#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 -0.43 -0.30 2.97 1.01 -0.82 0.62 120.40 123.44 3ncm s VAL 2 Ca 0.00 -1.69 -0.07 0.00 0.00 0.00 0.00 61.98 60.22 3ncm s VAL 2 Cb 0.00 -0.53 0.01 0.00 0.00 0.00 0.00 36.38 35.86 3ncm s VAL 2 CO 0.00 -0.53 0.10 -0.04 0.00 0.00 0.00 175.10 174.63 3ncm s MET 3 N 0.54 3.12 -0.09 2.72 -1.94 -0.76 -4.85 119.30 118.03 3ncm s MET 3 Ca 0.31 -0.85 -0.29 0.00 -1.71 0.00 0.00 55.69 53.15 3ncm s MET 3 Cb 0.02 -3.42 -0.05 0.00 2.01 0.00 0.00 34.83 33.39 3ncm s MET 3 CO -0.11 -0.45 1.60 -0.06 -0.01 0.00 0.00 175.02 175.98 3ncm s PHE 4 N 1.52 2.11 0.19 -0.03 0.40 -1.26 0.67 117.98 121.58 3ncm s PHE 4 Ca 0.03 0.36 0.05 0.00 -0.60 0.00 0.00 56.93 56.77 3ncm s PHE 4 Cb -0.17 -3.87 -0.05 0.00 0.51 0.00 0.00 43.02 39.44 3ncm s PHE 4 CO 0.03 -3.42 -0.09 -1.59 0.70 0.00 0.00 175.22 170.85 3ncm s LYS 5 N 4.07 1.24 -0.97 0.44 -2.85 0.16 -4.88 119.74 116.95 3ncm s LYS 5 Ca 0.71 -1.57 -0.03 0.00 -1.00 0.00 0.00 55.97 54.08 3ncm s LYS 5 Cb -0.30 -0.82 0.00 0.00 -2.06 0.00 0.00 37.83 34.65 3ncm s LYS 5 CO 0.27 0.07 0.06 -1.71 0.10 0.00 0.00 175.35 174.15 3ncm n ASN 6 N -0.33 0.17 -3.98 0.03 5.15 -1.26 -0.92 115.26 114.11 3ncm n ASN 6 Ca -0.08 -0.83 -0.31 0.00 -0.60 0.00 0.00 54.58 52.76 3ncm n ASN 6 Cb 0.61 -1.02 -0.10 0.00 -0.53 0.00 0.00 39.78 38.74 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 -3.92 3.89 -0.36 5.20 0.00 -1.26 -3.19 121.76 122.12 3ncm s ALA 7 Ca 0.04 -3.75 -0.28 0.00 0.00 0.00 0.00 51.96 47.98 3ncm s ALA 7 Cb -0.02 -2.40 -0.03 0.00 0.00 0.00 0.00 23.12 20.66 3ncm s ALA 7 CO 0.64 -2.11 1.98 -1.25 0.00 0.00 0.00 175.76 175.02 3ncm s PRO 8 N -1.22 3.04 0.01 0.00 0.05 -1.25 -4.92 135.00 130.71 3ncm s PRO 8 Ca 0.24 1.45 -0.08 0.00 0.05 0.00 0.00 61.00 62.66 3ncm s PRO 8 Cb -0.08 -4.31 -0.04 0.00 0.05 0.00 0.00 34.50 30.11 3ncm s PRO 8 CO -0.13 -2.21 1.11 1.79 0.05 0.00 0.00 177.00 177.62 3ncm h THR 9 N 7.00 0.00 -0.86 1.26 1.35 -1.88 -3.34 112.91 116.44 3ncm h THR 9 Ca -0.33 -0.00 -0.42 0.00 -0.55 0.00 0.00 66.41 65.11 3ncm h THR 9 Cb 1.20 0.00 -0.07 0.00 -1.73 0.00 0.00 68.15 67.55 3ncm h THR 9 CO 1.06 0.00 1.05 -2.16 -0.25 0.00 0.00 175.52 175.22 3ncm s PRO 10 N -3.62 2.97 0.61 4.72 0.05 -1.24 0.19 135.00 138.67 3ncm s PRO 10 Ca -0.04 -0.65 0.08 0.00 0.05 0.00 0.00 61.00 60.43 3ncm s PRO 10 Cb 0.00 -5.19 0.10 0.00 0.05 0.00 0.00 34.50 29.46 3ncm s PRO 10 CO 0.13 -2.93 0.84 1.14 0.05 0.00 0.00 177.00 176.22 3ncm s GLN 11 N 6.19 2.16 -0.28 4.56 -2.07 0.21 -4.97 119.66 125.47 3ncm s GLN 11 Ca 0.61 -1.55 -0.12 0.00 -1.82 0.00 0.00 55.36 52.47 3ncm s GLN 11 Cb -0.04 -2.58 0.10 0.00 -1.09 0.00 0.00 33.01 29.40 3ncm s GLN 11 CO -0.04 -0.99 0.65 -2.00 -1.32 0.00 0.00 175.29 171.59 3ncm s GLU 12 N -4.77 0.62 0.00 9.60 2.12 -1.26 -1.56 118.70 123.45 3ncm s GLU 12 Ca 0.63 1.32 0.00 0.00 0.36 0.00 0.00 54.97 57.28 3ncm s GLU 12 Cb -0.05 0.52 0.00 0.00 0.26 0.00 0.00 34.13 34.85 3ncm s GLU 12 CO 0.40 -0.18 0.00 1.19 -0.54 0.00 0.00 175.26 176.13 3ncm n PHE 13 N 4.93 0.00 -5.18 5.30 3.01 -0.21 -4.96 117.46 120.35 3ncm n PHE 13 Ca -0.16 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 57.99 3ncm n PHE 13 Cb 0.53 0.00 -0.16 0.00 -0.01 0.00 0.00 39.48 39.85 3ncm n PHE 13 CO 0.00 0.00 0.00 -1.59 1.01 0.00 0.00 176.76 176.18 3ncm s LYS 14 N -0.56 2.45 0.34 -1.08 -2.85 -1.26 -4.29 119.74 112.49 3ncm s LYS 14 Ca 0.00 -0.86 -0.28 0.00 -1.00 0.00 0.00 55.97 53.83 3ncm s LYS 14 Cb 0.00 -2.19 -0.12 0.00 -2.06 0.00 0.00 37.83 33.45 3ncm s LYS 14 CO 0.00 0.48 1.26 -0.85 0.10 0.00 0.00 175.35 176.34 3ncm n GLU 15 N 2.69 2.05 -1.04 1.78 0.28 -1.24 -1.69 120.64 123.47 3ncm n GLU 15 Ca -0.17 0.72 -0.01 0.00 -0.16 0.00 0.00 57.16 57.54 3ncm n GLU 15 Cb 0.52 -2.29 -0.01 0.00 1.43 0.00 0.00 31.44 31.09 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 0.81 0.47 3.78 -1.84 0.00 0.32 -4.99 105.19 103.73 3ncm n GLY 16 Ca 0.05 -0.18 -0.24 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.03 2.81 -0.88 1.61 2.56 0.79 -4.58 118.70 119.98 3ncm s GLU 17 Ca 0.00 -1.02 -0.25 0.00 0.00 0.00 0.00 54.97 53.70 3ncm s GLU 17 Cb 0.00 -2.54 0.04 0.00 2.00 0.00 0.00 34.13 33.63 3ncm s GLU 17 CO 0.00 0.44 1.36 -0.51 -0.56 0.00 0.00 175.26 175.99 3ncm s ASP 18 N -3.45 6.33 0.43 -1.70 1.01 -1.26 0.54 116.67 118.57 3ncm s ASP 18 Ca 0.31 -0.94 0.07 0.00 0.71 0.00 0.00 52.55 52.70 3ncm s ASP 18 Cb -0.09 -2.56 0.01 0.00 1.01 0.00 0.00 42.92 41.29 3ncm s ASP 18 CO 0.23 -1.68 0.59 0.00 0.21 0.00 0.00 175.17 174.53 3ncm s ALA 19 N 5.36 4.43 0.00 5.23 0.00 -0.23 -4.88 121.76 131.67 3ncm s ALA 19 Ca 0.40 -1.61 0.00 0.00 0.00 0.00 0.00 51.96 50.75 3ncm s ALA 19 Cb -0.04 -1.69 -0.00 0.00 0.00 0.00 0.00 23.12 21.38 3ncm s ALA 19 CO 0.03 -0.33 -0.01 0.08 0.00 0.00 0.00 175.76 175.53 3ncm s VAL 20 N -2.40 0.03 -0.34 0.00 1.01 -1.26 0.41 120.40 117.86 3ncm s VAL 20 Ca 0.55 -0.08 -0.18 0.00 0.00 0.00 0.00 61.98 62.26 3ncm s VAL 20 Cb -0.10 -0.05 -0.01 0.00 0.00 0.00 0.00 36.38 36.22 3ncm s VAL 20 CO 0.34 -0.03 0.53 -0.63 0.00 0.00 0.00 175.10 175.30 3ncm s ILE 21 N -0.11 5.01 -0.20 2.22 1.01 0.42 -4.84 121.20 124.70 3ncm s ILE 21 Ca -0.01 0.45 -0.29 0.00 0.00 0.00 0.00 60.65 60.80 3ncm s ILE 21 Cb -0.01 -3.96 -0.00 0.00 0.01 0.00 0.00 42.46 38.50 3ncm s ILE 21 CO -0.00 -0.18 1.16 -0.69 0.00 0.00 0.00 174.94 175.23 3ncm s VAL 22 N 2.42 4.46 -0.38 2.92 1.01 -1.26 -2.26 120.40 127.30 3ncm s VAL 22 Ca 0.20 1.76 0.06 0.00 0.00 0.00 0.00 61.98 63.99 3ncm s VAL 22 Cb -0.15 -4.16 0.18 0.00 0.00 0.00 0.00 36.38 32.25 3ncm s VAL 22 CO 0.13 -0.18 0.66 0.00 0.00 0.00 0.00 175.10 175.70 3ncm s ASP 24 N 2.07 6.82 -0.12 0.00 1.01 -0.10 -4.44 116.67 121.91 3ncm s ASP 24 Ca 0.15 1.08 -0.05 0.00 0.71 0.00 0.00 52.55 54.45 3ncm s ASP 24 Cb -0.05 -2.29 0.06 0.00 1.01 0.00 0.00 42.92 41.66 3ncm s ASP 24 CO -0.12 0.08 0.25 -0.69 0.21 0.00 0.00 175.17 174.90 3ncm s VAL 25 N -1.51 -0.40 -1.19 -1.27 1.01 -1.26 0.38 120.40 116.17 3ncm s VAL 25 Ca 0.39 0.29 -0.18 0.00 0.00 0.00 0.00 61.98 62.48 3ncm s VAL 25 Cb -0.15 -0.43 -0.03 0.00 0.00 0.00 0.00 36.38 35.78 3ncm s VAL 25 CO 0.19 0.12 2.00 0.52 0.00 0.00 0.00 175.10 177.93 3ncm n VAL 26 N 5.35 2.88 -2.51 2.92 0.31 0.21 -4.81 118.33 122.68 3ncm n VAL 26 Ca -0.06 -2.70 -0.30 0.00 -0.01 0.00 0.00 64.34 61.28 3ncm n VAL 26 Cb 0.50 -2.41 -0.01 0.00 -0.91 0.00 0.00 33.84 31.00 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 4.37 6.41 0.00 4.52 0.01 -1.24 -1.83 113.70 125.93 3ncm s SER 27 Ca 0.54 1.21 0.00 0.00 1.31 0.00 0.00 55.95 59.02 3ncm s SER 27 Cb 0.10 -2.37 0.00 0.00 0.21 0.00 0.00 66.02 63.96 3ncm s SER 27 CO 0.04 -0.58 0.53 -0.24 0.41 0.00 0.00 173.24 173.39 3ncm n SER 28 N -1.92 0.00 0.08 2.44 2.88 0.20 -4.85 113.62 112.46 3ncm n SER 28 Ca 0.03 0.53 0.00 0.00 -1.33 0.00 0.00 58.87 58.10 3ncm n SER 28 Cb 0.54 -0.03 0.00 0.00 -0.75 0.00 0.00 64.21 63.97 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 -0.92 -1.42 0.21 2.46 4.77 -1.26 -4.96 117.00 115.87 3ncm n LEU 29 Ca 0.00 0.59 -0.15 0.00 -0.03 0.00 0.00 56.01 56.43 3ncm n LEU 29 Cb 0.00 1.62 -0.08 0.00 -2.33 0.00 0.00 43.42 42.63 3ncm n LEU 29 CO 0.00 0.09 0.73 1.55 -1.33 0.00 0.00 177.39 178.44 3ncm h PRO 30 N 0.00 -0.50 0.00 3.23 0.13 -2.00 -3.44 132.00 129.42 3ncm h PRO 30 Ca 0.00 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 3ncm h PRO 30 Cb 0.00 0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.24 3ncm h PRO 30 CO 0.00 -0.33 0.00 -0.35 -0.23 0.00 0.00 178.00 177.09 3ncm n PRO 31 N -5.33 -0.80 -0.76 1.56 -0.04 -1.26 -5.09 135.00 123.29 3ncm n PRO 31 Ca -0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 3ncm n PRO 31 Cb 0.24 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.70 3ncm n PRO 31 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 3ncm n THR 32 N -2.18 0.00 -4.09 0.52 -1.04 -0.97 -4.97 114.28 101.55 3ncm n THR 32 Ca 0.00 0.00 -0.23 0.00 -2.04 0.00 0.00 64.05 61.78 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 -2.46 4.56 -0.15 12.58 2.07 -1.26 -0.20 121.20 136.33 3ncm s ILE 33 Ca 0.00 -1.24 0.00 0.00 -1.41 0.00 0.00 60.65 58.00 3ncm s ILE 33 Cb 0.00 -3.42 0.03 0.00 0.13 0.00 0.00 42.46 39.20 3ncm s ILE 33 CO 0.00 -0.26 -0.12 -0.63 -1.91 0.00 0.00 174.94 172.02 3ncm s ILE 34 N -1.99 1.46 -0.67 2.00 1.01 0.14 -4.87 121.20 118.29 3ncm s ILE 34 Ca 0.32 -0.63 -0.26 0.00 0.00 0.00 0.00 60.65 60.08 3ncm s ILE 34 Cb -0.09 -1.43 0.04 0.00 0.01 0.00 0.00 42.46 40.99 3ncm s ILE 34 CO 0.25 0.38 1.19 0.26 0.00 0.00 0.00 174.94 177.02 3ncm s TRP 35 N 1.52 2.46 0.14 3.97 0.52 -1.26 -1.49 118.94 124.80 3ncm s TRP 35 Ca 0.04 0.01 0.02 0.00 0.02 0.00 0.00 56.10 56.19 3ncm s TRP 35 Cb -0.13 -4.51 0.02 0.00 -1.15 0.00 0.00 33.47 27.70 3ncm s TRP 35 CO -0.10 -1.83 0.18 1.17 0.02 0.00 0.00 176.95 176.39 3ncm n LYS 36 N 8.75 0.99 -1.23 4.98 4.81 -0.55 -0.73 118.16 135.18 3ncm n LYS 36 Ca 0.03 -0.79 0.11 0.00 -0.87 0.00 0.00 58.31 56.80 3ncm n LYS 36 Cb 0.48 -0.03 -0.06 0.00 0.02 0.00 0.00 35.03 35.44 3ncm n LYS 36 CO 0.00 0.00 0.00 1.58 1.17 0.00 0.00 177.40 180.15 3ncm n HIS 37 N -1.20 -3.33 -3.66 5.64 -0.00 -1.26 -1.79 115.22 109.62 3ncm n HIS 37 Ca 0.03 1.83 -0.23 0.00 0.46 0.00 0.00 57.72 59.81 3ncm n HIS 37 Cb 0.15 -3.00 0.06 0.00 -0.12 0.00 0.00 29.99 27.08 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 -3.64 -6.40 0.00 1.57 3.00 -1.26 -4.04 118.16 107.39 3ncm n LYS 38 Ca -0.06 0.73 0.00 0.00 -0.00 0.00 0.00 58.31 58.98 3ncm n LYS 38 Cb 0.54 -5.63 0.00 0.00 0.00 0.00 0.00 35.03 29.94 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 -1.63 -0.33 2.85 3.14 0.00 -1.26 -4.95 105.19 103.00 3ncm n GLY 39 Ca -0.12 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.90 3ncm n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ncm n ARG 40 N 0.00 -2.67 -2.76 1.61 3.00 -1.26 -4.62 116.66 109.97 3ncm n ARG 40 Ca 0.00 2.27 -0.03 0.00 -0.01 0.00 0.00 57.85 60.08 3ncm n ARG 40 Cb 0.00 -4.16 -0.03 0.00 0.00 0.00 0.00 32.46 28.27 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 0.93 -3.37 0.18 0.55 -0.08 -1.25 -4.81 116.55 108.69 3ncm n ASP 41 Ca -0.02 1.23 0.03 0.00 -1.51 0.00 0.00 54.79 54.52 3ncm n ASP 41 Cb 0.16 -4.30 0.33 0.00 2.34 0.00 0.00 41.12 39.65 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 4.15 1.20 0.00 5.18 -1.51 -1.18 -2.98 116.25 121.10 3ncm h VAL 42 Ca -0.34 -1.48 0.00 0.00 -1.23 0.00 0.00 66.70 63.65 3ncm h VAL 42 Cb 0.82 1.82 0.00 0.00 -2.13 0.00 0.00 31.29 31.80 3ncm h VAL 42 CO 0.02 0.41 0.01 0.40 -1.23 0.00 0.00 177.57 177.18 3ncm h ILE 43 N 0.00 0.00 0.00 7.19 2.04 -1.90 0.14 117.51 124.98 3ncm h ILE 43 Ca -0.00 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.75 3ncm h ILE 43 Cb 0.79 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.50 3ncm h ILE 43 CO 0.05 0.00 -1.37 0.18 0.00 0.00 0.00 178.15 177.02 3ncm n LEU 44 N -2.54 0.74 -0.10 1.44 4.32 -1.13 -4.34 117.00 115.40 3ncm n LEU 44 Ca -0.02 0.31 -0.18 0.00 -0.02 0.00 0.00 56.01 56.10 3ncm n LEU 44 Cb 0.05 0.04 -0.13 0.00 -1.62 0.00 0.00 43.42 41.77 3ncm n LEU 44 CO 0.13 0.03 -1.21 2.29 -1.22 0.00 0.00 177.39 177.41 3ncm n LYS 45 N -2.75 0.67 -3.92 3.23 2.85 -0.60 -5.02 118.16 112.62 3ncm n LYS 45 Ca -0.07 0.16 -0.33 0.00 -1.05 0.00 0.00 58.31 57.03 3ncm n LYS 45 Cb 0.73 -1.56 0.00 0.00 -0.65 0.00 0.00 35.03 33.55 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 -3.26 -1.69 -0.70 -1.58 4.76 0.37 -4.92 118.16 111.16 3ncm n LYS 46 Ca -0.41 0.32 -0.32 0.00 -2.87 0.00 0.00 58.31 55.02 3ncm n LYS 46 Cb 1.02 -3.87 0.16 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 -2.69 -2.09 0.33 4.39 9.92 -1.26 -4.82 116.55 120.32 3ncm n ASP 47 Ca -0.20 0.06 0.21 0.00 -0.53 0.00 0.00 54.79 54.33 3ncm n ASP 47 Cb 0.63 -1.10 1.11 0.00 -0.64 0.00 0.00 41.12 41.13 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 -1.95 0.08 -1.39 2.53 -1.51 -2.01 -2.84 116.25 109.16 3ncm h VAL 48 Ca -0.50 0.00 -0.61 0.00 -1.23 0.00 0.00 66.70 64.35 3ncm h VAL 48 Cb 1.33 0.94 -0.39 0.00 -2.13 0.00 0.00 31.29 31.04 3ncm h VAL 48 CO 0.38 0.00 -0.38 -2.11 -1.23 0.00 0.00 177.57 174.23 3ncm n ARG 49 N -3.17 3.33 -3.43 5.19 1.85 -1.26 -4.89 116.66 114.27 3ncm n ARG 49 Ca -0.03 -4.21 -0.18 0.00 -1.00 0.00 0.00 57.85 52.43 3ncm n ARG 49 Cb 0.13 -2.26 -0.11 0.00 -1.05 0.00 0.00 32.46 29.17 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 -3.65 -0.37 -0.20 2.89 0.40 -1.07 -1.47 117.98 114.51 3ncm s PHE 50 Ca 0.50 -0.17 0.00 0.00 -0.60 0.00 0.00 56.93 56.67 3ncm s PHE 50 Cb 0.41 -0.48 0.05 0.00 0.51 0.00 0.00 43.02 43.51 3ncm s PHE 50 CO -0.16 -0.87 -0.08 0.42 0.70 0.00 0.00 175.22 175.23 3ncm s ILE 51 N 2.33 1.47 -0.04 0.64 1.01 -0.71 -4.68 121.20 121.22 3ncm s ILE 51 Ca 0.09 -0.97 -0.30 0.00 0.00 0.00 0.00 60.65 59.47 3ncm s ILE 51 Cb -0.14 -1.63 -0.02 0.00 0.01 0.00 0.00 42.46 40.67 3ncm s ILE 51 CO -0.30 0.08 1.01 -0.69 0.00 0.00 0.00 174.94 175.04 3ncm s VAL 52 N 1.46 4.77 0.69 2.92 1.01 -1.26 -1.26 120.40 128.72 3ncm s VAL 52 Ca -0.02 2.00 -0.11 0.00 0.00 0.00 0.00 61.98 63.85 3ncm s VAL 52 Cb -0.17 -4.28 0.01 0.00 0.00 0.00 0.00 36.38 31.94 3ncm s VAL 52 CO -0.08 0.09 1.07 -0.76 0.00 0.00 0.00 175.10 175.43 3ncm s LEU 53 N 1.45 2.96 0.66 3.92 1.43 -0.53 -4.91 118.68 123.66 3ncm s LEU 53 Ca 0.51 1.12 0.43 0.00 -1.03 0.00 0.00 54.13 55.16 3ncm s LEU 53 Cb -0.21 -3.94 2.38 0.00 0.03 0.00 0.00 46.19 44.45 3ncm s LEU 53 CO 0.24 -1.27 2.37 0.77 0.23 0.00 0.00 176.35 178.69 3ncm h SER 54 N -0.58 0.00 -0.33 2.29 4.64 -1.96 -1.36 113.55 116.25 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 -3.17 3.60 -1.88 4.97 6.94 -1.26 -4.89 115.26 119.56 3ncm n ASN 55 Ca -0.03 -2.50 -0.15 0.00 -0.02 0.00 0.00 54.58 51.89 3ncm n ASN 55 Cb 0.07 -0.59 0.01 0.00 -2.36 0.00 0.00 39.78 36.91 3ncm n ASN 55 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 3ncm n ASN 56 N 0.37 -4.50 -4.94 0.53 4.13 -0.51 -4.63 115.26 105.72 3ncm n ASN 56 Ca 0.16 -0.11 -0.19 0.00 1.68 0.00 0.00 54.58 56.11 3ncm n ASN 56 Cb 0.76 -3.50 -0.01 0.00 -1.54 0.00 0.00 39.78 35.49 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 -2.85 2.82 -0.35 3.10 1.51 -1.25 -4.50 117.35 115.83 3ncm s TYR 57 Ca 0.11 -0.40 0.02 0.00 -1.01 0.00 0.00 57.07 55.79 3ncm s TYR 57 Cb -0.05 -2.18 0.10 0.00 -0.11 0.00 0.00 41.96 39.72 3ncm s TYR 57 CO 0.14 -0.18 0.10 -1.17 -1.11 0.00 0.00 175.55 173.32 3ncm s LEU 58 N -4.20 3.72 -0.67 -1.29 2.96 -0.96 -1.45 118.68 116.79 3ncm s LEU 58 Ca 0.49 -2.09 -0.27 0.00 -0.22 0.00 0.00 54.13 52.05 3ncm s LEU 58 Cb -0.07 -1.33 0.00 0.00 0.50 0.00 0.00 46.19 45.30 3ncm s LEU 58 CO 0.30 -0.37 1.57 -1.10 -1.32 0.00 0.00 176.35 175.43 3ncm s GLN 59 N 1.01 2.91 -0.42 1.98 -0.21 -0.39 -0.43 119.66 124.11 3ncm s GLN 59 Ca 0.12 0.20 -0.20 0.00 0.02 0.00 0.00 55.36 55.50 3ncm s GLN 59 Cb -0.19 -4.28 0.02 0.00 1.00 0.00 0.00 33.01 29.55 3ncm s GLN 59 CO -0.13 -2.44 0.60 0.42 -2.12 0.00 0.00 175.29 171.63 3ncm s ILE 60 N 7.42 4.89 -0.28 1.08 1.01 0.17 -1.75 121.20 133.74 3ncm s ILE 60 Ca 0.52 0.10 -0.29 0.00 0.00 0.00 0.00 60.65 60.98 3ncm s ILE 60 Cb -0.10 -4.15 -0.01 0.00 0.01 0.00 0.00 42.46 38.21 3ncm s ILE 60 CO 0.18 -0.51 1.50 -0.60 0.00 0.00 0.00 174.94 175.51 3ncm s ARG 61 N 2.66 3.77 0.00 2.79 3.00 -0.54 -1.06 118.95 129.57 3ncm s ARG 61 Ca 0.21 1.41 0.00 0.00 -1.00 0.00 0.00 55.73 56.35 3ncm s ARG 61 Cb -0.15 -4.00 0.00 0.00 0.00 0.00 0.00 34.95 30.81 3ncm s ARG 61 CO 0.17 -1.32 0.00 0.41 0.00 0.00 0.00 175.30 174.56 3ncm n GLY 62 N 4.66 2.95 3.82 8.12 0.00 0.19 -4.78 105.19 120.15 3ncm n GLY 62 Ca 0.17 -0.67 -0.29 0.00 0.00 0.00 0.00 46.02 45.23 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 -3.67 -0.96 -0.61 0.13 -1.09 0.12 119.36 113.28 3ncm n ILE 63 Ca 0.00 -0.20 -0.33 0.00 -1.10 0.00 0.00 62.75 61.12 3ncm n ILE 63 Cb 0.00 -3.06 0.13 0.00 -0.84 0.00 0.00 39.64 35.87 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 -3.23 -0.05 0.31 9.51 5.02 -1.26 -3.93 118.16 124.54 3ncm n LYS 64 Ca -0.25 0.06 0.19 0.00 -2.02 0.00 0.00 58.31 56.29 3ncm n LYS 64 Cb 0.65 -2.30 1.02 0.00 -0.02 0.00 0.00 35.03 34.37 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 -1.23 0.00 0.00 1.97 3.64 -1.91 -1.51 116.57 117.53 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 0.43 0.02 -0.36 1.79 -2.27 0.00 0.00 179.45 179.06 3ncm h THR 66 N 0.00 0.00 -0.01 1.00 1.35 -2.01 -3.28 112.91 109.96 3ncm h THR 66 Ca -0.00 -0.89 0.00 0.00 -0.55 0.00 0.00 66.41 64.97 3ncm h THR 66 Cb 0.12 1.70 0.00 0.00 -1.73 0.00 0.00 68.15 68.23 3ncm h THR 66 CO 0.00 0.00 -0.28 0.47 -0.25 0.00 0.00 175.52 175.46 3ncm n ASP 67 N -2.78 0.91 -4.75 5.36 9.92 -0.57 -4.89 116.55 119.76 3ncm n ASP 67 Ca 0.03 -0.77 -0.40 0.00 -0.53 0.00 0.00 54.79 53.12 3ncm n ASP 67 Cb 0.51 0.13 -0.05 0.00 -0.64 0.00 0.00 41.12 41.07 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 -2.57 4.68 0.00 -1.24 -1.05 -1.21 -4.86 118.70 112.44 3ncm s GLU 68 Ca 0.23 1.33 0.00 0.00 -0.15 0.00 0.00 54.97 56.38 3ncm s GLU 68 Cb 0.19 -3.33 0.00 0.00 -0.44 0.00 0.00 34.13 30.55 3ncm s GLU 68 CO 0.54 0.37 0.00 0.41 0.95 0.00 0.00 175.26 177.54 3ncm n GLY 69 N 1.96 -0.75 2.60 -3.83 0.00 0.18 -4.93 105.19 100.41 3ncm n GLY 69 Ca -0.01 0.63 -0.28 0.00 0.00 0.00 0.00 46.02 46.36 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 0.06 0.04 2.61 2.01 -1.26 -0.06 115.64 119.04 3ncm s THR 70 Ca 0.00 -0.61 -0.23 0.00 0.31 0.00 0.00 61.69 61.17 3ncm s THR 70 Cb 0.00 -0.91 -0.06 0.00 0.01 0.00 0.00 72.50 71.54 3ncm s THR 70 CO 0.00 -0.53 0.68 -0.31 -0.69 0.00 0.00 174.62 173.76 3ncm s TYR 71 N 2.05 3.74 -0.29 4.92 1.51 0.19 -4.49 117.35 124.99 3ncm s TYR 71 Ca 0.06 1.36 -0.17 0.00 -1.01 0.00 0.00 57.07 57.31 3ncm s TYR 71 Cb -0.16 -2.70 -0.02 0.00 -0.11 0.00 0.00 41.96 38.97 3ncm s TYR 71 CO -0.24 0.36 0.47 0.50 -1.11 0.00 0.00 175.55 175.53 3ncm s ARG 72 N -0.34 3.93 -0.92 -0.62 3.52 -0.74 0.49 118.95 124.27 3ncm s ARG 72 Ca 0.34 0.11 -0.21 0.00 -0.13 0.00 0.00 55.73 55.84 3ncm s ARG 72 Cb -0.20 -3.70 0.10 0.00 -1.56 0.00 0.00 34.95 29.60 3ncm s ARG 72 CO 0.21 -0.41 1.20 0.00 -0.81 0.00 0.00 175.30 175.49 3ncm s GLU 74 N 3.54 3.68 -0.76 0.00 2.12 -0.56 -0.77 118.70 125.96 3ncm s GLU 74 Ca 0.35 -2.03 -0.26 0.00 0.36 0.00 0.00 54.97 53.40 3ncm s GLU 74 Cb -0.05 -4.85 -0.01 0.00 0.26 0.00 0.00 34.13 29.49 3ncm s GLU 74 CO -0.07 -1.68 1.69 0.20 -0.54 0.00 0.00 175.26 174.87 3ncm s GLY 75 N 3.22 0.49 -0.22 -1.50 0.00 0.26 0.26 107.32 109.83 3ncm s GLY 75 Ca 0.32 -1.23 -0.11 0.00 0.00 0.00 0.00 44.72 43.69 3ncm s GLY 75 CO -0.08 3.16 0.17 -1.60 0.00 0.00 0.00 173.10 174.75 3ncm s ARG 76 N 6.46 4.13 -0.36 2.90 3.52 0.72 0.33 118.95 136.64 3ncm s ARG 76 Ca 0.58 -0.21 0.01 0.00 -0.13 0.00 0.00 55.73 55.98 3ncm s ARG 76 Cb -0.08 -3.49 0.15 0.00 -1.56 0.00 0.00 34.95 29.97 3ncm s ARG 76 CO 0.10 0.16 0.28 0.42 -0.81 0.00 0.00 175.30 175.45 3ncm s ILE 77 N 0.77 -0.04 -0.41 4.11 1.09 0.62 -2.28 121.20 125.05 3ncm s ILE 77 Ca 0.09 -1.48 0.11 0.00 -1.10 0.00 0.00 60.65 58.26 3ncm s ILE 77 Cb -0.13 -0.94 0.64 0.00 -1.06 0.00 0.00 42.46 40.97 3ncm s ILE 77 CO 0.02 -0.85 1.47 0.18 -0.10 0.00 0.00 174.94 175.67 3ncm n LEU 78 N 4.05 4.69 -0.04 2.97 4.77 -1.25 0.75 117.00 132.94 3ncm n LEU 78 Ca 0.13 -2.38 -0.04 0.00 -0.03 0.00 0.00 56.01 53.69 3ncm n LEU 78 Cb 0.41 -0.65 -0.05 0.00 -2.33 0.00 0.00 43.42 40.80 3ncm n LEU 78 CO 0.12 0.54 -0.73 0.00 -1.33 0.00 0.00 177.39 175.99 3ncm n ALA 79 N 0.48 1.83 0.01 -1.18 0.00 -1.26 -4.92 120.51 115.47 3ncm n ALA 79 Ca 0.22 -0.43 -0.01 0.00 0.00 0.00 0.00 53.44 53.21 3ncm n ALA 79 Cb 0.99 0.14 -0.00 0.00 0.00 0.00 0.00 19.45 20.58 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 -2.34 0.07 0.00 0.00 5.12 -1.26 -5.03 116.66 113.21 3ncm n ARG 80 Ca -0.12 0.03 0.00 0.00 -1.93 0.00 0.00 57.85 55.83 3ncm n ARG 80 Cb 0.71 -0.48 0.00 0.00 -1.16 0.00 0.00 32.46 31.53 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 3.08 -0.24 0.00 -0.13 0.00 -1.24 -4.90 105.19 101.76 3ncm n GLY 81 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.18 -0.00 -3.36 1.61 0.28 0.23 -4.90 120.64 113.32 3ncm n GLU 82 Ca 0.00 0.00 -0.45 0.00 -0.16 0.00 0.00 57.16 56.55 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 5.22 0.22 3.84 -5.25 -1.26 -0.28 121.20 120.70 3ncm s ILE 83 Ca 0.00 -1.19 0.05 0.00 -0.99 0.00 0.00 60.65 58.52 3ncm s ILE 83 Cb 0.00 -4.19 -0.03 0.00 2.95 0.00 0.00 42.46 41.18 3ncm s ILE 83 CO 0.00 -0.67 0.32 0.20 -1.79 0.00 0.00 174.94 173.00 3ncm s ASN 84 N 2.91 6.23 0.28 4.36 -0.87 0.15 -4.95 114.94 123.05 3ncm s ASN 84 Ca 0.04 0.06 -0.21 0.00 -1.57 0.00 0.00 52.86 51.18 3ncm s ASN 84 Cb -0.26 -1.82 0.03 0.00 -0.02 0.00 0.00 41.25 39.19 3ncm s ASN 84 CO 0.06 -0.04 0.77 0.72 -2.57 0.00 0.00 177.10 176.04 3ncm s PHE 85 N -1.93 -0.12 0.01 2.20 -0.12 -1.26 0.92 117.98 117.68 3ncm s PHE 85 Ca 0.34 -0.36 -0.28 0.00 -0.05 0.00 0.00 56.93 56.58 3ncm s PHE 85 Cb -0.09 0.73 0.10 0.00 -0.63 0.00 0.00 43.02 43.12 3ncm s PHE 85 CO 0.28 -1.24 0.84 0.15 -0.05 0.00 0.00 175.22 175.20 3ncm s LYS 86 N -3.48 0.89 -0.25 1.99 1.02 0.05 -4.90 119.74 115.06 3ncm s LYS 86 Ca 0.12 -0.28 -0.08 0.00 0.02 0.00 0.00 55.97 55.75 3ncm s LYS 86 Cb -0.05 0.41 -0.04 0.00 -0.52 0.00 0.00 37.83 37.64 3ncm s LYS 86 CO 0.07 -0.38 0.11 0.16 -0.92 0.00 0.00 175.35 174.39 3ncm s ASP 87 N -2.39 5.47 -0.24 2.83 -4.77 -1.26 0.71 116.67 117.01 3ncm s ASP 87 Ca 0.03 -0.11 -0.07 0.00 -3.30 0.00 0.00 52.55 49.10 3ncm s ASP 87 Cb -0.01 -1.99 -0.03 0.00 -1.09 0.00 0.00 42.92 39.80 3ncm s ASP 87 CO -0.08 -0.01 0.08 -0.63 0.70 0.00 0.00 175.17 175.22 3ncm s ILE 88 N 1.50 4.43 -0.43 2.11 1.09 0.18 -4.83 121.20 125.25 3ncm s ILE 88 Ca 0.06 -0.13 -0.25 0.00 -1.10 0.00 0.00 60.65 59.23 3ncm s ILE 88 Cb -0.15 -3.06 0.02 0.00 -1.06 0.00 0.00 42.46 38.21 3ncm s ILE 88 CO 0.05 0.35 0.90 -1.10 -0.10 0.00 0.00 174.94 175.05 3ncm s GLN 89 N 1.44 3.62 -0.19 2.79 -0.21 0.13 0.56 119.66 127.79 3ncm s GLN 89 Ca 0.06 0.26 -0.07 0.00 0.02 0.00 0.00 55.36 55.62 3ncm s GLN 89 Cb -0.15 -3.89 -0.04 0.00 1.00 0.00 0.00 33.01 29.94 3ncm s GLN 89 CO 0.04 -1.12 0.06 0.08 -2.12 0.00 0.00 175.29 172.23 3ncm s VAL 90 N 3.60 4.60 0.27 1.09 1.01 0.91 0.68 120.40 132.56 3ncm s VAL 90 Ca 0.36 -0.10 0.11 0.00 0.00 0.00 0.00 61.98 62.36 3ncm s VAL 90 Cb -0.11 -3.09 -0.05 0.00 0.00 0.00 0.00 36.38 33.14 3ncm s VAL 90 CO 0.23 0.43 -0.12 -0.63 0.00 0.00 0.00 175.10 175.02 3ncm s ILE 91 N 0.65 2.87 0.00 2.22 1.01 -0.60 0.49 121.20 127.83 3ncm s ILE 91 Ca 0.03 -2.19 0.00 0.00 0.00 0.00 0.00 60.65 58.49 3ncm s ILE 91 Cb -0.13 -2.51 0.00 0.00 0.01 0.00 0.00 42.46 39.83 3ncm s ILE 91 CO 0.02 -0.38 0.00 0.55 0.00 0.00 0.00 174.94 175.13