#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pk5 s GLN 2 N 0.00 3.59 -0.27 0.54 0.74 -1.26 -5.10 119.66 117.91 2pk5 s GLN 2 Ca 0.00 -0.53 -0.06 0.00 0.05 0.00 0.00 55.36 54.82 2pk5 s GLN 2 Cb 0.00 -3.11 -0.00 0.00 1.10 0.00 0.00 33.01 30.99 2pk5 s GLN 2 CO 0.00 -0.05 0.05 0.42 -0.55 0.00 0.00 175.29 175.16 2pk5 s ILE 3 N 1.17 3.91 0.72 -2.34 1.01 -1.26 -5.10 121.20 119.30 2pk5 s ILE 3 Ca 0.03 -0.52 -0.11 0.00 0.00 0.00 0.00 60.65 60.04 2pk5 s ILE 3 Cb -0.14 -2.92 0.02 0.00 0.01 0.00 0.00 42.46 39.43 2pk5 s ILE 3 CO 0.01 0.22 1.10 0.42 0.00 0.00 0.00 174.94 176.70 2pk5 s THR 4 N 1.52 3.26 -0.18 2.92 -4.23 -1.26 -5.02 115.64 112.65 2pk5 s THR 4 Ca 0.04 0.39 0.17 0.00 -1.18 0.00 0.00 61.69 61.11 2pk5 s THR 4 Cb -0.16 -3.40 0.39 0.00 1.34 0.00 0.00 72.50 70.67 2pk5 s THR 4 CO 0.01 -0.53 1.27 0.18 -0.54 0.00 0.00 174.62 175.02 2pk5 n LEU 5 N -3.04 3.07 0.14 4.79 4.77 -1.26 -4.54 117.00 120.93 2pk5 n LEU 5 Ca 0.07 -2.96 0.09 0.00 -0.03 0.00 0.00 56.01 53.18 2pk5 n LEU 5 Cb 0.58 -0.45 0.58 0.00 -2.33 0.00 0.00 43.42 41.79 2pk5 n LEU 5 CO 0.57 0.68 1.11 -0.50 -1.33 0.00 0.00 177.39 177.93 2pk5 h TRP 6 N 0.93 0.16 -3.27 -1.77 -0.00 -2.06 -3.43 115.95 106.50 2pk5 h TRP 6 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 58.89 58.47 2pk5 h TRP 6 Cb 1.17 -0.05 -0.14 0.00 -0.00 0.00 0.00 29.16 30.14 2pk5 h TRP 6 CO 0.24 0.10 -0.60 -1.59 -0.00 0.00 0.00 178.44 176.58 2pk5 s LYS 7 N -5.20 1.56 0.13 0.49 -2.85 -1.26 -5.11 119.74 107.51 2pk5 s LYS 7 Ca -0.06 -1.87 -0.34 0.00 -1.00 0.00 0.00 55.97 52.71 2pk5 s LYS 7 Cb 0.18 -0.56 -0.13 0.00 -2.06 0.00 0.00 37.83 35.25 2pk5 s LYS 7 CO 0.70 -0.26 1.65 0.54 0.10 0.00 0.00 175.35 178.07 2pk5 n ARG 8 N -0.60 2.26 -2.19 1.78 1.74 -1.26 -4.85 116.66 113.54 2pk5 n ARG 8 Ca -0.01 0.82 -0.37 0.00 -0.77 0.00 0.00 57.85 57.51 2pk5 n ARG 8 Cb 0.66 -2.61 -0.03 0.00 -1.02 0.00 0.00 32.46 29.46 2pk5 n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2pk5 n PRO 9 N 4.01 2.43 -3.44 5.56 -0.04 -1.26 -4.95 135.00 137.31 2pk5 n PRO 9 Ca 0.18 -2.80 -0.38 0.00 -0.04 0.00 0.00 63.50 60.46 2pk5 n PRO 9 Cb 0.30 -3.52 -0.06 0.00 -0.04 0.00 0.00 33.50 30.18 2pk5 n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2pk5 s LEU 10 N 6.35 4.44 0.16 1.53 1.43 -1.26 -1.49 118.68 129.84 2pk5 s LEU 10 Ca 0.59 0.96 0.03 0.00 -1.03 0.00 0.00 54.13 54.67 2pk5 s LEU 10 Cb 0.04 -2.63 -0.05 0.00 0.03 0.00 0.00 46.19 43.58 2pk5 s LEU 10 CO 0.09 0.26 -0.03 0.68 0.23 0.00 0.00 176.35 177.57 2pk5 s VAL 11 N -0.73 0.82 0.05 -1.59 -7.23 -0.06 -4.96 120.40 106.70 2pk5 s VAL 11 Ca 0.24 -1.99 -0.22 0.00 -1.81 0.00 0.00 61.98 58.20 2pk5 s VAL 11 Cb -0.17 -2.00 -0.06 0.00 0.56 0.00 0.00 36.38 34.72 2pk5 s VAL 11 CO 0.13 -0.60 0.67 -0.89 -0.31 0.00 0.00 175.10 174.11 2pk5 s THR 12 N -3.56 4.75 0.15 5.32 2.01 -1.26 -1.03 115.64 122.02 2pk5 s THR 12 Ca 0.20 1.43 0.08 0.00 0.31 0.00 0.00 61.69 63.72 2pk5 s THR 12 Cb 0.05 -4.02 -0.04 0.00 0.01 0.00 0.00 72.50 68.51 2pk5 s THR 12 CO 0.02 0.44 -0.19 0.27 -0.69 0.00 0.00 174.62 174.47 2pk5 s ILE 13 N -0.41 1.77 -0.18 1.82 -4.36 0.52 -3.24 121.20 117.12 2pk5 s ILE 13 Ca 0.34 -1.82 -0.01 0.00 -0.26 0.00 0.00 60.65 58.89 2pk5 s ILE 13 Cb -0.20 -1.76 -0.00 0.00 1.25 0.00 0.00 42.46 41.75 2pk5 s ILE 13 CO 0.21 -0.26 -0.11 -0.75 0.24 0.00 0.00 174.94 174.27 2pk5 s LYS 14 N -2.58 3.28 -0.05 0.37 2.20 0.05 -1.49 119.74 121.52 2pk5 s LYS 14 Ca 0.13 -0.70 -0.03 0.00 -0.36 0.00 0.00 55.97 55.02 2pk5 s LYS 14 Cb -0.07 -2.78 0.03 0.00 -1.51 0.00 0.00 37.83 33.50 2pk5 s LYS 14 CO 0.06 -0.07 0.11 -1.50 -0.36 0.00 0.00 175.35 173.59 2pk5 s ILE 15 N 1.08 -0.04 -1.31 5.43 2.07 -0.37 -1.08 121.20 126.98 2pk5 s ILE 15 Ca 0.00 0.13 -0.06 0.00 -1.41 0.00 0.00 60.65 59.31 2pk5 s ILE 15 Cb -0.15 -0.19 0.04 0.00 0.13 0.00 0.00 42.46 42.30 2pk5 s ILE 15 CO -0.03 0.05 0.42 0.61 -1.91 0.00 0.00 174.94 174.08 2pk5 n GLY 16 N 3.84 -0.50 2.29 1.50 0.00 -1.26 -0.11 105.19 110.95 2pk5 n GLY 16 Ca -0.22 0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2pk5 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pk5 n GLY 17 N -1.18 0.44 3.41 -0.02 0.00 -1.26 -5.02 105.19 101.55 2pk5 n GLY 17 Ca -0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 2pk5 n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2pk5 s GLN 18 N -0.37 2.29 -0.01 1.61 -0.21 0.85 -5.12 119.66 118.70 2pk5 s GLN 18 Ca 0.00 -0.83 -0.22 0.00 0.02 0.00 0.00 55.36 54.33 2pk5 s GLN 18 Cb 0.00 -2.22 -0.05 0.00 1.00 0.00 0.00 33.01 31.75 2pk5 s GLN 18 CO 0.00 0.59 0.65 -0.51 -2.12 0.00 0.00 175.29 173.90 2pk5 s LEU 19 N -0.76 4.39 0.04 2.90 1.43 -1.26 -1.24 118.68 124.18 2pk5 s LEU 19 Ca 0.11 1.22 -0.02 0.00 -1.03 0.00 0.00 54.13 54.42 2pk5 s LEU 19 Cb -0.10 -3.02 -0.03 0.00 0.03 0.00 0.00 46.19 43.07 2pk5 s LEU 19 CO 0.00 0.03 -0.01 -0.54 0.23 0.00 0.00 176.35 176.06 2pk5 s LYS 20 N 0.11 0.51 -0.01 1.70 1.02 -0.55 -4.98 119.74 117.54 2pk5 s LYS 20 Ca 0.34 -0.94 -0.14 0.00 0.02 0.00 0.00 55.97 55.25 2pk5 s LYS 20 Cb -0.18 0.18 -0.06 0.00 -0.52 0.00 0.00 37.83 37.25 2pk5 s LYS 20 CO 0.18 -0.10 0.38 -2.00 -0.92 0.00 0.00 175.35 172.90 2pk5 s GLU 21 N -2.92 3.86 0.06 1.68 2.12 -1.26 -0.35 118.70 121.90 2pk5 s GLU 21 Ca -0.02 0.35 -0.09 0.00 0.36 0.00 0.00 54.97 55.56 2pk5 s GLU 21 Cb 0.01 -3.21 0.00 0.00 0.26 0.00 0.00 34.13 31.19 2pk5 s GLU 21 CO -0.06 0.70 0.20 0.00 -0.54 0.00 0.00 175.26 175.55 2pk5 s ALA 22 N -1.09 -0.32 -0.21 6.30 0.00 -0.20 -4.46 121.76 121.77 2pk5 s ALA 22 Ca 0.23 -0.41 -0.10 0.00 0.00 0.00 0.00 51.96 51.68 2pk5 s ALA 22 Cb -0.16 0.38 -0.05 0.00 0.00 0.00 0.00 23.12 23.29 2pk5 s ALA 22 CO 0.13 -0.43 0.15 -1.17 0.00 0.00 0.00 175.76 174.43 2pk5 s LEU 23 N -2.44 4.18 -0.55 0.00 2.96 0.63 -0.88 118.68 122.58 2pk5 s LEU 23 Ca -0.01 0.21 -0.28 0.00 -0.22 0.00 0.00 54.13 53.83 2pk5 s LEU 23 Cb 0.02 -2.11 0.03 0.00 0.50 0.00 0.00 46.19 44.62 2pk5 s LEU 23 CO -0.07 0.13 1.22 -0.76 -1.32 0.00 0.00 176.35 175.55 2pk5 s LEU 24 N 0.61 3.48 -0.41 -0.68 1.43 -0.55 -0.28 118.68 122.28 2pk5 s LEU 24 Ca 0.08 0.23 0.04 0.00 -1.03 0.00 0.00 54.13 53.45 2pk5 s LEU 24 Cb -0.12 -3.25 0.11 0.00 0.03 0.00 0.00 46.19 42.97 2pk5 s LEU 24 CO 0.01 -1.46 0.14 -0.62 0.23 0.00 0.00 176.35 174.64 2pk5 s ASP 25 N 3.07 4.57 0.32 2.29 3.68 -0.04 -4.80 116.67 125.76 2pk5 s ASP 25 Ca 0.46 -2.50 0.25 0.00 2.13 0.00 0.00 52.55 52.88 2pk5 s ASP 25 Cb -0.08 -1.62 1.13 0.00 -1.45 0.00 0.00 42.92 40.90 2pk5 s ASP 25 CO 0.27 -0.32 1.76 0.71 0.13 0.00 0.00 175.17 177.72 2pk5 h THR 26 N 6.14 0.00 -0.01 1.71 1.35 -1.94 -2.41 112.91 117.76 2pk5 h THR 26 Ca -0.06 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.60 2pk5 h THR 26 Cb 0.97 0.92 0.00 0.00 -1.73 0.00 0.00 68.15 68.30 2pk5 h THR 26 CO 0.59 0.00 -0.10 0.61 -0.25 0.00 0.00 175.52 176.37 2pk5 n GLY 27 N -0.34 -0.38 3.65 5.82 0.00 -1.26 -4.83 105.19 107.86 2pk5 n GLY 27 Ca 0.01 -0.40 -0.37 0.00 0.00 0.00 0.00 46.02 45.27 2pk5 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pk5 s ALA 28 N -2.23 3.59 0.29 4.61 0.00 -0.91 -4.97 121.76 122.14 2pk5 s ALA 28 Ca 0.33 -0.91 -0.01 0.00 0.00 0.00 0.00 51.96 51.37 2pk5 s ALA 28 Cb 0.20 -2.33 0.43 0.00 0.00 0.00 0.00 23.12 21.43 2pk5 s ALA 28 CO 0.42 -0.23 1.85 -0.44 0.00 0.00 0.00 175.76 177.35 2pk5 h ASP 29 N 7.61 0.75 -2.64 0.00 3.32 -1.88 0.48 116.42 124.06 2pk5 h ASP 29 Ca -0.38 -0.12 -0.54 0.00 0.02 0.00 0.00 57.03 56.01 2pk5 h ASP 29 Cb 1.17 -0.20 -0.13 0.00 0.22 0.00 0.00 39.33 40.39 2pk5 h ASP 29 CO 0.64 0.73 -0.58 -1.81 -1.72 0.00 0.00 179.24 176.50 2pk5 s ASP 30 N -6.58 2.90 -0.17 6.45 1.01 -1.26 -2.82 116.67 116.20 2pk5 s ASP 30 Ca -0.10 -1.47 -0.05 0.00 0.71 0.00 0.00 52.55 51.64 2pk5 s ASP 30 Cb 0.16 0.05 -0.03 0.00 1.01 0.00 0.00 42.92 44.11 2pk5 s ASP 30 CO 0.80 -0.68 0.01 -0.89 0.21 0.00 0.00 175.17 174.62 2pk5 s THR 31 N -3.14 4.27 -0.05 -1.27 2.01 -1.26 -3.12 115.64 113.09 2pk5 s THR 31 Ca 0.30 -0.22 0.01 0.00 0.31 0.00 0.00 61.69 62.10 2pk5 s THR 31 Cb 0.07 -2.90 0.02 0.00 0.01 0.00 0.00 72.50 69.70 2pk5 s THR 31 CO 0.14 0.47 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.81 2pk5 s VAL 32 N 0.45 0.56 0.05 3.82 1.01 -0.64 -0.61 120.40 125.04 2pk5 s VAL 32 Ca -0.01 -0.14 0.09 0.00 0.00 0.00 0.00 61.98 61.93 2pk5 s VAL 32 Cb -0.13 -0.58 -0.03 0.00 0.00 0.00 0.00 36.38 35.64 2pk5 s VAL 32 CO 0.02 0.23 -0.25 -0.63 0.00 0.00 0.00 175.10 174.47 2pk5 s ILE 33 N 0.91 1.99 0.97 2.22 -1.09 0.07 -0.60 121.20 125.68 2pk5 s ILE 33 Ca -0.11 -1.35 -0.13 0.00 -2.23 0.00 0.00 60.65 56.83 2pk5 s ILE 33 Cb -0.14 -1.72 0.08 0.00 -1.58 0.00 0.00 42.46 39.10 2pk5 s ILE 33 CO 0.00 0.30 0.54 -1.84 -1.23 0.00 0.00 174.94 172.71 2pk5 n GLU 34 N 1.75 -0.58 -1.64 2.79 0.28 -1.26 -1.79 120.64 120.20 2pk5 n GLU 34 Ca -0.17 -0.12 -0.52 0.00 -0.16 0.00 0.00 57.16 56.19 2pk5 n GLU 34 Cb 0.52 -1.96 -0.06 0.00 1.43 0.00 0.00 31.44 31.38 2pk5 n GLU 34 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2pk5 n GLU 35 N -2.42 1.41 -3.67 3.44 -0.58 -1.23 -4.57 120.64 113.02 2pk5 n GLU 35 Ca 0.07 0.51 -0.08 0.00 -0.42 0.00 0.00 57.16 57.24 2pk5 n GLU 35 Cb 0.54 -2.20 -0.02 0.00 -0.57 0.00 0.00 31.44 29.19 2pk5 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2pk5 s MET 36 N 1.48 1.47 0.09 3.49 0.23 -1.26 -5.04 119.30 119.75 2pk5 s MET 36 Ca 0.87 -0.72 -0.22 0.00 -1.03 0.00 0.00 55.69 54.59 2pk5 s MET 36 Cb -0.91 0.56 -0.07 0.00 -1.53 0.00 0.00 34.83 32.88 2pk5 s MET 36 CO 0.49 -0.66 0.65 -1.12 -2.03 0.00 0.00 175.02 172.35 2pk5 s SER 37 N -2.83 7.16 0.05 -1.18 0.01 -1.26 -5.03 113.70 110.62 2pk5 s SER 37 Ca 0.07 1.37 0.03 0.00 1.31 0.00 0.00 55.95 58.74 2pk5 s SER 37 Cb -0.03 -2.41 -0.02 0.00 0.21 0.00 0.00 66.02 63.76 2pk5 s SER 37 CO -0.01 0.22 -0.10 -0.76 0.41 0.00 0.00 173.24 172.99 2pk5 s LEU 38 N -0.92 2.25 0.57 2.44 1.43 -1.26 -4.91 118.68 118.28 2pk5 s LEU 38 Ca 0.32 -0.55 -0.14 0.00 -1.03 0.00 0.00 54.13 52.74 2pk5 s LEU 38 Cb -0.20 -0.32 -0.06 0.00 0.03 0.00 0.00 46.19 45.63 2pk5 s LEU 38 CO 0.21 -0.13 1.01 -2.16 0.23 0.00 0.00 176.35 175.51 2pk5 s PRO 39 N -1.54 3.75 0.06 1.29 0.04 -1.26 -4.96 135.00 132.38 2pk5 s PRO 39 Ca -0.06 0.85 0.00 0.00 0.04 0.00 0.00 61.00 61.83 2pk5 s PRO 39 Cb -0.09 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.34 2pk5 s PRO 39 CO 0.01 -0.44 0.00 0.41 0.04 0.00 0.00 177.00 177.02 2pk5 n GLY 40 N -2.21 -2.66 3.87 0.56 0.00 -1.26 -4.96 105.19 98.53 2pk5 n GLY 40 Ca 0.06 -2.02 -0.30 0.00 0.00 0.00 0.00 46.02 43.75 2pk5 n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pk5 s ARG 41 N -0.38 3.67 0.09 1.61 0.52 -1.26 -5.09 118.95 118.11 2pk5 s ARG 41 Ca 0.00 0.66 -0.06 0.00 -0.52 0.00 0.00 55.73 55.81 2pk5 s ARG 41 Cb 0.00 -2.18 -0.02 0.00 0.52 0.00 0.00 34.95 33.27 2pk5 s ARG 41 CO 0.00 -0.39 0.12 1.67 0.02 0.00 0.00 175.30 176.72 2pk5 s TRP 42 N -2.91 0.37 0.04 -0.53 1.48 -1.26 -4.44 118.94 111.70 2pk5 s TRP 42 Ca 0.54 -0.82 0.02 0.00 -1.06 0.00 0.00 56.10 54.77 2pk5 s TRP 42 Cb -0.11 -0.20 -0.02 0.00 -1.16 0.00 0.00 33.47 31.98 2pk5 s TRP 42 CO 0.46 -0.51 -0.07 -1.59 -4.06 0.00 0.00 176.95 171.17 2pk5 s LYS 43 N -3.91 0.49 0.57 3.25 -2.85 -0.92 -4.92 119.74 111.44 2pk5 s LYS 43 Ca 0.09 -0.75 -0.18 0.00 -1.00 0.00 0.00 55.97 54.13 2pk5 s LYS 43 Cb 0.06 -0.20 -0.05 0.00 -2.06 0.00 0.00 37.83 35.58 2pk5 s LYS 43 CO -0.08 0.03 1.10 -1.25 0.10 0.00 0.00 175.35 175.24 2pk5 s PRO 44 N -1.64 3.29 -0.08 1.78 0.04 -1.26 -0.42 135.00 136.70 2pk5 s PRO 44 Ca -0.10 1.45 -0.17 0.00 0.04 0.00 0.00 61.00 62.22 2pk5 s PRO 44 Cb -0.09 -2.01 0.04 0.00 0.04 0.00 0.00 34.50 32.47 2pk5 s PRO 44 CO -0.00 -0.87 0.40 0.21 0.04 0.00 0.00 177.00 176.78 2pk5 s LYS 45 N -3.60 0.64 -0.16 4.56 2.20 -0.70 -4.84 119.74 117.84 2pk5 s LYS 45 Ca 0.69 0.21 -0.06 0.00 -0.36 0.00 0.00 55.97 56.44 2pk5 s LYS 45 Cb -0.21 0.30 -0.04 0.00 -1.51 0.00 0.00 37.83 36.37 2pk5 s LYS 45 CO 0.31 -0.15 0.05 -1.64 -0.36 0.00 0.00 175.35 173.57 2pk5 s MET 46 N -0.63 3.77 0.00 4.03 -1.94 -1.26 -0.69 119.30 122.58 2pk5 s MET 46 Ca -0.07 -0.34 0.06 0.00 -1.71 0.00 0.00 55.69 53.62 2pk5 s MET 46 Cb -0.04 -3.13 -0.02 0.00 2.01 0.00 0.00 34.83 33.66 2pk5 s MET 46 CO 0.03 0.38 -0.18 0.96 -0.01 0.00 0.00 175.02 176.20 2pk5 s ILE 47 N 0.05 1.46 -0.07 2.53 -4.36 -0.39 -4.97 121.20 115.45 2pk5 s ILE 47 Ca 0.05 -0.88 0.03 0.00 -0.26 0.00 0.00 60.65 59.59 2pk5 s ILE 47 Cb -0.12 -1.24 0.00 0.00 1.25 0.00 0.00 42.46 42.36 2pk5 s ILE 47 CO 0.01 0.33 -0.18 -0.83 0.24 0.00 0.00 174.94 174.52 2pk5 s GLY 48 N -0.64 1.03 0.00 6.27 0.00 -1.26 -1.09 107.32 111.63 2pk5 s GLY 48 Ca 0.07 -0.68 0.00 0.00 0.00 0.00 0.00 44.72 44.10 2pk5 s GLY 48 CO -0.00 -0.15 0.00 0.61 0.00 0.00 0.00 173.10 173.56 2pk5 n GLY 49 N 3.57 5.79 0.28 0.20 0.00 0.10 -4.98 105.19 110.15 2pk5 n GLY 49 Ca -0.21 -1.55 0.15 0.00 0.00 0.00 0.00 46.02 44.42 2pk5 n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2pk5 h ILE 50 N 0.00 0.33 -0.01 -0.61 6.09 -2.02 -3.03 117.51 118.25 2pk5 h ILE 50 Ca 0.00 -0.47 0.00 0.00 -1.37 0.00 0.00 64.86 63.02 2pk5 h ILE 50 Cb 0.00 1.35 0.00 0.00 0.47 0.00 0.00 36.82 38.64 2pk5 h ILE 50 CO 0.00 0.08 -0.32 0.61 -3.07 0.00 0.00 178.15 175.45 2pk5 n GLY 51 N -0.53 0.03 0.00 8.18 0.00 -1.26 -5.09 105.19 106.51 2pk5 n GLY 51 Ca -0.01 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.50 2pk5 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pk5 n GLY 52 N 1.18 0.34 3.65 -0.02 0.00 -1.15 -5.11 105.19 104.08 2pk5 n GLY 52 Ca 0.08 -2.10 -0.29 0.00 0.00 0.00 0.00 46.02 43.71 2pk5 n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2pk5 s PHE 53 N -0.12 2.86 0.11 1.61 0.40 -1.26 -0.72 117.98 120.86 2pk5 s PHE 53 Ca 0.00 -0.11 0.07 0.00 -0.60 0.00 0.00 56.93 56.29 2pk5 s PHE 53 Cb 0.00 -1.44 -0.04 0.00 0.51 0.00 0.00 43.02 42.05 2pk5 s PHE 53 CO 0.00 0.48 -0.17 0.96 0.70 0.00 0.00 175.22 177.19 2pk5 s ILE 54 N -1.45 1.50 0.02 0.64 -4.36 -0.25 -4.96 121.20 112.34 2pk5 s ILE 54 Ca 0.25 -1.61 -0.21 0.00 -0.26 0.00 0.00 60.65 58.82 2pk5 s ILE 54 Cb -0.11 -1.50 -0.06 0.00 1.25 0.00 0.00 42.46 42.05 2pk5 s ILE 54 CO 0.17 -0.24 0.61 -0.75 0.24 0.00 0.00 174.94 174.97 2pk5 s LYS 55 N -2.25 4.32 0.20 0.37 2.20 -1.26 -1.26 119.74 122.05 2pk5 s LYS 55 Ca 0.07 0.77 0.01 0.00 -0.36 0.00 0.00 55.97 56.47 2pk5 s LYS 55 Cb -0.08 -3.32 -0.05 0.00 -1.51 0.00 0.00 37.83 32.87 2pk5 s LYS 55 CO 0.04 0.42 0.04 0.14 -0.36 0.00 0.00 175.35 175.63 2pk5 s VAL 56 N -0.37 0.58 -0.20 4.02 -7.23 0.13 -4.52 120.40 112.81 2pk5 s VAL 56 Ca 0.31 -1.99 -0.09 0.00 -1.81 0.00 0.00 61.98 58.41 2pk5 s VAL 56 Cb -0.19 -2.32 -0.05 0.00 0.56 0.00 0.00 36.38 34.38 2pk5 s VAL 56 CO 0.18 -0.28 0.11 -0.13 -0.31 0.00 0.00 175.10 174.67 2pk5 s ARG 57 N -3.98 4.10 -0.32 4.82 0.52 0.36 -1.72 118.95 122.73 2pk5 s ARG 57 Ca 0.30 -0.27 -0.15 0.00 -0.52 0.00 0.00 55.73 55.08 2pk5 s ARG 57 Cb 0.07 -3.36 -0.02 0.00 0.52 0.00 0.00 34.95 32.16 2pk5 s ARG 57 CO 0.08 0.26 0.37 -1.14 0.02 0.00 0.00 175.30 174.89 2pk5 s GLN 58 N 0.44 3.71 -0.15 3.54 0.74 0.44 -0.76 119.66 127.61 2pk5 s GLN 58 Ca 0.06 -0.27 -0.04 0.00 0.05 0.00 0.00 55.36 55.16 2pk5 s GLN 58 Cb -0.12 -3.76 -0.03 0.00 1.10 0.00 0.00 33.01 30.20 2pk5 s GLN 58 CO -0.01 -0.45 -0.01 0.71 -0.55 0.00 0.00 175.29 174.98 2pk5 s TYR 59 N 2.05 3.09 0.24 1.67 1.51 -0.28 -2.17 117.35 123.45 2pk5 s TYR 59 Ca 0.13 -0.17 0.05 0.00 -1.01 0.00 0.00 57.07 56.07 2pk5 s TYR 59 Cb -0.16 -1.97 -0.03 0.00 -0.11 0.00 0.00 41.96 39.69 2pk5 s TYR 59 CO 0.11 0.05 0.35 -0.51 -1.11 0.00 0.00 175.55 174.44 2pk5 s ASP 60 N 0.25 6.27 -1.25 2.29 1.01 -1.26 -0.47 116.67 123.51 2pk5 s ASP 60 Ca -0.01 0.05 -0.03 0.00 0.71 0.00 0.00 52.55 53.27 2pk5 s ASP 60 Cb -0.13 -1.83 -0.01 0.00 1.01 0.00 0.00 42.92 41.95 2pk5 s ASP 60 CO 0.02 -0.06 0.76 0.00 0.21 0.00 0.00 175.17 176.10 2pk5 n GLN 61 N -1.35 -4.35 -4.05 8.23 6.02 -1.18 -4.91 117.38 115.80 2pk5 n GLN 61 Ca -0.09 0.65 -0.35 0.00 -0.01 0.00 0.00 57.00 57.20 2pk5 n GLN 61 Cb 0.57 -5.19 -0.09 0.00 1.02 0.00 0.00 30.24 26.55 2pk5 n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2pk5 s ILE 62 N -3.59 4.76 0.00 5.09 -1.09 -0.01 -4.83 121.20 121.53 2pk5 s ILE 62 Ca 0.11 -0.05 -0.21 0.00 -2.23 0.00 0.00 60.65 58.27 2pk5 s ILE 62 Cb -0.03 -3.12 -0.05 0.00 -1.58 0.00 0.00 42.46 37.68 2pk5 s ILE 62 CO 0.80 0.49 0.60 -0.63 -1.23 0.00 0.00 174.94 174.97 2pk5 s ILE 63 N 0.12 4.89 0.09 2.92 1.01 -1.26 -1.60 121.20 127.37 2pk5 s ILE 63 Ca 0.05 1.26 0.05 0.00 0.00 0.00 0.00 60.65 62.01 2pk5 s ILE 63 Cb -0.12 -3.94 -0.03 0.00 0.01 0.00 0.00 42.46 38.38 2pk5 s ILE 63 CO 0.01 0.43 -0.14 -0.63 0.00 0.00 0.00 174.94 174.60 2pk5 s ILE 64 N -0.25 1.20 -0.16 2.92 1.01 -0.24 -4.53 121.20 121.16 2pk5 s ILE 64 Ca 0.31 -1.50 -0.02 0.00 0.00 0.00 0.00 60.65 59.43 2pk5 s ILE 64 Cb -0.18 -1.29 -0.02 0.00 0.01 0.00 0.00 42.46 40.97 2pk5 s ILE 64 CO 0.18 -0.32 -0.07 -0.70 0.00 0.00 0.00 174.94 174.02 2pk5 s GLU 65 N -2.21 3.52 -0.22 2.79 2.12 -0.24 -1.20 118.70 123.26 2pk5 s GLU 65 Ca 0.03 -0.60 -0.01 0.00 0.36 0.00 0.00 54.97 54.75 2pk5 s GLU 65 Cb -0.07 -2.82 0.06 0.00 0.26 0.00 0.00 34.13 31.55 2pk5 s GLU 65 CO 0.02 0.16 -0.01 0.42 -0.54 0.00 0.00 175.26 175.31 2pk5 s ILE 66 N 0.54 1.08 -1.52 -3.70 1.01 -0.08 -0.77 121.20 117.76 2pk5 s ILE 66 Ca -0.05 -0.93 -0.13 0.00 0.00 0.00 0.00 60.65 59.54 2pk5 s ILE 66 Cb -0.15 -1.46 0.08 0.00 0.01 0.00 0.00 42.46 40.94 2pk5 s ILE 66 CO 0.03 -0.15 0.95 0.00 0.00 0.00 0.00 174.94 175.77 2pk5 n GLY 68 N -1.68 2.16 3.62 0.00 0.00 -1.26 -5.02 105.19 103.02 2pk5 n GLY 68 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 2pk5 n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2pk5 s HIS 69 N -2.63 3.27 0.28 1.61 4.02 -0.43 -5.08 115.29 116.34 2pk5 s HIS 69 Ca 0.00 0.25 -0.27 0.00 1.02 0.00 0.00 55.06 56.06 2pk5 s HIS 69 Cb 0.00 -2.39 -0.09 0.00 -1.02 0.00 0.00 32.58 29.07 2pk5 s HIS 69 CO 0.00 -0.09 0.92 0.15 1.02 0.00 0.00 174.74 176.74 2pk5 s LYS 70 N 1.55 4.66 0.07 1.40 1.02 -1.26 -0.91 119.74 126.28 2pk5 s LYS 70 Ca 0.10 1.35 -0.10 0.00 0.02 0.00 0.00 55.97 57.34 2pk5 s LYS 70 Cb -0.15 -3.00 0.00 0.00 -0.52 0.00 0.00 37.83 34.16 2pk5 s LYS 70 CO 0.08 0.39 0.21 0.00 -0.92 0.00 0.00 175.35 175.11 2pk5 s ALA 71 N -1.43 -0.33 0.02 5.17 0.00 -0.34 -4.85 121.76 119.99 2pk5 s ALA 71 Ca 0.46 -0.45 0.05 0.00 0.00 0.00 0.00 51.96 52.02 2pk5 s ALA 71 Cb -0.21 0.43 -0.02 0.00 0.00 0.00 0.00 23.12 23.32 2pk5 s ALA 71 CO 0.27 -0.47 -0.14 -1.50 0.00 0.00 0.00 175.76 173.92 2pk5 s ILE 72 N -3.40 1.12 -1.44 0.00 2.07 -1.26 -1.07 121.20 117.22 2pk5 s ILE 72 Ca 0.01 -0.83 0.00 0.00 -1.41 0.00 0.00 60.65 58.42 2pk5 s ILE 72 Cb 0.03 -0.98 0.00 0.00 0.13 0.00 0.00 42.46 41.63 2pk5 s ILE 72 CO -0.09 0.14 0.00 0.61 -1.91 0.00 0.00 174.94 173.69 2pk5 n GLY 73 N 2.25 -1.34 3.74 1.50 0.00 -0.63 -4.92 105.19 105.79 2pk5 n GLY 73 Ca -0.16 -0.96 -0.41 0.00 0.00 0.00 0.00 46.02 44.50 2pk5 n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pk5 s THR 74 N -2.82 4.00 -0.07 2.61 2.01 -1.26 -0.83 115.64 119.27 2pk5 s THR 74 Ca 0.00 1.83 0.02 0.00 0.31 0.00 0.00 61.69 63.86 2pk5 s THR 74 Cb 0.00 -4.17 0.01 0.00 0.01 0.00 0.00 72.50 68.35 2pk5 s THR 74 CO 0.00 0.37 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.47 2pk5 s VAL 75 N -0.63 1.22 0.02 3.82 1.01 0.39 -4.49 120.40 121.73 2pk5 s VAL 75 Ca 0.45 -0.53 -0.05 0.00 0.00 0.00 0.00 61.98 61.85 2pk5 s VAL 75 Cb -0.28 -1.10 -0.05 0.00 0.00 0.00 0.00 36.38 34.96 2pk5 s VAL 75 CO 0.34 0.37 0.26 -0.76 0.00 0.00 0.00 175.10 175.31 2pk5 s LEU 76 N 0.60 4.36 -0.06 3.92 1.43 0.22 -1.13 118.68 128.01 2pk5 s LEU 76 Ca -0.14 0.51 0.02 0.00 -1.03 0.00 0.00 54.13 53.48 2pk5 s LEU 76 Cb -0.16 -2.74 0.02 0.00 0.03 0.00 0.00 46.19 43.34 2pk5 s LEU 76 CO 0.04 0.23 -0.09 -0.69 0.23 0.00 0.00 176.35 176.07 2pk5 s VAL 77 N -1.35 0.91 -1.89 -1.59 1.01 0.06 -0.75 120.40 116.79 2pk5 s VAL 77 Ca 0.29 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 61.94 2pk5 s VAL 77 Cb -0.13 -0.87 0.00 0.00 0.00 0.00 0.00 36.38 35.38 2pk5 s VAL 77 CO 0.18 0.31 0.00 0.61 0.00 0.00 0.00 175.10 176.20 2pk5 n GLY 78 N 4.02 -0.80 2.20 4.51 0.00 -0.74 -0.49 105.19 113.89 2pk5 n GLY 78 Ca -0.22 -0.85 -0.22 0.00 0.00 0.00 0.00 46.02 44.72 2pk5 n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2pk5 n PRO 79 N 0.00 2.53 -2.63 1.61 -0.04 -1.26 -3.53 135.00 131.68 2pk5 n PRO 79 Ca 0.00 -1.43 -0.39 0.00 -0.04 0.00 0.00 63.50 61.64 2pk5 n PRO 79 Cb 0.00 -2.31 -0.05 0.00 -0.04 0.00 0.00 33.50 31.10 2pk5 n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2pk5 s THR 80 N 1.76 3.85 -0.32 0.52 -1.32 -1.26 -4.96 115.64 113.92 2pk5 s THR 80 Ca 0.62 1.70 0.27 0.00 -1.21 0.00 0.00 61.69 63.08 2pk5 s THR 80 Cb 0.23 -4.02 0.31 0.00 -1.51 0.00 0.00 72.50 67.51 2pk5 s THR 80 CO -0.03 0.29 1.80 1.55 -2.21 0.00 0.00 174.62 176.03 2pk5 h PRO 81 N 3.54 0.00 -3.30 7.08 0.13 -1.98 -3.44 132.00 134.03 2pk5 h PRO 81 Ca -0.47 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.47 2pk5 h PRO 81 Cb 1.20 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.06 2pk5 h PRO 81 CO 0.66 0.00 -0.54 0.08 -0.23 0.00 0.00 178.00 177.97 2pk5 s VAL 82 N -3.39 -0.01 0.04 1.56 1.01 -1.26 -5.09 120.40 113.25 2pk5 s VAL 82 Ca 0.04 0.04 -0.31 0.00 0.00 0.00 0.00 61.98 61.76 2pk5 s VAL 82 Cb 0.09 -0.25 -0.07 0.00 0.00 0.00 0.00 36.38 36.16 2pk5 s VAL 82 CO 0.50 0.02 1.46 0.20 0.00 0.00 0.00 175.10 177.27 2pk5 s ASN 83 N 0.35 6.79 -0.14 3.32 0.01 -1.26 -4.79 114.94 119.21 2pk5 s ASN 83 Ca -0.02 2.25 0.02 0.00 -0.71 0.00 0.00 52.86 54.39 2pk5 s ASN 83 Cb -0.03 -2.57 0.01 0.00 0.41 0.00 0.00 41.25 39.07 2pk5 s ASN 83 CO -0.01 -0.74 -0.19 0.27 -1.51 0.00 0.00 177.10 174.91 2pk5 s ILE 84 N 2.17 1.86 -0.35 0.60 -4.36 0.24 -0.27 121.20 121.09 2pk5 s ILE 84 Ca 0.66 -0.85 -0.20 0.00 -0.26 0.00 0.00 60.65 60.01 2pk5 s ILE 84 Cb -0.35 -1.67 -0.00 0.00 1.25 0.00 0.00 42.46 41.70 2pk5 s ILE 84 CO 0.29 0.51 0.62 -0.63 0.24 0.00 0.00 174.94 175.96 2pk5 s ILE 85 N 0.99 4.92 0.37 8.37 -1.09 0.62 -1.61 121.20 133.77 2pk5 s ILE 85 Ca -0.04 0.60 0.06 0.00 -2.23 0.00 0.00 60.65 59.03 2pk5 s ILE 85 Cb -0.15 -4.05 0.06 0.00 -1.58 0.00 0.00 42.46 36.75 2pk5 s ILE 85 CO -0.04 -0.27 0.49 0.61 -1.23 0.00 0.00 174.94 174.50 2pk5 n GLY 86 N 4.65 2.05 0.25 6.18 0.00 -1.18 -0.86 105.19 116.27 2pk5 n GLY 86 Ca -0.02 -2.20 0.07 0.00 0.00 0.00 0.00 46.02 43.88 2pk5 n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2pk5 h ARG 87 N 0.00 0.00 0.00 1.61 3.08 -0.94 -1.31 114.38 116.81 2pk5 h ARG 87 Ca -0.18 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.86 2pk5 h ARG 87 Cb 0.80 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.85 2pk5 h ARG 87 CO 0.26 0.06 -0.05 -2.95 -1.07 0.00 0.00 179.97 176.22 2pk5 h ASN 88 N 0.00 0.00 0.00 7.04 -1.07 -1.78 -2.21 115.58 117.56 2pk5 h ASN 88 Ca -0.00 0.00 -0.24 0.00 0.07 0.00 0.00 56.30 56.13 2pk5 h ASN 88 Cb 0.10 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 36.31 2pk5 h ASN 88 CO 0.01 0.05 -2.06 0.18 0.07 0.00 0.00 177.43 175.67 2pk5 n LEU 89 N -4.09 0.00 -0.19 6.14 4.77 -0.73 -4.44 117.00 118.47 2pk5 n LEU 89 Ca -0.03 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.94 2pk5 n LEU 89 Cb 0.13 0.32 0.22 0.00 -2.33 0.00 0.00 43.42 41.76 2pk5 n LEU 89 CO 0.31 0.32 1.15 -0.07 -1.33 0.00 0.00 177.39 177.77 2pk5 h LEU 90 N 0.00 0.85 -1.03 2.23 3.38 -1.05 -1.98 115.31 117.71 2pk5 h LEU 90 Ca -0.35 -0.06 0.05 0.00 0.09 0.00 0.00 57.88 57.60 2pk5 h LEU 90 Cb 1.76 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 42.23 2pk5 h LEU 90 CO 0.02 0.68 0.64 0.71 0.09 0.00 0.00 178.44 180.59 2pk5 h THR 91 N 0.96 1.13 0.00 0.22 1.35 -1.63 -1.68 112.91 113.25 2pk5 h THR 91 Ca 0.24 -0.41 -0.06 0.00 -0.55 0.00 0.00 66.41 65.63 2pk5 h THR 91 Cb 0.02 -0.18 -0.01 0.00 -1.73 0.00 0.00 68.15 66.26 2pk5 h THR 91 CO -0.04 0.22 -0.29 1.56 -0.25 0.00 0.00 175.52 176.72 2pk5 h GLN 92 N 1.20 0.00 -0.18 4.72 1.08 -1.57 -2.01 115.11 118.35 2pk5 h GLN 92 Ca 0.41 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.61 2pk5 h GLN 92 Cb 0.08 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.51 2pk5 h GLN 92 CO -0.14 0.29 0.00 0.44 -0.95 0.00 0.00 178.83 178.47 2pk5 n ILE 93 N -3.66 0.22 -1.97 2.54 -5.35 -1.13 -4.95 119.36 105.06 2pk5 n ILE 93 Ca -0.01 -0.47 -0.04 0.00 -0.27 0.00 0.00 62.75 61.96 2pk5 n ILE 93 Cb 0.41 0.76 -0.00 0.00 -1.74 0.00 0.00 39.64 39.06 2pk5 n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2pk5 n GLY 94 N 1.28 0.25 3.70 3.28 0.00 -0.76 -5.01 105.19 107.94 2pk5 n GLY 94 Ca 0.17 -0.73 -0.42 0.00 0.00 0.00 0.00 46.02 45.04 2pk5 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pk5 s THR 96 N 1.51 1.55 -0.01 0.00 -4.23 -1.26 -4.64 115.64 108.55 2pk5 s THR 96 Ca 0.52 -2.15 -0.16 0.00 -1.18 0.00 0.00 61.69 58.72 2pk5 s THR 96 Cb -0.21 -1.97 -0.06 0.00 1.34 0.00 0.00 72.50 71.61 2pk5 s THR 96 CO 0.24 -0.64 0.44 -0.76 -0.54 0.00 0.00 174.62 173.36 2pk5 s LEU 97 N -3.24 4.45 -0.02 4.79 1.43 -1.26 -5.10 118.68 119.73 2pk5 s LEU 97 Ca 0.20 0.97 0.00 0.00 -1.03 0.00 0.00 54.13 54.27 2pk5 s LEU 97 Cb 0.00 -2.64 0.03 0.00 0.03 0.00 0.00 46.19 43.61 2pk5 s LEU 97 CO 0.05 0.26 0.01 0.20 0.23 0.00 0.00 176.35 177.11 2pk5 s ASN 98 N -0.79 0.23 0.00 2.29 0.01 -1.26 -5.29 114.94 110.13 2pk5 s ASN 98 Ca 0.24 0.01 0.00 0.00 -0.71 0.00 0.00 52.86 52.40 2pk5 s ASN 98 Cb -0.17 -0.14 0.00 0.00 0.41 0.00 0.00 41.25 41.35 2pk5 s ASN 98 CO 0.13 -0.11 0.00 2.22 -1.51 0.00 0.00 177.10 177.83