#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 3.13 -0.19 -0.52 0.74 -1.26 -5.10 119.66 116.46 2pym s GLN 2 Ca 0.00 -0.32 0.00 0.00 0.05 0.00 0.00 55.36 55.10 2pym s GLN 2 Cb 0.00 -2.92 0.04 0.00 1.10 0.00 0.00 33.01 31.23 2pym s GLN 2 CO 0.00 0.73 -0.08 0.42 -0.55 0.00 0.00 175.29 175.80 2pym s ILE 3 N -0.93 1.46 0.91 -2.34 1.01 -1.26 -5.13 121.20 114.91 2pym s ILE 3 Ca 0.14 -0.88 -0.13 0.00 0.00 0.00 0.00 60.65 59.78 2pym s ILE 3 Cb -0.12 -1.57 0.14 0.00 0.01 0.00 0.00 42.46 40.92 2pym s ILE 3 CO 0.03 0.15 1.16 0.42 0.00 0.00 0.00 174.94 176.70 2pym s THR 4 N 1.48 1.98 -0.19 2.92 -4.23 -1.26 -5.02 115.64 111.31 2pym s THR 4 Ca -0.01 0.00 0.13 0.00 -1.18 0.00 0.00 61.69 60.64 2pym s THR 4 Cb -0.16 -2.81 0.39 0.00 1.34 0.00 0.00 72.50 71.26 2pym s THR 4 CO -0.08 0.00 1.23 0.18 -0.54 0.00 0.00 174.62 175.41 2pym n LEU 5 N -3.73 2.78 0.19 4.79 4.77 -1.26 -4.63 117.00 119.92 2pym n LEU 5 Ca 0.08 -3.63 0.06 0.00 -0.03 0.00 0.00 56.01 52.49 2pym n LEU 5 Cb 0.60 -0.51 0.36 0.00 -2.33 0.00 0.00 43.42 41.53 2pym n LEU 5 CO 0.55 1.17 0.70 -0.50 -1.33 0.00 0.00 177.39 177.99 2pym h TRP 6 N 0.74 0.00 -2.54 -1.77 4.06 -2.07 -3.43 115.95 110.94 2pym h TRP 6 Ca 0.02 0.00 -0.52 0.00 2.06 0.00 0.00 58.89 60.45 2pym h TRP 6 Cb 1.08 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.10 2pym h TRP 6 CO 0.56 0.35 -0.73 -0.65 -3.56 0.00 0.00 178.44 174.41 2pym s GLN 7 N -3.63 1.53 0.16 0.49 -1.52 -1.26 -5.11 119.66 110.32 2pym s GLN 7 Ca 0.00 -1.72 -0.34 0.00 -1.95 0.00 0.00 55.36 51.36 2pym s GLN 7 Cb 0.11 -1.39 -0.15 0.00 -0.22 0.00 0.00 33.01 31.36 2pym s GLN 7 CO 0.68 0.20 1.37 0.54 -0.25 0.00 0.00 175.29 177.83 2pym n ARG 8 N -0.53 1.59 -2.26 2.91 1.74 -1.26 -4.85 116.66 114.00 2pym n ARG 8 Ca -0.06 0.57 -0.42 0.00 -0.77 0.00 0.00 57.85 57.17 2pym n ARG 8 Cb 0.61 -2.21 -0.00 0.00 -1.02 0.00 0.00 32.46 29.83 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 2.45 3.00 -3.37 5.56 -0.04 -1.26 -4.94 135.00 136.40 2pym n PRO 9 Ca 0.16 -3.00 -0.38 0.00 -0.04 0.00 0.00 63.50 60.24 2pym n PRO 9 Cb 0.25 -3.43 -0.06 0.00 -0.04 0.00 0.00 33.50 30.22 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 3.73 4.27 0.27 1.53 1.43 -1.26 -1.16 118.68 127.50 2pym s LEU 10 Ca 0.52 0.74 0.07 0.00 -1.03 0.00 0.00 54.13 54.44 2pym s LEU 10 Cb 0.07 -2.62 -0.06 0.00 0.03 0.00 0.00 46.19 43.62 2pym s LEU 10 CO 0.03 0.03 -0.07 0.68 0.23 0.00 0.00 176.35 177.24 2pym s VAL 11 N 0.55 1.71 0.04 -1.59 -7.23 0.80 -4.92 120.40 109.77 2pym s VAL 11 Ca 0.24 -2.15 -0.22 0.00 -1.81 0.00 0.00 61.98 58.04 2pym s VAL 11 Cb -0.15 -2.41 -0.06 0.00 0.56 0.00 0.00 36.38 34.33 2pym s VAL 11 CO 0.09 -0.33 0.64 -0.89 -0.31 0.00 0.00 175.10 174.30 2pym s THR 12 N -2.97 4.77 0.14 5.32 2.01 -1.26 -0.80 115.64 122.84 2pym s THR 12 Ca 0.29 1.36 0.08 0.00 0.31 0.00 0.00 61.69 63.73 2pym s THR 12 Cb 0.03 -3.98 -0.04 0.00 0.01 0.00 0.00 72.50 68.52 2pym s THR 12 CO 0.12 0.45 -0.19 0.27 -0.69 0.00 0.00 174.62 174.58 2pym s ILE 13 N -0.50 1.73 -0.12 1.82 -4.36 0.81 -1.72 121.20 118.86 2pym s ILE 13 Ca 0.32 -1.76 0.03 0.00 -0.26 0.00 0.00 60.65 58.98 2pym s ILE 13 Cb -0.20 -1.71 0.01 0.00 1.25 0.00 0.00 42.46 41.81 2pym s ILE 13 CO 0.20 -0.24 -0.22 -0.75 0.24 0.00 0.00 174.94 174.17 2pym s LYS 14 N -2.47 2.90 -0.18 0.37 2.20 -0.10 -1.22 119.74 121.25 2pym s LYS 14 Ca 0.12 -0.82 -0.13 0.00 -0.36 0.00 0.00 55.97 54.78 2pym s LYS 14 Cb -0.07 -2.28 0.05 0.00 -1.51 0.00 0.00 37.83 34.02 2pym s LYS 14 CO 0.05 0.07 0.46 -1.50 -0.36 0.00 0.00 175.35 174.07 2pym s ILE 15 N 0.61 -0.01 -1.42 5.43 2.07 -0.04 -1.10 121.20 126.73 2pym s ILE 15 Ca -0.13 0.04 -0.10 0.00 -1.41 0.00 0.00 60.65 59.05 2pym s ILE 15 Cb -0.17 -0.66 0.07 0.00 0.13 0.00 0.00 42.46 41.84 2pym s ILE 15 CO 0.03 0.02 0.66 0.61 -1.91 0.00 0.00 174.94 174.35 2pym n GLY 16 N 3.62 -0.49 2.87 1.50 0.00 -1.26 -0.97 105.19 110.44 2pym n GLY 16 Ca -0.19 0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.39 0.75 3.58 -0.02 0.00 -1.26 -5.02 105.19 101.83 2pym n GLY 17 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.18 2.28 -0.18 1.61 -0.21 -0.14 -5.12 119.66 117.72 2pym s GLN 18 Ca 0.00 -0.92 -0.08 0.00 0.02 0.00 0.00 55.36 54.38 2pym s GLN 18 Cb 0.00 -2.37 -0.04 0.00 1.00 0.00 0.00 33.01 31.59 2pym s GLN 18 CO 0.00 0.54 0.10 -0.51 -2.12 0.00 0.00 175.29 173.30 2pym s LEU 19 N -1.94 4.06 0.08 2.90 1.02 -1.26 -0.86 118.68 122.67 2pym s LEU 19 Ca 0.20 0.20 -0.05 0.00 0.02 0.00 0.00 54.13 54.50 2pym s LEU 19 Cb -0.11 -2.03 -0.02 0.00 0.02 0.00 0.00 46.19 44.05 2pym s LEU 19 CO 0.12 0.21 0.10 -0.54 0.02 0.00 0.00 176.35 176.26 2pym s LYS 20 N 0.17 0.77 -0.10 1.70 1.02 -0.35 -5.00 119.74 117.94 2pym s LYS 20 Ca 0.07 -1.09 -0.06 0.00 0.02 0.00 0.00 55.97 54.91 2pym s LYS 20 Cb -0.12 0.29 -0.04 0.00 -0.52 0.00 0.00 37.83 37.44 2pym s LYS 20 CO -0.00 -0.21 0.14 -1.21 -0.92 0.00 0.00 175.35 173.14 2pym s GLU 21 N -3.90 3.39 0.04 1.68 0.41 -1.26 -0.14 118.70 118.93 2pym s GLU 21 Ca 0.07 -0.19 -0.09 0.00 -0.41 0.00 0.00 54.97 54.35 2pym s GLU 21 Cb 0.06 -3.14 0.00 0.00 -1.78 0.00 0.00 34.13 29.28 2pym s GLU 21 CO -0.10 0.75 0.19 0.00 -0.49 0.00 0.00 175.26 175.61 2pym s ALA 22 N -1.07 -0.34 -0.22 5.21 0.00 0.02 -4.42 121.76 120.93 2pym s ALA 22 Ca 0.17 -0.31 -0.11 0.00 0.00 0.00 0.00 51.96 51.71 2pym s ALA 22 Cb -0.12 0.28 -0.05 0.00 0.00 0.00 0.00 23.12 23.23 2pym s ALA 22 CO 0.07 -0.36 0.18 -1.17 0.00 0.00 0.00 175.76 174.48 2pym s LEU 23 N -2.10 4.15 -0.25 0.00 2.96 0.29 -0.14 118.68 123.59 2pym s LEU 23 Ca -0.05 0.19 -0.29 0.00 -0.22 0.00 0.00 54.13 53.76 2pym s LEU 23 Cb -0.01 -2.15 -0.00 0.00 0.50 0.00 0.00 46.19 44.53 2pym s LEU 23 CO -0.04 0.08 1.26 -0.76 -1.32 0.00 0.00 176.35 175.57 2pym s LEU 24 N 0.88 3.99 -0.34 -0.68 1.43 -0.31 -0.88 118.68 122.76 2pym s LEU 24 Ca 0.09 1.36 0.01 0.00 -1.03 0.00 0.00 54.13 54.56 2pym s LEU 24 Cb -0.13 -3.54 0.11 0.00 0.03 0.00 0.00 46.19 42.66 2pym s LEU 24 CO 0.03 -0.94 0.11 -0.62 0.23 0.00 0.00 176.35 175.16 2pym s ASP 25 N 2.36 4.17 0.27 2.29 -1.08 -0.02 -4.79 116.67 119.87 2pym s ASP 25 Ca 0.54 -1.96 0.25 0.00 -0.52 0.00 0.00 52.55 50.86 2pym s ASP 25 Cb -0.18 -1.11 0.95 0.00 -1.46 0.00 0.00 42.92 41.12 2pym s ASP 25 CO 0.19 -0.38 1.75 0.71 0.52 0.00 0.00 175.17 177.95 2pym h THR 26 N 6.31 0.00 -0.01 1.71 1.35 -1.93 -2.53 112.91 117.81 2pym h THR 26 Ca -0.09 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.44 2pym h THR 26 Cb 1.00 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 68.58 2pym h THR 26 CO 0.49 0.00 -0.09 0.61 -0.25 0.00 0.00 175.52 176.28 2pym n GLY 27 N 0.38 -0.77 3.62 5.82 0.00 -1.26 -4.81 105.19 108.17 2pym n GLY 27 Ca 0.03 -0.30 -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 -2.33 3.34 0.16 4.61 0.00 -0.95 -4.98 121.76 121.60 2pym s ALA 28 Ca 0.33 -0.75 -0.03 0.00 0.00 0.00 0.00 51.96 51.51 2pym s ALA 28 Cb 0.20 -1.85 -0.00 0.00 0.00 0.00 0.00 23.12 21.47 2pym s ALA 28 CO 0.44 0.20 1.38 -0.44 0.00 0.00 0.00 175.76 177.35 2pym h ASP 29 N 6.63 0.50 -2.62 0.00 3.32 -1.88 0.81 116.42 123.18 2pym h ASP 29 Ca -0.36 -0.36 -0.58 0.00 0.02 0.00 0.00 57.03 55.74 2pym h ASP 29 Cb 1.17 -0.15 -0.15 0.00 0.22 0.00 0.00 39.33 40.42 2pym h ASP 29 CO 0.69 1.12 -0.77 0.20 -1.72 0.00 0.00 179.24 178.76 2pym s ASN 30 N -7.01 3.33 -0.18 6.45 -0.87 -1.26 -2.85 114.94 112.55 2pym s ASN 30 Ca -0.06 -0.99 -0.15 0.00 -1.57 0.00 0.00 52.86 50.09 2pym s ASN 30 Cb 0.10 -0.26 -0.04 0.00 -0.02 0.00 0.00 41.25 41.03 2pym s ASN 30 CO 0.85 0.01 0.36 -0.89 -2.57 0.00 0.00 177.10 174.87 2pym s THR 31 N -2.42 5.24 -0.09 1.60 2.01 -1.26 -3.46 115.64 117.26 2pym s THR 31 Ca 0.26 0.67 0.00 0.00 0.31 0.00 0.00 61.69 62.93 2pym s THR 31 Cb -0.05 -3.70 0.02 0.00 0.01 0.00 0.00 72.50 68.78 2pym s THR 31 CO 0.12 0.31 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.60 2pym s VAL 32 N 0.93 0.89 0.06 3.82 1.01 0.01 -0.92 120.40 126.21 2pym s VAL 32 Ca 0.19 -0.25 0.07 0.00 0.00 0.00 0.00 61.98 61.98 2pym s VAL 32 Cb -0.14 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.30 2pym s VAL 32 CO 0.07 0.33 -0.14 -0.76 0.00 0.00 0.00 175.10 174.60 2pym s LEU 33 N 1.39 2.83 1.02 3.92 1.02 0.48 0.15 118.68 129.50 2pym s LEU 33 Ca -0.02 -0.39 -0.12 0.00 0.02 0.00 0.00 54.13 53.63 2pym s LEU 33 Cb -0.13 -1.65 0.18 0.00 0.02 0.00 0.00 46.19 44.61 2pym s LEU 33 CO -0.04 0.23 0.96 -0.62 0.02 0.00 0.00 176.35 176.90 2pym n GLU 34 N 1.23 -1.21 -1.62 1.70 1.02 -1.26 -1.31 120.64 119.19 2pym n GLU 34 Ca -0.15 -0.30 -0.47 0.00 -0.02 0.00 0.00 57.16 56.21 2pym n GLU 34 Cb 0.52 -2.21 -0.04 0.00 -0.02 0.00 0.00 31.44 29.69 2pym n GLU 34 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2pym n GLU 35 N -4.12 1.59 -3.58 3.49 0.00 -1.25 -4.55 120.64 112.23 2pym n GLU 35 Ca 0.08 0.57 -0.07 0.00 0.00 0.00 0.00 57.16 57.74 2pym n GLU 35 Cb 0.53 -2.17 -0.02 0.00 0.00 0.00 0.00 31.44 29.79 2pym n GLU 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2pym s MET 36 N -0.15 0.94 -0.04 5.31 0.23 -1.26 -5.04 119.30 119.29 2pym s MET 36 Ca 0.73 -0.41 -0.04 0.00 -1.03 0.00 0.00 55.69 54.94 2pym s MET 36 Cb -0.77 0.39 -0.04 0.00 -1.53 0.00 0.00 34.83 32.88 2pym s MET 36 CO 0.49 -0.42 0.16 -1.54 -2.03 0.00 0.00 175.02 171.68 2pym s SER 37 N -2.64 6.32 0.15 -1.18 1.04 -1.26 -5.03 113.70 111.10 2pym s SER 37 Ca 0.07 0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.87 2pym s SER 37 Cb -0.01 -1.99 -0.04 0.00 0.10 0.00 0.00 66.02 64.08 2pym s SER 37 CO -0.05 0.31 0.04 -0.76 0.98 0.00 0.00 173.24 173.75 2pym s LEU 38 N -1.65 1.90 0.55 2.42 1.43 -1.26 -4.92 118.68 117.15 2pym s LEU 38 Ca 0.23 -1.20 -0.06 0.00 -1.03 0.00 0.00 54.13 52.07 2pym s LEU 38 Cb -0.12 0.16 -0.02 0.00 0.03 0.00 0.00 46.19 46.24 2pym s LEU 38 CO 0.14 -0.67 0.87 -2.16 0.23 0.00 0.00 176.35 174.76 2pym s PRO 39 N -4.00 3.31 0.90 1.29 0.04 -1.26 -4.97 135.00 130.31 2pym s PRO 39 Ca 0.24 0.22 0.00 0.00 0.04 0.00 0.00 61.00 61.50 2pym s PRO 39 Cb 0.07 -2.28 0.00 0.00 0.04 0.00 0.00 34.50 32.33 2pym s PRO 39 CO 0.03 -0.46 0.00 0.41 0.04 0.00 0.00 177.00 177.02 2pym n GLY 40 N -2.47 -2.08 3.89 0.56 0.00 -1.26 -4.86 105.19 98.97 2pym n GLY 40 Ca 0.03 -1.49 -0.30 0.00 0.00 0.00 0.00 46.02 44.27 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 -1.08 2.94 0.10 4.61 0.00 -1.26 -5.11 121.76 121.96 2pym s ALA 41 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 51.96 51.55 2pym s ALA 41 Cb 0.00 -2.96 -0.04 0.00 0.00 0.00 0.00 23.12 20.12 2pym s ALA 41 CO 0.00 -1.12 -0.01 1.67 0.00 0.00 0.00 175.76 176.30 2pym s TRP 42 N -3.32 0.81 0.03 0.00 1.48 -1.26 -4.53 118.94 112.15 2pym s TRP 42 Ca 0.58 -1.08 0.08 0.00 -1.06 0.00 0.00 56.10 54.62 2pym s TRP 42 Cb -0.11 -0.49 -0.02 0.00 -1.16 0.00 0.00 33.47 31.68 2pym s TRP 42 CO 0.51 -0.34 -0.22 0.15 -4.06 0.00 0.00 176.95 172.98 2pym s LYS 43 N -3.94 1.56 0.35 3.25 1.02 -0.79 -4.90 119.74 116.30 2pym s LYS 43 Ca 0.16 -0.96 -0.27 0.00 0.02 0.00 0.00 55.97 54.91 2pym s LYS 43 Cb 0.07 -1.66 -0.09 0.00 -0.52 0.00 0.00 37.83 35.62 2pym s LYS 43 CO -0.03 0.43 1.23 -1.25 -0.92 0.00 0.00 175.35 174.81 2pym s PRO 44 N -1.08 4.25 0.11 -1.68 0.04 -1.26 -0.85 135.00 134.53 2pym s PRO 44 Ca 0.09 2.02 -0.13 0.00 0.04 0.00 0.00 61.00 63.02 2pym s PRO 44 Cb -0.09 -2.92 0.02 0.00 0.04 0.00 0.00 34.50 31.54 2pym s PRO 44 CO 0.01 -0.20 0.30 0.21 0.04 0.00 0.00 177.00 177.36 2pym s LYS 45 N -1.95 0.97 -0.05 4.56 2.20 -0.02 -4.88 119.74 120.57 2pym s LYS 45 Ca 0.52 -0.83 0.06 0.00 -0.36 0.00 0.00 55.97 55.35 2pym s LYS 45 Cb -0.35 0.41 -0.01 0.00 -1.51 0.00 0.00 37.83 36.37 2pym s LYS 45 CO 0.46 -0.35 -0.22 -1.64 -0.36 0.00 0.00 175.35 173.24 2pym s MET 46 N -3.83 2.20 -0.03 4.03 -1.94 -1.26 -0.22 119.30 118.25 2pym s MET 46 Ca 0.04 -0.80 0.03 0.00 -1.71 0.00 0.00 55.69 53.26 2pym s MET 46 Cb 0.03 -1.91 -0.00 0.00 2.01 0.00 0.00 34.83 34.96 2pym s MET 46 CO -0.11 0.35 -0.12 0.96 -0.01 0.00 0.00 175.02 176.09 2pym s ILE 47 N -0.15 1.03 0.03 2.53 -4.36 -0.78 -4.99 121.20 114.52 2pym s ILE 47 Ca -0.02 -0.51 0.00 0.00 -0.26 0.00 0.00 60.65 59.87 2pym s ILE 47 Cb -0.12 -0.90 -0.04 0.00 1.25 0.00 0.00 42.46 42.65 2pym s ILE 47 CO 0.03 0.31 0.10 -0.83 0.24 0.00 0.00 174.94 174.78 2pym s GLY 48 N 0.06 2.05 0.00 6.27 0.00 -1.26 -1.53 107.32 112.90 2pym s GLY 48 Ca -0.02 -0.90 0.00 0.00 0.00 0.00 0.00 44.72 43.80 2pym s GLY 48 CO 0.01 -0.82 0.00 0.61 0.00 0.00 0.00 173.10 172.90 2pym n GLY 49 N 0.88 5.37 3.76 0.20 0.00 -0.40 -5.00 105.19 110.00 2pym n GLY 49 Ca -0.11 -1.40 -0.41 0.00 0.00 0.00 0.00 46.02 44.11 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 1.22 3.20 0.00 -0.61 1.01 -1.26 -3.92 121.20 120.84 2pym s ILE 50 Ca 0.00 1.17 0.00 0.00 0.00 0.00 0.00 60.65 61.82 2pym s ILE 50 Cb 0.00 -3.74 0.00 0.00 0.01 0.00 0.00 42.46 38.73 2pym s ILE 50 CO 0.00 0.26 0.00 0.61 0.00 0.00 0.00 174.94 175.81 2pym n GLY 51 N 1.25 2.57 0.00 6.18 0.00 -1.26 -4.90 105.19 109.03 2pym n GLY 51 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.54 3.40 -0.02 0.00 -1.25 -5.16 105.19 101.61 2pym n GLY 52 Ca 0.00 -0.83 -0.25 0.00 0.00 0.00 0.00 46.02 44.94 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 -3.30 2.17 0.11 1.61 0.08 -1.26 -1.27 117.98 116.12 2pym s PHE 53 Ca 0.00 -0.38 0.07 0.00 0.12 0.00 0.00 56.93 56.73 2pym s PHE 53 Cb 0.00 -1.06 -0.04 0.00 -0.57 0.00 0.00 43.02 41.35 2pym s PHE 53 CO 0.00 0.48 -0.16 0.96 -0.10 0.00 0.00 175.22 176.39 2pym s ILE 54 N -1.85 1.42 -0.04 0.64 -4.36 -0.58 -4.99 121.20 111.45 2pym s ILE 54 Ca 0.20 -1.60 -0.21 0.00 -0.26 0.00 0.00 60.65 58.78 2pym s ILE 54 Cb -0.07 -1.46 -0.05 0.00 1.25 0.00 0.00 42.46 42.13 2pym s ILE 54 CO 0.09 -0.28 0.62 -0.54 0.24 0.00 0.00 174.94 175.08 2pym s LYS 55 N -2.28 4.37 0.11 0.37 1.02 -1.26 -1.86 119.74 120.20 2pym s LYS 55 Ca 0.06 0.76 0.03 0.00 0.02 0.00 0.00 55.97 56.84 2pym s LYS 55 Cb -0.07 -3.39 -0.04 0.00 -0.52 0.00 0.00 37.83 33.81 2pym s LYS 55 CO 0.04 0.24 -0.08 0.14 -0.92 0.00 0.00 175.35 174.76 2pym s VAL 56 N 0.24 0.85 -0.22 3.17 -7.23 0.70 -4.35 120.40 113.55 2pym s VAL 56 Ca 0.33 -1.88 -0.09 0.00 -1.81 0.00 0.00 61.98 58.53 2pym s VAL 56 Cb -0.18 -1.62 -0.04 0.00 0.56 0.00 0.00 36.38 35.10 2pym s VAL 56 CO 0.17 -0.77 0.11 -0.13 -0.31 0.00 0.00 175.10 174.17 2pym s ARG 57 N -3.53 3.94 -0.26 4.82 0.52 0.62 -0.84 118.95 124.23 2pym s ARG 57 Ca 0.11 -0.34 -0.15 0.00 -0.52 0.00 0.00 55.73 54.83 2pym s ARG 57 Cb 0.02 -3.38 -0.04 0.00 0.52 0.00 0.00 34.95 32.08 2pym s ARG 57 CO -0.02 0.08 0.36 -1.14 0.02 0.00 0.00 175.30 174.60 2pym s GLN 58 N 0.95 4.05 -0.09 3.54 0.74 -0.03 0.14 119.66 128.96 2pym s GLN 58 Ca 0.05 0.05 0.01 0.00 0.05 0.00 0.00 55.36 55.52 2pym s GLN 58 Cb -0.14 -3.63 -0.02 0.00 1.10 0.00 0.00 33.01 30.32 2pym s GLN 58 CO 0.03 -0.21 -0.10 0.71 -0.55 0.00 0.00 175.29 175.17 2pym s TYR 59 N 1.87 2.85 0.22 1.67 2.02 0.19 -1.89 117.35 124.28 2pym s TYR 59 Ca 0.15 -0.26 0.05 0.00 -0.37 0.00 0.00 57.07 56.64 2pym s TYR 59 Cb -0.15 -1.76 -0.03 0.00 -0.40 0.00 0.00 41.96 39.61 2pym s TYR 59 CO 0.09 0.08 0.24 -0.51 -1.57 0.00 0.00 175.55 173.89 2pym s ASP 60 N -0.28 5.85 -1.42 2.29 1.01 -1.26 -0.39 116.67 122.46 2pym s ASP 60 Ca 0.03 -0.08 -0.01 0.00 0.71 0.00 0.00 52.55 53.20 2pym s ASP 60 Cb -0.13 -1.61 0.01 0.00 1.01 0.00 0.00 42.92 42.20 2pym s ASP 60 CO 0.03 -0.01 0.41 0.00 0.21 0.00 0.00 175.17 175.80 2pym n GLN 61 N -0.99 -3.19 -3.52 8.23 6.02 -1.14 -4.91 117.38 117.88 2pym n GLN 61 Ca -0.08 0.39 -0.37 0.00 -0.01 0.00 0.00 57.00 56.93 2pym n GLN 61 Cb 0.56 -4.51 -0.07 0.00 1.02 0.00 0.00 30.24 27.25 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 -3.96 5.26 -0.03 5.09 -1.09 0.25 -4.81 121.20 121.92 2pym s ILE 62 Ca 0.03 0.63 -0.30 0.00 -2.23 0.00 0.00 60.65 58.78 2pym s ILE 62 Cb -0.02 -3.66 -0.03 0.00 -1.58 0.00 0.00 42.46 37.18 2pym s ILE 62 CO 0.89 0.42 1.03 -0.22 -1.23 0.00 0.00 174.94 175.84 2pym s LEU 63 N 0.16 4.33 -0.01 2.97 2.96 -1.26 -1.65 118.68 126.18 2pym s LEU 63 Ca 0.19 1.67 0.02 0.00 -0.22 0.00 0.00 54.13 55.79 2pym s LEU 63 Cb -0.14 -3.57 -0.00 0.00 0.50 0.00 0.00 46.19 42.99 2pym s LEU 63 CO 0.06 -0.36 -0.06 -0.51 -1.32 0.00 0.00 176.35 174.16 2pym s ILE 64 N 1.40 0.53 -0.32 6.68 2.07 0.88 -4.41 121.20 128.03 2pym s ILE 64 Ca 0.52 -0.27 -0.11 0.00 -1.41 0.00 0.00 60.65 59.38 2pym s ILE 64 Cb -0.21 -0.46 -0.02 0.00 0.13 0.00 0.00 42.46 41.89 2pym s ILE 64 CO 0.25 0.16 0.19 -0.70 -1.91 0.00 0.00 174.94 172.93 2pym s GLU 65 N -0.02 3.48 -0.19 3.50 2.12 -0.26 -0.39 118.70 126.94 2pym s GLU 65 Ca 0.01 -0.64 -0.00 0.00 0.36 0.00 0.00 54.97 54.70 2pym s GLU 65 Cb -0.04 -3.66 0.01 0.00 0.26 0.00 0.00 34.13 30.70 2pym s GLU 65 CO -0.00 -0.39 -0.16 0.42 -0.54 0.00 0.00 175.26 174.58 2pym s ILE 66 N 1.67 2.37 -1.76 -3.70 1.01 0.24 -0.92 121.20 120.11 2pym s ILE 66 Ca 0.06 -0.85 -0.21 0.00 0.00 0.00 0.00 60.65 59.64 2pym s ILE 66 Cb -0.17 -2.03 0.20 0.00 0.01 0.00 0.00 42.46 40.47 2pym s ILE 66 CO 0.08 0.50 0.67 0.00 0.00 0.00 0.00 174.94 176.19 2pym n GLY 68 N -1.18 0.78 3.38 0.00 0.00 -1.26 -5.04 105.19 101.87 2pym n GLY 68 Ca 0.10 -0.82 -0.33 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.20 2.72 0.04 1.61 4.02 0.76 -5.11 115.29 117.13 2pym s HIS 69 Ca 0.00 -0.53 -0.20 0.00 1.02 0.00 0.00 55.06 55.35 2pym s HIS 69 Cb 0.00 -1.74 -0.06 0.00 -1.02 0.00 0.00 32.58 29.76 2pym s HIS 69 CO 0.00 -0.10 0.57 0.15 1.02 0.00 0.00 174.74 176.38 2pym s LYS 70 N -0.05 4.24 0.00 1.40 1.02 -1.26 0.80 119.74 125.89 2pym s LYS 70 Ca -0.04 0.73 -0.12 0.00 0.02 0.00 0.00 55.97 56.56 2pym s LYS 70 Cb -0.14 -3.28 0.01 0.00 -0.52 0.00 0.00 37.83 33.90 2pym s LYS 70 CO 0.04 0.53 0.24 0.00 -0.92 0.00 0.00 175.35 175.24 2pym s ALA 71 N -0.75 -0.57 -0.13 5.17 0.00 0.48 -4.89 121.76 121.06 2pym s ALA 71 Ca 0.30 0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.33 2pym s ALA 71 Cb -0.19 0.13 0.02 0.00 0.00 0.00 0.00 23.12 23.09 2pym s ALA 71 CO 0.18 -0.27 -0.12 0.42 0.00 0.00 0.00 175.76 175.97 2pym s ILE 72 N -1.61 1.40 0.09 0.00 1.01 -1.26 -0.08 121.20 120.75 2pym s ILE 72 Ca -0.12 -0.53 -0.02 0.00 0.00 0.00 0.00 60.65 59.97 2pym s ILE 72 Cb -0.05 -1.33 0.01 0.00 0.01 0.00 0.00 42.46 41.10 2pym s ILE 72 CO 0.02 0.43 0.15 0.61 0.00 0.00 0.00 174.94 176.15 2pym n GLY 73 N 4.72 2.23 3.72 6.18 0.00 -0.66 -4.85 105.19 116.53 2pym n GLY 73 Ca -0.16 -1.22 -0.40 0.00 0.00 0.00 0.00 46.02 44.24 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 -2.68 4.98 -0.07 2.61 2.01 -1.26 -0.58 115.64 120.64 2pym s THR 74 Ca 0.05 1.55 0.05 0.00 0.31 0.00 0.00 61.69 63.65 2pym s THR 74 Cb -0.01 -4.09 -0.01 0.00 0.01 0.00 0.00 72.50 68.41 2pym s THR 74 CO 0.04 0.26 -0.24 0.68 -0.69 0.00 0.00 174.62 174.66 2pym s VAL 75 N 0.68 2.00 -0.05 3.82 -7.23 0.47 -4.51 120.40 115.58 2pym s VAL 75 Ca 0.39 -1.02 -0.12 0.00 -1.81 0.00 0.00 61.98 59.42 2pym s VAL 75 Cb -0.19 -1.70 -0.05 0.00 0.56 0.00 0.00 36.38 35.00 2pym s VAL 75 CO 0.20 0.55 0.31 -0.76 -0.31 0.00 0.00 175.10 175.10 2pym s LEU 76 N -0.00 4.43 -0.09 1.32 1.02 -0.09 -0.63 118.68 124.64 2pym s LEU 76 Ca -0.08 0.77 0.03 0.00 0.02 0.00 0.00 54.13 54.87 2pym s LEU 76 Cb -0.15 -2.40 0.01 0.00 0.02 0.00 0.00 46.19 43.67 2pym s LEU 76 CO 0.05 0.34 -0.19 0.68 0.02 0.00 0.00 176.35 177.25 2pym s VAL 77 N -0.95 1.67 -0.17 -1.59 -7.23 0.12 -0.38 120.40 111.86 2pym s VAL 77 Ca 0.20 -0.79 0.00 0.00 -1.81 0.00 0.00 61.98 59.58 2pym s VAL 77 Cb -0.15 -1.47 0.00 0.00 0.56 0.00 0.00 36.38 35.32 2pym s VAL 77 CO 0.10 0.47 0.00 0.61 -0.31 0.00 0.00 175.10 175.97 2pym n GLY 78 N 3.66 -1.19 2.50 2.32 0.00 -0.42 -0.28 105.19 111.78 2pym n GLY 78 Ca -0.21 -0.94 -0.12 0.00 0.00 0.00 0.00 46.02 44.76 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 -0.02 1.30 -3.28 1.61 -0.04 -1.26 -3.75 135.00 129.56 2pym n PRO 79 Ca 0.00 -0.88 -0.39 0.00 -0.04 0.00 0.00 63.50 62.19 2pym n PRO 79 Cb 0.00 -2.06 -0.06 0.00 -0.04 0.00 0.00 33.50 31.34 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 2.99 4.76 -0.89 0.52 -1.32 -1.26 -4.98 115.64 115.46 2pym s THR 80 Ca 0.31 1.20 0.27 0.00 -1.21 0.00 0.00 61.69 62.25 2pym s THR 80 Cb 0.11 -3.89 0.25 0.00 -1.51 0.00 0.00 72.50 67.45 2pym s THR 80 CO -0.01 0.55 1.84 -0.81 -2.21 0.00 0.00 174.62 173.97 2pym n PRO 81 N 1.78 0.09 -4.08 7.08 -0.04 -1.26 -4.51 135.00 134.05 2pym n PRO 81 Ca -0.10 0.11 -0.16 0.00 -0.04 0.00 0.00 63.50 63.31 2pym n PRO 81 Cb 0.51 -1.61 -0.15 0.00 -0.04 0.00 0.00 33.50 32.21 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 -3.05 0.32 0.06 0.52 1.01 -1.26 -5.07 120.40 112.94 2pym s VAL 82 Ca 0.12 -0.14 -0.31 0.00 0.00 0.00 0.00 61.98 61.66 2pym s VAL 82 Cb 0.16 -0.30 -0.07 0.00 0.00 0.00 0.00 36.38 36.16 2pym s VAL 82 CO 0.53 0.11 1.45 0.20 0.00 0.00 0.00 175.10 177.39 2pym s ASN 83 N 0.14 6.78 -0.18 3.32 0.01 -1.26 -4.68 114.94 119.07 2pym s ASN 83 Ca -0.01 2.29 -0.00 0.00 -0.71 0.00 0.00 52.86 54.42 2pym s ASN 83 Cb -0.04 -2.57 0.00 0.00 0.41 0.00 0.00 41.25 39.05 2pym s ASN 83 CO -0.00 -0.73 -0.14 -0.63 -1.51 0.00 0.00 177.10 174.08 2pym s ILE 84 N 1.90 2.64 -0.37 0.60 -1.09 0.12 -0.55 121.20 124.46 2pym s ILE 84 Ca 0.66 -0.76 -0.16 0.00 -2.23 0.00 0.00 60.65 58.17 2pym s ILE 84 Cb -0.36 -2.14 0.00 0.00 -1.58 0.00 0.00 42.46 38.39 2pym s ILE 84 CO 0.29 0.50 0.37 -0.63 -1.23 0.00 0.00 174.94 174.25 2pym s ILE 85 N 1.12 5.16 0.34 2.92 -1.09 -0.06 -0.81 121.20 128.77 2pym s ILE 85 Ca 0.01 -0.14 0.04 0.00 -2.23 0.00 0.00 60.65 58.33 2pym s ILE 85 Cb -0.14 -3.89 0.06 0.00 -1.58 0.00 0.00 42.46 36.91 2pym s ILE 85 CO -0.05 -0.21 0.47 0.61 -1.23 0.00 0.00 174.94 174.54 2pym n GLY 86 N 5.02 1.65 0.24 6.18 0.00 -1.22 -0.84 105.19 116.22 2pym n GLY 86 Ca -0.09 -2.14 0.07 0.00 0.00 0.00 0.00 46.02 43.86 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 -0.82 1.61 3.08 -0.86 -1.40 114.38 115.99 2pym h ARG 87 Ca -0.16 0.00 0.13 0.00 0.07 0.00 0.00 59.98 60.02 2pym h ARG 87 Cb 0.69 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.68 2pym h ARG 87 CO 0.21 0.12 0.53 0.38 -1.07 0.00 0.00 179.97 180.15 2pym h ASP 88 N 0.00 0.56 0.07 7.04 2.03 -1.79 -1.49 116.42 122.85 2pym h ASP 88 Ca -0.00 0.03 -0.36 0.00 -0.73 0.00 0.00 57.03 55.97 2pym h ASP 88 Cb 0.22 -0.09 -0.07 0.00 -0.83 0.00 0.00 39.33 38.57 2pym h ASP 88 CO 0.02 0.30 -2.30 0.18 -1.03 0.00 0.00 179.24 176.41 2pym n LEU 89 N -4.52 0.56 -0.26 0.15 4.32 -0.90 -4.19 117.00 112.16 2pym n LEU 89 Ca 0.15 0.05 -0.02 0.00 -0.02 0.00 0.00 56.01 56.16 2pym n LEU 89 Cb 0.45 0.24 0.09 0.00 -1.62 0.00 0.00 43.42 42.58 2pym n LEU 89 CO 0.31 0.55 1.15 -0.07 -1.22 0.00 0.00 177.39 178.11 2pym h LEU 90 N 0.00 0.72 -1.30 2.23 3.38 -0.92 -1.80 115.31 117.62 2pym h LEU 90 Ca -0.51 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.46 2pym h LEU 90 Cb 2.17 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 42.74 2pym h LEU 90 CO 0.02 0.49 0.36 0.71 0.09 0.00 0.00 178.44 180.11 2pym h THR 91 N 0.86 1.18 0.00 0.22 1.35 -1.49 -1.42 112.91 113.61 2pym h THR 91 Ca 0.30 -0.41 0.00 0.00 -0.55 0.00 0.00 66.41 65.76 2pym h THR 91 Cb 0.07 0.32 0.00 0.00 -1.73 0.00 0.00 68.15 66.81 2pym h THR 91 CO -0.13 0.19 0.00 1.56 -0.25 0.00 0.00 175.52 176.89 2pym h GLN 92 N 0.85 0.00 -0.43 4.72 4.20 -1.50 -2.18 115.11 120.78 2pym h GLN 92 Ca 0.22 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.93 2pym h GLN 92 Cb -0.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.76 2pym h GLN 92 CO -0.04 0.00 0.00 0.44 -0.67 0.00 0.00 178.83 178.56 2pym n ILE 93 N -2.58 0.83 -3.08 2.54 -5.35 -0.97 -4.90 119.36 105.86 2pym n ILE 93 Ca 0.02 -0.91 -0.13 0.00 -0.27 0.00 0.00 62.75 61.46 2pym n ILE 93 Cb 0.28 0.65 0.04 0.00 -1.74 0.00 0.00 39.64 38.87 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 1.00 0.12 3.72 3.28 0.00 -0.82 -5.00 105.19 107.49 2pym n GLY 94 Ca 0.16 -0.16 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 0.65 1.18 0.00 0.00 -4.23 -1.26 -4.66 115.64 107.32 2pym s THR 96 Ca 0.31 -1.62 -0.19 0.00 -1.18 0.00 0.00 61.69 59.01 2pym s THR 96 Cb -0.16 -1.40 -0.06 0.00 1.34 0.00 0.00 72.50 72.22 2pym s THR 96 CO 0.14 -0.42 0.53 -0.76 -0.54 0.00 0.00 174.62 173.57 2pym s LEU 97 N -2.32 4.44 -0.01 4.79 1.43 -1.26 -5.09 118.68 120.65 2pym s LEU 97 Ca 0.06 1.10 -0.01 0.00 -1.03 0.00 0.00 54.13 54.26 2pym s LEU 97 Cb -0.05 -2.82 0.01 0.00 0.03 0.00 0.00 46.19 43.36 2pym s LEU 97 CO 0.02 0.18 0.03 0.20 0.23 0.00 0.00 176.35 177.01 2pym s ASN 98 N -0.51 -0.00 0.00 2.29 0.01 -1.26 -5.30 114.94 110.17 2pym s ASN 98 Ca 0.28 0.05 0.00 0.00 -0.71 0.00 0.00 52.86 52.48 2pym s ASN 98 Cb -0.18 0.02 0.00 0.00 0.41 0.00 0.00 41.25 41.50 2pym s ASN 98 CO 0.16 -0.04 0.00 2.22 -1.51 0.00 0.00 177.10 177.93