#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hr0 s ILE 4 N 0.00 -0.46 -0.37 -0.18 -4.36 -0.17 -4.36 121.20 111.30 1hr0 s ILE 4 Ca 0.00 -1.28 -0.31 0.00 -0.26 0.00 0.00 60.65 58.80 1hr0 s ILE 4 Cb 0.00 -0.52 -0.09 0.00 1.25 0.00 0.00 42.46 43.10 1hr0 s ILE 4 CO 0.00 -0.49 2.27 -1.14 0.24 0.00 0.00 174.94 175.81 1hr0 n ARG 5 N 3.51 1.28 -3.77 0.37 0.63 -0.56 -3.82 116.66 114.30 1hr0 n ARG 5 Ca 0.18 0.30 -0.37 0.00 -0.92 0.00 0.00 57.85 57.04 1hr0 n ARG 5 Cb 0.51 -2.80 -0.12 0.00 0.45 0.00 0.00 32.46 30.49 1hr0 n ARG 5 CO 0.00 0.00 0.00 0.96 -2.51 0.00 0.00 177.63 176.08 1hr0 s ILE 6 N 8.52 3.61 -0.56 5.15 -4.36 -1.23 -0.26 121.20 132.07 1hr0 s ILE 6 Ca 1.07 -1.30 -0.09 0.00 -0.26 0.00 0.00 60.65 60.08 1hr0 s ILE 6 Cb -0.61 -3.11 0.14 0.00 1.25 0.00 0.00 42.46 40.13 1hr0 s ILE 6 CO 0.41 -0.24 0.43 -0.75 0.24 0.00 0.00 174.94 175.03 1hr0 s LYS 7 N 1.35 2.67 -0.12 0.37 2.20 0.21 -3.90 119.74 122.52 1hr0 s LYS 7 Ca -0.01 -2.03 -0.22 0.00 -0.36 0.00 0.00 55.97 53.34 1hr0 s LYS 7 Cb -0.20 -3.97 -0.03 0.00 -1.51 0.00 0.00 37.83 32.12 1hr0 s LYS 7 CO 0.01 -1.21 0.68 -0.51 -0.36 0.00 0.00 175.35 173.97 1hr0 s LEU 8 N 0.88 4.25 -0.11 5.43 1.43 0.57 -2.52 118.68 128.60 1hr0 s LEU 8 Ca 0.10 1.06 0.01 0.00 -1.03 0.00 0.00 54.13 54.26 1hr0 s LEU 8 Cb -0.22 -3.02 0.02 0.00 0.03 0.00 0.00 46.19 43.00 1hr0 s LEU 8 CO -0.03 -0.19 -0.12 0.00 0.23 0.00 0.00 176.35 176.24 1hr0 s ARG 9 N 1.27 1.96 0.33 1.70 1.70 -1.17 -0.49 118.95 124.26 1hr0 s ARG 9 Ca 0.34 -0.45 0.05 0.00 -0.47 0.00 0.00 55.73 55.20 1hr0 s ARG 9 Cb -0.17 -1.77 -0.03 0.00 -0.57 0.00 0.00 34.95 32.41 1hr0 s ARG 9 CO 0.14 -0.14 0.19 0.20 -1.08 0.00 0.00 175.30 174.62 1hr0 s GLY 10 N 1.24 2.26 -0.16 3.88 0.00 -1.12 -2.61 107.32 110.81 1hr0 s GLY 10 Ca -0.02 -1.74 0.14 0.00 0.00 0.00 0.00 44.72 43.10 1hr0 s GLY 10 CO -0.05 -1.59 0.20 0.69 0.00 0.00 0.00 173.10 172.35 1hr0 n PHE 11 N -0.66 0.29 -3.42 1.90 0.99 -1.26 -1.27 117.46 114.03 1hr0 n PHE 11 Ca 0.02 0.10 -0.35 0.00 -0.00 0.00 0.00 57.45 57.21 1hr0 n PHE 11 Cb 0.64 -1.05 -0.06 0.00 -1.00 0.00 0.00 39.48 38.01 1hr0 n PHE 11 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 1hr0 s ASP 12 N -5.78 6.79 -0.16 4.37 -1.08 -1.26 -4.76 116.67 114.79 1hr0 s ASP 12 Ca -0.11 1.00 0.08 0.00 -0.52 0.00 0.00 52.55 53.00 1hr0 s ASP 12 Cb 0.07 -2.26 0.49 0.00 -1.46 0.00 0.00 42.92 39.75 1hr0 s ASP 12 CO 0.81 0.15 1.28 0.00 0.52 0.00 0.00 175.17 177.93 1hr0 n HIS 13 N 0.96 1.32 0.00 -5.34 1.44 -1.26 -3.42 115.22 108.91 1hr0 n HIS 13 Ca -0.07 -0.52 0.00 0.00 -2.01 0.00 0.00 57.72 55.12 1hr0 n HIS 13 Cb 0.52 -0.38 0.00 0.00 0.12 0.00 0.00 29.99 30.25 1hr0 n HIS 13 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1hr0 n LYS 14 N 0.29 1.01 0.00 -1.40 5.02 -1.26 -3.71 118.16 118.10 1hr0 n LYS 14 Ca 0.19 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.50 1hr0 n LYS 14 Cb 0.86 -0.89 0.14 0.00 -0.02 0.00 0.00 35.03 35.12 1hr0 n LYS 14 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1hr0 n THR 15 N -2.07 0.81 0.06 -0.18 5.66 -1.22 -1.34 114.28 115.99 1hr0 n THR 15 Ca 0.00 0.20 0.00 0.00 -3.05 0.00 0.00 64.05 61.20 1hr0 n THR 15 Cb 0.39 -1.12 0.00 0.00 -1.55 0.00 0.00 70.33 68.05 1hr0 n THR 15 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1hr0 n LEU 16 N -1.24 0.65 -0.44 1.09 4.77 -1.25 -4.02 117.00 116.56 1hr0 n LEU 16 Ca 0.03 0.19 0.36 0.00 -0.03 0.00 0.00 56.01 56.55 1hr0 n LEU 16 Cb 0.04 -0.12 0.65 0.00 -2.33 0.00 0.00 43.42 41.66 1hr0 n LEU 16 CO 0.04 -0.72 1.27 0.44 -1.33 0.00 0.00 177.39 177.09 1hr0 h ASP 17 N 0.00 0.23 0.00 -1.43 3.32 -1.64 0.59 116.42 117.50 1hr0 h ASP 17 Ca 0.00 0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.15 1hr0 h ASP 17 Cb 0.00 0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1hr0 h ASP 17 CO 0.00 -0.10 -0.07 0.00 -1.72 0.00 0.00 179.24 177.35 1hr0 h ALA 18 N 1.53 0.00 -1.32 3.45 0.00 -1.48 -3.30 119.26 118.14 1hr0 h ALA 18 Ca 0.77 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.50 1hr0 h ALA 18 Cb 2.47 0.07 0.00 0.00 0.00 0.00 0.00 17.79 20.33 1hr0 h ALA 18 CO -0.32 0.07 0.00 0.45 0.00 0.00 0.00 179.25 179.45 1hr0 n SER 19 N -2.79 0.00 -0.28 0.00 2.88 -0.67 -0.64 113.62 112.12 1hr0 n SER 19 Ca -0.01 0.78 0.32 0.00 -1.33 0.00 0.00 58.87 58.63 1hr0 n SER 19 Cb 0.04 -0.28 0.56 0.00 -0.75 0.00 0.00 64.21 63.77 1hr0 n SER 19 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1hr0 h ALA 20 N -1.58 3.05 0.00 -1.46 0.00 -0.06 2.58 119.26 121.80 1hr0 h ALA 20 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1hr0 h ALA 20 Cb 0.00 0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1hr0 h ALA 20 CO 0.00 -1.75 0.00 0.94 0.00 0.00 0.00 179.25 178.44 1hr0 n GLN 21 N -3.46 0.21 -0.03 0.00 7.27 0.18 -2.77 117.38 118.78 1hr0 n GLN 21 Ca 0.26 0.27 -0.13 0.00 0.07 0.00 0.00 57.00 57.47 1hr0 n GLN 21 Cb 1.51 -1.79 -0.10 0.00 2.41 0.00 0.00 30.24 32.26 1hr0 n GLN 21 CO 0.00 0.00 0.00 0.87 0.07 0.00 0.00 177.06 178.00 1hr0 h LYS 22 N 0.00 -0.04 0.00 3.69 1.57 0.48 -1.27 116.57 121.00 1hr0 h LYS 22 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1hr0 h LYS 22 Cb 0.57 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.89 1hr0 h LYS 22 CO 0.00 0.64 0.33 0.82 -0.57 0.00 0.00 179.45 180.67 1hr0 h ILE 23 N -0.79 0.00 0.00 1.86 5.03 -1.47 -0.89 117.51 121.24 1hr0 h ILE 23 Ca -0.00 0.00 -0.16 0.00 -0.12 0.00 0.00 64.86 64.58 1hr0 h ILE 23 Cb 0.69 0.47 -0.02 0.00 -3.03 0.00 0.00 36.82 34.93 1hr0 h ILE 23 CO 0.01 0.00 -1.35 0.52 -0.68 0.00 0.00 178.15 176.65 1hr0 n VAL 24 N -2.48 1.50 0.09 1.67 0.31 -1.13 -3.98 118.33 114.30 1hr0 n VAL 24 Ca -0.01 -0.01 0.04 0.00 -0.01 0.00 0.00 64.34 64.35 1hr0 n VAL 24 Cb 0.37 -2.19 0.21 0.00 -0.91 0.00 0.00 33.84 31.32 1hr0 n VAL 24 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1hr0 n GLU 25 N -4.43 0.05 0.00 5.55 1.02 -0.49 -2.11 120.64 120.23 1hr0 n GLU 25 Ca -0.26 0.52 0.00 0.00 -0.02 0.00 0.00 57.16 57.41 1hr0 n GLU 25 Cb 0.59 -1.65 0.00 0.00 -0.02 0.00 0.00 31.44 30.35 1hr0 n GLU 25 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1hr0 n ALA 26 N -1.59 0.00 0.00 0.62 0.00 -0.38 -4.10 120.51 115.05 1hr0 n ALA 26 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1hr0 n ALA 26 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.48 1hr0 n ALA 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1hr0 n ALA 27 N -1.19 1.44 1.88 0.00 0.00 -1.21 -1.43 120.51 120.01 1hr0 n ALA 27 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 1hr0 n ALA 27 Cb 0.00 -0.96 0.27 0.00 0.00 0.00 0.00 19.45 18.76 1hr0 n ALA 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1hr0 n ARG 28 N -0.95 1.09 -2.69 0.00 1.74 -0.90 -1.56 116.66 113.39 1hr0 n ARG 28 Ca 0.00 -0.15 -0.07 0.00 -0.77 0.00 0.00 57.85 56.86 1hr0 n ARG 28 Cb 0.00 -1.16 0.09 0.00 -1.02 0.00 0.00 32.46 30.36 1hr0 n ARG 28 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1hr0 n ARG 29 N -0.51 1.21 0.00 5.56 1.74 -0.51 -4.83 116.66 119.32 1hr0 n ARG 29 Ca 0.08 -2.32 0.00 0.00 -0.77 0.00 0.00 57.85 54.84 1hr0 n ARG 29 Cb 0.07 -0.47 0.00 0.00 -1.02 0.00 0.00 32.46 31.04 1hr0 n ARG 29 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1hr0 n SER 30 N -0.49 0.00 0.00 0.55 3.41 -1.20 -4.98 113.62 110.90 1hr0 n SER 30 Ca 0.00 -0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.57 1hr0 n SER 30 Cb 0.84 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.79 1hr0 n SER 30 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1hr0 n GLY 31 N 0.00 5.14 0.00 5.00 0.00 -0.60 -2.79 105.19 111.93 1hr0 n GLY 31 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.32 1hr0 n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hr0 n ALA 32 N -3.00 0.00 1.06 4.61 0.00 -1.18 -4.93 120.51 117.07 1hr0 n ALA 32 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 1hr0 n ALA 32 Cb 0.00 0.00 0.53 0.00 0.00 0.00 0.00 19.45 19.98 1hr0 n ALA 32 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1hr0 n GLN 33 N 0.00 0.09 -1.68 0.00 -0.06 -1.26 -4.54 117.38 109.92 1hr0 n GLN 33 Ca 0.00 -0.02 0.00 0.00 -2.00 0.00 0.00 57.00 54.98 1hr0 n GLN 33 Cb 0.00 -1.50 0.00 0.00 -4.06 0.00 0.00 30.24 24.68 1hr0 n GLN 33 CO 0.00 0.00 0.00 0.28 -0.20 0.00 0.00 177.06 177.14 1hr0 n VAL 34 N -1.44 -5.31 0.13 1.69 0.31 -1.26 -4.37 118.33 108.09 1hr0 n VAL 34 Ca 0.08 2.40 0.00 0.00 -0.01 0.00 0.00 64.34 66.81 1hr0 n VAL 34 Cb 0.33 -3.23 0.00 0.00 -0.91 0.00 0.00 33.84 30.03 1hr0 n VAL 34 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1hr0 n SER 35 N 0.31 0.13 -1.22 4.52 7.64 0.31 -4.87 113.62 120.44 1hr0 n SER 35 Ca 0.00 -0.26 0.02 0.00 1.01 0.00 0.00 58.87 59.64 1hr0 n SER 35 Cb 0.00 -0.06 -0.01 0.00 -1.01 0.00 0.00 64.21 63.12 1hr0 n SER 35 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1hr0 n GLY 36 N 0.43 -3.72 3.62 0.23 0.00 -1.25 -4.60 105.19 99.89 1hr0 n GLY 36 Ca 0.00 -0.98 -0.43 0.00 0.00 0.00 0.00 46.02 44.61 1hr0 n GLY 36 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1hr0 s PRO 37 N -4.95 3.61 -0.20 1.61 0.04 -1.26 -3.86 135.00 129.98 1hr0 s PRO 37 Ca 0.00 1.63 -0.10 0.00 0.04 0.00 0.00 61.00 62.56 1hr0 s PRO 37 Cb 0.00 -4.12 -0.05 0.00 0.04 0.00 0.00 34.50 30.37 1hr0 s PRO 37 CO 0.00 -1.53 0.15 0.96 0.04 0.00 0.00 177.00 176.62 1hr0 s ILE 38 N 5.94 5.39 0.00 0.56 -4.36 -1.26 -4.79 121.20 122.68 1hr0 s ILE 38 Ca 0.77 0.23 0.00 0.00 -0.26 0.00 0.00 60.65 61.39 1hr0 s ILE 38 Cb -0.25 -3.49 0.00 0.00 1.25 0.00 0.00 42.46 39.97 1hr0 s ILE 38 CO 0.32 0.43 0.06 -0.81 0.24 0.00 0.00 174.94 175.18 1hr0 n PRO 39 N 3.58 0.00 -0.13 0.37 -0.04 -1.26 -0.55 135.00 136.97 1hr0 n PRO 39 Ca -0.15 0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 1hr0 n PRO 39 Cb 0.52 -0.56 0.00 0.00 -0.04 0.00 0.00 33.50 33.42 1hr0 n PRO 39 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1hr0 n LEU 40 N -0.10 -0.74 -4.58 1.53 4.77 -1.26 -2.74 117.00 113.88 1hr0 n LEU 40 Ca 0.00 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.55 1hr0 n LEU 40 Cb 0.00 -0.15 -0.00 0.00 -2.33 0.00 0.00 43.42 40.93 1hr0 n LEU 40 CO 0.00 0.00 0.53 -0.81 -1.33 0.00 0.00 177.39 175.78 1hr0 n PRO 41 N 1.83 1.28 -3.36 3.23 -0.04 -1.26 -4.21 135.00 132.48 1hr0 n PRO 41 Ca 0.00 0.45 -0.38 0.00 -0.04 0.00 0.00 63.50 63.53 1hr0 n PRO 41 Cb 0.00 -1.88 -0.06 0.00 -0.04 0.00 0.00 33.50 31.52 1hr0 n PRO 41 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1hr0 s THR 42 N -1.18 5.08 -0.44 0.52 2.01 -1.26 -4.60 115.64 115.77 1hr0 s THR 42 Ca 0.60 0.97 -0.16 0.00 0.31 0.00 0.00 61.69 63.41 1hr0 s THR 42 Cb -0.64 -3.80 0.04 0.00 0.01 0.00 0.00 72.50 68.10 1hr0 s THR 42 CO 0.59 0.43 0.41 -0.13 -0.69 0.00 0.00 174.62 175.22 1hr0 s ARG 43 N -0.08 3.03 0.48 4.92 0.52 -1.05 -4.95 118.95 121.82 1hr0 s ARG 43 Ca 0.26 -1.00 -0.07 0.00 -0.52 0.00 0.00 55.73 54.40 1hr0 s ARG 43 Cb -0.16 -4.03 -0.04 0.00 0.52 0.00 0.00 34.95 31.24 1hr0 s ARG 43 CO 0.12 -0.91 0.81 0.08 0.02 0.00 0.00 175.30 175.42 1hr0 s VAL 44 N 1.94 4.86 0.31 3.52 1.01 -1.26 -2.28 120.40 128.48 1hr0 s VAL 44 Ca 0.08 0.38 0.10 0.00 0.00 0.00 0.00 61.98 62.55 1hr0 s VAL 44 Cb -0.20 -3.83 -0.06 0.00 0.00 0.00 0.00 36.38 32.29 1hr0 s VAL 44 CO 0.11 -0.80 -0.14 -0.13 0.00 0.00 0.00 175.10 174.13 1hr0 s ARG 45 N -4.56 1.73 -0.04 2.72 1.81 -1.24 -4.90 118.95 114.48 1hr0 s ARG 45 Ca 0.49 -1.85 -0.06 0.00 -1.72 0.00 0.00 55.73 52.60 1hr0 s ARG 45 Cb -0.10 -1.70 0.01 0.00 -0.45 0.00 0.00 34.95 32.71 1hr0 s ARG 45 CO 0.42 0.22 0.14 1.03 -0.68 0.00 0.00 175.30 176.44 1hr0 s ARG 46 N -3.57 0.26 -0.28 3.54 1.81 -1.23 -3.41 118.95 116.07 1hr0 s ARG 46 Ca 0.31 0.04 -0.03 0.00 -1.72 0.00 0.00 55.73 54.33 1hr0 s ARG 46 Cb -0.01 0.12 0.11 0.00 -0.45 0.00 0.00 34.95 34.72 1hr0 s ARG 46 CO 0.15 -0.05 0.18 -0.06 -0.68 0.00 0.00 175.30 174.85 1hr0 s PHE 47 N -0.33 0.08 -0.38 -0.53 0.40 0.44 -4.94 117.98 112.71 1hr0 s PHE 47 Ca -0.04 -0.62 -0.19 0.00 -0.60 0.00 0.00 56.93 55.48 1hr0 s PHE 47 Cb -0.03 -0.75 0.01 0.00 0.51 0.00 0.00 43.02 42.76 1hr0 s PHE 47 CO 0.01 -0.84 0.55 0.99 0.70 0.00 0.00 175.22 176.63 1hr0 s THR 48 N 2.18 4.97 -0.15 0.64 2.01 -1.26 -1.98 115.64 122.05 1hr0 s THR 48 Ca 0.09 0.22 -0.00 0.00 0.31 0.00 0.00 61.69 62.30 1hr0 s THR 48 Cb -0.15 -4.04 0.04 0.00 0.01 0.00 0.00 72.50 68.35 1hr0 s THR 48 CO -0.34 -0.35 -0.06 0.68 -0.69 0.00 0.00 174.62 173.86 1hr0 s VAL 49 N 2.49 1.12 -0.35 3.82 -7.23 -0.79 -5.04 120.40 114.42 1hr0 s VAL 49 Ca 0.19 -0.56 -0.38 0.00 -1.81 0.00 0.00 61.98 59.43 1hr0 s VAL 49 Cb -0.15 -1.24 -0.17 0.00 0.56 0.00 0.00 36.38 35.38 1hr0 s VAL 49 CO 0.15 0.20 1.26 -0.38 -0.31 0.00 0.00 175.10 176.01 1hr0 n ILE 50 N 4.88 0.00 0.13 -0.62 5.41 -1.24 -3.67 119.36 124.25 1hr0 n ILE 50 Ca -0.12 0.00 -0.14 0.00 1.00 0.00 0.00 62.75 63.48 1hr0 n ILE 50 Cb 0.48 -0.35 -0.07 0.00 -0.71 0.00 0.00 39.64 38.99 1hr0 n ILE 50 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 1hr0 h ARG 51 N 3.89 -0.64 -6.58 0.38 3.08 -1.81 -3.43 114.38 109.27 1hr0 h ARG 51 Ca -0.37 0.04 -0.43 0.00 0.07 0.00 0.00 59.98 59.29 1hr0 h ARG 51 Cb 1.14 0.14 0.03 0.00 0.08 0.00 0.00 29.97 31.37 1hr0 h ARG 51 CO 0.77 -0.42 -0.18 0.20 -1.07 0.00 0.00 179.97 179.27 1hr0 s GLY 52 N -2.36 1.85 0.71 0.04 0.00 -1.26 -5.00 107.32 101.30 1hr0 s GLY 52 Ca -0.16 -1.49 -0.11 0.00 0.00 0.00 0.00 44.72 42.96 1hr0 s GLY 52 CO 0.63 -1.29 1.09 2.56 0.00 0.00 0.00 173.10 176.09 1hr0 s PRO 53 N -4.49 2.72 0.08 2.90 0.04 -1.26 -4.80 135.00 130.19 1hr0 s PRO 53 Ca 0.54 0.35 0.00 0.00 0.04 0.00 0.00 61.00 61.93 1hr0 s PRO 53 Cb -0.10 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.40 1hr0 s PRO 53 CO 0.35 -1.08 0.00 0.34 0.04 0.00 0.00 177.00 176.65 1hr0 n PHE 54 N -3.00 -2.71 -1.47 0.56 7.35 -1.26 -4.87 117.46 112.05 1hr0 n PHE 54 Ca 0.07 1.62 0.00 0.00 -0.76 0.00 0.00 57.45 58.38 1hr0 n PHE 54 Cb 0.58 -2.35 0.00 0.00 0.35 0.00 0.00 39.48 38.06 1hr0 n PHE 54 CO 0.00 0.00 0.00 0.36 -0.76 0.00 0.00 176.76 176.36 1hr0 n LYS 55 N 1.83 0.00 -3.35 -4.13 2.85 -1.26 -4.91 118.16 109.19 1hr0 n LYS 55 Ca 0.00 0.00 -0.17 0.00 -1.05 0.00 0.00 58.31 57.09 1hr0 n LYS 55 Cb 0.00 0.00 0.08 0.00 -0.65 0.00 0.00 35.03 34.46 1hr0 n LYS 55 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1hr0 n HIS 56 N 0.00 -2.17 0.10 5.58 8.25 -1.26 -4.81 115.22 120.91 1hr0 n HIS 56 Ca 0.00 0.86 0.02 0.00 -0.26 0.00 0.00 57.72 58.34 1hr0 n HIS 56 Cb 0.00 -4.70 0.10 0.00 1.12 0.00 0.00 29.99 26.51 1hr0 n HIS 56 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1hr0 n LYS 57 N -4.05 0.03 -0.44 -0.41 2.85 -1.26 -0.98 118.16 113.91 1hr0 n LYS 57 Ca -0.16 0.37 0.08 0.00 -1.05 0.00 0.00 58.31 57.55 1hr0 n LYS 57 Cb 0.62 -2.06 0.28 0.00 -0.65 0.00 0.00 35.03 33.22 1hr0 n LYS 57 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1hr0 n ASP 58 N -1.59 4.02 0.00 -5.58 8.00 -1.26 -4.72 116.55 115.42 1hr0 n ASP 58 Ca -0.00 -2.37 0.00 0.00 0.71 0.00 0.00 54.79 53.13 1hr0 n ASP 58 Cb 0.47 -0.47 0.00 0.00 -0.02 0.00 0.00 41.12 41.11 1hr0 n ASP 58 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1hr0 n SER 59 N 0.73 0.00 0.00 -2.24 7.64 -0.15 -4.93 113.62 114.67 1hr0 n SER 59 Ca 0.21 0.52 0.00 0.00 1.01 0.00 0.00 58.87 60.61 1hr0 n SER 59 Cb 0.73 -0.16 0.00 0.00 -1.01 0.00 0.00 64.21 63.77 1hr0 n SER 59 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1hr0 n ARG 60 N -0.98 0.00 -1.82 1.43 3.00 -1.24 -4.60 116.66 112.45 1hr0 n ARG 60 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 1hr0 n ARG 60 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1hr0 n ARG 60 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 1hr0 n GLU 61 N 0.00 -2.43 -3.71 5.56 2.13 -1.26 -1.88 120.64 119.05 1hr0 n GLU 61 Ca 0.00 1.71 -0.34 0.00 0.66 0.00 0.00 57.16 59.19 1hr0 n GLU 61 Cb 0.00 -2.18 -0.05 0.00 0.27 0.00 0.00 31.44 29.48 1hr0 n GLU 61 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 1hr0 s HIS 62 N -0.23 3.56 0.03 4.31 3.76 -1.26 -2.95 115.29 122.51 1hr0 s HIS 62 Ca 0.00 0.60 0.04 0.00 -0.15 0.00 0.00 55.06 55.55 1hr0 s HIS 62 Cb 0.00 -2.02 -0.02 0.00 1.11 0.00 0.00 32.58 31.65 1hr0 s HIS 62 CO 0.00 0.56 -0.11 -0.06 -0.85 0.00 0.00 174.74 174.28 1hr0 s PHE 63 N -1.39 0.96 0.02 1.40 0.40 -0.84 -4.97 117.98 113.57 1hr0 s PHE 63 Ca 0.31 -0.34 0.01 0.00 -0.60 0.00 0.00 56.93 56.31 1hr0 s PHE 63 Cb -0.13 -0.58 -0.02 0.00 0.51 0.00 0.00 43.02 42.80 1hr0 s PHE 63 CO 0.19 -0.00 -0.04 -1.83 0.70 0.00 0.00 175.22 174.24 1hr0 s GLU 64 N -1.07 0.33 -0.54 0.44 -1.05 -1.25 -0.42 118.70 115.14 1hr0 s GLU 64 Ca -0.01 -0.54 0.04 0.00 -0.15 0.00 0.00 54.97 54.31 1hr0 s GLU 64 Cb -0.07 -0.04 0.17 0.00 -0.44 0.00 0.00 34.13 33.75 1hr0 s GLU 64 CO 0.01 -0.01 0.41 -1.17 0.95 0.00 0.00 175.26 175.45 1hr0 s LEU 65 N -1.21 2.93 -0.33 1.83 0.20 -1.22 -4.87 118.68 116.01 1hr0 s LEU 65 Ca -0.11 -3.41 -0.29 0.00 0.69 0.00 0.00 54.13 51.01 1hr0 s LEU 65 Cb -0.08 -0.97 0.01 0.00 -0.43 0.00 0.00 46.19 44.71 1hr0 s LEU 65 CO -0.00 -0.13 1.23 0.00 -0.29 0.00 0.00 176.35 177.15 1hr0 s ARG 66 N -0.60 3.92 -0.32 1.98 1.70 -1.26 -3.65 118.95 120.72 1hr0 s ARG 66 Ca 0.29 1.13 -0.22 0.00 -0.47 0.00 0.00 55.73 56.46 1hr0 s ARG 66 Cb -0.00 -3.85 -0.00 0.00 -0.57 0.00 0.00 34.95 30.52 1hr0 s ARG 66 CO -0.18 -1.11 0.73 0.99 -1.08 0.00 0.00 175.30 174.65 1hr0 s THR 67 N 4.24 4.83 0.36 4.99 2.01 -0.97 -4.66 115.64 126.44 1hr0 s THR 67 Ca 0.53 0.96 -0.02 0.00 0.31 0.00 0.00 61.69 63.48 1hr0 s THR 67 Cb -0.14 -4.11 -0.04 0.00 0.01 0.00 0.00 72.50 68.22 1hr0 s THR 67 CO 0.22 -0.26 0.59 -1.00 -0.69 0.00 0.00 174.62 173.48 1hr0 s HIS 68 N 2.86 3.51 0.13 4.92 0.09 -0.40 -2.53 115.29 123.88 1hr0 s HIS 68 Ca 0.29 0.49 0.05 0.00 -0.00 0.00 0.00 55.06 55.89 1hr0 s HIS 68 Cb -0.14 -2.00 -0.04 0.00 -0.00 0.00 0.00 32.58 30.39 1hr0 s HIS 68 CO 0.13 0.07 -0.11 -0.80 -0.00 0.00 0.00 174.74 174.03 1hr0 s ASN 69 N -3.86 1.83 -0.12 1.40 0.01 -1.26 -2.79 114.94 110.15 1hr0 s ASN 69 Ca 0.42 -0.92 -0.20 0.00 -0.71 0.00 0.00 52.86 51.44 1hr0 s ASN 69 Cb -0.10 -0.03 0.05 0.00 0.41 0.00 0.00 41.25 41.58 1hr0 s ASN 69 CO 0.36 -0.26 0.51 -0.13 -1.51 0.00 0.00 177.10 176.08 1hr0 s ARG 70 N -3.27 0.73 0.00 -0.60 1.81 0.36 -4.29 118.95 113.68 1hr0 s ARG 70 Ca 0.13 0.42 0.00 0.00 -1.72 0.00 0.00 55.73 54.55 1hr0 s ARG 70 Cb -0.01 0.35 0.00 0.00 -0.45 0.00 0.00 34.95 34.84 1hr0 s ARG 70 CO 0.01 -0.16 0.00 -0.11 -0.68 0.00 0.00 175.30 174.37 1hr0 n LEU 71 N 2.02 0.82 0.00 2.53 -0.00 0.29 -0.32 117.00 122.35 1hr0 n LEU 71 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.84 1hr0 n LEU 71 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.98 1hr0 n LEU 71 CO 0.15 0.14 0.00 0.52 -0.00 0.00 0.00 177.39 178.20 1hr0 n VAL 72 N -1.79 0.00 -0.55 1.96 0.31 -1.25 -3.53 118.33 113.48 1hr0 n VAL 72 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1hr0 n VAL 72 Cb 0.34 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.27 1hr0 n VAL 72 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1hr0 n ASP 73 N 1.75 -2.24 -4.04 4.52 9.92 -1.26 -3.54 116.55 121.66 1hr0 n ASP 73 Ca 0.00 0.05 -0.30 0.00 -0.53 0.00 0.00 54.79 54.01 1hr0 n ASP 73 Cb 0.00 -1.13 -0.17 0.00 -0.64 0.00 0.00 41.12 39.19 1hr0 n ASP 73 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1hr0 s ILE 74 N -0.02 1.57 0.34 0.53 1.01 -1.25 0.11 121.20 123.49 1hr0 s ILE 74 Ca 0.00 -0.65 0.07 0.00 0.00 0.00 0.00 60.65 60.07 1hr0 s ILE 74 Cb 0.00 -1.46 -0.02 0.00 0.01 0.00 0.00 42.46 40.99 1hr0 s ILE 74 CO 0.00 0.46 0.35 -0.63 0.00 0.00 0.00 174.94 175.11 1hr0 s ILE 75 N 1.29 3.59 -0.62 2.92 1.01 -1.26 -0.92 121.20 127.21 1hr0 s ILE 75 Ca 0.01 -1.27 -0.02 0.00 0.00 0.00 0.00 60.65 59.36 1hr0 s ILE 75 Cb -0.14 -3.22 -0.03 0.00 0.01 0.00 0.00 42.46 39.09 1hr0 s ILE 75 CO -0.07 -0.15 0.56 0.59 0.00 0.00 0.00 174.94 175.87 1hr0 n ASN 76 N -1.46 -5.59 -4.75 3.58 3.02 -1.26 -3.54 115.26 105.26 1hr0 n ASN 76 Ca -0.01 -0.28 -0.40 0.00 -0.03 0.00 0.00 54.58 53.85 1hr0 n ASN 76 Cb 0.59 -3.87 -0.05 0.00 -0.61 0.00 0.00 39.78 35.85 1hr0 n ASN 76 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1hr0 s PRO 77 N -3.51 4.70 0.36 3.52 0.04 -1.26 -3.10 135.00 135.75 1hr0 s PRO 77 Ca 0.17 1.65 0.06 0.00 0.04 0.00 0.00 61.00 62.91 1hr0 s PRO 77 Cb -0.02 -3.26 -0.07 0.00 0.04 0.00 0.00 34.50 31.19 1hr0 s PRO 77 CO 0.51 0.27 0.02 -0.80 0.04 0.00 0.00 177.00 177.04 1hr0 s ASN 78 N -0.67 3.10 0.34 6.66 0.01 -1.26 -5.00 114.94 118.12 1hr0 s ASN 78 Ca 0.45 -1.35 0.16 0.00 -0.71 0.00 0.00 52.86 51.41 1hr0 s ASN 78 Cb -0.28 -0.24 0.57 0.00 0.41 0.00 0.00 41.25 41.71 1hr0 s ASN 78 CO 0.35 -0.50 1.69 0.03 -1.51 0.00 0.00 177.10 177.17 1hr0 h ARG 79 N 1.98 0.00 0.00 -0.60 2.47 -1.98 -2.45 114.38 113.80 1hr0 h ARG 79 Ca -0.42 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.30 1hr0 h ARG 79 Cb 1.24 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.56 1hr0 h ARG 79 CO 0.74 0.45 -0.35 -0.22 0.56 0.00 0.00 179.97 181.15 1hr0 h LYS 80 N 0.00 0.00 0.27 0.04 1.63 -1.96 -2.95 116.57 113.60 1hr0 h LYS 80 Ca -0.00 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.78 1hr0 h LYS 80 Cb 0.97 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.60 1hr0 h LYS 80 CO 0.06 0.00 -0.13 1.15 -3.45 0.00 0.00 179.45 177.08 1hr0 h THR 81 N 0.00 0.40 0.00 1.00 2.02 -1.27 -2.54 112.91 112.51 1hr0 h THR 81 Ca 0.00 -0.87 0.00 0.00 0.77 0.00 0.00 66.41 66.31 1hr0 h THR 81 Cb 0.80 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 67.88 1hr0 h THR 81 CO 0.00 0.10 0.00 -0.38 0.37 0.00 0.00 175.52 175.61 1hr0 n ILE 82 N -5.02 0.16 -0.03 3.11 5.41 -1.02 -0.64 119.36 121.33 1hr0 n ILE 82 Ca -0.07 0.04 -0.21 0.00 1.00 0.00 0.00 62.75 63.51 1hr0 n ILE 82 Cb 0.23 -0.94 -0.13 0.00 -0.71 0.00 0.00 39.64 38.09 1hr0 n ILE 82 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 1hr0 h GLU 83 N 0.00 0.17 0.21 0.38 4.57 -1.30 -3.33 114.58 115.28 1hr0 h GLU 83 Ca 0.00 -0.29 -0.33 0.00 -1.18 0.00 0.00 59.36 57.56 1hr0 h GLU 83 Cb 0.01 0.11 0.02 0.00 -0.16 0.00 0.00 28.75 28.73 1hr0 h GLU 83 CO 0.00 1.14 -1.55 1.96 -1.18 0.00 0.00 179.01 179.38 1hr0 h GLN 84 N -0.43 0.45 -1.92 1.92 4.20 -0.82 -3.31 115.11 115.18 1hr0 h GLN 84 Ca -0.35 -0.76 -0.34 0.00 0.06 0.00 0.00 58.65 57.26 1hr0 h GLN 84 Cb 1.68 0.28 -0.13 0.00 0.30 0.00 0.00 27.48 29.62 1hr0 h GLN 84 CO -0.02 1.36 0.13 1.28 -0.67 0.00 0.00 178.83 180.90 1hr0 n LEU 85 N -3.64 6.01 0.09 1.46 4.77 0.18 -3.92 117.00 121.95 1hr0 n LEU 85 Ca -0.18 -3.55 0.00 0.00 -0.03 0.00 0.00 56.01 52.24 1hr0 n LEU 85 Cb 1.08 -1.25 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 1hr0 n LEU 85 CO 0.56 1.59 -0.02 0.80 -1.33 0.00 0.00 177.39 178.99 1hr0 n MET 86 N 1.33 0.00 -2.89 3.23 1.56 -1.25 -4.80 117.12 114.31 1hr0 n MET 86 Ca 0.40 0.00 -0.12 0.00 -0.27 0.00 0.00 57.70 57.71 1hr0 n MET 86 Cb 0.66 -0.28 0.03 0.00 2.15 0.00 0.00 33.22 35.78 1hr0 n MET 86 CO 0.00 0.00 0.00 2.41 -0.73 0.00 0.00 175.97 177.65 1hr0 n THR 87 N -3.44 0.23 -0.37 1.12 -1.04 -1.26 -4.79 114.28 104.73 1hr0 n THR 87 Ca 0.00 -3.22 0.01 0.00 -2.04 0.00 0.00 64.05 58.80 1hr0 n THR 87 Cb 0.02 0.47 0.01 0.00 -1.82 0.00 0.00 70.33 69.02 1hr0 n THR 87 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1hr0 n LEU 88 N 0.08 1.50 -4.50 -4.42 4.77 -1.25 -5.07 117.00 108.10 1hr0 n LEU 88 Ca 0.13 -1.58 -0.29 0.00 -0.03 0.00 0.00 56.01 54.25 1hr0 n LEU 88 Cb 0.74 -0.03 0.25 0.00 -2.33 0.00 0.00 43.42 42.04 1hr0 n LEU 88 CO 0.16 0.39 0.53 1.51 -1.33 0.00 0.00 177.39 178.65 1hr0 s ASP 89 N -0.90 0.86 0.12 -1.43 -4.77 -1.26 -5.05 116.67 104.24 1hr0 s ASP 89 Ca 0.02 1.24 0.00 0.00 -3.30 0.00 0.00 52.55 50.51 1hr0 s ASP 89 Cb 0.02 -1.90 0.00 0.00 -1.09 0.00 0.00 42.92 39.96 1hr0 s ASP 89 CO 0.00 -4.23 0.00 0.18 0.70 0.00 0.00 175.17 171.82 1hr0 n LEU 90 N -4.91 -0.96 -4.63 2.11 4.77 -1.26 -5.16 117.00 106.96 1hr0 n LEU 90 Ca 0.05 0.23 -0.43 0.00 -0.03 0.00 0.00 56.01 55.84 1hr0 n LEU 90 Cb 0.56 1.19 -0.00 0.00 -2.33 0.00 0.00 43.42 42.84 1hr0 n LEU 90 CO 0.54 -0.34 0.69 -0.81 -1.33 0.00 0.00 177.39 176.14 1hr0 n PRO 91 N -2.77 1.61 -0.00 3.23 -0.04 -1.26 -4.98 135.00 130.79 1hr0 n PRO 91 Ca 0.00 0.57 0.09 0.00 -0.04 0.00 0.00 63.50 64.12 1hr0 n PRO 91 Cb 0.00 -2.07 -0.11 0.00 -0.04 0.00 0.00 33.50 31.28 1hr0 n PRO 91 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1hr0 n THR 92 N 0.04 0.00 -0.69 0.52 -1.04 -1.26 -4.48 114.28 107.36 1hr0 n THR 92 Ca 0.08 -0.10 0.07 0.00 -2.04 0.00 0.00 64.05 62.06 1hr0 n THR 92 Cb 0.36 0.88 0.19 0.00 -1.82 0.00 0.00 70.33 69.94 1hr0 n THR 92 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1hr0 n GLY 93 N 1.44 3.69 3.93 3.41 0.00 -1.26 -5.02 105.19 111.38 1hr0 n GLY 93 Ca 0.03 -0.78 -0.20 0.00 0.00 0.00 0.00 46.02 45.07 1hr0 n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hr0 s VAL 94 N -2.16 3.76 -0.29 1.61 1.01 -1.26 -4.31 120.40 118.77 1hr0 s VAL 94 Ca 0.32 -1.16 -0.01 0.00 0.00 0.00 0.00 61.98 61.13 1hr0 s VAL 94 Cb 0.24 -3.29 0.13 0.00 0.00 0.00 0.00 36.38 33.46 1hr0 s VAL 94 CO 0.09 -0.15 0.26 -0.70 0.00 0.00 0.00 175.10 174.60 1hr0 s GLU 95 N -4.11 0.29 0.64 2.72 -6.30 -1.07 -5.04 118.70 105.83 1hr0 s GLU 95 Ca 0.44 -0.21 -0.14 0.00 -2.50 0.00 0.00 54.97 52.57 1hr0 s GLU 95 Cb -0.08 -0.78 -0.01 0.00 0.00 0.00 0.00 34.13 33.26 1hr0 s GLU 95 CO 0.29 -1.01 1.06 0.42 0.02 0.00 0.00 175.26 176.04 1hr0 s ILE 96 N 2.31 3.86 -0.10 -3.70 1.01 -1.26 -3.06 121.20 120.25 1hr0 s ILE 96 Ca 0.09 0.76 -0.07 0.00 0.00 0.00 0.00 60.65 61.43 1hr0 s ILE 96 Cb -0.14 -3.36 0.04 0.00 0.01 0.00 0.00 42.46 39.01 1hr0 s ILE 96 CO -0.33 -0.64 0.26 -1.61 0.00 0.00 0.00 174.94 172.62 1hr0 s GLU 97 N -4.48 0.25 -0.11 2.79 0.41 -1.05 -4.98 118.70 111.52 1hr0 s GLU 97 Ca 0.61 0.48 -0.14 0.00 -0.41 0.00 0.00 54.97 55.52 1hr0 s GLU 97 Cb -0.15 -0.02 0.03 0.00 -1.78 0.00 0.00 34.13 32.21 1hr0 s GLU 97 CO 0.45 -0.12 0.37 0.42 -0.49 0.00 0.00 175.26 175.89 1hr0 s ILE 98 N 0.87 0.01 -0.26 -1.63 1.01 -1.25 0.67 121.20 120.62 1hr0 s ILE 98 Ca -0.06 -0.10 -0.04 0.00 0.00 0.00 0.00 60.65 60.45 1hr0 s ILE 98 Cb -0.07 -0.56 0.15 0.00 0.01 0.00 0.00 42.46 41.99 1hr0 s ILE 98 CO -0.06 -0.06 0.49 -0.54 0.00 0.00 0.00 174.94 174.78 1hr0 s LYS 99 N -0.15 0.44 0.00 2.79 1.02 0.64 -4.98 119.74 119.50 1hr0 s LYS 99 Ca -0.03 0.88 0.17 0.00 0.02 0.00 0.00 55.97 57.00 1hr0 s LYS 99 Cb -0.03 0.15 1.00 0.00 -0.52 0.00 0.00 37.83 38.43 1hr0 s LYS 99 CO 0.02 -0.52 1.41 2.41 -0.92 0.00 0.00 175.35 177.74