#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 -6.34 -0.90 1.61 7.64 -1.26 -5.05 113.62 109.32 1wh4 n SER 2 Ca 0.00 0.69 0.04 0.00 1.01 0.00 0.00 58.87 60.61 1wh4 n SER 2 Cb 0.00 -3.74 -0.01 0.00 -1.01 0.00 0.00 64.21 59.45 1wh4 n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wh4 n SER 3 N -4.28 -5.39 -0.82 6.43 2.88 -1.26 -4.96 113.62 106.22 1wh4 n SER 3 Ca -0.02 0.35 0.00 0.00 -1.33 0.00 0.00 58.87 57.87 1wh4 n SER 3 Cb 0.63 -1.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.09 1wh4 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wh4 n GLY 4 N -0.98 1.38 2.97 0.46 0.00 -1.26 -4.98 105.19 102.79 1wh4 n GLY 4 Ca 0.00 -1.87 -0.07 0.00 0.00 0.00 0.00 46.02 44.09 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 -7.76 0.13 1.61 7.64 -1.26 -4.71 113.62 109.27 1wh4 n SER 5 Ca 0.00 0.26 0.12 0.00 1.01 0.00 0.00 58.87 60.27 1wh4 n SER 5 Cb 0.00 -5.17 0.48 0.00 -1.01 0.00 0.00 64.21 58.51 1wh4 n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wh4 n SER 6 N -0.87 0.69 0.00 6.43 7.64 -1.26 -4.94 113.62 121.31 1wh4 n SER 6 Ca 0.06 0.65 0.00 0.00 1.01 0.00 0.00 58.87 60.60 1wh4 n SER 6 Cb 0.49 -0.81 0.00 0.00 -1.01 0.00 0.00 64.21 62.88 1wh4 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wh4 n GLY 7 N 0.17 1.10 3.56 0.23 0.00 -1.26 -4.58 105.19 104.41 1wh4 n GLY 7 Ca 0.03 -0.68 -0.21 0.00 0.00 0.00 0.00 46.02 45.16 1wh4 n GLY 7 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1wh4 s MET 8 N 0.00 2.09 -0.01 1.61 1.75 -1.26 -4.92 119.30 118.56 1wh4 s MET 8 Ca 0.00 0.12 0.04 0.00 -1.25 0.00 0.00 55.69 54.60 1wh4 s MET 8 Cb 0.00 -4.91 -0.01 0.00 2.84 0.00 0.00 34.83 32.75 1wh4 s MET 8 CO 0.00 -3.88 -0.12 1.21 -0.65 0.00 0.00 175.02 171.58 1wh4 s ASN 9 N 9.45 1.44 0.05 1.11 3.84 -1.26 -4.97 114.94 124.60 1wh4 s ASN 9 Ca 0.81 -0.22 0.00 0.00 0.21 0.00 0.00 52.86 53.66 1wh4 s ASN 9 Cb -0.10 -0.20 0.00 0.00 -0.55 0.00 0.00 41.25 40.40 1wh4 s ASN 9 CO 0.04 0.14 0.00 0.29 -2.79 0.00 0.00 177.10 174.78 1wh4 n LYS 10 N 2.87 -4.40 0.00 0.43 4.01 -1.26 -5.07 118.16 114.74 1wh4 n LYS 10 Ca -0.15 3.17 0.00 0.00 -0.51 0.00 0.00 58.31 60.82 1wh4 n LYS 10 Cb 0.55 -3.95 0.00 0.00 -0.51 0.00 0.00 35.03 31.12 1wh4 n LYS 10 CO 0.00 0.00 0.00 -0.35 -1.11 0.00 0.00 177.40 175.94 1wh4 n PRO 11 N 1.89 0.74 -1.67 1.97 -0.04 -1.26 -4.91 135.00 131.73 1wh4 n PRO 11 Ca 0.00 0.00 -0.47 0.00 -0.04 0.00 0.00 63.50 62.99 1wh4 n PRO 11 Cb 0.00 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.42 1wh4 n PRO 11 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1wh4 n LEU 12 N 0.00 3.12 -4.88 1.53 7.99 -1.26 -4.96 117.00 118.54 1wh4 n LEU 12 Ca 0.00 1.06 -0.30 0.00 -0.01 0.00 0.00 56.01 56.76 1wh4 n LEU 12 Cb 0.00 -1.40 -0.03 0.00 -0.11 0.00 0.00 43.42 41.88 1wh4 n LEU 12 CO 0.00 -0.26 0.42 0.42 -1.51 0.00 0.00 177.39 176.46 1wh4 s THR 13 N 1.63 4.82 -1.04 -5.08 -4.23 -1.26 -4.70 115.64 105.79 1wh4 s THR 13 Ca 0.82 0.52 0.14 0.00 -1.18 0.00 0.00 61.69 61.99 1wh4 s THR 13 Cb -0.69 -3.75 0.13 0.00 1.34 0.00 0.00 72.50 69.53 1wh4 s THR 13 CO 0.41 -0.54 1.44 -0.81 -0.54 0.00 0.00 174.62 174.59 1wh4 n PRO 14 N -1.37 0.02 0.00 3.99 -0.04 -1.26 -1.25 135.00 135.09 1wh4 n PRO 14 Ca 0.02 0.25 0.11 0.00 -0.04 0.00 0.00 63.50 63.84 1wh4 n PRO 14 Cb 0.54 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.55 1wh4 n PRO 14 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wh4 n SER 15 N -1.48 0.91 -4.73 3.54 2.88 -1.26 -0.71 113.62 112.77 1wh4 n SER 15 Ca 0.04 -0.77 -0.42 0.00 -1.33 0.00 0.00 58.87 56.39 1wh4 n SER 15 Cb 0.16 0.64 -0.02 0.00 -0.75 0.00 0.00 64.21 64.24 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 -2.93 2.17 0.64 2.46 2.01 -0.38 -4.79 115.64 114.82 1wh4 s THR 16 Ca 0.11 0.13 -0.16 0.00 0.31 0.00 0.00 61.69 62.08 1wh4 s THR 16 Cb 0.17 -3.08 -0.01 0.00 0.01 0.00 0.00 72.50 69.58 1wh4 s THR 16 CO 0.77 0.02 1.14 -0.31 -0.69 0.00 0.00 174.62 175.54 1wh4 s TYR 17 N 0.60 2.50 0.11 4.92 1.51 -1.26 -0.35 117.35 125.37 1wh4 s TYR 17 Ca 0.68 1.55 -0.20 0.00 -1.01 0.00 0.00 57.07 58.10 1wh4 s TYR 17 Cb -0.48 -3.28 -0.08 0.00 -0.11 0.00 0.00 41.96 38.01 1wh4 s TYR 17 CO 0.39 -1.89 1.72 0.82 -1.11 0.00 0.00 175.55 175.48 1wh4 h ILE 18 N 0.32 1.09 0.00 2.71 1.08 -1.83 -2.11 117.51 118.77 1wh4 h ILE 18 Ca -0.48 -0.24 0.00 0.00 -0.39 0.00 0.00 64.86 63.75 1wh4 h ILE 18 Cb 1.26 0.92 0.00 0.00 -3.07 0.00 0.00 36.82 35.93 1wh4 h ILE 18 CO 0.54 0.09 0.00 0.08 -0.69 0.00 0.00 178.15 178.17 1wh4 h ARG 19 N 0.21 0.00 0.00 2.37 0.11 -1.80 -0.84 114.38 114.43 1wh4 h ARG 19 Ca 0.07 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.12 1wh4 h ARG 19 Cb 0.05 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.12 1wh4 h ARG 19 CO -0.01 0.00 -0.14 -0.97 0.10 0.00 0.00 179.97 178.95 1wh4 h ASN 20 N 0.00 0.00 -3.29 0.08 -0.73 -1.76 -3.45 115.58 106.42 1wh4 h ASN 20 Ca 0.00 0.00 -0.53 0.00 1.87 0.00 0.00 56.30 57.64 1wh4 h ASN 20 Cb 0.01 0.00 0.02 0.00 0.27 0.00 0.00 38.32 38.62 1wh4 h ASN 20 CO 0.00 0.14 0.63 -0.76 -0.37 0.00 0.00 177.43 177.07 1wh4 s LEU 21 N -6.42 4.41 0.75 0.34 1.43 -0.32 -4.98 118.68 113.89 1wh4 s LEU 21 Ca 0.03 2.28 -0.15 0.00 -1.03 0.00 0.00 54.13 55.26 1wh4 s LEU 21 Cb 0.08 -3.60 0.05 0.00 0.03 0.00 0.00 46.19 42.75 1wh4 s LEU 21 CO 0.64 -0.51 1.23 0.21 0.23 0.00 0.00 176.35 178.15 1wh4 s ASN 22 N 0.57 3.99 0.36 2.29 2.47 -1.26 -4.71 114.94 118.66 1wh4 s ASN 22 Ca 0.58 2.43 0.10 0.00 0.42 0.00 0.00 52.86 56.40 1wh4 s ASN 22 Cb -0.34 -2.60 0.87 0.00 -1.45 0.00 0.00 41.25 37.73 1wh4 s ASN 22 CO 0.35 -2.40 1.86 1.62 -3.72 0.00 0.00 177.10 174.80 1wh4 h VAL 23 N -0.39 0.79 -0.59 -5.21 3.04 -1.97 0.44 116.25 112.37 1wh4 h VAL 23 Ca -0.48 -0.22 -0.02 0.00 -1.01 0.00 0.00 66.70 64.97 1wh4 h VAL 23 Cb 1.31 0.10 -0.03 0.00 -2.01 0.00 0.00 31.29 30.66 1wh4 h VAL 23 CO 0.49 0.12 0.28 1.23 -1.01 0.00 0.00 177.57 178.67 1wh4 h GLY 24 N 0.64 0.89 1.13 3.17 0.00 -1.98 0.17 103.07 107.08 1wh4 h GLY 24 Ca 0.46 -0.42 -0.21 0.00 0.00 0.00 0.00 47.33 47.17 1wh4 h GLY 24 CO -0.21 0.40 -0.70 -2.22 0.00 0.00 0.00 176.54 173.80 1wh4 h ILE 25 N 0.83 1.29 -0.92 2.60 1.08 -1.29 -0.93 117.51 120.17 1wh4 h ILE 25 Ca 0.21 -1.91 -0.00 0.00 -0.39 0.00 0.00 64.86 62.76 1wh4 h ILE 25 Cb 0.09 1.96 -0.04 0.00 -3.07 0.00 0.00 36.82 35.76 1wh4 h ILE 25 CO -0.03 0.60 0.57 -0.07 -0.69 0.00 0.00 178.15 178.54 1wh4 h LEU 26 N 0.50 1.10 -0.41 1.44 3.38 -0.89 -0.81 115.31 119.62 1wh4 h LEU 26 Ca -0.04 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 1wh4 h LEU 26 Cb 1.33 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.79 1wh4 h LEU 26 CO 0.15 0.83 0.05 0.03 0.09 0.00 0.00 178.44 179.59 1wh4 h ARG 27 N 1.27 0.69 0.01 1.13 3.08 -0.56 -0.09 114.38 119.91 1wh4 h ARG 27 Ca 0.33 -0.19 0.02 0.00 0.07 0.00 0.00 59.98 60.21 1wh4 h ARG 27 Cb -0.07 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 29.88 1wh4 h ARG 27 CO -0.06 0.74 -0.11 0.87 -1.07 0.00 0.00 179.97 180.33 1wh4 h LYS 28 N 0.53 -0.19 -0.59 0.04 1.79 -0.87 -0.22 116.57 117.07 1wh4 h LYS 28 Ca 0.12 0.01 0.08 0.00 -2.18 0.00 0.00 60.65 58.69 1wh4 h LYS 28 Cb 0.40 0.04 -0.06 0.00 -1.58 0.00 0.00 32.23 31.03 1wh4 h LYS 28 CO 0.01 -0.13 0.24 -0.07 -1.08 0.00 0.00 179.45 178.43 1wh4 h LEU 29 N -0.20 0.28 -1.61 2.94 -0.00 -1.11 -1.24 115.31 114.37 1wh4 h LEU 29 Ca 0.04 0.06 0.09 0.00 -0.00 0.00 0.00 57.88 58.07 1wh4 h LEU 29 Cb 0.24 0.03 -0.04 0.00 -0.00 0.00 0.00 40.66 40.89 1wh4 h LEU 29 CO -0.11 0.17 0.40 0.28 -0.00 0.00 0.00 178.44 179.19 1wh4 h SER 30 N 0.44 0.40 0.00 -0.43 0.02 -0.34 -0.73 113.55 112.92 1wh4 h SER 30 Ca 0.29 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.24 1wh4 h SER 30 Cb 0.31 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 62.77 1wh4 h SER 30 CO -0.26 0.25 -0.00 -0.78 -1.14 0.00 0.00 176.83 174.89 1wh4 h ASP 31 N 0.45 0.00 0.00 3.07 3.58 0.21 -0.51 116.42 123.21 1wh4 h ASP 31 Ca 0.27 0.00 -0.12 0.00 0.42 0.00 0.00 57.03 57.61 1wh4 h ASP 31 Cb 0.48 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.51 1wh4 h ASP 31 CO -0.08 0.00 -1.72 0.49 -2.88 0.00 0.00 179.24 175.05 1wh4 n PHE 32 N -4.25 0.00 -0.05 0.28 3.72 -0.73 -4.64 117.46 111.79 1wh4 n PHE 32 Ca -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 1wh4 n PHE 32 Cb 0.09 -0.46 -0.16 0.00 -0.94 0.00 0.00 39.48 38.01 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 -2.22 0.69 0.20 4.37 2.08 -0.36 -4.32 119.36 119.81 1wh4 n ILE 33 Ca -0.12 -0.65 -0.15 0.00 0.56 0.00 0.00 62.75 62.39 1wh4 n ILE 33 Cb 0.63 -0.24 -0.08 0.00 -0.75 0.00 0.00 39.64 39.20 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 -0.41 -3.36 4.38 3.58 -1.30 0.81 116.42 120.12 1wh4 h ASP 34 Ca -0.27 -0.06 -0.41 0.00 0.42 0.00 0.00 57.03 56.71 1wh4 h ASP 34 Cb 1.60 0.11 0.20 0.00 1.72 0.00 0.00 39.33 42.95 1wh4 h ASP 34 CO 0.01 -0.20 0.05 -2.16 -2.88 0.00 0.00 179.24 174.07 1wh4 s PRO 35 N -5.61 -1.65 -0.69 0.28 0.04 -1.26 -3.94 135.00 122.17 1wh4 s PRO 35 Ca -0.15 0.09 0.00 0.00 0.04 0.00 0.00 61.00 60.97 1wh4 s PRO 35 Cb 0.04 -1.53 0.00 0.00 0.04 0.00 0.00 34.50 33.04 1wh4 s PRO 35 CO 0.61 -4.03 0.00 0.00 0.04 0.00 0.00 177.00 173.62 1wh4 n GLN 36 N -5.01 -1.46 -4.39 4.56 10.64 -1.26 -1.64 117.38 118.81 1wh4 n GLN 36 Ca 0.12 0.45 -0.41 0.00 -1.83 0.00 0.00 57.00 55.34 1wh4 n GLN 36 Cb 0.59 -4.38 -0.08 0.00 -0.86 0.00 0.00 30.24 25.51 1wh4 n GLN 36 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 1wh4 n GLU 37 N -0.97 -0.73 -0.23 2.61 1.02 -1.25 -4.85 120.64 116.24 1wh4 n GLU 37 Ca -0.06 0.13 0.11 0.00 -0.02 0.00 0.00 57.16 57.32 1wh4 n GLU 37 Cb 0.28 -4.46 0.40 0.00 -0.02 0.00 0.00 31.44 27.64 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 -0.85 1.05 0.94 0.62 0.00 -0.90 -0.76 103.07 103.17 1wh4 h GLY 38 Ca -0.57 -0.28 0.01 0.00 0.00 0.00 0.00 47.33 46.49 1wh4 h GLY 38 CO 0.85 0.11 0.19 0.11 0.00 0.00 0.00 176.54 177.80 1wh4 h TRP 39 N 0.65 0.36 -0.41 5.60 5.08 -1.10 -0.28 115.95 125.85 1wh4 h TRP 39 Ca 0.40 0.01 -0.06 0.00 1.08 0.00 0.00 58.89 60.33 1wh4 h TRP 39 Cb 0.65 -0.12 -0.02 0.00 -3.00 0.00 0.00 29.16 26.67 1wh4 h TRP 39 CO -0.00 0.21 0.01 -0.22 -1.28 0.00 0.00 178.44 177.16 1wh4 h LYS 40 N 0.39 0.65 -0.04 0.12 3.64 -1.44 0.11 116.57 120.00 1wh4 h LYS 40 Ca 0.13 -0.15 -0.07 0.00 -1.27 0.00 0.00 60.65 59.29 1wh4 h LYS 40 Cb -0.01 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 1wh4 h LYS 40 CO -0.05 0.66 -0.24 0.87 -2.27 0.00 0.00 179.45 178.41 1wh4 h LYS 41 N 0.61 0.23 0.11 1.90 1.57 -1.17 -2.35 116.57 117.47 1wh4 h LYS 41 Ca 0.13 -0.20 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1wh4 h LYS 41 Cb 0.37 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.72 1wh4 h LYS 41 CO 0.01 0.86 -0.06 1.25 -0.57 0.00 0.00 179.45 180.95 1wh4 h LEU 42 N -0.34 -0.14 -0.04 2.94 7.12 -0.73 -0.73 115.31 123.38 1wh4 h LEU 42 Ca -0.02 0.01 0.02 0.00 0.13 0.00 0.00 57.88 58.02 1wh4 h LEU 42 Cb 0.92 0.04 -0.06 0.00 -0.53 0.00 0.00 40.66 41.03 1wh4 h LEU 42 CO 0.05 -0.10 -0.53 0.00 -0.13 0.00 0.00 178.44 177.73 1wh4 h ALA 43 N 0.74 -0.93 0.00 1.25 0.00 -0.86 -1.67 119.26 117.80 1wh4 h ALA 43 Ca -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1wh4 h ALA 43 Cb 0.12 0.97 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1wh4 h ALA 43 CO 0.02 -1.10 0.00 -0.24 0.00 0.00 0.00 179.25 177.93 1wh4 h VAL 44 N -0.63 0.00 -0.16 0.00 3.04 -1.33 -1.89 116.25 115.28 1wh4 h VAL 44 Ca 0.02 -0.35 -0.21 0.00 -1.01 0.00 0.00 66.70 65.15 1wh4 h VAL 44 Cb 0.70 1.19 0.01 0.00 -2.01 0.00 0.00 31.29 31.17 1wh4 h VAL 44 CO -0.38 0.00 -0.73 0.00 -1.01 0.00 0.00 177.57 175.45 1wh4 h ALA 45 N 2.18 0.40 -1.99 3.17 0.00 -0.45 -3.43 119.26 119.13 1wh4 h ALA 45 Ca 0.00 -0.59 -0.57 0.00 0.00 0.00 0.00 54.91 53.75 1wh4 h ALA 45 Cb 0.44 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1wh4 h ALA 45 CO 0.00 0.70 1.25 0.42 0.00 0.00 0.00 179.25 181.61 1wh4 s ILE 46 N -3.79 3.46 0.36 0.00 1.01 -0.69 -5.00 121.20 116.55 1wh4 s ILE 46 Ca -0.09 0.50 0.07 0.00 0.00 0.00 0.00 60.65 61.13 1wh4 s ILE 46 Cb 0.09 -3.53 -0.02 0.00 0.01 0.00 0.00 42.46 39.01 1wh4 s ILE 46 CO 0.89 -0.28 0.37 -0.54 0.00 0.00 0.00 174.94 175.38 1wh4 s LYS 47 N 5.28 2.77 0.86 2.79 3.01 -1.26 -3.08 119.74 130.10 1wh4 s LYS 47 Ca 0.80 -1.29 -0.12 0.00 -1.01 0.00 0.00 55.97 54.36 1wh4 s LYS 47 Cb -0.26 -2.55 0.11 0.00 -1.01 0.00 0.00 37.83 34.12 1wh4 s LYS 47 CO 0.33 -0.01 1.09 0.15 0.51 0.00 0.00 175.35 177.42 1wh4 s LYS 48 N -4.09 1.54 0.48 1.68 1.02 0.98 -4.75 119.74 116.60 1wh4 s LYS 48 Ca 0.45 0.74 0.24 0.00 0.02 0.00 0.00 55.97 57.42 1wh4 s LYS 48 Cb -0.06 -1.85 1.28 0.00 -0.52 0.00 0.00 37.83 36.68 1wh4 s LYS 48 CO 0.28 -2.02 1.87 -1.35 -0.92 0.00 0.00 175.35 173.21 1wh4 h PRO 49 N -1.39 0.20 -0.02 -1.68 0.11 -2.01 -1.28 132.00 125.94 1wh4 h PRO 49 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1wh4 h PRO 49 Cb 1.28 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1wh4 h PRO 49 CO 0.56 0.13 -0.26 0.43 -0.21 0.00 0.00 178.00 178.65 1wh4 n SER 50 N -4.40 2.23 0.00 -2.05 7.64 -1.26 -4.99 113.62 110.79 1wh4 n SER 50 Ca 0.19 -1.61 0.00 0.00 1.01 0.00 0.00 58.87 58.46 1wh4 n SER 50 Cb 0.84 0.30 0.00 0.00 -1.01 0.00 0.00 64.21 64.33 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 1.28 1.00 3.73 0.23 0.00 -0.48 -5.11 105.19 105.84 1wh4 n GLY 51 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 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 3.06 -4.61 1.61 8.00 -1.26 -4.63 116.55 118.72 1wh4 n ASP 52 Ca 0.00 1.15 -0.43 0.00 0.71 0.00 0.00 54.79 56.22 1wh4 n ASP 52 Cb 0.00 -1.55 -0.03 0.00 -0.02 0.00 0.00 41.12 39.52 1wh4 n ASP 52 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1wh4 s ASP 53 N -0.40 6.07 0.51 -2.24 1.01 -1.26 -0.01 116.67 120.35 1wh4 s ASP 53 Ca 0.59 1.39 0.25 0.00 0.71 0.00 0.00 52.55 55.49 1wh4 s ASP 53 Cb -0.49 -2.53 1.39 0.00 1.01 0.00 0.00 42.92 42.30 1wh4 s ASP 53 CO 0.60 -1.55 2.07 0.03 0.21 0.00 0.00 175.17 176.53 1wh4 h ARG 54 N 12.07 0.00 -2.54 8.23 3.08 -1.84 -3.36 114.38 130.01 1wh4 h ARG 54 Ca -0.34 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.12 1wh4 h ARG 54 Cb 1.16 0.00 -0.39 0.00 0.08 0.00 0.00 29.97 30.82 1wh4 h ARG 54 CO 1.02 0.12 -0.88 0.71 -1.07 0.00 0.00 179.97 179.88 1wh4 s TYR 55 N -4.31 1.59 1.08 3.04 2.02 -1.26 -5.02 117.35 114.48 1wh4 s TYR 55 Ca -0.03 -2.49 -0.13 0.00 -0.37 0.00 0.00 57.07 54.05 1wh4 s TYR 55 Cb 0.14 -1.31 0.21 0.00 -0.40 0.00 0.00 41.96 40.60 1wh4 s TYR 55 CO 0.60 -0.77 0.90 0.09 -1.57 0.00 0.00 175.55 174.80 1wh4 n ASN 56 N 2.77 -1.23 0.28 2.29 4.13 -1.26 -4.68 115.26 117.56 1wh4 n ASN 56 Ca 0.26 0.05 0.15 0.00 1.68 0.00 0.00 54.58 56.72 1wh4 n ASN 56 Cb 0.44 -1.29 0.80 0.00 -1.54 0.00 0.00 39.78 38.19 1wh4 n ASN 56 CO 0.00 0.00 0.00 1.56 0.28 0.00 0.00 177.26 179.10 1wh4 h GLN 57 N -2.31 0.00 -0.79 3.52 4.20 -1.99 0.96 115.11 118.70 1wh4 h GLN 57 Ca -0.54 0.00 0.23 0.00 0.06 0.00 0.00 58.65 58.40 1wh4 h GLN 57 Cb 1.31 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 29.06 1wh4 h GLN 57 CO 0.44 0.08 0.59 0.35 -0.67 0.00 0.00 178.83 179.63 1wh4 h PHE 58 N 0.00 0.00 0.04 2.96 3.57 -2.00 0.81 116.94 122.32 1wh4 h PHE 58 Ca -0.00 0.00 -0.38 0.00 3.53 0.00 0.00 57.97 61.12 1wh4 h PHE 58 Cb 0.31 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.00 1wh4 h PHE 58 CO 0.00 0.00 -2.24 0.72 -2.23 0.00 0.00 178.31 174.56 1wh4 n HIS 59 N -4.21 0.48 -0.11 0.41 8.25 0.26 -4.03 115.22 116.27 1wh4 n HIS 59 Ca 0.16 0.12 -0.05 0.00 -0.26 0.00 0.00 57.72 57.69 1wh4 n HIS 59 Cb 0.88 -1.06 0.02 0.00 1.12 0.00 0.00 29.99 30.95 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 -0.20 0.73 -0.46 1.59 1.08 -0.68 0.25 117.51 119.81 1wh4 h ILE 60 Ca -0.53 -0.04 -0.03 0.00 -0.39 0.00 0.00 64.86 63.87 1wh4 h ILE 60 Cb 1.85 0.60 -0.02 0.00 -3.07 0.00 0.00 36.82 36.18 1wh4 h ILE 60 CO -0.09 0.02 0.17 0.03 -0.69 0.00 0.00 178.15 177.59 1wh4 h ARG 61 N 0.12 0.65 0.29 2.37 2.47 -1.09 0.19 114.38 119.38 1wh4 h ARG 61 Ca 0.18 -0.09 -0.01 0.00 -1.26 0.00 0.00 59.98 58.80 1wh4 h ARG 61 Cb 0.25 -0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 28.45 1wh4 h ARG 61 CO -0.30 0.55 -0.19 -0.09 0.56 0.00 0.00 179.97 180.50 1wh4 h ARG 62 N 0.65 -0.45 -0.86 0.04 2.43 -1.39 -2.70 114.38 112.10 1wh4 h ARG 62 Ca 0.16 0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.33 1wh4 h ARG 62 Cb 0.14 0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.76 1wh4 h ARG 62 CO -0.01 -0.30 0.42 0.74 -1.51 0.00 0.00 179.97 179.31 1wh4 h PHE 63 N -0.47 1.22 -0.94 2.20 0.04 -0.29 -2.17 116.94 116.53 1wh4 h PHE 63 Ca -0.03 -0.05 0.17 0.00 2.80 0.00 0.00 57.97 60.86 1wh4 h PHE 63 Cb 0.39 -0.38 -0.10 0.00 2.20 0.00 0.00 35.95 38.06 1wh4 h PHE 63 CO -0.10 0.87 0.53 0.93 -0.60 0.00 0.00 178.31 179.94 1wh4 h GLU 64 N 1.21 0.67 0.00 1.51 5.08 -0.57 0.31 114.58 122.80 1wh4 h GLU 64 Ca 0.30 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 1wh4 h GLU 64 Cb 0.10 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1wh4 h GLU 64 CO -0.04 0.44 0.10 0.00 -1.00 0.00 0.00 179.01 178.51 1wh4 n ALA 65 N -2.38 0.90 -0.06 3.43 0.00 -0.82 -1.15 120.51 120.44 1wh4 n ALA 65 Ca 0.21 0.16 -0.04 0.00 0.00 0.00 0.00 53.44 53.77 1wh4 n ALA 65 Cb 0.52 -1.12 -0.03 0.00 0.00 0.00 0.00 19.45 18.83 1wh4 n ALA 65 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1wh4 h LEU 66 N 0.00 0.00 -2.04 0.00 3.38 -1.04 -3.35 115.31 112.26 1wh4 h LEU 66 Ca 0.00 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 1wh4 h LEU 66 Cb 0.19 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 1wh4 h LEU 66 CO 0.00 0.66 -0.04 0.17 0.09 0.00 0.00 178.44 179.32 1wh4 h LEU 67 N -1.00 0.00 -1.75 1.67 8.10 -1.02 -0.57 115.31 120.73 1wh4 h LEU 67 Ca -0.02 0.00 -0.03 0.00 0.11 0.00 0.00 57.88 57.94 1wh4 h LEU 67 Cb 0.30 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.51 1wh4 h LEU 67 CO -0.01 0.04 -0.15 1.56 -4.11 0.00 0.00 178.44 175.77 1wh4 h GLN 68 N 0.00 0.00 0.00 0.17 1.08 -1.30 -3.27 115.11 111.79 1wh4 h GLN 68 Ca -0.00 0.00 -0.22 0.00 -1.45 0.00 0.00 58.65 56.98 1wh4 h GLN 68 Cb 0.09 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.47 1wh4 h GLN 68 CO 0.01 0.15 -1.86 0.25 -0.95 0.00 0.00 178.83 176.43 1wh4 n THR 69 N -3.66 0.83 0.00 -0.54 -2.24 -0.41 -5.03 114.28 103.23 1wh4 n THR 69 Ca -0.02 -0.53 0.00 0.00 -2.27 0.00 0.00 64.05 61.24 1wh4 n THR 69 Cb 0.27 -0.62 0.00 0.00 -2.10 0.00 0.00 70.33 67.88 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 2.20 1.14 3.72 3.38 0.00 -0.36 -5.12 105.19 110.15 1wh4 n GLY 70 Ca -0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 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 4.13 -0.01 1.61 -0.14 -0.86 -4.91 119.74 119.55 1wh4 s LYS 71 Ca 0.00 2.60 -0.30 0.00 -1.36 0.00 0.00 55.97 56.91 1wh4 s LYS 71 Cb 0.00 -3.07 -0.08 0.00 -1.68 0.00 0.00 37.83 33.00 1wh4 s LYS 71 CO 0.00 -0.74 1.98 -1.12 -0.76 0.00 0.00 175.35 174.72 1wh4 s SER 72 N 1.10 6.31 0.35 2.83 0.01 -1.26 -2.59 113.70 120.44 1wh4 s SER 72 Ca 0.73 2.51 0.09 0.00 1.31 0.00 0.00 55.95 60.59 1wh4 s SER 72 Cb -0.49 -2.53 0.66 0.00 0.21 0.00 0.00 66.02 63.87 1wh4 s SER 72 CO 0.34 -1.19 1.83 1.55 0.41 0.00 0.00 173.24 176.18 1wh4 h PRO 73 N 11.22 0.22 -0.24 12.44 0.13 -1.88 -3.11 132.00 150.78 1wh4 h PRO 73 Ca -0.47 -0.07 0.06 0.00 -0.87 0.00 0.00 66.00 64.65 1wh4 h PRO 73 Cb 1.23 -0.02 -0.06 0.00 0.13 0.00 0.00 31.00 32.28 1wh4 h PRO 73 CO 0.95 0.46 -0.16 1.15 -0.23 0.00 0.00 178.00 180.16 1wh4 h THR 74 N 0.20 0.54 0.42 1.56 2.02 -1.90 0.15 112.91 115.89 1wh4 h THR 74 Ca 0.03 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.21 1wh4 h THR 74 Cb 0.55 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 67.48 1wh4 h THR 74 CO 0.04 0.00 -0.36 0.00 0.37 0.00 0.00 175.52 175.57 1wh4 h GLU 76 N -0.78 1.03 0.37 0.00 4.39 -1.44 -0.20 114.58 117.95 1wh4 h GLU 76 Ca -0.04 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.58 1wh4 h GLU 76 Cb 0.68 -0.23 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 1wh4 h GLU 76 CO -0.03 0.68 -0.18 1.25 -1.16 0.00 0.00 179.01 179.58 1wh4 h LEU 77 N 1.06 -0.42 -1.15 1.33 5.85 -0.63 -1.55 115.31 119.80 1wh4 h LEU 77 Ca 0.33 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.96 1wh4 h LEU 77 Cb -0.01 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 1wh4 h LEU 77 CO -0.11 -0.18 0.37 -0.07 -0.34 0.00 0.00 178.44 178.12 1wh4 h LEU 78 N -0.65 0.86 0.34 2.25 3.38 -1.03 0.05 115.31 120.51 1wh4 h LEU 78 Ca -0.05 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 1wh4 h LEU 78 Cb 0.47 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1wh4 h LEU 78 CO 0.08 0.70 -0.16 0.15 0.09 0.00 0.00 178.44 179.29 1wh4 h PHE 79 N 0.97 -0.43 -0.56 1.13 3.04 -0.92 -0.17 116.94 120.00 1wh4 h PHE 79 Ca 0.24 -0.01 0.01 0.00 3.98 0.00 0.00 57.97 62.19 1wh4 h PHE 79 Cb 0.03 0.14 -0.03 0.00 2.56 0.00 0.00 35.95 38.66 1wh4 h PHE 79 CO 0.01 -0.12 0.37 0.22 -2.02 0.00 0.00 178.31 176.77 1wh4 h ASP 80 N -0.73 0.64 0.15 0.41 1.82 -1.23 -1.11 116.42 116.37 1wh4 h ASP 80 Ca -0.05 -0.02 -0.05 0.00 -0.39 0.00 0.00 57.03 56.53 1wh4 h ASP 80 Cb 0.50 -0.16 -0.01 0.00 0.68 0.00 0.00 39.33 40.34 1wh4 h ASP 80 CO 0.08 0.46 -0.19 -0.25 -1.61 0.00 0.00 179.24 177.73 1wh4 h TRP 81 N 0.76 0.10 0.07 0.28 7.01 -0.98 -1.56 115.95 121.63 1wh4 h TRP 81 Ca 0.21 -0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.21 1wh4 h TRP 81 Cb -0.08 -0.03 -0.02 0.00 -2.10 0.00 0.00 29.16 26.94 1wh4 h TRP 81 CO -0.04 0.29 -0.11 0.78 -2.79 0.00 0.00 178.44 176.57 1wh4 h GLY 82 N 0.71 -0.20 1.39 2.65 0.00 0.16 -1.85 103.07 105.93 1wh4 h GLY 82 Ca 0.02 0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.48 1wh4 h GLY 82 CO 0.03 -0.12 0.00 -0.37 0.00 0.00 0.00 176.54 176.08 1wh4 n THR 83 N -5.24 0.50 0.24 4.70 5.66 -0.59 -1.49 114.28 118.07 1wh4 n THR 83 Ca -0.07 0.13 0.11 0.00 -3.05 0.00 0.00 64.05 61.17 1wh4 n THR 83 Cb 0.16 -0.95 0.21 0.00 -1.55 0.00 0.00 70.33 68.20 1wh4 n THR 83 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 1wh4 n THR 84 N -1.19 0.54 -2.65 1.09 -1.04 -0.67 -5.00 114.28 105.35 1wh4 n THR 84 Ca 0.06 -0.77 -0.08 0.00 -2.04 0.00 0.00 64.05 61.22 1wh4 n THR 84 Cb 0.07 0.95 0.04 0.00 -1.82 0.00 0.00 70.33 69.57 1wh4 n THR 84 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1wh4 n ASN 85 N 1.46 -5.30 -4.34 8.00 4.13 -0.55 -5.06 115.26 113.60 1wh4 n ASN 85 Ca 0.19 -0.39 -0.17 0.00 1.68 0.00 0.00 54.58 55.89 1wh4 n ASN 85 Cb 0.60 -3.73 -0.10 0.00 -1.54 0.00 0.00 39.78 35.01 1wh4 n ASN 85 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1wh4 s THR 87 N -3.65 1.09 0.31 0.00 -4.23 -1.26 -3.04 115.64 104.86 1wh4 s THR 87 Ca 0.36 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.94 1wh4 s THR 87 Cb 0.08 -2.76 0.31 0.00 1.34 0.00 0.00 72.50 71.46 1wh4 s THR 87 CO 0.13 -0.01 1.79 0.58 -0.54 0.00 0.00 174.62 176.57 1wh4 h VAL 88 N 2.16 0.73 -0.24 2.29 2.07 -0.76 0.26 116.25 122.77 1wh4 h VAL 88 Ca -0.40 -0.26 -0.18 0.00 0.82 0.00 0.00 66.70 66.68 1wh4 h VAL 88 Cb 1.24 -0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.92 1wh4 h VAL 88 CO 0.68 0.14 -0.55 1.23 0.02 0.00 0.00 177.57 179.09 1wh4 h GLY 89 N 0.75 0.80 0.96 2.17 0.00 -1.18 0.12 103.07 106.69 1wh4 h GLY 89 Ca 0.56 -0.94 -0.00 0.00 0.00 0.00 0.00 47.33 46.95 1wh4 h GLY 89 CO -0.35 0.84 0.09 -1.80 0.00 0.00 0.00 176.54 175.32 1wh4 h ASP 90 N 0.56 0.18 0.36 0.19 3.58 -1.50 -1.11 116.42 118.67 1wh4 h ASP 90 Ca 0.01 -0.06 -0.00 0.00 0.42 0.00 0.00 57.03 57.40 1wh4 h ASP 90 Cb 1.13 -0.04 -0.03 0.00 1.72 0.00 0.00 39.33 42.11 1wh4 h ASP 90 CO 0.11 0.18 -0.45 0.25 -2.88 0.00 0.00 179.24 176.46 1wh4 h LEU 91 N 0.15 -1.26 -0.55 2.28 5.85 -0.83 -1.26 115.31 119.70 1wh4 h LEU 91 Ca 0.05 0.11 0.11 0.00 0.84 0.00 0.00 57.88 59.00 1wh4 h LEU 91 Cb 0.04 0.43 -0.11 0.00 0.37 0.00 0.00 40.66 41.40 1wh4 h LEU 91 CO -0.01 -0.58 -0.15 0.58 -0.34 0.00 0.00 178.44 177.94 1wh4 h VAL 92 N -0.85 0.42 -0.01 1.05 2.07 -0.92 0.12 116.25 118.13 1wh4 h VAL 92 Ca -0.03 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.50 1wh4 h VAL 92 Cb 0.77 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 1wh4 h VAL 92 CO -0.12 0.00 -0.04 0.44 0.02 0.00 0.00 177.57 177.87 1wh4 h ASP 93 N -0.02 -0.12 -0.51 0.57 5.19 -0.63 0.88 116.42 121.79 1wh4 h ASP 93 Ca 0.27 0.02 -0.03 0.00 -0.62 0.00 0.00 57.03 56.67 1wh4 h ASP 93 Cb 0.42 0.05 -0.02 0.00 0.18 0.00 0.00 39.33 39.96 1wh4 h ASP 93 CO -0.58 -0.06 0.20 -0.07 -3.12 0.00 0.00 179.24 175.61 1wh4 h LEU 94 N -0.06 0.70 -0.42 1.55 3.38 -0.96 -1.78 115.31 117.72 1wh4 h LEU 94 Ca 0.02 -0.17 0.05 0.00 0.09 0.00 0.00 57.88 57.88 1wh4 h LEU 94 Cb 0.09 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.61 1wh4 h LEU 94 CO -0.05 0.68 0.14 -0.07 0.09 0.00 0.00 178.44 179.22 1wh4 h LEU 95 N 0.68 0.13 -1.48 1.67 3.38 -0.29 -1.36 115.31 118.04 1wh4 h LEU 95 Ca 0.17 0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.15 1wh4 h LEU 95 Cb 0.20 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1wh4 h LEU 95 CO -0.01 0.11 -0.09 0.58 0.09 0.00 0.00 178.44 179.12 1wh4 h VAL 96 N 0.29 1.15 -0.41 1.22 2.07 -0.55 0.18 116.25 120.21 1wh4 h VAL 96 Ca 0.20 -0.66 -0.05 0.00 0.82 0.00 0.00 66.70 67.00 1wh4 h VAL 96 Cb 0.19 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 1wh4 h VAL 96 CO -0.21 0.21 0.05 -0.61 0.02 0.00 0.00 177.57 177.03 1wh4 h GLN 97 N 0.22 0.69 -0.17 1.57 4.15 -0.39 -2.38 115.11 118.79 1wh4 h GLN 97 Ca 0.05 -0.19 0.00 0.00 0.77 0.00 0.00 58.65 59.28 1wh4 h GLN 97 Cb 0.30 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 27.92 1wh4 h GLN 97 CO 0.02 0.74 0.00 0.44 -1.93 0.00 0.00 178.83 178.10 1wh4 n ILE 98 N -4.49 0.10 -1.43 2.39 -5.35 -0.73 -4.87 119.36 104.98 1wh4 n ILE 98 Ca -0.00 -0.09 -0.15 0.00 -0.27 0.00 0.00 62.75 62.24 1wh4 n ILE 98 Cb 0.25 -0.02 -0.06 0.00 -1.74 0.00 0.00 39.64 38.07 1wh4 n ILE 98 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1wh4 n GLU 99 N -0.27 -1.08 -1.69 6.28 1.02 -0.90 -4.92 120.64 119.09 1wh4 n GLU 99 Ca 0.02 1.01 -0.39 0.00 -0.02 0.00 0.00 57.16 57.79 1wh4 n GLU 99 Cb 0.09 -5.16 -0.02 0.00 -0.02 0.00 0.00 31.44 26.33 1wh4 n GLU 99 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1wh4 n LEU 100 N -1.67 8.23 0.12 -4.62 7.99 0.61 -4.68 117.00 122.99 1wh4 n LEU 100 Ca -0.15 -4.62 0.02 0.00 -0.01 0.00 0.00 56.01 51.26 1wh4 n LEU 100 Cb 0.50 -1.44 0.39 0.00 -0.11 0.00 0.00 43.42 42.76 1wh4 n LEU 100 CO 0.22 2.05 0.88 -0.26 -1.51 0.00 0.00 177.39 178.78 1wh4 h PHE 101 N 4.66 0.23 0.38 -1.77 0.04 -1.89 -2.95 116.94 115.64 1wh4 h PHE 101 Ca 0.75 -0.03 -0.01 0.00 2.80 0.00 0.00 57.97 61.48 1wh4 h PHE 101 Cb 0.33 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.41 1wh4 h PHE 101 CO 1.72 0.36 -0.35 0.00 -0.60 0.00 0.00 178.31 179.45 1wh4 h ALA 102 N 1.65 -1.05 -0.42 2.45 0.00 -1.96 0.95 119.26 120.88 1wh4 h ALA 102 Ca 0.04 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 1wh4 h ALA 102 Cb 0.39 0.56 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1wh4 h ALA 102 CO 0.02 -1.06 0.06 -1.00 0.00 0.00 0.00 179.25 177.27 1wh4 h PRO 103 N -0.71 0.65 -0.25 0.00 0.13 -1.95 -2.21 132.00 127.66 1wh4 h PRO 103 Ca -0.05 -0.13 0.05 0.00 -0.87 0.00 0.00 66.00 65.00 1wh4 h PRO 103 Cb 0.61 -0.10 -0.05 0.00 0.13 0.00 0.00 31.00 31.59 1wh4 h PRO 103 CO -0.03 0.63 -0.07 0.00 -0.23 0.00 0.00 178.00 178.30 1wh4 h ALA 104 N 1.44 0.16 -0.39 -0.56 0.00 -1.40 -2.69 119.26 115.83 1wh4 h ALA 104 Ca 0.14 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 1wh4 h ALA 104 Cb 0.30 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1wh4 h ALA 104 CO 0.00 -0.48 -0.01 1.15 0.00 0.00 0.00 179.25 179.92 1wh4 h THR 105 N -0.01 1.22 -0.64 0.00 2.02 -0.32 0.11 112.91 115.28 1wh4 h THR 105 Ca 0.12 -0.89 -0.03 0.00 0.77 0.00 0.00 66.41 66.38 1wh4 h THR 105 Cb 0.20 0.94 -0.03 0.00 -1.74 0.00 0.00 68.15 67.52 1wh4 h THR 105 CO -0.27 0.31 0.29 0.25 0.37 0.00 0.00 175.52 176.47 1wh4 h LEU 106 N 0.59 0.86 0.10 2.58 5.85 -1.09 -1.63 115.31 122.57 1wh4 h LEU 106 Ca 0.12 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 1wh4 h LEU 106 Cb 0.39 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.20 1wh4 h LEU 106 CO 0.02 0.77 -0.05 -0.07 -0.34 0.00 0.00 178.44 178.77 1wh4 h LEU 107 N 0.89 -0.12 -6.55 2.25 3.38 -1.21 -3.44 115.31 110.51 1wh4 h LEU 107 Ca 0.22 -0.44 -0.43 0.00 0.09 0.00 0.00 57.88 57.32 1wh4 h LEU 107 Cb 0.15 0.03 -0.35 0.00 0.09 0.00 0.00 40.66 40.58 1wh4 h LEU 107 CO -0.02 0.43 -0.72 -0.76 0.09 0.00 0.00 178.44 177.45 1wh4 s LEU 108 N -9.06 0.21 0.24 1.67 1.43 0.33 -4.29 118.68 109.21 1wh4 s LEU 108 Ca -0.14 -1.34 0.00 0.00 -1.03 0.00 0.00 54.13 51.62 1wh4 s LEU 108 Cb 0.01 0.15 0.28 0.00 0.03 0.00 0.00 46.19 46.66 1wh4 s LEU 108 CO 0.57 -0.36 1.63 1.55 0.23 0.00 0.00 176.35 179.98 1wh4 h PRO 109 N 7.78 0.51 0.00 1.29 0.13 -1.49 -3.08 132.00 137.15 1wh4 h PRO 109 Ca -0.07 -0.24 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1wh4 h PRO 109 Cb 1.04 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1wh4 h PRO 109 CO 0.31 0.81 -0.25 -0.25 -0.23 0.00 0.00 178.00 178.39 1wh4 n ASP 110 N -4.05 0.69 0.06 1.44 8.00 -1.26 -3.90 116.55 117.52 1wh4 n ASP 110 Ca -0.01 0.36 -0.13 0.00 0.71 0.00 0.00 54.79 55.72 1wh4 n ASP 110 Cb 0.49 -0.37 -0.09 0.00 -0.02 0.00 0.00 41.12 41.13 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 2.59 -0.17 -2.88 2.24 0.00 -1.91 -3.45 119.26 115.68 1wh4 h ALA 111 Ca 0.00 -0.20 -0.53 0.00 0.00 0.00 0.00 54.91 54.17 1wh4 h ALA 111 Cb 0.71 0.06 0.09 0.00 0.00 0.00 0.00 17.79 18.65 1wh4 h ALA 111 CO 0.00 -0.38 0.77 0.54 0.00 0.00 0.00 179.25 180.18 1wh4 s VAL 112 N -4.44 2.26 -2.00 0.00 0.11 -1.25 -4.87 120.40 110.21 1wh4 s VAL 112 Ca -0.15 0.24 0.05 0.00 -2.93 0.00 0.00 61.98 59.19 1wh4 s VAL 112 Cb 0.02 -3.16 0.13 0.00 -1.53 0.00 0.00 36.38 31.84 1wh4 s VAL 112 CO 0.60 0.05 0.64 -0.81 -3.33 0.00 0.00 175.10 172.26 1wh4 n PRO 113 N 1.08 0.31 -3.23 1.54 -0.04 -1.26 -3.21 135.00 130.20 1wh4 n PRO 113 Ca 0.03 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.25 1wh4 n PRO 113 Cb 0.39 -1.23 -0.06 0.00 -0.04 0.00 0.00 33.50 32.57 1wh4 n PRO 113 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1wh4 n GLN 114 N -0.73 1.67 -1.58 0.54 6.02 -1.26 -5.09 117.38 116.94 1wh4 n GLN 114 Ca 0.03 -3.92 -0.25 0.00 -0.01 0.00 0.00 57.00 52.85 1wh4 n GLN 114 Cb 0.02 -1.76 0.17 0.00 1.02 0.00 0.00 30.24 29.69 1wh4 n GLN 114 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 177.06 173.68 1wh4 n THR 115 N 0.81 0.00 -4.23 5.09 5.66 -1.20 -5.04 114.28 115.38 1wh4 n THR 115 Ca 0.26 -0.82 -0.15 0.00 -3.05 0.00 0.00 64.05 60.30 1wh4 n THR 115 Cb 0.50 -1.58 -0.09 0.00 -1.55 0.00 0.00 70.33 67.60 1wh4 n THR 115 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1wh4 s VAL 116 N -3.43 0.00 -0.44 1.08 0.11 -1.26 -5.11 120.40 111.35 1wh4 s VAL 116 Ca 0.63 -1.98 0.05 0.00 -2.93 0.00 0.00 61.98 57.75 1wh4 s VAL 116 Cb -0.02 -2.50 0.19 0.00 -1.53 0.00 0.00 36.38 32.52 1wh4 s VAL 116 CO 0.44 0.00 0.48 2.29 -3.33 0.00 0.00 175.10 174.99 1wh4 n LYS 117 N -0.41 0.35 -2.76 1.54 2.85 -1.26 -4.98 118.16 113.50 1wh4 n LYS 117 Ca 0.04 -2.82 -0.01 0.00 -1.05 0.00 0.00 58.31 54.47 1wh4 n LYS 117 Cb 0.64 -1.56 0.08 0.00 -0.65 0.00 0.00 35.03 33.55 1wh4 n LYS 117 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1wh4 n SER 118 N 2.67 0.21 -4.81 -5.58 7.64 -1.26 -5.12 113.62 107.37 1wh4 n SER 118 Ca 0.25 -2.14 -0.34 0.00 1.01 0.00 0.00 58.87 57.66 1wh4 n SER 118 Cb 0.51 0.04 -0.07 0.00 -1.01 0.00 0.00 64.21 63.69 1wh4 n SER 118 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 1wh4 s LEU 119 N -3.90 4.02 0.88 -3.43 0.05 -1.26 -5.12 118.68 109.92 1wh4 s LEU 119 Ca 0.19 0.23 -0.12 0.00 0.05 0.00 0.00 54.13 54.48 1wh4 s LEU 119 Cb 0.38 -2.26 0.12 0.00 -2.05 0.00 0.00 46.19 42.38 1wh4 s LEU 119 CO -0.08 0.30 1.16 -2.16 -0.55 0.00 0.00 176.35 175.03 1wh4 s PRO 120 N -1.59 1.43 0.06 1.48 0.04 -1.26 -5.02 135.00 130.15 1wh4 s PRO 120 Ca 0.22 0.18 -0.17 0.00 0.04 0.00 0.00 61.00 61.26 1wh4 s PRO 120 Cb -0.12 -1.88 -0.15 0.00 0.04 0.00 0.00 34.50 32.39 1wh4 s PRO 120 CO 0.12 -1.98 1.30 -1.00 0.04 0.00 0.00 177.00 175.48 1wh4 h PRO 121 N -1.34 0.58 -2.96 0.56 0.13 -2.08 -3.49 132.00 123.41 1wh4 h PRO 121 Ca -0.48 -0.40 0.02 0.00 -0.87 0.00 0.00 66.00 64.27 1wh4 h PRO 121 Cb 1.33 0.06 -0.02 0.00 0.13 0.00 0.00 31.00 32.50 1wh4 h PRO 121 CO 0.62 1.02 0.28 -1.12 -0.23 0.00 0.00 178.00 178.58 1wh4 s SER 122 N -6.62 -0.08 0.00 1.44 0.01 -1.26 -5.13 113.70 102.06 1wh4 s SER 122 Ca -0.13 -0.94 0.00 0.00 1.31 0.00 0.00 55.95 56.19 1wh4 s SER 122 Cb 0.07 0.79 0.00 0.00 0.21 0.00 0.00 66.02 67.09 1wh4 s SER 122 CO 0.83 -1.53 0.00 0.61 0.41 0.00 0.00 173.24 173.55 1wh4 n GLY 123 N -0.52 -0.98 3.77 3.44 0.00 -1.26 -5.15 105.19 104.50 1wh4 n GLY 123 Ca -0.07 0.60 -0.38 0.00 0.00 0.00 0.00 46.02 46.17 1wh4 n GLY 123 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wh4 s PRO 124 N 0.00 4.11 0.24 1.61 0.04 -1.26 -4.97 135.00 134.77 1wh4 s PRO 124 Ca 0.00 1.73 -0.05 0.00 0.04 0.00 0.00 61.00 62.72 1wh4 s PRO 124 Cb 0.00 -2.65 0.25 0.00 0.04 0.00 0.00 34.50 32.13 1wh4 s PRO 124 CO 0.00 -0.24 1.77 1.03 0.04 0.00 0.00 177.00 179.60 1wh4 h SER 125 N 2.64 0.95 -0.44 6.66 0.87 -2.05 -3.49 113.55 118.69 1wh4 h SER 125 Ca -0.48 -0.18 0.00 0.00 -1.23 0.00 0.00 61.79 59.89 1wh4 h SER 125 Cb 1.23 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.94 1wh4 h SER 125 CO 0.63 0.91 0.00 -1.20 -0.53 0.00 0.00 176.83 176.63 1wh4 n SER 126 N -4.25 -4.18 0.00 6.23 7.64 -1.26 -5.32 113.62 112.47 1wh4 n SER 126 Ca 0.05 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.93 1wh4 n SER 126 Cb 0.24 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.44 1wh4 n SER 126 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64