#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 -8.54 -0.81 1.61 7.64 -1.26 -5.05 113.62 107.22 1wh4 n SER 2 Ca 0.00 0.94 0.06 0.00 1.01 0.00 0.00 58.87 60.88 1wh4 n SER 2 Cb 0.00 -4.60 -0.02 0.00 -1.01 0.00 0.00 64.21 58.59 1wh4 n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wh4 n SER 3 N -4.34 -4.81 0.00 6.43 7.64 -1.26 -5.10 113.62 112.18 1wh4 n SER 3 Ca -0.03 0.48 0.00 0.00 1.01 0.00 0.00 58.87 60.33 1wh4 n SER 3 Cb 0.68 -1.43 0.00 0.00 -1.01 0.00 0.00 64.21 62.45 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 -1.39 0.85 0.30 0.23 0.00 -1.26 -4.98 105.19 98.95 1wh4 n GLY 4 Ca 0.00 -1.84 -0.12 0.00 0.00 0.00 0.00 46.02 44.06 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 -0.64 -3.24 1.61 0.87 -1.95 -3.50 113.55 106.70 1wh4 h SER 5 Ca 0.00 0.02 0.35 0.00 -1.23 0.00 0.00 61.79 60.93 1wh4 h SER 5 Cb 0.00 0.16 -0.14 0.00 -0.44 0.00 0.00 62.40 61.99 1wh4 h SER 5 CO 0.00 -0.38 -0.86 -1.20 -0.53 0.00 0.00 176.83 173.86 1wh4 n SER 6 N -4.42 -8.12 -2.67 6.23 7.64 -1.26 -5.11 113.62 105.91 1wh4 n SER 6 Ca -0.09 0.98 -0.09 0.00 1.01 0.00 0.00 58.87 60.68 1wh4 n SER 6 Cb 0.30 -4.52 0.02 0.00 -1.01 0.00 0.00 64.21 59.00 1wh4 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wh4 n GLY 7 N -4.16 1.16 0.48 0.23 0.00 -1.26 -5.08 105.19 96.56 1wh4 n GLY 7 Ca -0.04 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.71 1wh4 n GLY 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1wh4 n MET 8 N -0.50 0.00 -0.76 1.61 0.00 -1.26 -4.92 117.12 111.29 1wh4 n MET 8 Ca -0.07 0.00 -0.31 0.00 0.00 0.00 0.00 57.70 57.32 1wh4 n MET 8 Cb 0.55 0.00 0.16 0.00 0.00 0.00 0.00 33.22 33.94 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 0.00 2.95 0.41 7.83 2.47 -1.26 -4.94 114.94 122.40 1wh4 s ASN 9 Ca 0.00 2.07 -0.26 0.00 0.42 0.00 0.00 52.86 55.09 1wh4 s ASN 9 Cb 0.00 -2.53 -0.09 0.00 -1.45 0.00 0.00 41.25 37.18 1wh4 s ASN 9 CO 0.00 -3.07 1.36 -0.54 -3.72 0.00 0.00 177.10 171.13 1wh4 s LYS 10 N -4.67 3.93 0.00 0.43 1.02 -1.26 -5.04 119.74 114.14 1wh4 s LYS 10 Ca 0.66 2.27 0.00 0.00 0.02 0.00 0.00 55.97 58.93 1wh4 s LYS 10 Cb -0.22 -2.77 0.00 0.00 -0.52 0.00 0.00 37.83 34.32 1wh4 s LYS 10 CO 0.58 -0.57 0.00 -0.35 -0.92 0.00 0.00 175.35 174.09 1wh4 n PRO 11 N 0.11 0.97 -1.63 -1.68 -0.04 -1.26 -4.96 135.00 126.51 1wh4 n PRO 11 Ca 0.04 0.00 -0.44 0.00 -0.04 0.00 0.00 63.50 63.05 1wh4 n PRO 11 Cb 0.42 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.87 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 2.45 -4.79 1.53 7.99 -1.26 -4.98 117.00 117.94 1wh4 n LEU 12 Ca 0.00 1.18 -0.33 0.00 -0.01 0.00 0.00 56.01 56.85 1wh4 n LEU 12 Cb 0.00 -1.36 0.02 0.00 -0.11 0.00 0.00 43.42 41.98 1wh4 n LEU 12 CO 0.00 -1.00 0.73 0.42 -1.51 0.00 0.00 177.39 176.03 1wh4 s THR 13 N -0.82 3.59 0.41 -5.08 -4.23 -1.26 -4.78 115.64 103.47 1wh4 s THR 13 Ca 0.61 0.75 0.20 0.00 -1.18 0.00 0.00 61.69 62.07 1wh4 s THR 13 Cb -0.67 -3.28 0.21 0.00 1.34 0.00 0.00 72.50 70.10 1wh4 s THR 13 CO 0.58 -0.45 1.99 1.55 -0.54 0.00 0.00 174.62 177.76 1wh4 h PRO 14 N 0.30 0.00 0.00 3.99 0.13 -1.92 -1.17 132.00 133.32 1wh4 h PRO 14 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1wh4 h PRO 14 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1wh4 h PRO 14 CO 0.56 0.19 0.00 -1.13 -0.23 0.00 0.00 178.00 177.39 1wh4 n SER 15 N -3.98 0.00 -4.75 1.44 3.41 -1.26 -0.75 113.62 107.73 1wh4 n SER 15 Ca -0.02 -0.13 -0.38 0.00 -0.26 0.00 0.00 58.87 58.08 1wh4 n SER 15 Cb 0.27 -0.25 0.03 0.00 -0.26 0.00 0.00 64.21 64.00 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 -2.50 2.19 0.36 6.66 2.01 -0.44 -4.86 115.64 119.05 1wh4 s THR 16 Ca 0.24 0.15 -0.13 0.00 0.31 0.00 0.00 61.69 62.25 1wh4 s THR 16 Cb 0.16 -3.08 -0.08 0.00 0.01 0.00 0.00 72.50 69.51 1wh4 s THR 16 CO 0.35 0.00 0.75 -0.31 -0.69 0.00 0.00 174.62 174.72 1wh4 s TYR 17 N -1.32 3.41 0.19 4.92 1.51 -1.26 -0.47 117.35 124.33 1wh4 s TYR 17 Ca 0.69 1.16 -0.12 0.00 -1.01 0.00 0.00 57.07 57.79 1wh4 s TYR 17 Cb -0.39 -2.51 0.11 0.00 -0.11 0.00 0.00 41.96 39.05 1wh4 s TYR 17 CO 0.47 0.01 1.86 0.82 -1.11 0.00 0.00 175.55 177.60 1wh4 h ILE 18 N 1.63 1.16 0.00 2.71 1.08 -1.85 -1.54 117.51 120.70 1wh4 h ILE 18 Ca -0.48 -0.29 0.00 0.00 -0.39 0.00 0.00 64.86 63.71 1wh4 h ILE 18 Cb 1.18 0.24 0.00 0.00 -3.07 0.00 0.00 36.82 35.17 1wh4 h ILE 18 CO 0.65 0.15 0.00 -2.11 -0.69 0.00 0.00 178.15 176.15 1wh4 n ARG 19 N -4.66 0.12 0.13 2.37 1.85 -1.26 -1.35 116.66 113.87 1wh4 n ARG 19 Ca 0.05 0.50 0.12 0.00 -1.00 0.00 0.00 57.85 57.52 1wh4 n ARG 19 Cb 0.02 -1.81 0.19 0.00 -1.05 0.00 0.00 32.46 29.81 1wh4 n ARG 19 CO 0.00 0.00 0.00 -0.97 -0.01 0.00 0.00 177.63 176.65 1wh4 h ASN 20 N 0.00 0.00 -3.25 2.89 -1.24 -1.66 -3.47 115.58 108.85 1wh4 h ASN 20 Ca 0.00 -0.05 -0.53 0.00 0.71 0.00 0.00 56.30 56.44 1wh4 h ASN 20 Cb 0.15 0.00 0.02 0.00 0.73 0.00 0.00 38.32 39.21 1wh4 h ASN 20 CO 0.00 0.02 0.62 -0.76 -1.29 0.00 0.00 177.43 176.02 1wh4 s LEU 21 N -5.20 4.40 0.71 0.34 1.43 -0.45 -5.00 118.68 114.90 1wh4 s LEU 21 Ca 0.06 2.21 -0.11 0.00 -1.03 0.00 0.00 54.13 55.26 1wh4 s LEU 21 Cb 0.10 -3.59 0.02 0.00 0.03 0.00 0.00 46.19 42.74 1wh4 s LEU 21 CO 0.69 -0.50 1.07 0.21 0.23 0.00 0.00 176.35 178.06 1wh4 s ASN 22 N 0.72 5.07 0.41 2.29 2.47 -1.26 -4.74 114.94 119.90 1wh4 s ASN 22 Ca 0.58 1.74 0.08 0.00 0.42 0.00 0.00 52.86 55.69 1wh4 s ASN 22 Cb -0.33 -2.51 0.87 0.00 -1.45 0.00 0.00 41.25 37.83 1wh4 s ASN 22 CO 0.33 -1.65 2.03 1.62 -3.72 0.00 0.00 177.10 175.70 1wh4 h VAL 23 N -0.70 1.05 -0.95 -5.21 3.04 -1.98 0.26 116.25 111.76 1wh4 h VAL 23 Ca -0.44 -0.19 0.01 0.00 -1.01 0.00 0.00 66.70 65.06 1wh4 h VAL 23 Cb 1.22 0.44 -0.05 0.00 -2.01 0.00 0.00 31.29 30.90 1wh4 h VAL 23 CO 0.55 0.10 0.62 1.23 -1.01 0.00 0.00 177.57 179.06 1wh4 h GLY 24 N 0.56 1.34 0.63 3.17 0.00 -1.99 -0.32 103.07 106.46 1wh4 h GLY 24 Ca 0.20 -0.50 -0.06 0.00 0.00 0.00 0.00 47.33 46.97 1wh4 h GLY 24 CO -0.05 0.49 -0.17 -2.22 0.00 0.00 0.00 176.54 174.59 1wh4 h ILE 25 N 1.29 1.41 -0.68 2.60 1.08 -1.37 -1.21 117.51 120.63 1wh4 h ILE 25 Ca 0.35 -1.49 0.14 0.00 -0.39 0.00 0.00 64.86 63.47 1wh4 h ILE 25 Cb -0.14 2.19 -0.12 0.00 -3.07 0.00 0.00 36.82 35.67 1wh4 h ILE 25 CO -0.07 0.42 -0.11 -0.07 -0.69 0.00 0.00 178.15 177.63 1wh4 h LEU 26 N -0.22 -0.52 -0.45 1.44 3.38 -0.87 0.12 115.31 118.19 1wh4 h LEU 26 Ca 0.00 0.19 -0.17 0.00 0.09 0.00 0.00 57.88 57.99 1wh4 h LEU 26 Cb 0.77 0.38 -0.00 0.00 0.09 0.00 0.00 40.66 41.89 1wh4 h LEU 26 CO 0.04 -0.20 -0.64 0.03 0.09 0.00 0.00 178.44 177.75 1wh4 h ARG 27 N 0.03 0.50 -0.15 1.13 2.47 -1.01 -0.10 114.38 117.25 1wh4 h ARG 27 Ca 0.34 -0.36 -0.01 0.00 -1.26 0.00 0.00 59.98 58.69 1wh4 h ARG 27 Cb 0.54 0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.91 1wh4 h ARG 27 CO -0.66 0.98 0.06 0.87 0.56 0.00 0.00 179.97 181.78 1wh4 h LYS 28 N 0.36 0.23 -0.40 0.04 1.79 -0.36 -1.37 116.57 116.86 1wh4 h LYS 28 Ca -0.01 -0.04 0.08 0.00 -2.18 0.00 0.00 60.65 58.49 1wh4 h LYS 28 Cb 1.20 -0.04 -0.07 0.00 -1.58 0.00 0.00 32.23 31.74 1wh4 h LYS 28 CO 0.12 0.31 -0.08 -0.07 -1.08 0.00 0.00 179.45 178.65 1wh4 h LEU 29 N 0.09 -0.33 -2.04 2.94 -0.00 -0.77 -0.75 115.31 114.46 1wh4 h LEU 29 Ca 0.05 0.11 0.12 0.00 -0.00 0.00 0.00 57.88 58.16 1wh4 h LEU 29 Cb 0.17 0.23 -0.02 0.00 -0.00 0.00 0.00 40.66 41.04 1wh4 h LEU 29 CO -0.00 -0.12 0.31 0.28 -0.00 0.00 0.00 178.44 178.91 1wh4 h SER 30 N 0.02 0.00 0.38 -0.43 0.02 -0.71 -1.84 113.55 110.98 1wh4 h SER 30 Ca 0.19 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.14 1wh4 h SER 30 Cb 0.29 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.83 1wh4 h SER 30 CO -0.39 0.00 -0.03 -0.78 -1.14 0.00 0.00 176.83 174.49 1wh4 h ASP 31 N 0.00 0.00 0.00 3.07 3.58 0.02 0.09 116.42 123.17 1wh4 h ASP 31 Ca 0.19 0.00 -0.19 0.00 0.42 0.00 0.00 57.03 57.45 1wh4 h ASP 31 Cb 0.81 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.82 1wh4 h ASP 31 CO -0.00 0.03 -1.84 0.49 -2.88 0.00 0.00 179.24 175.03 1wh4 n PHE 32 N -3.25 0.00 -0.01 0.28 3.72 -0.76 -4.73 117.46 112.72 1wh4 n PHE 32 Ca -0.02 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.49 1wh4 n PHE 32 Cb 0.18 -0.58 -0.16 0.00 -0.94 0.00 0.00 39.48 37.97 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 -2.39 0.00 0.13 4.37 2.08 -0.83 -4.25 119.36 118.47 1wh4 n ILE 33 Ca -0.18 -0.47 -0.13 0.00 0.56 0.00 0.00 62.75 62.53 1wh4 n ILE 33 Cb 0.82 0.03 -0.07 0.00 -0.75 0.00 0.00 39.64 39.67 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 -0.33 -3.58 4.38 1.82 -1.22 -0.64 116.42 116.84 1wh4 h ASP 34 Ca 0.00 0.03 -0.42 0.00 -0.39 0.00 0.00 57.03 56.25 1wh4 h ASP 34 Cb 0.95 0.11 0.19 0.00 0.68 0.00 0.00 39.33 41.25 1wh4 h ASP 34 CO 0.00 -0.20 0.19 -2.16 -1.61 0.00 0.00 179.24 175.45 1wh4 s PRO 35 N -6.14 -0.96 -0.50 0.28 0.04 -1.26 -4.33 135.00 122.14 1wh4 s PRO 35 Ca -0.15 -0.16 0.00 0.00 0.04 0.00 0.00 61.00 60.73 1wh4 s PRO 35 Cb 0.06 -1.64 0.00 0.00 0.04 0.00 0.00 34.50 32.96 1wh4 s PRO 35 CO 0.65 -3.52 0.00 1.04 0.04 0.00 0.00 177.00 175.21 1wh4 n GLN 36 N -4.60 -1.87 -2.19 4.56 6.02 -1.26 -1.38 117.38 116.65 1wh4 n GLN 36 Ca 0.14 0.65 -0.13 0.00 -0.01 0.00 0.00 57.00 57.65 1wh4 n GLN 36 Cb 0.60 -5.08 -0.02 0.00 1.02 0.00 0.00 30.24 26.76 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 0.20 -1.97 -0.34 -1.09 1.02 -1.26 -4.88 120.64 112.31 1wh4 n GLU 37 Ca -0.05 0.66 0.11 0.00 -0.02 0.00 0.00 57.16 57.87 1wh4 n GLU 37 Cb 0.53 -5.19 0.31 0.00 -0.02 0.00 0.00 31.44 27.07 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 1.64 0.85 0.62 0.00 -1.14 -0.04 103.07 105.00 1wh4 h GLY 38 Ca -0.30 -0.37 -0.01 0.00 0.00 0.00 0.00 47.33 46.65 1wh4 h GLY 38 CO 0.37 0.02 0.05 0.11 0.00 0.00 0.00 176.54 177.09 1wh4 h TRP 39 N 0.81 0.23 -0.81 5.60 5.08 -1.36 -0.66 115.95 124.84 1wh4 h TRP 39 Ca 0.54 -0.02 0.06 0.00 1.08 0.00 0.00 58.89 60.55 1wh4 h TRP 39 Cb 0.78 -0.07 -0.06 0.00 -3.00 0.00 0.00 29.16 26.81 1wh4 h TRP 39 CO -0.00 0.34 0.49 0.87 -1.28 0.00 0.00 178.44 178.85 1wh4 h LYS 40 N 0.05 0.87 -0.09 0.12 1.57 -1.52 0.95 116.57 118.51 1wh4 h LYS 40 Ca 0.05 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1wh4 h LYS 40 Cb 0.22 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.33 1wh4 h LYS 40 CO -0.00 0.58 0.02 0.87 -0.57 0.00 0.00 179.45 180.34 1wh4 h LYS 41 N 0.90 0.15 -0.33 3.15 1.57 -0.77 -0.25 116.57 120.99 1wh4 h LYS 41 Ca 0.36 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 59.08 1wh4 h LYS 41 Cb 0.18 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1wh4 h LYS 41 CO -0.18 0.34 0.12 1.25 -0.57 0.00 0.00 179.45 180.41 1wh4 h LEU 42 N -0.06 0.46 -0.02 2.94 7.12 -0.88 -1.15 115.31 123.72 1wh4 h LEU 42 Ca 0.03 -0.18 0.03 0.00 0.13 0.00 0.00 57.88 57.89 1wh4 h LEU 42 Cb 0.26 -0.12 -0.04 0.00 -0.53 0.00 0.00 40.66 40.22 1wh4 h LEU 42 CO 0.00 0.52 -0.21 0.00 -0.13 0.00 0.00 178.44 178.62 1wh4 h ALA 43 N 0.96 -0.26 0.00 1.25 0.00 -0.52 -0.80 119.26 119.89 1wh4 h ALA 43 Ca 0.11 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1wh4 h ALA 43 Cb 0.21 0.38 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1wh4 h ALA 43 CO -0.01 -0.70 -0.03 -0.24 0.00 0.00 0.00 179.25 178.27 1wh4 h VAL 44 N -0.33 0.08 0.00 0.00 3.04 -1.05 -2.33 116.25 115.66 1wh4 h VAL 44 Ca 0.07 -0.70 -0.11 0.00 -1.01 0.00 0.00 66.70 64.95 1wh4 h VAL 44 Cb 0.42 1.65 -0.02 0.00 -2.01 0.00 0.00 31.29 31.33 1wh4 h VAL 44 CO -0.21 0.03 -0.51 0.00 -1.01 0.00 0.00 177.57 175.88 1wh4 h ALA 45 N 1.97 0.83 -1.31 3.17 0.00 -0.34 -3.42 119.26 120.16 1wh4 h ALA 45 Ca -0.00 -0.46 -0.49 0.00 0.00 0.00 0.00 54.91 53.96 1wh4 h ALA 45 Cb 0.64 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 1wh4 h ALA 45 CO 0.00 0.63 1.20 0.42 0.00 0.00 0.00 179.25 181.50 1wh4 s ILE 46 N -3.33 3.51 0.06 0.00 1.01 -0.39 -4.97 121.20 117.10 1wh4 s ILE 46 Ca 0.01 0.10 -0.12 0.00 0.00 0.00 0.00 60.65 60.64 1wh4 s ILE 46 Cb 0.10 -4.30 -0.06 0.00 0.01 0.00 0.00 42.46 38.22 1wh4 s ILE 46 CO 0.73 -1.25 0.41 -0.54 0.00 0.00 0.00 174.94 174.29 1wh4 s LYS 47 N 6.54 3.83 0.93 2.79 3.01 -1.26 -1.81 119.74 133.76 1wh4 s LYS 47 Ca 0.57 0.28 -0.11 0.00 -1.01 0.00 0.00 55.97 55.70 1wh4 s LYS 47 Cb -0.10 -3.06 0.09 0.00 -1.01 0.00 0.00 37.83 33.75 1wh4 s LYS 47 CO 0.14 0.60 0.77 1.63 0.51 0.00 0.00 175.35 178.99 1wh4 n LYS 48 N 1.19 -0.37 -0.20 1.68 5.02 0.12 -4.84 118.16 120.76 1wh4 n LYS 48 Ca -0.10 -0.05 0.01 0.00 -2.02 0.00 0.00 58.31 56.15 1wh4 n LYS 48 Cb 0.52 -2.11 0.10 0.00 -0.02 0.00 0.00 35.03 33.53 1wh4 n LYS 48 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 1wh4 h PRO 49 N -1.72 0.18 0.00 1.97 0.11 -1.99 -0.85 132.00 129.70 1wh4 h PRO 49 Ca -0.43 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1wh4 h PRO 49 Cb 1.28 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1wh4 h PRO 49 CO 0.38 0.12 0.00 0.43 -0.21 0.00 0.00 178.00 178.71 1wh4 n SER 50 N -5.20 0.00 -0.24 -2.05 7.64 -1.26 -4.83 113.62 107.67 1wh4 n SER 50 Ca 0.09 0.19 0.00 0.00 1.01 0.00 0.00 58.87 60.16 1wh4 n SER 50 Cb 0.34 -0.26 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 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 -0.87 0.87 3.50 0.23 0.00 -0.32 -5.09 105.19 103.51 1wh4 n GLY 51 Ca 0.02 -0.60 -0.33 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.79 4.28 -0.15 1.61 1.01 -1.25 -4.93 116.67 114.45 1wh4 s ASP 52 Ca 0.00 -0.15 -0.29 0.00 0.71 0.00 0.00 52.55 52.82 1wh4 s ASP 52 Cb 0.00 -1.10 -0.04 0.00 1.01 0.00 0.00 42.92 42.79 1wh4 s ASP 52 CO 0.00 0.32 1.71 -1.81 0.21 0.00 0.00 175.17 175.60 1wh4 s ASP 53 N -0.57 6.39 0.21 0.27 1.01 -1.26 0.11 116.67 122.82 1wh4 s ASP 53 Ca 0.08 1.92 -0.05 0.00 0.71 0.00 0.00 52.55 55.22 1wh4 s ASP 53 Cb -0.12 -2.53 0.18 0.00 1.01 0.00 0.00 42.92 41.47 1wh4 s ASP 53 CO 0.02 -1.20 1.63 -0.09 0.21 0.00 0.00 175.17 175.73 1wh4 h ARG 54 N 10.75 0.78 -2.87 8.23 2.43 -1.66 -3.38 114.38 128.67 1wh4 h ARG 54 Ca -0.37 -0.31 -0.61 0.00 -0.81 0.00 0.00 59.98 57.87 1wh4 h ARG 54 Cb 1.18 -0.04 -0.41 0.00 -0.42 0.00 0.00 29.97 30.28 1wh4 h ARG 54 CO 0.98 0.93 -0.69 0.71 -1.51 0.00 0.00 179.97 180.38 1wh4 s TYR 55 N -4.62 2.82 1.11 2.20 2.02 -1.26 -5.03 117.35 114.60 1wh4 s TYR 55 Ca -0.09 -3.04 -0.16 0.00 -0.37 0.00 0.00 57.07 53.41 1wh4 s TYR 55 Cb 0.13 -2.17 0.24 0.00 -0.40 0.00 0.00 41.96 39.77 1wh4 s TYR 55 CO 0.84 -0.63 1.10 -0.80 -1.57 0.00 0.00 175.55 174.48 1wh4 s ASN 56 N -1.00 1.65 0.54 2.29 0.01 -1.26 -4.44 114.94 112.73 1wh4 s ASN 56 Ca 0.27 0.90 0.24 0.00 -0.71 0.00 0.00 52.86 53.56 1wh4 s ASN 56 Cb -0.02 -1.35 1.41 0.00 0.41 0.00 0.00 41.25 41.70 1wh4 s ASN 56 CO -0.18 -3.70 2.03 -0.61 -1.51 0.00 0.00 177.10 173.13 1wh4 h GLN 57 N -2.29 0.00 -0.42 -0.60 4.15 -1.98 -1.11 115.11 112.86 1wh4 h GLN 57 Ca -0.50 0.00 0.06 0.00 0.77 0.00 0.00 58.65 58.98 1wh4 h GLN 57 Cb 1.31 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.95 1wh4 h GLN 57 CO 0.46 0.00 0.12 0.35 -1.93 0.00 0.00 178.83 177.82 1wh4 h PHE 58 N 0.00 0.20 -0.45 3.99 3.57 -2.00 0.29 116.94 122.54 1wh4 h PHE 58 Ca 0.18 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.57 1wh4 h PHE 58 Cb 0.77 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.48 1wh4 h PHE 58 CO 0.00 0.05 -0.26 0.45 -2.23 0.00 0.00 178.31 176.32 1wh4 h HIS 59 N 0.26 1.12 -0.25 0.41 3.86 -1.54 -2.87 115.15 116.13 1wh4 h HIS 59 Ca 0.20 -0.29 0.00 0.00 -1.16 0.00 0.00 60.37 59.13 1wh4 h HIS 59 Cb 0.23 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.43 1wh4 h HIS 59 CO -0.18 1.11 0.16 0.82 0.86 0.00 0.00 177.93 180.70 1wh4 h ILE 60 N 0.82 1.07 -0.51 2.45 1.08 -1.19 0.48 117.51 121.71 1wh4 h ILE 60 Ca 0.10 -0.14 -0.01 0.00 -0.39 0.00 0.00 64.86 64.42 1wh4 h ILE 60 Cb 0.84 0.71 -0.03 0.00 -3.07 0.00 0.00 36.82 35.28 1wh4 h ILE 60 CO 0.07 0.07 0.29 0.03 -0.69 0.00 0.00 178.15 177.92 1wh4 h ARG 61 N 0.34 0.69 0.60 2.37 2.47 -0.92 0.21 114.38 120.13 1wh4 h ARG 61 Ca 0.09 -0.06 -0.03 0.00 -1.26 0.00 0.00 59.98 58.72 1wh4 h ARG 61 Cb -0.03 -0.14 0.01 0.00 -1.65 0.00 0.00 29.97 28.15 1wh4 h ARG 61 CO -0.02 0.50 -0.29 0.00 0.56 0.00 0.00 179.97 180.72 1wh4 h ARG 62 N 0.70 -0.77 -0.84 0.04 3.08 -1.19 -2.78 114.38 112.61 1wh4 h ARG 62 Ca 0.18 0.05 0.11 0.00 0.07 0.00 0.00 59.98 60.40 1wh4 h ARG 62 Cb -0.00 0.18 -0.06 0.00 0.08 0.00 0.00 29.97 30.16 1wh4 h ARG 62 CO -0.03 -0.50 0.55 0.74 -1.07 0.00 0.00 179.97 179.65 1wh4 h PHE 63 N -0.83 0.82 -0.93 3.04 0.04 -0.27 -0.67 116.94 118.13 1wh4 h PHE 63 Ca -0.08 0.02 0.06 0.00 2.80 0.00 0.00 57.97 60.77 1wh4 h PHE 63 Cb 0.63 -0.26 -0.06 0.00 2.20 0.00 0.00 35.95 38.45 1wh4 h PHE 63 CO -0.03 0.36 0.61 0.93 -0.60 0.00 0.00 178.31 179.58 1wh4 h GLU 64 N 0.74 1.06 0.00 1.51 5.08 -0.53 -1.37 114.58 121.07 1wh4 h GLU 64 Ca 0.40 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 1wh4 h GLU 64 Cb 0.52 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1wh4 h GLU 64 CO -0.16 0.70 0.00 0.00 -1.00 0.00 0.00 179.01 178.54 1wh4 h ALA 65 N 1.49 1.00 0.21 3.43 0.00 -0.83 -2.09 119.26 122.46 1wh4 h ALA 65 Ca 0.40 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.30 1wh4 h ALA 65 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1wh4 h ALA 65 CO -0.15 0.00 -0.10 -0.07 0.00 0.00 0.00 179.25 178.93 1wh4 h LEU 66 N 0.00 -0.24 -2.04 0.00 3.38 -1.29 -3.35 115.31 111.78 1wh4 h LEU 66 Ca 0.00 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 1wh4 h LEU 66 Cb 0.07 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 1wh4 h LEU 66 CO 0.00 0.28 -0.06 0.17 0.09 0.00 0.00 178.44 178.92 1wh4 h LEU 67 N -1.02 0.00 0.00 1.67 8.10 -1.27 -1.35 115.31 121.45 1wh4 h LEU 67 Ca -0.03 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.96 1wh4 h LEU 67 Cb 0.37 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.59 1wh4 h LEU 67 CO 0.05 0.06 0.00 0.00 -4.11 0.00 0.00 178.44 174.44 1wh4 n GLN 68 N -4.18 0.02 0.00 0.17 1.13 -0.83 -1.25 117.38 112.44 1wh4 n GLN 68 Ca -0.03 0.30 0.00 0.00 -1.94 0.00 0.00 57.00 55.34 1wh4 n GLN 68 Cb 0.14 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 28.99 1wh4 n GLN 68 CO 0.00 0.00 0.00 -2.37 -1.44 0.00 0.00 177.06 173.25 1wh4 n THR 69 N -1.47 0.00 0.00 5.09 5.66 -0.71 -5.04 114.28 117.82 1wh4 n THR 69 Ca 0.03 -0.37 0.00 0.00 -3.05 0.00 0.00 64.05 60.66 1wh4 n THR 69 Cb 0.11 1.17 0.00 0.00 -1.55 0.00 0.00 70.33 70.07 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 0.27 0.28 3.69 1.09 0.00 -0.38 -5.06 105.19 105.07 1wh4 n GLY 70 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1wh4 n GLY 70 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wh4 n LYS 71 N -1.73 2.84 -1.61 1.61 5.02 -0.62 -4.80 118.16 118.87 1wh4 n LYS 71 Ca 0.00 1.03 -0.49 0.00 -2.02 0.00 0.00 58.31 56.84 1wh4 n LYS 71 Cb 0.00 -2.94 -0.05 0.00 -0.02 0.00 0.00 35.03 32.02 1wh4 n LYS 71 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1wh4 n SER 72 N 5.77 3.04 0.24 4.39 7.64 -1.26 -2.77 113.62 130.67 1wh4 n SER 72 Ca 0.18 0.71 0.08 0.00 1.01 0.00 0.00 58.87 60.85 1wh4 n SER 72 Cb 0.38 -1.36 0.58 0.00 -1.01 0.00 0.00 64.21 62.80 1wh4 n SER 72 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1wh4 h PRO 73 N 10.90 0.00 -0.19 1.43 0.13 -1.88 -2.77 132.00 139.63 1wh4 h PRO 73 Ca -0.42 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.70 1wh4 h PRO 73 Cb 1.28 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 1wh4 h PRO 73 CO 0.97 0.17 0.08 1.15 -0.23 0.00 0.00 178.00 180.14 1wh4 h THR 74 N 0.00 1.16 -0.16 1.56 2.02 -1.88 0.18 112.91 115.79 1wh4 h THR 74 Ca -0.00 -0.47 -0.01 0.00 0.77 0.00 0.00 66.41 66.70 1wh4 h THR 74 Cb 0.35 1.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.87 1wh4 h THR 74 CO 0.02 0.15 0.06 0.00 0.37 0.00 0.00 175.52 176.13 1wh4 h GLU 76 N 0.11 0.55 0.33 0.00 4.39 -1.43 0.35 114.58 118.88 1wh4 h GLU 76 Ca 0.05 -0.10 -0.00 0.00 0.34 0.00 0.00 59.36 59.65 1wh4 h GLU 76 Cb 0.17 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 1wh4 h GLU 76 CO -0.00 0.53 -0.35 1.25 -1.16 0.00 0.00 179.01 179.28 1wh4 h LEU 77 N 0.45 -0.95 -1.07 1.33 5.85 -0.85 1.00 115.31 121.07 1wh4 h LEU 77 Ca 0.12 0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.93 1wh4 h LEU 77 Cb 0.18 0.33 -0.05 0.00 0.37 0.00 0.00 40.66 41.49 1wh4 h LEU 77 CO -0.01 -0.48 0.60 -0.07 -0.34 0.00 0.00 178.44 178.14 1wh4 h LEU 78 N -0.71 1.08 -0.04 2.25 3.38 -0.98 0.17 115.31 120.45 1wh4 h LEU 78 Ca -0.02 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1wh4 h LEU 78 Cb 0.65 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 1wh4 h LEU 78 CO -0.08 0.79 -0.00 0.15 0.09 0.00 0.00 178.44 179.39 1wh4 h PHE 79 N 1.26 0.07 -0.50 1.13 3.57 -0.60 -0.37 116.94 121.51 1wh4 h PHE 79 Ca 0.34 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.76 1wh4 h PHE 79 Cb -0.13 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.57 1wh4 h PHE 79 CO 0.00 0.39 0.07 0.22 -2.23 0.00 0.00 178.31 176.75 1wh4 h ASP 80 N -0.26 0.75 0.68 0.41 3.58 -0.67 -2.55 116.42 118.36 1wh4 h ASP 80 Ca 0.01 -0.15 -0.12 0.00 0.42 0.00 0.00 57.03 57.19 1wh4 h ASP 80 Cb 0.36 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 41.20 1wh4 h ASP 80 CO 0.00 0.78 -0.56 -0.25 -2.88 0.00 0.00 179.24 176.32 1wh4 h TRP 81 N 0.75 0.00 -0.25 0.28 7.01 -0.89 -2.57 115.95 120.28 1wh4 h TRP 81 Ca 0.16 0.00 0.07 0.00 2.11 0.00 0.00 58.89 61.23 1wh4 h TRP 81 Cb 0.36 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.41 1wh4 h TRP 81 CO 0.02 0.56 0.21 0.78 -2.79 0.00 0.00 178.44 177.23 1wh4 h GLY 82 N 1.92 0.00 0.87 2.65 0.00 -0.62 0.06 103.07 107.95 1wh4 h GLY 82 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1wh4 h GLY 82 CO 0.07 0.00 -0.59 -0.37 0.00 0.00 0.00 176.54 175.65 1wh4 n THR 83 N -4.14 0.02 0.36 4.70 5.66 -0.98 -3.71 114.28 116.19 1wh4 n THR 83 Ca 0.03 -0.02 0.14 0.00 -3.05 0.00 0.00 64.05 61.15 1wh4 n THR 83 Cb 0.36 0.33 0.47 0.00 -1.55 0.00 0.00 70.33 69.93 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 0.00 -3.78 1.09 2.02 -0.82 -3.48 112.91 107.94 1wh4 h THR 84 Ca 0.00 -0.54 -0.00 0.00 0.77 0.00 0.00 66.41 66.64 1wh4 h THR 84 Cb 0.52 1.47 0.00 0.00 -1.74 0.00 0.00 68.15 68.41 1wh4 h THR 84 CO 0.00 0.00 -0.01 0.59 0.37 0.00 0.00 175.52 176.47 1wh4 n ASN 85 N -2.72 -3.90 -4.36 4.18 3.02 -1.15 -5.11 115.26 105.22 1wh4 n ASN 85 Ca 0.03 -0.03 -0.29 0.00 -0.03 0.00 0.00 54.58 54.26 1wh4 n ASN 85 Cb 0.36 -2.41 -0.08 0.00 -0.61 0.00 0.00 39.78 37.04 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 -3.07 1.13 0.30 0.00 -4.23 -1.26 -3.69 115.64 104.82 1wh4 s THR 87 Ca 0.16 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.71 1wh4 s THR 87 Cb 0.02 -2.68 0.10 0.00 1.34 0.00 0.00 72.50 71.29 1wh4 s THR 87 CO 0.10 0.00 1.78 0.58 -0.54 0.00 0.00 174.62 176.54 1wh4 h VAL 88 N 1.97 1.24 -0.34 2.29 2.07 -0.59 -1.26 116.25 121.63 1wh4 h VAL 88 Ca -0.40 -1.07 -0.05 0.00 0.82 0.00 0.00 66.70 66.00 1wh4 h VAL 88 Cb 1.25 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 32.20 1wh4 h VAL 88 CO 0.68 0.35 -0.00 1.23 0.02 0.00 0.00 177.57 179.85 1wh4 h GLY 89 N 0.94 0.57 0.96 2.17 0.00 -1.19 0.38 103.07 106.91 1wh4 h GLY 89 Ca 0.08 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.08 1wh4 h GLY 89 CO 0.03 0.31 0.06 -1.80 0.00 0.00 0.00 176.54 175.14 1wh4 h ASP 90 N 0.50 0.09 0.35 0.19 1.82 -1.53 -2.00 116.42 115.84 1wh4 h ASP 90 Ca 0.11 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.74 1wh4 h ASP 90 Cb 0.33 -0.01 -0.01 0.00 0.68 0.00 0.00 39.33 40.32 1wh4 h ASP 90 CO 0.01 0.07 -0.27 0.25 -1.61 0.00 0.00 179.24 177.69 1wh4 h LEU 91 N 0.12 -0.71 -0.55 2.28 5.85 -0.52 -2.08 115.31 119.71 1wh4 h LEU 91 Ca 0.04 0.05 0.11 0.00 0.84 0.00 0.00 57.88 58.93 1wh4 h LEU 91 Cb 0.00 0.23 -0.10 0.00 0.37 0.00 0.00 40.66 41.16 1wh4 h LEU 91 CO -0.03 -0.41 -0.08 0.58 -0.34 0.00 0.00 178.44 178.17 1wh4 h VAL 92 N -0.62 0.50 -0.32 1.05 2.07 -0.94 0.42 116.25 118.41 1wh4 h VAL 92 Ca -0.03 -0.02 0.01 0.00 0.82 0.00 0.00 66.70 67.48 1wh4 h VAL 92 Cb 0.54 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 1wh4 h VAL 92 CO -0.01 0.01 0.20 -0.78 0.02 0.00 0.00 177.57 177.01 1wh4 h ASP 93 N 0.05 0.34 -0.53 0.57 3.58 -0.90 0.89 116.42 120.42 1wh4 h ASP 93 Ca 0.27 -0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.62 1wh4 h ASP 93 Cb 0.42 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.37 1wh4 h ASP 93 CO -0.52 0.25 -0.04 -0.07 -2.88 0.00 0.00 179.24 175.98 1wh4 h LEU 94 N 0.41 0.95 -0.23 2.28 3.38 -1.11 -2.23 115.31 118.76 1wh4 h LEU 94 Ca 0.12 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1wh4 h LEU 94 Cb -0.03 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 1wh4 h LEU 94 CO -0.04 1.05 0.15 -0.07 0.09 0.00 0.00 178.44 179.61 1wh4 h LEU 95 N 0.83 0.27 -1.19 1.67 3.38 -0.20 -1.40 115.31 118.68 1wh4 h LEU 95 Ca 0.15 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.11 1wh4 h LEU 95 Cb 0.58 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 1wh4 h LEU 95 CO 0.03 0.22 0.55 0.58 0.09 0.00 0.00 178.44 179.92 1wh4 h VAL 96 N 0.30 1.18 -0.62 1.22 2.07 -0.83 0.12 116.25 119.68 1wh4 h VAL 96 Ca 0.08 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 1wh4 h VAL 96 Cb -0.01 -0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 29.73 1wh4 h VAL 96 CO -0.02 0.20 0.35 -0.61 0.02 0.00 0.00 177.57 177.52 1wh4 h GLN 97 N 1.09 0.86 -0.05 1.57 4.15 -0.66 -1.57 115.11 120.51 1wh4 h GLN 97 Ca 0.32 -0.09 0.00 0.00 0.77 0.00 0.00 58.65 59.64 1wh4 h GLN 97 Cb -0.06 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 27.46 1wh4 h GLN 97 CO -0.08 0.64 0.00 0.44 -1.93 0.00 0.00 178.83 177.90 1wh4 n ILE 98 N -4.57 0.06 -0.95 2.39 -5.35 -0.62 -4.89 119.36 105.42 1wh4 n ILE 98 Ca 0.04 -0.09 0.00 0.00 -0.27 0.00 0.00 62.75 62.43 1wh4 n ILE 98 Cb 0.08 -0.10 0.00 0.00 -1.74 0.00 0.00 39.64 37.87 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 -0.48 0.00 -2.56 6.28 2.13 -0.59 -4.97 120.64 120.44 1wh4 n GLU 99 Ca 0.14 0.00 -0.43 0.00 0.66 0.00 0.00 57.16 57.53 1wh4 n GLU 99 Cb 0.13 -2.82 0.00 0.00 0.27 0.00 0.00 31.44 29.02 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 6.21 0.01 4.31 7.99 0.39 -4.78 117.00 131.13 1wh4 n LEU 100 Ca 0.00 -4.63 -0.13 0.00 -0.01 0.00 0.00 56.01 51.24 1wh4 n LEU 100 Cb 0.00 -1.51 -0.09 0.00 -0.11 0.00 0.00 43.42 41.71 1wh4 n LEU 100 CO 0.00 1.21 0.69 -0.26 -1.51 0.00 0.00 177.39 177.52 1wh4 h PHE 101 N 6.14 -0.02 -0.78 -1.77 0.04 -1.90 -3.11 116.94 115.53 1wh4 h PHE 101 Ca 0.36 -0.00 0.17 0.00 2.80 0.00 0.00 57.97 61.30 1wh4 h PHE 101 Cb 0.70 0.01 -0.14 0.00 2.20 0.00 0.00 35.95 38.72 1wh4 h PHE 101 CO 1.19 0.33 -0.08 0.00 -0.60 0.00 0.00 178.31 179.15 1wh4 h ALA 102 N 0.59 0.70 -0.30 2.45 0.00 -1.97 0.28 119.26 121.03 1wh4 h ALA 102 Ca -0.00 0.28 -0.18 0.00 0.00 0.00 0.00 54.91 55.00 1wh4 h ALA 102 Cb 0.37 0.51 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 1wh4 h ALA 102 CO 0.00 -0.43 -0.53 -1.00 0.00 0.00 0.00 179.25 177.29 1wh4 h PRO 103 N 0.05 0.87 -0.43 0.00 0.13 -1.94 -1.62 132.00 129.06 1wh4 h PRO 103 Ca 0.41 -0.54 0.08 0.00 -0.87 0.00 0.00 66.00 65.08 1wh4 h PRO 103 Cb 0.70 0.06 -0.07 0.00 0.13 0.00 0.00 31.00 31.82 1wh4 h PRO 103 CO -0.75 1.18 -0.02 0.00 -0.23 0.00 0.00 178.00 178.18 1wh4 h ALA 104 N 0.71 0.37 -0.33 -0.56 0.00 -0.87 -1.57 119.26 117.01 1wh4 h ALA 104 Ca 0.02 0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 1wh4 h ALA 104 Cb 1.14 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 1wh4 h ALA 104 CO 0.12 -0.41 -0.22 1.15 0.00 0.00 0.00 179.25 179.89 1wh4 h THR 105 N 0.08 1.27 -0.16 0.00 2.02 -0.52 0.16 112.91 115.76 1wh4 h THR 105 Ca 0.21 -1.27 -0.08 0.00 0.77 0.00 0.00 66.41 66.04 1wh4 h THR 105 Cb 0.31 1.25 -0.01 0.00 -1.74 0.00 0.00 68.15 67.97 1wh4 h THR 105 CO -0.38 0.42 -0.27 0.25 0.37 0.00 0.00 175.52 175.91 1wh4 h LEU 106 N 0.55 0.29 0.21 2.58 5.85 -0.82 -1.34 115.31 122.64 1wh4 h LEU 106 Ca 0.08 -0.09 -0.28 0.00 0.84 0.00 0.00 57.88 58.43 1wh4 h LEU 106 Cb 0.68 -0.08 0.03 0.00 0.37 0.00 0.00 40.66 41.66 1wh4 h LEU 106 CO 0.05 0.57 -1.22 -0.07 -0.34 0.00 0.00 178.44 177.43 1wh4 h LEU 107 N 0.26 0.70 -6.15 2.25 3.38 -0.83 -3.46 115.31 111.46 1wh4 h LEU 107 Ca 0.04 -0.93 -0.13 0.00 0.09 0.00 0.00 57.88 56.94 1wh4 h LEU 107 Cb 0.63 -0.23 -0.24 0.00 0.09 0.00 0.00 40.66 40.91 1wh4 h LEU 107 CO 0.05 1.59 -0.50 -0.76 0.09 0.00 0.00 178.44 178.90 1wh4 s LEU 108 N -7.71 -1.09 0.35 1.67 1.43 0.52 -4.06 118.68 109.79 1wh4 s LEU 108 Ca -0.11 -0.58 0.27 0.00 -1.03 0.00 0.00 54.13 52.67 1wh4 s LEU 108 Cb 0.03 1.49 0.92 0.00 0.03 0.00 0.00 46.19 48.66 1wh4 s LEU 108 CO 0.90 -0.27 1.78 1.55 0.23 0.00 0.00 176.35 180.54 1wh4 h PRO 109 N 7.58 0.00 -0.03 1.29 0.13 -1.45 -2.58 132.00 136.95 1wh4 h PRO 109 Ca -0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.10 1wh4 h PRO 109 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1wh4 h PRO 109 CO 0.18 0.00 -0.07 -0.44 -0.23 0.00 0.00 178.00 177.43 1wh4 h ASP 110 N 0.00 0.11 -0.41 1.44 5.19 -1.94 -3.39 116.42 117.42 1wh4 h ASP 110 Ca 0.00 -0.61 -0.07 0.00 -0.62 0.00 0.00 57.03 55.73 1wh4 h ASP 110 Cb 0.61 -0.03 -0.01 0.00 0.18 0.00 0.00 39.33 40.07 1wh4 h ASP 110 CO 0.00 0.70 -0.00 0.00 -3.12 0.00 0.00 179.24 176.82 1wh4 h ALA 111 N 0.41 0.56 -2.12 3.45 0.00 -1.83 -3.42 119.26 116.31 1wh4 h ALA 111 Ca -0.00 -0.26 -0.61 0.00 0.00 0.00 0.00 54.91 54.04 1wh4 h ALA 111 Cb 0.69 -0.15 0.07 0.00 0.00 0.00 0.00 17.79 18.40 1wh4 h ALA 111 CO 0.02 0.34 0.55 1.55 0.00 0.00 0.00 179.25 181.70 1wh4 n VAL 112 N -4.43 0.67 -0.82 0.00 3.14 -1.17 -4.84 118.33 110.88 1wh4 n VAL 112 Ca -0.01 -0.17 -0.10 0.00 -2.96 0.00 0.00 64.34 61.11 1wh4 n VAL 112 Cb 0.29 -1.27 -0.14 0.00 -1.06 0.00 0.00 33.84 31.66 1wh4 n VAL 112 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 1wh4 n PRO 113 N 2.26 1.65 -3.58 1.45 -0.04 -1.26 -4.57 135.00 130.91 1wh4 n PRO 113 Ca 0.14 -0.82 -0.28 0.00 -0.04 0.00 0.00 63.50 62.50 1wh4 n PRO 113 Cb 0.28 -1.91 -0.11 0.00 -0.04 0.00 0.00 33.50 31.72 1wh4 n PRO 113 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1wh4 s GLN 114 N 1.34 1.44 -0.32 0.54 2.00 -1.26 -5.09 119.66 118.31 1wh4 s GLN 114 Ca 0.55 -2.51 -0.30 0.00 -2.00 0.00 0.00 55.36 51.11 1wh4 s GLN 114 Cb 0.26 -2.13 -0.08 0.00 0.80 0.00 0.00 33.01 31.86 1wh4 s GLN 114 CO 0.00 -1.34 2.27 0.25 -0.50 0.00 0.00 175.29 175.97 1wh4 n THR 115 N 2.61 0.21 -3.90 -0.34 -2.24 -1.26 -4.93 114.28 104.43 1wh4 n THR 115 Ca 0.25 -0.46 -0.30 0.00 -2.27 0.00 0.00 64.05 61.28 1wh4 n THR 115 Cb 0.43 -2.30 -0.13 0.00 -2.10 0.00 0.00 70.33 66.23 1wh4 n THR 115 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1wh4 s VAL 116 N 8.79 2.87 0.00 2.28 0.11 -1.26 -4.94 120.40 128.25 1wh4 s VAL 116 Ca 1.04 -3.77 0.00 0.00 -2.93 0.00 0.00 61.98 56.32 1wh4 s VAL 116 Cb -0.47 -2.92 0.00 0.00 -1.53 0.00 0.00 36.38 31.45 1wh4 s VAL 116 CO 0.38 -0.91 0.00 0.29 -3.33 0.00 0.00 175.10 171.53 1wh4 n LYS 117 N 2.57 0.00 -1.28 1.54 4.76 -1.26 -4.84 118.16 119.65 1wh4 n LYS 117 Ca 0.13 0.00 0.15 0.00 -2.87 0.00 0.00 58.31 55.72 1wh4 n LYS 117 Cb 0.34 -1.03 -0.06 0.00 -1.84 0.00 0.00 35.03 32.44 1wh4 n LYS 117 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1wh4 n SER 118 N 0.34 -7.07 -0.61 4.39 7.64 -1.26 -5.04 113.62 112.01 1wh4 n SER 118 Ca 0.00 0.83 0.05 0.00 1.01 0.00 0.00 58.87 60.77 1wh4 n SER 118 Cb 0.00 -4.10 -0.02 0.00 -1.01 0.00 0.00 64.21 59.08 1wh4 n SER 118 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wh4 n LEU 119 N -3.87 -0.22 -4.82 -3.43 -0.00 -1.26 -4.83 117.00 98.57 1wh4 n LEU 119 Ca -0.03 0.49 -0.35 0.00 -0.00 0.00 0.00 56.01 56.12 1wh4 n LEU 119 Cb 0.65 -2.03 -0.06 0.00 -0.00 0.00 0.00 43.42 41.98 1wh4 n LEU 119 CO 0.02 -0.91 0.53 -2.16 -0.00 0.00 0.00 177.39 174.87 1wh4 s PRO 120 N -2.37 4.25 1.27 1.47 0.04 -1.26 -5.08 135.00 133.32 1wh4 s PRO 120 Ca 0.00 0.98 -0.20 0.00 0.04 0.00 0.00 61.00 61.82 1wh4 s PRO 120 Cb 0.00 -2.56 0.31 0.00 0.04 0.00 0.00 34.50 32.29 1wh4 s PRO 120 CO 0.00 0.20 1.05 -1.25 0.04 0.00 0.00 177.00 177.04 1wh4 s PRO 121 N -2.57 -1.79 0.07 0.56 0.04 -1.26 -5.09 135.00 124.96 1wh4 s PRO 121 Ca 0.52 -0.01 0.01 0.00 0.04 0.00 0.00 61.00 61.57 1wh4 s PRO 121 Cb -0.13 -1.52 -0.04 0.00 0.04 0.00 0.00 34.50 32.85 1wh4 s PRO 121 CO 0.19 -4.09 -0.06 -1.54 0.04 0.00 0.00 177.00 171.53 1wh4 s SER 122 N -3.66 0.93 0.00 6.66 1.04 -1.26 -4.98 113.70 112.43 1wh4 s SER 122 Ca 0.70 -0.84 0.00 0.00 0.48 0.00 0.00 55.95 56.30 1wh4 s SER 122 Cb -0.11 0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.10 1wh4 s SER 122 CO 0.57 -0.39 0.00 0.61 0.98 0.00 0.00 173.24 175.01 1wh4 n GLY 123 N 0.53 -0.44 1.41 7.32 0.00 -1.26 -5.18 105.19 107.57 1wh4 n GLY 123 Ca -0.16 -0.94 -0.11 0.00 0.00 0.00 0.00 46.02 44.81 1wh4 n GLY 123 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wh4 n PRO 124 N -0.04 -0.66 -3.93 1.61 -0.04 -1.26 -5.01 135.00 125.67 1wh4 n PRO 124 Ca 0.00 -0.75 -0.09 0.00 -0.04 0.00 0.00 63.50 62.62 1wh4 n PRO 124 Cb 0.00 -0.52 -0.07 0.00 -0.04 0.00 0.00 33.50 32.87 1wh4 n PRO 124 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wh4 s SER 125 N -2.78 0.09 -1.36 3.54 0.15 -1.26 -4.93 113.70 107.16 1wh4 s SER 125 Ca 0.28 -0.81 -0.10 0.00 0.70 0.00 0.00 55.95 56.02 1wh4 s SER 125 Cb -0.01 0.39 0.01 0.00 -1.71 0.00 0.00 66.02 64.69 1wh4 s SER 125 CO 0.20 -0.82 0.43 -1.20 1.20 0.00 0.00 173.24 173.05 1wh4 n SER 126 N -0.15 -1.55 0.00 5.45 7.64 -1.26 -5.21 113.62 118.55 1wh4 n SER 126 Ca -0.10 -1.12 0.00 0.00 1.01 0.00 0.00 58.87 58.65 1wh4 n SER 126 Cb 0.63 -2.54 0.00 0.00 -1.01 0.00 0.00 64.21 61.29 1wh4 n SER 126 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64