#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 0.01 -3.85 8.89 0.24 -1.26 -4.93 118.33 117.43 2ncm n VAL 2 Ca 0.00 -1.52 -0.12 0.00 -2.04 0.00 0.00 64.34 60.66 2ncm n VAL 2 Cb 0.00 1.13 -0.12 0.00 -1.47 0.00 0.00 33.84 33.38 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 -2.94 1.58 -0.11 1.34 1.02 -1.26 -2.41 118.68 115.90 2ncm s LEU 3 Ca 0.22 0.13 -0.14 0.00 0.02 0.00 0.00 54.13 54.36 2ncm s LEU 3 Cb 0.37 0.44 0.03 0.00 0.02 0.00 0.00 46.19 47.05 2ncm s LEU 3 CO -0.08 -0.11 0.37 -1.58 0.02 0.00 0.00 176.35 174.98 2ncm s GLN 4 N -0.26 0.52 -0.09 1.70 0.74 0.22 -4.81 119.66 117.68 2ncm s GLN 4 Ca -0.03 0.35 -0.10 0.00 0.05 0.00 0.00 55.36 55.63 2ncm s GLN 4 Cb -0.02 0.24 0.03 0.00 1.10 0.00 0.00 33.01 34.36 2ncm s GLN 4 CO 0.00 -0.09 0.28 0.08 -0.55 0.00 0.00 175.29 175.02 2ncm s VAL 5 N -0.20 0.01 -0.29 1.34 1.01 -1.26 -1.75 120.40 119.27 2ncm s VAL 5 Ca -0.04 -0.07 -0.13 0.00 0.00 0.00 0.00 61.98 61.74 2ncm s VAL 5 Cb -0.03 -0.43 0.10 0.00 0.00 0.00 0.00 36.38 36.03 2ncm s VAL 5 CO 0.02 -0.04 0.66 -1.81 0.00 0.00 0.00 175.10 173.92 2ncm s ASP 6 N -0.05 -1.02 0.05 3.32 1.01 -0.83 -4.78 116.67 114.37 2ncm s ASP 6 Ca -0.02 1.52 -0.15 0.00 0.71 0.00 0.00 52.55 54.61 2ncm s ASP 6 Cb -0.03 1.83 -0.06 0.00 1.01 0.00 0.00 42.92 45.67 2ncm s ASP 6 CO 0.01 -0.23 0.48 -0.63 0.21 0.00 0.00 175.17 175.00 2ncm s ILE 7 N 2.28 4.93 -0.08 0.77 1.01 -1.26 -1.77 121.20 127.07 2ncm s ILE 7 Ca -0.08 0.90 0.02 0.00 0.00 0.00 0.00 60.65 61.50 2ncm s ILE 7 Cb -0.09 -3.76 0.01 0.00 0.01 0.00 0.00 42.46 38.63 2ncm s ILE 7 CO -0.19 0.49 -0.14 -0.69 0.00 0.00 0.00 174.94 174.40 2ncm s VAL 8 N -1.18 1.34 0.90 2.92 1.01 -0.59 -4.01 120.40 120.79 2ncm s VAL 8 Ca 0.28 -0.58 -0.14 0.00 0.00 0.00 0.00 61.98 61.54 2ncm s VAL 8 Cb -0.17 -1.22 0.15 0.00 0.00 0.00 0.00 36.38 35.14 2ncm s VAL 8 CO 0.16 0.40 1.24 -2.16 0.00 0.00 0.00 175.10 174.75 2ncm s PRO 9 N 0.76 1.17 0.01 2.72 0.04 -1.26 -1.64 135.00 136.79 2ncm s PRO 9 Ca -0.12 -0.11 -0.22 0.00 0.04 0.00 0.00 61.00 60.58 2ncm s PRO 9 Cb -0.16 -1.88 -0.18 0.00 0.04 0.00 0.00 34.50 32.33 2ncm s PRO 9 CO 0.02 -2.11 1.25 0.66 0.04 0.00 0.00 177.00 176.87 2ncm h SER 10 N -1.42 0.28 -3.37 6.66 4.64 -1.93 -3.42 113.55 114.98 2ncm h SER 10 Ca -0.46 -0.56 -0.60 0.00 -0.47 0.00 0.00 61.79 59.71 2ncm h SER 10 Cb 1.29 -0.08 -0.40 0.00 -0.31 0.00 0.00 62.40 62.90 2ncm h SER 10 CO 0.52 0.78 -0.75 0.00 -0.87 0.00 0.00 176.83 176.51 2ncm s GLN 11 N -3.99 1.04 -0.52 4.77 -2.07 -1.26 -1.72 119.66 115.91 2ncm s GLN 11 Ca -0.15 -1.16 -0.12 0.00 -1.82 0.00 0.00 55.36 52.11 2ncm s GLN 11 Cb 0.03 -2.37 0.13 0.00 -1.09 0.00 0.00 33.01 29.72 2ncm s GLN 11 CO 0.74 -0.87 0.43 0.20 -1.32 0.00 0.00 175.29 174.46 2ncm s GLY 12 N 1.45 2.10 0.25 2.60 0.00 -0.19 -4.99 107.32 108.53 2ncm s GLY 12 Ca 0.06 -2.60 -0.23 0.00 0.00 0.00 0.00 44.72 41.95 2ncm s GLY 12 CO -0.16 1.15 0.82 -0.54 0.00 0.00 0.00 173.10 174.36 2ncm s GLU 13 N 1.36 4.44 0.09 2.90 2.02 -1.26 -1.95 118.70 126.30 2ncm s GLU 13 Ca 0.06 1.10 -0.13 0.00 0.02 0.00 0.00 54.97 56.02 2ncm s GLU 13 Cb -0.27 -2.93 0.02 0.00 0.10 0.00 0.00 34.13 31.05 2ncm s GLU 13 CO 0.00 0.39 0.30 0.42 0.02 0.00 0.00 175.26 176.39 2ncm s ILE 14 N -1.48 0.10 0.11 -1.63 1.09 -0.54 -4.88 121.20 113.96 2ncm s ILE 14 Ca 0.44 -0.81 0.02 0.00 -1.10 0.00 0.00 60.65 59.19 2ncm s ILE 14 Cb -0.19 -1.16 -0.04 0.00 -1.06 0.00 0.00 42.46 40.01 2ncm s ILE 14 CO 0.23 -0.45 0.23 -0.94 -0.10 0.00 0.00 174.94 173.91 2ncm s SER 15 N -2.62 6.24 0.08 3.58 1.04 -1.26 -1.93 113.70 118.83 2ncm s SER 15 Ca 0.01 0.18 -0.31 0.00 0.48 0.00 0.00 55.95 56.32 2ncm s SER 15 Cb 0.02 -1.87 -0.07 0.00 0.10 0.00 0.00 66.02 64.19 2ncm s SER 15 CO -0.09 0.11 1.47 -0.69 0.98 0.00 0.00 173.24 175.02 2ncm s VAL 16 N -1.63 3.30 0.00 5.02 1.01 -0.84 -2.23 120.40 125.03 2ncm s VAL 16 Ca 0.34 0.83 0.00 0.00 0.00 0.00 0.00 61.98 63.15 2ncm s VAL 16 Cb -0.12 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.73 2ncm s VAL 16 CO 0.28 0.03 0.00 0.61 0.00 0.00 0.00 175.10 176.02 2ncm n GLY 17 N 3.68 1.67 3.48 4.51 0.00 -1.22 -4.96 105.19 112.35 2ncm n GLY 17 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.39 2.14 0.81 1.61 -1.05 -0.95 -4.83 118.70 116.04 2ncm s GLU 18 Ca 0.00 -0.95 -0.11 0.00 -0.15 0.00 0.00 54.97 53.76 2ncm s GLU 18 Cb 0.00 -2.24 0.10 0.00 -0.44 0.00 0.00 34.13 31.55 2ncm s GLU 18 CO 0.00 0.55 1.16 -1.54 0.95 0.00 0.00 175.26 176.37 2ncm s SER 19 N -1.50 4.35 -0.30 0.83 1.04 -1.23 -3.70 113.70 113.19 2ncm s SER 19 Ca 0.15 0.58 -0.12 0.00 0.48 0.00 0.00 55.95 57.04 2ncm s SER 19 Cb -0.11 -1.04 0.14 0.00 0.10 0.00 0.00 66.02 65.12 2ncm s SER 19 CO 0.06 -1.97 0.79 -1.59 0.98 0.00 0.00 173.24 171.52 2ncm s LYS 20 N -5.53 0.47 0.01 4.02 -2.85 -0.46 -4.97 119.74 110.43 2ncm s LYS 20 Ca 0.64 1.15 0.05 0.00 -1.00 0.00 0.00 55.97 56.81 2ncm s LYS 20 Cb -0.10 0.65 -0.03 0.00 -2.06 0.00 0.00 37.83 36.29 2ncm s LYS 20 CO 0.48 -0.16 -0.14 -0.59 0.10 0.00 0.00 175.35 175.05 2ncm s PHE 21 N 2.60 2.68 -0.22 1.78 -0.12 -1.26 -0.86 117.98 122.59 2ncm s PHE 21 Ca -0.05 -0.17 0.02 0.00 -0.05 0.00 0.00 56.93 56.67 2ncm s PHE 21 Cb -0.09 -1.55 0.04 0.00 -0.63 0.00 0.00 43.02 40.79 2ncm s PHE 21 CO -0.18 0.27 -0.15 -0.06 -0.05 0.00 0.00 175.22 175.04 2ncm s PHE 22 N -0.90 2.99 -0.43 3.49 0.40 -0.79 -4.78 117.98 117.97 2ncm s PHE 22 Ca 0.15 -1.91 -0.29 0.00 -0.60 0.00 0.00 56.93 54.28 2ncm s PHE 22 Cb -0.11 -1.93 0.02 0.00 0.51 0.00 0.00 43.02 41.51 2ncm s PHE 22 CO 0.05 -0.83 1.15 -1.17 0.70 0.00 0.00 175.22 175.12 2ncm s LEU 23 N 1.22 3.70 -0.58 -0.37 2.96 -0.65 -1.79 118.68 123.17 2ncm s LEU 23 Ca -0.01 0.65 -0.20 0.00 -0.22 0.00 0.00 54.13 54.35 2ncm s LEU 23 Cb -0.16 -3.55 0.08 0.00 0.50 0.00 0.00 46.19 43.06 2ncm s LEU 23 CO -0.09 -1.18 0.76 0.00 -1.32 0.00 0.00 176.35 174.52 2ncm s GLN 25 N 3.10 3.19 0.25 0.00 -0.21 -0.73 -2.04 119.66 123.22 2ncm s GLN 25 Ca 0.17 -0.24 0.02 0.00 0.02 0.00 0.00 55.36 55.33 2ncm s GLN 25 Cb -0.20 -2.48 -0.04 0.00 1.00 0.00 0.00 33.01 31.29 2ncm s GLN 25 CO 0.10 -0.28 0.17 0.14 -2.12 0.00 0.00 175.29 173.30 2ncm s VAL 26 N -2.64 0.09 0.18 1.09 -7.23 -1.26 -1.96 120.40 108.66 2ncm s VAL 26 Ca 0.48 -2.00 -0.23 0.00 -1.81 0.00 0.00 61.98 58.42 2ncm s VAL 26 Cb -0.10 -2.51 0.06 0.00 0.56 0.00 0.00 36.38 34.38 2ncm s VAL 26 CO 0.40 0.00 0.74 0.00 -0.31 0.00 0.00 175.10 175.93 2ncm s ALA 27 N -3.88 -1.50 0.00 1.32 0.00 -0.71 -4.91 121.76 112.07 2ncm s ALA 27 Ca 0.39 0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.56 2ncm s ALA 27 Cb 0.06 0.77 0.00 0.00 0.00 0.00 0.00 23.12 23.95 2ncm s ALA 27 CO 0.17 -0.90 0.00 0.41 0.00 0.00 0.00 175.76 175.44 2ncm n GLY 28 N -0.41 0.26 1.13 0.00 0.00 -1.26 0.72 105.19 105.63 2ncm n GLY 28 Ca -0.09 -1.42 -0.01 0.00 0.00 0.00 0.00 46.02 44.49 2ncm n GLY 28 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2ncm n ASP 29 N 0.00 -0.35 -2.35 1.61 -0.08 -1.06 -4.94 116.55 109.38 2ncm n ASP 29 Ca 0.00 -0.90 -0.05 0.00 -1.51 0.00 0.00 54.79 52.33 2ncm n ASP 29 Cb 0.00 0.13 0.04 0.00 2.34 0.00 0.00 41.12 43.63 2ncm n ASP 29 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2ncm n ALA 30 N -0.18 -0.29 0.00 -1.67 0.00 -1.01 -4.98 120.51 112.38 2ncm n ALA 30 Ca -0.07 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.06 2ncm n ALA 30 Cb 0.47 -0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.91 2ncm n ALA 30 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2ncm n LYS 31 N -1.53 2.34 -0.09 0.00 4.01 -1.26 -4.84 118.16 116.80 2ncm n LYS 31 Ca 0.03 0.00 -0.12 0.00 -0.51 0.00 0.00 58.31 57.71 2ncm n LYS 31 Cb 0.10 -0.88 -0.15 0.00 -0.51 0.00 0.00 35.03 33.59 2ncm n LYS 31 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 2ncm n ASP 32 N -1.42 0.65 -0.16 4.39 2.03 -1.26 -5.00 116.55 115.78 2ncm n ASP 32 Ca 0.00 0.06 0.00 0.00 0.52 0.00 0.00 54.79 55.37 2ncm n ASP 32 Cb 0.21 0.44 0.00 0.00 -0.72 0.00 0.00 41.12 41.05 2ncm n ASP 32 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2ncm n LYS 33 N -2.94 -0.00 -2.12 -0.67 5.02 -1.04 -4.87 118.16 111.53 2ncm n LYS 33 Ca -0.33 -0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.64 2ncm n LYS 33 Cb 1.10 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 36.11 2ncm n LYS 33 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2ncm s ASP 34 N -0.14 6.23 0.14 4.39 -1.08 -0.62 -4.81 116.67 120.78 2ncm s ASP 34 Ca 0.00 1.59 0.08 0.00 -0.52 0.00 0.00 52.55 53.71 2ncm s ASP 34 Cb 0.00 -2.50 -0.04 0.00 -1.46 0.00 0.00 42.92 38.92 2ncm s ASP 34 CO 0.00 -0.86 -0.11 -0.63 0.52 0.00 0.00 175.17 174.09 2ncm s ILE 35 N -2.75 3.18 0.07 4.11 -1.09 -1.26 -1.96 121.20 121.49 2ncm s ILE 35 Ca 0.59 -1.49 -0.15 0.00 -2.23 0.00 0.00 60.65 57.37 2ncm s ILE 35 Cb -0.12 -2.52 0.03 0.00 -1.58 0.00 0.00 42.46 38.27 2ncm s ILE 35 CO 0.40 0.01 0.34 -0.44 -1.23 0.00 0.00 174.94 174.02 2ncm s SER 36 N -2.47 -0.17 -0.04 3.58 0.01 0.12 -4.95 113.70 109.79 2ncm s SER 36 Ca 0.22 -0.23 0.01 0.00 1.31 0.00 0.00 55.95 57.27 2ncm s SER 36 Cb -0.10 0.40 0.02 0.00 0.21 0.00 0.00 66.02 66.55 2ncm s SER 36 CO 0.14 -0.70 -0.05 0.26 0.41 0.00 0.00 173.24 173.30 2ncm s TRP 37 N -2.99 0.68 -0.19 2.43 0.52 -1.26 -1.36 118.94 116.77 2ncm s TRP 37 Ca -0.02 -0.17 0.01 0.00 0.02 0.00 0.00 56.10 55.94 2ncm s TRP 37 Cb 0.01 -0.59 0.03 0.00 -1.15 0.00 0.00 33.47 31.76 2ncm s TRP 37 CO -0.06 -0.15 -0.17 -0.06 0.02 0.00 0.00 176.95 176.52 2ncm s PHE 38 N 0.73 2.79 0.56 -1.98 0.40 -0.84 -1.68 117.98 117.96 2ncm s PHE 38 Ca -0.10 -1.73 -0.19 0.00 -0.60 0.00 0.00 56.93 54.32 2ncm s PHE 38 Cb -0.13 -1.87 -0.05 0.00 0.51 0.00 0.00 43.02 41.48 2ncm s PHE 38 CO 0.00 -0.81 1.13 -1.54 0.70 0.00 0.00 175.22 174.71 2ncm s SER 39 N 1.28 5.61 0.65 1.36 1.04 -0.38 -1.29 113.70 121.98 2ncm s SER 39 Ca 0.02 2.17 0.12 0.00 0.48 0.00 0.00 55.95 58.74 2ncm s SER 39 Cb -0.14 -2.58 0.57 0.00 0.10 0.00 0.00 66.02 63.97 2ncm s SER 39 CO -0.11 -1.29 1.30 -0.65 0.98 0.00 0.00 173.24 173.47 2ncm h PRO 40 N 1.04 0.00 -0.21 4.02 0.11 -1.87 0.05 132.00 135.14 2ncm h PRO 40 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 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 0.56 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.44 2ncm n ASN 41 N -2.73 0.21 -2.12 -2.05 3.02 -1.26 -4.84 115.26 105.49 2ncm n ASN 41 Ca 0.02 -1.98 -0.13 0.00 -0.03 0.00 0.00 54.58 52.46 2ncm n ASN 41 Cb 0.88 -0.11 0.04 0.00 -0.61 0.00 0.00 39.78 39.99 2ncm n ASN 41 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ncm n GLY 42 N 0.39 0.15 3.36 7.41 0.00 -0.01 -5.04 105.19 111.44 2ncm n GLY 42 Ca 0.00 -0.19 -0.11 0.00 0.00 0.00 0.00 46.02 45.72 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 -5.67 0.50 -0.13 1.61 -1.05 -1.10 -5.00 118.70 107.86 2ncm s GLU 43 Ca 0.30 0.79 -0.34 0.00 -0.15 0.00 0.00 54.97 55.57 2ncm s GLU 43 Cb -0.13 0.11 -0.12 0.00 -0.44 0.00 0.00 34.13 33.55 2ncm s GLU 43 CO 0.38 -0.12 1.91 1.17 0.95 0.00 0.00 175.26 179.55 2ncm n LYS 44 N 3.70 2.04 -2.67 -4.83 4.81 -1.26 -1.24 118.16 118.71 2ncm n LYS 44 Ca -0.19 0.73 -0.42 0.00 -0.87 0.00 0.00 58.31 57.57 2ncm n LYS 44 Cb 0.56 -2.63 -0.04 0.00 0.02 0.00 0.00 35.03 32.94 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 4.48 4.43 0.78 3.14 0.05 -0.68 -4.84 118.68 126.05 2ncm s LEU 45 Ca 0.95 1.78 -0.11 0.00 0.05 0.00 0.00 54.13 56.80 2ncm s LEU 45 Cb -0.71 -3.58 0.06 0.00 -2.05 0.00 0.00 46.19 39.91 2ncm s LEU 45 CO 0.52 -0.20 1.08 -0.44 -0.55 0.00 0.00 176.35 176.76 2ncm s SER 46 N 0.53 4.58 0.24 1.48 0.01 -1.26 -4.77 113.70 114.51 2ncm s SER 46 Ca 0.51 1.54 0.11 0.00 1.31 0.00 0.00 55.95 59.42 2ncm s SER 46 Cb -0.23 -2.30 0.17 0.00 0.21 0.00 0.00 66.02 63.87 2ncm s SER 46 CO 0.29 -1.94 1.49 -0.65 0.41 0.00 0.00 173.24 172.85 2ncm h PRO 47 N -1.07 0.00 -2.32 12.44 0.11 -1.91 -3.39 132.00 135.87 2ncm h PRO 47 Ca -0.46 0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.07 2ncm h PRO 47 Cb 1.25 0.00 -0.39 0.00 0.11 0.00 0.00 31.00 31.97 2ncm h PRO 47 CO 0.56 0.70 -0.98 0.09 -0.21 0.00 0.00 178.00 178.16 2ncm n ASN 48 N -3.53 -0.03 0.06 -2.05 3.02 -1.26 -3.18 115.26 108.29 2ncm n ASN 48 Ca -0.00 -2.52 0.00 0.00 -0.03 0.00 0.00 54.58 52.03 2ncm n ASN 48 Cb 0.73 -0.59 0.00 0.00 -0.61 0.00 0.00 39.78 39.31 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 2.40 0.00 -0.11 3.52 -0.00 -1.26 -5.15 117.38 116.78 2ncm n GLN 49 Ca 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.27 2ncm n GLN 49 Cb 0.48 -0.40 0.00 0.00 -0.00 0.00 0.00 30.24 30.32 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 -3.43 0.00 -0.02 2.61 1.13 -1.26 -5.01 117.38 111.39 2ncm n GLN 50 Ca 0.00 0.00 0.24 0.00 -1.94 0.00 0.00 57.00 55.30 2ncm n GLN 50 Cb 0.04 0.00 0.70 0.00 0.11 0.00 0.00 30.24 31.10 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 -5.86 -1.09 3.08 -1.96 -3.35 114.38 105.20 2ncm h ARG 51 Ca 0.00 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.45 2ncm h ARG 51 Cb 0.00 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 29.93 2ncm h ARG 51 CO 0.00 0.00 0.95 0.42 -1.07 0.00 0.00 179.97 180.27 2ncm s ILE 52 N -4.67 4.07 0.53 2.04 1.01 -1.26 -2.00 121.20 120.92 2ncm s ILE 52 Ca -0.04 -0.29 0.02 0.00 0.00 0.00 0.00 60.65 60.33 2ncm s ILE 52 Cb 0.17 -4.86 0.03 0.00 0.01 0.00 0.00 42.46 37.81 2ncm s ILE 52 CO 0.59 -1.71 0.74 -0.55 0.00 0.00 0.00 174.94 174.02 2ncm s SER 53 N 3.95 5.34 0.06 3.58 0.15 0.62 -4.61 113.70 122.79 2ncm s SER 53 Ca 0.33 -0.06 -0.03 0.00 0.70 0.00 0.00 55.95 56.89 2ncm s SER 53 Cb -0.09 -0.87 -0.03 0.00 -1.71 0.00 0.00 66.02 63.33 2ncm s SER 53 CO 0.06 -1.08 0.03 -0.69 1.20 0.00 0.00 173.24 172.76 2ncm s VAL 54 N -2.70 0.20 -0.26 4.45 1.01 -1.19 -0.96 120.40 120.94 2ncm s VAL 54 Ca 0.57 -1.61 -0.22 0.00 0.00 0.00 0.00 61.98 60.71 2ncm s VAL 54 Cb -0.10 -1.44 0.07 0.00 0.00 0.00 0.00 36.38 34.91 2ncm s VAL 54 CO 0.38 -0.89 0.69 0.54 0.00 0.00 0.00 175.10 175.82 2ncm s VAL 55 N -3.83 -0.00 -0.26 2.92 0.11 -0.72 -4.91 120.40 113.71 2ncm s VAL 55 Ca 0.06 0.00 -0.02 0.00 -2.93 0.00 0.00 61.98 59.09 2ncm s VAL 55 Cb 0.07 -0.97 0.03 0.00 -1.53 0.00 0.00 36.38 33.97 2ncm s VAL 55 CO -0.10 0.00 -0.05 0.26 -3.33 0.00 0.00 175.10 171.88 2ncm s TRP 56 N 0.63 3.11 0.00 1.54 0.51 -1.26 -0.75 118.94 122.73 2ncm s TRP 56 Ca -0.02 -1.63 0.00 0.00 -2.12 0.00 0.00 56.10 52.33 2ncm s TRP 56 Cb -0.05 -2.07 0.00 0.00 -0.81 0.00 0.00 33.47 30.54 2ncm s TRP 56 CO -0.03 -0.75 0.00 0.27 -0.51 0.00 0.00 176.95 175.93 2ncm n ASN 57 N 4.66 0.00 -3.21 2.95 0.23 -0.78 -5.01 115.26 114.10 2ncm n ASN 57 Ca -0.16 0.00 -0.20 0.00 -0.53 0.00 0.00 54.58 53.69 2ncm n ASN 57 Cb 0.46 -0.07 0.20 0.00 -2.08 0.00 0.00 39.78 38.29 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 -1.57 -3.42 -0.16 0.53 8.00 -1.21 -4.86 116.55 113.87 2ncm n ASP 58 Ca 0.00 -0.58 0.09 0.00 0.71 0.00 0.00 54.79 55.01 2ncm n ASP 58 Cb 0.00 -0.71 0.41 0.00 -0.02 0.00 0.00 41.12 40.80 2ncm n ASP 58 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 2ncm h ASP 59 N -3.08 0.56 0.00 -2.24 1.82 -2.01 -3.31 116.42 108.16 2ncm h ASP 59 Ca -0.26 0.01 -0.04 0.00 -0.39 0.00 0.00 57.03 56.35 2ncm h ASP 59 Cb 0.89 -0.11 -0.06 0.00 0.68 0.00 0.00 39.33 40.73 2ncm h ASP 59 CO 0.16 0.34 -0.37 0.47 -1.61 0.00 0.00 179.24 178.22 2ncm n ASP 60 N -4.49 0.02 -4.60 2.28 8.00 -1.26 -5.03 116.55 111.47 2ncm n ASP 60 Ca 0.11 -1.65 -0.34 0.00 0.71 0.00 0.00 54.79 53.62 2ncm n ASP 60 Cb 0.32 -0.09 -0.11 0.00 -0.02 0.00 0.00 41.12 41.22 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 -0.78 4.85 0.03 -2.24 0.15 -1.25 -4.45 113.70 110.00 2ncm s SER 61 Ca 0.04 0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.71 2ncm s SER 61 Cb 0.05 -1.34 -0.00 0.00 -1.71 0.00 0.00 66.02 63.02 2ncm s SER 61 CO -0.02 0.34 0.01 -1.20 1.20 0.00 0.00 173.24 173.57 2ncm n SER 62 N 2.36 0.78 -3.65 5.45 7.64 -0.87 -1.86 113.62 123.47 2ncm n SER 62 Ca -0.18 -1.15 -0.13 0.00 1.01 0.00 0.00 58.87 58.43 2ncm n SER 62 Cb 0.53 0.08 -0.08 0.00 -1.01 0.00 0.00 64.21 63.73 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 -1.71 -0.00 -0.59 0.44 2.01 0.07 -1.79 115.64 114.07 2ncm s THR 63 Ca 0.02 0.00 -0.06 0.00 0.31 0.00 0.00 61.69 61.96 2ncm s THR 63 Cb 0.00 -0.91 0.15 0.00 0.01 0.00 0.00 72.50 71.75 2ncm s THR 63 CO 0.01 0.00 0.44 -0.22 -0.69 0.00 0.00 174.62 174.16 2ncm s LEU 64 N 0.61 5.58 0.22 4.42 0.20 -0.74 -1.76 118.68 127.21 2ncm s LEU 64 Ca -0.02 -2.51 -0.22 0.00 0.69 0.00 0.00 54.13 52.06 2ncm s LEU 64 Cb -0.05 -1.94 -0.08 0.00 -0.43 0.00 0.00 46.19 43.69 2ncm s LEU 64 CO -0.03 -0.50 0.76 -0.89 -0.29 0.00 0.00 176.35 175.41 2ncm s THR 65 N 0.44 4.47 -0.34 3.68 2.01 -0.13 -1.88 115.64 123.89 2ncm s THR 65 Ca 0.13 1.47 -0.00 0.00 0.31 0.00 0.00 61.69 63.60 2ncm s THR 65 Cb -0.20 -3.96 0.14 0.00 0.01 0.00 0.00 72.50 68.48 2ncm s THR 65 CO -0.04 0.30 0.21 -0.63 -0.69 0.00 0.00 174.62 173.76 2ncm s ILE 66 N -1.42 0.09 0.00 1.82 1.01 -0.04 -0.28 121.20 122.38 2ncm s ILE 66 Ca 0.42 -1.55 0.00 0.00 0.00 0.00 0.00 60.65 59.52 2ncm s ILE 66 Cb -0.19 -1.08 0.00 0.00 0.01 0.00 0.00 42.46 41.20 2ncm s ILE 66 CO 0.23 -0.94 0.00 -1.22 0.00 0.00 0.00 174.94 173.01 2ncm n TYR 67 N 4.22 0.00 -1.54 3.97 4.01 -0.85 -1.35 117.16 125.62 2ncm n TYR 67 Ca 0.10 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.58 2ncm n TYR 67 Cb 0.38 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.33 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 1.50 -4.78 7.72 5.15 -1.26 -3.52 115.26 120.07 2ncm n ASN 68 Ca 0.00 -0.87 -0.36 0.00 -0.60 0.00 0.00 54.58 52.74 2ncm n ASN 68 Cb 0.00 -1.44 -0.04 0.00 -0.53 0.00 0.00 39.78 37.77 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 11.76 3.09 0.07 5.20 0.00 -1.24 -4.88 121.76 135.75 2ncm s ALA 69 Ca 1.03 0.70 -0.06 0.00 0.00 0.00 0.00 51.96 53.64 2ncm s ALA 69 Cb -0.33 -3.27 -0.02 0.00 0.00 0.00 0.00 23.12 19.50 2ncm s ALA 69 CO 0.24 -0.22 0.10 0.54 0.00 0.00 0.00 175.76 176.42 2ncm s ASN 70 N -1.56 0.25 0.59 0.00 6.03 -1.26 -3.43 114.94 115.55 2ncm s ASN 70 Ca 0.58 -0.74 0.29 0.00 -1.03 0.00 0.00 52.86 51.96 2ncm s ASN 70 Cb -0.22 0.28 1.46 0.00 -3.03 0.00 0.00 41.25 39.73 2ncm s ASN 70 CO 0.28 -0.65 1.87 0.16 -2.03 0.00 0.00 177.10 176.73 2ncm h ILE 71 N 3.05 0.36 -0.29 0.54 3.07 -1.96 0.21 117.51 122.49 2ncm h ILE 71 Ca -0.34 0.00 -0.11 0.00 1.55 0.00 0.00 64.86 65.96 2ncm h ILE 71 Cb 1.18 0.59 -0.01 0.00 -0.27 0.00 0.00 36.82 38.31 2ncm h ILE 71 CO 0.58 0.00 -0.26 0.44 -1.05 0.00 0.00 178.15 177.86 2ncm h ASP 72 N 0.00 0.72 -0.09 2.16 5.19 -1.96 -3.07 116.42 119.38 2ncm h ASP 72 Ca 0.24 -0.46 -0.08 0.00 -0.62 0.00 0.00 57.03 56.11 2ncm h ASP 72 Cb 1.29 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 40.58 2ncm h ASP 72 CO -0.00 1.03 -0.18 0.44 -3.12 0.00 0.00 179.24 177.42 2ncm h ASP 73 N 0.42 0.46 -1.24 6.45 5.19 -1.38 -3.43 116.42 122.90 2ncm h ASP 73 Ca 0.05 -0.13 -0.60 0.00 -0.62 0.00 0.00 57.03 55.73 2ncm h ASP 73 Cb 0.82 -0.12 -0.02 0.00 0.18 0.00 0.00 39.33 40.19 2ncm h ASP 73 CO 0.07 0.66 1.51 0.00 -3.12 0.00 0.00 179.24 178.35 2ncm n ALA 74 N -2.48 1.08 -3.96 3.45 0.00 -0.95 -4.79 120.51 112.85 2ncm n ALA 74 Ca 0.00 -0.29 0.01 0.00 0.00 0.00 0.00 53.44 53.16 2ncm n ALA 74 Cb 0.35 -2.72 0.01 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 8.65 -0.08 -0.92 0.00 0.00 0.96 -4.89 107.32 111.04 2ncm s GLY 75 Ca 1.08 -0.04 -0.22 0.00 0.00 0.00 0.00 44.72 45.54 2ncm s GLY 75 CO 0.42 4.81 1.30 -0.42 0.00 0.00 0.00 173.10 179.20 2ncm s ILE 76 N -2.06 4.13 0.93 0.90 -1.09 -1.26 -1.91 121.20 120.84 2ncm s ILE 76 Ca 0.27 -0.75 -0.12 0.00 -2.23 0.00 0.00 60.65 57.82 2ncm s ILE 76 Cb -0.01 -4.93 0.15 0.00 -1.58 0.00 0.00 42.46 36.09 2ncm s ILE 76 CO 0.01 -1.78 1.09 -0.31 -1.23 0.00 0.00 174.94 172.72 2ncm s TYR 77 N 4.43 2.16 0.13 3.97 1.51 -0.62 -4.38 117.35 124.55 2ncm s TYR 77 Ca 0.39 1.25 0.06 0.00 -1.01 0.00 0.00 57.07 57.76 2ncm s TYR 77 Cb -0.04 -3.18 -0.04 0.00 -0.11 0.00 0.00 41.96 38.59 2ncm s TYR 77 CO -0.04 -2.61 -0.13 0.21 -1.11 0.00 0.00 175.55 171.86 2ncm s LYS 78 N -4.88 1.02 -0.33 -0.62 2.20 -0.41 -1.98 119.74 114.75 2ncm s LYS 78 Ca 0.64 -1.27 -0.02 0.00 -0.36 0.00 0.00 55.97 54.96 2ncm s LYS 78 Cb -0.19 -0.84 0.12 0.00 -1.51 0.00 0.00 37.83 35.42 2ncm s LYS 78 CO 0.58 0.15 0.17 0.00 -0.36 0.00 0.00 175.35 175.89 2ncm s VAL 80 N 1.49 5.24 0.23 0.00 1.01 -0.46 -0.68 120.40 127.22 2ncm s VAL 80 Ca 0.14 0.12 0.11 0.00 0.00 0.00 0.00 61.98 62.34 2ncm s VAL 80 Cb -0.20 -3.31 -0.05 0.00 0.00 0.00 0.00 36.38 32.82 2ncm s VAL 80 CO -0.16 0.55 -0.17 -0.69 0.00 0.00 0.00 175.10 174.63 2ncm s VAL 81 N -0.45 2.68 0.05 2.92 1.01 -0.48 0.14 120.40 126.28 2ncm s VAL 81 Ca 0.11 -2.09 0.03 0.00 0.00 0.00 0.00 61.98 60.02 2ncm s VAL 81 Cb -0.12 -2.36 -0.03 0.00 0.00 0.00 0.00 36.38 33.88 2ncm s VAL 81 CO 0.02 -0.25 -0.09 -0.89 0.00 0.00 0.00 175.10 173.88 2ncm s THR 82 N -2.07 0.65 0.59 3.92 2.01 -0.83 -1.39 115.64 118.51 2ncm s THR 82 Ca 0.26 -1.17 0.09 0.00 0.31 0.00 0.00 61.69 61.18 2ncm s THR 82 Cb -0.07 -0.75 0.10 0.00 0.01 0.00 0.00 72.50 71.79 2ncm s THR 82 CO 0.14 -0.39 0.81 0.00 -0.69 0.00 0.00 174.62 174.49 2ncm n ALA 83 N 1.33 1.17 -0.04 7.40 0.00 0.15 -1.60 120.51 128.93 2ncm n ALA 83 Ca -0.22 -2.08 -0.14 0.00 0.00 0.00 0.00 53.44 51.01 2ncm n ALA 83 Cb 0.55 0.55 -0.08 0.00 0.00 0.00 0.00 19.45 20.47 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 0.32 0.00 0.00 4.81 -1.90 -3.24 114.58 114.56 2ncm h GLU 84 Ca -0.27 -0.20 -0.16 0.00 -0.13 0.00 0.00 59.36 58.60 2ncm h GLU 84 Cb 1.24 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.62 2ncm h GLU 84 CO 0.38 0.78 -0.76 0.38 -0.73 0.00 0.00 179.01 179.06 2ncm h ASP 85 N -0.10 0.00 0.00 1.04 2.03 -2.03 -3.47 116.42 113.88 2ncm h ASP 85 Ca 0.01 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.31 2ncm h ASP 85 Cb 0.76 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.26 2ncm h ASP 85 CO 0.04 0.76 0.00 0.61 -1.03 0.00 0.00 179.24 179.63 2ncm n GLY 86 N 0.75 0.48 3.58 7.15 0.00 -1.22 -5.11 105.19 110.83 2ncm n GLY 86 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 -4.19 2.61 -1.04 -1.26 -4.45 114.28 106.21 2ncm n THR 87 Ca 0.00 -0.51 -0.35 0.00 -2.04 0.00 0.00 64.05 61.15 2ncm n THR 87 Cb 0.00 -2.56 -0.09 0.00 -1.82 0.00 0.00 70.33 65.86 2ncm n THR 87 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 2ncm s GLN 88 N 6.68 3.45 -0.24 -2.82 -0.21 -1.26 0.34 119.66 125.60 2ncm s GLN 88 Ca 1.01 -0.36 0.02 0.00 0.02 0.00 0.00 55.36 56.05 2ncm s GLN 88 Cb -0.34 -3.00 0.06 0.00 1.00 0.00 0.00 33.01 30.73 2ncm s GLN 88 CO 0.34 0.52 -0.09 0.45 -2.12 0.00 0.00 175.29 174.40 2ncm s SER 89 N -0.36 4.02 0.56 5.90 0.15 -0.49 -4.94 113.70 118.55 2ncm s SER 89 Ca 0.08 -1.21 0.07 0.00 0.70 0.00 0.00 55.95 55.58 2ncm s SER 89 Cb -0.12 -1.35 0.06 0.00 -1.71 0.00 0.00 66.02 62.90 2ncm s SER 89 CO 0.02 -0.20 0.54 -1.83 1.20 0.00 0.00 173.24 172.98 2ncm s GLU 90 N 1.27 2.26 0.39 5.44 -1.05 -1.26 -1.38 118.70 124.36 2ncm s GLU 90 Ca -0.06 -1.91 -0.12 0.00 -0.15 0.00 0.00 54.97 52.73 2ncm s GLU 90 Cb -0.19 -2.28 0.05 0.00 -0.44 0.00 0.00 34.13 31.27 2ncm s GLU 90 CO -0.06 -0.72 0.73 0.00 0.95 0.00 0.00 175.26 176.16 2ncm s ALA 91 N -2.75 -0.37 0.09 -0.84 0.00 0.14 -4.73 121.76 113.29 2ncm s ALA 91 Ca 0.43 -0.95 -0.16 0.00 0.00 0.00 0.00 51.96 51.28 2ncm s ALA 91 Cb -0.03 0.77 0.03 0.00 0.00 0.00 0.00 23.12 23.88 2ncm s ALA 91 CO 0.27 -0.94 0.37 0.95 0.00 0.00 0.00 175.76 176.41 2ncm s THR 92 N -2.34 0.07 -0.06 0.00 -4.23 -1.26 -1.98 115.64 105.85 2ncm s THR 92 Ca 0.19 -0.61 -0.02 0.00 -1.18 0.00 0.00 61.69 60.07 2ncm s THR 92 Cb -0.04 -1.09 0.04 0.00 1.34 0.00 0.00 72.50 72.75 2ncm s THR 92 CO 0.14 -0.34 0.10 0.54 -0.54 0.00 0.00 174.62 174.53 2ncm s VAL 93 N -3.24 -0.16 -0.77 2.29 0.11 -0.84 -4.67 120.40 113.13 2ncm s VAL 93 Ca -0.00 0.37 -0.26 0.00 -2.93 0.00 0.00 61.98 59.15 2ncm s VAL 93 Cb 0.01 -0.21 0.02 0.00 -1.53 0.00 0.00 36.38 34.67 2ncm s VAL 93 CO -0.08 0.15 1.42 0.21 -3.33 0.00 0.00 175.10 173.48 2ncm s ASN 94 N 2.06 6.03 -0.24 3.54 3.04 -0.70 -1.58 114.94 127.08 2ncm s ASN 94 Ca 0.02 -0.48 -0.09 0.00 0.04 0.00 0.00 52.86 52.35 2ncm s ASN 94 Cb -0.12 -2.56 -0.04 0.00 -1.54 0.00 0.00 41.25 36.99 2ncm s ASN 94 CO -0.04 -1.91 0.12 -0.69 -3.04 0.00 0.00 177.10 171.54 2ncm s VAL 95 N 6.32 4.87 0.25 -5.21 1.01 -0.80 -1.02 120.40 125.81 2ncm s VAL 95 Ca 0.43 0.01 0.08 0.00 0.00 0.00 0.00 61.98 62.50 2ncm s VAL 95 Cb -0.08 -3.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.99 2ncm s VAL 95 CO 0.12 0.34 0.12 -0.75 0.00 0.00 0.00 175.10 174.92 2ncm s LYS 96 N 1.34 2.70 -0.15 2.72 2.47 -0.82 -0.03 119.74 127.96 2ncm s LYS 96 Ca 0.06 -1.17 -0.06 0.00 -1.56 0.00 0.00 55.97 53.24 2ncm s LYS 96 Cb -0.15 -2.42 0.07 0.00 -1.46 0.00 0.00 37.83 33.87 2ncm s LYS 96 CO 0.05 0.39 0.33 0.42 0.16 0.00 0.00 175.35 176.71 2ncm s ILE 97 N -2.18 -0.37 -0.08 5.43 1.01 -1.25 -1.47 121.20 122.29 2ncm s ILE 97 Ca 0.32 0.20 0.04 0.00 0.00 0.00 0.00 60.65 61.21 2ncm s ILE 97 Cb -0.07 -0.53 0.00 0.00 0.01 0.00 0.00 42.46 41.87 2ncm s ILE 97 CO 0.23 0.08 -0.20 0.72 0.00 0.00 0.00 174.94 175.78 2ncm s PHE 98 N 2.15 2.12 -2.55 3.97 -0.71 -0.81 -4.53 117.98 117.61 2ncm s PHE 98 Ca -0.03 -0.82 0.28 0.00 -1.04 0.00 0.00 56.93 55.32 2ncm s PHE 98 Cb -0.11 -1.45 0.96 0.00 -1.21 0.00 0.00 43.02 41.21 2ncm s PHE 98 CO -0.10 -0.34 1.69 0.00 -1.34 0.00 0.00 175.22 175.13