#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 4phv s GLN 2 N 0.00 2.58 -0.19 0.54 0.74 -1.26 -5.11 119.66 116.96 4phv s GLN 2 Ca 0.00 -1.07 -0.07 0.00 0.05 0.00 0.00 55.36 54.27 4phv s GLN 2 Cb 0.00 -2.71 -0.04 0.00 1.10 0.00 0.00 33.01 31.37 4phv s GLN 2 CO 0.00 -0.39 0.05 0.42 -0.55 0.00 0.00 175.29 174.82 4phv s ILE 3 N 1.21 4.56 0.55 -2.34 1.01 -1.26 -5.11 121.20 119.83 4phv s ILE 3 Ca -0.02 -0.11 -0.00 0.00 0.00 0.00 0.00 60.65 60.52 4phv s ILE 3 Cb -0.16 -3.07 0.03 0.00 0.01 0.00 0.00 42.46 39.27 4phv s ILE 3 CO -0.09 0.44 0.79 0.42 0.00 0.00 0.00 174.94 176.50 4phv s THR 4 N 0.62 2.91 -0.22 2.92 -4.23 -1.26 -5.04 115.64 111.34 4phv s THR 4 Ca 0.02 -0.56 0.13 0.00 -1.18 0.00 0.00 61.69 60.10 4phv s THR 4 Cb -0.13 -3.11 0.46 0.00 1.34 0.00 0.00 72.50 71.06 4phv s THR 4 CO 0.02 -0.08 1.36 0.18 -0.54 0.00 0.00 174.62 175.55 4phv n LEU 5 N -2.37 3.52 0.23 4.79 4.77 -1.26 -4.55 117.00 122.12 4phv n LEU 5 Ca 0.07 -3.50 0.08 0.00 -0.03 0.00 0.00 56.01 52.63 4phv n LEU 5 Cb 0.59 -0.56 0.56 0.00 -2.33 0.00 0.00 43.42 41.68 4phv n LEU 5 CO 0.47 1.05 0.88 -0.50 -1.33 0.00 0.00 177.39 177.96 4phv h TRP 6 N 1.01 0.00 -2.51 -1.77 4.06 -2.06 -3.43 115.95 111.26 4phv h TRP 6 Ca 0.09 0.00 -0.52 0.00 2.06 0.00 0.00 58.89 60.52 4phv h TRP 6 Cb 1.38 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.41 4phv h TRP 6 CO 0.68 0.21 -0.58 -0.65 -3.56 0.00 0.00 178.44 174.53 4phv s GLN 7 N -4.27 1.78 0.21 0.49 -0.21 -1.26 -5.11 119.66 111.29 4phv s GLN 7 Ca -0.03 -2.03 -0.31 0.00 0.02 0.00 0.00 55.36 53.02 4phv s GLN 7 Cb 0.14 -0.93 -0.10 0.00 1.00 0.00 0.00 33.01 33.12 4phv s GLN 7 CO 0.65 -0.25 1.48 1.03 -2.12 0.00 0.00 175.29 176.08 4phv s ARG 8 N -3.84 4.25 -1.06 2.91 0.52 -1.26 -4.86 118.95 115.61 4phv s ARG 8 Ca 0.31 2.30 -0.20 0.00 -0.52 0.00 0.00 55.73 57.62 4phv s ARG 8 Cb 0.07 -3.14 -0.08 0.00 0.52 0.00 0.00 34.95 32.32 4phv s ARG 8 CO 0.15 -0.49 1.96 -0.35 0.02 0.00 0.00 175.30 176.59 4phv n PRO 9 N 3.07 1.98 -3.09 3.54 -0.04 -1.26 -4.94 135.00 134.26 4phv n PRO 9 Ca 0.10 -2.31 -0.39 0.00 -0.04 0.00 0.00 63.50 60.85 4phv n PRO 9 Cb 0.40 -3.26 -0.06 0.00 -0.04 0.00 0.00 33.50 30.54 4phv n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 4phv s LEU 10 N 4.15 4.53 0.13 1.53 1.43 -1.26 -1.45 118.68 127.74 4phv s LEU 10 Ca 0.58 1.45 0.01 0.00 -1.03 0.00 0.00 54.13 55.15 4phv s LEU 10 Cb 0.09 -3.13 -0.04 0.00 0.03 0.00 0.00 46.19 43.14 4phv s LEU 10 CO 0.08 0.18 -0.03 0.68 0.23 0.00 0.00 176.35 177.50 4phv s VAL 11 N -0.85 0.62 0.06 -1.59 -7.23 0.16 -4.94 120.40 106.64 4phv s VAL 11 Ca 0.34 -1.95 -0.18 0.00 -1.81 0.00 0.00 61.98 58.39 4phv s VAL 11 Cb -0.21 -1.88 -0.06 0.00 0.56 0.00 0.00 36.38 34.79 4phv s VAL 11 CO 0.23 -0.69 0.52 -0.89 -0.31 0.00 0.00 175.10 173.96 4phv s THR 12 N -3.68 4.83 0.21 5.32 2.01 -1.26 -0.72 115.64 122.34 4phv s THR 12 Ca 0.17 1.08 0.08 0.00 0.31 0.00 0.00 61.69 63.34 4phv s THR 12 Cb 0.06 -3.83 -0.05 0.00 0.01 0.00 0.00 72.50 68.69 4phv s THR 12 CO -0.01 0.53 -0.16 0.27 -0.69 0.00 0.00 174.62 174.56 4phv s ILE 13 N -1.14 1.82 -0.11 1.82 -4.36 0.16 -2.59 121.20 116.80 4phv s ILE 13 Ca 0.28 -2.18 0.02 0.00 -0.26 0.00 0.00 60.65 58.51 4phv s ILE 13 Cb -0.18 -2.03 0.01 0.00 1.25 0.00 0.00 42.46 41.51 4phv s ILE 13 CO 0.18 -0.53 -0.16 -0.75 0.24 0.00 0.00 174.94 173.92 4phv s LYS 14 N -3.48 2.31 -0.05 0.37 2.20 0.34 -1.60 119.74 119.83 4phv s LYS 14 Ca 0.22 -0.60 -0.03 0.00 -0.36 0.00 0.00 55.97 55.20 4phv s LYS 14 Cb -0.02 -1.95 0.03 0.00 -1.51 0.00 0.00 37.83 34.37 4phv s LYS 14 CO 0.08 -0.06 0.13 -1.50 -0.36 0.00 0.00 175.35 173.64 4phv s ILE 15 N 0.97 -0.03 -1.45 5.43 2.07 0.72 -1.64 121.20 127.26 4phv s ILE 15 Ca -0.07 0.11 -0.10 0.00 -1.41 0.00 0.00 60.65 59.19 4phv s ILE 15 Cb -0.15 -0.21 0.04 0.00 0.13 0.00 0.00 42.46 42.28 4phv s ILE 15 CO -0.02 0.05 0.96 0.61 -1.91 0.00 0.00 174.94 174.63 4phv n GLY 16 N 3.74 -0.52 2.73 1.50 0.00 -1.26 -0.75 105.19 110.63 4phv n GLY 16 Ca -0.21 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.01 4phv n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 4phv n GLY 17 N -1.75 0.18 3.58 -0.02 0.00 -1.26 -4.97 105.19 100.95 4phv n GLY 17 Ca -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 4phv n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 4phv s GLN 18 N -1.27 2.12 -0.11 1.61 -0.21 0.07 -5.10 119.66 116.76 4phv s GLN 18 Ca 0.00 -1.10 -0.07 0.00 0.02 0.00 0.00 55.36 54.21 4phv s GLN 18 Cb 0.00 -2.26 -0.04 0.00 1.00 0.00 0.00 33.01 31.70 4phv s GLN 18 CO 0.00 0.48 0.15 -0.51 -2.12 0.00 0.00 175.29 173.29 4phv s LEU 19 N -2.43 4.39 0.10 2.90 1.43 -1.26 -0.20 118.68 123.61 4phv s LEU 19 Ca 0.23 0.48 -0.09 0.00 -1.03 0.00 0.00 54.13 53.71 4phv s LEU 19 Cb -0.10 -2.10 -0.00 0.00 0.03 0.00 0.00 46.19 44.02 4phv s LEU 19 CO 0.14 0.40 0.21 -0.54 0.23 0.00 0.00 176.35 176.80 4phv s LYS 20 N -1.06 0.89 -0.09 1.70 1.02 -0.63 -4.98 119.74 116.59 4phv s LYS 20 Ca 0.16 -0.97 -0.03 0.00 0.02 0.00 0.00 55.97 55.15 4phv s LYS 20 Cb -0.12 0.35 -0.03 0.00 -0.52 0.00 0.00 37.83 37.51 4phv s LYS 20 CO 0.05 -0.29 0.03 -1.21 -0.92 0.00 0.00 175.35 173.00 4phv s GLU 21 N -3.87 3.09 0.07 1.68 2.02 -1.26 0.36 118.70 120.79 4phv s GLU 21 Ca 0.06 -0.35 -0.08 0.00 0.02 0.00 0.00 54.97 54.62 4phv s GLU 21 Cb 0.04 -2.88 -0.00 0.00 0.10 0.00 0.00 34.13 31.39 4phv s GLU 21 CO -0.10 0.71 0.17 0.00 0.02 0.00 0.00 175.26 176.07 4phv s ALA 22 N -0.89 -0.23 -0.17 5.21 0.00 0.10 -4.42 121.76 121.37 4phv s ALA 22 Ca 0.13 -0.53 -0.13 0.00 0.00 0.00 0.00 51.96 51.44 4phv s ALA 22 Cb -0.11 0.39 -0.05 0.00 0.00 0.00 0.00 23.12 23.35 4phv s ALA 22 CO 0.03 -0.44 0.27 -1.17 0.00 0.00 0.00 175.76 174.45 4phv s LEU 23 N -2.55 4.23 -0.41 0.00 2.96 -0.53 0.40 118.68 122.78 4phv s LEU 23 Ca 0.01 0.45 -0.29 0.00 -0.22 0.00 0.00 54.13 54.08 4phv s LEU 23 Cb 0.03 -2.33 0.02 0.00 0.50 0.00 0.00 46.19 44.41 4phv s LEU 23 CO -0.08 0.10 1.10 -0.76 -1.32 0.00 0.00 176.35 175.39 4phv s LEU 24 N 0.53 3.78 -0.36 -0.68 1.43 -0.53 -0.46 118.68 122.38 4phv s LEU 24 Ca 0.15 0.71 0.03 0.00 -1.03 0.00 0.00 54.13 53.99 4phv s LEU 24 Cb -0.13 -3.53 0.11 0.00 0.03 0.00 0.00 46.19 42.66 4phv s LEU 24 CO 0.03 -1.08 0.10 -0.62 0.23 0.00 0.00 176.35 175.01 4phv s ASP 25 N 2.10 4.44 0.19 2.29 -1.08 0.06 -4.79 116.67 119.87 4phv s ASP 25 Ca 0.46 -2.18 0.22 0.00 -0.52 0.00 0.00 52.55 50.54 4phv s ASP 25 Cb -0.09 -1.39 0.89 0.00 -1.46 0.00 0.00 42.92 40.86 4phv s ASP 25 CO 0.24 -0.36 1.67 0.35 0.52 0.00 0.00 175.17 177.59 4phv n THR 26 N 4.20 0.81 1.40 1.71 -2.24 -1.26 -1.89 114.28 117.01 4phv n THR 26 Ca 0.03 0.17 0.14 0.00 -2.27 0.00 0.00 64.05 62.12 4phv n THR 26 Cb 0.40 -1.04 0.55 0.00 -2.10 0.00 0.00 70.33 68.15 4phv n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 4phv n GLY 27 N 0.19 -0.75 3.58 3.38 0.00 -1.26 -4.80 105.19 105.54 4phv n GLY 27 Ca 0.03 -0.32 -0.35 0.00 0.00 0.00 0.00 46.02 45.38 4phv n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 4phv s ALA 28 N -2.40 3.34 0.14 4.61 0.00 -0.79 -4.99 121.76 121.67 4phv s ALA 28 Ca 0.30 -0.86 -0.11 0.00 0.00 0.00 0.00 51.96 51.29 4phv s ALA 28 Cb 0.20 -1.98 -0.04 0.00 0.00 0.00 0.00 23.12 21.29 4phv s ALA 28 CO 0.47 -0.02 1.47 -0.44 0.00 0.00 0.00 175.76 177.23 4phv h ASP 29 N 7.16 0.99 -1.15 0.00 3.32 -1.87 0.26 116.42 125.13 4phv h ASP 29 Ca -0.37 -0.47 -0.65 0.00 0.02 0.00 0.00 57.03 55.57 4phv h ASP 29 Cb 1.17 -0.28 -0.13 0.00 0.22 0.00 0.00 39.33 40.31 4phv h ASP 29 CO 0.66 1.27 -0.56 -1.81 -1.72 0.00 0.00 179.24 177.08 4phv s ASP 30 N -6.87 4.00 -0.23 6.45 1.01 -1.26 -2.35 116.67 117.43 4phv s ASP 30 Ca -0.11 -1.47 -0.11 0.00 0.71 0.00 0.00 52.55 51.57 4phv s ASP 30 Cb 0.11 -0.04 -0.05 0.00 1.01 0.00 0.00 42.92 43.95 4phv s ASP 30 CO 0.88 -0.61 0.18 -0.89 0.21 0.00 0.00 175.17 174.94 4phv s THR 31 N -2.77 5.35 -0.02 -1.27 2.01 -1.26 -3.31 115.64 114.37 4phv s THR 31 Ca 0.24 0.25 0.03 0.00 0.31 0.00 0.00 61.69 62.51 4phv s THR 31 Cb 0.07 -3.52 -0.00 0.00 0.01 0.00 0.00 72.50 69.05 4phv s THR 31 CO 0.12 0.35 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.62 4phv s VAL 32 N 0.94 0.82 0.23 3.82 1.01 -0.58 -1.26 120.40 125.38 4phv s VAL 32 Ca 0.09 -0.40 0.12 0.00 0.00 0.00 0.00 61.98 61.79 4phv s VAL 32 Cb -0.13 -0.71 -0.05 0.00 0.00 0.00 0.00 36.38 35.49 4phv s VAL 32 CO 0.04 0.25 -0.22 -0.76 0.00 0.00 0.00 175.10 174.40 4phv s LEU 33 N 0.06 2.50 0.70 3.92 1.43 0.81 -0.53 118.68 127.57 4phv s LEU 33 Ca -0.01 -0.93 -0.15 0.00 -1.03 0.00 0.00 54.13 52.01 4phv s LEU 33 Cb -0.07 -1.14 0.02 0.00 0.03 0.00 0.00 46.19 45.03 4phv s LEU 33 CO 0.00 0.09 1.18 -1.61 0.23 0.00 0.00 176.35 176.24 4phv s GLU 34 N -3.00 2.38 -0.12 1.70 2.02 -1.26 -2.63 118.70 117.78 4phv s GLU 34 Ca 0.24 1.65 -0.37 0.00 0.02 0.00 0.00 54.97 56.52 4phv s GLU 34 Cb -0.07 -1.87 -0.17 0.00 0.10 0.00 0.00 34.13 32.11 4phv s GLU 34 CO 0.12 -1.63 1.06 -1.91 0.02 0.00 0.00 175.26 172.92 4phv n GLU 35 N -2.57 0.00 -3.79 1.61 4.07 -1.23 -4.72 120.64 114.01 4phv n GLU 35 Ca 0.12 0.00 -0.04 0.00 -0.06 0.00 0.00 57.16 57.18 4phv n GLU 35 Cb 0.51 -1.31 -0.01 0.00 -0.06 0.00 0.00 31.44 30.57 4phv n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 4phv s MET 36 N 0.74 1.38 -0.26 5.31 0.23 -1.26 -5.05 119.30 120.40 4phv s MET 36 Ca 0.83 -0.79 -0.14 0.00 -1.03 0.00 0.00 55.69 54.56 4phv s MET 36 Cb -1.16 0.46 -0.04 0.00 -1.53 0.00 0.00 34.83 32.55 4phv s MET 36 CO 0.56 -0.64 0.30 -0.80 -2.03 0.00 0.00 175.02 172.42 4phv s ASN 37 N -2.99 6.20 0.05 -1.18 0.02 -1.26 -5.05 114.94 110.73 4phv s ASN 37 Ca 0.13 0.22 0.08 0.00 -1.02 0.00 0.00 52.86 52.27 4phv s ASN 37 Cb -0.03 -2.18 -0.03 0.00 0.02 0.00 0.00 41.25 39.04 4phv s ASN 37 CO 0.04 -0.11 -0.22 -0.76 0.02 0.00 0.00 177.10 176.07 4phv s LEU 38 N 1.77 2.17 0.45 0.60 1.43 -1.26 -5.04 118.68 118.80 4phv s LEU 38 Ca 0.13 -0.55 -0.22 0.00 -1.03 0.00 0.00 54.13 52.46 4phv s LEU 38 Cb -0.15 -1.05 -0.08 0.00 0.03 0.00 0.00 46.19 44.94 4phv s LEU 38 CO 0.09 0.18 1.08 -2.16 0.23 0.00 0.00 176.35 175.77 4phv s PRO 39 N -1.23 3.90 0.15 1.29 0.04 -1.26 -4.92 135.00 132.97 4phv s PRO 39 Ca 0.09 1.54 0.00 0.00 0.04 0.00 0.00 61.00 62.67 4phv s PRO 39 Cb -0.09 -2.34 0.00 0.00 0.04 0.00 0.00 34.50 32.10 4phv s PRO 39 CO 0.02 -0.38 0.00 0.41 0.04 0.00 0.00 177.00 177.09 4phv n GLY 40 N 0.19 -2.44 3.88 0.56 0.00 -1.26 -4.95 105.19 101.18 4phv n GLY 40 Ca 0.07 -1.95 -0.30 0.00 0.00 0.00 0.00 46.02 43.85 4phv n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 4phv s ARG 41 N -0.31 3.72 0.16 1.61 0.52 -1.26 -5.11 118.95 118.29 4phv s ARG 41 Ca 0.00 0.34 0.08 0.00 -0.52 0.00 0.00 55.73 55.63 4phv s ARG 41 Cb 0.00 -2.44 -0.04 0.00 0.52 0.00 0.00 34.95 32.99 4phv s ARG 41 CO 0.00 -0.01 -0.17 1.67 0.02 0.00 0.00 175.30 176.81 4phv s TRP 42 N -2.36 1.73 0.27 -0.53 1.48 -1.26 -4.69 118.94 113.58 4phv s TRP 42 Ca 0.49 -0.50 0.10 0.00 -1.06 0.00 0.00 56.10 55.14 4phv s TRP 42 Cb -0.10 -0.86 -0.05 0.00 -1.16 0.00 0.00 33.47 31.30 4phv s TRP 42 CO 0.33 0.30 -0.09 0.15 -4.06 0.00 0.00 176.95 173.58 4phv s LYS 43 N -2.89 2.04 0.22 3.25 1.02 -0.90 -4.91 119.74 117.57 4phv s LYS 43 Ca 0.15 -1.55 -0.14 0.00 0.02 0.00 0.00 55.97 54.46 4phv s LYS 43 Cb -0.05 -2.01 -0.08 0.00 -0.52 0.00 0.00 37.83 35.18 4phv s LYS 43 CO 0.06 0.36 0.61 -1.25 -0.92 0.00 0.00 175.35 174.21 4phv s PRO 44 N -3.56 3.98 -0.09 -1.68 0.04 -1.26 -0.91 135.00 131.52 4phv s PRO 44 Ca 0.30 0.52 -0.19 0.00 0.04 0.00 0.00 61.00 61.68 4phv s PRO 44 Cb -0.06 -2.74 0.04 0.00 0.04 0.00 0.00 34.50 31.78 4phv s PRO 44 CO 0.18 0.35 0.46 0.21 0.04 0.00 0.00 177.00 178.24 4phv s LYS 45 N -2.42 0.71 -0.06 4.56 2.20 -1.07 -4.89 119.74 118.77 4phv s LYS 45 Ca 0.45 0.25 0.05 0.00 -0.36 0.00 0.00 55.97 56.35 4phv s LYS 45 Cb -0.13 0.33 -0.01 0.00 -1.51 0.00 0.00 37.83 36.51 4phv s LYS 45 CO 0.20 -0.17 -0.22 -1.64 -0.36 0.00 0.00 175.35 173.16 4phv s MET 46 N -0.67 2.63 0.00 4.03 -1.94 -1.26 -0.12 119.30 121.98 4phv s MET 46 Ca -0.08 -0.84 0.04 0.00 -1.71 0.00 0.00 55.69 53.10 4phv s MET 46 Cb -0.03 -2.25 -0.01 0.00 2.01 0.00 0.00 34.83 34.54 4phv s MET 46 CO 0.04 0.41 -0.14 0.96 -0.01 0.00 0.00 175.02 176.28 4phv s ILE 47 N -0.21 1.08 -0.16 2.53 -4.36 -0.26 -4.96 121.20 114.85 4phv s ILE 47 Ca -0.02 -0.68 -0.05 0.00 -0.26 0.00 0.00 60.65 59.64 4phv s ILE 47 Cb -0.13 -0.92 -0.03 0.00 1.25 0.00 0.00 42.46 42.62 4phv s ILE 47 CO 0.03 0.23 -0.01 -0.83 0.24 0.00 0.00 174.94 174.60 4phv s GLY 48 N -0.52 1.78 0.00 6.27 0.00 -1.26 -1.32 107.32 112.26 4phv s GLY 48 Ca 0.04 -0.79 0.00 0.00 0.00 0.00 0.00 44.72 43.97 4phv s GLY 48 CO -0.00 -0.03 0.00 0.61 0.00 0.00 0.00 173.10 173.68 4phv n GLY 49 N 3.52 7.42 0.26 0.20 0.00 0.30 -4.99 105.19 111.91 4phv n GLY 49 Ca -0.17 -2.03 -0.08 0.00 0.00 0.00 0.00 46.02 43.74 4phv n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 4phv h ILE 50 N 0.00 1.24 0.00 -0.61 6.09 -2.03 -3.13 117.51 119.07 4phv h ILE 50 Ca 0.00 -0.85 0.00 0.00 -1.37 0.00 0.00 64.86 62.64 4phv h ILE 50 Cb 0.00 0.74 0.00 0.00 0.47 0.00 0.00 36.82 38.03 4phv h ILE 50 CO 0.00 0.32 -0.30 0.61 -3.07 0.00 0.00 178.15 175.71 4phv n GLY 51 N -0.65 -1.49 0.00 8.18 0.00 -1.26 -5.06 105.19 104.92 4phv n GLY 51 Ca 0.02 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.87 4phv n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 4phv n GLY 52 N 1.39 0.81 3.71 -0.02 0.00 -1.19 -5.12 105.19 104.78 4phv n GLY 52 Ca 0.05 -1.71 -0.25 0.00 0.00 0.00 0.00 46.02 44.11 4phv n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 4phv s PHE 53 N -3.50 2.92 0.04 1.61 0.40 -1.26 -0.54 117.98 117.65 4phv s PHE 53 Ca 0.00 -0.13 -0.00 0.00 -0.60 0.00 0.00 56.93 56.20 4phv s PHE 53 Cb 0.00 -1.37 -0.03 0.00 0.51 0.00 0.00 43.02 42.13 4phv s PHE 53 CO 0.00 0.54 -0.03 0.96 0.70 0.00 0.00 175.22 177.39 4phv s ILE 54 N -1.91 0.22 -0.12 0.64 -4.36 -0.44 -4.97 121.20 110.26 4phv s ILE 54 Ca 0.30 -1.49 -0.15 0.00 -0.26 0.00 0.00 60.65 59.05 4phv s ILE 54 Cb -0.09 -1.08 -0.05 0.00 1.25 0.00 0.00 42.46 42.50 4phv s ILE 54 CO 0.21 -0.81 0.35 -0.54 0.24 0.00 0.00 174.94 174.39 4phv s LYS 55 N -3.02 4.16 0.23 0.37 1.02 -1.26 -1.10 119.74 120.13 4phv s LYS 55 Ca -0.01 0.22 0.03 0.00 0.02 0.00 0.00 55.97 56.23 4phv s LYS 55 Cb 0.01 -3.37 -0.05 0.00 -0.52 0.00 0.00 37.83 33.90 4phv s LYS 55 CO -0.06 0.35 0.02 0.14 -0.92 0.00 0.00 175.35 174.87 4phv s VAL 56 N 0.10 0.88 -0.13 3.17 -7.23 0.83 -4.58 120.40 113.44 4phv s VAL 56 Ca 0.20 -2.01 -0.07 0.00 -1.81 0.00 0.00 61.98 58.29 4phv s VAL 56 Cb -0.14 -2.38 -0.04 0.00 0.56 0.00 0.00 36.38 34.37 4phv s VAL 56 CO 0.07 -0.27 0.11 -0.13 -0.31 0.00 0.00 175.10 174.57 4phv s ARG 57 N -3.91 3.55 -0.24 4.82 0.52 0.13 -2.61 118.95 121.21 4phv s ARG 57 Ca 0.30 -0.21 -0.07 0.00 -0.52 0.00 0.00 55.73 55.23 4phv s ARG 57 Cb 0.06 -3.17 -0.03 0.00 0.52 0.00 0.00 34.95 32.33 4phv s ARG 57 CO 0.09 0.64 0.07 -1.14 0.02 0.00 0.00 175.30 174.98 4phv s GLN 58 N -0.64 3.67 -0.10 3.54 0.74 -0.09 -0.80 119.66 125.99 4phv s GLN 58 Ca 0.12 -0.47 0.01 0.00 0.05 0.00 0.00 55.36 55.07 4phv s GLN 58 Cb -0.12 -3.31 -0.02 0.00 1.10 0.00 0.00 33.01 30.66 4phv s GLN 58 CO 0.02 -0.16 -0.11 0.71 -0.55 0.00 0.00 175.29 175.20 4phv s TYR 59 N 1.54 2.82 0.17 1.67 1.51 -0.27 -2.11 117.35 122.68 4phv s TYR 59 Ca 0.06 -0.34 0.04 0.00 -1.01 0.00 0.00 57.07 55.82 4phv s TYR 59 Cb -0.15 -1.76 -0.03 0.00 -0.11 0.00 0.00 41.96 39.90 4phv s TYR 59 CO 0.04 0.03 0.26 -0.51 -1.11 0.00 0.00 175.55 174.25 4phv s ASP 60 N -0.19 6.14 -1.26 2.29 1.01 -1.26 -1.46 116.67 121.93 4phv s ASP 60 Ca 0.01 0.08 -0.02 0.00 0.71 0.00 0.00 52.55 53.33 4phv s ASP 60 Cb -0.13 -1.79 0.01 0.00 1.01 0.00 0.00 42.92 42.01 4phv s ASP 60 CO 0.03 0.03 0.93 1.67 0.21 0.00 0.00 175.17 178.04 4phv n GLN 61 N -0.65 -6.20 -3.67 8.23 7.27 -1.13 -4.92 117.38 116.31 4phv n GLN 61 Ca -0.08 0.77 -0.36 0.00 0.07 0.00 0.00 57.00 57.40 4phv n GLN 61 Cb 0.55 -5.64 -0.07 0.00 2.41 0.00 0.00 30.24 27.48 4phv n GLN 61 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 4phv s ILE 62 N -3.45 5.35 -0.05 1.69 -1.09 -0.27 -4.78 121.20 118.61 4phv s ILE 62 Ca 0.09 0.39 -0.27 0.00 -2.23 0.00 0.00 60.65 58.64 4phv s ILE 62 Cb -0.04 -3.54 -0.03 0.00 -1.58 0.00 0.00 42.46 37.27 4phv s ILE 62 CO 0.76 0.48 0.86 -0.22 -1.23 0.00 0.00 174.94 175.58 4phv s LEU 63 N -0.06 4.32 -0.03 2.97 2.96 -1.26 -2.20 118.68 125.38 4phv s LEU 63 Ca 0.14 1.42 -0.02 0.00 -0.22 0.00 0.00 54.13 55.45 4phv s LEU 63 Cb -0.13 -3.35 0.01 0.00 0.50 0.00 0.00 46.19 43.23 4phv s LEU 63 CO 0.03 -0.23 0.07 -0.51 -1.32 0.00 0.00 176.35 174.38 4phv s ILE 64 N 1.12 -0.01 -0.23 6.68 2.07 0.09 -4.58 121.20 126.34 4phv s ILE 64 Ca 0.45 0.05 -0.07 0.00 -1.41 0.00 0.00 60.65 59.67 4phv s ILE 64 Cb -0.19 -0.11 -0.03 0.00 0.13 0.00 0.00 42.46 42.26 4phv s ILE 64 CO 0.22 0.02 0.05 -0.70 -1.91 0.00 0.00 174.94 172.62 4phv s GLU 65 N 0.31 3.70 -0.22 3.50 2.12 -0.65 -0.31 118.70 127.14 4phv s GLU 65 Ca -0.02 -0.47 0.00 0.00 0.36 0.00 0.00 54.97 54.84 4phv s GLU 65 Cb -0.03 -3.25 0.03 0.00 0.26 0.00 0.00 34.13 31.13 4phv s GLU 65 CO -0.01 -0.07 -0.12 0.42 -0.54 0.00 0.00 175.26 174.93 4phv s ILE 66 N 1.28 2.47 -1.59 -3.70 1.01 0.18 -0.50 121.20 120.35 4phv s ILE 66 Ca 0.05 -1.05 -0.09 0.00 0.00 0.00 0.00 60.65 59.55 4phv s ILE 66 Cb -0.15 -2.20 0.08 0.00 0.01 0.00 0.00 42.46 40.21 4phv s ILE 66 CO 0.03 0.32 0.50 0.00 0.00 0.00 0.00 174.94 175.79 4phv n GLY 68 N -1.78 0.98 3.22 0.00 0.00 -1.26 -5.01 105.19 101.34 4phv n GLY 68 Ca -0.12 -0.60 -0.33 0.00 0.00 0.00 0.00 46.02 44.96 4phv n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 4phv s HIS 69 N -2.26 2.76 0.09 1.61 4.02 0.16 -5.09 115.29 116.57 4phv s HIS 69 Ca 0.00 -1.21 -0.29 0.00 1.02 0.00 0.00 55.06 54.58 4phv s HIS 69 Cb 0.00 -1.88 -0.05 0.00 -1.02 0.00 0.00 32.58 29.62 4phv s HIS 69 CO 0.00 -0.57 0.93 0.15 1.02 0.00 0.00 174.74 176.27 4phv s LYS 70 N 0.92 4.65 0.07 1.40 1.02 -1.26 0.52 119.74 127.05 4phv s LYS 70 Ca -0.04 1.38 0.04 0.00 0.02 0.00 0.00 55.97 57.37 4phv s LYS 70 Cb -0.15 -3.38 -0.03 0.00 -0.52 0.00 0.00 37.83 33.75 4phv s LYS 70 CO -0.03 0.19 -0.11 0.00 -0.92 0.00 0.00 175.35 174.49 4phv s ALA 71 N 0.11 0.97 -0.14 5.17 0.00 0.58 -4.94 121.76 123.51 4phv s ALA 71 Ca 0.46 -0.99 -0.03 0.00 0.00 0.00 0.00 51.96 51.40 4phv s ALA 71 Cb -0.23 -0.01 0.05 0.00 0.00 0.00 0.00 23.12 22.93 4phv s ALA 71 CO 0.28 0.04 0.06 0.42 0.00 0.00 0.00 175.76 176.57 4phv s ILE 72 N -1.68 0.15 0.00 0.00 1.01 -1.26 -0.73 121.20 118.69 4phv s ILE 72 Ca -0.02 -0.14 0.00 0.00 0.00 0.00 0.00 60.65 60.49 4phv s ILE 72 Cb -0.08 -0.63 0.00 0.00 0.01 0.00 0.00 42.46 41.77 4phv s ILE 72 CO 0.01 -0.11 0.00 0.61 0.00 0.00 0.00 174.94 175.45 4phv n GLY 73 N 5.20 1.72 3.73 6.18 0.00 -0.93 -4.82 105.19 116.27 4phv n GLY 73 Ca -0.07 -0.75 -0.41 0.00 0.00 0.00 0.00 46.02 44.78 4phv n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 4phv s THR 74 N -2.53 3.92 -0.03 2.61 2.01 -1.26 -1.11 115.64 119.24 4phv s THR 74 Ca 0.00 1.57 0.03 0.00 0.31 0.00 0.00 61.69 63.60 4phv s THR 74 Cb 0.00 -4.00 -0.00 0.00 0.01 0.00 0.00 72.50 68.51 4phv s THR 74 CO 0.00 0.23 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.34 4phv s VAL 75 N 0.12 1.06 0.06 3.82 1.01 -0.54 -4.57 120.40 121.36 4phv s VAL 75 Ca 0.52 -0.52 0.04 0.00 0.00 0.00 0.00 61.98 62.02 4phv s VAL 75 Cb -0.29 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.12 4phv s VAL 75 CO 0.34 0.32 -0.04 -0.76 0.00 0.00 0.00 175.10 174.96 4phv s LEU 76 N 0.09 3.31 -0.03 3.92 1.43 -0.39 -1.11 118.68 125.90 4phv s LEU 76 Ca -0.03 -0.19 0.03 0.00 -1.03 0.00 0.00 54.13 52.92 4phv s LEU 76 Cb -0.09 -2.01 0.00 0.00 0.03 0.00 0.00 46.19 44.12 4phv s LEU 76 CO 0.01 0.22 -0.12 -0.69 0.23 0.00 0.00 176.35 175.99 4phv s VAL 77 N -1.19 1.03 -0.81 -1.59 1.01 0.02 -0.13 120.40 118.75 4phv s VAL 77 Ca 0.22 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.70 4phv s VAL 77 Cb -0.11 -0.90 0.00 0.00 0.00 0.00 0.00 36.38 35.36 4phv s VAL 77 CO 0.14 0.31 0.00 0.61 0.00 0.00 0.00 175.10 176.16 4phv n GLY 78 N 3.22 -1.27 2.41 4.51 0.00 -1.08 0.22 105.19 113.20 4phv n GLY 78 Ca -0.18 -0.88 -0.24 0.00 0.00 0.00 0.00 46.02 44.72 4phv n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 4phv n PRO 79 N -0.01 2.46 -3.14 1.61 -0.04 -1.26 -3.54 135.00 131.09 4phv n PRO 79 Ca 0.00 -1.53 -0.34 0.00 -0.04 0.00 0.00 63.50 61.59 4phv n PRO 79 Cb 0.00 -2.43 -0.06 0.00 -0.04 0.00 0.00 33.50 30.97 4phv n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 4phv s THR 80 N 2.60 4.65 0.30 0.52 -1.32 -1.26 -4.98 115.64 116.14 4phv s THR 80 Ca 0.51 1.08 0.13 0.00 -1.21 0.00 0.00 61.69 62.20 4phv s THR 80 Cb 0.16 -3.73 0.06 0.00 -1.51 0.00 0.00 72.50 67.48 4phv s THR 80 CO -0.03 0.01 1.73 -0.65 -2.21 0.00 0.00 174.62 173.47 4phv h PRO 81 N 2.84 0.00 -4.03 7.08 0.11 -1.98 -3.44 132.00 132.58 4phv h PRO 81 Ca -0.48 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.53 4phv h PRO 81 Cb 1.18 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.15 4phv h PRO 81 CO 0.65 0.46 -0.52 0.14 -0.21 0.00 0.00 178.00 178.52 4phv s VAL 82 N -3.85 0.18 0.06 3.15 -7.23 -1.26 -5.09 120.40 106.35 4phv s VAL 82 Ca -0.02 -1.50 -0.30 0.00 -1.81 0.00 0.00 61.98 58.34 4phv s VAL 82 Cb 0.13 -1.45 -0.05 0.00 0.56 0.00 0.00 36.38 35.56 4phv s VAL 82 CO 0.73 -0.81 1.16 0.20 -0.31 0.00 0.00 175.10 176.07 4phv s ASN 83 N -2.90 7.13 -0.12 4.85 0.01 -1.26 -4.69 114.94 117.97 4phv s ASN 83 Ca 0.07 1.96 0.03 0.00 -0.71 0.00 0.00 52.86 54.21 4phv s ASN 83 Cb 0.06 -2.58 0.01 0.00 0.41 0.00 0.00 41.25 39.15 4phv s ASN 83 CO -0.10 -0.43 -0.20 -0.63 -1.51 0.00 0.00 177.10 174.23 4phv s ILE 84 N 1.00 1.86 -0.42 0.60 1.01 0.31 -1.46 121.20 124.10 4phv s ILE 84 Ca 0.57 -0.87 -0.15 0.00 0.00 0.00 0.00 60.65 60.20 4phv s ILE 84 Cb -0.28 -1.64 0.03 0.00 0.01 0.00 0.00 42.46 40.58 4phv s ILE 84 CO 0.29 0.51 0.32 -0.63 0.00 0.00 0.00 174.94 175.43 4phv s ILE 85 N 0.73 5.23 0.57 2.92 -1.09 0.39 -1.53 121.20 128.42 4phv s ILE 85 Ca -0.10 -0.76 0.03 0.00 -2.23 0.00 0.00 60.65 57.59 4phv s ILE 85 Cb -0.16 -3.96 0.11 0.00 -1.58 0.00 0.00 42.46 36.87 4phv s ILE 85 CO 0.01 -0.37 0.78 0.61 -1.23 0.00 0.00 174.94 174.74 4phv n GLY 86 N 5.16 1.17 0.36 6.18 0.00 -1.21 -0.76 105.19 116.09 4phv n GLY 86 Ca -0.11 -2.10 0.13 0.00 0.00 0.00 0.00 46.02 43.94 4phv n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 4phv h ARG 87 N 0.00 0.34 -0.84 1.61 3.08 -0.48 -1.97 114.38 116.12 4phv h ARG 87 Ca -0.26 -0.02 0.10 0.00 0.07 0.00 0.00 59.98 59.87 4phv h ARG 87 Cb 1.04 -0.08 -0.06 0.00 0.08 0.00 0.00 29.97 30.96 4phv h ARG 87 CO 0.31 0.22 0.54 -2.95 -1.07 0.00 0.00 179.97 177.03 4phv h ASN 88 N 0.35 0.71 0.22 7.04 -1.07 -1.72 -2.50 115.58 118.61 4phv h ASN 88 Ca 0.28 0.02 -0.34 0.00 0.07 0.00 0.00 56.30 56.33 4phv h ASN 88 Cb 0.62 -0.13 -0.05 0.00 -2.07 0.00 0.00 38.32 36.69 4phv h ASN 88 CO -0.07 0.42 -2.04 0.18 0.07 0.00 0.00 177.43 175.99 4phv n LEU 89 N -4.52 1.34 -0.33 6.14 4.77 -0.88 -4.05 117.00 119.47 4phv n LEU 89 Ca 0.14 0.19 0.09 0.00 -0.03 0.00 0.00 56.01 56.40 4phv n LEU 89 Cb 0.33 -0.19 0.26 0.00 -2.33 0.00 0.00 43.42 41.49 4phv n LEU 89 CO 0.32 0.59 1.17 -0.07 -1.33 0.00 0.00 177.39 178.07 4phv h LEU 90 N 0.02 0.72 -0.94 2.23 3.38 -1.23 0.16 115.31 119.65 4phv h LEU 90 Ca -0.42 0.08 -0.11 0.00 0.09 0.00 0.00 57.88 57.52 4phv h LEU 90 Cb 2.06 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 42.75 4phv h LEU 90 CO 0.05 0.32 -0.41 0.71 0.09 0.00 0.00 178.44 179.19 4phv h THR 91 N 0.77 1.31 0.00 0.22 1.35 -1.63 -0.51 112.91 114.43 4phv h THR 91 Ca 0.51 -1.53 -0.09 0.00 -0.55 0.00 0.00 66.41 64.75 4phv h THR 91 Cb 0.68 1.69 -0.01 0.00 -1.73 0.00 0.00 68.15 68.77 4phv h THR 91 CO -0.34 0.46 -0.42 1.56 -0.25 0.00 0.00 175.52 176.53 4phv h GLN 92 N 0.20 0.00 -0.60 4.72 4.20 -0.86 -2.89 115.11 119.89 4phv h GLN 92 Ca 0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.73 4phv h GLN 92 Cb 0.82 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.60 4phv h GLN 92 CO 0.06 0.42 0.00 0.44 -0.67 0.00 0.00 178.83 179.08 4phv n ILE 93 N -3.86 0.91 -2.69 2.54 -5.35 -0.71 -4.93 119.36 105.28 4phv n ILE 93 Ca -0.01 -0.81 -0.15 0.00 -0.27 0.00 0.00 62.75 61.50 4phv n ILE 93 Cb 0.47 0.33 0.02 0.00 -1.74 0.00 0.00 39.64 38.71 4phv n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 4phv n GLY 94 N 1.35 -0.17 3.74 3.28 0.00 -1.01 -4.99 105.19 107.39 4phv n GLY 94 Ca 0.20 -0.17 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 4phv n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 4phv s THR 96 N -0.36 0.76 -0.15 0.00 -4.23 -1.26 -4.69 115.64 105.70 4phv s THR 96 Ca 0.41 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 58.86 4phv s THR 96 Cb -0.23 -2.22 -0.04 0.00 1.34 0.00 0.00 72.50 71.36 4phv s THR 96 CO 0.27 -0.40 0.07 -0.76 -0.54 0.00 0.00 174.62 173.27 4phv s LEU 97 N -3.22 3.92 -0.03 4.79 1.43 -1.26 -5.10 118.68 119.21 4phv s LEU 97 Ca 0.26 0.19 0.03 0.00 -1.03 0.00 0.00 54.13 53.58 4phv s LEU 97 Cb 0.06 -1.97 -0.00 0.00 0.03 0.00 0.00 46.19 44.31 4phv s LEU 97 CO 0.06 0.27 -0.12 0.20 0.23 0.00 0.00 176.35 176.98 4phv s ASN 98 N -0.19 1.57 0.00 2.29 0.01 -1.26 -5.29 114.94 112.07 4phv s ASN 98 Ca 0.08 -0.25 0.00 0.00 -0.71 0.00 0.00 52.86 51.98 4phv s ASN 98 Cb -0.12 -0.36 0.00 0.00 0.41 0.00 0.00 41.25 41.18 4phv s ASN 98 CO 0.01 0.11 0.00 2.22 -1.51 0.00 0.00 177.10 177.94