#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wh4 n SER 2 N 0.00 -0.66 -2.13 1.61 2.88 -1.26 -5.05 113.62 109.01 1wh4 n SER 2 Ca 0.00 0.22 -0.05 0.00 -1.33 0.00 0.00 58.87 57.71 1wh4 n SER 2 Cb 0.00 0.86 -0.06 0.00 -0.75 0.00 0.00 64.21 64.26 1wh4 n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wh4 n SER 3 N -2.55 2.62 -4.56 -3.46 7.64 -1.26 -4.86 113.62 107.20 1wh4 n SER 3 Ca 0.00 -1.92 -0.33 0.00 1.01 0.00 0.00 58.87 57.63 1wh4 n SER 3 Cb 0.00 -0.67 -0.04 0.00 -1.01 0.00 0.00 64.21 62.49 1wh4 n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wh4 s GLY 4 N 2.38 0.66 -0.33 0.23 0.00 -1.26 -4.81 107.32 104.20 1wh4 s GLY 4 Ca 0.25 -1.97 0.01 0.00 0.00 0.00 0.00 44.72 43.01 1wh4 s GLY 4 CO 0.00 3.17 0.34 -0.45 0.00 0.00 0.00 173.10 176.16 1wh4 s SER 5 N 6.48 1.41 0.00 1.64 0.15 -1.26 -5.06 113.70 117.05 1wh4 s SER 5 Ca 0.61 -1.18 0.00 0.00 0.70 0.00 0.00 55.95 56.07 1wh4 s SER 5 Cb -0.03 0.54 0.00 0.00 -1.71 0.00 0.00 66.02 64.82 1wh4 s SER 5 CO -0.01 -0.32 0.00 -1.20 1.20 0.00 0.00 173.24 172.91 1wh4 n SER 6 N 4.76 0.00 -0.46 5.45 7.64 -1.26 -5.11 113.62 124.64 1wh4 n SER 6 Ca 0.05 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.93 1wh4 n SER 6 Cb 0.46 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 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 2.75 -2.12 2.76 0.23 0.00 -1.26 -5.07 105.19 102.47 1wh4 n GLY 7 Ca 0.00 -0.84 -0.30 0.00 0.00 0.00 0.00 46.02 44.88 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 -2.65 0.83 0.82 1.61 -2.45 -1.26 -5.13 119.30 111.09 1wh4 s MET 8 Ca 0.00 -1.24 -0.11 0.00 -1.25 0.00 0.00 55.69 53.09 1wh4 s MET 8 Cb 0.00 -2.13 0.09 0.00 1.25 0.00 0.00 34.83 34.05 1wh4 s MET 8 CO 0.00 -1.00 1.13 -0.80 1.05 0.00 0.00 175.02 175.39 1wh4 s ASN 9 N 1.43 3.82 0.26 1.11 0.01 -1.26 -4.96 114.94 115.34 1wh4 s ASN 9 Ca 0.11 2.04 -0.31 0.00 -0.71 0.00 0.00 52.86 53.99 1wh4 s ASN 9 Cb -0.18 -2.55 -0.12 0.00 0.41 0.00 0.00 41.25 38.81 1wh4 s ASN 9 CO -0.21 -2.50 1.64 0.29 -1.51 0.00 0.00 177.10 174.81 1wh4 n LYS 10 N -3.71 2.71 0.00 -0.60 4.01 -1.26 -5.02 118.16 114.29 1wh4 n LYS 10 Ca 0.11 0.97 0.00 0.00 -0.51 0.00 0.00 58.31 58.87 1wh4 n LYS 10 Cb 0.52 -2.77 0.00 0.00 -0.51 0.00 0.00 35.03 32.27 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 2.79 1.15 -1.69 1.97 -0.04 -1.26 -4.91 135.00 133.00 1wh4 n PRO 11 Ca 0.11 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.15 1wh4 n PRO 11 Cb 0.36 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.79 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 3.95 0.64 1.53 2.01 -1.23 -4.96 118.68 120.62 1wh4 s LEU 12 Ca 0.00 2.22 -0.17 0.00 0.01 0.00 0.00 54.13 56.19 1wh4 s LEU 12 Cb 0.00 -3.52 -0.01 0.00 0.01 0.00 0.00 46.19 42.67 1wh4 s LEU 12 CO 0.00 -1.47 1.20 0.42 1.01 0.00 0.00 176.35 177.51 1wh4 s THR 13 N 6.22 2.58 0.47 5.49 -4.23 -1.26 -4.65 115.64 120.25 1wh4 s THR 13 Ca 0.92 0.33 0.36 0.00 -1.18 0.00 0.00 61.69 62.11 1wh4 s THR 13 Cb -0.37 -3.01 0.38 0.00 1.34 0.00 0.00 72.50 70.84 1wh4 s THR 13 CO 0.37 -0.11 2.19 1.55 -0.54 0.00 0.00 174.62 178.09 1wh4 h PRO 14 N 0.42 0.00 -0.00 3.99 0.13 -1.92 -0.28 132.00 134.33 1wh4 h PRO 14 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1wh4 h PRO 14 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1wh4 h PRO 14 CO 0.53 0.04 -0.13 -1.13 -0.23 0.00 0.00 178.00 177.08 1wh4 n SER 15 N -3.35 0.52 -4.70 1.44 3.41 -1.26 -0.88 113.62 108.81 1wh4 n SER 15 Ca -0.02 -0.59 -0.42 0.00 -0.26 0.00 0.00 58.87 57.58 1wh4 n SER 15 Cb 0.17 -0.05 -0.03 0.00 -0.26 0.00 0.00 64.21 64.04 1wh4 n SER 15 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1wh4 s THR 16 N -2.49 2.51 0.72 6.66 2.01 -0.12 -4.83 115.64 120.10 1wh4 s THR 16 Ca 0.28 0.21 -0.13 0.00 0.31 0.00 0.00 61.69 62.37 1wh4 s THR 16 Cb 0.20 -3.14 0.03 0.00 0.01 0.00 0.00 72.50 69.60 1wh4 s THR 16 CO 0.48 0.01 1.10 -0.31 -0.69 0.00 0.00 174.62 175.21 1wh4 s TYR 17 N 1.94 2.58 0.24 4.92 1.51 -1.26 -0.13 117.35 127.14 1wh4 s TYR 17 Ca 0.75 1.56 -0.04 0.00 -1.01 0.00 0.00 57.07 58.33 1wh4 s TYR 17 Cb -0.45 -3.12 0.26 0.00 -0.11 0.00 0.00 41.96 38.54 1wh4 s TYR 17 CO 0.33 -1.77 1.76 0.82 -1.11 0.00 0.00 175.55 175.57 1wh4 h ILE 18 N -0.56 1.25 -0.39 2.71 1.08 -1.85 -2.04 117.51 117.70 1wh4 h ILE 18 Ca -0.45 -0.95 0.09 0.00 -0.39 0.00 0.00 64.86 63.15 1wh4 h ILE 18 Cb 1.24 0.69 -0.02 0.00 -3.07 0.00 0.00 36.82 35.66 1wh4 h ILE 18 CO 0.52 0.35 0.27 0.08 -0.69 0.00 0.00 178.15 178.69 1wh4 h ARG 19 N 0.90 0.12 0.00 2.37 0.11 -1.82 -1.49 114.38 114.57 1wh4 h ARG 19 Ca 0.18 -0.01 -0.06 0.00 0.10 0.00 0.00 59.98 60.20 1wh4 h ARG 19 Cb 0.39 -0.03 -0.01 0.00 1.11 0.00 0.00 29.97 31.43 1wh4 h ARG 19 CO 0.01 0.08 -0.26 -0.97 0.10 0.00 0.00 179.97 178.92 1wh4 h ASN 20 N 0.12 0.00 -2.35 0.08 -0.73 -1.74 -3.43 115.58 107.52 1wh4 h ASN 20 Ca 0.18 0.00 -0.56 0.00 1.87 0.00 0.00 56.30 57.79 1wh4 h ASN 20 Cb 0.56 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 39.15 1wh4 h ASN 20 CO -0.02 0.26 1.29 -0.76 -0.37 0.00 0.00 177.43 177.84 1wh4 s LEU 21 N -7.35 3.93 0.70 0.34 1.43 -0.56 -4.93 118.68 112.24 1wh4 s LEU 21 Ca -0.01 2.09 -0.16 0.00 -1.03 0.00 0.00 54.13 55.01 1wh4 s LEU 21 Cb 0.12 -3.52 0.01 0.00 0.03 0.00 0.00 46.19 42.83 1wh4 s LEU 21 CO 0.65 -1.44 1.15 -3.20 0.23 0.00 0.00 176.35 173.75 1wh4 n ASN 22 N 9.28 1.26 0.15 2.29 2.85 -1.26 -4.67 115.26 125.15 1wh4 n ASN 22 Ca 0.23 0.72 0.18 0.00 -0.11 0.00 0.00 54.58 55.60 1wh4 n ASN 22 Cb 0.44 -1.49 0.78 0.00 1.24 0.00 0.00 39.78 40.75 1wh4 n ASN 22 CO 0.00 0.00 0.00 1.62 -2.11 0.00 0.00 177.26 176.77 1wh4 h VAL 23 N -0.03 0.53 0.43 3.44 3.04 -1.95 0.44 116.25 122.13 1wh4 h VAL 23 Ca -0.49 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.20 1wh4 h VAL 23 Cb 1.33 0.79 -0.02 0.00 -2.01 0.00 0.00 31.29 31.38 1wh4 h VAL 23 CO 0.49 0.00 -0.45 1.23 -1.01 0.00 0.00 177.57 177.83 1wh4 h GLY 24 N 0.00 -1.08 1.02 3.17 0.00 -1.99 0.19 103.07 104.38 1wh4 h GLY 24 Ca 0.13 0.52 -0.03 0.00 0.00 0.00 0.00 47.33 47.96 1wh4 h GLY 24 CO -0.00 -0.34 0.39 -2.22 0.00 0.00 0.00 176.54 174.37 1wh4 h ILE 25 N -0.89 1.25 -0.73 2.60 5.03 -1.41 -1.36 117.51 121.99 1wh4 h ILE 25 Ca -0.04 -0.68 -0.03 0.00 -0.12 0.00 0.00 64.86 63.99 1wh4 h ILE 25 Cb 0.79 0.23 -0.03 0.00 -3.03 0.00 0.00 36.82 34.79 1wh4 h ILE 25 CO -0.08 0.29 0.35 -0.07 -0.68 0.00 0.00 178.15 177.97 1wh4 h LEU 26 N 1.12 0.96 -0.16 1.44 3.38 -0.82 0.16 115.31 121.40 1wh4 h LEU 26 Ca 0.27 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 1wh4 h LEU 26 Cb 0.10 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1wh4 h LEU 26 CO -0.04 0.82 0.08 0.03 0.09 0.00 0.00 178.44 179.43 1wh4 h ARG 27 N 1.03 0.22 -0.16 1.13 2.47 -0.75 -1.44 114.38 116.87 1wh4 h ARG 27 Ca 0.25 -0.03 0.05 0.00 -1.26 0.00 0.00 59.98 58.99 1wh4 h ARG 27 Cb 0.12 -0.04 -0.06 0.00 -1.65 0.00 0.00 29.97 28.34 1wh4 h ARG 27 CO -0.03 0.24 -0.21 0.87 0.56 0.00 0.00 179.97 181.40 1wh4 h LYS 28 N 0.14 -0.24 -0.61 0.04 1.79 -0.69 -2.04 116.57 114.96 1wh4 h LYS 28 Ca 0.05 0.02 0.09 0.00 -2.18 0.00 0.00 60.65 58.63 1wh4 h LYS 28 Cb 0.09 0.06 -0.07 0.00 -1.58 0.00 0.00 32.23 30.72 1wh4 h LYS 28 CO -0.01 -0.16 0.24 -0.07 -1.08 0.00 0.00 179.45 178.37 1wh4 h LEU 29 N -0.25 0.25 -1.43 2.94 -0.00 -0.60 -1.60 115.31 114.62 1wh4 h LEU 29 Ca 0.11 0.07 0.13 0.00 -0.00 0.00 0.00 57.88 58.20 1wh4 h LEU 29 Cb 0.42 0.05 -0.06 0.00 -0.00 0.00 0.00 40.66 41.07 1wh4 h LEU 29 CO -0.31 0.15 0.52 -1.28 -0.00 0.00 0.00 178.44 177.53 1wh4 h SER 30 N 0.43 0.54 0.07 -0.43 0.87 -0.56 0.12 113.55 114.59 1wh4 h SER 30 Ca 0.31 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.89 1wh4 h SER 30 Cb 0.37 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 62.24 1wh4 h SER 30 CO -0.30 0.29 -0.03 -0.78 -0.53 0.00 0.00 176.83 175.48 1wh4 h ASP 31 N 0.58 0.00 0.00 6.23 3.58 -0.86 -0.85 116.42 125.11 1wh4 h ASP 31 Ca 0.39 0.00 -0.17 0.00 0.42 0.00 0.00 57.03 57.67 1wh4 h ASP 31 Cb 0.69 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.71 1wh4 h ASP 31 CO -0.15 0.03 -1.86 0.49 -2.88 0.00 0.00 179.24 174.88 1wh4 n PHE 32 N -3.91 0.00 -0.05 0.28 3.72 -0.24 -4.61 117.46 112.65 1wh4 n PHE 32 Ca -0.03 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.38 1wh4 n PHE 32 Cb 0.12 -0.56 -0.16 0.00 -0.94 0.00 0.00 39.48 37.94 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 -2.34 0.62 0.10 4.37 2.08 0.24 -4.23 119.36 120.20 1wh4 n ILE 33 Ca -0.16 -0.64 -0.13 0.00 0.56 0.00 0.00 62.75 62.38 1wh4 n ILE 33 Cb 0.76 -0.21 -0.08 0.00 -0.75 0.00 0.00 39.64 39.35 1wh4 n ILE 33 CO 0.00 0.00 0.00 0.44 0.56 0.00 0.00 176.55 177.55 1wh4 h ASP 34 N 0.00 -0.19 -3.85 4.38 5.19 -1.36 0.29 116.42 120.87 1wh4 h ASP 34 Ca -0.25 -0.14 -0.46 0.00 -0.62 0.00 0.00 57.03 55.56 1wh4 h ASP 34 Cb 1.54 0.05 0.16 0.00 0.18 0.00 0.00 39.33 41.26 1wh4 h ASP 34 CO 0.01 0.03 0.18 -2.16 -3.12 0.00 0.00 179.24 174.19 1wh4 s PRO 35 N -5.39 0.45 -0.41 3.56 0.04 -1.26 -3.28 135.00 128.71 1wh4 s PRO 35 Ca -0.15 0.65 0.00 0.00 0.04 0.00 0.00 61.00 61.55 1wh4 s PRO 35 Cb 0.04 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.85 1wh4 s PRO 35 CO 0.63 -2.75 0.00 1.04 0.04 0.00 0.00 177.00 175.96 1wh4 n GLN 36 N -4.21 -1.78 -3.37 4.56 3.00 -1.26 -1.83 117.38 112.49 1wh4 n GLN 36 Ca 0.05 0.44 -0.23 0.00 -0.01 0.00 0.00 57.00 57.26 1wh4 n GLN 36 Cb 0.56 -4.32 -0.01 0.00 0.00 0.00 0.00 30.24 26.47 1wh4 n GLN 36 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1wh4 n GLU 37 N -0.14 -3.09 -0.28 -1.09 1.02 -1.20 -4.88 120.64 110.98 1wh4 n GLU 37 Ca -0.04 0.41 0.08 0.00 -0.02 0.00 0.00 57.16 57.60 1wh4 n GLU 37 Cb 0.34 -5.09 0.21 0.00 -0.02 0.00 0.00 31.44 26.88 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 -0.86 1.05 0.89 0.62 0.00 -0.54 -0.38 103.07 103.85 1wh4 h GLY 38 Ca -0.41 0.06 0.02 0.00 0.00 0.00 0.00 47.33 47.01 1wh4 h GLY 38 CO 0.52 -0.33 0.30 0.11 0.00 0.00 0.00 176.54 177.15 1wh4 h TRP 39 N 0.14 0.57 -0.88 5.60 5.08 -1.26 0.20 115.95 125.40 1wh4 h TRP 39 Ca 0.47 0.02 -0.02 0.00 1.08 0.00 0.00 58.89 60.44 1wh4 h TRP 39 Cb 0.89 -0.18 -0.04 0.00 -3.00 0.00 0.00 29.16 26.82 1wh4 h TRP 39 CO -0.37 0.33 0.48 -0.22 -1.28 0.00 0.00 178.44 177.38 1wh4 h LYS 40 N 0.61 1.23 -0.05 0.12 3.64 -1.38 -0.43 116.57 120.30 1wh4 h LYS 40 Ca 0.20 -0.14 -0.14 0.00 -1.27 0.00 0.00 60.65 59.30 1wh4 h LYS 40 Cb 0.01 -0.24 0.01 0.00 -0.41 0.00 0.00 32.23 31.60 1wh4 h LYS 40 CO -0.09 0.90 -0.50 0.87 -2.27 0.00 0.00 179.45 178.36 1wh4 h LYS 41 N 1.23 0.43 -0.24 1.90 1.57 -0.89 -2.79 116.57 117.79 1wh4 h LYS 41 Ca 0.31 -0.40 0.06 0.00 -1.87 0.00 0.00 60.65 58.75 1wh4 h LYS 41 Cb 0.03 0.10 -0.06 0.00 0.08 0.00 0.00 32.23 32.37 1wh4 h LYS 41 CO -0.05 1.04 -0.19 1.25 -0.57 0.00 0.00 179.45 180.94 1wh4 h LEU 42 N -0.04 -0.61 -0.15 2.94 7.12 -0.74 0.91 115.31 124.73 1wh4 h LEU 42 Ca -0.05 0.12 0.05 0.00 0.13 0.00 0.00 57.88 58.13 1wh4 h LEU 42 Cb 1.18 0.30 -0.07 0.00 -0.53 0.00 0.00 40.66 41.55 1wh4 h LEU 42 CO 0.10 -0.23 -0.35 0.00 -0.13 0.00 0.00 178.44 177.83 1wh4 h ALA 43 N 0.93 -0.42 0.00 1.25 0.00 -1.07 -0.42 119.26 119.53 1wh4 h ALA 43 Ca 0.13 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 1wh4 h ALA 43 Cb 0.39 0.67 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1wh4 h ALA 43 CO -0.35 -0.83 -0.34 -0.39 0.00 0.00 0.00 179.25 177.34 1wh4 h VAL 44 N -0.41 0.76 0.00 0.00 -1.51 -1.21 -2.56 116.25 111.31 1wh4 h VAL 44 Ca 0.10 -1.51 -0.06 0.00 -1.23 0.00 0.00 66.70 64.00 1wh4 h VAL 44 Cb 0.57 1.97 -0.01 0.00 -2.13 0.00 0.00 31.29 31.69 1wh4 h VAL 44 CO -0.38 0.34 -0.27 0.00 -1.23 0.00 0.00 177.57 176.03 1wh4 h ALA 45 N 1.66 1.08 -1.56 5.19 0.00 -0.07 -3.40 119.26 122.16 1wh4 h ALA 45 Ca -0.00 -0.24 -0.53 0.00 0.00 0.00 0.00 54.91 54.14 1wh4 h ALA 45 Cb 0.94 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.64 1wh4 h ALA 45 CO 0.04 0.33 1.24 0.42 0.00 0.00 0.00 179.25 181.28 1wh4 s ILE 46 N -3.77 3.54 0.39 0.00 1.01 -0.24 -4.99 121.20 117.14 1wh4 s ILE 46 Ca -0.00 0.41 -0.15 0.00 0.00 0.00 0.00 60.65 60.90 1wh4 s ILE 46 Cb 0.11 -4.16 -0.08 0.00 0.01 0.00 0.00 42.46 38.34 1wh4 s ILE 46 CO 0.65 -1.02 0.82 -0.54 0.00 0.00 0.00 174.94 174.84 1wh4 s LYS 47 N 6.25 3.96 0.89 2.79 3.01 -1.26 -1.05 119.74 134.33 1wh4 s LYS 47 Ca 0.61 0.72 -0.11 0.00 -1.01 0.00 0.00 55.97 56.18 1wh4 s LYS 47 Cb -0.13 -2.34 0.13 0.00 -1.01 0.00 0.00 37.83 34.49 1wh4 s LYS 47 CO 0.23 0.01 1.10 0.15 0.51 0.00 0.00 175.35 177.35 1wh4 s LYS 48 N -3.43 1.23 0.29 1.68 1.02 0.12 -4.65 119.74 116.00 1wh4 s LYS 48 Ca 0.55 1.19 0.21 0.00 0.02 0.00 0.00 55.97 57.95 1wh4 s LYS 48 Cb -0.10 -1.78 1.06 0.00 -0.52 0.00 0.00 37.83 36.49 1wh4 s LYS 48 CO 0.23 -2.37 1.65 -2.30 -0.92 0.00 0.00 175.35 171.64 1wh4 n PRO 49 N -4.02 0.15 0.00 -1.68 -0.02 -1.26 -0.87 135.00 127.30 1wh4 n PRO 49 Ca 0.09 0.56 0.12 0.00 -2.02 0.00 0.00 63.50 62.25 1wh4 n PRO 49 Cb 0.53 -1.91 0.30 0.00 -0.02 0.00 0.00 33.50 32.41 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 0.80 0.00 2.55 7.64 -1.26 -4.98 113.62 116.15 1wh4 n SER 50 Ca -0.00 -0.61 0.00 0.00 1.01 0.00 0.00 58.87 59.27 1wh4 n SER 50 Cb 0.10 0.21 0.00 0.00 -1.01 0.00 0.00 64.21 63.51 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 1.42 0.32 3.76 0.23 0.00 -0.05 -5.09 105.19 105.78 1wh4 n GLY 51 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.38 5.01 0.30 1.61 1.11 -1.26 -4.77 116.67 116.30 1wh4 s ASP 52 Ca 0.00 2.12 -0.30 0.00 0.18 0.00 0.00 52.55 54.56 1wh4 s ASP 52 Cb 0.00 -2.57 -0.11 0.00 1.07 0.00 0.00 42.92 41.31 1wh4 s ASP 52 CO 0.00 -1.70 1.60 -1.81 1.18 0.00 0.00 175.17 174.44 1wh4 s ASP 53 N -2.28 6.36 0.00 0.27 1.11 -1.26 0.12 116.67 120.99 1wh4 s ASP 53 Ca 0.70 2.97 -0.12 0.00 0.18 0.00 0.00 52.55 56.27 1wh4 s ASP 53 Cb -0.23 -2.64 -0.07 0.00 1.07 0.00 0.00 42.92 41.05 1wh4 s ASP 53 CO 0.39 -0.92 0.84 -0.09 1.18 0.00 0.00 175.17 176.57 1wh4 h ARG 54 N 4.78 -0.43 -5.55 8.23 2.43 -1.36 -3.42 114.38 119.07 1wh4 h ARG 54 Ca -0.47 0.03 -0.65 0.00 -0.81 0.00 0.00 59.98 58.08 1wh4 h ARG 54 Cb 1.22 0.10 -0.11 0.00 -0.42 0.00 0.00 29.97 30.75 1wh4 h ARG 54 CO 0.79 -0.28 -0.52 0.71 -1.51 0.00 0.00 179.97 179.15 1wh4 s TYR 55 N -3.37 3.41 0.47 2.20 2.02 -1.26 -4.99 117.35 115.83 1wh4 s TYR 55 Ca -0.06 0.33 0.00 0.00 -0.37 0.00 0.00 57.07 56.97 1wh4 s TYR 55 Cb 0.01 -1.98 0.00 0.00 -0.40 0.00 0.00 41.96 39.58 1wh4 s TYR 55 CO 0.19 0.48 0.02 0.09 -1.57 0.00 0.00 175.55 174.77 1wh4 n ASN 56 N 2.63 3.26 -0.27 2.29 3.02 -1.26 -4.45 115.26 120.48 1wh4 n ASN 56 Ca -0.18 -3.03 0.27 0.00 -0.03 0.00 0.00 54.58 51.60 1wh4 n ASN 56 Cb 0.54 0.31 0.63 0.00 -0.61 0.00 0.00 39.78 40.64 1wh4 n ASN 56 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 1wh4 h GLN 57 N 0.00 0.19 -0.31 3.52 4.20 -1.99 0.04 115.11 120.76 1wh4 h GLN 57 Ca -0.38 -0.01 0.07 0.00 0.06 0.00 0.00 58.65 58.38 1wh4 h GLN 57 Cb 1.18 -0.04 -0.08 0.00 0.30 0.00 0.00 27.48 28.83 1wh4 h GLN 57 CO 0.64 0.12 -0.33 0.35 -0.67 0.00 0.00 178.83 178.94 1wh4 h PHE 58 N 0.19 -0.92 0.00 2.96 3.57 -2.01 -1.67 116.94 119.07 1wh4 h PHE 58 Ca 0.52 0.05 -0.23 0.00 3.53 0.00 0.00 57.97 61.84 1wh4 h PHE 58 Cb 1.69 0.45 0.01 0.00 2.79 0.00 0.00 35.95 40.88 1wh4 h PHE 58 CO -0.00 -0.39 -0.97 0.45 -2.23 0.00 0.00 178.31 175.17 1wh4 h HIS 59 N -0.31 0.67 -0.16 0.41 3.86 -1.41 -3.24 115.15 114.98 1wh4 h HIS 59 Ca 0.14 -0.37 0.05 0.00 -1.16 0.00 0.00 60.37 59.03 1wh4 h HIS 59 Cb 0.54 -0.07 -0.05 0.00 1.06 0.00 0.00 27.41 28.88 1wh4 h HIS 59 CO -0.50 1.19 -0.18 0.82 0.86 0.00 0.00 177.93 180.13 1wh4 h ILE 60 N 0.25 0.53 -0.73 2.45 1.08 -1.07 -1.07 117.51 118.96 1wh4 h ILE 60 Ca -0.09 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.40 1wh4 h ILE 60 Cb 1.61 0.53 -0.04 0.00 -3.07 0.00 0.00 36.82 35.85 1wh4 h ILE 60 CO 0.17 0.00 0.48 0.03 -0.69 0.00 0.00 178.15 178.14 1wh4 h ARG 61 N -0.21 0.91 -0.93 2.37 2.47 -1.40 0.24 114.38 117.83 1wh4 h ARG 61 Ca 0.11 -0.05 0.08 0.00 -1.26 0.00 0.00 59.98 58.85 1wh4 h ARG 61 Cb 0.37 -0.21 -0.06 0.00 -1.65 0.00 0.00 29.97 28.42 1wh4 h ARG 61 CO -0.28 0.60 0.60 -0.09 0.56 0.00 0.00 179.97 181.36 1wh4 h ARG 62 N 0.94 1.00 -0.00 0.04 2.43 -1.26 -0.96 114.38 116.55 1wh4 h ARG 62 Ca 0.28 -0.06 -0.26 0.00 -0.81 0.00 0.00 59.98 59.13 1wh4 h ARG 62 Cb -0.04 -0.22 0.02 0.00 -0.42 0.00 0.00 29.97 29.30 1wh4 h ARG 62 CO -0.07 0.66 -1.01 0.74 -1.51 0.00 0.00 179.97 178.78 1wh4 h PHE 63 N 1.03 0.94 -0.95 2.20 0.04 -0.07 -3.32 116.94 116.80 1wh4 h PHE 63 Ca 0.41 -0.51 0.09 0.00 2.80 0.00 0.00 57.97 60.76 1wh4 h PHE 63 Cb 0.26 -0.11 -0.07 0.00 2.20 0.00 0.00 35.95 38.23 1wh4 h PHE 63 CO -0.00 1.34 0.60 0.93 -0.60 0.00 0.00 178.31 180.58 1wh4 h GLU 64 N 0.36 1.00 -0.21 1.51 5.08 0.14 -0.97 114.58 121.50 1wh4 h GLU 64 Ca -0.12 -0.06 0.06 0.00 -1.00 0.00 0.00 59.36 58.24 1wh4 h GLU 64 Cb 1.66 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 30.68 1wh4 h GLU 64 CO 0.19 0.66 0.42 0.00 -1.00 0.00 0.00 179.01 179.29 1wh4 h ALA 65 N 1.47 1.75 0.30 3.43 0.00 -1.30 0.07 119.26 124.98 1wh4 h ALA 65 Ca 0.44 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.33 1wh4 h ALA 65 Cb 0.29 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1wh4 h ALA 65 CO -0.21 -0.53 -0.14 -0.07 0.00 0.00 0.00 179.25 178.30 1wh4 h LEU 66 N 0.00 -0.34 -2.53 0.00 3.38 -1.34 -3.33 115.31 111.15 1wh4 h LEU 66 Ca 0.10 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1wh4 h LEU 66 Cb 0.94 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.78 1wh4 h LEU 66 CO -0.00 -0.00 -0.01 0.17 0.09 0.00 0.00 178.44 178.68 1wh4 h LEU 67 N -0.89 0.00 0.80 1.67 8.10 -0.61 0.22 115.31 124.60 1wh4 h LEU 67 Ca -0.04 0.00 -0.04 0.00 0.11 0.00 0.00 57.88 57.91 1wh4 h LEU 67 Cb 0.31 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 40.54 1wh4 h LEU 67 CO 0.07 0.01 -0.38 1.56 -4.11 0.00 0.00 178.44 175.59 1wh4 h GLN 68 N 0.00 -1.03 0.00 0.17 1.08 -1.29 -3.15 115.11 110.88 1wh4 h GLN 68 Ca -0.00 0.07 -0.10 0.00 -1.45 0.00 0.00 58.65 57.17 1wh4 h GLN 68 Cb 0.05 0.23 -0.01 0.00 -0.05 0.00 0.00 27.48 27.70 1wh4 h GLN 68 CO 0.00 -0.69 -0.45 0.00 -0.95 0.00 0.00 178.83 176.74 1wh4 h THR 69 N -1.26 1.13 0.00 -0.54 1.03 -1.59 -3.47 112.91 108.21 1wh4 h THR 69 Ca -0.11 -1.67 0.00 0.00 -0.01 0.00 0.00 66.41 64.62 1wh4 h THR 69 Cb 0.82 1.95 0.00 0.00 -1.07 0.00 0.00 68.15 69.85 1wh4 h THR 69 CO 0.18 0.44 0.00 0.61 -0.01 0.00 0.00 175.52 176.74 1wh4 n GLY 70 N 0.11 0.30 3.73 2.99 0.00 -0.23 -5.12 105.19 106.97 1wh4 n GLY 70 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 4.39 0.01 1.61 1.02 -0.10 -4.86 119.74 121.81 1wh4 s LYS 71 Ca 0.00 1.97 -0.30 0.00 0.02 0.00 0.00 55.97 57.66 1wh4 s LYS 71 Cb 0.00 -3.25 -0.09 0.00 -0.52 0.00 0.00 37.83 33.97 1wh4 s LYS 71 CO 0.00 -0.28 2.00 0.43 -0.92 0.00 0.00 175.35 176.58 1wh4 n SER 72 N 3.27 4.07 0.11 2.83 7.64 -1.26 -2.28 113.62 127.99 1wh4 n SER 72 Ca 0.08 0.84 -0.04 0.00 1.01 0.00 0.00 58.87 60.76 1wh4 n SER 72 Cb 0.44 -1.53 0.08 0.00 -1.01 0.00 0.00 64.21 62.19 1wh4 n SER 72 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1wh4 h PRO 73 N 10.99 0.07 -0.15 1.43 0.13 -1.90 -3.21 132.00 139.35 1wh4 h PRO 73 Ca -0.49 -0.07 0.04 0.00 -0.87 0.00 0.00 66.00 64.61 1wh4 h PRO 73 Cb 1.24 0.02 -0.04 0.00 0.13 0.00 0.00 31.00 32.34 1wh4 h PRO 73 CO 0.94 0.77 -0.11 1.15 -0.23 0.00 0.00 178.00 180.52 1wh4 h THR 74 N 0.05 0.67 0.05 1.56 2.02 -1.92 0.14 112.91 115.48 1wh4 h THR 74 Ca -0.01 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.17 1wh4 h THR 74 Cb 1.28 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 68.35 1wh4 h THR 74 CO 0.10 0.00 -0.08 0.00 0.37 0.00 0.00 175.52 175.91 1wh4 h GLU 76 N -0.16 0.21 -0.06 0.00 4.39 -1.47 -0.66 114.58 116.83 1wh4 h GLU 76 Ca 0.01 -0.04 0.01 0.00 0.34 0.00 0.00 59.36 59.68 1wh4 h GLU 76 Cb 0.17 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 1wh4 h GLU 76 CO -0.04 0.33 -0.02 1.25 -1.16 0.00 0.00 179.01 179.36 1wh4 h LEU 77 N 0.06 -0.07 -0.36 1.33 5.85 -0.63 0.29 115.31 121.79 1wh4 h LEU 77 Ca 0.05 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.79 1wh4 h LEU 77 Cb 0.20 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 1wh4 h LEU 77 CO -0.00 -0.03 0.23 -0.07 -0.34 0.00 0.00 178.44 178.23 1wh4 h LEU 78 N -0.01 0.38 -0.95 2.25 3.38 -0.97 -1.34 115.31 118.05 1wh4 h LEU 78 Ca 0.03 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 1wh4 h LEU 78 Cb 0.05 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1wh4 h LEU 78 CO -0.07 0.28 -0.48 0.15 0.09 0.00 0.00 178.44 178.41 1wh4 h PHE 79 N 0.46 0.12 0.11 1.13 3.57 -0.73 0.34 116.94 121.94 1wh4 h PHE 79 Ca 0.14 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 1wh4 h PHE 79 Cb -0.03 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.68 1wh4 h PHE 79 CO -0.06 0.56 -0.05 0.22 -2.23 0.00 0.00 178.31 176.75 1wh4 h ASP 80 N 0.08 -0.13 0.21 0.41 3.58 -0.29 -2.99 116.42 117.29 1wh4 h ASP 80 Ca 0.00 -0.29 -0.01 0.00 0.42 0.00 0.00 57.03 57.15 1wh4 h ASP 80 Cb 0.88 0.03 -0.00 0.00 1.72 0.00 0.00 39.33 41.97 1wh4 h ASP 80 CO 0.07 0.23 -0.04 -0.25 -2.88 0.00 0.00 179.24 176.37 1wh4 h TRP 81 N -0.51 0.00 -0.11 0.28 7.01 -1.08 -0.41 115.95 121.14 1wh4 h TRP 81 Ca -0.02 0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.02 1wh4 h TRP 81 Cb 0.41 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 27.47 1wh4 h TRP 81 CO 0.04 0.04 0.25 0.78 -2.79 0.00 0.00 178.44 176.76 1wh4 h GLY 82 N 0.46 0.00 2.00 2.65 0.00 -0.77 0.11 103.07 107.52 1wh4 h GLY 82 Ca -0.00 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.15 1wh4 h GLY 82 CO 0.01 0.00 -0.87 0.00 0.00 0.00 0.00 176.54 175.67 1wh4 h THR 83 N 0.00 1.53 -0.05 4.70 1.03 -1.17 -3.39 112.91 115.56 1wh4 h THR 83 Ca 0.05 -3.09 0.00 0.00 -0.01 0.00 0.00 66.41 63.36 1wh4 h THR 83 Cb 0.54 2.71 0.00 0.00 -1.07 0.00 0.00 68.15 70.34 1wh4 h THR 83 CO -0.00 0.86 0.00 0.41 -0.01 0.00 0.00 175.52 176.78 1wh4 n THR 84 N -3.36 0.10 -1.39 0.00 -1.04 0.40 -4.87 114.28 104.11 1wh4 n THR 84 Ca 0.00 -0.08 -0.06 0.00 -2.04 0.00 0.00 64.05 61.87 1wh4 n THR 84 Cb 0.87 -0.05 -0.02 0.00 -1.82 0.00 0.00 70.33 69.31 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 -0.27 -3.46 -4.99 8.00 4.13 -1.25 -5.04 115.26 112.38 1wh4 n ASN 85 Ca 0.02 0.12 -0.19 0.00 1.68 0.00 0.00 54.58 56.20 1wh4 n ASN 85 Cb 0.09 -1.81 0.02 0.00 -1.54 0.00 0.00 39.78 36.55 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 -2.52 0.64 0.31 0.00 -4.23 -1.26 -3.82 115.64 104.76 1wh4 s THR 87 Ca 0.54 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 59.06 1wh4 s THR 87 Cb -0.07 -2.44 0.28 0.00 1.34 0.00 0.00 72.50 71.61 1wh4 s THR 87 CO 0.33 0.00 1.93 0.58 -0.54 0.00 0.00 174.62 176.92 1wh4 h VAL 88 N 1.90 1.09 -0.70 2.29 2.07 -0.56 -1.35 116.25 120.99 1wh4 h VAL 88 Ca -0.36 -0.34 -0.03 0.00 0.82 0.00 0.00 66.70 66.79 1wh4 h VAL 88 Cb 1.27 -0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 1wh4 h VAL 88 CO 0.58 0.18 0.33 1.23 0.02 0.00 0.00 177.57 179.91 1wh4 h GLY 89 N 1.00 1.09 0.96 2.17 0.00 -1.26 -0.27 103.07 106.76 1wh4 h GLY 89 Ca 0.36 -0.55 -0.00 0.00 0.00 0.00 0.00 47.33 47.14 1wh4 h GLY 89 CO -0.12 0.52 0.04 -0.55 0.00 0.00 0.00 176.54 176.42 1wh4 h ASP 90 N 0.98 0.07 0.05 0.19 3.32 -1.67 -2.08 116.42 117.28 1wh4 h ASP 90 Ca 0.24 -0.05 0.03 0.00 0.02 0.00 0.00 57.03 57.27 1wh4 h ASP 90 Cb 0.13 -0.02 -0.05 0.00 0.22 0.00 0.00 39.33 39.62 1wh4 h ASP 90 CO -0.03 0.10 -0.32 0.25 -1.72 0.00 0.00 179.24 177.52 1wh4 h LEU 91 N 0.04 -0.95 -0.49 1.55 5.85 -0.77 -1.75 115.31 118.80 1wh4 h LEU 91 Ca 0.02 0.12 0.10 0.00 0.84 0.00 0.00 57.88 58.96 1wh4 h LEU 91 Cb 0.04 0.37 -0.09 0.00 0.37 0.00 0.00 40.66 41.35 1wh4 h LEU 91 CO -0.00 -0.40 -0.13 0.58 -0.34 0.00 0.00 178.44 178.15 1wh4 h VAL 92 N -0.51 0.50 -0.71 1.05 2.07 -1.02 0.94 116.25 118.58 1wh4 h VAL 92 Ca 0.05 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.65 1wh4 h VAL 92 Cb 0.57 0.50 -0.07 0.00 -1.52 0.00 0.00 31.29 30.78 1wh4 h VAL 92 CO -0.23 0.00 0.38 -0.78 0.02 0.00 0.00 177.57 176.96 1wh4 h ASP 93 N -0.01 0.53 -0.08 0.57 3.58 -0.61 0.47 116.42 120.87 1wh4 h ASP 93 Ca 0.23 0.05 -0.22 0.00 0.42 0.00 0.00 57.03 57.51 1wh4 h ASP 93 Cb 0.36 -0.05 0.01 0.00 1.72 0.00 0.00 39.33 41.37 1wh4 h ASP 93 CO -0.51 0.32 -0.81 -0.07 -2.88 0.00 0.00 179.24 175.30 1wh4 h LEU 94 N 0.67 0.89 -0.38 2.28 3.38 -0.96 -2.87 115.31 118.32 1wh4 h LEU 94 Ca 0.34 -0.60 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 1wh4 h LEU 94 Cb 0.30 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1wh4 h LEU 94 CO -0.23 1.39 0.15 -0.07 0.09 0.00 0.00 178.44 179.77 1wh4 h LEU 95 N 0.49 0.53 -0.90 1.67 3.38 0.40 -1.95 115.31 118.93 1wh4 h LEU 95 Ca -0.06 -0.17 0.04 0.00 0.09 0.00 0.00 57.88 57.78 1wh4 h LEU 95 Cb 1.43 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.99 1wh4 h LEU 95 CO 0.16 0.55 0.58 0.58 0.09 0.00 0.00 178.44 180.41 1wh4 h VAL 96 N 0.47 1.14 -0.93 1.22 2.07 -1.05 -0.05 116.25 119.11 1wh4 h VAL 96 Ca 0.13 -0.39 0.08 0.00 0.82 0.00 0.00 66.70 67.34 1wh4 h VAL 96 Cb 0.19 -0.08 -0.06 0.00 -1.52 0.00 0.00 31.29 29.82 1wh4 h VAL 96 CO -0.01 0.21 0.60 -0.61 0.02 0.00 0.00 177.57 177.78 1wh4 h GLN 97 N 1.13 1.00 -0.30 1.57 4.15 -1.14 -1.32 115.11 120.21 1wh4 h GLN 97 Ca 0.36 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.72 1wh4 h GLN 97 Cb 0.02 -0.23 0.00 0.00 0.21 0.00 0.00 27.48 27.48 1wh4 h GLN 97 CO -0.12 0.66 0.00 0.44 -1.93 0.00 0.00 178.83 177.88 1wh4 n ILE 98 N -4.51 0.39 -1.23 2.39 -5.35 -0.82 -4.91 119.36 105.33 1wh4 n ILE 98 Ca 0.15 -0.44 -0.08 0.00 -0.27 0.00 0.00 62.75 62.11 1wh4 n ILE 98 Cb 0.23 0.29 -0.03 0.00 -1.74 0.00 0.00 39.64 38.38 1wh4 n ILE 98 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 1wh4 n GLU 99 N 0.49 -0.66 -2.80 6.28 2.13 -0.50 -4.96 120.64 120.62 1wh4 n GLU 99 Ca 0.14 0.75 -0.43 0.00 0.66 0.00 0.00 57.16 58.27 1wh4 n GLU 99 Cb 0.32 -4.61 0.00 0.00 0.27 0.00 0.00 31.44 27.42 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 -0.92 6.07 -0.03 4.31 7.99 -0.08 -4.80 117.00 129.55 1wh4 n LEU 100 Ca -0.08 -4.79 -0.13 0.00 -0.01 0.00 0.00 56.01 51.00 1wh4 n LEU 100 Cb 0.29 -1.47 -0.09 0.00 -0.11 0.00 0.00 43.42 42.04 1wh4 n LEU 100 CO 0.12 1.29 0.62 -0.26 -1.51 0.00 0.00 177.39 177.65 1wh4 h PHE 101 N 6.16 0.12 -0.92 -1.77 0.04 -1.90 -3.10 116.94 115.57 1wh4 h PHE 101 Ca 0.30 -0.04 0.16 0.00 2.80 0.00 0.00 57.97 61.19 1wh4 h PHE 101 Cb 0.72 -0.02 -0.16 0.00 2.20 0.00 0.00 35.95 38.69 1wh4 h PHE 101 CO 1.08 0.57 -0.33 0.00 -0.60 0.00 0.00 178.31 179.03 1wh4 h ALA 102 N 0.53 0.27 -0.16 2.45 0.00 -1.97 0.33 119.26 120.71 1wh4 h ALA 102 Ca 0.01 0.29 -0.21 0.00 0.00 0.00 0.00 54.91 55.00 1wh4 h ALA 102 Cb 0.55 0.88 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1wh4 h ALA 102 CO 0.01 -0.56 -0.71 -1.00 0.00 0.00 0.00 179.25 176.99 1wh4 h PRO 103 N -0.03 0.71 -0.91 0.00 0.13 -1.94 -1.58 132.00 128.39 1wh4 h PRO 103 Ca 0.36 -0.55 0.16 0.00 -0.87 0.00 0.00 66.00 65.10 1wh4 h PRO 103 Cb 0.62 0.10 -0.10 0.00 0.13 0.00 0.00 31.00 31.75 1wh4 h PRO 103 CO -0.94 1.17 0.50 0.00 -0.23 0.00 0.00 178.00 178.50 1wh4 h ALA 104 N 0.69 1.42 -0.01 -0.56 0.00 -1.06 -2.06 119.26 117.68 1wh4 h ALA 104 Ca -0.03 0.08 -0.23 0.00 0.00 0.00 0.00 54.91 54.73 1wh4 h ALA 104 Cb 1.32 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.08 1wh4 h ALA 104 CO 0.14 -0.07 -0.95 1.15 0.00 0.00 0.00 179.25 179.53 1wh4 h THR 105 N 0.68 1.37 -0.72 0.00 2.02 -0.25 0.18 112.91 116.20 1wh4 h THR 105 Ca 0.51 -2.38 -0.04 0.00 0.77 0.00 0.00 66.41 65.26 1wh4 h THR 105 Cb 0.74 2.39 -0.03 0.00 -1.74 0.00 0.00 68.15 69.50 1wh4 h THR 105 CO -0.37 0.72 0.28 0.25 0.37 0.00 0.00 175.52 176.77 1wh4 h LEU 106 N 0.28 0.97 0.03 2.58 5.85 -0.82 -1.38 115.31 122.82 1wh4 h LEU 106 Ca -0.09 -0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.49 1wh4 h LEU 106 Cb 1.59 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 42.37 1wh4 h LEU 106 CO 0.17 0.87 -0.01 -0.07 -0.34 0.00 0.00 178.44 179.05 1wh4 h LEU 107 N 1.04 -0.03 -6.43 2.25 3.38 -1.28 -3.43 115.31 110.80 1wh4 h LEU 107 Ca 0.24 -0.59 -0.30 0.00 0.09 0.00 0.00 57.88 57.32 1wh4 h LEU 107 Cb 0.20 0.01 -0.32 0.00 0.09 0.00 0.00 40.66 40.64 1wh4 h LEU 107 CO -0.02 0.60 -0.62 -0.76 0.09 0.00 0.00 178.44 177.73 1wh4 s LEU 108 N -8.92 -0.37 0.13 1.67 1.43 0.63 -3.47 118.68 109.78 1wh4 s LEU 108 Ca -0.16 -0.77 0.24 0.00 -1.03 0.00 0.00 54.13 52.41 1wh4 s LEU 108 Cb 0.00 0.68 0.93 0.00 0.03 0.00 0.00 46.19 47.84 1wh4 s LEU 108 CO 0.64 -0.36 1.75 -0.81 0.23 0.00 0.00 176.35 177.80 1wh4 n PRO 109 N 5.17 0.14 0.03 1.29 -0.04 -0.54 -3.25 135.00 137.80 1wh4 n PRO 109 Ca 0.01 0.21 -0.16 0.00 -0.04 0.00 0.00 63.50 63.52 1wh4 n PRO 109 Cb 0.47 -1.69 -0.14 0.00 -0.04 0.00 0.00 33.50 32.10 1wh4 n PRO 109 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1wh4 h ASP 110 N 0.00 0.30 -0.37 3.54 3.58 -1.92 -3.40 116.42 118.15 1wh4 h ASP 110 Ca 0.00 -0.50 -0.12 0.00 0.42 0.00 0.00 57.03 56.83 1wh4 h ASP 110 Cb 0.51 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.45 1wh4 h ASP 110 CO 0.00 1.43 -0.20 0.00 -2.88 0.00 0.00 179.24 177.59 1wh4 h ALA 111 N 0.52 0.82 -2.86 -0.78 0.00 -1.92 -3.46 119.26 111.59 1wh4 h ALA 111 Ca -0.28 -0.37 -0.53 0.00 0.00 0.00 0.00 54.91 53.73 1wh4 h ALA 111 Cb 2.01 -0.16 0.11 0.00 0.00 0.00 0.00 17.79 19.75 1wh4 h ALA 111 CO 0.13 0.65 0.52 0.54 0.00 0.00 0.00 179.25 181.09 1wh4 s VAL 112 N -4.66 2.58 0.00 0.00 0.11 -1.26 -4.89 120.40 112.28 1wh4 s VAL 112 Ca -0.10 0.41 -0.01 0.00 -2.93 0.00 0.00 61.98 59.35 1wh4 s VAL 112 Cb 0.13 -3.19 -0.05 0.00 -1.53 0.00 0.00 36.38 31.73 1wh4 s VAL 112 CO 0.85 -0.03 1.88 -0.81 -3.33 0.00 0.00 175.10 173.65 1wh4 n PRO 113 N -1.05 0.96 -4.38 1.54 -0.04 -1.26 -4.75 135.00 126.02 1wh4 n PRO 113 Ca 0.11 -0.20 -0.19 0.00 -0.04 0.00 0.00 63.50 63.18 1wh4 n PRO 113 Cb 0.47 -1.32 -0.10 0.00 -0.04 0.00 0.00 33.50 32.52 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 0.74 1.57 0.13 0.54 0.74 -1.26 -5.16 119.66 116.96 1wh4 s GLN 114 Ca 0.13 -1.88 0.04 0.00 0.05 0.00 0.00 55.36 53.70 1wh4 s GLN 114 Cb 0.06 -0.41 -0.04 0.00 1.10 0.00 0.00 33.01 33.72 1wh4 s GLN 114 CO 0.00 -0.32 0.13 -0.08 -0.55 0.00 0.00 175.29 174.47 1wh4 s THR 115 N -3.55 4.60 0.14 -0.34 -1.32 -1.26 -4.98 115.64 108.93 1wh4 s THR 115 Ca 0.35 -0.92 0.02 0.00 -1.21 0.00 0.00 61.69 59.93 1wh4 s THR 115 Cb 0.07 -3.31 -0.01 0.00 -1.51 0.00 0.00 72.50 67.75 1wh4 s THR 115 CO 0.15 -0.02 0.07 1.33 -2.21 0.00 0.00 174.62 173.93 1wh4 n VAL 116 N -0.09 0.00 -3.67 5.08 0.24 -1.26 -5.19 118.33 113.44 1wh4 n VAL 116 Ca -0.08 -0.86 -0.07 0.00 -2.04 0.00 0.00 64.34 61.29 1wh4 n VAL 116 Cb 0.53 0.34 0.00 0.00 -1.47 0.00 0.00 33.84 33.25 1wh4 n VAL 116 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 1wh4 n LYS 117 N -0.30 0.63 -4.14 7.34 0.00 -1.26 -5.19 118.16 115.24 1wh4 n LYS 117 Ca -0.01 -1.62 -0.13 0.00 -0.00 0.00 0.00 58.31 56.55 1wh4 n LYS 117 Cb 0.22 1.80 -0.11 0.00 -0.00 0.00 0.00 35.03 36.94 1wh4 n LYS 117 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 1wh4 s SER 118 N -2.39 1.21 0.02 -5.58 0.01 -1.26 -5.16 113.70 100.55 1wh4 s SER 118 Ca 0.14 -0.77 -0.00 0.00 1.31 0.00 0.00 55.95 56.63 1wh4 s SER 118 Cb -0.02 0.04 -0.02 0.00 0.21 0.00 0.00 66.02 66.22 1wh4 s SER 118 CO 0.10 -0.29 -0.03 -0.76 0.41 0.00 0.00 173.24 172.67 1wh4 s LEU 119 N -2.30 2.27 0.56 2.44 1.43 -1.26 -5.15 118.68 116.67 1wh4 s LEU 119 Ca 0.02 -0.56 -0.19 0.00 -1.03 0.00 0.00 54.13 52.36 1wh4 s LEU 119 Cb -0.03 0.10 -0.05 0.00 0.03 0.00 0.00 46.19 46.24 1wh4 s LEU 119 CO -0.01 -0.33 1.17 -2.16 0.23 0.00 0.00 176.35 175.24 1wh4 s PRO 120 N -1.77 3.18 0.22 1.29 0.04 -1.26 -4.98 135.00 131.71 1wh4 s PRO 120 Ca -0.13 1.72 -0.30 0.00 0.04 0.00 0.00 61.00 62.33 1wh4 s PRO 120 Cb -0.08 -1.98 -0.09 0.00 0.04 0.00 0.00 34.50 32.40 1wh4 s PRO 120 CO -0.02 -1.01 1.16 -1.25 0.04 0.00 0.00 177.00 175.92 1wh4 s PRO 121 N -3.29 4.54 0.29 0.56 0.04 -1.26 -4.93 135.00 130.95 1wh4 s PRO 121 Ca 0.75 1.86 0.01 0.00 0.04 0.00 0.00 61.00 63.66 1wh4 s PRO 121 Cb -0.27 -3.22 0.45 0.00 0.04 0.00 0.00 34.50 31.50 1wh4 s PRO 121 CO 0.30 0.01 1.80 0.77 0.04 0.00 0.00 177.00 179.92 1wh4 h SER 122 N 4.70 0.60 -6.83 6.66 0.02 -2.07 -3.48 113.55 113.15 1wh4 h SER 122 Ca -0.45 -0.14 -0.55 0.00 -0.84 0.00 0.00 61.79 59.81 1wh4 h SER 122 Cb 1.21 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.59 1wh4 h SER 122 CO 0.71 0.71 -1.03 0.61 -1.14 0.00 0.00 176.83 176.69 1wh4 n GLY 123 N -0.68 -1.03 3.59 -3.77 0.00 -1.26 -4.70 105.19 97.34 1wh4 n GLY 123 Ca 0.02 0.44 -0.42 0.00 0.00 0.00 0.00 46.02 46.06 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 -6.41 3.34 -0.19 1.61 0.04 -1.26 -4.93 135.00 127.19 1wh4 s PRO 124 Ca 0.31 1.03 -0.04 0.00 0.04 0.00 0.00 61.00 62.33 1wh4 s PRO 124 Cb -0.16 -4.15 0.09 0.00 0.04 0.00 0.00 34.50 30.32 1wh4 s PRO 124 CO 0.94 -1.86 0.26 -1.54 0.04 0.00 0.00 177.00 174.84 1wh4 s SER 125 N 5.31 0.87 0.34 6.66 1.04 -1.26 -5.10 113.70 121.55 1wh4 s SER 125 Ca 0.68 0.09 0.00 0.00 0.48 0.00 0.00 55.95 57.20 1wh4 s SER 125 Cb -0.17 0.62 0.00 0.00 0.10 0.00 0.00 66.02 66.57 1wh4 s SER 125 CO 0.31 -0.30 0.00 -1.20 0.98 0.00 0.00 173.24 173.03 1wh4 n SER 126 N 5.34 -5.89 0.00 7.02 7.64 -1.26 -5.27 113.62 121.20 1wh4 n SER 126 Ca -0.05 0.90 0.00 0.00 1.01 0.00 0.00 58.87 60.73 1wh4 n SER 126 Cb 0.50 -2.65 0.00 0.00 -1.01 0.00 0.00 64.21 61.05 1wh4 n SER 126 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64