#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 0.11 -3.70 5.15 0.24 -1.26 -4.97 118.33 113.90 2ncm n VAL 2 Ca 0.00 -2.28 -0.16 0.00 -2.04 0.00 0.00 64.34 59.86 2ncm n VAL 2 Cb 0.00 0.92 -0.15 0.00 -1.47 0.00 0.00 33.84 33.13 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 -2.69 0.23 -0.11 1.34 1.02 -1.25 -3.63 118.68 113.59 2ncm s LEU 3 Ca 0.26 0.29 -0.05 0.00 0.02 0.00 0.00 54.13 54.65 2ncm s LEU 3 Cb 0.36 0.25 0.05 0.00 0.02 0.00 0.00 46.19 46.87 2ncm s LEU 3 CO -0.05 -0.21 0.25 -1.58 0.02 0.00 0.00 176.35 174.77 2ncm s GLN 4 N 1.89 0.16 0.05 1.70 0.74 0.15 -4.89 119.66 119.46 2ncm s GLN 4 Ca -0.01 0.63 0.02 0.00 0.05 0.00 0.00 55.36 56.05 2ncm s GLN 4 Cb -0.12 -0.09 -0.03 0.00 1.10 0.00 0.00 33.01 33.87 2ncm s GLN 4 CO -0.05 -0.23 -0.08 0.08 -0.55 0.00 0.00 175.29 174.46 2ncm s VAL 5 N 1.88 0.54 -0.28 1.34 1.01 -1.26 0.55 120.40 124.17 2ncm s VAL 5 Ca -0.03 -1.15 -0.16 0.00 0.00 0.00 0.00 61.98 60.63 2ncm s VAL 5 Cb -0.11 -0.69 0.08 0.00 0.00 0.00 0.00 36.38 35.66 2ncm s VAL 5 CO -0.08 -0.43 0.69 -1.81 0.00 0.00 0.00 175.10 173.47 2ncm s ASP 6 N -1.71 -0.94 0.11 3.32 1.01 -0.81 -4.79 116.67 112.86 2ncm s ASP 6 Ca -0.08 1.51 -0.12 0.00 0.71 0.00 0.00 52.55 54.56 2ncm s ASP 6 Cb -0.09 1.39 -0.06 0.00 1.01 0.00 0.00 42.92 45.17 2ncm s ASP 6 CO -0.00 -0.24 0.48 -0.63 0.21 0.00 0.00 175.17 174.99 2ncm s ILE 7 N 1.59 4.97 -0.09 0.77 1.01 -1.26 -1.93 121.20 126.26 2ncm s ILE 7 Ca -0.10 0.67 0.01 0.00 0.00 0.00 0.00 60.65 61.24 2ncm s ILE 7 Cb -0.05 -3.70 0.02 0.00 0.01 0.00 0.00 42.46 38.74 2ncm s ILE 7 CO -0.19 0.28 -0.11 -0.69 0.00 0.00 0.00 174.94 174.23 2ncm s VAL 8 N -1.41 1.16 0.99 2.92 1.01 -0.56 -4.14 120.40 120.37 2ncm s VAL 8 Ca 0.35 -0.45 -0.17 0.00 0.00 0.00 0.00 61.98 61.72 2ncm s VAL 8 Cb -0.15 -1.09 0.22 0.00 0.00 0.00 0.00 36.38 35.36 2ncm s VAL 8 CO 0.18 0.37 1.35 -2.16 0.00 0.00 0.00 175.10 174.85 2ncm s PRO 9 N 1.04 0.38 -0.06 2.72 0.04 -1.26 -1.80 135.00 136.06 2ncm s PRO 9 Ca -0.07 -0.53 -0.25 0.00 0.04 0.00 0.00 61.00 60.19 2ncm s PRO 9 Cb -0.15 -1.83 -0.20 0.00 0.04 0.00 0.00 34.50 32.36 2ncm s PRO 9 CO -0.01 -2.57 1.00 0.66 0.04 0.00 0.00 177.00 176.11 2ncm h SER 10 N -1.75 -0.06 -3.24 6.66 4.64 -1.93 -3.43 113.55 114.43 2ncm h SER 10 Ca -0.44 -0.55 -0.59 0.00 -0.47 0.00 0.00 61.79 59.74 2ncm h SER 10 Cb 1.21 0.02 -0.40 0.00 -0.31 0.00 0.00 62.40 62.92 2ncm h SER 10 CO 0.32 0.56 -0.75 0.00 -0.87 0.00 0.00 176.83 176.09 2ncm s GLN 11 N -3.46 0.84 -0.40 4.77 -2.07 -1.26 -1.57 119.66 116.51 2ncm s GLN 11 Ca -0.15 -1.11 -0.17 0.00 -1.82 0.00 0.00 55.36 52.11 2ncm s GLN 11 Cb 0.00 -2.16 0.01 0.00 -1.09 0.00 0.00 33.01 29.78 2ncm s GLN 11 CO 0.60 -0.94 0.45 0.20 -1.32 0.00 0.00 175.29 174.28 2ncm s GLY 12 N 1.55 1.87 -0.22 2.60 0.00 -0.21 -4.99 107.32 107.92 2ncm s GLY 12 Ca 0.08 -1.41 -0.18 0.00 0.00 0.00 0.00 44.72 43.22 2ncm s GLY 12 CO -0.21 1.17 0.51 -0.54 0.00 0.00 0.00 173.10 174.03 2ncm s GLU 13 N 2.19 4.15 0.15 2.90 8.01 -1.26 -1.91 118.70 132.93 2ncm s GLU 13 Ca 0.13 0.38 0.00 0.00 0.01 0.00 0.00 54.97 55.49 2ncm s GLU 13 Cb -0.17 -3.59 -0.04 0.00 -4.31 0.00 0.00 34.13 26.03 2ncm s GLU 13 CO 0.14 -0.20 0.03 0.42 0.01 0.00 0.00 175.26 175.65 2ncm s ILE 14 N 1.81 0.36 0.29 -1.63 1.09 -0.79 -4.98 121.20 117.35 2ncm s ILE 14 Ca 0.23 -1.94 0.08 0.00 -1.10 0.00 0.00 60.65 57.92 2ncm s ILE 14 Cb -0.15 -2.05 -0.03 0.00 -1.06 0.00 0.00 42.46 39.16 2ncm s ILE 14 CO 0.09 -0.49 0.19 -0.44 -0.10 0.00 0.00 174.94 174.19 2ncm s SER 15 N -3.10 5.20 0.23 3.58 0.01 -1.26 -2.06 113.70 116.30 2ncm s SER 15 Ca 0.23 -0.45 -0.30 0.00 1.31 0.00 0.00 55.95 56.74 2ncm s SER 15 Cb 0.07 -1.10 -0.09 0.00 0.21 0.00 0.00 66.02 65.11 2ncm s SER 15 CO 0.02 -0.16 1.33 -0.69 0.41 0.00 0.00 173.24 174.14 2ncm s VAL 16 N -2.25 3.03 0.00 3.43 1.01 -0.79 -2.34 120.40 122.48 2ncm s VAL 16 Ca 0.36 0.88 0.00 0.00 0.00 0.00 0.00 61.98 63.22 2ncm s VAL 16 Cb -0.06 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.75 2ncm s VAL 16 CO 0.24 0.15 0.00 0.61 0.00 0.00 0.00 175.10 176.10 2ncm n GLY 17 N 2.02 2.61 3.59 4.51 0.00 -1.17 -4.92 105.19 111.84 2ncm n GLY 17 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.90 2.41 0.95 1.61 -1.05 -0.99 -4.75 118.70 115.98 2ncm s GLU 18 Ca 0.00 -0.83 -0.16 0.00 -0.15 0.00 0.00 54.97 53.83 2ncm s GLU 18 Cb 0.00 -2.44 0.19 0.00 -0.44 0.00 0.00 34.13 31.44 2ncm s GLU 18 CO 0.00 0.57 1.30 -1.54 0.95 0.00 0.00 175.26 176.53 2ncm s SER 19 N -1.75 3.23 -0.30 0.83 1.04 -1.23 -3.49 113.70 112.03 2ncm s SER 19 Ca 0.19 0.35 -0.15 0.00 0.48 0.00 0.00 55.95 56.82 2ncm s SER 19 Cb -0.11 -0.45 0.17 0.00 0.10 0.00 0.00 66.02 65.73 2ncm s SER 19 CO 0.10 -2.67 1.03 -1.59 0.98 0.00 0.00 173.24 171.09 2ncm s LYS 20 N -5.84 0.25 0.11 4.02 -2.85 -0.28 -4.93 119.74 110.22 2ncm s LYS 20 Ca 0.72 0.61 0.07 0.00 -1.00 0.00 0.00 55.97 56.37 2ncm s LYS 20 Cb -0.05 0.36 -0.04 0.00 -2.06 0.00 0.00 37.83 36.04 2ncm s LYS 20 CO 0.53 -0.11 -0.07 -0.59 0.10 0.00 0.00 175.35 175.20 2ncm s PHE 21 N 2.46 2.79 -0.14 1.78 -0.12 -1.26 -1.12 117.98 122.37 2ncm s PHE 21 Ca -0.01 -0.14 -0.00 0.00 -0.05 0.00 0.00 56.93 56.73 2ncm s PHE 21 Cb -0.06 -1.44 0.03 0.00 -0.63 0.00 0.00 43.02 40.92 2ncm s PHE 21 CO -0.17 0.45 -0.08 -0.06 -0.05 0.00 0.00 175.22 175.31 2ncm s PHE 22 N -1.30 1.66 -0.29 3.49 0.40 -0.74 -4.76 117.98 116.44 2ncm s PHE 22 Ca 0.23 -0.92 -0.29 0.00 -0.60 0.00 0.00 56.93 55.34 2ncm s PHE 22 Cb -0.11 -1.32 0.01 0.00 0.51 0.00 0.00 43.02 42.12 2ncm s PHE 22 CO 0.15 -0.57 1.11 -1.17 0.70 0.00 0.00 175.22 175.44 2ncm s LEU 23 N 1.65 3.98 -0.69 -0.37 2.96 -0.75 -1.67 118.68 123.80 2ncm s LEU 23 Ca 0.04 1.19 -0.18 0.00 -0.22 0.00 0.00 54.13 54.96 2ncm s LEU 23 Cb -0.13 -3.54 0.13 0.00 0.50 0.00 0.00 46.19 43.14 2ncm s LEU 23 CO -0.08 -0.85 0.79 0.00 -1.32 0.00 0.00 176.35 174.88 2ncm s GLN 25 N 2.25 3.94 0.47 0.00 -0.21 -0.81 -2.20 119.66 123.11 2ncm s GLN 25 Ca 0.16 0.51 0.03 0.00 0.02 0.00 0.00 55.36 56.08 2ncm s GLN 25 Cb -0.18 -2.63 -0.03 0.00 1.00 0.00 0.00 33.01 31.16 2ncm s GLN 25 CO 0.01 0.29 0.01 0.14 -2.12 0.00 0.00 175.29 173.62 2ncm s VAL 26 N -1.80 1.34 -0.30 1.09 -7.23 -1.26 -1.93 120.40 110.31 2ncm s VAL 26 Ca 0.48 -2.00 -0.12 0.00 -1.81 0.00 0.00 61.98 58.53 2ncm s VAL 26 Cb -0.12 -2.41 0.18 0.00 0.56 0.00 0.00 36.38 34.59 2ncm s VAL 26 CO 0.19 0.00 0.99 0.00 -0.31 0.00 0.00 175.10 175.97 2ncm s ALA 27 N -2.87 -3.11 0.00 1.32 0.00 0.19 -4.89 121.76 112.39 2ncm s ALA 27 Ca 0.15 1.64 0.00 0.00 0.00 0.00 0.00 51.96 53.75 2ncm s ALA 27 Cb 0.04 -2.35 0.00 0.00 0.00 0.00 0.00 23.12 20.81 2ncm s ALA 27 CO 0.08 -1.31 0.00 0.41 0.00 0.00 0.00 175.76 174.94 2ncm n GLY 28 N 5.33 4.14 2.75 0.00 0.00 -1.26 0.34 105.19 116.48 2ncm n GLY 28 Ca -0.07 -0.86 -0.36 0.00 0.00 0.00 0.00 46.02 44.74 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 7.20 -1.40 1.61 8.00 -1.24 -4.63 116.55 126.09 2ncm n ASP 29 Ca 0.00 -3.60 0.05 0.00 0.71 0.00 0.00 54.79 51.95 2ncm n ASP 29 Cb 0.00 -1.14 0.27 0.00 -0.02 0.00 0.00 41.12 40.23 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 0.03 3.33 -0.03 2.24 0.00 -1.24 -4.98 120.51 119.86 2ncm n ALA 30 Ca 0.52 -1.26 0.00 0.00 0.00 0.00 0.00 53.44 52.70 2ncm n ALA 30 Cb 0.34 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.71 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 0.50 0.00 -0.67 0.00 0.00 -1.26 -3.01 118.16 113.72 2ncm n LYS 31 Ca 0.19 0.00 0.51 0.00 -0.00 0.00 0.00 58.31 59.01 2ncm n LYS 31 Cb 0.84 0.00 0.80 0.00 -0.00 0.00 0.00 35.03 36.67 2ncm n LYS 31 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2ncm n ASP 32 N 0.48 0.04 -0.19 -5.58 9.92 -1.26 -4.78 116.55 115.18 2ncm n ASP 32 Ca 0.00 1.07 0.00 0.00 -0.53 0.00 0.00 54.79 55.33 2ncm n ASP 32 Cb 0.00 -0.53 0.00 0.00 -0.64 0.00 0.00 41.12 39.95 2ncm n ASP 32 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2ncm n LYS 33 N -4.07 0.00 -2.73 -1.24 4.76 -1.06 -4.81 118.16 109.02 2ncm n LYS 33 Ca 0.44 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 55.45 2ncm n LYS 33 Cb 1.94 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 35.10 2ncm n LYS 33 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2ncm s ASP 34 N -0.12 6.50 0.68 4.39 1.11 -0.72 -4.76 116.67 123.75 2ncm s ASP 34 Ca 0.00 0.14 -0.13 0.00 0.18 0.00 0.00 52.55 52.74 2ncm s ASP 34 Cb 0.00 -2.49 0.00 0.00 1.07 0.00 0.00 42.92 41.50 2ncm s ASP 34 CO 0.00 -1.20 1.07 -0.63 1.18 0.00 0.00 175.17 175.59 2ncm s ILE 35 N 4.16 3.75 0.17 0.77 1.09 -1.26 -1.78 121.20 128.10 2ncm s ILE 35 Ca 0.40 0.66 -0.20 0.00 -1.10 0.00 0.00 60.65 60.41 2ncm s ILE 35 Cb -0.09 -3.27 0.05 0.00 -1.06 0.00 0.00 42.46 38.09 2ncm s ILE 35 CO 0.27 -0.65 0.56 -0.44 -0.10 0.00 0.00 174.94 174.57 2ncm s SER 36 N -3.31 -0.41 -0.04 3.58 0.01 0.17 -4.92 113.70 108.77 2ncm s SER 36 Ca 0.61 -0.21 -0.01 0.00 1.31 0.00 0.00 55.95 57.65 2ncm s SER 36 Cb -0.16 0.58 0.03 0.00 0.21 0.00 0.00 66.02 66.68 2ncm s SER 36 CO 0.49 -1.00 0.01 0.26 0.41 0.00 0.00 173.24 173.41 2ncm s TRP 37 N -3.80 0.39 -0.23 2.43 0.52 -1.26 -1.67 118.94 115.32 2ncm s TRP 37 Ca 0.04 -0.01 -0.02 0.00 0.02 0.00 0.00 56.10 56.13 2ncm s TRP 37 Cb -0.01 -0.55 0.01 0.00 -1.15 0.00 0.00 33.47 31.77 2ncm s TRP 37 CO -0.09 -0.20 -0.06 -0.06 0.02 0.00 0.00 176.95 176.55 2ncm s PHE 38 N 1.52 3.00 0.63 -1.98 0.40 -0.82 -2.07 117.98 118.67 2ncm s PHE 38 Ca -0.03 -1.34 -0.16 0.00 -0.60 0.00 0.00 56.93 54.80 2ncm s PHE 38 Cb -0.13 -2.07 -0.01 0.00 0.51 0.00 0.00 43.02 41.32 2ncm s PHE 38 CO -0.03 -0.67 1.14 -1.54 0.70 0.00 0.00 175.22 174.82 2ncm s SER 39 N 1.38 5.12 0.40 1.36 1.04 -0.28 -1.06 113.70 121.66 2ncm s SER 39 Ca 0.03 2.14 0.14 0.00 0.48 0.00 0.00 55.95 58.74 2ncm s SER 39 Cb -0.15 -2.57 0.78 0.00 0.10 0.00 0.00 66.02 64.18 2ncm s SER 39 CO -0.05 -1.63 1.35 -0.65 0.98 0.00 0.00 173.24 173.24 2ncm h PRO 40 N 0.36 0.00 0.00 4.02 0.11 -1.86 -1.14 132.00 133.48 2ncm h PRO 40 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2ncm h PRO 40 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2ncm h PRO 40 CO 0.54 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.60 2ncm n ASN 41 N -2.20 0.00 -0.36 -2.05 0.23 -1.26 -4.86 115.26 104.76 2ncm n ASN 41 Ca -0.01 -1.17 0.00 0.00 -0.53 0.00 0.00 54.58 52.87 2ncm n ASN 41 Cb 0.40 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.10 2ncm n ASN 41 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2ncm n GLY 42 N 0.68 0.93 3.61 4.83 0.00 -0.45 -5.08 105.19 109.72 2ncm n GLY 42 Ca 0.15 -0.57 -0.10 0.00 0.00 0.00 0.00 46.02 45.50 2ncm n GLY 42 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2ncm s GLU 43 N -3.99 0.55 0.50 1.61 -1.05 -1.11 -5.01 118.70 110.21 2ncm s GLU 43 Ca 0.00 0.44 -0.22 0.00 -0.15 0.00 0.00 54.97 55.04 2ncm s GLU 43 Cb 0.00 0.27 -0.08 0.00 -0.44 0.00 0.00 34.13 33.88 2ncm s GLU 43 CO 0.00 -0.11 1.02 1.17 0.95 0.00 0.00 175.26 178.29 2ncm n LYS 44 N 1.67 1.22 -4.19 -4.83 4.81 -1.26 -1.13 118.16 114.46 2ncm n LYS 44 Ca -0.12 0.45 -0.28 0.00 -0.87 0.00 0.00 58.31 57.49 2ncm n LYS 44 Cb 0.57 -2.14 -0.08 0.00 0.02 0.00 0.00 35.03 33.39 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 -1.33 3.30 0.62 3.14 0.05 -0.88 -4.74 118.68 118.85 2ncm s LEU 45 Ca 0.68 -0.35 -0.11 0.00 0.05 0.00 0.00 54.13 54.40 2ncm s LEU 45 Cb -0.48 -1.99 -0.04 0.00 -2.05 0.00 0.00 46.19 41.63 2ncm s LEU 45 CO 0.53 0.12 1.03 -0.44 -0.55 0.00 0.00 176.35 177.04 2ncm s SER 46 N -2.68 6.15 0.00 1.48 0.01 -1.26 -4.85 113.70 112.55 2ncm s SER 46 Ca 0.26 1.46 0.29 0.00 1.31 0.00 0.00 55.95 59.27 2ncm s SER 46 Cb -0.10 -2.48 1.31 0.00 0.21 0.00 0.00 66.02 64.96 2ncm s SER 46 CO 0.18 -0.92 1.95 -0.81 0.41 0.00 0.00 173.24 174.05 2ncm n PRO 47 N -2.69 0.20 -2.69 12.44 -0.04 -1.26 -3.99 135.00 136.97 2ncm n PRO 47 Ca 0.06 -0.01 -0.08 0.00 -0.04 0.00 0.00 63.50 63.43 2ncm n PRO 47 Cb 0.54 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.54 2ncm n PRO 47 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2ncm n ASN 48 N -1.39 1.14 0.00 3.54 0.23 -1.26 -3.31 115.26 114.21 2ncm n ASN 48 Ca 0.10 -2.59 0.00 0.00 -0.53 0.00 0.00 54.58 51.56 2ncm n ASN 48 Cb 0.30 -0.38 0.00 0.00 -2.08 0.00 0.00 39.78 37.62 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 -0.19 0.00 0.00 -3.83 6.02 -1.26 -5.01 117.38 113.11 2ncm n GLN 49 Ca 0.07 0.13 0.00 0.00 -0.01 0.00 0.00 57.00 57.20 2ncm n GLN 49 Cb 0.82 -0.98 0.00 0.00 1.02 0.00 0.00 30.24 31.10 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 -0.90 0.00 -0.11 -1.09 1.13 -1.26 -5.00 117.38 110.15 2ncm n GLN 50 Ca 0.00 0.00 -0.14 0.00 -1.94 0.00 0.00 57.00 54.92 2ncm n GLN 50 Cb 0.00 0.00 -0.14 0.00 0.11 0.00 0.00 30.24 30.21 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 -1.82 0.67 -2.78 -1.09 1.74 -1.26 -4.87 116.66 107.25 2ncm n ARG 51 Ca 0.00 0.07 -0.43 0.00 -0.77 0.00 0.00 57.85 56.72 2ncm n ARG 51 Cb 0.00 -1.52 -0.04 0.00 -1.02 0.00 0.00 32.46 29.88 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 4.33 -0.19 0.55 1.01 -1.26 -1.98 121.20 121.16 2ncm s ILE 52 Ca -0.22 0.57 -0.04 0.00 0.00 0.00 0.00 60.65 60.96 2ncm s ILE 52 Cb 0.07 -4.55 -0.02 0.00 0.01 0.00 0.00 42.46 37.98 2ncm s ILE 52 CO 0.72 -1.07 -0.04 -0.55 0.00 0.00 0.00 174.94 174.00 2ncm s SER 53 N 2.68 4.51 0.26 3.58 0.15 -0.10 -3.98 113.70 120.80 2ncm s SER 53 Ca 0.35 -0.28 0.03 0.00 0.70 0.00 0.00 55.95 56.76 2ncm s SER 53 Cb -0.11 -1.76 -0.03 0.00 -1.71 0.00 0.00 66.02 62.41 2ncm s SER 53 CO 0.23 0.06 0.40 -0.69 1.20 0.00 0.00 173.24 174.44 2ncm s VAL 54 N 1.00 5.22 0.24 4.45 1.01 -1.21 -1.54 120.40 129.58 2ncm s VAL 54 Ca 0.01 -0.80 -0.11 0.00 0.00 0.00 0.00 61.98 61.08 2ncm s VAL 54 Cb -0.15 -3.84 -0.01 0.00 0.00 0.00 0.00 36.38 32.38 2ncm s VAL 54 CO 0.01 -0.36 0.43 0.68 0.00 0.00 0.00 175.10 175.85 2ncm s VAL 55 N -2.04 0.00 -0.24 2.92 -7.23 -0.77 -4.89 120.40 108.15 2ncm s VAL 55 Ca 0.36 -1.50 -0.04 0.00 -1.81 0.00 0.00 61.98 58.98 2ncm s VAL 55 Cb -0.09 -2.27 0.08 0.00 0.56 0.00 0.00 36.38 34.66 2ncm s VAL 55 CO 0.31 0.00 0.11 0.26 -0.31 0.00 0.00 175.10 175.47 2ncm s TRP 56 N -4.00 0.32 0.00 2.82 0.51 -1.26 -1.96 118.94 115.37 2ncm s TRP 56 Ca 0.25 -0.66 0.00 0.00 -2.12 0.00 0.00 56.10 53.57 2ncm s TRP 56 Cb 0.00 -0.84 0.00 0.00 -0.81 0.00 0.00 33.47 31.83 2ncm s TRP 56 CO 0.10 -0.69 0.00 0.09 -0.51 0.00 0.00 176.95 175.94 2ncm n ASN 57 N 5.25 0.00 -3.07 2.95 3.02 -0.20 -4.98 115.26 118.23 2ncm n ASN 57 Ca -0.06 0.00 -0.14 0.00 -0.03 0.00 0.00 54.58 54.35 2ncm n ASN 57 Cb 0.45 0.00 0.13 0.00 -0.61 0.00 0.00 39.78 39.75 2ncm n ASN 57 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2ncm n ASP 58 N -0.46 -2.61 -0.23 6.41 2.03 -1.17 -4.86 116.55 115.65 2ncm n ASP 58 Ca 0.00 -0.52 0.14 0.00 0.52 0.00 0.00 54.79 54.93 2ncm n ASP 58 Cb 0.00 -0.46 0.43 0.00 -0.72 0.00 0.00 41.12 40.37 2ncm n ASP 58 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 2ncm h ASP 59 N -2.50 0.55 0.00 1.67 3.58 -2.02 -3.26 116.42 114.43 2ncm h ASP 59 Ca -0.19 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.30 2ncm h ASP 59 Cb 0.61 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.59 2ncm h ASP 59 CO 0.11 0.27 -0.29 0.47 -2.88 0.00 0.00 179.24 176.93 2ncm n ASP 60 N -4.53 0.00 -4.78 2.28 8.00 -1.26 -5.05 116.55 111.21 2ncm n ASP 60 Ca 0.17 -1.58 -0.36 0.00 0.71 0.00 0.00 54.79 53.73 2ncm n ASP 60 Cb 0.51 -0.12 -0.08 0.00 -0.02 0.00 0.00 41.12 41.42 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 -0.58 5.86 0.15 -2.24 0.15 -1.23 -4.39 113.70 111.42 2ncm s SER 61 Ca 0.00 0.31 0.02 0.00 0.70 0.00 0.00 55.95 56.98 2ncm s SER 61 Cb 0.00 -1.82 -0.01 0.00 -1.71 0.00 0.00 66.02 62.48 2ncm s SER 61 CO 0.00 0.38 0.07 -1.20 1.20 0.00 0.00 173.24 173.69 2ncm n SER 62 N 2.18 0.68 -3.64 5.45 7.64 -0.93 -1.03 113.62 123.97 2ncm n SER 62 Ca -0.19 -1.85 -0.15 0.00 1.01 0.00 0.00 58.87 57.69 2ncm n SER 62 Cb 0.54 0.47 -0.08 0.00 -1.01 0.00 0.00 64.21 64.14 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 -2.25 0.02 -0.55 0.44 2.01 -0.83 -1.85 115.64 112.63 2ncm s THR 63 Ca 0.10 -0.13 0.00 0.00 0.31 0.00 0.00 61.69 61.98 2ncm s THR 63 Cb 0.00 -0.82 0.14 0.00 0.01 0.00 0.00 72.50 71.83 2ncm s THR 63 CO 0.07 -0.07 0.33 -0.22 -0.69 0.00 0.00 174.62 174.04 2ncm s LEU 64 N -0.71 4.86 0.11 4.42 0.20 -0.67 -1.85 118.68 125.03 2ncm s LEU 64 Ca -0.08 -2.82 -0.23 0.00 0.69 0.00 0.00 54.13 51.69 2ncm s LEU 64 Cb -0.03 -1.76 -0.07 0.00 -0.43 0.00 0.00 46.19 43.90 2ncm s LEU 64 CO 0.05 -0.33 0.69 -0.89 -0.29 0.00 0.00 176.35 175.59 2ncm s THR 65 N -0.01 4.57 -0.34 3.68 2.01 -0.59 -1.79 115.64 123.16 2ncm s THR 65 Ca 0.16 1.50 -0.01 0.00 0.31 0.00 0.00 61.69 63.66 2ncm s THR 65 Cb -0.22 -4.04 0.12 0.00 0.01 0.00 0.00 72.50 68.36 2ncm s THR 65 CO -0.02 0.51 0.16 -0.63 -0.69 0.00 0.00 174.62 173.94 2ncm s ILE 66 N -0.94 0.55 0.00 1.82 1.01 -0.28 -0.92 121.20 122.44 2ncm s ILE 66 Ca 0.33 -1.53 0.00 0.00 0.00 0.00 0.00 60.65 59.45 2ncm s ILE 66 Cb -0.21 -1.42 0.00 0.00 0.01 0.00 0.00 42.46 40.84 2ncm s ILE 66 CO 0.23 -0.81 0.00 -1.22 0.00 0.00 0.00 174.94 173.14 2ncm n TYR 67 N 4.50 0.00 -1.53 3.97 4.01 -0.84 -1.13 117.16 126.15 2ncm n TYR 67 Ca 0.02 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.48 2ncm n TYR 67 Cb 0.39 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.31 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 0.95 -4.77 7.72 5.15 -1.26 -3.53 115.26 119.52 2ncm n ASN 68 Ca 0.00 -0.64 -0.39 0.00 -0.60 0.00 0.00 54.58 52.96 2ncm n ASN 68 Cb 0.00 -1.25 -0.04 0.00 -0.53 0.00 0.00 39.78 37.96 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 9.77 3.27 0.05 5.20 0.00 -1.23 -4.83 121.76 133.99 2ncm s ALA 69 Ca 1.12 0.82 0.02 0.00 0.00 0.00 0.00 51.96 53.92 2ncm s ALA 69 Cb -0.54 -3.31 -0.03 0.00 0.00 0.00 0.00 23.12 19.24 2ncm s ALA 69 CO 0.33 -0.19 -0.06 -0.80 0.00 0.00 0.00 175.76 175.03 2ncm s ASN 70 N -1.16 0.77 0.59 0.00 0.01 -1.26 -3.04 114.94 110.85 2ncm s ASN 70 Ca 0.50 -0.64 0.29 0.00 -0.71 0.00 0.00 52.86 52.30 2ncm s ASN 70 Cb -0.28 0.07 1.44 0.00 0.41 0.00 0.00 41.25 42.89 2ncm s ASN 70 CO 0.36 -0.29 1.86 0.16 -1.51 0.00 0.00 177.10 177.67 2ncm h ILE 71 N 4.19 0.34 -0.27 0.60 3.07 -1.96 0.74 117.51 124.21 2ncm h ILE 71 Ca -0.35 0.00 -0.09 0.00 1.55 0.00 0.00 64.86 65.97 2ncm h ILE 71 Cb 1.19 0.57 -0.01 0.00 -0.27 0.00 0.00 36.82 38.31 2ncm h ILE 71 CO 0.46 0.00 -0.20 0.44 -1.05 0.00 0.00 178.15 177.81 2ncm h ASP 72 N 0.00 0.65 -0.06 2.16 3.32 -1.96 -3.04 116.42 117.49 2ncm h ASP 72 Ca 0.25 -0.44 -0.06 0.00 0.02 0.00 0.00 57.03 56.79 2ncm h ASP 72 Cb 1.33 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.68 2ncm h ASP 72 CO -0.00 0.95 -0.13 0.44 -1.72 0.00 0.00 179.24 178.77 2ncm h ASP 73 N 0.35 0.37 -0.93 6.45 3.32 -1.28 -3.43 116.42 121.28 2ncm h ASP 73 Ca 0.05 -0.09 -0.56 0.00 0.02 0.00 0.00 57.03 56.45 2ncm h ASP 73 Cb 0.74 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 40.16 2ncm h ASP 73 CO 0.05 0.54 1.58 0.00 -1.72 0.00 0.00 179.24 179.68 2ncm n ALA 74 N -2.48 0.76 -3.78 3.45 0.00 -0.95 -4.79 120.51 112.72 2ncm n ALA 74 Ca 0.00 -0.38 0.01 0.00 0.00 0.00 0.00 53.44 53.07 2ncm n ALA 74 Cb 0.31 -2.66 0.00 0.00 0.00 0.00 0.00 19.45 17.10 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 9.23 -0.24 -0.77 0.00 0.00 0.13 -4.89 107.32 110.78 2ncm s GLY 75 Ca 1.13 0.32 -0.26 0.00 0.00 0.00 0.00 44.72 45.91 2ncm s GLY 75 CO 0.42 2.24 1.26 -0.42 0.00 0.00 0.00 173.10 176.60 2ncm s ILE 76 N -2.31 3.84 1.03 0.90 1.01 -1.26 -1.88 121.20 122.53 2ncm s ILE 76 Ca 0.20 0.14 -0.14 0.00 0.00 0.00 0.00 60.65 60.84 2ncm s ILE 76 Cb 0.02 -4.90 0.21 0.00 0.01 0.00 0.00 42.46 37.79 2ncm s ILE 76 CO -0.01 -1.81 1.12 -0.31 0.00 0.00 0.00 174.94 173.93 2ncm s TYR 77 N 5.38 1.75 0.09 3.97 1.51 -0.68 -4.24 117.35 125.12 2ncm s TYR 77 Ca 0.35 0.77 0.03 0.00 -1.01 0.00 0.00 57.07 57.21 2ncm s TYR 77 Cb -0.08 -3.40 -0.03 0.00 -0.11 0.00 0.00 41.96 38.33 2ncm s TYR 77 CO 0.11 -3.03 -0.09 0.21 -1.11 0.00 0.00 175.55 171.64 2ncm s LYS 78 N -5.21 0.79 -0.28 -0.62 2.20 -0.23 -1.90 119.74 114.49 2ncm s LYS 78 Ca 0.67 -1.11 -0.04 0.00 -0.36 0.00 0.00 55.97 55.13 2ncm s LYS 78 Cb -0.14 -0.44 0.09 0.00 -1.51 0.00 0.00 37.83 35.83 2ncm s LYS 78 CO 0.56 0.06 0.12 0.00 -0.36 0.00 0.00 175.35 175.73 2ncm s VAL 80 N 2.03 4.69 -0.04 0.00 1.01 -0.67 -0.53 120.40 126.89 2ncm s VAL 80 Ca 0.08 -0.15 0.04 0.00 0.00 0.00 0.00 61.98 61.95 2ncm s VAL 80 Cb -0.16 -3.02 -0.00 0.00 0.00 0.00 0.00 36.38 33.20 2ncm s VAL 80 CO -0.32 0.57 -0.15 0.54 0.00 0.00 0.00 175.10 175.74 2ncm s VAL 81 N -0.97 1.29 0.12 2.92 0.11 -0.77 0.42 120.40 123.52 2ncm s VAL 81 Ca 0.15 -0.64 0.09 0.00 -2.93 0.00 0.00 61.98 58.66 2ncm s VAL 81 Cb -0.12 -1.11 -0.04 0.00 -1.53 0.00 0.00 36.38 33.58 2ncm s VAL 81 CO 0.05 0.38 -0.20 -0.89 -3.33 0.00 0.00 175.10 171.10 2ncm s THR 82 N 0.06 2.71 0.60 5.04 2.01 -0.73 -1.16 115.64 124.17 2ncm s THR 82 Ca -0.03 -1.56 -0.02 0.00 0.31 0.00 0.00 61.69 60.39 2ncm s THR 82 Cb -0.11 -2.23 0.12 0.00 0.01 0.00 0.00 72.50 70.30 2ncm s THR 82 CO 0.02 0.10 0.82 0.00 -0.69 0.00 0.00 174.62 174.87 2ncm n ALA 83 N 0.84 -0.05 0.06 7.40 0.00 -0.09 -1.75 120.51 126.92 2ncm n ALA 83 Ca -0.16 -1.51 -0.10 0.00 0.00 0.00 0.00 53.44 51.67 2ncm n ALA 83 Cb 0.53 0.20 0.02 0.00 0.00 0.00 0.00 19.45 20.20 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 0.35 0.11 0.00 4.81 -1.88 -3.29 114.58 114.68 2ncm h GLU 84 Ca -0.27 -0.31 -0.30 0.00 -0.13 0.00 0.00 59.36 58.35 2ncm h GLU 84 Cb 0.96 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.40 2ncm h GLU 84 CO 0.27 0.97 -1.53 0.38 -0.73 0.00 0.00 179.01 178.37 2ncm h ASP 85 N 0.22 0.38 0.00 1.04 2.03 -1.95 -3.48 116.42 114.66 2ncm h ASP 85 Ca -0.04 -0.53 0.00 0.00 -0.73 0.00 0.00 57.03 55.74 2ncm h ASP 85 Cb 1.37 -0.12 0.00 0.00 -0.83 0.00 0.00 39.33 39.75 2ncm h ASP 85 CO 0.13 1.44 0.00 0.61 -1.03 0.00 0.00 179.24 180.39 2ncm n GLY 86 N 1.66 0.73 3.60 7.15 0.00 -1.24 -5.11 105.19 111.97 2ncm n GLY 86 Ca -0.16 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.42 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 0.40 -5.20 2.61 -1.04 -1.26 -4.47 114.28 105.31 2ncm n THR 87 Ca 0.00 -0.40 -0.32 0.00 -2.04 0.00 0.00 64.05 61.29 2ncm n THR 87 Cb 0.00 -2.46 -0.16 0.00 -1.82 0.00 0.00 70.33 65.89 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 6.05 2.61 -0.14 -2.82 -2.07 -1.26 -0.92 119.66 121.12 2ncm s GLN 88 Ca 1.00 -0.87 0.01 0.00 -1.82 0.00 0.00 55.36 53.67 2ncm s GLN 88 Cb -0.39 -2.21 -0.00 0.00 -1.09 0.00 0.00 33.01 29.31 2ncm s GLN 88 CO 0.37 0.39 -0.16 0.45 -1.32 0.00 0.00 175.29 175.02 2ncm s SER 89 N -0.17 3.62 0.48 12.60 0.15 -0.31 -4.94 113.70 125.14 2ncm s SER 89 Ca -0.03 -0.46 0.04 0.00 0.70 0.00 0.00 55.95 56.20 2ncm s SER 89 Cb -0.14 -1.54 0.04 0.00 -1.71 0.00 0.00 66.02 62.67 2ncm s SER 89 CO 0.04 0.11 0.31 -1.84 1.20 0.00 0.00 173.24 173.06 2ncm n GLU 90 N 3.86 0.79 -4.08 5.44 0.28 -1.26 -1.85 120.64 123.81 2ncm n GLU 90 Ca -0.19 -3.06 -0.12 0.00 -0.16 0.00 0.00 57.16 53.63 2ncm n GLU 90 Cb 0.52 0.40 -0.06 0.00 1.43 0.00 0.00 31.44 33.73 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 -2.71 0.49 0.05 -1.84 0.00 0.31 -4.72 121.76 113.34 2ncm s ALA 91 Ca 0.24 -1.32 -0.10 0.00 0.00 0.00 0.00 51.96 50.77 2ncm s ALA 91 Cb -0.02 1.18 0.01 0.00 0.00 0.00 0.00 23.12 24.29 2ncm s ALA 91 CO 0.15 -0.77 0.22 0.95 0.00 0.00 0.00 175.76 176.31 2ncm s THR 92 N -3.65 0.11 -0.14 0.00 -4.23 -1.26 -1.90 115.64 104.57 2ncm s THR 92 Ca 0.29 -0.90 -0.04 0.00 -1.18 0.00 0.00 61.69 59.87 2ncm s THR 92 Cb 0.01 -0.99 0.07 0.00 1.34 0.00 0.00 72.50 72.92 2ncm s THR 92 CO 0.14 -0.49 0.21 0.54 -0.54 0.00 0.00 174.62 174.48 2ncm s VAL 93 N -2.80 -0.33 -0.56 2.29 0.11 -0.80 -4.61 120.40 113.71 2ncm s VAL 93 Ca -0.03 0.18 -0.27 0.00 -2.93 0.00 0.00 61.98 58.93 2ncm s VAL 93 Cb 0.00 -0.46 -0.01 0.00 -1.53 0.00 0.00 36.38 34.38 2ncm s VAL 93 CO -0.05 0.03 1.75 0.21 -3.33 0.00 0.00 175.10 173.70 2ncm s ASN 94 N 2.34 5.57 -0.35 3.54 3.04 -0.61 -1.69 114.94 126.78 2ncm s ASN 94 Ca 0.04 0.47 -0.10 0.00 0.04 0.00 0.00 52.86 53.31 2ncm s ASN 94 Cb -0.13 -2.53 0.02 0.00 -1.54 0.00 0.00 41.25 37.07 2ncm s ASN 94 CO -0.09 -2.12 0.17 -0.69 -3.04 0.00 0.00 177.10 171.33 2ncm s VAL 95 N 8.03 4.40 0.08 -5.21 1.01 -0.79 -1.05 120.40 126.87 2ncm s VAL 95 Ca 0.66 -0.81 -0.01 0.00 0.00 0.00 0.00 61.98 61.81 2ncm s VAL 95 Cb -0.14 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 2ncm s VAL 95 CO 0.24 -0.15 0.25 -0.54 0.00 0.00 0.00 175.10 174.90 2ncm s LYS 96 N 1.53 3.48 -0.07 2.72 1.02 -0.80 0.18 119.74 127.80 2ncm s LYS 96 Ca 0.02 -0.35 -0.03 0.00 0.02 0.00 0.00 55.97 55.64 2ncm s LYS 96 Cb -0.19 -3.00 0.04 0.00 -0.52 0.00 0.00 37.83 34.16 2ncm s LYS 96 CO 0.06 0.58 0.06 0.42 -0.92 0.00 0.00 175.35 175.55 2ncm s ILE 97 N -1.53 -0.04 -0.11 2.17 1.01 -1.25 -1.88 121.20 119.57 2ncm s ILE 97 Ca 0.36 0.25 0.01 0.00 0.00 0.00 0.00 60.65 61.27 2ncm s ILE 97 Cb -0.13 -0.30 -0.02 0.00 0.01 0.00 0.00 42.46 42.02 2ncm s ILE 97 CO 0.27 0.09 -0.14 0.72 0.00 0.00 0.00 174.94 175.87 2ncm s PHE 98 N 2.13 2.77 -2.50 3.97 -0.71 -0.87 -4.52 117.98 118.25 2ncm s PHE 98 Ca 0.04 -0.55 0.28 0.00 -1.04 0.00 0.00 56.93 55.66 2ncm s PHE 98 Cb -0.13 -1.79 1.06 0.00 -1.21 0.00 0.00 43.02 40.95 2ncm s PHE 98 CO -0.05 -0.13 1.75 0.00 -1.34 0.00 0.00 175.22 175.45