#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 0.00 -3.63 1.61 7.64 -1.26 -5.17 113.62 112.81 1wh4 n SER 2 Ca 0.00 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.76 1wh4 n SER 2 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 1wh4 n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wh4 s SER 3 N 0.00 0.36 0.00 6.43 0.01 -1.26 -5.13 113.70 114.11 1wh4 s SER 3 Ca 0.00 -1.22 0.00 0.00 1.31 0.00 0.00 55.95 56.04 1wh4 s SER 3 Cb 0.00 0.62 0.00 0.00 0.21 0.00 0.00 66.02 66.85 1wh4 s SER 3 CO 0.00 -1.22 0.00 0.61 0.41 0.00 0.00 173.24 173.04 1wh4 n GLY 4 N -0.46 -2.47 2.76 3.44 0.00 -1.26 -4.81 105.19 102.39 1wh4 n GLY 4 Ca -0.01 0.82 -0.12 0.00 0.00 0.00 0.00 46.02 46.72 1wh4 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wh4 n SER 5 N 0.00 -5.68 -4.68 1.61 7.64 -1.26 -5.02 113.62 106.24 1wh4 n SER 5 Ca 0.00 0.29 -0.29 0.00 1.01 0.00 0.00 58.87 59.88 1wh4 n SER 5 Cb 0.00 -4.21 0.16 0.00 -1.01 0.00 0.00 64.21 59.15 1wh4 n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wh4 s SER 6 N -2.45 2.95 0.01 6.43 0.15 -1.26 -5.10 113.70 114.43 1wh4 s SER 6 Ca 0.00 1.45 -0.01 0.00 0.70 0.00 0.00 55.95 58.09 1wh4 s SER 6 Cb 0.00 -2.12 -0.01 0.00 -1.71 0.00 0.00 66.02 62.18 1wh4 s SER 6 CO 0.00 -2.96 -0.01 -0.83 1.20 0.00 0.00 173.24 170.64 1wh4 s GLY 7 N -3.30 0.15 0.00 9.45 0.00 -1.26 -4.99 107.32 107.37 1wh4 s GLY 7 Ca 0.65 -0.35 0.00 0.00 0.00 0.00 0.00 44.72 45.01 1wh4 s GLY 7 CO 0.58 -0.40 0.00 -0.13 0.00 0.00 0.00 173.10 173.14 1wh4 n MET 8 N 2.10 0.00 -3.91 2.90 0.00 -1.26 -5.06 117.12 111.88 1wh4 n MET 8 Ca -0.20 0.17 -0.11 0.00 0.00 0.00 0.00 57.70 57.56 1wh4 n MET 8 Cb 0.57 -0.66 0.00 0.00 0.00 0.00 0.00 33.22 33.13 1wh4 n MET 8 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 175.97 177.18 1wh4 s ASN 9 N -1.71 0.35 0.80 6.12 3.84 -1.26 -5.17 114.94 117.92 1wh4 s ASN 9 Ca 0.00 -1.28 -0.10 0.00 0.21 0.00 0.00 52.86 51.69 1wh4 s ASN 9 Cb 0.00 0.79 0.07 0.00 -0.55 0.00 0.00 41.25 41.56 1wh4 s ASN 9 CO 0.00 -1.56 1.10 -1.59 -2.79 0.00 0.00 177.10 172.27 1wh4 s LYS 10 N -2.56 2.03 0.34 0.43 -2.85 -1.26 -5.05 119.74 110.82 1wh4 s LYS 10 Ca 0.21 1.24 -0.06 0.00 -1.00 0.00 0.00 55.97 56.36 1wh4 s LYS 10 Cb -0.03 -1.87 0.09 0.00 -2.06 0.00 0.00 37.83 33.96 1wh4 s LYS 10 CO 0.15 -1.82 0.25 -2.30 0.10 0.00 0.00 175.35 171.72 1wh4 n PRO 11 N -3.65 -2.12 -0.18 1.78 -0.02 -1.26 -5.08 135.00 124.47 1wh4 n PRO 11 Ca 0.10 -0.41 -0.08 0.00 -2.02 0.00 0.00 63.50 61.09 1wh4 n PRO 11 Cb 0.53 -0.44 0.08 0.00 -0.02 0.00 0.00 33.50 33.64 1wh4 n PRO 11 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 1wh4 n LEU 12 N 0.00 0.00 -4.02 2.45 -0.00 -1.26 -5.10 117.00 109.06 1wh4 n LEU 12 Ca 0.04 -0.24 -0.12 0.00 -0.00 0.00 0.00 56.01 55.69 1wh4 n LEU 12 Cb 0.15 -0.35 -0.12 0.00 -0.00 0.00 0.00 43.42 43.11 1wh4 n LEU 12 CO 0.10 -1.84 -0.39 0.42 -0.00 0.00 0.00 177.39 175.68 1wh4 s THR 13 N -1.24 0.38 -0.13 1.47 -4.23 -1.26 -4.99 115.64 105.63 1wh4 s THR 13 Ca 0.18 -0.94 0.25 0.00 -1.18 0.00 0.00 61.69 60.01 1wh4 s THR 13 Cb -0.03 -0.46 0.26 0.00 1.34 0.00 0.00 72.50 73.61 1wh4 s THR 13 CO 0.15 -0.38 1.78 1.55 -0.54 0.00 0.00 174.62 177.18 1wh4 h PRO 14 N 4.69 0.00 -0.19 3.99 0.13 -1.94 -1.77 132.00 136.92 1wh4 h PRO 14 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1wh4 h PRO 14 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1wh4 h PRO 14 CO 0.42 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.06 1wh4 n SER 15 N -2.39 2.73 -4.74 1.44 3.41 -1.26 -0.39 113.62 112.42 1wh4 n SER 15 Ca -0.01 -1.80 -0.41 0.00 -0.26 0.00 0.00 58.87 56.40 1wh4 n SER 15 Cb 0.09 -0.12 -0.05 0.00 -0.26 0.00 0.00 64.21 63.87 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 -1.26 4.22 0.58 6.66 2.01 -0.67 -4.89 115.64 122.30 1wh4 s THR 16 Ca 0.25 2.00 -0.18 0.00 0.31 0.00 0.00 61.69 64.07 1wh4 s THR 16 Cb 0.15 -4.28 -0.04 0.00 0.01 0.00 0.00 72.50 68.35 1wh4 s THR 16 CO 0.22 0.38 1.13 -0.31 -0.69 0.00 0.00 174.62 175.35 1wh4 s TYR 17 N -0.51 2.62 0.15 4.92 2.02 -1.26 -0.52 117.35 124.77 1wh4 s TYR 17 Ca 0.45 1.54 -0.16 0.00 -0.37 0.00 0.00 57.07 58.53 1wh4 s TYR 17 Cb -0.25 -3.28 0.05 0.00 -0.40 0.00 0.00 41.96 38.07 1wh4 s TYR 17 CO 0.32 -1.69 1.77 0.82 -1.57 0.00 0.00 175.55 175.20 1wh4 h ILE 18 N 0.81 0.97 0.00 2.71 1.08 -1.76 -1.21 117.51 120.12 1wh4 h ILE 18 Ca -0.49 -0.12 -0.01 0.00 -0.39 0.00 0.00 64.86 63.84 1wh4 h ILE 18 Cb 1.26 0.58 -0.00 0.00 -3.07 0.00 0.00 36.82 35.59 1wh4 h ILE 18 CO 0.56 0.07 -0.07 0.08 -0.69 0.00 0.00 178.15 178.10 1wh4 h ARG 19 N 0.36 0.00 0.00 2.37 0.11 -1.82 -2.22 114.38 113.18 1wh4 h ARG 19 Ca 0.16 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 60.17 1wh4 h ARG 19 Cb 0.08 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.15 1wh4 h ARG 19 CO -0.12 0.07 -0.34 -0.97 0.10 0.00 0.00 179.97 178.71 1wh4 h ASN 20 N 0.00 0.00 -3.81 0.08 -0.73 -1.59 -3.45 115.58 106.09 1wh4 h ASN 20 Ca -0.00 0.00 -0.55 0.00 1.87 0.00 0.00 56.30 57.62 1wh4 h ASN 20 Cb 0.34 0.00 0.11 0.00 0.27 0.00 0.00 38.32 39.04 1wh4 h ASN 20 CO 0.01 0.34 0.70 0.18 -0.37 0.00 0.00 177.43 178.29 1wh4 n LEU 21 N -3.83 4.60 -4.76 0.34 4.77 -0.84 -4.95 117.00 112.33 1wh4 n LEU 21 Ca -0.01 1.20 -0.32 0.00 -0.03 0.00 0.00 56.01 56.85 1wh4 n LEU 21 Cb 0.41 -1.59 0.08 0.00 -2.33 0.00 0.00 43.42 39.99 1wh4 n LEU 21 CO 0.37 -0.04 0.72 0.21 -1.33 0.00 0.00 177.39 177.32 1wh4 s ASN 22 N -0.24 4.65 0.41 -1.43 3.84 -1.26 -4.79 114.94 116.12 1wh4 s ASN 22 Ca 0.55 1.96 0.11 0.00 0.21 0.00 0.00 52.86 55.69 1wh4 s ASN 22 Cb -0.49 -2.54 0.94 0.00 -0.55 0.00 0.00 41.25 38.61 1wh4 s ASN 22 CO 0.62 -1.94 1.96 1.62 -2.79 0.00 0.00 177.10 176.58 1wh4 h VAL 23 N -0.61 0.92 -0.18 -5.21 3.04 -1.95 -0.56 116.25 111.69 1wh4 h VAL 23 Ca -0.45 -0.18 -0.00 0.00 -1.01 0.00 0.00 66.70 65.06 1wh4 h VAL 23 Cb 1.24 0.35 -0.01 0.00 -2.01 0.00 0.00 31.29 30.87 1wh4 h VAL 23 CO 0.52 0.10 0.11 1.23 -1.01 0.00 0.00 177.57 178.51 1wh4 h GLY 24 N 0.52 0.27 1.02 3.17 0.00 -1.99 0.12 103.07 106.18 1wh4 h GLY 24 Ca 0.30 -0.12 -0.04 0.00 0.00 0.00 0.00 47.33 47.47 1wh4 h GLY 24 CO -0.10 0.11 0.25 -2.22 0.00 0.00 0.00 176.54 174.59 1wh4 h ILE 25 N 0.21 1.25 -0.78 2.60 5.03 -1.69 -0.16 117.51 123.96 1wh4 h ILE 25 Ca 0.07 -0.79 0.10 0.00 -0.12 0.00 0.00 64.86 64.11 1wh4 h ILE 25 Cb 0.05 0.50 -0.07 0.00 -3.03 0.00 0.00 36.82 34.27 1wh4 h ILE 25 CO -0.01 0.31 0.42 -0.07 -0.68 0.00 0.00 178.15 178.12 1wh4 h LEU 26 N 0.96 0.58 -0.14 1.44 3.38 -0.69 0.63 115.31 121.47 1wh4 h LEU 26 Ca 0.22 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.24 1wh4 h LEU 26 Cb 0.24 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1wh4 h LEU 26 CO -0.01 0.32 0.07 0.03 0.09 0.00 0.00 178.44 178.93 1wh4 h ARG 27 N 0.70 0.19 -0.65 1.13 3.08 -0.05 0.37 114.38 119.16 1wh4 h ARG 27 Ca 0.38 -0.03 0.05 0.00 0.07 0.00 0.00 59.98 60.46 1wh4 h ARG 27 Cb 0.39 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.36 1wh4 h ARG 27 CO -0.27 0.24 0.37 0.87 -1.07 0.00 0.00 179.97 180.12 1wh4 h LYS 28 N 0.10 0.68 -0.08 0.04 1.57 -0.30 0.14 116.57 118.72 1wh4 h LYS 28 Ca 0.05 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1wh4 h LYS 28 Cb 0.11 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.26 1wh4 h LYS 28 CO -0.01 0.45 0.04 -0.07 -0.57 0.00 0.00 179.45 179.30 1wh4 h LEU 29 N 0.70 0.10 -1.52 2.94 -0.00 -0.81 -2.91 115.31 113.81 1wh4 h LEU 29 Ca 0.28 -0.09 0.10 0.00 -0.00 0.00 0.00 57.88 58.17 1wh4 h LEU 29 Cb 0.14 -0.02 -0.04 0.00 -0.00 0.00 0.00 40.66 40.73 1wh4 h LEU 29 CO -0.16 0.16 0.45 0.28 -0.00 0.00 0.00 178.44 179.17 1wh4 h SER 30 N 0.02 0.49 -0.87 -0.43 0.02 -0.06 0.41 113.55 113.14 1wh4 h SER 30 Ca 0.03 0.01 0.16 0.00 -0.84 0.00 0.00 61.79 61.15 1wh4 h SER 30 Cb 0.09 -0.09 -0.10 0.00 0.14 0.00 0.00 62.40 62.44 1wh4 h SER 30 CO -0.00 0.29 0.45 -0.78 -1.14 0.00 0.00 176.83 175.65 1wh4 h ASP 31 N 0.54 0.53 0.00 3.07 1.82 -0.56 -2.02 116.42 119.81 1wh4 h ASP 31 Ca 0.31 0.10 -0.16 0.00 -0.39 0.00 0.00 57.03 56.89 1wh4 h ASP 31 Cb 0.50 0.02 -0.03 0.00 0.68 0.00 0.00 39.33 40.50 1wh4 h ASP 31 CO -0.10 0.20 -2.03 0.49 -1.61 0.00 0.00 179.24 176.19 1wh4 n PHE 32 N -4.88 0.00 -0.04 0.28 3.72 -0.38 -4.51 117.46 111.64 1wh4 n PHE 32 Ca 0.18 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.61 1wh4 n PHE 32 Cb 0.47 -0.64 -0.16 0.00 -0.94 0.00 0.00 39.48 38.21 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 -2.40 0.51 -0.19 4.37 2.08 -0.00 -4.40 119.36 119.34 1wh4 n ILE 33 Ca -0.16 -0.61 -0.09 0.00 0.56 0.00 0.00 62.75 62.45 1wh4 n ILE 33 Cb 0.78 -0.17 0.01 0.00 -0.75 0.00 0.00 39.64 39.51 1wh4 n ILE 33 CO 0.00 0.00 0.00 -0.78 0.56 0.00 0.00 176.55 176.33 1wh4 h ASP 34 N 0.00 0.87 -3.70 4.38 1.82 -1.56 -0.73 116.42 117.50 1wh4 h ASP 34 Ca -0.20 -0.27 -0.43 0.00 -0.39 0.00 0.00 57.03 55.74 1wh4 h ASP 34 Cb 1.43 -0.23 0.18 0.00 0.68 0.00 0.00 39.33 41.39 1wh4 h ASP 34 CO 0.01 0.93 0.23 -2.16 -1.61 0.00 0.00 179.24 176.64 1wh4 s PRO 35 N -5.14 -0.53 -0.39 0.28 0.04 -1.26 -4.33 135.00 123.66 1wh4 s PRO 35 Ca -0.12 -0.15 0.00 0.00 0.04 0.00 0.00 61.00 60.76 1wh4 s PRO 35 Cb 0.12 -1.69 0.00 0.00 0.04 0.00 0.00 34.50 32.98 1wh4 s PRO 35 CO 0.82 -3.24 0.00 1.04 0.04 0.00 0.00 177.00 175.66 1wh4 n GLN 36 N -4.41 -1.87 -2.77 4.56 6.02 -1.26 -1.40 117.38 116.26 1wh4 n GLN 36 Ca 0.13 0.62 -0.16 0.00 -0.01 0.00 0.00 57.00 57.59 1wh4 n GLN 36 Cb 0.59 -5.08 -0.00 0.00 1.02 0.00 0.00 30.24 26.77 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 0.34 -2.76 -0.29 -1.09 1.02 -1.26 -4.89 120.64 111.71 1wh4 n GLU 37 Ca -0.04 0.53 0.05 0.00 -0.02 0.00 0.00 57.16 57.69 1wh4 n GLU 37 Cb 0.52 -5.17 0.20 0.00 -0.02 0.00 0.00 31.44 26.97 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 -0.37 1.32 1.07 0.62 0.00 -0.89 -1.19 103.07 103.64 1wh4 h GLY 38 Ca -0.33 -0.27 -0.09 0.00 0.00 0.00 0.00 47.33 46.64 1wh4 h GLY 38 CO 0.39 0.02 0.01 0.11 0.00 0.00 0.00 176.54 177.08 1wh4 h TRP 39 N 0.68 1.15 -0.82 5.60 5.08 -1.40 -0.21 115.95 126.04 1wh4 h TRP 39 Ca 0.43 -0.20 0.00 0.00 1.08 0.00 0.00 58.89 60.21 1wh4 h TRP 39 Cb 0.54 -0.30 -0.04 0.00 -3.00 0.00 0.00 29.16 26.36 1wh4 h TRP 39 CO -0.08 1.01 0.52 0.87 -1.28 0.00 0.00 178.44 179.48 1wh4 h LYS 40 N 0.96 1.09 -0.14 0.12 1.57 -1.59 0.10 116.57 118.68 1wh4 h LYS 40 Ca 0.17 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.85 1wh4 h LYS 40 Cb 0.55 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 1wh4 h LYS 40 CO 0.03 0.74 0.01 0.87 -0.57 0.00 0.00 179.45 180.54 1wh4 h LYS 41 N 1.11 0.24 0.14 3.15 1.57 -0.87 -1.37 116.57 120.54 1wh4 h LYS 41 Ca 0.30 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 59.01 1wh4 h LYS 41 Cb -0.09 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 1wh4 h LYS 41 CO -0.06 0.44 -0.15 1.25 -0.57 0.00 0.00 179.45 180.37 1wh4 h LEU 42 N 0.00 -0.39 -0.16 2.94 7.12 -0.84 -1.26 115.31 122.72 1wh4 h LEU 42 Ca 0.04 0.04 0.05 0.00 0.13 0.00 0.00 57.88 58.14 1wh4 h LEU 42 Cb 0.33 0.14 -0.07 0.00 -0.53 0.00 0.00 40.66 40.53 1wh4 h LEU 42 CO 0.00 -0.22 -0.32 0.00 -0.13 0.00 0.00 178.44 177.77 1wh4 h ALA 43 N 0.51 -0.35 0.00 1.25 0.00 -0.66 -1.83 119.26 118.18 1wh4 h ALA 43 Ca 0.01 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1wh4 h ALA 43 Cb 0.31 0.61 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 1wh4 h ALA 43 CO -0.05 -0.79 -0.10 -0.24 0.00 0.00 0.00 179.25 178.07 1wh4 h VAL 44 N -0.38 0.24 0.00 0.00 3.04 -1.21 -2.04 116.25 115.90 1wh4 h VAL 44 Ca 0.10 -0.89 0.00 0.00 -1.01 0.00 0.00 66.70 64.91 1wh4 h VAL 44 Cb 0.54 1.72 0.00 0.00 -2.01 0.00 0.00 31.29 31.54 1wh4 h VAL 44 CO -0.37 0.10 0.00 0.00 -1.01 0.00 0.00 177.57 176.29 1wh4 h ALA 45 N 1.90 1.00 -1.67 3.17 0.00 -0.42 -3.43 119.26 119.81 1wh4 h ALA 45 Ca -0.00 0.00 -0.58 0.00 0.00 0.00 0.00 54.91 54.33 1wh4 h ALA 45 Cb 0.71 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.41 1wh4 h ALA 45 CO 0.01 0.00 0.80 0.42 0.00 0.00 0.00 179.25 180.48 1wh4 s ILE 46 N -3.25 4.16 0.26 0.00 1.01 -0.77 -5.02 121.20 117.60 1wh4 s ILE 46 Ca 0.07 0.59 0.05 0.00 0.00 0.00 0.00 60.65 61.36 1wh4 s ILE 46 Cb 0.10 -4.66 -0.03 0.00 0.01 0.00 0.00 42.46 37.88 1wh4 s ILE 46 CO 0.55 -1.28 0.38 -0.54 0.00 0.00 0.00 174.94 174.05 1wh4 s LYS 47 N 4.56 3.38 0.97 2.79 3.01 -1.26 -2.30 119.74 130.88 1wh4 s LYS 47 Ca 0.37 -0.81 -0.13 0.00 -1.01 0.00 0.00 55.97 54.39 1wh4 s LYS 47 Cb -0.10 -2.87 0.17 0.00 -1.01 0.00 0.00 37.83 34.02 1wh4 s LYS 47 CO 0.22 0.36 1.13 0.15 0.51 0.00 0.00 175.35 177.72 1wh4 s LYS 48 N -4.02 0.67 0.24 1.68 1.02 0.95 -4.78 119.74 115.51 1wh4 s LYS 48 Ca 0.36 0.30 -0.05 0.00 0.02 0.00 0.00 55.97 56.61 1wh4 s LYS 48 Cb -0.09 -1.78 0.39 0.00 -0.52 0.00 0.00 37.83 35.83 1wh4 s LYS 48 CO 0.29 -2.52 1.79 -1.35 -0.92 0.00 0.00 175.35 172.64 1wh4 h PRO 49 N -1.73 0.67 0.00 -1.68 0.11 -2.01 -0.21 132.00 127.16 1wh4 h PRO 49 Ca -0.51 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.51 1wh4 h PRO 49 Cb 1.33 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1wh4 h PRO 49 CO 0.58 0.45 -0.21 0.77 -0.21 0.00 0.00 178.00 179.37 1wh4 h SER 50 N 0.69 0.00 0.00 -2.05 0.02 -2.06 -3.46 113.55 106.69 1wh4 h SER 50 Ca 0.39 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.34 1wh4 h SER 50 Cb 0.41 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.95 1wh4 h SER 50 CO -0.27 0.21 0.00 0.61 -1.14 0.00 0.00 176.83 176.24 1wh4 n GLY 51 N -0.39 0.92 3.75 -3.77 0.00 -0.09 -5.11 105.19 100.51 1wh4 n GLY 51 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 3.65 -4.58 1.61 9.92 -1.26 -4.49 116.55 121.39 1wh4 n ASP 52 Ca 0.00 1.19 -0.41 0.00 -0.53 0.00 0.00 54.79 55.04 1wh4 n ASP 52 Cb 0.00 -1.59 -0.03 0.00 -0.64 0.00 0.00 41.12 38.87 1wh4 n ASP 52 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 1wh4 s ASP 53 N 0.09 5.72 0.18 -2.24 1.11 -1.26 -0.03 116.67 120.23 1wh4 s ASP 53 Ca 0.58 0.98 -0.16 0.00 0.18 0.00 0.00 52.55 54.13 1wh4 s ASP 53 Cb -0.50 -2.53 0.14 0.00 1.07 0.00 0.00 42.92 41.10 1wh4 s ASP 53 CO 0.58 -1.90 1.67 0.03 1.18 0.00 0.00 175.17 176.72 1wh4 h ARG 54 N 13.43 0.03 -3.36 8.23 3.08 -1.76 -3.39 114.38 130.64 1wh4 h ARG 54 Ca -0.31 -0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.14 1wh4 h ARG 54 Cb 1.16 -0.01 -0.40 0.00 0.08 0.00 0.00 29.97 30.81 1wh4 h ARG 54 CO 1.09 0.02 -0.75 0.71 -1.07 0.00 0.00 179.97 179.98 1wh4 s TYR 55 N -6.21 1.98 0.88 3.04 2.02 -1.26 -5.08 117.35 112.72 1wh4 s TYR 55 Ca -0.14 -2.16 -0.12 0.00 -0.37 0.00 0.00 57.07 54.28 1wh4 s TYR 55 Cb 0.16 -1.88 0.16 0.00 -0.40 0.00 0.00 41.96 40.00 1wh4 s TYR 55 CO 0.72 -0.84 1.21 -0.80 -1.57 0.00 0.00 175.55 174.27 1wh4 s ASN 56 N 0.95 3.64 0.44 2.29 0.02 -1.26 -4.44 114.94 116.57 1wh4 s ASN 56 Ca 0.14 0.19 0.19 0.00 -1.02 0.00 0.00 52.86 52.35 1wh4 s ASN 56 Cb -0.21 -0.39 1.12 0.00 0.02 0.00 0.00 41.25 41.79 1wh4 s ASN 56 CO -0.11 -2.38 1.88 1.56 0.02 0.00 0.00 177.10 178.07 1wh4 h GLN 57 N -1.27 0.35 -0.86 -0.60 1.08 -1.99 0.41 115.11 112.23 1wh4 h GLN 57 Ca -0.43 -0.02 0.21 0.00 -1.45 0.00 0.00 58.65 56.96 1wh4 h GLN 57 Cb 1.26 -0.08 -0.12 0.00 -0.05 0.00 0.00 27.48 28.48 1wh4 h GLN 57 CO 0.43 0.23 0.33 0.35 -0.95 0.00 0.00 178.83 179.21 1wh4 h PHE 58 N 0.36 0.53 0.00 2.96 3.57 -2.01 -1.02 116.94 121.33 1wh4 h PHE 58 Ca 0.43 0.04 -0.09 0.00 3.53 0.00 0.00 57.97 61.88 1wh4 h PHE 58 Cb 1.12 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.74 1wh4 h PHE 58 CO -0.00 -0.08 -1.21 0.45 -2.23 0.00 0.00 178.31 175.24 1wh4 h HIS 59 N 0.35 0.00 -0.52 0.41 3.86 -1.29 -3.35 115.15 114.61 1wh4 h HIS 59 Ca 0.53 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.71 1wh4 h HIS 59 Cb 1.00 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.45 1wh4 h HIS 59 CO -0.18 0.31 0.20 0.82 0.86 0.00 0.00 177.93 179.94 1wh4 h ILE 60 N 0.00 1.22 -0.87 2.45 1.08 -0.69 -2.11 117.51 118.60 1wh4 h ILE 60 Ca -0.09 -0.69 0.13 0.00 -0.39 0.00 0.00 64.86 63.82 1wh4 h ILE 60 Cb 1.31 0.70 -0.07 0.00 -3.07 0.00 0.00 36.82 35.70 1wh4 h ILE 60 CO 0.02 0.26 0.56 0.03 -0.69 0.00 0.00 178.15 178.34 1wh4 h ARG 61 N 0.70 0.70 0.21 2.37 2.47 -1.39 0.14 114.38 119.60 1wh4 h ARG 61 Ca 0.17 -0.04 -0.01 0.00 -1.26 0.00 0.00 59.98 58.84 1wh4 h ARG 61 Cb 0.21 -0.16 0.00 0.00 -1.65 0.00 0.00 29.97 28.38 1wh4 h ARG 61 CO -0.01 0.46 -0.10 -0.09 0.56 0.00 0.00 179.97 180.79 1wh4 h ARG 62 N 0.72 -0.28 -0.52 0.04 9.65 -1.54 -1.34 114.38 121.12 1wh4 h ARG 62 Ca 0.42 0.02 -0.06 0.00 -1.10 0.00 0.00 59.98 59.27 1wh4 h ARG 62 Cb 0.62 0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 29.24 1wh4 h ARG 62 CO -0.19 -0.18 0.10 0.74 2.80 0.00 0.00 179.97 183.24 1wh4 h PHE 63 N -0.29 0.84 -0.95 2.20 0.04 -0.79 -2.53 116.94 115.46 1wh4 h PHE 63 Ca -0.03 -0.09 0.04 0.00 2.80 0.00 0.00 57.97 60.70 1wh4 h PHE 63 Cb 0.22 -0.24 -0.06 0.00 2.20 0.00 0.00 35.95 38.07 1wh4 h PHE 63 CO -0.06 0.73 0.62 0.93 -0.60 0.00 0.00 178.31 179.92 1wh4 h GLU 64 N 0.78 1.13 -0.57 1.51 5.08 -0.50 -1.78 114.58 120.22 1wh4 h GLU 64 Ca 0.17 -0.07 0.09 0.00 -1.00 0.00 0.00 59.36 58.55 1wh4 h GLU 64 Cb 0.33 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 1wh4 h GLU 64 CO 0.00 0.75 0.39 0.00 -1.00 0.00 0.00 179.01 179.14 1wh4 h ALA 65 N 1.46 1.99 0.84 3.43 0.00 -0.79 0.93 119.26 127.12 1wh4 h ALA 65 Ca 0.39 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.24 1wh4 h ALA 65 Cb 0.06 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.77 1wh4 h ALA 65 CO -0.13 -0.11 -0.40 -0.07 0.00 0.00 0.00 179.25 178.54 1wh4 h LEU 66 N 0.41 -0.95 -1.49 0.00 3.38 -1.35 -3.01 115.31 112.30 1wh4 h LEU 66 Ca 0.26 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1wh4 h LEU 66 Cb 0.48 0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 1wh4 h LEU 66 CO -0.07 -0.65 0.30 0.17 0.09 0.00 0.00 178.44 178.28 1wh4 h LEU 67 N -1.19 0.56 -0.02 1.67 8.10 -1.00 0.18 115.31 123.61 1wh4 h LEU 67 Ca -0.12 -0.02 0.00 0.00 0.11 0.00 0.00 57.88 57.85 1wh4 h LEU 67 Cb 0.86 -0.14 0.00 0.00 -0.44 0.00 0.00 40.66 40.94 1wh4 h LEU 67 CO 0.19 0.42 0.00 0.00 -4.11 0.00 0.00 178.44 174.94 1wh4 n GLN 68 N -4.45 0.00 0.00 0.17 1.13 0.24 -3.63 117.38 110.85 1wh4 n GLN 68 Ca 0.04 0.30 0.00 0.00 -1.94 0.00 0.00 57.00 55.40 1wh4 n GLN 68 Cb 0.07 -1.51 0.00 0.00 0.11 0.00 0.00 30.24 28.91 1wh4 n GLN 68 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1wh4 n THR 69 N -1.51 0.00 0.00 5.09 -2.24 -0.22 -5.06 114.28 110.33 1wh4 n THR 69 Ca 0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 1wh4 n THR 69 Cb 0.14 -0.37 0.00 0.00 -2.10 0.00 0.00 70.33 68.00 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 1.99 0.01 3.76 3.38 0.00 0.46 -5.10 105.19 109.69 1wh4 n GLY 70 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1wh4 n GLY 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wh4 s LYS 71 N 0.00 4.64 0.09 1.61 -0.14 -0.81 -4.94 119.74 120.19 1wh4 s LYS 71 Ca 0.00 1.70 -0.31 0.00 -1.36 0.00 0.00 55.97 56.00 1wh4 s LYS 71 Cb 0.00 -3.13 -0.07 0.00 -1.68 0.00 0.00 37.83 32.95 1wh4 s LYS 71 CO 0.00 0.24 1.33 0.45 -0.76 0.00 0.00 175.35 176.61 1wh4 s SER 72 N -1.03 6.91 0.43 2.83 0.15 -1.26 -2.44 113.70 119.29 1wh4 s SER 72 Ca 0.45 2.22 0.21 0.00 0.70 0.00 0.00 55.95 59.53 1wh4 s SER 72 Cb -0.29 -2.58 0.97 0.00 -1.71 0.00 0.00 66.02 62.40 1wh4 s SER 72 CO 0.37 -0.60 1.87 1.55 1.20 0.00 0.00 173.24 177.64 1wh4 h PRO 73 N 6.84 0.00 0.37 5.44 0.13 -1.90 -3.12 132.00 139.76 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 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1wh4 h PRO 73 CO 0.85 0.27 -0.26 1.15 -0.23 0.00 0.00 178.00 179.78 1wh4 h THR 74 N 0.00 0.46 0.41 1.56 2.02 -1.90 -0.87 112.91 114.58 1wh4 h THR 74 Ca -0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 1wh4 h THR 74 Cb 0.65 0.46 0.00 0.00 -1.74 0.00 0.00 68.15 67.53 1wh4 h THR 74 CO 0.03 0.00 -0.20 0.00 0.37 0.00 0.00 175.52 175.73 1wh4 h GLU 76 N -0.59 0.29 0.23 0.00 4.39 -1.57 0.56 114.58 117.88 1wh4 h GLU 76 Ca -0.06 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.62 1wh4 h GLU 76 Cb 0.45 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 1wh4 h GLU 76 CO 0.09 0.19 -0.16 1.25 -1.16 0.00 0.00 179.01 179.22 1wh4 h LEU 77 N 0.30 -0.41 -0.75 1.33 5.85 -0.98 -0.08 115.31 120.57 1wh4 h LEU 77 Ca 0.18 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.92 1wh4 h LEU 77 Cb 0.17 0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.29 1wh4 h LEU 77 CO -0.19 -0.25 0.42 -0.07 -0.34 0.00 0.00 178.44 178.00 1wh4 h LEU 78 N -0.39 0.92 0.16 2.25 3.38 -0.49 0.00 115.31 121.14 1wh4 h LEU 78 Ca -0.02 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1wh4 h LEU 78 Cb 0.34 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1wh4 h LEU 78 CO 0.00 0.75 -0.07 0.15 0.09 0.00 0.00 178.44 179.36 1wh4 h PHE 79 N 1.03 -0.19 -0.07 1.13 3.57 -0.78 -2.43 116.94 119.19 1wh4 h PHE 79 Ca 0.26 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.76 1wh4 h PHE 79 Cb 0.02 0.06 -0.00 0.00 2.79 0.00 0.00 35.95 38.82 1wh4 h PHE 79 CO -0.00 0.02 0.04 0.22 -2.23 0.00 0.00 178.31 176.35 1wh4 h ASP 80 N -0.38 0.09 -0.19 0.41 1.82 -0.84 -2.67 116.42 114.65 1wh4 h ASP 80 Ca -0.02 -0.08 0.06 0.00 -0.39 0.00 0.00 57.03 56.59 1wh4 h ASP 80 Cb 0.30 -0.02 -0.01 0.00 0.68 0.00 0.00 39.33 40.28 1wh4 h ASP 80 CO 0.03 0.15 0.16 -0.25 -1.61 0.00 0.00 179.24 177.72 1wh4 h TRP 81 N 0.02 0.00 -0.69 0.28 7.01 -1.01 0.90 115.95 122.47 1wh4 h TRP 81 Ca 0.03 0.00 0.14 0.00 2.11 0.00 0.00 58.89 61.17 1wh4 h TRP 81 Cb 0.08 0.00 -0.10 0.00 -2.10 0.00 0.00 29.16 27.04 1wh4 h TRP 81 CO -0.05 0.00 0.14 0.78 -2.79 0.00 0.00 178.44 176.53 1wh4 h GLY 82 N 0.00 0.91 2.00 2.65 0.00 -1.07 -1.38 103.07 106.18 1wh4 h GLY 82 Ca 0.09 -0.02 -0.05 0.00 0.00 0.00 0.00 47.33 47.35 1wh4 h GLY 82 CO -0.00 -0.18 -0.26 0.00 0.00 0.00 0.00 176.54 176.10 1wh4 h THR 83 N 0.25 0.76 -0.02 4.70 1.03 -0.91 -2.15 112.91 116.58 1wh4 h THR 83 Ca 0.38 -1.08 -0.03 0.00 -0.01 0.00 0.00 66.41 65.67 1wh4 h THR 83 Cb 0.62 1.67 -0.01 0.00 -1.07 0.00 0.00 68.15 69.36 1wh4 h THR 83 CO -0.49 0.25 -0.13 0.74 -0.01 0.00 0.00 175.52 175.88 1wh4 h THR 84 N 0.00 1.11 -0.53 0.00 2.02 -1.23 -3.47 112.91 110.81 1wh4 h THR 84 Ca -0.00 -0.51 0.00 0.00 0.77 0.00 0.00 66.41 66.67 1wh4 h THR 84 Cb 0.65 1.24 0.00 0.00 -1.74 0.00 0.00 68.15 68.30 1wh4 h THR 84 CO 0.03 0.15 0.00 0.59 0.37 0.00 0.00 175.52 176.66 1wh4 n ASN 85 N -4.36 -0.35 -4.32 4.18 3.02 -0.81 -5.13 115.26 107.48 1wh4 n ASN 85 Ca -0.02 0.00 -0.16 0.00 -0.03 0.00 0.00 54.58 54.36 1wh4 n ASN 85 Cb 0.21 -0.18 -0.10 0.00 -0.61 0.00 0.00 39.78 39.10 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 -3.65 0.97 0.26 0.00 -4.23 -1.26 -2.38 115.64 105.34 1wh4 s THR 87 Ca 0.34 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.83 1wh4 s THR 87 Cb 0.07 -2.69 0.24 0.00 1.34 0.00 0.00 72.50 71.46 1wh4 s THR 87 CO 0.11 0.00 1.72 0.58 -0.54 0.00 0.00 174.62 176.50 1wh4 h VAL 88 N 2.10 0.62 -0.34 2.29 2.07 -0.88 -0.33 116.25 121.79 1wh4 h VAL 88 Ca -0.39 -0.15 -0.17 0.00 0.82 0.00 0.00 66.70 66.80 1wh4 h VAL 88 Cb 1.25 0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1wh4 h VAL 88 CO 0.66 0.08 -0.47 1.23 0.02 0.00 0.00 177.57 179.09 1wh4 h GLY 89 N 0.45 1.00 0.18 2.17 0.00 -0.97 0.55 103.07 106.44 1wh4 h GLY 89 Ca 0.45 -1.09 0.10 0.00 0.00 0.00 0.00 47.33 46.79 1wh4 h GLY 89 CO -0.43 0.98 0.03 -1.80 0.00 0.00 0.00 176.54 175.32 1wh4 h ASP 90 N 0.72 -0.15 0.79 0.19 1.82 -1.56 -0.28 116.42 117.95 1wh4 h ASP 90 Ca 0.04 0.12 -0.04 0.00 -0.39 0.00 0.00 57.03 56.76 1wh4 h ASP 90 Cb 1.07 0.19 0.01 0.00 0.68 0.00 0.00 39.33 41.28 1wh4 h ASP 90 CO 0.11 -0.05 -0.38 0.25 -1.61 0.00 0.00 179.24 177.56 1wh4 h LEU 91 N 0.15 -0.90 -0.74 2.28 5.85 -0.66 -2.52 115.31 118.77 1wh4 h LEU 91 Ca 0.27 0.02 0.16 0.00 0.84 0.00 0.00 57.88 59.17 1wh4 h LEU 91 Cb 0.40 0.23 -0.13 0.00 0.37 0.00 0.00 40.66 41.53 1wh4 h LEU 91 CO -0.41 -0.58 -0.04 0.58 -0.34 0.00 0.00 178.44 177.65 1wh4 h VAL 92 N -1.18 0.33 -0.15 1.05 2.07 -0.73 0.16 116.25 117.80 1wh4 h VAL 92 Ca -0.11 -0.03 0.04 0.00 0.82 0.00 0.00 66.70 67.43 1wh4 h VAL 92 Cb 0.83 0.25 -0.04 0.00 -1.52 0.00 0.00 31.29 30.80 1wh4 h VAL 92 CO 0.18 0.01 -0.12 -0.78 0.02 0.00 0.00 177.57 176.88 1wh4 h ASP 93 N 0.07 -0.39 -0.21 0.57 1.82 -0.86 0.13 116.42 117.55 1wh4 h ASP 93 Ca 0.39 0.08 -0.15 0.00 -0.39 0.00 0.00 57.03 56.97 1wh4 h ASP 93 Cb 0.67 0.20 -0.01 0.00 0.68 0.00 0.00 39.33 40.87 1wh4 h ASP 93 CO -0.68 -0.16 -0.39 -0.07 -1.61 0.00 0.00 179.24 176.32 1wh4 h LEU 94 N -0.14 0.80 -0.63 2.28 3.38 -0.98 -2.17 115.31 117.86 1wh4 h LEU 94 Ca 0.10 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 1wh4 h LEU 94 Cb 0.28 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 1wh4 h LEU 94 CO -0.23 1.10 0.35 -0.07 0.09 0.00 0.00 178.44 179.68 1wh4 h LEU 95 N 0.62 0.78 -0.21 1.67 3.38 0.10 -1.10 115.31 120.55 1wh4 h LEU 95 Ca 0.05 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 57.95 1wh4 h LEU 95 Cb 0.94 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 1wh4 h LEU 95 CO 0.09 0.64 0.11 0.58 0.09 0.00 0.00 178.44 179.95 1wh4 h VAL 96 N 0.86 1.01 -0.49 1.22 2.07 -0.92 0.17 116.25 120.16 1wh4 h VAL 96 Ca 0.22 -0.08 0.14 0.00 0.82 0.00 0.00 66.70 67.80 1wh4 h VAL 96 Cb 0.03 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 1wh4 h VAL 96 CO -0.04 0.04 0.35 0.06 0.02 0.00 0.00 177.57 178.01 1wh4 h GLN 97 N 0.23 0.03 -0.43 1.57 3.07 -0.57 -0.76 115.11 118.24 1wh4 h GLN 97 Ca 0.08 -0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.82 1wh4 h GLN 97 Cb 0.01 -0.01 0.00 0.00 0.08 0.00 0.00 27.48 27.56 1wh4 h GLN 97 CO -0.05 0.02 0.00 0.44 0.09 0.00 0.00 178.83 179.33 1wh4 n ILE 98 N -4.40 0.56 -1.00 1.86 -5.35 -0.54 -4.95 119.36 105.53 1wh4 n ILE 98 Ca 0.09 -0.73 -0.00 0.00 -0.27 0.00 0.00 62.75 61.84 1wh4 n ILE 98 Cb 0.55 0.77 -0.00 0.00 -1.74 0.00 0.00 39.64 39.22 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 1.33 -0.02 -2.22 6.28 4.07 -0.29 -4.97 120.64 124.83 1wh4 n GLU 99 Ca 0.20 0.20 -0.41 0.00 -0.06 0.00 0.00 57.16 57.09 1wh4 n GLU 99 Cb 0.56 -3.40 0.00 0.00 -0.06 0.00 0.00 31.44 28.54 1wh4 n GLU 99 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 1wh4 n LEU 100 N -0.01 7.60 0.10 4.31 7.99 0.59 -4.75 117.00 132.83 1wh4 n LEU 100 Ca -0.00 -4.94 -0.02 0.00 -0.01 0.00 0.00 56.01 51.04 1wh4 n LEU 100 Cb 0.01 -1.35 0.24 0.00 -0.11 0.00 0.00 43.42 42.21 1wh4 n LEU 100 CO 0.00 1.91 0.65 -0.26 -1.51 0.00 0.00 177.39 178.19 1wh4 h PHE 101 N 4.80 0.24 0.25 -1.77 0.04 -1.90 -2.90 116.94 115.71 1wh4 h PHE 101 Ca 0.59 -0.07 -0.00 0.00 2.80 0.00 0.00 57.97 61.29 1wh4 h PHE 101 Cb 0.38 -0.05 -0.02 0.00 2.20 0.00 0.00 35.95 38.46 1wh4 h PHE 101 CO 1.46 0.59 -0.35 0.00 -0.60 0.00 0.00 178.31 179.42 1wh4 h ALA 102 N 1.40 -0.97 -0.11 2.45 0.00 -1.95 0.58 119.26 120.66 1wh4 h ALA 102 Ca 0.02 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1wh4 h ALA 102 Cb 0.80 0.64 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 1wh4 h ALA 102 CO 0.06 -1.01 -0.18 -1.00 0.00 0.00 0.00 179.25 177.12 1wh4 h PRO 103 N -0.62 0.18 -0.10 0.00 0.13 -1.94 -1.23 132.00 128.42 1wh4 h PRO 103 Ca -0.03 -0.05 0.03 0.00 -0.87 0.00 0.00 66.00 65.08 1wh4 h PRO 103 Cb 0.56 -0.02 -0.03 0.00 0.13 0.00 0.00 31.00 31.64 1wh4 h PRO 103 CO -0.10 0.37 -0.08 0.00 -0.23 0.00 0.00 178.00 177.96 1wh4 h ALA 104 N 1.65 0.00 -0.67 -0.56 0.00 -1.34 -2.50 119.26 115.84 1wh4 h ALA 104 Ca 0.03 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1wh4 h ALA 104 Cb 0.43 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1wh4 h ALA 104 CO 0.03 -0.54 0.12 1.15 0.00 0.00 0.00 179.25 180.01 1wh4 h THR 105 N -0.09 1.26 -0.68 0.00 2.02 -0.31 0.08 112.91 115.18 1wh4 h THR 105 Ca 0.07 -1.01 0.04 0.00 0.77 0.00 0.00 66.41 66.28 1wh4 h THR 105 Cb 0.19 0.62 -0.05 0.00 -1.74 0.00 0.00 68.15 67.17 1wh4 h THR 105 CO -0.16 0.38 0.41 0.25 0.37 0.00 0.00 175.52 176.78 1wh4 h LEU 106 N 1.02 0.65 0.01 2.58 5.85 -0.99 -1.53 115.31 122.90 1wh4 h LEU 106 Ca 0.20 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.94 1wh4 h LEU 106 Cb 0.42 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.32 1wh4 h LEU 106 CO 0.01 0.44 -0.00 -0.07 -0.34 0.00 0.00 178.44 178.48 1wh4 h LEU 107 N 0.79 -0.01 -6.27 2.25 3.38 -1.20 -3.44 115.31 110.81 1wh4 h LEU 107 Ca 0.29 -0.55 -0.29 0.00 0.09 0.00 0.00 57.88 57.42 1wh4 h LEU 107 Cb 0.08 0.00 -0.28 0.00 0.09 0.00 0.00 40.66 40.56 1wh4 h LEU 107 CO -0.13 0.55 -0.62 -0.22 0.09 0.00 0.00 178.44 178.10 1wh4 s LEU 108 N -9.09 -0.44 0.00 1.67 0.20 -0.01 -4.64 118.68 106.37 1wh4 s LEU 108 Ca -0.16 -1.34 0.17 0.00 0.69 0.00 0.00 54.13 53.49 1wh4 s LEU 108 Cb 0.01 0.92 0.88 0.00 -0.43 0.00 0.00 46.19 47.57 1wh4 s LEU 108 CO 0.67 -0.24 1.48 -0.81 -0.29 0.00 0.00 176.35 177.16 1wh4 n PRO 109 N 4.33 0.29 -0.06 0.98 -0.04 -0.61 -2.40 135.00 137.49 1wh4 n PRO 109 Ca 0.11 0.11 -0.04 0.00 -0.04 0.00 0.00 63.50 63.64 1wh4 n PRO 109 Cb 0.48 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.29 1wh4 n PRO 109 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1wh4 n ASP 110 N -1.24 0.12 -0.28 3.54 -0.08 -1.26 -4.54 116.55 112.80 1wh4 n ASP 110 Ca 0.09 0.05 0.11 0.00 -1.51 0.00 0.00 54.79 53.53 1wh4 n ASP 110 Cb 0.12 1.14 0.53 0.00 2.34 0.00 0.00 41.12 45.25 1wh4 n ASP 110 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1wh4 n ALA 111 N -2.58 2.58 -3.46 -1.67 0.00 -1.01 -4.73 120.51 109.63 1wh4 n ALA 111 Ca -0.23 -0.33 -0.32 0.00 0.00 0.00 0.00 53.44 52.56 1wh4 n ALA 111 Cb 0.97 -1.23 -0.17 0.00 0.00 0.00 0.00 19.45 19.03 1wh4 n ALA 111 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1wh4 s VAL 112 N -1.92 2.00 0.29 0.00 0.11 -1.26 -4.94 120.40 114.67 1wh4 s VAL 112 Ca 0.34 -0.96 0.12 0.00 -2.93 0.00 0.00 61.98 58.54 1wh4 s VAL 112 Cb 0.17 -1.75 0.02 0.00 -1.53 0.00 0.00 36.38 33.29 1wh4 s VAL 112 CO 0.27 0.54 1.68 1.55 -3.33 0.00 0.00 175.10 175.81 1wh4 h PRO 113 N 7.05 0.00 -6.23 1.54 0.13 -1.95 -3.42 132.00 129.12 1wh4 h PRO 113 Ca -0.26 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.31 1wh4 h PRO 113 Cb 1.21 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.35 1wh4 h PRO 113 CO 0.51 0.54 1.32 -0.65 -0.23 0.00 0.00 178.00 179.49 1wh4 s GLN 114 N -3.75 3.78 -0.94 0.86 -1.52 -1.26 -4.89 119.66 111.94 1wh4 s GLN 114 Ca -0.02 2.38 -0.25 0.00 -1.95 0.00 0.00 55.36 55.52 1wh4 s GLN 114 Cb 0.13 -4.23 -0.10 0.00 -0.22 0.00 0.00 33.01 28.58 1wh4 s GLN 114 CO 0.75 -1.36 2.10 0.99 -0.25 0.00 0.00 175.29 177.52 1wh4 s THR 115 N 5.81 3.28 -0.26 -0.19 2.01 -1.26 -4.86 115.64 120.17 1wh4 s THR 115 Ca 0.92 -0.32 -0.15 0.00 0.31 0.00 0.00 61.69 62.45 1wh4 s THR 115 Cb -0.39 -3.81 0.08 0.00 0.01 0.00 0.00 72.50 68.39 1wh4 s THR 115 CO 0.39 -0.57 0.64 0.54 -0.69 0.00 0.00 174.62 174.94 1wh4 s VAL 116 N 12.56 -0.00 0.21 3.82 0.11 -1.26 -5.17 120.40 130.66 1wh4 s VAL 116 Ca 0.78 0.01 -0.18 0.00 -2.93 0.00 0.00 61.98 59.67 1wh4 s VAL 116 Cb -0.07 -0.94 0.03 0.00 -1.53 0.00 0.00 36.38 33.87 1wh4 s VAL 116 CO 0.07 0.01 0.54 -1.59 -3.33 0.00 0.00 175.10 170.80 1wh4 s LYS 117 N 1.56 1.43 -0.07 1.54 0.00 -1.26 -5.02 119.74 117.92 1wh4 s LYS 117 Ca -0.10 -0.89 -0.21 0.00 0.00 0.00 0.00 55.97 54.78 1wh4 s LYS 117 Cb -0.06 0.53 0.04 0.00 0.00 0.00 0.00 37.83 38.35 1wh4 s LYS 117 CO -0.18 -0.61 0.47 0.45 0.00 0.00 0.00 175.35 175.48 1wh4 s SER 118 N -2.88 -0.42 0.19 0.03 0.15 -1.26 -5.14 113.70 104.37 1wh4 s SER 118 Ca 0.10 0.52 -0.30 0.00 0.70 0.00 0.00 55.95 56.97 1wh4 s SER 118 Cb -0.01 0.56 -0.08 0.00 -1.71 0.00 0.00 66.02 64.78 1wh4 s SER 118 CO -0.01 -0.43 1.04 -1.48 1.20 0.00 0.00 173.24 173.55 1wh4 s LEU 119 N -0.89 4.53 0.27 3.45 0.05 -1.26 -5.07 118.68 119.77 1wh4 s LEU 119 Ca -0.09 2.02 -0.30 0.00 0.05 0.00 0.00 54.13 55.81 1wh4 s LEU 119 Cb -0.03 -3.60 -0.09 0.00 -2.05 0.00 0.00 46.19 40.41 1wh4 s LEU 119 CO 0.05 -0.10 1.07 -2.16 -0.55 0.00 0.00 176.35 174.67 1wh4 s PRO 120 N -0.59 4.68 1.14 1.48 0.04 -1.26 -5.07 135.00 135.42 1wh4 s PRO 120 Ca 0.46 1.75 -0.14 0.00 0.04 0.00 0.00 61.00 63.11 1wh4 s PRO 120 Cb -0.28 -3.21 0.26 0.00 0.04 0.00 0.00 34.50 31.32 1wh4 s PRO 120 CO 0.34 0.26 1.05 -1.25 0.04 0.00 0.00 177.00 177.44 1wh4 s PRO 121 N -1.36 -0.71 0.00 0.56 0.04 -1.26 -4.96 135.00 127.32 1wh4 s PRO 121 Ca 0.44 0.53 0.06 0.00 0.04 0.00 0.00 61.00 62.07 1wh4 s PRO 121 Cb -0.31 -1.60 -0.02 0.00 0.04 0.00 0.00 34.50 32.61 1wh4 s PRO 121 CO 0.39 -3.50 -0.19 -1.12 0.04 0.00 0.00 177.00 172.63 1wh4 s SER 122 N -3.08 2.23 -0.37 6.66 0.01 -1.26 -5.09 113.70 112.80 1wh4 s SER 122 Ca 0.68 -0.39 -0.03 0.00 1.31 0.00 0.00 55.95 57.51 1wh4 s SER 122 Cb -0.20 -0.23 0.19 0.00 0.21 0.00 0.00 66.02 66.00 1wh4 s SER 122 CO 0.61 0.20 0.93 -0.83 0.41 0.00 0.00 173.24 174.56 1wh4 s GLY 123 N -0.67 -1.55 -1.47 3.44 0.00 -1.26 -5.04 107.32 100.77 1wh4 s GLY 123 Ca 0.07 0.68 -0.14 0.00 0.00 0.00 0.00 44.72 45.33 1wh4 s GLY 123 CO 0.00 4.10 2.30 -1.55 0.00 0.00 0.00 173.10 177.95 1wh4 n PRO 124 N 3.48 2.92 -1.42 2.90 -0.04 -1.26 -4.98 135.00 136.61 1wh4 n PRO 124 Ca 0.10 -2.55 -0.31 0.00 -0.04 0.00 0.00 63.50 60.70 1wh4 n PRO 124 Cb 0.61 -3.24 0.07 0.00 -0.04 0.00 0.00 33.50 30.91 1wh4 n PRO 124 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1wh4 s SER 125 N 3.11 4.85 0.38 3.54 1.04 -1.26 -5.09 113.70 120.28 1wh4 s SER 125 Ca 0.49 1.68 0.05 0.00 0.48 0.00 0.00 55.95 58.65 1wh4 s SER 125 Cb 0.14 -2.46 -0.03 0.00 0.10 0.00 0.00 66.02 63.78 1wh4 s SER 125 CO -0.09 -1.79 0.17 -0.94 0.98 0.00 0.00 173.24 171.57 1wh4 s SER 126 N -3.61 2.43 0.00 7.02 1.04 -1.26 -5.33 113.70 113.98 1wh4 s SER 126 Ca 0.60 -1.69 0.00 0.00 0.48 0.00 0.00 55.95 55.34 1wh4 s SER 126 Cb -0.16 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.49 1wh4 s SER 126 CO 0.55 -0.97 0.00 0.61 0.98 0.00 0.00 173.24 174.42