#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 0.00 -3.38 5.15 0.24 -1.26 -4.98 118.33 114.10 2ncm n VAL 2 Ca 0.00 -1.06 -0.17 0.00 -2.04 0.00 0.00 64.34 61.08 2ncm n VAL 2 Cb 0.00 0.98 -0.09 0.00 -1.47 0.00 0.00 33.84 33.26 2ncm n VAL 2 CO 0.00 0.00 0.00 -1.48 -2.14 0.00 0.00 176.83 173.21 2ncm s LEU 3 N -3.77 -0.20 0.10 1.34 2.34 -1.26 -2.60 118.68 114.63 2ncm s LEU 3 Ca 0.11 -1.05 0.01 0.00 0.06 0.00 0.00 54.13 53.26 2ncm s LEU 3 Cb 0.42 0.56 -0.04 0.00 -0.56 0.00 0.00 46.19 46.57 2ncm s LEU 3 CO -0.12 -0.34 0.24 -1.58 -1.06 0.00 0.00 176.35 173.50 2ncm s GLN 4 N 2.02 3.44 -0.03 1.48 2.00 -0.57 -4.49 119.66 123.51 2ncm s GLN 4 Ca 0.12 -0.50 -0.10 0.00 -2.00 0.00 0.00 55.36 52.89 2ncm s GLN 4 Cb -0.14 -3.01 0.01 0.00 0.80 0.00 0.00 33.01 30.67 2ncm s GLN 4 CO -0.22 0.57 0.21 0.08 -0.50 0.00 0.00 175.29 175.44 2ncm s VAL 5 N -1.61 0.05 -0.26 1.34 1.01 -1.26 -1.62 120.40 118.05 2ncm s VAL 5 Ca 0.35 -0.41 -0.13 0.00 0.00 0.00 0.00 61.98 61.78 2ncm s VAL 5 Cb -0.12 -0.45 0.08 0.00 0.00 0.00 0.00 36.38 35.89 2ncm s VAL 5 CO 0.28 -0.23 0.62 -1.81 0.00 0.00 0.00 175.10 173.97 2ncm s ASP 6 N -0.89 -0.87 0.04 3.32 1.01 -0.80 -4.87 116.67 113.62 2ncm s ASP 6 Ca -0.10 1.39 -0.12 0.00 0.71 0.00 0.00 52.55 54.44 2ncm s ASP 6 Cb -0.05 1.42 -0.06 0.00 1.01 0.00 0.00 42.92 45.25 2ncm s ASP 6 CO 0.02 -0.23 0.39 -0.63 0.21 0.00 0.00 175.17 174.93 2ncm s ILE 7 N 1.84 5.09 -0.13 0.77 1.01 -1.26 -1.77 121.20 126.76 2ncm s ILE 7 Ca -0.09 0.59 0.01 0.00 0.00 0.00 0.00 60.65 61.16 2ncm s ILE 7 Cb -0.07 -3.66 0.02 0.00 0.01 0.00 0.00 42.46 38.76 2ncm s ILE 7 CO -0.18 0.42 -0.15 -0.69 0.00 0.00 0.00 174.94 174.34 2ncm s VAL 8 N -1.25 1.58 0.12 2.92 1.01 -0.51 -4.10 120.40 120.17 2ncm s VAL 8 Ca 0.28 -0.67 -0.02 0.00 0.00 0.00 0.00 61.98 61.58 2ncm s VAL 8 Cb -0.15 -1.46 0.03 0.00 0.00 0.00 0.00 36.38 34.80 2ncm s VAL 8 CO 0.15 0.46 0.16 -0.81 0.00 0.00 0.00 175.10 175.06 2ncm n PRO 9 N 4.45 -0.13 -0.09 2.72 -0.04 -1.26 -1.81 135.00 138.84 2ncm n PRO 9 Ca -0.18 -0.25 -0.18 0.00 -0.04 0.00 0.00 63.50 62.85 2ncm n PRO 9 Cb 0.51 -0.16 -0.12 0.00 -0.04 0.00 0.00 33.50 33.69 2ncm n PRO 9 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2ncm h SER 10 N -0.20 0.00 -3.45 3.54 4.64 -1.93 -3.44 113.55 112.71 2ncm h SER 10 Ca -0.05 -0.69 -0.63 0.00 -0.47 0.00 0.00 61.79 59.95 2ncm h SER 10 Cb 0.14 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 61.83 2ncm h SER 10 CO 0.04 1.28 -0.74 0.00 -0.87 0.00 0.00 176.83 176.54 2ncm s GLN 11 N -2.30 1.13 0.53 4.77 -2.07 -1.26 -1.31 119.66 119.16 2ncm s GLN 11 Ca -0.24 -1.52 -0.13 0.00 -1.82 0.00 0.00 55.36 51.64 2ncm s GLN 11 Cb 0.02 -2.66 -0.06 0.00 -1.09 0.00 0.00 33.01 29.22 2ncm s GLN 11 CO 0.62 -0.96 0.96 0.20 -1.32 0.00 0.00 175.29 174.79 2ncm s GLY 12 N 1.22 1.89 -0.27 2.60 0.00 0.19 -4.96 107.32 107.99 2ncm s GLY 12 Ca 0.10 0.00 -0.00 0.00 0.00 0.00 0.00 44.72 44.83 2ncm s GLY 12 CO -0.16 0.26 0.39 -0.54 0.00 0.00 0.00 173.10 173.06 2ncm s GLU 13 N -4.43 0.38 0.26 2.90 2.02 -1.26 -0.78 118.70 117.80 2ncm s GLU 13 Ca 0.56 0.33 0.04 0.00 0.02 0.00 0.00 54.97 55.92 2ncm s GLU 13 Cb -0.10 -0.38 -0.06 0.00 0.10 0.00 0.00 34.13 33.69 2ncm s GLU 13 CO 0.39 -0.84 0.01 0.42 0.02 0.00 0.00 175.26 175.26 2ncm s ILE 14 N 2.55 1.09 0.17 -1.63 1.09 -0.90 -4.99 121.20 118.58 2ncm s ILE 14 Ca 0.11 -2.03 0.04 0.00 -1.10 0.00 0.00 60.65 57.67 2ncm s ILE 14 Cb -0.14 -2.48 -0.04 0.00 -1.06 0.00 0.00 42.46 38.74 2ncm s ILE 14 CO -0.23 -0.22 0.22 -0.94 -0.10 0.00 0.00 174.94 173.67 2ncm s SER 15 N -3.36 5.97 0.31 3.58 1.04 -1.26 -1.88 113.70 118.09 2ncm s SER 15 Ca 0.31 0.02 -0.29 0.00 0.48 0.00 0.00 55.95 56.47 2ncm s SER 15 Cb 0.06 -1.69 -0.10 0.00 0.10 0.00 0.00 66.02 64.39 2ncm s SER 15 CO 0.11 0.05 1.36 -0.69 0.98 0.00 0.00 173.24 175.05 2ncm s VAL 16 N -1.78 2.64 0.00 5.02 1.01 -0.82 -2.31 120.40 124.17 2ncm s VAL 16 Ca 0.33 0.61 0.00 0.00 0.00 0.00 0.00 61.98 62.92 2ncm s VAL 16 Cb -0.10 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 32.89 2ncm s VAL 16 CO 0.26 0.13 0.00 0.61 0.00 0.00 0.00 175.10 176.10 2ncm n GLY 17 N 1.18 2.52 3.51 4.51 0.00 -0.70 -5.00 105.19 111.22 2ncm n GLY 17 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 2ncm n GLY 17 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2ncm s GLU 18 N -0.84 1.86 0.73 1.61 -1.05 -0.98 -4.84 118.70 115.19 2ncm s GLU 18 Ca 0.00 -1.14 -0.12 0.00 -0.15 0.00 0.00 54.97 53.56 2ncm s GLU 18 Cb 0.00 -2.16 0.03 0.00 -0.44 0.00 0.00 34.13 31.56 2ncm s GLU 18 CO 0.00 0.49 1.11 -1.54 0.95 0.00 0.00 175.26 176.27 2ncm s SER 19 N -2.15 5.24 -0.28 0.83 1.04 -0.48 -4.26 113.70 113.63 2ncm s SER 19 Ca 0.19 1.07 -0.09 0.00 0.48 0.00 0.00 55.95 57.59 2ncm s SER 19 Cb -0.11 -1.80 0.12 0.00 0.10 0.00 0.00 66.02 64.33 2ncm s SER 19 CO 0.11 -1.47 0.61 -1.59 0.98 0.00 0.00 173.24 171.88 2ncm s LYS 20 N -5.40 0.54 0.16 4.02 -2.85 -0.65 -4.95 119.74 110.61 2ncm s LYS 20 Ca 0.59 1.39 0.08 0.00 -1.00 0.00 0.00 55.97 57.03 2ncm s LYS 20 Cb -0.11 0.79 -0.04 0.00 -2.06 0.00 0.00 37.83 36.41 2ncm s LYS 20 CO 0.51 -0.21 -0.06 -0.59 0.10 0.00 0.00 175.35 175.10 2ncm s PHE 21 N 2.85 2.73 -0.18 1.78 -0.12 -1.26 -1.36 117.98 122.42 2ncm s PHE 21 Ca -0.05 -0.18 -0.01 0.00 -0.05 0.00 0.00 56.93 56.65 2ncm s PHE 21 Cb -0.12 -1.35 0.05 0.00 -0.63 0.00 0.00 43.02 40.97 2ncm s PHE 21 CO -0.18 0.50 -0.04 -0.06 -0.05 0.00 0.00 175.22 175.39 2ncm s PHE 22 N -1.61 1.72 -0.42 3.49 0.40 -0.70 -4.71 117.98 116.15 2ncm s PHE 22 Ca 0.25 -1.16 -0.29 0.00 -0.60 0.00 0.00 56.93 55.13 2ncm s PHE 22 Cb -0.09 -1.31 0.02 0.00 0.51 0.00 0.00 43.02 42.14 2ncm s PHE 22 CO 0.16 -0.64 1.21 -1.17 0.70 0.00 0.00 175.22 175.48 2ncm s LEU 23 N 1.63 3.70 -0.89 -0.37 2.96 -0.75 -1.65 118.68 123.31 2ncm s LEU 23 Ca -0.01 0.73 -0.17 0.00 -0.22 0.00 0.00 54.13 54.46 2ncm s LEU 23 Cb -0.16 -3.55 0.16 0.00 0.50 0.00 0.00 46.19 43.15 2ncm s LEU 23 CO -0.07 -1.21 0.99 0.00 -1.32 0.00 0.00 176.35 174.74 2ncm s GLN 25 N 1.76 3.65 0.35 0.00 -0.21 -0.73 -2.07 119.66 122.41 2ncm s GLN 25 Ca 0.27 0.33 0.05 0.00 0.02 0.00 0.00 55.36 56.04 2ncm s GLN 25 Cb -0.07 -2.38 -0.07 0.00 1.00 0.00 0.00 33.01 31.49 2ncm s GLN 25 CO -0.09 -0.13 0.02 0.14 -2.12 0.00 0.00 175.29 173.11 2ncm s VAL 26 N -2.57 1.54 -0.31 1.09 -7.23 -1.26 -1.90 120.40 109.75 2ncm s VAL 26 Ca 0.49 -2.02 0.05 0.00 -1.81 0.00 0.00 61.98 58.69 2ncm s VAL 26 Cb -0.10 -2.81 0.19 0.00 0.56 0.00 0.00 36.38 34.21 2ncm s VAL 26 CO 0.39 -0.05 0.55 0.00 -0.31 0.00 0.00 175.10 175.68 2ncm s ALA 27 N -3.05 -2.07 0.00 1.32 0.00 -0.64 -4.93 121.76 112.39 2ncm s ALA 27 Ca 0.35 0.67 0.00 0.00 0.00 0.00 0.00 51.96 52.98 2ncm s ALA 27 Cb 0.08 -2.46 0.00 0.00 0.00 0.00 0.00 23.12 20.74 2ncm s ALA 27 CO 0.16 -1.89 0.00 0.41 0.00 0.00 0.00 175.76 174.44 2ncm n GLY 28 N 5.20 -1.39 1.08 0.00 0.00 -1.26 -1.51 105.19 107.31 2ncm n GLY 28 Ca 0.05 -1.00 0.04 0.00 0.00 0.00 0.00 46.02 45.12 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 0.64 1.50 -3.15 1.61 9.92 -1.17 -4.97 116.55 120.92 2ncm n ASP 29 Ca 0.00 -3.04 -0.19 0.00 -0.53 0.00 0.00 54.79 51.03 2ncm n ASP 29 Cb 0.00 -0.42 0.16 0.00 -0.64 0.00 0.00 41.12 40.21 2ncm n ASP 29 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2ncm n ALA 30 N -0.40 -2.26 0.00 2.24 0.00 -1.07 -5.05 120.51 113.97 2ncm n ALA 30 Ca 0.14 -1.01 0.00 0.00 0.00 0.00 0.00 53.44 52.57 2ncm n ALA 30 Cb 0.90 -0.07 0.00 0.00 0.00 0.00 0.00 19.45 20.28 2ncm n ALA 30 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2ncm n LYS 31 N -3.67 0.00 -0.12 0.00 0.00 -1.26 -4.81 118.16 108.30 2ncm n LYS 31 Ca 0.09 0.00 -0.01 0.00 -0.00 0.00 0.00 58.31 58.39 2ncm n LYS 31 Cb 0.37 -0.41 0.24 0.00 -0.00 0.00 0.00 35.03 35.22 2ncm n LYS 31 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.40 177.62 2ncm h ASP 32 N 0.00 0.73 -0.00 -5.58 3.58 -1.91 -3.47 116.42 109.77 2ncm h ASP 32 Ca 0.00 -0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.35 2ncm h ASP 32 Cb 0.78 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.64 2ncm h ASP 32 CO 0.00 0.67 0.00 0.29 -2.88 0.00 0.00 179.24 177.32 2ncm n LYS 33 N -4.32 0.00 -4.04 0.28 5.02 -1.06 -4.88 118.16 109.16 2ncm n LYS 33 Ca 0.04 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 56.00 2ncm n LYS 33 Cb 0.17 0.00 -0.15 0.00 -0.02 0.00 0.00 35.03 35.03 2ncm n LYS 33 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2ncm s ASP 34 N 0.00 4.13 0.59 4.39 1.01 -0.70 -4.88 116.67 121.21 2ncm s ASP 34 Ca 0.00 -1.06 -0.14 0.00 0.71 0.00 0.00 52.55 52.06 2ncm s ASP 34 Cb 0.00 -1.58 -0.05 0.00 1.01 0.00 0.00 42.92 42.31 2ncm s ASP 34 CO 0.00 -0.13 1.03 -0.63 0.21 0.00 0.00 175.17 175.64 2ncm s ILE 35 N 1.22 4.31 0.09 0.77 1.09 -1.26 -1.70 121.20 125.71 2ncm s ILE 35 Ca -0.03 0.96 -0.16 0.00 -1.10 0.00 0.00 60.65 60.33 2ncm s ILE 35 Cb -0.17 -3.62 0.03 0.00 -1.06 0.00 0.00 42.46 37.64 2ncm s ILE 35 CO -0.06 -0.77 0.37 -0.44 -0.10 0.00 0.00 174.94 173.93 2ncm s SER 36 N -3.36 -0.20 -0.20 3.58 0.01 0.15 -4.94 113.70 108.74 2ncm s SER 36 Ca 0.59 -0.24 -0.03 0.00 1.31 0.00 0.00 55.95 57.58 2ncm s SER 36 Cb -0.12 0.43 0.06 0.00 0.21 0.00 0.00 66.02 66.60 2ncm s SER 36 CO 0.41 -0.75 0.05 0.26 0.41 0.00 0.00 173.24 173.62 2ncm s TRP 37 N -3.24 0.96 -0.33 2.43 0.52 -1.26 -1.62 118.94 116.39 2ncm s TRP 37 Ca -0.00 -0.85 -0.08 0.00 0.02 0.00 0.00 56.10 55.19 2ncm s TRP 37 Cb 0.01 -1.03 0.02 0.00 -1.15 0.00 0.00 33.47 31.33 2ncm s TRP 37 CO -0.08 -0.62 0.12 -0.06 0.02 0.00 0.00 176.95 176.33 2ncm s PHE 38 N 1.88 3.21 0.72 -1.98 0.40 -0.68 -1.58 117.98 119.95 2ncm s PHE 38 Ca 0.00 -1.12 -0.15 0.00 -0.60 0.00 0.00 56.93 55.06 2ncm s PHE 38 Cb -0.17 -2.31 0.03 0.00 0.51 0.00 0.00 43.02 41.09 2ncm s PHE 38 CO -0.10 -0.64 1.21 -1.54 0.70 0.00 0.00 175.22 174.85 2ncm s SER 39 N 1.48 4.24 0.00 1.36 1.04 -0.47 0.31 113.70 121.66 2ncm s SER 39 Ca 0.01 2.37 0.00 0.00 0.48 0.00 0.00 55.95 58.81 2ncm s SER 39 Cb -0.18 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.34 2ncm s SER 39 CO 0.04 -2.24 0.30 -2.65 0.98 0.00 0.00 173.24 169.67 2ncm n PRO 40 N -2.65 0.00 -1.73 4.02 -0.01 -1.22 -2.01 135.00 131.40 2ncm n PRO 40 Ca 0.14 0.30 -0.10 0.00 -0.01 0.00 0.00 63.50 63.82 2ncm n PRO 40 Cb 0.50 -0.46 0.08 0.00 -0.01 0.00 0.00 33.50 33.61 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 -2.06 3.19 0.00 2.55 4.05 -1.26 -4.68 115.26 117.05 2ncm n ASN 41 Ca 0.00 -3.36 0.00 0.00 0.45 0.00 0.00 54.58 51.67 2ncm n ASN 41 Cb 0.00 -0.41 0.00 0.00 1.23 0.00 0.00 39.78 40.60 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 -0.69 0.45 6.87 8.20 0.00 -0.85 -5.14 105.19 114.02 2ncm n GLY 42 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.30 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 -1.19 -0.02 -1.53 1.61 1.02 -0.97 -4.62 120.64 114.93 2ncm n GLU 43 Ca 0.00 0.02 -0.30 0.00 -0.02 0.00 0.00 57.16 56.85 2ncm n GLU 43 Cb 0.00 -0.03 -0.10 0.00 -0.02 0.00 0.00 31.44 31.30 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 -0.80 0.53 -2.26 3.49 4.81 -1.26 -1.37 118.16 121.30 2ncm n LYS 44 Ca 0.00 -0.20 -0.36 0.00 -0.87 0.00 0.00 58.31 56.88 2ncm n LYS 44 Cb 0.01 -2.69 -0.00 0.00 0.02 0.00 0.00 35.03 32.36 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 10.35 3.89 0.61 3.14 0.05 -0.62 -4.95 118.68 131.15 2ncm s LEU 45 Ca 1.11 2.24 -0.18 0.00 0.05 0.00 0.00 54.13 57.35 2ncm s LEU 45 Cb -0.52 -4.40 -0.03 0.00 -2.05 0.00 0.00 46.19 39.19 2ncm s LEU 45 CO 0.32 -1.05 1.20 -0.44 -0.55 0.00 0.00 176.35 175.83 2ncm s SER 46 N -1.55 5.10 0.21 1.48 0.01 -1.26 -4.85 113.70 112.83 2ncm s SER 46 Ca 0.68 2.36 0.07 0.00 1.31 0.00 0.00 55.95 60.37 2ncm s SER 46 Cb -0.26 -2.59 0.14 0.00 0.21 0.00 0.00 66.02 63.51 2ncm s SER 46 CO 0.31 -1.65 1.48 1.55 0.41 0.00 0.00 173.24 175.33 2ncm h PRO 47 N 0.72 0.06 -1.67 12.44 0.13 -1.92 -3.33 132.00 138.43 2ncm h PRO 47 Ca -0.50 -0.06 -0.58 0.00 -0.87 0.00 0.00 66.00 63.99 2ncm h PRO 47 Cb 1.29 0.02 -0.42 0.00 0.13 0.00 0.00 31.00 32.02 2ncm h PRO 47 CO 0.55 0.79 -0.73 0.27 -0.23 0.00 0.00 178.00 178.65 2ncm n ASN 48 N -3.67 4.56 0.00 1.44 0.23 -1.26 -2.60 115.26 113.95 2ncm n ASN 48 Ca -0.02 -3.68 0.00 0.00 -0.53 0.00 0.00 54.58 50.35 2ncm n ASN 48 Cb 0.73 -0.48 0.00 0.00 -2.08 0.00 0.00 39.78 37.95 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 -0.42 0.00 0.00 -3.83 6.02 -1.25 -5.03 117.38 112.87 2ncm n GLN 49 Ca 0.37 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.36 2ncm n GLN 49 Cb 0.61 -0.67 0.00 0.00 1.02 0.00 0.00 30.24 31.20 2ncm n GLN 49 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2ncm n GLN 50 N -0.39 0.00 -0.10 -1.09 1.13 -1.26 -4.99 117.38 110.69 2ncm n GLN 50 Ca 0.00 0.00 -0.11 0.00 -1.94 0.00 0.00 57.00 54.95 2ncm n GLN 50 Cb 0.00 0.00 -0.15 0.00 0.11 0.00 0.00 30.24 30.20 2ncm n GLN 50 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2ncm n ARG 51 N -2.03 0.68 -2.91 -1.09 1.74 -1.26 -4.83 116.66 106.97 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 -1.55 -0.04 0.00 -1.02 0.00 0.00 32.46 29.85 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 4.44 -0.22 0.55 1.01 -1.26 -1.93 121.20 121.29 2ncm s ILE 52 Ca -0.13 -0.32 -0.05 0.00 0.00 0.00 0.00 60.65 60.15 2ncm s ILE 52 Cb 0.07 -4.60 -0.02 0.00 0.01 0.00 0.00 42.46 37.91 2ncm s ILE 52 CO 0.80 -1.29 0.01 -0.55 0.00 0.00 0.00 174.94 173.90 2ncm s SER 53 N 3.42 4.83 0.32 3.58 0.15 -0.05 -4.02 113.70 121.92 2ncm s SER 53 Ca 0.22 -0.23 0.01 0.00 0.70 0.00 0.00 55.95 56.65 2ncm s SER 53 Cb -0.17 -1.84 -0.03 0.00 -1.71 0.00 0.00 66.02 62.27 2ncm s SER 53 CO 0.12 0.03 0.50 -0.69 1.20 0.00 0.00 173.24 174.39 2ncm s VAL 54 N 1.23 5.14 -0.08 4.45 1.01 -1.07 -1.68 120.40 129.40 2ncm s VAL 54 Ca 0.04 -0.56 -0.20 0.00 0.00 0.00 0.00 61.98 61.25 2ncm s VAL 54 Cb -0.15 -3.85 0.04 0.00 0.00 0.00 0.00 36.38 32.43 2ncm s VAL 54 CO 0.01 -0.49 0.48 0.54 0.00 0.00 0.00 175.10 175.64 2ncm s VAL 55 N -2.22 0.02 -0.22 2.92 0.11 -0.77 -4.92 120.40 115.33 2ncm s VAL 55 Ca 0.39 -0.19 0.01 0.00 -2.93 0.00 0.00 61.98 59.26 2ncm s VAL 55 Cb -0.10 -0.75 0.05 0.00 -1.53 0.00 0.00 36.38 34.05 2ncm s VAL 55 CO 0.34 -0.10 -0.09 0.26 -3.33 0.00 0.00 175.10 172.18 2ncm s TRP 56 N -0.80 2.61 0.00 1.54 0.51 -1.26 -1.16 118.94 120.38 2ncm s TRP 56 Ca -0.09 -1.82 0.00 0.00 -2.12 0.00 0.00 56.10 52.08 2ncm s TRP 56 Cb -0.03 -1.69 0.00 0.00 -0.81 0.00 0.00 33.47 30.94 2ncm s TRP 56 CO 0.05 -0.79 0.00 0.09 -0.51 0.00 0.00 176.95 175.79 2ncm n ASN 57 N 4.62 0.00 -3.11 2.95 3.02 -0.80 -5.02 115.26 116.93 2ncm n ASN 57 Ca -0.14 0.00 -0.16 0.00 -0.03 0.00 0.00 54.58 54.25 2ncm n ASN 57 Cb 0.45 -0.15 0.15 0.00 -0.61 0.00 0.00 39.78 39.62 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 -1.96 -3.04 -0.26 6.41 8.00 -1.21 -4.86 116.55 119.63 2ncm n ASP 58 Ca 0.00 -0.49 0.14 0.00 0.71 0.00 0.00 54.79 55.15 2ncm n ASP 58 Cb 0.00 -0.52 0.42 0.00 -0.02 0.00 0.00 41.12 41.00 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 -2.80 0.57 0.00 -2.24 3.32 -2.03 -3.32 116.42 109.93 2ncm h ASP 59 Ca -0.21 0.04 -0.03 0.00 0.02 0.00 0.00 57.03 56.85 2ncm h ASP 59 Cb 0.69 -0.07 -0.05 0.00 0.22 0.00 0.00 39.33 40.13 2ncm h ASP 59 CO 0.13 0.27 -0.24 0.47 -1.72 0.00 0.00 179.24 178.15 2ncm n ASP 60 N -4.56 -0.09 -4.77 6.45 8.00 -1.26 -5.08 116.55 115.24 2ncm n ASP 60 Ca 0.18 -1.46 -0.36 0.00 0.71 0.00 0.00 54.79 53.86 2ncm n ASP 60 Cb 0.55 -0.02 -0.08 0.00 -0.02 0.00 0.00 41.12 41.55 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 -0.53 5.80 0.16 -2.24 0.15 -1.25 -4.41 113.70 111.37 2ncm s SER 61 Ca 0.02 0.29 0.02 0.00 0.70 0.00 0.00 55.95 56.99 2ncm s SER 61 Cb 0.03 -1.79 -0.01 0.00 -1.71 0.00 0.00 66.02 62.54 2ncm s SER 61 CO -0.01 0.38 0.09 -1.20 1.20 0.00 0.00 173.24 173.69 2ncm n SER 62 N 2.17 0.48 -3.65 5.45 7.64 -0.88 -1.90 113.62 122.94 2ncm n SER 62 Ca -0.19 -1.91 -0.15 0.00 1.01 0.00 0.00 58.87 57.63 2ncm n SER 62 Cb 0.54 0.55 -0.08 0.00 -1.01 0.00 0.00 64.21 64.21 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 -2.35 0.01 -0.60 0.44 2.01 -0.31 -1.78 115.64 113.07 2ncm s THR 63 Ca 0.12 -0.10 -0.02 0.00 0.31 0.00 0.00 61.69 62.00 2ncm s THR 63 Cb 0.01 -0.82 0.15 0.00 0.01 0.00 0.00 72.50 71.85 2ncm s THR 63 CO 0.09 -0.06 0.40 -0.22 -0.69 0.00 0.00 174.62 174.14 2ncm s LEU 64 N -0.52 5.15 0.07 4.42 0.20 -0.66 -1.84 118.68 125.50 2ncm s LEU 64 Ca -0.06 -2.81 -0.21 0.00 0.69 0.00 0.00 54.13 51.74 2ncm s LEU 64 Cb -0.03 -1.83 -0.06 0.00 -0.43 0.00 0.00 46.19 43.84 2ncm s LEU 64 CO 0.04 -0.37 0.64 -0.89 -0.29 0.00 0.00 176.35 175.48 2ncm s THR 65 N 0.01 4.72 -0.42 3.68 2.01 -0.68 -1.71 115.64 123.25 2ncm s THR 65 Ca 0.16 1.36 0.02 0.00 0.31 0.00 0.00 61.69 63.54 2ncm s THR 65 Cb -0.21 -3.98 0.15 0.00 0.01 0.00 0.00 72.50 68.47 2ncm s THR 65 CO -0.03 0.49 0.27 -0.63 -0.69 0.00 0.00 174.62 174.03 2ncm s ILE 66 N -0.75 0.83 0.02 1.82 1.01 -0.47 -0.87 121.20 122.80 2ncm s ILE 66 Ca 0.32 -2.38 -0.09 0.00 0.00 0.00 0.00 60.65 58.49 2ncm s ILE 66 Cb -0.20 -1.59 -0.04 0.00 0.01 0.00 0.00 42.46 40.64 2ncm s ILE 66 CO 0.20 -1.01 1.14 1.88 0.00 0.00 0.00 174.94 177.16 2ncm h TYR 67 N 6.52 -0.38 0.63 3.97 0.05 -1.67 -1.73 116.97 124.37 2ncm h TYR 67 Ca 0.08 0.01 -0.03 0.00 0.05 0.00 0.00 58.73 58.84 2ncm h TYR 67 Cb 0.93 0.16 0.01 0.00 1.01 0.00 0.00 36.73 38.83 2ncm h TYR 67 CO 0.44 -0.16 -0.30 -0.97 -1.05 0.00 0.00 178.16 176.11 2ncm h ASN 68 N -0.22 -0.72 -3.51 3.88 -0.00 -1.81 -1.28 115.58 111.91 2ncm h ASN 68 Ca -0.01 0.02 0.00 0.00 -0.00 0.00 0.00 56.30 56.32 2ncm h ASN 68 Cb 0.21 0.19 0.00 0.00 -0.00 0.00 0.00 38.32 38.71 2ncm h ASN 68 CO -0.05 -0.50 -0.32 0.00 -0.00 0.00 0.00 177.43 176.56 2ncm n ALA 69 N -2.43 -2.68 -2.24 1.57 0.00 -1.26 -1.73 120.51 111.75 2ncm n ALA 69 Ca -0.11 0.16 -0.08 0.00 0.00 0.00 0.00 53.44 53.41 2ncm n ALA 69 Cb 0.33 -0.82 -0.09 0.00 0.00 0.00 0.00 19.45 18.87 2ncm n ALA 69 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2ncm s ASN 70 N -0.24 0.33 0.60 0.00 0.01 -1.26 -3.20 114.94 111.19 2ncm s ASN 70 Ca 0.00 -1.01 0.30 0.00 -0.71 0.00 0.00 52.86 51.43 2ncm s ASN 70 Cb 0.00 0.28 1.62 0.00 0.41 0.00 0.00 41.25 43.56 2ncm s ASN 70 CO 0.00 -0.69 2.01 0.16 -1.51 0.00 0.00 177.10 177.07 2ncm h ILE 71 N 2.94 0.34 -0.18 0.60 3.07 -1.95 0.30 117.51 122.63 2ncm h ILE 71 Ca -0.34 0.00 -0.21 0.00 1.55 0.00 0.00 64.86 65.86 2ncm h ILE 71 Cb 1.18 0.74 0.01 0.00 -0.27 0.00 0.00 36.82 38.48 2ncm h ILE 71 CO 0.60 0.00 -0.70 0.44 -1.05 0.00 0.00 178.15 177.45 2ncm h ASP 72 N 0.00 0.92 0.05 2.16 3.32 -1.96 -3.15 116.42 117.77 2ncm h ASP 72 Ca 0.11 -0.61 -0.08 0.00 0.02 0.00 0.00 57.03 56.48 2ncm h ASP 72 Cb 0.73 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 2ncm h ASP 72 CO -0.00 1.38 -0.24 0.44 -1.72 0.00 0.00 179.24 179.09 2ncm h ASP 73 N 0.52 0.32 -1.36 6.45 3.32 -1.36 -3.44 116.42 120.88 2ncm h ASP 73 Ca -0.04 -0.10 -0.68 0.00 0.02 0.00 0.00 57.03 56.23 2ncm h ASP 73 Cb 1.32 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 40.79 2ncm h ASP 73 CO 0.15 0.56 1.21 0.00 -1.72 0.00 0.00 179.24 179.44 2ncm n ALA 74 N -2.48 0.66 0.00 3.45 0.00 -0.90 -4.84 120.51 116.39 2ncm n ALA 74 Ca -0.01 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.57 2ncm n ALA 74 Cb 0.37 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 17.38 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 5.52 0.60 3.55 0.00 0.00 1.00 -4.91 105.19 110.96 2ncm n GLY 75 Ca 0.34 -0.95 -0.39 0.00 0.00 0.00 0.00 46.02 45.02 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 3.68 1.22 -0.61 1.01 -1.26 -1.67 121.20 121.58 2ncm s ILE 76 Ca 0.00 -0.06 -0.20 0.00 0.00 0.00 0.00 60.65 60.39 2ncm s ILE 76 Cb 0.00 -4.67 0.30 0.00 0.01 0.00 0.00 42.46 38.09 2ncm s ILE 76 CO 0.00 -1.60 1.12 -0.31 0.00 0.00 0.00 174.94 174.15 2ncm s TYR 77 N 6.65 0.29 0.04 3.97 1.51 -0.56 -3.42 117.35 125.83 2ncm s TYR 77 Ca 0.48 0.41 -0.01 0.00 -1.01 0.00 0.00 57.07 56.94 2ncm s TYR 77 Cb -0.06 -3.51 -0.03 0.00 -0.11 0.00 0.00 41.96 38.24 2ncm s TYR 77 CO 0.07 -3.97 -0.01 0.21 -1.11 0.00 0.00 175.55 170.74 2ncm s LYS 78 N -5.50 0.52 -0.27 -0.62 2.20 0.15 -2.14 119.74 114.09 2ncm s LYS 78 Ca 0.72 -0.96 -0.03 0.00 -0.36 0.00 0.00 55.97 55.33 2ncm s LYS 78 Cb -0.08 0.19 0.11 0.00 -1.51 0.00 0.00 37.83 36.53 2ncm s LYS 78 CO 0.56 -0.10 0.19 0.00 -0.36 0.00 0.00 175.35 175.64 2ncm s VAL 80 N 2.22 4.71 -0.03 0.00 1.01 -0.64 -0.28 120.40 127.39 2ncm s VAL 80 Ca 0.08 -0.09 0.06 0.00 0.00 0.00 0.00 61.98 62.03 2ncm s VAL 80 Cb -0.15 -3.01 -0.01 0.00 0.00 0.00 0.00 36.38 33.20 2ncm s VAL 80 CO -0.30 0.61 -0.23 -0.69 0.00 0.00 0.00 175.10 174.49 2ncm s VAL 81 N -0.91 1.83 0.10 2.92 1.01 -0.65 0.30 120.40 125.01 2ncm s VAL 81 Ca 0.14 -0.97 0.07 0.00 0.00 0.00 0.00 61.98 61.21 2ncm s VAL 81 Cb -0.12 -1.54 -0.03 0.00 0.00 0.00 0.00 36.38 34.69 2ncm s VAL 81 CO 0.03 0.52 -0.17 -0.89 0.00 0.00 0.00 175.10 174.58 2ncm s THR 82 N -0.35 1.42 0.24 3.92 2.01 -0.69 -0.57 115.64 121.62 2ncm s THR 82 Ca 0.03 -1.49 0.02 0.00 0.31 0.00 0.00 61.69 60.56 2ncm s THR 82 Cb -0.11 -1.37 0.04 0.00 0.01 0.00 0.00 72.50 71.07 2ncm s THR 82 CO 0.01 -0.19 0.33 0.00 -0.69 0.00 0.00 174.62 174.07 2ncm n ALA 83 N 1.04 0.34 0.02 7.40 0.00 -0.03 -1.72 120.51 127.56 2ncm n ALA 83 Ca -0.19 -0.77 -0.12 0.00 0.00 0.00 0.00 53.44 52.36 2ncm n ALA 83 Cb 0.54 0.18 -0.09 0.00 0.00 0.00 0.00 19.45 20.09 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 -0.13 -0.41 0.00 4.81 -1.90 -3.32 114.58 113.63 2ncm h GLU 84 Ca -0.11 0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.05 2ncm h GLU 84 Cb 0.47 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 2ncm h GLU 84 CO 0.14 0.38 -0.05 0.38 -0.73 0.00 0.00 179.01 179.13 2ncm h ASP 85 N -0.79 0.67 0.00 1.04 2.03 -2.03 -3.47 116.42 113.88 2ncm h ASP 85 Ca -0.01 -0.17 0.00 0.00 -0.73 0.00 0.00 57.03 56.11 2ncm h ASP 85 Cb 0.57 -0.18 0.00 0.00 -0.83 0.00 0.00 39.33 38.89 2ncm h ASP 85 CO 0.02 0.78 0.00 0.61 -1.03 0.00 0.00 179.24 179.62 2ncm n GLY 86 N -0.61 0.64 3.56 7.15 0.00 -1.25 -5.11 105.19 109.56 2ncm n GLY 86 Ca 0.02 0.00 -0.44 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 0.27 -5.23 2.61 -1.04 -1.26 -4.51 114.28 105.12 2ncm n THR 87 Ca 0.00 -0.45 -0.32 0.00 -2.04 0.00 0.00 64.05 61.25 2ncm n THR 87 Cb 0.00 -2.38 -0.16 0.00 -1.82 0.00 0.00 70.33 65.97 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 6.53 2.67 -0.25 -2.82 -2.07 -1.26 -0.85 119.66 121.62 2ncm s GLN 88 Ca 1.03 -0.89 -0.05 0.00 -1.82 0.00 0.00 55.36 53.63 2ncm s GLN 88 Cb -0.44 -2.21 0.00 0.00 -1.09 0.00 0.00 33.01 29.27 2ncm s GLN 88 CO 0.37 0.34 -0.00 0.45 -1.32 0.00 0.00 175.29 175.14 2ncm s SER 89 N -0.07 4.62 0.50 12.60 0.15 0.26 -4.92 113.70 126.84 2ncm s SER 89 Ca -0.06 -0.55 0.06 0.00 0.70 0.00 0.00 55.95 56.10 2ncm s SER 89 Cb -0.15 -1.78 0.06 0.00 -1.71 0.00 0.00 66.02 62.44 2ncm s SER 89 CO 0.05 -0.09 0.51 -1.84 1.20 0.00 0.00 173.24 173.07 2ncm n GLU 90 N 4.80 0.72 -4.02 5.44 0.28 -1.26 -1.63 120.64 124.97 2ncm n GLU 90 Ca -0.17 -2.92 -0.11 0.00 -0.16 0.00 0.00 57.16 53.81 2ncm n GLU 90 Cb 0.49 0.10 -0.05 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 -2.66 0.07 0.02 -1.84 0.00 0.61 -4.78 121.76 113.19 2ncm s ALA 91 Ca 0.39 -1.08 -0.14 0.00 0.00 0.00 0.00 51.96 51.12 2ncm s ALA 91 Cb -0.03 1.09 0.02 0.00 0.00 0.00 0.00 23.12 24.21 2ncm s ALA 91 CO 0.25 -0.83 0.31 0.95 0.00 0.00 0.00 175.76 176.44 2ncm s THR 92 N -3.72 0.07 -0.16 0.00 -4.23 -1.26 -1.98 115.64 104.36 2ncm s THR 92 Ca 0.25 -0.60 -0.04 0.00 -1.18 0.00 0.00 61.69 60.12 2ncm s THR 92 Cb -0.00 -0.83 0.06 0.00 1.34 0.00 0.00 72.50 73.07 2ncm s THR 92 CO 0.12 -0.33 0.12 0.54 -0.54 0.00 0.00 174.62 174.53 2ncm s VAL 93 N -2.14 -0.15 -0.93 2.29 0.11 -0.91 -4.73 120.40 113.95 2ncm s VAL 93 Ca -0.08 -0.06 -0.24 0.00 -2.93 0.00 0.00 61.98 58.67 2ncm s VAL 93 Cb -0.02 -0.53 -0.04 0.00 -1.53 0.00 0.00 36.38 34.26 2ncm s VAL 93 CO -0.01 -0.19 1.90 0.21 -3.33 0.00 0.00 175.10 173.69 2ncm s ASN 94 N 2.19 5.26 0.07 3.54 2.47 -0.42 -1.50 114.94 126.55 2ncm s ASN 94 Ca 0.03 -0.80 -0.22 0.00 0.42 0.00 0.00 52.86 52.30 2ncm s ASN 94 Cb -0.15 -2.56 -0.07 0.00 -1.45 0.00 0.00 41.25 37.02 2ncm s ASN 94 CO -0.09 -2.65 0.65 -0.69 -3.72 0.00 0.00 177.10 170.61 2ncm s VAL 95 N 9.66 4.69 0.21 -5.21 1.01 -0.67 -0.64 120.40 129.45 2ncm s VAL 95 Ca 0.68 1.40 0.10 0.00 0.00 0.00 0.00 61.98 64.16 2ncm s VAL 95 Cb -0.06 -3.99 -0.05 0.00 0.00 0.00 0.00 36.38 32.28 2ncm s VAL 95 CO -0.01 0.49 -0.19 -0.75 0.00 0.00 0.00 175.10 174.64 2ncm s LYS 96 N -0.76 1.44 -0.10 2.72 2.20 0.04 -0.00 119.74 125.28 2ncm s LYS 96 Ca 0.32 -1.56 -0.08 0.00 -0.36 0.00 0.00 55.97 54.30 2ncm s LYS 96 Cb -0.20 -1.53 0.03 0.00 -1.51 0.00 0.00 37.83 34.62 2ncm s LYS 96 CO 0.21 0.30 0.26 0.42 -0.36 0.00 0.00 175.35 176.18 2ncm s ILE 97 N -2.22 -0.02 -0.04 5.43 1.01 -1.26 -2.11 121.20 122.00 2ncm s ILE 97 Ca 0.22 0.06 0.02 0.00 0.00 0.00 0.00 60.65 60.94 2ncm s ILE 97 Cb -0.05 -0.38 0.01 0.00 0.01 0.00 0.00 42.46 42.05 2ncm s ILE 97 CO 0.09 0.02 -0.08 0.72 0.00 0.00 0.00 174.94 175.70 2ncm s PHE 98 N 0.59 0.92 -2.73 3.97 -0.71 -0.79 -4.67 117.98 114.56 2ncm s PHE 98 Ca -0.04 -0.25 0.26 0.00 -1.04 0.00 0.00 56.93 55.86 2ncm s PHE 98 Cb -0.05 -0.70 0.65 0.00 -1.21 0.00 0.00 43.02 41.71 2ncm s PHE 98 CO -0.03 -0.14 1.52 0.00 -1.34 0.00 0.00 175.22 175.22