#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 4.17 0.67 1.61 0.01 -1.26 -5.09 113.70 113.81 1wh4 s SER 2 Ca 0.00 -2.53 0.05 0.00 1.31 0.00 0.00 55.95 54.78 1wh4 s SER 2 Cb 0.00 -1.35 0.12 0.00 0.21 0.00 0.00 66.02 65.01 1wh4 s SER 2 CO 0.00 -0.30 0.92 -0.24 0.41 0.00 0.00 173.24 174.03 1wh4 n SER 3 N 3.72 1.81 -3.31 2.44 2.88 -1.26 -5.15 113.62 114.75 1wh4 n SER 3 Ca 0.05 -2.39 -0.06 0.00 -1.33 0.00 0.00 58.87 55.14 1wh4 n SER 3 Cb 0.36 -0.54 0.01 0.00 -0.75 0.00 0.00 64.21 63.29 1wh4 n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wh4 s GLY 4 N -4.94 0.14 0.00 0.46 0.00 -1.26 -5.08 107.32 96.64 1wh4 s GLY 4 Ca 0.65 -0.42 0.00 0.00 0.00 0.00 0.00 44.72 44.95 1wh4 s GLY 4 CO 0.42 0.70 0.00 1.44 0.00 0.00 0.00 173.10 175.67 1wh4 n SER 5 N -1.09 0.00 -4.30 1.64 7.64 -1.26 -5.14 113.62 111.11 1wh4 n SER 5 Ca -0.06 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.67 1wh4 n SER 5 Cb 0.60 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.70 1wh4 n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wh4 s SER 6 N 0.00 1.45 0.80 6.43 0.01 -1.26 -5.15 113.70 115.97 1wh4 s SER 6 Ca 0.00 -1.26 -0.12 0.00 1.31 0.00 0.00 55.95 55.88 1wh4 s SER 6 Cb 0.00 0.09 0.08 0.00 0.21 0.00 0.00 66.02 66.40 1wh4 s SER 6 CO 0.00 -0.60 1.16 -0.83 0.41 0.00 0.00 173.24 173.38 1wh4 s GLY 7 N -3.27 1.98 0.08 3.44 0.00 -1.26 -5.06 107.32 103.23 1wh4 s GLY 7 Ca 0.30 0.64 -0.16 0.00 0.00 0.00 0.00 44.72 45.50 1wh4 s GLY 7 CO 0.09 1.04 0.39 -3.16 0.00 0.00 0.00 173.10 171.45 1wh4 s MET 8 N -4.37 0.98 0.30 2.90 0.00 -1.26 -5.09 119.30 112.77 1wh4 s MET 8 Ca 0.69 -0.56 0.00 0.00 0.00 0.00 0.00 55.69 55.82 1wh4 s MET 8 Cb -0.24 0.43 0.00 0.00 0.00 0.00 0.00 34.83 35.02 1wh4 s MET 8 CO 0.51 -0.36 0.00 -1.71 0.00 0.00 0.00 175.02 173.47 1wh4 n ASN 9 N 0.14 -4.35 -3.68 -1.18 2.85 -1.26 -5.08 115.26 102.71 1wh4 n ASN 9 Ca -0.17 0.97 -0.09 0.00 -0.11 0.00 0.00 54.58 55.17 1wh4 n ASN 9 Cb 0.62 -2.12 -0.10 0.00 1.24 0.00 0.00 39.78 39.42 1wh4 n ASN 9 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1wh4 s LYS 10 N -4.73 0.43 0.64 1.20 1.02 -1.26 -5.18 119.74 111.86 1wh4 s LYS 10 Ca 0.00 0.93 -0.11 0.00 0.02 0.00 0.00 55.97 56.81 1wh4 s LYS 10 Cb 0.00 0.11 0.15 0.00 -0.52 0.00 0.00 37.83 37.57 1wh4 s LYS 10 CO 0.00 -0.18 0.75 -0.35 -0.92 0.00 0.00 175.35 174.65 1wh4 n PRO 11 N 4.57 -1.30 -2.25 -1.68 -0.04 -1.26 -5.00 135.00 128.04 1wh4 n PRO 11 Ca -0.19 -1.17 -0.41 0.00 -0.04 0.00 0.00 63.50 61.69 1wh4 n PRO 11 Cb 0.54 -0.88 -0.03 0.00 -0.04 0.00 0.00 33.50 33.09 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 4.45 0.62 1.53 2.01 -1.26 -5.01 118.68 121.03 1wh4 s LEU 12 Ca 0.44 2.45 -0.16 0.00 0.01 0.00 0.00 54.13 56.87 1wh4 s LEU 12 Cb -0.02 -3.63 -0.02 0.00 0.01 0.00 0.00 46.19 42.53 1wh4 s LEU 12 CO 0.32 -0.43 1.12 0.42 1.01 0.00 0.00 176.35 178.79 1wh4 s THR 13 N -0.59 3.16 0.45 5.49 -4.23 -1.26 -4.84 115.64 113.83 1wh4 s THR 13 Ca 0.51 0.60 0.19 0.00 -1.18 0.00 0.00 61.69 61.81 1wh4 s THR 13 Cb -0.36 -3.14 0.23 0.00 1.34 0.00 0.00 72.50 70.56 1wh4 s THR 13 CO 0.44 -0.28 2.03 1.55 -0.54 0.00 0.00 174.62 177.82 1wh4 h PRO 14 N 0.40 0.00 0.00 3.99 0.13 -1.94 -1.29 132.00 133.29 1wh4 h PRO 14 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1wh4 h PRO 14 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1wh4 h PRO 14 CO 0.55 0.15 0.00 0.43 -0.23 0.00 0.00 178.00 178.90 1wh4 n SER 15 N -4.10 0.76 -4.72 1.44 7.64 -1.26 -0.68 113.62 112.70 1wh4 n SER 15 Ca -0.02 0.61 -0.42 0.00 1.01 0.00 0.00 58.87 60.05 1wh4 n SER 15 Cb 0.23 -0.80 -0.03 0.00 -1.01 0.00 0.00 64.21 62.60 1wh4 n SER 15 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1wh4 s THR 16 N -3.18 3.19 0.61 0.44 2.01 -0.49 -4.76 115.64 113.46 1wh4 s THR 16 Ca 0.08 0.89 -0.18 0.00 0.31 0.00 0.00 61.69 62.79 1wh4 s THR 16 Cb 0.11 -3.57 -0.03 0.00 0.01 0.00 0.00 72.50 69.03 1wh4 s THR 16 CO 0.52 0.09 1.20 -0.31 -0.69 0.00 0.00 174.62 175.43 1wh4 s TYR 17 N 0.81 2.36 0.35 4.92 1.51 -1.26 -0.51 117.35 125.54 1wh4 s TYR 17 Ca 0.63 1.53 0.04 0.00 -1.01 0.00 0.00 57.07 58.25 1wh4 s TYR 17 Cb -0.38 -3.46 0.65 0.00 -0.11 0.00 0.00 41.96 38.66 1wh4 s TYR 17 CO 0.33 -2.23 1.95 0.82 -1.11 0.00 0.00 175.55 175.31 1wh4 h ILE 18 N 0.71 1.17 0.00 2.71 1.08 -1.85 -1.47 117.51 119.85 1wh4 h ILE 18 Ca -0.50 -0.50 0.00 0.00 -0.39 0.00 0.00 64.86 63.47 1wh4 h ILE 18 Cb 1.29 0.61 0.00 0.00 -3.07 0.00 0.00 36.82 35.65 1wh4 h ILE 18 CO 0.54 0.20 0.00 -2.11 -0.69 0.00 0.00 178.15 176.09 1wh4 n ARG 19 N -4.37 0.17 -0.16 2.37 1.85 -1.26 -0.92 116.66 114.34 1wh4 n ARG 19 Ca 0.03 0.49 0.06 0.00 -1.00 0.00 0.00 57.85 57.44 1wh4 n ARG 19 Cb 0.14 -1.89 0.20 0.00 -1.05 0.00 0.00 32.46 29.86 1wh4 n ARG 19 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1wh4 n ASN 20 N -2.22 1.80 -4.74 2.89 3.02 -0.55 -4.90 115.26 110.55 1wh4 n ASN 20 Ca 0.01 -1.94 -0.41 0.00 -0.03 0.00 0.00 54.58 52.21 1wh4 n ASN 20 Cb 0.16 -0.21 -0.05 0.00 -0.61 0.00 0.00 39.78 39.08 1wh4 n ASN 20 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1wh4 s LEU 21 N -1.11 4.57 0.63 3.41 1.43 -0.10 -5.00 118.68 122.50 1wh4 s LEU 21 Ca 0.25 1.93 -0.15 0.00 -1.03 0.00 0.00 54.13 55.12 1wh4 s LEU 21 Cb 0.13 -3.60 -0.02 0.00 0.03 0.00 0.00 46.19 42.73 1wh4 s LEU 21 CO 0.18 0.01 1.09 0.21 0.23 0.00 0.00 176.35 178.07 1wh4 s ASN 22 N -0.60 5.41 0.61 2.29 3.84 -1.26 -4.87 114.94 120.36 1wh4 s ASN 22 Ca 0.44 1.94 0.30 0.00 0.21 0.00 0.00 52.86 55.75 1wh4 s ASN 22 Cb -0.26 -2.55 1.71 0.00 -0.55 0.00 0.00 41.25 39.61 1wh4 s ASN 22 CO 0.32 -1.43 2.08 -0.37 -2.79 0.00 0.00 177.10 174.92 1wh4 h VAL 23 N 0.25 0.35 0.05 -5.21 -1.51 -1.98 -0.76 116.25 107.45 1wh4 h VAL 23 Ca -0.47 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.00 1wh4 h VAL 23 Cb 1.24 0.81 -0.01 0.00 -2.13 0.00 0.00 31.29 31.20 1wh4 h VAL 23 CO 0.56 0.00 -0.10 1.23 -1.23 0.00 0.00 177.57 178.02 1wh4 h GLY 24 N 0.00 -1.06 0.77 5.19 0.00 -1.99 0.30 103.07 106.29 1wh4 h GLY 24 Ca 0.08 0.48 0.05 0.00 0.00 0.00 0.00 47.33 47.94 1wh4 h GLY 24 CO -0.00 -0.37 0.49 -2.22 0.00 0.00 0.00 176.54 174.43 1wh4 h ILE 25 N -0.17 1.06 0.33 2.60 5.03 -1.72 -0.33 117.51 124.31 1wh4 h ILE 25 Ca -0.01 -0.31 -0.02 0.00 -0.12 0.00 0.00 64.86 64.40 1wh4 h ILE 25 Cb 0.16 0.06 0.00 0.00 -3.03 0.00 0.00 36.82 34.01 1wh4 h ILE 25 CO -0.04 0.17 -0.16 -0.07 -0.68 0.00 0.00 178.15 177.37 1wh4 h LEU 26 N 0.92 -0.37 -1.26 1.44 3.38 -1.14 0.87 115.31 119.15 1wh4 h LEU 26 Ca 0.34 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.27 1wh4 h LEU 26 Cb 0.11 0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 1wh4 h LEU 26 CO -0.15 -0.23 0.26 0.03 0.09 0.00 0.00 178.44 178.44 1wh4 h ARG 27 N -0.48 0.76 -0.37 1.13 2.47 -0.49 -2.05 114.38 115.36 1wh4 h ARG 27 Ca -0.04 -0.09 -0.03 0.00 -1.26 0.00 0.00 59.98 58.56 1wh4 h ARG 27 Cb 0.37 -0.15 -0.02 0.00 -1.65 0.00 0.00 29.97 28.52 1wh4 h ARG 27 CO 0.07 0.60 0.13 0.87 0.56 0.00 0.00 179.97 182.20 1wh4 h LYS 28 N 0.76 0.56 -0.26 0.04 1.57 -0.76 -3.09 116.57 115.39 1wh4 h LYS 28 Ca 0.19 -0.11 0.05 0.00 -1.87 0.00 0.00 60.65 58.91 1wh4 h LYS 28 Cb 0.09 -0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.27 1wh4 h LYS 28 CO -0.02 0.56 -0.04 -0.07 -0.57 0.00 0.00 179.45 179.31 1wh4 h LEU 29 N 0.45 -0.19 -2.10 2.94 -0.00 -0.45 -2.86 115.31 113.10 1wh4 h LEU 29 Ca 0.12 0.07 -0.02 0.00 -0.00 0.00 0.00 57.88 58.06 1wh4 h LEU 29 Cb 0.22 0.14 -0.00 0.00 -0.00 0.00 0.00 40.66 41.02 1wh4 h LEU 29 CO -0.01 -0.06 -0.08 0.77 -0.00 0.00 0.00 178.44 179.06 1wh4 h SER 30 N 0.03 0.00 -0.20 -0.43 4.64 -1.31 -0.66 113.55 115.62 1wh4 h SER 30 Ca 0.12 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.50 1wh4 h SER 30 Cb 0.18 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.26 1wh4 h SER 30 CO -0.24 0.08 0.24 -0.78 -0.87 0.00 0.00 176.83 175.25 1wh4 h ASP 31 N 0.00 0.00 0.00 4.97 3.58 -1.45 0.22 116.42 123.74 1wh4 h ASP 31 Ca -0.00 0.00 -0.17 0.00 0.42 0.00 0.00 57.03 57.28 1wh4 h ASP 31 Cb 0.24 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.26 1wh4 h ASP 31 CO 0.01 0.00 -1.79 0.49 -2.88 0.00 0.00 179.24 175.07 1wh4 n PHE 32 N -3.72 0.00 -0.06 0.28 3.72 -0.38 -4.74 117.46 112.56 1wh4 n PHE 32 Ca 0.02 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.40 1wh4 n PHE 32 Cb 0.36 -0.53 -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 -2.33 0.85 0.34 4.37 2.08 -0.48 -4.42 119.36 119.76 1wh4 n ILE 33 Ca -0.16 -0.70 -0.16 0.00 0.56 0.00 0.00 62.75 62.30 1wh4 n ILE 33 Cb 0.76 -0.30 -0.08 0.00 -0.75 0.00 0.00 39.64 39.27 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 -0.75 -3.65 4.38 3.58 -1.21 -0.86 116.42 117.92 1wh4 h ASP 34 Ca -0.34 -0.01 -0.44 0.00 0.42 0.00 0.00 57.03 56.66 1wh4 h ASP 34 Cb 1.75 0.19 0.18 0.00 1.72 0.00 0.00 39.33 43.17 1wh4 h ASP 34 CO 0.02 -0.40 0.13 -2.16 -2.88 0.00 0.00 179.24 173.95 1wh4 s PRO 35 N -5.03 -0.13 -0.82 0.28 0.04 -1.26 -3.50 135.00 124.57 1wh4 s PRO 35 Ca -0.15 0.57 0.00 0.00 0.04 0.00 0.00 61.00 61.46 1wh4 s PRO 35 Cb 0.02 -1.67 0.00 0.00 0.04 0.00 0.00 34.50 32.89 1wh4 s PRO 35 CO 0.50 -3.12 0.00 1.04 0.04 0.00 0.00 177.00 175.46 1wh4 n GLN 36 N -4.46 -1.72 -3.39 4.56 6.02 -1.26 -2.51 117.38 114.61 1wh4 n GLN 36 Ca 0.04 0.69 -0.23 0.00 -0.01 0.00 0.00 57.00 57.49 1wh4 n GLN 36 Cb 0.57 -4.92 -0.01 0.00 1.02 0.00 0.00 30.24 26.90 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 -0.50 -3.02 -0.28 -1.09 1.02 -1.23 -4.86 120.64 110.68 1wh4 n GLU 37 Ca -0.08 0.39 0.14 0.00 -0.02 0.00 0.00 57.16 57.59 1wh4 n GLU 37 Cb 0.48 -5.06 0.39 0.00 -0.02 0.00 0.00 31.44 27.23 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 -0.84 1.26 0.90 0.62 0.00 -1.14 -0.71 103.07 103.15 1wh4 h GLY 38 Ca -0.40 -0.29 -0.03 0.00 0.00 0.00 0.00 47.33 46.60 1wh4 h GLY 38 CO 0.52 0.04 0.07 0.11 0.00 0.00 0.00 176.54 177.28 1wh4 h TRP 39 N 0.66 0.54 -0.59 5.60 5.08 -1.46 -0.42 115.95 125.35 1wh4 h TRP 39 Ca 0.48 -0.07 0.01 0.00 1.08 0.00 0.00 58.89 60.39 1wh4 h TRP 39 Cb 0.85 -0.15 -0.03 0.00 -3.00 0.00 0.00 29.16 26.83 1wh4 h TRP 39 CO -0.00 0.58 0.39 0.87 -1.28 0.00 0.00 178.44 179.00 1wh4 h LYS 40 N 0.35 0.75 -0.05 0.12 1.57 -1.48 0.07 116.57 117.90 1wh4 h LYS 40 Ca 0.10 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.78 1wh4 h LYS 40 Cb 0.32 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1wh4 h LYS 40 CO 0.00 0.50 -0.15 0.87 -0.57 0.00 0.00 179.45 180.10 1wh4 h LYS 41 N 0.78 0.20 -0.11 3.15 1.57 -0.94 -2.62 116.57 118.60 1wh4 h LYS 41 Ca 0.22 -0.14 0.03 0.00 -1.87 0.00 0.00 60.65 58.89 1wh4 h LYS 41 Cb -0.05 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 1wh4 h LYS 41 CO -0.05 0.76 -0.06 1.25 -0.57 0.00 0.00 179.45 180.78 1wh4 h LEU 42 N -0.33 -0.19 -0.48 2.94 7.12 -0.84 -1.23 115.31 122.29 1wh4 h LEU 42 Ca -0.00 0.05 0.10 0.00 0.13 0.00 0.00 57.88 58.15 1wh4 h LEU 42 Cb 0.77 0.11 -0.10 0.00 -0.53 0.00 0.00 40.66 40.91 1wh4 h LEU 42 CO 0.03 -0.08 -0.21 0.00 -0.13 0.00 0.00 178.44 178.05 1wh4 h ALA 43 N 1.04 0.15 0.00 1.25 0.00 -0.99 -1.65 119.26 119.05 1wh4 h ALA 43 Ca 0.06 0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1wh4 h ALA 43 Cb 0.15 0.53 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1wh4 h ALA 43 CO -0.14 -0.55 -0.11 -0.39 0.00 0.00 0.00 179.25 178.06 1wh4 h VAL 44 N -0.11 0.20 -0.29 0.00 -1.51 -1.26 -3.18 116.25 110.11 1wh4 h VAL 44 Ca 0.23 -1.10 -0.15 0.00 -1.23 0.00 0.00 66.70 64.45 1wh4 h VAL 44 Cb 0.46 1.93 -0.01 0.00 -2.13 0.00 0.00 31.29 31.55 1wh4 h VAL 44 CO -0.55 0.10 -0.43 0.00 -1.23 0.00 0.00 177.57 175.46 1wh4 h ALA 45 N 1.89 0.70 -2.88 5.19 0.00 -0.31 -3.44 119.26 120.40 1wh4 h ALA 45 Ca -0.00 -0.46 -0.53 0.00 0.00 0.00 0.00 54.91 53.92 1wh4 h ALA 45 Cb 0.92 -0.11 0.09 0.00 0.00 0.00 0.00 17.79 18.70 1wh4 h ALA 45 CO 0.01 0.67 0.61 0.42 0.00 0.00 0.00 179.25 180.96 1wh4 s ILE 46 N -4.25 2.54 0.19 0.00 1.01 -0.86 -5.05 121.20 114.78 1wh4 s ILE 46 Ca -0.09 0.47 0.03 0.00 0.00 0.00 0.00 60.65 61.06 1wh4 s ILE 46 Cb 0.12 -3.27 -0.05 0.00 0.01 0.00 0.00 42.46 39.27 1wh4 s ILE 46 CO 0.85 0.06 -0.02 -0.54 0.00 0.00 0.00 174.94 175.29 1wh4 s LYS 47 N -2.36 1.20 0.68 2.79 -0.14 -1.26 -4.04 119.74 116.60 1wh4 s LYS 47 Ca 0.59 -1.58 -0.06 0.00 -1.36 0.00 0.00 55.97 53.57 1wh4 s LYS 47 Cb -0.38 -0.51 0.05 0.00 -1.68 0.00 0.00 37.83 35.31 1wh4 s LYS 47 CO 0.49 -0.07 0.98 0.15 -0.76 0.00 0.00 175.35 176.13 1wh4 s LYS 48 N -3.85 2.28 0.30 1.68 1.02 0.10 -4.70 119.74 116.57 1wh4 s LYS 48 Ca 0.24 -0.31 0.21 0.00 0.02 0.00 0.00 55.97 56.13 1wh4 s LYS 48 Cb 0.05 -2.22 1.09 0.00 -0.52 0.00 0.00 37.83 36.24 1wh4 s LYS 48 CO 0.05 -1.14 1.64 -2.30 -0.92 0.00 0.00 175.35 172.68 1wh4 n PRO 49 N -2.83 0.14 -0.11 -1.68 -0.02 -1.26 -0.50 135.00 128.75 1wh4 n PRO 49 Ca 0.08 0.60 0.07 0.00 -2.02 0.00 0.00 63.50 62.23 1wh4 n PRO 49 Cb 0.60 -1.93 0.13 0.00 -0.02 0.00 0.00 33.50 32.28 1wh4 n PRO 49 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1wh4 n SER 50 N -2.22 2.69 0.00 2.55 7.64 -1.26 -4.99 113.62 118.03 1wh4 n SER 50 Ca -0.01 -1.79 0.00 0.00 1.01 0.00 0.00 58.87 58.08 1wh4 n SER 50 Cb 0.06 -0.14 0.00 0.00 -1.01 0.00 0.00 64.21 63.12 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 0.83 0.79 3.67 0.23 0.00 0.35 -5.09 105.19 105.97 1wh4 n GLY 51 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.36 2.51 -0.10 1.61 1.01 -1.26 -4.62 116.67 113.47 1wh4 s ASP 52 Ca 0.00 1.19 -0.28 0.00 0.71 0.00 0.00 52.55 54.17 1wh4 s ASP 52 Cb 0.00 -1.86 -0.02 0.00 1.01 0.00 0.00 42.92 42.05 1wh4 s ASP 52 CO 0.00 -3.20 0.95 -1.81 0.21 0.00 0.00 175.17 171.32 1wh4 s ASP 53 N -3.42 7.19 0.09 0.27 1.01 -1.26 0.01 116.67 120.57 1wh4 s ASP 53 Ca 0.65 1.46 -0.21 0.00 0.71 0.00 0.00 52.55 55.17 1wh4 s ASP 53 Cb -0.19 -2.53 -0.11 0.00 1.01 0.00 0.00 42.92 41.11 1wh4 s ASP 53 CO 0.58 -0.38 1.68 0.03 0.21 0.00 0.00 175.17 177.29 1wh4 h ARG 54 N 7.07 0.19 -2.71 8.23 3.08 -1.84 -3.40 114.38 124.99 1wh4 h ARG 54 Ca -0.33 -0.02 -0.61 0.00 0.07 0.00 0.00 59.98 59.09 1wh4 h ARG 54 Cb 1.16 -0.04 -0.41 0.00 0.08 0.00 0.00 29.97 30.76 1wh4 h ARG 54 CO 0.83 0.21 -0.69 0.66 -1.07 0.00 0.00 179.97 179.91 1wh4 n TYR 55 N -4.94 2.23 -0.55 3.04 4.01 -1.26 -5.04 117.16 114.65 1wh4 n TYR 55 Ca -0.05 -4.03 -0.30 0.00 -0.16 0.00 0.00 57.90 53.36 1wh4 n TYR 55 Cb 0.08 -0.41 0.27 0.00 -0.31 0.00 0.00 39.34 38.97 1wh4 n TYR 55 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 1wh4 s ASN 56 N -1.32 -0.42 0.49 7.72 -0.87 -1.26 -4.59 114.94 114.69 1wh4 s ASN 56 Ca 0.30 0.88 0.24 0.00 -1.57 0.00 0.00 52.86 52.71 1wh4 s ASN 56 Cb 0.02 -1.26 1.30 0.00 -0.02 0.00 0.00 41.25 41.29 1wh4 s ASN 56 CO -0.14 -4.97 1.91 1.56 -2.57 0.00 0.00 177.10 172.89 1wh4 h GLN 57 N -3.15 0.16 -0.18 -0.60 4.20 -1.98 0.29 115.11 113.84 1wh4 h GLN 57 Ca -0.46 -0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.29 1wh4 h GLN 57 Cb 1.33 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 29.07 1wh4 h GLN 57 CO 0.32 0.10 0.14 0.35 -0.67 0.00 0.00 178.83 179.07 1wh4 h PHE 58 N 0.16 0.00 0.08 2.96 3.57 -2.00 0.10 116.94 121.82 1wh4 h PHE 58 Ca 0.38 0.00 -0.33 0.00 3.53 0.00 0.00 57.97 61.55 1wh4 h PHE 58 Cb 1.26 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.98 1wh4 h PHE 58 CO -0.00 0.00 -1.84 0.45 -2.23 0.00 0.00 178.31 174.69 1wh4 h HIS 59 N 0.00 0.33 -0.34 0.41 3.86 -1.25 -3.31 115.15 114.84 1wh4 h HIS 59 Ca 0.09 -0.24 0.03 0.00 -1.16 0.00 0.00 60.37 59.09 1wh4 h HIS 59 Cb 0.36 -0.01 -0.03 0.00 1.06 0.00 0.00 27.41 28.78 1wh4 h HIS 59 CO 0.00 1.47 0.14 0.82 0.86 0.00 0.00 177.93 181.22 1wh4 h ILE 60 N 0.05 0.94 -0.37 2.45 1.08 -0.95 -1.11 117.51 119.59 1wh4 h ILE 60 Ca -0.35 -0.10 0.01 0.00 -0.39 0.00 0.00 64.86 64.02 1wh4 h ILE 60 Cb 2.03 0.61 -0.02 0.00 -3.07 0.00 0.00 36.82 36.37 1wh4 h ILE 60 CO 0.10 0.06 0.25 0.03 -0.69 0.00 0.00 178.15 177.89 1wh4 h ARG 61 N 0.30 0.47 0.60 2.37 2.47 -1.01 0.11 114.38 119.69 1wh4 h ARG 61 Ca 0.15 -0.03 -0.03 0.00 -1.26 0.00 0.00 59.98 58.81 1wh4 h ARG 61 Cb 0.10 -0.11 -0.00 0.00 -1.65 0.00 0.00 29.97 28.31 1wh4 h ARG 61 CO -0.13 0.31 -0.35 0.00 0.56 0.00 0.00 179.97 180.36 1wh4 h ARG 62 N 0.49 -0.85 -0.45 0.04 3.08 -1.47 -1.94 114.38 113.28 1wh4 h ARG 62 Ca 0.14 0.06 0.08 0.00 0.07 0.00 0.00 59.98 60.33 1wh4 h ARG 62 Cb -0.03 0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 1wh4 h ARG 62 CO -0.03 -0.57 0.31 0.74 -1.07 0.00 0.00 179.97 179.35 1wh4 h PHE 63 N -0.88 0.27 0.62 3.04 0.04 -0.46 -0.21 116.94 119.36 1wh4 h PHE 63 Ca -0.08 0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.67 1wh4 h PHE 63 Cb 0.70 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 38.75 1wh4 h PHE 63 CO -0.02 0.14 -0.45 0.93 -0.60 0.00 0.00 178.31 178.31 1wh4 h GLU 64 N 0.26 -0.98 -0.99 1.51 5.08 -0.78 -1.55 114.58 117.12 1wh4 h GLU 64 Ca 0.20 0.07 0.23 0.00 -1.00 0.00 0.00 59.36 58.86 1wh4 h GLU 64 Cb 0.47 0.22 -0.09 0.00 0.50 0.00 0.00 28.75 29.85 1wh4 h GLU 64 CO -0.04 -0.65 0.63 0.00 -1.00 0.00 0.00 179.01 177.94 1wh4 h ALA 65 N -1.16 2.02 0.78 3.43 0.00 -0.24 0.13 119.26 124.21 1wh4 h ALA 65 Ca -0.08 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1wh4 h ALA 65 Cb 0.84 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1wh4 h ALA 65 CO 0.04 -0.39 -0.40 -0.07 0.00 0.00 0.00 179.25 178.43 1wh4 h LEU 66 N 0.53 -0.97 -1.65 0.00 3.38 -1.17 -0.81 115.31 114.61 1wh4 h LEU 66 Ca 0.56 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.55 1wh4 h LEU 66 Cb 1.21 0.26 -0.01 0.00 0.09 0.00 0.00 40.66 42.22 1wh4 h LEU 66 CO -0.30 -0.66 -0.01 0.17 0.09 0.00 0.00 178.44 177.72 1wh4 h LEU 67 N -1.08 0.18 -0.37 1.67 8.10 -0.05 0.46 115.31 124.22 1wh4 h LEU 67 Ca -0.10 -0.02 -0.10 0.00 0.11 0.00 0.00 57.88 57.77 1wh4 h LEU 67 Cb 0.84 -0.05 -0.01 0.00 -0.44 0.00 0.00 40.66 41.01 1wh4 h LEU 67 CO 0.15 0.23 -0.16 1.56 -4.11 0.00 0.00 178.44 176.12 1wh4 h GLN 68 N 0.20 0.76 0.00 0.17 4.20 -0.72 -2.38 115.11 117.33 1wh4 h GLN 68 Ca 0.05 -0.32 0.00 0.00 0.06 0.00 0.00 58.65 58.44 1wh4 h GLN 68 Cb 0.16 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.92 1wh4 h GLN 68 CO 0.00 0.93 0.00 0.25 -0.67 0.00 0.00 178.83 179.35 1wh4 n THR 69 N -4.31 0.03 -0.80 -0.54 -2.24 -0.32 -4.91 114.28 101.19 1wh4 n THR 69 Ca -0.02 0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1wh4 n THR 69 Cb 0.40 -0.53 0.00 0.00 -2.10 0.00 0.00 70.33 68.10 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 1.09 0.60 3.78 3.38 0.00 -0.07 -5.06 105.19 108.91 1wh4 n GLY 70 Ca 0.17 -0.05 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.28 3.51 -0.06 1.61 1.02 -0.04 -4.93 119.74 120.57 1wh4 s LYS 71 Ca 0.00 1.48 -0.30 0.00 0.02 0.00 0.00 55.97 57.18 1wh4 s LYS 71 Cb 0.00 -2.04 -0.03 0.00 -0.52 0.00 0.00 37.83 35.24 1wh4 s LYS 71 CO 0.00 -0.70 1.23 0.45 -0.92 0.00 0.00 175.35 175.42 1wh4 s SER 72 N -1.93 7.01 0.24 2.83 0.15 -1.26 -2.79 113.70 117.95 1wh4 s SER 72 Ca 0.70 1.85 -0.03 0.00 0.70 0.00 0.00 55.95 59.17 1wh4 s SER 72 Cb -0.20 -2.56 0.29 0.00 -1.71 0.00 0.00 66.02 61.84 1wh4 s SER 72 CO 0.25 -0.62 1.72 1.55 1.20 0.00 0.00 173.24 177.34 1wh4 h PRO 73 N 7.57 0.78 0.41 5.44 0.13 -1.88 -2.81 132.00 141.64 1wh4 h PRO 73 Ca -0.34 -0.24 -0.01 0.00 -0.87 0.00 0.00 66.00 64.54 1wh4 h PRO 73 Cb 1.16 -0.07 -0.03 0.00 0.13 0.00 0.00 31.00 32.19 1wh4 h PRO 73 CO 0.89 0.84 -0.47 1.15 -0.23 0.00 0.00 178.00 180.18 1wh4 h THR 74 N 0.72 0.08 -0.62 1.56 2.02 -1.90 -0.15 112.91 114.60 1wh4 h THR 74 Ca 0.13 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.34 1wh4 h THR 74 Cb 0.54 0.08 -0.04 0.00 -1.74 0.00 0.00 68.15 66.99 1wh4 h THR 74 CO 0.03 0.00 0.38 0.00 0.37 0.00 0.00 175.52 176.30 1wh4 h GLU 76 N 0.75 -0.12 0.27 0.00 4.39 -1.46 -0.32 114.58 118.09 1wh4 h GLU 76 Ca 0.25 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.95 1wh4 h GLU 76 Cb 0.03 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 1wh4 h GLU 76 CO -0.11 0.02 -0.18 1.25 -1.16 0.00 0.00 179.01 178.83 1wh4 h LEU 77 N -0.23 -0.45 -0.77 1.33 5.85 -0.36 0.12 115.31 120.80 1wh4 h LEU 77 Ca -0.01 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.75 1wh4 h LEU 77 Cb 0.19 0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.32 1wh4 h LEU 77 CO 0.02 -0.28 0.51 -0.07 -0.34 0.00 0.00 178.44 178.28 1wh4 h LEU 78 N -0.44 0.88 -0.07 2.25 3.38 -1.00 0.69 115.31 120.99 1wh4 h LEU 78 Ca -0.02 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1wh4 h LEU 78 Cb 0.37 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 1wh4 h LEU 78 CO 0.02 0.64 -0.01 0.15 0.09 0.00 0.00 178.44 179.32 1wh4 h PHE 79 N 1.04 0.16 -0.42 1.13 3.57 -0.72 -2.35 116.94 119.34 1wh4 h PHE 79 Ca 0.28 -0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.71 1wh4 h PHE 79 Cb -0.11 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.57 1wh4 h PHE 79 CO -0.02 0.45 0.09 0.22 -2.23 0.00 0.00 178.31 176.82 1wh4 h ASP 80 N -0.18 0.65 -0.35 0.41 3.58 -0.66 -1.83 116.42 118.04 1wh4 h ASP 80 Ca 0.02 -0.24 0.06 0.00 0.42 0.00 0.00 57.03 57.28 1wh4 h ASP 80 Cb 0.40 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.26 1wh4 h ASP 80 CO 0.01 0.73 0.24 -0.25 -2.88 0.00 0.00 179.24 177.08 1wh4 h TRP 81 N 0.55 0.22 -0.07 0.28 7.01 -0.91 -0.68 115.95 122.35 1wh4 h TRP 81 Ca 0.13 0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.16 1wh4 h TRP 81 Cb 0.34 -0.07 -0.00 0.00 -2.10 0.00 0.00 29.16 27.32 1wh4 h TRP 81 CO 0.02 0.12 0.08 0.78 -2.79 0.00 0.00 178.44 176.65 1wh4 h GLY 82 N 0.22 0.00 2.00 2.65 0.00 -0.76 0.42 103.07 107.60 1wh4 h GLY 82 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.48 1wh4 h GLY 82 CO -0.03 0.00 0.00 -0.37 0.00 0.00 0.00 176.54 176.14 1wh4 n THR 83 N -3.78 0.40 1.01 4.70 5.66 -0.26 -3.84 114.28 118.18 1wh4 n THR 83 Ca -0.01 0.02 0.10 0.00 -3.05 0.00 0.00 64.05 61.11 1wh4 n THR 83 Cb 0.18 -0.68 -0.06 0.00 -1.55 0.00 0.00 70.33 68.21 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 -1.71 0.00 -1.64 1.09 -1.04 0.14 -5.00 114.28 106.12 1wh4 n THR 84 Ca 0.06 -0.07 -0.00 0.00 -2.04 0.00 0.00 64.05 61.99 1wh4 n THR 84 Cb 0.31 1.02 0.00 0.00 -1.82 0.00 0.00 70.33 69.85 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 -1.07 -2.54 -4.25 8.00 3.02 -1.24 -5.13 115.26 112.04 1wh4 n ASN 85 Ca 0.06 0.02 -0.14 0.00 -0.03 0.00 0.00 54.58 54.48 1wh4 n ASN 85 Cb 0.37 -1.40 -0.10 0.00 -0.61 0.00 0.00 39.78 38.03 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 -3.59 0.56 0.24 0.00 -4.23 -1.26 -3.53 115.64 103.83 1wh4 s THR 87 Ca 0.23 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 58.69 1wh4 s THR 87 Cb 0.06 -2.33 0.20 0.00 1.34 0.00 0.00 72.50 71.77 1wh4 s THR 87 CO 0.04 0.00 1.81 0.58 -0.54 0.00 0.00 174.62 176.50 1wh4 h VAL 88 N 1.77 0.91 -0.77 2.29 2.07 -0.30 -1.52 116.25 120.71 1wh4 h VAL 88 Ca -0.35 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 66.89 1wh4 h VAL 88 Cb 1.27 0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 31.09 1wh4 h VAL 88 CO 0.56 0.14 0.40 1.23 0.02 0.00 0.00 177.57 179.91 1wh4 h GLY 89 N 0.76 1.16 0.67 2.17 0.00 -1.17 -0.95 103.07 105.71 1wh4 h GLY 89 Ca 0.38 -0.55 0.03 0.00 0.00 0.00 0.00 47.33 47.19 1wh4 h GLY 89 CO -0.24 0.52 -0.08 -1.80 0.00 0.00 0.00 176.54 174.94 1wh4 h ASP 90 N 1.07 -0.26 0.37 0.19 1.82 -1.55 -0.92 116.42 117.14 1wh4 h ASP 90 Ca 0.27 0.05 -0.00 0.00 -0.39 0.00 0.00 57.03 56.96 1wh4 h ASP 90 Cb 0.07 0.13 -0.02 0.00 0.68 0.00 0.00 39.33 40.19 1wh4 h ASP 90 CO -0.04 -0.12 -0.33 0.25 -1.61 0.00 0.00 179.24 177.39 1wh4 h LEU 91 N -0.10 -0.88 -0.62 2.28 5.85 -0.87 -2.25 115.31 118.72 1wh4 h LEU 91 Ca 0.06 0.07 0.12 0.00 0.84 0.00 0.00 57.88 58.98 1wh4 h LEU 91 Cb 0.20 0.29 -0.12 0.00 0.37 0.00 0.00 40.66 41.40 1wh4 h LEU 91 CO -0.15 -0.48 -0.14 0.58 -0.34 0.00 0.00 178.44 177.91 1wh4 h VAL 92 N -0.71 0.39 -0.12 1.05 2.07 -1.08 0.66 116.25 118.51 1wh4 h VAL 92 Ca -0.03 -0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.53 1wh4 h VAL 92 Cb 0.63 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 30.75 1wh4 h VAL 92 CO -0.04 0.00 -0.11 -0.78 0.02 0.00 0.00 177.57 176.66 1wh4 h ASP 93 N 0.01 -0.36 -0.33 0.57 1.82 -0.61 -0.03 116.42 117.48 1wh4 h ASP 93 Ca 0.30 0.07 -0.14 0.00 -0.39 0.00 0.00 57.03 56.87 1wh4 h ASP 93 Cb 0.46 0.18 -0.01 0.00 0.68 0.00 0.00 39.33 40.64 1wh4 h ASP 93 CO -0.63 -0.15 -0.31 -0.07 -1.61 0.00 0.00 179.24 176.47 1wh4 h LEU 94 N -0.14 0.89 -0.64 2.28 3.38 -1.15 -2.61 115.31 117.32 1wh4 h LEU 94 Ca 0.08 -0.37 0.05 0.00 0.09 0.00 0.00 57.88 57.74 1wh4 h LEU 94 Cb 0.26 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.71 1wh4 h LEU 94 CO -0.20 1.13 0.36 -0.07 0.09 0.00 0.00 178.44 179.75 1wh4 h LEU 95 N 0.72 0.55 -1.42 1.67 3.38 -0.15 -1.00 115.31 119.06 1wh4 h LEU 95 Ca 0.08 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 1wh4 h LEU 95 Cb 0.86 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 1wh4 h LEU 95 CO 0.08 0.37 -0.10 0.58 0.09 0.00 0.00 178.44 179.45 1wh4 h VAL 96 N 0.68 1.17 -0.06 1.22 2.07 -0.87 0.37 116.25 120.84 1wh4 h VAL 96 Ca 0.28 -0.73 -0.07 0.00 0.82 0.00 0.00 66.70 67.00 1wh4 h VAL 96 Cb 0.14 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 1wh4 h VAL 96 CO -0.16 0.23 -0.29 0.06 0.02 0.00 0.00 177.57 177.42 1wh4 h GLN 97 N 0.26 0.10 -0.64 1.57 3.07 -0.81 -2.43 115.11 116.23 1wh4 h GLN 97 Ca 0.05 -0.03 0.00 0.00 0.09 0.00 0.00 58.65 58.76 1wh4 h GLN 97 Cb 0.34 -0.01 0.00 0.00 0.08 0.00 0.00 27.48 27.89 1wh4 h GLN 97 CO 0.02 0.39 0.00 0.44 0.09 0.00 0.00 178.83 179.77 1wh4 n ILE 98 N -4.16 1.64 -1.45 1.86 -5.35 -0.98 -4.94 119.36 105.98 1wh4 n ILE 98 Ca -0.02 -1.03 -0.15 0.00 -0.27 0.00 0.00 62.75 61.28 1wh4 n ILE 98 Cb 0.36 0.05 -0.07 0.00 -1.74 0.00 0.00 39.64 38.24 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 0.94 -1.40 -2.04 6.28 1.02 -0.91 -4.91 120.64 119.61 1wh4 n GLU 99 Ca 0.23 1.03 -0.42 0.00 -0.02 0.00 0.00 57.16 57.98 1wh4 n GLU 99 Cb 0.81 -5.34 -0.00 0.00 -0.02 0.00 0.00 31.44 26.88 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 -1.76 7.19 -0.11 -4.62 7.99 0.09 -4.73 117.00 121.06 1wh4 n LEU 100 Ca -0.15 -4.57 -0.13 0.00 -0.01 0.00 0.00 56.01 51.15 1wh4 n LEU 100 Cb 0.59 -1.50 -0.03 0.00 -0.11 0.00 0.00 43.42 42.37 1wh4 n LEU 100 CO 0.23 1.53 0.60 -0.26 -1.51 0.00 0.00 177.39 177.98 1wh4 h PHE 101 N 5.49 0.90 -0.27 -1.77 0.04 -1.91 -2.94 116.94 116.49 1wh4 h PHE 101 Ca 0.54 -0.26 0.06 0.00 2.80 0.00 0.00 57.97 61.12 1wh4 h PHE 101 Cb 0.53 -0.20 -0.08 0.00 2.20 0.00 0.00 35.95 38.41 1wh4 h PHE 101 CO 1.43 1.01 -0.34 0.00 -0.60 0.00 0.00 178.31 179.81 1wh4 h ALA 102 N 0.75 -0.31 -0.37 2.45 0.00 -1.97 0.21 119.26 120.02 1wh4 h ALA 102 Ca 0.06 0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 1wh4 h ALA 102 Cb 0.83 0.68 -0.02 0.00 0.00 0.00 0.00 17.79 19.29 1wh4 h ALA 102 CO 0.07 -0.78 -0.20 -1.00 0.00 0.00 0.00 179.25 177.34 1wh4 h PRO 103 N -0.34 0.70 -0.56 0.00 0.13 -1.94 -0.96 132.00 129.04 1wh4 h PRO 103 Ca 0.13 -0.26 0.07 0.00 -0.87 0.00 0.00 66.00 65.06 1wh4 h PRO 103 Cb 0.55 -0.04 -0.06 0.00 0.13 0.00 0.00 31.00 31.58 1wh4 h PRO 103 CO -0.45 0.85 0.24 0.00 -0.23 0.00 0.00 178.00 178.41 1wh4 h ALA 104 N 1.16 0.72 -0.12 -0.56 0.00 -1.15 -1.13 119.26 118.17 1wh4 h ALA 104 Ca 0.09 0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.91 1wh4 h ALA 104 Cb 0.68 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1wh4 h ALA 104 CO 0.05 -0.14 -0.57 1.15 0.00 0.00 0.00 179.25 179.73 1wh4 h THR 105 N 0.45 1.35 -0.21 0.00 2.02 -0.36 0.11 112.91 116.27 1wh4 h THR 105 Ca 0.27 -1.88 -0.08 0.00 0.77 0.00 0.00 66.41 65.48 1wh4 h THR 105 Cb 0.26 1.89 -0.01 0.00 -1.74 0.00 0.00 68.15 68.55 1wh4 h THR 105 CO -0.23 0.57 -0.23 0.25 0.37 0.00 0.00 175.52 176.24 1wh4 h LEU 106 N 0.28 0.39 -0.00 2.58 5.85 -0.73 -2.15 115.31 121.53 1wh4 h LEU 106 Ca 0.00 -0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.56 1wh4 h LEU 106 Cb 1.09 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.02 1wh4 h LEU 106 CO 0.10 0.63 -0.17 -0.07 -0.34 0.00 0.00 178.44 178.58 1wh4 h LEU 107 N 0.35 0.15 -6.00 2.25 3.38 -1.00 -3.46 115.31 110.98 1wh4 h LEU 107 Ca 0.06 -0.78 -0.09 0.00 0.09 0.00 0.00 57.88 57.15 1wh4 h LEU 107 Cb 0.60 -0.05 -0.20 0.00 0.09 0.00 0.00 40.66 41.11 1wh4 h LEU 107 CO 0.04 0.91 -0.47 -0.22 0.09 0.00 0.00 178.44 178.79 1wh4 s LEU 108 N -8.55 -1.40 0.50 1.67 0.20 0.38 -4.36 118.68 107.12 1wh4 s LEU 108 Ca -0.16 -0.89 0.27 0.00 0.69 0.00 0.00 54.13 54.03 1wh4 s LEU 108 Cb 0.00 1.84 1.29 0.00 -0.43 0.00 0.00 46.19 48.89 1wh4 s LEU 108 CO 0.72 -0.17 1.99 1.55 -0.29 0.00 0.00 176.35 180.15 1wh4 h PRO 109 N 6.93 0.00 0.00 0.98 0.13 -1.57 -2.80 132.00 135.67 1wh4 h PRO 109 Ca 0.05 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.13 1wh4 h PRO 109 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 1wh4 h PRO 109 CO 0.11 0.15 -0.26 0.22 -0.23 0.00 0.00 178.00 177.98 1wh4 h ASP 110 N 0.00 0.00 0.15 1.44 3.58 -1.92 -3.36 116.42 116.31 1wh4 h ASP 110 Ca -0.00 0.00 -0.36 0.00 0.42 0.00 0.00 57.03 57.09 1wh4 h ASP 110 Cb 0.47 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.52 1wh4 h ASP 110 CO 0.02 0.26 -1.91 0.00 -2.88 0.00 0.00 179.24 174.73 1wh4 h ALA 111 N 1.74 0.34 -2.16 -0.78 0.00 -1.86 -3.45 119.26 113.08 1wh4 h ALA 111 Ca -0.00 -1.30 -0.57 0.00 0.00 0.00 0.00 54.91 53.04 1wh4 h ALA 111 Cb 0.93 0.62 -0.04 0.00 0.00 0.00 0.00 17.79 19.29 1wh4 h ALA 111 CO 0.03 1.21 0.89 0.54 0.00 0.00 0.00 179.25 181.92 1wh4 s VAL 112 N -2.57 4.27 -1.31 0.00 0.11 -1.25 -4.92 120.40 114.75 1wh4 s VAL 112 Ca -0.20 1.54 0.18 0.00 -2.93 0.00 0.00 61.98 60.58 1wh4 s VAL 112 Cb 0.06 -4.00 0.27 0.00 -1.53 0.00 0.00 36.38 31.19 1wh4 s VAL 112 CO 0.80 -0.12 1.56 -0.81 -3.33 0.00 0.00 175.10 173.20 1wh4 n PRO 113 N 6.47 0.19 -0.62 1.54 -0.04 -1.26 -3.98 135.00 137.30 1wh4 n PRO 113 Ca 0.14 0.14 -0.17 0.00 -0.04 0.00 0.00 63.50 63.56 1wh4 n PRO 113 Cb 0.45 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.39 1wh4 n PRO 113 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1wh4 n GLN 114 N -1.35 1.70 -1.65 0.54 7.27 -1.26 -4.91 117.38 117.72 1wh4 n GLN 114 Ca 0.07 -1.23 -0.43 0.00 0.07 0.00 0.00 57.00 55.49 1wh4 n GLN 114 Cb 0.16 -2.31 -0.03 0.00 2.41 0.00 0.00 30.24 30.47 1wh4 n GLN 114 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 1wh4 s THR 115 N 3.44 3.04 -0.10 1.69 2.01 -1.26 -4.96 115.64 119.50 1wh4 s THR 115 Ca 0.34 0.04 -0.04 0.00 0.31 0.00 0.00 61.69 62.34 1wh4 s THR 115 Cb 0.10 -3.04 0.05 0.00 0.01 0.00 0.00 72.50 69.61 1wh4 s THR 115 CO -0.03 -0.02 0.20 0.54 -0.69 0.00 0.00 174.62 174.62 1wh4 s VAL 116 N 6.85 -0.27 -0.33 3.82 0.11 -1.26 -5.04 120.40 124.28 1wh4 s VAL 116 Ca 0.95 0.30 0.17 0.00 -2.93 0.00 0.00 61.98 60.47 1wh4 s VAL 116 Cb -0.36 -0.34 0.46 0.00 -1.53 0.00 0.00 36.38 34.61 1wh4 s VAL 116 CO 0.37 0.13 1.01 2.29 -3.33 0.00 0.00 175.10 175.57 1wh4 n LYS 117 N 5.14 1.65 -1.88 1.54 0.00 -1.26 -5.04 118.16 118.31 1wh4 n LYS 117 Ca -0.09 -3.50 -0.30 0.00 -0.00 0.00 0.00 58.31 54.42 1wh4 n LYS 117 Cb 0.50 -1.48 0.16 0.00 -0.00 0.00 0.00 35.03 34.21 1wh4 n LYS 117 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1wh4 s SER 118 N -3.31 3.44 -0.27 -5.58 0.15 -1.26 -5.10 113.70 101.76 1wh4 s SER 118 Ca 0.31 0.45 -0.02 0.00 0.70 0.00 0.00 55.95 57.39 1wh4 s SER 118 Cb 0.43 -0.65 0.09 0.00 -1.71 0.00 0.00 66.02 64.17 1wh4 s SER 118 CO -0.01 -2.55 0.08 -1.48 1.20 0.00 0.00 173.24 170.49 1wh4 s LEU 119 N -5.85 1.66 0.30 3.45 0.05 -1.26 -5.14 118.68 111.90 1wh4 s LEU 119 Ca 0.70 -1.32 -0.29 0.00 0.05 0.00 0.00 54.13 53.27 1wh4 s LEU 119 Cb -0.06 -0.71 -0.10 0.00 -2.05 0.00 0.00 46.19 43.26 1wh4 s LEU 119 CO 0.52 -0.38 1.22 -2.16 -0.55 0.00 0.00 176.35 175.00 1wh4 s PRO 120 N 1.76 4.47 0.00 1.48 0.04 -1.26 -4.92 135.00 136.58 1wh4 s PRO 120 Ca 0.06 2.04 0.04 0.00 0.04 0.00 0.00 61.00 63.17 1wh4 s PRO 120 Cb -0.17 -3.13 0.21 0.00 0.04 0.00 0.00 34.50 31.45 1wh4 s PRO 120 CO -0.21 -0.03 0.76 -2.30 0.04 0.00 0.00 177.00 175.26 1wh4 n PRO 121 N 1.11 0.10 -4.45 0.56 -0.02 -1.26 -4.91 135.00 126.14 1wh4 n PRO 121 Ca 0.00 0.07 -0.24 0.00 -2.02 0.00 0.00 63.50 61.31 1wh4 n PRO 121 Cb 0.43 -1.50 -0.08 0.00 -0.02 0.00 0.00 33.50 32.33 1wh4 n PRO 121 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1wh4 s SER 122 N -2.15 2.51 0.57 2.55 1.04 -1.26 -5.18 113.70 111.78 1wh4 s SER 122 Ca 0.05 -1.74 0.06 0.00 0.48 0.00 0.00 55.95 54.81 1wh4 s SER 122 Cb 0.03 0.58 0.06 0.00 0.10 0.00 0.00 66.02 66.78 1wh4 s SER 122 CO 0.05 -1.01 0.50 -0.83 0.98 0.00 0.00 173.24 172.93 1wh4 s GLY 123 N -3.55 2.26 0.35 7.32 0.00 -1.26 -5.03 107.32 107.41 1wh4 s GLY 123 Ca 0.28 -1.35 0.20 0.00 0.00 0.00 0.00 44.72 43.85 1wh4 s GLY 123 CO 0.19 -1.92 1.48 -0.56 0.00 0.00 0.00 173.10 172.29 1wh4 h PRO 124 N 0.57 0.00 -0.71 2.90 0.13 -2.03 -3.43 132.00 129.44 1wh4 h PRO 124 Ca -0.34 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 64.89 1wh4 h PRO 124 Cb 1.31 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.23 1wh4 h PRO 124 CO 0.53 0.18 -0.24 0.45 -0.23 0.00 0.00 178.00 178.69 1wh4 s SER 125 N -6.21 -1.17 0.13 1.44 0.15 -1.26 -5.05 113.70 101.74 1wh4 s SER 125 Ca 0.05 0.13 -0.17 0.00 0.70 0.00 0.00 55.95 56.66 1wh4 s SER 125 Cb 0.06 1.74 -0.03 0.00 -1.71 0.00 0.00 66.02 66.08 1wh4 s SER 125 CO 0.71 -0.21 1.73 0.28 1.20 0.00 0.00 173.24 176.94 1wh4 h SER 126 N 7.71 0.41 0.00 5.45 0.02 -2.00 -3.55 113.55 121.59 1wh4 h SER 126 Ca -0.04 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 1wh4 h SER 126 Cb 1.18 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.62 1wh4 h SER 126 CO 0.05 0.39 0.00 0.61 -1.14 0.00 0.00 176.83 176.74