#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xmo n ILE 4 N 0.00 -0.08 -1.64 -0.18 5.41 -0.95 -4.70 119.36 117.23 1xmo n ILE 4 Ca 0.00 -1.95 -0.48 0.00 1.00 0.00 0.00 62.75 61.33 1xmo n ILE 4 Cb 0.00 1.04 -0.04 0.00 -0.71 0.00 0.00 39.64 39.93 1xmo n ILE 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1xmo n ARG 5 N 1.12 1.73 -3.56 0.38 1.74 -0.82 -3.81 116.66 113.44 1xmo n ARG 5 Ca 0.10 0.62 -0.20 0.00 -0.77 0.00 0.00 57.85 57.60 1xmo n ARG 5 Cb 0.64 -2.30 -0.15 0.00 -1.02 0.00 0.00 32.46 29.64 1xmo n ARG 5 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 1xmo s ILE 6 N 0.44 -0.25 -0.23 0.55 -4.36 -1.24 -2.41 121.20 113.70 1xmo s ILE 6 Ca 0.77 -0.03 -0.06 0.00 -0.26 0.00 0.00 60.65 61.07 1xmo s ILE 6 Cb -0.77 -0.57 -0.02 0.00 1.25 0.00 0.00 42.46 42.35 1xmo s ILE 6 CO 0.45 -0.15 0.03 -0.54 0.24 0.00 0.00 174.94 174.96 1xmo s LYS 7 N 2.27 3.61 -0.33 0.37 1.02 -0.61 -4.00 119.74 122.06 1xmo s LYS 7 Ca 0.05 -0.51 -0.07 0.00 0.02 0.00 0.00 55.97 55.46 1xmo s LYS 7 Cb -0.15 -3.20 0.03 0.00 -0.52 0.00 0.00 37.83 33.99 1xmo s LYS 7 CO -0.10 -0.12 0.11 -0.51 -0.92 0.00 0.00 175.35 173.80 1xmo s LEU 8 N 1.40 4.24 -0.57 3.17 1.43 -1.11 -0.30 118.68 126.94 1xmo s LEU 8 Ca 0.05 -1.02 -0.03 0.00 -1.03 0.00 0.00 54.13 52.10 1xmo s LEU 8 Cb -0.15 -1.89 0.15 0.00 0.03 0.00 0.00 46.19 44.33 1xmo s LEU 8 CO 0.02 -0.30 0.38 0.00 0.23 0.00 0.00 176.35 176.68 1xmo s ARG 9 N 1.44 2.44 0.27 1.70 1.70 -1.17 -2.34 118.95 122.98 1xmo s ARG 9 Ca -0.00 -2.31 0.08 0.00 -0.47 0.00 0.00 55.73 53.02 1xmo s ARG 9 Cb -0.19 -3.72 -0.04 0.00 -0.57 0.00 0.00 34.95 30.44 1xmo s ARG 9 CO 0.03 -1.15 0.15 0.20 -1.08 0.00 0.00 175.30 173.45 1xmo s GLY 10 N 1.10 1.52 0.14 3.88 0.00 -1.21 -3.57 107.32 109.19 1xmo s GLY 10 Ca 0.14 -1.52 0.02 0.00 0.00 0.00 0.00 44.72 43.36 1xmo s GLY 10 CO -0.04 -1.55 1.33 0.74 0.00 0.00 0.00 173.10 173.58 1xmo h PHE 11 N 1.58 0.30 -3.30 1.90 0.05 -1.84 -2.63 116.94 113.01 1xmo h PHE 11 Ca -0.47 -0.18 -0.56 0.00 3.82 0.00 0.00 57.97 60.58 1xmo h PHE 11 Cb 1.24 -0.03 -0.03 0.00 2.00 0.00 0.00 35.95 39.13 1xmo h PHE 11 CO 0.59 1.03 -0.21 0.34 -0.18 0.00 0.00 178.31 179.88 1xmo s ASP 12 N -6.94 6.57 -0.02 2.17 3.68 -1.26 -4.59 116.67 116.27 1xmo s ASP 12 Ca -0.03 0.77 0.17 0.00 2.13 0.00 0.00 52.55 55.60 1xmo s ASP 12 Cb 0.10 -2.17 -0.20 0.00 -1.45 0.00 0.00 42.92 39.20 1xmo s ASP 12 CO 0.84 0.00 0.59 0.00 0.13 0.00 0.00 175.17 176.73 1xmo n HIS 13 N 0.05 0.65 0.13 -5.34 1.44 -1.26 -4.07 115.22 106.82 1xmo n HIS 13 Ca -0.01 0.22 0.02 0.00 -2.01 0.00 0.00 57.72 55.93 1xmo n HIS 13 Cb 0.52 -1.01 0.01 0.00 0.12 0.00 0.00 29.99 29.63 1xmo n HIS 13 CO 0.00 0.00 0.00 0.87 -2.81 0.00 0.00 176.34 174.40 1xmo h LYS 14 N 0.00 0.00 -0.04 -1.40 1.57 -1.99 -2.58 116.57 112.13 1xmo h LYS 14 Ca -0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 1xmo h LYS 14 Cb 1.73 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.04 1xmo h LYS 14 CO 0.04 0.53 0.00 -2.37 -0.57 0.00 0.00 179.45 177.08 1xmo n THR 15 N -3.23 0.00 0.00 -0.16 5.66 -1.26 -3.17 114.28 112.12 1xmo n THR 15 Ca 0.02 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.02 1xmo n THR 15 Cb 0.75 -0.15 0.00 0.00 -1.55 0.00 0.00 70.33 69.38 1xmo n THR 15 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1xmo n LEU 16 N -0.47 0.00 -0.34 1.09 4.77 -1.14 -4.20 117.00 116.72 1xmo n LEU 16 Ca 0.00 0.00 0.28 0.00 -0.03 0.00 0.00 56.01 56.26 1xmo n LEU 16 Cb 0.01 0.00 0.45 0.00 -2.33 0.00 0.00 43.42 41.55 1xmo n LEU 16 CO 0.00 -0.35 0.82 0.47 -1.33 0.00 0.00 177.39 177.00 1xmo n ASP 17 N -2.04 0.10 -0.11 -1.43 8.00 -0.98 0.15 116.55 120.23 1xmo n ASP 17 Ca 0.00 0.81 -0.25 0.00 0.71 0.00 0.00 54.79 56.06 1xmo n ASP 17 Cb 0.00 -0.40 -0.11 0.00 -0.02 0.00 0.00 41.12 40.59 1xmo n ASP 17 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xmo n ALA 18 N -2.56 0.95 -0.92 2.24 0.00 -1.19 -3.32 120.51 115.71 1xmo n ALA 18 Ca 0.26 -0.73 -0.14 0.00 0.00 0.00 0.00 53.44 52.84 1xmo n ALA 18 Cb 1.07 -0.31 -0.02 0.00 0.00 0.00 0.00 19.45 20.20 1xmo n ALA 18 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1xmo n SER 19 N -4.30 6.04 0.00 0.00 7.64 0.40 -1.43 113.62 121.96 1xmo n SER 19 Ca -0.41 -2.85 0.00 0.00 1.01 0.00 0.00 58.87 56.62 1xmo n SER 19 Cb 0.78 -1.16 0.00 0.00 -1.01 0.00 0.00 64.21 62.82 1xmo n SER 19 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xmo n ALA 20 N 1.01 0.04 0.02 -0.43 0.00 0.13 -4.69 120.51 116.60 1xmo n ALA 20 Ca 0.28 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.72 1xmo n ALA 20 Cb 0.60 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.96 1xmo n ALA 20 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1xmo n GLN 21 N 0.00 0.63 -0.12 0.00 -0.06 -0.52 -3.76 117.38 113.55 1xmo n GLN 21 Ca 0.00 0.17 -0.09 0.00 -2.00 0.00 0.00 57.00 55.08 1xmo n GLN 21 Cb 0.20 -1.77 -0.01 0.00 -4.06 0.00 0.00 30.24 24.60 1xmo n GLN 21 CO 0.00 0.00 0.00 0.87 -0.20 0.00 0.00 177.06 177.73 1xmo h LYS 22 N 0.00 0.55 0.00 3.69 1.57 -1.86 -0.52 116.57 120.00 1xmo h LYS 22 Ca -0.17 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 1xmo h LYS 22 Cb 1.57 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.79 1xmo h LYS 22 CO 0.04 0.55 0.00 0.82 -0.57 0.00 0.00 179.45 180.29 1xmo h ILE 23 N 0.44 0.00 -0.27 1.86 5.03 -1.90 0.83 117.51 123.50 1xmo h ILE 23 Ca 0.12 -0.02 0.00 0.00 -0.12 0.00 0.00 64.86 64.84 1xmo h ILE 23 Cb 0.22 0.56 0.00 0.00 -3.03 0.00 0.00 36.82 34.57 1xmo h ILE 23 CO -0.01 0.00 0.00 0.52 -0.68 0.00 0.00 178.15 177.98 1xmo n VAL 24 N -2.33 1.03 0.05 1.67 0.31 -0.20 -4.19 118.33 114.67 1xmo n VAL 24 Ca -0.01 -0.57 0.00 0.00 -0.01 0.00 0.00 64.34 63.75 1xmo n VAL 24 Cb 0.05 -0.26 0.00 0.00 -0.91 0.00 0.00 33.84 32.72 1xmo n VAL 24 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1xmo n GLU 25 N 0.31 0.00 0.00 5.55 -0.58 0.67 -4.53 120.64 122.07 1xmo n GLU 25 Ca 0.12 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.86 1xmo n GLU 25 Cb 0.58 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.45 1xmo n GLU 25 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1xmo n ALA 26 N -2.75 1.66 -0.24 0.62 0.00 0.26 0.12 120.51 120.17 1xmo n ALA 26 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1xmo n ALA 26 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 1xmo n ALA 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xmo n ALA 27 N 0.87 0.00 -1.13 0.00 0.00 -1.26 -3.70 120.51 115.28 1xmo n ALA 27 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 1xmo n ALA 27 Cb 0.09 0.00 0.22 0.00 0.00 0.00 0.00 19.45 19.77 1xmo n ALA 27 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1xmo n ARG 28 N 0.00 2.36 0.00 0.00 0.63 0.32 -3.82 116.66 116.15 1xmo n ARG 28 Ca 0.00 -2.90 0.00 0.00 -0.92 0.00 0.00 57.85 54.03 1xmo n ARG 28 Cb 0.03 -1.78 0.00 0.00 0.45 0.00 0.00 32.46 31.16 1xmo n ARG 28 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1xmo n ARG 29 N -0.83 2.64 -0.02 -0.14 1.74 -0.92 -4.75 116.66 114.39 1xmo n ARG 29 Ca 0.24 0.00 0.01 0.00 -0.77 0.00 0.00 57.85 57.33 1xmo n ARG 29 Cb 0.89 -0.71 0.01 0.00 -1.02 0.00 0.00 32.46 31.63 1xmo n ARG 29 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1xmo n SER 30 N -0.92 1.67 0.00 0.55 3.41 -1.26 -5.09 113.62 111.97 1xmo n SER 30 Ca 0.00 -1.95 0.00 0.00 -0.26 0.00 0.00 58.87 56.66 1xmo n SER 30 Cb 0.00 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 63.90 1xmo n SER 30 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xmo n GLY 31 N -0.50 3.34 3.36 5.00 0.00 -1.25 -4.51 105.19 110.62 1xmo n GLY 31 Ca 0.02 -0.76 -0.38 0.00 0.00 0.00 0.00 46.02 44.90 1xmo n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xmo n ALA 32 N -3.00 -2.26 1.18 4.61 0.00 -1.26 -4.76 120.51 115.02 1xmo n ALA 32 Ca 0.00 -0.16 0.01 0.00 0.00 0.00 0.00 53.44 53.29 1xmo n ALA 32 Cb 0.00 -1.64 0.07 0.00 0.00 0.00 0.00 19.45 17.88 1xmo n ALA 32 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1xmo n GLN 33 N 0.46 0.59 -1.27 0.00 7.27 -1.26 -4.60 117.38 118.56 1xmo n GLN 33 Ca 0.09 0.00 0.16 0.00 0.07 0.00 0.00 57.00 57.32 1xmo n GLN 33 Cb 0.49 -1.06 -0.07 0.00 2.41 0.00 0.00 30.24 32.00 1xmo n GLN 33 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 1xmo n VAL 34 N -0.56 -0.30 -0.47 1.69 0.31 -1.26 -4.51 118.33 113.23 1xmo n VAL 34 Ca 0.02 0.58 0.07 0.00 -0.01 0.00 0.00 64.34 64.99 1xmo n VAL 34 Cb 0.01 -1.01 0.33 0.00 -0.91 0.00 0.00 33.84 32.26 1xmo n VAL 34 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1xmo n SER 35 N -4.09 4.64 -1.44 4.52 7.64 -0.66 -5.03 113.62 119.21 1xmo n SER 35 Ca -0.05 -2.61 0.18 0.00 1.01 0.00 0.00 58.87 57.39 1xmo n SER 35 Cb 0.60 -0.61 -0.08 0.00 -1.01 0.00 0.00 64.21 63.11 1xmo n SER 35 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xmo n GLY 36 N 0.75 -2.87 3.74 0.23 0.00 -1.23 -4.63 105.19 101.18 1xmo n GLY 36 Ca 0.23 -1.01 -0.41 0.00 0.00 0.00 0.00 46.02 44.82 1xmo n GLY 36 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xmo s PRO 37 N -3.77 4.31 -0.19 1.61 0.04 -1.26 -2.97 135.00 132.78 1xmo s PRO 37 Ca 0.00 2.21 -0.03 0.00 0.04 0.00 0.00 61.00 63.22 1xmo s PRO 37 Cb 0.00 -3.14 -0.01 0.00 0.04 0.00 0.00 34.50 31.39 1xmo s PRO 37 CO 0.00 -0.35 -0.06 0.42 0.04 0.00 0.00 177.00 177.05 1xmo s ILE 38 N 0.01 3.42 0.00 0.56 1.01 -1.26 -4.77 121.20 120.17 1xmo s ILE 38 Ca 0.58 -0.50 -0.01 0.00 0.00 0.00 0.00 60.65 60.73 1xmo s ILE 38 Cb -0.40 -2.52 -0.00 0.00 0.01 0.00 0.00 42.46 39.55 1xmo s ILE 38 CO 0.42 0.46 1.01 1.55 0.00 0.00 0.00 174.94 178.38 1xmo h PRO 39 N 7.55 -0.01 -2.98 2.79 0.13 -1.94 -1.17 132.00 136.37 1xmo h PRO 39 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1xmo h PRO 39 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1xmo h PRO 39 CO 0.60 -0.01 -0.62 1.28 -0.23 0.00 0.00 178.00 179.02 1xmo n LEU 40 N -2.66 -4.72 -4.55 1.56 4.77 -1.26 -3.64 117.00 106.50 1xmo n LEU 40 Ca -0.00 2.11 -0.44 0.00 -0.03 0.00 0.00 56.01 57.65 1xmo n LEU 40 Cb 0.01 -2.14 -0.01 0.00 -2.33 0.00 0.00 43.42 38.95 1xmo n LEU 40 CO 0.00 -0.88 0.44 -0.81 -1.33 0.00 0.00 177.39 174.81 1xmo n PRO 41 N 0.86 1.10 -2.99 3.23 -0.04 -1.26 -4.25 135.00 131.65 1xmo n PRO 41 Ca 0.00 0.39 -0.33 0.00 -0.04 0.00 0.00 63.50 63.52 1xmo n PRO 41 Cb 0.00 -1.72 -0.07 0.00 -0.04 0.00 0.00 33.50 31.67 1xmo n PRO 41 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1xmo s THR 42 N -1.12 4.54 -0.18 0.52 2.01 -1.26 -4.65 115.64 115.50 1xmo s THR 42 Ca 0.60 1.20 -0.02 0.00 0.31 0.00 0.00 61.69 63.78 1xmo s THR 42 Cb -0.70 -3.61 -0.01 0.00 0.01 0.00 0.00 72.50 68.19 1xmo s THR 42 CO 0.59 -0.25 -0.08 -0.13 -0.69 0.00 0.00 174.62 174.06 1xmo s ARG 43 N -3.07 3.41 0.02 4.92 0.52 -0.53 -4.97 118.95 119.25 1xmo s ARG 43 Ca 0.58 -0.64 0.05 0.00 -0.52 0.00 0.00 55.73 55.20 1xmo s ARG 43 Cb -0.10 -2.85 -0.03 0.00 0.52 0.00 0.00 34.95 32.49 1xmo s ARG 43 CO 0.15 0.01 -0.13 0.08 0.02 0.00 0.00 175.30 175.43 1xmo s VAL 44 N 0.92 3.16 -0.46 3.52 1.01 -1.26 -1.42 120.40 125.87 1xmo s VAL 44 Ca -0.01 -0.97 0.03 0.00 0.00 0.00 0.00 61.98 61.02 1xmo s VAL 44 Cb -0.15 -2.34 0.13 0.00 0.00 0.00 0.00 36.38 34.03 1xmo s VAL 44 CO 0.00 0.39 0.24 -0.13 0.00 0.00 0.00 175.10 175.60 1xmo s ARG 45 N -1.35 1.50 0.64 2.72 0.52 -1.19 -4.98 118.95 116.81 1xmo s ARG 45 Ca 0.15 -2.19 -0.17 0.00 -0.52 0.00 0.00 55.73 53.00 1xmo s ARG 45 Cb -0.11 -2.65 -0.01 0.00 0.52 0.00 0.00 34.95 32.70 1xmo s ARG 45 CO 0.06 -1.14 1.20 1.03 0.02 0.00 0.00 175.30 176.46 1xmo s ARG 46 N 0.16 2.73 -0.17 3.54 1.81 -1.26 -2.39 118.95 123.36 1xmo s ARG 46 Ca 0.17 1.76 -0.03 0.00 -1.72 0.00 0.00 55.73 55.92 1xmo s ARG 46 Cb -0.25 -1.91 0.05 0.00 -0.45 0.00 0.00 34.95 32.40 1xmo s ARG 46 CO 0.00 -1.38 0.03 -0.06 -0.68 0.00 0.00 175.30 173.21 1xmo s PHE 47 N -1.78 0.92 -0.36 -0.53 2.99 0.38 -4.91 117.98 114.69 1xmo s PHE 47 Ca 0.75 -0.71 -0.18 0.00 0.00 0.00 0.00 56.93 56.80 1xmo s PHE 47 Cb -0.29 -0.97 -0.00 0.00 0.00 0.00 0.00 43.02 41.76 1xmo s PHE 47 CO 0.37 -0.55 0.49 0.99 -0.00 0.00 0.00 175.22 176.51 1xmo s THR 48 N 1.89 5.04 -0.03 0.64 2.01 -1.26 -0.00 115.64 123.93 1xmo s THR 48 Ca 0.00 0.21 0.01 0.00 0.31 0.00 0.00 61.69 62.22 1xmo s THR 48 Cb -0.16 -3.96 0.03 0.00 0.01 0.00 0.00 72.50 68.42 1xmo s THR 48 CO -0.08 -0.23 -0.01 -0.69 -0.69 0.00 0.00 174.62 172.92 1xmo s VAL 49 N 2.33 0.25 -0.07 3.82 1.01 -0.88 -5.00 120.40 121.86 1xmo s VAL 49 Ca 0.17 0.05 -0.30 0.00 0.00 0.00 0.00 61.98 61.89 1xmo s VAL 49 Cb -0.16 -0.33 -0.08 0.00 0.00 0.00 0.00 36.38 35.81 1xmo s VAL 49 CO 0.13 0.16 2.04 -0.38 0.00 0.00 0.00 175.10 177.06 1xmo n ILE 50 N 4.13 0.60 0.15 2.22 5.41 -1.26 -0.28 119.36 130.33 1xmo n ILE 50 Ca -0.26 -0.23 -0.12 0.00 1.00 0.00 0.00 62.75 63.14 1xmo n ILE 50 Cb 0.50 -2.30 -0.07 0.00 -0.71 0.00 0.00 39.64 37.07 1xmo n ILE 50 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 1xmo h ARG 51 N 11.76 -0.58 -7.18 0.38 3.08 -1.86 -3.44 114.38 116.54 1xmo h ARG 51 Ca -0.46 0.04 -0.45 0.00 0.07 0.00 0.00 59.98 59.17 1xmo h ARG 51 Cb 1.25 0.13 0.21 0.00 0.08 0.00 0.00 29.97 31.64 1xmo h ARG 51 CO 0.95 -0.39 0.06 0.20 -1.07 0.00 0.00 179.97 179.72 1xmo s GLY 52 N -1.75 1.57 -0.06 0.04 0.00 -1.26 -4.92 107.32 100.94 1xmo s GLY 52 Ca -0.11 -0.01 0.20 0.00 0.00 0.00 0.00 44.72 44.81 1xmo s GLY 52 CO 0.40 0.65 1.59 -1.55 0.00 0.00 0.00 173.10 174.19 1xmo n PRO 53 N -4.76 3.26 -3.64 2.90 -0.04 -1.26 -4.92 135.00 126.53 1xmo n PRO 53 Ca 0.05 -2.77 -0.04 0.00 -0.04 0.00 0.00 63.50 60.69 1xmo n PRO 53 Cb 0.54 -1.75 -0.07 0.00 -0.04 0.00 0.00 33.50 32.18 1xmo n PRO 53 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1xmo s PHE 54 N -1.45 -0.52 0.00 0.54 5.36 -1.26 -5.13 117.98 115.51 1xmo s PHE 54 Ca 0.51 1.09 0.00 0.00 -0.96 0.00 0.00 56.93 57.56 1xmo s PHE 54 Cb 0.30 0.35 0.00 0.00 -0.34 0.00 0.00 43.02 43.33 1xmo s PHE 54 CO 0.29 -0.25 0.00 0.36 -1.46 0.00 0.00 175.22 174.16 1xmo n LYS 55 N 3.21 0.00 -2.39 10.12 2.85 -1.26 -4.86 118.16 125.84 1xmo n LYS 55 Ca -0.17 0.00 -0.19 0.00 -1.05 0.00 0.00 58.31 56.91 1xmo n LYS 55 Cb 0.57 0.00 -0.01 0.00 -0.65 0.00 0.00 35.03 34.94 1xmo n LYS 55 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1xmo n HIS 56 N 3.04 -1.07 -0.34 5.58 8.25 -1.26 -4.83 115.22 124.58 1xmo n HIS 56 Ca 0.00 0.00 0.28 0.00 -0.26 0.00 0.00 57.72 57.74 1xmo n HIS 56 Cb 0.00 -3.68 0.46 0.00 1.12 0.00 0.00 29.99 27.89 1xmo n HIS 56 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1xmo n LYS 57 N -2.95 -0.02 -1.80 -0.41 2.85 -1.26 -1.68 118.16 112.90 1xmo n LYS 57 Ca -0.22 0.79 -0.35 0.00 -1.05 0.00 0.00 58.31 57.48 1xmo n LYS 57 Cb 0.67 -1.61 0.05 0.00 -0.65 0.00 0.00 35.03 33.48 1xmo n LYS 57 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1xmo n ASP 58 N -3.82 7.02 -0.03 -5.58 8.00 -1.26 -4.60 116.55 116.27 1xmo n ASP 58 Ca 0.27 -3.80 -0.04 0.00 0.71 0.00 0.00 54.79 51.93 1xmo n ASP 58 Cb 1.09 -0.90 -0.01 0.00 -0.02 0.00 0.00 41.12 41.28 1xmo n ASP 58 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1xmo n SER 59 N -0.68 0.78 -0.99 -2.24 3.41 -0.68 -5.10 113.62 108.13 1xmo n SER 59 Ca 0.54 0.13 0.00 0.00 -0.26 0.00 0.00 58.87 59.29 1xmo n SER 59 Cb 0.50 -0.58 0.00 0.00 -0.26 0.00 0.00 64.21 63.86 1xmo n SER 59 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1xmo n ARG 60 N -3.29 0.00 -4.15 4.33 1.74 -1.26 -4.77 116.66 109.26 1xmo n ARG 60 Ca -0.06 0.00 -0.17 0.00 -0.77 0.00 0.00 57.85 56.85 1xmo n ARG 60 Cb 0.21 -0.49 -0.15 0.00 -1.02 0.00 0.00 32.46 31.00 1xmo n ARG 60 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1xmo s GLU 61 N -3.17 0.54 -0.12 5.56 2.12 0.62 -4.74 118.70 119.51 1xmo s GLU 61 Ca 0.00 -0.15 -0.07 0.00 0.36 0.00 0.00 54.97 55.12 1xmo s GLU 61 Cb 0.00 -0.55 -0.04 0.00 0.26 0.00 0.00 34.13 33.80 1xmo s GLU 61 CO 0.00 0.04 0.12 -1.01 -0.54 0.00 0.00 175.26 173.87 1xmo s HIS 62 N 0.28 3.52 -0.19 5.30 3.76 -1.26 -2.06 115.29 124.64 1xmo s HIS 62 Ca -0.03 0.46 0.00 0.00 -0.15 0.00 0.00 55.06 55.34 1xmo s HIS 62 Cb -0.07 -1.95 0.04 0.00 1.11 0.00 0.00 32.58 31.72 1xmo s HIS 62 CO -0.00 0.65 -0.08 -0.06 -0.85 0.00 0.00 174.74 174.40 1xmo s PHE 63 N -0.85 2.16 -0.22 1.40 2.99 1.00 -4.91 117.98 119.54 1xmo s PHE 63 Ca 0.14 -1.43 -0.03 0.00 0.00 0.00 0.00 56.93 55.61 1xmo s PHE 63 Cb -0.12 -1.52 -0.00 0.00 0.00 0.00 0.00 43.02 41.38 1xmo s PHE 63 CO 0.03 -0.70 -0.06 -1.83 -0.00 0.00 0.00 175.22 172.66 1xmo s GLU 64 N 1.48 3.32 -0.77 0.44 -1.05 -1.26 0.14 118.70 121.00 1xmo s GLU 64 Ca -0.01 -0.66 -0.18 0.00 -0.15 0.00 0.00 54.97 53.97 1xmo s GLU 64 Cb -0.16 -2.95 0.14 0.00 -0.44 0.00 0.00 34.13 30.71 1xmo s GLU 64 CO -0.08 -0.20 0.87 -1.17 0.95 0.00 0.00 175.26 175.63 1xmo s LEU 65 N 1.45 5.58 0.62 1.83 0.20 -1.01 -4.89 118.68 122.46 1xmo s LEU 65 Ca 0.06 -1.93 -0.15 0.00 0.69 0.00 0.00 54.13 52.79 1xmo s LEU 65 Cb -0.14 -2.32 -0.02 0.00 -0.43 0.00 0.00 46.19 43.28 1xmo s LEU 65 CO -0.05 -0.98 1.07 -0.13 -0.29 0.00 0.00 176.35 175.98 1xmo s ARG 66 N 2.12 3.13 -0.21 1.98 0.52 -1.26 -3.18 118.95 122.05 1xmo s ARG 66 Ca 0.21 1.24 -0.04 0.00 -0.52 0.00 0.00 55.73 56.61 1xmo s ARG 66 Cb -0.14 -2.01 0.08 0.00 0.52 0.00 0.00 34.95 33.41 1xmo s ARG 66 CO -0.03 -0.96 0.15 0.99 0.02 0.00 0.00 175.30 175.47 1xmo s THR 67 N -2.47 -0.17 0.47 0.02 2.01 -0.50 -4.68 115.64 110.32 1xmo s THR 67 Ca 0.64 -0.28 -0.03 0.00 0.31 0.00 0.00 61.69 62.33 1xmo s THR 67 Cb -0.17 -0.70 -0.02 0.00 0.01 0.00 0.00 72.50 71.62 1xmo s THR 67 CO 0.40 -0.35 0.74 -1.00 -0.69 0.00 0.00 174.62 173.72 1xmo s HIS 68 N 2.20 3.45 0.07 4.92 0.09 -0.99 -1.45 115.29 123.57 1xmo s HIS 68 Ca 0.05 0.61 0.01 0.00 -0.00 0.00 0.00 55.06 55.73 1xmo s HIS 68 Cb -0.16 -2.30 -0.04 0.00 -0.00 0.00 0.00 32.58 30.08 1xmo s HIS 68 CO -0.16 -0.31 -0.05 -0.80 -0.00 0.00 0.00 174.74 173.41 1xmo s ASN 69 N -4.15 0.79 0.25 1.40 0.01 -1.26 -3.32 114.94 108.67 1xmo s ASN 69 Ca 0.47 -0.87 -0.08 0.00 -0.71 0.00 0.00 52.86 51.67 1xmo s ASN 69 Cb -0.10 0.12 -0.01 0.00 0.41 0.00 0.00 41.25 41.67 1xmo s ASN 69 CO 0.42 -0.45 0.40 -0.13 -1.51 0.00 0.00 177.10 175.83 1xmo s ARG 70 N -3.22 1.54 0.00 -0.60 1.81 -0.99 -4.35 118.95 113.14 1xmo s ARG 70 Ca 0.04 -1.44 0.00 0.00 -1.72 0.00 0.00 55.73 52.61 1xmo s ARG 70 Cb 0.02 0.42 0.00 0.00 -0.45 0.00 0.00 34.95 34.94 1xmo s ARG 70 CO -0.05 -0.61 0.00 1.28 -0.68 0.00 0.00 175.30 175.23 1xmo n LEU 71 N -0.39 0.00 0.00 2.53 4.77 -0.44 -2.77 117.00 120.70 1xmo n LEU 71 Ca -0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1xmo n LEU 71 Cb 0.63 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.72 1xmo n LEU 71 CO 0.26 -0.02 0.00 0.52 -1.33 0.00 0.00 177.39 176.83 1xmo n VAL 72 N -1.05 0.00 -2.36 4.08 0.31 -1.16 -4.31 118.33 113.84 1xmo n VAL 72 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1xmo n VAL 72 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1xmo n VAL 72 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1xmo n ASP 73 N 4.05 -9.58 -4.16 4.52 2.03 -1.26 -1.65 116.55 110.50 1xmo n ASP 73 Ca 0.00 1.88 -0.29 0.00 0.52 0.00 0.00 54.79 56.89 1xmo n ASP 73 Cb 0.00 -5.24 -0.17 0.00 -0.72 0.00 0.00 41.12 35.00 1xmo n ASP 73 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1xmo s ILE 74 N -0.60 1.73 0.19 5.18 -4.36 -1.25 -1.83 121.20 120.26 1xmo s ILE 74 Ca 0.00 -0.84 -0.03 0.00 -0.26 0.00 0.00 60.65 59.52 1xmo s ILE 74 Cb 0.00 -1.51 0.04 0.00 1.25 0.00 0.00 42.46 42.24 1xmo s ILE 74 CO 0.00 0.49 0.26 -0.38 0.24 0.00 0.00 174.94 175.54 1xmo n ILE 75 N 3.49 0.00 -2.71 8.37 5.41 -1.26 -2.23 119.36 130.43 1xmo n ILE 75 Ca -0.20 -0.19 0.00 0.00 1.00 0.00 0.00 62.75 63.36 1xmo n ILE 75 Cb 0.53 -1.90 0.00 0.00 -0.71 0.00 0.00 39.64 37.56 1xmo n ILE 75 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 1xmo n ASN 76 N -3.16 -5.64 -4.60 4.38 6.94 -1.26 -4.37 115.26 107.55 1xmo n ASN 76 Ca 0.03 0.42 -0.43 0.00 -0.02 0.00 0.00 54.58 54.58 1xmo n ASN 76 Cb 0.11 -1.30 -0.02 0.00 -2.36 0.00 0.00 39.78 36.20 1xmo n ASN 76 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 1xmo s PRO 77 N -0.68 3.48 0.00 -0.53 0.04 -1.26 -4.77 135.00 131.28 1xmo s PRO 77 Ca 0.00 1.01 0.00 0.00 0.04 0.00 0.00 61.00 62.05 1xmo s PRO 77 Cb 0.00 -4.08 0.00 0.00 0.04 0.00 0.00 34.50 30.46 1xmo s PRO 77 CO 0.00 -1.69 0.00 0.09 0.04 0.00 0.00 177.00 175.44 1xmo n ASN 78 N 9.31 0.31 -0.03 6.66 3.02 -1.26 -5.06 115.26 128.22 1xmo n ASN 78 Ca 0.18 -0.62 -0.01 0.00 -0.03 0.00 0.00 54.58 54.10 1xmo n ASN 78 Cb 0.48 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.59 1xmo n ASN 78 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1xmo n ARG 79 N -0.52 2.08 -0.08 3.52 5.12 -1.26 -4.41 116.66 121.11 1xmo n ARG 79 Ca 0.00 -0.02 -0.20 0.00 -1.93 0.00 0.00 57.85 55.70 1xmo n ARG 79 Cb 0.00 -1.19 -0.13 0.00 -1.16 0.00 0.00 32.46 29.99 1xmo n ARG 79 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 1xmo n LYS 80 N -2.13 0.69 -0.27 5.56 3.00 -1.26 -2.69 118.16 121.07 1xmo n LYS 80 Ca -0.09 0.20 0.04 0.00 -0.00 0.00 0.00 58.31 58.46 1xmo n LYS 80 Cb 0.58 -1.60 0.26 0.00 0.00 0.00 0.00 35.03 34.27 1xmo n LYS 80 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 1xmo h THR 81 N 0.01 1.08 0.00 3.15 2.02 -1.84 0.48 112.91 117.81 1xmo h THR 81 Ca -0.52 -0.34 0.00 0.00 0.77 0.00 0.00 66.41 66.32 1xmo h THR 81 Cb 1.95 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.36 1xmo h THR 81 CO -0.02 0.18 -0.24 -0.38 0.37 0.00 0.00 175.52 175.43 1xmo n ILE 82 N -4.47 0.16 1.93 3.11 5.41 -1.26 -3.11 119.36 121.12 1xmo n ILE 82 Ca 0.12 -0.09 0.08 0.00 1.00 0.00 0.00 62.75 63.86 1xmo n ILE 82 Cb 0.17 -0.25 0.47 0.00 -0.71 0.00 0.00 39.64 39.32 1xmo n ILE 82 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1xmo n GLU 83 N -1.73 0.96 -0.05 0.38 2.13 0.17 -2.89 120.64 119.62 1xmo n GLU 83 Ca 0.06 0.00 -0.05 0.00 0.66 0.00 0.00 57.16 57.83 1xmo n GLU 83 Cb 0.37 -1.26 -0.07 0.00 0.27 0.00 0.00 31.44 30.76 1xmo n GLU 83 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 1xmo n GLN 84 N -0.76 2.08 0.00 5.31 6.02 -1.12 -4.97 117.38 123.94 1xmo n GLN 84 Ca 0.12 0.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.12 1xmo n GLN 84 Cb 0.05 -1.23 0.00 0.00 1.02 0.00 0.00 30.24 30.09 1xmo n GLN 84 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1xmo n LEU 85 N -2.43 0.00 0.00 1.08 4.77 -1.14 -4.53 117.00 114.75 1xmo n LEU 85 Ca -0.16 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 1xmo n LEU 85 Cb 0.77 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.86 1xmo n LEU 85 CO 0.17 0.00 0.00 0.23 -1.33 0.00 0.00 177.39 176.46 1xmo n MET 86 N 0.00 0.00 -3.67 3.23 2.81 -1.26 -3.66 117.12 114.57 1xmo n MET 86 Ca 0.00 0.00 -0.29 0.00 -1.81 0.00 0.00 57.70 55.60 1xmo n MET 86 Cb 0.00 0.00 -0.13 0.00 -0.71 0.00 0.00 33.22 32.38 1xmo n MET 86 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 1xmo s THR 87 N 0.00 1.11 -0.32 2.03 2.01 -1.26 -5.00 115.64 114.21 1xmo s THR 87 Ca 0.00 -2.27 -0.09 0.00 0.31 0.00 0.00 61.69 59.64 1xmo s THR 87 Cb 0.00 -1.79 0.19 0.00 0.01 0.00 0.00 72.50 70.91 1xmo s THR 87 CO 0.00 -0.89 1.02 -0.76 -0.69 0.00 0.00 174.62 173.30 1xmo s LEU 88 N 0.63 -0.43 0.00 4.42 1.43 -1.24 -5.08 118.68 118.41 1xmo s LEU 88 Ca 0.17 -0.14 0.00 0.00 -1.03 0.00 0.00 54.13 53.13 1xmo s LEU 88 Cb -0.24 0.76 0.00 0.00 0.03 0.00 0.00 46.19 46.74 1xmo s LEU 88 CO -0.02 -0.06 0.00 -0.90 0.23 0.00 0.00 176.35 175.60 1xmo n ASP 89 N 4.15 0.00 0.00 2.29 5.75 -1.26 -4.97 116.55 122.51 1xmo n ASP 89 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.85 1xmo n ASP 89 Cb 0.61 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.70 1xmo n ASP 89 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1xmo n LEU 90 N 0.00 0.00 -4.75 -2.12 4.77 -1.26 -5.14 117.00 108.50 1xmo n LEU 90 Ca 0.00 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.58 1xmo n LEU 90 Cb 0.00 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.03 1xmo n LEU 90 CO 0.00 0.07 0.65 -2.16 -1.33 0.00 0.00 177.39 174.63 1xmo s PRO 91 N 0.00 4.84 -0.21 3.23 0.04 -1.26 -4.96 135.00 136.68 1xmo s PRO 91 Ca 0.00 1.48 -0.00 0.00 0.04 0.00 0.00 61.00 62.52 1xmo s PRO 91 Cb 0.00 -3.25 -0.13 0.00 0.04 0.00 0.00 34.50 31.16 1xmo s PRO 91 CO 0.00 0.50 -0.20 2.41 0.04 0.00 0.00 177.00 179.75 1xmo n THR 92 N 1.42 1.22 -2.69 1.26 -1.04 -1.26 -4.69 114.28 108.49 1xmo n THR 92 Ca -0.02 -0.44 -0.40 0.00 -2.04 0.00 0.00 64.05 61.15 1xmo n THR 92 Cb 0.47 -1.32 0.01 0.00 -1.82 0.00 0.00 70.33 67.67 1xmo n THR 92 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1xmo n GLY 93 N 2.37 6.04 2.93 3.41 0.00 -1.26 -4.96 105.19 113.72 1xmo n GLY 93 Ca -0.38 -2.61 -0.12 0.00 0.00 0.00 0.00 46.02 42.91 1xmo n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xmo s VAL 94 N -4.26 -0.00 0.25 1.61 1.01 -1.26 -4.10 120.40 113.64 1xmo s VAL 94 Ca 0.40 0.01 0.08 0.00 0.00 0.00 0.00 61.98 62.47 1xmo s VAL 94 Cb 0.19 -0.10 -0.04 0.00 0.00 0.00 0.00 36.38 36.43 1xmo s VAL 94 CO -0.12 0.00 0.08 -0.70 0.00 0.00 0.00 175.10 174.37 1xmo s GLU 95 N 0.10 2.57 0.10 2.72 2.12 -1.23 -5.02 118.70 120.07 1xmo s GLU 95 Ca -0.01 -1.22 0.07 0.00 0.36 0.00 0.00 54.97 54.18 1xmo s GLU 95 Cb -0.01 -2.36 -0.03 0.00 0.26 0.00 0.00 34.13 31.99 1xmo s GLU 95 CO -0.00 0.39 -0.18 0.42 -0.54 0.00 0.00 175.26 175.35 1xmo s ILE 96 N -2.16 1.53 -0.20 -3.70 1.01 -1.26 -3.05 121.20 113.37 1xmo s ILE 96 Ca 0.31 -1.54 0.01 0.00 0.00 0.00 0.00 60.65 59.43 1xmo s ILE 96 Cb -0.07 -1.46 0.04 0.00 0.01 0.00 0.00 42.46 40.98 1xmo s ILE 96 CO 0.22 -0.17 -0.08 -1.61 0.00 0.00 0.00 174.94 173.30 1xmo s GLU 97 N -2.04 1.84 -0.08 2.79 0.41 0.59 -4.95 118.70 117.27 1xmo s GLU 97 Ca 0.06 -0.80 0.01 0.00 -0.41 0.00 0.00 54.97 53.83 1xmo s GLU 97 Cb -0.09 -2.36 0.02 0.00 -1.78 0.00 0.00 34.13 29.92 1xmo s GLU 97 CO 0.04 -0.45 -0.09 0.96 -0.49 0.00 0.00 175.26 175.22 1xmo s ILE 98 N 1.45 0.97 -0.30 -1.63 -4.36 -1.26 -1.58 121.20 114.49 1xmo s ILE 98 Ca -0.02 -0.34 -0.18 0.00 -0.26 0.00 0.00 60.65 59.85 1xmo s ILE 98 Cb -0.16 -0.94 0.20 0.00 1.25 0.00 0.00 42.46 42.81 1xmo s ILE 98 CO -0.08 0.33 1.30 -0.75 0.24 0.00 0.00 174.94 175.98 1xmo s LYS 99 N 1.06 0.06 0.00 0.37 2.20 -1.01 -5.05 119.74 117.38 1xmo s LYS 99 Ca -0.07 0.10 0.12 0.00 -0.36 0.00 0.00 55.97 55.75 1xmo s LYS 99 Cb -0.14 0.02 0.09 0.00 -1.51 0.00 0.00 37.83 36.29 1xmo s LYS 99 CO -0.01 -0.01 0.87 2.41 -0.36 0.00 0.00 175.35 178.25