#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 -0.39 -0.26 -3.48 1.01 -1.21 0.50 120.40 116.57 3ncm s VAL 2 Ca 0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 61.98 61.81 3ncm s VAL 2 Cb 0.00 -0.76 0.04 0.00 0.00 0.00 0.00 36.38 35.66 3ncm s VAL 2 CO 0.00 -0.23 -0.07 -0.04 0.00 0.00 0.00 175.10 174.76 3ncm s MET 3 N 2.38 2.64 -0.19 2.72 -1.94 -0.82 -4.85 119.30 119.23 3ncm s MET 3 Ca 0.09 -1.11 -0.29 0.00 -1.71 0.00 0.00 55.69 52.67 3ncm s MET 3 Cb -0.15 -2.97 -0.03 0.00 2.01 0.00 0.00 34.83 33.68 3ncm s MET 3 CO -0.16 -0.47 1.56 -0.06 -0.01 0.00 0.00 175.02 175.88 3ncm s PHE 4 N 1.26 2.22 0.22 -0.03 0.40 -1.26 0.26 117.98 121.04 3ncm s PHE 4 Ca -0.03 0.56 0.12 0.00 -0.60 0.00 0.00 56.93 56.98 3ncm s PHE 4 Cb -0.18 -3.90 -0.05 0.00 0.51 0.00 0.00 43.02 39.40 3ncm s PHE 4 CO -0.05 -2.86 -0.23 0.15 0.70 0.00 0.00 175.22 172.94 3ncm s LYS 5 N 4.37 1.58 -0.40 0.44 1.02 0.22 -4.89 119.74 122.08 3ncm s LYS 5 Ca 0.69 -1.60 -0.30 0.00 0.02 0.00 0.00 55.97 54.78 3ncm s LYS 5 Cb -0.25 -1.83 0.04 0.00 -0.52 0.00 0.00 37.83 35.27 3ncm s LYS 5 CO 0.27 0.38 0.57 -1.71 -0.92 0.00 0.00 175.35 173.94 3ncm n ASN 6 N -0.01 -6.13 -2.87 2.83 5.15 -1.26 -0.88 115.26 112.09 3ncm n ASN 6 Ca -0.10 0.07 -0.23 0.00 -0.60 0.00 0.00 54.58 53.72 3ncm n ASN 6 Cb 0.57 -2.44 -0.02 0.00 -0.53 0.00 0.00 39.78 37.36 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 -0.04 4.06 -1.76 5.20 0.00 -1.26 -2.26 120.51 124.45 3ncm n ALA 7 Ca -0.04 -4.19 -0.20 0.00 0.00 0.00 0.00 53.44 49.02 3ncm n ALA 7 Cb 0.61 -0.75 -0.06 0.00 0.00 0.00 0.00 19.45 19.24 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 -3.23 2.00 0.13 0.00 0.05 -1.26 -4.84 135.00 127.85 3ncm s PRO 8 Ca 0.45 0.24 -0.26 0.00 0.05 0.00 0.00 61.00 61.47 3ncm s PRO 8 Cb 0.34 -4.87 -0.04 0.00 0.05 0.00 0.00 34.50 29.97 3ncm s PRO 8 CO -0.12 -3.97 1.62 1.79 0.05 0.00 0.00 177.00 176.37 3ncm h THR 9 N 7.51 0.33 -1.49 1.26 1.35 -1.90 -3.35 112.91 116.62 3ncm h THR 9 Ca 0.02 0.00 -0.59 0.00 -0.55 0.00 0.00 66.41 65.30 3ncm h THR 9 Cb 1.02 0.33 -0.10 0.00 -1.73 0.00 0.00 68.15 67.67 3ncm h THR 9 CO 1.09 0.00 1.36 -2.16 -0.25 0.00 0.00 175.52 175.56 3ncm s PRO 10 N -6.02 3.48 0.44 4.72 0.05 -1.25 0.48 135.00 136.89 3ncm s PRO 10 Ca -0.15 -0.89 0.08 0.00 0.05 0.00 0.00 61.00 60.09 3ncm s PRO 10 Cb 0.09 -5.02 0.01 0.00 0.05 0.00 0.00 34.50 29.64 3ncm s PRO 10 CO 0.66 -2.18 0.57 1.14 0.05 0.00 0.00 177.00 177.23 3ncm s GLN 11 N 5.13 2.73 -0.26 4.56 -2.07 0.92 -4.99 119.66 125.69 3ncm s GLN 11 Ca 0.42 -1.33 -0.07 0.00 -1.82 0.00 0.00 55.36 52.56 3ncm s GLN 11 Cb -0.02 -2.69 0.12 0.00 -1.09 0.00 0.00 33.01 29.33 3ncm s GLN 11 CO -0.03 -0.33 0.55 -1.83 -1.32 0.00 0.00 175.29 172.33 3ncm s GLU 12 N -4.36 0.48 0.00 9.60 -1.05 -1.26 -1.52 118.70 120.59 3ncm s GLU 12 Ca 0.55 1.20 0.00 0.00 -0.15 0.00 0.00 54.97 56.57 3ncm s GLU 12 Cb -0.09 0.56 0.00 0.00 -0.44 0.00 0.00 34.13 34.17 3ncm s GLU 12 CO 0.33 -0.30 0.00 1.19 0.95 0.00 0.00 175.26 177.43 3ncm n PHE 13 N 5.42 -0.83 -4.00 4.83 3.72 -0.66 -4.98 117.46 120.96 3ncm n PHE 13 Ca -0.09 -0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 56.95 3ncm n PHE 13 Cb 0.49 -0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.96 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 -2.00 3.34 0.01 -1.08 2.20 -1.26 -4.43 119.74 116.52 3ncm s LYS 14 Ca 0.00 -0.20 -0.30 0.00 -0.36 0.00 0.00 55.97 55.11 3ncm s LYS 14 Cb -0.00 -3.09 -0.09 0.00 -1.51 0.00 0.00 37.83 33.14 3ncm s LYS 14 CO 0.00 0.75 2.00 -1.91 -0.36 0.00 0.00 175.35 175.83 3ncm n GLU 15 N 2.06 2.78 -0.96 4.03 2.13 -1.25 -1.57 120.64 127.87 3ncm n GLU 15 Ca -0.20 1.00 0.00 0.00 0.66 0.00 0.00 57.16 58.63 3ncm n GLU 15 Cb 0.55 -3.03 0.00 0.00 0.27 0.00 0.00 31.44 29.22 3ncm n GLU 15 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3ncm n GLY 16 N 4.68 0.65 3.66 8.31 0.00 0.25 -5.03 105.19 117.71 3ncm n GLY 16 Ca 0.21 -0.73 -0.24 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.03 2.17 -0.77 1.61 2.12 0.10 -4.60 118.70 117.31 3ncm s GLU 17 Ca 0.00 -1.66 -0.27 0.00 0.36 0.00 0.00 54.97 53.41 3ncm s GLU 17 Cb 0.00 -2.02 0.03 0.00 0.26 0.00 0.00 34.13 32.40 3ncm s GLU 17 CO 0.00 0.16 1.31 -0.51 -0.54 0.00 0.00 175.26 175.68 3ncm s ASP 18 N -3.74 6.17 0.44 -1.70 1.01 -1.26 0.66 116.67 118.24 3ncm s ASP 18 Ca 0.35 -0.54 0.08 0.00 0.71 0.00 0.00 52.55 53.15 3ncm s ASP 18 Cb -0.01 -2.56 0.02 0.00 1.01 0.00 0.00 42.92 41.37 3ncm s ASP 18 CO 0.20 -1.82 0.59 0.00 0.21 0.00 0.00 175.17 174.36 3ncm s ALA 19 N 5.75 4.52 -0.04 5.23 0.00 0.10 -4.88 121.76 132.44 3ncm s ALA 19 Ca 0.37 -1.69 -0.04 0.00 0.00 0.00 0.00 51.96 50.59 3ncm s ALA 19 Cb -0.07 -1.63 0.01 0.00 0.00 0.00 0.00 23.12 21.43 3ncm s ALA 19 CO 0.12 -0.34 0.12 0.08 0.00 0.00 0.00 175.76 175.75 3ncm s VAL 20 N -2.39 0.01 -0.34 0.00 1.01 -1.26 0.36 120.40 117.79 3ncm s VAL 20 Ca 0.56 -0.08 -0.16 0.00 0.00 0.00 0.00 61.98 62.29 3ncm s VAL 20 Cb -0.10 -0.20 -0.01 0.00 0.00 0.00 0.00 36.38 36.07 3ncm s VAL 20 CO 0.34 -0.05 0.41 -0.63 0.00 0.00 0.00 175.10 175.17 3ncm s ILE 21 N -0.10 5.12 -0.12 2.22 1.01 0.17 -4.85 121.20 124.66 3ncm s ILE 21 Ca -0.02 0.14 -0.30 0.00 0.00 0.00 0.00 60.65 60.48 3ncm s ILE 21 Cb -0.02 -3.86 -0.02 0.00 0.01 0.00 0.00 42.46 38.57 3ncm s ILE 21 CO 0.00 -0.13 1.26 -0.69 0.00 0.00 0.00 174.94 175.38 3ncm s VAL 22 N 2.13 4.23 -0.39 2.92 1.01 -1.26 -2.25 120.40 126.79 3ncm s VAL 22 Ca 0.14 1.52 0.03 0.00 0.00 0.00 0.00 61.98 63.67 3ncm s VAL 22 Cb -0.16 -3.98 0.18 0.00 0.00 0.00 0.00 36.38 32.42 3ncm s VAL 22 CO 0.12 -0.08 0.77 0.00 0.00 0.00 0.00 175.10 175.91 3ncm s ASP 24 N 1.75 6.94 -0.16 0.00 1.01 -0.06 -4.41 116.67 121.74 3ncm s ASP 24 Ca 0.17 1.25 -0.13 0.00 0.71 0.00 0.00 52.55 54.56 3ncm s ASP 24 Cb -0.01 -2.36 0.05 0.00 1.01 0.00 0.00 42.92 41.61 3ncm s ASP 24 CO -0.09 0.05 0.42 -0.69 0.21 0.00 0.00 175.17 175.07 3ncm s VAL 25 N -1.52 -0.01 -1.12 -1.27 1.01 -1.26 0.72 120.40 116.96 3ncm s VAL 25 Ca 0.41 0.03 -0.08 0.00 0.00 0.00 0.00 61.98 62.33 3ncm s VAL 25 Cb -0.16 -0.59 0.28 0.00 0.00 0.00 0.00 36.38 35.91 3ncm s VAL 25 CO 0.20 0.01 1.19 0.52 0.00 0.00 0.00 175.10 177.02 3ncm n VAL 26 N 3.25 4.68 -1.89 2.92 0.31 0.14 -4.85 118.33 122.89 3ncm n VAL 26 Ca -0.16 -5.44 -0.30 0.00 -0.01 0.00 0.00 64.34 58.43 3ncm n VAL 26 Cb 0.57 -2.51 0.03 0.00 -0.91 0.00 0.00 33.84 31.02 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 0.90 5.69 0.00 4.52 0.01 -1.25 -1.94 113.70 121.62 3ncm s SER 27 Ca 0.32 1.21 0.00 0.00 1.31 0.00 0.00 55.95 58.79 3ncm s SER 27 Cb -0.07 -2.09 0.00 0.00 0.21 0.00 0.00 66.02 64.07 3ncm s SER 27 CO -0.05 -1.19 0.51 -0.24 0.41 0.00 0.00 173.24 172.68 3ncm n SER 28 N -2.92 0.00 0.07 2.44 2.88 0.18 -4.77 113.62 111.50 3ncm n SER 28 Ca 0.07 0.51 0.00 0.00 -1.33 0.00 0.00 58.87 58.11 3ncm n SER 28 Cb 0.56 -0.01 0.00 0.00 -0.75 0.00 0.00 64.21 64.01 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 -0.98 -1.34 0.20 2.46 4.77 -1.26 -4.87 117.00 115.98 3ncm n LEU 29 Ca 0.00 0.47 -0.15 0.00 -0.03 0.00 0.00 56.01 56.30 3ncm n LEU 29 Cb 0.00 1.49 -0.08 0.00 -2.33 0.00 0.00 43.42 42.50 3ncm n LEU 29 CO 0.00 0.03 0.76 1.55 -1.33 0.00 0.00 177.39 178.40 3ncm h PRO 30 N 0.00 -0.42 0.00 3.23 0.14 -2.00 -3.44 132.00 129.51 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 0.09 0.00 0.00 0.14 0.00 0.00 31.00 31.23 3ncm h PRO 30 CO 0.00 -0.27 0.00 -0.35 0.14 0.00 0.00 178.00 177.52 3ncm n PRO 31 N -5.27 -0.12 -1.24 1.56 -0.05 -1.26 -5.09 135.00 123.53 3ncm n PRO 31 Ca -0.10 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.35 3ncm n PRO 31 Cb 0.20 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 33.65 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 -1.70 0.00 -3.95 0.52 -1.04 -1.05 -4.98 114.28 102.08 3ncm n THR 32 Ca 0.00 0.00 -0.26 0.00 -2.04 0.00 0.00 64.05 61.75 3ncm n THR 32 Cb 0.00 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.48 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 -2.47 5.29 -0.09 12.58 2.07 -1.26 -0.66 121.20 136.65 3ncm s ILE 33 Ca 0.00 -0.72 0.03 0.00 -1.41 0.00 0.00 60.65 58.55 3ncm s ILE 33 Cb 0.00 -3.73 -0.01 0.00 0.13 0.00 0.00 42.46 38.85 3ncm s ILE 33 CO 0.00 -0.11 -0.20 -0.63 -1.91 0.00 0.00 174.94 172.09 3ncm s ILE 34 N -1.76 2.45 -0.52 2.00 1.09 0.15 -4.88 121.20 119.74 3ncm s ILE 34 Ca 0.34 -0.90 -0.19 0.00 -1.10 0.00 0.00 60.65 58.81 3ncm s ILE 34 Cb -0.11 -1.96 0.07 0.00 -1.06 0.00 0.00 42.46 39.40 3ncm s ILE 34 CO 0.28 0.56 0.63 0.26 -0.10 0.00 0.00 174.94 176.57 3ncm s TRP 35 N 0.11 3.05 0.12 3.97 0.52 -1.26 -0.92 118.94 124.52 3ncm s TRP 35 Ca -0.10 -0.62 0.01 0.00 0.02 0.00 0.00 56.10 55.42 3ncm s TRP 35 Cb -0.16 -3.59 0.01 0.00 -1.15 0.00 0.00 33.47 28.59 3ncm s TRP 35 CO 0.06 -1.06 0.12 1.17 0.02 0.00 0.00 176.95 177.26 3ncm n LYS 36 N 6.15 1.13 -1.06 4.98 4.81 -0.37 -1.04 118.16 132.76 3ncm n LYS 36 Ca -0.07 -0.67 0.13 0.00 -0.87 0.00 0.00 58.31 56.83 3ncm n LYS 36 Cb 0.45 0.02 -0.06 0.00 0.02 0.00 0.00 35.03 35.46 3ncm n LYS 36 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 3ncm n HIS 37 N -1.01 -2.80 -2.11 5.64 8.25 -1.24 -1.87 115.22 120.09 3ncm n HIS 37 Ca 0.01 1.49 -0.17 0.00 -0.26 0.00 0.00 57.72 58.79 3ncm n HIS 37 Cb 0.13 -2.54 -0.03 0.00 1.12 0.00 0.00 29.99 28.66 3ncm n HIS 37 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 3ncm n LYS 38 N -3.81 -1.73 0.00 -0.41 3.00 -1.26 -3.66 118.16 110.29 3ncm n LYS 38 Ca -0.04 0.90 0.00 0.00 -0.00 0.00 0.00 58.31 59.17 3ncm n LYS 38 Cb 0.50 -5.44 0.00 0.00 0.00 0.00 0.00 35.03 30.09 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 -0.72 0.78 7.00 3.14 0.00 -1.26 -5.04 105.19 109.09 3ncm n GLY 39 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 0.00 -1.63 1.61 5.12 -1.24 -4.36 116.66 116.16 3ncm n ARG 40 Ca 0.00 0.00 -0.43 0.00 -1.93 0.00 0.00 57.85 55.49 3ncm n ARG 40 Cb 0.00 0.00 -0.03 0.00 -1.16 0.00 0.00 32.46 31.27 3ncm n ARG 40 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3ncm s ASP 41 N -4.00 5.64 0.42 0.55 1.01 -1.26 -3.62 116.67 115.41 3ncm s ASP 41 Ca 0.00 2.02 0.18 0.00 0.71 0.00 0.00 52.55 55.46 3ncm s ASP 41 Cb 0.00 -2.51 0.92 0.00 1.01 0.00 0.00 42.92 42.34 3ncm s ASP 41 CO 0.00 -1.79 1.88 -0.37 0.21 0.00 0.00 175.17 175.10 3ncm h VAL 42 N 6.86 0.98 0.00 -1.27 -1.51 -1.28 -2.91 116.25 117.12 3ncm h VAL 42 Ca -0.42 -1.10 0.00 0.00 -1.23 0.00 0.00 66.70 63.95 3ncm h VAL 42 Cb 1.24 1.63 0.00 0.00 -2.13 0.00 0.00 31.29 32.03 3ncm h VAL 42 CO 0.96 0.29 0.03 0.40 -1.23 0.00 0.00 177.57 178.02 3ncm h ILE 43 N 0.00 0.00 0.00 7.19 2.04 -1.89 -0.16 117.51 124.69 3ncm h ILE 43 Ca -0.00 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.80 3ncm h ILE 43 Cb 0.61 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 3ncm h ILE 43 CO 0.04 0.00 -1.33 0.18 0.00 0.00 0.00 178.15 177.04 3ncm n LEU 44 N -2.66 0.68 -0.09 1.44 4.32 -1.10 -4.35 117.00 115.24 3ncm n LEU 44 Ca -0.02 0.27 -0.18 0.00 -0.02 0.00 0.00 56.01 56.07 3ncm n LEU 44 Cb 0.08 0.00 -0.13 0.00 -1.62 0.00 0.00 43.42 41.76 3ncm n LEU 44 CO 0.14 -0.05 -1.17 2.29 -1.22 0.00 0.00 177.39 177.39 3ncm n LYS 45 N -2.66 0.68 -3.93 3.23 2.85 -0.61 -5.02 118.16 112.70 3ncm n LYS 45 Ca -0.04 0.17 -0.32 0.00 -1.05 0.00 0.00 58.31 57.06 3ncm n LYS 45 Cb 0.65 -1.58 -0.00 0.00 -0.65 0.00 0.00 35.03 33.45 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 -3.25 -1.77 -0.64 -1.58 4.76 -0.17 -4.92 118.16 110.58 3ncm n LYS 46 Ca -0.40 0.32 -0.32 0.00 -2.87 0.00 0.00 58.31 55.04 3ncm n LYS 46 Cb 1.02 -3.90 0.19 0.00 -1.84 0.00 0.00 35.03 30.50 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 -2.72 -2.32 0.32 4.39 9.92 -1.26 -4.82 116.55 120.07 3ncm n ASP 47 Ca -0.21 -0.14 0.22 0.00 -0.53 0.00 0.00 54.79 54.13 3ncm n ASP 47 Cb 0.63 -0.99 1.14 0.00 -0.64 0.00 0.00 41.12 41.27 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 -2.17 0.00 -1.29 2.53 -1.51 -2.00 -2.99 116.25 108.82 3ncm h VAL 48 Ca -0.55 -0.04 -0.58 0.00 -1.23 0.00 0.00 66.70 64.30 3ncm h VAL 48 Cb 1.36 1.00 -0.42 0.00 -2.13 0.00 0.00 31.29 31.10 3ncm h VAL 48 CO 0.40 0.00 -0.70 -2.11 -1.23 0.00 0.00 177.57 173.93 3ncm n ARG 49 N -3.01 3.46 -3.43 5.19 1.85 -1.26 -4.88 116.66 114.58 3ncm n ARG 49 Ca -0.03 -4.37 -0.20 0.00 -1.00 0.00 0.00 57.85 52.26 3ncm n ARG 49 Cb 0.09 -2.26 -0.11 0.00 -1.05 0.00 0.00 32.46 29.13 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 -3.57 -0.27 -0.19 2.89 0.40 -1.13 -1.53 117.98 114.58 3ncm s PHE 50 Ca 0.49 -0.39 0.00 0.00 -0.60 0.00 0.00 56.93 56.44 3ncm s PHE 50 Cb 0.41 -0.56 0.04 0.00 0.51 0.00 0.00 43.02 43.42 3ncm s PHE 50 CO -0.12 -0.91 -0.08 0.42 0.70 0.00 0.00 175.22 175.23 3ncm s ILE 51 N 2.23 1.48 0.04 0.64 1.09 -0.67 -4.65 121.20 121.36 3ncm s ILE 51 Ca 0.10 -0.91 -0.30 0.00 -1.10 0.00 0.00 60.65 58.43 3ncm s ILE 51 Cb -0.15 -1.60 -0.04 0.00 -1.06 0.00 0.00 42.46 39.62 3ncm s ILE 51 CO -0.31 0.14 0.97 -0.69 -0.10 0.00 0.00 174.94 174.95 3ncm s VAL 52 N 1.47 4.73 0.66 2.92 1.01 -1.26 -1.34 120.40 128.59 3ncm s VAL 52 Ca -0.01 2.06 -0.10 0.00 0.00 0.00 0.00 61.98 63.94 3ncm s VAL 52 Cb -0.16 -4.32 0.01 0.00 0.00 0.00 0.00 36.38 31.90 3ncm s VAL 52 CO -0.08 0.22 1.02 -0.76 0.00 0.00 0.00 175.10 175.50 3ncm s LEU 53 N 0.64 3.06 0.66 3.92 1.43 -0.42 -4.91 118.68 123.05 3ncm s LEU 53 Ca 0.50 1.03 0.44 0.00 -1.03 0.00 0.00 54.13 55.07 3ncm s LEU 53 Cb -0.22 -3.87 2.38 0.00 0.03 0.00 0.00 46.19 44.52 3ncm s LEU 53 CO 0.29 -1.18 2.36 0.77 0.23 0.00 0.00 176.35 178.81 3ncm h SER 54 N -0.45 0.00 -0.34 2.29 4.64 -1.96 -1.38 113.55 116.35 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 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3ncm h SER 54 CO 0.63 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 176.13 3ncm n ASN 55 N -3.11 3.60 -1.74 4.97 6.94 -1.26 -4.90 115.26 119.77 3ncm n ASN 55 Ca -0.03 -2.49 -0.14 0.00 -0.02 0.00 0.00 54.58 51.90 3ncm n ASN 55 Cb 0.08 -0.58 0.01 0.00 -2.36 0.00 0.00 39.78 36.92 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 -4.31 -4.92 0.53 4.13 -0.52 -4.54 115.26 106.01 3ncm n ASN 56 Ca 0.16 -0.08 -0.20 0.00 1.68 0.00 0.00 54.58 56.13 3ncm n ASN 56 Cb 0.76 -3.36 -0.02 0.00 -1.54 0.00 0.00 39.78 35.62 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 -2.79 2.93 -0.37 3.10 1.51 -1.25 -4.45 117.35 116.04 3ncm s TYR 57 Ca 0.08 -0.32 0.03 0.00 -1.01 0.00 0.00 57.07 55.86 3ncm s TYR 57 Cb -0.04 -2.01 0.11 0.00 -0.11 0.00 0.00 41.96 39.92 3ncm s TYR 57 CO 0.10 -0.02 0.10 -1.17 -1.11 0.00 0.00 175.55 173.45 3ncm s LEU 58 N -4.13 4.33 -0.53 -1.29 2.96 -0.95 -1.31 118.68 117.76 3ncm s LEU 58 Ca 0.45 -2.26 -0.28 0.00 -0.22 0.00 0.00 54.13 51.83 3ncm s LEU 58 Cb -0.07 -1.52 0.01 0.00 0.50 0.00 0.00 46.19 45.10 3ncm s LEU 58 CO 0.29 -0.36 1.49 -1.10 -1.32 0.00 0.00 176.35 175.35 3ncm s GLN 59 N 0.77 3.26 -0.39 1.98 -0.21 -0.45 -0.65 119.66 123.97 3ncm s GLN 59 Ca 0.12 0.59 -0.17 0.00 0.02 0.00 0.00 55.36 55.92 3ncm s GLN 59 Cb -0.20 -4.15 0.01 0.00 1.00 0.00 0.00 33.01 29.67 3ncm s GLN 59 CO -0.08 -1.97 0.43 0.42 -2.12 0.00 0.00 175.29 171.96 3ncm s ILE 60 N 6.35 5.10 -0.32 1.08 1.01 0.16 -1.66 121.20 132.91 3ncm s ILE 60 Ca 0.57 -0.15 -0.29 0.00 0.00 0.00 0.00 60.65 60.78 3ncm s ILE 60 Cb -0.12 -3.97 -0.00 0.00 0.01 0.00 0.00 42.46 38.37 3ncm s ILE 60 CO 0.26 -0.31 1.48 -0.60 0.00 0.00 0.00 174.94 175.77 3ncm s ARG 61 N 2.14 3.70 0.00 2.79 3.00 -0.58 -0.72 118.95 129.28 3ncm s ARG 61 Ca 0.13 1.26 0.00 0.00 -1.00 0.00 0.00 55.73 56.12 3ncm s ARG 61 Cb -0.17 -4.01 0.00 0.00 0.00 0.00 0.00 34.95 30.78 3ncm s ARG 61 CO 0.13 -1.41 0.00 0.41 0.00 0.00 0.00 175.30 174.44 3ncm n GLY 62 N 4.80 2.90 3.76 8.12 0.00 0.21 -4.76 105.19 120.22 3ncm n GLY 62 Ca 0.17 -0.47 -0.24 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.82 -0.61 0.13 -1.09 0.87 119.36 114.00 3ncm n ILE 63 Ca 0.00 -0.08 -0.32 0.00 -1.10 0.00 0.00 62.75 61.24 3ncm n ILE 63 Cb 0.00 -3.21 0.14 0.00 -0.84 0.00 0.00 39.64 35.73 3ncm n ILE 63 CO 0.00 0.00 0.00 0.29 2.80 0.00 0.00 176.55 179.64 3ncm n LYS 64 N -2.76 -0.26 0.29 9.51 5.02 -1.26 -3.71 118.16 124.99 3ncm n LYS 64 Ca -0.28 -0.01 0.16 0.00 -2.02 0.00 0.00 58.31 56.16 3ncm n LYS 64 Cb 0.67 -2.23 0.90 0.00 -0.02 0.00 0.00 35.03 34.36 3ncm n LYS 64 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 3ncm h LYS 65 N -1.55 0.00 0.00 1.97 3.64 -1.93 -1.45 116.57 117.25 3ncm h LYS 65 Ca -0.44 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 3ncm h LYS 65 Cb 1.28 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 3ncm h LYS 65 CO 0.40 0.04 -0.25 0.00 -2.27 0.00 0.00 179.45 177.37 3ncm h THR 66 N 0.00 0.00 -0.50 1.00 1.03 -2.02 -3.27 112.91 109.15 3ncm h THR 66 Ca -0.00 -0.58 0.00 0.00 -0.01 0.00 0.00 66.41 65.82 3ncm h THR 66 Cb 0.15 1.43 0.00 0.00 -1.07 0.00 0.00 68.15 68.66 3ncm h THR 66 CO 0.01 0.00 0.00 0.47 -0.01 0.00 0.00 175.52 175.99 3ncm n ASP 67 N -2.36 2.76 -4.88 0.00 8.00 -0.55 -4.91 116.55 114.61 3ncm n ASP 67 Ca 0.04 -1.99 -0.36 0.00 0.71 0.00 0.00 54.79 53.20 3ncm n ASP 67 Cb 0.45 -0.33 -0.06 0.00 -0.02 0.00 0.00 41.12 41.17 3ncm n ASP 67 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 3ncm s GLU 68 N -1.33 3.54 0.00 -1.24 -1.05 -1.24 -4.92 118.70 112.46 3ncm s GLU 68 Ca 0.35 -0.09 0.00 0.00 -0.15 0.00 0.00 54.97 55.08 3ncm s GLU 68 Cb 0.18 -3.14 0.00 0.00 -0.44 0.00 0.00 34.13 30.73 3ncm s GLU 68 CO 0.24 0.71 0.00 0.41 0.95 0.00 0.00 175.26 177.57 3ncm n GLY 69 N 1.49 -1.22 2.73 -3.83 0.00 0.20 -4.94 105.19 99.62 3ncm n GLY 69 Ca -0.15 0.56 -0.19 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.35 0.07 2.61 2.01 -1.26 -0.23 115.64 118.49 3ncm s THR 70 Ca 0.00 -0.42 -0.26 0.00 0.31 0.00 0.00 61.69 61.32 3ncm s THR 70 Cb 0.00 -0.91 -0.06 0.00 0.01 0.00 0.00 72.50 71.55 3ncm s THR 70 CO 0.00 -0.43 0.80 -0.31 -0.69 0.00 0.00 174.62 173.99 3ncm s TYR 71 N 2.33 3.77 -0.31 4.92 1.51 0.16 -4.45 117.35 125.28 3ncm s TYR 71 Ca 0.09 1.55 -0.14 0.00 -1.01 0.00 0.00 57.07 57.55 3ncm s TYR 71 Cb -0.15 -2.85 -0.03 0.00 -0.11 0.00 0.00 41.96 38.83 3ncm s TYR 71 CO -0.28 0.29 0.32 0.50 -1.11 0.00 0.00 175.55 175.28 3ncm s ARG 72 N -0.19 3.77 0.07 -0.62 3.52 -0.78 0.01 118.95 124.72 3ncm s ARG 72 Ca 0.39 -0.28 -0.30 0.00 -0.13 0.00 0.00 55.73 55.42 3ncm s ARG 72 Cb -0.21 -3.73 -0.05 0.00 -1.56 0.00 0.00 34.95 29.40 3ncm s ARG 72 CO 0.24 -0.38 0.95 0.00 -0.81 0.00 0.00 175.30 175.31 3ncm s GLU 74 N 0.32 0.88 -0.12 0.00 2.02 -0.09 0.11 118.70 121.81 3ncm s GLU 74 Ca 0.48 -1.57 -0.29 0.00 0.02 0.00 0.00 54.97 53.60 3ncm s GLU 74 Cb -0.22 -1.82 -0.04 0.00 0.10 0.00 0.00 34.13 32.15 3ncm s GLU 74 CO 0.29 -1.16 1.56 0.20 0.02 0.00 0.00 175.26 176.16 3ncm s GLY 75 N 0.85 1.49 -0.01 -1.39 0.00 0.21 0.33 107.32 108.79 3ncm s GLY 75 Ca 0.17 0.72 0.03 0.00 0.00 0.00 0.00 44.72 45.64 3ncm s GLY 75 CO -0.03 2.91 -0.10 -1.60 0.00 0.00 0.00 173.10 174.28 3ncm s ARG 76 N 4.06 0.87 -0.04 2.90 3.52 0.17 -0.36 118.95 130.07 3ncm s ARG 76 Ca 0.69 -0.35 0.06 0.00 -0.13 0.00 0.00 55.73 56.00 3ncm s ARG 76 Cb -0.29 -0.83 -0.02 0.00 -1.56 0.00 0.00 34.95 32.25 3ncm s ARG 76 CO 0.26 0.19 -0.23 0.42 -0.81 0.00 0.00 175.30 175.13 3ncm s ILE 77 N -0.12 2.26 -0.15 4.11 1.01 -0.70 -2.53 121.20 125.08 3ncm s ILE 77 Ca 0.02 -1.01 -0.03 0.00 0.00 0.00 0.00 60.65 59.62 3ncm s ILE 77 Cb -0.05 -1.82 -0.24 0.00 0.01 0.00 0.00 42.46 40.36 3ncm s ILE 77 CO -0.00 0.58 0.23 0.18 0.00 0.00 0.00 174.94 175.92 3ncm n LEU 78 N 2.62 2.61 0.25 2.97 4.77 -1.26 -1.74 117.00 127.22 3ncm n LEU 78 Ca -0.17 0.13 -0.14 0.00 -0.03 0.00 0.00 56.01 55.80 3ncm n LEU 78 Cb 0.52 -0.99 -0.08 0.00 -2.33 0.00 0.00 43.42 40.54 3ncm n LEU 78 CO 0.24 0.85 0.53 0.00 -1.33 0.00 0.00 177.39 177.69 3ncm h ALA 79 N 0.11 -0.64 -1.62 -1.18 0.00 -1.99 -3.23 119.26 110.71 3ncm h ALA 79 Ca -0.46 -0.19 -0.77 0.00 0.00 0.00 0.00 54.91 53.49 3ncm h ALA 79 Cb 2.00 0.25 -0.30 0.00 0.00 0.00 0.00 17.79 19.74 3ncm h ALA 79 CO 0.04 -0.73 0.66 0.54 0.00 0.00 0.00 179.25 179.77 3ncm n ARG 80 N -5.27 4.74 0.00 0.00 1.74 -1.26 -4.98 116.66 111.63 3ncm n ARG 80 Ca -0.11 -4.66 0.00 0.00 -0.77 0.00 0.00 57.85 52.31 3ncm n ARG 80 Cb 0.31 -2.44 0.00 0.00 -1.02 0.00 0.00 32.46 29.31 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 0.35 0.00 3.56 -0.13 0.00 -1.21 -4.72 105.19 103.05 3ncm n GLY 81 Ca 0.38 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.09 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 2.31 -0.38 1.61 2.56 -0.71 -4.92 118.70 119.16 3ncm s GLU 82 Ca 0.00 -0.89 0.11 0.00 0.00 0.00 0.00 54.97 54.19 3ncm s GLU 82 Cb 0.00 -2.37 0.32 0.00 2.00 0.00 0.00 34.13 34.08 3ncm s GLU 82 CO 0.00 0.55 0.68 0.44 -0.56 0.00 0.00 175.26 176.37 3ncm n ILE 83 N 1.22 -0.33 -2.02 -3.70 -5.35 -1.26 -1.73 119.36 106.19 3ncm n ILE 83 Ca -0.15 -4.30 -0.31 0.00 -0.27 0.00 0.00 62.75 57.72 3ncm n ILE 83 Cb 0.52 -0.72 -0.00 0.00 -1.74 0.00 0.00 39.64 37.71 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 -2.01 6.25 0.18 7.28 -0.87 0.52 -4.87 114.94 121.42 3ncm s ASN 84 Ca 0.38 1.51 -0.09 0.00 -1.57 0.00 0.00 52.86 53.09 3ncm s ASN 84 Cb 0.29 -2.49 0.03 0.00 -0.02 0.00 0.00 41.25 39.07 3ncm s ASN 84 CO -0.09 -0.85 0.45 2.22 -2.57 0.00 0.00 177.10 176.26 3ncm n PHE 85 N -2.37 -1.52 -3.65 2.20 1.16 -1.26 0.64 117.46 112.67 3ncm n PHE 85 Ca 0.06 -0.89 -0.02 0.00 -1.87 0.00 0.00 57.45 54.73 3ncm n PHE 85 Cb 0.54 0.44 -0.01 0.00 -1.61 0.00 0.00 39.48 38.84 3ncm n PHE 85 CO 0.00 0.00 0.00 0.21 -1.87 0.00 0.00 176.76 175.10 3ncm s LYS 86 N -2.04 0.74 -0.31 3.97 2.47 0.12 -4.93 119.74 119.75 3ncm s LYS 86 Ca 0.09 -0.38 -0.01 0.00 -1.56 0.00 0.00 55.97 54.11 3ncm s LYS 86 Cb -0.02 0.27 0.06 0.00 -1.46 0.00 0.00 37.83 36.68 3ncm s LYS 86 CO 0.05 -0.34 0.02 0.16 0.16 0.00 0.00 175.35 175.40 3ncm s ASP 87 N -2.81 4.88 -0.34 1.43 -4.77 -1.26 -0.56 116.67 113.25 3ncm s ASP 87 Ca 0.12 -1.44 -0.16 0.00 -3.30 0.00 0.00 52.55 47.77 3ncm s ASP 87 Cb 0.01 -1.71 -0.01 0.00 -1.09 0.00 0.00 42.92 40.12 3ncm s ASP 87 CO -0.02 -0.30 0.40 -0.63 0.70 0.00 0.00 175.17 175.32 3ncm s ILE 88 N 1.20 5.13 -0.44 2.11 1.09 0.10 -4.82 121.20 125.57 3ncm s ILE 88 Ca -0.03 0.17 -0.26 0.00 -1.10 0.00 0.00 60.65 59.44 3ncm s ILE 88 Cb -0.20 -3.84 0.02 0.00 -1.06 0.00 0.00 42.46 37.38 3ncm s ILE 88 CO -0.02 -0.10 0.94 -1.58 -0.10 0.00 0.00 174.94 174.08 3ncm s GLN 89 N 2.11 3.61 -0.11 2.79 0.74 0.18 0.38 119.66 129.36 3ncm s GLN 89 Ca 0.14 0.27 -0.04 0.00 0.05 0.00 0.00 55.36 55.79 3ncm s GLN 89 Cb -0.16 -3.90 -0.03 0.00 1.10 0.00 0.00 33.01 30.02 3ncm s GLN 89 CO 0.12 -1.17 0.03 0.08 -0.55 0.00 0.00 175.29 173.80 3ncm s VAL 90 N 3.73 4.55 0.16 1.34 1.01 0.68 -0.05 120.40 131.81 3ncm s VAL 90 Ca 0.38 -0.15 0.07 0.00 0.00 0.00 0.00 61.98 62.27 3ncm s VAL 90 Cb -0.10 -2.95 -0.04 0.00 0.00 0.00 0.00 36.38 33.29 3ncm s VAL 90 CO 0.25 0.58 -0.14 -0.63 0.00 0.00 0.00 175.10 175.16 3ncm s ILE 91 N -0.67 1.50 0.00 2.22 1.01 -0.58 0.62 121.20 125.30 3ncm s ILE 91 Ca 0.11 -1.96 0.00 0.00 0.00 0.00 0.00 60.65 58.80 3ncm s ILE 91 Cb -0.12 -1.79 0.00 0.00 0.01 0.00 0.00 42.46 40.56 3ncm s ILE 91 CO 0.02 -0.51 0.00 0.55 0.00 0.00 0.00 174.94 175.00