 CO -0.06 -0.49 -0.14 0.58 -0.34 0.00 0.00 178.44 177.98 1wh4 h VAL 92 N -0.73 0.50 0.04 1.05 2.07 -0.94 0.21 116.25 118.46 1wh4 h VAL 92 Ca -0.03 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.52 1wh4 h VAL 92 Cb 0.65 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 30.88 1wh4 h VAL 92 CO -0.05 0.00 -0.27 0.44 0.02 0.00 0.00 177.57 177.71 1wh4 h ASP 93 N -0.04 -0.80 -0.33 0.57 5.19 -0.78 0.33 116.42 120.55 1wh4 h ASP 93 Ca 0.21 0.10 -0.08 0.00 -0.62 0.00 0.00 57.03 56.64 1wh4 h ASP 93 Cb 0.36 0.32 -0.02 0.00 0.18 0.00 0.00 39.33 40.18 1wh4 h ASP 93 CO -0.47 -0.35 -0.07 -0.07 -3.12 0.00 0.00 179.24 175.16 1wh4 h LEU 94 N -0.44 0.72 -0.34 1.55 3.38 -1.08 -2.11 115.31 116.98 1wh4 h LEU 94 Ca 0.05 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1wh4 h LEU 94 Cb 0.51 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1wh4 h LEU 94 CO -0.21 0.83 0.22 -0.07 0.09 0.00 0.00 178.44 179.31 1wh4 h LEU 95 N 0.68 0.40 -0.90 1.67 3.38 0.38 -1.55 115.31 119.36 1wh4 h LEU 95 Ca 0.12 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1wh4 h LEU 95 Cb 0.52 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.13 1wh4 h LEU 95 CO 0.03 0.30 0.52 0.58 0.09 0.00 0.00 178.44 179.96 1wh4 h VAL 96 N 0.46 1.25 0.00 1.22 2.07 -0.87 0.52 116.25 120.91 1wh4 h VAL 96 Ca 0.13 -0.59 -0.01 0.00 0.82 0.00 0.00 66.70 67.05 1wh4 h VAL 96 Cb -0.04 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.73 1wh4 h VAL 96 CO -0.03 0.28 -0.03 0.06 0.02 0.00 0.00 177.57 177.87 1wh4 h GLN 97 N 1.25 0.00 -0.51 1.57 3.07 -0.66 -0.47 115.11 119.37 1wh4 h GLN 97 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.06 1wh4 h GLN 97 Cb -0.02 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.54 1wh4 h GLN 97 CO -0.06 0.03 0.00 0.44 0.09 0.00 0.00 178.83 179.34 1wh4 n ILE 98 N -3.55 1.16 -0.99 1.86 -5.35 -0.65 -4.97 119.36 106.87 1wh4 n ILE 98 Ca -0.02 -1.07 0.00 0.00 -0.27 0.00 0.00 62.75 61.38 1wh4 n ILE 98 Cb 0.13 0.42 0.00 0.00 -1.74 0.00 0.00 39.64 38.45 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 0.91 -0.18 -1.88 6.28 2.13 -0.18 -4.93 120.64 122.79 1wh4 n GLU 99 Ca 0.18 0.04 -0.41 0.00 0.66 0.00 0.00 57.16 57.63 1wh4 n GLU 99 Cb 0.57 -3.14 -0.00 0.00 0.27 0.00 0.00 31.44 29.13 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 0.00 7.28 -0.04 4.31 7.99 0.10 -4.75 117.00 131.89 1wh4 n LEU 100 Ca 0.00 -4.43 -0.09 0.00 -0.01 0.00 0.00 56.01 51.48 1wh4 n LEU 100 Cb 0.04 -1.55 0.07 0.00 -0.11 0.00 0.00 43.42 41.88 1wh4 n LEU 100 CO 0.00 1.48 0.59 -0.26 -1.51 0.00 0.00 177.39 177.69 1wh4 h PHE 101 N 5.57 0.80 0.22 -1.77 0.04 -1.91 -2.90 116.94 116.99 1wh4 h PHE 101 Ca 0.59 -0.23 0.00 0.00 2.80 0.00 0.00 57.97 61.13 1wh4 h PHE 101 Cb 0.53 -0.17 -0.03 0.00 2.20 0.00 0.00 35.95 38.48 1wh4 h PHE 101 CO 1.49 0.95 -0.43 0.00 -0.60 0.00 0.00 178.31 179.72 1wh4 h ALA 102 N 1.02 -0.98 -0.01 2.45 0.00 -1.97 1.00 119.26 120.76 1wh4 h ALA 102 Ca 0.05 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1wh4 h ALA 102 Cb 0.91 0.76 -0.01 0.00 0.00 0.00 0.00 17.79 19.45 1wh4 h ALA 102 CO 0.08 -1.06 -0.22 -1.00 0.00 0.00 0.00 179.25 177.05 1wh4 h PRO 103 N -0.70 0.02 0.29 0.00 0.13 -1.94 -1.05 132.00 128.75 1wh4 h PRO 103 Ca -0.02 -0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.09 1wh4 h PRO 103 Cb 0.66 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.79 1wh4 h PRO 103 CO -0.17 0.24 -0.15 0.00 -0.23 0.00 0.00 178.00 177.69 1wh4 h ALA 104 N 1.76 -0.41 -0.42 -0.56 0.00 -1.27 -2.97 119.26 115.39 1wh4 h ALA 104 Ca 0.00 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1wh4 h ALA 104 Cb 0.40 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1wh4 h ALA 104 CO 0.03 -0.73 0.14 1.15 0.00 0.00 0.00 179.25 179.83 1wh4 h THR 105 N -0.42 1.17 -0.64 0.00 2.02 -0.16 0.81 112.91 115.70 1wh4 h THR 105 Ca -0.04 -0.57 -0.04 0.00 0.77 0.00 0.00 66.41 66.53 1wh4 h THR 105 Cb 0.33 0.71 -0.03 0.00 -1.74 0.00 0.00 68.15 67.42 1wh4 h THR 105 CO 0.05 0.22 0.25 0.25 0.37 0.00 0.00 175.52 176.66 1wh4 h LEU 106 N 0.60 0.85 0.01 2.58 5.85 -1.09 -2.09 115.31 122.02 1wh4 h LEU 106 Ca 0.14 -0.12 -0.09 0.00 0.84 0.00 0.00 57.88 58.66 1wh4 h LEU 106 Cb 0.17 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 1wh4 h LEU 106 CO -0.01 0.77 -0.47 -0.07 -0.34 0.00 0.00 178.44 178.32 1wh4 h LEU 107 N 0.92 0.04 -6.22 2.25 3.38 -1.27 -3.44 115.31 110.96 1wh4 h LEU 107 Ca 0.21 -0.85 -0.45 0.00 0.09 0.00 0.00 57.88 56.88 1wh4 h LEU 107 Cb 0.19 -0.01 -0.33 0.00 0.09 0.00 0.00 40.66 40.60 1wh4 h LEU 107 CO -0.02 1.19 -0.79 -0.22 0.09 0.00 0.00 178.44 178.69 1wh4 s LEU 108 N -8.07 0.44 0.53 1.67 2.96 0.23 -3.40 118.68 113.04 1wh4 s LEU 108 Ca -0.22 -2.22 0.29 0.00 -0.22 0.00 0.00 54.13 51.76 1wh4 s LEU 108 Cb 0.00 0.23 1.48 0.00 0.50 0.00 0.00 46.19 48.40 1wh4 s LEU 108 CO 0.67 -0.21 2.06 1.55 -1.32 0.00 0.00 176.35 179.11 1wh4 h PRO 109 N 6.29 0.00 0.00 0.98 0.13 -1.56 -2.19 132.00 135.64 1wh4 h PRO 109 Ca 0.13 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.17 1wh4 h PRO 109 Cb 1.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.12 1wh4 h PRO 109 CO 0.24 0.10 -0.41 -0.44 -0.23 0.00 0.00 178.00 177.27 1wh4 h ASP 110 N 0.00 0.00 0.03 1.44 3.32 -1.94 -3.35 116.42 115.92 1wh4 h ASP 110 Ca -0.00 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.97 1wh4 h ASP 110 Cb 0.37 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.93 1wh4 h ASP 110 CO 0.01 0.41 -0.33 0.00 -1.72 0.00 0.00 179.24 177.61 1wh4 h ALA 111 N 1.59 0.00 -2.58 3.45 0.00 -1.77 -3.44 119.26 116.52 1wh4 h ALA 111 Ca -0.00 -0.53 -0.53 0.00 0.00 0.00 0.00 54.91 53.85 1wh4 h ALA 111 Cb 0.88 0.03 0.04 0.00 0.00 0.00 0.00 17.79 18.74 1wh4 h ALA 111 CO 0.05 0.14 0.94 0.54 0.00 0.00 0.00 179.25 180.93 1wh4 s VAL 112 N -2.80 2.59 -1.19 0.00 0.11 -1.25 -4.87 120.40 112.98 1wh4 s VAL 112 Ca -0.16 0.35 -0.19 0.00 -2.93 0.00 0.00 61.98 59.05 1wh4 s VAL 112 Cb 0.00 -3.22 -0.03 0.00 -1.53 0.00 0.00 36.38 31.60 1wh4 s VAL 112 CO 0.75 0.02 1.96 -0.81 -3.33 0.00 0.00 175.10 173.69 1wh4 n PRO 113 N 4.43 2.34 -3.11 1.54 -0.04 -1.26 -4.88 135.00 134.02 1wh4 n PRO 113 Ca 0.15 -2.58 -0.20 0.00 -0.04 0.00 0.00 63.50 60.83 1wh4 n PRO 113 Cb 0.38 -3.36 0.01 0.00 -0.04 0.00 0.00 33.50 30.50 1wh4 n PRO 113 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1wh4 s GLN 114 N 4.64 2.95 0.78 0.54 -0.21 -1.26 -5.12 119.66 121.99 1wh4 s GLN 114 Ca 0.56 -0.87 -0.11 0.00 0.02 0.00 0.00 55.36 54.96 1wh4 s GLN 114 Cb 0.08 -2.68 0.06 0.00 1.00 0.00 0.00 33.01 31.47 1wh4 s GLN 114 CO 0.06 -0.22 1.11 -0.08 -2.12 0.00 0.00 175.29 174.03 1wh4 s THR 115 N -2.41 3.09 0.16 -0.19 -1.32 -1.26 -5.08 115.64 108.64 1wh4 s THR 115 Ca 0.50 0.38 0.10 0.00 -1.21 0.00 0.00 61.69 61.46 1wh4 s THR 115 Cb -0.10 -2.79 -0.04 0.00 -1.51 0.00 0.00 72.50 68.05 1wh4 s THR 115 CO 0.35 -0.44 -0.21 0.68 -2.21 0.00 0.00 174.62 172.78 1wh4 s VAL 116 N -2.78 2.56 0.40 5.08 -7.23 -1.26 -5.13 120.40 112.05 1wh4 s VAL 116 Ca 0.63 -1.82 -0.24 0.00 -1.81 0.00 0.00 61.98 58.74 1wh4 s VAL 116 Cb -0.19 -2.20 -0.09 0.00 0.56 0.00 0.00 36.38 34.46 1wh4 s VAL 116 CO 0.54 -0.03 1.06 -0.54 -0.31 0.00 0.00 175.10 175.82 1wh4 s LYS 117 N -2.47 4.14 0.65 4.82 3.01 -1.26 -5.05 119.74 123.57 1wh4 s LYS 117 Ca 0.19 1.55 -0.13 0.00 -1.01 0.00 0.00 55.97 56.57 1wh4 s LYS 117 Cb -0.09 -2.55 -0.01 0.00 -1.01 0.00 0.00 37.83 34.17 1wh4 s LYS 117 CO 0.10 -0.17 1.06 0.45 0.51 0.00 0.00 175.35 177.30 1wh4 s SER 118 N -1.52 5.51 0.32 2.83 0.15 -1.26 -4.92 113.70 114.81 1wh4 s SER 118 Ca 0.58 1.74 0.00 0.00 0.70 0.00 0.00 55.95 58.97 1wh4 s SER 118 Cb -0.23 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.56 1wh4 s SER 118 CO 0.29 -1.35 0.00 0.18 1.20 0.00 0.00 173.24 173.55 1wh4 n LEU 119 N -2.60 -0.55 -4.65 3.45 4.32 -1.26 -4.98 117.00 110.73 1wh4 n LEU 119 Ca 0.08 1.26 -0.29 0.00 -0.02 0.00 0.00 56.01 57.05 1wh4 n LEU 119 Cb 0.53 -1.54 0.20 0.00 -1.62 0.00 0.00 43.42 40.99 1wh4 n LEU 119 CO 0.51 -1.06 0.63 -2.16 -1.22 0.00 0.00 177.39 174.09 1wh4 s PRO 120 N -3.73 -0.10 1.30 3.23 0.04 -1.26 -5.07 135.00 129.41 1wh4 s PRO 120 Ca 0.00 0.35 -0.22 0.00 0.04 0.00 0.00 61.00 61.17 1wh4 s PRO 120 Cb 0.00 -1.69 0.32 0.00 0.04 0.00 0.00 34.50 33.17 1wh4 s PRO 120 CO 0.00 -3.05 1.06 -2.14 0.04 0.00 0.00 177.00 172.91 1wh4 s PRO 121 N -5.07 -1.98 0.13 0.56 0.02 -1.26 -4.98 135.00 122.42 1wh4 s PRO 121 Ca 0.67 -0.13 -0.32 0.00 0.02 0.00 0.00 61.00 61.25 1wh4 s PRO 121 Cb -0.17 -1.51 -0.09 0.00 0.02 0.00 0.00 34.50 32.75 1wh4 s PRO 121 CO 0.57 -4.20 1.56 0.66 -0.33 0.00 0.00 177.00 175.27 1wh4 h SER 122 N -2.93 -1.59 0.00 2.53 4.64 -2.03 -3.46 113.55 110.71 1wh4 h SER 122 Ca -0.42 0.20 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 1wh4 h SER 122 Cb 1.30 0.64 0.00 0.00 -0.31 0.00 0.00 62.40 64.02 1wh4 h SER 122 CO 0.28 -0.45 0.00 0.61 -0.87 0.00 0.00 176.83 176.40 1wh4 n GLY 123 N -1.43 0.33 3.57 -0.77 0.00 -1.26 -5.07 105.19 100.56 1wh4 n GLY 123 Ca -0.05 0.57 -0.32 0.00 0.00 0.00 0.00 46.02 46.22 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 2.96 0.07 1.61 0.04 -1.26 -4.93 135.00 133.49 1wh4 s PRO 124 Ca 0.00 -0.90 0.06 0.00 0.04 0.00 0.00 61.00 60.20 1wh4 s PRO 124 Cb 0.00 -5.23 -0.04 0.00 0.04 0.00 0.00 34.50 29.27 1wh4 s PRO 124 CO 0.00 -3.11 -0.09 -1.12 0.04 0.00 0.00 177.00 172.72 1wh4 s SER 125 N 6.50 4.47 0.00 6.66 0.01 -1.26 -4.98 113.70 125.10 1wh4 s SER 125 Ca 0.62 -0.31 0.00 0.00 1.31 0.00 0.00 55.95 57.57 1wh4 s SER 125 Cb -0.02 -0.92 0.00 0.00 0.21 0.00 0.00 66.02 65.29 1wh4 s SER 125 CO 0.01 0.21 0.00 -0.24 0.41 0.00 0.00 173.24 173.63 1wh4 n SER 126 N 0.96 0.00 0.00 2.44 2.88 -1.26 -5.02 113.62 113.62 1wh4 n SER 126 Ca -0.14 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.40 1wh4 n SER 126 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 1wh4 n SER 126 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42