#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 7.05 0.57 1.61 1.04 -1.26 -4.90 113.70 117.81 1wh4 s SER 2 Ca 0.00 1.27 0.00 0.00 0.48 0.00 0.00 55.95 57.70 1wh4 s SER 2 Cb 0.00 -2.46 0.00 0.00 0.10 0.00 0.00 66.02 63.66 1wh4 s SER 2 CO 0.00 -0.27 0.00 -1.20 0.98 0.00 0.00 173.24 172.75 1wh4 n SER 3 N 4.45 -3.24 0.00 7.02 7.64 -1.26 -5.06 113.62 123.18 1wh4 n SER 3 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.91 1wh4 n SER 3 Cb 0.50 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 1wh4 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wh4 n GLY 4 N 0.00 3.27 3.08 0.23 0.00 -1.26 -5.13 105.19 105.37 1wh4 n GLY 4 Ca 0.00 -1.78 -0.11 0.00 0.00 0.00 0.00 46.02 44.13 1wh4 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wh4 s SER 5 N 0.00 0.05 1.02 1.61 0.01 -1.26 -5.17 113.70 109.96 1wh4 s SER 5 Ca 0.00 -0.21 -0.12 0.00 1.31 0.00 0.00 55.95 56.93 1wh4 s SER 5 Cb 0.00 0.19 0.20 0.00 0.21 0.00 0.00 66.02 66.63 1wh4 s SER 5 CO 0.00 -0.33 1.08 -0.44 0.41 0.00 0.00 173.24 173.96 1wh4 s SER 6 N -1.26 2.22 -0.37 2.44 0.01 -1.26 -5.04 113.70 110.45 1wh4 s SER 6 Ca -0.14 1.61 -0.14 0.00 1.31 0.00 0.00 55.95 58.60 1wh4 s SER 6 Cb -0.07 -2.27 -0.00 0.00 0.21 0.00 0.00 66.02 63.88 1wh4 s SER 6 CO 0.01 -3.45 0.26 -0.83 0.41 0.00 0.00 173.24 169.65 1wh4 s GLY 7 N -2.90 1.98 0.00 3.44 0.00 -1.26 -5.02 107.32 103.56 1wh4 s GLY 7 Ca 0.66 -1.50 0.00 0.00 0.00 0.00 0.00 44.72 43.88 1wh4 s GLY 7 CO 0.60 0.83 0.04 1.03 0.00 0.00 0.00 173.10 175.60 1wh4 n MET 8 N 5.13 0.00 -1.56 2.90 2.81 -1.26 -4.94 117.12 120.20 1wh4 n MET 8 Ca -0.12 0.25 -0.30 0.00 -1.81 0.00 0.00 57.70 55.72 1wh4 n MET 8 Cb 0.49 -0.78 0.07 0.00 -0.71 0.00 0.00 33.22 32.29 1wh4 n MET 8 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 1wh4 s ASN 9 N -2.00 4.93 0.23 7.83 2.47 -1.26 -4.95 114.94 122.18 1wh4 s ASN 9 Ca 0.00 1.47 -0.32 0.00 0.42 0.00 0.00 52.86 54.43 1wh4 s ASN 9 Cb 0.00 -2.27 -0.13 0.00 -1.45 0.00 0.00 41.25 37.40 1wh4 s ASN 9 CO 0.00 -1.71 1.50 0.29 -3.72 0.00 0.00 177.10 173.46 1wh4 n LYS 10 N -3.29 2.22 0.00 0.43 5.02 -1.26 -5.00 118.16 116.28 1wh4 n LYS 10 Ca 0.07 0.79 0.00 0.00 -2.02 0.00 0.00 58.31 57.16 1wh4 n LYS 10 Cb 0.55 -2.51 0.00 0.00 -0.02 0.00 0.00 35.03 33.05 1wh4 n LYS 10 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1wh4 n PRO 11 N 2.49 3.10 -2.13 1.97 -0.04 -1.26 -4.93 135.00 134.19 1wh4 n PRO 11 Ca 0.13 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.16 1wh4 n PRO 11 Cb 0.32 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.75 1wh4 n PRO 11 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1wh4 s LEU 12 N 0.00 3.51 0.76 1.53 2.01 -1.18 -4.98 118.68 120.34 1wh4 s LEU 12 Ca 0.00 1.05 -0.14 0.00 0.01 0.00 0.00 54.13 55.05 1wh4 s LEU 12 Cb 0.00 -3.44 0.06 0.00 0.01 0.00 0.00 46.19 42.81 1wh4 s LEU 12 CO 0.00 -1.66 1.18 0.42 1.01 0.00 0.00 176.35 177.30 1wh4 s THR 13 N 6.51 2.44 0.39 5.49 -4.23 -1.26 -4.62 115.64 120.37 1wh4 s THR 13 Ca 0.72 0.20 0.10 0.00 -1.18 0.00 0.00 61.69 61.52 1wh4 s THR 13 Cb -0.18 -2.65 0.16 0.00 1.34 0.00 0.00 72.50 71.17 1wh4 s THR 13 CO 0.32 -0.14 1.93 1.55 -0.54 0.00 0.00 174.62 177.74 1wh4 h PRO 14 N -0.63 0.21 0.00 3.99 0.13 -1.93 -1.54 132.00 132.22 1wh4 h PRO 14 Ca -0.46 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1wh4 h PRO 14 Cb 1.28 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1wh4 h PRO 14 CO 0.49 0.35 0.00 0.45 -0.23 0.00 0.00 178.00 179.06 1wh4 n SER 15 N -4.28 0.00 -4.74 1.44 2.88 -1.26 -0.42 113.62 107.24 1wh4 n SER 15 Ca -0.01 -0.03 -0.42 0.00 -1.33 0.00 0.00 58.87 57.09 1wh4 n SER 15 Cb 0.26 -0.31 -0.02 0.00 -0.75 0.00 0.00 64.21 63.39 1wh4 n SER 15 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1wh4 s THR 16 N -2.62 2.44 0.67 2.46 2.01 -0.58 -4.83 115.64 115.18 1wh4 s THR 16 Ca 0.24 0.35 -0.12 0.00 0.31 0.00 0.00 61.69 62.47 1wh4 s THR 16 Cb 0.18 -3.22 -0.01 0.00 0.01 0.00 0.00 72.50 69.46 1wh4 s THR 16 CO 0.41 0.05 1.05 -0.31 -0.69 0.00 0.00 174.62 175.13 1wh4 s TYR 17 N 0.33 3.19 0.10 4.92 1.51 -1.26 -0.17 117.35 125.97 1wh4 s TYR 17 Ca 0.64 1.41 -0.20 0.00 -1.01 0.00 0.00 57.07 57.91 1wh4 s TYR 17 Cb -0.45 -2.87 -0.09 0.00 -0.11 0.00 0.00 41.96 38.45 1wh4 s TYR 17 CO 0.41 -1.10 1.68 0.82 -1.11 0.00 0.00 175.55 176.24 1wh4 h ILE 18 N -0.47 1.13 0.00 2.71 1.08 -1.80 -0.29 117.51 119.86 1wh4 h ILE 18 Ca -0.44 -0.36 0.00 0.00 -0.39 0.00 0.00 64.86 63.67 1wh4 h ILE 18 Cb 1.21 1.02 0.00 0.00 -3.07 0.00 0.00 36.82 35.97 1wh4 h ILE 18 CO 0.58 0.12 0.00 -2.11 -0.69 0.00 0.00 178.15 176.05 1wh4 n ARG 19 N -4.88 0.03 0.14 2.37 1.85 -1.26 -1.55 116.66 113.36 1wh4 n ARG 19 Ca -0.04 0.30 0.01 0.00 -1.00 0.00 0.00 57.85 57.13 1wh4 n ARG 19 Cb 0.09 -1.57 0.08 0.00 -1.05 0.00 0.00 32.46 30.01 1wh4 n ARG 19 CO 0.00 0.00 0.00 -0.97 -0.01 0.00 0.00 177.63 176.65 1wh4 h ASN 20 N 0.00 0.00 -3.70 2.89 -0.73 -1.42 -3.45 115.58 109.17 1wh4 h ASN 20 Ca 0.00 0.00 -0.57 0.00 1.87 0.00 0.00 56.30 57.60 1wh4 h ASN 20 Cb 0.24 0.00 0.16 0.00 0.27 0.00 0.00 38.32 38.99 1wh4 h ASN 20 CO 0.00 0.57 0.27 0.18 -0.37 0.00 0.00 177.43 178.08 1wh4 n LEU 21 N -3.34 4.31 -4.87 0.34 4.77 -0.60 -4.95 117.00 112.66 1wh4 n LEU 21 Ca 0.01 0.86 -0.30 0.00 -0.03 0.00 0.00 56.01 56.54 1wh4 n LEU 21 Cb 0.71 -1.45 -0.03 0.00 -2.33 0.00 0.00 43.42 40.32 1wh4 n LEU 21 CO 0.41 -1.47 0.44 0.21 -1.33 0.00 0.00 177.39 175.65 1wh4 s ASN 22 N -1.17 6.53 0.62 -1.43 2.47 -1.26 -4.93 114.94 115.78 1wh4 s ASN 22 Ca 0.75 1.14 0.31 0.00 0.42 0.00 0.00 52.86 55.48 1wh4 s ASN 22 Cb -0.42 -2.33 1.71 0.00 -1.45 0.00 0.00 41.25 38.76 1wh4 s ASN 22 CO 0.47 -0.39 2.03 1.62 -3.72 0.00 0.00 177.10 177.11 1wh4 h VAL 23 N 1.14 0.24 0.66 -5.21 3.04 -1.96 -0.28 116.25 113.88 1wh4 h VAL 23 Ca -0.47 0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 65.19 1wh4 h VAL 23 Cb 1.19 0.76 0.01 0.00 -2.01 0.00 0.00 31.29 31.23 1wh4 h VAL 23 CO 0.64 0.00 -0.32 1.23 -1.01 0.00 0.00 177.57 178.11 1wh4 h GLY 24 N 0.00 -0.92 1.23 3.17 0.00 -2.01 -2.93 103.07 101.61 1wh4 h GLY 24 Ca 0.07 0.34 -0.05 0.00 0.00 0.00 0.00 47.33 47.70 1wh4 h GLY 24 CO -0.00 -0.34 0.21 -2.22 0.00 0.00 0.00 176.54 174.19 1wh4 h ILE 25 N -1.01 1.24 0.00 2.60 5.03 -1.56 -2.80 117.51 121.00 1wh4 h ILE 25 Ca -0.09 -0.80 0.00 0.00 -0.12 0.00 0.00 64.86 63.85 1wh4 h ILE 25 Cb 0.71 0.52 0.00 0.00 -3.03 0.00 0.00 36.82 35.02 1wh4 h ILE 25 CO 0.15 0.31 0.00 0.18 -0.68 0.00 0.00 178.15 178.11 1wh4 n LEU 26 N -4.28 0.09 0.02 1.44 4.77 -0.26 -0.55 117.00 118.24 1wh4 n LEU 26 Ca 0.05 0.53 -0.22 0.00 -0.03 0.00 0.00 56.01 56.34 1wh4 n LEU 26 Cb 0.21 -0.52 -0.14 0.00 -2.33 0.00 0.00 43.42 40.64 1wh4 n LEU 26 CO 0.40 -0.35 -0.45 0.03 -1.33 0.00 0.00 177.39 175.70 1wh4 h ARG 27 N 0.00 0.28 -0.29 3.23 3.08 -1.30 -3.33 114.38 116.05 1wh4 h ARG 27 Ca 0.00 -0.48 -0.12 0.00 0.07 0.00 0.00 59.98 59.45 1wh4 h ARG 27 Cb 0.21 0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 1wh4 h ARG 27 CO 0.00 1.23 -0.32 0.87 -1.07 0.00 0.00 179.97 180.68 1wh4 h LYS 28 N -0.21 0.61 0.46 0.04 1.57 -0.96 0.19 116.57 118.26 1wh4 h LYS 28 Ca -0.31 -0.27 -0.02 0.00 -1.87 0.00 0.00 60.65 58.18 1wh4 h LYS 28 Cb 1.84 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 34.14 1wh4 h LYS 28 CO 0.09 0.85 -0.23 -0.07 -0.57 0.00 0.00 179.45 179.52 1wh4 h LEU 29 N 0.52 -0.54 -2.01 2.94 -0.00 -1.06 -3.10 115.31 112.06 1wh4 h LEU 29 Ca 0.06 0.02 0.12 0.00 -0.00 0.00 0.00 57.88 58.08 1wh4 h LEU 29 Cb 0.80 0.14 -0.02 0.00 -0.00 0.00 0.00 40.66 41.58 1wh4 h LEU 29 CO 0.07 -0.38 0.31 -1.28 -0.00 0.00 0.00 178.44 177.15 1wh4 h SER 30 N -0.62 0.00 -0.97 -0.43 0.87 -1.57 0.01 113.55 110.84 1wh4 h SER 30 Ca -0.06 0.00 0.24 0.00 -1.23 0.00 0.00 61.79 60.74 1wh4 h SER 30 Cb 0.48 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 62.37 1wh4 h SER 30 CO 0.10 0.00 0.65 0.44 -0.53 0.00 0.00 176.83 177.49 1wh4 h ASP 31 N 0.00 0.32 0.00 6.23 3.32 -0.89 -1.40 116.42 124.01 1wh4 h ASP 31 Ca 0.20 0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.26 1wh4 h ASP 31 Cb 0.82 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.35 1wh4 h ASP 31 CO -0.00 0.10 -1.68 0.49 -1.72 0.00 0.00 179.24 176.43 1wh4 n PHE 32 N -4.48 0.00 -0.08 4.55 3.72 -0.09 -4.64 117.46 116.44 1wh4 n PHE 32 Ca 0.22 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.55 1wh4 n PHE 32 Cb 0.84 -0.37 -0.16 0.00 -0.94 0.00 0.00 39.48 38.85 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 -2.06 1.12 0.28 4.37 2.08 -0.70 -4.36 119.36 120.09 1wh4 n ILE 33 Ca -0.05 -0.78 -0.16 0.00 0.56 0.00 0.00 62.75 62.31 1wh4 n ILE 33 Cb 0.45 -0.39 -0.08 0.00 -0.75 0.00 0.00 39.64 38.87 1wh4 n ILE 33 CO 0.00 0.00 0.00 0.44 0.56 0.00 0.00 176.55 177.55 1wh4 h ASP 34 N 0.00 -0.55 -3.51 4.38 5.19 -1.53 0.21 116.42 120.62 1wh4 h ASP 34 Ca -0.44 0.02 -0.42 0.00 -0.62 0.00 0.00 57.03 55.57 1wh4 h ASP 34 Cb 2.01 0.14 0.19 0.00 0.18 0.00 0.00 39.33 41.85 1wh4 h ASP 34 CO 0.02 -0.39 0.12 -2.16 -3.12 0.00 0.00 179.24 173.71 1wh4 s PRO 35 N -6.10 -1.18 -0.30 3.56 0.04 -1.26 -3.96 135.00 125.80 1wh4 s PRO 35 Ca -0.16 0.00 0.00 0.00 0.04 0.00 0.00 61.00 60.88 1wh4 s PRO 35 Cb 0.04 -1.59 0.00 0.00 0.04 0.00 0.00 34.50 32.99 1wh4 s PRO 35 CO 0.63 -3.70 0.00 1.04 0.04 0.00 0.00 177.00 175.01 1wh4 n GLN 36 N -4.76 -1.91 -2.43 4.56 6.02 -1.26 -1.64 117.38 115.95 1wh4 n GLN 36 Ca 0.12 0.55 -0.10 0.00 -0.01 0.00 0.00 57.00 57.55 1wh4 n GLN 36 Cb 0.59 -4.83 -0.01 0.00 1.02 0.00 0.00 30.24 27.01 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 0.41 -2.32 -0.36 -1.09 1.02 -1.25 -4.87 120.64 112.18 1wh4 n GLU 37 Ca -0.03 0.51 0.11 0.00 -0.02 0.00 0.00 57.16 57.73 1wh4 n GLU 37 Cb 0.47 -5.09 0.29 0.00 -0.02 0.00 0.00 31.44 27.10 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 1.74 0.86 0.62 0.00 -1.02 -0.59 103.07 104.68 1wh4 h GLY 38 Ca -0.25 -0.38 -0.02 0.00 0.00 0.00 0.00 47.33 46.68 1wh4 h GLY 38 CO 0.29 0.01 0.06 0.11 0.00 0.00 0.00 176.54 177.01 1wh4 h TRP 39 N 0.84 0.32 -0.97 5.60 5.08 -1.21 0.59 115.95 126.21 1wh4 h TRP 39 Ca 0.55 -0.03 0.02 0.00 1.08 0.00 0.00 58.89 60.50 1wh4 h TRP 39 Cb 0.76 -0.09 -0.05 0.00 -3.00 0.00 0.00 29.16 26.77 1wh4 h TRP 39 CO -0.01 0.41 0.64 0.87 -1.28 0.00 0.00 178.44 179.07 1wh4 h LYS 40 N 0.14 1.25 -0.09 0.12 1.57 -1.57 0.33 116.57 118.32 1wh4 h LYS 40 Ca 0.06 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1wh4 h LYS 40 Cb 0.24 -0.28 -0.00 0.00 0.08 0.00 0.00 32.23 32.27 1wh4 h LYS 40 CO -0.00 0.82 -0.01 0.87 -0.57 0.00 0.00 179.45 180.56 1wh4 h LYS 41 N 1.28 0.17 -0.42 3.15 1.57 -0.89 -1.67 116.57 119.76 1wh4 h LYS 41 Ca 0.36 -0.06 0.02 0.00 -1.87 0.00 0.00 60.65 59.11 1wh4 h LYS 41 Cb -0.11 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.16 1wh4 h LYS 41 CO -0.09 0.46 0.24 1.25 -0.57 0.00 0.00 179.45 180.74 1wh4 h LEU 42 N -0.14 0.37 -0.58 2.94 7.12 -0.61 0.05 115.31 124.46 1wh4 h LEU 42 Ca 0.02 0.01 0.07 0.00 0.13 0.00 0.00 57.88 58.11 1wh4 h LEU 42 Cb 0.39 -0.07 -0.06 0.00 -0.53 0.00 0.00 40.66 40.40 1wh4 h LEU 42 CO 0.01 0.27 0.28 0.00 -0.13 0.00 0.00 178.44 178.86 1wh4 h ALA 43 N 1.20 0.76 0.00 1.25 0.00 -0.77 -1.02 119.26 120.68 1wh4 h ALA 43 Ca 0.17 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1wh4 h ALA 43 Cb 0.04 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1wh4 h ALA 43 CO -0.10 -0.09 -0.16 -0.39 0.00 0.00 0.00 179.25 178.52 1wh4 h VAL 44 N 0.51 0.31 -0.08 0.00 -1.51 -0.98 -3.14 116.25 111.37 1wh4 h VAL 44 Ca 0.27 -1.16 -0.14 0.00 -1.23 0.00 0.00 66.70 64.44 1wh4 h VAL 44 Cb 0.24 1.91 -0.01 0.00 -2.13 0.00 0.00 31.29 31.30 1wh4 h VAL 44 CO -0.22 0.15 -0.59 0.00 -1.23 0.00 0.00 177.57 175.68 1wh4 h ALA 45 N 1.84 0.86 -1.89 5.19 0.00 0.08 -3.43 119.26 121.91 1wh4 h ALA 45 Ca -0.00 -0.54 -0.57 0.00 0.00 0.00 0.00 54.91 53.81 1wh4 h ALA 45 Cb 0.90 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.56 1wh4 h ALA 45 CO 0.02 0.72 1.06 0.42 0.00 0.00 0.00 179.25 181.47 1wh4 s ILE 46 N -3.79 3.93 0.29 0.00 1.01 -0.49 -5.01 121.20 117.14 1wh4 s ILE 46 Ca -0.04 1.00 0.10 0.00 0.00 0.00 0.00 60.65 61.71 1wh4 s ILE 46 Cb 0.12 -4.08 -0.04 0.00 0.01 0.00 0.00 42.46 38.46 1wh4 s ILE 46 CO 0.80 -0.57 -0.00 -0.54 0.00 0.00 0.00 174.94 174.62 1wh4 s LYS 47 N 4.67 2.22 1.03 2.79 3.01 -1.26 -2.43 119.74 129.77 1wh4 s LYS 47 Ca 0.62 -1.51 -0.12 0.00 -1.01 0.00 0.00 55.97 53.95 1wh4 s LYS 47 Cb -0.17 -2.10 0.21 0.00 -1.01 0.00 0.00 37.83 34.76 1wh4 s LYS 47 CO 0.29 0.30 1.07 0.15 0.51 0.00 0.00 175.35 177.67 1wh4 s LYS 48 N -3.69 0.16 0.40 1.68 1.02 0.10 -4.81 119.74 114.60 1wh4 s LYS 48 Ca 0.32 0.89 0.10 0.00 0.02 0.00 0.00 55.97 57.31 1wh4 s LYS 48 Cb -0.05 -1.68 0.91 0.00 -0.52 0.00 0.00 37.83 36.49 1wh4 s LYS 48 CO 0.20 -3.01 1.97 -1.35 -0.92 0.00 0.00 175.35 172.23 1wh4 h PRO 49 N -2.11 0.54 0.00 -1.68 0.11 -2.01 -0.72 132.00 126.13 1wh4 h PRO 49 Ca -0.54 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.47 1wh4 h PRO 49 Cb 1.31 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1wh4 h PRO 49 CO 0.51 0.35 -0.30 0.77 -0.21 0.00 0.00 178.00 179.13 1wh4 h SER 50 N 0.55 0.00 0.00 -2.05 0.02 -2.06 -3.47 113.55 106.55 1wh4 h SER 50 Ca 0.29 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.24 1wh4 h SER 50 Cb 0.43 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.97 1wh4 h SER 50 CO -0.09 0.30 0.00 0.61 -1.14 0.00 0.00 176.83 176.50 1wh4 n GLY 51 N -0.03 1.04 3.77 -3.77 0.00 -0.27 -5.12 105.19 100.81 1wh4 n GLY 51 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.68 6.66 -0.33 1.61 1.01 -1.26 -4.59 116.67 118.09 1wh4 s ASP 52 Ca 0.00 2.70 -0.29 0.00 0.71 0.00 0.00 52.55 55.67 1wh4 s ASP 52 Cb 0.00 -2.65 -0.01 0.00 1.01 0.00 0.00 42.92 41.28 1wh4 s ASP 52 CO 0.00 -0.61 1.50 -0.62 0.21 0.00 0.00 175.17 175.65 1wh4 s ASP 53 N -0.52 6.34 0.62 0.27 2.15 -1.26 0.01 116.67 124.28 1wh4 s ASP 53 Ca 0.51 1.19 0.31 0.00 0.43 0.00 0.00 52.55 54.98 1wh4 s ASP 53 Cb -0.40 -2.54 1.75 0.00 -0.30 0.00 0.00 42.92 41.44 1wh4 s ASP 53 CO 0.53 -1.36 2.09 0.03 -0.17 0.00 0.00 175.17 176.29 1wh4 h ARG 54 N 10.77 0.00 -4.64 4.34 3.08 -1.77 -3.42 114.38 122.73 1wh4 h ARG 54 Ca -0.30 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 59.50 1wh4 h ARG 54 Cb 1.13 0.00 -0.18 0.00 0.08 0.00 0.00 29.97 30.99 1wh4 h ARG 54 CO 1.04 0.00 -0.72 0.71 -1.07 0.00 0.00 179.97 179.94 1wh4 s TYR 55 N -4.46 0.80 0.47 3.04 2.02 -1.26 -5.07 117.35 112.89 1wh4 s TYR 55 Ca -0.04 -0.70 0.00 0.00 -0.37 0.00 0.00 57.07 55.96 1wh4 s TYR 55 Cb 0.14 -0.47 -0.00 0.00 -0.40 0.00 0.00 41.96 41.23 1wh4 s TYR 55 CO 0.48 -0.11 0.01 -1.71 -1.57 0.00 0.00 175.55 172.65 1wh4 n ASN 56 N 0.72 3.19 0.17 2.29 2.85 -1.26 -4.94 115.26 118.28 1wh4 n ASN 56 Ca -0.18 -3.10 0.07 0.00 -0.11 0.00 0.00 54.58 51.27 1wh4 n ASN 56 Cb 0.58 0.38 0.58 0.00 1.24 0.00 0.00 39.78 42.55 1wh4 n ASN 56 CO 0.00 0.00 0.00 1.56 -2.11 0.00 0.00 177.26 176.71 1wh4 h GLN 57 N 0.00 0.16 -0.80 1.20 4.20 -2.01 0.77 115.11 118.64 1wh4 h GLN 57 Ca -0.39 -0.01 0.19 0.00 0.06 0.00 0.00 58.65 58.50 1wh4 h GLN 57 Cb 1.20 -0.04 -0.13 0.00 0.30 0.00 0.00 27.48 28.82 1wh4 h GLN 57 CO 0.65 0.11 0.17 0.35 -0.67 0.00 0.00 178.83 179.44 1wh4 h PHE 58 N 0.16 0.25 0.00 2.96 3.57 -2.00 0.17 116.94 122.05 1wh4 h PHE 58 Ca 0.06 0.05 -0.26 0.00 3.53 0.00 0.00 57.97 61.34 1wh4 h PHE 58 Cb 0.04 0.01 -0.04 0.00 2.79 0.00 0.00 35.95 38.75 1wh4 h PHE 58 CO -0.00 -0.16 -1.50 0.45 -2.23 0.00 0.00 178.31 174.88 1wh4 h HIS 59 N 0.22 0.00 -0.42 0.41 3.86 -1.32 -3.21 115.15 114.69 1wh4 h HIS 59 Ca 0.47 0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.69 1wh4 h HIS 59 Cb 0.86 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.30 1wh4 h HIS 59 CO -0.29 0.98 0.26 0.82 0.86 0.00 0.00 177.93 180.56 1wh4 h ILE 60 N 0.00 1.06 -0.92 2.45 1.08 -0.36 -1.47 117.51 119.35 1wh4 h ILE 60 Ca -0.21 -0.18 0.01 0.00 -0.39 0.00 0.00 64.86 64.10 1wh4 h ILE 60 Cb 1.93 0.49 -0.05 0.00 -3.07 0.00 0.00 36.82 36.12 1wh4 h ILE 60 CO 0.09 0.09 0.61 0.03 -0.69 0.00 0.00 178.15 178.28 1wh4 h ARG 61 N 0.52 1.19 -0.70 2.37 2.47 -0.78 0.41 114.38 119.86 1wh4 h ARG 61 Ca 0.17 -0.07 0.00 0.00 -1.26 0.00 0.00 59.98 58.82 1wh4 h ARG 61 Cb -0.01 -0.27 -0.03 0.00 -1.65 0.00 0.00 29.97 28.01 1wh4 h ARG 61 CO -0.07 0.78 0.44 -0.09 0.56 0.00 0.00 179.97 181.60 1wh4 h ARG 62 N 1.22 0.93 -0.10 0.04 2.43 -1.48 -1.27 114.38 116.14 1wh4 h ARG 62 Ca 0.34 -0.07 -0.22 0.00 -0.81 0.00 0.00 59.98 59.22 1wh4 h ARG 62 Cb -0.11 -0.20 0.01 0.00 -0.42 0.00 0.00 29.97 29.25 1wh4 h ARG 62 CO -0.08 0.63 -0.82 0.74 -1.51 0.00 0.00 179.97 178.93 1wh4 h PHE 63 N 0.95 0.92 -0.51 2.20 0.04 0.02 -3.27 116.94 117.30 1wh4 h PHE 63 Ca 0.25 -0.43 0.07 0.00 2.80 0.00 0.00 57.97 60.67 1wh4 h PHE 63 Cb -0.07 -0.13 -0.06 0.00 2.20 0.00 0.00 35.95 37.88 1wh4 h PHE 63 CO 0.00 1.24 0.16 0.93 -0.60 0.00 0.00 178.31 180.05 1wh4 h GLU 64 N 0.44 0.32 -1.22 1.51 5.08 0.11 -1.52 114.58 119.32 1wh4 h GLU 64 Ca -0.06 -0.02 0.35 0.00 -1.00 0.00 0.00 59.36 58.63 1wh4 h GLU 64 Cb 1.44 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 30.56 1wh4 h GLU 64 CO 0.16 0.21 0.86 0.00 -1.00 0.00 0.00 179.01 179.24 1wh4 h ALA 65 N 1.35 2.99 0.65 3.43 0.00 -1.29 0.44 119.26 126.83 1wh4 h ALA 65 Ca 0.25 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 1wh4 h ALA 65 Cb 0.28 0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.17 1wh4 h ALA 65 CO -0.27 -1.37 -0.31 -0.07 0.00 0.00 0.00 179.25 177.23 1wh4 h LEU 66 N 0.07 -0.74 -1.52 0.00 3.38 -1.40 -3.23 115.31 111.86 1wh4 h LEU 66 Ca 0.61 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.55 1wh4 h LEU 66 Cb 2.24 0.19 -0.01 0.00 0.09 0.00 0.00 40.66 43.17 1wh4 h LEU 66 CO -0.08 -0.37 0.02 0.17 0.09 0.00 0.00 178.44 178.27 1wh4 h LEU 67 N -1.17 0.29 -1.39 1.67 8.10 -0.62 -0.30 115.31 121.90 1wh4 h LEU 67 Ca -0.09 -0.04 0.00 0.00 0.11 0.00 0.00 57.88 57.87 1wh4 h LEU 67 Cb 0.70 -0.08 0.00 0.00 -0.44 0.00 0.00 40.66 40.84 1wh4 h LEU 67 CO 0.15 0.34 0.00 1.56 -4.11 0.00 0.00 178.44 176.37 1wh4 h GLN 68 N 0.32 0.00 0.00 0.17 1.08 -1.19 -1.17 115.11 114.32 1wh4 h GLN 68 Ca 0.08 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.26 1wh4 h GLN 68 Cb 0.19 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.58 1wh4 h GLN 68 CO 0.00 0.00 -0.37 -2.37 -0.95 0.00 0.00 178.83 175.14 1wh4 n THR 69 N -2.34 0.87 -0.91 -0.54 5.66 -0.45 -5.03 114.28 111.54 1wh4 n THR 69 Ca -0.01 -1.20 0.00 0.00 -3.05 0.00 0.00 64.05 59.79 1wh4 n THR 69 Cb 0.09 0.22 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 -0.57 0.51 3.75 1.09 0.00 -0.28 -5.00 105.19 104.69 1wh4 n GLY 70 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.49 4.51 -0.02 1.61 1.02 -0.28 -4.90 119.74 121.18 1wh4 s LYS 71 Ca 0.00 1.91 -0.30 0.00 0.02 0.00 0.00 55.97 57.60 1wh4 s LYS 71 Cb 0.00 -3.20 -0.06 0.00 -0.52 0.00 0.00 37.83 34.05 1wh4 s LYS 71 CO 0.00 -0.03 1.60 -1.12 -0.92 0.00 0.00 175.35 174.88 1wh4 s SER 72 N -0.21 6.69 0.37 2.83 0.01 -1.26 -2.40 113.70 119.74 1wh4 s SER 72 Ca 0.50 2.25 0.08 0.00 1.31 0.00 0.00 55.95 60.09 1wh4 s SER 72 Cb -0.34 -2.54 0.73 0.00 0.21 0.00 0.00 66.02 64.08 1wh4 s SER 72 CO 0.40 -0.88 1.90 1.55 0.41 0.00 0.00 173.24 176.62 1wh4 h PRO 73 N 8.94 0.31 -0.67 12.44 0.13 -1.89 -2.67 132.00 148.59 1wh4 h PRO 73 Ca -0.39 -0.07 0.13 0.00 -0.87 0.00 0.00 66.00 64.80 1wh4 h PRO 73 Cb 1.18 -0.04 -0.09 0.00 0.13 0.00 0.00 31.00 32.17 1wh4 h PRO 73 CO 0.94 0.43 0.18 1.15 -0.23 0.00 0.00 178.00 180.47 1wh4 h THR 74 N 0.30 0.61 -0.07 1.56 2.02 -1.91 0.16 112.91 115.58 1wh4 h THR 74 Ca 0.06 -0.10 -0.02 0.00 0.77 0.00 0.00 66.41 67.11 1wh4 h THR 74 Cb 0.37 0.28 -0.00 0.00 -1.74 0.00 0.00 68.15 67.06 1wh4 h THR 74 CO 0.02 0.06 -0.05 0.00 0.37 0.00 0.00 175.52 175.92 1wh4 h GLU 76 N -0.25 0.62 0.28 0.00 4.39 -1.41 -0.38 114.58 117.83 1wh4 h GLU 76 Ca 0.01 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.67 1wh4 h GLU 76 Cb 0.53 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 1wh4 h GLU 76 CO 0.01 0.42 -0.20 1.25 -1.16 0.00 0.00 179.01 179.33 1wh4 h LEU 77 N 0.63 -0.51 -0.60 1.33 5.85 -0.62 0.14 115.31 121.53 1wh4 h LEU 77 Ca 0.17 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.90 1wh4 h LEU 77 Cb -0.06 0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 1wh4 h LEU 77 CO -0.04 -0.31 0.25 -0.07 -0.34 0.00 0.00 178.44 177.94 1wh4 h LEU 78 N -0.47 0.82 -0.43 2.25 3.38 -0.95 -0.96 115.31 118.94 1wh4 h LEU 78 Ca -0.02 -0.16 -0.17 0.00 0.09 0.00 0.00 57.88 57.62 1wh4 h LEU 78 Cb 0.41 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 1wh4 h LEU 78 CO 0.00 0.75 -0.55 0.15 0.09 0.00 0.00 178.44 178.88 1wh4 h PHE 79 N 0.83 0.86 -0.30 1.13 3.57 -0.81 0.14 116.94 122.36 1wh4 h PHE 79 Ca 0.20 -0.31 -0.11 0.00 3.53 0.00 0.00 57.97 61.28 1wh4 h PHE 79 Cb 0.18 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.75 1wh4 h PHE 79 CO 0.01 1.08 -0.26 0.22 -2.23 0.00 0.00 178.31 177.13 1wh4 h ASP 80 N 0.52 0.75 0.24 0.41 3.58 -0.72 -3.01 116.42 118.19 1wh4 h ASP 80 Ca 0.01 -0.46 -0.05 0.00 0.42 0.00 0.00 57.03 56.96 1wh4 h ASP 80 Cb 1.12 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.95 1wh4 h ASP 80 CO 0.11 1.05 -0.23 -0.25 -2.88 0.00 0.00 179.24 177.04 1wh4 h TRP 81 N 0.46 0.00 -0.33 0.28 7.01 -1.02 -0.16 115.95 122.19 1wh4 h TRP 81 Ca 0.05 0.00 0.09 0.00 2.11 0.00 0.00 58.89 61.15 1wh4 h TRP 81 Cb 0.82 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.87 1wh4 h TRP 81 CO 0.07 0.23 0.29 0.78 -2.79 0.00 0.00 178.44 177.02 1wh4 h GLY 82 N 0.71 0.00 -0.26 2.65 0.00 -0.83 -0.68 103.07 104.67 1wh4 h GLY 82 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1wh4 h GLY 82 CO 0.03 0.00 -0.76 -0.37 0.00 0.00 0.00 176.54 175.44 1wh4 n THR 83 N -4.02 0.00 0.08 4.70 5.66 -0.16 -2.88 114.28 117.65 1wh4 n THR 83 Ca 0.05 -0.12 0.01 0.00 -3.05 0.00 0.00 64.05 60.93 1wh4 n THR 83 Cb 0.46 1.07 0.32 0.00 -1.55 0.00 0.00 70.33 70.63 1wh4 n THR 83 CO 0.00 0.00 0.00 0.74 -3.05 0.00 0.00 175.07 172.76 1wh4 h THR 84 N 0.63 1.21 -1.83 1.09 2.02 -0.22 -3.49 112.91 112.32 1wh4 h THR 84 Ca 0.00 -0.95 0.00 0.00 0.77 0.00 0.00 66.41 66.23 1wh4 h THR 84 Cb 0.51 1.24 0.00 0.00 -1.74 0.00 0.00 68.15 68.16 1wh4 h THR 84 CO 0.00 0.30 0.00 0.59 0.37 0.00 0.00 175.52 176.78 1wh4 n ASN 85 N -4.22 -1.22 -4.02 4.18 3.02 -0.70 -5.11 115.26 107.19 1wh4 n ASN 85 Ca -0.00 0.00 -0.22 0.00 -0.03 0.00 0.00 54.58 54.33 1wh4 n ASN 85 Cb 0.31 -0.61 -0.09 0.00 -0.61 0.00 0.00 39.78 38.78 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 -3.42 1.30 0.29 0.00 -4.23 -1.26 -2.71 115.64 105.60 1wh4 s THR 87 Ca 0.32 -2.01 -0.01 0.00 -1.18 0.00 0.00 61.69 58.81 1wh4 s THR 87 Cb 0.04 -2.80 0.28 0.00 1.34 0.00 0.00 72.50 71.36 1wh4 s THR 87 CO 0.17 -0.02 1.91 0.58 -0.54 0.00 0.00 174.62 176.72 1wh4 h VAL 88 N 2.09 1.09 -0.38 2.29 2.07 -0.40 0.27 116.25 123.29 1wh4 h VAL 88 Ca -0.41 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 66.72 1wh4 h VAL 88 Cb 1.24 -0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 1wh4 h VAL 88 CO 0.71 0.20 0.18 1.23 0.02 0.00 0.00 177.57 179.91 1wh4 h GLY 89 N 1.10 0.59 0.50 2.17 0.00 -0.98 0.52 103.07 106.96 1wh4 h GLY 89 Ca 0.39 -0.30 0.04 0.00 0.00 0.00 0.00 47.33 47.47 1wh4 h GLY 89 CO -0.14 0.28 -0.13 -1.80 0.00 0.00 0.00 176.54 174.74 1wh4 h ASP 90 N 0.48 -0.42 0.29 0.19 3.58 -1.62 -1.25 116.42 117.68 1wh4 h ASP 90 Ca 0.13 0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.67 1wh4 h ASP 90 Cb 0.12 0.20 -0.03 0.00 1.72 0.00 0.00 39.33 41.35 1wh4 h ASP 90 CO -0.02 -0.18 -0.33 0.25 -2.88 0.00 0.00 179.24 176.08 1wh4 h LEU 91 N -0.16 -0.91 -0.47 2.28 5.85 -0.57 -1.62 115.31 119.70 1wh4 h LEU 91 Ca 0.09 0.08 0.09 0.00 0.84 0.00 0.00 57.88 58.99 1wh4 h LEU 91 Cb 0.29 0.32 -0.09 0.00 0.37 0.00 0.00 40.66 41.55 1wh4 h LEU 91 CO -0.23 -0.46 -0.10 0.58 -0.34 0.00 0.00 178.44 177.89 1wh4 h VAL 92 N -0.67 0.54 -0.26 1.05 2.07 -0.76 0.13 116.25 118.35 1wh4 h VAL 92 Ca -0.01 -0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.54 1wh4 h VAL 92 Cb 0.62 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 30.88 1wh4 h VAL 92 CO -0.09 0.00 0.04 -0.78 0.02 0.00 0.00 177.57 176.76 1wh4 h ASP 93 N 0.01 -0.02 -0.54 0.57 3.58 -0.66 0.46 116.42 119.82 1wh4 h ASP 93 Ca 0.23 0.05 -0.05 0.00 0.42 0.00 0.00 57.03 57.68 1wh4 h ASP 93 Cb 0.35 0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.44 1wh4 h ASP 93 CO -0.48 0.02 0.15 -0.07 -2.88 0.00 0.00 179.24 175.99 1wh4 h LEU 94 N 0.13 0.81 -0.63 2.28 3.38 -0.93 -2.03 115.31 118.31 1wh4 h LEU 94 Ca 0.12 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 1wh4 h LEU 94 Cb 0.13 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1wh4 h LEU 94 CO -0.17 0.81 0.33 -0.07 0.09 0.00 0.00 178.44 179.43 1wh4 h LEU 95 N 0.76 0.81 -0.89 1.67 3.38 -0.05 -1.35 115.31 119.64 1wh4 h LEU 95 Ca 0.17 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1wh4 h LEU 95 Cb 0.31 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 1wh4 h LEU 95 CO -0.00 0.69 0.56 0.58 0.09 0.00 0.00 178.44 180.35 1wh4 h VAL 96 N 0.86 1.24 0.00 1.22 2.07 -0.82 0.13 116.25 120.96 1wh4 h VAL 96 Ca 0.22 -0.49 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 1wh4 h VAL 96 Cb 0.07 -0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 29.81 1wh4 h VAL 96 CO -0.03 0.24 -0.07 -0.61 0.02 0.00 0.00 177.57 177.12 1wh4 h GLN 97 N 1.21 0.00 -0.40 1.57 4.15 -0.50 -0.93 115.11 120.21 1wh4 h GLN 97 Ca 0.32 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.74 1wh4 h GLN 97 Cb -0.09 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.60 1wh4 h GLN 97 CO -0.06 0.07 0.00 0.44 -1.93 0.00 0.00 178.83 177.34 1wh4 n ILE 98 N -3.63 0.72 -1.10 2.39 -5.35 -0.91 -4.98 119.36 106.50 1wh4 n ILE 98 Ca -0.02 -0.86 -0.01 0.00 -0.27 0.00 0.00 62.75 61.59 1wh4 n ILE 98 Cb 0.18 0.74 -0.00 0.00 -1.74 0.00 0.00 39.64 38.81 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 1.06 -0.05 -3.05 6.28 2.13 -0.35 -4.98 120.64 121.67 1wh4 n GLU 99 Ca 0.16 0.49 -0.43 0.00 0.66 0.00 0.00 57.16 58.04 1wh4 n GLU 99 Cb 0.50 -4.02 0.01 0.00 0.27 0.00 0.00 31.44 28.20 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 -0.08 6.30 0.06 4.31 7.99 0.00 -4.84 117.00 130.74 1wh4 n LEU 100 Ca -0.01 -5.20 -0.14 0.00 -0.01 0.00 0.00 56.01 50.65 1wh4 n LEU 100 Cb 0.06 -1.29 -0.05 0.00 -0.11 0.00 0.00 43.42 42.04 1wh4 n LEU 100 CO 0.01 1.66 0.19 -0.26 -1.51 0.00 0.00 177.39 177.48 1wh4 h PHE 101 N 5.55 0.67 -0.37 -1.77 0.04 -1.92 -2.98 116.94 116.17 1wh4 h PHE 101 Ca 0.20 -0.35 0.08 0.00 2.80 0.00 0.00 57.97 60.69 1wh4 h PHE 101 Cb 0.64 -0.08 -0.08 0.00 2.20 0.00 0.00 35.95 38.63 1wh4 h PHE 101 CO 0.98 1.17 -0.18 0.00 -0.60 0.00 0.00 178.31 179.68 1wh4 h ALA 102 N 0.72 0.09 -0.29 2.45 0.00 -1.97 0.24 119.26 120.51 1wh4 h ALA 102 Ca -0.08 0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 1wh4 h ALA 102 Cb 1.56 0.44 -0.00 0.00 0.00 0.00 0.00 17.79 19.78 1wh4 h ALA 102 CO 0.16 -0.56 -0.34 -1.00 0.00 0.00 0.00 179.25 177.52 1wh4 h PRO 103 N -0.12 0.73 -0.86 0.00 0.13 -1.92 -1.13 132.00 128.83 1wh4 h PRO 103 Ca 0.18 -0.41 0.14 0.00 -0.87 0.00 0.00 66.00 65.05 1wh4 h PRO 103 Cb 0.40 0.02 -0.09 0.00 0.13 0.00 0.00 31.00 31.46 1wh4 h PRO 103 CO -0.45 1.03 0.46 0.00 -0.23 0.00 0.00 178.00 178.81 1wh4 h ALA 104 N 0.70 1.30 0.01 -0.56 0.00 -1.32 -1.59 119.26 117.79 1wh4 h ALA 104 Ca 0.04 0.08 -0.20 0.00 0.00 0.00 0.00 54.91 54.83 1wh4 h ALA 104 Cb 0.92 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1wh4 h ALA 104 CO 0.08 -0.05 -0.89 1.15 0.00 0.00 0.00 179.25 179.54 1wh4 h THR 105 N 0.67 1.53 -0.25 0.00 2.02 -0.39 0.15 112.91 116.64 1wh4 h THR 105 Ca 0.46 -2.72 -0.12 0.00 0.77 0.00 0.00 66.41 64.81 1wh4 h THR 105 Cb 0.62 2.52 -0.01 0.00 -1.74 0.00 0.00 68.15 69.54 1wh4 h THR 105 CO -0.34 0.79 -0.33 0.25 0.37 0.00 0.00 175.52 176.25 1wh4 h LEU 106 N 0.08 0.55 0.17 2.58 5.85 -0.58 -2.28 115.31 121.68 1wh4 h LEU 106 Ca -0.04 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.46 1wh4 h LEU 106 Cb 1.53 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.41 1wh4 h LEU 106 CO 0.13 0.84 -0.08 -0.07 -0.34 0.00 0.00 178.44 178.92 1wh4 h LEU 107 N 0.45 -0.19 -5.76 2.25 3.38 -1.19 -3.44 115.31 110.81 1wh4 h LEU 107 Ca 0.05 -0.34 -0.35 0.00 0.09 0.00 0.00 57.88 57.33 1wh4 h LEU 107 Cb 0.80 0.05 -0.27 0.00 0.09 0.00 0.00 40.66 41.33 1wh4 h LEU 107 CO 0.06 0.30 -0.71 -0.22 0.09 0.00 0.00 178.44 177.97 1wh4 s LEU 108 N -9.17 -0.15 0.48 1.67 2.96 0.53 -3.12 118.68 111.88 1wh4 s LEU 108 Ca -0.14 -2.20 0.31 0.00 -0.22 0.00 0.00 54.13 51.88 1wh4 s LEU 108 Cb 0.01 0.80 1.29 0.00 0.50 0.00 0.00 46.19 48.79 1wh4 s LEU 108 CO 0.54 -0.13 1.92 1.55 -1.32 0.00 0.00 176.35 178.91 1wh4 h PRO 109 N 5.61 0.00 0.00 0.98 0.13 -1.59 -2.95 132.00 134.18 1wh4 h PRO 109 Ca 0.14 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.13 1wh4 h PRO 109 Cb 1.03 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.13 1wh4 h PRO 109 CO 0.18 0.00 -1.26 0.22 -0.23 0.00 0.00 178.00 176.91 1wh4 h ASP 110 N 0.00 0.00 -0.14 1.44 1.82 -1.92 -3.39 116.42 114.24 1wh4 h ASP 110 Ca 0.00 0.00 -0.09 0.00 -0.39 0.00 0.00 57.03 56.55 1wh4 h ASP 110 Cb 0.47 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.48 1wh4 h ASP 110 CO 0.00 0.52 -0.27 0.00 -1.61 0.00 0.00 179.24 177.88 1wh4 h ALA 111 N 1.48 0.21 -2.87 -0.78 0.00 -1.87 -3.46 119.26 111.98 1wh4 h ALA 111 Ca -0.13 -0.40 -0.57 0.00 0.00 0.00 0.00 54.91 53.82 1wh4 h ALA 111 Cb 1.51 -0.03 0.16 0.00 0.00 0.00 0.00 17.79 19.42 1wh4 h ALA 111 CO 0.04 0.21 0.21 1.55 0.00 0.00 0.00 179.25 181.26 1wh4 n VAL 112 N -4.43 3.87 -1.05 0.00 3.14 -1.26 -4.86 118.33 113.74 1wh4 n VAL 112 Ca -0.07 -0.50 -0.27 0.00 -2.96 0.00 0.00 64.34 60.54 1wh4 n VAL 112 Cb 0.45 -1.22 -0.06 0.00 -1.06 0.00 0.00 33.84 31.95 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 -1.12 2.77 -4.05 1.45 -0.04 -1.26 -4.72 135.00 128.02 1wh4 n PRO 113 Ca 0.14 -1.64 -0.08 0.00 -0.04 0.00 0.00 63.50 61.88 1wh4 n PRO 113 Cb 0.47 -2.47 -0.10 0.00 -0.04 0.00 0.00 33.50 31.36 1wh4 n PRO 113 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1wh4 s GLN 114 N 2.19 0.57 0.28 0.54 2.00 -1.26 -5.19 119.66 118.78 1wh4 s GLN 114 Ca 0.60 -1.07 0.05 0.00 -2.00 0.00 0.00 55.36 52.94 1wh4 s GLN 114 Cb 0.19 0.20 -0.06 0.00 0.80 0.00 0.00 33.01 34.14 1wh4 s GLN 114 CO -0.04 -0.11 -0.01 0.95 -0.50 0.00 0.00 175.29 175.59 1wh4 s THR 115 N -3.39 1.31 -0.02 -0.34 -4.23 -1.26 -4.91 115.64 102.80 1wh4 s THR 115 Ca 0.02 -2.06 -0.11 0.00 -1.18 0.00 0.00 61.69 58.37 1wh4 s THR 115 Cb 0.04 -2.52 0.01 0.00 1.34 0.00 0.00 72.50 71.37 1wh4 s THR 115 CO -0.08 -0.22 0.23 0.54 -0.54 0.00 0.00 174.62 174.55 1wh4 s VAL 116 N -3.23 0.06 0.64 2.29 0.11 -1.26 -5.16 120.40 113.85 1wh4 s VAL 116 Ca 0.31 -0.47 -0.11 0.00 -2.93 0.00 0.00 61.98 58.78 1wh4 s VAL 116 Cb 0.06 -0.50 -0.03 0.00 -1.53 0.00 0.00 36.38 34.38 1wh4 s VAL 116 CO 0.12 -0.26 1.04 -0.54 -3.33 0.00 0.00 175.10 172.13 1wh4 s LYS 117 N -1.08 3.47 0.14 1.54 -0.14 -1.26 -5.10 119.74 117.30 1wh4 s LYS 117 Ca -0.12 0.71 -0.25 0.00 -1.36 0.00 0.00 55.97 54.96 1wh4 s LYS 117 Cb -0.06 -2.07 0.07 0.00 -1.68 0.00 0.00 37.83 34.09 1wh4 s LYS 117 CO 0.02 -0.66 0.79 0.45 -0.76 0.00 0.00 175.35 175.19 1wh4 s SER 118 N -4.19 -0.36 0.56 2.83 0.15 -1.26 -5.17 113.70 106.26 1wh4 s SER 118 Ca 0.56 -0.21 -0.17 0.00 0.70 0.00 0.00 55.95 56.82 1wh4 s SER 118 Cb -0.11 0.54 -0.05 0.00 -1.71 0.00 0.00 66.02 64.69 1wh4 s SER 118 CO 0.54 -0.93 1.06 -0.76 1.20 0.00 0.00 173.24 174.34 1wh4 s LEU 119 N -2.75 3.61 0.12 3.45 1.43 -1.26 -5.02 118.68 118.26 1wh4 s LEU 119 Ca 0.07 1.88 -0.31 0.00 -1.03 0.00 0.00 54.13 54.74 1wh4 s LEU 119 Cb -0.02 -4.54 -0.08 0.00 0.03 0.00 0.00 46.19 41.58 1wh4 s LEU 119 CO -0.04 -1.08 1.35 -2.16 0.23 0.00 0.00 176.35 174.65 1wh4 s PRO 120 N -3.79 4.35 -1.30 1.29 0.04 -1.26 -4.93 135.00 129.39 1wh4 s PRO 120 Ca 0.65 2.04 -0.18 0.00 0.04 0.00 0.00 61.00 63.55 1wh4 s PRO 120 Cb -0.17 -3.25 0.03 0.00 0.04 0.00 0.00 34.50 31.15 1wh4 s PRO 120 CO 0.32 -0.38 1.92 -0.35 0.04 0.00 0.00 177.00 178.54 1wh4 n PRO 121 N 3.71 2.81 -2.69 0.56 -0.04 -1.26 -4.59 135.00 133.50 1wh4 n PRO 121 Ca 0.10 -2.90 -0.06 0.00 -0.04 0.00 0.00 63.50 60.60 1wh4 n PRO 121 Cb 0.43 -3.42 0.10 0.00 -0.04 0.00 0.00 33.50 30.56 1wh4 n PRO 121 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wh4 n SER 122 N 8.28 -0.86 -3.35 3.54 2.88 -1.26 -5.14 113.62 117.72 1wh4 n SER 122 Ca 0.50 -2.47 -0.05 0.00 -1.33 0.00 0.00 58.87 55.52 1wh4 n SER 122 Cb 0.44 0.52 0.01 0.00 -0.75 0.00 0.00 64.21 64.43 1wh4 n SER 122 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wh4 s GLY 123 N -1.79 0.11 -0.37 0.46 0.00 -1.26 -5.10 107.32 99.37 1wh4 s GLY 123 Ca 0.22 -0.38 -0.27 0.00 0.00 0.00 0.00 44.72 44.28 1wh4 s GLY 123 CO -0.06 0.83 2.07 2.56 0.00 0.00 0.00 173.10 178.50 1wh4 s PRO 124 N -2.60 2.90 0.32 2.90 0.04 -1.26 -4.86 135.00 132.44 1wh4 s PRO 124 Ca 0.17 1.49 0.03 0.00 0.04 0.00 0.00 61.00 62.72 1wh4 s PRO 124 Cb -0.03 -4.36 0.56 0.00 0.04 0.00 0.00 34.50 30.70 1wh4 s PRO 124 CO 0.07 -2.37 1.87 0.77 0.04 0.00 0.00 177.00 177.38 1wh4 h SER 125 N 15.32 0.58 -5.01 6.66 0.02 -2.02 -3.47 113.55 125.62 1wh4 h SER 125 Ca -0.33 -0.10 -0.21 0.00 -0.84 0.00 0.00 61.79 60.31 1wh4 h SER 125 Cb 1.21 -0.15 0.01 0.00 0.14 0.00 0.00 62.40 63.61 1wh4 h SER 125 CO 1.06 0.61 -0.80 -0.24 -1.14 0.00 0.00 176.83 176.32 1wh4 n SER 126 N -4.29 -3.88 0.00 3.07 2.88 -1.26 -5.19 113.62 104.94 1wh4 n SER 126 Ca 0.02 -0.03 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 1wh4 n SER 126 Cb 0.22 -1.08 0.00 0.00 -0.75 0.00 0.00 64.21 62.61 1wh4 n SER 126 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42