#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 0.21 0.00 1.61 0.15 -1.26 -5.09 113.70 109.32 1wh4 s SER 2 Ca 0.00 0.49 0.00 0.00 0.70 0.00 0.00 55.95 57.14 1wh4 s SER 2 Cb 0.00 0.48 0.00 0.00 -1.71 0.00 0.00 66.02 64.79 1wh4 s SER 2 CO 0.00 -0.21 0.00 -1.54 1.20 0.00 0.00 173.24 172.69 1wh4 n SER 3 N 4.91 0.00 -4.94 5.45 3.41 -1.26 -5.12 113.62 116.08 1wh4 n SER 3 Ca -0.13 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.23 1wh4 n SER 3 Cb 0.51 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.49 1wh4 n SER 3 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1wh4 s GLY 4 N -0.79 1.65 -0.11 5.00 0.00 -1.26 -5.07 107.32 106.74 1wh4 s GLY 4 Ca 0.00 -0.93 -0.11 0.00 0.00 0.00 0.00 44.72 43.68 1wh4 s GLY 4 CO 0.00 -0.65 -0.21 1.44 0.00 0.00 0.00 173.10 173.68 1wh4 n SER 5 N -2.50 1.21 -0.60 1.64 7.64 -1.26 -5.15 113.62 114.61 1wh4 n SER 5 Ca 0.05 0.24 0.00 0.00 1.01 0.00 0.00 58.87 60.17 1wh4 n SER 5 Cb 0.59 -0.66 0.00 0.00 -1.01 0.00 0.00 64.21 63.13 1wh4 n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wh4 n SER 6 N -3.73 -3.92 -3.83 6.43 7.64 -1.26 -5.02 113.62 109.93 1wh4 n SER 6 Ca -0.08 0.47 -0.30 0.00 1.01 0.00 0.00 58.87 59.96 1wh4 n SER 6 Cb 0.31 -1.18 -0.15 0.00 -1.01 0.00 0.00 64.21 62.18 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 -2.44 1.39 0.00 0.23 0.00 -1.26 -4.93 107.32 100.32 1wh4 s GLY 7 Ca 0.00 -2.01 0.00 0.00 0.00 0.00 0.00 44.72 42.71 1wh4 s GLY 7 CO 0.00 1.38 0.18 1.03 0.00 0.00 0.00 173.10 175.69 1wh4 n MET 8 N 4.59 0.00 -3.04 2.90 0.00 -1.26 -4.97 117.12 115.34 1wh4 n MET 8 Ca 0.00 -0.18 -0.15 0.00 0.00 0.00 0.00 57.70 57.38 1wh4 n MET 8 Cb 0.42 -0.25 0.01 0.00 0.00 0.00 0.00 33.22 33.40 1wh4 n MET 8 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 1wh4 n ASN 9 N 0.00 -0.18 -4.73 7.83 5.15 -1.26 -5.12 115.26 116.95 1wh4 n ASN 9 Ca 0.00 -3.23 -0.41 0.00 -0.60 0.00 0.00 54.58 50.35 1wh4 n ASN 9 Cb 0.43 0.19 -0.04 0.00 -0.53 0.00 0.00 39.78 39.83 1wh4 n ASN 9 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1wh4 s LYS 10 N -1.57 4.57 0.00 1.20 -0.14 -1.26 -5.08 119.74 117.45 1wh4 s LYS 10 Ca 0.34 1.25 0.00 0.00 -1.36 0.00 0.00 55.97 56.20 1wh4 s LYS 10 Cb 0.33 -3.40 0.00 0.00 -1.68 0.00 0.00 37.83 33.08 1wh4 s LYS 10 CO -0.07 0.16 0.00 -0.35 -0.76 0.00 0.00 175.35 174.33 1wh4 n PRO 11 N 3.14 1.84 -1.74 -1.68 -0.04 -1.26 -4.99 135.00 130.27 1wh4 n PRO 11 Ca 0.01 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.05 1wh4 n PRO 11 Cb 0.50 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.95 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 4.22 -4.83 1.53 7.99 -1.22 -5.00 117.00 119.69 1wh4 n LEU 12 Ca 0.00 1.18 -0.32 0.00 -0.01 0.00 0.00 56.01 56.86 1wh4 n LEU 12 Cb 0.00 -1.57 -0.02 0.00 -0.11 0.00 0.00 43.42 41.72 1wh4 n LEU 12 CO 0.00 -0.01 0.69 0.42 -1.51 0.00 0.00 177.39 176.98 1wh4 s THR 13 N -0.49 4.29 0.54 -5.08 -4.23 -1.26 -4.60 115.64 104.80 1wh4 s THR 13 Ca 0.60 1.09 0.23 0.00 -1.18 0.00 0.00 61.69 62.43 1wh4 s THR 13 Cb -0.52 -3.61 0.35 0.00 1.34 0.00 0.00 72.50 70.06 1wh4 s THR 13 CO 0.55 -0.63 2.06 -0.65 -0.54 0.00 0.00 174.62 175.41 1wh4 h PRO 14 N 0.74 0.00 -0.01 3.99 0.11 -1.92 -1.83 132.00 133.09 1wh4 h PRO 14 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1wh4 h PRO 14 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1wh4 h PRO 14 CO 0.60 0.00 -0.10 0.43 -0.21 0.00 0.00 178.00 178.72 1wh4 n SER 15 N -4.35 0.75 -4.76 -2.05 7.64 -1.26 -0.39 113.62 109.20 1wh4 n SER 15 Ca 0.05 -0.89 -0.41 0.00 1.01 0.00 0.00 58.87 58.63 1wh4 n SER 15 Cb 0.40 -0.01 -0.01 0.00 -1.01 0.00 0.00 64.21 63.58 1wh4 n SER 15 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1wh4 s THR 16 N -2.32 2.39 0.57 0.44 2.01 -0.69 -4.86 115.64 113.17 1wh4 s THR 16 Ca 0.32 0.35 -0.14 0.00 0.31 0.00 0.00 61.69 62.53 1wh4 s THR 16 Cb 0.20 -3.23 -0.06 0.00 0.01 0.00 0.00 72.50 69.43 1wh4 s THR 16 CO 0.44 0.07 1.01 -0.31 -0.69 0.00 0.00 174.62 175.14 1wh4 s TYR 17 N -0.58 3.43 0.16 4.92 1.51 -1.26 -0.28 117.35 125.24 1wh4 s TYR 17 Ca 0.56 1.42 -0.13 0.00 -1.01 0.00 0.00 57.07 57.91 1wh4 s TYR 17 Cb -0.44 -2.80 0.05 0.00 -0.11 0.00 0.00 41.96 38.66 1wh4 s TYR 17 CO 0.52 -0.61 1.68 0.82 -1.11 0.00 0.00 175.55 176.85 1wh4 h ILE 18 N 0.39 1.24 0.00 2.71 1.08 -1.81 -0.91 117.51 120.21 1wh4 h ILE 18 Ca -0.46 -0.82 0.00 0.00 -0.39 0.00 0.00 64.86 63.19 1wh4 h ILE 18 Cb 1.19 0.75 0.00 0.00 -3.07 0.00 0.00 36.82 35.69 1wh4 h ILE 18 CO 0.61 0.30 0.00 -2.11 -0.69 0.00 0.00 178.15 176.26 1wh4 n ARG 19 N -4.45 0.49 0.12 2.37 1.85 -1.26 -0.91 116.66 114.88 1wh4 n ARG 19 Ca 0.02 0.01 0.12 0.00 -1.00 0.00 0.00 57.85 56.99 1wh4 n ARG 19 Cb 0.21 -1.50 0.04 0.00 -1.05 0.00 0.00 32.46 30.16 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 -2.47 2.89 -0.73 -1.54 -3.47 115.58 110.26 1wh4 h ASN 20 Ca 0.00 -0.01 -0.54 0.00 1.87 0.00 0.00 56.30 57.62 1wh4 h ASN 20 Cb 0.01 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.60 1wh4 h ASN 20 CO 0.00 0.00 1.18 -0.76 -0.37 0.00 0.00 177.43 177.48 1wh4 s LEU 21 N -5.47 4.32 0.67 0.34 1.43 -0.09 -4.95 118.68 114.94 1wh4 s LEU 21 Ca 0.01 2.41 -0.17 0.00 -1.03 0.00 0.00 54.13 55.35 1wh4 s LEU 21 Cb 0.09 -3.53 -0.00 0.00 0.03 0.00 0.00 46.19 42.77 1wh4 s LEU 21 CO 0.77 -1.05 1.21 0.59 0.23 0.00 0.00 176.35 178.10 1wh4 n ASN 22 N 7.58 1.63 0.23 2.29 4.13 -1.26 -4.63 115.26 125.23 1wh4 n ASN 22 Ca 0.19 0.78 0.12 0.00 1.68 0.00 0.00 54.58 57.36 1wh4 n ASN 22 Cb 0.42 -1.52 0.74 0.00 -1.54 0.00 0.00 39.78 37.89 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 0.29 0.78 0.00 2.41 3.04 -1.98 0.19 116.25 120.97 1wh4 h VAL 23 Ca -0.50 0.00 -0.14 0.00 -1.01 0.00 0.00 66.70 65.05 1wh4 h VAL 23 Cb 1.34 0.95 -0.02 0.00 -2.01 0.00 0.00 31.29 31.55 1wh4 h VAL 23 CO 0.51 0.00 -0.66 1.23 -1.01 0.00 0.00 177.57 177.64 1wh4 h GLY 24 N 0.00 0.00 0.77 3.17 0.00 -1.98 0.11 103.07 105.14 1wh4 h GLY 24 Ca 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.36 1wh4 h GLY 24 CO -0.00 0.00 0.01 -2.22 0.00 0.00 0.00 176.54 174.33 1wh4 h ILE 25 N 0.00 1.22 -0.89 2.60 1.08 -1.06 -0.84 117.51 119.62 1wh4 h ILE 25 Ca -0.01 -0.68 0.08 0.00 -0.39 0.00 0.00 64.86 63.86 1wh4 h ILE 25 Cb 1.26 1.53 -0.06 0.00 -3.07 0.00 0.00 36.82 36.48 1wh4 h ILE 25 CO 0.09 0.19 0.58 -0.07 -0.69 0.00 0.00 178.15 178.24 1wh4 h LEU 26 N -0.12 0.86 -0.34 1.44 3.38 -0.82 0.12 115.31 119.83 1wh4 h LEU 26 Ca 0.02 0.01 -0.19 0.00 0.09 0.00 0.00 57.88 57.81 1wh4 h LEU 26 Cb 0.29 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 1wh4 h LEU 26 CO 0.00 0.53 -0.71 0.03 0.09 0.00 0.00 178.44 178.39 1wh4 h ARG 27 N 0.96 0.56 -0.13 1.13 3.08 -0.73 0.09 114.38 119.35 1wh4 h ARG 27 Ca 0.39 -0.44 0.01 0.00 0.07 0.00 0.00 59.98 60.02 1wh4 h ARG 27 Cb 0.28 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 1wh4 h ARG 27 CO -0.16 1.06 0.05 0.87 -1.07 0.00 0.00 179.97 180.72 1wh4 h LYS 28 N 0.40 0.11 -0.22 0.04 1.79 -0.34 -1.34 116.57 117.00 1wh4 h LYS 28 Ca -0.03 -0.01 0.06 0.00 -2.18 0.00 0.00 60.65 58.49 1wh4 h LYS 28 Cb 1.30 -0.02 -0.07 0.00 -1.58 0.00 0.00 32.23 31.86 1wh4 h LYS 28 CO 0.13 0.07 -0.22 -0.07 -1.08 0.00 0.00 179.45 178.28 1wh4 h LEU 29 N 0.11 -0.71 -2.24 2.94 -0.00 -0.74 -2.35 115.31 112.32 1wh4 h LEU 29 Ca 0.05 0.13 -0.01 0.00 -0.00 0.00 0.00 57.88 58.05 1wh4 h LEU 29 Cb 0.02 0.34 -0.00 0.00 -0.00 0.00 0.00 40.66 41.02 1wh4 h LEU 29 CO -0.05 -0.26 -0.04 0.77 -0.00 0.00 0.00 178.44 178.86 1wh4 h SER 30 N -0.24 0.00 0.67 -0.43 4.64 -0.54 0.23 113.55 117.89 1wh4 h SER 30 Ca 0.13 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.43 1wh4 h SER 30 Cb 0.43 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1wh4 h SER 30 CO -0.36 0.04 -0.09 -0.78 -0.87 0.00 0.00 176.83 174.77 1wh4 h ASP 31 N 0.00 0.00 0.00 4.97 3.58 -0.69 -1.53 116.42 122.75 1wh4 h ASP 31 Ca -0.00 0.00 -0.14 0.00 0.42 0.00 0.00 57.03 57.31 1wh4 h ASP 31 Cb 0.23 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.26 1wh4 h ASP 31 CO 0.01 0.09 -1.76 0.49 -2.88 0.00 0.00 179.24 175.19 1wh4 n PHE 32 N -3.32 0.00 -0.03 0.28 3.72 -0.14 -4.60 117.46 113.38 1wh4 n PHE 32 Ca -0.01 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.45 1wh4 n PHE 32 Cb 0.28 -0.49 -0.16 0.00 -0.94 0.00 0.00 39.48 38.17 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 -2.26 0.31 0.52 4.37 2.08 0.62 -4.12 119.36 120.87 1wh4 n ILE 33 Ca -0.13 -0.57 -0.21 0.00 0.56 0.00 0.00 62.75 62.40 1wh4 n ILE 33 Cb 0.68 -0.10 -0.10 0.00 -0.75 0.00 0.00 39.64 39.38 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 -1.15 -4.27 4.38 3.58 -1.49 0.09 116.42 117.56 1wh4 h ASP 34 Ca -0.12 0.04 -0.52 0.00 0.42 0.00 0.00 57.03 56.85 1wh4 h ASP 34 Cb 1.26 0.30 0.19 0.00 1.72 0.00 0.00 39.33 42.80 1wh4 h ASP 34 CO 0.01 -0.81 0.23 -2.16 -2.88 0.00 0.00 179.24 173.63 1wh4 s PRO 35 N -5.99 1.11 -1.05 0.28 0.04 -1.26 -2.87 135.00 125.26 1wh4 s PRO 35 Ca -0.20 1.55 0.00 0.00 0.04 0.00 0.00 61.00 62.39 1wh4 s PRO 35 Cb 0.02 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.82 1wh4 s PRO 35 CO 0.60 -2.57 0.00 1.04 0.04 0.00 0.00 177.00 176.12 1wh4 n GLN 36 N -4.15 -1.90 -3.38 4.56 3.00 -1.26 -1.97 117.38 112.27 1wh4 n GLN 36 Ca 0.12 0.59 -0.23 0.00 -0.01 0.00 0.00 57.00 57.47 1wh4 n GLN 36 Cb 0.52 -5.04 -0.01 0.00 0.00 0.00 0.00 30.24 25.71 1wh4 n GLN 36 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1wh4 n GLU 37 N -2.39 -3.21 -0.24 -1.09 1.02 -1.14 -4.88 120.64 108.71 1wh4 n GLU 37 Ca -0.13 0.44 0.04 0.00 -0.02 0.00 0.00 57.16 57.50 1wh4 n GLU 37 Cb 0.52 -5.13 0.16 0.00 -0.02 0.00 0.00 31.44 26.96 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 -0.91 0.90 0.81 0.62 0.00 -0.77 -1.20 103.07 102.51 1wh4 h GLY 38 Ca -0.42 0.02 0.03 0.00 0.00 0.00 0.00 47.33 46.96 1wh4 h GLY 38 CO 0.53 -0.21 0.19 0.11 0.00 0.00 0.00 176.54 177.16 1wh4 h TRP 39 N 0.20 0.36 -0.49 5.60 5.08 -1.27 -0.28 115.95 125.14 1wh4 h TRP 39 Ca 0.39 0.02 0.01 0.00 1.08 0.00 0.00 58.89 60.39 1wh4 h TRP 39 Cb 0.66 -0.10 -0.03 0.00 -3.00 0.00 0.00 29.16 26.69 1wh4 h TRP 39 CO -0.31 0.19 0.31 0.87 -1.28 0.00 0.00 178.44 178.22 1wh4 h LYS 40 N 0.40 0.62 -0.60 0.12 1.57 -1.55 0.08 116.57 117.21 1wh4 h LYS 40 Ca 0.17 -0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 58.82 1wh4 h LYS 40 Cb 0.07 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 1wh4 h LYS 40 CO -0.12 0.41 0.01 0.87 -0.57 0.00 0.00 179.45 180.06 1wh4 h LYS 41 N 0.64 1.05 0.48 3.15 1.57 -0.85 -1.74 116.57 120.86 1wh4 h LYS 41 Ca 0.18 -0.33 -0.02 0.00 -1.87 0.00 0.00 60.65 58.62 1wh4 h LYS 41 Cb -0.05 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.17 1wh4 h LYS 41 CO -0.05 1.02 -0.23 1.25 -0.57 0.00 0.00 179.45 180.87 1wh4 h LEU 42 N 0.94 -0.54 -0.42 2.94 7.12 -0.77 -1.57 115.31 123.00 1wh4 h LEU 42 Ca 0.17 0.01 0.08 0.00 0.13 0.00 0.00 57.88 58.28 1wh4 h LEU 42 Cb 0.54 0.14 -0.08 0.00 -0.53 0.00 0.00 40.66 40.73 1wh4 h LEU 42 CO 0.03 -0.38 -0.11 0.00 -0.13 0.00 0.00 178.44 177.85 1wh4 h ALA 43 N -0.12 0.28 0.00 1.25 0.00 -0.69 -1.11 119.26 118.87 1wh4 h ALA 43 Ca -0.07 0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 1wh4 h ALA 43 Cb 0.50 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1wh4 h ALA 43 CO 0.11 -0.45 -0.38 -0.39 0.00 0.00 0.00 179.25 178.13 1wh4 h VAL 44 N -0.00 0.85 0.00 0.00 -1.51 -1.32 -2.62 116.25 111.65 1wh4 h VAL 44 Ca 0.20 -1.60 -0.09 0.00 -1.23 0.00 0.00 66.70 63.99 1wh4 h VAL 44 Cb 0.31 1.99 -0.01 0.00 -2.13 0.00 0.00 31.29 31.45 1wh4 h VAL 44 CO -0.44 0.38 -0.43 0.00 -1.23 0.00 0.00 177.57 175.85 1wh4 h ALA 45 N 1.62 1.19 -1.49 5.19 0.00 -0.30 -3.41 119.26 122.05 1wh4 h ALA 45 Ca -0.00 -0.39 -0.53 0.00 0.00 0.00 0.00 54.91 53.98 1wh4 h ALA 45 Cb 0.96 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.62 1wh4 h ALA 45 CO 0.05 0.54 1.14 0.42 0.00 0.00 0.00 179.25 181.40 1wh4 s ILE 46 N -3.91 3.67 0.17 0.00 1.01 -0.52 -4.99 121.20 116.63 1wh4 s ILE 46 Ca -0.02 0.49 0.03 0.00 0.00 0.00 0.00 60.65 61.15 1wh4 s ILE 46 Cb 0.13 -4.49 -0.03 0.00 0.01 0.00 0.00 42.46 38.08 1wh4 s ILE 46 CO 0.72 -1.34 0.27 -0.54 0.00 0.00 0.00 174.94 174.05 1wh4 s LYS 47 N 5.90 3.35 1.05 2.79 3.01 -1.26 -1.96 119.74 132.62 1wh4 s LYS 47 Ca 0.50 -0.68 -0.12 0.00 -1.01 0.00 0.00 55.97 54.66 1wh4 s LYS 47 Cb -0.10 -2.90 0.22 0.00 -1.01 0.00 0.00 37.83 34.04 1wh4 s LYS 47 CO 0.21 0.50 1.07 0.15 0.51 0.00 0.00 175.35 177.78 1wh4 s LYS 48 N -3.37 -0.01 0.40 1.68 1.02 0.12 -4.75 119.74 114.83 1wh4 s LYS 48 Ca 0.34 0.95 0.16 0.00 0.02 0.00 0.00 55.97 57.43 1wh4 s LYS 48 Cb -0.10 -1.65 1.03 0.00 -0.52 0.00 0.00 37.83 36.58 1wh4 s LYS 48 CO 0.28 -3.14 1.84 -1.35 -0.92 0.00 0.00 175.35 172.05 1wh4 h PRO 49 N -2.21 0.45 -0.01 -1.68 0.11 -2.00 -1.14 132.00 125.53 1wh4 h PRO 49 Ca -0.55 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.53 1wh4 h PRO 49 Cb 1.31 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1wh4 h PRO 49 CO 0.50 0.30 -0.34 0.43 -0.21 0.00 0.00 178.00 178.68 1wh4 n SER 50 N -4.55 1.04 0.00 -2.05 7.64 -1.26 -4.95 113.62 109.48 1wh4 n SER 50 Ca 0.20 -0.85 0.00 0.00 1.01 0.00 0.00 58.87 59.23 1wh4 n SER 50 Cb 0.69 0.22 0.00 0.00 -1.01 0.00 0.00 64.21 64.11 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 1.38 0.88 3.78 0.23 0.00 -0.43 -5.10 105.19 105.92 1wh4 n GLY 51 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.64 6.63 0.08 1.61 1.11 -1.26 -4.75 116.67 118.45 1wh4 s ASP 52 Ca 0.00 2.16 -0.31 0.00 0.18 0.00 0.00 52.55 54.58 1wh4 s ASP 52 Cb 0.00 -2.60 -0.07 0.00 1.07 0.00 0.00 42.92 41.33 1wh4 s ASP 52 CO 0.00 -0.59 1.35 -1.81 1.18 0.00 0.00 175.17 175.31 1wh4 s ASP 53 N -1.41 6.88 0.50 0.27 1.01 -1.26 0.12 116.67 122.78 1wh4 s ASP 53 Ca 0.58 2.21 0.27 0.00 0.71 0.00 0.00 52.55 56.32 1wh4 s ASP 53 Cb -0.25 -2.58 1.31 0.00 1.01 0.00 0.00 42.92 42.41 1wh4 s ASP 53 CO 0.32 -0.63 2.00 0.03 0.21 0.00 0.00 175.17 177.10 1wh4 h ARG 54 N 7.04 0.00 -2.97 8.23 3.08 -1.67 -3.40 114.38 124.69 1wh4 h ARG 54 Ca -0.41 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.15 1wh4 h ARG 54 Cb 1.20 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.85 1wh4 h ARG 54 CO 0.86 0.15 -0.76 0.71 -1.07 0.00 0.00 179.97 179.86 1wh4 s TYR 55 N -4.02 0.30 1.07 3.04 2.02 -1.26 -5.04 117.35 113.45 1wh4 s TYR 55 Ca -0.02 -0.59 -0.16 0.00 -0.37 0.00 0.00 57.07 55.92 1wh4 s TYR 55 Cb 0.12 -0.81 0.23 0.00 -0.40 0.00 0.00 41.96 41.10 1wh4 s TYR 55 CO 0.60 -0.65 1.17 1.21 -1.57 0.00 0.00 175.55 176.30 1wh4 s ASN 56 N 2.10 2.12 0.53 2.29 3.84 -1.26 -4.76 114.94 119.81 1wh4 s ASN 56 Ca 0.05 0.64 0.27 0.00 0.21 0.00 0.00 52.86 54.03 1wh4 s ASN 56 Cb -0.16 -0.93 1.51 0.00 -0.55 0.00 0.00 41.25 41.11 1wh4 s ASN 56 CO -0.21 -3.38 2.11 -0.61 -2.79 0.00 0.00 177.10 172.22 1wh4 h GLN 57 N -2.08 0.00 -1.07 0.43 4.15 -2.00 -0.70 115.11 113.85 1wh4 h GLN 57 Ca -0.47 0.00 0.32 0.00 0.77 0.00 0.00 58.65 59.28 1wh4 h GLN 57 Cb 1.29 0.00 -0.13 0.00 0.21 0.00 0.00 27.48 28.85 1wh4 h GLN 57 CO 0.43 0.09 0.64 0.35 -1.93 0.00 0.00 178.83 178.41 1wh4 h PHE 58 N 0.00 0.81 0.08 3.99 3.57 -2.00 0.11 116.94 123.51 1wh4 h PHE 58 Ca -0.00 0.03 -0.34 0.00 3.53 0.00 0.00 57.97 61.19 1wh4 h PHE 58 Cb 0.25 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.74 1wh4 h PHE 58 CO 0.00 -0.11 -1.89 0.72 -2.23 0.00 0.00 178.31 174.80 1wh4 n HIS 59 N -4.88 1.18 -0.25 0.41 8.25 -0.29 -3.64 115.22 116.00 1wh4 n HIS 59 Ca 0.31 0.30 0.02 0.00 -0.26 0.00 0.00 57.72 58.10 1wh4 n HIS 59 Cb 1.02 -1.17 0.15 0.00 1.12 0.00 0.00 29.99 31.11 1wh4 n HIS 59 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1wh4 h ILE 60 N 0.05 0.78 -0.65 1.59 1.08 -1.03 0.79 117.51 120.12 1wh4 h ILE 60 Ca -0.37 -0.18 -0.04 0.00 -0.39 0.00 0.00 64.86 63.87 1wh4 h ILE 60 Cb 2.03 0.20 -0.03 0.00 -3.07 0.00 0.00 36.82 35.95 1wh4 h ILE 60 CO 0.09 0.10 0.26 0.03 -0.69 0.00 0.00 178.15 177.93 1wh4 h ARG 61 N 0.54 0.95 -0.26 2.37 2.47 -0.98 0.19 114.38 119.65 1wh4 h ARG 61 Ca 0.37 -0.15 -0.00 0.00 -1.26 0.00 0.00 59.98 58.93 1wh4 h ARG 61 Cb 0.45 -0.16 -0.01 0.00 -1.65 0.00 0.00 29.97 28.60 1wh4 h ARG 61 CO -0.31 0.77 0.15 0.00 0.56 0.00 0.00 179.97 181.14 1wh4 h ARG 62 N 0.93 0.36 -0.84 0.04 3.08 -1.24 -1.60 114.38 115.11 1wh4 h ARG 62 Ca 0.22 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.25 1wh4 h ARG 62 Cb 0.18 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.11 1wh4 h ARG 62 CO -0.02 0.31 0.55 0.74 -1.07 0.00 0.00 179.97 180.48 1wh4 h PHE 63 N 0.31 1.05 -0.61 3.04 0.04 -0.22 -1.78 116.94 118.77 1wh4 h PHE 63 Ca 0.09 0.03 0.06 0.00 2.80 0.00 0.00 57.97 60.95 1wh4 h PHE 63 Cb 0.05 -0.35 -0.06 0.00 2.20 0.00 0.00 35.95 37.79 1wh4 h PHE 63 CO -0.04 0.64 0.31 0.93 -0.60 0.00 0.00 178.31 179.55 1wh4 h GLU 64 N 1.11 0.56 -0.07 1.51 5.08 -0.49 -1.72 114.58 120.57 1wh4 h GLU 64 Ca 0.32 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.67 1wh4 h GLU 64 Cb -0.08 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.04 1wh4 h GLU 64 CO -0.08 0.37 0.07 0.00 -1.00 0.00 0.00 179.01 178.37 1wh4 h ALA 65 N 1.34 1.70 0.26 3.43 0.00 -0.38 -1.97 119.26 123.65 1wh4 h ALA 65 Ca 0.28 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 1wh4 h ALA 65 Cb 0.22 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1wh4 h ALA 65 CO -0.20 -0.11 -0.13 -0.07 0.00 0.00 0.00 179.25 178.74 1wh4 h LEU 66 N 0.00 -0.30 -1.89 0.00 3.38 -1.15 -3.28 115.31 112.07 1wh4 h LEU 66 Ca 0.03 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 1wh4 h LEU 66 Cb 0.18 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 1wh4 h LEU 66 CO -0.00 0.11 -0.09 0.17 0.09 0.00 0.00 178.44 178.72 1wh4 h LEU 67 N -0.77 0.00 -1.08 1.67 8.10 -1.02 0.68 115.31 122.88 1wh4 h LEU 67 Ca -0.04 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.95 1wh4 h LEU 67 Cb 0.50 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.72 1wh4 h LEU 67 CO 0.06 0.09 0.00 0.00 -4.11 0.00 0.00 178.44 174.48 1wh4 n GLN 68 N -4.26 0.16 -0.47 0.17 6.02 -0.84 -2.15 117.38 116.01 1wh4 n GLN 68 Ca -0.03 0.54 0.05 0.00 -0.01 0.00 0.00 57.00 57.55 1wh4 n GLN 68 Cb 0.17 -1.91 0.08 0.00 1.02 0.00 0.00 30.24 29.60 1wh4 n GLN 68 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 177.06 173.68 1wh4 n THR 69 N -2.24 0.99 0.00 5.09 5.66 0.16 -5.03 114.28 118.92 1wh4 n THR 69 Ca 0.00 -1.39 0.00 0.00 -3.05 0.00 0.00 64.05 59.62 1wh4 n THR 69 Cb 0.12 0.19 0.00 0.00 -1.55 0.00 0.00 70.33 69.09 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 -0.63 3.05 3.73 1.09 0.00 -0.75 -4.99 105.19 106.68 1wh4 n GLY 70 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.93 2.37 -3.20 1.61 4.76 -1.02 -4.87 118.16 115.89 1wh4 n LYS 71 Ca 0.00 0.83 -0.42 0.00 -2.87 0.00 0.00 58.31 55.85 1wh4 n LYS 71 Cb 0.00 -2.48 -0.07 0.00 -1.84 0.00 0.00 35.03 30.63 1wh4 n LYS 71 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1wh4 s SER 72 N -0.18 6.31 0.48 4.39 0.15 -1.26 -2.42 113.70 121.18 1wh4 s SER 72 Ca 0.55 -0.22 0.21 0.00 0.70 0.00 0.00 55.95 57.20 1wh4 s SER 72 Cb -0.53 -2.28 1.23 0.00 -1.71 0.00 0.00 66.02 62.72 1wh4 s SER 72 CO 0.62 -0.60 2.03 1.55 1.20 0.00 0.00 173.24 178.04 1wh4 h PRO 73 N 8.64 0.00 0.17 5.44 0.13 -1.91 -2.01 132.00 142.45 1wh4 h PRO 73 Ca -0.27 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.87 1wh4 h PRO 73 Cb 1.11 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.20 1wh4 h PRO 73 CO 0.82 0.16 -0.52 1.15 -0.23 0.00 0.00 178.00 179.38 1wh4 h THR 74 N 0.00 0.00 -0.54 1.56 2.02 -1.91 0.93 112.91 114.97 1wh4 h THR 74 Ca -0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 1wh4 h THR 74 Cb 0.33 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.71 1wh4 h THR 74 CO 0.02 0.00 0.31 0.00 0.37 0.00 0.00 175.52 176.22 1wh4 h GLU 76 N 0.72 0.05 -0.10 0.00 5.08 -1.33 -2.12 114.58 116.89 1wh4 h GLU 76 Ca 0.19 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.54 1wh4 h GLU 76 Cb 0.02 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1wh4 h GLU 76 CO -0.03 0.32 0.03 1.25 -1.00 0.00 0.00 179.01 179.58 1wh4 h LEU 77 N -0.22 0.04 -0.67 1.33 5.85 -0.55 0.30 115.31 121.39 1wh4 h LEU 77 Ca 0.01 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.78 1wh4 h LEU 77 Cb 0.29 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.28 1wh4 h LEU 77 CO 0.00 0.04 0.40 -0.07 -0.34 0.00 0.00 178.44 178.47 1wh4 h LEU 78 N 0.08 0.64 -0.20 2.25 3.38 -1.08 -0.03 115.31 120.36 1wh4 h LEU 78 Ca 0.04 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1wh4 h LEU 78 Cb 0.02 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1wh4 h LEU 78 CO -0.04 0.43 0.05 0.15 0.09 0.00 0.00 178.44 179.13 1wh4 h PHE 79 N 0.78 0.33 -0.36 1.13 3.04 -0.67 0.44 116.94 121.63 1wh4 h PHE 79 Ca 0.28 -0.04 -0.04 0.00 3.98 0.00 0.00 57.97 62.16 1wh4 h PHE 79 Cb 0.08 -0.09 -0.01 0.00 2.56 0.00 0.00 35.95 38.48 1wh4 h PHE 79 CO -0.06 0.43 0.08 -0.44 -2.02 0.00 0.00 178.31 176.30 1wh4 h ASP 80 N 0.14 0.55 -0.11 0.41 5.19 -0.74 0.03 116.42 121.91 1wh4 h ASP 80 Ca 0.06 -0.24 -0.02 0.00 -0.62 0.00 0.00 57.03 56.21 1wh4 h ASP 80 Cb 0.26 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 39.61 1wh4 h ASP 80 CO -0.00 0.65 0.01 -0.25 -3.12 0.00 0.00 179.24 176.53 1wh4 h TRP 81 N 0.43 0.27 0.03 4.55 7.01 -1.01 0.37 115.95 127.61 1wh4 h TRP 81 Ca 0.11 -0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.12 1wh4 h TRP 81 Cb 0.32 -0.09 -0.03 0.00 -2.10 0.00 0.00 29.16 27.27 1wh4 h TRP 81 CO 0.02 0.28 -0.16 0.78 -2.79 0.00 0.00 178.44 176.57 1wh4 h GLY 82 N 0.53 -0.24 1.36 2.65 0.00 0.43 -2.33 103.07 105.47 1wh4 h GLY 82 Ca 0.07 0.19 -0.05 0.00 0.00 0.00 0.00 47.33 47.53 1wh4 h GLY 82 CO 0.00 -0.16 0.11 0.00 0.00 0.00 0.00 176.54 176.49 1wh4 h THR 83 N -0.28 1.22 0.00 4.70 1.03 -0.21 -2.64 112.91 116.72 1wh4 h THR 83 Ca 0.04 -0.83 0.00 0.00 -0.01 0.00 0.00 66.41 65.61 1wh4 h THR 83 Cb 0.34 0.71 0.00 0.00 -1.07 0.00 0.00 68.15 68.13 1wh4 h THR 83 CO -0.13 0.31 0.00 0.00 -0.01 0.00 0.00 175.52 175.68 1wh4 h THR 84 N 0.77 0.00 0.00 0.00 1.03 -0.52 -3.46 112.91 110.73 1wh4 h THR 84 Ca 0.17 -0.19 0.00 0.00 -0.01 0.00 0.00 66.41 66.38 1wh4 h THR 84 Cb 0.31 1.02 0.00 0.00 -1.07 0.00 0.00 68.15 68.41 1wh4 h THR 84 CO 0.00 0.00 0.00 0.59 -0.01 0.00 0.00 175.52 176.10 1wh4 n ASN 85 N -2.73 0.00 -4.33 0.00 4.13 -0.92 -5.07 115.26 106.35 1wh4 n ASN 85 Ca -0.01 0.00 -0.17 0.00 1.68 0.00 0.00 54.58 56.09 1wh4 n ASN 85 Cb 0.16 0.00 -0.10 0.00 -1.54 0.00 0.00 39.78 38.30 1wh4 n ASN 85 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1wh4 s THR 87 N -3.65 1.06 0.24 0.00 -4.23 -1.26 -2.77 115.64 105.02 1wh4 s THR 87 Ca 0.35 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.80 1wh4 s THR 87 Cb 0.08 -2.76 0.22 0.00 1.34 0.00 0.00 72.50 71.38 1wh4 s THR 87 CO 0.12 0.00 1.87 0.58 -0.54 0.00 0.00 174.62 176.66 1wh4 h VAL 88 N 2.17 1.26 -0.38 2.29 2.07 -0.64 0.09 116.25 123.11 1wh4 h VAL 88 Ca -0.40 -0.61 -0.07 0.00 0.82 0.00 0.00 66.70 66.44 1wh4 h VAL 88 Cb 1.24 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 1wh4 h VAL 88 CO 0.68 0.28 -0.07 1.23 0.02 0.00 0.00 177.57 179.72 1wh4 h GLY 89 N 1.29 0.69 0.81 2.17 0.00 -0.95 -0.25 103.07 106.84 1wh4 h GLY 89 Ca 0.33 -0.47 -0.00 0.00 0.00 0.00 0.00 47.33 47.19 1wh4 h GLY 89 CO -0.06 0.43 -0.19 -1.80 0.00 0.00 0.00 176.54 174.92 1wh4 h ASP 90 N 0.59 -0.50 0.59 0.19 1.82 -1.57 -3.18 116.42 114.36 1wh4 h ASP 90 Ca 0.11 0.04 -0.02 0.00 -0.39 0.00 0.00 57.03 56.77 1wh4 h ASP 90 Cb 0.47 0.17 -0.01 0.00 0.68 0.00 0.00 39.33 40.64 1wh4 h ASP 90 CO 0.02 -0.29 -0.44 0.25 -1.61 0.00 0.00 179.24 177.17 1wh4 h LEU 91 N -0.44 -1.17 -0.76 2.28 5.85 -0.46 -2.91 115.31 117.70 1wh4 h LEU 91 Ca -0.01 0.08 0.17 0.00 0.84 0.00 0.00 57.88 58.96 1wh4 h LEU 91 Cb 0.40 0.36 -0.13 0.00 0.37 0.00 0.00 40.66 41.66 1wh4 h LEU 91 CO -0.02 -0.64 0.03 0.58 -0.34 0.00 0.00 178.44 178.05 1wh4 h VAL 92 N -0.99 0.35 0.21 1.05 2.07 -1.17 0.99 116.25 118.76 1wh4 h VAL 92 Ca -0.08 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 1wh4 h VAL 92 Cb 0.82 0.22 -0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1wh4 h VAL 92 CO 0.02 0.02 -0.12 0.44 0.02 0.00 0.00 177.57 177.96 1wh4 h ASP 93 N 0.12 -0.28 -0.84 0.57 3.32 -1.50 -0.26 116.42 117.55 1wh4 h ASP 93 Ca 0.42 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.48 1wh4 h ASP 93 Cb 0.75 0.08 -0.04 0.00 0.22 0.00 0.00 39.33 40.34 1wh4 h ASP 93 CO -0.65 -0.19 0.50 -0.07 -1.72 0.00 0.00 179.24 177.10 1wh4 h LEU 94 N -0.31 1.01 -0.58 1.55 3.38 -1.18 -1.71 115.31 117.48 1wh4 h LEU 94 Ca -0.02 -0.07 0.05 0.00 0.09 0.00 0.00 57.88 57.92 1wh4 h LEU 94 Cb 0.25 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.69 1wh4 h LEU 94 CO 0.03 0.79 0.31 -0.07 0.09 0.00 0.00 178.44 179.59 1wh4 h LEU 95 N 1.15 0.46 -1.36 1.67 3.38 -0.20 -0.66 115.31 119.76 1wh4 h LEU 95 Ca 0.30 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 58.23 1wh4 h LEU 95 Cb -0.03 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1wh4 h LEU 95 CO -0.05 0.31 -0.31 0.58 0.09 0.00 0.00 178.44 179.06 1wh4 h VAL 96 N 0.60 1.04 0.00 1.22 2.07 -0.65 0.75 116.25 121.28 1wh4 h VAL 96 Ca 0.26 -1.13 -0.03 0.00 0.82 0.00 0.00 66.70 66.62 1wh4 h VAL 96 Cb 0.15 1.64 -0.00 0.00 -1.52 0.00 0.00 31.29 31.55 1wh4 h VAL 96 CO -0.16 0.30 -0.12 0.06 0.02 0.00 0.00 177.57 177.67 1wh4 h GLN 97 N 0.00 0.00 -0.36 1.57 3.07 -0.23 -3.15 115.11 116.01 1wh4 h GLN 97 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1wh4 h GLN 97 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.18 1wh4 h GLN 97 CO 0.04 0.12 0.00 0.44 0.09 0.00 0.00 178.83 179.52 1wh4 n ILE 98 N -3.33 1.62 -1.33 1.86 -5.35 -0.81 -4.96 119.36 107.06 1wh4 n ILE 98 Ca -0.00 -1.36 -0.11 0.00 -0.27 0.00 0.00 62.75 61.00 1wh4 n ILE 98 Cb 0.33 0.16 -0.05 0.00 -1.74 0.00 0.00 39.64 38.34 1wh4 n ILE 98 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1wh4 n GLU 99 N 0.22 -1.12 -2.16 6.28 1.02 -1.09 -4.93 120.64 118.87 1wh4 n GLU 99 Ca 0.17 0.87 -0.41 0.00 -0.02 0.00 0.00 57.16 57.77 1wh4 n GLU 99 Cb 0.68 -4.98 0.00 0.00 -0.02 0.00 0.00 31.44 27.12 1wh4 n GLU 99 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1wh4 n LEU 100 N -1.29 7.68 -0.10 -4.62 7.99 0.20 -4.74 117.00 122.12 1wh4 n LEU 100 Ca -0.11 -4.91 -0.14 0.00 -0.01 0.00 0.00 56.01 50.84 1wh4 n LEU 100 Cb 0.46 -1.36 -0.02 0.00 -0.11 0.00 0.00 43.42 42.38 1wh4 n LEU 100 CO 0.17 1.93 0.51 -0.26 -1.51 0.00 0.00 177.39 178.23 1wh4 h PHE 101 N 4.79 1.11 -0.02 -1.77 0.04 -1.92 -2.70 116.94 116.47 1wh4 h PHE 101 Ca 0.61 -0.35 0.03 0.00 2.80 0.00 0.00 57.97 61.06 1wh4 h PHE 101 Cb 0.37 -0.22 -0.06 0.00 2.20 0.00 0.00 35.95 38.24 1wh4 h PHE 101 CO 1.49 1.18 -0.45 0.00 -0.60 0.00 0.00 178.31 179.94 1wh4 h ALA 102 N 0.76 -0.72 -0.05 2.45 0.00 -1.97 0.14 119.26 119.87 1wh4 h ALA 102 Ca 0.05 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1wh4 h ALA 102 Cb 1.04 0.80 -0.01 0.00 0.00 0.00 0.00 17.79 19.61 1wh4 h ALA 102 CO 0.10 -0.99 -0.38 -1.00 0.00 0.00 0.00 179.25 176.99 1wh4 h PRO 103 N -0.59 0.11 -0.20 0.00 0.13 -1.93 -0.36 132.00 129.16 1wh4 h PRO 103 Ca 0.04 -0.04 0.04 0.00 -0.87 0.00 0.00 66.00 65.17 1wh4 h PRO 103 Cb 0.67 -0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.76 1wh4 h PRO 103 CO -0.34 0.47 -0.03 0.00 -0.23 0.00 0.00 178.00 177.88 1wh4 h ALA 104 N 1.53 0.15 -0.74 -0.56 0.00 -1.08 -2.22 119.26 116.34 1wh4 h ALA 104 Ca 0.01 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1wh4 h ALA 104 Cb 0.71 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 1wh4 h ALA 104 CO 0.05 -0.46 0.26 1.15 0.00 0.00 0.00 179.25 180.26 1wh4 h THR 105 N 0.03 1.26 -0.46 0.00 2.02 -0.29 0.98 112.91 116.45 1wh4 h THR 105 Ca 0.10 -0.85 -0.05 0.00 0.77 0.00 0.00 66.41 66.38 1wh4 h THR 105 Cb 0.13 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 66.95 1wh4 h THR 105 CO -0.19 0.34 0.09 0.25 0.37 0.00 0.00 175.52 176.39 1wh4 h LEU 106 N 1.08 0.64 0.08 2.58 5.85 -0.79 -0.93 115.31 123.81 1wh4 h LEU 106 Ca 0.24 -0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 1wh4 h LEU 106 Cb 0.26 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.13 1wh4 h LEU 106 CO -0.01 0.65 -0.04 -0.07 -0.34 0.00 0.00 178.44 178.63 1wh4 h LEU 107 N 0.67 -0.09 -6.73 2.25 3.38 -1.15 -3.43 115.31 110.21 1wh4 h LEU 107 Ca 0.15 -0.52 -0.56 0.00 0.09 0.00 0.00 57.88 57.04 1wh4 h LEU 107 Cb 0.28 0.02 -0.40 0.00 0.09 0.00 0.00 40.66 40.66 1wh4 h LEU 107 CO 0.00 0.58 -0.81 -0.76 0.09 0.00 0.00 178.44 177.54 1wh4 s LEU 108 N -8.76 0.93 0.42 1.67 1.43 0.32 -3.42 118.68 111.27 1wh4 s LEU 108 Ca -0.14 -1.77 0.23 0.00 -1.03 0.00 0.00 54.13 51.42 1wh4 s LEU 108 Cb -0.00 -0.43 0.81 0.00 0.03 0.00 0.00 46.19 46.59 1wh4 s LEU 108 CO 0.52 -0.37 1.78 1.55 0.23 0.00 0.00 176.35 180.05 1wh4 h PRO 109 N 7.69 0.00 0.00 1.29 0.13 -1.39 -2.87 132.00 136.85 1wh4 h PRO 109 Ca -0.07 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.84 1wh4 h PRO 109 Cb 0.99 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.08 1wh4 h PRO 109 CO 0.36 0.25 -1.16 -0.44 -0.23 0.00 0.00 178.00 176.79 1wh4 h ASP 110 N 0.00 0.00 -0.06 1.44 5.19 -1.94 -3.39 116.42 117.66 1wh4 h ASP 110 Ca -0.00 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.39 1wh4 h ASP 110 Cb 0.82 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.33 1wh4 h ASP 110 CO 0.03 0.92 -0.05 0.00 -3.12 0.00 0.00 179.24 177.03 1wh4 h ALA 111 N 1.08 0.09 -2.39 3.45 0.00 -1.87 -3.45 119.26 116.16 1wh4 h ALA 111 Ca -0.09 -0.26 -0.57 0.00 0.00 0.00 0.00 54.91 53.99 1wh4 h ALA 111 Cb 1.78 -0.02 0.07 0.00 0.00 0.00 0.00 17.79 19.62 1wh4 h ALA 111 CO 0.10 -0.13 0.78 1.55 0.00 0.00 0.00 179.25 181.55 1wh4 n VAL 112 N -4.76 0.39 -2.10 0.00 3.14 -1.23 -4.85 118.33 108.91 1wh4 n VAL 112 Ca -0.07 -0.10 -0.35 0.00 -2.96 0.00 0.00 64.34 60.86 1wh4 n VAL 112 Cb 0.28 -1.62 -0.04 0.00 -1.06 0.00 0.00 33.84 31.40 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 2.94 2.16 0.12 1.45 -0.04 -1.26 -3.32 135.00 137.04 1wh4 n PRO 113 Ca 0.14 -2.66 0.00 0.00 -0.04 0.00 0.00 63.50 60.94 1wh4 n PRO 113 Cb 0.31 -3.54 0.00 0.00 -0.04 0.00 0.00 33.50 30.23 1wh4 n PRO 113 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1wh4 n GLN 114 N 8.04 0.00 -0.29 0.54 6.02 -1.26 -5.06 117.38 125.37 1wh4 n GLN 114 Ca 0.47 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.46 1wh4 n GLN 114 Cb 0.45 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.71 1wh4 n GLN 114 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1wh4 n THR 115 N -3.04 0.00 -1.04 5.09 -2.24 -1.21 -4.92 114.28 106.92 1wh4 n THR 115 Ca 0.00 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.47 1wh4 n THR 115 Cb 0.00 -0.29 0.12 0.00 -2.10 0.00 0.00 70.33 68.07 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 -0.50 2.66 -0.00 2.28 0.11 -1.26 -5.04 120.40 118.64 1wh4 s VAL 116 Ca 0.00 0.23 -0.09 0.00 -2.93 0.00 0.00 61.98 59.19 1wh4 s VAL 116 Cb 0.00 -2.51 0.01 0.00 -1.53 0.00 0.00 36.38 32.35 1wh4 s VAL 116 CO 0.00 -0.27 0.17 -1.59 -3.33 0.00 0.00 175.10 170.09 1wh4 s LYS 117 N -4.67 0.51 0.00 1.54 -2.85 -1.26 -5.15 119.74 107.86 1wh4 s LYS 117 Ca 0.65 -0.34 -0.25 0.00 -1.00 0.00 0.00 55.97 55.03 1wh4 s LYS 117 Cb -0.21 0.22 0.06 0.00 -2.06 0.00 0.00 37.83 35.84 1wh4 s LYS 117 CO 0.55 -0.13 0.56 -1.12 0.10 0.00 0.00 175.35 175.32 1wh4 s SER 118 N -1.32 -0.50 0.08 0.03 0.01 -1.26 -5.17 113.70 105.56 1wh4 s SER 118 Ca -0.14 0.38 0.04 0.00 1.31 0.00 0.00 55.95 57.55 1wh4 s SER 118 Cb -0.07 0.49 -0.03 0.00 0.21 0.00 0.00 66.02 66.62 1wh4 s SER 118 CO 0.02 -0.64 -0.12 -0.76 0.41 0.00 0.00 173.24 172.15 1wh4 s LEU 119 N -1.58 2.32 0.82 2.44 2.01 -1.26 -5.17 118.68 118.26 1wh4 s LEU 119 Ca -0.09 -0.67 -0.11 0.00 0.01 0.00 0.00 54.13 53.27 1wh4 s LEU 119 Cb -0.01 -0.38 0.09 0.00 0.01 0.00 0.00 46.19 45.90 1wh4 s LEU 119 CO 0.04 -0.16 1.09 -2.16 1.01 0.00 0.00 176.35 176.16 1wh4 s PRO 120 N -2.08 1.86 -0.18 1.29 0.04 -1.26 -4.97 135.00 129.70 1wh4 s PRO 120 Ca -0.01 0.88 -0.29 0.00 0.04 0.00 0.00 61.00 61.62 1wh4 s PRO 120 Cb -0.08 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.55 1wh4 s PRO 120 CO 0.01 -1.84 1.73 -1.25 0.04 0.00 0.00 177.00 175.69 1wh4 s PRO 121 N -4.99 3.78 0.58 0.56 0.04 -1.26 -5.00 135.00 128.71 1wh4 s PRO 121 Ca 0.62 1.85 -0.19 0.00 0.04 0.00 0.00 61.00 63.32 1wh4 s PRO 121 Cb -0.17 -4.09 -0.04 0.00 0.04 0.00 0.00 34.50 30.25 1wh4 s PRO 121 CO 0.56 -1.32 1.15 0.45 0.04 0.00 0.00 177.00 177.88 1wh4 s SER 122 N 4.68 5.46 0.00 6.66 0.15 -1.26 -5.00 113.70 124.39 1wh4 s SER 122 Ca 0.77 2.22 0.00 0.00 0.70 0.00 0.00 55.95 59.64 1wh4 s SER 122 Cb -0.28 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.44 1wh4 s SER 122 CO 0.31 -1.40 0.00 0.61 1.20 0.00 0.00 173.24 173.96 1wh4 n GLY 123 N 0.18 -1.98 3.74 9.45 0.00 -1.26 -5.17 105.19 110.15 1wh4 n GLY 123 Ca 0.12 0.93 -0.30 0.00 0.00 0.00 0.00 46.02 46.77 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 1.71 -0.07 1.61 0.04 -1.26 -5.03 135.00 132.00 1wh4 s PRO 124 Ca 0.00 1.00 -0.01 0.00 0.04 0.00 0.00 61.00 62.04 1wh4 s PRO 124 Cb 0.00 -1.85 -0.00 0.00 0.04 0.00 0.00 34.50 32.69 1wh4 s PRO 124 CO 0.00 -1.98 -0.01 0.66 0.04 0.00 0.00 177.00 175.71 1wh4 h SER 125 N -1.37 0.00 0.00 6.66 4.64 -2.06 -3.47 113.55 117.96 1wh4 h SER 125 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1wh4 h SER 125 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1wh4 h SER 125 CO 0.53 0.34 0.00 -1.54 -0.87 0.00 0.00 176.83 175.28 1wh4 n SER 126 N -3.77 0.00 0.00 4.97 3.41 -1.26 -5.37 113.62 111.61 1wh4 n SER 126 Ca -0.01 -0.19 0.00 0.00 -0.26 0.00 0.00 58.87 58.41 1wh4 n SER 126 Cb 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 1wh4 n SER 126 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49