#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rod n ALA 2 N 0.00 0.28 -1.61 -1.46 0.00 -1.26 -5.01 120.51 111.46 1rod n ALA 2 Ca 0.00 -0.67 -0.45 0.00 0.00 0.00 0.00 53.44 52.32 1rod n ALA 2 Cb 0.00 0.16 -0.02 0.00 0.00 0.00 0.00 19.45 19.59 1rod n ALA 2 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1rod n LYS 3 N -1.48 1.47 -1.69 0.00 4.76 -1.26 -4.72 118.16 115.24 1rod n LYS 3 Ca 0.05 0.52 -0.59 0.00 -2.87 0.00 0.00 58.31 55.43 1rod n LYS 3 Cb 0.19 -1.96 -0.08 0.00 -1.84 0.00 0.00 35.03 31.35 1rod n LYS 3 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1rod n GLU 4 N 0.99 0.97 -0.10 1.97 1.02 -1.26 -4.89 120.64 119.34 1rod n GLU 4 Ca 0.10 0.35 -0.04 0.00 -0.02 0.00 0.00 57.16 57.55 1rod n GLU 4 Cb 0.31 -2.03 0.04 0.00 -0.02 0.00 0.00 31.44 29.74 1rod n GLU 4 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1rod n LEU 5 N 5.56 0.00 0.00 -4.62 4.77 -1.26 -5.00 117.00 116.46 1rod n LEU 5 Ca 0.29 -0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 1rod n LEU 5 Cb 0.10 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 1rod n LEU 5 CO 0.82 -1.56 0.00 0.54 -1.33 0.00 0.00 177.39 175.86 1rod n ARG 6 N -1.39 0.00 0.00 3.23 1.74 -1.26 -4.95 116.66 114.03 1rod n ARG 6 Ca 0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 1rod n ARG 6 Cb 0.08 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.52 1rod n ARG 6 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1rod n GLN 8 N -0.93 0.00 -4.37 0.00 1.13 -1.26 -4.87 117.38 107.07 1rod n GLN 8 Ca 0.00 0.14 -0.30 0.00 -1.94 0.00 0.00 57.00 54.90 1rod n GLN 8 Cb 0.00 -0.97 -0.12 0.00 0.11 0.00 0.00 30.24 29.26 1rod n GLN 8 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1rod n ILE 10 N 0.94 0.00 -3.86 0.00 2.08 -1.26 -5.02 119.36 112.24 1rod n ILE 10 Ca -0.16 -0.03 0.00 0.00 0.56 0.00 0.00 62.75 63.13 1rod n ILE 10 Cb 0.53 0.33 0.00 0.00 -0.75 0.00 0.00 39.64 39.75 1rod n ILE 10 CO 0.00 0.00 0.00 2.29 0.56 0.00 0.00 176.55 179.40 1rod n LYS 11 N -0.70 1.70 -1.72 0.38 2.85 -1.26 -3.89 118.16 115.51 1rod n LYS 11 Ca 0.00 0.00 -0.29 0.00 -1.05 0.00 0.00 58.31 56.97 1rod n LYS 11 Cb 0.00 0.00 0.14 0.00 -0.65 0.00 0.00 35.03 34.52 1rod n LYS 11 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 1rod s THR 12 N -1.01 1.97 0.00 0.58 -4.23 -1.25 -3.51 115.64 108.19 1rod s THR 12 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.51 1rod s THR 12 Cb 0.00 -2.88 0.00 0.00 1.34 0.00 0.00 72.50 70.96 1rod s THR 12 CO 0.00 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.08 1rod n TYR 13 N -3.67 -0.34 -0.17 3.99 4.11 -1.26 -4.82 117.16 115.00 1rod n TYR 13 Ca 0.09 0.00 0.07 0.00 -0.00 0.00 0.00 57.90 58.07 1rod n TYR 13 Cb 0.60 0.00 0.29 0.00 -0.00 0.00 0.00 39.34 40.23 1rod n TYR 13 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.86 175.73 1rod n SER 14 N 0.00 3.92 -3.35 9.48 3.41 -1.26 -4.69 113.62 121.13 1rod n SER 14 Ca 0.00 -2.37 -0.23 0.00 -0.26 0.00 0.00 58.87 56.01 1rod n SER 14 Cb 0.00 -0.52 -0.09 0.00 -0.26 0.00 0.00 64.21 63.34 1rod n SER 14 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1rod s LYS 15 N -1.81 0.73 0.62 4.33 1.02 -1.26 -5.12 119.74 118.25 1rod s LYS 15 Ca 0.41 -1.42 -0.18 0.00 0.02 0.00 0.00 55.97 54.80 1rod s LYS 15 Cb 0.26 -1.07 -0.05 0.00 -0.52 0.00 0.00 37.83 36.46 1rod s LYS 15 CO 0.19 -1.27 0.82 -0.35 -0.92 0.00 0.00 175.35 173.82 1rod n PRO 16 N 3.63 0.70 -3.84 -1.68 -0.04 -1.26 -4.99 135.00 127.53 1rod n PRO 16 Ca 0.18 0.28 -0.07 0.00 -0.04 0.00 0.00 63.50 63.85 1rod n PRO 16 Cb 0.44 -2.04 -0.00 0.00 -0.04 0.00 0.00 33.50 31.86 1rod n PRO 16 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1rod s PHE 17 N -1.63 -0.07 -0.28 0.54 -0.71 -1.26 -5.09 117.98 109.47 1rod s PHE 17 Ca 0.74 -0.45 -0.29 0.00 -1.04 0.00 0.00 56.93 55.89 1rod s PHE 17 Cb -0.41 0.75 -0.00 0.00 -1.21 0.00 0.00 43.02 42.15 1rod s PHE 17 CO 0.49 -1.32 1.32 -1.01 -1.34 0.00 0.00 175.22 173.36 1rod s HIS 18 N -3.29 2.66 -1.31 3.49 3.76 -1.26 -4.82 115.29 114.53 1rod s HIS 18 Ca 0.13 0.86 0.10 0.00 -0.15 0.00 0.00 55.06 56.00 1rod s HIS 18 Cb -0.05 -3.88 0.50 0.00 1.11 0.00 0.00 32.58 30.26 1rod s HIS 18 CO 0.08 -1.78 1.25 -0.35 -0.85 0.00 0.00 174.74 173.09 1rod n PRO 19 N 7.28 0.11 -0.16 8.40 -0.04 -1.26 -2.62 135.00 146.70 1rod n PRO 19 Ca 0.15 0.23 0.02 0.00 -0.04 0.00 0.00 63.50 63.86 1rod n PRO 19 Cb 0.46 -1.50 0.30 0.00 -0.04 0.00 0.00 33.50 32.73 1rod n PRO 19 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1rod h LYS 20 N 0.00 0.85 -0.97 0.54 6.56 -2.03 -0.76 116.57 120.75 1rod h LYS 20 Ca 0.00 -0.05 0.00 0.00 -1.06 0.00 0.00 60.65 59.54 1rod h LYS 20 Cb 0.12 -0.19 0.00 0.00 -0.57 0.00 0.00 32.23 31.59 1rod h LYS 20 CO 0.00 0.56 0.00 1.97 -2.06 0.00 0.00 179.45 179.92 1rod n PHE 21 N -4.44 0.03 -2.76 -1.35 -1.74 -1.08 -4.86 117.46 101.26 1rod n PHE 21 Ca 0.07 -0.01 -0.41 0.00 -0.56 0.00 0.00 57.45 56.54 1rod n PHE 21 Cb 0.06 -0.10 -0.04 0.00 1.52 0.00 0.00 39.48 40.92 1rod n PHE 21 CO 0.00 0.00 0.00 0.96 -0.56 0.00 0.00 176.76 177.16 1rod s ILE 22 N -1.04 4.59 0.05 1.97 -5.25 -0.29 -0.86 121.20 120.36 1rod s ILE 22 Ca 0.01 2.01 0.00 0.00 -0.99 0.00 0.00 60.65 61.68 1rod s ILE 22 Cb 0.01 -4.29 -0.26 0.00 2.95 0.00 0.00 42.46 40.87 1rod s ILE 22 CO 0.00 0.30 1.05 0.50 -1.79 0.00 0.00 174.94 175.00 1rod h LYS 23 N 5.78 0.17 -4.04 0.37 3.64 -1.31 -3.43 116.57 117.76 1rod h LYS 23 Ca -0.43 -0.29 -0.51 0.00 -1.27 0.00 0.00 60.65 58.15 1rod h LYS 23 Cb 1.21 0.11 -0.38 0.00 -0.41 0.00 0.00 32.23 32.76 1rod h LYS 23 CO 0.72 1.07 -0.79 -1.21 -2.27 0.00 0.00 179.45 176.97 1rod s GLU 24 N -2.65 1.23 -0.50 1.90 8.01 -1.11 -4.96 118.70 120.61 1rod s GLU 24 Ca -0.04 -0.25 -0.16 0.00 0.01 0.00 0.00 54.97 54.53 1rod s GLU 24 Cb 0.08 -1.59 0.09 0.00 -4.31 0.00 0.00 34.13 28.40 1rod s GLU 24 CO 0.85 -0.34 0.46 -1.17 0.01 0.00 0.00 175.26 175.07 1rod s LEU 25 N 1.76 5.66 -0.13 1.80 1.98 -1.26 0.30 118.68 128.79 1rod s LEU 25 Ca 0.04 -1.39 -0.08 0.00 -2.89 0.00 0.00 54.13 49.81 1rod s LEU 25 Cb -0.13 -2.23 -0.04 0.00 0.66 0.00 0.00 46.19 44.45 1rod s LEU 25 CO -0.07 -0.75 0.16 -0.60 -1.89 0.00 0.00 176.35 173.20 1rod s ARG 26 N 1.80 3.61 -0.24 1.98 3.52 -0.22 -4.82 118.95 124.58 1rod s ARG 26 Ca 0.05 -0.11 0.01 0.00 -0.13 0.00 0.00 55.73 55.56 1rod s ARG 26 Cb -0.25 -3.24 0.06 0.00 -1.56 0.00 0.00 34.95 29.97 1rod s ARG 26 CO 0.06 0.68 -0.05 0.08 -0.81 0.00 0.00 175.30 175.27 1rod s VAL 27 N -0.77 1.54 -1.23 7.11 1.01 -1.26 0.29 120.40 127.09 1rod s VAL 27 Ca 0.14 -1.27 -0.20 0.00 0.00 0.00 0.00 61.98 60.66 1rod s VAL 27 Cb -0.12 -1.82 0.03 0.00 0.00 0.00 0.00 36.38 34.46 1rod s VAL 27 CO 0.04 -0.13 1.77 0.27 0.00 0.00 0.00 175.10 177.04 1rod s ILE 28 N 1.38 3.94 -0.90 2.22 -4.36 0.27 -4.79 121.20 118.96 1rod s ILE 28 Ca -0.05 -1.52 -0.00 0.00 -0.26 0.00 0.00 60.65 58.83 1rod s ILE 28 Cb -0.19 -4.99 0.33 0.00 1.25 0.00 0.00 42.46 38.86 1rod s ILE 28 CO -0.07 -1.73 1.70 1.21 0.24 0.00 0.00 174.94 176.30 1rod n GLU 29 N 8.43 4.53 -0.00 0.37 2.13 -1.25 0.27 120.64 135.11 1rod n GLU 29 Ca 0.46 -4.48 0.00 0.00 0.66 0.00 0.00 57.16 53.81 1rod n GLU 29 Cb 0.47 -2.39 0.00 0.00 0.27 0.00 0.00 31.44 29.79 1rod n GLU 29 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1rod n SER 30 N -0.20 0.00 -3.58 4.31 2.88 -0.74 -4.89 113.62 111.40 1rod n SER 30 Ca 0.46 -0.09 0.00 0.00 -1.33 0.00 0.00 58.87 57.91 1rod n SER 30 Cb 0.29 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.75 1rod n SER 30 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1rod n GLY 31 N 5.00 -1.82 3.43 0.46 0.00 -1.26 -4.74 105.19 106.26 1rod n GLY 31 Ca 0.00 -1.28 -0.42 0.00 0.00 0.00 0.00 46.02 44.33 1rod n GLY 31 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1rod s PRO 32 N 0.00 2.95 0.00 1.61 0.04 -1.26 -4.70 135.00 133.64 1rod s PRO 32 Ca 0.00 -1.01 0.00 0.00 0.04 0.00 0.00 61.00 60.03 1rod s PRO 32 Cb 0.00 -3.85 0.00 0.00 0.04 0.00 0.00 34.50 30.69 1rod s PRO 32 CO 0.00 -0.70 0.00 -2.39 0.04 0.00 0.00 177.00 173.95 1rod n HIS 33 N 5.08 0.00 0.00 0.56 1.44 -1.26 -5.07 115.22 115.97 1rod n HIS 33 Ca -0.12 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.59 1rod n HIS 33 Cb 0.47 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.58 1rod n HIS 33 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1rod n ALA 35 N -0.15 0.00 -3.12 0.00 0.00 -1.26 -4.72 120.51 111.25 1rod n ALA 35 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 1rod n ALA 35 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 1rod n ALA 35 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1rod s ASN 36 N -2.06 4.66 0.00 0.00 0.01 -1.26 -4.82 114.94 111.47 1rod s ASN 36 Ca 0.00 -0.22 0.00 0.00 -0.71 0.00 0.00 52.86 51.93 1rod s ASN 36 Cb 0.00 -1.78 0.00 0.00 0.41 0.00 0.00 41.25 39.88 1rod s ASN 36 CO 0.00 0.09 0.00 1.07 -1.51 0.00 0.00 177.10 176.75 1rod n THR 37 N 4.08 0.00 -3.33 1.60 5.66 0.77 -1.80 114.28 121.26 1rod n THR 37 Ca -0.17 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.83 1rod n THR 37 Cb 0.52 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.30 1rod n THR 37 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1rod n GLU 38 N 0.00 2.91 -3.21 1.09 1.02 0.29 -4.73 120.64 118.01 1rod n GLU 38 Ca 0.00 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 56.96 1rod n GLU 38 Cb 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.56 1rod n GLU 38 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1rod s ILE 39 N 0.26 3.28 0.32 -3.67 1.01 -0.67 -0.56 121.20 121.17 1rod s ILE 39 Ca 0.00 -1.04 -0.19 0.00 0.00 0.00 0.00 60.65 59.42 1rod s ILE 39 Cb 0.00 -3.12 0.03 0.00 0.01 0.00 0.00 42.46 39.39 1rod s ILE 39 CO 0.00 -0.05 0.75 -0.63 0.00 0.00 0.00 174.94 175.01 1rod s ILE 40 N -2.31 0.00 0.18 2.92 1.01 0.84 -0.50 121.20 123.34 1rod s ILE 40 Ca 0.51 -0.99 -0.15 0.00 0.00 0.00 0.00 60.65 60.02 1rod s ILE 40 Cb -0.09 -2.33 0.06 0.00 0.01 0.00 0.00 42.46 40.10 1rod s ILE 40 CO 0.32 0.00 0.75 0.55 0.00 0.00 0.00 174.94 176.56 1rod n VAL 41 N -0.49 0.00 -3.38 2.92 3.14 -0.55 -1.05 118.33 118.92 1rod n VAL 41 Ca -0.06 -0.52 -0.25 0.00 -2.96 0.00 0.00 64.34 60.55 1rod n VAL 41 Cb 0.59 0.64 -0.10 0.00 -1.06 0.00 0.00 33.84 33.91 1rod n VAL 41 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 1rod s LYS 42 N -2.05 0.75 -0.31 1.45 1.02 0.86 -1.86 119.74 119.60 1rod s LYS 42 Ca 0.16 -1.62 -0.41 0.00 0.02 0.00 0.00 55.97 54.12 1rod s LYS 42 Cb -0.03 -1.22 -0.18 0.00 -0.52 0.00 0.00 37.83 35.88 1rod s LYS 42 CO 0.05 -1.30 1.31 1.28 -0.92 0.00 0.00 175.35 175.78 1rod n LEU 43 N 3.46 0.75 0.00 3.17 4.32 0.94 -1.07 117.00 128.56 1rod n LEU 43 Ca 0.21 1.08 0.00 0.00 -0.02 0.00 0.00 56.01 57.28 1rod n LEU 43 Cb 0.44 -0.82 0.00 0.00 -1.62 0.00 0.00 43.42 41.42 1rod n LEU 43 CO 0.10 -1.09 0.00 -0.24 -1.22 0.00 0.00 177.39 174.94 1rod n SER 44 N 2.92 0.00 -2.52 -1.43 2.88 -0.04 -2.34 113.62 113.09 1rod n SER 44 Ca 0.25 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.43 1rod n SER 44 Cb -0.01 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 63.51 1rod n SER 44 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1rod n ASP 45 N 0.00 7.56 0.05 -3.46 5.68 -1.26 -4.40 116.55 120.72 1rod n ASP 45 Ca 0.00 -3.80 0.00 0.00 -0.50 0.00 0.00 54.79 50.49 1rod n ASP 45 Cb 0.00 -0.99 0.00 0.00 -1.14 0.00 0.00 41.12 38.99 1rod n ASP 45 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1rod n GLY 46 N -0.78 -0.20 3.32 6.12 0.00 -1.07 -5.13 105.19 107.44 1rod n GLY 46 Ca 0.59 0.02 -0.20 0.00 0.00 0.00 0.00 46.02 46.43 1rod n GLY 46 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rod s ARG 47 N -2.00 1.24 -0.29 1.61 0.52 -0.99 -5.00 118.95 114.04 1rod s ARG 47 Ca 0.00 -1.43 -0.13 0.00 -0.52 0.00 0.00 55.73 53.65 1rod s ARG 47 Cb 0.00 -1.17 0.11 0.00 0.52 0.00 0.00 34.95 34.41 1rod s ARG 47 CO 0.00 0.22 0.69 -2.00 0.02 0.00 0.00 175.30 174.23 1rod s GLU 48 N -3.05 0.61 0.00 3.54 2.12 -1.26 0.32 118.70 120.98 1rod s GLU 48 Ca 0.16 1.31 0.00 0.00 0.36 0.00 0.00 54.97 56.81 1rod s GLU 48 Cb -0.04 0.54 0.00 0.00 0.26 0.00 0.00 34.13 34.89 1rod s GLU 48 CO 0.06 -0.17 0.00 -0.11 -0.54 0.00 0.00 175.26 174.50 1rod n LEU 49 N 4.92 0.00 0.00 2.70 7.94 -0.78 -4.87 117.00 126.92 1rod n LEU 49 Ca -0.15 0.00 -0.18 0.00 -1.11 0.00 0.00 56.01 54.57 1rod n LEU 49 Cb 0.53 0.00 0.13 0.00 0.53 0.00 0.00 43.42 44.61 1rod n LEU 49 CO -0.03 0.00 0.52 0.00 -1.11 0.00 0.00 177.39 176.77 1rod s LEU 51 N 0.00 -1.00 -0.50 0.00 2.96 0.35 -3.80 118.68 116.69 1rod s LEU 51 Ca 0.46 1.43 0.06 0.00 -0.22 0.00 0.00 54.13 55.85 1rod s LEU 51 Cb -0.02 2.22 0.21 0.00 0.50 0.00 0.00 46.19 49.10 1rod s LEU 51 CO 0.32 -0.21 0.81 -0.67 -1.32 0.00 0.00 176.35 175.28 1rod n ASP 52 N 5.04 -3.14 -2.73 3.68 -0.08 -1.25 -1.67 116.55 116.39 1rod n ASP 52 Ca -0.14 -2.84 0.00 0.00 -1.51 0.00 0.00 54.79 50.30 1rod n ASP 52 Cb 0.52 1.68 0.00 0.00 2.34 0.00 0.00 41.12 45.66 1rod n ASP 52 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1rod n PRO 53 N 2.58 -0.01 0.00 -0.67 -0.04 -1.26 -4.64 135.00 130.96 1rod n PRO 53 Ca 0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 1rod n PRO 53 Cb 0.59 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.05 1rod n PRO 53 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1rod n ALA 54 N -3.00 0.00 -3.68 0.55 0.00 -1.26 -4.10 120.51 109.02 1rod n ALA 54 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 1rod n ALA 54 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 1rod n ALA 54 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1rod n SER 55 N 0.00 3.84 -4.86 0.00 3.41 -1.26 -5.00 113.62 109.74 1rod n SER 55 Ca 0.00 -3.21 -0.30 0.00 -0.26 0.00 0.00 58.87 55.09 1rod n SER 55 Cb 0.00 -0.91 0.05 0.00 -0.26 0.00 0.00 64.21 63.09 1rod n SER 55 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1rod s PRO 56 N -1.62 2.78 0.19 4.33 0.04 -1.26 -4.84 135.00 134.62 1rod s PRO 56 Ca 0.28 0.54 -0.20 0.00 0.04 0.00 0.00 61.00 61.67 1rod s PRO 56 Cb -0.03 -2.00 0.14 0.00 0.04 0.00 0.00 34.50 32.64 1rod s PRO 56 CO -0.12 -1.11 1.60 0.82 0.04 0.00 0.00 177.00 178.23 1rod h ILE 57 N -0.71 0.22 -0.93 0.56 1.08 -1.97 0.11 117.51 115.87 1rod h ILE 57 Ca -0.45 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.08 1rod h ILE 57 Cb 1.25 0.22 -0.06 0.00 -3.07 0.00 0.00 36.82 35.16 1rod h ILE 57 CO 0.62 0.00 0.61 1.62 -0.69 0.00 0.00 178.15 180.31 1rod h VAL 58 N -0.15 1.08 0.00 1.67 3.04 -1.93 0.36 116.25 120.32 1rod h VAL 58 Ca 0.24 -0.37 -0.07 0.00 -1.01 0.00 0.00 66.70 65.49 1rod h VAL 58 Cb 0.53 -0.09 -0.01 0.00 -2.01 0.00 0.00 31.29 29.71 1rod h VAL 58 CO -0.65 0.20 -0.34 0.50 -1.01 0.00 0.00 177.57 176.27 1rod h LYS 59 N 1.07 0.00 0.00 4.17 3.64 -1.19 -2.21 116.57 122.06 1rod h LYS 59 Ca 0.40 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.77 1rod h LYS 59 Cb 0.18 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1rod h LYS 59 CO -0.15 0.34 -0.08 0.87 -2.27 0.00 0.00 179.45 178.16 1rod h LYS 60 N 0.00 0.00 0.07 1.90 1.57 0.13 -0.68 116.57 119.56 1rod h LYS 60 Ca -0.00 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.52 1rod h LYS 60 Cb 0.82 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.13 1rod h LYS 60 CO 0.04 0.06 -1.10 0.82 -0.57 0.00 0.00 179.45 178.71 1rod h ILE 61 N 0.00 1.43 0.00 1.86 5.03 -0.14 -2.02 117.51 123.67 1rod h ILE 61 Ca -0.00 -2.70 -0.21 0.00 -0.12 0.00 0.00 64.86 61.83 1rod h ILE 61 Cb 1.05 2.67 -0.03 0.00 -3.03 0.00 0.00 36.82 37.47 1rod h ILE 61 CO 0.01 0.80 -1.10 0.40 -0.68 0.00 0.00 178.15 177.58 1rod h ILE 62 N 0.17 1.34 -0.06 -0.67 1.08 -1.46 -3.25 117.51 114.64 1rod h ILE 62 Ca -0.11 -3.01 -0.10 0.00 -0.39 0.00 0.00 64.86 61.24 1rod h ILE 62 Cb 1.77 2.65 -0.01 0.00 -3.07 0.00 0.00 36.82 38.16 1rod h ILE 62 CO 0.19 0.76 -0.43 -0.33 -0.69 0.00 0.00 178.15 177.65 1rod h GLU 63 N 0.00 0.14 0.00 2.37 4.39 -1.10 -2.76 114.58 117.63 1rod h GLU 63 Ca -0.08 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.55 1rod h GLU 63 Cb 1.75 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.40 1rod h GLU 63 CO 0.10 0.55 0.00 1.63 -1.16 0.00 0.00 179.01 180.14 1rod n LYS 64 N -4.02 0.05 0.24 2.33 4.76 -0.76 -2.14 118.16 118.62 1rod n LYS 64 Ca -0.02 0.52 -0.13 0.00 -2.87 0.00 0.00 58.31 55.81 1rod n LYS 64 Cb 0.48 -1.66 -0.07 0.00 -1.84 0.00 0.00 35.03 31.94 1rod n LYS 64 CO 0.00 0.00 0.00 1.98 -1.37 0.00 0.00 177.40 178.01 1rod h MET 65 N 0.00 -0.62 0.65 1.97 4.05 -1.68 -1.16 114.93 118.13 1rod h MET 65 Ca 0.00 0.04 -0.03 0.00 -0.28 0.00 0.00 59.70 59.43 1rod h MET 65 Cb 0.04 0.14 0.00 0.00 -0.80 0.00 0.00 31.60 30.98 1rod h MET 65 CO 0.00 -0.33 -0.34 -0.07 0.23 0.00 0.00 176.91 176.40 1rod h LEU 66 N -1.03 -0.82 -0.52 3.39 4.07 -1.63 -1.77 115.31 117.00 1rod h LEU 66 Ca -0.07 0.04 0.10 0.00 0.08 0.00 0.00 57.88 58.03 1rod h LEU 66 Cb 0.59 0.22 -0.11 0.00 1.08 0.00 0.00 40.66 42.45 1rod h LEU 66 CO 0.11 -0.56 -0.24 0.78 -1.08 0.00 0.00 178.44 177.45 1rod h ASN 67 N -0.91 -0.83 0.41 -0.43 2.35 -1.54 0.58 115.58 115.21 1rod h ASN 67 Ca -0.08 0.19 -0.02 0.00 -0.55 0.00 0.00 56.30 55.83 1rod h ASN 67 Cb 0.71 0.45 -0.00 0.00 0.05 0.00 0.00 38.32 39.53 1rod h ASN 67 CO 0.12 -0.26 -0.12 -1.28 -1.65 0.00 0.00 177.43 174.25 1rod h SER 68 N -0.11 0.00 1.91 5.81 0.87 -1.12 0.03 113.55 120.94 1rod h SER 68 Ca 0.24 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.80 1rod h SER 68 Cb 0.49 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.45 1rod h SER 68 CO -0.60 0.12 -0.02 -0.78 -0.53 0.00 0.00 176.83 175.02 1rod h ASP 69 N 0.00 0.00 -0.60 6.23 3.58 0.87 -3.31 116.42 123.18 1rod h ASP 69 Ca -0.00 -0.00 -0.36 0.00 0.42 0.00 0.00 57.03 57.09 1rod h ASP 69 Cb 0.35 0.00 -0.13 0.00 1.72 0.00 0.00 39.33 41.27 1rod h ASP 69 CO 0.02 0.00 0.08 0.29 -2.88 0.00 0.00 179.24 176.74 1rod n LYS 70 N -2.99 2.19 0.00 0.28 5.02 0.10 -4.50 118.16 118.26 1rod n LYS 70 Ca 0.04 -1.74 0.06 0.00 -2.02 0.00 0.00 58.31 54.66 1rod n LYS 70 Cb 0.52 -2.04 0.32 0.00 -0.02 0.00 0.00 35.03 33.81 1rod n LYS 70 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1rod n SER 71 N 1.50 0.00 0.00 4.39 7.64 -1.25 -5.02 113.62 120.88 1rod n SER 71 Ca 0.45 0.17 0.00 0.00 1.01 0.00 0.00 58.87 60.49 1rod n SER 71 Cb 0.69 -0.32 0.00 0.00 -1.01 0.00 0.00 64.21 63.57 1rod n SER 71 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57