#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pym s GLN 2 N 0.00 3.60 -0.13 -0.52 0.74 -1.26 -5.10 119.66 116.99 2pym s GLN 2 Ca 0.00 -0.03 -0.01 0.00 0.05 0.00 0.00 55.36 55.37 2pym s GLN 2 Cb 0.00 -3.09 0.04 0.00 1.10 0.00 0.00 33.01 31.06 2pym s GLN 2 CO 0.00 0.66 -0.01 0.42 -0.55 0.00 0.00 175.29 175.81 2pym s ILE 3 N -1.27 0.66 0.81 -2.34 1.01 -1.26 -5.14 121.20 113.67 2pym s ILE 3 Ca 0.27 -0.30 -0.11 0.00 0.00 0.00 0.00 60.65 60.50 2pym s ILE 3 Cb -0.13 -0.91 0.10 0.00 0.01 0.00 0.00 42.46 41.52 2pym s ILE 3 CO 0.15 0.10 1.17 0.42 0.00 0.00 0.00 174.94 176.77 2pym s THR 4 N 1.83 2.06 -0.16 2.92 -4.23 -1.26 -5.02 115.64 111.77 2pym s THR 4 Ca 0.02 -0.06 0.16 0.00 -1.18 0.00 0.00 61.69 60.63 2pym s THR 4 Cb -0.14 -2.99 0.36 0.00 1.34 0.00 0.00 72.50 71.06 2pym s THR 4 CO -0.07 0.00 1.22 0.18 -0.54 0.00 0.00 174.62 175.41 2pym n LEU 5 N -3.30 2.72 0.22 4.79 4.77 -1.26 -4.56 117.00 120.38 2pym n LEU 5 Ca 0.09 -3.29 0.09 0.00 -0.03 0.00 0.00 56.01 52.87 2pym n LEU 5 Cb 0.61 -0.48 0.47 0.00 -2.33 0.00 0.00 43.42 41.69 2pym n LEU 5 CO 0.54 0.88 0.80 -0.50 -1.33 0.00 0.00 177.39 177.78 2pym h TRP 6 N 0.49 0.00 -2.59 -1.77 4.06 -2.07 -3.43 115.95 110.65 2pym h TRP 6 Ca 0.01 0.00 -0.54 0.00 2.06 0.00 0.00 58.89 60.43 2pym h TRP 6 Cb 1.09 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.11 2pym h TRP 6 CO 0.28 0.25 -0.75 -0.65 -3.56 0.00 0.00 178.44 174.01 2pym s GLN 7 N -3.75 1.50 0.17 0.49 -1.52 -1.26 -5.10 119.66 110.18 2pym s GLN 7 Ca -0.00 -1.66 -0.34 0.00 -1.95 0.00 0.00 55.36 51.41 2pym s GLN 7 Cb 0.11 -1.46 -0.14 0.00 -0.22 0.00 0.00 33.01 31.30 2pym s GLN 7 CO 0.64 0.26 1.53 0.54 -0.25 0.00 0.00 175.29 178.02 2pym n ARG 8 N -0.44 2.06 -2.19 2.91 1.74 -1.26 -4.85 116.66 114.64 2pym n ARG 8 Ca -0.07 0.74 -0.40 0.00 -0.77 0.00 0.00 57.85 57.35 2pym n ARG 8 Cb 0.60 -2.48 -0.01 0.00 -1.02 0.00 0.00 32.46 29.54 2pym n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2pym n PRO 9 N 3.12 2.73 -3.50 5.56 -0.04 -1.26 -4.94 135.00 136.66 2pym n PRO 9 Ca 0.16 -2.88 -0.37 0.00 -0.04 0.00 0.00 63.50 60.38 2pym n PRO 9 Cb 0.29 -3.44 -0.07 0.00 -0.04 0.00 0.00 33.50 30.23 2pym n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2pym s LEU 10 N 4.63 4.24 0.27 1.53 1.43 -1.26 -1.15 118.68 128.36 2pym s LEU 10 Ca 0.55 0.54 0.08 0.00 -1.03 0.00 0.00 54.13 54.26 2pym s LEU 10 Cb 0.06 -2.41 -0.05 0.00 0.03 0.00 0.00 46.19 43.81 2pym s LEU 10 CO 0.05 0.07 -0.10 0.68 0.23 0.00 0.00 176.35 177.28 2pym s VAL 11 N 0.55 1.84 0.08 -1.59 -7.23 0.68 -4.92 120.40 109.81 2pym s VAL 11 Ca 0.18 -2.19 -0.24 0.00 -1.81 0.00 0.00 61.98 57.91 2pym s VAL 11 Cb -0.13 -2.34 -0.06 0.00 0.56 0.00 0.00 36.38 34.40 2pym s VAL 11 CO 0.05 -0.38 0.73 -0.89 -0.31 0.00 0.00 175.10 174.30 2pym s THR 12 N -2.90 4.63 0.15 5.32 2.01 -1.26 -0.87 115.64 122.72 2pym s THR 12 Ca 0.28 1.58 0.09 0.00 0.31 0.00 0.00 61.69 63.94 2pym s THR 12 Cb 0.01 -4.08 -0.04 0.00 0.01 0.00 0.00 72.50 68.40 2pym s THR 12 CO 0.11 0.44 -0.20 0.27 -0.69 0.00 0.00 174.62 174.56 2pym s ILE 13 N -0.54 1.83 -0.12 1.82 -4.36 0.66 -2.36 121.20 118.14 2pym s ILE 13 Ca 0.36 -1.80 0.03 0.00 -0.26 0.00 0.00 60.65 58.97 2pym s ILE 13 Cb -0.21 -1.77 0.01 0.00 1.25 0.00 0.00 42.46 41.73 2pym s ILE 13 CO 0.23 -0.21 -0.20 -0.75 0.24 0.00 0.00 174.94 174.25 2pym s LYS 14 N -2.48 2.76 -0.16 0.37 2.20 -0.17 -1.24 119.74 121.02 2pym s LYS 14 Ca 0.13 -0.77 -0.10 0.00 -0.36 0.00 0.00 55.97 54.87 2pym s LYS 14 Cb -0.07 -2.22 0.05 0.00 -1.51 0.00 0.00 37.83 34.08 2pym s LYS 14 CO 0.06 0.02 0.39 -1.50 -0.36 0.00 0.00 175.35 173.96 2pym s ILE 15 N 0.75 -0.02 -1.40 5.43 2.07 -0.06 -1.02 121.20 126.95 2pym s ILE 15 Ca -0.10 0.06 -0.06 0.00 -1.41 0.00 0.00 60.65 59.15 2pym s ILE 15 Cb -0.16 -0.57 0.03 0.00 0.13 0.00 0.00 42.46 41.89 2pym s ILE 15 CO 0.01 0.03 0.47 0.61 -1.91 0.00 0.00 174.94 174.14 2pym n GLY 16 N 3.77 -0.50 2.78 1.50 0.00 -1.26 -1.02 105.19 110.45 2pym n GLY 16 Ca -0.20 0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.92 2pym n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pym n GLY 17 N -1.28 1.12 3.63 -0.02 0.00 -1.26 -5.02 105.19 102.36 2pym n GLY 17 Ca -0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 2pym n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2pym s GLN 18 N -0.07 2.38 -0.17 1.61 -0.21 -0.19 -5.12 119.66 117.89 2pym s GLN 18 Ca 0.00 -0.89 -0.06 0.00 0.02 0.00 0.00 55.36 54.42 2pym s GLN 18 Cb 0.00 -2.44 -0.04 0.00 1.00 0.00 0.00 33.01 31.53 2pym s GLN 18 CO 0.00 0.54 0.04 -0.51 -2.12 0.00 0.00 175.29 173.24 2pym s LEU 19 N -2.13 3.73 0.08 2.90 1.43 -1.26 -0.88 118.68 122.54 2pym s LEU 19 Ca 0.23 0.07 -0.03 0.00 -1.03 0.00 0.00 54.13 53.37 2pym s LEU 19 Cb -0.11 -1.92 -0.03 0.00 0.03 0.00 0.00 46.19 44.15 2pym s LEU 19 CO 0.15 0.20 0.04 -0.54 0.23 0.00 0.00 176.35 176.43 2pym s LYS 20 N 0.19 0.73 -0.10 1.70 1.02 -0.38 -5.00 119.74 117.90 2pym s LYS 20 Ca 0.03 -1.20 -0.07 0.00 0.02 0.00 0.00 55.97 54.75 2pym s LYS 20 Cb -0.13 0.25 -0.04 0.00 -0.52 0.00 0.00 37.83 37.39 2pym s LYS 20 CO 0.01 -0.18 0.16 -1.21 -0.92 0.00 0.00 175.35 173.21 2pym s GLU 21 N -3.93 3.47 0.03 1.68 0.41 -1.26 -0.24 118.70 118.86 2pym s GLU 21 Ca 0.10 -0.12 -0.06 0.00 -0.41 0.00 0.00 54.97 54.48 2pym s GLU 21 Cb 0.07 -3.18 -0.01 0.00 -1.78 0.00 0.00 34.13 29.24 2pym s GLU 21 CO -0.08 0.76 0.10 0.00 -0.49 0.00 0.00 175.26 175.55 2pym s ALA 22 N -1.08 -0.12 -0.22 5.21 0.00 -0.04 -4.44 121.76 121.08 2pym s ALA 22 Ca 0.17 -0.48 -0.15 0.00 0.00 0.00 0.00 51.96 51.51 2pym s ALA 22 Cb -0.12 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.19 2pym s ALA 22 CO 0.07 -0.30 0.37 -1.17 0.00 0.00 0.00 175.76 174.72 2pym s LEU 23 N -2.00 4.13 -0.37 0.00 2.96 0.62 -0.23 118.68 123.78 2pym s LEU 23 Ca -0.07 0.44 -0.29 0.00 -0.22 0.00 0.00 54.13 53.99 2pym s LEU 23 Cb -0.02 -2.46 0.00 0.00 0.50 0.00 0.00 46.19 44.21 2pym s LEU 23 CO -0.04 -0.08 1.48 -0.76 -1.32 0.00 0.00 176.35 175.64 2pym s LEU 24 N 1.40 3.62 -0.39 -0.68 1.43 -0.30 -0.83 118.68 122.93 2pym s LEU 24 Ca 0.17 1.00 0.02 0.00 -1.03 0.00 0.00 54.13 54.30 2pym s LEU 24 Cb -0.15 -3.54 0.11 0.00 0.03 0.00 0.00 46.19 42.65 2pym s LEU 24 CO 0.08 -1.44 0.14 -0.62 0.23 0.00 0.00 176.35 174.74 2pym s ASP 25 N 4.22 4.29 0.27 2.29 -1.08 -0.21 -4.79 116.67 121.66 2pym s ASP 25 Ca 0.65 -2.29 0.24 0.00 -0.52 0.00 0.00 52.55 50.63 2pym s ASP 25 Cb -0.16 -1.34 0.98 0.00 -1.46 0.00 0.00 42.92 40.94 2pym s ASP 25 CO 0.32 -0.34 1.73 0.35 0.52 0.00 0.00 175.17 177.74 2pym n THR 26 N 4.04 0.80 1.47 1.71 -2.24 -1.26 -2.21 114.28 116.58 2pym n THR 26 Ca 0.04 0.19 0.14 0.00 -2.27 0.00 0.00 64.05 62.14 2pym n THR 26 Cb 0.39 -1.12 0.62 0.00 -2.10 0.00 0.00 70.33 68.11 2pym n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pym n GLY 27 N 0.11 -0.81 3.62 3.38 0.00 -1.26 -4.81 105.19 105.41 2pym n GLY 27 Ca 0.02 -0.29 -0.34 0.00 0.00 0.00 0.00 46.02 45.41 2pym n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pym s ALA 28 N -2.37 3.33 0.18 4.61 0.00 -0.94 -4.98 121.76 121.59 2pym s ALA 28 Ca 0.32 -0.76 -0.01 0.00 0.00 0.00 0.00 51.96 51.51 2pym s ALA 28 Cb 0.20 -1.82 0.07 0.00 0.00 0.00 0.00 23.12 21.57 2pym s ALA 28 CO 0.45 0.23 1.44 -0.44 0.00 0.00 0.00 175.76 177.44 2pym h ASP 29 N 6.53 0.45 -2.62 0.00 3.32 -1.87 0.11 116.42 122.34 2pym h ASP 29 Ca -0.37 -0.30 -0.60 0.00 0.02 0.00 0.00 57.03 55.78 2pym h ASP 29 Cb 1.17 -0.13 -0.15 0.00 0.22 0.00 0.00 39.33 40.44 2pym h ASP 29 CO 0.68 1.04 -0.78 0.20 -1.72 0.00 0.00 179.24 178.66 2pym s ASN 30 N -6.97 3.41 -0.18 6.45 0.01 -1.26 -2.96 114.94 113.45 2pym s ASN 30 Ca -0.05 -0.98 -0.15 0.00 -0.71 0.00 0.00 52.86 50.96 2pym s ASN 30 Cb 0.10 -0.27 -0.04 0.00 0.41 0.00 0.00 41.25 41.46 2pym s ASN 30 CO 0.84 0.04 0.37 -0.89 -1.51 0.00 0.00 177.10 175.95 2pym s THR 31 N -2.31 5.24 -0.08 1.60 2.01 -1.26 -3.46 115.64 117.37 2pym s THR 31 Ca 0.26 0.68 0.01 0.00 0.31 0.00 0.00 61.69 62.95 2pym s THR 31 Cb -0.05 -3.71 0.02 0.00 0.01 0.00 0.00 72.50 68.77 2pym s THR 31 CO 0.13 0.31 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.59 2pym s VAL 32 N 0.93 0.93 0.11 3.82 1.01 0.07 -0.99 120.40 126.27 2pym s VAL 32 Ca 0.19 -0.29 0.09 0.00 0.00 0.00 0.00 61.98 61.97 2pym s VAL 32 Cb -0.14 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.27 2pym s VAL 32 CO 0.07 0.33 -0.19 -0.76 0.00 0.00 0.00 175.10 174.55 2pym s LEU 33 N 1.28 2.64 1.03 3.92 1.43 0.87 0.08 118.68 129.93 2pym s LEU 33 Ca -0.04 -0.56 -0.11 0.00 -1.03 0.00 0.00 54.13 52.39 2pym s LEU 33 Cb -0.14 -1.50 0.21 0.00 0.03 0.00 0.00 46.19 44.79 2pym s LEU 33 CO -0.03 0.19 1.08 -0.62 0.23 0.00 0.00 176.35 177.20 2pym n GLU 34 N 0.93 -1.29 -1.53 1.70 1.02 -1.26 -1.44 120.64 118.77 2pym n GLU 34 Ca -0.16 -0.33 -0.54 0.00 -0.02 0.00 0.00 57.16 56.11 2pym n GLU 34 Cb 0.53 -2.28 -0.06 0.00 -0.02 0.00 0.00 31.44 29.60 2pym n GLU 34 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2pym n GLU 35 N -4.50 0.51 -3.60 3.49 -0.58 -1.24 -4.58 120.64 110.14 2pym n GLU 35 Ca 0.08 0.18 -0.05 0.00 -0.42 0.00 0.00 57.16 56.96 2pym n GLU 35 Cb 0.53 -1.67 -0.02 0.00 -0.57 0.00 0.00 31.44 29.71 2pym n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2pym s MET 36 N -0.04 0.73 0.02 3.49 0.23 -1.26 -5.04 119.30 117.43 2pym s MET 36 Ca 0.83 -0.33 -0.01 0.00 -1.03 0.00 0.00 55.69 55.16 2pym s MET 36 Cb -1.08 0.30 -0.04 0.00 -1.53 0.00 0.00 34.83 32.48 2pym s MET 36 CO 0.53 -0.33 0.14 -1.54 -2.03 0.00 0.00 175.02 171.79 2pym s SER 37 N -2.59 6.01 0.09 -1.18 1.04 -1.26 -5.03 113.70 110.78 2pym s SER 37 Ca 0.09 0.21 0.01 0.00 0.48 0.00 0.00 55.95 56.74 2pym s SER 37 Cb -0.00 -1.79 -0.04 0.00 0.10 0.00 0.00 66.02 64.28 2pym s SER 37 CO -0.05 0.24 -0.04 -0.76 0.98 0.00 0.00 173.24 173.61 2pym s LEU 38 N -2.04 2.41 0.47 2.42 1.43 -1.26 -4.92 118.68 117.19 2pym s LEU 38 Ca 0.27 -1.04 -0.20 0.00 -1.03 0.00 0.00 54.13 52.14 2pym s LEU 38 Cb -0.12 0.05 -0.10 0.00 0.03 0.00 0.00 46.19 46.05 2pym s LEU 38 CO 0.19 -0.54 0.98 -2.16 0.23 0.00 0.00 176.35 175.05 2pym s PRO 39 N -3.89 4.05 0.69 1.29 0.04 -1.26 -4.93 135.00 130.99 2pym s PRO 39 Ca 0.12 1.13 0.00 0.00 0.04 0.00 0.00 61.00 62.30 2pym s PRO 39 Cb 0.06 -2.15 0.00 0.00 0.04 0.00 0.00 34.50 32.46 2pym s PRO 39 CO -0.05 -0.19 0.00 0.41 0.04 0.00 0.00 177.00 177.21 2pym n GLY 40 N -0.78 -1.81 3.88 0.56 0.00 -1.26 -4.87 105.19 100.91 2pym n GLY 40 Ca 0.07 -1.72 -0.30 0.00 0.00 0.00 0.00 46.02 44.07 2pym n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pym s ALA 41 N -1.52 2.95 0.04 4.61 0.00 -1.26 -5.11 121.76 121.47 2pym s ALA 41 Ca 0.00 -0.32 -0.00 0.00 0.00 0.00 0.00 51.96 51.63 2pym s ALA 41 Cb 0.00 -3.01 -0.03 0.00 0.00 0.00 0.00 23.12 20.08 2pym s ALA 41 CO 0.00 -1.05 -0.03 1.67 0.00 0.00 0.00 175.76 176.35 2pym s TRP 42 N -3.31 0.43 -0.03 0.00 1.48 -1.26 -4.47 118.94 111.78 2pym s TRP 42 Ca 0.57 -0.81 0.06 0.00 -1.06 0.00 0.00 56.10 54.87 2pym s TRP 42 Cb -0.11 -0.31 -0.01 0.00 -1.16 0.00 0.00 33.47 31.87 2pym s TRP 42 CO 0.52 -0.28 -0.22 0.15 -4.06 0.00 0.00 176.95 173.06 2pym s LYS 43 N -2.77 1.96 0.39 3.25 1.02 -0.69 -4.90 119.74 118.00 2pym s LYS 43 Ca -0.03 -0.80 -0.27 0.00 0.02 0.00 0.00 55.97 54.89 2pym s LYS 43 Cb -0.01 -1.81 -0.10 0.00 -0.52 0.00 0.00 37.83 35.40 2pym s LYS 43 CO -0.05 0.43 1.39 -1.25 -0.92 0.00 0.00 175.35 174.95 2pym s PRO 44 N -0.37 4.05 -0.02 -1.68 0.04 -1.26 -1.09 135.00 134.67 2pym s PRO 44 Ca 0.04 2.37 -0.15 0.00 0.04 0.00 0.00 61.00 63.31 2pym s PRO 44 Cb -0.10 -2.89 0.02 0.00 0.04 0.00 0.00 34.50 31.58 2pym s PRO 44 CO 0.00 -0.50 0.31 0.21 0.04 0.00 0.00 177.00 177.07 2pym s LYS 45 N -2.13 0.67 -0.07 4.56 2.36 -0.39 -4.87 119.74 119.87 2pym s LYS 45 Ca 0.54 -0.17 0.05 0.00 -2.55 0.00 0.00 55.97 53.84 2pym s LYS 45 Cb -0.43 0.30 -0.00 0.00 -1.05 0.00 0.00 37.83 36.65 2pym s LYS 45 CO 0.56 -0.18 -0.22 -1.64 1.55 0.00 0.00 175.35 175.42 2pym s MET 46 N -1.30 2.55 0.01 4.03 -1.94 -1.26 -0.26 119.30 121.13 2pym s MET 46 Ca -0.13 -0.80 0.06 0.00 -1.71 0.00 0.00 55.69 53.11 2pym s MET 46 Cb -0.05 -2.04 -0.02 0.00 2.01 0.00 0.00 34.83 34.73 2pym s MET 46 CO 0.04 0.24 -0.17 0.96 -0.01 0.00 0.00 175.02 176.08 2pym s ILE 47 N 0.16 1.38 0.04 2.53 -4.36 -0.58 -4.98 121.20 115.41 2pym s ILE 47 Ca -0.11 -0.91 0.06 0.00 -0.26 0.00 0.00 60.65 59.42 2pym s ILE 47 Cb -0.15 -1.19 -0.03 0.00 1.25 0.00 0.00 42.46 42.34 2pym s ILE 47 CO 0.06 0.25 -0.12 -0.83 0.24 0.00 0.00 174.94 174.54 2pym s GLY 48 N -0.77 1.70 0.00 6.27 0.00 -1.26 -1.04 107.32 112.21 2pym s GLY 48 Ca 0.06 -1.14 0.00 0.00 0.00 0.00 0.00 44.72 43.63 2pym s GLY 48 CO 0.00 -1.05 0.00 0.61 0.00 0.00 0.00 173.10 172.66 2pym n GLY 49 N 1.31 5.31 3.76 0.20 0.00 -0.76 -5.01 105.19 109.99 2pym n GLY 49 Ca -0.15 -1.39 -0.41 0.00 0.00 0.00 0.00 46.02 44.07 2pym n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pym s ILE 50 N 1.44 3.06 0.00 -0.61 1.01 -1.26 -3.91 121.20 120.93 2pym s ILE 50 Ca 0.00 1.02 0.00 0.00 0.00 0.00 0.00 60.65 61.67 2pym s ILE 50 Cb 0.00 -3.65 0.00 0.00 0.01 0.00 0.00 42.46 38.82 2pym s ILE 50 CO 0.00 0.22 0.00 0.61 0.00 0.00 0.00 174.94 175.77 2pym n GLY 51 N 1.28 2.75 0.00 6.18 0.00 -1.26 -4.90 105.19 109.23 2pym n GLY 51 Ca 0.01 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.79 2pym n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pym n GLY 52 N 0.00 -0.57 3.34 -0.02 0.00 -1.25 -5.16 105.19 101.53 2pym n GLY 52 Ca 0.00 -0.74 -0.22 0.00 0.00 0.00 0.00 46.02 45.06 2pym n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2pym s PHE 53 N -3.46 1.87 0.08 1.61 0.08 -1.26 -1.83 117.98 115.06 2pym s PHE 53 Ca 0.00 -0.46 0.06 0.00 0.12 0.00 0.00 56.93 56.65 2pym s PHE 53 Cb 0.00 -0.93 -0.03 0.00 -0.57 0.00 0.00 43.02 41.49 2pym s PHE 53 CO 0.00 0.35 -0.15 0.96 -0.10 0.00 0.00 175.22 176.28 2pym s ILE 54 N -2.02 1.24 -0.03 0.64 -4.36 -0.21 -4.99 121.20 111.48 2pym s ILE 54 Ca 0.16 -1.39 -0.22 0.00 -0.26 0.00 0.00 60.65 58.95 2pym s ILE 54 Cb -0.06 -1.20 -0.05 0.00 1.25 0.00 0.00 42.46 42.40 2pym s ILE 54 CO 0.07 -0.21 0.63 -0.75 0.24 0.00 0.00 174.94 174.92 2pym s LYS 55 N -1.85 4.37 0.10 0.37 2.47 -1.26 -1.53 119.74 122.41 2pym s LYS 55 Ca 0.00 0.78 0.02 0.00 -1.56 0.00 0.00 55.97 55.22 2pym s LYS 55 Cb -0.10 -3.38 -0.04 0.00 -1.46 0.00 0.00 37.83 32.85 2pym s LYS 55 CO 0.03 0.25 -0.07 0.14 0.16 0.00 0.00 175.35 175.85 2pym s VAL 56 N 0.19 0.74 -0.22 4.02 -7.23 0.64 -4.33 120.40 114.22 2pym s VAL 56 Ca 0.33 -1.83 -0.10 0.00 -1.81 0.00 0.00 61.98 58.57 2pym s VAL 56 Cb -0.18 -1.55 -0.05 0.00 0.56 0.00 0.00 36.38 35.16 2pym s VAL 56 CO 0.17 -0.78 0.14 -0.13 -0.31 0.00 0.00 175.10 174.19 2pym s ARG 57 N -3.49 4.10 -0.23 4.82 0.52 0.13 -1.26 118.95 123.54 2pym s ARG 57 Ca 0.09 -0.26 -0.13 0.00 -0.52 0.00 0.00 55.73 54.91 2pym s ARG 57 Cb 0.03 -3.46 -0.04 0.00 0.52 0.00 0.00 34.95 31.99 2pym s ARG 57 CO -0.03 0.16 0.26 -1.14 0.02 0.00 0.00 175.30 174.58 2pym s GLN 58 N 0.74 4.09 -0.09 3.54 0.74 -0.25 0.03 119.66 128.46 2pym s GLN 58 Ca 0.07 -0.08 0.02 0.00 0.05 0.00 0.00 55.36 55.42 2pym s GLN 58 Cb -0.12 -3.56 -0.02 0.00 1.10 0.00 0.00 33.01 30.41 2pym s GLN 58 CO 0.02 -0.03 -0.16 0.71 -0.55 0.00 0.00 175.29 175.28 2pym s TYR 59 N 1.30 2.70 0.19 1.67 2.02 0.40 -1.69 117.35 123.93 2pym s TYR 59 Ca 0.12 -0.57 0.04 0.00 -0.37 0.00 0.00 57.07 56.29 2pym s TYR 59 Cb -0.14 -1.73 -0.03 0.00 -0.40 0.00 0.00 41.96 39.65 2pym s TYR 59 CO 0.07 -0.13 0.25 -0.51 -1.57 0.00 0.00 175.55 173.66 2pym s ASP 60 N -0.02 6.03 -1.46 2.29 1.01 -1.26 -0.19 116.67 123.08 2pym s ASP 60 Ca -0.05 0.02 -0.06 0.00 0.71 0.00 0.00 52.55 53.17 2pym s ASP 60 Cb -0.14 -1.72 0.05 0.00 1.01 0.00 0.00 42.92 42.11 2pym s ASP 60 CO 0.04 0.02 0.70 0.00 0.21 0.00 0.00 175.17 176.14 2pym n GLN 61 N -0.77 -4.31 -3.38 8.23 6.02 -1.20 -4.92 117.38 117.05 2pym n GLN 61 Ca -0.08 0.51 -0.38 0.00 -0.01 0.00 0.00 57.00 57.04 2pym n GLN 61 Cb 0.55 -5.05 -0.06 0.00 1.02 0.00 0.00 30.24 26.70 2pym n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2pym s ILE 62 N -3.61 5.18 -0.09 5.09 -1.09 -0.44 -4.83 121.20 121.41 2pym s ILE 62 Ca 0.29 0.87 -0.30 0.00 -2.23 0.00 0.00 60.65 59.29 2pym s ILE 62 Cb -0.15 -3.77 -0.02 0.00 -1.58 0.00 0.00 42.46 36.94 2pym s ILE 62 CO 0.86 0.37 1.06 -0.22 -1.23 0.00 0.00 174.94 175.78 2pym s LEU 63 N 0.34 4.26 0.01 2.97 2.96 -1.26 -1.86 118.68 126.09 2pym s LEU 63 Ca 0.24 1.61 0.04 0.00 -0.22 0.00 0.00 54.13 55.79 2pym s LEU 63 Cb -0.15 -3.56 -0.01 0.00 0.50 0.00 0.00 46.19 42.97 2pym s LEU 63 CO 0.10 -0.48 -0.12 -0.51 -1.32 0.00 0.00 176.35 174.02 2pym s ILE 64 N 2.04 0.92 -0.25 6.68 2.07 0.61 -4.39 121.20 128.88 2pym s ILE 64 Ca 0.50 -0.70 -0.07 0.00 -1.41 0.00 0.00 60.65 58.98 2pym s ILE 64 Cb -0.20 -0.81 -0.02 0.00 0.13 0.00 0.00 42.46 41.56 2pym s ILE 64 CO 0.19 0.11 0.07 -0.70 -1.91 0.00 0.00 174.94 172.70 2pym s GLU 65 N -0.66 3.59 -0.13 3.50 2.12 -0.19 -0.23 118.70 126.69 2pym s GLU 65 Ca 0.02 -0.52 0.00 0.00 0.36 0.00 0.00 54.97 54.83 2pym s GLU 65 Cb -0.06 -3.32 0.02 0.00 0.26 0.00 0.00 34.13 31.04 2pym s GLU 65 CO 0.00 -0.22 -0.13 0.42 -0.54 0.00 0.00 175.26 174.80 2pym s ILE 66 N 1.60 1.43 -1.06 -3.70 1.01 0.21 -1.00 121.20 119.68 2pym s ILE 66 Ca 0.06 -0.55 -0.11 0.00 0.00 0.00 0.00 60.65 60.04 2pym s ILE 66 Cb -0.15 -1.36 0.11 0.00 0.01 0.00 0.00 42.46 41.07 2pym s ILE 66 CO 0.03 0.44 0.35 0.00 0.00 0.00 0.00 174.94 175.76 2pym n GLY 68 N -0.89 0.14 3.24 0.00 0.00 -1.26 -5.05 105.19 101.37 2pym n GLY 68 Ca 0.04 -0.63 -0.32 0.00 0.00 0.00 0.00 46.02 45.11 2pym n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2pym s HIS 69 N -2.34 2.47 0.06 1.61 4.02 0.84 -5.12 115.29 116.83 2pym s HIS 69 Ca 0.01 -0.88 -0.22 0.00 1.02 0.00 0.00 55.06 55.00 2pym s HIS 69 Cb -0.00 -1.64 -0.06 0.00 -1.02 0.00 0.00 32.58 29.86 2pym s HIS 69 CO 0.01 -0.32 0.65 0.15 1.02 0.00 0.00 174.74 176.25 2pym s LYS 70 N 0.09 4.35 0.03 1.40 1.02 -1.26 0.64 119.74 126.02 2pym s LYS 70 Ca -0.11 0.86 -0.03 0.00 0.02 0.00 0.00 55.97 56.71 2pym s LYS 70 Cb -0.16 -3.30 -0.02 0.00 -0.52 0.00 0.00 37.83 33.83 2pym s LYS 70 CO 0.06 0.47 0.04 0.00 -0.92 0.00 0.00 175.35 175.01 2pym s ALA 71 N -0.62 0.07 -0.25 5.17 0.00 0.68 -4.88 121.76 121.93 2pym s ALA 71 Ca 0.32 -0.65 -0.00 0.00 0.00 0.00 0.00 51.96 51.63 2pym s ALA 71 Cb -0.20 0.22 0.07 0.00 0.00 0.00 0.00 23.12 23.21 2pym s ALA 71 CO 0.20 -0.28 0.00 0.42 0.00 0.00 0.00 175.76 176.11 2pym s ILE 72 N -2.43 1.20 0.23 0.00 1.01 -1.26 -0.29 121.20 119.66 2pym s ILE 72 Ca -0.07 -1.16 0.03 0.00 0.00 0.00 0.00 60.65 59.45 2pym s ILE 72 Cb -0.02 -1.64 -0.01 0.00 0.01 0.00 0.00 42.46 40.80 2pym s ILE 72 CO -0.04 -0.27 0.24 0.61 0.00 0.00 0.00 174.94 175.48 2pym n GLY 73 N 4.77 2.98 3.71 6.18 0.00 -0.78 -4.81 105.19 117.24 2pym n GLY 73 Ca -0.08 -1.72 -0.42 0.00 0.00 0.00 0.00 46.02 43.80 2pym n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pym s THR 74 N -2.84 4.90 -0.11 2.61 2.01 -1.26 -1.33 115.64 119.61 2pym s THR 74 Ca 0.25 1.95 0.02 0.00 0.31 0.00 0.00 61.69 64.21 2pym s THR 74 Cb 0.01 -4.27 -0.01 0.00 0.01 0.00 0.00 72.50 68.24 2pym s THR 74 CO 0.17 0.17 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.40 2pym s VAL 75 N 1.03 2.63 -0.10 3.82 1.01 0.73 -4.52 120.40 124.99 2pym s VAL 75 Ca 0.49 -0.82 -0.12 0.00 0.00 0.00 0.00 61.98 61.53 2pym s VAL 75 Cb -0.20 -2.06 -0.05 0.00 0.00 0.00 0.00 36.38 34.07 2pym s VAL 75 CO 0.26 0.54 0.27 -0.76 0.00 0.00 0.00 175.10 175.41 2pym s LEU 76 N 0.27 4.35 -0.13 3.92 1.02 -0.16 -0.45 118.68 127.50 2pym s LEU 76 Ca -0.13 0.61 0.02 0.00 0.02 0.00 0.00 54.13 54.66 2pym s LEU 76 Cb -0.16 -2.32 0.01 0.00 0.02 0.00 0.00 46.19 43.73 2pym s LEU 76 CO 0.07 0.27 -0.21 -0.69 0.02 0.00 0.00 176.35 175.81 2pym s VAL 77 N -0.45 1.94 -0.02 -1.59 1.01 0.10 -0.09 120.40 121.31 2pym s VAL 77 Ca 0.18 -0.91 -0.11 0.00 0.00 0.00 0.00 61.98 61.14 2pym s VAL 77 Cb -0.14 -1.72 0.04 0.00 0.00 0.00 0.00 36.38 34.55 2pym s VAL 77 CO 0.06 0.53 0.49 0.61 0.00 0.00 0.00 175.10 176.79 2pym n GLY 78 N 4.08 0.41 2.50 4.51 0.00 -0.52 0.17 105.19 116.33 2pym n GLY 78 Ca -0.20 -0.90 -0.31 0.00 0.00 0.00 0.00 46.02 44.61 2pym n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2pym n PRO 79 N -0.36 2.82 -3.42 1.61 -0.04 -1.26 -3.69 135.00 130.66 2pym n PRO 79 Ca 0.02 -1.85 -0.38 0.00 -0.04 0.00 0.00 63.50 61.25 2pym n PRO 79 Cb 0.22 -2.66 -0.06 0.00 -0.04 0.00 0.00 33.50 30.96 2pym n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2pym s THR 80 N 2.90 4.99 -0.93 0.52 -1.32 -1.26 -4.99 115.64 115.55 2pym s THR 80 Ca 0.54 0.94 0.25 0.00 -1.21 0.00 0.00 61.69 62.20 2pym s THR 80 Cb 0.14 -3.77 0.22 0.00 -1.51 0.00 0.00 72.50 67.58 2pym s THR 80 CO -0.04 0.53 1.79 -0.81 -2.21 0.00 0.00 174.62 173.88 2pym n PRO 81 N 2.10 0.05 -3.85 7.08 -0.04 -1.26 -4.53 135.00 134.55 2pym n PRO 81 Ca -0.12 0.11 -0.13 0.00 -0.04 0.00 0.00 63.50 63.33 2pym n PRO 81 Cb 0.52 -1.56 -0.14 0.00 -0.04 0.00 0.00 33.50 32.27 2pym n PRO 81 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2pym s VAL 82 N -3.03 -0.01 0.05 0.52 1.01 -1.26 -5.07 120.40 112.60 2pym s VAL 82 Ca 0.11 0.05 -0.31 0.00 0.00 0.00 0.00 61.98 61.84 2pym s VAL 82 Cb 0.15 -0.04 -0.07 0.00 0.00 0.00 0.00 36.38 36.43 2pym s VAL 82 CO 0.47 0.02 1.46 0.20 0.00 0.00 0.00 175.10 177.25 2pym s ASN 83 N 0.24 6.78 -0.19 3.32 0.01 -1.26 -4.71 114.94 119.13 2pym s ASN 83 Ca -0.02 2.28 -0.01 0.00 -0.71 0.00 0.00 52.86 54.40 2pym s ASN 83 Cb -0.03 -2.57 0.00 0.00 0.41 0.00 0.00 41.25 39.06 2pym s ASN 83 CO -0.01 -0.74 -0.12 -0.63 -1.51 0.00 0.00 177.10 174.09 2pym s ILE 84 N 2.05 2.79 -0.38 0.60 -1.09 0.11 -0.28 121.20 125.00 2pym s ILE 84 Ca 0.67 -0.70 -0.16 0.00 -2.23 0.00 0.00 60.65 58.22 2pym s ILE 84 Cb -0.35 -2.22 0.01 0.00 -1.58 0.00 0.00 42.46 38.31 2pym s ILE 84 CO 0.29 0.48 0.41 -0.63 -1.23 0.00 0.00 174.94 174.26 2pym s ILE 85 N 1.21 5.12 0.41 2.92 -1.09 -0.01 -0.75 121.20 129.01 2pym s ILE 85 Ca 0.02 -0.15 0.04 0.00 -2.23 0.00 0.00 60.65 58.33 2pym s ILE 85 Cb -0.14 -3.94 0.08 0.00 -1.58 0.00 0.00 42.46 36.88 2pym s ILE 85 CO -0.05 -0.27 0.57 0.61 -1.23 0.00 0.00 174.94 174.57 2pym n GLY 86 N 5.03 1.43 0.25 6.18 0.00 -1.22 -1.05 105.19 115.81 2pym n GLY 86 Ca -0.08 -2.11 0.09 0.00 0.00 0.00 0.00 46.02 43.91 2pym n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2pym h ARG 87 N 0.00 0.00 -0.98 1.61 3.08 -0.82 -1.70 114.38 115.57 2pym h ARG 87 Ca -0.19 0.00 0.10 0.00 0.07 0.00 0.00 59.98 59.96 2pym h ARG 87 Cb 0.80 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.77 2pym h ARG 87 CO 0.24 0.07 0.63 0.38 -1.07 0.00 0.00 179.97 180.22 2pym h ASP 88 N 0.00 0.94 0.28 7.04 2.03 -1.80 -1.24 116.42 123.68 2pym h ASP 88 Ca -0.00 0.03 -0.33 0.00 -0.73 0.00 0.00 57.03 56.00 2pym h ASP 88 Cb 0.14 -0.16 -0.05 0.00 -0.83 0.00 0.00 39.33 38.43 2pym h ASP 88 CO 0.01 0.54 -1.96 0.18 -1.03 0.00 0.00 179.24 176.98 2pym n LEU 89 N -4.56 1.17 -0.28 0.15 4.32 -0.97 -4.04 117.00 112.80 2pym n LEU 89 Ca 0.17 0.25 -0.01 0.00 -0.02 0.00 0.00 56.01 56.40 2pym n LEU 89 Cb 0.29 -0.08 0.11 0.00 -1.62 0.00 0.00 43.42 42.12 2pym n LEU 89 CO 0.30 0.54 1.16 -0.07 -1.22 0.00 0.00 177.39 178.10 2pym h LEU 90 N 0.01 0.75 -1.33 2.23 3.38 -0.97 -1.32 115.31 118.07 2pym h LEU 90 Ca -0.39 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.57 2pym h LEU 90 Cb 2.06 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 42.64 2pym h LEU 90 CO 0.06 0.50 0.19 0.71 0.09 0.00 0.00 178.44 179.99 2pym h THR 91 N 0.89 1.17 0.00 0.22 1.35 -1.42 -1.42 112.91 113.70 2pym h THR 91 Ca 0.33 -0.51 -0.02 0.00 -0.55 0.00 0.00 66.41 65.65 2pym h THR 91 Cb 0.11 0.62 -0.00 0.00 -1.73 0.00 0.00 68.15 67.14 2pym h THR 91 CO -0.15 0.20 -0.10 1.56 -0.25 0.00 0.00 175.52 176.78 2pym h GLN 92 N 0.65 0.00 -0.39 4.72 1.08 -1.39 -2.39 115.11 117.40 2pym h GLN 92 Ca 0.16 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.36 2pym h GLN 92 Cb 0.12 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.55 2pym h GLN 92 CO -0.02 0.10 0.00 0.44 -0.95 0.00 0.00 178.83 178.40 2pym n ILE 93 N -3.30 0.62 -2.97 2.54 -5.35 -1.03 -4.90 119.36 104.97 2pym n ILE 93 Ca -0.00 -0.81 -0.11 0.00 -0.27 0.00 0.00 62.75 61.56 2pym n ILE 93 Cb 0.32 0.85 0.04 0.00 -1.74 0.00 0.00 39.64 39.10 2pym n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2pym n GLY 94 N 1.21 0.22 3.75 3.28 0.00 -0.90 -5.01 105.19 107.73 2pym n GLY 94 Ca 0.17 -0.23 -0.38 0.00 0.00 0.00 0.00 46.02 45.57 2pym n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pym s THR 96 N 0.21 0.98 -0.10 0.00 -4.23 -1.26 -4.67 115.64 106.57 2pym s THR 96 Ca 0.28 -1.65 -0.18 0.00 -1.18 0.00 0.00 61.69 58.96 2pym s THR 96 Cb -0.16 -1.38 -0.04 0.00 1.34 0.00 0.00 72.50 72.25 2pym s THR 96 CO 0.13 -0.55 0.49 -0.76 -0.54 0.00 0.00 174.62 173.40 2pym s LEU 97 N -2.46 4.31 -0.02 4.79 1.43 -1.26 -5.09 118.68 120.39 2pym s LEU 97 Ca 0.06 0.87 0.03 0.00 -1.03 0.00 0.00 54.13 54.06 2pym s LEU 97 Cb -0.03 -2.72 -0.00 0.00 0.03 0.00 0.00 46.19 43.47 2pym s LEU 97 CO 0.00 0.03 -0.09 0.20 0.23 0.00 0.00 176.35 176.72 2pym s ASN 98 N 0.42 1.20 0.00 2.29 -0.87 -1.26 -5.30 114.94 111.43 2pym s ASN 98 Ca 0.27 -0.19 0.00 0.00 -1.57 0.00 0.00 52.86 51.37 2pym s ASN 98 Cb -0.16 -0.24 0.00 0.00 -0.02 0.00 0.00 41.25 40.83 2pym s ASN 98 CO 0.11 0.09 0.00 2.22 -2.57 0.00 0.00 177.10 176.95