#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ncm s VAL 2 N 0.00 -0.15 -0.19 -3.48 1.01 -1.17 0.36 120.40 116.77 3ncm s VAL 2 Ca 0.00 -0.34 0.01 0.00 0.00 0.00 0.00 61.98 61.65 3ncm s VAL 2 Cb 0.00 -0.73 0.03 0.00 0.00 0.00 0.00 36.38 35.68 3ncm s VAL 2 CO 0.00 -0.40 -0.16 -0.04 0.00 0.00 0.00 175.10 174.50 3ncm s MET 3 N 2.18 2.62 -0.29 2.72 -1.94 -0.73 -4.88 119.30 118.98 3ncm s MET 3 Ca 0.05 -0.90 -0.29 0.00 -1.71 0.00 0.00 55.69 52.85 3ncm s MET 3 Cb -0.16 -2.55 -0.00 0.00 2.01 0.00 0.00 34.83 34.13 3ncm s MET 3 CO -0.19 -0.31 1.39 -0.06 -0.01 0.00 0.00 175.02 175.83 3ncm s PHE 4 N 1.29 2.52 0.23 -0.03 0.40 -1.26 0.54 117.98 121.67 3ncm s PHE 4 Ca 0.01 0.77 0.07 0.00 -0.60 0.00 0.00 56.93 57.18 3ncm s PHE 4 Cb -0.15 -3.97 -0.05 0.00 0.51 0.00 0.00 43.02 39.36 3ncm s PHE 4 CO -0.10 -2.02 -0.09 -1.59 0.70 0.00 0.00 175.22 172.11 3ncm s LYS 5 N 4.37 1.39 -0.26 0.44 -2.85 0.18 -4.95 119.74 118.06 3ncm s LYS 5 Ca 0.60 -1.66 -0.23 0.00 -1.00 0.00 0.00 55.97 53.69 3ncm s LYS 5 Cb -0.18 -1.03 0.03 0.00 -2.06 0.00 0.00 37.83 34.59 3ncm s LYS 5 CO 0.26 0.09 0.38 -1.71 0.10 0.00 0.00 175.35 174.47 3ncm n ASN 6 N -0.44 -3.32 -3.43 0.03 5.15 -1.26 -1.09 115.26 110.90 3ncm n ASN 6 Ca -0.07 -0.08 -0.27 0.00 -0.60 0.00 0.00 54.58 53.56 3ncm n ASN 6 Cb 0.62 -0.95 -0.10 0.00 -0.53 0.00 0.00 39.78 38.81 3ncm n ASN 6 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3ncm n ALA 7 N -0.05 2.90 -1.83 5.20 0.00 -1.26 -1.61 120.51 123.87 3ncm n ALA 7 Ca -0.05 -3.22 -0.32 0.00 0.00 0.00 0.00 53.44 49.85 3ncm n ALA 7 Cb 0.41 -0.77 -0.04 0.00 0.00 0.00 0.00 19.45 19.05 3ncm n ALA 7 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3ncm s PRO 8 N -0.07 2.30 0.00 0.00 0.05 -1.26 -4.90 135.00 131.13 3ncm s PRO 8 Ca 0.32 0.69 0.00 0.00 0.05 0.00 0.00 61.00 62.06 3ncm s PRO 8 Cb 0.03 -4.62 0.00 0.00 0.05 0.00 0.00 34.50 29.96 3ncm s PRO 8 CO -0.20 -3.26 0.89 0.25 0.05 0.00 0.00 177.00 174.73 3ncm n THR 9 N 7.79 0.00 -2.13 1.26 -2.24 -1.26 -4.02 114.28 113.69 3ncm n THR 9 Ca 0.33 1.39 -0.36 0.00 -2.27 0.00 0.00 64.05 63.13 3ncm n THR 9 Cb 0.51 -2.17 -0.03 0.00 -2.10 0.00 0.00 70.33 66.54 3ncm n THR 9 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3ncm s PRO 10 N -2.54 2.72 0.56 -0.78 0.05 -1.25 -0.33 135.00 133.44 3ncm s PRO 10 Ca 0.00 0.21 0.09 0.00 0.05 0.00 0.00 61.00 61.35 3ncm s PRO 10 Cb 0.00 -4.57 0.08 0.00 0.05 0.00 0.00 34.50 30.05 3ncm s PRO 10 CO 0.00 -2.80 0.72 1.14 0.05 0.00 0.00 177.00 176.11 3ncm s GLN 11 N 6.78 2.32 -0.24 4.56 -2.07 0.20 -4.95 119.66 126.27 3ncm s GLN 11 Ca 0.63 -1.68 -0.12 0.00 -1.82 0.00 0.00 55.36 52.37 3ncm s GLN 11 Cb -0.10 -2.57 0.08 0.00 -1.09 0.00 0.00 33.01 29.33 3ncm s GLN 11 CO 0.13 -0.79 0.56 -2.00 -1.32 0.00 0.00 175.29 171.87 3ncm s GLU 12 N -4.59 0.54 0.00 9.60 2.12 -1.26 -1.56 118.70 123.55 3ncm s GLU 12 Ca 0.57 1.09 0.00 0.00 0.36 0.00 0.00 54.97 56.99 3ncm s GLU 12 Cb -0.05 0.20 0.00 0.00 0.26 0.00 0.00 34.13 34.54 3ncm s GLU 12 CO 0.36 -0.17 0.00 1.19 -0.54 0.00 0.00 175.26 176.10 3ncm n PHE 13 N 4.58 0.00 -4.61 5.30 3.72 0.15 -4.94 117.46 121.66 3ncm n PHE 13 Ca -0.19 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 56.91 3ncm n PHE 13 Cb 0.55 0.00 -0.12 0.00 -0.94 0.00 0.00 39.48 38.97 3ncm n PHE 13 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 3ncm s LYS 14 N -1.76 2.11 0.04 -1.08 2.20 -1.26 -4.31 119.74 115.68 3ncm s LYS 14 Ca 0.00 -0.96 -0.30 0.00 -0.36 0.00 0.00 55.97 54.34 3ncm s LYS 14 Cb 0.00 -2.22 -0.08 0.00 -1.51 0.00 0.00 37.83 34.01 3ncm s LYS 14 CO 0.00 0.54 1.87 -2.00 -0.36 0.00 0.00 175.35 175.40 3ncm s GLU 15 N -1.49 4.15 0.00 4.03 -6.30 -1.26 -1.63 118.70 116.19 3ncm s GLU 15 Ca 0.15 2.51 0.00 0.00 -2.50 0.00 0.00 54.97 55.14 3ncm s GLU 15 Cb -0.11 -4.00 0.00 0.00 0.00 0.00 0.00 34.13 30.03 3ncm s GLU 15 CO 0.06 -0.90 0.00 0.41 0.02 0.00 0.00 175.26 174.85 3ncm n GLY 16 N 4.38 0.64 3.64 -1.50 0.00 0.23 -5.00 105.19 107.57 3ncm n GLY 16 Ca 0.19 -0.74 -0.23 0.00 0.00 0.00 0.00 46.02 45.24 3ncm n GLY 16 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ncm s GLU 17 N -1.91 2.29 -0.78 1.61 2.12 0.11 -4.66 118.70 117.49 3ncm s GLU 17 Ca 0.00 -1.41 -0.25 0.00 0.36 0.00 0.00 54.97 53.67 3ncm s GLU 17 Cb 0.00 -2.17 0.05 0.00 0.26 0.00 0.00 34.13 32.27 3ncm s GLU 17 CO 0.00 0.37 1.23 -0.51 -0.54 0.00 0.00 175.26 175.81 3ncm s ASP 18 N -3.65 6.25 0.32 -1.70 1.11 -1.26 0.02 116.67 117.76 3ncm s ASP 18 Ca 0.31 -0.84 0.07 0.00 0.18 0.00 0.00 52.55 52.27 3ncm s ASP 18 Cb -0.06 -2.52 -0.02 0.00 1.07 0.00 0.00 42.92 41.38 3ncm s ASP 18 CO 0.20 -1.65 0.35 0.00 1.18 0.00 0.00 175.17 175.25 3ncm s ALA 19 N 5.05 3.97 0.00 5.23 0.00 -0.61 -4.90 121.76 130.51 3ncm s ALA 19 Ca 0.34 -1.52 0.00 0.00 0.00 0.00 0.00 51.96 50.78 3ncm s ALA 19 Cb -0.08 -1.41 -0.00 0.00 0.00 0.00 0.00 23.12 21.62 3ncm s ALA 19 CO 0.08 0.04 -0.01 0.08 0.00 0.00 0.00 175.76 175.94 3ncm s VAL 20 N -2.21 0.09 -0.34 0.00 1.01 -1.26 0.39 120.40 118.08 3ncm s VAL 20 Ca 0.41 -0.20 -0.15 0.00 0.00 0.00 0.00 61.98 62.04 3ncm s VAL 20 Cb -0.08 -0.11 -0.01 0.00 0.00 0.00 0.00 36.38 36.18 3ncm s VAL 20 CO 0.28 -0.07 0.35 -0.63 0.00 0.00 0.00 175.10 175.03 3ncm s ILE 21 N -0.28 5.18 -0.16 2.22 1.01 -0.11 -4.85 121.20 124.20 3ncm s ILE 21 Ca -0.02 0.02 -0.29 0.00 0.00 0.00 0.00 60.65 60.35 3ncm s ILE 21 Cb -0.02 -3.81 -0.01 0.00 0.01 0.00 0.00 42.46 38.62 3ncm s ILE 21 CO -0.00 -0.09 1.20 -0.69 0.00 0.00 0.00 174.94 175.37 3ncm s VAL 22 N 1.99 4.37 -0.35 2.92 1.01 -1.26 -2.30 120.40 126.78 3ncm s VAL 22 Ca 0.11 1.66 0.05 0.00 0.00 0.00 0.00 61.98 63.80 3ncm s VAL 22 Cb -0.17 -4.07 0.19 0.00 0.00 0.00 0.00 36.38 32.33 3ncm s VAL 22 CO 0.12 -0.12 0.66 0.00 0.00 0.00 0.00 175.10 175.75 3ncm s ASP 24 N 2.34 6.80 -0.16 0.00 1.01 -0.25 -4.41 116.67 122.00 3ncm s ASP 24 Ca 0.14 0.97 -0.06 0.00 0.71 0.00 0.00 52.55 54.30 3ncm s ASP 24 Cb -0.06 -2.25 0.07 0.00 1.01 0.00 0.00 42.92 41.69 3ncm s ASP 24 CO -0.16 0.27 0.34 -0.69 0.21 0.00 0.00 175.17 175.14 3ncm s VAL 25 N -1.18 -0.36 -1.27 -1.27 1.01 -1.26 0.50 120.40 116.57 3ncm s VAL 25 Ca 0.27 0.19 -0.17 0.00 0.00 0.00 0.00 61.98 62.26 3ncm s VAL 25 Cb -0.16 -0.54 0.09 0.00 0.00 0.00 0.00 36.38 35.76 3ncm s VAL 25 CO 0.15 0.08 1.67 -0.69 0.00 0.00 0.00 175.10 176.32 3ncm s VAL 26 N 2.11 4.27 0.37 2.92 1.01 0.19 -4.81 120.40 126.46 3ncm s VAL 26 Ca -0.03 -2.00 -0.10 0.00 0.00 0.00 0.00 61.98 59.85 3ncm s VAL 26 Cb -0.11 -5.14 -0.06 0.00 0.00 0.00 0.00 36.38 31.06 3ncm s VAL 26 CO -0.11 -1.95 0.71 -0.44 0.00 0.00 0.00 175.10 173.31 3ncm s SER 27 N 4.01 6.53 0.00 3.32 0.01 -1.25 -1.78 113.70 124.55 3ncm s SER 27 Ca 0.52 1.05 0.00 0.00 1.31 0.00 0.00 55.95 58.83 3ncm s SER 27 Cb 0.03 -2.29 0.00 0.00 0.21 0.00 0.00 66.02 63.97 3ncm s SER 27 CO 0.06 -0.32 0.34 -0.24 0.41 0.00 0.00 173.24 173.49 3ncm n SER 28 N -1.09 0.00 0.12 2.44 2.88 0.16 -4.75 113.62 113.38 3ncm n SER 28 Ca 0.02 0.34 0.00 0.00 -1.33 0.00 0.00 58.87 57.90 3ncm n SER 28 Cb 0.54 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.00 3ncm n SER 28 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3ncm n LEU 29 N -0.62 -2.16 0.23 2.46 4.77 -1.26 -4.86 117.00 115.57 3ncm n LEU 29 Ca 0.00 0.66 -0.15 0.00 -0.03 0.00 0.00 56.01 56.48 3ncm n LEU 29 Cb 0.00 2.22 -0.08 0.00 -2.33 0.00 0.00 43.42 43.23 3ncm n LEU 29 CO 0.00 0.13 0.72 1.55 -1.33 0.00 0.00 177.39 178.46 3ncm h PRO 30 N 0.00 -0.52 0.00 3.23 0.14 -2.00 -3.44 132.00 129.41 3ncm h PRO 30 Ca 0.00 0.04 0.00 0.00 0.14 0.00 0.00 66.00 66.18 3ncm h PRO 30 Cb 0.00 0.12 0.00 0.00 0.14 0.00 0.00 31.00 31.26 3ncm h PRO 30 CO 0.00 -0.33 0.00 -0.35 0.14 0.00 0.00 178.00 177.46 3ncm n PRO 31 N -5.31 -0.80 -1.02 1.56 -0.05 -1.26 -5.09 135.00 123.02 3ncm n PRO 31 Ca -0.11 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.34 3ncm n PRO 31 Cb 0.24 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 33.69 3ncm n PRO 31 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 175.50 177.86 3ncm n THR 32 N -2.18 0.00 -4.13 0.52 -1.04 -0.95 -4.96 114.28 101.53 3ncm n THR 32 Ca 0.00 0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 61.66 3ncm n THR 32 Cb 0.00 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 68.42 3ncm n THR 32 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 3ncm s ILE 33 N -2.45 4.77 -0.24 12.58 2.07 -1.26 -0.20 121.20 136.47 3ncm s ILE 33 Ca 0.00 -0.06 -0.10 0.00 -1.41 0.00 0.00 60.65 59.08 3ncm s ILE 33 Cb 0.00 -3.07 -0.05 0.00 0.13 0.00 0.00 42.46 39.47 3ncm s ILE 33 CO 0.00 0.56 0.14 -0.63 -1.91 0.00 0.00 174.94 173.11 3ncm s ILE 34 N -0.52 5.16 -0.47 2.00 1.09 0.59 -4.83 121.20 124.22 3ncm s ILE 34 Ca 0.10 0.11 -0.26 0.00 -1.10 0.00 0.00 60.65 59.51 3ncm s ILE 34 Cb -0.12 -3.41 0.03 0.00 -1.06 0.00 0.00 42.46 37.90 3ncm s ILE 34 CO 0.02 0.35 0.95 0.26 -0.10 0.00 0.00 174.94 176.42 3ncm s TRP 35 N 1.13 2.90 0.28 3.97 0.52 -1.26 -1.34 118.94 125.13 3ncm s TRP 35 Ca 0.07 0.39 0.03 0.00 0.02 0.00 0.00 56.10 56.60 3ncm s TRP 35 Cb -0.14 -4.03 0.03 0.00 -1.15 0.00 0.00 33.47 28.18 3ncm s TRP 35 CO 0.05 -1.14 0.22 1.17 0.02 0.00 0.00 176.95 177.27 3ncm n LYS 36 N 7.27 1.06 -1.08 4.98 4.81 -0.42 -0.74 118.16 134.04 3ncm n LYS 36 Ca 0.06 -1.70 0.04 0.00 -0.87 0.00 0.00 58.31 55.84 3ncm n LYS 36 Cb 0.48 0.15 -0.02 0.00 0.02 0.00 0.00 35.03 35.67 3ncm n LYS 36 CO 0.00 0.00 0.00 1.58 1.17 0.00 0.00 177.40 180.15 3ncm n HIS 37 N -1.20 -2.93 -3.51 5.64 -0.00 -1.26 -1.84 115.22 110.12 3ncm n HIS 37 Ca -0.00 1.60 -0.18 0.00 0.46 0.00 0.00 57.72 59.59 3ncm n HIS 37 Cb 0.31 -2.63 0.07 0.00 -0.12 0.00 0.00 29.99 27.62 3ncm n HIS 37 CO 0.00 0.00 0.00 1.17 0.46 0.00 0.00 176.34 177.97 3ncm n LYS 38 N -2.70 -5.77 0.00 1.57 3.00 -1.26 -4.15 118.16 108.84 3ncm n LYS 38 Ca -0.02 0.77 0.00 0.00 -0.00 0.00 0.00 58.31 59.06 3ncm n LYS 38 Cb 0.38 -5.63 0.00 0.00 0.00 0.00 0.00 35.03 29.79 3ncm n LYS 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3ncm n GLY 39 N -1.28 -0.06 2.85 3.14 0.00 -1.26 -4.95 105.19 103.63 3ncm n GLY 39 Ca -0.28 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.74 3ncm n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ncm n ARG 40 N 0.00 -2.67 -2.73 1.61 3.00 -1.26 -4.63 116.66 109.98 3ncm n ARG 40 Ca 0.00 2.27 -0.04 0.00 -0.01 0.00 0.00 57.85 60.08 3ncm n ARG 40 Cb 0.00 -4.26 -0.03 0.00 0.00 0.00 0.00 32.46 28.16 3ncm n ARG 40 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 3ncm n ASP 41 N 0.84 -3.01 0.24 0.55 -0.08 -1.25 -4.81 116.55 109.04 3ncm n ASP 41 Ca 0.00 1.26 0.11 0.00 -1.51 0.00 0.00 54.79 54.65 3ncm n ASP 41 Cb 0.14 -4.51 0.59 0.00 2.34 0.00 0.00 41.12 39.68 3ncm n ASP 41 CO 0.00 0.00 0.00 -0.37 0.12 0.00 0.00 177.20 176.95 3ncm h VAL 42 N 4.11 0.58 0.00 5.18 -1.51 -1.20 -2.95 116.25 120.46 3ncm h VAL 42 Ca -0.37 -0.84 0.00 0.00 -1.23 0.00 0.00 66.70 64.27 3ncm h VAL 42 Cb 0.87 1.55 0.00 0.00 -2.13 0.00 0.00 31.29 31.58 3ncm h VAL 42 CO 0.02 0.18 0.03 0.40 -1.23 0.00 0.00 177.57 176.97 3ncm h ILE 43 N 0.00 0.00 0.00 7.19 1.08 -1.89 0.18 117.51 124.06 3ncm h ILE 43 Ca -0.00 0.00 -0.09 0.00 -0.39 0.00 0.00 64.86 64.38 3ncm h ILE 43 Cb 0.54 0.77 -0.01 0.00 -3.07 0.00 0.00 36.82 35.04 3ncm h ILE 43 CO 0.02 0.00 -1.32 0.18 -0.69 0.00 0.00 178.15 176.34 3ncm n LEU 44 N -2.74 0.75 -0.11 1.44 4.32 -1.11 -4.37 117.00 115.17 3ncm n LEU 44 Ca -0.02 0.31 -0.19 0.00 -0.02 0.00 0.00 56.01 56.09 3ncm n LEU 44 Cb 0.09 0.02 -0.12 0.00 -1.62 0.00 0.00 43.42 41.79 3ncm n LEU 44 CO 0.15 -0.00 -1.28 2.29 -1.22 0.00 0.00 177.39 177.33 3ncm n LYS 45 N -2.73 0.66 -3.87 3.23 2.85 -0.59 -5.02 118.16 112.68 3ncm n LYS 45 Ca -0.06 0.17 -0.32 0.00 -1.05 0.00 0.00 58.31 57.05 3ncm n LYS 45 Cb 0.70 -1.55 0.01 0.00 -0.65 0.00 0.00 35.03 33.54 3ncm n LYS 45 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 3ncm n LYS 46 N -3.33 -1.76 -1.15 -1.58 4.76 0.52 -4.89 118.16 110.72 3ncm n LYS 46 Ca -0.44 0.35 -0.35 0.00 -2.87 0.00 0.00 58.31 55.00 3ncm n LYS 46 Cb 0.99 -3.96 0.08 0.00 -1.84 0.00 0.00 35.03 30.30 3ncm n LYS 46 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 3ncm n ASP 47 N -2.70 -1.38 0.18 4.39 9.92 -1.26 -4.79 116.55 120.91 3ncm n ASP 47 Ca -0.18 0.53 0.18 0.00 -0.53 0.00 0.00 54.79 54.79 3ncm n ASP 47 Cb 0.62 -1.22 0.80 0.00 -0.64 0.00 0.00 41.12 40.69 3ncm n ASP 47 CO 0.00 0.00 0.00 -0.37 0.13 0.00 0.00 177.20 176.96 3ncm h VAL 48 N -0.65 0.31 -0.02 2.53 -1.51 -2.00 -0.52 116.25 114.39 3ncm h VAL 48 Ca -0.45 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.02 3ncm h VAL 48 Cb 1.33 0.72 0.00 0.00 -2.13 0.00 0.00 31.29 31.21 3ncm h VAL 48 CO 0.41 0.00 -0.37 -2.11 -1.23 0.00 0.00 177.57 174.27 3ncm n ARG 49 N -3.55 1.47 -3.27 5.19 0.00 -1.26 -4.86 116.66 110.38 3ncm n ARG 49 Ca 0.03 -1.22 -0.43 0.00 -0.00 0.00 0.00 57.85 56.23 3ncm n ARG 49 Cb 0.47 -1.47 -0.08 0.00 -0.00 0.00 0.00 32.46 31.37 3ncm n ARG 49 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 3ncm s PHE 50 N -2.37 3.14 -0.27 2.89 0.40 -0.21 0.30 117.98 121.87 3ncm s PHE 50 Ca 0.21 -0.36 -0.00 0.00 -0.60 0.00 0.00 56.93 56.18 3ncm s PHE 50 Cb 0.19 -3.04 0.08 0.00 0.51 0.00 0.00 43.02 40.76 3ncm s PHE 50 CO 0.51 -0.77 0.04 0.42 0.70 0.00 0.00 175.22 176.13 3ncm s ILE 51 N 2.28 1.14 0.04 0.64 1.01 -0.60 -4.61 121.20 121.09 3ncm s ILE 51 Ca 0.14 -1.32 -0.30 0.00 0.00 0.00 0.00 60.65 59.17 3ncm s ILE 51 Cb -0.17 -1.71 -0.05 0.00 0.01 0.00 0.00 42.46 40.54 3ncm s ILE 51 CO 0.14 -0.44 1.23 -0.69 0.00 0.00 0.00 174.94 175.18 3ncm s VAL 52 N 1.52 4.00 0.70 2.92 1.01 -1.26 -1.66 120.40 127.63 3ncm s VAL 52 Ca 0.04 1.41 -0.10 0.00 0.00 0.00 0.00 61.98 63.34 3ncm s VAL 52 Cb -0.18 -3.91 0.03 0.00 0.00 0.00 0.00 36.38 32.33 3ncm s VAL 52 CO -0.15 0.08 1.06 -0.76 0.00 0.00 0.00 175.10 175.32 3ncm s LEU 53 N 1.42 2.89 0.63 3.92 1.43 -0.53 -4.91 118.68 123.54 3ncm s LEU 53 Ca 0.59 0.88 0.39 0.00 -1.03 0.00 0.00 54.13 54.97 3ncm s LEU 53 Cb -0.29 -3.61 2.15 0.00 0.03 0.00 0.00 46.19 44.47 3ncm s LEU 53 CO 0.28 -1.42 2.30 0.77 0.23 0.00 0.00 176.35 178.51 3ncm h SER 54 N -0.62 0.00 -0.32 2.29 4.64 -1.95 -1.53 113.55 116.06 3ncm h SER 54 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3ncm h SER 54 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 3ncm h SER 54 CO 0.63 0.01 0.00 -0.46 -0.87 0.00 0.00 176.83 176.14 3ncm n ASN 55 N -3.30 3.48 -1.81 4.97 6.94 -1.26 -4.90 115.26 119.38 3ncm n ASN 55 Ca -0.03 -2.47 -0.14 0.00 -0.02 0.00 0.00 54.58 51.93 3ncm n ASN 55 Cb 0.10 -0.57 0.01 0.00 -2.36 0.00 0.00 39.78 36.96 3ncm n ASN 55 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 3ncm n ASN 56 N 0.37 -4.33 -4.93 0.53 4.13 -0.57 -4.58 115.26 105.88 3ncm n ASN 56 Ca 0.15 -0.12 -0.20 0.00 1.68 0.00 0.00 54.58 56.10 3ncm n ASN 56 Cb 0.73 -3.32 -0.02 0.00 -1.54 0.00 0.00 39.78 35.64 3ncm n ASN 56 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 3ncm s TYR 57 N -2.83 2.92 -0.37 3.10 1.51 -1.25 -4.47 117.35 115.96 3ncm s TYR 57 Ca 0.12 -0.32 0.04 0.00 -1.01 0.00 0.00 57.07 55.89 3ncm s TYR 57 Cb -0.05 -2.02 0.11 0.00 -0.11 0.00 0.00 41.96 39.88 3ncm s TYR 57 CO 0.15 -0.03 0.09 -1.17 -1.11 0.00 0.00 175.55 173.48 3ncm s LEU 58 N -4.13 4.55 -0.68 -1.29 2.96 -0.97 -1.45 118.68 117.67 3ncm s LEU 58 Ca 0.46 -2.28 -0.27 0.00 -0.22 0.00 0.00 54.13 51.81 3ncm s LEU 58 Cb -0.07 -1.59 0.02 0.00 0.50 0.00 0.00 46.19 45.05 3ncm s LEU 58 CO 0.29 -0.36 1.34 -1.10 -1.32 0.00 0.00 176.35 175.21 3ncm s GLN 59 N 0.73 3.20 -0.54 1.98 -0.21 -0.66 -0.94 119.66 123.21 3ncm s GLN 59 Ca 0.12 0.02 -0.19 0.00 0.02 0.00 0.00 55.36 55.32 3ncm s GLN 59 Cb -0.20 -4.17 0.07 0.00 1.00 0.00 0.00 33.01 29.71 3ncm s GLN 59 CO -0.07 -2.11 0.68 0.42 -2.12 0.00 0.00 175.29 172.08 3ncm s ILE 60 N 6.01 4.81 -0.19 1.08 1.01 0.16 -1.56 121.20 132.53 3ncm s ILE 60 Ca 0.42 -0.63 -0.29 0.00 0.00 0.00 0.00 60.65 60.15 3ncm s ILE 60 Cb -0.09 -4.39 -0.03 0.00 0.01 0.00 0.00 42.46 37.96 3ncm s ILE 60 CO 0.19 -0.96 1.55 -0.60 0.00 0.00 0.00 174.94 175.12 3ncm s ARG 61 N 2.76 3.94 0.00 2.79 6.06 0.15 -1.58 118.95 133.07 3ncm s ARG 61 Ca 0.15 1.74 0.00 0.00 -2.50 0.00 0.00 55.73 55.11 3ncm s ARG 61 Cb -0.21 -3.98 0.00 0.00 0.06 0.00 0.00 34.95 30.83 3ncm s ARG 61 CO 0.10 -1.12 0.00 0.41 -2.50 0.00 0.00 175.30 172.20 3ncm n GLY 62 N 4.39 2.97 2.47 8.12 0.00 0.10 -4.76 105.19 118.48 3ncm n GLY 62 Ca 0.18 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.78 3ncm n GLY 62 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3ncm n ILE 63 N 0.00 -1.19 -2.46 -0.61 0.13 -0.97 0.75 119.36 115.01 3ncm n ILE 63 Ca 0.00 0.22 -0.35 0.00 -1.10 0.00 0.00 62.75 61.51 3ncm n ILE 63 Cb 0.00 -2.12 -0.03 0.00 -0.84 0.00 0.00 39.64 36.65 3ncm n ILE 63 CO 0.00 0.00 0.00 -0.54 2.80 0.00 0.00 176.55 178.81 3ncm s LYS 64 N -0.43 3.79 0.57 9.51 -0.14 -1.26 -2.61 119.74 129.17 3ncm s LYS 64 Ca 0.00 1.49 0.38 0.00 -1.36 0.00 0.00 55.97 56.48 3ncm s LYS 64 Cb 0.00 -2.21 1.95 0.00 -1.68 0.00 0.00 37.83 35.89 3ncm s LYS 64 CO 0.00 -0.46 2.15 -0.22 -0.76 0.00 0.00 175.35 176.06 3ncm h LYS 65 N 1.75 0.00 0.00 1.68 3.64 -1.90 -1.56 116.57 120.18 3ncm h LYS 65 Ca -0.49 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 3ncm h LYS 65 Cb 1.23 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 3ncm h LYS 65 CO 0.59 0.00 -0.53 -2.37 -2.27 0.00 0.00 179.45 174.88 3ncm n THR 66 N -2.91 0.27 0.30 1.00 5.66 -1.26 -3.86 114.28 113.47 3ncm n THR 66 Ca -0.02 -0.20 0.06 0.00 -3.05 0.00 0.00 64.05 60.84 3ncm n THR 66 Cb 0.12 -0.09 0.21 0.00 -1.55 0.00 0.00 70.33 69.02 3ncm n THR 66 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 3ncm n ASP 67 N -1.94 2.97 -4.90 1.09 9.92 -0.58 -4.91 116.55 118.19 3ncm n ASP 67 Ca 0.04 -2.24 -0.31 0.00 -0.53 0.00 0.00 54.79 51.75 3ncm n ASP 67 Cb 0.41 -0.43 -0.05 0.00 -0.64 0.00 0.00 41.12 40.41 3ncm n ASP 67 CO 0.00 0.00 0.00 -1.83 0.13 0.00 0.00 177.20 175.50 3ncm s GLU 68 N -1.69 3.60 0.00 -1.24 1.03 -1.25 -4.92 118.70 114.23 3ncm s GLU 68 Ca 0.30 -0.12 0.00 0.00 0.03 0.00 0.00 54.97 55.18 3ncm s GLU 68 Cb 0.19 -2.85 0.00 0.00 -0.80 0.00 0.00 34.13 30.67 3ncm s GLU 68 CO 0.15 0.47 0.00 0.41 -1.33 0.00 0.00 175.26 174.96 3ncm n GLY 69 N 0.04 -1.33 2.82 -3.83 0.00 0.66 -4.96 105.19 98.58 3ncm n GLY 69 Ca -0.03 0.55 -0.14 0.00 0.00 0.00 0.00 46.02 46.41 3ncm n GLY 69 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ncm s THR 70 N 0.00 -0.49 0.07 2.61 2.01 -1.26 -1.34 115.64 117.23 3ncm s THR 70 Ca 0.00 -0.38 -0.28 0.00 0.31 0.00 0.00 61.69 61.34 3ncm s THR 70 Cb 0.00 -0.96 -0.05 0.00 0.01 0.00 0.00 72.50 71.50 3ncm s THR 70 CO 0.00 -0.37 0.90 -0.31 -0.69 0.00 0.00 174.62 174.15 3ncm s TYR 71 N 2.43 3.76 -0.27 4.92 1.51 0.18 -4.62 117.35 125.26 3ncm s TYR 71 Ca 0.10 1.68 -0.13 0.00 -1.01 0.00 0.00 57.07 57.70 3ncm s TYR 71 Cb -0.14 -3.00 -0.04 0.00 -0.11 0.00 0.00 41.96 38.67 3ncm s TYR 71 CO -0.30 0.18 0.30 0.50 -1.11 0.00 0.00 175.55 175.12 3ncm s ARG 72 N 0.20 4.00 -0.39 -0.62 3.52 -0.77 -0.31 118.95 124.58 3ncm s ARG 72 Ca 0.45 -0.09 -0.26 0.00 -0.13 0.00 0.00 55.73 55.70 3ncm s ARG 72 Cb -0.22 -3.65 0.02 0.00 -1.56 0.00 0.00 34.95 29.54 3ncm s ARG 72 CO 0.27 -0.23 0.96 0.00 -0.81 0.00 0.00 175.30 175.50 3ncm s GLU 74 N 3.64 2.91 -0.67 0.00 2.12 -0.45 -1.34 118.70 124.91 3ncm s GLU 74 Ca 0.40 -2.89 -0.26 0.00 0.36 0.00 0.00 54.97 52.58 3ncm s GLU 74 Cb -0.11 -3.84 -0.05 0.00 0.26 0.00 0.00 34.13 30.39 3ncm s GLU 74 CO 0.21 -1.22 2.06 0.20 -0.54 0.00 0.00 175.26 175.97 3ncm s GLY 75 N 0.28 -0.06 -0.29 -1.50 0.00 0.23 -0.30 107.32 105.68 3ncm s GLY 75 Ca 0.22 -0.72 -0.10 0.00 0.00 0.00 0.00 44.72 44.12 3ncm s GLY 75 CO -0.08 3.68 0.17 -1.60 0.00 0.00 0.00 173.10 175.27 3ncm s ARG 76 N 7.50 3.63 -0.35 2.90 3.52 0.72 0.08 118.95 136.94 3ncm s ARG 76 Ca 0.77 -0.53 0.00 0.00 -0.13 0.00 0.00 55.73 55.84 3ncm s ARG 76 Cb -0.12 -3.60 0.14 0.00 -1.56 0.00 0.00 34.95 29.81 3ncm s ARG 76 CO 0.16 -0.30 0.23 0.42 -0.81 0.00 0.00 175.30 175.00 3ncm s ILE 77 N 1.68 0.04 -0.38 4.11 1.09 -0.11 -2.25 121.20 125.39 3ncm s ILE 77 Ca 0.06 -1.52 0.07 0.00 -1.10 0.00 0.00 60.65 58.16 3ncm s ILE 77 Cb -0.16 -1.03 0.72 0.00 -1.06 0.00 0.00 42.46 40.92 3ncm s ILE 77 CO 0.08 -0.91 1.86 0.18 -0.10 0.00 0.00 174.94 176.06 3ncm n LEU 78 N 4.17 6.41 -0.05 2.97 4.77 -1.26 0.63 117.00 134.64 3ncm n LEU 78 Ca 0.11 -3.38 -0.06 0.00 -0.03 0.00 0.00 56.01 52.65 3ncm n LEU 78 Cb 0.39 -0.79 -0.06 0.00 -2.33 0.00 0.00 43.42 40.63 3ncm n LEU 78 CO 0.12 0.91 -0.81 0.00 -1.33 0.00 0.00 177.39 176.28 3ncm n ALA 79 N -0.57 1.78 0.03 -1.18 0.00 -1.26 -4.92 120.51 114.39 3ncm n ALA 79 Ca 0.49 -0.52 -0.01 0.00 0.00 0.00 0.00 53.44 53.41 3ncm n ALA 79 Cb 1.52 0.15 -0.00 0.00 0.00 0.00 0.00 19.45 21.11 3ncm n ALA 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3ncm n ARG 80 N -2.53 0.04 0.00 0.00 1.74 -1.26 -5.04 116.66 109.61 3ncm n ARG 80 Ca -0.16 0.02 0.00 0.00 -0.77 0.00 0.00 57.85 56.93 3ncm n ARG 80 Cb 0.75 -0.45 0.00 0.00 -1.02 0.00 0.00 32.46 31.74 3ncm n ARG 80 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ncm n GLY 81 N 3.30 -0.22 0.00 -0.13 0.00 -1.25 -4.98 105.19 101.91 3ncm n GLY 81 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3ncm n GLY 81 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3ncm n GLU 82 N -1.03 0.00 -4.04 1.61 0.28 0.21 -4.88 120.64 112.78 3ncm n GLU 82 Ca 0.00 0.00 -0.27 0.00 -0.16 0.00 0.00 57.16 56.73 3ncm n GLU 82 Cb 0.00 0.00 -0.05 0.00 1.43 0.00 0.00 31.44 32.82 3ncm n GLU 82 CO 0.00 0.00 0.00 0.96 -0.16 0.00 0.00 177.13 177.93 3ncm s ILE 83 N -3.47 4.72 0.16 3.84 -4.36 -1.26 -0.93 121.20 119.90 3ncm s ILE 83 Ca 0.00 -0.91 -0.17 0.00 -0.26 0.00 0.00 60.65 59.31 3ncm s ILE 83 Cb 0.00 -3.39 0.04 0.00 1.25 0.00 0.00 42.46 40.36 3ncm s ILE 83 CO 0.00 -0.05 0.48 0.20 0.24 0.00 0.00 174.94 175.81 3ncm s ASN 84 N -2.98 -0.28 0.20 4.36 0.01 0.11 -4.94 114.94 111.41 3ncm s ASN 84 Ca 0.32 -0.36 -0.22 0.00 -0.71 0.00 0.00 52.86 51.89 3ncm s ASN 84 Cb -0.11 0.53 0.07 0.00 0.41 0.00 0.00 41.25 42.16 3ncm s ASN 84 CO 0.24 -0.96 0.98 0.72 -1.51 0.00 0.00 177.10 176.58 3ncm s PHE 85 N -3.83 0.01 0.00 2.20 -0.12 -1.26 0.75 117.98 115.73 3ncm s PHE 85 Ca 0.06 -0.41 -0.29 0.00 -0.05 0.00 0.00 56.93 56.24 3ncm s PHE 85 Cb 0.00 0.70 0.10 0.00 -0.63 0.00 0.00 43.02 43.19 3ncm s PHE 85 CO -0.08 -0.97 0.92 -1.59 -0.05 0.00 0.00 175.22 173.45 3ncm s LYS 86 N -2.57 0.82 -0.25 1.99 -2.85 -0.45 -4.97 119.74 111.46 3ncm s LYS 86 Ca 0.18 -0.33 -0.13 0.00 -1.00 0.00 0.00 55.97 54.70 3ncm s LYS 86 Cb -0.02 0.36 -0.05 0.00 -2.06 0.00 0.00 37.83 36.06 3ncm s LYS 86 CO 0.05 -0.36 0.25 0.16 0.10 0.00 0.00 175.35 175.55 3ncm s ASP 87 N -2.52 6.18 -0.23 0.03 -4.77 -1.26 -1.20 116.67 112.90 3ncm s ASP 87 Ca 0.06 0.20 -0.07 0.00 -3.30 0.00 0.00 52.55 49.44 3ncm s ASP 87 Cb -0.01 -2.15 -0.03 0.00 -1.09 0.00 0.00 42.92 39.64 3ncm s ASP 87 CO -0.07 -0.04 0.05 -0.63 0.70 0.00 0.00 175.17 175.17 3ncm s ILE 88 N 1.47 4.23 0.02 2.11 1.09 0.57 -4.83 121.20 125.86 3ncm s ILE 88 Ca 0.11 -0.21 -0.22 0.00 -1.10 0.00 0.00 60.65 59.23 3ncm s ILE 88 Cb -0.15 -2.95 -0.05 0.00 -1.06 0.00 0.00 42.46 38.25 3ncm s ILE 88 CO 0.08 0.38 0.66 -1.10 -0.10 0.00 0.00 174.94 174.86 3ncm s GLN 89 N 1.28 4.39 -0.08 2.79 -0.21 0.56 0.51 119.66 128.91 3ncm s GLN 89 Ca 0.04 0.86 0.02 0.00 0.02 0.00 0.00 55.36 56.31 3ncm s GLN 89 Cb -0.15 -3.35 0.01 0.00 1.00 0.00 0.00 33.01 30.53 3ncm s GLN 89 CO 0.03 0.34 -0.14 0.08 -2.12 0.00 0.00 175.29 173.48 3ncm s VAL 90 N -0.14 1.26 -0.04 1.09 1.01 -0.45 0.62 120.40 123.75 3ncm s VAL 90 Ca 0.34 -0.54 0.05 0.00 0.00 0.00 0.00 61.98 61.83 3ncm s VAL 90 Cb -0.19 -1.15 -0.02 0.00 0.00 0.00 0.00 36.38 35.02 3ncm s VAL 90 CO 0.19 0.39 -0.18 -0.63 0.00 0.00 0.00 175.10 174.86 3ncm s ILE 91 N 0.71 2.70 0.00 2.22 1.01 -0.60 -0.25 121.20 126.98 3ncm s ILE 91 Ca -0.13 -0.86 0.00 0.00 0.00 0.00 0.00 60.65 59.66 3ncm s ILE 91 Cb -0.16 -2.02 0.00 0.00 0.01 0.00 0.00 42.46 40.29 3ncm s ILE 91 CO 0.03 0.59 0.03 0.52 0.00 0.00 0.00 174.94 176.11