#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ncm s VAL 2 N 0.00 5.11 -0.44 5.15 -7.23 -1.26 -4.81 120.40 116.92 2ncm s VAL 2 Ca 0.00 -2.30 0.07 0.00 -1.81 0.00 0.00 61.98 57.94 2ncm s VAL 2 Cb 0.00 -4.77 0.26 0.00 0.56 0.00 0.00 36.38 32.43 2ncm s VAL 2 CO 0.00 -1.45 0.74 0.18 -0.31 0.00 0.00 175.10 174.26 2ncm n LEU 3 N 5.42 -1.37 -4.78 1.32 4.77 -1.26 -3.93 117.00 117.18 2ncm n LEU 3 Ca 0.27 -4.01 -0.39 0.00 -0.03 0.00 0.00 56.01 51.85 2ncm n LEU 3 Cb 0.45 0.75 -0.06 0.00 -2.33 0.00 0.00 43.42 42.24 2ncm n LEU 3 CO 0.52 2.05 0.44 -1.58 -1.33 0.00 0.00 177.39 177.49 2ncm s GLN 4 N -0.29 4.49 -0.09 3.23 -0.44 -0.76 -4.67 119.66 121.12 2ncm s GLN 4 Ca 0.33 1.06 -0.06 0.00 -2.50 0.00 0.00 55.36 54.20 2ncm s GLN 4 Cb 0.21 -3.27 0.03 0.00 -1.64 0.00 0.00 33.01 28.35 2ncm s GLN 4 CO -0.17 0.56 0.21 0.08 0.50 0.00 0.00 175.29 176.48 2ncm s VAL 5 N -1.04 -0.02 -0.22 1.34 1.01 -1.26 -1.78 120.40 118.42 2ncm s VAL 5 Ca 0.35 0.08 -0.08 0.00 0.00 0.00 0.00 61.98 62.32 2ncm s VAL 5 Cb -0.22 -0.32 0.10 0.00 0.00 0.00 0.00 36.38 35.93 2ncm s VAL 5 CO 0.24 0.03 0.49 -1.81 0.00 0.00 0.00 175.10 174.05 2ncm s ASP 6 N 0.67 -0.53 0.05 3.32 1.01 -0.86 -4.78 116.67 115.55 2ncm s ASP 6 Ca -0.05 1.15 -0.19 0.00 0.71 0.00 0.00 52.55 54.17 2ncm s ASP 6 Cb -0.06 1.51 -0.06 0.00 1.01 0.00 0.00 42.92 45.31 2ncm s ASP 6 CO -0.04 -0.23 0.55 -0.63 0.21 0.00 0.00 175.17 175.04 2ncm s ILE 7 N 2.48 4.81 -0.09 0.77 1.01 -1.26 -1.83 121.20 127.09 2ncm s ILE 7 Ca -0.04 1.17 0.03 0.00 0.00 0.00 0.00 60.65 61.81 2ncm s ILE 7 Cb -0.11 -3.88 0.01 0.00 0.01 0.00 0.00 42.46 38.48 2ncm s ILE 7 CO -0.15 0.53 -0.20 -0.69 0.00 0.00 0.00 174.94 174.44 2ncm s VAL 8 N -0.92 1.75 0.75 2.92 1.01 -0.64 -3.77 120.40 121.50 2ncm s VAL 8 Ca 0.29 -0.83 -0.12 0.00 0.00 0.00 0.00 61.98 61.32 2ncm s VAL 8 Cb -0.19 -1.53 0.04 0.00 0.00 0.00 0.00 36.38 34.70 2ncm s VAL 8 CO 0.18 0.49 1.13 -2.16 0.00 0.00 0.00 175.10 174.74 2ncm s PRO 9 N 0.51 2.46 0.19 2.72 0.04 -1.26 -1.50 135.00 138.15 2ncm s PRO 9 Ca -0.16 0.34 -0.10 0.00 0.04 0.00 0.00 61.00 61.12 2ncm s PRO 9 Cb -0.17 -1.99 0.10 0.00 0.04 0.00 0.00 34.50 32.48 2ncm s PRO 9 CO 0.06 -1.29 1.72 0.66 0.04 0.00 0.00 177.00 178.19 2ncm h SER 10 N -0.84 0.97 -3.29 6.66 4.64 -1.94 -3.40 113.55 116.35 2ncm h SER 10 Ca -0.46 -0.21 -0.52 0.00 -0.47 0.00 0.00 61.79 60.14 2ncm h SER 10 Cb 1.28 -0.25 -0.40 0.00 -0.31 0.00 0.00 62.40 62.72 2ncm h SER 10 CO 0.64 0.92 -0.77 0.00 -0.87 0.00 0.00 176.83 176.76 2ncm s GLN 11 N -5.40 0.73 -0.42 4.77 -2.07 -1.26 -1.57 119.66 114.43 2ncm s GLN 11 Ca -0.12 -0.42 -0.06 0.00 -1.82 0.00 0.00 55.36 52.93 2ncm s GLN 11 Cb 0.14 -2.07 0.10 0.00 -1.09 0.00 0.00 33.01 30.09 2ncm s GLN 11 CO 0.83 -0.61 0.24 0.20 -1.32 0.00 0.00 175.29 174.63 2ncm s GLY 12 N 1.83 1.98 0.01 2.60 0.00 -0.67 -5.00 107.32 108.07 2ncm s GLY 12 Ca -0.01 -2.38 -0.22 0.00 0.00 0.00 0.00 44.72 42.12 2ncm s GLY 12 CO -0.08 1.01 0.64 -0.54 0.00 0.00 0.00 173.10 174.13 2ncm s GLU 13 N 1.28 4.36 0.14 2.90 2.02 -1.26 -1.81 118.70 126.33 2ncm s GLU 13 Ca 0.05 0.82 -0.08 0.00 0.02 0.00 0.00 54.97 55.78 2ncm s GLU 13 Cb -0.24 -3.35 -0.01 0.00 0.10 0.00 0.00 34.13 30.64 2ncm s GLU 13 CO -0.01 0.35 0.23 0.42 0.02 0.00 0.00 175.26 176.26 2ncm s ILE 14 N -0.17 0.09 0.15 -1.63 1.09 -0.71 -4.96 121.20 115.07 2ncm s ILE 14 Ca 0.33 -1.39 0.03 0.00 -1.10 0.00 0.00 60.65 58.52 2ncm s ILE 14 Cb -0.19 -1.71 -0.04 0.00 -1.06 0.00 0.00 42.46 39.47 2ncm s ILE 14 CO 0.19 -0.43 0.25 -0.94 -0.10 0.00 0.00 174.94 173.90 2ncm s SER 15 N -2.94 6.17 0.33 3.58 1.04 -1.26 -1.87 113.70 118.74 2ncm s SER 15 Ca 0.14 0.11 -0.29 0.00 0.48 0.00 0.00 55.95 56.40 2ncm s SER 15 Cb 0.04 -1.81 -0.11 0.00 0.10 0.00 0.00 66.02 64.24 2ncm s SER 15 CO -0.03 0.06 1.45 -0.69 0.98 0.00 0.00 173.24 175.01 2ncm s VAL 16 N -1.72 2.34 0.00 5.02 1.01 -0.78 -1.99 120.40 124.28 2ncm s VAL 16 Ca 0.34 0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.64 2ncm s VAL 16 Cb -0.11 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 33.06 2ncm s VAL 16 CO 0.27 0.07 0.00 0.61 0.00 0.00 0.00 175.10 176.05 2ncm n GLY 17 N 1.15 1.10 3.87 4.51 0.00 -1.03 -4.92 105.19 109.88 2ncm n GLY 17 Ca 0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.60 3.16 0.36 1.61 0.41 -0.84 -4.69 118.70 118.11 2ncm s GLU 18 Ca 0.00 -0.77 -0.01 0.00 -0.41 0.00 0.00 54.97 53.78 2ncm s GLU 18 Cb 0.00 -2.78 -0.04 0.00 -1.78 0.00 0.00 34.13 29.53 2ncm s GLU 18 CO 0.00 0.49 0.59 -1.54 -0.49 0.00 0.00 175.26 174.31 2ncm s SER 19 N -3.30 6.30 -0.25 -0.19 1.04 -1.19 -2.50 113.70 113.62 2ncm s SER 19 Ca 0.33 0.56 -0.08 0.00 0.48 0.00 0.00 55.95 57.23 2ncm s SER 19 Cb -0.10 -2.08 0.11 0.00 0.10 0.00 0.00 66.02 64.05 2ncm s SER 19 CO 0.26 -0.33 0.54 -1.59 0.98 0.00 0.00 173.24 173.09 2ncm s LYS 20 N -4.31 0.46 -0.04 4.02 -2.85 -0.55 -4.96 119.74 111.49 2ncm s LYS 20 Ca 0.42 1.26 0.04 0.00 -1.00 0.00 0.00 55.97 56.68 2ncm s LYS 20 Cb -0.10 0.62 -0.03 0.00 -2.06 0.00 0.00 37.83 36.26 2ncm s LYS 20 CO 0.37 -0.22 -0.15 -0.59 0.10 0.00 0.00 175.35 174.85 2ncm s PHE 21 N 2.76 2.66 -0.28 1.78 -0.12 -1.26 -0.78 117.98 122.75 2ncm s PHE 21 Ca -0.04 -0.18 0.00 0.00 -0.05 0.00 0.00 56.93 56.66 2ncm s PHE 21 Cb -0.12 -1.61 0.05 0.00 -0.63 0.00 0.00 43.02 40.71 2ncm s PHE 21 CO -0.16 0.17 -0.06 -0.06 -0.05 0.00 0.00 175.22 175.06 2ncm s PHE 22 N -0.73 3.24 -0.54 3.49 0.40 -0.77 -4.76 117.98 118.31 2ncm s PHE 22 Ca 0.12 -2.04 -0.28 0.00 -0.60 0.00 0.00 56.93 54.13 2ncm s PHE 22 Cb -0.11 -2.02 0.03 0.00 0.51 0.00 0.00 43.02 41.43 2ncm s PHE 22 CO 0.01 -0.83 1.23 -1.17 0.70 0.00 0.00 175.22 175.16 2ncm s LEU 23 N 1.19 3.49 -0.52 -0.37 2.96 -0.56 -1.82 118.68 123.06 2ncm s LEU 23 Ca -0.06 0.27 -0.22 0.00 -0.22 0.00 0.00 54.13 53.90 2ncm s LEU 23 Cb -0.19 -3.27 0.04 0.00 0.50 0.00 0.00 46.19 43.27 2ncm s LEU 23 CO -0.03 -1.46 0.79 0.00 -1.32 0.00 0.00 176.35 174.32 2ncm s GLN 25 N 3.33 3.01 0.25 0.00 -0.21 -0.76 -1.99 119.66 123.28 2ncm s GLN 25 Ca 0.24 -0.68 -0.00 0.00 0.02 0.00 0.00 55.36 54.94 2ncm s GLN 25 Cb -0.15 -2.62 -0.03 0.00 1.00 0.00 0.00 33.01 31.21 2ncm s GLN 25 CO 0.17 -0.24 0.24 0.14 -2.12 0.00 0.00 175.29 173.47 2ncm s VAL 26 N -2.48 0.00 -0.39 1.09 -7.23 -1.26 -2.04 120.40 108.09 2ncm s VAL 26 Ca 0.49 -1.90 0.07 0.00 -1.81 0.00 0.00 61.98 58.83 2ncm s VAL 26 Cb -0.10 -2.48 0.18 0.00 0.56 0.00 0.00 36.38 34.54 2ncm s VAL 26 CO 0.36 0.00 0.60 0.00 -0.31 0.00 0.00 175.10 175.75 2ncm s ALA 27 N -3.85 -2.19 -0.30 1.32 0.00 -0.74 -4.94 121.76 111.06 2ncm s ALA 27 Ca 0.37 0.19 -0.20 0.00 0.00 0.00 0.00 51.96 52.32 2ncm s ALA 27 Cb 0.04 -2.65 0.21 0.00 0.00 0.00 0.00 23.12 20.72 2ncm s ALA 27 CO 0.17 -2.17 1.38 0.20 0.00 0.00 0.00 175.76 175.33 2ncm s GLY 28 N 1.91 0.59 -0.48 0.00 0.00 -1.26 -1.83 107.32 106.24 2ncm s GLY 28 Ca 0.15 3.81 0.02 0.00 0.00 0.00 0.00 44.72 48.71 2ncm s GLY 28 CO -0.09 2.44 1.62 1.34 0.00 0.00 0.00 173.10 178.41 2ncm n ASP 29 N 2.37 6.34 -4.57 1.64 2.03 -1.26 -4.91 116.55 118.20 2ncm n ASP 29 Ca -0.14 -3.77 -0.35 0.00 0.52 0.00 0.00 54.79 51.05 2ncm n ASP 29 Cb 0.56 -0.66 -0.04 0.00 -0.72 0.00 0.00 41.12 40.27 2ncm n ASP 29 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2ncm s ALA 30 N -3.72 2.37 0.00 -1.67 0.00 -1.25 -4.86 121.76 112.63 2ncm s ALA 30 Ca 0.58 -2.12 0.00 0.00 0.00 0.00 0.00 51.96 50.42 2ncm s ALA 30 Cb 0.46 -4.57 0.00 0.00 0.00 0.00 0.00 23.12 19.01 2ncm s ALA 30 CO 0.01 -4.14 0.00 0.36 0.00 0.00 0.00 175.76 171.99 2ncm n LYS 31 N 8.73 0.00 -4.73 0.00 0.00 -1.26 -4.21 118.16 116.70 2ncm n LYS 31 Ca 0.39 0.00 -0.24 0.00 -0.00 0.00 0.00 58.31 58.46 2ncm n LYS 31 Cb 0.48 0.00 -0.15 0.00 -0.00 0.00 0.00 35.03 35.36 2ncm n LYS 31 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2ncm s ASP 32 N -4.00 1.84 0.22 -5.58 1.11 -1.26 -5.08 116.67 103.92 2ncm s ASP 32 Ca 0.00 -0.29 0.04 0.00 0.18 0.00 0.00 52.55 52.48 2ncm s ASP 32 Cb 0.00 -0.29 -0.05 0.00 1.07 0.00 0.00 42.92 43.65 2ncm s ASP 32 CO 0.00 0.17 -0.03 -0.54 1.18 0.00 0.00 175.17 175.95 2ncm s LYS 33 N -0.24 1.31 0.17 8.23 1.02 -1.26 -2.55 119.74 126.41 2ncm s LYS 33 Ca 0.03 -1.64 0.00 0.00 0.02 0.00 0.00 55.97 54.38 2ncm s LYS 33 Cb -0.07 -0.68 -0.04 0.00 -0.52 0.00 0.00 37.83 36.51 2ncm s LYS 33 CO 0.00 -0.04 0.05 0.34 -0.92 0.00 0.00 175.35 174.78 2ncm s ASP 34 N -3.29 0.68 0.10 2.83 2.15 -0.56 -4.95 116.67 113.62 2ncm s ASP 34 Ca 0.26 -1.24 0.07 0.00 0.43 0.00 0.00 52.55 52.08 2ncm s ASP 34 Cb 0.05 0.23 -0.03 0.00 -0.30 0.00 0.00 42.92 42.87 2ncm s ASP 34 CO 0.07 -0.69 -0.19 -0.63 -0.17 0.00 0.00 175.17 173.57 2ncm s ILE 35 N -3.90 1.52 0.13 4.11 1.09 -1.26 -1.96 121.20 120.92 2ncm s ILE 35 Ca 0.27 -1.49 -0.09 0.00 -1.10 0.00 0.00 60.65 58.24 2ncm s ILE 35 Cb 0.07 -1.42 -0.00 0.00 -1.06 0.00 0.00 42.46 40.05 2ncm s ILE 35 CO 0.05 -0.13 0.26 -0.44 -0.10 0.00 0.00 174.94 174.58 2ncm s SER 36 N -1.89 0.05 -0.01 3.58 0.01 0.11 -4.96 113.70 110.59 2ncm s SER 36 Ca 0.04 -0.74 0.00 0.00 1.31 0.00 0.00 55.95 56.56 2ncm s SER 36 Cb -0.10 0.40 0.01 0.00 0.21 0.00 0.00 66.02 66.55 2ncm s SER 36 CO 0.04 -0.83 -0.00 0.26 0.41 0.00 0.00 173.24 173.11 2ncm s TRP 37 N -3.91 0.20 -0.16 2.43 0.52 -1.26 -1.53 118.94 115.23 2ncm s TRP 37 Ca 0.11 0.01 -0.01 0.00 0.02 0.00 0.00 56.10 56.23 2ncm s TRP 37 Cb 0.04 -0.24 0.04 0.00 -1.15 0.00 0.00 33.47 32.15 2ncm s TRP 37 CO -0.05 -0.06 -0.05 -0.06 0.02 0.00 0.00 176.95 176.74 2ncm s PHE 38 N 0.53 1.67 0.71 -1.98 0.40 -0.85 -1.74 117.98 116.72 2ncm s PHE 38 Ca -0.05 -1.04 -0.15 0.00 -0.60 0.00 0.00 56.93 55.09 2ncm s PHE 38 Cb -0.08 -1.30 0.03 0.00 0.51 0.00 0.00 43.02 42.18 2ncm s PHE 38 CO -0.01 -0.60 1.17 -1.54 0.70 0.00 0.00 175.22 174.93 2ncm s SER 39 N 1.64 4.50 0.20 1.36 1.04 0.16 -0.49 113.70 122.11 2ncm s SER 39 Ca 0.01 2.22 0.09 0.00 0.48 0.00 0.00 55.95 58.75 2ncm s SER 39 Cb -0.15 -2.57 0.48 0.00 0.10 0.00 0.00 66.02 63.87 2ncm s SER 39 CO -0.08 -2.05 1.15 -0.81 0.98 0.00 0.00 173.24 172.43 2ncm n PRO 40 N -2.64 0.06 0.00 4.02 -0.04 -1.25 -1.53 135.00 133.62 2ncm n PRO 40 Ca 0.12 0.48 0.14 0.00 -0.04 0.00 0.00 63.50 64.20 2ncm n PRO 40 Cb 0.51 -1.91 0.82 0.00 -0.04 0.00 0.00 33.50 32.88 2ncm n PRO 40 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2ncm n ASN 41 N -1.79 0.00 -0.34 3.54 5.15 -1.26 -4.86 115.26 115.70 2ncm n ASN 41 Ca -0.01 -0.86 0.00 0.00 -0.60 0.00 0.00 54.58 53.11 2ncm n ASN 41 Cb 0.23 -0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.48 2ncm n ASN 41 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2ncm n GLY 42 N 0.74 0.97 3.74 8.20 0.00 -0.58 -5.08 105.19 113.17 2ncm n GLY 42 Ca 0.21 -0.48 -0.08 0.00 0.00 0.00 0.00 46.02 45.67 2ncm n GLY 42 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ncm s GLU 43 N -3.46 1.71 0.57 1.61 2.02 -1.13 -5.02 118.70 115.00 2ncm s GLU 43 Ca 0.00 -1.13 -0.07 0.00 0.02 0.00 0.00 54.97 53.79 2ncm s GLU 43 Cb 0.00 0.55 -0.01 0.00 0.10 0.00 0.00 34.13 34.77 2ncm s GLU 43 CO 0.00 -0.76 0.90 0.21 0.02 0.00 0.00 175.26 175.63 2ncm s LYS 44 N -3.88 3.24 -0.07 1.61 2.20 -1.26 0.41 119.74 121.98 2ncm s LYS 44 Ca 0.16 0.23 0.04 0.00 -0.36 0.00 0.00 55.97 56.04 2ncm s LYS 44 Cb -0.04 -2.26 -0.02 0.00 -1.51 0.00 0.00 37.83 34.01 2ncm s LYS 44 CO 0.08 -0.54 -0.19 -0.51 -0.36 0.00 0.00 175.35 173.83 2ncm s LEU 45 N -4.97 2.40 0.79 5.43 1.02 -0.71 -4.67 118.68 117.98 2ncm s LEU 45 Ca 0.52 -0.38 -0.10 0.00 0.02 0.00 0.00 54.13 54.19 2ncm s LEU 45 Cb -0.11 -1.48 0.10 0.00 0.02 0.00 0.00 46.19 44.72 2ncm s LEU 45 CO 0.47 0.25 1.13 -0.44 0.02 0.00 0.00 176.35 177.78 2ncm s SER 46 N -0.17 4.38 0.11 2.29 0.01 -1.26 -4.80 113.70 114.26 2ncm s SER 46 Ca -0.02 0.51 -0.11 0.00 1.31 0.00 0.00 55.95 57.64 2ncm s SER 46 Cb -0.14 -0.98 -0.12 0.00 0.21 0.00 0.00 66.02 64.99 2ncm s SER 46 CO 0.03 -1.93 1.32 -0.65 0.41 0.00 0.00 173.24 172.43 2ncm h PRO 47 N -0.95 0.73 -1.94 12.44 0.11 -1.89 -3.39 132.00 137.11 2ncm h PRO 47 Ca -0.45 -0.60 -0.53 0.00 0.11 0.00 0.00 66.00 64.53 2ncm h PRO 47 Cb 1.31 0.13 -0.36 0.00 0.11 0.00 0.00 31.00 32.18 2ncm h PRO 47 CO 0.58 1.21 -0.99 0.09 -0.21 0.00 0.00 178.00 178.68 2ncm n ASN 48 N -3.92 -0.46 -0.11 -2.05 3.02 -1.26 -3.43 115.26 107.05 2ncm n ASN 48 Ca -0.07 -2.63 -0.23 0.00 -0.03 0.00 0.00 54.58 51.62 2ncm n ASN 48 Cb 0.75 -0.32 -0.08 0.00 -0.61 0.00 0.00 39.78 39.51 2ncm n ASN 48 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ncm n GLN 49 N 2.02 0.49 0.00 3.52 -0.00 -1.26 -5.10 117.38 117.05 2ncm n GLN 49 Ca 0.23 0.20 0.00 0.00 -0.00 0.00 0.00 57.00 57.43 2ncm n GLN 49 Cb 0.52 -1.32 0.00 0.00 -0.00 0.00 0.00 30.24 29.44 2ncm n GLN 49 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 2ncm n GLN 50 N -3.91 0.00 0.12 2.61 1.13 -1.26 -5.01 117.38 111.06 2ncm n GLN 50 Ca -0.44 0.00 0.20 0.00 -1.94 0.00 0.00 57.00 54.82 2ncm n GLN 50 Cb 0.83 0.00 0.70 0.00 0.11 0.00 0.00 30.24 31.88 2ncm n GLN 50 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2ncm h ARG 51 N 0.00 0.00 -6.45 -1.09 -0.00 -1.97 -3.39 114.38 101.48 2ncm h ARG 51 Ca 0.00 0.00 -0.57 0.00 -0.50 0.00 0.00 59.98 58.91 2ncm h ARG 51 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 29.97 29.91 2ncm h ARG 51 CO 0.00 0.00 0.91 0.42 0.00 0.00 0.00 179.97 181.30 2ncm s ILE 52 N -4.46 4.31 -0.21 2.04 1.01 -1.26 -2.03 121.20 120.60 2ncm s ILE 52 Ca -0.04 1.45 0.00 0.00 0.00 0.00 0.00 60.65 62.07 2ncm s ILE 52 Cb 0.13 -4.41 0.02 0.00 0.01 0.00 0.00 42.46 38.21 2ncm s ILE 52 CO 0.46 -0.65 -0.14 -0.55 0.00 0.00 0.00 174.94 174.06 2ncm s SER 53 N 2.24 3.66 0.33 3.58 0.15 -0.30 -4.33 113.70 119.03 2ncm s SER 53 Ca 0.49 -0.74 -0.01 0.00 0.70 0.00 0.00 55.95 56.39 2ncm s SER 53 Cb -0.12 -1.56 -0.04 0.00 -1.71 0.00 0.00 66.02 62.60 2ncm s SER 53 CO 0.23 -0.05 0.55 -0.69 1.20 0.00 0.00 173.24 174.47 2ncm s VAL 54 N 1.30 5.09 0.08 4.45 1.01 -1.22 -1.69 120.40 129.43 2ncm s VAL 54 Ca 0.03 -0.36 -0.21 0.00 0.00 0.00 0.00 61.98 61.44 2ncm s VAL 54 Cb -0.15 -3.83 0.05 0.00 0.00 0.00 0.00 36.38 32.45 2ncm s VAL 54 CO -0.09 -0.51 0.51 0.54 0.00 0.00 0.00 175.10 175.55 2ncm s VAL 55 N -2.27 0.03 -0.12 2.92 0.11 -0.78 -4.87 120.40 115.43 2ncm s VAL 55 Ca 0.41 -0.27 -0.01 0.00 -2.93 0.00 0.00 61.98 59.18 2ncm s VAL 55 Cb -0.10 -1.02 0.03 0.00 -1.53 0.00 0.00 36.38 33.76 2ncm s VAL 55 CO 0.35 -0.15 -0.06 0.26 -3.33 0.00 0.00 175.10 172.17 2ncm s TRP 56 N -2.95 1.45 0.00 1.54 0.51 -1.26 -1.42 118.94 116.81 2ncm s TRP 56 Ca -0.02 -0.76 0.00 0.00 -2.12 0.00 0.00 56.10 53.19 2ncm s TRP 56 Cb -0.00 -1.21 0.00 0.00 -0.81 0.00 0.00 33.47 31.45 2ncm s TRP 56 CO -0.06 -0.52 0.00 0.27 -0.51 0.00 0.00 176.95 176.13 2ncm n ASN 57 N 4.95 0.00 -3.28 2.95 0.23 -0.87 -5.02 115.26 114.21 2ncm n ASN 57 Ca -0.12 0.00 -0.17 0.00 -0.53 0.00 0.00 54.58 53.76 2ncm n ASN 57 Cb 0.50 -0.03 0.17 0.00 -2.08 0.00 0.00 39.78 38.34 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 -1.50 -3.14 -0.31 0.53 8.00 -1.22 -4.83 116.55 114.08 2ncm n ASP 58 Ca 0.00 -0.50 0.15 0.00 0.71 0.00 0.00 54.79 55.16 2ncm n ASP 58 Cb 0.00 -0.67 0.40 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 -2.89 0.63 0.00 -2.24 5.19 -2.02 -3.31 116.42 111.78 2ncm h ASP 59 Ca -0.22 0.07 -0.09 0.00 -0.62 0.00 0.00 57.03 56.17 2ncm h ASP 59 Cb 0.76 -0.04 -0.12 0.00 0.18 0.00 0.00 39.33 40.11 2ncm h ASP 59 CO 0.13 0.24 -0.33 0.47 -3.12 0.00 0.00 179.24 176.63 2ncm n ASP 60 N -4.65 -0.32 -4.66 6.45 8.00 -1.26 -5.02 116.55 115.10 2ncm n ASP 60 Ca 0.22 -1.70 -0.34 0.00 0.71 0.00 0.00 54.79 53.67 2ncm n ASP 60 Cb 0.62 0.08 -0.10 0.00 -0.02 0.00 0.00 41.12 41.70 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 -0.84 5.07 0.07 -2.24 0.15 -1.25 -4.58 113.70 110.08 2ncm s SER 61 Ca 0.05 0.07 0.01 0.00 0.70 0.00 0.00 55.95 56.78 2ncm s SER 61 Cb 0.06 -1.37 -0.00 0.00 -1.71 0.00 0.00 66.02 62.99 2ncm s SER 61 CO -0.02 0.36 0.03 -1.20 1.20 0.00 0.00 173.24 173.60 2ncm n SER 62 N 2.01 1.06 -3.68 5.45 7.64 -0.84 -2.06 113.62 123.19 2ncm n SER 62 Ca -0.18 -1.39 -0.13 0.00 1.01 0.00 0.00 58.87 58.18 2ncm n SER 62 Cb 0.53 0.18 -0.09 0.00 -1.01 0.00 0.00 64.21 63.83 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 -1.79 -0.00 -0.66 0.44 2.01 -0.51 -1.66 115.64 113.48 2ncm s THR 63 Ca 0.04 0.01 -0.07 0.00 0.31 0.00 0.00 61.69 61.98 2ncm s THR 63 Cb 0.00 -0.77 0.17 0.00 0.01 0.00 0.00 72.50 71.92 2ncm s THR 63 CO 0.03 0.00 0.52 -0.22 -0.69 0.00 0.00 174.62 174.26 2ncm s LEU 64 N 0.52 5.73 0.26 4.42 0.20 -0.75 -1.87 118.68 127.19 2ncm s LEU 64 Ca -0.02 -2.70 -0.17 0.00 0.69 0.00 0.00 54.13 51.93 2ncm s LEU 64 Cb -0.04 -1.97 -0.09 0.00 -0.43 0.00 0.00 46.19 43.66 2ncm s LEU 64 CO -0.02 -0.46 0.72 -0.89 -0.29 0.00 0.00 176.35 175.41 2ncm s THR 65 N 0.17 4.63 -0.36 3.68 2.01 -0.68 -1.85 115.64 123.24 2ncm s THR 65 Ca 0.16 1.12 0.02 0.00 0.31 0.00 0.00 61.69 63.29 2ncm s THR 65 Cb -0.18 -3.74 0.15 0.00 0.01 0.00 0.00 72.50 68.73 2ncm s THR 65 CO -0.05 0.03 0.32 -0.63 -0.69 0.00 0.00 174.62 173.60 2ncm s ILE 66 N -1.72 -0.20 0.00 1.82 1.01 0.04 -1.15 121.20 120.99 2ncm s ILE 66 Ca 0.48 -1.15 0.00 0.00 0.00 0.00 0.00 60.65 59.97 2ncm s ILE 66 Cb -0.14 -0.83 0.00 0.00 0.01 0.00 0.00 42.46 41.50 2ncm s ILE 66 CO 0.19 -0.70 0.00 -1.22 0.00 0.00 0.00 174.94 173.22 2ncm n TYR 67 N 4.29 0.00 -1.56 3.97 4.01 -0.86 -1.49 117.16 125.52 2ncm n TYR 67 Ca 0.10 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.63 2ncm n TYR 67 Cb 0.43 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.40 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 1.99 -4.83 7.72 4.05 -1.26 -3.15 115.26 119.78 2ncm n ASN 68 Ca 0.00 -1.16 -0.31 0.00 0.45 0.00 0.00 54.58 53.56 2ncm n ASN 68 Cb 0.00 -1.64 0.04 0.00 1.23 0.00 0.00 39.78 39.41 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 14.02 2.79 0.16 5.20 0.00 -1.04 -4.79 121.76 138.10 2ncm s ALA 69 Ca 0.95 0.05 -0.14 0.00 0.00 0.00 0.00 51.96 52.81 2ncm s ALA 69 Cb -0.14 -3.15 0.02 0.00 0.00 0.00 0.00 23.12 19.84 2ncm s ALA 69 CO 0.14 -1.07 0.40 -0.80 0.00 0.00 0.00 175.76 174.43 2ncm s ASN 70 N -3.86 -0.15 0.58 0.00 0.01 -1.26 -2.46 114.94 107.80 2ncm s ASN 70 Ca 0.57 -0.53 0.28 0.00 -0.71 0.00 0.00 52.86 52.47 2ncm s ASN 70 Cb -0.13 0.49 1.56 0.00 0.41 0.00 0.00 41.25 43.58 2ncm s ASN 70 CO 0.54 -0.92 2.03 0.16 -1.51 0.00 0.00 177.10 177.40 2ncm h ILE 71 N 2.38 0.49 -0.37 0.60 3.07 -1.96 -0.01 117.51 121.72 2ncm h ILE 71 Ca -0.32 0.00 -0.15 0.00 1.55 0.00 0.00 64.86 65.94 2ncm h ILE 71 Cb 1.25 0.77 -0.01 0.00 -0.27 0.00 0.00 36.82 38.56 2ncm h ILE 71 CO 0.45 0.00 -0.37 0.44 -1.05 0.00 0.00 178.15 177.61 2ncm h ASP 72 N 0.00 0.96 0.14 2.16 5.19 -1.96 -2.97 116.42 119.94 2ncm h ASP 72 Ca 0.14 -0.47 -0.08 0.00 -0.62 0.00 0.00 57.03 56.00 2ncm h ASP 72 Cb 0.73 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 39.96 2ncm h ASP 72 CO -0.00 1.23 -0.29 0.44 -3.12 0.00 0.00 179.24 177.50 2ncm h ASP 73 N 0.71 0.24 -1.34 6.45 5.19 -1.41 -3.43 116.42 122.83 2ncm h ASP 73 Ca 0.06 -0.08 -0.58 0.00 -0.62 0.00 0.00 57.03 55.81 2ncm h ASP 73 Cb 0.97 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 40.40 2ncm h ASP 73 CO 0.09 0.53 1.53 0.00 -3.12 0.00 0.00 179.24 178.28 2ncm n ALA 74 N -2.48 1.10 0.00 3.45 0.00 -0.92 -4.83 120.51 116.83 2ncm n ALA 74 Ca -0.01 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.06 2ncm n ALA 74 Cb 0.39 -2.79 0.00 0.00 0.00 0.00 0.00 19.45 17.05 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 6.21 -0.16 3.55 0.00 0.00 0.19 -4.88 105.19 110.11 2ncm n GLY 75 Ca 0.40 -0.90 -0.40 0.00 0.00 0.00 0.00 46.02 45.12 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 3.70 1.04 -0.61 1.01 -1.26 -1.81 121.20 121.27 2ncm s ILE 76 Ca 0.00 0.17 -0.15 0.00 0.00 0.00 0.00 60.65 60.67 2ncm s ILE 76 Cb 0.00 -4.79 0.21 0.00 0.01 0.00 0.00 42.46 37.88 2ncm s ILE 76 CO 0.00 -1.73 1.14 -0.31 0.00 0.00 0.00 174.94 174.04 2ncm s TYR 77 N 6.16 1.66 0.08 3.97 1.51 -0.64 -3.76 117.35 126.33 2ncm s TYR 77 Ca 0.42 0.72 0.02 0.00 -1.01 0.00 0.00 57.07 57.22 2ncm s TYR 77 Cb -0.07 -3.45 -0.03 0.00 -0.11 0.00 0.00 41.96 38.29 2ncm s TYR 77 CO 0.11 -3.04 -0.08 0.21 -1.11 0.00 0.00 175.55 171.64 2ncm s LYS 78 N -5.29 0.74 -0.33 -0.62 2.20 0.35 -2.02 119.74 114.77 2ncm s LYS 78 Ca 0.68 -1.11 -0.01 0.00 -0.36 0.00 0.00 55.97 55.16 2ncm s LYS 78 Cb -0.13 -0.31 0.11 0.00 -1.51 0.00 0.00 37.83 35.99 2ncm s LYS 78 CO 0.55 0.03 0.16 0.00 -0.36 0.00 0.00 175.35 175.73 2ncm s VAL 80 N 1.48 5.17 0.05 0.00 1.01 -0.58 -1.04 120.40 126.49 2ncm s VAL 80 Ca 0.13 0.11 0.02 0.00 0.00 0.00 0.00 61.98 62.24 2ncm s VAL 80 Cb -0.19 -3.38 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 2ncm s VAL 80 CO -0.19 0.39 0.04 -0.69 0.00 0.00 0.00 175.10 174.65 2ncm s VAL 81 N 0.81 4.34 0.09 2.92 1.01 -0.75 0.10 120.40 128.92 2ncm s VAL 81 Ca 0.06 -0.72 0.07 0.00 0.00 0.00 0.00 61.98 61.39 2ncm s VAL 81 Cb -0.13 -3.03 -0.03 0.00 0.00 0.00 0.00 36.38 33.19 2ncm s VAL 81 CO 0.02 0.23 -0.17 -0.89 0.00 0.00 0.00 175.10 174.29 2ncm s THR 82 N -1.26 1.44 0.67 3.92 2.01 -0.83 -0.89 115.64 120.70 2ncm s THR 82 Ca 0.25 -1.48 -0.03 0.00 0.31 0.00 0.00 61.69 60.74 2ncm s THR 82 Cb -0.12 -1.37 0.14 0.00 0.01 0.00 0.00 72.50 71.16 2ncm s THR 82 CO 0.17 -0.17 0.92 0.00 -0.69 0.00 0.00 174.62 174.84 2ncm n ALA 83 N 1.07 -0.12 0.05 7.40 0.00 0.61 -1.50 120.51 128.03 2ncm n ALA 83 Ca -0.19 -1.65 -0.08 0.00 0.00 0.00 0.00 53.44 51.51 2ncm n ALA 83 Cb 0.54 0.21 0.07 0.00 0.00 0.00 0.00 19.45 20.28 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 0.40 0.12 0.00 4.81 -1.77 -3.32 114.58 114.82 2ncm h GLU 84 Ca -0.30 -0.28 -0.36 0.00 -0.13 0.00 0.00 59.36 58.29 2ncm h GLU 84 Cb 1.05 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.45 2ncm h GLU 84 CO 0.30 0.89 -1.98 -0.40 -0.73 0.00 0.00 179.01 177.08 2ncm n ASP 85 N -3.89 2.05 0.00 1.04 5.75 -1.26 -5.00 116.55 115.24 2ncm n ASP 85 Ca -0.03 0.22 0.00 0.00 -0.01 0.00 0.00 54.79 54.97 2ncm n ASP 85 Cb 0.64 -0.81 0.00 0.00 -1.03 0.00 0.00 41.12 39.91 2ncm n ASP 85 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2ncm n GLY 86 N 1.97 0.25 3.52 6.12 0.00 -1.25 -5.12 105.19 110.69 2ncm n GLY 86 Ca -0.31 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.26 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 0.20 -4.78 2.61 -1.04 -1.26 -4.36 114.28 105.65 2ncm n THR 87 Ca 0.00 -0.40 -0.33 0.00 -2.04 0.00 0.00 64.05 61.27 2ncm n THR 87 Cb 0.00 -2.11 -0.13 0.00 -1.82 0.00 0.00 70.33 66.27 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 6.71 2.88 -0.20 -2.82 -2.07 -1.26 -0.28 119.66 122.61 2ncm s GLN 88 Ca 1.06 -0.65 0.01 0.00 -1.82 0.00 0.00 55.36 53.96 2ncm s GLN 88 Cb -0.58 -2.52 0.03 0.00 -1.09 0.00 0.00 33.01 28.84 2ncm s GLN 88 CO 0.40 0.49 -0.18 0.45 -1.32 0.00 0.00 175.29 175.14 2ncm s SER 89 N -0.37 3.45 0.55 12.60 0.15 -0.07 -4.93 113.70 125.08 2ncm s SER 89 Ca 0.04 -0.82 0.07 0.00 0.70 0.00 0.00 55.95 55.94 2ncm s SER 89 Cb -0.12 -1.50 0.07 0.00 -1.71 0.00 0.00 66.02 62.75 2ncm s SER 89 CO 0.02 -0.05 0.56 -1.84 1.20 0.00 0.00 173.24 173.14 2ncm n GLU 90 N 4.58 0.66 -3.98 5.44 0.28 -1.26 -1.82 120.64 124.54 2ncm n GLU 90 Ca -0.19 -3.20 -0.11 0.00 -0.16 0.00 0.00 57.16 53.50 2ncm n GLU 90 Cb 0.48 0.10 -0.03 0.00 1.43 0.00 0.00 31.44 33.42 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 -2.73 -0.05 0.04 -1.84 0.00 -0.20 -4.79 121.76 112.19 2ncm s ALA 91 Ca 0.43 -1.04 -0.06 0.00 0.00 0.00 0.00 51.96 51.29 2ncm s ALA 91 Cb -0.03 1.01 -0.01 0.00 0.00 0.00 0.00 23.12 24.08 2ncm s ALA 91 CO 0.27 -0.87 0.11 0.95 0.00 0.00 0.00 175.76 176.22 2ncm s THR 92 N -3.34 0.13 -0.09 0.00 -4.23 -1.26 -1.97 115.64 104.88 2ncm s THR 92 Ca 0.23 -1.09 -0.03 0.00 -1.18 0.00 0.00 61.69 59.62 2ncm s THR 92 Cb -0.02 -0.95 0.04 0.00 1.34 0.00 0.00 72.50 72.91 2ncm s THR 92 CO 0.13 -0.60 0.05 0.54 -0.54 0.00 0.00 174.62 174.20 2ncm s VAL 93 N -2.73 0.05 -0.70 2.29 0.11 -0.86 -4.68 120.40 113.89 2ncm s VAL 93 Ca -0.04 0.12 -0.26 0.00 -2.93 0.00 0.00 61.98 58.87 2ncm s VAL 93 Cb -0.00 -0.42 -0.01 0.00 -1.53 0.00 0.00 36.38 34.42 2ncm s VAL 93 CO -0.05 0.04 1.71 0.21 -3.33 0.00 0.00 175.10 173.68 2ncm s ASN 94 N 2.09 5.54 -0.23 3.54 2.47 -0.61 -1.62 114.94 126.11 2ncm s ASN 94 Ca 0.04 -0.06 -0.12 0.00 0.42 0.00 0.00 52.86 53.14 2ncm s ASN 94 Cb -0.14 -2.54 -0.05 0.00 -1.45 0.00 0.00 41.25 37.08 2ncm s ASN 94 CO -0.05 -2.24 0.23 -0.69 -3.72 0.00 0.00 177.10 170.62 2ncm s VAL 95 N 8.16 5.31 0.14 -5.21 1.01 -0.75 -1.67 120.40 127.39 2ncm s VAL 95 Ca 0.58 0.33 0.06 0.00 0.00 0.00 0.00 61.98 62.96 2ncm s VAL 95 Cb -0.10 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 2ncm s VAL 95 CO 0.15 0.31 0.02 -0.54 0.00 0.00 0.00 175.10 175.04 2ncm s LYS 96 N 1.22 2.52 -0.09 2.72 1.02 -0.75 0.57 119.74 126.96 2ncm s LYS 96 Ca 0.11 -0.96 -0.08 0.00 0.02 0.00 0.00 55.97 55.06 2ncm s LYS 96 Cb -0.14 -2.47 0.03 0.00 -0.52 0.00 0.00 37.83 34.72 2ncm s LYS 96 CO 0.06 0.50 0.24 0.42 -0.92 0.00 0.00 175.35 175.65 2ncm s ILE 97 N -1.55 -0.00 -0.01 2.17 1.01 -1.26 -1.74 121.20 119.82 2ncm s ILE 97 Ca 0.27 0.01 0.00 0.00 0.00 0.00 0.00 60.65 60.93 2ncm s ILE 97 Cb -0.10 -0.34 0.02 0.00 0.01 0.00 0.00 42.46 42.04 2ncm s ILE 97 CO 0.19 0.00 0.02 0.72 0.00 0.00 0.00 174.94 175.88 2ncm s PHE 98 N 0.21 0.02 -2.62 3.97 -0.71 -0.78 -4.71 117.98 113.37 2ncm s PHE 98 Ca -0.01 0.09 0.27 0.00 -1.04 0.00 0.00 56.93 56.24 2ncm s PHE 98 Cb -0.02 -0.17 0.84 0.00 -1.21 0.00 0.00 43.02 42.46 2ncm s PHE 98 CO -0.00 -0.06 1.63 0.00 -1.34 0.00 0.00 175.22 175.44