#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 6.61 0.23 1.61 0.01 -1.26 -5.03 113.70 115.87 1wh4 s SER 2 Ca 0.00 2.78 -0.12 0.00 1.31 0.00 0.00 55.95 59.92 1wh4 s SER 2 Cb 0.00 -2.64 -0.00 0.00 0.21 0.00 0.00 66.02 63.58 1wh4 s SER 2 CO 0.00 -0.69 0.43 -0.94 0.41 0.00 0.00 173.24 172.45 1wh4 s SER 3 N -0.06 -0.07 -0.30 2.44 1.04 -1.26 -5.16 113.70 110.33 1wh4 s SER 3 Ca 0.54 -0.90 -0.08 0.00 0.48 0.00 0.00 55.95 55.99 1wh4 s SER 3 Cb -0.43 0.55 0.19 0.00 0.10 0.00 0.00 66.02 66.43 1wh4 s SER 3 CO 0.52 -1.08 0.95 -0.83 0.98 0.00 0.00 173.24 173.78 1wh4 s GLY 4 N -3.00 -0.93 -0.39 7.32 0.00 -1.26 -5.09 107.32 103.96 1wh4 s GLY 4 Ca 0.21 1.98 0.02 0.00 0.00 0.00 0.00 44.72 46.94 1wh4 s GLY 4 CO 0.07 3.99 0.29 -0.56 0.00 0.00 0.00 173.10 176.88 1wh4 s SER 5 N 2.93 2.02 -0.70 1.64 0.01 -1.26 -5.09 113.70 113.25 1wh4 s SER 5 Ca 0.21 -2.74 -0.26 0.00 1.31 0.00 0.00 55.95 54.48 1wh4 s SER 5 Cb -0.04 -0.43 -0.02 0.00 0.21 0.00 0.00 66.02 65.74 1wh4 s SER 5 CO -0.22 -0.22 1.81 -0.55 0.41 0.00 0.00 173.24 174.46 1wh4 s SER 6 N 0.44 5.37 0.00 2.44 0.15 -1.26 -4.93 113.70 115.90 1wh4 s SER 6 Ca 0.27 -0.03 0.00 0.00 0.70 0.00 0.00 55.95 56.90 1wh4 s SER 6 Cb -0.06 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.71 1wh4 s SER 6 CO -0.12 -2.38 0.00 0.61 1.20 0.00 0.00 173.24 172.55 1wh4 n GLY 7 N 5.97 0.76 3.63 9.45 0.00 -1.26 -4.98 105.19 118.76 1wh4 n GLY 7 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.85 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 0.00 1.44 0.00 1.61 2.00 -1.26 -4.94 117.12 115.97 1wh4 n MET 8 Ca 0.00 0.52 0.00 0.00 0.00 0.00 0.00 57.70 58.22 1wh4 n MET 8 Cb 0.00 -2.15 0.00 0.00 0.00 0.00 0.00 33.22 31.07 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 0.26 0.93 -4.07 7.83 2.85 -1.26 -5.10 115.26 116.70 1wh4 n ASN 9 Ca 0.09 0.00 -0.10 0.00 -0.11 0.00 0.00 54.58 54.46 1wh4 n ASN 9 Cb 0.40 0.00 -0.11 0.00 1.24 0.00 0.00 39.78 41.32 1wh4 n ASN 9 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1wh4 s LYS 10 N -1.48 0.56 1.32 1.20 3.01 -1.26 -5.17 119.74 117.92 1wh4 s LYS 10 Ca 0.00 -0.95 -0.22 0.00 -1.01 0.00 0.00 55.97 53.80 1wh4 s LYS 10 Cb 0.00 -0.07 0.33 0.00 -1.01 0.00 0.00 37.83 37.08 1wh4 s LYS 10 CO 0.00 -0.02 1.03 -2.14 0.51 0.00 0.00 175.35 174.72 1wh4 s PRO 11 N -2.55 -2.17 0.44 -1.68 0.02 -1.26 -5.10 135.00 122.70 1wh4 s PRO 11 Ca -0.03 -0.03 -0.07 0.00 0.02 0.00 0.00 61.00 60.89 1wh4 s PRO 11 Cb -0.03 -1.48 0.10 0.00 0.02 0.00 0.00 34.50 33.11 1wh4 s PRO 11 CO -0.03 -4.34 0.60 1.47 -0.33 0.00 0.00 177.00 174.36 1wh4 n LEU 12 N -5.22 0.00 -4.18 -5.54 -0.00 -1.26 -5.16 117.00 95.64 1wh4 n LEU 12 Ca 0.14 -0.70 -0.15 0.00 -0.00 0.00 0.00 56.01 55.30 1wh4 n LEU 12 Cb 0.60 -0.45 -0.11 0.00 -0.00 0.00 0.00 43.42 43.46 1wh4 n LEU 12 CO 0.43 -0.92 -0.42 0.42 -0.00 0.00 0.00 177.39 176.90 1wh4 s THR 13 N -2.24 0.98 -0.15 1.47 -4.23 -1.26 -5.04 115.64 105.16 1wh4 s THR 13 Ca 0.34 -1.68 0.28 0.00 -1.18 0.00 0.00 61.69 59.45 1wh4 s THR 13 Cb -0.01 -1.41 0.29 0.00 1.34 0.00 0.00 72.50 72.72 1wh4 s THR 13 CO 0.24 -0.57 1.83 1.55 -0.54 0.00 0.00 174.62 177.14 1wh4 h PRO 14 N 3.50 0.00 -0.05 3.99 0.13 -1.95 -0.49 132.00 137.13 1wh4 h PRO 14 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1wh4 h PRO 14 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1wh4 h PRO 14 CO 0.54 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.18 1wh4 n SER 15 N -2.51 2.72 -4.77 1.44 3.41 -1.26 -0.65 113.62 112.00 1wh4 n SER 15 Ca 0.00 -1.90 -0.40 0.00 -0.26 0.00 0.00 58.87 56.32 1wh4 n SER 15 Cb 0.17 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.11 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 -1.96 2.37 0.46 6.66 2.01 -0.19 -4.85 115.64 120.14 1wh4 s THR 16 Ca 0.31 0.34 -0.17 0.00 0.31 0.00 0.00 61.69 62.48 1wh4 s THR 16 Cb 0.20 -3.20 -0.09 0.00 0.01 0.00 0.00 72.50 69.43 1wh4 s THR 16 CO 0.31 0.05 0.92 -0.31 -0.69 0.00 0.00 174.62 174.90 1wh4 s TYR 17 N -1.23 3.41 0.22 4.92 2.02 -1.26 -0.53 117.35 124.91 1wh4 s TYR 17 Ca 0.58 1.42 -0.08 0.00 -0.37 0.00 0.00 57.07 58.62 1wh4 s TYR 17 Cb -0.41 -2.73 0.23 0.00 -0.40 0.00 0.00 41.96 38.65 1wh4 s TYR 17 CO 0.53 -0.22 1.87 0.82 -1.57 0.00 0.00 175.55 176.97 1wh4 h ILE 18 N 1.29 1.13 -0.59 2.71 1.08 -1.84 -0.75 117.51 120.54 1wh4 h ILE 18 Ca -0.47 -0.35 0.14 0.00 -0.39 0.00 0.00 64.86 63.79 1wh4 h ILE 18 Cb 1.18 0.03 -0.03 0.00 -3.07 0.00 0.00 36.82 34.94 1wh4 h ILE 18 CO 0.62 0.18 0.41 0.08 -0.69 0.00 0.00 178.15 178.76 1wh4 h ARG 19 N 1.01 0.15 0.00 2.37 -0.00 -1.84 -1.19 114.38 114.87 1wh4 h ARG 19 Ca 0.32 -0.01 0.00 0.00 -0.00 0.00 0.00 59.98 60.29 1wh4 h ARG 19 Cb 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 29.97 29.94 1wh4 h ARG 19 CO -0.11 0.10 0.00 -0.97 -0.00 0.00 0.00 179.97 178.99 1wh4 h ASN 20 N 0.16 0.00 -2.49 0.08 -0.73 -1.52 -3.44 115.58 107.64 1wh4 h ASN 20 Ca 0.28 0.00 -0.53 0.00 1.87 0.00 0.00 56.30 57.92 1wh4 h ASN 20 Cb 0.91 0.00 0.02 0.00 0.27 0.00 0.00 38.32 39.51 1wh4 h ASN 20 CO -0.04 0.00 1.15 -0.76 -0.37 0.00 0.00 177.43 177.41 1wh4 s LEU 21 N -5.24 4.39 0.80 0.34 1.43 -0.45 -4.94 118.68 115.01 1wh4 s LEU 21 Ca 0.07 2.55 -0.14 0.00 -1.03 0.00 0.00 54.13 55.59 1wh4 s LEU 21 Cb 0.09 -3.54 0.06 0.00 0.03 0.00 0.00 46.19 42.84 1wh4 s LEU 21 CO 0.58 -1.00 1.09 -3.20 0.23 0.00 0.00 176.35 174.06 1wh4 n ASN 22 N 6.96 0.67 -0.24 2.29 2.85 -1.26 -4.62 115.26 121.90 1wh4 n ASN 22 Ca 0.18 0.58 0.19 0.00 -0.11 0.00 0.00 54.58 55.43 1wh4 n ASN 22 Cb 0.41 -1.46 0.51 0.00 1.24 0.00 0.00 39.78 40.47 1wh4 n ASN 22 CO 0.00 0.00 0.00 1.62 -2.11 0.00 0.00 177.26 176.77 1wh4 h VAL 23 N -0.83 0.68 0.13 3.44 3.04 -1.94 -0.49 116.25 120.29 1wh4 h VAL 23 Ca -0.46 -0.14 -0.01 0.00 -1.01 0.00 0.00 66.70 65.08 1wh4 h VAL 23 Cb 1.31 0.23 0.00 0.00 -2.01 0.00 0.00 31.29 30.82 1wh4 h VAL 23 CO 0.45 0.08 -0.06 1.23 -1.01 0.00 0.00 177.57 178.25 1wh4 h GLY 24 N 0.42 -0.18 0.81 3.17 0.00 -1.99 -0.08 103.07 105.21 1wh4 h GLY 24 Ca 0.47 0.07 0.05 0.00 0.00 0.00 0.00 47.33 47.91 1wh4 h GLY 24 CO -0.18 -0.07 0.58 -2.22 0.00 0.00 0.00 176.54 174.66 1wh4 h ILE 25 N -0.39 1.11 -0.76 2.60 5.03 -1.49 0.21 117.51 123.82 1wh4 h ILE 25 Ca -0.02 -0.38 0.04 0.00 -0.12 0.00 0.00 64.86 64.38 1wh4 h ILE 25 Cb 0.32 -0.09 -0.05 0.00 -3.03 0.00 0.00 36.82 33.97 1wh4 h ILE 25 CO 0.03 0.20 0.47 -0.07 -0.68 0.00 0.00 178.15 178.10 1wh4 h LEU 26 N 1.10 0.78 -0.67 1.44 3.38 -0.97 -0.13 115.31 120.23 1wh4 h LEU 26 Ca 0.38 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.33 1wh4 h LEU 26 Cb 0.08 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1wh4 h LEU 26 CO -0.14 0.53 0.35 0.03 0.09 0.00 0.00 178.44 179.30 1wh4 h ARG 27 N 0.92 0.94 -0.44 1.13 2.47 0.10 -1.57 114.38 117.93 1wh4 h ARG 27 Ca 0.31 -0.12 -0.07 0.00 -1.26 0.00 0.00 59.98 58.83 1wh4 h ARG 27 Cb 0.04 -0.18 -0.02 0.00 -1.65 0.00 0.00 29.97 28.16 1wh4 h ARG 27 CO -0.12 0.72 -0.02 0.87 0.56 0.00 0.00 179.97 181.98 1wh4 h LYS 28 N 0.92 0.78 -0.31 0.04 1.79 -0.18 0.04 116.57 119.65 1wh4 h LYS 28 Ca 0.23 -0.26 0.06 0.00 -2.18 0.00 0.00 60.65 58.51 1wh4 h LYS 28 Cb 0.06 -0.07 -0.06 0.00 -1.58 0.00 0.00 32.23 30.58 1wh4 h LYS 28 CO -0.04 0.86 -0.11 -0.07 -1.08 0.00 0.00 179.45 179.02 1wh4 h LEU 29 N 0.62 -0.37 -2.07 2.94 -0.00 -1.01 -2.46 115.31 112.96 1wh4 h LEU 29 Ca 0.12 0.10 0.03 0.00 -0.00 0.00 0.00 57.88 58.13 1wh4 h LEU 29 Cb 0.52 0.23 -0.00 0.00 -0.00 0.00 0.00 40.66 41.40 1wh4 h LEU 29 CO 0.03 -0.14 0.07 0.28 -0.00 0.00 0.00 178.44 178.68 1wh4 h SER 30 N -0.04 0.00 0.27 -0.43 0.02 -0.21 0.15 113.55 113.30 1wh4 h SER 30 Ca 0.15 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.07 1wh4 h SER 30 Cb 0.27 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.81 1wh4 h SER 30 CO -0.34 0.00 -0.16 0.44 -1.14 0.00 0.00 176.83 175.63 1wh4 h ASP 31 N 0.00 0.00 0.00 3.07 3.32 -0.53 -2.71 116.42 119.57 1wh4 h ASP 31 Ca 0.05 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.91 1wh4 h ASP 31 Cb 0.19 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.71 1wh4 h ASP 31 CO -0.00 0.16 -1.80 0.49 -1.72 0.00 0.00 179.24 176.37 1wh4 n PHE 32 N -3.98 0.00 -0.06 4.55 3.72 -0.42 -4.62 117.46 116.64 1wh4 n PHE 32 Ca -0.02 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.37 1wh4 n PHE 32 Cb 0.24 -0.55 -0.16 0.00 -0.94 0.00 0.00 39.48 38.07 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 -2.37 0.78 0.19 4.37 2.08 -0.09 -4.18 119.36 120.14 1wh4 n ILE 33 Ca -0.17 -0.70 -0.14 0.00 0.56 0.00 0.00 62.75 62.30 1wh4 n ILE 33 Cb 0.81 -0.26 -0.08 0.00 -0.75 0.00 0.00 39.64 39.35 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 -0.39 -4.05 4.38 1.82 -1.68 0.19 116.42 116.69 1wh4 h ASP 34 Ca -0.31 -0.08 -0.49 0.00 -0.39 0.00 0.00 57.03 55.76 1wh4 h ASP 34 Cb 1.69 0.10 0.18 0.00 0.68 0.00 0.00 39.33 41.98 1wh4 h ASP 34 CO 0.02 -0.16 0.21 -2.16 -1.61 0.00 0.00 179.24 175.54 1wh4 s PRO 35 N -5.46 0.93 -1.00 0.28 0.04 -1.26 -3.28 135.00 125.26 1wh4 s PRO 35 Ca -0.15 1.18 0.00 0.00 0.04 0.00 0.00 61.00 62.07 1wh4 s PRO 35 Cb 0.03 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.83 1wh4 s PRO 35 CO 0.60 -2.57 0.00 1.04 0.04 0.00 0.00 177.00 176.11 1wh4 n GLN 36 N -4.15 -1.70 -2.23 4.56 6.02 -1.26 -1.96 117.38 116.65 1wh4 n GLN 36 Ca 0.09 0.78 -0.19 0.00 -0.01 0.00 0.00 57.00 57.66 1wh4 n GLN 36 Cb 0.53 -5.09 -0.02 0.00 1.02 0.00 0.00 30.24 26.68 1wh4 n GLN 36 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1wh4 n GLU 37 N -0.68 -1.73 -0.27 -1.09 1.02 -1.21 -4.90 120.64 111.80 1wh4 n GLU 37 Ca -0.09 0.96 0.17 0.00 -0.02 0.00 0.00 57.16 58.18 1wh4 n GLU 37 Cb 0.53 -5.55 0.46 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 0.00 1.10 0.81 0.62 0.00 -0.91 -0.75 103.07 103.94 1wh4 h GLY 38 Ca -0.44 -0.24 -0.05 0.00 0.00 0.00 0.00 47.33 46.61 1wh4 h GLY 38 CO 0.54 -0.00 -0.06 0.11 0.00 0.00 0.00 176.54 177.13 1wh4 h TRP 39 N 0.52 0.46 -0.66 5.60 5.08 -0.92 -1.19 115.95 124.83 1wh4 h TRP 39 Ca 0.49 -0.10 0.06 0.00 1.08 0.00 0.00 58.89 60.42 1wh4 h TRP 39 Cb 1.06 -0.11 -0.06 0.00 -3.00 0.00 0.00 29.16 27.06 1wh4 h TRP 39 CO -0.00 0.66 0.37 0.87 -1.28 0.00 0.00 178.44 179.05 1wh4 h LYS 40 N 0.13 0.66 0.37 0.12 1.57 -1.47 0.19 116.57 118.13 1wh4 h LYS 40 Ca 0.05 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 1wh4 h LYS 40 Cb 0.51 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1wh4 h LYS 40 CO 0.02 0.43 -0.19 0.87 -0.57 0.00 0.00 179.45 180.02 1wh4 h LYS 41 N 0.68 -0.50 -0.39 3.15 1.57 -1.12 -1.25 116.57 118.72 1wh4 h LYS 41 Ca 0.30 0.03 0.06 0.00 -1.87 0.00 0.00 60.65 59.17 1wh4 h LYS 41 Cb 0.19 0.11 -0.05 0.00 0.08 0.00 0.00 32.23 32.56 1wh4 h LYS 41 CO -0.19 -0.33 0.07 1.25 -0.57 0.00 0.00 179.45 179.68 1wh4 h LEU 42 N -0.51 -0.01 -0.11 2.94 7.12 -0.71 -0.81 115.31 123.22 1wh4 h LEU 42 Ca -0.05 0.07 0.03 0.00 0.13 0.00 0.00 57.88 58.06 1wh4 h LEU 42 Cb 0.40 0.10 -0.03 0.00 -0.53 0.00 0.00 40.66 40.59 1wh4 h LEU 42 CO 0.08 0.03 -0.09 0.00 -0.13 0.00 0.00 178.44 178.33 1wh4 h ALA 43 N 1.30 -0.00 0.00 1.25 0.00 -0.77 -2.15 119.26 118.89 1wh4 h ALA 43 Ca 0.19 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1wh4 h ALA 43 Cb 0.23 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1wh4 h ALA 43 CO -0.25 -0.54 0.00 -0.39 0.00 0.00 0.00 179.25 178.06 1wh4 h VAL 44 N -0.10 0.00 -0.13 0.00 -1.51 -0.80 -2.70 116.25 111.00 1wh4 h VAL 44 Ca 0.07 -0.40 -0.23 0.00 -1.23 0.00 0.00 66.70 64.91 1wh4 h VAL 44 Cb 0.21 1.27 0.01 0.00 -2.13 0.00 0.00 31.29 30.65 1wh4 h VAL 44 CO -0.17 0.00 -0.81 0.00 -1.23 0.00 0.00 177.57 175.36 1wh4 h ALA 45 N 2.20 0.28 -2.45 5.19 0.00 -0.55 -3.46 119.26 120.47 1wh4 h ALA 45 Ca 0.00 -0.61 -0.53 0.00 0.00 0.00 0.00 54.91 53.77 1wh4 h ALA 45 Cb 0.50 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.31 1wh4 h ALA 45 CO 0.00 0.67 0.94 0.42 0.00 0.00 0.00 179.25 181.28 1wh4 s ILE 46 N -3.69 3.15 0.30 0.00 1.01 -0.88 -5.03 121.20 116.06 1wh4 s ILE 46 Ca -0.10 0.63 0.10 0.00 0.00 0.00 0.00 60.65 61.27 1wh4 s ILE 46 Cb 0.08 -3.40 -0.05 0.00 0.01 0.00 0.00 42.46 39.10 1wh4 s ILE 46 CO 0.91 0.00 -0.00 -0.54 0.00 0.00 0.00 174.94 175.31 1wh4 s LYS 47 N 2.39 2.17 1.04 2.79 -0.14 -1.26 -3.17 119.74 123.55 1wh4 s LYS 47 Ca 0.71 -1.57 -0.14 0.00 -1.36 0.00 0.00 55.97 53.62 1wh4 s LYS 47 Cb -0.38 -2.05 0.21 0.00 -1.68 0.00 0.00 37.83 33.92 1wh4 s LYS 47 CO 0.31 0.26 1.10 0.15 -0.76 0.00 0.00 175.35 176.42 1wh4 s LYS 48 N -3.69 0.13 0.47 1.68 1.02 0.15 -4.80 119.74 114.70 1wh4 s LYS 48 Ca 0.33 0.35 0.32 0.00 0.02 0.00 0.00 55.97 56.99 1wh4 s LYS 48 Cb -0.04 -1.72 1.68 0.00 -0.52 0.00 0.00 37.83 37.24 1wh4 s LYS 48 CO 0.20 -2.90 1.98 -1.35 -0.92 0.00 0.00 175.35 172.36 1wh4 h PRO 49 N -2.01 0.00 0.00 -1.68 0.11 -2.01 -0.02 132.00 126.40 1wh4 h PRO 49 Ca -0.53 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1wh4 h PRO 49 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 1wh4 h PRO 49 CO 0.54 0.00 -0.74 0.43 -0.21 0.00 0.00 178.00 178.02 1wh4 n SER 50 N -2.65 0.69 0.00 -2.05 7.64 -1.26 -4.97 113.62 111.01 1wh4 n SER 50 Ca -0.02 -0.50 0.00 0.00 1.01 0.00 0.00 58.87 59.36 1wh4 n SER 50 Cb 0.09 0.58 0.00 0.00 -1.01 0.00 0.00 64.21 63.87 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 1.48 1.41 3.67 0.23 0.00 -0.02 -5.08 105.19 106.88 1wh4 n GLY 51 Ca 0.05 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.60 1wh4 n GLY 51 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wh4 n ASP 52 N 0.00 3.10 -4.55 1.61 8.00 -1.26 -4.40 116.55 119.04 1wh4 n ASP 52 Ca 0.00 1.07 -0.38 0.00 0.71 0.00 0.00 54.79 56.19 1wh4 n ASP 52 Cb 0.00 -1.41 -0.04 0.00 -0.02 0.00 0.00 41.12 39.65 1wh4 n ASP 52 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1wh4 n ASP 53 N 3.81 2.37 -0.25 -2.24 9.92 -1.26 -0.68 116.55 128.22 1wh4 n ASP 53 Ca 0.18 -0.34 0.04 0.00 -0.53 0.00 0.00 54.79 54.14 1wh4 n ASP 53 Cb 0.29 -1.54 0.27 0.00 -0.64 0.00 0.00 41.12 39.50 1wh4 n ASP 53 CO 0.00 0.00 0.00 0.03 0.13 0.00 0.00 177.20 177.36 1wh4 h ARG 54 N 18.34 0.92 -2.51 -1.24 3.08 -1.85 -3.34 114.38 127.78 1wh4 h ARG 54 Ca -0.26 -0.06 -0.60 0.00 0.07 0.00 0.00 59.98 59.14 1wh4 h ARG 54 Cb 1.27 -0.21 -0.40 0.00 0.08 0.00 0.00 29.97 30.71 1wh4 h ARG 54 CO 1.13 0.61 -0.85 0.66 -1.07 0.00 0.00 179.97 180.45 1wh4 n TYR 55 N -4.47 0.70 -0.46 3.04 4.01 -1.26 -4.98 117.16 113.73 1wh4 n TYR 55 Ca 0.12 -3.69 -0.28 0.00 -0.16 0.00 0.00 57.90 53.88 1wh4 n TYR 55 Cb 0.17 -0.13 0.27 0.00 -0.31 0.00 0.00 39.34 39.34 1wh4 n TYR 55 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 1wh4 s ASN 56 N -0.73 0.44 0.42 7.72 0.01 -1.25 -4.52 114.94 117.02 1wh4 s ASN 56 Ca 0.31 1.43 0.22 0.00 -0.71 0.00 0.00 52.86 54.11 1wh4 s ASN 56 Cb 0.04 -2.20 1.20 0.00 0.41 0.00 0.00 41.25 40.70 1wh4 s ASN 56 CO -0.17 -4.52 1.77 1.56 -1.51 0.00 0.00 177.10 174.23 1wh4 h GLN 57 N -2.84 0.30 -0.12 -0.60 4.20 -1.98 0.38 115.11 114.45 1wh4 h GLN 57 Ca -0.61 -0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.11 1wh4 h GLN 57 Cb 1.34 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 29.05 1wh4 h GLN 57 CO 0.48 0.20 0.13 0.35 -0.67 0.00 0.00 178.83 179.32 1wh4 h PHE 58 N 0.31 0.00 0.03 2.96 3.57 -2.00 0.15 116.94 121.96 1wh4 h PHE 58 Ca 0.60 0.00 -0.38 0.00 3.53 0.00 0.00 57.97 61.72 1wh4 h PHE 58 Cb 1.69 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 40.38 1wh4 h PHE 58 CO -0.00 0.00 -2.20 0.72 -2.23 0.00 0.00 178.31 174.59 1wh4 n HIS 59 N -3.79 0.43 -0.20 0.41 8.25 0.03 -4.40 115.22 115.95 1wh4 n HIS 59 Ca -0.00 0.13 -0.00 0.00 -0.26 0.00 0.00 57.72 57.58 1wh4 n HIS 59 Cb 0.24 -1.05 0.10 0.00 1.12 0.00 0.00 29.99 30.40 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 -0.42 0.79 -0.66 1.59 1.08 -0.55 -1.65 117.51 117.67 1wh4 h ILE 60 Ca -0.55 -0.14 -0.00 0.00 -0.39 0.00 0.00 64.86 63.78 1wh4 h ILE 60 Cb 1.76 0.34 -0.03 0.00 -3.07 0.00 0.00 36.82 35.81 1wh4 h ILE 60 CO -0.17 0.08 0.41 0.03 -0.69 0.00 0.00 178.15 177.81 1wh4 h ARG 61 N 0.42 0.89 0.60 2.37 2.47 -0.97 0.28 114.38 120.43 1wh4 h ARG 61 Ca 0.30 -0.07 -0.03 0.00 -1.26 0.00 0.00 59.98 58.92 1wh4 h ARG 61 Cb 0.35 -0.19 0.01 0.00 -1.65 0.00 0.00 29.97 28.49 1wh4 h ARG 61 CO -0.29 0.62 -0.29 0.00 0.56 0.00 0.00 179.97 180.57 1wh4 h ARG 62 N 0.91 -0.77 -0.38 0.04 2.47 -1.54 -0.80 114.38 114.31 1wh4 h ARG 62 Ca 0.24 0.05 0.08 0.00 -1.26 0.00 0.00 59.98 59.10 1wh4 h ARG 62 Cb -0.05 0.18 -0.02 0.00 -1.65 0.00 0.00 29.97 28.43 1wh4 h ARG 62 CO -0.05 -0.50 0.27 0.74 0.56 0.00 0.00 179.97 180.99 1wh4 h PHE 63 N -0.84 0.15 0.72 3.04 0.04 -0.57 -1.10 116.94 118.38 1wh4 h PHE 63 Ca -0.08 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.66 1wh4 h PHE 63 Cb 0.63 -0.05 0.01 0.00 2.20 0.00 0.00 35.95 38.74 1wh4 h PHE 63 CO -0.03 0.07 -0.35 0.93 -0.60 0.00 0.00 178.31 178.34 1wh4 h GLU 64 N 0.14 -0.93 -0.95 1.51 5.08 -0.36 -2.78 114.58 116.29 1wh4 h GLU 64 Ca 0.18 0.06 0.25 0.00 -1.00 0.00 0.00 59.36 58.86 1wh4 h GLU 64 Cb 0.52 0.21 -0.13 0.00 0.50 0.00 0.00 28.75 29.85 1wh4 h GLU 64 CO -0.02 -0.62 0.48 0.00 -1.00 0.00 0.00 179.01 177.84 1wh4 h ALA 65 N -1.44 1.65 0.26 3.43 0.00 0.12 0.36 119.26 123.64 1wh4 h ALA 65 Ca -0.10 0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1wh4 h ALA 65 Cb 0.74 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 1wh4 h ALA 65 CO 0.16 -0.39 -0.47 -0.07 0.00 0.00 0.00 179.25 178.48 1wh4 h LEU 66 N 0.41 -1.36 -1.34 0.00 3.38 -1.45 -2.68 115.31 112.27 1wh4 h LEU 66 Ca 0.63 0.13 0.03 0.00 0.09 0.00 0.00 57.88 58.76 1wh4 h LEU 66 Cb 1.26 0.48 -0.04 0.00 0.09 0.00 0.00 40.66 42.46 1wh4 h LEU 66 CO -0.55 -0.57 0.46 0.17 0.09 0.00 0.00 178.44 178.05 1wh4 h LEU 67 N -0.80 0.75 0.00 1.67 8.10 -0.10 0.18 115.31 125.11 1wh4 h LEU 67 Ca -0.01 -0.01 0.00 0.00 0.11 0.00 0.00 57.88 57.96 1wh4 h LEU 67 Cb 0.76 -0.18 0.00 0.00 -0.44 0.00 0.00 40.66 40.81 1wh4 h LEU 67 CO -0.19 0.52 0.00 0.00 -4.11 0.00 0.00 178.44 174.66 1wh4 n GLN 68 N -4.45 0.17 -0.01 0.17 6.02 0.65 -1.83 117.38 118.11 1wh4 n GLN 68 Ca 0.08 0.17 0.01 0.00 -0.01 0.00 0.00 57.00 57.25 1wh4 n GLN 68 Cb 0.11 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.83 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 -1.28 0.07 0.00 5.09 -2.24 -0.33 -5.05 114.28 110.54 1wh4 n THR 69 Ca 0.06 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1wh4 n THR 69 Cb 0.09 0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.37 1wh4 n THR 69 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wh4 n GLY 70 N 2.40 1.22 3.72 3.38 0.00 -0.10 -5.11 105.19 110.70 1wh4 n GLY 70 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 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 0.00 2.45 -2.62 1.61 4.76 -0.83 -4.80 118.16 118.72 1wh4 n LYS 71 Ca 0.00 0.87 -0.43 0.00 -2.87 0.00 0.00 58.31 55.88 1wh4 n LYS 71 Cb 0.00 -2.61 -0.02 0.00 -1.84 0.00 0.00 35.03 30.56 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 0.44 7.04 0.27 4.39 0.15 -1.26 -2.43 113.70 122.31 1wh4 s SER 72 Ca 0.66 1.35 0.11 0.00 0.70 0.00 0.00 55.95 58.76 1wh4 s SER 72 Cb -0.56 -2.54 0.36 0.00 -1.71 0.00 0.00 66.02 61.57 1wh4 s SER 72 CO 0.48 -0.73 1.61 1.55 1.20 0.00 0.00 173.24 177.35 1wh4 h PRO 73 N 7.70 0.00 0.04 5.44 0.13 -1.91 -2.40 132.00 141.00 1wh4 h PRO 73 Ca -0.20 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.95 1wh4 h PRO 73 Cb 1.07 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.16 1wh4 h PRO 73 CO 0.99 0.62 -0.26 1.15 -0.23 0.00 0.00 178.00 180.27 1wh4 h THR 74 N 0.00 0.42 0.17 1.56 2.02 -1.91 0.29 112.91 115.45 1wh4 h THR 74 Ca -0.01 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 1wh4 h THR 74 Cb 1.10 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 67.93 1wh4 h THR 74 CO 0.08 0.00 -0.08 0.00 0.37 0.00 0.00 175.52 175.89 1wh4 h GLU 76 N -0.43 -0.76 -0.40 0.00 4.39 -1.47 -1.18 114.58 114.73 1wh4 h GLU 76 Ca -0.02 0.05 0.08 0.00 0.34 0.00 0.00 59.36 59.81 1wh4 h GLU 76 Cb 0.33 0.17 -0.08 0.00 -0.10 0.00 0.00 28.75 29.08 1wh4 h GLU 76 CO 0.04 -0.51 -0.14 1.25 -1.16 0.00 0.00 179.01 178.49 1wh4 h LEU 77 N -0.79 -0.51 -0.41 1.33 5.85 -0.82 0.35 115.31 120.31 1wh4 h LEU 77 Ca -0.05 0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.82 1wh4 h LEU 77 Cb 0.67 0.30 -0.03 0.00 0.37 0.00 0.00 40.66 41.97 1wh4 h LEU 77 CO 0.02 -0.18 0.25 -0.07 -0.34 0.00 0.00 178.44 178.12 1wh4 h LEU 78 N -0.06 0.42 -0.59 2.25 3.38 -0.91 0.32 115.31 120.12 1wh4 h LEU 78 Ca 0.20 -0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.03 1wh4 h LEU 78 Cb 0.36 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1wh4 h LEU 78 CO -0.44 0.30 -0.35 0.15 0.09 0.00 0.00 178.44 178.19 1wh4 h PHE 79 N 0.51 0.87 0.16 1.13 3.57 -0.13 -0.86 116.94 122.19 1wh4 h PHE 79 Ca 0.16 -0.24 -0.01 0.00 3.53 0.00 0.00 57.97 61.41 1wh4 h PHE 79 Cb -0.02 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 38.54 1wh4 h PHE 79 CO -0.06 0.98 -0.08 0.22 -2.23 0.00 0.00 178.31 177.14 1wh4 h ASP 80 N 0.62 -0.18 -0.69 0.41 1.82 -0.16 -2.99 116.42 115.25 1wh4 h ASP 80 Ca 0.06 -0.22 0.03 0.00 -0.39 0.00 0.00 57.03 56.51 1wh4 h ASP 80 Cb 0.88 0.05 -0.04 0.00 0.68 0.00 0.00 39.33 40.90 1wh4 h ASP 80 CO 0.08 0.13 0.46 -0.25 -1.61 0.00 0.00 179.24 178.04 1wh4 h TRP 81 N -0.51 0.82 -0.11 0.28 7.01 -0.93 -3.05 115.95 119.47 1wh4 h TRP 81 Ca -0.02 0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.03 1wh4 h TRP 81 Cb 0.39 -0.28 -0.00 0.00 -2.10 0.00 0.00 29.16 27.17 1wh4 h TRP 81 CO 0.02 0.49 0.19 0.78 -2.79 0.00 0.00 178.44 177.13 1wh4 h GLY 82 N 0.86 0.00 1.18 2.65 0.00 -0.99 0.79 103.07 107.56 1wh4 h GLY 82 Ca 0.27 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.48 1wh4 h GLY 82 CO -0.07 0.00 -1.14 0.00 0.00 0.00 0.00 176.54 175.33 1wh4 h THR 83 N 0.00 0.43 0.00 4.70 1.03 -1.64 -3.38 112.91 114.05 1wh4 h THR 83 Ca 0.05 -1.78 -0.03 0.00 -0.01 0.00 0.00 66.41 64.64 1wh4 h THR 83 Cb 0.44 1.98 -0.00 0.00 -1.07 0.00 0.00 68.15 69.49 1wh4 h THR 83 CO -0.00 0.25 -0.15 0.74 -0.01 0.00 0.00 175.52 176.35 1wh4 h THR 84 N 0.00 0.62 0.00 0.00 2.02 -0.96 -3.45 112.91 111.14 1wh4 h THR 84 Ca -0.10 -0.65 0.00 0.00 0.77 0.00 0.00 66.41 66.43 1wh4 h THR 84 Cb 1.41 1.41 0.00 0.00 -1.74 0.00 0.00 68.15 69.24 1wh4 h THR 84 CO 0.04 0.15 0.00 0.59 0.37 0.00 0.00 175.52 176.66 1wh4 n ASN 85 N -3.66 0.00 -4.25 4.18 5.03 -1.24 -5.14 115.26 110.18 1wh4 n ASN 85 Ca -0.02 0.00 -0.14 0.00 0.87 0.00 0.00 54.58 55.29 1wh4 n ASN 85 Cb 0.27 0.00 -0.10 0.00 -1.02 0.00 0.00 39.78 38.93 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 -3.61 0.87 0.26 0.00 -4.23 -1.26 -4.10 115.64 103.57 1wh4 s THR 87 Ca 0.24 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.74 1wh4 s THR 87 Cb 0.06 -2.60 0.24 0.00 1.34 0.00 0.00 72.50 71.54 1wh4 s THR 87 CO 0.04 0.00 1.78 0.58 -0.54 0.00 0.00 174.62 176.48 1wh4 h VAL 88 N 2.03 0.77 -0.27 2.29 2.07 -0.88 -0.82 116.25 121.43 1wh4 h VAL 88 Ca -0.38 -0.23 -0.11 0.00 0.82 0.00 0.00 66.70 66.80 1wh4 h VAL 88 Cb 1.26 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 1wh4 h VAL 88 CO 0.63 0.12 -0.28 1.23 0.02 0.00 0.00 177.57 179.29 1wh4 h GLY 89 N 0.68 0.58 0.98 2.17 0.00 -1.14 -1.05 103.07 105.29 1wh4 h GLY 89 Ca 0.46 -0.50 0.01 0.00 0.00 0.00 0.00 47.33 47.29 1wh4 h GLY 89 CO -0.34 0.46 0.35 -1.80 0.00 0.00 0.00 176.54 175.22 1wh4 h ASP 90 N 0.47 0.61 0.98 0.19 1.82 -1.51 -2.07 116.42 116.89 1wh4 h ASP 90 Ca 0.06 -0.01 -0.05 0.00 -0.39 0.00 0.00 57.03 56.64 1wh4 h ASP 90 Cb 0.73 -0.15 0.01 0.00 0.68 0.00 0.00 39.33 40.61 1wh4 h ASP 90 CO 0.06 0.44 -0.47 0.25 -1.61 0.00 0.00 179.24 177.90 1wh4 h LEU 91 N 0.72 -1.11 -0.84 2.28 5.85 -0.73 -2.91 115.31 118.57 1wh4 h LEU 91 Ca 0.20 0.04 0.21 0.00 0.84 0.00 0.00 57.88 59.17 1wh4 h LEU 91 Cb -0.06 0.29 -0.14 0.00 0.37 0.00 0.00 40.66 41.11 1wh4 h LEU 91 CO -0.05 -0.78 0.08 0.58 -0.34 0.00 0.00 178.44 177.92 1wh4 h VAL 92 N -1.33 0.28 0.15 1.05 2.07 -1.18 -0.29 116.25 117.00 1wh4 h VAL 92 Ca -0.13 -0.04 0.01 0.00 0.82 0.00 0.00 66.70 67.35 1wh4 h VAL 92 Cb 1.01 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 1wh4 h VAL 92 CO 0.22 0.02 -0.18 0.44 0.02 0.00 0.00 177.57 178.09 1wh4 h ASP 93 N 0.12 -0.48 -0.75 0.57 3.32 -1.19 -0.98 116.42 117.04 1wh4 h ASP 93 Ca 0.49 0.05 -0.05 0.00 0.02 0.00 0.00 57.03 57.54 1wh4 h ASP 93 Cb 0.93 0.17 -0.03 0.00 0.22 0.00 0.00 39.33 40.62 1wh4 h ASP 93 CO -0.71 -0.26 0.28 -0.07 -1.72 0.00 0.00 179.24 176.76 1wh4 h LEU 94 N -0.37 1.04 -0.94 1.55 3.38 -1.29 -2.69 115.31 115.98 1wh4 h LEU 94 Ca 0.01 -0.18 0.06 0.00 0.09 0.00 0.00 57.88 57.86 1wh4 h LEU 94 Cb 0.37 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.78 1wh4 h LEU 94 CO -0.06 0.94 0.60 -0.07 0.09 0.00 0.00 178.44 179.94 1wh4 h LEU 95 N 1.08 0.96 -0.96 1.67 3.38 -0.28 -0.52 115.31 120.65 1wh4 h LEU 95 Ca 0.25 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.15 1wh4 h LEU 95 Cb 0.23 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1wh4 h LEU 95 CO -0.02 0.62 -0.09 0.58 0.09 0.00 0.00 178.44 179.63 1wh4 h VAL 96 N 1.10 1.24 -0.25 1.22 2.07 -0.89 0.14 116.25 120.89 1wh4 h VAL 96 Ca 0.40 -1.06 -0.04 0.00 0.82 0.00 0.00 66.70 66.82 1wh4 h VAL 96 Cb 0.15 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 1wh4 h VAL 96 CO -0.17 0.36 -0.02 0.06 0.02 0.00 0.00 177.57 177.82 1wh4 h GLN 97 N 0.60 0.38 -0.14 1.57 3.07 -0.91 -1.87 115.11 117.83 1wh4 h GLN 97 Ca 0.11 -0.07 0.00 0.00 0.09 0.00 0.00 58.65 58.78 1wh4 h GLN 97 Cb 0.51 -0.06 0.00 0.00 0.08 0.00 0.00 27.48 28.01 1wh4 h GLN 97 CO 0.03 0.43 0.00 0.44 0.09 0.00 0.00 178.83 179.82 1wh4 n ILE 98 N -4.31 0.16 -1.49 1.86 -5.35 -0.81 -4.96 119.36 104.47 1wh4 n ILE 98 Ca 0.01 -0.41 -0.06 0.00 -0.27 0.00 0.00 62.75 62.01 1wh4 n ILE 98 Cb 0.23 0.72 -0.02 0.00 -1.74 0.00 0.00 39.64 38.82 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 0.66 -0.43 -2.26 6.28 2.13 -0.70 -4.97 120.64 121.35 1wh4 n GLU 99 Ca 0.17 0.56 -0.41 0.00 0.66 0.00 0.00 57.16 58.14 1wh4 n GLU 99 Cb 0.43 -4.34 0.00 0.00 0.27 0.00 0.00 31.44 27.81 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 -0.73 7.47 -0.09 4.31 7.99 0.44 -4.76 117.00 131.63 1wh4 n LEU 100 Ca -0.06 -4.94 -0.08 0.00 -0.01 0.00 0.00 56.01 50.92 1wh4 n LEU 100 Cb 0.32 -1.35 0.08 0.00 -0.11 0.00 0.00 43.42 42.36 1wh4 n LEU 100 CO 0.09 1.86 0.71 -0.26 -1.51 0.00 0.00 177.39 178.28 1wh4 h PHE 101 N 4.89 0.90 0.05 -1.77 0.04 -1.93 -2.89 116.94 116.24 1wh4 h PHE 101 Ca 0.56 -0.20 0.03 0.00 2.80 0.00 0.00 57.97 61.15 1wh4 h PHE 101 Cb 0.41 -0.22 -0.05 0.00 2.20 0.00 0.00 35.95 38.30 1wh4 h PHE 101 CO 1.43 0.93 -0.35 0.00 -0.60 0.00 0.00 178.31 179.72 1wh4 h ALA 102 N 1.06 -0.55 -0.26 2.45 0.00 -1.97 0.15 119.26 120.14 1wh4 h ALA 102 Ca 0.10 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.83 1wh4 h ALA 102 Cb 0.73 0.60 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 1wh4 h ALA 102 CO 0.06 -0.88 -0.41 -1.00 0.00 0.00 0.00 179.25 177.02 1wh4 h PRO 103 N -0.53 0.62 -0.55 0.00 0.13 -1.94 -1.84 132.00 127.88 1wh4 h PRO 103 Ca 0.05 -0.32 0.10 0.00 -0.87 0.00 0.00 66.00 64.96 1wh4 h PRO 103 Cb 0.60 0.01 -0.08 0.00 0.13 0.00 0.00 31.00 31.66 1wh4 h PRO 103 CO -0.25 0.91 0.14 0.00 -0.23 0.00 0.00 178.00 178.57 1wh4 h ALA 104 N 1.05 0.66 -0.07 -0.56 0.00 -1.32 -2.62 119.26 116.39 1wh4 h ALA 104 Ca 0.04 0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 1wh4 h ALA 104 Cb 0.92 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1wh4 h ALA 104 CO 0.08 -0.28 -0.42 1.15 0.00 0.00 0.00 179.25 179.78 1wh4 h THR 105 N 0.28 1.31 -0.57 0.00 2.02 -0.33 0.20 112.91 115.83 1wh4 h THR 105 Ca 0.28 -1.51 -0.08 0.00 0.77 0.00 0.00 66.41 65.87 1wh4 h THR 105 Cb 0.39 1.72 -0.02 0.00 -1.74 0.00 0.00 68.15 68.50 1wh4 h THR 105 CO -0.35 0.45 0.04 0.25 0.37 0.00 0.00 175.52 176.27 1wh4 h LEU 106 N 0.14 0.91 0.08 2.58 5.85 -1.00 -1.98 115.31 121.87 1wh4 h LEU 106 Ca 0.01 -0.23 -0.00 0.00 0.84 0.00 0.00 57.88 58.50 1wh4 h LEU 106 Cb 0.80 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.59 1wh4 h LEU 106 CO 0.06 0.95 -0.04 -0.07 -0.34 0.00 0.00 178.44 179.00 1wh4 h LEU 107 N 0.88 -0.09 -6.56 2.25 3.38 -1.03 -3.44 115.31 110.69 1wh4 h LEU 107 Ca 0.17 -0.48 -0.45 0.00 0.09 0.00 0.00 57.88 57.21 1wh4 h LEU 107 Cb 0.47 0.02 -0.36 0.00 0.09 0.00 0.00 40.66 40.88 1wh4 h LEU 107 CO 0.02 0.59 -0.74 -0.76 0.09 0.00 0.00 178.44 177.64 1wh4 s LEU 108 N -8.67 0.29 0.48 1.67 1.43 0.65 -4.72 118.68 109.81 1wh4 s LEU 108 Ca -0.12 -1.42 0.24 0.00 -1.03 0.00 0.00 54.13 51.80 1wh4 s LEU 108 Cb -0.01 0.08 1.19 0.00 0.03 0.00 0.00 46.19 47.49 1wh4 s LEU 108 CO 0.45 -0.35 1.97 1.55 0.23 0.00 0.00 176.35 180.19 1wh4 h PRO 109 N 7.73 0.00 0.00 1.29 0.13 -1.52 -2.95 132.00 136.68 1wh4 h PRO 109 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1wh4 h PRO 109 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1wh4 h PRO 109 CO 0.31 0.19 -0.55 -0.25 -0.23 0.00 0.00 178.00 177.48 1wh4 n ASP 110 N -3.64 0.53 0.01 1.44 8.00 -1.26 -3.96 116.55 117.67 1wh4 n ASP 110 Ca -0.01 -0.20 -0.18 0.00 0.71 0.00 0.00 54.79 55.11 1wh4 n ASP 110 Cb 0.32 0.27 -0.11 0.00 -0.02 0.00 0.00 41.12 41.57 1wh4 n ASP 110 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wh4 h ALA 111 N 2.91 0.08 -2.88 2.24 0.00 -1.88 -3.46 119.26 116.27 1wh4 h ALA 111 Ca 0.00 -0.59 -0.53 0.00 0.00 0.00 0.00 54.91 53.79 1wh4 h ALA 111 Cb 0.55 0.04 0.08 0.00 0.00 0.00 0.00 17.79 18.45 1wh4 h ALA 111 CO 0.00 0.40 0.64 0.54 0.00 0.00 0.00 179.25 180.83 1wh4 s VAL 112 N -3.21 2.60 -1.42 0.00 0.11 -1.25 -4.89 120.40 112.34 1wh4 s VAL 112 Ca -0.13 0.58 -0.10 0.00 -2.93 0.00 0.00 61.98 59.40 1wh4 s VAL 112 Cb 0.04 -3.35 -0.07 0.00 -1.53 0.00 0.00 36.38 31.47 1wh4 s VAL 112 CO 0.84 0.11 2.64 -0.81 -3.33 0.00 0.00 175.10 174.55 1wh4 n PRO 113 N 0.43 3.16 -0.04 1.54 -0.04 -1.26 -3.62 135.00 135.17 1wh4 n PRO 113 Ca 0.02 -2.09 0.00 0.00 -0.04 0.00 0.00 63.50 61.39 1wh4 n PRO 113 Cb 0.42 -2.80 0.00 0.00 -0.04 0.00 0.00 33.50 31.08 1wh4 n PRO 113 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1wh4 n GLN 114 N 4.21 0.00 -1.00 0.54 -0.06 -1.26 -5.16 117.38 114.65 1wh4 n GLN 114 Ca 0.67 0.00 -0.30 0.00 -2.00 0.00 0.00 57.00 55.37 1wh4 n GLN 114 Cb 0.24 0.00 0.15 0.00 -4.06 0.00 0.00 30.24 26.57 1wh4 n GLN 114 CO 0.00 0.00 0.00 -0.08 -0.20 0.00 0.00 177.06 176.78 1wh4 s THR 115 N 0.00 2.61 0.00 1.69 -1.32 -1.24 -5.02 115.64 112.36 1wh4 s THR 115 Ca 0.00 0.20 0.00 0.00 -1.21 0.00 0.00 61.69 60.68 1wh4 s THR 115 Cb 0.00 -2.50 0.00 0.00 -1.51 0.00 0.00 72.50 68.49 1wh4 s THR 115 CO 0.00 -0.26 0.00 1.33 -2.21 0.00 0.00 174.62 173.48 1wh4 n VAL 116 N -4.00 0.00 -3.71 5.08 0.24 -1.26 -5.12 118.33 109.56 1wh4 n VAL 116 Ca 0.09 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.25 1wh4 n VAL 116 Cb 0.54 -0.22 -0.09 0.00 -1.47 0.00 0.00 33.84 32.60 1wh4 n VAL 116 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 1wh4 s LYS 117 N -0.36 0.65 0.24 7.34 0.00 -1.26 -5.17 119.74 121.18 1wh4 s LYS 117 Ca 0.00 0.30 -0.07 0.00 0.00 0.00 0.00 55.97 56.20 1wh4 s LYS 117 Cb 0.00 0.30 -0.06 0.00 0.00 0.00 0.00 37.83 38.07 1wh4 s LYS 117 CO 0.00 -0.14 0.52 0.45 0.00 0.00 0.00 175.35 176.18 1wh4 s SER 118 N -0.49 6.54 -0.15 0.03 0.15 -1.26 -5.10 113.70 113.42 1wh4 s SER 118 Ca -0.06 0.79 -0.30 0.00 0.70 0.00 0.00 55.95 57.08 1wh4 s SER 118 Cb -0.03 -2.17 0.12 0.00 -1.71 0.00 0.00 66.02 62.22 1wh4 s SER 118 CO 0.03 -0.10 0.94 -1.48 1.20 0.00 0.00 173.24 173.84 1wh4 s LEU 119 N -3.06 -0.42 0.09 3.45 0.05 -1.26 -5.14 118.68 112.39 1wh4 s LEU 119 Ca 0.45 0.49 -0.31 0.00 0.05 0.00 0.00 54.13 54.81 1wh4 s LEU 119 Cb -0.11 1.98 -0.07 0.00 -2.05 0.00 0.00 46.19 45.94 1wh4 s LEU 119 CO 0.25 -0.38 1.34 -2.16 -0.55 0.00 0.00 176.35 174.85 1wh4 s PRO 120 N -1.04 4.35 -0.17 1.48 0.04 -1.26 -4.97 135.00 133.43 1wh4 s PRO 120 Ca -0.03 1.99 -0.29 0.00 0.04 0.00 0.00 61.00 62.71 1wh4 s PRO 120 Cb -0.01 -3.29 -0.04 0.00 0.04 0.00 0.00 34.50 31.20 1wh4 s PRO 120 CO 0.03 -0.40 1.63 -1.25 0.04 0.00 0.00 177.00 177.05 1wh4 s PRO 121 N 1.18 3.91 -0.06 0.56 0.04 -1.26 -4.98 135.00 134.39 1wh4 s PRO 121 Ca 0.63 1.83 0.01 0.00 0.04 0.00 0.00 61.00 63.51 1wh4 s PRO 121 Cb -0.35 -4.02 0.02 0.00 0.04 0.00 0.00 34.50 30.20 1wh4 s PRO 121 CO 0.30 -1.16 -0.05 0.45 0.04 0.00 0.00 177.00 176.58 1wh4 s SER 122 N 4.00 1.28 0.00 6.66 0.15 -1.26 -4.96 113.70 119.57 1wh4 s SER 122 Ca 0.72 -0.15 0.00 0.00 0.70 0.00 0.00 55.95 57.22 1wh4 s SER 122 Cb -0.28 -0.52 0.00 0.00 -1.71 0.00 0.00 66.02 63.51 1wh4 s SER 122 CO 0.29 -0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.26 1wh4 n GLY 123 N 4.32 0.31 3.58 9.45 0.00 -1.26 -4.96 105.19 116.63 1wh4 n GLY 123 Ca -0.20 -0.77 -0.30 0.00 0.00 0.00 0.00 46.02 44.75 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 -0.07 2.64 -0.16 1.61 0.04 -1.26 -4.93 135.00 132.86 1wh4 s PRO 124 Ca 0.00 -1.27 -0.26 0.00 0.04 0.00 0.00 61.00 59.51 1wh4 s PRO 124 Cb 0.00 -5.28 -0.01 0.00 0.04 0.00 0.00 34.50 29.25 1wh4 s PRO 124 CO 0.00 -3.83 0.88 0.45 0.04 0.00 0.00 177.00 174.54 1wh4 s SER 125 N 6.25 7.02 0.00 6.66 0.15 -1.26 -4.19 113.70 128.32 1wh4 s SER 125 Ca 0.67 1.26 0.00 0.00 0.70 0.00 0.00 55.95 58.57 1wh4 s SER 125 Cb -0.00 -2.48 0.00 0.00 -1.71 0.00 0.00 66.02 61.83 1wh4 s SER 125 CO 0.13 -0.43 0.00 -0.24 1.20 0.00 0.00 173.24 173.90 1wh4 n SER 126 N 5.27 0.00 0.00 5.45 2.88 -1.26 -5.26 113.62 120.70 1wh4 n SER 126 Ca 0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 1wh4 n SER 126 Cb 0.49 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.95 1wh4 n SER 126 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42