#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 0.02 -3.62 5.15 0.24 -1.26 -4.79 118.33 114.08 2ncm n VAL 2 Ca 0.00 -1.49 -0.12 0.00 -2.04 0.00 0.00 64.34 60.69 2ncm n VAL 2 Cb 0.00 0.99 -0.12 0.00 -1.47 0.00 0.00 33.84 33.25 2ncm n VAL 2 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2ncm s LEU 3 N -3.27 -0.40 0.00 1.34 1.02 -1.25 -3.70 118.68 112.42 2ncm s LEU 3 Ca 0.21 0.58 0.01 0.00 0.02 0.00 0.00 54.13 54.95 2ncm s LEU 3 Cb 0.40 0.87 -0.00 0.00 0.02 0.00 0.00 46.19 47.48 2ncm s LEU 3 CO -0.09 -0.25 -0.02 -1.58 0.02 0.00 0.00 176.35 174.43 2ncm s GLN 4 N 2.47 0.15 -0.06 1.70 2.00 0.17 -4.87 119.66 121.23 2ncm s GLN 4 Ca 0.02 -0.09 -0.06 0.00 -2.00 0.00 0.00 55.36 53.23 2ncm s GLN 4 Cb -0.13 -0.12 0.02 0.00 0.80 0.00 0.00 33.01 33.58 2ncm s GLN 4 CO -0.11 0.03 0.17 0.08 -0.50 0.00 0.00 175.29 174.97 2ncm s VAL 5 N -0.12 0.01 -0.26 1.34 1.01 -1.26 -1.51 120.40 119.62 2ncm s VAL 5 Ca -0.00 -0.09 -0.11 0.00 0.00 0.00 0.00 61.98 61.78 2ncm s VAL 5 Cb -0.01 -0.28 0.10 0.00 0.00 0.00 0.00 36.38 36.19 2ncm s VAL 5 CO -0.00 -0.05 0.59 -1.81 0.00 0.00 0.00 175.10 173.83 2ncm s ASP 6 N -0.09 -0.83 0.08 3.32 1.01 -0.82 -4.77 116.67 114.56 2ncm s ASP 6 Ca -0.02 1.36 -0.13 0.00 0.71 0.00 0.00 52.55 54.47 2ncm s ASP 6 Cb -0.02 1.61 -0.06 0.00 1.01 0.00 0.00 42.92 45.46 2ncm s ASP 6 CO 0.00 -0.22 0.46 -0.63 0.21 0.00 0.00 175.17 174.99 2ncm s ILE 7 N 2.21 4.98 -0.04 0.77 1.01 -1.26 -1.87 121.20 126.99 2ncm s ILE 7 Ca -0.07 0.71 0.02 0.00 0.00 0.00 0.00 60.65 61.31 2ncm s ILE 7 Cb -0.09 -3.70 0.01 0.00 0.01 0.00 0.00 42.46 38.68 2ncm s ILE 7 CO -0.17 0.35 -0.10 -0.69 0.00 0.00 0.00 174.94 174.33 2ncm s VAL 8 N -1.33 0.89 0.90 2.92 1.01 -0.56 -4.09 120.40 120.14 2ncm s VAL 8 Ca 0.32 -0.38 -0.12 0.00 0.00 0.00 0.00 61.98 61.80 2ncm s VAL 8 Cb -0.15 -0.81 0.13 0.00 0.00 0.00 0.00 36.38 35.55 2ncm s VAL 8 CO 0.17 0.29 1.14 -2.16 0.00 0.00 0.00 175.10 174.54 2ncm s PRO 9 N 0.44 1.19 0.12 2.72 0.04 -1.26 -1.31 135.00 136.94 2ncm s PRO 9 Ca -0.08 0.28 -0.13 0.00 0.04 0.00 0.00 61.00 61.11 2ncm s PRO 9 Cb -0.12 -1.85 -0.04 0.00 0.04 0.00 0.00 34.50 32.54 2ncm s PRO 9 CO 0.01 -2.16 1.50 0.66 0.04 0.00 0.00 177.00 177.06 2ncm h SER 10 N -1.47 0.81 -3.30 6.66 4.64 -1.94 -3.41 113.55 115.53 2ncm h SER 10 Ca -0.50 -0.40 -0.52 0.00 -0.47 0.00 0.00 61.79 59.90 2ncm h SER 10 Cb 1.33 -0.22 -0.39 0.00 -0.31 0.00 0.00 62.40 62.80 2ncm h SER 10 CO 0.62 1.03 -0.77 0.00 -0.87 0.00 0.00 176.83 176.84 2ncm s GLN 11 N -4.65 0.80 -0.47 4.77 -2.07 -1.26 -1.65 119.66 115.12 2ncm s GLN 11 Ca -0.12 -0.40 -0.10 0.00 -1.82 0.00 0.00 55.36 52.91 2ncm s GLN 11 Cb 0.10 -1.99 0.12 0.00 -1.09 0.00 0.00 33.01 30.15 2ncm s GLN 11 CO 0.83 -0.57 0.35 0.20 -1.32 0.00 0.00 175.29 174.78 2ncm s GLY 12 N 1.82 2.04 -0.08 2.60 0.00 -0.71 -5.01 107.32 107.98 2ncm s GLY 12 Ca -0.00 -2.51 -0.24 0.00 0.00 0.00 0.00 44.72 41.96 2ncm s GLY 12 CO -0.07 1.11 0.75 -0.54 0.00 0.00 0.00 173.10 174.34 2ncm s GLU 13 N 1.39 4.42 0.12 2.90 8.01 -1.26 -1.94 118.70 132.34 2ncm s GLU 13 Ca 0.05 0.95 -0.06 0.00 0.01 0.00 0.00 54.97 55.92 2ncm s GLU 13 Cb -0.26 -3.47 -0.02 0.00 -4.31 0.00 0.00 34.13 26.07 2ncm s GLU 13 CO -0.00 -0.01 0.16 0.42 0.01 0.00 0.00 175.26 175.83 2ncm s ILE 14 N 1.04 0.12 0.18 -1.63 1.09 -0.75 -4.98 121.20 116.27 2ncm s ILE 14 Ca 0.39 -1.51 0.05 0.00 -1.10 0.00 0.00 60.65 58.48 2ncm s ILE 14 Cb -0.18 -1.69 -0.04 0.00 -1.06 0.00 0.00 42.46 39.50 2ncm s ILE 14 CO 0.18 -0.55 0.22 -0.94 -0.10 0.00 0.00 174.94 173.76 2ncm s SER 15 N -2.95 5.88 0.33 3.58 1.04 -1.26 -1.88 113.70 118.45 2ncm s SER 15 Ca 0.14 -0.03 -0.29 0.00 0.48 0.00 0.00 55.95 56.25 2ncm s SER 15 Cb 0.05 -1.64 -0.11 0.00 0.10 0.00 0.00 66.02 64.43 2ncm s SER 15 CO -0.04 0.03 1.45 -0.69 0.98 0.00 0.00 173.24 174.96 2ncm s VAL 16 N -1.84 2.32 0.00 5.02 1.01 -0.79 -2.03 120.40 124.08 2ncm s VAL 16 Ca 0.33 0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.61 2ncm s VAL 16 Cb -0.10 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 33.09 2ncm s VAL 16 CO 0.26 0.07 0.00 0.61 0.00 0.00 0.00 175.10 176.04 2ncm n GLY 17 N 1.06 2.30 3.95 4.51 0.00 -1.01 -4.91 105.19 111.09 2ncm n GLY 17 Ca 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.71 3.47 0.37 1.61 0.41 -0.86 -4.67 118.70 118.33 2ncm s GLU 18 Ca 0.00 -0.52 0.04 0.00 -0.41 0.00 0.00 54.97 54.08 2ncm s GLU 18 Cb 0.00 -2.79 -0.01 0.00 -1.78 0.00 0.00 34.13 29.55 2ncm s GLU 18 CO 0.00 0.31 0.54 -1.54 -0.49 0.00 0.00 175.26 174.08 2ncm s SER 19 N -3.88 5.95 -0.29 -0.19 1.04 -1.21 -2.36 113.70 112.75 2ncm s SER 19 Ca 0.37 0.02 -0.07 0.00 0.48 0.00 0.00 55.95 56.75 2ncm s SER 19 Cb -0.10 -1.40 0.15 0.00 0.10 0.00 0.00 66.02 64.77 2ncm s SER 19 CO 0.32 -0.50 0.61 -1.59 0.98 0.00 0.00 173.24 173.06 2ncm s LYS 20 N -4.31 0.56 -0.01 4.02 -2.85 -0.51 -4.97 119.74 111.67 2ncm s LYS 20 Ca 0.45 1.27 0.03 0.00 -1.00 0.00 0.00 55.97 56.73 2ncm s LYS 20 Cb -0.10 0.71 -0.03 0.00 -2.06 0.00 0.00 37.83 36.35 2ncm s LYS 20 CO 0.34 -0.35 -0.08 -0.59 0.10 0.00 0.00 175.35 174.77 2ncm s PHE 21 N 2.86 2.85 -0.26 1.78 -0.12 -1.26 -1.17 117.98 122.67 2ncm s PHE 21 Ca 0.03 -0.06 0.03 0.00 -0.05 0.00 0.00 56.93 56.88 2ncm s PHE 21 Cb -0.13 -1.61 0.06 0.00 -0.63 0.00 0.00 43.02 40.71 2ncm s PHE 21 CO -0.19 0.34 -0.10 -0.06 -0.05 0.00 0.00 175.22 175.16 2ncm s PHE 22 N -0.94 3.16 -0.38 3.49 0.40 -0.78 -4.75 117.98 118.17 2ncm s PHE 22 Ca 0.16 -2.26 -0.29 0.00 -0.60 0.00 0.00 56.93 53.94 2ncm s PHE 22 Cb -0.11 -1.89 0.01 0.00 0.51 0.00 0.00 43.02 41.55 2ncm s PHE 22 CO 0.06 -0.87 1.24 -1.17 0.70 0.00 0.00 175.22 175.18 2ncm s LEU 23 N 1.14 3.74 -0.46 -0.37 2.96 -0.43 -1.60 118.68 123.66 2ncm s LEU 23 Ca -0.09 0.86 -0.19 0.00 -0.22 0.00 0.00 54.13 54.50 2ncm s LEU 23 Cb -0.20 -3.54 0.04 0.00 0.50 0.00 0.00 46.19 42.99 2ncm s LEU 23 CO -0.05 -1.19 0.58 0.00 -1.32 0.00 0.00 176.35 174.37 2ncm s GLN 25 N 2.57 3.51 0.38 0.00 -0.21 -0.78 -1.96 119.66 123.18 2ncm s GLN 25 Ca 0.17 -0.37 0.04 0.00 0.02 0.00 0.00 55.36 55.21 2ncm s GLN 25 Cb -0.17 -2.83 -0.04 0.00 1.00 0.00 0.00 33.01 30.98 2ncm s GLN 25 CO 0.15 0.38 0.10 0.14 -2.12 0.00 0.00 175.29 173.94 2ncm s VAL 26 N -1.91 0.78 -0.30 1.09 -7.23 -1.26 -1.95 120.40 109.62 2ncm s VAL 26 Ca 0.38 -2.00 -0.15 0.00 -1.81 0.00 0.00 61.98 58.40 2ncm s VAL 26 Cb -0.11 -2.47 0.15 0.00 0.56 0.00 0.00 36.38 34.51 2ncm s VAL 26 CO 0.30 0.00 0.95 0.00 -0.31 0.00 0.00 175.10 176.03 2ncm s ALA 27 N -3.24 -2.46 0.00 1.32 0.00 -0.57 -4.93 121.76 111.88 2ncm s ALA 27 Ca 0.27 2.15 0.00 0.00 0.00 0.00 0.00 51.96 54.38 2ncm s ALA 27 Cb 0.04 -1.88 0.00 0.00 0.00 0.00 0.00 23.12 21.29 2ncm s ALA 27 CO 0.14 -0.70 0.00 0.41 0.00 0.00 0.00 175.76 175.62 2ncm n GLY 28 N 4.49 2.62 1.90 0.00 0.00 -1.26 0.45 105.19 113.39 2ncm n GLY 28 Ca -0.13 -0.58 -0.19 0.00 0.00 0.00 0.00 46.02 45.11 2ncm n GLY 28 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2ncm n ASP 29 N 0.00 3.75 -3.41 1.61 8.00 -1.25 -4.93 116.55 120.32 2ncm n ASP 29 Ca 0.00 -3.69 -0.27 0.00 0.71 0.00 0.00 54.79 51.54 2ncm n ASP 29 Cb 0.00 -0.78 0.23 0.00 -0.02 0.00 0.00 41.12 40.55 2ncm n ASP 29 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2ncm n ALA 30 N -1.11 -3.30 0.05 2.24 0.00 -1.24 -5.00 120.51 112.15 2ncm n ALA 30 Ca 0.51 -1.45 -0.20 0.00 0.00 0.00 0.00 53.44 52.30 2ncm n ALA 30 Cb 1.36 -0.10 -0.14 0.00 0.00 0.00 0.00 19.45 20.56 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 0.31 -2.64 0.00 6.56 -1.95 -3.48 116.57 115.37 2ncm h LYS 31 Ca -0.37 -0.53 -0.10 0.00 -1.06 0.00 0.00 60.65 58.60 2ncm h LYS 31 Cb 1.14 0.20 -0.20 0.00 -0.57 0.00 0.00 32.23 32.79 2ncm h LYS 31 CO 0.24 1.20 -0.11 -0.51 -2.06 0.00 0.00 179.45 178.20 2ncm s ASP 32 N -7.09 -0.38 0.05 0.86 1.01 -1.26 -5.05 116.67 104.80 2ncm s ASP 32 Ca -0.15 0.42 0.04 0.00 0.71 0.00 0.00 52.55 53.57 2ncm s ASP 32 Cb 0.06 0.49 -0.02 0.00 1.01 0.00 0.00 42.92 44.45 2ncm s ASP 32 CO 0.84 -0.46 -0.12 -0.54 0.21 0.00 0.00 175.17 175.10 2ncm s LYS 33 N -1.04 0.76 -0.30 8.23 -0.14 -1.26 -3.74 119.74 122.25 2ncm s LYS 33 Ca -0.11 -0.77 -0.01 0.00 -1.36 0.00 0.00 55.97 53.72 2ncm s LYS 33 Cb -0.03 -0.71 0.10 0.00 -1.68 0.00 0.00 37.83 35.50 2ncm s LYS 33 CO 0.05 0.17 0.09 -0.51 -0.76 0.00 0.00 175.35 174.39 2ncm s ASP 34 N -1.33 3.91 0.58 2.83 1.11 -0.07 -4.89 116.67 118.80 2ncm s ASP 34 Ca -0.02 -1.54 -0.19 0.00 0.18 0.00 0.00 52.55 50.98 2ncm s ASP 34 Cb -0.08 -0.81 -0.04 0.00 1.07 0.00 0.00 42.92 43.05 2ncm s ASP 34 CO 0.01 -0.41 1.18 -0.63 1.18 0.00 0.00 175.17 176.51 2ncm s ILE 35 N 1.67 2.81 0.05 0.77 1.09 -1.26 -1.79 121.20 124.54 2ncm s ILE 35 Ca 0.09 0.50 -0.14 0.00 -1.10 0.00 0.00 60.65 60.00 2ncm s ILE 35 Cb -0.17 -3.20 0.02 0.00 -1.06 0.00 0.00 42.46 38.05 2ncm s ILE 35 CO -0.25 -0.11 0.32 -0.44 -0.10 0.00 0.00 174.94 174.36 2ncm s SER 36 N -1.65 -0.14 -0.10 3.58 0.01 0.22 -4.93 113.70 110.69 2ncm s SER 36 Ca 0.76 -0.20 -0.02 0.00 1.31 0.00 0.00 55.95 57.80 2ncm s SER 36 Cb -0.28 0.37 0.03 0.00 0.21 0.00 0.00 66.02 66.36 2ncm s SER 36 CO 0.31 -0.65 0.00 0.26 0.41 0.00 0.00 173.24 173.58 2ncm s TRP 37 N -2.71 0.81 -0.28 2.43 0.52 -1.26 -1.42 118.94 117.03 2ncm s TRP 37 Ca -0.04 -0.36 0.01 0.00 0.02 0.00 0.00 56.10 55.73 2ncm s TRP 37 Cb -0.00 -0.88 0.06 0.00 -1.15 0.00 0.00 33.47 31.49 2ncm s TRP 37 CO -0.04 -0.40 -0.06 -0.06 0.02 0.00 0.00 176.95 176.41 2ncm s PHE 38 N 1.93 3.27 0.78 -1.98 0.40 -0.76 -1.92 117.98 119.69 2ncm s PHE 38 Ca 0.04 -2.12 -0.14 0.00 -0.60 0.00 0.00 56.93 54.10 2ncm s PHE 38 Cb -0.13 -2.03 0.06 0.00 0.51 0.00 0.00 43.02 41.43 2ncm s PHE 38 CO -0.06 -0.85 1.22 -1.13 0.70 0.00 0.00 175.22 175.10 2ncm n SER 39 N 4.52 1.25 0.00 1.36 3.41 -0.40 0.27 113.62 124.02 2ncm n SER 39 Ca -0.13 0.64 0.00 0.00 -0.26 0.00 0.00 58.87 59.11 2ncm n SER 39 Cb 0.43 -1.52 0.00 0.00 -0.26 0.00 0.00 64.21 62.86 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 -2.99 0.00 -1.60 4.33 -0.01 -1.20 -2.10 135.00 131.43 2ncm n PRO 40 Ca 0.14 0.36 -0.14 0.00 -0.01 0.00 0.00 63.50 63.86 2ncm n PRO 40 Cb 0.50 -0.59 0.08 0.00 -0.01 0.00 0.00 33.50 33.47 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 -1.76 3.78 0.00 2.55 4.05 -1.26 -4.64 115.26 117.98 2ncm n ASN 41 Ca 0.00 -3.72 0.00 0.00 0.45 0.00 0.00 54.58 51.31 2ncm n ASN 41 Cb 0.00 -0.40 0.00 0.00 1.23 0.00 0.00 39.78 40.61 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 -0.81 0.32 7.00 8.20 0.00 -0.89 -5.14 105.19 113.87 2ncm n GLY 42 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.37 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 -1.27 0.00 -1.66 1.61 1.02 -0.94 -4.74 120.64 114.66 2ncm n GLU 43 Ca 0.00 0.00 -0.48 0.00 -0.02 0.00 0.00 57.16 56.66 2ncm n GLU 43 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.37 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 -0.78 2.06 -1.76 3.49 4.81 -1.26 -1.28 118.16 123.44 2ncm n LYS 44 Ca 0.00 0.74 -0.30 0.00 -0.87 0.00 0.00 58.31 57.88 2ncm n LYS 44 Cb 0.00 -2.66 0.17 0.00 0.02 0.00 0.00 35.03 32.57 2ncm n LYS 44 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2ncm s LEU 45 N 4.61 2.31 0.28 3.14 1.43 -0.81 -4.93 118.68 124.71 2ncm s LEU 45 Ca 0.95 0.47 -0.02 0.00 -1.03 0.00 0.00 54.13 54.50 2ncm s LEU 45 Cb -0.69 -2.57 -0.04 0.00 0.03 0.00 0.00 46.19 42.92 2ncm s LEU 45 CO 0.51 -2.80 0.50 -0.44 0.23 0.00 0.00 176.35 174.35 2ncm s SER 46 N -4.61 6.38 0.38 2.29 0.01 -1.26 -4.95 113.70 111.95 2ncm s SER 46 Ca 0.71 0.54 0.06 0.00 1.31 0.00 0.00 55.95 58.56 2ncm s SER 46 Cb -0.07 -2.07 0.76 0.00 0.21 0.00 0.00 66.02 64.85 2ncm s SER 46 CO 0.53 -0.18 2.01 -0.65 0.41 0.00 0.00 173.24 175.36 2ncm h PRO 47 N 1.52 0.59 -0.73 12.44 0.11 -1.93 -3.36 132.00 140.64 2ncm h PRO 47 Ca -0.48 -0.05 -0.33 0.00 0.11 0.00 0.00 66.00 65.24 2ncm h PRO 47 Cb 1.20 -0.12 -0.24 0.00 0.11 0.00 0.00 31.00 31.95 2ncm h PRO 47 CO 0.65 0.43 -0.72 0.27 -0.21 0.00 0.00 178.00 178.43 2ncm n ASN 48 N -4.42 -1.40 0.00 -2.05 0.23 -1.26 -2.75 115.26 103.60 2ncm n ASN 48 Ca 0.03 -3.32 0.00 0.00 -0.53 0.00 0.00 54.58 50.76 2ncm n ASN 48 Cb 0.10 0.98 0.00 0.00 -2.08 0.00 0.00 39.78 38.78 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 0.77 0.00 0.00 -3.83 10.64 -1.26 -4.99 117.38 118.71 2ncm n GLN 49 Ca 0.13 0.32 0.00 0.00 -1.83 0.00 0.00 57.00 55.62 2ncm n GLN 49 Cb 0.65 -1.22 0.00 0.00 -0.86 0.00 0.00 30.24 28.81 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 -1.46 0.00 -0.11 2.61 6.02 -1.26 -5.00 117.38 118.17 2ncm n GLN 50 Ca 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 57.00 56.84 2ncm n GLN 50 Cb 0.00 0.00 -0.13 0.00 1.02 0.00 0.00 30.24 31.13 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 -1.82 0.67 -2.76 -1.09 1.74 -1.26 -4.85 116.66 107.28 2ncm n ARG 51 Ca 0.00 0.11 -0.43 0.00 -0.77 0.00 0.00 57.85 56.76 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 -2.51 4.25 -0.24 0.55 1.01 -1.26 -1.97 121.20 121.03 2ncm s ILE 52 Ca -0.26 0.37 -0.06 0.00 0.00 0.00 0.00 60.65 60.70 2ncm s ILE 52 Cb 0.08 -4.62 -0.02 0.00 0.01 0.00 0.00 42.46 37.91 2ncm s ILE 52 CO 0.69 -1.25 0.04 -0.55 0.00 0.00 0.00 174.94 173.87 2ncm s SER 53 N 3.00 4.93 0.39 3.58 0.15 0.15 -3.98 113.70 121.93 2ncm s SER 53 Ca 0.33 -0.25 -0.03 0.00 0.70 0.00 0.00 55.95 56.70 2ncm s SER 53 Cb -0.11 -1.88 -0.04 0.00 -1.71 0.00 0.00 66.02 62.28 2ncm s SER 53 CO 0.20 -0.02 0.65 -0.69 1.20 0.00 0.00 173.24 174.57 2ncm s VAL 54 N 1.54 5.01 -0.07 4.45 1.01 -1.11 -1.61 120.40 129.62 2ncm s VAL 54 Ca 0.06 -0.09 -0.17 0.00 0.00 0.00 0.00 61.98 61.78 2ncm s VAL 54 Cb -0.15 -3.84 0.04 0.00 0.00 0.00 0.00 36.38 32.42 2ncm s VAL 54 CO 0.02 -0.64 0.40 0.54 0.00 0.00 0.00 175.10 175.41 2ncm s VAL 55 N -2.46 0.03 -0.28 2.92 0.11 -0.72 -4.91 120.40 115.09 2ncm s VAL 55 Ca 0.44 -0.24 0.03 0.00 -2.93 0.00 0.00 61.98 59.27 2ncm s VAL 55 Cb -0.10 -0.65 0.07 0.00 -1.53 0.00 0.00 36.38 34.17 2ncm s VAL 55 CO 0.39 -0.13 -0.04 0.26 -3.33 0.00 0.00 175.10 172.24 2ncm s TRP 56 N -0.76 3.22 0.00 1.54 0.51 -1.26 -1.03 118.94 121.15 2ncm s TRP 56 Ca -0.08 -2.42 0.00 0.00 -2.12 0.00 0.00 56.10 51.48 2ncm s TRP 56 Cb -0.04 -2.17 0.00 0.00 -0.81 0.00 0.00 33.47 30.46 2ncm s TRP 56 CO 0.04 -0.88 0.00 0.09 -0.51 0.00 0.00 176.95 175.68 2ncm n ASN 57 N 4.43 0.00 -3.21 2.95 3.02 -0.61 -5.00 115.26 116.84 2ncm n ASN 57 Ca -0.08 0.00 -0.24 0.00 -0.03 0.00 0.00 54.58 54.24 2ncm n ASN 57 Cb 0.42 -0.00 0.22 0.00 -0.61 0.00 0.00 39.78 39.81 2ncm n ASN 57 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2ncm n ASP 58 N -1.44 -3.22 -0.30 6.41 8.00 -1.23 -4.86 116.55 119.92 2ncm n ASP 58 Ca 0.00 -0.77 0.21 0.00 0.71 0.00 0.00 54.79 54.94 2ncm n ASP 58 Cb 0.00 -0.77 0.50 0.00 -0.02 0.00 0.00 41.12 40.83 2ncm n ASP 58 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 2ncm h ASP 59 N -3.04 0.44 0.00 -2.24 3.32 -2.03 -3.27 116.42 109.62 2ncm h ASP 59 Ca -0.31 0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.81 2ncm h ASP 59 Cb 1.02 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.56 2ncm h ASP 59 CO 0.19 0.13 -0.21 0.47 -1.72 0.00 0.00 179.24 178.10 2ncm n ASP 60 N -4.58 0.00 -4.85 6.45 8.00 -1.26 -5.02 116.55 115.29 2ncm n ASP 60 Ca 0.23 -1.42 -0.37 0.00 0.71 0.00 0.00 54.79 53.94 2ncm n ASP 60 Cb 0.80 -0.08 -0.06 0.00 -0.02 0.00 0.00 41.12 41.75 2ncm n ASP 60 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2ncm s SER 61 N -0.42 6.49 -0.09 -2.24 0.15 -1.23 -4.58 113.70 111.77 2ncm s SER 61 Ca 0.00 0.59 -0.05 0.00 0.70 0.00 0.00 55.95 57.19 2ncm s SER 61 Cb 0.00 -2.12 0.04 0.00 -1.71 0.00 0.00 66.02 62.23 2ncm s SER 61 CO 0.00 0.36 0.22 -0.44 1.20 0.00 0.00 173.24 174.58 2ncm s SER 62 N -0.91 -0.22 0.13 5.45 0.01 -0.83 -1.57 113.70 115.77 2ncm s SER 62 Ca 0.17 0.46 -0.01 0.00 1.31 0.00 0.00 55.95 57.88 2ncm s SER 62 Cb -0.13 0.36 -0.04 0.00 0.21 0.00 0.00 66.02 66.41 2ncm s SER 62 CO 0.06 -0.15 0.32 -0.89 0.41 0.00 0.00 173.24 172.99 2ncm s THR 63 N 1.09 5.27 -0.55 1.44 2.01 -0.20 -1.64 115.64 123.06 2ncm s THR 63 Ca -0.08 -0.31 -0.01 0.00 0.31 0.00 0.00 61.69 61.60 2ncm s THR 63 Cb -0.10 -3.67 0.14 0.00 0.01 0.00 0.00 72.50 68.88 2ncm s THR 63 CO -0.07 -0.01 0.34 -0.22 -0.69 0.00 0.00 174.62 173.97 2ncm s LEU 64 N -2.88 5.06 0.11 4.42 0.20 -0.63 -1.76 118.68 123.20 2ncm s LEU 64 Ca 0.38 -2.67 -0.21 0.00 0.69 0.00 0.00 54.13 52.31 2ncm s LEU 64 Cb -0.12 -1.80 -0.07 0.00 -0.43 0.00 0.00 46.19 43.77 2ncm s LEU 64 CO 0.27 -0.38 0.64 -0.89 -0.29 0.00 0.00 176.35 175.70 2ncm s THR 65 N 0.20 4.61 -0.35 3.68 2.01 -0.63 -1.87 115.64 123.28 2ncm s THR 65 Ca 0.15 1.39 -0.01 0.00 0.31 0.00 0.00 61.69 63.53 2ncm s THR 65 Cb -0.22 -3.98 0.12 0.00 0.01 0.00 0.00 72.50 68.43 2ncm s THR 65 CO -0.03 0.54 0.18 -0.63 -0.69 0.00 0.00 174.62 173.99 2ncm s ILE 66 N -1.12 0.43 0.00 1.82 1.01 -0.32 -0.67 121.20 122.35 2ncm s ILE 66 Ca 0.31 -1.59 0.00 0.00 0.00 0.00 0.00 60.65 59.37 2ncm s ILE 66 Cb -0.21 -1.33 0.00 0.00 0.01 0.00 0.00 42.46 40.93 2ncm s ILE 66 CO 0.22 -0.86 0.00 -1.22 0.00 0.00 0.00 174.94 173.07 2ncm n TYR 67 N 4.36 0.00 -1.54 3.97 4.01 -0.83 -1.42 117.16 125.70 2ncm n TYR 67 Ca 0.05 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.52 2ncm n TYR 67 Cb 0.38 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.34 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 1.65 -4.82 7.72 5.15 -1.26 -3.35 115.26 120.35 2ncm n ASN 68 Ca 0.00 -0.79 -0.33 0.00 -0.60 0.00 0.00 54.58 52.85 2ncm n ASN 68 Cb 0.00 -1.47 -0.07 0.00 -0.53 0.00 0.00 39.78 37.71 2ncm n ASN 68 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2ncm s ALA 69 N 11.95 3.04 0.06 5.20 0.00 -1.00 -4.82 121.76 136.20 2ncm s ALA 69 Ca 1.03 0.42 -0.08 0.00 0.00 0.00 0.00 51.96 53.32 2ncm s ALA 69 Cb -0.32 -3.16 -0.00 0.00 0.00 0.00 0.00 23.12 19.64 2ncm s ALA 69 CO 0.24 0.11 0.18 0.54 0.00 0.00 0.00 175.76 176.83 2ncm s ASN 70 N -2.14 0.10 0.60 0.00 2.20 -1.26 -2.39 114.94 112.05 2ncm s ASN 70 Ca 0.62 -0.53 0.29 0.00 -0.94 0.00 0.00 52.86 52.29 2ncm s ASN 70 Cb -0.10 0.30 1.57 0.00 -2.00 0.00 0.00 41.25 41.02 2ncm s ASN 70 CO 0.14 -0.64 1.96 0.16 -2.94 0.00 0.00 177.10 175.79 2ncm h ILE 71 N 3.13 0.32 -0.26 0.54 3.07 -1.95 0.10 117.51 122.45 2ncm h ILE 71 Ca -0.33 0.00 -0.19 0.00 1.55 0.00 0.00 64.86 65.89 2ncm h ILE 71 Cb 1.19 0.69 0.00 0.00 -0.27 0.00 0.00 36.82 38.44 2ncm h ILE 71 CO 0.53 0.00 -0.59 0.44 -1.05 0.00 0.00 178.15 177.48 2ncm h ASP 72 N 0.00 0.97 -0.19 2.16 3.32 -1.96 -3.11 116.42 117.61 2ncm h ASP 72 Ca 0.14 -0.54 -0.10 0.00 0.02 0.00 0.00 57.03 56.55 2ncm h ASP 72 Cb 0.88 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 40.13 2ncm h ASP 72 CO -0.00 1.34 -0.20 0.44 -1.72 0.00 0.00 179.24 179.10 2ncm h ASP 73 N 0.65 0.62 -1.54 6.45 3.32 -1.40 -3.44 116.42 121.09 2ncm h ASP 73 Ca 0.00 -0.20 -0.69 0.00 0.02 0.00 0.00 57.03 56.15 2ncm h ASP 73 Cb 1.20 -0.17 0.01 0.00 0.22 0.00 0.00 39.33 40.59 2ncm h ASP 73 CO 0.13 0.83 1.08 0.00 -1.72 0.00 0.00 179.24 179.56 2ncm n ALA 74 N -2.49 0.38 0.00 3.45 0.00 -0.97 -4.81 120.51 116.08 2ncm n ALA 74 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.70 2ncm n ALA 74 Cb 0.40 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.48 2ncm n ALA 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ncm n GLY 75 N 4.85 0.11 3.56 0.00 0.00 0.16 -4.90 105.19 108.97 2ncm n GLY 75 Ca 0.29 -1.07 -0.33 0.00 0.00 0.00 0.00 46.02 44.92 2ncm n GLY 75 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ncm s ILE 76 N -2.00 3.62 1.11 -0.61 -1.09 -1.26 -1.81 121.20 119.16 2ncm s ILE 76 Ca 0.00 -0.42 -0.15 0.00 -2.23 0.00 0.00 60.65 57.85 2ncm s ILE 76 Cb 0.00 -4.40 0.24 0.00 -1.58 0.00 0.00 42.46 36.72 2ncm s ILE 76 CO 0.00 -1.33 1.08 -0.31 -1.23 0.00 0.00 174.94 173.16 2ncm s TYR 77 N 8.05 1.41 0.09 3.97 1.51 -0.57 -3.24 117.35 128.58 2ncm s TYR 77 Ca 0.60 0.83 0.02 0.00 -1.01 0.00 0.00 57.07 57.51 2ncm s TYR 77 Cb -0.05 -3.29 -0.04 0.00 -0.11 0.00 0.00 41.96 38.48 2ncm s TYR 77 CO -0.01 -3.43 -0.07 0.21 -1.11 0.00 0.00 175.55 171.13 2ncm s LYS 78 N -5.04 0.81 -0.30 -0.62 2.20 0.14 -2.07 119.74 114.86 2ncm s LYS 78 Ca 0.68 -1.25 -0.02 0.00 -0.36 0.00 0.00 55.97 55.02 2ncm s LYS 78 Cb -0.17 -0.27 0.12 0.00 -1.51 0.00 0.00 37.83 36.00 2ncm s LYS 78 CO 0.58 0.01 0.19 0.00 -0.36 0.00 0.00 175.35 175.77 2ncm s VAL 80 N 1.95 4.95 -0.03 0.00 1.01 -0.50 -0.51 120.40 127.26 2ncm s VAL 80 Ca 0.11 0.02 0.06 0.00 0.00 0.00 0.00 61.98 62.17 2ncm s VAL 80 Cb -0.17 -3.22 -0.02 0.00 0.00 0.00 0.00 36.38 32.97 2ncm s VAL 80 CO -0.28 0.48 -0.22 -0.69 0.00 0.00 0.00 175.10 174.40 2ncm s VAL 81 N 0.14 2.42 0.03 2.92 1.01 -0.75 0.69 120.40 126.86 2ncm s VAL 81 Ca 0.06 -0.97 0.07 0.00 0.00 0.00 0.00 61.98 61.14 2ncm s VAL 81 Cb -0.12 -1.88 -0.02 0.00 0.00 0.00 0.00 36.38 34.36 2ncm s VAL 81 CO 0.00 0.58 -0.19 -0.89 0.00 0.00 0.00 175.10 174.60 2ncm s THR 82 N -0.64 1.54 0.45 3.92 2.01 -0.74 -0.62 115.64 121.56 2ncm s THR 82 Ca 0.10 -1.08 0.01 0.00 0.31 0.00 0.00 61.69 61.02 2ncm s THR 82 Cb -0.10 -1.33 0.09 0.00 0.01 0.00 0.00 72.50 71.16 2ncm s THR 82 CO -0.00 0.22 0.62 0.00 -0.69 0.00 0.00 174.62 174.76 2ncm n ALA 83 N 2.02 0.20 0.18 7.40 0.00 -0.29 -0.89 120.51 129.13 2ncm n ALA 83 Ca -0.17 -1.25 -0.11 0.00 0.00 0.00 0.00 53.44 51.91 2ncm n ALA 83 Cb 0.54 0.22 -0.06 0.00 0.00 0.00 0.00 19.45 20.14 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 -0.50 -0.17 0.00 4.81 -1.87 -3.27 114.58 113.58 2ncm h GLU 84 Ca -0.20 0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.05 2ncm h GLU 84 Cb 0.77 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.26 2ncm h GLU 84 CO 0.23 -0.21 0.09 0.38 -0.73 0.00 0.00 179.01 178.77 2ncm h ASP 85 N -1.01 0.20 0.00 1.04 2.03 -1.97 -3.46 116.42 113.26 2ncm h ASP 85 Ca -0.05 -0.01 0.00 0.00 -0.73 0.00 0.00 57.03 56.24 2ncm h ASP 85 Cb 0.52 -0.05 0.00 0.00 -0.83 0.00 0.00 39.33 38.97 2ncm h ASP 85 CO 0.09 0.18 0.00 0.61 -1.03 0.00 0.00 179.24 179.08 2ncm n GLY 86 N -1.43 1.01 3.58 7.15 0.00 -1.23 -5.10 105.19 109.17 2ncm n GLY 86 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2ncm n GLY 86 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2ncm n THR 87 N 0.00 0.24 -4.91 2.61 -1.04 -1.26 -4.50 114.28 105.43 2ncm n THR 87 Ca 0.00 -0.53 -0.33 0.00 -2.04 0.00 0.00 64.05 61.15 2ncm n THR 87 Cb 0.00 -2.59 -0.14 0.00 -1.82 0.00 0.00 70.33 65.78 2ncm n THR 87 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2ncm s GLN 88 N 6.80 2.95 -0.21 -2.82 -2.07 -1.26 -1.13 119.66 121.93 2ncm s GLN 88 Ca 1.01 -0.73 -0.02 0.00 -1.82 0.00 0.00 55.36 53.80 2ncm s GLN 88 Cb -0.32 -2.46 0.00 0.00 -1.09 0.00 0.00 33.01 29.14 2ncm s GLN 88 CO 0.34 0.38 -0.10 0.45 -1.32 0.00 0.00 175.29 175.03 2ncm s SER 89 N -0.09 3.86 0.56 12.60 0.15 0.21 -4.92 113.70 126.07 2ncm s SER 89 Ca -0.03 -0.51 0.07 0.00 0.70 0.00 0.00 55.95 56.18 2ncm s SER 89 Cb -0.14 -1.64 0.07 0.00 -1.71 0.00 0.00 66.02 62.61 2ncm s SER 89 CO 0.04 -0.02 0.61 -1.84 1.20 0.00 0.00 173.24 173.23 2ncm n GLU 90 N 4.72 0.64 -3.95 5.44 0.28 -1.26 -1.81 120.64 124.71 2ncm n GLU 90 Ca -0.19 -3.25 -0.12 0.00 -0.16 0.00 0.00 57.16 53.44 2ncm n GLU 90 Cb 0.50 0.04 -0.01 0.00 1.43 0.00 0.00 31.44 33.41 2ncm n GLU 90 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2ncm s ALA 91 N -2.74 -0.03 0.04 -1.84 0.00 0.33 -4.71 121.76 112.83 2ncm s ALA 91 Ca 0.47 -1.10 -0.17 0.00 0.00 0.00 0.00 51.96 51.16 2ncm s ALA 91 Cb -0.04 0.92 0.03 0.00 0.00 0.00 0.00 23.12 24.03 2ncm s ALA 91 CO 0.30 -0.89 0.37 0.95 0.00 0.00 0.00 175.76 176.49 2ncm s THR 92 N -2.77 0.07 -0.04 0.00 -4.23 -1.26 -1.93 115.64 105.47 2ncm s THR 92 Ca 0.23 -0.54 -0.01 0.00 -1.18 0.00 0.00 61.69 60.19 2ncm s THR 92 Cb -0.03 -0.95 0.03 0.00 1.34 0.00 0.00 72.50 72.89 2ncm s THR 92 CO 0.15 -0.30 0.04 0.54 -0.54 0.00 0.00 174.62 174.51 2ncm s VAL 93 N -2.52 0.03 -0.77 2.29 0.11 -0.88 -4.65 120.40 114.01 2ncm s VAL 93 Ca -0.05 0.29 -0.26 0.00 -2.93 0.00 0.00 61.98 59.03 2ncm s VAL 93 Cb -0.01 -0.22 0.01 0.00 -1.53 0.00 0.00 36.38 34.62 2ncm s VAL 93 CO -0.03 0.17 1.59 0.21 -3.33 0.00 0.00 175.10 173.72 2ncm s ASN 94 N 1.78 5.78 -0.15 3.54 2.47 -0.66 -1.51 114.94 126.19 2ncm s ASN 94 Ca 0.00 -0.39 -0.13 0.00 0.42 0.00 0.00 52.86 52.76 2ncm s ASN 94 Cb -0.12 -2.55 -0.05 0.00 -1.45 0.00 0.00 41.25 37.08 2ncm s ASN 94 CO -0.03 -2.09 0.27 -0.69 -3.72 0.00 0.00 177.10 170.84 2ncm s VAL 95 N 7.33 5.31 0.09 -5.21 1.01 -0.75 -1.73 120.40 126.45 2ncm s VAL 95 Ca 0.52 0.50 0.10 0.00 0.00 0.00 0.00 61.98 63.10 2ncm s VAL 95 Cb -0.08 -3.60 -0.03 0.00 0.00 0.00 0.00 36.38 32.67 2ncm s VAL 95 CO 0.10 0.43 -0.25 -0.54 0.00 0.00 0.00 175.10 174.85 2ncm s LYS 96 N 0.17 1.48 -0.02 2.72 1.02 -0.82 0.39 119.74 124.68 2ncm s LYS 96 Ca 0.16 -1.20 -0.01 0.00 0.02 0.00 0.00 55.97 54.94 2ncm s LYS 96 Cb -0.13 -1.79 0.01 0.00 -0.52 0.00 0.00 37.83 35.40 2ncm s LYS 96 CO 0.04 0.44 0.05 0.42 -0.92 0.00 0.00 175.35 175.38 2ncm s ILE 97 N -0.96 -0.02 -0.02 2.17 1.01 -1.26 -1.81 121.20 120.31 2ncm s ILE 97 Ca 0.11 0.06 0.01 0.00 0.00 0.00 0.00 60.65 60.83 2ncm s ILE 97 Cb -0.10 -0.09 0.01 0.00 0.01 0.00 0.00 42.46 42.29 2ncm s ILE 97 CO 0.04 0.02 -0.03 0.72 0.00 0.00 0.00 174.94 175.69 2ncm s PHE 98 N 0.33 0.48 -2.82 3.97 -0.71 -0.79 -4.63 117.98 113.81 2ncm s PHE 98 Ca -0.03 -0.09 0.25 0.00 -1.04 0.00 0.00 56.93 56.03 2ncm s PHE 98 Cb -0.04 -0.42 0.49 0.00 -1.21 0.00 0.00 43.02 41.84 2ncm s PHE 98 CO -0.01 -0.09 1.43 0.00 -1.34 0.00 0.00 175.22 175.21