#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 -0.23 -0.20 -3.48 1.01 -1.18 0.23 120.40 116.56 3ncm s VAL 2 Ca 0.00 -0.19 0.01 0.00 0.00 0.00 0.00 61.98 61.80 3ncm s VAL 2 Cb 0.00 -0.67 0.04 0.00 0.00 0.00 0.00 36.38 35.75 3ncm s VAL 2 CO 0.00 -0.28 -0.13 -0.04 0.00 0.00 0.00 175.10 174.65 3ncm s MET 3 N 2.25 2.31 -0.33 2.72 -1.94 -0.72 -4.88 119.30 118.71 3ncm s MET 3 Ca 0.05 -0.87 -0.29 0.00 -1.71 0.00 0.00 55.69 52.87 3ncm s MET 3 Cb -0.16 -2.48 -0.00 0.00 2.01 0.00 0.00 34.83 34.21 3ncm s MET 3 CO -0.13 -0.37 1.40 -0.06 -0.01 0.00 0.00 175.02 175.85 3ncm s PHE 4 N 1.34 2.47 0.25 -0.03 0.40 -1.26 0.50 117.98 121.65 3ncm s PHE 4 Ca -0.00 0.74 0.06 0.00 -0.60 0.00 0.00 56.93 57.13 3ncm s PHE 4 Cb -0.16 -4.07 -0.05 0.00 0.51 0.00 0.00 43.02 39.25 3ncm s PHE 4 CO -0.09 -2.03 -0.07 -1.59 0.70 0.00 0.00 175.22 172.14 3ncm s LYS 5 N 4.56 1.44 -0.43 0.44 -2.85 0.20 -4.94 119.74 118.16 3ncm s LYS 5 Ca 0.61 -1.71 -0.06 0.00 -1.00 0.00 0.00 55.97 53.81 3ncm s LYS 5 Cb -0.17 -1.02 0.01 0.00 -2.06 0.00 0.00 37.83 34.59 3ncm s LYS 5 CO 0.28 0.05 0.37 -1.71 0.10 0.00 0.00 175.35 174.43 3ncm n ASN 6 N -0.49 -2.95 -3.48 0.03 5.15 -1.26 -0.93 115.26 111.33 3ncm n ASN 6 Ca -0.06 -0.46 -0.27 0.00 -0.60 0.00 0.00 54.58 53.19 3ncm n ASN 6 Cb 0.63 -0.94 -0.11 0.00 -0.53 0.00 0.00 39.78 38.83 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 -2.13 1.73 -0.50 5.20 0.00 -1.26 -2.00 121.76 122.80 3ncm s ALA 7 Ca 0.06 -2.61 -0.27 0.00 0.00 0.00 0.00 51.96 49.14 3ncm s ALA 7 Cb -0.01 -1.68 -0.04 0.00 0.00 0.00 0.00 23.12 21.39 3ncm s ALA 7 CO 0.53 -2.00 2.07 -1.25 0.00 0.00 0.00 175.76 175.11 3ncm s PRO 8 N -0.08 2.58 0.03 0.00 0.05 -1.25 -4.90 135.00 131.41 3ncm s PRO 8 Ca 0.30 1.10 -0.12 0.00 0.05 0.00 0.00 61.00 62.33 3ncm s PRO 8 Cb 0.00 -4.43 -0.06 0.00 0.05 0.00 0.00 34.50 30.06 3ncm s PRO 8 CO -0.17 -2.76 1.19 1.79 0.05 0.00 0.00 177.00 177.10 3ncm h THR 9 N 7.17 0.00 -1.06 1.26 1.35 -1.88 -3.34 112.91 116.41 3ncm h THR 9 Ca -0.27 0.00 -0.44 0.00 -0.55 0.00 0.00 66.41 65.15 3ncm h THR 9 Cb 1.20 0.00 -0.07 0.00 -1.73 0.00 0.00 68.15 67.56 3ncm h THR 9 CO 1.15 0.00 1.09 -2.16 -0.25 0.00 0.00 175.52 175.35 3ncm s PRO 10 N -3.98 2.98 0.54 4.72 0.05 -1.24 0.05 135.00 138.12 3ncm s PRO 10 Ca -0.06 -0.52 0.09 0.00 0.05 0.00 0.00 61.00 60.56 3ncm s PRO 10 Cb 0.01 -5.07 0.07 0.00 0.05 0.00 0.00 34.50 29.56 3ncm s PRO 10 CO 0.20 -2.82 0.74 1.14 0.05 0.00 0.00 177.00 176.31 3ncm s GLN 11 N 6.18 2.43 -0.29 4.56 -2.07 0.26 -4.96 119.66 125.77 3ncm s GLN 11 Ca 0.59 -1.54 -0.12 0.00 -1.82 0.00 0.00 55.36 52.46 3ncm s GLN 11 Cb -0.05 -2.68 0.12 0.00 -1.09 0.00 0.00 33.01 29.32 3ncm s GLN 11 CO -0.02 -0.72 0.68 -2.00 -1.32 0.00 0.00 175.29 171.92 3ncm s GLU 12 N -4.59 0.60 0.03 9.60 -6.30 -1.26 -1.44 118.70 115.35 3ncm s GLU 12 Ca 0.60 1.35 0.00 0.00 -2.50 0.00 0.00 54.97 54.43 3ncm s GLU 12 Cb -0.07 0.65 0.00 0.00 0.00 0.00 0.00 34.13 34.72 3ncm s GLU 12 CO 0.38 -0.18 0.00 1.19 0.02 0.00 0.00 175.26 176.67 3ncm n PHE 13 N 5.11 -0.03 -4.20 5.30 3.72 -0.28 -4.96 117.46 122.12 3ncm n PHE 13 Ca -0.14 -0.17 -0.35 0.00 -0.05 0.00 0.00 57.45 56.74 3ncm n PHE 13 Cb 0.52 -0.02 -0.09 0.00 -0.94 0.00 0.00 39.48 38.95 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 -2.12 3.22 -0.02 -1.08 2.47 -1.26 -4.31 119.74 116.64 3ncm s LYS 14 Ca 0.00 -0.33 -0.30 0.00 -1.56 0.00 0.00 55.97 53.78 3ncm s LYS 14 Cb -0.00 -2.95 -0.09 0.00 -1.46 0.00 0.00 37.83 33.33 3ncm s LYS 14 CO 0.00 0.67 2.00 -0.85 0.16 0.00 0.00 175.35 177.34 3ncm n GLU 15 N 2.26 2.65 -0.85 4.03 0.28 -1.26 -1.51 120.64 126.23 3ncm n GLU 15 Ca -0.19 0.95 0.00 0.00 -0.16 0.00 0.00 57.16 57.76 3ncm n GLU 15 Cb 0.54 -2.99 0.00 0.00 1.43 0.00 0.00 31.44 30.42 3ncm n GLU 15 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3ncm n GLY 16 N 4.72 0.73 3.65 -1.84 0.00 0.25 -5.03 105.19 107.67 3ncm n GLY 16 Ca 0.22 -0.65 -0.24 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.83 2.15 -0.75 1.61 2.12 0.91 -4.63 118.70 118.27 3ncm s GLU 17 Ca 0.00 -1.69 -0.25 0.00 0.36 0.00 0.00 54.97 53.39 3ncm s GLU 17 Cb 0.00 -1.99 0.05 0.00 0.26 0.00 0.00 34.13 32.45 3ncm s GLU 17 CO 0.00 0.14 1.20 -0.51 -0.54 0.00 0.00 175.26 175.55 3ncm s ASP 18 N -3.74 6.22 0.39 -1.70 1.11 -1.26 0.64 116.67 118.33 3ncm s ASP 18 Ca 0.35 -0.79 0.07 0.00 0.18 0.00 0.00 52.55 52.36 3ncm s ASP 18 Cb -0.01 -2.51 0.00 0.00 1.07 0.00 0.00 42.92 41.47 3ncm s ASP 18 CO 0.20 -1.65 0.53 0.00 1.18 0.00 0.00 175.17 175.43 3ncm s ALA 19 N 5.02 4.42 -0.03 5.23 0.00 -0.63 -4.89 121.76 130.88 3ncm s ALA 19 Ca 0.32 -1.60 -0.04 0.00 0.00 0.00 0.00 51.96 50.65 3ncm s ALA 19 Cb -0.10 -1.63 0.01 0.00 0.00 0.00 0.00 23.12 21.40 3ncm s ALA 19 CO 0.10 -0.19 0.10 0.08 0.00 0.00 0.00 175.76 175.84 3ncm s VAL 20 N -2.29 0.01 -0.39 0.00 1.01 -1.26 -0.26 120.40 117.22 3ncm s VAL 20 Ca 0.51 -0.09 -0.16 0.00 0.00 0.00 0.00 61.98 62.24 3ncm s VAL 20 Cb -0.10 -0.17 0.01 0.00 0.00 0.00 0.00 36.38 36.12 3ncm s VAL 20 CO 0.32 -0.05 0.40 -0.63 0.00 0.00 0.00 175.10 175.15 3ncm s ILE 21 N -0.11 5.12 -0.17 2.22 1.01 0.01 -4.85 121.20 124.44 3ncm s ILE 21 Ca -0.02 -0.22 -0.29 0.00 0.00 0.00 0.00 60.65 60.12 3ncm s ILE 21 Cb -0.02 -3.96 -0.01 0.00 0.01 0.00 0.00 42.46 38.48 3ncm s ILE 21 CO 0.00 -0.30 1.27 -0.69 0.00 0.00 0.00 174.94 175.22 3ncm s VAL 22 N 2.07 4.27 -0.37 2.92 1.01 -1.26 -2.25 120.40 126.79 3ncm s VAL 22 Ca 0.12 1.53 0.07 0.00 0.00 0.00 0.00 61.98 63.70 3ncm s VAL 22 Cb -0.17 -4.00 0.19 0.00 0.00 0.00 0.00 36.38 32.40 3ncm s VAL 22 CO 0.13 -0.14 0.64 0.00 0.00 0.00 0.00 175.10 175.73 3ncm s ASP 24 N 2.12 6.92 -0.13 0.00 1.01 -0.11 -4.42 116.67 122.06 3ncm s ASP 24 Ca 0.15 1.11 -0.05 0.00 0.71 0.00 0.00 52.55 54.46 3ncm s ASP 24 Cb -0.05 -2.30 0.06 0.00 1.01 0.00 0.00 42.92 41.64 3ncm s ASP 24 CO -0.12 0.27 0.28 -0.69 0.21 0.00 0.00 175.17 175.12 3ncm s VAL 25 N -1.15 -0.38 -1.27 -1.27 1.01 -1.26 0.62 120.40 116.70 3ncm s VAL 25 Ca 0.28 0.25 -0.18 0.00 0.00 0.00 0.00 61.98 62.33 3ncm s VAL 25 Cb -0.18 -0.46 0.08 0.00 0.00 0.00 0.00 36.38 35.82 3ncm s VAL 25 CO 0.17 0.10 1.68 -0.69 0.00 0.00 0.00 175.10 176.36 3ncm s VAL 26 N 2.25 4.22 0.37 2.92 1.01 0.18 -4.81 120.40 126.54 3ncm s VAL 26 Ca -0.01 -1.93 -0.09 0.00 0.00 0.00 0.00 61.98 59.95 3ncm s VAL 26 Cb -0.12 -5.16 -0.06 0.00 0.00 0.00 0.00 36.38 31.05 3ncm s VAL 26 CO -0.09 -1.97 0.71 -0.44 0.00 0.00 0.00 175.10 173.31 3ncm s SER 27 N 4.11 6.50 0.00 3.32 0.01 -1.25 -1.75 113.70 124.63 3ncm s SER 27 Ca 0.52 1.02 0.00 0.00 1.31 0.00 0.00 55.95 58.80 3ncm s SER 27 Cb 0.03 -2.27 0.00 0.00 0.21 0.00 0.00 66.02 63.98 3ncm s SER 27 CO 0.06 -0.34 0.30 -0.24 0.41 0.00 0.00 173.24 173.42 3ncm n SER 28 N -1.20 0.00 0.13 2.44 2.88 0.14 -4.75 113.62 113.25 3ncm n SER 28 Ca 0.01 0.30 0.00 0.00 -1.33 0.00 0.00 58.87 57.85 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 -0.55 -2.39 0.23 2.46 4.77 -1.26 -4.86 117.00 115.40 3ncm n LEU 29 Ca 0.00 0.63 -0.15 0.00 -0.03 0.00 0.00 56.01 56.46 3ncm n LEU 29 Cb 0.00 2.40 -0.08 0.00 -2.33 0.00 0.00 43.42 43.41 3ncm n LEU 29 CO 0.00 0.11 0.74 1.55 -1.33 0.00 0.00 177.39 178.46 3ncm h PRO 30 N 0.00 -0.50 0.00 3.23 0.14 -2.00 -3.44 132.00 129.43 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 0.11 0.00 0.00 0.14 0.00 0.00 31.00 31.25 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 -1.30 -0.75 1.56 -0.05 -1.26 -5.09 135.00 122.80 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 0.23 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 33.68 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 -2.56 0.00 -4.00 0.52 -1.04 -0.99 -4.95 114.28 101.26 3ncm n THR 32 Ca 0.00 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.69 3ncm n THR 32 Cb 0.00 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.45 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 -2.42 5.02 -0.20 12.58 2.07 -1.26 -0.60 121.20 136.39 3ncm s ILE 33 Ca 0.00 -0.40 -0.02 0.00 -1.41 0.00 0.00 60.65 58.82 3ncm s ILE 33 Cb 0.00 -3.36 -0.00 0.00 0.13 0.00 0.00 42.46 39.23 3ncm s ILE 33 CO 0.00 0.26 -0.10 -0.63 -1.91 0.00 0.00 174.94 172.57 3ncm s ILE 34 N -1.32 2.96 -0.61 2.00 1.09 0.86 -4.89 121.20 121.28 3ncm s ILE 34 Ca 0.28 -0.64 -0.26 0.00 -1.10 0.00 0.00 60.65 58.92 3ncm s ILE 34 Cb -0.12 -2.31 0.04 0.00 -1.06 0.00 0.00 42.46 39.00 3ncm s ILE 34 CO 0.19 0.47 1.11 0.26 -0.10 0.00 0.00 174.94 176.87 3ncm s TRP 35 N 1.30 2.61 0.00 3.97 0.52 -1.26 -1.60 118.94 124.49 3ncm s TRP 35 Ca 0.04 0.11 0.00 0.00 0.02 0.00 0.00 56.10 56.27 3ncm s TRP 35 Cb -0.14 -4.37 0.00 0.00 -1.15 0.00 0.00 33.47 27.81 3ncm s TRP 35 CO -0.05 -1.60 0.00 1.17 0.02 0.00 0.00 176.95 176.49 3ncm n LYS 36 N 8.23 2.76 -3.43 4.98 4.81 -0.61 -1.44 118.16 133.46 3ncm n LYS 36 Ca 0.04 0.00 -0.21 0.00 -0.87 0.00 0.00 58.31 57.27 3ncm n LYS 36 Cb 0.48 0.00 0.06 0.00 0.02 0.00 0.00 35.03 35.59 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 -0.06 -2.24 0.00 5.64 -0.00 -1.26 -0.62 115.22 116.68 3ncm n HIS 37 Ca 0.00 0.73 0.00 0.00 0.46 0.00 0.00 57.72 58.91 3ncm n HIS 37 Cb 0.00 -3.97 0.00 0.00 -0.12 0.00 0.00 29.99 25.90 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 -3.65 0.00 -2.69 1.57 3.00 -1.26 -4.29 118.16 110.84 3ncm n LYS 38 Ca -0.10 0.00 -0.04 0.00 -0.00 0.00 0.00 58.31 58.16 3ncm n LYS 38 Cb 0.62 0.00 0.12 0.00 0.00 0.00 0.00 35.03 35.77 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 -1.32 1.72 3.08 3.14 0.00 -1.26 -5.04 105.19 105.51 3ncm n GLY 39 Ca 0.00 -0.22 -0.11 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.06 -1.91 -2.47 1.61 3.00 -1.26 -4.60 116.66 109.97 3ncm n ARG 40 Ca -0.10 1.72 -0.02 0.00 -0.01 0.00 0.00 57.85 59.43 3ncm n ARG 40 Cb 0.86 -4.97 -0.02 0.00 0.00 0.00 0.00 32.46 28.33 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 -0.98 -5.21 0.20 0.55 -0.08 -1.26 -4.77 116.55 105.00 3ncm n ASP 41 Ca 0.02 1.58 0.04 0.00 -1.51 0.00 0.00 54.79 54.92 3ncm n ASP 41 Cb 0.52 -4.85 0.40 0.00 2.34 0.00 0.00 41.12 39.53 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 4.27 1.10 0.00 5.18 -1.51 -1.50 -2.98 116.25 120.82 3ncm h VAL 42 Ca -0.23 -1.24 0.00 0.00 -1.23 0.00 0.00 66.70 63.99 3ncm h VAL 42 Cb 0.52 1.70 0.00 0.00 -2.13 0.00 0.00 31.29 31.38 3ncm h VAL 42 CO 0.00 0.34 0.07 0.40 -1.23 0.00 0.00 177.57 177.15 3ncm h ILE 43 N 0.00 0.00 0.00 7.19 1.08 -1.89 0.16 117.51 124.04 3ncm h ILE 43 Ca -0.00 0.00 -0.07 0.00 -0.39 0.00 0.00 64.86 64.40 3ncm h ILE 43 Cb 0.67 0.75 -0.01 0.00 -3.07 0.00 0.00 36.82 35.16 3ncm h ILE 43 CO 0.04 0.00 -1.38 0.18 -0.69 0.00 0.00 178.15 176.30 3ncm n LEU 44 N -2.74 0.65 -0.10 1.44 4.32 -1.12 -4.38 117.00 115.07 3ncm n LEU 44 Ca -0.02 0.26 -0.20 0.00 -0.02 0.00 0.00 56.01 56.03 3ncm n LEU 44 Cb 0.12 0.02 -0.12 0.00 -1.62 0.00 0.00 43.42 41.82 3ncm n LEU 44 CO 0.15 -0.02 -1.24 2.29 -1.22 0.00 0.00 177.39 177.35 3ncm n LYS 45 N -2.66 0.67 -3.87 3.23 2.85 -0.56 -5.02 118.16 112.79 3ncm n LYS 45 Ca -0.05 0.19 -0.33 0.00 -1.05 0.00 0.00 58.31 57.06 3ncm n LYS 45 Cb 0.67 -1.56 0.02 0.00 -0.65 0.00 0.00 35.03 33.50 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 -3.41 -1.52 -0.83 -1.58 4.76 0.44 -4.91 118.16 111.12 3ncm n LYS 46 Ca -0.44 0.34 -0.34 0.00 -2.87 0.00 0.00 58.31 55.01 3ncm n LYS 46 Cb 0.99 -3.84 0.11 0.00 -1.84 0.00 0.00 35.03 30.44 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 -2.65 -2.91 0.29 4.39 9.92 -1.26 -4.76 116.55 119.58 3ncm n ASP 47 Ca -0.16 0.25 0.19 0.00 -0.53 0.00 0.00 54.79 54.53 3ncm n ASP 47 Cb 0.61 -1.08 0.96 0.00 -0.64 0.00 0.00 41.12 40.98 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 -1.49 0.16 -0.02 2.53 -1.51 -2.00 -1.67 116.25 112.25 3ncm h VAL 48 Ca -0.44 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.03 3ncm h VAL 48 Cb 1.30 0.84 0.00 0.00 -2.13 0.00 0.00 31.29 31.30 3ncm h VAL 48 CO 0.32 0.00 -0.19 -2.11 -1.23 0.00 0.00 177.57 174.36 3ncm n ARG 49 N -3.27 1.59 -3.28 5.19 1.85 -1.26 -4.89 116.66 112.60 3ncm n ARG 49 Ca -0.01 -1.23 -0.43 0.00 -1.00 0.00 0.00 57.85 55.17 3ncm n ARG 49 Cb 0.25 -1.34 -0.08 0.00 -1.05 0.00 0.00 32.46 30.24 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 -1.82 3.14 -0.27 2.89 0.40 -0.63 0.20 117.98 121.89 3ncm s PHE 50 Ca 0.18 -0.47 -0.00 0.00 -0.60 0.00 0.00 56.93 56.04 3ncm s PHE 50 Cb 0.15 -3.11 0.08 0.00 0.51 0.00 0.00 43.02 40.65 3ncm s PHE 50 CO 0.35 -0.81 0.04 0.42 0.70 0.00 0.00 175.22 175.92 3ncm s ILE 51 N 2.23 1.15 0.01 0.64 1.01 -0.64 -4.60 121.20 121.00 3ncm s ILE 51 Ca 0.12 -1.29 -0.30 0.00 0.00 0.00 0.00 60.65 59.18 3ncm s ILE 51 Cb -0.18 -1.69 -0.05 0.00 0.01 0.00 0.00 42.46 40.55 3ncm s ILE 51 CO 0.13 -0.41 1.20 -0.69 0.00 0.00 0.00 174.94 175.16 3ncm s VAL 52 N 1.52 4.15 0.71 2.92 1.01 -1.26 -1.66 120.40 127.80 3ncm s VAL 52 Ca 0.03 1.52 -0.11 0.00 0.00 0.00 0.00 61.98 63.42 3ncm s VAL 52 Cb -0.18 -3.97 0.03 0.00 0.00 0.00 0.00 36.38 32.25 3ncm s VAL 52 CO -0.14 0.07 1.09 -0.76 0.00 0.00 0.00 175.10 175.35 3ncm s LEU 53 N 1.58 2.86 0.65 3.92 1.43 -0.56 -4.90 118.68 123.66 3ncm s LEU 53 Ca 0.58 1.03 0.42 0.00 -1.03 0.00 0.00 54.13 55.12 3ncm s LEU 53 Cb -0.27 -3.77 2.32 0.00 0.03 0.00 0.00 46.19 44.50 3ncm s LEU 53 CO 0.26 -1.42 2.35 0.77 0.23 0.00 0.00 176.35 178.55 3ncm h SER 54 N -0.68 0.00 -0.34 2.29 4.64 -1.95 -1.46 113.55 116.05 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 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3ncm h SER 54 CO 0.64 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 176.14 3ncm n ASN 55 N -3.21 3.79 -1.73 4.97 6.94 -1.26 -4.90 115.26 119.85 3ncm n ASN 55 Ca -0.03 -2.54 -0.14 0.00 -0.02 0.00 0.00 54.58 51.85 3ncm n ASN 55 Cb 0.08 -0.61 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 0.38 -4.30 -4.96 0.53 4.13 -0.55 -4.58 115.26 105.91 3ncm n ASN 56 Ca 0.16 -0.08 -0.19 0.00 1.68 0.00 0.00 54.58 56.15 3ncm n ASN 56 Cb 0.81 -3.36 -0.01 0.00 -1.54 0.00 0.00 39.78 35.68 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 -2.78 2.91 -0.36 3.10 1.51 -1.25 -4.47 117.35 116.01 3ncm s TYR 57 Ca 0.08 -0.34 0.03 0.00 -1.01 0.00 0.00 57.07 55.83 3ncm s TYR 57 Cb -0.04 -2.13 0.10 0.00 -0.11 0.00 0.00 41.96 39.79 3ncm s TYR 57 CO 0.10 -0.14 0.08 -1.17 -1.11 0.00 0.00 175.55 173.31 3ncm s LEU 58 N -4.20 4.30 -0.69 -1.29 2.96 -0.95 -1.50 118.68 117.31 3ncm s LEU 58 Ca 0.48 -2.18 -0.27 0.00 -0.22 0.00 0.00 54.13 51.95 3ncm s LEU 58 Cb -0.08 -1.50 0.02 0.00 0.50 0.00 0.00 46.19 45.13 3ncm s LEU 58 CO 0.31 -0.37 1.34 -1.10 -1.32 0.00 0.00 176.35 175.20 3ncm s GLN 59 N 0.88 3.18 -0.52 1.98 -0.21 -0.66 -0.81 119.66 123.49 3ncm s GLN 59 Ca 0.12 -0.04 -0.19 0.00 0.02 0.00 0.00 55.36 55.26 3ncm s GLN 59 Cb -0.20 -4.18 0.07 0.00 1.00 0.00 0.00 33.01 29.71 3ncm s GLN 59 CO -0.10 -2.13 0.63 0.42 -2.12 0.00 0.00 175.29 171.99 3ncm s ILE 60 N 5.99 4.88 -0.19 1.08 1.01 0.64 -1.62 121.20 133.00 3ncm s ILE 60 Ca 0.40 -0.63 -0.29 0.00 0.00 0.00 0.00 60.65 60.13 3ncm s ILE 60 Cb -0.09 -4.33 -0.03 0.00 0.01 0.00 0.00 42.46 38.02 3ncm s ILE 60 CO 0.18 -0.86 1.64 -0.60 0.00 0.00 0.00 174.94 175.30 3ncm s ARG 61 N 2.58 3.84 0.00 2.79 3.00 0.13 -1.60 118.95 129.69 3ncm s ARG 61 Ca 0.14 1.77 0.00 0.00 -1.00 0.00 0.00 55.73 56.63 3ncm s ARG 61 Cb -0.21 -4.04 0.00 0.00 0.00 0.00 0.00 34.95 30.71 3ncm s ARG 61 CO 0.10 -1.24 0.00 0.41 0.00 0.00 0.00 175.30 174.57 3ncm n GLY 62 N 4.60 3.11 3.33 8.12 0.00 0.21 -4.77 105.19 119.79 3ncm n GLY 62 Ca 0.19 -0.82 -0.23 0.00 0.00 0.00 0.00 46.02 45.16 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 -4.22 -1.55 -0.61 0.13 -1.09 0.85 119.36 112.86 3ncm n ILE 63 Ca 0.00 0.35 -0.32 0.00 -1.10 0.00 0.00 62.75 61.69 3ncm n ILE 63 Cb 0.00 -3.81 0.06 0.00 -0.84 0.00 0.00 39.64 35.05 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 -1.97 2.72 0.58 9.51 1.02 -1.26 -3.15 119.74 127.18 3ncm s LYS 64 Ca 0.24 1.14 0.31 0.00 0.02 0.00 0.00 55.97 57.68 3ncm s LYS 64 Cb -0.03 -1.96 1.80 0.00 -0.52 0.00 0.00 37.83 37.12 3ncm s LYS 64 CO 0.59 -1.28 2.22 0.87 -0.92 0.00 0.00 175.35 176.83 3ncm h LYS 65 N -0.58 0.00 0.00 1.68 1.57 -1.92 -1.55 116.57 115.77 3ncm h LYS 65 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 3ncm h LYS 65 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 3ncm h LYS 65 CO 0.54 0.03 0.00 0.00 -0.57 0.00 0.00 179.45 179.45 3ncm h THR 66 N 0.00 0.00 0.00 -0.16 1.03 -1.94 -3.27 112.91 108.57 3ncm h THR 66 Ca -0.00 -0.48 -0.21 0.00 -0.01 0.00 0.00 66.41 65.71 3ncm h THR 66 Cb 0.09 1.47 -0.03 0.00 -1.07 0.00 0.00 68.15 68.60 3ncm h THR 66 CO 0.00 0.00 -1.34 -2.24 -0.01 0.00 0.00 175.52 171.93 3ncm h ASP 67 N 0.00 0.00 -3.94 0.00 3.04 -1.64 -3.47 116.42 110.41 3ncm h ASP 67 Ca 0.00 0.00 -0.54 0.00 -3.24 0.00 0.00 57.03 53.25 3ncm h ASP 67 Cb 0.72 0.00 0.10 0.00 -1.04 0.00 0.00 39.33 39.11 3ncm h ASP 67 CO 0.00 0.78 0.73 -1.83 -2.04 0.00 0.00 179.24 176.88 3ncm s GLU 68 N -2.78 4.08 0.00 4.15 -1.05 -1.22 -4.74 118.70 117.14 3ncm s GLU 68 Ca -0.02 2.46 0.00 0.00 -0.15 0.00 0.00 54.97 57.26 3ncm s GLU 68 Cb 0.08 -2.93 0.00 0.00 -0.44 0.00 0.00 34.13 30.85 3ncm s GLU 68 CO 0.81 -0.51 0.00 0.41 0.95 0.00 0.00 175.26 176.92 3ncm n GLY 69 N 0.55 -1.15 2.76 -3.83 0.00 0.18 -4.95 105.19 98.75 3ncm n GLY 69 Ca 0.02 0.52 -0.17 0.00 0.00 0.00 0.00 46.02 46.38 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 -0.39 0.06 2.61 2.01 -1.26 -1.29 115.64 117.39 3ncm s THR 70 Ca 0.00 -0.41 -0.26 0.00 0.31 0.00 0.00 61.69 61.32 3ncm s THR 70 Cb 0.00 -0.92 -0.06 0.00 0.01 0.00 0.00 72.50 71.53 3ncm s THR 70 CO 0.00 -0.42 0.82 -0.31 -0.69 0.00 0.00 174.62 174.02 3ncm s TYR 71 N 2.35 3.76 -0.34 4.92 1.51 0.17 -4.60 117.35 125.13 3ncm s TYR 71 Ca 0.09 1.56 -0.18 0.00 -1.01 0.00 0.00 57.07 57.53 3ncm s TYR 71 Cb -0.14 -2.88 -0.01 0.00 -0.11 0.00 0.00 41.96 38.82 3ncm s TYR 71 CO -0.29 0.26 0.49 0.50 -1.11 0.00 0.00 175.55 175.40 3ncm s ARG 72 N -0.06 3.67 -0.95 -0.62 3.52 0.21 0.41 118.95 125.13 3ncm s ARG 72 Ca 0.41 -0.13 -0.21 0.00 -0.13 0.00 0.00 55.73 55.67 3ncm s ARG 72 Cb -0.21 -3.79 0.10 0.00 -1.56 0.00 0.00 34.95 29.49 3ncm s ARG 72 CO 0.25 -0.59 1.25 0.00 -0.81 0.00 0.00 175.30 175.39 3ncm s GLU 74 N 3.66 3.67 -0.93 0.00 2.02 -0.63 -0.72 118.70 125.78 3ncm s GLU 74 Ca 0.37 -2.05 -0.24 0.00 0.02 0.00 0.00 54.97 53.08 3ncm s GLU 74 Cb -0.03 -4.82 -0.02 0.00 0.10 0.00 0.00 34.13 29.36 3ncm s GLU 74 CO -0.08 -1.65 1.79 0.20 0.02 0.00 0.00 175.26 175.54 3ncm s GLY 75 N 3.16 0.50 -0.21 -1.39 0.00 0.25 -0.10 107.32 109.53 3ncm s GLY 75 Ca 0.31 -1.71 -0.14 0.00 0.00 0.00 0.00 44.72 43.17 3ncm s GLY 75 CO -0.08 3.25 0.31 -1.60 0.00 0.00 0.00 173.10 174.97 3ncm s ARG 76 N 6.40 4.15 -0.35 2.90 3.52 0.23 -0.45 118.95 135.35 3ncm s ARG 76 Ca 0.63 0.03 0.00 0.00 -0.13 0.00 0.00 55.73 56.26 3ncm s ARG 76 Cb -0.05 -3.53 0.14 0.00 -1.56 0.00 0.00 34.95 29.96 3ncm s ARG 76 CO -0.03 0.02 0.25 0.42 -0.81 0.00 0.00 175.30 175.15 3ncm s ILE 77 N 1.15 -0.00 -0.34 4.11 1.09 -0.06 -2.35 121.20 124.79 3ncm s ILE 77 Ca 0.15 -1.44 0.09 0.00 -1.10 0.00 0.00 60.65 58.35 3ncm s ILE 77 Cb -0.14 -0.99 0.73 0.00 -1.06 0.00 0.00 42.46 40.99 3ncm s ILE 77 CO 0.06 -0.86 1.78 0.18 -0.10 0.00 0.00 174.94 175.99 3ncm n LEU 78 N 4.21 5.99 -0.04 2.97 4.77 -1.26 0.72 117.00 134.36 3ncm n LEU 78 Ca 0.10 -3.11 -0.03 0.00 -0.03 0.00 0.00 56.01 52.94 3ncm n LEU 78 Cb 0.39 -0.74 -0.07 0.00 -2.33 0.00 0.00 43.42 40.67 3ncm n LEU 78 CO 0.12 0.78 -0.77 0.00 -1.33 0.00 0.00 177.39 176.19 3ncm n ALA 79 N -0.09 1.84 0.06 -1.18 0.00 -1.26 -4.92 120.51 114.96 3ncm n ALA 79 Ca 0.39 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 53.28 3ncm n ALA 79 Cb 1.36 0.02 0.00 0.00 0.00 0.00 0.00 19.45 20.82 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 -2.28 0.00 0.00 0.00 5.12 -1.26 -5.05 116.66 113.20 3ncm n ARG 80 Ca -0.13 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.79 3ncm n ARG 80 Cb 0.73 -0.36 0.00 0.00 -1.16 0.00 0.00 32.46 31.67 3ncm n ARG 80 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3ncm n GLY 81 N 3.18 -0.24 0.00 -0.13 0.00 -1.24 -4.99 105.19 101.77 3ncm n GLY 81 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.16 -0.44 -3.52 1.61 0.28 0.22 -4.89 120.64 112.74 3ncm n GLU 82 Ca 0.00 0.00 -0.37 0.00 -0.16 0.00 0.00 57.16 56.63 3ncm n GLU 82 Cb 0.00 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 32.80 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 -3.00 5.29 0.16 3.84 -5.25 -1.25 -0.88 121.20 120.10 3ncm s ILE 83 Ca 0.00 0.56 0.05 0.00 -0.99 0.00 0.00 60.65 60.27 3ncm s ILE 83 Cb 0.00 -3.64 -0.04 0.00 2.95 0.00 0.00 42.46 41.72 3ncm s ILE 83 CO 0.00 0.37 -0.11 0.20 -1.79 0.00 0.00 174.94 173.60 3ncm s ASN 84 N 0.58 1.98 0.29 4.36 0.01 0.40 -4.94 114.94 117.63 3ncm s ASN 84 Ca 0.17 -0.99 -0.19 0.00 -0.71 0.00 0.00 52.86 51.13 3ncm s ASN 84 Cb -0.13 -0.04 0.02 0.00 0.41 0.00 0.00 41.25 41.51 3ncm s ASN 84 CO 0.04 -0.28 0.70 0.72 -1.51 0.00 0.00 177.10 176.78 3ncm s PHE 85 N -3.12 -0.07 0.13 2.20 -0.12 -1.26 0.85 117.98 116.59 3ncm s PHE 85 Ca 0.17 -0.41 -0.24 0.00 -0.05 0.00 0.00 56.93 56.40 3ncm s PHE 85 Cb 0.01 0.67 0.07 0.00 -0.63 0.00 0.00 43.02 43.14 3ncm s PHE 85 CO 0.02 -1.27 0.63 0.15 -0.05 0.00 0.00 175.22 174.70 3ncm s LYS 86 N -3.67 1.23 -0.25 1.99 1.02 0.11 -4.91 119.74 115.26 3ncm s LYS 86 Ca 0.13 -0.40 -0.07 0.00 0.02 0.00 0.00 55.97 55.64 3ncm s LYS 86 Cb -0.05 0.57 -0.03 0.00 -0.52 0.00 0.00 37.83 37.80 3ncm s LYS 86 CO 0.08 -0.53 0.07 0.16 -0.92 0.00 0.00 175.35 174.22 3ncm s ASP 87 N -2.61 5.15 -0.24 2.83 1.47 -1.26 0.54 116.67 122.54 3ncm s ASP 87 Ca 0.00 -0.20 -0.08 0.00 1.18 0.00 0.00 52.55 53.45 3ncm s ASP 87 Cb -0.01 -1.93 -0.03 0.00 -0.34 0.00 0.00 42.92 40.61 3ncm s ASP 87 CO -0.11 -0.03 0.09 -0.63 0.68 0.00 0.00 175.17 175.16 3ncm s ILE 88 N 1.61 4.55 -0.34 2.11 1.09 0.16 -4.84 121.20 125.55 3ncm s ILE 88 Ca 0.06 -0.09 -0.25 0.00 -1.10 0.00 0.00 60.65 59.27 3ncm s ILE 88 Cb -0.15 -3.12 0.01 0.00 -1.06 0.00 0.00 42.46 38.13 3ncm s ILE 88 CO 0.04 0.34 0.86 -1.10 -0.10 0.00 0.00 174.94 174.98 3ncm s GLN 89 N 1.44 3.89 -0.13 2.79 -1.52 0.11 0.46 119.66 126.69 3ncm s GLN 89 Ca 0.06 0.57 -0.02 0.00 -1.95 0.00 0.00 55.36 54.02 3ncm s GLN 89 Cb -0.15 -3.77 -0.03 0.00 -0.22 0.00 0.00 33.01 28.85 3ncm s GLN 89 CO 0.05 -0.82 -0.06 0.08 -0.25 0.00 0.00 175.29 174.28 3ncm s VAL 90 N 3.22 3.69 0.24 1.09 1.01 -0.41 0.92 120.40 130.16 3ncm s VAL 90 Ca 0.35 -0.44 0.12 0.00 0.00 0.00 0.00 61.98 62.01 3ncm s VAL 90 Cb -0.13 -2.58 -0.05 0.00 0.00 0.00 0.00 36.38 33.62 3ncm s VAL 90 CO 0.16 0.52 -0.21 -0.63 0.00 0.00 0.00 175.10 174.93 3ncm s ILE 91 N 0.13 2.38 0.00 2.22 1.01 -0.52 0.51 121.20 126.93 3ncm s ILE 91 Ca -0.02 -2.24 0.00 0.00 0.00 0.00 0.00 60.65 58.39 3ncm s ILE 91 Cb -0.14 -2.21 0.00 0.00 0.01 0.00 0.00 42.46 40.12 3ncm s ILE 91 CO 0.03 -0.29 0.00 0.55 0.00 0.00 0.00 174.94 175.23