#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 4.18 -0.31 5.15 -7.23 -1.26 -4.98 120.40 115.96 2ncm s VAL 2 Ca 0.00 -1.44 -0.11 0.00 -1.81 0.00 0.00 61.98 58.62 2ncm s VAL 2 Cb 0.00 -3.58 0.19 0.00 0.56 0.00 0.00 36.38 33.55 2ncm s VAL 2 CO 0.00 -0.52 1.06 -0.22 -0.31 0.00 0.00 175.10 175.11 2ncm s LEU 3 N 1.41 -0.32 -0.01 1.32 2.96 -1.23 -3.93 118.68 118.89 2ncm s LEU 3 Ca 0.03 -0.08 0.08 0.00 -0.22 0.00 0.00 54.13 53.94 2ncm s LEU 3 Cb -0.23 0.73 -0.02 0.00 0.50 0.00 0.00 46.19 47.17 2ncm s LEU 3 CO 0.02 -0.04 -0.24 -1.58 -1.32 0.00 0.00 176.35 173.18 2ncm s GLN 4 N 2.38 1.93 -0.13 1.98 2.00 0.56 -4.85 119.66 123.53 2ncm s GLN 4 Ca 0.20 -0.89 -0.11 0.00 -2.00 0.00 0.00 55.36 52.56 2ncm s GLN 4 Cb 0.01 -1.90 0.04 0.00 0.80 0.00 0.00 33.01 31.96 2ncm s GLN 4 CO -0.18 0.52 0.34 0.08 -0.50 0.00 0.00 175.29 175.54 2ncm s VAL 5 N -0.60 -0.01 -0.28 1.34 1.01 -1.26 -1.71 120.40 118.88 2ncm s VAL 5 Ca 0.09 0.03 -0.12 0.00 0.00 0.00 0.00 61.98 61.98 2ncm s VAL 5 Cb -0.09 -0.48 0.11 0.00 0.00 0.00 0.00 36.38 35.92 2ncm s VAL 5 CO -0.01 0.01 0.64 -1.81 0.00 0.00 0.00 175.10 173.94 2ncm s ASP 6 N 0.45 -1.01 0.07 3.32 1.01 -0.84 -4.72 116.67 114.94 2ncm s ASP 6 Ca -0.02 1.50 -0.18 0.00 0.71 0.00 0.00 52.55 54.56 2ncm s ASP 6 Cb -0.04 1.89 -0.07 0.00 1.01 0.00 0.00 42.92 45.72 2ncm s ASP 6 CO -0.02 -0.23 0.55 -0.63 0.21 0.00 0.00 175.17 175.05 2ncm s ILE 7 N 2.41 4.78 -0.04 0.77 1.01 -1.26 -1.79 121.20 127.08 2ncm s ILE 7 Ca -0.07 1.15 0.03 0.00 0.00 0.00 0.00 60.65 61.76 2ncm s ILE 7 Cb -0.10 -3.87 0.00 0.00 0.01 0.00 0.00 42.46 38.51 2ncm s ILE 7 CO -0.19 0.55 -0.14 -0.69 0.00 0.00 0.00 174.94 174.47 2ncm s VAL 8 N -1.12 1.21 0.96 2.92 1.01 -0.69 -4.16 120.40 120.53 2ncm s VAL 8 Ca 0.29 -0.58 -0.15 0.00 0.00 0.00 0.00 61.98 61.54 2ncm s VAL 8 Cb -0.19 -1.06 0.17 0.00 0.00 0.00 0.00 36.38 35.31 2ncm s VAL 8 CO 0.18 0.36 1.20 -2.16 0.00 0.00 0.00 175.10 174.68 2ncm s PRO 9 N 0.20 0.71 0.00 2.72 0.04 -1.26 -1.53 135.00 135.88 2ncm s PRO 9 Ca -0.06 -0.02 -0.24 0.00 0.04 0.00 0.00 61.00 60.72 2ncm s PRO 9 Cb -0.12 -1.82 -0.18 0.00 0.04 0.00 0.00 34.50 32.42 2ncm s PRO 9 CO 0.02 -2.43 1.32 0.66 0.04 0.00 0.00 177.00 176.61 2ncm h SER 10 N -1.66 0.10 -3.37 6.66 4.64 -1.93 -3.43 113.55 114.56 2ncm h SER 10 Ca -0.47 -0.45 -0.57 0.00 -0.47 0.00 0.00 61.79 59.83 2ncm h SER 10 Cb 1.29 -0.03 -0.38 0.00 -0.31 0.00 0.00 62.40 62.98 2ncm h SER 10 CO 0.50 0.53 -0.79 0.00 -0.87 0.00 0.00 176.83 176.21 2ncm s GLN 11 N -4.39 1.49 -0.59 4.77 -2.07 -1.26 -1.39 119.66 116.21 2ncm s GLN 11 Ca -0.15 -0.61 -0.05 0.00 -1.82 0.00 0.00 55.36 52.73 2ncm s GLN 11 Cb 0.03 -2.13 0.15 0.00 -1.09 0.00 0.00 33.01 29.97 2ncm s GLN 11 CO 0.69 -0.46 0.43 0.20 -1.32 0.00 0.00 175.29 174.83 2ncm s GLY 12 N 1.59 2.38 0.07 2.60 0.00 -0.62 -5.00 107.32 108.35 2ncm s GLY 12 Ca -0.00 -3.06 -0.30 0.00 0.00 0.00 0.00 44.72 41.35 2ncm s GLY 12 CO -0.08 1.11 0.97 -0.54 0.00 0.00 0.00 173.10 174.56 2ncm s GLU 13 N 0.33 4.65 0.13 2.90 2.02 -1.26 -1.96 118.70 125.51 2ncm s GLU 13 Ca 0.14 1.44 -0.05 0.00 0.02 0.00 0.00 54.97 56.53 2ncm s GLU 13 Cb -0.20 -3.41 -0.02 0.00 0.10 0.00 0.00 34.13 30.59 2ncm s GLU 13 CO -0.04 0.11 0.14 0.42 0.02 0.00 0.00 175.26 175.92 2ncm s ILE 14 N 0.38 0.11 0.07 -1.63 1.09 -0.71 -4.93 121.20 115.58 2ncm s ILE 14 Ca 0.49 -1.63 0.00 0.00 -1.10 0.00 0.00 60.65 58.41 2ncm s ILE 14 Cb -0.22 -1.83 -0.04 0.00 -1.06 0.00 0.00 42.46 39.30 2ncm s ILE 14 CO 0.29 -0.49 0.20 -0.94 -0.10 0.00 0.00 174.94 173.91 2ncm s SER 15 N -2.98 6.29 0.25 3.58 1.04 -1.26 -1.98 113.70 118.63 2ncm s SER 15 Ca 0.18 0.24 -0.30 0.00 0.48 0.00 0.00 55.95 56.55 2ncm s SER 15 Cb 0.06 -1.92 -0.10 0.00 0.10 0.00 0.00 66.02 64.16 2ncm s SER 15 CO -0.02 0.16 1.41 -0.69 0.98 0.00 0.00 173.24 175.09 2ncm s VAL 16 N -1.51 2.73 0.00 5.02 1.01 -0.82 -2.24 120.40 124.59 2ncm s VAL 16 Ca 0.34 0.62 0.00 0.00 0.00 0.00 0.00 61.98 62.95 2ncm s VAL 16 Cb -0.13 -3.40 0.00 0.00 0.00 0.00 0.00 36.38 32.85 2ncm s VAL 16 CO 0.28 0.10 0.00 0.61 0.00 0.00 0.00 175.10 176.09 2ncm n GLY 17 N 2.12 1.78 3.51 4.51 0.00 -0.75 -5.00 105.19 111.36 2ncm n GLY 17 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.99 2.12 0.79 1.61 -1.05 -0.95 -4.84 118.70 115.39 2ncm s GLU 18 Ca 0.00 -0.98 -0.12 0.00 -0.15 0.00 0.00 54.97 53.73 2ncm s GLU 18 Cb 0.00 -2.25 0.07 0.00 -0.44 0.00 0.00 34.13 31.51 2ncm s GLU 18 CO 0.00 0.54 1.15 -1.54 0.95 0.00 0.00 175.26 176.36 2ncm s SER 19 N -1.69 4.64 -0.29 0.83 1.04 -0.67 -4.36 113.70 113.20 2ncm s SER 19 Ca 0.17 0.89 -0.11 0.00 0.48 0.00 0.00 55.95 57.39 2ncm s SER 19 Cb -0.11 -1.47 0.12 0.00 0.10 0.00 0.00 66.02 64.66 2ncm s SER 19 CO 0.08 -1.83 0.63 -1.59 0.98 0.00 0.00 173.24 171.51 2ncm s LYS 20 N -5.49 0.57 -0.01 4.02 -2.85 -0.63 -4.97 119.74 110.38 2ncm s LYS 20 Ca 0.61 1.39 0.05 0.00 -1.00 0.00 0.00 55.97 57.03 2ncm s LYS 20 Cb -0.11 0.73 -0.03 0.00 -2.06 0.00 0.00 37.83 36.36 2ncm s LYS 20 CO 0.50 -0.20 -0.16 -0.59 0.10 0.00 0.00 175.35 175.00 2ncm s PHE 21 N 2.70 2.63 -0.22 1.78 -0.12 -1.26 -1.33 117.98 122.16 2ncm s PHE 21 Ca -0.06 -0.21 -0.00 0.00 -0.05 0.00 0.00 56.93 56.60 2ncm s PHE 21 Cb -0.11 -1.55 0.02 0.00 -0.63 0.00 0.00 43.02 40.75 2ncm s PHE 21 CO -0.19 0.20 -0.12 -0.06 -0.05 0.00 0.00 175.22 175.00 2ncm s PHE 22 N -0.81 2.96 -0.48 3.49 0.40 -0.81 -4.81 117.98 117.93 2ncm s PHE 22 Ca 0.13 -1.63 -0.27 0.00 -0.60 0.00 0.00 56.93 54.55 2ncm s PHE 22 Cb -0.11 -1.99 0.03 0.00 0.51 0.00 0.00 43.02 41.47 2ncm s PHE 22 CO 0.03 -0.76 1.04 -1.17 0.70 0.00 0.00 175.22 175.05 2ncm s LEU 23 N 1.30 3.80 -0.49 -0.37 2.96 -0.58 -1.83 118.68 123.47 2ncm s LEU 23 Ca 0.02 0.28 -0.21 0.00 -0.22 0.00 0.00 54.13 53.99 2ncm s LEU 23 Cb -0.15 -3.37 0.04 0.00 0.50 0.00 0.00 46.19 43.21 2ncm s LEU 23 CO -0.08 -1.17 0.74 0.00 -1.32 0.00 0.00 176.35 174.52 2ncm s GLN 25 N 3.12 3.19 0.32 0.00 1.11 -0.74 -1.96 119.66 124.70 2ncm s GLN 25 Ca 0.23 -0.33 -0.03 0.00 0.01 0.00 0.00 55.36 55.24 2ncm s GLN 25 Cb -0.15 -2.53 -0.00 0.00 -1.01 0.00 0.00 33.01 29.32 2ncm s GLN 25 CO 0.17 -0.23 0.44 0.14 0.01 0.00 0.00 175.29 175.82 2ncm s VAL 26 N -2.58 0.00 -0.30 1.09 -7.23 -1.26 -1.99 120.40 108.13 2ncm s VAL 26 Ca 0.47 -1.63 -0.05 0.00 -1.81 0.00 0.00 61.98 58.96 2ncm s VAL 26 Cb -0.10 -2.56 0.19 0.00 0.56 0.00 0.00 36.38 34.46 2ncm s VAL 26 CO 0.39 0.00 0.79 0.00 -0.31 0.00 0.00 175.10 175.97 2ncm s ALA 27 N -3.30 -2.81 0.00 1.32 0.00 -0.70 -4.92 121.76 111.35 2ncm s ALA 27 Ca 0.31 1.60 0.00 0.00 0.00 0.00 0.00 51.96 53.87 2ncm s ALA 27 Cb 0.00 -2.36 0.00 0.00 0.00 0.00 0.00 23.12 20.76 2ncm s ALA 27 CO 0.18 -1.46 0.00 0.41 0.00 0.00 0.00 175.76 174.89 2ncm n GLY 28 N 5.43 3.76 2.54 0.00 0.00 -1.26 -0.33 105.19 115.33 2ncm n GLY 28 Ca -0.02 -0.26 -0.40 0.00 0.00 0.00 0.00 46.02 45.34 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 7.80 -0.79 1.61 9.92 -1.26 -4.73 116.55 129.09 2ncm n ASP 29 Ca 0.00 -3.32 0.02 0.00 -0.53 0.00 0.00 54.79 50.96 2ncm n ASP 29 Cb 0.00 -1.30 0.11 0.00 -0.64 0.00 0.00 41.12 39.29 2ncm n ASP 29 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2ncm n ALA 30 N 1.17 2.81 -0.98 2.24 0.00 -1.25 -4.94 120.51 119.56 2ncm n ALA 30 Ca 0.57 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2ncm n ALA 30 Cb 0.25 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.68 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 0.16 0.00 -0.07 0.00 4.01 -1.26 -3.67 118.16 117.33 2ncm n LYS 31 Ca 0.08 0.00 0.25 0.00 -0.51 0.00 0.00 58.31 58.12 2ncm n LYS 31 Cb 0.45 0.00 0.72 0.00 -0.51 0.00 0.00 35.03 35.69 2ncm n LYS 31 CO 0.00 0.00 0.00 0.22 -1.11 0.00 0.00 177.40 176.51 2ncm h ASP 32 N 0.00 0.00 -0.07 4.39 3.58 -1.86 -3.46 116.42 119.00 2ncm h ASP 32 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2ncm h ASP 32 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 2ncm h ASP 32 CO 0.00 0.00 0.00 0.29 -2.88 0.00 0.00 179.24 176.65 2ncm n LYS 33 N -4.08 0.00 -3.53 0.28 4.76 -0.89 -4.86 118.16 109.84 2ncm n LYS 33 Ca 0.14 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 55.16 2ncm n LYS 33 Cb 0.82 0.00 -0.11 0.00 -1.84 0.00 0.00 35.03 33.90 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 -0.00 5.95 0.50 4.39 1.01 -0.80 -4.84 116.67 122.87 2ncm s ASP 34 Ca 0.00 -0.82 -0.21 0.00 0.71 0.00 0.00 52.55 52.23 2ncm s ASP 34 Cb 0.00 -2.10 -0.07 0.00 1.01 0.00 0.00 42.92 41.76 2ncm s ASP 34 CO 0.00 -0.38 1.12 -0.63 0.21 0.00 0.00 175.17 175.49 2ncm s ILE 35 N 1.64 3.28 0.05 0.77 -1.09 -1.26 -1.94 121.20 122.65 2ncm s ILE 35 Ca 0.04 0.86 -0.07 0.00 -2.23 0.00 0.00 60.65 59.25 2ncm s ILE 35 Cb -0.19 -3.38 -0.01 0.00 -1.58 0.00 0.00 42.46 37.31 2ncm s ILE 35 CO 0.09 -0.11 0.13 -0.44 -1.23 0.00 0.00 174.94 173.38 2ncm s SER 36 N -1.67 0.15 -0.07 3.58 0.01 0.16 -4.94 113.70 110.92 2ncm s SER 36 Ca 0.68 -0.54 -0.01 0.00 1.31 0.00 0.00 55.95 57.40 2ncm s SER 36 Cb -0.24 0.26 0.03 0.00 0.21 0.00 0.00 66.02 66.28 2ncm s SER 36 CO 0.28 -0.57 -0.02 0.26 0.41 0.00 0.00 173.24 173.61 2ncm s TRP 37 N -2.91 0.77 -0.26 2.43 0.52 -1.26 -1.65 118.94 116.58 2ncm s TRP 37 Ca -0.02 -0.24 0.02 0.00 0.02 0.00 0.00 56.10 55.88 2ncm s TRP 37 Cb 0.01 -0.82 0.06 0.00 -1.15 0.00 0.00 33.47 31.56 2ncm s TRP 37 CO -0.06 -0.32 -0.11 -0.06 0.02 0.00 0.00 176.95 176.42 2ncm s PHE 38 N 1.74 3.23 0.69 -1.98 0.40 -0.85 -1.84 117.98 119.37 2ncm s PHE 38 Ca 0.02 -2.23 -0.16 0.00 -0.60 0.00 0.00 56.93 53.96 2ncm s PHE 38 Cb -0.13 -1.95 0.01 0.00 0.51 0.00 0.00 43.02 41.47 2ncm s PHE 38 CO -0.05 -0.87 1.22 -1.12 0.70 0.00 0.00 175.22 175.11 2ncm s SER 39 N 1.13 4.48 0.51 1.36 0.01 0.69 -0.53 113.70 121.35 2ncm s SER 39 Ca -0.07 2.40 0.18 0.00 1.31 0.00 0.00 55.95 59.77 2ncm s SER 39 Cb -0.19 -2.60 0.63 0.00 0.21 0.00 0.00 66.02 64.07 2ncm s SER 39 CO -0.05 -2.07 1.04 -0.81 0.41 0.00 0.00 173.24 171.75 2ncm n PRO 40 N -2.35 0.01 -0.00 12.44 -0.04 -1.24 -0.60 135.00 143.22 2ncm n PRO 40 Ca 0.14 0.84 0.00 0.00 -0.04 0.00 0.00 63.50 64.44 2ncm n PRO 40 Cb 0.50 -2.13 0.00 0.00 -0.04 0.00 0.00 33.50 31.83 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 -2.79 0.24 -2.26 3.54 5.15 -1.26 -4.85 115.26 113.04 2ncm n ASN 41 Ca 0.16 -2.00 -0.15 0.00 -0.60 0.00 0.00 54.58 51.99 2ncm n ASN 41 Cb 1.21 -0.11 0.04 0.00 -0.53 0.00 0.00 39.78 40.38 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 0.40 -0.04 3.02 8.20 0.00 0.23 -5.03 105.19 111.96 2ncm n GLY 42 Ca 0.00 -0.14 -0.11 0.00 0.00 0.00 0.00 46.02 45.78 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 -5.58 0.31 -0.10 1.61 8.01 -1.11 -4.99 118.70 116.85 2ncm s GLU 43 Ca 0.29 -0.35 -0.30 0.00 0.01 0.00 0.00 54.97 54.63 2ncm s GLU 43 Cb -0.13 0.12 -0.01 0.00 -4.31 0.00 0.00 34.13 29.80 2ncm s GLU 43 CO 0.36 -0.06 1.03 0.21 0.01 0.00 0.00 175.26 176.81 2ncm s LYS 44 N -1.04 4.41 -0.04 1.61 2.20 -1.26 -0.22 119.74 125.40 2ncm s LYS 44 Ca -0.11 1.42 -0.23 0.00 -0.36 0.00 0.00 55.97 56.69 2ncm s LYS 44 Cb -0.07 -3.55 -0.04 0.00 -1.51 0.00 0.00 37.83 32.66 2ncm s LYS 44 CO 0.00 -0.34 0.69 -0.48 -0.36 0.00 0.00 175.35 174.86 2ncm s LEU 45 N 2.07 4.36 0.96 5.43 0.05 -0.76 -4.91 118.68 125.86 2ncm s LEU 45 Ca 0.49 1.22 -0.11 0.00 0.05 0.00 0.00 54.13 55.78 2ncm s LEU 45 Cb -0.19 -3.07 0.17 0.00 -2.05 0.00 0.00 46.19 41.05 2ncm s LEU 45 CO 0.18 -0.05 1.10 -0.44 -0.55 0.00 0.00 176.35 176.59 2ncm s SER 46 N 0.47 2.72 0.01 1.48 0.01 -1.26 -4.81 113.70 112.33 2ncm s SER 46 Ca 0.36 1.84 -0.25 0.00 1.31 0.00 0.00 55.95 59.21 2ncm s SER 46 Cb -0.18 -2.42 -0.14 0.00 0.21 0.00 0.00 66.02 63.49 2ncm s SER 46 CO 0.19 -3.17 1.06 -0.65 0.41 0.00 0.00 173.24 171.08 2ncm h PRO 47 N -1.91 -0.88 -2.31 12.44 0.11 -1.92 -3.37 132.00 134.17 2ncm h PRO 47 Ca -0.49 0.06 -0.65 0.00 0.11 0.00 0.00 66.00 65.03 2ncm h PRO 47 Cb 1.28 0.20 -0.38 0.00 0.11 0.00 0.00 31.00 32.21 2ncm h PRO 47 CO 0.47 -0.58 -0.18 0.27 -0.21 0.00 0.00 178.00 177.77 2ncm n ASN 48 N -5.30 5.10 -0.06 -2.05 0.23 -1.26 -2.72 115.26 109.21 2ncm n ASN 48 Ca -0.11 -3.62 -0.05 0.00 -0.53 0.00 0.00 54.58 50.26 2ncm n ASN 48 Cb 0.36 -0.76 -0.02 0.00 -2.08 0.00 0.00 39.78 37.28 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 0.11 0.38 0.00 -3.83 10.64 -1.26 -5.10 117.38 118.32 2ncm n GLN 49 Ca 0.34 0.36 0.00 0.00 -1.83 0.00 0.00 57.00 55.86 2ncm n GLN 49 Cb 0.36 -1.40 0.00 0.00 -0.86 0.00 0.00 30.24 28.35 2ncm n GLN 49 CO 0.00 0.00 0.00 1.04 -1.83 0.00 0.00 177.06 176.27 2ncm n GLN 50 N -4.09 0.19 0.09 2.61 1.13 -1.26 -5.01 117.38 111.06 2ncm n GLN 50 Ca -0.08 0.00 0.19 0.00 -1.94 0.00 0.00 57.00 55.18 2ncm n GLN 50 Cb 0.28 0.00 0.63 0.00 0.11 0.00 0.00 30.24 31.26 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 -5.85 -1.09 3.08 -1.98 -3.36 114.38 105.18 2ncm h ARG 51 Ca 0.00 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.44 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 0.59 0.42 -1.07 0.00 0.00 179.97 179.91 2ncm s ILE 52 N -4.41 4.36 -0.22 2.04 1.01 -1.26 -2.11 121.20 120.61 2ncm s ILE 52 Ca -0.03 0.23 -0.05 0.00 0.00 0.00 0.00 60.65 60.80 2ncm s ILE 52 Cb 0.12 -4.57 -0.02 0.00 0.01 0.00 0.00 42.46 38.00 2ncm s ILE 52 CO 0.42 -1.17 0.00 -0.55 0.00 0.00 0.00 174.94 173.64 2ncm s SER 53 N 2.96 4.73 0.29 3.58 0.15 0.14 -4.42 113.70 121.12 2ncm s SER 53 Ca 0.30 -0.26 0.00 0.00 0.70 0.00 0.00 55.95 56.69 2ncm s SER 53 Cb -0.13 -1.82 -0.04 0.00 -1.71 0.00 0.00 66.02 62.33 2ncm s SER 53 CO 0.18 0.02 0.48 -0.69 1.20 0.00 0.00 173.24 174.42 2ncm s VAL 54 N 1.29 5.15 0.26 4.45 1.01 -1.10 -1.63 120.40 129.83 2ncm s VAL 54 Ca 0.04 -0.48 -0.10 0.00 0.00 0.00 0.00 61.98 61.44 2ncm s VAL 54 Cb -0.15 -3.82 -0.00 0.00 0.00 0.00 0.00 36.38 32.41 2ncm s VAL 54 CO 0.01 -0.40 0.46 0.68 0.00 0.00 0.00 175.10 175.84 2ncm s VAL 55 N -2.12 0.00 -0.04 2.92 -7.23 -0.75 -4.89 120.40 108.28 2ncm s VAL 55 Ca 0.39 -1.48 -0.02 0.00 -1.81 0.00 0.00 61.98 59.06 2ncm s VAL 55 Cb -0.10 -2.33 0.03 0.00 0.56 0.00 0.00 36.38 34.54 2ncm s VAL 55 CO 0.32 0.00 0.05 0.26 -0.31 0.00 0.00 175.10 175.43 2ncm s TRP 56 N -3.81 0.12 0.00 2.82 0.51 -1.26 -1.89 118.94 115.43 2ncm s TRP 56 Ca 0.25 0.22 0.00 0.00 -2.12 0.00 0.00 56.10 54.45 2ncm s TRP 56 Cb -0.00 -0.51 0.00 0.00 -0.81 0.00 0.00 33.47 32.15 2ncm s TRP 56 CO 0.11 -0.20 0.00 0.27 -0.51 0.00 0.00 176.95 176.62 2ncm n ASN 57 N 5.28 0.00 -3.27 2.95 0.23 -0.82 -5.00 115.26 114.63 2ncm n ASN 57 Ca -0.04 0.00 -0.21 0.00 -0.53 0.00 0.00 54.58 53.80 2ncm n ASN 57 Cb 0.50 0.00 0.21 0.00 -2.08 0.00 0.00 39.78 38.41 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 -1.03 -3.49 -0.20 0.53 8.00 -1.22 -4.83 116.55 114.32 2ncm n ASP 58 Ca 0.00 -0.61 0.18 0.00 0.71 0.00 0.00 54.79 55.07 2ncm n ASP 58 Cb 0.00 -0.77 0.53 0.00 -0.02 0.00 0.00 41.12 40.85 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 -3.14 0.36 0.00 -2.24 5.19 -2.03 -3.33 116.42 111.24 2ncm h ASP 59 Ca -0.28 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.16 2ncm h ASP 59 Cb 0.93 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.40 2ncm h ASP 59 CO 0.17 0.16 0.00 0.47 -3.12 0.00 0.00 179.24 176.92 2ncm n ASP 60 N -4.48 0.00 -4.79 6.45 8.00 -1.26 -5.11 116.55 115.36 2ncm n ASP 60 Ca 0.17 0.00 -0.35 0.00 0.71 0.00 0.00 54.79 55.32 2ncm n ASP 60 Cb 0.64 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.70 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 0.00 6.78 0.01 -2.24 1.04 -1.25 -4.81 113.70 113.23 2ncm s SER 61 Ca 0.00 1.91 0.00 0.00 0.48 0.00 0.00 55.95 58.34 2ncm s SER 61 Cb 0.00 -2.57 -0.00 0.00 0.10 0.00 0.00 66.02 63.55 2ncm s SER 61 CO 0.00 -0.47 0.00 -1.20 0.98 0.00 0.00 173.24 172.55 2ncm n SER 62 N -0.31 0.52 -3.70 7.02 7.64 -0.83 -1.94 113.62 122.03 2ncm n SER 62 Ca 0.06 -1.04 -0.13 0.00 1.01 0.00 0.00 58.87 58.77 2ncm n SER 62 Cb 0.51 0.02 -0.09 0.00 -1.01 0.00 0.00 64.21 63.65 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 -1.77 -0.00 -0.59 0.44 2.01 -0.79 -1.75 115.64 113.19 2ncm s THR 63 Ca 0.01 0.01 -0.07 0.00 0.31 0.00 0.00 61.69 61.94 2ncm s THR 63 Cb 0.00 -0.72 0.15 0.00 0.01 0.00 0.00 72.50 71.95 2ncm s THR 63 CO 0.00 0.00 0.45 -0.22 -0.69 0.00 0.00 174.62 174.17 2ncm s LEU 64 N 0.45 5.70 0.07 4.42 0.20 -0.76 -1.81 118.68 126.96 2ncm s LEU 64 Ca -0.01 -2.41 -0.19 0.00 0.69 0.00 0.00 54.13 52.20 2ncm s LEU 64 Cb -0.04 -1.98 -0.07 0.00 -0.43 0.00 0.00 46.19 43.67 2ncm s LEU 64 CO -0.02 -0.54 0.56 -0.89 -0.29 0.00 0.00 176.35 175.17 2ncm s THR 65 N 0.60 4.76 -0.37 3.68 2.01 -0.65 -1.93 115.64 123.74 2ncm s THR 65 Ca 0.12 1.19 0.00 0.00 0.31 0.00 0.00 61.69 63.31 2ncm s THR 65 Cb -0.21 -3.88 0.13 0.00 0.01 0.00 0.00 72.50 68.55 2ncm s THR 65 CO -0.04 0.55 0.21 -0.63 -0.69 0.00 0.00 174.62 174.02 2ncm s ILE 66 N -1.12 0.54 0.00 1.82 1.01 -0.44 -0.68 121.20 122.33 2ncm s ILE 66 Ca 0.29 -1.89 -0.00 0.00 0.00 0.00 0.00 60.65 59.05 2ncm s ILE 66 Cb -0.19 -1.40 -0.00 0.00 0.01 0.00 0.00 42.46 40.88 2ncm s ILE 66 CO 0.19 -0.93 1.00 1.88 0.00 0.00 0.00 174.94 177.08 2ncm h TYR 67 N 7.07 -0.01 0.28 3.97 0.05 -1.72 -1.68 116.97 124.93 2ncm h TYR 67 Ca 0.01 -0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.78 2ncm h TYR 67 Cb 0.96 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.70 2ncm h TYR 67 CO 0.44 -0.01 -0.19 -0.97 -1.05 0.00 0.00 178.16 176.38 2ncm h ASN 68 N -0.01 -0.50 -3.47 3.88 -1.24 -1.83 -1.78 115.58 110.63 2ncm h ASN 68 Ca -0.00 0.03 0.00 0.00 0.71 0.00 0.00 56.30 57.04 2ncm h ASN 68 Cb 0.01 0.15 0.00 0.00 0.73 0.00 0.00 38.32 39.21 2ncm h ASN 68 CO 0.00 -0.28 -0.31 0.00 -1.29 0.00 0.00 177.43 175.54 2ncm n ALA 69 N -2.38 -2.69 -2.29 1.57 0.00 -1.26 -1.81 120.51 111.65 2ncm n ALA 69 Ca -0.05 0.16 -0.09 0.00 0.00 0.00 0.00 53.44 53.45 2ncm n ALA 69 Cb 0.19 -0.80 -0.09 0.00 0.00 0.00 0.00 19.45 18.75 2ncm n ALA 69 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2ncm s ASN 70 N -0.17 0.28 0.58 0.00 0.01 -1.26 -3.13 114.94 111.26 2ncm s ASN 70 Ca 0.00 -1.01 0.29 0.00 -0.71 0.00 0.00 52.86 51.43 2ncm s ASN 70 Cb 0.00 0.30 1.46 0.00 0.41 0.00 0.00 41.25 43.42 2ncm s ASN 70 CO 0.00 -0.72 1.87 0.16 -1.51 0.00 0.00 177.10 176.90 2ncm h ILE 71 N 2.87 0.37 -0.24 0.60 3.07 -1.95 0.73 117.51 122.96 2ncm h ILE 71 Ca -0.34 0.00 -0.10 0.00 1.55 0.00 0.00 64.86 65.97 2ncm h ILE 71 Cb 1.19 0.59 -0.00 0.00 -0.27 0.00 0.00 36.82 38.32 2ncm h ILE 71 CO 0.59 0.00 -0.25 0.44 -1.05 0.00 0.00 178.15 177.87 2ncm h ASP 72 N 0.00 0.63 -0.03 2.16 5.19 -1.96 -3.11 116.42 119.30 2ncm h ASP 72 Ca 0.25 -0.48 -0.07 0.00 -0.62 0.00 0.00 57.03 56.11 2ncm h ASP 72 Cb 1.30 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 40.62 2ncm h ASP 72 CO -0.00 0.98 -0.17 0.44 -3.12 0.00 0.00 179.24 177.37 2ncm h ASP 73 N 0.29 0.36 -1.09 6.45 3.32 -1.27 -3.43 116.42 121.05 2ncm h ASP 73 Ca 0.04 -0.10 -0.66 0.00 0.02 0.00 0.00 57.03 56.33 2ncm h ASP 73 Cb 0.81 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.25 2ncm h ASP 73 CO 0.06 0.56 1.44 0.00 -1.72 0.00 0.00 179.24 179.58 2ncm n ALA 74 N -2.48 1.06 0.00 3.45 0.00 -0.90 -4.83 120.51 116.81 2ncm n ALA 74 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2ncm n ALA 74 Cb 0.33 -2.57 0.00 0.00 0.00 0.00 0.00 19.45 17.21 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 6.52 -0.34 3.54 0.00 0.00 0.17 -4.89 105.19 110.19 2ncm n GLY 75 Ca 0.42 -0.93 -0.41 0.00 0.00 0.00 0.00 46.02 45.09 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 3.77 0.99 -0.61 1.01 -1.26 -1.72 121.20 121.38 2ncm s ILE 76 Ca 0.00 0.33 -0.14 0.00 0.00 0.00 0.00 60.65 60.85 2ncm s ILE 76 Cb 0.00 -4.91 0.18 0.00 0.01 0.00 0.00 42.46 37.75 2ncm s ILE 76 CO 0.00 -1.83 1.13 -0.31 0.00 0.00 0.00 174.94 173.92 2ncm s TYR 77 N 5.61 2.02 0.12 3.97 1.51 -0.66 -3.72 117.35 126.19 2ncm s TYR 77 Ca 0.34 0.82 0.04 0.00 -1.01 0.00 0.00 57.07 57.26 2ncm s TYR 77 Cb -0.08 -3.39 -0.04 0.00 -0.11 0.00 0.00 41.96 38.33 2ncm s TYR 77 CO 0.14 -2.82 -0.10 0.21 -1.11 0.00 0.00 175.55 171.88 2ncm s LYS 78 N -5.21 0.93 -0.28 -0.62 2.20 0.31 -1.97 119.74 115.09 2ncm s LYS 78 Ca 0.66 -1.31 -0.04 0.00 -0.36 0.00 0.00 55.97 54.92 2ncm s LYS 78 Cb -0.15 -0.52 0.10 0.00 -1.51 0.00 0.00 37.83 35.75 2ncm s LYS 78 CO 0.55 0.06 0.13 0.00 -0.36 0.00 0.00 175.35 175.73 2ncm s VAL 80 N 2.09 4.22 -0.08 0.00 1.01 -0.66 -0.77 120.40 126.21 2ncm s VAL 80 Ca 0.08 -0.25 0.03 0.00 0.00 0.00 0.00 61.98 61.84 2ncm s VAL 80 Cb -0.16 -2.84 -0.02 0.00 0.00 0.00 0.00 36.38 33.36 2ncm s VAL 80 CO -0.35 0.52 -0.17 0.54 0.00 0.00 0.00 175.10 175.65 2ncm s VAL 81 N -0.02 2.79 0.06 2.92 0.11 -0.81 0.40 120.40 125.85 2ncm s VAL 81 Ca 0.03 -0.79 0.07 0.00 -2.93 0.00 0.00 61.98 58.36 2ncm s VAL 81 Cb -0.13 -2.11 -0.03 0.00 -1.53 0.00 0.00 36.38 32.58 2ncm s VAL 81 CO 0.02 0.56 -0.16 -0.89 -3.33 0.00 0.00 175.10 171.30 2ncm s THR 82 N -0.16 2.97 0.43 5.04 2.01 -0.82 -1.42 115.64 123.69 2ncm s THR 82 Ca -0.01 -1.20 -0.01 0.00 0.31 0.00 0.00 61.69 60.77 2ncm s THR 82 Cb -0.14 -2.29 0.09 0.00 0.01 0.00 0.00 72.50 70.17 2ncm s THR 82 CO 0.03 0.28 0.59 0.00 -0.69 0.00 0.00 174.62 174.83 2ncm n ALA 83 N 1.32 0.02 -0.03 7.40 0.00 -0.13 -1.90 120.51 127.19 2ncm n ALA 83 Ca -0.16 -1.12 -0.15 0.00 0.00 0.00 0.00 53.44 52.02 2ncm n ALA 83 Cb 0.52 0.16 -0.10 0.00 0.00 0.00 0.00 19.45 20.04 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 0.29 -0.09 0.00 4.81 -1.87 -3.31 114.58 114.41 2ncm h GLU 84 Ca -0.20 -0.25 -0.19 0.00 -0.13 0.00 0.00 59.36 58.60 2ncm h GLU 84 Cb 0.70 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.13 2ncm h GLU 84 CO 0.20 0.90 -0.73 0.38 -0.73 0.00 0.00 179.01 179.03 2ncm h ASP 85 N -0.24 0.52 0.00 1.04 2.03 -1.96 -3.48 116.42 114.34 2ncm h ASP 85 Ca -0.02 -0.34 0.00 0.00 -0.73 0.00 0.00 57.03 55.94 2ncm h ASP 85 Cb 0.96 -0.15 0.00 0.00 -0.83 0.00 0.00 39.33 39.31 2ncm h ASP 85 CO 0.06 1.08 0.00 0.61 -1.03 0.00 0.00 179.24 179.97 2ncm n GLY 86 N 0.56 0.60 3.53 7.15 0.00 -1.25 -5.11 105.19 110.68 2ncm n GLY 86 Ca -0.05 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.52 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 0.23 -5.09 2.61 -1.04 -1.26 -4.48 114.28 105.25 2ncm n THR 87 Ca 0.00 -0.41 -0.32 0.00 -2.04 0.00 0.00 64.05 61.27 2ncm n THR 87 Cb 0.00 -2.20 -0.16 0.00 -1.82 0.00 0.00 70.33 66.15 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 6.59 2.83 -0.12 -2.82 -2.07 -1.26 -0.95 119.66 121.85 2ncm s GLN 88 Ca 1.05 -0.82 0.03 0.00 -1.82 0.00 0.00 55.36 53.80 2ncm s GLN 88 Cb -0.53 -2.33 0.01 0.00 -1.09 0.00 0.00 33.01 29.07 2ncm s GLN 88 CO 0.40 0.34 -0.22 0.45 -1.32 0.00 0.00 175.29 174.94 2ncm s SER 89 N -0.04 2.97 0.44 12.60 0.15 -0.51 -4.95 113.70 124.37 2ncm s SER 89 Ca -0.06 -0.56 0.03 0.00 0.70 0.00 0.00 55.95 56.07 2ncm s SER 89 Cb -0.15 -1.37 0.03 0.00 -1.71 0.00 0.00 66.02 62.83 2ncm s SER 89 CO 0.05 0.10 0.28 -1.84 1.20 0.00 0.00 173.24 173.03 2ncm n GLU 90 N 3.86 0.85 -4.02 5.44 0.28 -1.26 -1.93 120.64 123.86 2ncm n GLU 90 Ca -0.20 -2.85 -0.13 0.00 -0.16 0.00 0.00 57.16 53.83 2ncm n GLU 90 Cb 0.52 0.39 -0.03 0.00 1.43 0.00 0.00 31.44 33.74 2ncm n GLU 90 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2ncm s ALA 91 N -2.66 0.34 0.08 -1.84 0.00 0.05 -4.80 121.76 112.94 2ncm s ALA 91 Ca 0.21 -1.28 -0.11 0.00 0.00 0.00 0.00 51.96 50.78 2ncm s ALA 91 Cb -0.02 1.06 0.01 0.00 0.00 0.00 0.00 23.12 24.17 2ncm s ALA 91 CO 0.14 -0.84 0.25 0.95 0.00 0.00 0.00 175.76 176.26 2ncm s THR 92 N -3.08 0.11 -0.14 0.00 -4.23 -1.26 -1.96 115.64 105.08 2ncm s THR 92 Ca 0.27 -0.93 -0.04 0.00 -1.18 0.00 0.00 61.69 59.81 2ncm s THR 92 Cb -0.01 -1.18 0.07 0.00 1.34 0.00 0.00 72.50 72.72 2ncm s THR 92 CO 0.17 -0.51 0.16 0.54 -0.54 0.00 0.00 174.62 174.44 2ncm s VAL 93 N -3.44 -0.24 -0.88 2.29 0.11 -0.83 -4.58 120.40 112.82 2ncm s VAL 93 Ca 0.01 0.08 -0.25 0.00 -2.93 0.00 0.00 61.98 58.90 2ncm s VAL 93 Cb 0.02 -0.48 -0.03 0.00 -1.53 0.00 0.00 36.38 34.36 2ncm s VAL 93 CO -0.09 -0.07 1.86 0.21 -3.33 0.00 0.00 175.10 173.68 2ncm s ASN 94 N 2.27 5.36 -0.13 3.54 2.47 -0.49 -1.65 114.94 126.30 2ncm s ASN 94 Ca 0.04 -0.65 -0.18 0.00 0.42 0.00 0.00 52.86 52.50 2ncm s ASN 94 Cb -0.14 -2.56 -0.04 0.00 -1.45 0.00 0.00 41.25 37.06 2ncm s ASN 94 CO -0.09 -2.52 0.46 -0.69 -3.72 0.00 0.00 177.10 170.55 2ncm s VAL 95 N 9.19 5.20 0.25 -5.21 1.01 -0.70 -1.58 120.40 128.55 2ncm s VAL 95 Ca 0.66 0.90 0.10 0.00 0.00 0.00 0.00 61.98 63.64 2ncm s VAL 95 Cb -0.07 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 2ncm s VAL 95 CO 0.01 0.32 -0.10 -0.75 0.00 0.00 0.00 175.10 174.58 2ncm s LYS 96 N 0.72 2.02 -0.13 2.72 2.20 -0.83 0.42 119.74 126.86 2ncm s LYS 96 Ca 0.25 -1.49 -0.09 0.00 -0.36 0.00 0.00 55.97 54.27 2ncm s LYS 96 Cb -0.15 -2.03 0.04 0.00 -1.51 0.00 0.00 37.83 34.18 2ncm s LYS 96 CO 0.09 0.37 0.33 0.42 -0.36 0.00 0.00 175.35 176.20 2ncm s ILE 97 N -2.20 -0.01 -0.02 5.43 1.01 -1.26 -1.73 121.20 122.41 2ncm s ILE 97 Ca 0.29 0.05 0.02 0.00 0.00 0.00 0.00 60.65 61.01 2ncm s ILE 97 Cb -0.07 -0.47 0.01 0.00 0.01 0.00 0.00 42.46 41.94 2ncm s ILE 97 CO 0.17 0.02 -0.08 0.72 0.00 0.00 0.00 174.94 175.77 2ncm s PHE 98 N 0.70 0.83 -2.39 3.97 -0.71 -0.84 -4.63 117.98 114.91 2ncm s PHE 98 Ca -0.04 -0.20 0.29 0.00 -1.04 0.00 0.00 56.93 55.93 2ncm s PHE 98 Cb -0.05 -0.61 1.24 0.00 -1.21 0.00 0.00 43.02 42.39 2ncm s PHE 98 CO -0.05 -0.10 1.85 0.00 -1.34 0.00 0.00 175.22 175.59