#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ncm n VAL 2 N 0.00 -0.21 -3.19 8.89 0.24 -1.26 -4.90 118.33 117.90 2ncm n VAL 2 Ca 0.00 -3.76 -0.00 0.00 -2.04 0.00 0.00 64.34 58.54 2ncm n VAL 2 Cb 0.00 -0.08 -0.01 0.00 -1.47 0.00 0.00 33.84 32.27 2ncm n VAL 2 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 2ncm s LEU 3 N -2.14 -1.44 0.13 1.34 2.96 -1.19 -3.80 118.68 114.54 2ncm s LEU 3 Ca 0.35 -0.89 0.11 0.00 -0.22 0.00 0.00 54.13 53.48 2ncm s LEU 3 Cb 0.31 1.88 -0.04 0.00 0.50 0.00 0.00 46.19 48.84 2ncm s LEU 3 CO -0.09 -0.17 -0.27 -1.58 -1.32 0.00 0.00 176.35 172.93 2ncm s GLN 4 N 1.76 1.42 -0.10 1.98 2.00 0.22 -4.77 119.66 122.17 2ncm s GLN 4 Ca 0.17 -1.35 -0.09 0.00 -2.00 0.00 0.00 55.36 52.10 2ncm s GLN 4 Cb -0.04 -1.91 0.03 0.00 0.80 0.00 0.00 33.01 31.89 2ncm s GLN 4 CO -0.07 0.45 0.27 0.08 -0.50 0.00 0.00 175.29 175.52 2ncm s VAL 5 N -1.08 -0.01 -0.23 1.34 1.01 -1.26 -1.81 120.40 118.37 2ncm s VAL 5 Ca 0.14 0.03 -0.11 0.00 0.00 0.00 0.00 61.98 62.04 2ncm s VAL 5 Cb -0.10 -0.38 0.08 0.00 0.00 0.00 0.00 36.38 35.98 2ncm s VAL 5 CO 0.06 0.01 0.53 -1.81 0.00 0.00 0.00 175.10 173.89 2ncm s ASP 6 N 0.35 -0.67 -0.01 3.32 1.01 -0.83 -4.74 116.67 115.10 2ncm s ASP 6 Ca -0.02 1.20 -0.20 0.00 0.71 0.00 0.00 52.55 54.24 2ncm s ASP 6 Cb -0.03 1.33 -0.05 0.00 1.01 0.00 0.00 42.92 45.18 2ncm s ASP 6 CO -0.01 -0.22 0.56 -0.63 0.21 0.00 0.00 175.17 175.08 2ncm s ILE 7 N 2.02 4.95 -0.08 0.77 1.01 -1.26 -1.89 121.20 126.72 2ncm s ILE 7 Ca -0.07 1.17 -0.01 0.00 0.00 0.00 0.00 60.65 61.73 2ncm s ILE 7 Cb -0.09 -3.89 0.03 0.00 0.01 0.00 0.00 42.46 38.51 2ncm s ILE 7 CO -0.16 0.43 -0.01 -0.69 0.00 0.00 0.00 174.94 174.51 2ncm s VAL 8 N -0.23 0.48 0.57 2.92 1.01 -0.68 -2.90 120.40 121.57 2ncm s VAL 8 Ca 0.29 0.05 -0.19 0.00 0.00 0.00 0.00 61.98 62.13 2ncm s VAL 8 Cb -0.18 -0.61 -0.04 0.00 0.00 0.00 0.00 36.38 35.55 2ncm s VAL 8 CO 0.16 0.27 1.20 -2.16 0.00 0.00 0.00 175.10 174.57 2ncm s PRO 9 N 1.86 3.12 0.11 2.72 0.04 -1.26 -1.39 135.00 140.20 2ncm s PRO 9 Ca 0.04 1.80 -0.12 0.00 0.04 0.00 0.00 61.00 62.76 2ncm s PRO 9 Cb -0.12 -1.99 -0.11 0.00 0.04 0.00 0.00 34.50 32.31 2ncm s PRO 9 CO -0.05 -1.09 1.38 0.66 0.04 0.00 0.00 177.00 177.94 2ncm h SER 10 N 1.06 0.94 -3.39 6.66 4.64 -1.90 -3.42 113.55 118.15 2ncm h SER 10 Ca -0.50 -0.55 -0.66 0.00 -0.47 0.00 0.00 61.79 59.61 2ncm h SER 10 Cb 1.29 -0.27 -0.28 0.00 -0.31 0.00 0.00 62.40 62.83 2ncm h SER 10 CO 0.56 1.32 -0.73 0.00 -0.87 0.00 0.00 176.83 177.12 2ncm s GLN 11 N -4.05 3.37 -0.92 4.77 -2.07 -1.26 -0.88 119.66 118.62 2ncm s GLN 11 Ca -0.11 -0.63 -0.02 0.00 -1.82 0.00 0.00 55.36 52.79 2ncm s GLN 11 Cb 0.09 -2.99 0.25 0.00 -1.09 0.00 0.00 33.01 29.28 2ncm s GLN 11 CO 0.89 -0.19 0.99 0.41 -1.32 0.00 0.00 175.29 176.07 2ncm n GLY 12 N 4.77 4.52 3.63 2.60 0.00 -0.73 -4.96 105.19 115.01 2ncm n GLY 12 Ca -0.18 -2.65 -0.43 0.00 0.00 0.00 0.00 46.02 42.76 2ncm n GLY 12 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ncm s GLU 13 N -1.93 3.97 0.09 1.61 2.02 -1.26 -1.56 118.70 121.64 2ncm s GLU 13 Ca 0.31 0.88 -0.03 0.00 0.02 0.00 0.00 54.97 56.15 2ncm s GLU 13 Cb -0.00 -3.77 -0.03 0.00 0.10 0.00 0.00 34.13 30.42 2ncm s GLU 13 CO -0.04 -0.96 0.06 0.42 0.02 0.00 0.00 175.26 174.76 2ncm s ILE 14 N 3.67 0.16 0.26 -1.63 1.09 -0.83 -4.96 121.20 118.95 2ncm s ILE 14 Ca 0.43 -1.71 -0.04 0.00 -1.10 0.00 0.00 60.65 58.23 2ncm s ILE 14 Cb -0.12 -1.69 -0.05 0.00 -1.06 0.00 0.00 42.46 39.55 2ncm s ILE 14 CO 0.18 -0.72 0.51 -0.94 -0.10 0.00 0.00 174.94 173.87 2ncm s SER 15 N -2.96 6.45 0.39 3.58 1.04 -1.26 -1.94 113.70 119.00 2ncm s SER 15 Ca 0.13 0.65 -0.27 0.00 0.48 0.00 0.00 55.95 56.94 2ncm s SER 15 Cb 0.07 -2.12 -0.10 0.00 0.10 0.00 0.00 66.02 63.97 2ncm s SER 15 CO -0.06 -0.14 1.40 -0.69 0.98 0.00 0.00 173.24 174.73 2ncm s VAL 16 N -1.99 2.32 0.00 5.02 1.01 -0.84 -2.05 120.40 123.87 2ncm s VAL 16 Ca 0.43 0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.71 2ncm s VAL 16 Cb -0.11 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 33.08 2ncm s VAL 16 CO 0.29 0.06 0.00 0.61 0.00 0.00 0.00 175.10 176.06 2ncm n GLY 17 N 0.60 1.87 3.90 4.51 0.00 -1.11 -4.93 105.19 110.04 2ncm n GLY 17 Ca 0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.82 2ncm n GLY 17 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ncm s GLU 18 N -0.59 3.21 0.50 1.61 0.41 -0.87 -4.70 118.70 118.27 2ncm s GLU 18 Ca 0.00 -0.88 0.02 0.00 -0.41 0.00 0.00 54.97 53.71 2ncm s GLU 18 Cb 0.00 -2.75 0.02 0.00 -1.78 0.00 0.00 34.13 29.62 2ncm s GLU 18 CO 0.00 0.43 0.71 -1.54 -0.49 0.00 0.00 175.26 174.37 2ncm s SER 19 N -3.85 5.48 -0.30 -0.19 1.04 -1.23 -2.26 113.70 112.38 2ncm s SER 19 Ca 0.33 -0.00 -0.11 0.00 0.48 0.00 0.00 55.95 56.66 2ncm s SER 19 Cb -0.09 -1.01 0.17 0.00 0.10 0.00 0.00 66.02 65.19 2ncm s SER 19 CO 0.27 -0.97 0.86 -1.59 0.98 0.00 0.00 173.24 172.80 2ncm s LYS 20 N -4.64 0.37 0.15 4.02 -2.85 -0.34 -4.96 119.74 111.49 2ncm s LYS 20 Ca 0.54 0.81 0.11 0.00 -1.00 0.00 0.00 55.97 56.44 2ncm s LYS 20 Cb -0.10 0.48 -0.04 0.00 -2.06 0.00 0.00 37.83 36.10 2ncm s LYS 20 CO 0.37 -0.26 -0.25 -0.59 0.10 0.00 0.00 175.35 174.73 2ncm s PHE 21 N 2.74 2.24 -0.09 1.78 -0.12 -1.26 -1.56 117.98 121.71 2ncm s PHE 21 Ca 0.03 -0.38 -0.00 0.00 -0.05 0.00 0.00 56.93 56.52 2ncm s PHE 21 Cb -0.10 -1.17 0.02 0.00 -0.63 0.00 0.00 43.02 41.14 2ncm s PHE 21 CO -0.17 0.39 -0.06 -0.06 -0.05 0.00 0.00 175.22 175.27 2ncm s PHE 22 N -1.34 1.15 -0.37 3.49 0.08 -0.85 -4.63 117.98 115.52 2ncm s PHE 22 Ca 0.16 -0.48 -0.29 0.00 0.12 0.00 0.00 56.93 56.44 2ncm s PHE 22 Cb -0.09 -1.01 0.02 0.00 -0.57 0.00 0.00 43.02 41.37 2ncm s PHE 22 CO 0.07 -0.39 1.11 -1.17 -0.10 0.00 0.00 175.22 174.74 2ncm s LEU 23 N 1.53 3.84 -0.55 -0.37 2.96 -0.48 -2.03 118.68 123.57 2ncm s LEU 23 Ca 0.00 0.88 -0.22 0.00 -0.22 0.00 0.00 54.13 54.58 2ncm s LEU 23 Cb -0.13 -3.55 0.06 0.00 0.50 0.00 0.00 46.19 43.07 2ncm s LEU 23 CO -0.05 -1.00 0.81 0.00 -1.32 0.00 0.00 176.35 174.79 2ncm s GLN 25 N 3.38 2.89 0.23 0.00 -0.21 -0.79 -2.00 119.66 123.14 2ncm s GLN 25 Ca 0.22 -0.78 0.00 0.00 0.02 0.00 0.00 55.36 54.83 2ncm s GLN 25 Cb -0.17 -2.61 -0.04 0.00 1.00 0.00 0.00 33.01 31.19 2ncm s GLN 25 CO 0.14 -0.34 0.15 0.14 -2.12 0.00 0.00 175.29 173.26 2ncm s VAL 26 N -2.52 0.04 -0.27 1.09 -7.23 -1.26 -1.96 120.40 108.29 2ncm s VAL 26 Ca 0.51 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.68 2ncm s VAL 26 Cb -0.10 -2.51 0.15 0.00 0.56 0.00 0.00 36.38 34.48 2ncm s VAL 26 CO 0.36 0.00 0.39 0.00 -0.31 0.00 0.00 175.10 175.54 2ncm s ALA 27 N -4.02 -1.15 0.00 1.32 0.00 -0.75 -4.93 121.76 112.24 2ncm s ALA 27 Ca 0.39 0.54 0.00 0.00 0.00 0.00 0.00 51.96 52.89 2ncm s ALA 27 Cb 0.06 -1.89 0.00 0.00 0.00 0.00 0.00 23.12 21.29 2ncm s ALA 27 CO 0.15 -1.52 0.00 0.41 0.00 0.00 0.00 175.76 174.79 2ncm n GLY 28 N 5.36 2.50 2.43 0.00 0.00 -1.26 -0.61 105.19 113.61 2ncm n GLY 28 Ca -0.01 0.11 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 2ncm n GLY 28 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2ncm n ASP 29 N 0.00 7.39 -2.63 1.61 5.68 -1.26 -4.83 116.55 122.51 2ncm n ASP 29 Ca 0.00 -3.65 -0.02 0.00 -0.50 0.00 0.00 54.79 50.62 2ncm n ASP 29 Cb 0.00 -1.04 0.02 0.00 -1.14 0.00 0.00 41.12 38.96 2ncm n ASP 29 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2ncm n ALA 30 N -0.49 -0.25 0.10 2.12 0.00 -1.25 -5.00 120.51 115.73 2ncm n ALA 30 Ca 0.55 -0.11 -0.06 0.00 0.00 0.00 0.00 53.44 53.82 2ncm n ALA 30 Cb 0.53 -0.01 -0.03 0.00 0.00 0.00 0.00 19.45 19.94 2ncm n ALA 30 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2ncm h LYS 31 N 0.00 -0.32 -6.17 0.00 1.79 -1.94 -3.47 116.57 106.46 2ncm h LYS 31 Ca -0.03 0.02 -0.56 0.00 -2.18 0.00 0.00 60.65 57.90 2ncm h LYS 31 Cb 0.09 0.07 -0.21 0.00 -1.58 0.00 0.00 32.23 30.60 2ncm h LYS 31 CO 0.02 -0.18 -0.82 -0.51 -1.08 0.00 0.00 179.45 176.88 2ncm s ASP 32 N -5.19 2.65 -0.46 0.86 1.01 -1.26 -5.00 116.67 109.27 2ncm s ASP 32 Ca -0.06 -0.74 0.03 0.00 0.71 0.00 0.00 52.55 52.49 2ncm s ASP 32 Cb 0.00 -0.15 0.16 0.00 1.01 0.00 0.00 42.92 43.94 2ncm s ASP 32 CO 0.18 0.05 0.32 -0.54 0.21 0.00 0.00 175.17 175.38 2ncm s LYS 33 N -2.15 1.23 0.54 8.23 -0.14 -1.26 -4.25 119.74 121.94 2ncm s LYS 33 Ca 0.09 -2.17 -0.15 0.00 -1.36 0.00 0.00 55.97 52.38 2ncm s LYS 33 Cb -0.09 -2.01 -0.07 0.00 -1.68 0.00 0.00 37.83 33.98 2ncm s LYS 33 CO 0.05 -1.28 1.00 0.34 -0.76 0.00 0.00 175.35 174.70 2ncm s ASP 34 N 0.04 6.52 0.09 2.83 2.15 -0.83 -4.77 116.67 122.69 2ncm s ASP 34 Ca 0.25 1.54 0.05 0.00 0.43 0.00 0.00 52.55 54.82 2ncm s ASP 34 Cb -0.10 -2.50 -0.03 0.00 -0.30 0.00 0.00 42.92 39.99 2ncm s ASP 34 CO -0.10 -0.66 -0.14 -0.63 -0.17 0.00 0.00 175.17 173.47 2ncm s ILE 35 N -2.74 1.17 0.09 4.11 1.09 -1.26 -1.96 121.20 121.69 2ncm s ILE 35 Ca 0.58 -1.48 -0.16 0.00 -1.10 0.00 0.00 60.65 58.49 2ncm s ILE 35 Cb -0.10 -1.26 0.03 0.00 -1.06 0.00 0.00 42.46 40.07 2ncm s ILE 35 CO 0.36 -0.33 0.38 -0.44 -0.10 0.00 0.00 174.94 174.82 2ncm s SER 36 N -2.06 -0.22 -0.09 3.58 0.01 0.16 -4.94 113.70 110.15 2ncm s SER 36 Ca 0.03 -0.22 -0.00 0.00 1.31 0.00 0.00 55.95 57.07 2ncm s SER 36 Cb -0.07 0.44 0.02 0.00 0.21 0.00 0.00 66.02 66.62 2ncm s SER 36 CO 0.02 -0.76 -0.05 0.26 0.41 0.00 0.00 173.24 173.12 2ncm s TRP 37 N -3.22 1.12 -0.25 2.43 0.52 -1.26 -1.24 118.94 117.04 2ncm s TRP 37 Ca -0.01 -0.47 0.02 0.00 0.02 0.00 0.00 56.10 55.67 2ncm s TRP 37 Cb 0.01 -1.00 0.05 0.00 -1.15 0.00 0.00 33.47 31.38 2ncm s TRP 37 CO -0.08 -0.39 -0.11 -0.06 0.02 0.00 0.00 176.95 176.33 2ncm s PHE 38 N 1.57 3.18 0.71 -1.98 0.40 -0.79 -2.09 117.98 118.99 2ncm s PHE 38 Ca 0.01 -2.13 -0.16 0.00 -0.60 0.00 0.00 56.93 54.05 2ncm s PHE 38 Cb -0.13 -1.95 0.01 0.00 0.51 0.00 0.00 43.02 41.46 2ncm s PHE 38 CO -0.05 -0.85 1.02 -1.13 0.70 0.00 0.00 175.22 174.91 2ncm n SER 39 N 4.49 0.72 0.00 1.36 3.41 -0.20 0.14 113.62 123.54 2ncm n SER 39 Ca -0.15 0.69 0.00 0.00 -0.26 0.00 0.00 58.87 59.14 2ncm n SER 39 Cb 0.44 -1.43 0.00 0.00 -0.26 0.00 0.00 64.21 62.96 2ncm n SER 39 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 2ncm n PRO 40 N -1.93 0.00 -1.56 4.33 -0.01 -1.22 -2.07 135.00 132.54 2ncm n PRO 40 Ca 0.13 0.40 -0.19 0.00 -0.01 0.00 0.00 63.50 63.83 2ncm n PRO 40 Cb 0.49 -0.70 0.08 0.00 -0.01 0.00 0.00 33.50 33.36 2ncm n PRO 40 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 175.50 173.78 2ncm n ASN 41 N -1.40 4.62 0.00 2.55 4.05 -1.26 -4.55 115.26 119.27 2ncm n ASN 41 Ca 0.00 -3.78 0.00 0.00 0.45 0.00 0.00 54.58 51.25 2ncm n ASN 41 Cb 0.00 -0.51 0.00 0.00 1.23 0.00 0.00 39.78 40.50 2ncm n ASN 41 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2ncm n GLY 42 N -0.86 0.38 6.81 8.20 0.00 -0.89 -5.14 105.19 113.69 2ncm n GLY 42 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.45 2ncm n GLY 42 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ncm n GLU 43 N -1.28 -0.04 -1.67 1.61 1.02 -0.88 -4.74 120.64 114.66 2ncm n GLU 43 Ca 0.00 0.03 -0.48 0.00 -0.02 0.00 0.00 57.16 56.69 2ncm n GLU 43 Cb 0.00 -0.05 -0.05 0.00 -0.02 0.00 0.00 31.44 31.32 2ncm n GLU 43 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2ncm n LYS 44 N -1.05 2.06 -3.18 3.49 4.81 -1.26 -1.03 118.16 122.00 2ncm n LYS 44 Ca 0.00 0.75 -0.26 0.00 -0.87 0.00 0.00 58.31 57.93 2ncm n LYS 44 Cb 0.01 -2.54 -0.02 0.00 0.02 0.00 0.00 35.03 32.50 2ncm n LYS 44 CO 0.00 0.00 0.00 -0.48 1.17 0.00 0.00 177.40 178.09 2ncm s LEU 45 N 2.30 3.94 0.42 3.14 0.05 -0.89 -4.89 118.68 122.76 2ncm s LEU 45 Ca 0.86 0.66 -0.23 0.00 0.05 0.00 0.00 54.13 55.47 2ncm s LEU 45 Cb -0.72 -3.53 -0.09 0.00 -2.05 0.00 0.00 46.19 39.81 2ncm s LEU 45 CO 0.45 -0.33 1.04 -0.44 -0.55 0.00 0.00 176.35 176.53 2ncm s SER 46 N -3.75 6.64 0.56 1.48 0.01 -1.26 -4.92 113.70 112.47 2ncm s SER 46 Ca 0.43 2.00 0.25 0.00 1.31 0.00 0.00 55.95 59.94 2ncm s SER 46 Cb -0.10 -2.58 1.58 0.00 0.21 0.00 0.00 66.02 65.13 2ncm s SER 46 CO 0.36 -0.57 2.15 -0.65 0.41 0.00 0.00 173.24 174.94 2ncm h PRO 47 N 2.22 0.00 -1.72 12.44 0.11 -1.92 -3.34 132.00 139.78 2ncm h PRO 47 Ca -0.49 0.00 -0.40 0.00 0.11 0.00 0.00 66.00 65.22 2ncm h PRO 47 Cb 1.22 0.00 -0.28 0.00 0.11 0.00 0.00 31.00 32.04 2ncm h PRO 47 CO 0.61 0.00 -0.77 0.27 -0.21 0.00 0.00 178.00 177.90 2ncm n ASN 48 N -4.08 -1.73 -0.01 -2.05 0.23 -1.26 -3.38 115.26 102.98 2ncm n ASN 48 Ca -0.00 -2.63 -0.01 0.00 -0.53 0.00 0.00 54.58 51.41 2ncm n ASN 48 Cb 0.21 0.45 -0.00 0.00 -2.08 0.00 0.00 39.78 38.35 2ncm n ASN 48 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2ncm n GLN 49 N 2.78 0.07 0.00 -3.83 10.64 -1.25 -5.08 117.38 120.71 2ncm n GLN 49 Ca 0.24 0.28 0.00 0.00 -1.83 0.00 0.00 57.00 55.69 2ncm n GLN 49 Cb 0.52 -0.88 0.00 0.00 -0.86 0.00 0.00 30.24 29.02 2ncm n GLN 49 CO 0.00 0.00 0.00 1.04 -1.83 0.00 0.00 177.06 176.27 2ncm n GLN 50 N -2.63 0.00 -0.11 2.61 6.02 -1.26 -5.01 117.38 117.00 2ncm n GLN 50 Ca -0.01 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.86 2ncm n GLN 50 Cb 0.04 0.00 -0.15 0.00 1.02 0.00 0.00 30.24 31.15 2ncm n GLN 50 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2ncm n ARG 51 N -1.11 0.68 -2.88 -1.09 1.74 -1.26 -4.84 116.66 107.90 2ncm n ARG 51 Ca 0.00 0.04 -0.43 0.00 -0.77 0.00 0.00 57.85 56.69 2ncm n ARG 51 Cb 0.00 -1.53 -0.04 0.00 -1.02 0.00 0.00 32.46 29.87 2ncm n ARG 51 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2ncm s ILE 52 N -2.50 4.37 -0.22 0.55 1.01 -1.26 -1.99 121.20 121.15 2ncm s ILE 52 Ca -0.17 -0.37 -0.06 0.00 0.00 0.00 0.00 60.65 60.05 2ncm s ILE 52 Cb 0.07 -4.66 -0.03 0.00 0.01 0.00 0.00 42.46 37.85 2ncm s ILE 52 CO 0.77 -1.41 0.03 -0.55 0.00 0.00 0.00 174.94 173.78 2ncm s SER 53 N 3.62 5.02 0.28 3.58 0.15 0.12 -4.25 113.70 122.22 2ncm s SER 53 Ca 0.22 -0.18 0.01 0.00 0.70 0.00 0.00 55.95 56.69 2ncm s SER 53 Cb -0.17 -1.88 -0.04 0.00 -1.71 0.00 0.00 66.02 62.23 2ncm s SER 53 CO 0.10 0.03 0.47 -0.69 1.20 0.00 0.00 173.24 174.36 2ncm s VAL 54 N 1.19 5.15 0.27 4.45 1.01 -1.22 -1.61 120.40 129.66 2ncm s VAL 54 Ca 0.04 -0.50 -0.10 0.00 0.00 0.00 0.00 61.98 61.43 2ncm s VAL 54 Cb -0.14 -3.82 -0.00 0.00 0.00 0.00 0.00 36.38 32.42 2ncm s VAL 54 CO 0.02 -0.40 0.47 0.68 0.00 0.00 0.00 175.10 175.88 2ncm s VAL 55 N -2.12 0.00 -0.10 2.92 -7.23 -0.68 -4.94 120.40 108.26 2ncm s VAL 55 Ca 0.39 -1.47 -0.03 0.00 -1.81 0.00 0.00 61.98 59.05 2ncm s VAL 55 Cb -0.10 -2.37 0.05 0.00 0.56 0.00 0.00 36.38 34.52 2ncm s VAL 55 CO 0.32 0.00 0.13 0.26 -0.31 0.00 0.00 175.10 175.51 2ncm s TRP 56 N -3.70 -0.07 0.00 2.82 0.51 -1.26 -1.89 118.94 115.34 2ncm s TRP 56 Ca 0.25 0.32 0.00 0.00 -2.12 0.00 0.00 56.10 54.55 2ncm s TRP 56 Cb -0.00 -0.40 0.00 0.00 -0.81 0.00 0.00 33.47 32.26 2ncm s TRP 56 CO 0.12 -0.34 0.00 0.27 -0.51 0.00 0.00 176.95 176.49 2ncm n ASN 57 N 5.31 0.00 -3.23 2.95 0.23 -0.80 -5.00 115.26 114.72 2ncm n ASN 57 Ca -0.05 0.00 -0.30 0.00 -0.53 0.00 0.00 54.58 53.70 2ncm n ASN 57 Cb 0.50 -0.02 0.29 0.00 -2.08 0.00 0.00 39.78 38.47 2ncm n ASN 57 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 2ncm n ASP 58 N -1.39 -4.17 0.00 0.53 8.00 -1.17 -4.86 116.55 113.50 2ncm n ASP 58 Ca 0.00 -0.86 0.12 0.00 0.71 0.00 0.00 54.79 54.76 2ncm n ASP 58 Cb 0.00 -0.99 0.55 0.00 -0.02 0.00 0.00 41.12 40.66 2ncm n ASP 58 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 2ncm h ASP 59 N -3.63 0.24 0.00 -2.24 3.58 -2.00 -3.33 116.42 109.05 2ncm h ASP 59 Ca -0.39 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.07 2ncm h ASP 59 Cb 1.30 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 42.31 2ncm h ASP 59 CO 0.23 0.15 -0.04 -0.90 -2.88 0.00 0.00 179.24 175.81 2ncm n ASP 60 N -4.46 0.18 -4.78 2.28 5.68 -1.26 -4.94 116.55 109.24 2ncm n ASP 60 Ca 0.07 -0.06 -0.39 0.00 -0.50 0.00 0.00 54.79 53.91 2ncm n ASP 60 Cb 0.33 0.15 -0.06 0.00 -1.14 0.00 0.00 41.12 40.40 2ncm n ASP 60 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 2ncm s SER 61 N -0.19 7.31 0.00 -1.12 0.15 -1.25 -4.82 113.70 113.79 2ncm s SER 61 Ca 0.00 1.55 0.00 0.00 0.70 0.00 0.00 55.95 58.20 2ncm s SER 61 Cb 0.00 -2.47 0.00 0.00 -1.71 0.00 0.00 66.02 61.84 2ncm s SER 61 CO 0.00 0.22 0.00 -1.20 1.20 0.00 0.00 173.24 173.46 2ncm n SER 62 N 1.67 1.40 -3.64 5.45 7.64 -0.85 -1.90 113.62 123.39 2ncm n SER 62 Ca -0.07 -0.94 -0.09 0.00 1.01 0.00 0.00 58.87 58.79 2ncm n SER 62 Cb 0.49 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.62 2ncm n SER 62 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2ncm s THR 63 N -1.19 0.00 -0.57 0.44 2.01 -0.79 -1.64 115.64 113.89 2ncm s THR 63 Ca 0.00 0.00 -0.16 0.00 0.31 0.00 0.00 61.69 61.84 2ncm s THR 63 Cb 0.00 -1.00 0.14 0.00 0.01 0.00 0.00 72.50 71.65 2ncm s THR 63 CO 0.00 0.00 0.53 -0.22 -0.69 0.00 0.00 174.62 174.24 2ncm s LEU 64 N 1.26 6.24 -0.10 4.42 0.20 -0.86 -1.68 118.68 128.15 2ncm s LEU 64 Ca -0.07 -1.87 -0.17 0.00 0.69 0.00 0.00 54.13 52.70 2ncm s LEU 64 Cb -0.05 -2.21 -0.04 0.00 -0.43 0.00 0.00 46.19 43.46 2ncm s LEU 64 CO -0.14 -0.83 0.45 -0.89 -0.29 0.00 0.00 176.35 174.65 2ncm s THR 65 N 1.47 5.17 -0.40 3.68 2.01 -0.63 -2.00 115.64 124.95 2ncm s THR 65 Ca 0.04 0.91 0.01 0.00 0.31 0.00 0.00 61.69 62.96 2ncm s THR 65 Cb -0.28 -3.79 0.12 0.00 0.01 0.00 0.00 72.50 68.56 2ncm s THR 65 CO 0.02 0.37 0.19 -0.63 -0.69 0.00 0.00 174.62 173.88 2ncm s ILE 66 N 0.37 1.27 0.00 1.82 1.01 -0.60 -0.70 121.20 124.37 2ncm s ILE 66 Ca 0.25 -2.21 0.00 0.00 0.00 0.00 0.00 60.65 58.69 2ncm s ILE 66 Cb -0.15 -1.91 0.00 0.00 0.01 0.00 0.00 42.46 40.41 2ncm s ILE 66 CO 0.10 -0.82 0.00 -1.22 0.00 0.00 0.00 174.94 173.00 2ncm n TYR 67 N 3.95 0.00 -1.53 3.97 4.01 -0.84 -1.20 117.16 125.51 2ncm n TYR 67 Ca 0.06 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.51 2ncm n TYR 67 Cb 0.37 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.29 2ncm n TYR 67 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2ncm n ASN 68 N 0.00 0.97 -4.81 7.72 4.05 -1.26 -3.58 115.26 118.35 2ncm n ASN 68 Ca 0.00 -0.62 -0.33 0.00 0.45 0.00 0.00 54.58 54.08 2ncm n ASN 68 Cb 0.00 -1.25 -0.00 0.00 1.23 0.00 0.00 39.78 39.76 2ncm n ASN 68 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2ncm s ALA 69 N 9.82 2.81 0.03 5.20 0.00 -0.96 -4.83 121.76 133.84 2ncm s ALA 69 Ca 1.12 0.39 -0.12 0.00 0.00 0.00 0.00 51.96 53.35 2ncm s ALA 69 Cb -0.54 -3.22 0.01 0.00 0.00 0.00 0.00 23.12 19.37 2ncm s ALA 69 CO 0.33 -0.66 0.25 0.54 0.00 0.00 0.00 175.76 176.22 2ncm s ASN 70 N -2.73 -0.06 0.59 0.00 2.20 -1.26 -2.73 114.94 110.95 2ncm s ASN 70 Ca 0.63 -0.24 0.29 0.00 -0.94 0.00 0.00 52.86 52.60 2ncm s ASN 70 Cb -0.15 0.32 1.51 0.00 -2.00 0.00 0.00 41.25 40.93 2ncm s ASN 70 CO 0.34 -0.56 1.95 0.16 -2.94 0.00 0.00 177.10 176.04 2ncm h ILE 71 N 3.43 0.40 -0.26 0.54 3.07 -1.94 0.79 117.51 123.53 2ncm h ILE 71 Ca -0.32 0.00 -0.18 0.00 1.55 0.00 0.00 64.86 65.91 2ncm h ILE 71 Cb 1.19 0.67 0.00 0.00 -0.27 0.00 0.00 36.82 38.42 2ncm h ILE 71 CO 0.46 0.00 -0.55 0.44 -1.05 0.00 0.00 178.15 177.45 2ncm h ASP 72 N 0.00 0.94 -0.13 2.16 3.32 -1.96 -3.08 116.42 117.66 2ncm h ASP 72 Ca 0.19 -0.54 -0.07 0.00 0.02 0.00 0.00 57.03 56.62 2ncm h ASP 72 Cb 1.02 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.28 2ncm h ASP 72 CO -0.00 1.31 -0.11 0.44 -1.72 0.00 0.00 179.24 179.15 2ncm h ASP 73 N 0.60 0.46 -1.05 6.45 5.19 -1.27 -3.43 116.42 123.38 2ncm h ASP 73 Ca 0.01 -0.11 -0.64 0.00 -0.62 0.00 0.00 57.03 55.66 2ncm h ASP 73 Cb 1.16 -0.12 -0.02 0.00 0.18 0.00 0.00 39.33 40.52 2ncm h ASP 73 CO 0.12 0.61 1.46 0.00 -3.12 0.00 0.00 179.24 178.31 2ncm n ALA 74 N -2.48 1.00 -4.03 3.45 0.00 -0.92 -4.84 120.51 112.68 2ncm n ALA 74 Ca 0.01 -0.15 0.05 0.00 0.00 0.00 0.00 53.44 53.34 2ncm n ALA 74 Cb 0.31 -2.58 0.01 0.00 0.00 0.00 0.00 19.45 17.19 2ncm n ALA 74 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2ncm s GLY 75 N 7.86 -0.21 -0.99 0.00 0.00 0.14 -4.89 107.32 109.22 2ncm s GLY 75 Ca 1.11 0.16 -0.22 0.00 0.00 0.00 0.00 44.72 45.76 2ncm s GLY 75 CO 0.47 6.76 1.38 -0.42 0.00 0.00 0.00 173.10 181.29 2ncm s ILE 76 N -2.00 4.09 1.21 0.90 -1.09 -1.26 -1.68 121.20 121.36 2ncm s ILE 76 Ca 0.32 -0.91 -0.18 0.00 -2.23 0.00 0.00 60.65 57.65 2ncm s ILE 76 Cb 0.00 -5.00 0.29 0.00 -1.58 0.00 0.00 42.46 36.17 2ncm s ILE 76 CO -0.03 -1.85 1.07 -0.31 -1.23 0.00 0.00 174.94 172.60 2ncm s TYR 77 N 4.51 0.63 0.08 3.97 1.51 -0.48 -3.38 117.35 124.19 2ncm s TYR 77 Ca 0.43 0.64 0.01 0.00 -1.01 0.00 0.00 57.07 57.14 2ncm s TYR 77 Cb -0.01 -3.30 -0.04 0.00 -0.11 0.00 0.00 41.96 38.50 2ncm s TYR 77 CO -0.09 -3.92 -0.06 0.21 -1.11 0.00 0.00 175.55 170.57 2ncm s LYS 78 N -5.20 0.76 -0.34 -0.62 2.20 0.12 -2.19 119.74 114.48 2ncm s LYS 78 Ca 0.69 -1.26 -0.01 0.00 -0.36 0.00 0.00 55.97 55.04 2ncm s LYS 78 Cb -0.13 -0.14 0.13 0.00 -1.51 0.00 0.00 37.83 36.18 2ncm s LYS 78 CO 0.57 -0.03 0.20 0.00 -0.36 0.00 0.00 175.35 175.73 2ncm s VAL 80 N 1.35 5.30 0.25 0.00 1.01 -0.38 -0.43 120.40 127.51 2ncm s VAL 80 Ca 0.16 0.51 0.09 0.00 0.00 0.00 0.00 61.98 62.74 2ncm s VAL 80 Cb -0.21 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 2ncm s VAL 80 CO -0.09 0.36 -0.01 -0.69 0.00 0.00 0.00 175.10 174.68 2ncm s VAL 81 N 0.67 3.46 0.06 2.92 1.01 -0.69 0.39 120.40 128.21 2ncm s VAL 81 Ca 0.15 -1.85 0.02 0.00 0.00 0.00 0.00 61.98 60.30 2ncm s VAL 81 Cb -0.13 -2.83 -0.03 0.00 0.00 0.00 0.00 36.38 33.39 2ncm s VAL 81 CO 0.04 -0.33 -0.07 -0.89 0.00 0.00 0.00 175.10 173.85 2ncm s THR 82 N -2.22 0.56 0.16 3.92 2.01 -0.83 -1.42 115.64 117.82 2ncm s THR 82 Ca 0.31 -1.41 0.02 0.00 0.31 0.00 0.00 61.69 60.92 2ncm s THR 82 Cb -0.07 -1.02 0.02 0.00 0.01 0.00 0.00 72.50 71.45 2ncm s THR 82 CO 0.19 -0.59 0.20 0.00 -0.69 0.00 0.00 174.62 173.73 2ncm n ALA 83 N 0.87 0.32 -0.00 7.40 0.00 0.45 -1.96 120.51 127.59 2ncm n ALA 83 Ca -0.19 -0.58 -0.17 0.00 0.00 0.00 0.00 53.44 52.50 2ncm n ALA 83 Cb 0.57 0.17 -0.12 0.00 0.00 0.00 0.00 19.45 20.07 2ncm n ALA 83 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2ncm h GLU 84 N 0.00 0.30 -0.01 0.00 4.57 -1.87 -3.33 114.58 114.23 2ncm h GLU 84 Ca -0.08 -0.35 -0.17 0.00 -1.18 0.00 0.00 59.36 57.58 2ncm h GLU 84 Cb 0.34 0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.03 2ncm h GLU 84 CO 0.11 1.07 -0.77 0.38 -1.18 0.00 0.00 179.01 178.62 2ncm h ASP 85 N -0.32 0.19 0.00 1.04 2.03 -1.97 -3.47 116.42 113.92 2ncm h ASP 85 Ca -0.07 -0.14 0.00 0.00 -0.73 0.00 0.00 57.03 56.09 2ncm h ASP 85 Cb 1.26 -0.06 0.00 0.00 -0.83 0.00 0.00 39.33 39.71 2ncm h ASP 85 CO 0.10 0.89 0.00 0.61 -1.03 0.00 0.00 179.24 179.81 2ncm n GLY 86 N 0.65 0.44 3.64 7.15 0.00 -1.25 -5.12 105.19 110.71 2ncm n GLY 86 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 2ncm n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ncm s THR 87 N 0.00 3.29 -0.11 2.61 2.01 -1.26 -4.60 115.64 117.58 2ncm s THR 87 Ca 0.00 0.34 -0.02 0.00 0.31 0.00 0.00 61.69 62.32 2ncm s THR 87 Cb 0.00 -3.27 -0.03 0.00 0.01 0.00 0.00 72.50 69.21 2ncm s THR 87 CO 0.00 -0.08 -0.04 -1.10 -0.69 0.00 0.00 174.62 172.71 2ncm s GLN 88 N 4.78 3.20 -0.26 4.92 -0.21 -1.26 -0.41 119.66 130.41 2ncm s GLN 88 Ca 0.84 -0.50 0.02 0.00 0.02 0.00 0.00 55.36 55.74 2ncm s GLN 88 Cb -0.35 -2.78 0.07 0.00 1.00 0.00 0.00 33.01 30.95 2ncm s GLN 88 CO 0.35 0.50 -0.07 0.45 -2.12 0.00 0.00 175.29 174.40 2ncm s SER 89 N -0.34 4.31 0.60 5.90 0.15 -0.50 -4.94 113.70 118.87 2ncm s SER 89 Ca 0.06 -1.44 0.10 0.00 0.70 0.00 0.00 55.95 55.36 2ncm s SER 89 Cb -0.12 -1.43 0.10 0.00 -1.71 0.00 0.00 66.02 62.85 2ncm s SER 89 CO 0.02 -0.24 0.83 -1.83 1.20 0.00 0.00 173.24 173.23 2ncm s GLU 90 N 1.17 2.21 0.35 5.44 -1.05 -1.26 -1.70 118.70 123.86 2ncm s GLU 90 Ca -0.05 -1.69 -0.06 0.00 -0.15 0.00 0.00 54.97 53.03 2ncm s GLU 90 Cb -0.19 -2.62 0.02 0.00 -0.44 0.00 0.00 34.13 30.90 2ncm s GLU 90 CO -0.06 -0.97 0.56 0.00 0.95 0.00 0.00 175.26 175.74 2ncm n ALA 91 N -2.32 -0.76 -3.24 -0.84 0.00 0.43 -4.66 120.51 109.11 2ncm n ALA 91 Ca 0.17 -1.47 -0.14 0.00 0.00 0.00 0.00 53.44 52.01 2ncm n ALA 91 Cb 0.62 1.18 -0.07 0.00 0.00 0.00 0.00 19.45 21.18 2ncm n ALA 91 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2ncm s THR 92 N -2.60 0.05 -0.10 0.00 -4.23 -1.26 -1.92 115.64 105.58 2ncm s THR 92 Ca 0.24 -0.38 -0.01 0.00 -1.18 0.00 0.00 61.69 60.36 2ncm s THR 92 Cb -0.02 -0.86 0.03 0.00 1.34 0.00 0.00 72.50 72.99 2ncm s THR 92 CO 0.17 -0.21 -0.04 0.54 -0.54 0.00 0.00 174.62 174.54 2ncm s VAL 93 N -1.93 0.76 -1.06 2.29 0.11 -0.93 -4.64 120.40 115.01 2ncm s VAL 93 Ca -0.09 -0.13 -0.22 0.00 -2.93 0.00 0.00 61.98 58.62 2ncm s VAL 93 Cb -0.02 -0.84 0.06 0.00 -1.53 0.00 0.00 36.38 34.05 2ncm s VAL 93 CO 0.02 0.32 1.47 0.21 -3.33 0.00 0.00 175.10 173.79 2ncm s ASN 94 N 1.82 6.57 -0.19 3.54 3.04 -0.06 -1.39 114.94 128.26 2ncm s ASN 94 Ca 0.05 -1.65 -0.18 0.00 0.04 0.00 0.00 52.86 51.11 2ncm s ASN 94 Cb -0.12 -2.56 -0.03 0.00 -1.54 0.00 0.00 41.25 36.99 2ncm s ASN 94 CO -0.07 -1.42 0.50 -0.69 -3.04 0.00 0.00 177.10 172.38 2ncm s VAL 95 N 4.68 5.12 0.19 -5.21 1.01 -0.68 -1.78 120.40 123.73 2ncm s VAL 95 Ca 0.46 0.93 0.08 0.00 0.00 0.00 0.00 61.98 63.45 2ncm s VAL 95 Cb 0.00 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 2ncm s VAL 95 CO -0.07 0.19 -0.02 -0.75 0.00 0.00 0.00 175.10 174.45 2ncm s LYS 96 N 1.54 2.30 -0.09 2.72 2.20 -0.60 0.27 119.74 128.08 2ncm s LYS 96 Ca 0.24 -1.18 -0.05 0.00 -0.36 0.00 0.00 55.97 54.61 2ncm s LYS 96 Cb -0.15 -2.28 0.04 0.00 -1.51 0.00 0.00 37.83 33.92 2ncm s LYS 96 CO 0.09 0.44 0.22 0.42 -0.36 0.00 0.00 175.35 176.17 2ncm s ILE 97 N -1.79 -0.03 -0.14 5.43 1.01 -1.26 -1.96 121.20 122.46 2ncm s ILE 97 Ca 0.27 0.12 0.02 0.00 0.00 0.00 0.00 60.65 61.07 2ncm s ILE 97 Cb -0.09 -0.34 0.01 0.00 0.01 0.00 0.00 42.46 42.04 2ncm s ILE 97 CO 0.18 0.05 -0.21 0.72 0.00 0.00 0.00 174.94 175.68 2ncm s PHE 98 N 1.02 2.68 -2.46 3.97 -0.71 -0.82 -4.68 117.98 116.98 2ncm s PHE 98 Ca -0.07 -1.26 0.28 0.00 -1.04 0.00 0.00 56.93 54.84 2ncm s PHE 98 Cb -0.09 -1.82 1.12 0.00 -1.21 0.00 0.00 43.02 41.03 2ncm s PHE 98 CO -0.06 -0.57 1.79 0.94 -1.34 0.00 0.00 175.22 175.98