#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 -3.71 5.15 0.24 -1.26 -4.92 118.33 113.83 2ncm n VAL 2 Ca 0.00 -1.98 -0.12 0.00 -2.04 0.00 0.00 64.34 60.20 2ncm n VAL 2 Cb 0.00 1.16 -0.11 0.00 -1.47 0.00 0.00 33.84 33.42 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 -2.45 0.15 -0.00 1.34 1.02 -1.25 -2.39 118.68 115.10 2ncm s LEU 3 Ca 0.25 0.84 -0.16 0.00 0.02 0.00 0.00 54.13 55.07 2ncm s LEU 3 Cb 0.32 1.32 0.03 0.00 0.02 0.00 0.00 46.19 47.87 2ncm s LEU 3 CO -0.06 -0.17 0.35 -1.58 0.02 0.00 0.00 176.35 174.91 2ncm s GLN 4 N 0.95 0.75 -0.08 1.70 0.74 0.19 -4.82 119.66 119.08 2ncm s GLN 4 Ca -0.06 -0.22 -0.15 0.00 0.05 0.00 0.00 55.36 54.98 2ncm s GLN 4 Cb -0.06 0.33 0.03 0.00 1.10 0.00 0.00 33.01 34.41 2ncm s GLN 4 CO -0.08 -0.22 0.36 0.08 -0.55 0.00 0.00 175.29 174.89 2ncm s VAL 5 N -1.63 0.02 -0.24 1.34 1.01 -1.26 -1.89 120.40 117.75 2ncm s VAL 5 Ca -0.11 -0.20 -0.14 0.00 0.00 0.00 0.00 61.98 61.53 2ncm s VAL 5 Cb -0.04 -0.59 0.07 0.00 0.00 0.00 0.00 36.38 35.83 2ncm s VAL 5 CO 0.03 -0.11 0.59 -1.81 0.00 0.00 0.00 175.10 173.81 2ncm s ASP 6 N -0.50 -0.79 -0.24 3.32 1.01 -0.81 -4.87 116.67 113.80 2ncm s ASP 6 Ca -0.06 1.30 -0.06 0.00 0.71 0.00 0.00 52.55 54.44 2ncm s ASP 6 Cb -0.04 1.18 -0.02 0.00 1.01 0.00 0.00 42.92 45.05 2ncm s ASP 6 CO 0.02 -0.22 0.03 -0.63 0.21 0.00 0.00 175.17 174.59 2ncm s ILE 7 N 1.48 4.03 -0.17 0.77 1.01 -1.26 -1.83 121.20 125.23 2ncm s ILE 7 Ca -0.09 -0.27 -0.06 0.00 0.00 0.00 0.00 60.65 60.23 2ncm s ILE 7 Cb -0.06 -2.87 -0.04 0.00 0.01 0.00 0.00 42.46 39.51 2ncm s ILE 7 CO -0.16 0.37 0.03 -0.69 0.00 0.00 0.00 174.94 174.48 2ncm s VAL 8 N 1.52 4.47 0.84 2.92 1.01 -0.75 -3.69 120.40 126.71 2ncm s VAL 8 Ca 0.06 -0.15 -0.12 0.00 0.00 0.00 0.00 61.98 61.77 2ncm s VAL 8 Cb -0.15 -2.99 0.12 0.00 0.00 0.00 0.00 36.38 33.36 2ncm s VAL 8 CO 0.02 0.47 1.19 -2.16 0.00 0.00 0.00 175.10 174.62 2ncm s PRO 9 N 0.35 1.50 0.12 2.72 0.04 -1.26 -1.88 135.00 136.59 2ncm s PRO 9 Ca 0.00 -0.24 -0.13 0.00 0.04 0.00 0.00 61.00 60.68 2ncm s PRO 9 Cb -0.13 -1.98 -0.05 0.00 0.04 0.00 0.00 34.50 32.37 2ncm s PRO 9 CO 0.01 -1.82 1.47 0.66 0.04 0.00 0.00 177.00 177.36 2ncm h SER 10 N -1.14 0.87 -3.16 6.66 4.64 -1.93 -3.42 113.55 116.06 2ncm h SER 10 Ca -0.44 -0.45 -0.49 0.00 -0.47 0.00 0.00 61.79 59.94 2ncm h SER 10 Cb 1.29 -0.24 -0.40 0.00 -0.31 0.00 0.00 62.40 62.73 2ncm h SER 10 CO 0.53 1.13 -0.76 0.00 -0.87 0.00 0.00 176.83 176.86 2ncm s GLN 11 N -4.47 0.37 -0.55 4.77 -2.07 -1.26 -1.56 119.66 114.89 2ncm s GLN 11 Ca -0.12 -0.27 -0.13 0.00 -1.82 0.00 0.00 55.36 53.02 2ncm s GLN 11 Cb 0.10 -1.97 0.14 0.00 -1.09 0.00 0.00 33.01 30.19 2ncm s GLN 11 CO 0.85 -0.66 0.47 0.20 -1.32 0.00 0.00 175.29 174.82 2ncm s GLY 12 N 1.99 2.14 -0.10 2.60 0.00 -0.46 -4.99 107.32 108.50 2ncm s GLY 12 Ca 0.01 -2.64 -0.27 0.00 0.00 0.00 0.00 44.72 41.82 2ncm s GLY 12 CO -0.09 1.17 0.87 -0.54 0.00 0.00 0.00 173.10 174.51 2ncm s GLU 13 N 1.32 4.40 0.12 2.90 2.02 -1.26 -1.77 118.70 126.43 2ncm s GLU 13 Ca 0.06 1.14 -0.01 0.00 0.02 0.00 0.00 54.97 56.18 2ncm s GLU 13 Cb -0.26 -3.52 -0.04 0.00 0.10 0.00 0.00 34.13 30.41 2ncm s GLU 13 CO 0.00 -0.19 0.06 0.42 0.02 0.00 0.00 175.26 175.56 2ncm s ILE 14 N 1.64 0.12 0.18 -1.63 1.09 -0.77 -4.96 121.20 116.87 2ncm s ILE 14 Ca 0.43 -1.86 0.05 0.00 -1.10 0.00 0.00 60.65 58.17 2ncm s ILE 14 Cb -0.18 -1.95 -0.04 0.00 -1.06 0.00 0.00 42.46 39.23 2ncm s ILE 14 CO 0.18 -0.54 0.18 -0.94 -0.10 0.00 0.00 174.94 173.72 2ncm s SER 15 N -3.02 5.69 0.39 3.58 1.04 -1.26 -1.89 113.70 118.22 2ncm s SER 15 Ca 0.21 -0.10 -0.27 0.00 0.48 0.00 0.00 55.95 56.27 2ncm s SER 15 Cb 0.07 -1.53 -0.10 0.00 0.10 0.00 0.00 66.02 64.57 2ncm s SER 15 CO -0.00 0.04 1.40 -0.69 0.98 0.00 0.00 173.24 174.96 2ncm s VAL 16 N -1.84 2.32 0.00 5.02 1.01 -0.88 -2.01 120.40 124.02 2ncm s VAL 16 Ca 0.32 0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.61 2ncm s VAL 16 Cb -0.10 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 33.09 2ncm s VAL 16 CO 0.25 0.06 0.00 0.61 0.00 0.00 0.00 175.10 176.02 2ncm n GLY 17 N 0.60 1.64 3.88 4.51 0.00 -1.14 -4.94 105.19 109.75 2ncm n GLY 17 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.55 3.27 0.50 1.61 0.41 -0.85 -4.72 118.70 118.37 2ncm s GLU 18 Ca 0.00 -0.52 -0.02 0.00 -0.41 0.00 0.00 54.97 54.02 2ncm s GLU 18 Cb 0.00 -2.94 0.00 0.00 -1.78 0.00 0.00 34.13 29.41 2ncm s GLU 18 CO 0.00 0.60 0.76 -1.54 -0.49 0.00 0.00 175.26 174.59 2ncm s SER 19 N -2.49 5.75 -0.28 -0.19 1.04 -1.23 -2.77 113.70 113.54 2ncm s SER 19 Ca 0.33 0.46 -0.16 0.00 0.48 0.00 0.00 55.95 57.07 2ncm s SER 19 Cb -0.13 -1.62 0.10 0.00 0.10 0.00 0.00 66.02 64.48 2ncm s SER 19 CO 0.26 -0.83 0.77 -1.59 0.98 0.00 0.00 173.24 172.83 2ncm s LYS 20 N -4.72 0.61 0.24 4.02 -2.85 -0.50 -4.98 119.74 111.56 2ncm s LYS 20 Ca 0.50 1.08 0.11 0.00 -1.00 0.00 0.00 55.97 56.67 2ncm s LYS 20 Cb -0.10 0.16 -0.05 0.00 -2.06 0.00 0.00 37.83 35.78 2ncm s LYS 20 CO 0.41 -0.13 -0.21 -0.59 0.10 0.00 0.00 175.35 174.93 2ncm s PHE 21 N 1.62 2.22 -0.09 1.78 -0.12 -1.26 -0.99 117.98 121.16 2ncm s PHE 21 Ca -0.09 -0.36 -0.01 0.00 -0.05 0.00 0.00 56.93 56.41 2ncm s PHE 21 Cb -0.05 -1.02 0.03 0.00 -0.63 0.00 0.00 43.02 41.35 2ncm s PHE 21 CO -0.19 0.60 -0.03 -0.06 -0.05 0.00 0.00 175.22 175.50 2ncm s PHE 22 N -2.26 0.96 -0.28 3.49 0.40 -0.55 -4.77 117.98 114.97 2ncm s PHE 22 Ca 0.26 -0.37 -0.29 0.00 -0.60 0.00 0.00 56.93 55.93 2ncm s PHE 22 Cb -0.06 -0.95 0.01 0.00 0.51 0.00 0.00 43.02 42.53 2ncm s PHE 22 CO 0.12 -0.39 1.13 -1.17 0.70 0.00 0.00 175.22 175.62 2ncm s LEU 23 N 1.84 3.98 -0.62 -0.37 1.98 -0.79 -1.74 118.68 122.97 2ncm s LEU 23 Ca 0.04 1.22 -0.13 0.00 -2.89 0.00 0.00 54.13 52.37 2ncm s LEU 23 Cb -0.12 -3.54 0.16 0.00 0.66 0.00 0.00 46.19 43.34 2ncm s LEU 23 CO -0.06 -0.86 0.55 0.00 -1.89 0.00 0.00 176.35 174.09 2ncm s GLN 25 N 1.01 3.29 0.04 0.00 -0.21 -0.76 -2.03 119.66 121.00 2ncm s GLN 25 Ca 0.09 -0.39 0.01 0.00 0.02 0.00 0.00 55.36 55.08 2ncm s GLN 25 Cb -0.23 -2.60 -0.03 0.00 1.00 0.00 0.00 33.01 31.15 2ncm s GLN 25 CO -0.02 -0.07 -0.05 0.14 -2.12 0.00 0.00 175.29 173.17 2ncm s VAL 26 N -2.45 0.37 0.19 1.09 -7.23 -1.26 -1.92 120.40 109.20 2ncm s VAL 26 Ca 0.44 -1.25 0.03 0.00 -1.81 0.00 0.00 61.98 59.39 2ncm s VAL 26 Cb -0.10 -0.78 -0.05 0.00 0.56 0.00 0.00 36.38 36.01 2ncm s VAL 26 CO 0.37 -0.59 -0.03 0.00 -0.31 0.00 0.00 175.10 174.54 2ncm s ALA 27 N -2.11 1.61 0.00 1.32 0.00 -0.79 -4.93 121.76 116.85 2ncm s ALA 27 Ca -0.06 -1.64 0.00 0.00 0.00 0.00 0.00 51.96 50.25 2ncm s ALA 27 Cb -0.05 0.36 0.00 0.00 0.00 0.00 0.00 23.12 23.43 2ncm s ALA 27 CO -0.02 -0.21 0.00 0.41 0.00 0.00 0.00 175.76 175.93 2ncm n GLY 28 N -0.31 0.30 0.00 0.00 0.00 -1.26 0.56 105.19 104.47 2ncm n GLY 28 Ca -0.07 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.60 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 0.00 -0.00 1.61 -0.08 -1.01 -4.92 116.55 112.15 2ncm n ASP 29 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 2ncm n ASP 29 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 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 -1.31 0.00 0.03 -1.67 0.00 -1.20 -4.92 120.51 111.44 2ncm n ALA 30 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2ncm n ALA 30 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.01 0.00 -0.11 0.00 0.00 -1.26 -4.93 118.16 111.84 2ncm n LYS 31 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 58.31 58.28 2ncm n LYS 31 Cb 0.00 0.00 0.19 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 0.75 -0.12 -5.58 3.58 -1.90 -3.47 116.42 109.69 2ncm h ASP 32 Ca 0.00 -0.15 0.00 0.00 0.42 0.00 0.00 57.03 57.30 2ncm h ASP 32 Cb 0.00 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 40.85 2ncm h ASP 32 CO 0.00 0.77 0.00 0.29 -2.88 0.00 0.00 179.24 177.42 2ncm n LYS 33 N -4.25 0.00 -3.57 0.28 5.02 0.02 -4.86 118.16 110.80 2ncm n LYS 33 Ca 0.03 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.91 2ncm n LYS 33 Cb 0.25 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 35.16 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 5.78 0.65 4.39 1.01 -0.63 -4.76 116.67 123.10 2ncm s ASP 34 Ca 0.00 -1.11 -0.17 0.00 0.71 0.00 0.00 52.55 51.99 2ncm s ASP 34 Cb 0.00 -2.04 -0.00 0.00 1.01 0.00 0.00 42.92 41.89 2ncm s ASP 34 CO 0.00 -0.44 1.18 -0.63 0.21 0.00 0.00 175.17 175.49 2ncm s ILE 35 N 1.55 2.68 0.11 0.77 -1.09 -1.25 -1.97 121.20 121.99 2ncm s ILE 35 Ca 0.02 0.37 -0.09 0.00 -2.23 0.00 0.00 60.65 58.72 2ncm s ILE 35 Cb -0.20 -3.01 -0.00 0.00 -1.58 0.00 0.00 42.46 37.67 2ncm s ILE 35 CO 0.06 -0.14 0.22 -0.44 -1.23 0.00 0.00 174.94 173.40 2ncm s SER 36 N -1.96 0.09 -0.18 3.58 0.01 0.24 -4.90 113.70 110.58 2ncm s SER 36 Ca 0.74 -0.70 -0.04 0.00 1.31 0.00 0.00 55.95 57.26 2ncm s SER 36 Cb -0.28 0.36 0.06 0.00 0.21 0.00 0.00 66.02 66.38 2ncm s SER 36 CO 0.39 -0.77 0.08 0.26 0.41 0.00 0.00 173.24 173.60 2ncm s TRP 37 N -3.89 0.40 -0.32 2.43 0.52 -1.26 -1.94 118.94 114.89 2ncm s TRP 37 Ca 0.08 -0.48 -0.05 0.00 0.02 0.00 0.00 56.10 55.67 2ncm s TRP 37 Cb 0.04 -0.79 0.04 0.00 -1.15 0.00 0.00 33.47 31.61 2ncm s TRP 37 CO -0.08 -0.55 0.07 -0.06 0.02 0.00 0.00 176.95 176.34 2ncm s PHE 38 N 2.07 3.23 0.76 -1.98 0.40 -0.72 -1.94 117.98 119.79 2ncm s PHE 38 Ca 0.02 -1.45 -0.15 0.00 -0.60 0.00 0.00 56.93 54.75 2ncm s PHE 38 Cb -0.16 -2.22 0.06 0.00 0.51 0.00 0.00 43.02 41.20 2ncm s PHE 38 CO -0.10 -0.72 1.24 -1.54 0.70 0.00 0.00 175.22 174.79 2ncm s SER 39 N 1.38 3.87 0.00 1.36 1.04 -0.53 0.15 113.70 120.97 2ncm s SER 39 Ca -0.02 2.46 0.00 0.00 0.48 0.00 0.00 55.95 58.88 2ncm s SER 39 Cb -0.19 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.33 2ncm s SER 39 CO 0.02 -2.49 0.57 -0.81 0.98 0.00 0.00 173.24 171.51 2ncm n PRO 40 N -2.88 0.00 -1.73 4.02 -0.04 -1.15 -2.11 135.00 131.11 2ncm n PRO 40 Ca 0.14 0.57 -0.22 0.00 -0.04 0.00 0.00 63.50 63.96 2ncm n PRO 40 Cb 0.50 -0.93 0.06 0.00 -0.04 0.00 0.00 33.50 33.09 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 -2.00 4.91 0.00 3.54 4.05 -1.26 -4.58 115.26 119.91 2ncm n ASN 41 Ca 0.00 -3.77 0.00 0.00 0.45 0.00 0.00 54.58 51.26 2ncm n ASN 41 Cb 0.00 -0.47 0.00 0.00 1.23 0.00 0.00 39.78 40.54 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 -0.80 0.14 5.66 8.20 0.00 -0.90 -5.14 105.19 112.35 2ncm n GLY 42 Ca 0.44 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.48 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 -1.22 -0.35 -1.60 1.61 1.02 -0.90 -4.68 120.64 114.52 2ncm n GLU 43 Ca 0.00 0.23 -0.50 0.00 -0.02 0.00 0.00 57.16 56.87 2ncm n GLU 43 Cb 0.00 -0.43 -0.06 0.00 -0.02 0.00 0.00 31.44 30.94 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 -1.47 1.65 -3.45 3.49 4.81 -1.26 -1.46 118.16 120.47 2ncm n LYS 44 Ca 0.00 0.55 -0.29 0.00 -0.87 0.00 0.00 58.31 57.70 2ncm n LYS 44 Cb 0.08 -2.57 -0.03 0.00 0.02 0.00 0.00 35.03 32.52 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 5.56 4.12 0.73 3.14 0.05 -0.82 -4.93 118.68 126.53 2ncm s LEU 45 Ca 1.00 0.65 -0.11 0.00 0.05 0.00 0.00 54.13 55.71 2ncm s LEU 45 Cb -0.76 -3.44 0.03 0.00 -2.05 0.00 0.00 46.19 39.97 2ncm s LEU 45 CO 0.51 -0.13 1.09 -0.44 -0.55 0.00 0.00 176.35 176.83 2ncm s SER 46 N -3.05 5.15 0.20 1.48 0.01 -1.26 -4.87 113.70 111.35 2ncm s SER 46 Ca 0.43 1.21 0.15 0.00 1.31 0.00 0.00 55.95 59.05 2ncm s SER 46 Cb -0.11 -1.99 -0.01 0.00 0.21 0.00 0.00 66.02 64.11 2ncm s SER 46 CO 0.29 -1.54 1.23 1.55 0.41 0.00 0.00 173.24 175.18 2ncm h PRO 47 N -0.79 0.00 0.00 12.44 0.14 -1.89 -3.38 132.00 138.52 2ncm h PRO 47 Ca -0.46 0.00 -0.02 0.00 0.14 0.00 0.00 66.00 65.66 2ncm h PRO 47 Cb 1.26 0.00 -0.04 0.00 0.14 0.00 0.00 31.00 32.35 2ncm h PRO 47 CO 0.62 0.45 -0.36 0.27 0.14 0.00 0.00 178.00 179.12 2ncm n ASN 48 N -3.11 1.27 0.29 1.44 0.23 -1.26 -3.53 115.26 110.58 2ncm n ASN 48 Ca -0.02 -2.68 -0.13 0.00 -0.53 0.00 0.00 54.58 51.22 2ncm n ASN 48 Cb 0.77 -0.35 -0.07 0.00 -2.08 0.00 0.00 39.78 38.06 2ncm n ASN 48 CO 0.00 0.00 0.00 0.06 -0.93 0.00 0.00 177.26 176.39 2ncm h GLN 49 N 0.24 -0.74 0.00 -3.83 -0.00 -1.81 -3.49 115.11 105.49 2ncm h GLN 49 Ca -0.03 0.05 0.00 0.00 -0.00 0.00 0.00 58.65 58.67 2ncm h GLN 49 Cb 1.24 0.17 0.00 0.00 -0.00 0.00 0.00 27.48 28.89 2ncm h GLN 49 CO 0.01 -0.46 0.00 1.04 -0.00 0.00 0.00 178.83 179.43 2ncm n GLN 50 N -5.30 0.47 0.20 0.06 1.13 -1.26 -5.01 117.38 107.67 2ncm n GLN 50 Ca -0.10 0.00 0.17 0.00 -1.94 0.00 0.00 57.00 55.13 2ncm n GLN 50 Cb 0.32 0.00 0.70 0.00 0.11 0.00 0.00 30.24 31.38 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 -6.05 -1.09 3.08 -1.94 -3.37 114.38 105.01 2ncm h ARG 51 Ca 0.00 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.46 2ncm h ARG 51 Cb 0.00 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 29.94 2ncm h ARG 51 CO 0.00 0.00 0.68 0.42 -1.07 0.00 0.00 179.97 180.00 2ncm s ILE 52 N -4.33 4.28 -0.27 2.04 1.01 -1.26 -2.16 121.20 120.51 2ncm s ILE 52 Ca -0.03 0.44 -0.04 0.00 0.00 0.00 0.00 60.65 61.02 2ncm s ILE 52 Cb 0.11 -4.59 0.02 0.00 0.01 0.00 0.00 42.46 38.00 2ncm s ILE 52 CO 0.38 -1.18 0.01 -0.55 0.00 0.00 0.00 174.94 173.60 2ncm s SER 53 N 2.89 4.72 0.34 3.58 0.15 0.13 -4.57 113.70 120.94 2ncm s SER 53 Ca 0.34 -0.76 -0.14 0.00 0.70 0.00 0.00 55.95 56.08 2ncm s SER 53 Cb -0.11 -1.77 -0.08 0.00 -1.71 0.00 0.00 66.02 62.34 2ncm s SER 53 CO 0.21 -0.15 0.74 -0.69 1.20 0.00 0.00 173.24 174.55 2ncm s VAL 54 N 1.42 4.70 -0.05 4.45 1.01 -1.23 -1.69 120.40 129.01 2ncm s VAL 54 Ca 0.02 0.89 -0.04 0.00 0.00 0.00 0.00 61.98 62.84 2ncm s VAL 54 Cb -0.17 -3.63 0.01 0.00 0.00 0.00 0.00 36.38 32.59 2ncm s VAL 54 CO -0.01 -0.25 0.13 0.54 0.00 0.00 0.00 175.10 175.51 2ncm s VAL 55 N -2.06 -0.00 -0.37 2.92 0.11 -0.73 -4.87 120.40 115.40 2ncm s VAL 55 Ca 0.54 0.01 -0.07 0.00 -2.93 0.00 0.00 61.98 59.53 2ncm s VAL 55 Cb -0.10 -0.18 0.06 0.00 -1.53 0.00 0.00 36.38 34.62 2ncm s VAL 55 CO 0.20 0.01 0.16 0.26 -3.33 0.00 0.00 175.10 172.39 2ncm s TRP 56 N 0.15 3.31 0.00 1.54 0.51 -1.26 -1.19 118.94 122.00 2ncm s TRP 56 Ca -0.01 -1.56 0.00 0.00 -2.12 0.00 0.00 56.10 52.41 2ncm s TRP 56 Cb -0.02 -2.57 0.00 0.00 -0.81 0.00 0.00 33.47 30.08 2ncm s TRP 56 CO -0.00 -0.79 0.00 0.09 -0.51 0.00 0.00 176.95 175.74 2ncm n ASN 57 N 4.82 0.00 -3.49 2.95 3.02 -0.59 -5.00 115.26 116.97 2ncm n ASN 57 Ca -0.11 0.04 -0.26 0.00 -0.03 0.00 0.00 54.58 54.22 2ncm n ASN 57 Cb 0.44 -0.11 0.21 0.00 -0.61 0.00 0.00 39.78 39.71 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 -1.38 -1.44 -0.17 6.41 8.00 -1.12 -4.92 116.55 121.94 2ncm n ASP 58 Ca 0.00 -1.17 0.08 0.00 0.71 0.00 0.00 54.79 54.41 2ncm n ASP 58 Cb 0.00 -0.88 0.39 0.00 -0.02 0.00 0.00 41.12 40.60 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 -2.26 0.60 0.00 -2.24 3.58 -2.00 -3.27 116.42 110.83 2ncm h ASP 59 Ca -0.37 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.09 2ncm h ASP 59 Cb 1.09 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 42.02 2ncm h ASP 59 CO 0.24 0.37 0.00 0.47 -2.88 0.00 0.00 179.24 177.45 2ncm n ASP 60 N -4.49 0.41 -4.82 2.28 8.00 -1.26 -4.97 116.55 111.69 2ncm n ASP 60 Ca 0.11 -1.15 -0.36 0.00 0.71 0.00 0.00 54.79 54.10 2ncm n ASP 60 Cb 0.29 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.32 2ncm n ASP 60 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2ncm s SER 61 N -0.15 6.25 -0.13 -2.24 1.04 -1.23 -4.59 113.70 112.65 2ncm s SER 61 Ca 0.00 0.38 -0.10 0.00 0.48 0.00 0.00 55.95 56.71 2ncm s SER 61 Cb 0.00 -2.03 0.04 0.00 0.10 0.00 0.00 66.02 64.12 2ncm s SER 61 CO 0.00 0.35 0.33 -0.44 0.98 0.00 0.00 173.24 174.45 2ncm s SER 62 N -0.65 -0.35 -0.08 7.02 0.01 -0.86 -1.54 113.70 117.24 2ncm s SER 62 Ca 0.13 0.67 -0.01 0.00 1.31 0.00 0.00 55.95 58.05 2ncm s SER 62 Cb -0.12 0.64 -0.03 0.00 0.21 0.00 0.00 66.02 66.72 2ncm s SER 62 CO 0.02 -0.13 -0.04 -0.89 0.41 0.00 0.00 173.24 172.61 2ncm s THR 63 N 0.54 3.98 -0.37 1.44 2.01 -0.33 -1.44 115.64 121.46 2ncm s THR 63 Ca -0.03 -0.37 -0.18 0.00 0.31 0.00 0.00 61.69 61.42 2ncm s THR 63 Cb -0.05 -2.65 0.00 0.00 0.01 0.00 0.00 72.50 69.81 2ncm s THR 63 CO -0.03 0.60 0.48 -0.22 -0.69 0.00 0.00 174.62 174.75 2ncm s LEU 64 N -0.77 4.48 -0.06 4.42 2.96 -0.71 -1.78 118.68 127.22 2ncm s LEU 64 Ca 0.12 -0.22 -0.08 0.00 -0.22 0.00 0.00 54.13 53.73 2ncm s LEU 64 Cb -0.11 -2.51 -0.04 0.00 0.50 0.00 0.00 46.19 44.03 2ncm s LEU 64 CO 0.02 -0.49 0.21 -0.89 -1.32 0.00 0.00 176.35 173.88 2ncm s THR 65 N 2.30 5.38 -0.36 3.68 2.01 -0.68 -1.48 115.64 126.49 2ncm s THR 65 Ca 0.16 0.28 0.00 0.00 0.31 0.00 0.00 61.69 62.44 2ncm s THR 65 Cb -0.16 -3.50 0.14 0.00 0.01 0.00 0.00 72.50 68.99 2ncm s THR 65 CO 0.13 0.54 0.21 -0.63 -0.69 0.00 0.00 174.62 174.18 2ncm s ILE 66 N -1.12 0.36 0.00 1.82 1.01 -0.16 -0.69 121.20 122.42 2ncm s ILE 66 Ca 0.20 -1.79 0.00 0.00 0.00 0.00 0.00 60.65 59.06 2ncm s ILE 66 Cb -0.13 -1.27 0.00 0.00 0.01 0.00 0.00 42.46 41.07 2ncm s ILE 66 CO 0.09 -0.95 0.00 -1.22 0.00 0.00 0.00 174.94 172.86 2ncm n TYR 67 N 4.05 0.00 -1.55 3.97 4.01 -0.92 -1.41 117.16 125.32 2ncm n TYR 67 Ca 0.10 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.61 2ncm n TYR 67 Cb 0.37 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.32 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 1.47 -4.77 7.72 4.05 -1.26 -3.47 115.26 118.99 2ncm n ASN 68 Ca 0.00 -0.97 -0.36 0.00 0.45 0.00 0.00 54.58 53.70 2ncm n ASN 68 Cb 0.00 -1.46 -0.01 0.00 1.23 0.00 0.00 39.78 39.54 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 11.94 2.86 0.03 5.20 0.00 -1.12 -4.83 121.76 135.84 2ncm s ALA 69 Ca 1.02 0.85 -0.02 0.00 0.00 0.00 0.00 51.96 53.82 2ncm s ALA 69 Cb -0.31 -3.36 -0.02 0.00 0.00 0.00 0.00 23.12 19.43 2ncm s ALA 69 CO 0.22 -0.65 0.00 -0.80 0.00 0.00 0.00 175.76 174.54 2ncm s ASN 70 N -1.58 0.28 0.61 0.00 0.01 -1.26 -2.87 114.94 110.13 2ncm s ASN 70 Ca 0.67 -0.62 0.30 0.00 -0.71 0.00 0.00 52.86 52.50 2ncm s ASN 70 Cb -0.25 0.16 1.62 0.00 0.41 0.00 0.00 41.25 43.18 2ncm s ASN 70 CO 0.30 -0.42 1.99 0.16 -1.51 0.00 0.00 177.10 177.61 2ncm h ILE 71 N 4.04 0.28 -0.23 0.60 3.07 -1.95 0.35 117.51 123.67 2ncm h ILE 71 Ca -0.33 0.00 -0.17 0.00 1.55 0.00 0.00 64.86 65.91 2ncm h ILE 71 Cb 1.19 0.71 0.00 0.00 -0.27 0.00 0.00 36.82 38.45 2ncm h ILE 71 CO 0.49 0.00 -0.53 0.44 -1.05 0.00 0.00 178.15 177.50 2ncm h ASP 72 N 0.00 0.86 -0.11 2.16 5.19 -1.96 -3.15 116.42 119.42 2ncm h ASP 72 Ca 0.11 -0.56 -0.09 0.00 -0.62 0.00 0.00 57.03 55.87 2ncm h ASP 72 Cb 0.77 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 40.02 2ncm h ASP 72 CO -0.00 1.26 -0.20 0.44 -3.12 0.00 0.00 179.24 177.63 2ncm h ASP 73 N 0.50 0.51 -0.75 6.45 3.32 -1.35 -3.43 116.42 121.67 2ncm h ASP 73 Ca -0.00 -0.16 -0.47 0.00 0.02 0.00 0.00 57.03 56.42 2ncm h ASP 73 Cb 1.14 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 40.51 2ncm h ASP 73 CO 0.12 0.72 1.68 0.00 -1.72 0.00 0.00 179.24 180.03 2ncm n ALA 74 N -2.48 0.53 -3.85 3.45 0.00 -0.94 -4.80 120.51 112.42 2ncm n ALA 74 Ca 0.00 -0.62 0.01 0.00 0.00 0.00 0.00 53.44 52.83 2ncm n ALA 74 Cb 0.38 -2.73 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 10.39 -0.15 -0.71 0.00 0.00 0.19 -4.86 107.32 112.18 2ncm s GLY 75 Ca 1.18 0.13 -0.27 0.00 0.00 0.00 0.00 44.72 45.75 2ncm s GLY 75 CO 0.38 3.04 1.25 -0.42 0.00 0.00 0.00 173.10 177.35 2ncm s ILE 76 N -2.24 3.79 1.04 0.90 1.01 -1.26 -1.80 121.20 122.63 2ncm s ILE 76 Ca 0.22 0.48 -0.14 0.00 0.00 0.00 0.00 60.65 61.21 2ncm s ILE 76 Cb 0.00 -4.88 0.21 0.00 0.01 0.00 0.00 42.46 37.80 2ncm s ILE 76 CO 0.00 -1.75 1.12 -0.31 0.00 0.00 0.00 174.94 174.00 2ncm s TYR 77 N 5.54 1.74 0.09 3.97 1.51 -0.68 -2.94 117.35 126.59 2ncm s TYR 77 Ca 0.36 0.79 0.02 0.00 -1.01 0.00 0.00 57.07 57.23 2ncm s TYR 77 Cb -0.08 -3.38 -0.04 0.00 -0.11 0.00 0.00 41.96 38.35 2ncm s TYR 77 CO 0.17 -3.06 -0.07 0.21 -1.11 0.00 0.00 175.55 171.69 2ncm s LYS 78 N -5.19 0.79 -0.10 -0.62 2.20 0.12 -2.00 119.74 114.94 2ncm s LYS 78 Ca 0.67 -1.23 -0.03 0.00 -0.36 0.00 0.00 55.97 55.02 2ncm s LYS 78 Cb -0.15 -0.26 0.05 0.00 -1.51 0.00 0.00 37.83 35.97 2ncm s LYS 78 CO 0.56 0.00 0.15 0.00 -0.36 0.00 0.00 175.35 175.71 2ncm s VAL 80 N 2.28 1.37 -0.13 0.00 1.01 -0.82 0.11 120.40 124.23 2ncm s VAL 80 Ca 0.04 -0.65 0.01 0.00 0.00 0.00 0.00 61.98 61.37 2ncm s VAL 80 Cb -0.13 -1.20 -0.01 0.00 0.00 0.00 0.00 36.38 35.04 2ncm s VAL 80 CO -0.06 0.40 -0.15 0.54 0.00 0.00 0.00 175.10 175.83 2ncm s VAL 81 N 0.28 2.86 0.07 2.92 0.11 -0.85 0.82 120.40 126.61 2ncm s VAL 81 Ca -0.09 -0.73 0.05 0.00 -2.93 0.00 0.00 61.98 58.28 2ncm s VAL 81 Cb -0.13 -2.19 -0.04 0.00 -1.53 0.00 0.00 36.38 32.49 2ncm s VAL 81 CO 0.03 0.53 -0.05 -0.89 -3.33 0.00 0.00 175.10 171.39 2ncm s THR 82 N 0.39 3.70 0.53 5.04 2.01 -0.83 -1.55 115.64 124.93 2ncm s THR 82 Ca -0.12 -1.02 0.05 0.00 0.31 0.00 0.00 61.69 60.92 2ncm s THR 82 Cb -0.16 -2.71 0.05 0.00 0.01 0.00 0.00 72.50 69.69 2ncm s THR 82 CO 0.06 0.20 0.74 0.00 -0.69 0.00 0.00 174.62 174.92 2ncm s ALA 83 N -1.19 4.28 0.08 7.40 0.00 0.38 -0.80 121.76 131.91 2ncm s ALA 83 Ca 0.22 -1.69 -0.19 0.00 0.00 0.00 0.00 51.96 50.30 2ncm s ALA 83 Cb -0.11 -1.77 -0.09 0.00 0.00 0.00 0.00 23.12 21.15 2ncm s ALA 83 CO 0.14 -0.71 1.52 1.49 0.00 0.00 0.00 175.76 178.20 2ncm h GLU 84 N 0.21 0.40 0.00 0.00 4.57 -1.90 -3.04 114.58 114.82 2ncm h GLU 84 Ca -0.38 -0.12 -0.10 0.00 -1.18 0.00 0.00 59.36 57.57 2ncm h GLU 84 Cb 1.28 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.82 2ncm h GLU 84 CO 0.45 0.58 -0.49 0.38 -1.18 0.00 0.00 179.01 178.75 2ncm h ASP 85 N 0.18 0.00 0.00 1.04 2.03 -2.03 -3.47 116.42 114.17 2ncm h ASP 85 Ca 0.07 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.37 2ncm h ASP 85 Cb 0.39 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.89 2ncm h ASP 85 CO 0.01 0.49 0.00 0.61 -1.03 0.00 0.00 179.24 179.32 2ncm n GLY 86 N 0.20 0.86 3.59 7.15 0.00 -1.15 -5.10 105.19 110.74 2ncm n GLY 86 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2ncm n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ncm s THR 87 N -0.47 3.05 -0.08 2.61 2.01 -1.26 -4.51 115.64 116.98 2ncm s THR 87 Ca 0.00 0.04 0.05 0.00 0.31 0.00 0.00 61.69 62.09 2ncm s THR 87 Cb 0.00 -3.07 -0.01 0.00 0.01 0.00 0.00 72.50 69.44 2ncm s THR 87 CO 0.00 -0.05 -0.24 0.00 -0.69 0.00 0.00 174.62 173.64 2ncm s GLN 88 N 6.68 2.84 -0.16 4.92 -2.07 -1.26 -0.47 119.66 130.13 2ncm s GLN 88 Ca 0.98 -0.88 -0.01 0.00 -1.82 0.00 0.00 55.36 53.63 2ncm s GLN 88 Cb -0.29 -2.25 -0.01 0.00 -1.09 0.00 0.00 33.01 29.37 2ncm s GLN 88 CO 0.33 0.27 -0.12 0.45 -1.32 0.00 0.00 175.29 174.90 2ncm s SER 89 N 0.11 3.91 0.45 12.60 0.15 -0.60 -4.96 113.70 125.36 2ncm s SER 89 Ca -0.12 -0.41 0.06 0.00 0.70 0.00 0.00 55.95 56.18 2ncm s SER 89 Cb -0.16 -1.62 0.06 0.00 -1.71 0.00 0.00 66.02 62.59 2ncm s SER 89 CO 0.06 0.08 0.48 -1.84 1.20 0.00 0.00 173.24 173.23 2ncm n GLU 90 N 4.09 0.77 -3.88 5.44 0.28 -1.26 -2.00 120.64 124.07 2ncm n GLU 90 Ca -0.19 -2.61 -0.08 0.00 -0.16 0.00 0.00 57.16 54.12 2ncm n GLU 90 Cb 0.52 0.06 -0.02 0.00 1.43 0.00 0.00 31.44 33.43 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 -2.59 -0.88 0.06 -1.84 0.00 0.12 -4.70 121.76 111.92 2ncm s ALA 91 Ca 0.36 -0.55 -0.14 0.00 0.00 0.00 0.00 51.96 51.63 2ncm s ALA 91 Cb -0.03 0.86 0.02 0.00 0.00 0.00 0.00 23.12 23.97 2ncm s ALA 91 CO 0.23 -0.99 0.33 0.95 0.00 0.00 0.00 175.76 176.28 2ncm s THR 92 N -3.53 0.08 -0.15 0.00 -4.23 -1.26 -1.90 115.64 104.66 2ncm s THR 92 Ca 0.15 -0.68 -0.04 0.00 -1.18 0.00 0.00 61.69 59.93 2ncm s THR 92 Cb -0.05 -1.03 0.07 0.00 1.34 0.00 0.00 72.50 72.83 2ncm s THR 92 CO 0.09 -0.38 0.20 0.54 -0.54 0.00 0.00 174.62 174.53 2ncm s VAL 93 N -2.94 -0.31 -0.77 2.29 0.11 -0.85 -4.67 120.40 113.26 2ncm s VAL 93 Ca -0.02 0.12 -0.25 0.00 -2.93 0.00 0.00 61.98 58.89 2ncm s VAL 93 Cb 0.00 -0.50 -0.03 0.00 -1.53 0.00 0.00 36.38 34.32 2ncm s VAL 93 CO -0.06 -0.03 1.88 0.21 -3.33 0.00 0.00 175.10 173.78 2ncm s ASN 94 N 2.32 5.25 -0.34 3.54 3.04 -0.60 -1.68 114.94 126.48 2ncm s ASN 94 Ca 0.04 -0.24 -0.16 0.00 0.04 0.00 0.00 52.86 52.54 2ncm s ASN 94 Cb -0.14 -2.55 -0.01 0.00 -1.54 0.00 0.00 41.25 37.01 2ncm s ASN 94 CO -0.09 -2.53 0.40 -0.69 -3.04 0.00 0.00 177.10 171.14 2ncm s VAL 95 N 9.42 5.13 0.15 -5.21 1.01 -0.75 -1.35 120.40 128.81 2ncm s VAL 95 Ca 0.67 0.15 0.03 0.00 0.00 0.00 0.00 61.98 62.83 2ncm s VAL 95 Cb -0.09 -3.85 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 2ncm s VAL 95 CO 0.09 -0.10 0.26 -0.75 0.00 0.00 0.00 175.10 174.59 2ncm s LYS 96 N 2.11 3.34 -0.12 2.72 2.20 -0.73 0.55 119.74 129.81 2ncm s LYS 96 Ca 0.14 -0.65 -0.05 0.00 -0.36 0.00 0.00 55.97 55.04 2ncm s LYS 96 Cb -0.16 -2.91 0.06 0.00 -1.51 0.00 0.00 37.83 33.31 2ncm s LYS 96 CO 0.12 0.51 0.26 0.42 -0.36 0.00 0.00 175.35 176.30 2ncm s ILE 97 N -1.75 -0.30 -0.16 5.43 1.01 -1.25 -1.85 121.20 122.32 2ncm s ILE 97 Ca 0.34 0.24 -0.03 0.00 0.00 0.00 0.00 60.65 61.21 2ncm s ILE 97 Cb -0.11 -0.42 -0.02 0.00 0.01 0.00 0.00 42.46 41.92 2ncm s ILE 97 CO 0.28 0.10 -0.07 0.72 0.00 0.00 0.00 174.94 175.97 2ncm s PHE 98 N 2.08 2.94 -2.21 3.97 -0.71 -0.79 -4.63 117.98 118.62 2ncm s PHE 98 Ca -0.02 -0.56 0.30 0.00 -1.04 0.00 0.00 56.93 55.62 2ncm s PHE 98 Cb -0.11 -1.95 1.55 0.00 -1.21 0.00 0.00 43.02 41.29 2ncm s PHE 98 CO -0.09 -0.21 2.03 0.94 -1.34 0.00 0.00 175.22 176.55