#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2omt h PRO -2 N 0.00 1.01 -0.76 1.61 0.11 -1.99 -1.80 132.00 130.18 2omt h PRO -2 Ca 0.00 -0.06 0.18 0.00 0.11 0.00 0.00 66.00 66.23 2omt h PRO -2 Cb 0.00 -0.23 -0.13 0.00 0.11 0.00 0.00 31.00 30.76 2omt h PRO -2 CO 0.00 0.67 0.09 1.25 -0.21 0.00 0.00 178.00 179.80 2omt h LEU -1 N 1.04 -0.18 0.00 2.35 5.85 -1.96 -3.42 115.31 118.99 2omt h LEU -1 Ca 0.48 0.18 0.00 0.00 0.84 0.00 0.00 57.88 59.38 2omt h LEU -1 Cb 0.40 0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.71 2omt h LEU -1 CO -0.24 -0.13 0.00 0.61 -0.34 0.00 0.00 178.44 178.34 2omt n GLY 0 N -1.39 2.79 1.90 3.75 0.00 -0.68 -0.41 105.19 111.15 2omt n GLY 0 Ca 0.15 -0.09 0.04 0.00 0.00 0.00 0.00 46.02 46.12 2omt n GLY 0 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2omt n SER 1 N 1.97 5.53 -4.77 1.61 7.64 -1.26 -5.00 113.62 119.34 2omt n SER 1 Ca 0.00 -3.00 -0.40 0.00 1.01 0.00 0.00 58.87 56.48 2omt n SER 1 Cb 0.00 -0.70 -0.01 0.00 -1.01 0.00 0.00 64.21 62.50 2omt n SER 1 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 2omt s TRP 2 N -2.83 2.82 -0.12 1.43 0.52 0.46 -0.44 118.94 120.78 2omt s TRP 2 Ca 0.55 1.39 -0.04 0.00 0.02 0.00 0.00 56.10 58.02 2omt s TRP 2 Cb 0.42 -3.70 0.06 0.00 -1.15 0.00 0.00 33.47 29.10 2omt s TRP 2 CO 0.15 -2.14 0.14 0.08 0.02 0.00 0.00 176.95 175.20 2omt s VAL 3 N -1.24 -0.20 -0.24 4.03 1.01 -1.16 -4.91 120.40 117.69 2omt s VAL 3 Ca 0.56 0.15 -0.13 0.00 0.00 0.00 0.00 61.98 62.56 2omt s VAL 3 Cb -0.39 -0.41 0.08 0.00 0.00 0.00 0.00 36.38 35.65 2omt s VAL 3 CO 0.50 -0.02 0.57 -0.63 0.00 0.00 0.00 175.10 175.52 2omt s ILE 4 N 2.24 -0.11 0.38 2.22 1.01 -1.26 -2.43 121.20 123.25 2omt s ILE 4 Ca 0.04 0.04 -0.15 0.00 0.00 0.00 0.00 60.65 60.58 2omt s ILE 4 Cb -0.14 -0.84 -0.08 0.00 0.01 0.00 0.00 42.46 41.41 2omt s ILE 4 CO -0.07 0.02 0.81 -2.84 0.00 0.00 0.00 174.94 172.85 2omt s PRO 5 N 1.69 3.97 0.55 2.79 0.02 -1.26 -5.08 135.00 137.69 2omt s PRO 5 Ca -0.09 0.72 -0.21 0.00 0.02 0.00 0.00 61.00 61.44 2omt s PRO 5 Cb -0.07 -2.34 -0.05 0.00 0.02 0.00 0.00 34.50 32.06 2omt s PRO 5 CO -0.17 0.03 1.35 -1.25 -0.33 0.00 0.00 177.00 176.62 2omt s PRO 6 N -3.37 3.11 -0.17 5.54 0.04 -1.26 -5.01 135.00 133.89 2omt s PRO 6 Ca 0.55 2.21 0.01 0.00 0.04 0.00 0.00 61.00 63.80 2omt s PRO 6 Cb -0.10 -2.23 0.03 0.00 0.04 0.00 0.00 34.50 32.24 2omt s PRO 6 CO 0.22 -1.21 -0.14 0.42 0.04 0.00 0.00 177.00 176.33 2omt s ILE 7 N -1.32 1.66 -0.12 0.56 1.01 -1.26 -5.03 121.20 116.71 2omt s ILE 7 Ca 0.72 -0.78 -0.05 0.00 0.00 0.00 0.00 60.65 60.55 2omt s ILE 7 Cb -0.40 -1.59 0.05 0.00 0.01 0.00 0.00 42.46 40.53 2omt s ILE 7 CO 0.47 0.39 0.25 -0.94 0.00 0.00 0.00 174.94 175.11 2omt s SER 8 N 1.43 -0.01 -0.14 3.58 1.04 -1.26 -1.86 113.70 116.49 2omt s SER 8 Ca 0.03 0.56 0.00 0.00 0.48 0.00 0.00 55.95 57.02 2omt s SER 8 Cb -0.14 0.53 -0.01 0.00 0.10 0.00 0.00 66.02 66.50 2omt s SER 8 CO -0.10 -0.20 -0.14 0.00 0.98 0.00 0.00 173.24 173.78 2omt n PRO 10 N 3.75 1.36 -1.59 0.00 -0.02 -1.26 -0.55 135.00 136.70 2omt n PRO 10 Ca -0.18 0.51 -0.31 0.00 -2.02 0.00 0.00 63.50 61.50 2omt n PRO 10 Cb 0.52 -2.39 0.06 0.00 -0.02 0.00 0.00 33.50 31.67 2omt n PRO 10 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 2omt s GLU 11 N -2.79 2.79 -1.48 -0.52 -1.05 -0.88 -4.13 118.70 110.63 2omt s GLU 11 Ca 0.73 0.87 -0.11 0.00 -0.15 0.00 0.00 54.97 56.31 2omt s GLU 11 Cb -0.43 -1.98 0.06 0.00 -0.44 0.00 0.00 34.13 31.34 2omt s GLU 11 CO 0.48 -1.18 0.89 0.09 0.95 0.00 0.00 175.26 176.50 2omt n ASN 12 N -3.17 -5.13 -4.73 0.83 3.02 -0.47 -4.49 115.26 101.12 2omt n ASN 12 Ca 0.07 -0.61 -0.32 0.00 -0.03 0.00 0.00 54.58 53.69 2omt n ASN 12 Cb 0.54 -4.10 0.10 0.00 -0.61 0.00 0.00 39.78 35.71 2omt n ASN 12 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2omt s GLU 13 N -6.36 2.06 0.29 3.52 0.41 -1.26 -5.00 118.70 112.36 2omt s GLU 13 Ca 0.57 1.49 -0.05 0.00 -0.41 0.00 0.00 54.97 56.57 2omt s GLU 13 Cb -0.28 -1.85 -0.05 0.00 -1.78 0.00 0.00 34.13 30.17 2omt s GLU 13 CO 0.70 -1.84 0.55 0.15 -0.49 0.00 0.00 175.26 174.33 2omt s LYS 14 N -4.36 3.63 0.62 1.61 1.02 -1.26 -4.67 119.74 116.34 2omt s LYS 14 Ca 0.68 0.01 -0.10 0.00 0.02 0.00 0.00 55.97 56.57 2omt s LYS 14 Cb -0.23 -2.64 0.16 0.00 -0.52 0.00 0.00 37.83 34.60 2omt s LYS 14 CO 0.50 0.21 0.44 0.41 -0.92 0.00 0.00 175.35 175.99 2omt n GLY 15 N -0.94 -3.29 3.81 -3.33 0.00 -1.26 -4.81 105.19 95.36 2omt n GLY 15 Ca -0.02 -1.35 -0.34 0.00 0.00 0.00 0.00 46.02 44.32 2omt n GLY 15 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2omt s PRO 16 N -4.03 4.03 0.16 1.61 0.04 -1.26 -5.14 135.00 130.41 2omt s PRO 16 Ca 0.31 1.24 0.03 0.00 0.04 0.00 0.00 61.00 62.62 2omt s PRO 16 Cb -0.04 -2.15 -0.04 0.00 0.04 0.00 0.00 34.50 32.31 2omt s PRO 16 CO 0.25 -0.21 0.26 -0.06 0.04 0.00 0.00 177.00 177.28 2omt s PHE 17 N -2.08 3.42 0.74 0.56 0.08 -1.26 -4.06 117.98 115.38 2omt s PHE 17 Ca 0.64 0.09 -0.12 0.00 0.12 0.00 0.00 56.93 57.65 2omt s PHE 17 Cb -0.13 -1.63 0.04 0.00 -0.57 0.00 0.00 43.02 40.73 2omt s PHE 17 CO 0.16 0.51 1.11 -2.14 -0.10 0.00 0.00 175.22 174.77 2omt s PRO 18 N -3.25 2.37 -0.12 0.24 0.02 -1.26 -5.07 135.00 127.93 2omt s PRO 18 Ca 0.34 1.32 0.03 0.00 0.02 0.00 0.00 61.00 62.70 2omt s PRO 18 Cb -0.11 -1.90 0.00 0.00 0.02 0.00 0.00 34.50 32.51 2omt s PRO 18 CO 0.28 -1.58 -0.21 0.21 -0.33 0.00 0.00 177.00 175.37 2omt s LYS 19 N -4.51 3.11 0.14 5.54 2.20 0.11 -4.94 119.74 121.39 2omt s LYS 19 Ca 0.65 -0.83 -0.33 0.00 -0.36 0.00 0.00 55.97 55.09 2omt s LYS 19 Cb -0.20 -2.42 -0.13 0.00 -1.51 0.00 0.00 37.83 33.57 2omt s LYS 19 CO 0.50 0.11 1.67 0.09 -0.36 0.00 0.00 175.35 177.36 2omt n ASN 20 N 3.73 3.41 -0.08 1.43 3.02 -1.26 -1.03 115.26 124.47 2omt n ASN 20 Ca -0.19 1.06 -0.07 0.00 -0.03 0.00 0.00 54.58 55.34 2omt n ASN 20 Cb 0.52 -1.46 -0.02 0.00 -0.61 0.00 0.00 39.78 38.21 2omt n ASN 20 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2omt n LEU 21 N 4.10 1.79 -3.98 3.41 4.77 0.21 -4.92 117.00 122.39 2omt n LEU 21 Ca 0.17 0.41 -0.09 0.00 -0.03 0.00 0.00 56.01 56.47 2omt n LEU 21 Cb 0.31 -0.77 -0.08 0.00 -2.33 0.00 0.00 43.42 40.56 2omt n LEU 21 CO 0.65 -0.34 -0.08 0.68 -1.33 0.00 0.00 177.39 176.96 2omt s VAL 22 N -2.60 0.08 -0.26 4.08 -7.23 -1.20 -5.03 120.40 108.25 2omt s VAL 22 Ca -0.23 -1.45 -0.11 0.00 -1.81 0.00 0.00 61.98 58.38 2omt s VAL 22 Cb 0.03 -1.81 -0.05 0.00 0.56 0.00 0.00 36.38 35.11 2omt s VAL 22 CO 0.34 -0.38 0.17 -1.58 -0.31 0.00 0.00 175.10 173.35 2omt s GLN 23 N -3.97 4.00 -0.07 4.82 0.74 -1.26 -0.92 119.66 123.01 2omt s GLN 23 Ca 0.17 -0.30 -0.24 0.00 0.05 0.00 0.00 55.36 55.04 2omt s GLN 23 Cb 0.04 -3.60 -0.04 0.00 1.10 0.00 0.00 33.01 30.52 2omt s GLN 23 CO -0.01 -0.06 0.73 0.42 -0.55 0.00 0.00 175.29 175.81 2omt s ILE 24 N 1.42 5.03 0.20 -2.34 -1.09 0.11 -4.77 121.20 119.75 2omt s ILE 24 Ca 0.07 1.50 0.06 0.00 -2.23 0.00 0.00 60.65 60.05 2omt s ILE 24 Cb -0.15 -4.06 -0.05 0.00 -1.58 0.00 0.00 42.46 36.62 2omt s ILE 24 CO 0.08 0.24 -0.10 -0.75 -1.23 0.00 0.00 174.94 173.17 2omt s LYS 25 N 0.87 1.27 -0.12 2.79 2.20 -1.02 -4.39 119.74 121.35 2omt s LYS 25 Ca 0.39 -1.58 0.03 0.00 -0.36 0.00 0.00 55.97 54.45 2omt s LYS 25 Cb -0.18 -0.89 0.00 0.00 -1.51 0.00 0.00 37.83 35.25 2omt s LYS 25 CO 0.19 0.09 -0.23 0.45 -0.36 0.00 0.00 175.35 175.49 2omt s SER 26 N -3.28 3.13 0.00 1.43 0.15 -1.26 -2.99 113.70 110.88 2omt s SER 26 Ca 0.22 -0.57 0.09 0.00 0.70 0.00 0.00 55.95 56.40 2omt s SER 26 Cb 0.02 -1.43 0.48 0.00 -1.71 0.00 0.00 66.02 63.37 2omt s SER 26 CO 0.06 0.13 1.18 0.59 1.20 0.00 0.00 173.24 176.40 2omt n ASN 27 N 3.72 0.00 0.01 5.45 3.02 0.41 -1.32 115.26 126.55 2omt n ASN 27 Ca -0.19 0.15 0.08 0.00 -0.03 0.00 0.00 54.58 54.59 2omt n ASN 27 Cb 0.52 -0.28 0.36 0.00 -0.61 0.00 0.00 39.78 39.77 2omt n ASN 27 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2omt n LYS 28 N -1.28 0.02 0.01 3.52 4.76 -1.26 -2.57 118.16 121.35 2omt n LYS 28 Ca 0.04 0.24 0.00 0.00 -2.87 0.00 0.00 58.31 55.73 2omt n LYS 28 Cb 0.07 -1.53 0.02 0.00 -1.84 0.00 0.00 35.03 31.76 2omt n LYS 28 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 2omt n ASP 29 N -1.56 0.02 0.09 4.39 5.68 -0.43 -1.22 116.55 123.52 2omt n ASP 29 Ca 0.04 0.39 0.13 0.00 -0.50 0.00 0.00 54.79 54.84 2omt n ASP 29 Cb 0.19 -0.39 0.40 0.00 -1.14 0.00 0.00 41.12 40.19 2omt n ASP 29 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2omt n LYS 30 N -1.41 0.24 0.00 0.11 4.76 -1.06 -3.43 118.16 117.36 2omt n LYS 30 Ca -0.00 0.18 0.11 0.00 -2.87 0.00 0.00 58.31 55.73 2omt n LYS 30 Cb 0.13 -1.76 -0.04 0.00 -1.84 0.00 0.00 35.03 31.52 2omt n LYS 30 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2omt n GLU 31 N -2.17 0.62 0.00 1.97 -0.58 -0.36 -5.08 120.64 115.04 2omt n GLU 31 Ca 0.05 -0.51 0.00 0.00 -0.42 0.00 0.00 57.16 56.29 2omt n GLU 31 Cb 0.42 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.80 2omt n GLU 31 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2omt n GLY 32 N 1.46 0.84 3.67 0.62 0.00 -1.22 -5.12 105.19 105.44 2omt n GLY 32 Ca 0.07 -1.47 -0.43 0.00 0.00 0.00 0.00 46.02 44.19 2omt n GLY 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2omt s LYS 33 N -1.77 4.33 -0.08 1.61 -0.14 -1.26 -4.08 119.74 118.36 2omt s LYS 33 Ca 0.00 1.45 -0.08 0.00 -1.36 0.00 0.00 55.97 55.98 2omt s LYS 33 Cb 0.00 -3.60 -0.04 0.00 -1.68 0.00 0.00 37.83 32.50 2omt s LYS 33 CO 0.00 -0.49 0.21 0.08 -0.76 0.00 0.00 175.35 174.39 2omt s VAL 34 N 2.62 5.38 -0.10 3.17 1.01 -1.26 -3.85 120.40 127.38 2omt s VAL 34 Ca 0.49 0.32 0.04 0.00 0.00 0.00 0.00 61.98 62.82 2omt s VAL 34 Cb -0.18 -3.49 -0.00 0.00 0.00 0.00 0.00 36.38 32.70 2omt s VAL 34 CO 0.14 0.57 -0.22 -0.36 0.00 0.00 0.00 175.10 175.23 2omt s PHE 35 N -1.08 2.59 -0.10 5.22 0.08 0.48 -4.82 117.98 120.34 2omt s PHE 35 Ca 0.19 -0.91 -0.02 0.00 0.12 0.00 0.00 56.93 56.30 2omt s PHE 35 Cb -0.13 -1.71 -0.03 0.00 -0.57 0.00 0.00 43.02 40.57 2omt s PHE 35 CO 0.08 -0.34 -0.01 0.71 -0.10 0.00 0.00 175.22 175.56 2omt s TYR 36 N 0.24 3.11 0.17 0.36 2.02 -0.65 -1.54 117.35 121.07 2omt s TYR 36 Ca -0.15 0.09 -0.06 0.00 -0.37 0.00 0.00 57.07 56.58 2omt s TYR 36 Cb -0.17 -1.82 -0.02 0.00 -0.40 0.00 0.00 41.96 39.55 2omt s TYR 36 CO 0.07 0.35 0.23 -1.54 -1.57 0.00 0.00 175.55 173.09 2omt s SER 37 N -0.60 0.11 0.03 2.29 1.04 -0.68 -4.14 113.70 111.74 2omt s SER 37 Ca 0.10 -1.05 0.01 0.00 0.48 0.00 0.00 55.95 55.49 2omt s SER 37 Cb -0.12 0.41 -0.02 0.00 0.10 0.00 0.00 66.02 66.39 2omt s SER 37 CO 0.02 -0.88 -0.05 0.27 0.98 0.00 0.00 173.24 173.58 2omt s ILE 38 N -4.03 0.35 0.10 -1.02 -4.36 -1.26 -0.29 121.20 110.69 2omt s ILE 38 Ca 0.23 -0.85 -0.01 0.00 -0.26 0.00 0.00 60.65 59.77 2omt s ILE 38 Cb 0.04 -0.43 -0.04 0.00 1.25 0.00 0.00 42.46 43.29 2omt s ILE 38 CO 0.04 -0.33 0.01 0.42 0.24 0.00 0.00 174.94 175.32 2omt s THR 39 N -1.15 0.23 0.00 8.37 -4.23 -0.66 -4.61 115.64 113.59 2omt s THR 39 Ca -0.10 -1.88 0.00 0.00 -1.18 0.00 0.00 61.69 58.54 2omt s THR 39 Cb -0.08 -1.81 0.00 0.00 1.34 0.00 0.00 72.50 71.95 2omt s THR 39 CO -0.00 -0.71 0.00 0.61 -0.54 0.00 0.00 174.62 173.97 2omt n GLY 40 N -0.02 2.08 3.72 3.99 0.00 -1.26 -1.05 105.19 112.65 2omt n GLY 40 Ca -0.10 -2.04 -0.42 0.00 0.00 0.00 0.00 46.02 43.47 2omt n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2omt s GLN 41 N -1.59 4.44 0.00 1.61 1.11 -1.23 -2.14 119.66 121.85 2omt s GLN 41 Ca 0.00 1.79 0.00 0.00 0.01 0.00 0.00 55.36 57.16 2omt s GLN 41 Cb 0.00 -3.33 0.00 0.00 -1.01 0.00 0.00 33.01 28.67 2omt s GLN 41 CO 0.00 -0.24 0.00 0.41 0.01 0.00 0.00 175.29 175.47 2omt n GLY 42 N 3.11 0.40 0.00 3.09 0.00 -0.63 -4.47 105.19 106.69 2omt n GLY 42 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2omt n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2omt n ALA 43 N -1.58 1.27 0.71 4.61 0.00 -1.02 -0.55 120.51 123.95 2omt n ALA 43 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 2omt n ALA 43 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 2omt n ALA 43 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2omt n ASP 44 N -0.27 0.68 -4.35 0.00 5.75 -0.91 -1.08 116.55 116.37 2omt n ASP 44 Ca 0.00 -0.57 -0.19 0.00 -0.01 0.00 0.00 54.79 54.02 2omt n ASP 44 Cb 0.00 1.08 -0.10 0.00 -1.03 0.00 0.00 41.12 41.07 2omt n ASP 44 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 2omt s THR 45 N -3.14 1.81 0.26 2.12 -4.23 -0.98 -4.89 115.64 106.58 2omt s THR 45 Ca 0.04 -2.19 -0.30 0.00 -1.18 0.00 0.00 61.69 58.06 2omt s THR 45 Cb 0.15 -2.03 -0.13 0.00 1.34 0.00 0.00 72.50 71.83 2omt s THR 45 CO 0.85 -0.54 1.34 -2.65 -0.54 0.00 0.00 174.62 173.08 2omt n PRO 46 N -0.31 1.97 -2.55 3.99 -0.02 -1.26 -1.61 135.00 135.22 2omt n PRO 46 Ca -0.08 0.70 -0.43 0.00 -2.02 0.00 0.00 63.50 61.67 2omt n PRO 46 Cb 0.60 -2.31 -0.02 0.00 -0.02 0.00 0.00 33.50 31.75 2omt n PRO 46 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2omt s PRO 47 N -0.83 4.17 -0.01 0.52 0.04 -1.26 -4.16 135.00 133.46 2omt s PRO 47 Ca 0.65 1.39 -0.30 0.00 0.04 0.00 0.00 61.00 62.77 2omt s PRO 47 Cb -0.64 -3.73 -0.04 0.00 0.04 0.00 0.00 34.50 30.13 2omt s PRO 47 CO 0.53 -0.77 1.24 0.14 0.04 0.00 0.00 177.00 178.19 2omt s VAL 48 N 3.53 4.08 0.00 -0.36 -7.23 -1.22 -2.78 120.40 116.42 2omt s VAL 48 Ca 0.49 1.45 0.00 0.00 -1.81 0.00 0.00 61.98 62.11 2omt s VAL 48 Cb -0.17 -3.93 0.00 0.00 0.56 0.00 0.00 36.38 32.84 2omt s VAL 48 CO 0.13 0.03 0.00 0.61 -0.31 0.00 0.00 175.10 175.55 2omt n GLY 49 N 3.38 0.65 0.23 2.32 0.00 -0.24 -4.88 105.19 106.65 2omt n GLY 49 Ca 0.11 -0.51 -0.00 0.00 0.00 0.00 0.00 46.02 45.61 2omt n GLY 49 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2omt h VAL 50 N 0.00 1.24 -4.36 1.61 2.07 -0.92 -3.42 116.25 112.47 2omt h VAL 50 Ca 0.00 -1.12 -0.70 0.00 0.82 0.00 0.00 66.70 65.70 2omt h VAL 50 Cb 0.00 1.37 -0.30 0.00 -1.52 0.00 0.00 31.29 30.84 2omt h VAL 50 CO 0.00 0.35 -0.88 -0.36 0.02 0.00 0.00 177.57 176.69 2omt s PHE 51 N -4.51 2.39 0.15 1.57 0.08 0.29 -1.41 117.98 116.54 2omt s PHE 51 Ca -0.06 -0.54 0.05 0.00 0.12 0.00 0.00 56.93 56.51 2omt s PHE 51 Cb 0.14 -1.54 -0.04 0.00 -0.57 0.00 0.00 43.02 41.01 2omt s PHE 51 CO 0.76 -0.10 -0.11 0.96 -0.10 0.00 0.00 175.22 176.62 2omt s ILE 52 N -0.44 1.28 -0.02 0.64 -4.36 -0.46 -4.48 121.20 113.36 2omt s ILE 52 Ca 0.05 -2.01 0.03 0.00 -0.26 0.00 0.00 60.65 58.45 2omt s ILE 52 Cb -0.11 -1.81 -0.00 0.00 1.25 0.00 0.00 42.46 41.79 2omt s ILE 52 CO 0.01 -0.66 -0.10 -0.51 0.24 0.00 0.00 174.94 173.92 2omt s ILE 53 N -3.05 0.81 -0.45 8.37 2.07 -1.26 -1.39 121.20 126.30 2omt s ILE 53 Ca 0.16 -0.41 -0.29 0.00 -1.41 0.00 0.00 60.65 58.71 2omt s ILE 53 Cb 0.01 -0.70 0.03 0.00 0.13 0.00 0.00 42.46 41.93 2omt s ILE 53 CO 0.02 0.24 1.11 -0.70 -1.91 0.00 0.00 174.94 173.70 2omt s GLU 54 N -0.02 3.76 0.21 3.50 2.12 0.26 -4.92 118.70 123.61 2omt s GLU 54 Ca 0.00 0.61 -0.14 0.00 0.36 0.00 0.00 54.97 55.81 2omt s GLU 54 Cb -0.06 -3.88 0.25 0.00 0.26 0.00 0.00 34.13 30.69 2omt s GLU 54 CO 0.00 -1.30 1.37 -2.13 -0.54 0.00 0.00 175.26 172.66 2omt n ARG 55 N 7.65 -0.18 0.16 4.30 0.63 -1.26 -0.00 116.66 127.95 2omt n ARG 55 Ca 0.12 1.36 0.09 0.00 -0.92 0.00 0.00 57.85 58.50 2omt n ARG 55 Cb 0.49 -2.02 0.08 0.00 0.45 0.00 0.00 32.46 31.45 2omt n ARG 55 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 2omt h GLU 56 N 0.00 0.00 0.00 -0.14 3.07 -1.88 -1.72 114.58 113.90 2omt h GLU 56 Ca 0.33 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.19 2omt h GLU 56 Cb 0.55 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.46 2omt h GLU 56 CO -0.88 0.11 -0.55 0.25 -1.40 0.00 0.00 179.01 176.54 2omt n THR 57 N -2.98 0.00 -1.02 1.13 -2.24 -1.07 -4.94 114.28 103.17 2omt n THR 57 Ca 0.01 -0.25 -0.01 0.00 -2.27 0.00 0.00 64.05 61.54 2omt n THR 57 Cb 0.60 0.74 -0.00 0.00 -2.10 0.00 0.00 70.33 69.56 2omt n THR 57 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2omt n GLY 58 N 1.74 0.47 3.65 3.38 0.00 1.00 -4.70 105.19 110.73 2omt n GLY 58 Ca -0.00 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 2omt n GLY 58 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2omt s TRP 59 N -1.93 1.89 -0.25 1.61 0.52 -1.25 0.08 118.94 119.61 2omt s TRP 59 Ca 0.00 0.17 -0.11 0.00 0.02 0.00 0.00 56.10 56.18 2omt s TRP 59 Cb 0.00 -3.96 -0.05 0.00 -1.15 0.00 0.00 33.47 28.31 2omt s TRP 59 CO 0.00 -3.95 0.18 -1.17 0.02 0.00 0.00 176.95 172.03 2omt s LEU 60 N 4.35 4.09 0.03 2.99 2.96 -0.10 -0.57 118.68 132.43 2omt s LEU 60 Ca 0.76 0.10 0.05 0.00 -0.22 0.00 0.00 54.13 54.82 2omt s LEU 60 Cb -0.33 -2.13 -0.02 0.00 0.50 0.00 0.00 46.19 44.21 2omt s LEU 60 CO 0.31 0.03 -0.16 -0.54 -1.32 0.00 0.00 176.35 174.67 2omt s LYS 61 N 1.25 1.14 -0.09 1.98 1.02 -0.49 0.67 119.74 125.22 2omt s LYS 61 Ca 0.08 -0.75 -0.09 0.00 0.02 0.00 0.00 55.97 55.23 2omt s LYS 61 Cb -0.14 -1.16 -0.05 0.00 -0.52 0.00 0.00 37.83 35.96 2omt s LYS 61 CO 0.06 0.30 0.22 0.54 -0.92 0.00 0.00 175.35 175.55 2omt s VAL 62 N -0.70 5.37 -2.17 3.17 0.11 -0.20 -1.35 120.40 124.63 2omt s VAL 62 Ca 0.04 0.39 0.19 0.00 -2.93 0.00 0.00 61.98 59.68 2omt s VAL 62 Cb -0.08 -3.49 0.29 0.00 -1.53 0.00 0.00 36.38 31.57 2omt s VAL 62 CO 0.01 0.60 1.24 0.35 -3.33 0.00 0.00 175.10 173.97 2omt n THR 63 N 2.03 0.36 -3.55 5.04 -2.24 -0.50 0.08 114.28 115.49 2omt n THR 63 Ca -0.18 -0.68 -0.07 0.00 -2.27 0.00 0.00 64.05 60.85 2omt n THR 63 Cb 0.54 1.08 -0.02 0.00 -2.10 0.00 0.00 70.33 69.84 2omt n THR 63 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2omt s GLU 64 N -1.41 0.83 0.62 -0.78 -1.05 -1.26 -4.75 118.70 110.90 2omt s GLU 64 Ca 0.29 -0.34 -0.17 0.00 -0.15 0.00 0.00 54.97 54.60 2omt s GLU 64 Cb 0.18 0.36 -0.02 0.00 -0.44 0.00 0.00 34.13 34.21 2omt s GLU 64 CO 0.26 -0.37 1.18 -2.14 0.95 0.00 0.00 175.26 175.14 2omt s PRO 65 N -3.08 2.83 0.33 -4.83 0.02 -1.26 -4.96 135.00 124.06 2omt s PRO 65 Ca 0.07 1.70 0.08 0.00 0.02 0.00 0.00 61.00 62.86 2omt s PRO 65 Cb -0.01 -1.93 -0.03 0.00 0.02 0.00 0.00 34.50 32.55 2omt s PRO 65 CO -0.07 -1.28 0.24 -0.51 -0.33 0.00 0.00 177.00 175.05 2omt s LEU 66 N -4.39 3.49 -0.02 -5.54 1.43 -1.26 -4.87 118.68 107.51 2omt s LEU 66 Ca 0.74 -0.58 0.00 0.00 -1.03 0.00 0.00 54.13 53.26 2omt s LEU 66 Cb -0.27 -2.06 0.03 0.00 0.03 0.00 0.00 46.19 43.92 2omt s LEU 66 CO 0.36 -0.33 0.01 -0.62 0.23 0.00 0.00 176.35 176.00 2omt s ASP 67 N -3.94 0.29 0.02 2.29 -1.08 -1.26 -1.37 116.67 111.61 2omt s ASP 67 Ca 0.40 -0.00 -0.02 0.00 -0.52 0.00 0.00 52.55 52.40 2omt s ASP 67 Cb -0.05 -0.16 -0.27 0.00 -1.46 0.00 0.00 42.92 40.98 2omt s ASP 67 CO 0.25 -0.10 0.91 -0.09 0.52 0.00 0.00 175.17 176.66 2omt h ARG 68 N 7.22 0.24 -0.43 4.34 2.43 -1.92 -2.82 114.38 123.43 2omt h ARG 68 Ca -0.43 -0.40 0.00 0.00 -0.81 0.00 0.00 59.98 58.33 2omt h ARG 68 Cb 1.13 0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.83 2omt h ARG 68 CO 0.48 1.11 0.00 0.39 -1.51 0.00 0.00 179.97 180.44 2omt n GLU 69 N -3.45 1.48 -0.01 0.20 4.71 -1.26 -2.98 120.64 119.33 2omt n GLU 69 Ca -0.15 -0.54 -0.02 0.00 -0.01 0.00 0.00 57.16 56.45 2omt n GLU 69 Cb 1.04 -1.31 -0.01 0.00 -1.01 0.00 0.00 31.44 30.16 2omt n GLU 69 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 2omt n ARG 70 N -0.01 0.09 -3.88 3.49 5.12 -1.12 -4.99 116.66 115.35 2omt n ARG 70 Ca 0.05 0.04 -0.27 0.00 -1.93 0.00 0.00 57.85 55.74 2omt n ARG 70 Cb 0.23 -0.58 -0.17 0.00 -1.16 0.00 0.00 32.46 30.78 2omt n ARG 70 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 2omt s ILE 71 N -1.38 0.94 -0.40 0.55 1.01 -1.08 -5.03 121.20 115.81 2omt s ILE 71 Ca -0.05 -0.29 0.23 0.00 0.00 0.00 0.00 60.65 60.54 2omt s ILE 71 Cb 0.01 -1.02 0.05 0.00 0.01 0.00 0.00 42.46 41.51 2omt s ILE 71 CO 0.08 0.31 1.20 0.00 0.00 0.00 0.00 174.94 176.52 2omt h ALA 72 N 8.19 0.58 -2.78 9.38 0.00 -1.78 -3.39 119.26 129.45 2omt h ALA 72 Ca -0.27 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.50 2omt h ALA 72 Cb 1.13 0.00 -0.26 0.00 0.00 0.00 0.00 17.79 18.66 2omt h ALA 72 CO 0.39 0.00 -0.31 0.99 0.00 0.00 0.00 179.25 180.31 2omt s THR 73 N -3.28 -0.02 -0.03 0.00 2.01 -1.26 -0.88 115.64 112.19 2omt s THR 73 Ca 0.03 0.06 0.06 0.00 0.31 0.00 0.00 61.69 62.15 2omt s THR 73 Cb 0.10 -0.54 -0.01 0.00 0.01 0.00 0.00 72.50 72.06 2omt s THR 73 CO 0.75 0.02 -0.21 -0.31 -0.69 0.00 0.00 174.62 174.19 2omt s TYR 74 N 0.87 1.98 -0.23 4.92 1.51 0.30 -4.99 117.35 121.71 2omt s TYR 74 Ca -0.05 -0.45 -0.03 0.00 -1.01 0.00 0.00 57.07 55.53 2omt s TYR 74 Cb -0.06 -1.29 0.01 0.00 -0.11 0.00 0.00 41.96 40.50 2omt s TYR 74 CO -0.07 -0.09 -0.06 0.99 -1.11 0.00 0.00 175.55 175.22 2omt s THR 75 N -0.36 3.12 0.47 -0.71 2.01 -1.26 -0.72 115.64 118.19 2omt s THR 75 Ca 0.04 -0.70 0.04 0.00 0.31 0.00 0.00 61.69 61.38 2omt s THR 75 Cb -0.10 -2.47 -0.04 0.00 0.01 0.00 0.00 72.50 69.91 2omt s THR 75 CO 0.00 0.36 0.03 -0.76 -0.69 0.00 0.00 174.62 173.56 2omt s LEU 76 N 1.42 2.56 -0.02 4.42 1.43 -1.12 -3.58 118.68 123.79 2omt s LEU 76 Ca 0.04 -1.51 0.02 0.00 -1.03 0.00 0.00 54.13 51.66 2omt s LEU 76 Cb -0.15 -0.85 0.00 0.00 0.03 0.00 0.00 46.19 45.22 2omt s LEU 76 CO -0.04 -0.70 -0.08 -0.36 0.23 0.00 0.00 176.35 175.39 2omt s PHE 77 N -2.80 0.84 0.28 0.29 0.40 -0.22 0.67 117.98 117.44 2omt s PHE 77 Ca 0.19 -0.19 -0.01 0.00 -0.60 0.00 0.00 56.93 56.33 2omt s PHE 77 Cb 0.05 -0.58 -0.04 0.00 0.51 0.00 0.00 43.02 42.95 2omt s PHE 77 CO 0.10 -0.06 0.49 -1.54 0.70 0.00 0.00 175.22 174.91 2omt s SER 78 N 0.06 6.36 -0.04 1.36 1.04 -0.37 -1.65 113.70 120.46 2omt s SER 78 Ca -0.01 0.48 -0.02 0.00 0.48 0.00 0.00 55.95 56.87 2omt s SER 78 Cb -0.06 -2.04 0.02 0.00 0.10 0.00 0.00 66.02 64.04 2omt s SER 78 CO 0.00 -0.19 0.10 -1.00 0.98 0.00 0.00 173.24 173.14 2omt s HIS 79 N -2.11 -0.10 -0.14 5.02 3.76 0.60 -2.43 115.29 119.88 2omt s HIS 79 Ca 0.40 0.31 0.00 0.00 -0.15 0.00 0.00 55.06 55.62 2omt s HIS 79 Cb -0.10 -0.05 0.02 0.00 1.11 0.00 0.00 32.58 33.56 2omt s HIS 79 CO 0.32 -0.10 -0.14 0.00 -0.85 0.00 0.00 174.74 173.98 2omt s ALA 80 N 0.61 1.81 0.33 -1.40 0.00 -1.26 -1.69 121.76 120.16 2omt s ALA 80 Ca -0.05 -0.86 0.10 0.00 0.00 0.00 0.00 51.96 51.15 2omt s ALA 80 Cb -0.06 -1.02 -0.06 0.00 0.00 0.00 0.00 23.12 21.98 2omt s ALA 80 CO -0.03 -0.35 -0.06 0.14 0.00 0.00 0.00 175.76 175.47 2omt s VAL 81 N 1.44 2.49 0.62 0.00 -7.23 -0.59 -0.14 120.40 117.00 2omt s VAL 81 Ca 0.04 -2.12 0.05 0.00 -1.81 0.00 0.00 61.98 58.14 2omt s VAL 81 Cb -0.13 -2.68 0.10 0.00 0.56 0.00 0.00 36.38 34.23 2omt s VAL 81 CO -0.09 -0.23 0.86 -0.94 -0.31 0.00 0.00 175.10 174.38 2omt s SER 82 N -3.64 4.84 0.41 4.85 1.04 0.17 -0.38 113.70 120.98 2omt s SER 82 Ca 0.33 -0.60 0.17 0.00 0.48 0.00 0.00 55.95 56.33 2omt s SER 82 Cb 0.00 0.07 1.07 0.00 0.10 0.00 0.00 66.02 67.26 2omt s SER 82 CO 0.18 -1.51 1.83 0.28 0.98 0.00 0.00 173.24 175.00 2omt h SER 83 N -0.08 0.44 0.21 7.02 0.02 -1.91 0.48 113.55 119.73 2omt h SER 83 Ca -0.33 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 2omt h SER 83 Cb 1.28 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.79 2omt h SER 83 CO 0.41 0.16 0.00 0.59 -1.14 0.00 0.00 176.83 176.85 2omt n ASN 84 N -4.54 0.00 0.00 3.07 3.02 -1.26 -4.86 115.26 110.69 2omt n ASN 84 Ca 0.21 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.76 2omt n ASN 84 Cb 0.73 -0.24 0.00 0.00 -0.61 0.00 0.00 39.78 39.66 2omt n ASN 84 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2omt n GLY 85 N -0.12 1.43 3.73 7.41 0.00 0.16 -5.04 105.19 112.75 2omt n GLY 85 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 2omt n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2omt s ASN 86 N -3.20 7.29 0.12 1.61 0.01 -1.25 -4.68 114.94 114.83 2omt s ASN 86 Ca 0.00 2.01 -0.31 0.00 -0.71 0.00 0.00 52.86 53.85 2omt s ASN 86 Cb 0.00 -2.60 -0.10 0.00 0.41 0.00 0.00 41.25 38.96 2omt s ASN 86 CO 0.00 -0.22 1.86 0.00 -1.51 0.00 0.00 177.10 177.23 2omt s ALA 87 N 0.02 3.75 -0.59 0.60 0.00 -1.26 -0.65 121.76 123.62 2omt s ALA 87 Ca 0.50 1.46 0.22 0.00 0.00 0.00 0.00 51.96 54.14 2omt s ALA 87 Cb -0.28 -3.78 -0.09 0.00 0.00 0.00 0.00 23.12 18.97 2omt s ALA 87 CO 0.33 -1.28 0.89 1.33 0.00 0.00 0.00 175.76 177.03 2omt n VAL 88 N 4.84 0.10 -4.13 0.00 0.24 0.80 -4.89 118.33 115.29 2omt n VAL 88 Ca 0.18 -0.23 -0.09 0.00 -2.04 0.00 0.00 64.34 62.16 2omt n VAL 88 Cb 0.38 0.36 -0.10 0.00 -1.47 0.00 0.00 33.84 33.01 2omt n VAL 88 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2omt s GLU 89 N -3.21 0.77 -0.01 7.34 0.41 -1.16 -4.88 118.70 117.96 2omt s GLU 89 Ca 0.02 -1.32 -0.29 0.00 -0.41 0.00 0.00 54.97 52.97 2omt s GLU 89 Cb 0.15 0.15 -0.03 0.00 -1.78 0.00 0.00 34.13 32.61 2omt s GLU 89 CO 0.84 -0.15 0.95 -0.51 -0.49 0.00 0.00 175.26 175.89 2omt s ASP 90 N -2.99 7.32 0.30 -0.19 1.01 -1.26 -4.52 116.67 116.34 2omt s ASP 90 Ca 0.14 1.60 -0.29 0.00 0.71 0.00 0.00 52.55 54.71 2omt s ASP 90 Cb 0.07 -2.55 -0.13 0.00 1.01 0.00 0.00 42.92 41.32 2omt s ASP 90 CO -0.05 -0.24 1.29 -2.65 0.21 0.00 0.00 175.17 173.73 2omt n PRO 91 N 3.88 1.98 -3.74 8.23 -0.01 -1.26 -4.93 135.00 139.15 2omt n PRO 91 Ca 0.05 0.70 -0.36 0.00 -0.01 0.00 0.00 63.50 63.88 2omt n PRO 91 Cb 0.51 -2.28 -0.09 0.00 -0.01 0.00 0.00 33.50 31.63 2omt n PRO 91 CO 0.00 0.00 0.00 1.41 -0.01 0.00 0.00 175.50 176.90 2omt s MET 92 N -1.29 4.09 0.02 -0.52 1.75 -1.02 -4.89 119.30 117.44 2omt s MET 92 Ca 0.61 -0.27 -0.30 0.00 -1.25 0.00 0.00 55.69 54.47 2omt s MET 92 Cb -0.62 -3.44 -0.05 0.00 2.84 0.00 0.00 34.83 33.57 2omt s MET 92 CO 0.57 0.17 1.16 -2.00 -0.65 0.00 0.00 175.02 174.28 2omt s GLU 93 N 0.71 4.43 -0.36 4.11 2.12 -1.26 -1.24 118.70 127.21 2omt s GLU 93 Ca 0.07 1.69 0.04 0.00 0.36 0.00 0.00 54.97 57.12 2omt s GLU 93 Cb -0.12 -3.42 0.10 0.00 0.26 0.00 0.00 34.13 30.95 2omt s GLU 93 CO 0.01 -0.27 0.08 0.96 -0.54 0.00 0.00 175.26 175.51 2omt s ILE 94 N 1.34 2.19 0.05 -3.70 -4.36 0.21 -4.96 121.20 111.96 2omt s ILE 94 Ca 0.57 -2.40 -0.30 0.00 -0.26 0.00 0.00 60.65 58.26 2omt s ILE 94 Cb -0.27 -2.61 -0.08 0.00 1.25 0.00 0.00 42.46 40.76 2omt s ILE 94 CO 0.27 -0.64 1.67 -0.22 0.24 0.00 0.00 174.94 176.27 2omt s LEU 95 N 0.80 4.36 -0.28 0.37 0.20 -1.26 -2.80 118.68 120.06 2omt s LEU 95 Ca 0.12 2.46 -0.04 0.00 0.69 0.00 0.00 54.13 57.36 2omt s LEU 95 Cb -0.20 -3.56 0.03 0.00 -0.43 0.00 0.00 46.19 42.03 2omt s LEU 95 CO -0.08 -0.90 0.01 -0.63 -0.29 0.00 0.00 176.35 174.46 2omt s ILE 96 N 2.95 3.29 -0.13 6.68 1.01 0.10 -3.99 121.20 131.11 2omt s ILE 96 Ca 0.75 -1.05 -0.17 0.00 0.00 0.00 0.00 60.65 60.18 2omt s ILE 96 Cb -0.39 -2.76 -0.04 0.00 0.01 0.00 0.00 42.46 39.28 2omt s ILE 96 CO 0.32 0.04 0.43 -0.89 0.00 0.00 0.00 174.94 174.85 2omt s THR 97 N 1.36 5.22 -0.15 2.92 2.01 -0.78 -0.53 115.64 125.69 2omt s THR 97 Ca -0.01 0.86 -0.19 0.00 0.31 0.00 0.00 61.69 62.66 2omt s THR 97 Cb -0.18 -3.77 -0.04 0.00 0.01 0.00 0.00 72.50 68.52 2omt s THR 97 CO -0.01 0.34 0.54 -0.69 -0.69 0.00 0.00 174.62 174.11 2omt s VAL 98 N 0.62 5.12 0.53 3.82 1.01 -0.05 -0.43 120.40 131.02 2omt s VAL 98 Ca 0.24 1.05 0.04 0.00 0.00 0.00 0.00 61.98 63.31 2omt s VAL 98 Cb -0.15 -3.87 0.04 0.00 0.00 0.00 0.00 36.38 32.41 2omt s VAL 98 CO 0.09 0.24 0.36 0.35 0.00 0.00 0.00 175.10 176.14 2omt n THR 99 N 4.08 0.00 -1.60 3.92 -2.24 0.29 -4.91 114.28 113.82 2omt n THR 99 Ca -0.05 -2.16 -0.53 0.00 -2.27 0.00 0.00 64.05 59.04 2omt n THR 99 Cb 0.51 0.02 -0.06 0.00 -2.10 0.00 0.00 70.33 68.69 2omt n THR 99 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2omt n ASP 100 N -1.78 1.63 0.00 3.42 8.00 -1.26 -2.08 116.55 124.48 2omt n ASP 100 Ca -0.04 1.12 0.00 0.00 0.71 0.00 0.00 54.79 56.58 2omt n ASP 100 Cb 0.62 -1.17 0.00 0.00 -0.02 0.00 0.00 41.12 40.54 2omt n ASP 100 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81