#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 3.27 -0.18 0.54 0.74 -1.26 -5.10 119.66 117.67 4phv s GLN 2 Ca 0.00 -0.69 -0.03 0.00 0.05 0.00 0.00 55.36 54.69 4phv s GLN 2 Cb 0.00 -2.97 -0.02 0.00 1.10 0.00 0.00 33.01 31.12 4phv s GLN 2 CO 0.00 -0.23 -0.05 0.42 -0.55 0.00 0.00 175.29 174.88 4phv s ILE 3 N 1.44 3.57 0.53 -2.34 1.01 -1.26 -5.11 121.20 119.04 4phv s ILE 3 Ca 0.05 -0.46 -0.08 0.00 0.00 0.00 0.00 60.65 60.17 4phv s ILE 3 Cb -0.14 -2.58 -0.04 0.00 0.01 0.00 0.00 42.46 39.71 4phv s ILE 3 CO -0.04 0.47 0.88 0.42 0.00 0.00 0.00 174.94 176.66 4phv s THR 4 N 0.79 4.83 -0.22 2.92 -4.23 -1.26 -5.01 115.64 113.46 4phv s THR 4 Ca -0.02 0.47 0.14 0.00 -1.18 0.00 0.00 61.69 61.10 4phv s THR 4 Cb -0.15 -3.86 0.57 0.00 1.34 0.00 0.00 72.50 70.40 4phv s THR 4 CO 0.02 -0.95 1.50 0.18 -0.54 0.00 0.00 174.62 174.83 4phv n LEU 5 N -2.40 4.32 0.07 4.79 4.77 -1.26 -4.53 117.00 122.76 4phv n LEU 5 Ca 0.03 -3.18 0.03 0.00 -0.03 0.00 0.00 56.01 52.86 4phv n LEU 5 Cb 0.55 -0.60 0.42 0.00 -2.33 0.00 0.00 43.42 41.46 4phv n LEU 5 CO 0.55 0.79 1.03 -0.50 -1.33 0.00 0.00 177.39 177.93 4phv h TRP 6 N 1.87 0.37 -2.16 -1.77 4.06 -2.06 -3.43 115.95 112.83 4phv h TRP 6 Ca 0.08 -0.01 -0.57 0.00 2.06 0.00 0.00 58.89 60.45 4phv h TRP 6 Cb 1.63 -0.12 -0.13 0.00 -1.00 0.00 0.00 29.16 29.54 4phv h TRP 6 CO 0.73 0.33 -0.62 -0.65 -3.56 0.00 0.00 178.44 174.67 4phv s GLN 7 N -5.11 1.81 0.42 0.49 1.11 -1.26 -5.10 119.66 112.02 4phv s GLN 7 Ca -0.07 -2.00 -0.26 0.00 0.01 0.00 0.00 55.36 53.04 4phv s GLN 7 Cb 0.16 -1.35 -0.09 0.00 -1.01 0.00 0.00 33.01 30.72 4phv s GLN 7 CO 0.73 -0.07 1.44 1.03 0.01 0.00 0.00 175.29 178.43 4phv s ARG 8 N -3.76 3.88 -1.03 2.91 0.52 -1.26 -4.88 118.95 115.33 4phv s ARG 8 Ca 0.35 2.46 -0.19 0.00 -0.52 0.00 0.00 55.73 57.83 4phv s ARG 8 Cb 0.08 -2.79 0.12 0.00 0.52 0.00 0.00 34.95 32.88 4phv s ARG 8 CO 0.16 -0.68 1.31 -1.25 0.02 0.00 0.00 175.30 174.86 4phv s PRO 9 N -2.29 3.72 -0.15 3.54 0.04 -1.26 -4.97 135.00 133.63 4phv s PRO 9 Ca 0.57 -1.79 -0.12 0.00 0.04 0.00 0.00 61.00 59.71 4phv s PRO 9 Cb -0.44 -5.09 -0.05 0.00 0.04 0.00 0.00 34.50 28.95 4phv s PRO 9 CO 0.59 -1.91 0.23 -0.51 0.04 0.00 0.00 177.00 175.44 4phv s LEU 10 N 3.12 4.29 0.24 -3.56 1.43 -1.26 -1.03 118.68 121.91 4phv s LEU 10 Ca 0.39 0.47 0.04 0.00 -1.03 0.00 0.00 54.13 54.00 4phv s LEU 10 Cb -0.03 -2.26 -0.05 0.00 0.03 0.00 0.00 46.19 43.88 4phv s LEU 10 CO -0.06 0.21 0.00 0.68 0.23 0.00 0.00 176.35 177.40 4phv s VAL 11 N -0.02 1.06 -0.14 -1.59 -7.23 0.23 -4.93 120.40 107.78 4phv s VAL 11 Ca 0.15 -2.03 -0.13 0.00 -1.81 0.00 0.00 61.98 58.15 4phv s VAL 11 Cb -0.13 -2.38 -0.05 0.00 0.56 0.00 0.00 36.38 34.38 4phv s VAL 11 CO 0.03 -0.29 0.29 -0.89 -0.31 0.00 0.00 175.10 173.93 4phv s THR 12 N -3.40 5.30 0.22 5.32 2.01 -1.25 0.72 115.64 124.55 4phv s THR 12 Ca 0.29 0.54 0.10 0.00 0.31 0.00 0.00 61.69 62.94 4phv s THR 12 Cb 0.06 -3.62 -0.05 0.00 0.01 0.00 0.00 72.50 68.91 4phv s THR 12 CO 0.09 0.43 -0.20 0.27 -0.69 0.00 0.00 174.62 174.53 4phv s ILE 13 N 0.16 2.19 -0.17 1.82 -4.36 0.39 -2.89 121.20 118.34 4phv s ILE 13 Ca 0.17 -2.16 -0.00 0.00 -0.26 0.00 0.00 60.65 58.40 4phv s ILE 13 Cb -0.13 -2.11 0.04 0.00 1.25 0.00 0.00 42.46 41.51 4phv s ILE 13 CO 0.05 -0.33 -0.08 -0.75 0.24 0.00 0.00 174.94 174.07 4phv s LYS 14 N -3.13 1.70 -0.03 0.37 2.20 -0.89 0.26 119.74 120.23 4phv s LYS 14 Ca 0.23 -0.60 -0.01 0.00 -0.36 0.00 0.00 55.97 55.24 4phv s LYS 14 Cb -0.05 -2.10 0.03 0.00 -1.51 0.00 0.00 37.83 34.19 4phv s LYS 14 CO 0.10 -0.40 0.04 -1.50 -0.36 0.00 0.00 175.35 173.24 4phv s ILE 15 N 1.55 -0.08 -1.38 5.43 2.07 0.27 -2.25 121.20 126.82 4phv s ILE 15 Ca 0.01 0.28 -0.04 0.00 -1.41 0.00 0.00 60.65 59.49 4phv s ILE 15 Cb -0.15 -0.11 0.02 0.00 0.13 0.00 0.00 42.46 42.36 4phv s ILE 15 CO -0.08 0.12 0.78 0.61 -1.91 0.00 0.00 174.94 174.45 4phv n GLY 16 N 4.53 -0.35 4.36 1.50 0.00 -1.26 0.22 105.19 114.19 4phv n GLY 16 Ca -0.20 0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.63 0.83 3.73 -0.02 0.00 -1.26 -4.93 105.19 101.91 4phv n GLY 17 Ca -0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.05 4.38 -0.22 1.61 -0.21 0.60 -5.04 119.66 120.73 4phv s GLN 18 Ca 0.00 0.73 -0.26 0.00 0.02 0.00 0.00 55.36 55.86 4phv s GLN 18 Cb 0.00 -3.41 -0.01 0.00 1.00 0.00 0.00 33.01 30.59 4phv s GLN 18 CO 0.00 0.18 0.87 -0.51 -2.12 0.00 0.00 175.29 173.70 4phv s LEU 19 N 0.46 4.11 0.29 2.90 1.43 -1.26 0.96 118.68 127.58 4phv s LEU 19 Ca 0.33 1.14 0.03 0.00 -1.03 0.00 0.00 54.13 54.59 4phv s LEU 19 Cb -0.17 -3.26 -0.04 0.00 0.03 0.00 0.00 46.19 42.75 4phv s LEU 19 CO 0.16 -0.51 0.16 -0.54 0.23 0.00 0.00 176.35 175.85 4phv s LYS 20 N 2.70 1.56 -0.09 1.70 1.02 0.72 -4.93 119.74 122.42 4phv s LYS 20 Ca 0.37 -1.88 0.01 0.00 0.02 0.00 0.00 55.97 54.49 4phv s LYS 20 Cb -0.16 -0.04 -0.02 0.00 -0.52 0.00 0.00 37.83 37.09 4phv s LYS 20 CO 0.09 -0.45 -0.10 -1.21 -0.92 0.00 0.00 175.35 172.75 4phv s GLU 21 N -3.83 3.00 0.09 1.68 2.02 -1.26 0.15 118.70 120.55 4phv s GLU 21 Ca 0.36 -0.62 -0.09 0.00 0.02 0.00 0.00 54.97 54.65 4phv s GLU 21 Cb 0.05 -2.60 -0.00 0.00 0.10 0.00 0.00 34.13 31.68 4phv s GLU 21 CO 0.18 0.47 0.20 0.00 0.02 0.00 0.00 175.26 176.12 4phv s ALA 22 N -0.30 -0.24 -0.22 5.21 0.00 0.22 -4.43 121.76 121.99 4phv s ALA 22 Ca 0.03 -0.60 -0.17 0.00 0.00 0.00 0.00 51.96 51.22 4phv s ALA 22 Cb -0.13 0.50 -0.03 0.00 0.00 0.00 0.00 23.12 23.46 4phv s ALA 22 CO 0.03 -0.52 0.48 -1.17 0.00 0.00 0.00 175.76 174.58 4phv s LEU 23 N -2.86 4.11 -0.48 0.00 2.96 -0.89 0.77 118.68 122.28 4phv s LEU 23 Ca 0.05 0.56 -0.29 0.00 -0.22 0.00 0.00 54.13 54.23 4phv s LEU 23 Cb 0.05 -2.62 0.02 0.00 0.50 0.00 0.00 46.19 44.13 4phv s LEU 23 CO -0.11 -0.19 1.31 -0.76 -1.32 0.00 0.00 176.35 175.29 4phv s LEU 24 N 1.80 3.54 -0.38 -0.68 1.43 -0.19 -1.13 118.68 123.07 4phv s LEU 24 Ca 0.21 0.53 -0.02 0.00 -1.03 0.00 0.00 54.13 53.83 4phv s LEU 24 Cb -0.15 -3.40 0.10 0.00 0.03 0.00 0.00 46.19 42.76 4phv s LEU 24 CO 0.09 -1.45 0.15 -0.62 0.23 0.00 0.00 176.35 174.75 4phv s ASP 25 N 3.54 5.12 0.23 2.29 -1.08 0.24 -4.79 116.67 122.23 4phv s ASP 25 Ca 0.54 -1.93 0.25 0.00 -0.52 0.00 0.00 52.55 50.88 4phv s ASP 25 Cb -0.10 -1.78 0.91 0.00 -1.46 0.00 0.00 42.92 40.48 4phv s ASP 25 CO 0.30 -0.47 1.74 0.35 0.52 0.00 0.00 175.17 177.61 4phv n THR 26 N 4.54 0.71 0.97 1.71 -2.24 -1.26 -1.86 114.28 116.85 4phv n THR 26 Ca -0.03 -0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.88 4phv n THR 26 Cb 0.42 -0.89 0.45 0.00 -2.10 0.00 0.00 70.33 68.21 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 0.61 -1.41 3.64 3.38 0.00 -1.26 -4.79 105.19 105.37 4phv n GLY 27 Ca 0.04 -0.20 -0.39 0.00 0.00 0.00 0.00 46.02 45.48 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 -3.01 3.57 0.22 4.61 0.00 -0.78 -4.98 121.76 121.39 4phv s ALA 28 Ca 0.12 -0.64 -0.02 0.00 0.00 0.00 0.00 51.96 51.42 4phv s ALA 28 Cb 0.18 -2.68 0.20 0.00 0.00 0.00 0.00 23.12 20.82 4phv s ALA 28 CO 0.60 -0.46 1.59 -0.44 0.00 0.00 0.00 175.76 177.05 4phv h ASP 29 N 7.71 0.64 -1.29 0.00 3.32 -1.86 0.15 116.42 125.09 4phv h ASP 29 Ca -0.34 -0.28 -0.64 0.00 0.02 0.00 0.00 57.03 55.79 4phv h ASP 29 Cb 1.16 -0.18 -0.13 0.00 0.22 0.00 0.00 39.33 40.40 4phv h ASP 29 CO 0.69 0.96 -0.57 -1.81 -1.72 0.00 0.00 179.24 176.79 4phv s ASP 30 N -6.85 3.98 -0.20 6.45 1.01 -1.26 -3.09 116.67 116.71 4phv s ASP 30 Ca -0.08 -1.44 -0.08 0.00 0.71 0.00 0.00 52.55 51.66 4phv s ASP 30 Cb 0.12 -0.14 -0.04 0.00 1.01 0.00 0.00 42.92 43.87 4phv s ASP 30 CO 0.83 -0.57 0.09 -0.89 0.21 0.00 0.00 175.17 174.84 4phv s THR 31 N -2.75 4.94 -0.05 -1.27 2.01 -1.26 -3.02 115.64 114.23 4phv s THR 31 Ca 0.27 0.02 0.01 0.00 0.31 0.00 0.00 61.69 62.30 4phv s THR 31 Cb 0.07 -3.25 0.02 0.00 0.01 0.00 0.00 72.50 69.35 4phv s THR 31 CO 0.14 0.43 -0.05 0.54 -0.69 0.00 0.00 174.62 174.99 4phv s VAL 32 N 0.61 0.58 0.22 3.82 0.11 -0.85 -0.13 120.40 124.75 4phv s VAL 32 Ca 0.05 -0.12 0.09 0.00 -2.93 0.00 0.00 61.98 59.07 4phv s VAL 32 Cb -0.13 -0.62 -0.04 0.00 -1.53 0.00 0.00 36.38 34.06 4phv s VAL 32 CO 0.01 0.25 -0.08 -0.76 -3.33 0.00 0.00 175.10 171.19 4phv s LEU 33 N 1.07 3.01 0.64 2.54 1.43 0.10 0.13 118.68 127.59 4phv s LEU 33 Ca -0.09 -0.65 -0.18 0.00 -1.03 0.00 0.00 54.13 52.19 4phv s LEU 33 Cb -0.14 -1.61 -0.01 0.00 0.03 0.00 0.00 46.19 44.45 4phv s LEU 33 CO -0.01 0.06 1.23 -1.61 0.23 0.00 0.00 176.35 176.25 4phv s GLU 34 N -3.19 2.69 -0.45 1.70 2.02 -1.26 -1.45 118.70 118.75 4phv s GLU 34 Ca 0.28 1.86 -0.42 0.00 0.02 0.00 0.00 54.97 56.70 4phv s GLU 34 Cb -0.08 -1.89 -0.18 0.00 0.10 0.00 0.00 34.13 32.09 4phv s GLU 34 CO 0.17 -1.43 1.57 0.39 0.02 0.00 0.00 175.26 175.98 4phv n GLU 35 N -1.93 0.00 -3.87 1.61 -0.58 -1.02 -4.59 120.64 110.27 4phv n GLU 35 Ca 0.14 0.00 -0.08 0.00 -0.42 0.00 0.00 57.16 56.80 4phv n GLU 35 Cb 0.49 -1.36 -0.01 0.00 -0.57 0.00 0.00 31.44 30.00 4phv n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 4phv s MET 36 N 3.40 1.90 -0.19 3.49 0.23 -1.26 -5.01 119.30 121.86 4phv s MET 36 Ca 0.98 -1.19 -0.04 0.00 -1.03 0.00 0.00 55.69 54.42 4phv s MET 36 Cb -1.36 0.59 -0.02 0.00 -1.53 0.00 0.00 34.83 32.52 4phv s MET 36 CO 0.71 -0.87 -0.04 1.21 -2.03 0.00 0.00 175.02 173.99 4phv s ASN 37 N -2.99 4.48 0.22 -1.18 3.84 -1.26 -4.99 114.94 113.06 4phv s ASN 37 Ca 0.14 -0.29 0.10 0.00 0.21 0.00 0.00 52.86 53.02 4phv s ASN 37 Cb -0.05 -1.75 -0.04 0.00 -0.55 0.00 0.00 41.25 38.86 4phv s ASN 37 CO 0.09 0.06 -0.08 -0.76 -2.79 0.00 0.00 177.10 173.62 4phv s LEU 38 N 1.00 2.98 0.25 3.21 1.43 -1.26 -5.07 118.68 121.22 4phv s LEU 38 Ca 0.00 -0.66 -0.22 0.00 -1.03 0.00 0.00 54.13 52.22 4phv s LEU 38 Cb -0.15 -1.59 -0.09 0.00 0.03 0.00 0.00 46.19 44.39 4phv s LEU 38 CO 0.01 0.07 0.80 -2.16 0.23 0.00 0.00 176.35 175.29 4phv s PRO 39 N -3.15 4.40 0.00 1.29 0.04 -1.26 -4.95 135.00 131.37 4phv s PRO 39 Ca 0.27 1.06 0.00 0.00 0.04 0.00 0.00 61.00 62.37 4phv s PRO 39 Cb -0.08 -2.91 0.00 0.00 0.04 0.00 0.00 34.50 31.56 4phv s PRO 39 CO 0.16 0.38 0.00 0.41 0.04 0.00 0.00 177.00 178.00 4phv n GLY 40 N 0.79 -0.47 3.86 0.56 0.00 -1.26 -5.01 105.19 103.66 4phv n GLY 40 Ca -0.01 -2.28 -0.33 0.00 0.00 0.00 0.00 46.02 43.40 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 -0.97 3.92 0.24 1.61 0.52 -1.26 -5.08 118.95 117.93 4phv s ARG 41 Ca 0.00 0.48 0.06 0.00 -0.52 0.00 0.00 55.73 55.75 4phv s ARG 41 Cb 0.00 -2.60 -0.05 0.00 0.52 0.00 0.00 34.95 32.82 4phv s ARG 41 CO 0.00 0.27 -0.06 1.67 0.02 0.00 0.00 175.30 177.21 4phv s TRP 42 N -1.83 1.72 0.01 -0.53 1.48 -1.26 -4.62 118.94 113.91 4phv s TRP 42 Ca 0.49 -0.76 0.06 0.00 -1.06 0.00 0.00 56.10 54.83 4phv s TRP 42 Cb -0.11 -0.95 -0.02 0.00 -1.16 0.00 0.00 33.47 31.22 4phv s TRP 42 CO 0.19 0.17 -0.19 0.15 -4.06 0.00 0.00 176.95 173.21 4phv s LYS 43 N -3.76 1.44 0.35 3.25 1.02 -0.61 -4.89 119.74 116.54 4phv s LYS 43 Ca 0.27 -0.79 -0.25 0.00 0.02 0.00 0.00 55.97 55.21 4phv s LYS 43 Cb 0.04 -1.46 -0.10 0.00 -0.52 0.00 0.00 37.83 35.79 4phv s LYS 43 CO 0.09 0.39 0.99 -1.25 -0.92 0.00 0.00 175.35 174.65 4phv s PRO 44 N -0.80 4.42 0.07 -1.68 0.04 -1.26 0.17 135.00 135.96 4phv s PRO 44 Ca 0.07 1.41 -0.10 0.00 0.04 0.00 0.00 61.00 62.42 4phv s PRO 44 Cb -0.08 -2.69 0.01 0.00 0.04 0.00 0.00 34.50 31.78 4phv s PRO 44 CO 0.00 0.11 0.22 0.21 0.04 0.00 0.00 177.00 177.59 4phv s LYS 45 N -2.25 0.82 -0.15 4.56 2.20 -0.70 -4.85 119.74 119.37 4phv s LYS 45 Ca 0.53 -0.80 0.01 0.00 -0.36 0.00 0.00 55.97 55.36 4phv s LYS 45 Cb -0.20 0.34 0.01 0.00 -1.51 0.00 0.00 37.83 36.47 4phv s LYS 45 CO 0.25 -0.26 -0.19 1.41 -0.36 0.00 0.00 175.35 176.20 4phv s MET 46 N -3.37 3.10 -0.02 4.03 1.75 -1.26 -1.17 119.30 122.35 4phv s MET 46 Ca 0.01 -0.81 0.07 0.00 -1.25 0.00 0.00 55.69 53.72 4phv s MET 46 Cb 0.02 -2.53 -0.02 0.00 2.84 0.00 0.00 34.83 35.14 4phv s MET 46 CO -0.08 -0.03 -0.24 0.96 -0.65 0.00 0.00 175.02 174.97 4phv s ILE 47 N 0.88 2.20 0.09 10.11 -4.36 -0.25 -4.95 121.20 124.93 4phv s ILE 47 Ca -0.05 -1.08 0.08 0.00 -0.26 0.00 0.00 60.65 59.34 4phv s ILE 47 Cb -0.15 -1.78 -0.04 0.00 1.25 0.00 0.00 42.46 41.74 4phv s ILE 47 CO -0.02 0.57 -0.16 -0.83 0.24 0.00 0.00 174.94 174.73 4phv s GLY 48 N -0.67 1.67 0.00 6.27 0.00 -1.26 -0.59 107.32 112.74 4phv s GLY 48 Ca 0.10 -1.27 0.00 0.00 0.00 0.00 0.00 44.72 43.55 4phv s GLY 48 CO -0.01 -1.22 0.00 0.61 0.00 0.00 0.00 173.10 172.48 4phv n GLY 49 N 1.04 4.46 3.69 0.20 0.00 -0.06 -4.94 105.19 109.58 4phv n GLY 49 Ca -0.15 -1.02 -0.42 0.00 0.00 0.00 0.00 46.02 44.43 4phv n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 4phv s ILE 50 N -0.82 3.89 0.00 -0.61 1.01 -1.26 -1.73 121.20 121.67 4phv s ILE 50 Ca 0.00 1.27 0.00 0.00 0.00 0.00 0.00 60.65 61.92 4phv s ILE 50 Cb 0.00 -3.82 0.00 0.00 0.01 0.00 0.00 42.46 38.65 4phv s ILE 50 CO 0.00 0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.56 4phv n GLY 51 N 3.51 1.27 0.00 6.18 0.00 -1.26 -4.97 105.19 109.92 4phv n GLY 51 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.83 -0.04 3.90 -0.02 0.00 -0.71 -5.07 105.19 101.43 4phv n GLY 52 Ca 0.00 -2.24 -0.30 0.00 0.00 0.00 0.00 46.02 43.48 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 0.00 3.47 0.06 1.61 0.40 -1.26 -0.88 117.98 121.38 4phv s PHE 53 Ca 0.00 0.54 0.03 0.00 -0.60 0.00 0.00 56.93 56.91 4phv s PHE 53 Cb 0.00 -2.00 -0.03 0.00 0.51 0.00 0.00 43.02 41.50 4phv s PHE 53 CO 0.00 0.36 -0.10 0.96 0.70 0.00 0.00 175.22 177.14 4phv s ILE 54 N -1.80 0.78 -0.18 0.64 -4.36 0.24 -4.97 121.20 111.55 4phv s ILE 54 Ca 0.41 -1.26 -0.14 0.00 -0.26 0.00 0.00 60.65 59.40 4phv s ILE 54 Cb -0.12 -0.89 -0.04 0.00 1.25 0.00 0.00 42.46 42.66 4phv s ILE 54 CO 0.26 -0.37 0.32 -0.75 0.24 0.00 0.00 174.94 174.64 4phv s LYS 55 N -1.88 4.22 0.33 0.37 2.20 -1.26 -1.09 119.74 122.64 4phv s LYS 55 Ca -0.05 0.12 0.03 0.00 -0.36 0.00 0.00 55.97 55.71 4phv s LYS 55 Cb -0.08 -3.47 -0.05 0.00 -1.51 0.00 0.00 37.83 32.72 4phv s LYS 55 CO 0.01 0.13 0.10 0.14 -0.36 0.00 0.00 175.35 175.37 4phv s VAL 56 N 0.80 0.76 -0.15 4.02 -7.23 -0.32 -4.47 120.40 113.81 4phv s VAL 56 Ca 0.17 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.31 4phv s VAL 56 Cb -0.14 -2.59 -0.02 0.00 0.56 0.00 0.00 36.38 34.19 4phv s VAL 56 CO 0.05 0.00 -0.07 -0.13 -0.31 0.00 0.00 175.10 174.65 4phv s ARG 57 N -3.86 3.58 -0.25 4.82 0.52 0.12 -1.73 118.95 122.16 4phv s ARG 57 Ca 0.33 -0.57 -0.11 0.00 -0.52 0.00 0.00 55.73 54.86 4phv s ARG 57 Cb 0.06 -2.83 -0.05 0.00 0.52 0.00 0.00 34.95 32.65 4phv s ARG 57 CO 0.15 0.22 0.17 -1.14 0.02 0.00 0.00 175.30 174.72 4phv s GLN 58 N 0.38 4.04 -0.12 3.54 0.74 0.45 -1.30 119.66 127.40 4phv s GLN 58 Ca -0.06 -0.28 -0.01 0.00 0.05 0.00 0.00 55.36 55.07 4phv s GLN 58 Cb -0.15 -3.57 -0.02 0.00 1.10 0.00 0.00 33.01 30.37 4phv s GLN 58 CO 0.04 0.00 -0.10 0.71 -0.55 0.00 0.00 175.29 175.39 4phv s TYR 59 N 1.22 2.88 0.27 1.67 1.51 -0.21 -1.58 117.35 123.12 4phv s TYR 59 Ca 0.08 -0.41 0.01 0.00 -1.01 0.00 0.00 57.07 55.74 4phv s TYR 59 Cb -0.14 -1.84 -0.03 0.00 -0.11 0.00 0.00 41.96 39.84 4phv s TYR 59 CO 0.06 -0.05 0.45 -0.51 -1.11 0.00 0.00 175.55 174.38 4phv s ASP 60 N 0.10 6.33 -1.36 2.29 1.01 -1.26 -1.04 116.67 122.73 4phv s ASP 60 Ca -0.04 0.32 -0.01 0.00 0.71 0.00 0.00 52.55 53.53 4phv s ASP 60 Cb -0.14 -1.97 0.01 0.00 1.01 0.00 0.00 42.92 41.82 4phv s ASP 60 CO 0.04 -0.15 0.61 0.00 0.21 0.00 0.00 175.17 175.88 4phv n GLN 61 N -1.33 -4.32 -3.51 8.23 6.02 -1.22 -4.89 117.38 116.36 4phv n GLN 61 Ca -0.06 0.53 -0.36 0.00 -0.01 0.00 0.00 57.00 57.10 4phv n GLN 61 Cb 0.56 -4.96 -0.06 0.00 1.02 0.00 0.00 30.24 26.80 4phv n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 4phv s ILE 62 N -3.75 5.03 -0.09 5.09 -1.09 -0.26 -4.79 121.20 121.34 4phv s ILE 62 Ca 0.06 0.69 -0.14 0.00 -2.23 0.00 0.00 60.65 59.03 4phv s ILE 62 Cb -0.03 -3.69 -0.05 0.00 -1.58 0.00 0.00 42.46 37.11 4phv s ILE 62 CO 0.84 0.42 0.34 -0.22 -1.23 0.00 0.00 174.94 175.10 4phv s LEU 63 N -1.52 4.35 0.07 2.97 2.96 -1.26 -2.06 118.68 124.19 4phv s LEU 63 Ca 0.29 0.71 0.04 0.00 -0.22 0.00 0.00 54.13 54.95 4phv s LEU 63 Cb -0.15 -2.46 -0.03 0.00 0.50 0.00 0.00 46.19 44.05 4phv s LEU 63 CO 0.16 0.21 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.66 4phv s ILE 64 N -0.27 0.86 -0.23 6.68 1.01 0.26 -4.63 121.20 124.88 4phv s ILE 64 Ca 0.20 -1.29 0.01 0.00 0.00 0.00 0.00 60.65 59.57 4phv s ILE 64 Cb -0.15 -0.96 0.03 0.00 0.01 0.00 0.00 42.46 41.40 4phv s ILE 64 CO 0.08 -0.35 -0.13 -0.70 0.00 0.00 0.00 174.94 173.84 4phv s GLU 65 N -1.90 2.70 -0.37 2.79 2.12 -0.95 0.50 118.70 123.58 4phv s GLU 65 Ca -0.03 -1.05 -0.04 0.00 0.36 0.00 0.00 54.97 54.21 4phv s GLU 65 Cb -0.08 -2.81 0.08 0.00 0.26 0.00 0.00 34.13 31.57 4phv s GLU 65 CO 0.01 -0.39 0.14 0.42 -0.54 0.00 0.00 175.26 174.90 4phv s ILE 66 N 1.24 3.43 -1.19 -3.70 1.09 0.30 -2.09 121.20 120.29 4phv s ILE 66 Ca -0.01 -1.62 -0.10 0.00 -1.10 0.00 0.00 60.65 57.81 4phv s ILE 66 Cb -0.16 -3.15 -0.02 0.00 -1.06 0.00 0.00 42.46 38.07 4phv s ILE 66 CO -0.08 -0.42 0.77 0.00 -0.10 0.00 0.00 174.94 175.11 4phv n GLY 68 N -1.58 2.64 3.69 0.00 0.00 -1.26 -4.97 105.19 103.71 4phv n GLY 68 Ca -0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.34 3.52 0.26 1.61 4.02 -0.58 -5.02 115.29 118.76 4phv s HIS 69 Ca 0.00 1.42 -0.28 0.00 1.02 0.00 0.00 55.06 57.22 4phv s HIS 69 Cb 0.00 -3.04 -0.09 0.00 -1.02 0.00 0.00 32.58 28.43 4phv s HIS 69 CO 0.00 -0.13 0.92 0.15 1.02 0.00 0.00 174.74 176.70 4phv s LYS 70 N 1.65 4.74 -0.01 1.40 1.02 -1.26 0.11 119.74 127.38 4phv s LYS 70 Ca 0.43 1.40 -0.07 0.00 0.02 0.00 0.00 55.97 57.76 4phv s LYS 70 Cb -0.18 -3.12 0.00 0.00 -0.52 0.00 0.00 37.83 34.02 4phv s LYS 70 CO 0.18 0.45 0.14 0.00 -0.92 0.00 0.00 175.35 175.19 4phv s ALA 71 N -1.32 -0.32 0.02 5.17 0.00 0.18 -4.86 121.76 120.63 4phv s ALA 71 Ca 0.44 -0.01 0.06 0.00 0.00 0.00 0.00 51.96 52.45 4phv s ALA 71 Cb -0.23 0.02 -0.02 0.00 0.00 0.00 0.00 23.12 22.89 4phv s ALA 71 CO 0.29 -0.17 -0.18 0.42 0.00 0.00 0.00 175.76 176.11 4phv s ILE 72 N -1.02 1.47 -2.84 0.00 1.01 -1.26 -0.57 121.20 117.98 4phv s ILE 72 Ca -0.11 -1.01 0.00 0.00 0.00 0.00 0.00 60.65 59.53 4phv s ILE 72 Cb -0.06 -1.26 0.00 0.00 0.01 0.00 0.00 42.46 41.14 4phv s ILE 72 CO 0.01 0.23 0.00 0.61 0.00 0.00 0.00 174.94 175.79 4phv n GLY 73 N 2.13 -2.00 3.76 6.18 0.00 -0.87 -4.92 105.19 109.46 4phv n GLY 73 Ca -0.16 -1.17 -0.41 0.00 0.00 0.00 0.00 46.02 44.28 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 -2.18 3.06 -0.06 2.61 2.01 -1.26 -1.10 115.64 118.72 4phv s THR 74 Ca 0.00 1.02 0.02 0.00 0.31 0.00 0.00 61.69 63.05 4phv s THR 74 Cb 0.00 -3.65 0.01 0.00 0.01 0.00 0.00 72.50 68.87 4phv s THR 74 CO 0.00 0.23 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.34 4phv s VAL 75 N -0.90 1.12 -0.00 3.82 1.01 -0.21 -4.49 120.40 120.76 4phv s VAL 75 Ca 0.49 -0.48 -0.02 0.00 0.00 0.00 0.00 61.98 61.97 4phv s VAL 75 Cb -0.37 -1.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.95 4phv s VAL 75 CO 0.46 0.35 0.16 -0.76 0.00 0.00 0.00 175.10 175.31 4phv s LEU 76 N 0.59 4.26 -0.05 3.92 1.43 0.81 -1.04 118.68 128.59 4phv s LEU 76 Ca -0.13 0.29 0.02 0.00 -1.03 0.00 0.00 54.13 53.28 4phv s LEU 76 Cb -0.15 -2.56 0.02 0.00 0.03 0.00 0.00 46.19 43.52 4phv s LEU 76 CO 0.03 0.26 -0.09 -0.69 0.23 0.00 0.00 176.35 176.09 4phv s VAL 77 N -1.31 0.87 -0.00 -1.59 1.01 -0.42 0.02 120.40 118.98 4phv s VAL 77 Ca 0.27 -0.33 -0.01 0.00 0.00 0.00 0.00 61.98 61.91 4phv s VAL 77 Cb -0.12 -0.83 0.00 0.00 0.00 0.00 0.00 36.38 35.43 4phv s VAL 77 CO 0.18 0.30 0.06 0.61 0.00 0.00 0.00 175.10 176.25 4phv n GLY 78 N 3.87 0.44 2.22 4.51 0.00 -0.53 0.14 105.19 115.84 4phv n GLY 78 Ca -0.24 -0.82 -0.17 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.04 2.07 -2.99 1.61 -0.04 -1.26 -2.42 135.00 131.92 4phv n PRO 79 Ca 0.00 -1.16 -0.37 0.00 -0.04 0.00 0.00 63.50 61.94 4phv n PRO 79 Cb 0.03 -2.15 -0.06 0.00 -0.04 0.00 0.00 33.50 31.27 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 1.85 4.43 0.04 0.52 -1.32 -1.26 -4.96 115.64 114.95 4phv s THR 80 Ca 0.54 1.50 0.31 0.00 -1.21 0.00 0.00 61.69 62.83 4phv s THR 80 Cb 0.22 -3.93 0.36 0.00 -1.51 0.00 0.00 72.50 67.63 4phv s THR 80 CO -0.02 0.21 1.91 1.55 -2.21 0.00 0.00 174.62 176.07 4phv h PRO 81 N 3.42 0.00 -3.45 7.08 0.13 -1.98 -3.43 132.00 133.77 4phv h PRO 81 Ca -0.47 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.56 4phv h PRO 81 Cb 1.19 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.16 4phv h PRO 81 CO 0.65 0.04 -0.28 0.54 -0.23 0.00 0.00 178.00 178.72 4phv s VAL 82 N -3.61 0.10 0.08 1.56 0.11 -1.26 -5.08 120.40 112.30 4phv s VAL 82 Ca 0.02 -0.80 -0.30 0.00 -2.93 0.00 0.00 61.98 57.96 4phv s VAL 82 Cb 0.09 -1.02 -0.06 0.00 -1.53 0.00 0.00 36.38 33.86 4phv s VAL 82 CO 0.58 -0.44 1.15 0.20 -3.33 0.00 0.00 175.10 173.25 4phv s ASN 83 N -2.27 7.16 -0.04 3.54 0.01 -1.26 -4.65 114.94 117.42 4phv s ASN 83 Ca -0.03 1.99 0.04 0.00 -0.71 0.00 0.00 52.86 54.16 4phv s ASN 83 Cb 0.00 -2.58 -0.00 0.00 0.41 0.00 0.00 41.25 39.08 4phv s ASN 83 CO -0.06 -0.38 -0.17 -0.63 -1.51 0.00 0.00 177.10 174.35 4phv s ILE 84 N 0.72 1.44 -0.42 0.60 1.01 0.12 -2.10 121.20 122.57 4phv s ILE 84 Ca 0.56 -0.73 -0.14 0.00 0.00 0.00 0.00 60.65 60.34 4phv s ILE 84 Cb -0.28 -1.23 0.03 0.00 0.01 0.00 0.00 42.46 40.99 4phv s ILE 84 CO 0.31 0.41 0.30 -0.63 0.00 0.00 0.00 174.94 175.33 4phv s ILE 85 N -0.00 5.10 0.45 2.92 -1.09 -0.28 -2.02 121.20 126.29 4phv s ILE 85 Ca -0.03 -0.81 -0.01 0.00 -2.23 0.00 0.00 60.65 57.57 4phv s ILE 85 Cb -0.11 -3.90 0.09 0.00 -1.58 0.00 0.00 42.46 36.97 4phv s ILE 85 CO 0.02 -0.36 0.62 0.61 -1.23 0.00 0.00 174.94 174.60 4phv n GLY 86 N 5.13 0.43 0.32 6.18 0.00 -1.17 -0.59 105.19 115.50 4phv n GLY 86 Ca -0.11 -1.96 0.04 0.00 0.00 0.00 0.00 46.02 43.99 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 0.63 -0.29 1.61 3.08 -0.73 -2.16 114.38 116.53 4phv h ARG 87 Ca -0.20 -0.04 0.08 0.00 0.07 0.00 0.00 59.98 59.89 4phv h ARG 87 Cb 0.72 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 4phv h ARG 87 CO 0.21 0.42 0.24 -2.95 -1.07 0.00 0.00 179.97 176.82 4phv h ASN 88 N 0.65 0.00 0.00 7.04 -1.07 -1.81 -2.42 115.58 117.97 4phv h ASN 88 Ca 0.19 0.00 -0.09 0.00 0.07 0.00 0.00 56.30 56.48 4phv h ASN 88 Cb -0.01 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 36.22 4phv h ASN 88 CO -0.05 0.00 -1.52 0.18 0.07 0.00 0.00 177.43 176.11 4phv n LEU 89 N -4.14 0.00 0.07 6.14 4.77 -1.09 -4.42 117.00 118.34 4phv n LEU 89 Ca 0.04 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 56.03 4phv n LEU 89 Cb 0.40 0.12 0.32 0.00 -2.33 0.00 0.00 43.42 41.93 4phv n LEU 89 CO 0.32 0.12 0.86 -0.07 -1.33 0.00 0.00 177.39 177.29 4phv h LEU 90 N 0.00 0.33 -0.77 2.23 3.38 -1.13 -1.87 115.31 117.48 4phv h LEU 90 Ca -0.13 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.69 4phv h LEU 90 Cb 1.02 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.66 4phv h LEU 90 CO 0.01 0.50 0.07 0.71 0.09 0.00 0.00 178.44 179.82 4phv h THR 91 N 0.33 1.26 0.00 0.22 1.35 -1.68 -1.39 112.91 113.00 4phv h THR 91 Ca 0.06 -1.03 -0.02 0.00 -0.55 0.00 0.00 66.41 64.88 4phv h THR 91 Cb 0.44 0.71 -0.00 0.00 -1.73 0.00 0.00 68.15 67.57 4phv h THR 91 CO 0.03 0.38 -0.09 1.56 -0.25 0.00 0.00 175.52 177.15 4phv h GLN 92 N 0.94 0.00 -0.52 4.72 1.08 -1.55 -1.78 115.11 118.00 4phv h GLN 92 Ca 0.18 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.38 4phv h GLN 92 Cb 0.44 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.87 4phv h GLN 92 CO 0.01 0.09 0.00 0.44 -0.95 0.00 0.00 178.83 178.42 4phv n ILE 93 N -3.38 0.75 -1.94 2.54 -5.35 -1.12 -4.94 119.36 105.93 4phv n ILE 93 Ca -0.01 -0.88 -0.06 0.00 -0.27 0.00 0.00 62.75 61.53 4phv n ILE 93 Cb 0.26 0.74 -0.01 0.00 -1.74 0.00 0.00 39.64 38.88 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 1.43 0.25 3.76 3.28 0.00 -0.67 -5.01 105.19 108.23 4phv n GLY 94 Ca 0.20 -0.66 -0.40 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.00 0.24 -0.21 0.00 -4.23 -1.26 -4.74 115.64 104.45 4phv s THR 96 Ca 0.46 -1.88 -0.08 0.00 -1.18 0.00 0.00 61.69 59.02 4phv s THR 96 Cb -0.33 -1.81 -0.04 0.00 1.34 0.00 0.00 72.50 71.66 4phv s THR 96 CO 0.42 -0.72 0.07 -0.22 -0.54 0.00 0.00 174.62 173.64 4phv s LEU 97 N -3.00 3.70 -0.05 4.79 2.96 -1.26 -5.09 118.68 120.71 4phv s LEU 97 Ca 0.16 -0.02 0.02 0.00 -0.22 0.00 0.00 54.13 54.06 4phv s LEU 97 Cb 0.07 -1.96 0.02 0.00 0.50 0.00 0.00 46.19 44.82 4phv s LEU 97 CO -0.03 0.09 -0.08 0.20 -1.32 0.00 0.00 176.35 175.21 4phv s ASN 98 N 0.88 1.32 0.00 3.68 -0.87 -1.26 -5.30 114.94 113.38 4phv s ASN 98 Ca 0.04 -0.21 0.00 0.00 -1.57 0.00 0.00 52.86 51.12 4phv s ASN 98 Cb -0.14 -0.62 0.00 0.00 -0.02 0.00 0.00 41.25 40.47 4phv s ASN 98 CO 0.03 -0.01 0.00 2.22 -2.57 0.00 0.00 177.10 176.76