#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 -0.49 -0.32 -3.48 1.01 -1.21 0.70 120.40 116.61 3ncm s VAL 2 Ca 0.00 -0.25 -0.06 0.00 0.00 0.00 0.00 61.98 61.68 3ncm s VAL 2 Cb 0.00 -0.87 0.04 0.00 0.00 0.00 0.00 36.38 35.55 3ncm s VAL 2 CO 0.00 -0.27 0.08 -0.04 0.00 0.00 0.00 175.10 174.87 3ncm s MET 3 N 2.44 2.67 -0.27 2.72 -1.94 -0.79 -4.86 119.30 119.27 3ncm s MET 3 Ca 0.10 -1.13 -0.29 0.00 -1.71 0.00 0.00 55.69 52.66 3ncm s MET 3 Cb -0.15 -3.39 -0.02 0.00 2.01 0.00 0.00 34.83 33.29 3ncm s MET 3 CO -0.23 -0.62 1.56 -0.06 -0.01 0.00 0.00 175.02 175.66 3ncm s PHE 4 N 1.39 2.21 0.23 -0.03 0.40 -1.26 -0.40 117.98 120.52 3ncm s PHE 4 Ca -0.01 0.63 0.05 0.00 -0.60 0.00 0.00 56.93 57.00 3ncm s PHE 4 Cb -0.19 -4.03 -0.05 0.00 0.51 0.00 0.00 43.02 39.26 3ncm s PHE 4 CO 0.02 -2.60 -0.05 -1.59 0.70 0.00 0.00 175.22 171.70 3ncm s LYS 5 N 4.74 1.35 0.00 0.44 -2.85 0.21 -4.96 119.74 118.66 3ncm s LYS 5 Ca 0.68 -1.66 0.00 0.00 -1.00 0.00 0.00 55.97 54.00 3ncm s LYS 5 Cb -0.22 -0.84 0.00 0.00 -2.06 0.00 0.00 37.83 34.71 3ncm s LYS 5 CO 0.29 0.01 0.00 -1.71 0.10 0.00 0.00 175.35 174.04 3ncm n ASN 6 N -0.42 -3.47 -2.90 0.03 5.15 -1.26 -1.10 115.26 111.28 3ncm n ASN 6 Ca -0.06 0.34 -0.01 0.00 -0.60 0.00 0.00 54.58 54.24 3ncm n ASN 6 Cb 0.63 -0.75 0.01 0.00 -0.53 0.00 0.00 39.78 39.13 3ncm n ASN 6 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3ncm s ALA 7 N -0.22 -2.86 -0.45 5.20 0.00 -1.26 -1.12 121.76 121.05 3ncm s ALA 7 Ca 0.00 0.17 -0.27 0.00 0.00 0.00 0.00 51.96 51.86 3ncm s ALA 7 Cb 0.00 -2.81 -0.03 0.00 0.00 0.00 0.00 23.12 20.28 3ncm s ALA 7 CO 0.00 -2.31 1.99 -1.25 0.00 0.00 0.00 175.76 174.19 3ncm s PRO 8 N 1.36 2.81 0.04 0.00 0.05 -1.26 -4.91 135.00 133.09 3ncm s PRO 8 Ca 0.22 1.20 -0.14 0.00 0.05 0.00 0.00 61.00 62.34 3ncm s PRO 8 Cb 0.01 -4.36 -0.06 0.00 0.05 0.00 0.00 34.50 30.14 3ncm s PRO 8 CO -0.08 -2.49 1.22 1.79 0.05 0.00 0.00 177.00 177.50 3ncm h THR 9 N 7.06 0.00 -1.44 1.26 1.35 -1.89 -3.33 112.91 115.91 3ncm h THR 9 Ca -0.30 0.00 -0.46 0.00 -0.55 0.00 0.00 66.41 65.10 3ncm h THR 9 Cb 1.19 0.00 -0.06 0.00 -1.73 0.00 0.00 68.15 67.55 3ncm h THR 9 CO 1.12 0.00 1.13 -2.16 -0.25 0.00 0.00 175.52 175.36 3ncm s PRO 10 N -4.10 2.93 0.49 4.72 0.05 -1.24 0.03 135.00 137.87 3ncm s PRO 10 Ca -0.06 -0.23 0.08 0.00 0.05 0.00 0.00 61.00 60.84 3ncm s PRO 10 Cb 0.02 -4.79 0.04 0.00 0.05 0.00 0.00 34.50 29.83 3ncm s PRO 10 CO 0.24 -2.72 0.67 1.14 0.05 0.00 0.00 177.00 176.39 3ncm s GLN 11 N 6.32 2.60 -0.24 4.56 -2.07 0.28 -4.96 119.66 126.16 3ncm s GLN 11 Ca 0.57 -1.38 -0.09 0.00 -1.82 0.00 0.00 55.36 52.65 3ncm s GLN 11 Cb -0.07 -2.70 0.10 0.00 -1.09 0.00 0.00 33.01 29.25 3ncm s GLN 11 CO 0.06 -0.53 0.51 -1.83 -1.32 0.00 0.00 175.29 172.18 3ncm s GLU 12 N -4.50 0.44 0.03 9.60 -1.05 -1.26 -1.75 118.70 120.20 3ncm s GLU 12 Ca 0.58 1.17 0.00 0.00 -0.15 0.00 0.00 54.97 56.57 3ncm s GLU 12 Cb -0.08 0.49 -0.00 0.00 -0.44 0.00 0.00 34.13 34.09 3ncm s GLU 12 CO 0.36 -0.22 0.00 1.19 0.95 0.00 0.00 175.26 177.54 3ncm n PHE 13 N 5.27 0.06 -4.22 4.83 3.01 -0.50 -4.98 117.46 120.93 3ncm n PHE 13 Ca -0.11 -0.13 -0.35 0.00 1.01 0.00 0.00 57.45 57.86 3ncm n PHE 13 Cb 0.50 -0.02 -0.09 0.00 -0.01 0.00 0.00 39.48 39.87 3ncm n PHE 13 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 3ncm s LYS 14 N -2.10 3.17 -0.21 -1.08 2.20 -1.26 -4.37 119.74 116.10 3ncm s LYS 14 Ca 0.00 -0.33 -0.28 0.00 -0.36 0.00 0.00 55.97 55.00 3ncm s LYS 14 Cb 0.00 -2.92 -0.05 0.00 -1.51 0.00 0.00 37.83 33.35 3ncm s LYS 14 CO 0.00 0.70 2.08 -2.00 -0.36 0.00 0.00 175.35 175.76 3ncm s GLU 15 N -0.84 3.33 0.00 4.03 2.12 -1.18 -1.54 118.70 124.62 3ncm s GLU 15 Ca 0.13 1.98 0.00 0.00 0.36 0.00 0.00 54.97 57.43 3ncm s GLU 15 Cb -0.12 -4.30 0.00 0.00 0.26 0.00 0.00 34.13 29.98 3ncm s GLU 15 CO 0.03 -1.87 0.00 0.41 -0.54 0.00 0.00 175.26 173.28 3ncm n GLY 16 N 5.48 1.12 3.61 -1.50 0.00 0.25 -5.01 105.19 109.14 3ncm n GLY 16 Ca 0.27 -0.13 -0.25 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.51 2.00 -0.71 1.61 2.12 0.55 -4.66 118.70 119.10 3ncm s GLU 17 Ca 0.00 -1.80 -0.26 0.00 0.36 0.00 0.00 54.97 53.27 3ncm s GLU 17 Cb 0.00 -1.87 0.04 0.00 0.26 0.00 0.00 34.13 32.57 3ncm s GLU 17 CO 0.00 0.14 1.18 -0.51 -0.54 0.00 0.00 175.26 175.53 3ncm s ASP 18 N -3.68 6.17 0.37 -1.70 1.01 -1.26 0.70 116.67 118.27 3ncm s ASP 18 Ca 0.34 -0.62 0.07 0.00 0.71 0.00 0.00 52.55 53.06 3ncm s ASP 18 Cb 0.01 -2.51 -0.01 0.00 1.01 0.00 0.00 42.92 41.41 3ncm s ASP 18 CO 0.19 -1.71 0.45 0.00 0.21 0.00 0.00 175.17 174.31 3ncm s ALA 19 N 5.19 4.22 0.00 5.23 0.00 -0.10 -4.89 121.76 131.40 3ncm s ALA 19 Ca 0.31 -1.63 0.00 0.00 0.00 0.00 0.00 51.96 50.64 3ncm s ALA 19 Cb -0.11 -1.45 -0.00 0.00 0.00 0.00 0.00 23.12 21.56 3ncm s ALA 19 CO 0.14 -0.13 -0.02 0.08 0.00 0.00 0.00 175.76 175.83 3ncm s VAL 20 N -2.30 0.12 -0.39 0.00 1.01 -1.26 0.50 120.40 118.08 3ncm s VAL 20 Ca 0.48 -0.16 -0.17 0.00 0.00 0.00 0.00 61.98 62.12 3ncm s VAL 20 Cb -0.08 -0.13 0.01 0.00 0.00 0.00 0.00 36.38 36.18 3ncm s VAL 20 CO 0.30 -0.03 0.45 -0.63 0.00 0.00 0.00 175.10 175.19 3ncm s ILE 21 N -0.20 5.07 -0.10 2.22 1.01 0.10 -4.84 121.20 124.46 3ncm s ILE 21 Ca -0.01 -0.06 -0.30 0.00 0.00 0.00 0.00 60.65 60.28 3ncm s ILE 21 Cb -0.02 -3.98 -0.03 0.00 0.01 0.00 0.00 42.46 38.44 3ncm s ILE 21 CO -0.00 -0.31 1.29 -0.69 0.00 0.00 0.00 174.94 175.23 3ncm s VAL 22 N 2.22 4.15 -0.36 2.92 1.01 -1.26 -2.21 120.40 126.86 3ncm s VAL 22 Ca 0.14 1.44 0.03 0.00 0.00 0.00 0.00 61.98 63.59 3ncm s VAL 22 Cb -0.16 -3.93 0.19 0.00 0.00 0.00 0.00 36.38 32.48 3ncm s VAL 22 CO 0.14 -0.07 0.72 0.00 0.00 0.00 0.00 175.10 175.89 3ncm s ASP 24 N 2.13 6.85 -0.12 0.00 1.01 -0.26 -4.31 116.67 121.96 3ncm s ASP 24 Ca 0.15 1.01 -0.05 0.00 0.71 0.00 0.00 52.55 54.36 3ncm s ASP 24 Cb -0.04 -2.28 0.06 0.00 1.01 0.00 0.00 42.92 41.66 3ncm s ASP 24 CO -0.13 0.25 0.27 -0.69 0.21 0.00 0.00 175.17 175.07 3ncm s VAL 25 N -0.73 -0.21 -1.20 -1.27 1.01 -1.26 0.63 120.40 117.38 3ncm s VAL 25 Ca 0.25 0.20 -0.13 0.00 0.00 0.00 0.00 61.98 62.31 3ncm s VAL 25 Cb -0.17 -0.43 0.19 0.00 0.00 0.00 0.00 36.38 35.97 3ncm s VAL 25 CO 0.14 0.08 1.42 0.52 0.00 0.00 0.00 175.10 177.26 3ncm n VAL 26 N 4.72 4.31 -1.76 2.92 0.31 0.46 -4.84 118.33 124.45 3ncm n VAL 26 Ca -0.17 -4.81 -0.30 0.00 -0.01 0.00 0.00 64.34 59.06 3ncm n VAL 26 Cb 0.52 -2.47 0.08 0.00 -0.91 0.00 0.00 33.84 31.06 3ncm n VAL 26 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 3ncm s SER 27 N 2.48 4.63 0.00 4.52 0.01 -1.25 -1.89 113.70 122.20 3ncm s SER 27 Ca 0.41 1.04 0.00 0.00 1.31 0.00 0.00 55.95 58.71 3ncm s SER 27 Cb -0.03 -1.69 0.00 0.00 0.21 0.00 0.00 66.02 64.51 3ncm s SER 27 CO -0.01 -1.85 0.49 -0.24 0.41 0.00 0.00 173.24 172.04 3ncm n SER 28 N -3.32 0.00 0.09 2.44 2.88 0.22 -4.73 113.62 111.20 3ncm n SER 28 Ca 0.07 0.49 0.00 0.00 -1.33 0.00 0.00 58.87 58.10 3ncm n SER 28 Cb 0.58 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.04 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 -0.84 -1.59 0.21 2.46 4.77 -1.26 -4.84 117.00 115.91 3ncm n LEU 29 Ca 0.00 0.43 -0.15 0.00 -0.03 0.00 0.00 56.01 56.26 3ncm n LEU 29 Cb 0.00 1.71 -0.08 0.00 -2.33 0.00 0.00 43.42 42.72 3ncm n LEU 29 CO 0.00 -0.02 0.75 1.55 -1.33 0.00 0.00 177.39 178.33 3ncm h PRO 30 N 0.00 -0.45 0.00 3.23 0.14 -2.00 -3.44 132.00 129.47 3ncm h PRO 30 Ca 0.00 0.03 0.00 0.00 0.14 0.00 0.00 66.00 66.17 3ncm h PRO 30 Cb 0.00 0.10 0.00 0.00 0.14 0.00 0.00 31.00 31.24 3ncm h PRO 30 CO 0.00 -0.29 0.00 -2.30 0.14 0.00 0.00 178.00 175.55 3ncm n PRO 31 N -5.28 -0.65 -0.22 1.56 -0.02 -1.26 -5.09 135.00 124.03 3ncm n PRO 31 Ca -0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.38 3ncm n PRO 31 Cb 0.21 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.69 3ncm n PRO 31 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3ncm n THR 32 N -2.09 0.00 -4.10 3.45 -1.04 -1.06 -4.96 114.28 104.48 3ncm n THR 32 Ca 0.00 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.70 3ncm n THR 32 Cb 0.00 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.44 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 -2.36 4.45 -0.19 12.58 1.10 -1.26 -0.33 121.20 135.19 3ncm s ILE 33 Ca 0.00 -0.72 -0.04 0.00 -0.51 0.00 0.00 60.65 59.38 3ncm s ILE 33 Cb 0.00 -3.10 -0.02 0.00 0.15 0.00 0.00 42.46 39.49 3ncm s ILE 33 CO 0.00 0.19 -0.02 -0.63 -2.11 0.00 0.00 174.94 172.37 3ncm s ILE 34 N -1.31 3.79 -0.23 2.00 1.09 0.67 -4.85 121.20 122.36 3ncm s ILE 34 Ca 0.27 -0.37 -0.24 0.00 -1.10 0.00 0.00 60.65 59.20 3ncm s ILE 34 Cb -0.12 -2.70 -0.01 0.00 -1.06 0.00 0.00 42.46 38.57 3ncm s ILE 34 CO 0.19 0.44 0.82 0.26 -0.10 0.00 0.00 174.94 176.55 3ncm s TRP 35 N 0.92 3.32 0.00 3.97 0.52 -1.26 -1.46 118.94 124.95 3ncm s TRP 35 Ca 0.00 1.13 0.00 0.00 0.02 0.00 0.00 56.10 57.25 3ncm s TRP 35 Cb -0.14 -3.03 0.00 0.00 -1.15 0.00 0.00 33.47 29.15 3ncm s TRP 35 CO 0.01 -0.37 0.00 1.63 0.02 0.00 0.00 176.95 178.24 3ncm n LYS 36 N 5.88 1.14 -2.85 4.98 4.76 -0.60 -2.66 118.16 128.80 3ncm n LYS 36 Ca 0.05 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.38 3ncm n LYS 36 Cb 0.48 0.00 0.05 0.00 -1.84 0.00 0.00 35.03 33.72 3ncm n LYS 36 CO 0.00 0.00 0.00 1.58 -1.37 0.00 0.00 177.40 177.61 3ncm n HIS 37 N 0.00 -1.43 -1.93 2.13 -0.00 -1.26 -0.84 115.22 111.88 3ncm n HIS 37 Ca 0.00 0.59 -0.06 0.00 0.46 0.00 0.00 57.72 58.71 3ncm n HIS 37 Cb 0.00 -3.88 -0.06 0.00 -0.12 0.00 0.00 29.99 25.93 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 -2.92 0.00 0.00 1.57 3.00 -1.26 -4.46 118.16 114.09 3ncm n LYS 38 Ca -0.16 -0.85 0.00 0.00 -0.00 0.00 0.00 58.31 57.31 3ncm n LYS 38 Cb 0.60 0.49 0.00 0.00 0.00 0.00 0.00 35.03 36.12 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 0.00 3.19 0.00 3.14 0.00 -1.26 -5.01 105.19 105.25 3ncm n GLY 39 Ca -0.24 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 44.89 3ncm n GLY 39 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3ncm n ARG 40 N 0.00 0.00 -2.39 1.61 0.00 -1.26 -5.12 116.66 109.51 3ncm n ARG 40 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 57.85 57.42 3ncm n ARG 40 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 32.46 32.44 3ncm n ARG 40 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 3ncm s ASP 41 N 0.53 6.88 0.31 2.89 1.11 -1.26 -4.48 116.67 122.65 3ncm s ASP 41 Ca 0.00 1.67 0.04 0.00 0.18 0.00 0.00 52.55 54.44 3ncm s ASP 41 Cb 0.00 -2.54 0.51 0.00 1.07 0.00 0.00 42.92 41.96 3ncm s ASP 41 CO 0.00 -0.82 1.78 -0.37 1.18 0.00 0.00 175.17 176.94 3ncm h VAL 42 N 5.57 1.24 0.00 -1.27 -1.51 -1.90 -2.67 116.25 115.71 3ncm h VAL 42 Ca -0.27 -1.10 0.00 0.00 -1.23 0.00 0.00 66.70 64.10 3ncm h VAL 42 Cb 1.11 1.24 0.00 0.00 -2.13 0.00 0.00 31.29 31.51 3ncm h VAL 42 CO 0.98 0.35 0.02 0.40 -1.23 0.00 0.00 177.57 178.09 3ncm h ILE 43 N 0.41 0.00 0.00 7.19 1.08 -1.91 0.96 117.51 125.24 3ncm h ILE 43 Ca 0.07 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.50 3ncm h ILE 43 Cb 0.55 0.81 -0.01 0.00 -3.07 0.00 0.00 36.82 35.10 3ncm h ILE 43 CO 0.04 0.00 -1.32 0.18 -0.69 0.00 0.00 178.15 176.36 3ncm n LEU 44 N -2.79 0.66 -0.11 1.44 4.32 -1.01 -4.34 117.00 115.17 3ncm n LEU 44 Ca -0.02 0.26 -0.17 0.00 -0.02 0.00 0.00 56.01 56.06 3ncm n LEU 44 Cb 0.08 -0.01 -0.13 0.00 -1.62 0.00 0.00 43.42 41.74 3ncm n LEU 44 CO 0.16 -0.07 -1.23 2.29 -1.22 0.00 0.00 177.39 177.33 3ncm n LYS 45 N -2.64 0.67 -3.89 3.23 2.85 -0.64 -5.02 118.16 112.71 3ncm n LYS 45 Ca -0.04 0.14 -0.30 0.00 -1.05 0.00 0.00 58.31 57.06 3ncm n LYS 45 Cb 0.63 -1.55 0.00 0.00 -0.65 0.00 0.00 35.03 33.46 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 -3.19 -2.20 -0.71 -1.58 4.76 0.24 -4.92 118.16 110.57 3ncm n LYS 46 Ca -0.41 0.37 -0.32 0.00 -2.87 0.00 0.00 58.31 55.08 3ncm n LYS 46 Cb 1.03 -4.14 0.16 0.00 -1.84 0.00 0.00 35.03 30.23 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 -2.79 -1.12 0.33 4.39 9.92 -1.26 -4.84 116.55 121.18 3ncm n ASP 47 Ca -0.22 0.29 0.21 0.00 -0.53 0.00 0.00 54.79 54.54 3ncm n ASP 47 Cb 0.64 -1.30 1.12 0.00 -0.64 0.00 0.00 41.12 40.94 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 -1.83 0.03 -0.84 2.53 -1.51 -2.01 -2.35 116.25 110.27 3ncm h VAL 48 Ca -0.45 0.00 -0.56 0.00 -1.23 0.00 0.00 66.70 64.46 3ncm h VAL 48 Cb 1.29 0.92 -0.31 0.00 -2.13 0.00 0.00 31.29 31.06 3ncm h VAL 48 CO 0.38 0.00 0.20 -2.11 -1.23 0.00 0.00 177.57 174.81 3ncm n ARG 49 N -3.08 2.83 -3.48 5.19 1.85 -1.26 -4.85 116.66 113.86 3ncm n ARG 49 Ca -0.03 -3.53 -0.19 0.00 -1.00 0.00 0.00 57.85 53.10 3ncm n ARG 49 Cb 0.15 -2.22 -0.13 0.00 -1.05 0.00 0.00 32.46 29.22 3ncm n ARG 49 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 3ncm s PHE 50 N -3.64 -0.24 -0.30 2.89 0.40 -0.89 -1.34 117.98 114.86 3ncm s PHE 50 Ca 0.57 -0.01 0.01 0.00 -0.60 0.00 0.00 56.93 56.91 3ncm s PHE 50 Cb 0.46 -0.46 0.09 0.00 0.51 0.00 0.00 43.02 43.63 3ncm s PHE 50 CO 0.02 -0.70 0.05 0.42 0.70 0.00 0.00 175.22 175.71 3ncm s ILE 51 N 2.30 1.53 0.11 0.64 1.01 -0.36 -4.65 121.20 121.78 3ncm s ILE 51 Ca 0.07 -1.71 -0.30 0.00 0.00 0.00 0.00 60.65 58.71 3ncm s ILE 51 Cb -0.15 -2.07 -0.06 0.00 0.01 0.00 0.00 42.46 40.18 3ncm s ILE 51 CO -0.19 -0.53 1.17 -0.69 0.00 0.00 0.00 174.94 174.70 3ncm s VAL 52 N 1.30 3.94 0.51 2.92 1.01 -1.26 -1.47 120.40 127.36 3ncm s VAL 52 Ca 0.07 1.48 -0.04 0.00 0.00 0.00 0.00 61.98 63.49 3ncm s VAL 52 Cb -0.18 -3.95 -0.01 0.00 0.00 0.00 0.00 36.38 32.24 3ncm s VAL 52 CO -0.15 0.17 0.80 -0.76 0.00 0.00 0.00 175.10 175.16 3ncm s LEU 53 N 0.54 3.50 0.64 3.92 1.43 -0.26 -4.93 118.68 123.52 3ncm s LEU 53 Ca 0.56 0.73 0.43 0.00 -1.03 0.00 0.00 54.13 54.82 3ncm s LEU 53 Cb -0.30 -3.62 2.34 0.00 0.03 0.00 0.00 46.19 44.64 3ncm s LEU 53 CO 0.32 -0.76 2.32 0.77 0.23 0.00 0.00 176.35 179.22 3ncm h SER 54 N 0.13 0.00 -0.35 2.29 4.64 -1.95 -1.46 113.55 116.85 3ncm h SER 54 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3ncm h SER 54 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 3ncm h SER 54 CO 0.61 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 176.11 3ncm n ASN 55 N -3.02 3.74 -1.64 4.97 6.94 -1.26 -4.90 115.26 120.09 3ncm n ASN 55 Ca -0.03 -2.52 -0.13 0.00 -0.02 0.00 0.00 54.58 51.88 3ncm n ASN 55 Cb 0.07 -0.60 0.01 0.00 -2.36 0.00 0.00 39.78 36.90 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 0.39 -4.13 -4.90 0.53 4.13 -0.55 -4.46 115.26 106.27 3ncm n ASN 56 Ca 0.16 -0.08 -0.21 0.00 1.68 0.00 0.00 54.58 56.14 3ncm n ASN 56 Cb 0.79 -3.20 -0.03 0.00 -1.54 0.00 0.00 39.78 35.80 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 -2.75 3.08 -0.38 3.10 1.51 -1.25 -4.35 117.35 116.32 3ncm s TYR 57 Ca 0.07 -0.20 0.03 0.00 -1.01 0.00 0.00 57.07 55.96 3ncm s TYR 57 Cb -0.03 -1.74 0.11 0.00 -0.11 0.00 0.00 41.96 40.19 3ncm s TYR 57 CO 0.09 0.24 0.11 -1.17 -1.11 0.00 0.00 175.55 173.70 3ncm s LEU 58 N -4.01 4.23 -0.73 -1.29 2.96 -0.94 -1.10 118.68 117.80 3ncm s LEU 58 Ca 0.39 -2.28 -0.26 0.00 -0.22 0.00 0.00 54.13 51.76 3ncm s LEU 58 Cb -0.08 -1.50 0.01 0.00 0.50 0.00 0.00 46.19 45.12 3ncm s LEU 58 CO 0.28 -0.35 1.56 -1.10 -1.32 0.00 0.00 176.35 175.41 3ncm s GLN 59 N 0.73 2.97 -0.33 1.98 -0.21 -0.54 -0.72 119.66 123.54 3ncm s GLN 59 Ca 0.12 -0.00 -0.20 0.00 0.02 0.00 0.00 55.36 55.30 3ncm s GLN 59 Cb -0.20 -4.42 -0.00 0.00 1.00 0.00 0.00 33.01 29.39 3ncm s GLN 59 CO -0.08 -2.45 0.63 0.42 -2.12 0.00 0.00 175.29 171.68 3ncm s ILE 60 N 7.21 4.92 -0.30 1.08 1.01 0.18 -1.22 121.20 134.07 3ncm s ILE 60 Ca 0.50 0.70 -0.29 0.00 0.00 0.00 0.00 60.65 61.56 3ncm s ILE 60 Cb -0.09 -4.04 0.00 0.00 0.01 0.00 0.00 42.46 38.35 3ncm s ILE 60 CO 0.14 -0.23 1.28 -0.60 0.00 0.00 0.00 174.94 175.53 3ncm s ARG 61 N 2.65 3.93 0.00 2.79 3.00 -0.45 -0.92 118.95 129.94 3ncm s ARG 61 Ca 0.24 1.23 0.00 0.00 -1.00 0.00 0.00 55.73 56.20 3ncm s ARG 61 Cb -0.15 -3.87 0.00 0.00 0.00 0.00 0.00 34.95 30.93 3ncm s ARG 61 CO 0.13 -1.11 0.00 0.41 0.00 0.00 0.00 175.30 174.74 3ncm n GLY 62 N 4.28 2.94 3.73 8.12 0.00 0.22 -4.78 105.19 119.71 3ncm n GLY 62 Ca 0.14 -0.60 -0.24 0.00 0.00 0.00 0.00 46.02 45.32 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 -3.84 -2.11 -0.61 0.13 -1.10 0.88 119.36 112.70 3ncm n ILE 63 Ca 0.00 -0.02 -0.36 0.00 -1.10 0.00 0.00 62.75 61.27 3ncm n ILE 63 Cb 0.00 -3.24 0.02 0.00 -0.84 0.00 0.00 39.64 35.58 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 -4.69 3.14 0.59 9.51 1.02 -1.26 -3.78 119.74 124.27 3ncm s LYS 64 Ca 0.02 1.75 0.32 0.00 0.02 0.00 0.00 55.97 58.08 3ncm s LYS 64 Cb -0.00 -1.97 1.86 0.00 -0.52 0.00 0.00 37.83 37.19 3ncm s LYS 64 CO 0.89 -1.05 2.24 1.57 -0.92 0.00 0.00 175.35 178.08 3ncm h LYS 65 N 1.04 0.00 0.00 1.68 2.10 -1.90 0.17 116.57 119.66 3ncm h LYS 65 Ca -0.50 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.15 3ncm h LYS 65 Cb 1.28 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.61 3ncm h LYS 65 CO 0.56 0.02 0.00 0.00 -2.00 0.00 0.00 179.45 178.03 3ncm h THR 66 N 0.00 0.00 -0.02 0.07 1.03 -1.99 -2.91 112.91 109.08 3ncm h THR 66 Ca -0.00 -0.46 0.00 0.00 -0.01 0.00 0.00 66.41 65.94 3ncm h THR 66 Cb 0.06 1.37 0.00 0.00 -1.07 0.00 0.00 68.15 68.52 3ncm h THR 66 CO 0.00 0.00 -0.09 0.47 -0.01 0.00 0.00 175.52 175.89 3ncm n ASP 67 N -2.80 2.54 -4.83 0.00 9.92 0.04 -4.98 116.55 116.44 3ncm n ASP 67 Ca 0.01 -1.77 -0.32 0.00 -0.53 0.00 0.00 54.79 52.18 3ncm n ASP 67 Cb 0.30 0.10 -0.04 0.00 -0.64 0.00 0.00 41.12 40.85 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 -1.84 3.93 0.00 -1.24 -1.05 -1.10 -4.85 118.70 112.55 3ncm s GLU 68 Ca 0.22 1.03 0.00 0.00 -0.15 0.00 0.00 54.97 56.07 3ncm s GLU 68 Cb 0.17 -2.13 0.00 0.00 -0.44 0.00 0.00 34.13 31.73 3ncm s GLU 68 CO 0.31 -0.29 0.00 0.41 0.95 0.00 0.00 175.26 176.64 3ncm n GLY 69 N -1.30 -1.18 2.95 -3.83 0.00 0.18 -4.98 105.19 97.03 3ncm n GLY 69 Ca 0.07 0.45 -0.07 0.00 0.00 0.00 0.00 46.02 46.47 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 -0.68 0.09 2.61 2.01 -1.26 -0.80 115.64 117.62 3ncm s THR 70 Ca 0.00 -0.18 -0.27 0.00 0.31 0.00 0.00 61.69 61.55 3ncm s THR 70 Cb 0.00 -0.93 -0.06 0.00 0.01 0.00 0.00 72.50 71.52 3ncm s THR 70 CO 0.00 -0.19 0.84 -0.31 -0.69 0.00 0.00 174.62 174.27 3ncm s TYR 71 N 2.59 3.79 -0.27 4.92 1.51 0.15 -4.66 117.35 125.38 3ncm s TYR 71 Ca 0.12 1.62 -0.14 0.00 -1.01 0.00 0.00 57.07 57.66 3ncm s TYR 71 Cb -0.13 -2.90 -0.04 0.00 -0.11 0.00 0.00 41.96 38.77 3ncm s TYR 71 CO -0.24 0.28 0.33 0.50 -1.11 0.00 0.00 175.55 175.31 3ncm s ARG 72 N -0.20 3.98 -0.32 -0.62 3.52 -0.02 -0.39 118.95 124.91 3ncm s ARG 72 Ca 0.41 -0.06 -0.26 0.00 -0.13 0.00 0.00 55.73 55.69 3ncm s ARG 72 Cb -0.22 -3.66 0.01 0.00 -1.56 0.00 0.00 34.95 29.52 3ncm s ARG 72 CO 0.26 -0.26 0.91 0.00 -0.81 0.00 0.00 175.30 175.40 3ncm s GLU 74 N 3.26 2.41 -0.24 0.00 2.02 -0.54 -1.39 118.70 124.22 3ncm s GLU 74 Ca 0.38 -2.73 -0.29 0.00 0.02 0.00 0.00 54.97 52.34 3ncm s GLU 74 Cb -0.13 -3.57 -0.03 0.00 0.10 0.00 0.00 34.13 30.50 3ncm s GLU 74 CO 0.14 -1.17 1.69 0.20 0.02 0.00 0.00 175.26 176.13 3ncm s GLY 75 N -0.01 1.10 0.02 -1.39 0.00 0.20 -0.24 107.32 107.00 3ncm s GLY 75 Ca 0.19 0.45 0.04 0.00 0.00 0.00 0.00 44.72 45.40 3ncm s GLY 75 CO -0.04 3.10 -0.13 -1.60 0.00 0.00 0.00 173.10 174.43 3ncm s ARG 76 N 4.96 0.94 -0.04 2.90 3.52 0.55 -0.94 118.95 130.84 3ncm s ARG 76 Ca 0.75 -0.63 0.07 0.00 -0.13 0.00 0.00 55.73 55.78 3ncm s ARG 76 Cb -0.25 -0.92 -0.02 0.00 -1.56 0.00 0.00 34.95 32.20 3ncm s ARG 76 CO 0.31 0.24 -0.25 0.42 -0.81 0.00 0.00 175.30 175.21 3ncm s ILE 77 N -0.65 1.99 -0.15 4.11 1.01 -0.72 -2.57 121.20 124.22 3ncm s ILE 77 Ca 0.02 -1.06 -0.01 0.00 0.00 0.00 0.00 60.65 59.61 3ncm s ILE 77 Cb -0.07 -1.67 -0.24 0.00 0.01 0.00 0.00 42.46 40.50 3ncm s ILE 77 CO 0.01 0.56 0.24 0.18 0.00 0.00 0.00 174.94 175.93 3ncm n LEU 78 N 2.69 2.36 0.34 2.97 4.77 -1.26 -1.77 117.00 127.10 3ncm n LEU 78 Ca -0.17 0.14 -0.16 0.00 -0.03 0.00 0.00 56.01 55.80 3ncm n LEU 78 Cb 0.52 -0.82 -0.08 0.00 -2.33 0.00 0.00 43.42 40.71 3ncm n LEU 78 CO 0.24 0.80 0.48 0.00 -1.33 0.00 0.00 177.39 177.58 3ncm h ALA 79 N 0.22 -0.87 -1.28 -1.18 0.00 -1.99 -3.18 119.26 110.97 3ncm h ALA 79 Ca -0.45 -0.21 -0.81 0.00 0.00 0.00 0.00 54.91 53.44 3ncm h ALA 79 Cb 2.01 0.34 -0.27 0.00 0.00 0.00 0.00 17.79 19.87 3ncm h ALA 79 CO 0.04 -0.88 1.02 0.54 0.00 0.00 0.00 179.25 179.98 3ncm n ARG 80 N -5.39 5.41 0.00 0.00 1.74 -1.26 -4.97 116.66 112.19 3ncm n ARG 80 Ca -0.12 -4.67 0.00 0.00 -0.77 0.00 0.00 57.85 52.29 3ncm n ARG 80 Cb 0.37 -2.47 0.00 0.00 -1.02 0.00 0.00 32.46 29.34 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 -0.01 0.00 3.40 -0.13 0.00 -1.20 -4.74 105.19 102.51 3ncm n GLY 81 Ca 0.46 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.18 3ncm n GLY 81 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ncm s GLU 82 N 0.00 1.99 -0.47 1.61 2.12 -0.73 -4.94 118.70 118.27 3ncm s GLU 82 Ca 0.00 -1.02 0.06 0.00 0.36 0.00 0.00 54.97 54.37 3ncm s GLU 82 Cb 0.00 -2.10 0.21 0.00 0.26 0.00 0.00 34.13 32.49 3ncm s GLU 82 CO 0.00 0.53 0.47 0.44 -0.54 0.00 0.00 175.26 176.17 3ncm n ILE 83 N 1.74 -0.21 -3.52 -3.70 -5.35 -1.26 -1.75 119.36 105.31 3ncm n ILE 83 Ca -0.17 -4.04 -0.32 0.00 -0.27 0.00 0.00 62.75 57.95 3ncm n ILE 83 Cb 0.52 -1.88 -0.05 0.00 -1.74 0.00 0.00 39.64 36.48 3ncm n ILE 83 CO 0.00 0.00 0.00 0.20 -1.76 0.00 0.00 176.55 174.99 3ncm s ASN 84 N -0.88 6.60 0.28 7.28 -0.87 -0.12 -4.94 114.94 122.28 3ncm s ASN 84 Ca 0.33 0.80 -0.19 0.00 -1.57 0.00 0.00 52.86 52.24 3ncm s ASN 84 Cb 0.09 -2.18 0.06 0.00 -0.02 0.00 0.00 41.25 39.20 3ncm s ASN 84 CO -0.14 0.01 0.90 0.72 -2.57 0.00 0.00 177.10 176.03 3ncm s PHE 85 N -1.68 0.07 0.08 2.20 -0.12 -1.26 0.58 117.98 117.86 3ncm s PHE 85 Ca 0.43 -0.60 -0.27 0.00 -0.05 0.00 0.00 56.93 56.44 3ncm s PHE 85 Cb -0.12 0.76 0.08 0.00 -0.63 0.00 0.00 43.02 43.11 3ncm s PHE 85 CO 0.22 -1.23 0.93 -1.59 -0.05 0.00 0.00 175.22 173.49 3ncm s LYS 86 N -2.38 1.03 -0.28 1.99 -2.85 -0.49 -4.98 119.74 111.78 3ncm s LYS 86 Ca 0.18 -0.50 -0.10 0.00 -1.00 0.00 0.00 55.97 54.54 3ncm s LYS 86 Cb -0.04 0.40 -0.04 0.00 -2.06 0.00 0.00 37.83 36.09 3ncm s LYS 86 CO 0.08 -0.46 0.17 0.16 0.10 0.00 0.00 175.35 175.40 3ncm s ASP 87 N -2.75 5.83 -0.31 0.03 -4.77 -1.26 -1.31 116.67 112.13 3ncm s ASP 87 Ca 0.09 -0.14 -0.11 0.00 -3.30 0.00 0.00 52.55 49.10 3ncm s ASP 87 Cb -0.01 -2.08 -0.02 0.00 -1.09 0.00 0.00 42.92 39.72 3ncm s ASP 87 CO -0.03 -0.08 0.18 -0.63 0.70 0.00 0.00 175.17 175.31 3ncm s ILE 88 N 1.72 4.93 -0.18 2.11 1.09 0.47 -4.83 121.20 126.51 3ncm s ILE 88 Ca 0.07 -0.20 -0.26 0.00 -1.10 0.00 0.00 60.65 59.15 3ncm s ILE 88 Cb -0.16 -3.46 -0.01 0.00 -1.06 0.00 0.00 42.46 37.77 3ncm s ILE 88 CO 0.09 0.12 0.87 -1.10 -0.10 0.00 0.00 174.94 174.82 3ncm s GLN 89 N 1.68 4.30 -0.10 2.79 -0.21 0.10 0.34 119.66 128.56 3ncm s GLN 89 Ca 0.06 1.09 0.03 0.00 0.02 0.00 0.00 55.36 56.56 3ncm s GLN 89 Cb -0.17 -3.58 -0.01 0.00 1.00 0.00 0.00 33.01 30.25 3ncm s GLN 89 CO 0.08 -0.38 -0.21 0.08 -2.12 0.00 0.00 175.29 172.75 3ncm s VAL 90 N 2.31 2.37 0.12 1.09 1.01 0.02 0.10 120.40 127.43 3ncm s VAL 90 Ca 0.40 -0.92 0.07 0.00 0.00 0.00 0.00 61.98 61.53 3ncm s VAL 90 Cb -0.16 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.25 3ncm s VAL 90 CO 0.12 0.55 -0.17 -0.63 0.00 0.00 0.00 175.10 174.97 3ncm s ILE 91 N 0.22 1.52 0.00 2.22 1.01 -0.72 0.48 121.20 125.94 3ncm s ILE 91 Ca -0.13 -1.67 0.00 0.00 0.00 0.00 0.00 60.65 58.85 3ncm s ILE 91 Cb -0.16 -1.55 0.00 0.00 0.01 0.00 0.00 42.46 40.75 3ncm s ILE 91 CO 0.07 -0.27 0.00 0.55 0.00 0.00 0.00 174.94 175.29