#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 -0.22 -0.25 -3.48 1.01 -1.17 0.34 120.40 116.63 3ncm s VAL 2 Ca 0.00 -0.28 0.02 0.00 0.00 0.00 0.00 61.98 61.72 3ncm s VAL 2 Cb 0.00 -0.73 0.05 0.00 0.00 0.00 0.00 36.38 35.69 3ncm s VAL 2 CO 0.00 -0.35 -0.11 -0.04 0.00 0.00 0.00 175.10 174.60 3ncm s MET 3 N 2.24 2.47 -0.46 2.72 -1.94 -0.73 -4.87 119.30 118.73 3ncm s MET 3 Ca 0.06 -1.20 -0.28 0.00 -1.71 0.00 0.00 55.69 52.56 3ncm s MET 3 Cb -0.16 -2.86 -0.00 0.00 2.01 0.00 0.00 34.83 33.82 3ncm s MET 3 CO -0.18 -0.48 1.60 -0.06 -0.01 0.00 0.00 175.02 175.88 3ncm s PHE 4 N 1.17 2.08 0.42 -0.03 0.40 -1.26 -0.04 117.98 120.73 3ncm s PHE 4 Ca -0.05 0.63 0.06 0.00 -0.60 0.00 0.00 56.93 56.97 3ncm s PHE 4 Cb -0.18 -4.25 -0.07 0.00 0.51 0.00 0.00 43.02 39.04 3ncm s PHE 4 CO -0.06 -2.31 0.05 0.15 0.70 0.00 0.00 175.22 173.74 3ncm s LYS 5 N 5.63 2.04 -0.30 0.44 1.02 0.26 -4.88 119.74 123.95 3ncm s LYS 5 Ca 0.65 -2.09 -0.07 0.00 0.02 0.00 0.00 55.97 54.49 3ncm s LYS 5 Cb -0.15 -1.70 0.01 0.00 -0.52 0.00 0.00 37.83 35.47 3ncm s LYS 5 CO 0.29 -0.10 0.18 -1.71 -0.92 0.00 0.00 175.35 173.09 3ncm n ASN 6 N -1.06 -1.17 -3.23 2.83 5.15 -1.26 -1.29 115.26 115.23 3ncm n ASN 6 Ca -0.06 -0.33 -0.25 0.00 -0.60 0.00 0.00 54.58 53.34 3ncm n ASN 6 Cb 0.67 -0.43 -0.06 0.00 -0.53 0.00 0.00 39.78 39.42 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 -1.75 3.45 -1.83 5.20 0.00 -1.26 -2.41 120.51 121.91 3ncm n ALA 7 Ca -0.05 -4.19 -0.42 0.00 0.00 0.00 0.00 53.44 48.78 3ncm n ALA 7 Cb 0.16 -0.85 -0.03 0.00 0.00 0.00 0.00 19.45 18.74 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 -2.30 3.09 0.16 0.00 0.05 -1.26 -4.88 135.00 129.87 3ncm s PRO 8 Ca 0.40 1.57 -0.14 0.00 0.05 0.00 0.00 61.00 62.88 3ncm s PRO 8 Cb 0.21 -4.31 0.05 0.00 0.05 0.00 0.00 34.50 30.50 3ncm s PRO 8 CO -0.07 -2.14 1.75 1.79 0.05 0.00 0.00 177.00 178.37 3ncm h THR 9 N 7.01 1.19 -1.54 1.26 1.35 -1.90 -3.37 112.91 116.93 3ncm h THR 9 Ca -0.35 -0.54 -0.67 0.00 -0.55 0.00 0.00 66.41 64.30 3ncm h THR 9 Cb 1.20 0.58 -0.13 0.00 -1.73 0.00 0.00 68.15 68.07 3ncm h THR 9 CO 1.03 0.22 1.54 -2.16 -0.25 0.00 0.00 175.52 175.91 3ncm s PRO 10 N -5.73 3.82 0.47 4.72 0.05 -1.25 0.12 135.00 137.20 3ncm s PRO 10 Ca -0.13 -1.84 0.08 0.00 0.05 0.00 0.00 61.00 59.16 3ncm s PRO 10 Cb 0.12 -5.26 0.03 0.00 0.05 0.00 0.00 34.50 29.44 3ncm s PRO 10 CO 0.77 -2.04 0.63 1.14 0.05 0.00 0.00 177.00 177.55 3ncm s GLN 11 N 3.52 2.65 -0.27 4.56 -2.07 -0.20 -4.99 119.66 122.85 3ncm s GLN 11 Ca 0.45 -1.39 -0.09 0.00 -1.82 0.00 0.00 55.36 52.51 3ncm s GLN 11 Cb -0.00 -2.70 0.12 0.00 -1.09 0.00 0.00 33.01 29.34 3ncm s GLN 11 CO -0.02 -0.45 0.59 -1.83 -1.32 0.00 0.00 175.29 172.26 3ncm s GLU 12 N -4.43 0.52 0.00 9.60 -1.05 -1.26 -1.45 118.70 120.62 3ncm s GLU 12 Ca 0.56 1.34 0.00 0.00 -0.15 0.00 0.00 54.97 56.73 3ncm s GLU 12 Cb -0.08 0.71 0.00 0.00 -0.44 0.00 0.00 34.13 34.32 3ncm s GLU 12 CO 0.34 -0.21 0.00 1.19 0.95 0.00 0.00 175.26 177.53 3ncm n PHE 13 N 5.38 -0.52 -3.95 4.83 3.01 -0.49 -4.97 117.46 120.75 3ncm n PHE 13 Ca -0.12 0.00 -0.36 0.00 1.01 0.00 0.00 57.45 57.99 3ncm n PHE 13 Cb 0.50 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.89 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 -1.91 3.64 -0.05 -1.08 2.20 -1.26 -4.38 119.74 116.90 3ncm s LYS 14 Ca 0.00 -0.24 -0.29 0.00 -0.36 0.00 0.00 55.97 55.08 3ncm s LYS 14 Cb 0.00 -3.18 -0.07 0.00 -1.51 0.00 0.00 37.83 33.06 3ncm s LYS 14 CO 0.00 0.56 2.02 -2.00 -0.36 0.00 0.00 175.35 175.57 3ncm s GLU 15 N -0.42 3.83 0.00 4.03 2.12 -1.15 -1.53 118.70 125.58 3ncm s GLU 15 Ca 0.11 2.39 0.00 0.00 0.36 0.00 0.00 54.97 57.83 3ncm s GLU 15 Cb -0.12 -4.22 0.00 0.00 0.26 0.00 0.00 34.13 30.06 3ncm s GLU 15 CO 0.02 -1.31 0.00 0.41 -0.54 0.00 0.00 175.26 173.84 3ncm n GLY 16 N 4.90 0.91 3.60 -1.50 0.00 0.25 -5.02 105.19 108.34 3ncm n GLY 16 Ca 0.23 -0.42 -0.25 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.21 1.99 -0.77 1.61 2.12 0.82 -4.66 118.70 118.60 3ncm s GLU 17 Ca 0.00 -1.80 -0.26 0.00 0.36 0.00 0.00 54.97 53.28 3ncm s GLU 17 Cb 0.00 -1.86 0.04 0.00 0.26 0.00 0.00 34.13 32.57 3ncm s GLU 17 CO 0.00 0.15 1.27 -0.51 -0.54 0.00 0.00 175.26 175.63 3ncm s ASP 18 N -3.68 6.22 0.37 -1.70 1.11 -1.26 0.69 116.67 118.42 3ncm s ASP 18 Ca 0.34 -0.68 0.07 0.00 0.18 0.00 0.00 52.55 52.46 3ncm s ASP 18 Cb 0.00 -2.54 -0.00 0.00 1.07 0.00 0.00 42.92 41.45 3ncm s ASP 18 CO 0.18 -1.74 0.51 0.00 1.18 0.00 0.00 175.17 175.31 3ncm s ALA 19 N 5.39 4.36 -0.01 5.23 0.00 0.10 -4.88 121.76 131.94 3ncm s ALA 19 Ca 0.35 -1.55 -0.01 0.00 0.00 0.00 0.00 51.96 50.75 3ncm s ALA 19 Cb -0.08 -1.65 0.00 0.00 0.00 0.00 0.00 23.12 21.40 3ncm s ALA 19 CO 0.11 -0.13 0.02 0.08 0.00 0.00 0.00 175.76 175.83 3ncm s VAL 20 N -2.25 -0.00 -0.32 0.00 1.01 -1.26 0.28 120.40 117.86 3ncm s VAL 20 Ca 0.49 0.00 -0.16 0.00 0.00 0.00 0.00 61.98 62.31 3ncm s VAL 20 Cb -0.10 -0.04 -0.02 0.00 0.00 0.00 0.00 36.38 36.23 3ncm s VAL 20 CO 0.32 0.00 0.43 -0.63 0.00 0.00 0.00 175.10 175.22 3ncm s ILE 21 N 0.01 5.11 -0.29 2.22 1.01 -0.16 -4.85 121.20 124.25 3ncm s ILE 21 Ca -0.00 0.35 -0.29 0.00 0.00 0.00 0.00 60.65 60.71 3ncm s ILE 21 Cb -0.00 -3.84 0.01 0.00 0.01 0.00 0.00 42.46 38.64 3ncm s ILE 21 CO 0.00 -0.06 1.13 -0.69 0.00 0.00 0.00 174.94 175.32 3ncm s VAL 22 N 2.19 4.45 -0.34 2.92 1.01 -1.26 -2.32 120.40 127.05 3ncm s VAL 22 Ca 0.16 1.69 0.05 0.00 0.00 0.00 0.00 61.98 63.87 3ncm s VAL 22 Cb -0.16 -4.32 0.17 0.00 0.00 0.00 0.00 36.38 32.07 3ncm s VAL 22 CO 0.12 -0.41 0.49 0.00 0.00 0.00 0.00 175.10 175.30 3ncm s ASP 24 N 2.13 6.97 -0.14 0.00 1.01 -0.41 -4.46 116.67 121.78 3ncm s ASP 24 Ca 0.13 1.15 -0.05 0.00 0.71 0.00 0.00 52.55 54.49 3ncm s ASP 24 Cb -0.10 -2.34 0.06 0.00 1.01 0.00 0.00 42.92 41.55 3ncm s ASP 24 CO -0.17 0.21 0.29 -0.69 0.21 0.00 0.00 175.17 175.02 3ncm s VAL 25 N -0.71 -0.36 -1.21 -1.27 1.01 -1.26 0.93 120.40 117.52 3ncm s VAL 25 Ca 0.28 0.23 -0.16 0.00 0.00 0.00 0.00 61.98 62.33 3ncm s VAL 25 Cb -0.18 -0.47 0.12 0.00 0.00 0.00 0.00 36.38 35.84 3ncm s VAL 25 CO 0.17 0.10 1.53 -0.69 0.00 0.00 0.00 175.10 176.21 3ncm s VAL 26 N 2.19 4.57 0.39 2.92 1.01 0.95 -4.81 120.40 127.63 3ncm s VAL 26 Ca -0.02 -2.14 -0.09 0.00 0.00 0.00 0.00 61.98 59.73 3ncm s VAL 26 Cb -0.12 -5.03 -0.06 0.00 0.00 0.00 0.00 36.38 31.18 3ncm s VAL 26 CO -0.09 -1.80 0.73 -0.44 0.00 0.00 0.00 175.10 173.50 3ncm s SER 27 N 3.59 6.49 0.00 3.32 0.01 -1.25 -1.78 113.70 124.08 3ncm s SER 27 Ca 0.47 1.04 0.00 0.00 1.31 0.00 0.00 55.95 58.77 3ncm s SER 27 Cb -0.00 -2.28 0.00 0.00 0.21 0.00 0.00 66.02 63.95 3ncm s SER 27 CO 0.02 -0.38 0.30 -0.24 0.41 0.00 0.00 173.24 173.35 3ncm n SER 28 N -1.31 0.00 0.13 2.44 2.88 0.15 -4.75 113.62 113.15 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 -0.52 -2.28 0.21 2.46 4.77 -1.26 -4.87 117.00 115.52 3ncm n LEU 29 Ca 0.00 0.62 -0.15 0.00 -0.03 0.00 0.00 56.01 56.45 3ncm n LEU 29 Cb 0.00 2.31 -0.08 0.00 -2.33 0.00 0.00 43.42 43.32 3ncm n LEU 29 CO 0.00 0.10 0.74 1.55 -1.33 0.00 0.00 177.39 178.45 3ncm h PRO 30 N 0.00 -0.49 0.00 3.23 0.14 -2.00 -3.44 132.00 129.44 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 -5.32 -1.29 -0.85 1.56 -0.05 -1.26 -5.09 135.00 122.70 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 0.23 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 -2.57 0.00 -3.89 0.52 -1.04 -0.96 -4.95 114.28 101.40 3ncm n THR 32 Ca 0.00 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.71 3ncm n THR 32 Cb 0.00 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.47 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 -2.40 5.35 -0.24 12.58 2.07 -1.26 -0.59 121.20 136.70 3ncm s ILE 33 Ca 0.00 -0.38 -0.01 0.00 -1.41 0.00 0.00 60.65 58.85 3ncm s ILE 33 Cb 0.00 -3.65 0.03 0.00 0.13 0.00 0.00 42.46 38.97 3ncm s ILE 33 CO 0.00 0.09 -0.07 -0.63 -1.91 0.00 0.00 174.94 172.42 3ncm s ILE 34 N -1.57 2.82 -0.60 2.00 1.01 0.16 -4.89 121.20 120.13 3ncm s ILE 34 Ca 0.36 -1.03 -0.27 0.00 0.00 0.00 0.00 60.65 59.71 3ncm s ILE 34 Cb -0.13 -2.42 0.03 0.00 0.01 0.00 0.00 42.46 39.96 3ncm s ILE 34 CO 0.28 0.22 1.16 0.26 0.00 0.00 0.00 174.94 176.86 3ncm s TRP 35 N 1.32 2.58 0.30 3.97 0.52 -1.26 -1.67 118.94 124.70 3ncm s TRP 35 Ca 0.00 0.25 0.03 0.00 0.02 0.00 0.00 56.10 56.40 3ncm s TRP 35 Cb -0.16 -4.46 0.03 0.00 -1.15 0.00 0.00 33.47 27.72 3ncm s TRP 35 CO -0.05 -1.63 0.24 1.17 0.02 0.00 0.00 176.95 176.70 3ncm n LYS 36 N 8.42 1.03 -1.37 4.98 4.81 -0.69 -2.27 118.16 133.07 3ncm n LYS 36 Ca 0.06 -1.87 0.05 0.00 -0.87 0.00 0.00 58.31 55.69 3ncm n LYS 36 Cb 0.49 0.18 -0.03 0.00 0.02 0.00 0.00 35.03 35.69 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 -1.24 -3.72 -2.42 5.64 -0.00 -1.26 -1.64 115.22 110.59 3ncm n HIS 37 Ca -0.01 2.03 -0.13 0.00 0.46 0.00 0.00 57.72 60.07 3ncm n HIS 37 Cb 0.34 -3.24 -0.01 0.00 -0.12 0.00 0.00 29.99 26.97 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 -3.01 -2.17 0.00 1.57 3.00 -1.26 -3.62 118.16 112.67 3ncm n LYS 38 Ca -0.03 0.63 0.00 0.00 -0.00 0.00 0.00 58.31 58.91 3ncm n LYS 38 Cb 0.49 -5.23 0.00 0.00 0.00 0.00 0.00 35.03 30.29 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 -0.81 0.40 2.63 3.14 0.00 -1.26 -5.01 105.19 104.27 3ncm n GLY 39 Ca -0.15 0.00 -0.04 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 -4.20 -3.22 1.61 3.00 -1.24 -4.55 116.66 108.06 3ncm n ARG 40 Ca 0.00 3.17 -0.07 0.00 -0.01 0.00 0.00 57.85 60.94 3ncm n ARG 40 Cb 0.00 -4.42 0.00 0.00 0.00 0.00 0.00 32.46 28.04 3ncm n ARG 40 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 3ncm n ASP 41 N 1.86 -7.10 -0.11 0.55 9.92 -1.21 -4.89 116.55 115.57 3ncm n ASP 41 Ca -0.33 -0.23 -0.05 0.00 -0.53 0.00 0.00 54.79 53.65 3ncm n ASP 41 Cb 0.51 -4.42 0.14 0.00 -0.64 0.00 0.00 41.12 36.71 3ncm n ASP 41 CO 0.00 0.00 0.00 -0.37 0.13 0.00 0.00 177.20 176.96 3ncm h VAL 42 N 0.44 1.25 0.00 2.53 -1.51 -1.69 -2.46 116.25 114.80 3ncm h VAL 42 Ca -0.16 -1.08 0.00 0.00 -1.23 0.00 0.00 66.70 64.23 3ncm h VAL 42 Cb 1.10 0.94 0.00 0.00 -2.13 0.00 0.00 31.29 31.20 3ncm h VAL 42 CO 0.31 0.38 0.00 0.40 -1.23 0.00 0.00 177.57 177.42 3ncm h ILE 43 N 0.74 0.00 0.00 7.19 2.04 -1.91 0.21 117.51 125.78 3ncm h ILE 43 Ca 0.14 -0.03 -0.08 0.00 1.00 0.00 0.00 64.86 65.89 3ncm h ILE 43 Cb 0.51 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 3ncm h ILE 43 CO 0.03 0.00 -1.27 0.18 0.00 0.00 0.00 178.15 177.09 3ncm n LEU 44 N -2.83 0.78 -0.11 1.44 4.32 -0.93 -4.32 117.00 115.35 3ncm n LEU 44 Ca -0.02 0.32 -0.16 0.00 -0.02 0.00 0.00 56.01 56.13 3ncm n LEU 44 Cb 0.07 0.01 -0.13 0.00 -1.62 0.00 0.00 43.42 41.75 3ncm n LEU 44 CO 0.17 -0.03 -1.24 2.29 -1.22 0.00 0.00 177.39 177.37 3ncm n LYS 45 N -2.74 0.67 -3.83 3.23 2.85 -0.64 -5.02 118.16 112.68 3ncm n LYS 45 Ca -0.05 0.11 -0.29 0.00 -1.05 0.00 0.00 58.31 57.04 3ncm n LYS 45 Cb 0.68 -1.54 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 -3.12 -2.34 -0.60 -1.58 4.76 0.66 -4.93 118.16 111.00 3ncm n LYS 46 Ca -0.41 0.42 -0.29 0.00 -2.87 0.00 0.00 58.31 55.16 3ncm n LYS 46 Cb 1.04 -4.29 0.18 0.00 -1.84 0.00 0.00 35.03 30.13 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 -2.81 -2.57 0.31 4.39 9.92 -1.26 -4.81 116.55 119.70 3ncm n ASP 47 Ca -0.21 -0.23 0.21 0.00 -0.53 0.00 0.00 54.79 54.02 3ncm n ASP 47 Cb 0.64 -0.94 1.07 0.00 -0.64 0.00 0.00 41.12 41.26 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 -2.33 0.00 -1.28 2.53 -1.51 -2.00 -3.06 116.25 108.59 3ncm h VAL 48 Ca -0.48 -0.06 -0.56 0.00 -1.23 0.00 0.00 66.70 64.37 3ncm h VAL 48 Cb 1.25 0.98 -0.42 0.00 -2.13 0.00 0.00 31.29 30.97 3ncm h VAL 48 CO 0.34 0.00 -0.79 -2.11 -1.23 0.00 0.00 177.57 173.78 3ncm n ARG 49 N -2.95 3.28 -3.49 5.19 1.85 -1.26 -4.87 116.66 114.41 3ncm n ARG 49 Ca -0.02 -4.32 -0.19 0.00 -1.00 0.00 0.00 57.85 52.31 3ncm n ARG 49 Cb 0.09 -2.18 -0.13 0.00 -1.05 0.00 0.00 32.46 29.20 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 -3.53 -0.26 -0.30 2.89 0.40 -1.16 -1.50 117.98 114.52 3ncm s PHE 50 Ca 0.47 0.12 0.00 0.00 -0.60 0.00 0.00 56.93 56.92 3ncm s PHE 50 Cb 0.40 -0.40 0.09 0.00 0.51 0.00 0.00 43.02 43.62 3ncm s PHE 50 CO -0.12 -0.65 0.07 0.42 0.70 0.00 0.00 175.22 175.64 3ncm s ILE 51 N 2.32 1.19 0.02 0.64 1.01 -0.63 -4.66 121.20 121.10 3ncm s ILE 51 Ca 0.07 -1.49 -0.30 0.00 0.00 0.00 0.00 60.65 58.93 3ncm s ILE 51 Cb -0.16 -1.83 -0.05 0.00 0.01 0.00 0.00 42.46 40.44 3ncm s ILE 51 CO -0.15 -0.56 1.23 -0.69 0.00 0.00 0.00 174.94 174.77 3ncm s VAL 52 N 1.47 4.02 0.67 2.92 1.01 -1.26 -1.61 120.40 127.62 3ncm s VAL 52 Ca 0.07 1.42 -0.09 0.00 0.00 0.00 0.00 61.98 63.38 3ncm s VAL 52 Cb -0.18 -3.91 0.02 0.00 0.00 0.00 0.00 36.38 32.31 3ncm s VAL 52 CO -0.18 0.07 1.03 -0.76 0.00 0.00 0.00 175.10 175.25 3ncm s LEU 53 N 1.54 2.98 0.66 3.92 1.43 -0.53 -4.91 118.68 123.77 3ncm s LEU 53 Ca 0.59 0.91 0.42 0.00 -1.03 0.00 0.00 54.13 55.02 3ncm s LEU 53 Cb -0.29 -3.68 2.34 0.00 0.03 0.00 0.00 46.19 44.60 3ncm s LEU 53 CO 0.27 -1.31 2.36 0.77 0.23 0.00 0.00 176.35 178.67 3ncm h SER 54 N -0.52 0.00 -0.39 2.29 4.64 -1.95 -1.45 113.55 116.17 3ncm h SER 54 Ca -0.45 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.83 3ncm h SER 54 Cb 1.26 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.33 3ncm h SER 54 CO 0.63 0.00 0.05 -0.46 -0.87 0.00 0.00 176.83 176.18 3ncm n ASN 55 N -3.20 3.91 -2.14 4.97 6.94 -1.26 -4.90 115.26 119.58 3ncm n ASN 55 Ca -0.03 -2.63 -0.16 0.00 -0.02 0.00 0.00 54.58 51.73 3ncm n ASN 55 Cb 0.07 -0.63 0.02 0.00 -2.36 0.00 0.00 39.78 36.88 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 0.28 -4.88 -4.94 0.53 4.13 -0.55 -4.61 115.26 105.21 3ncm n ASN 56 Ca 0.20 -0.15 -0.20 0.00 1.68 0.00 0.00 54.58 56.11 3ncm n ASN 56 Cb 0.89 -3.83 -0.02 0.00 -1.54 0.00 0.00 39.78 35.29 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 -2.94 3.06 -0.39 3.10 1.51 -1.25 -4.47 117.35 115.97 3ncm s TYR 57 Ca 0.15 -0.23 0.04 0.00 -1.01 0.00 0.00 57.07 56.02 3ncm s TYR 57 Cb -0.07 -1.89 0.11 0.00 -0.11 0.00 0.00 41.96 40.00 3ncm s TYR 57 CO 0.19 0.09 0.11 -1.17 -1.11 0.00 0.00 175.55 173.66 3ncm s LEU 58 N -4.10 4.51 -0.80 -1.29 2.96 -0.98 -1.45 118.68 117.53 3ncm s LEU 58 Ca 0.43 -2.39 -0.26 0.00 -0.22 0.00 0.00 54.13 51.70 3ncm s LEU 58 Cb -0.08 -1.59 0.01 0.00 0.50 0.00 0.00 46.19 45.02 3ncm s LEU 58 CO 0.29 -0.34 1.57 -1.10 -1.32 0.00 0.00 176.35 175.46 3ncm s GLN 59 N 0.59 3.04 -0.31 1.98 -0.21 -0.64 -0.99 119.66 123.13 3ncm s GLN 59 Ca 0.13 -0.25 -0.23 0.00 0.02 0.00 0.00 55.36 55.02 3ncm s GLN 59 Cb -0.21 -4.66 0.00 0.00 1.00 0.00 0.00 33.01 29.14 3ncm s GLN 59 CO -0.06 -2.51 0.78 0.42 -2.12 0.00 0.00 175.29 171.79 3ncm s ILE 60 N 7.09 4.80 -0.41 1.08 1.01 0.14 -1.60 121.20 133.30 3ncm s ILE 60 Ca 0.51 1.14 -0.29 0.00 0.00 0.00 0.00 60.65 62.01 3ncm s ILE 60 Cb -0.07 -4.14 0.02 0.00 0.01 0.00 0.00 42.46 38.28 3ncm s ILE 60 CO 0.08 -0.25 1.21 -0.60 0.00 0.00 0.00 174.94 175.38 3ncm s ARG 61 N 2.94 3.77 0.00 2.79 3.00 -0.56 -0.73 118.95 130.16 3ncm s ARG 61 Ca 0.32 0.82 0.00 0.00 -1.00 0.00 0.00 55.73 55.87 3ncm s ARG 61 Cb -0.14 -3.90 0.00 0.00 0.00 0.00 0.00 34.95 30.90 3ncm s ARG 61 CO 0.13 -1.32 0.00 0.41 0.00 0.00 0.00 175.30 174.52 3ncm n GLY 62 N 4.68 3.06 3.78 8.12 0.00 0.22 -4.74 105.19 120.31 3ncm n GLY 62 Ca 0.13 -0.50 -0.25 0.00 0.00 0.00 0.00 46.02 45.41 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 -3.52 -0.93 -0.61 0.13 -1.09 0.87 119.36 114.22 3ncm n ILE 63 Ca 0.00 -0.04 -0.33 0.00 -1.10 0.00 0.00 62.75 61.28 3ncm n ILE 63 Cb 0.00 -3.03 0.13 0.00 -0.84 0.00 0.00 39.64 35.90 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 -2.69 -0.10 0.31 9.51 5.02 -1.26 -3.67 118.16 125.27 3ncm n LYS 64 Ca -0.31 0.04 0.18 0.00 -2.02 0.00 0.00 58.31 56.21 3ncm n LYS 64 Cb 0.69 -2.26 1.01 0.00 -0.02 0.00 0.00 35.03 34.45 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 -1.29 0.00 0.00 1.97 3.64 -1.90 -1.19 116.57 117.79 3ncm h LYS 65 Ca -0.45 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 3ncm h LYS 65 Cb 1.29 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 3ncm h LYS 65 CO 0.42 0.02 -0.34 1.79 -2.27 0.00 0.00 179.45 179.07 3ncm h THR 66 N 0.00 0.00 -0.29 1.00 1.35 -2.00 -3.27 112.91 109.70 3ncm h THR 66 Ca -0.00 -1.00 0.00 0.00 -0.55 0.00 0.00 66.41 64.86 3ncm h THR 66 Cb 0.09 1.83 0.00 0.00 -1.73 0.00 0.00 68.15 68.34 3ncm h THR 66 CO 0.00 0.00 0.00 0.47 -0.25 0.00 0.00 175.52 175.74 3ncm n ASP 67 N -2.95 1.84 -4.86 5.36 9.92 -0.45 -4.88 116.55 120.52 3ncm n ASP 67 Ca 0.03 -1.88 -0.37 0.00 -0.53 0.00 0.00 54.79 52.04 3ncm n ASP 67 Cb 0.54 -0.19 -0.06 0.00 -0.64 0.00 0.00 41.12 40.77 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 -1.62 3.66 0.00 -1.24 -1.05 -1.23 -4.91 118.70 112.30 3ncm s GLU 68 Ca 0.28 0.09 0.00 0.00 -0.15 0.00 0.00 54.97 55.19 3ncm s GLU 68 Cb 0.15 -3.17 0.00 0.00 -0.44 0.00 0.00 34.13 30.67 3ncm s GLU 68 CO 0.20 0.71 0.00 0.41 0.95 0.00 0.00 175.26 177.54 3ncm n GLY 69 N 1.70 -1.13 2.69 -3.83 0.00 0.18 -4.94 105.19 99.86 3ncm n GLY 69 Ca -0.16 0.57 -0.21 0.00 0.00 0.00 0.00 46.02 46.22 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 -0.27 0.04 2.61 2.01 -1.26 -0.16 115.64 118.62 3ncm s THR 70 Ca 0.00 -0.43 -0.25 0.00 0.31 0.00 0.00 61.69 61.32 3ncm s THR 70 Cb 0.00 -0.87 -0.05 0.00 0.01 0.00 0.00 72.50 71.59 3ncm s THR 70 CO 0.00 -0.45 0.77 -0.31 -0.69 0.00 0.00 174.62 173.94 3ncm s TYR 71 N 2.26 3.73 -0.27 4.92 1.51 0.95 -4.51 117.35 125.95 3ncm s TYR 71 Ca 0.08 1.48 -0.19 0.00 -1.01 0.00 0.00 57.07 57.44 3ncm s TYR 71 Cb -0.15 -2.83 -0.02 0.00 -0.11 0.00 0.00 41.96 38.85 3ncm s TYR 71 CO -0.26 0.26 0.55 0.50 -1.11 0.00 0.00 175.55 175.49 3ncm s ARG 72 N -0.03 4.04 -0.94 -0.62 6.06 -0.65 0.44 118.95 127.26 3ncm s ARG 72 Ca 0.39 0.35 -0.20 0.00 -2.50 0.00 0.00 55.73 53.77 3ncm s ARG 72 Cb -0.21 -3.67 0.12 0.00 0.06 0.00 0.00 34.95 31.25 3ncm s ARG 72 CO 0.23 -0.40 1.18 0.00 -2.50 0.00 0.00 175.30 173.81 3ncm s GLU 74 N 3.11 3.67 -0.90 0.00 2.02 -0.67 -0.31 118.70 125.63 3ncm s GLU 74 Ca 0.35 -2.01 -0.24 0.00 0.02 0.00 0.00 54.97 53.08 3ncm s GLU 74 Cb -0.04 -4.84 -0.02 0.00 0.10 0.00 0.00 34.13 29.33 3ncm s GLU 74 CO -0.09 -1.68 1.80 0.20 0.02 0.00 0.00 175.26 175.51 3ncm s GLY 75 N 3.23 0.46 -0.23 -1.39 0.00 0.28 0.37 107.32 110.05 3ncm s GLY 75 Ca 0.31 -1.60 -0.12 0.00 0.00 0.00 0.00 44.72 43.31 3ncm s GLY 75 CO -0.08 3.26 0.24 -1.60 0.00 0.00 0.00 173.10 174.92 3ncm s ARG 76 N 6.49 4.11 -0.36 2.90 3.52 0.24 -0.19 118.95 135.66 3ncm s ARG 76 Ca 0.63 -0.11 0.01 0.00 -0.13 0.00 0.00 55.73 56.13 3ncm s ARG 76 Cb -0.06 -3.54 0.14 0.00 -1.56 0.00 0.00 34.95 29.94 3ncm s ARG 76 CO -0.00 0.03 0.25 0.42 -0.81 0.00 0.00 175.30 175.19 3ncm s ILE 77 N 1.13 0.01 -0.34 4.11 1.09 0.25 -2.26 121.20 125.19 3ncm s ILE 77 Ca 0.11 -1.51 0.12 0.00 -1.10 0.00 0.00 60.65 58.27 3ncm s ILE 77 Cb -0.14 -1.00 0.72 0.00 -1.06 0.00 0.00 42.46 40.98 3ncm s ILE 77 CO 0.05 -0.89 1.60 0.18 -0.10 0.00 0.00 174.94 175.79 3ncm n LEU 78 N 4.11 5.21 -0.02 2.97 4.77 -1.25 0.67 117.00 133.45 3ncm n LEU 78 Ca 0.12 -2.65 0.03 0.00 -0.03 0.00 0.00 56.01 53.47 3ncm n LEU 78 Cb 0.39 -0.67 -0.08 0.00 -2.33 0.00 0.00 43.42 40.73 3ncm n LEU 78 CO 0.13 0.60 -0.67 0.00 -1.33 0.00 0.00 177.39 176.11 3ncm n ALA 79 N 0.49 2.22 0.06 -1.18 0.00 -1.26 -4.91 120.51 115.94 3ncm n ALA 79 Ca 0.26 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3ncm n ALA 79 Cb 1.10 -0.25 0.00 0.00 0.00 0.00 0.00 19.45 20.31 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 -1.98 0.00 0.00 0.00 5.12 -1.26 -5.06 116.66 113.49 3ncm n ARG 80 Ca -0.05 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.87 3ncm n ARG 80 Cb 0.40 -0.25 0.00 0.00 -1.16 0.00 0.00 32.46 31.46 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 2.80 -0.32 0.00 -0.13 0.00 -1.23 -5.01 105.19 101.29 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 -1.26 -0.20 -3.54 1.61 0.28 0.21 -4.89 120.64 112.84 3ncm n GLU 82 Ca 0.00 0.00 -0.40 0.00 -0.16 0.00 0.00 57.16 56.60 3ncm n GLU 82 Cb 0.00 0.00 -0.11 0.00 1.43 0.00 0.00 31.44 32.76 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 0.27 3.84 -5.25 -1.26 -0.58 121.20 120.52 3ncm s ILE 83 Ca 0.00 -0.11 0.11 0.00 -0.99 0.00 0.00 60.65 59.66 3ncm s ILE 83 Cb 0.00 -3.67 -0.05 0.00 2.95 0.00 0.00 42.46 41.70 3ncm s ILE 83 CO 0.00 0.06 -0.13 0.20 -1.79 0.00 0.00 174.94 173.28 3ncm s ASN 84 N 1.73 3.92 0.34 4.36 0.01 0.74 -4.95 114.94 121.08 3ncm s ASN 84 Ca 0.06 -0.89 -0.14 0.00 -0.71 0.00 0.00 52.86 51.18 3ncm s ASN 84 Cb -0.17 -0.49 0.03 0.00 0.41 0.00 0.00 41.25 41.03 3ncm s ASN 84 CO 0.11 0.03 0.69 0.72 -1.51 0.00 0.00 177.10 177.13 3ncm s PHE 85 N -2.40 0.24 0.17 2.20 -0.12 -1.26 0.98 117.98 117.79 3ncm s PHE 85 Ca 0.30 -0.76 -0.24 0.00 -0.05 0.00 0.00 56.93 56.18 3ncm s PHE 85 Cb -0.06 0.58 0.06 0.00 -0.63 0.00 0.00 43.02 42.97 3ncm s PHE 85 CO 0.16 -1.36 0.91 0.21 -0.05 0.00 0.00 175.22 175.09 3ncm s LYS 86 N -2.99 1.31 -0.08 1.99 2.20 0.57 -4.88 119.74 117.86 3ncm s LYS 86 Ca 0.18 -0.72 0.03 0.00 -0.36 0.00 0.00 55.97 55.11 3ncm s LYS 86 Cb -0.04 0.45 -0.01 0.00 -1.51 0.00 0.00 37.83 36.71 3ncm s LYS 86 CO 0.12 -0.60 -0.19 0.16 -0.36 0.00 0.00 175.35 174.48 3ncm s ASP 87 N -2.93 3.60 -0.29 1.43 -4.77 -1.26 0.67 116.67 113.12 3ncm s ASP 87 Ca 0.12 -0.38 0.01 0.00 -3.30 0.00 0.00 52.55 48.99 3ncm s ASP 87 Cb -0.02 -1.13 0.06 0.00 -1.09 0.00 0.00 42.92 40.74 3ncm s ASP 87 CO 0.03 0.24 -0.05 -0.63 0.70 0.00 0.00 175.17 175.46 3ncm s ILE 88 N -0.11 2.57 -0.69 2.11 -1.09 0.17 -4.64 121.20 119.52 3ncm s ILE 88 Ca -0.03 -1.57 -0.27 0.00 -2.23 0.00 0.00 60.65 56.54 3ncm s ILE 88 Cb -0.14 -2.52 0.02 0.00 -1.58 0.00 0.00 42.46 38.24 3ncm s ILE 88 CO 0.04 -0.11 1.44 -1.58 -1.23 0.00 0.00 174.94 173.50 3ncm s GLN 89 N 1.16 3.05 -0.09 2.79 0.74 0.33 -0.03 119.66 127.62 3ncm s GLN 89 Ca -0.06 0.03 -0.12 0.00 0.05 0.00 0.00 55.36 55.26 3ncm s GLN 89 Cb -0.20 -4.23 -0.05 0.00 1.10 0.00 0.00 33.01 29.63 3ncm s GLN 89 CO -0.03 -2.28 0.29 0.08 -0.55 0.00 0.00 175.29 172.79 3ncm s VAL 90 N 6.63 5.26 0.21 1.34 1.01 0.77 -1.03 120.40 134.58 3ncm s VAL 90 Ca 0.45 0.55 0.08 0.00 0.00 0.00 0.00 61.98 63.06 3ncm s VAL 90 Cb -0.09 -3.59 -0.05 0.00 0.00 0.00 0.00 36.38 32.65 3ncm s VAL 90 CO 0.17 0.53 -0.16 -0.63 0.00 0.00 0.00 175.10 175.02 3ncm s ILE 91 N -0.60 1.84 0.00 2.22 1.01 -0.53 0.49 121.20 125.64 3ncm s ILE 91 Ca 0.19 -2.18 0.00 0.00 0.00 0.00 0.00 60.65 58.66 3ncm s ILE 91 Cb -0.14 -2.03 0.00 0.00 0.01 0.00 0.00 42.46 40.30 3ncm s ILE 91 CO 0.08 -0.52 0.00 0.55 0.00 0.00 0.00 174.94 175.04