#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 -0.44 -0.26 -3.48 1.01 -1.21 0.20 120.40 116.23 3ncm s VAL 2 Ca 0.00 -0.25 -0.04 0.00 0.00 0.00 0.00 61.98 61.68 3ncm s VAL 2 Cb 0.00 -0.85 0.01 0.00 0.00 0.00 0.00 36.38 35.54 3ncm s VAL 2 CO 0.00 -0.29 -0.00 -0.04 0.00 0.00 0.00 175.10 174.77 3ncm s MET 3 N 2.41 3.14 -0.15 2.72 -1.94 -0.85 -4.84 119.30 119.79 3ncm s MET 3 Ca 0.09 -0.80 -0.29 0.00 -1.71 0.00 0.00 55.69 52.98 3ncm s MET 3 Cb -0.15 -3.14 -0.02 0.00 2.01 0.00 0.00 34.83 33.53 3ncm s MET 3 CO -0.22 -0.34 1.35 -0.06 -0.01 0.00 0.00 175.02 175.75 3ncm s PHE 4 N 1.45 2.64 0.13 -0.03 0.40 -1.26 0.45 117.98 121.76 3ncm s PHE 4 Ca 0.03 0.82 0.04 0.00 -0.60 0.00 0.00 56.93 57.22 3ncm s PHE 4 Cb -0.16 -3.62 -0.04 0.00 0.51 0.00 0.00 43.02 39.71 3ncm s PHE 4 CO -0.01 -2.18 -0.09 -1.59 0.70 0.00 0.00 175.22 172.05 3ncm s LYS 5 N 3.67 1.00 -0.03 0.44 -2.85 0.19 -4.96 119.74 117.20 3ncm s LYS 5 Ca 0.59 -1.42 -0.03 0.00 -1.00 0.00 0.00 55.97 54.11 3ncm s LYS 5 Cb -0.24 -0.50 0.00 0.00 -2.06 0.00 0.00 37.83 35.04 3ncm s LYS 5 CO 0.18 0.04 0.05 -1.71 0.10 0.00 0.00 175.35 174.02 3ncm n ASN 6 N -0.16 -4.28 -2.90 0.03 5.15 -1.26 -0.80 115.26 111.04 3ncm n ASN 6 Ca -0.11 0.22 -0.07 0.00 -0.60 0.00 0.00 54.58 54.03 3ncm n ASN 6 Cb 0.61 -1.05 -0.01 0.00 -0.53 0.00 0.00 39.78 38.80 3ncm n ASN 6 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3ncm s ALA 7 N -0.70 -1.67 -0.40 5.20 0.00 -1.26 -0.96 121.76 121.97 3ncm s ALA 7 Ca 0.03 -0.62 -0.27 0.00 0.00 0.00 0.00 51.96 51.10 3ncm s ALA 7 Cb -0.00 -2.57 -0.04 0.00 0.00 0.00 0.00 23.12 20.51 3ncm s ALA 7 CO 0.07 -2.20 2.04 -1.25 0.00 0.00 0.00 175.76 174.41 3ncm s PRO 8 N 0.88 2.86 0.03 0.00 0.05 -1.26 -4.91 135.00 132.65 3ncm s PRO 8 Ca 0.29 1.38 -0.11 0.00 0.05 0.00 0.00 61.00 62.60 3ncm s PRO 8 Cb -0.00 -4.36 -0.05 0.00 0.05 0.00 0.00 34.50 30.13 3ncm s PRO 8 CO -0.07 -2.42 1.17 1.79 0.05 0.00 0.00 177.00 177.53 3ncm h THR 9 N 7.09 0.00 -1.16 1.26 1.35 -1.89 -3.34 112.91 116.23 3ncm h THR 9 Ca -0.31 0.00 -0.42 0.00 -0.55 0.00 0.00 66.41 65.12 3ncm h THR 9 Cb 1.20 0.00 -0.06 0.00 -1.73 0.00 0.00 68.15 67.56 3ncm h THR 9 CO 1.08 0.00 1.05 -2.16 -0.25 0.00 0.00 175.52 175.25 3ncm s PRO 10 N -3.88 2.87 0.47 4.72 0.05 -1.24 -0.02 135.00 137.97 3ncm s PRO 10 Ca -0.05 -0.34 0.09 0.00 0.05 0.00 0.00 61.00 60.74 3ncm s PRO 10 Cb 0.01 -4.95 0.04 0.00 0.05 0.00 0.00 34.50 29.65 3ncm s PRO 10 CO 0.19 -2.88 0.64 1.14 0.05 0.00 0.00 177.00 176.14 3ncm s GLN 11 N 6.41 2.64 -0.23 4.56 -2.07 0.27 -4.96 119.66 126.28 3ncm s GLN 11 Ca 0.61 -1.39 -0.10 0.00 -1.82 0.00 0.00 55.36 52.65 3ncm s GLN 11 Cb -0.06 -2.71 0.09 0.00 -1.09 0.00 0.00 33.01 29.23 3ncm s GLN 11 CO 0.02 -0.48 0.52 -2.00 -1.32 0.00 0.00 175.29 172.03 3ncm s GLU 12 N -4.46 0.48 0.00 9.60 2.12 -1.26 -1.47 118.70 123.71 3ncm s GLU 12 Ca 0.57 1.08 0.00 0.00 0.36 0.00 0.00 54.97 56.98 3ncm s GLU 12 Cb -0.08 0.28 0.00 0.00 0.26 0.00 0.00 34.13 34.58 3ncm s GLU 12 CO 0.35 -0.19 0.00 1.19 -0.54 0.00 0.00 175.26 176.07 3ncm n PHE 13 N 4.82 0.00 -4.30 5.30 3.72 -0.19 -4.96 117.46 121.85 3ncm n PHE 13 Ca -0.16 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 56.89 3ncm n PHE 13 Cb 0.53 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.98 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 -1.92 3.15 0.15 -1.08 2.20 -1.26 -4.34 119.74 116.64 3ncm s LYS 14 Ca 0.00 -0.38 -0.31 0.00 -0.36 0.00 0.00 55.97 54.92 3ncm s LYS 14 Cb 0.00 -2.87 -0.11 0.00 -1.51 0.00 0.00 37.83 33.34 3ncm s LYS 14 CO 0.00 0.65 1.81 -1.83 -0.36 0.00 0.00 175.35 175.62 3ncm s GLU 15 N -0.73 4.13 0.00 4.03 -1.05 -1.26 -1.63 118.70 122.18 3ncm s GLU 15 Ca 0.12 2.62 0.00 0.00 -0.15 0.00 0.00 54.97 57.55 3ncm s GLU 15 Cb -0.12 -3.44 0.00 0.00 -0.44 0.00 0.00 34.13 30.13 3ncm s GLU 15 CO 0.02 -0.82 0.00 0.41 0.95 0.00 0.00 175.26 175.82 3ncm n GLY 16 N 4.18 0.43 3.67 -3.83 0.00 0.29 -5.02 105.19 104.91 3ncm n GLY 16 Ca 0.17 -1.00 -0.23 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.08 2.30 -0.78 1.61 2.56 0.10 -4.61 118.70 117.80 3ncm s GLU 17 Ca 0.00 -1.47 -0.26 0.00 0.00 0.00 0.00 54.97 53.23 3ncm s GLU 17 Cb 0.00 -2.15 0.03 0.00 2.00 0.00 0.00 34.13 34.01 3ncm s GLU 17 CO 0.00 0.28 1.31 -0.51 -0.56 0.00 0.00 175.26 175.78 3ncm s ASP 18 N -3.72 6.19 0.40 -1.70 1.11 -1.26 0.47 116.67 118.17 3ncm s ASP 18 Ca 0.33 -0.57 0.08 0.00 0.18 0.00 0.00 52.55 52.56 3ncm s ASP 18 Cb -0.05 -2.56 -0.00 0.00 1.07 0.00 0.00 42.92 41.38 3ncm s ASP 18 CO 0.21 -1.80 0.51 0.00 1.18 0.00 0.00 175.17 175.26 3ncm s ALA 19 N 5.68 4.37 -0.03 5.23 0.00 0.18 -4.89 121.76 132.31 3ncm s ALA 19 Ca 0.37 -1.68 -0.03 0.00 0.00 0.00 0.00 51.96 50.62 3ncm s ALA 19 Cb -0.07 -1.50 0.01 0.00 0.00 0.00 0.00 23.12 21.55 3ncm s ALA 19 CO 0.12 -0.22 0.08 0.08 0.00 0.00 0.00 175.76 175.82 3ncm s VAL 20 N -2.34 0.01 -0.34 0.00 1.01 -1.26 -0.02 120.40 117.46 3ncm s VAL 20 Ca 0.51 -0.05 -0.16 0.00 0.00 0.00 0.00 61.98 62.28 3ncm s VAL 20 Cb -0.08 -0.14 -0.01 0.00 0.00 0.00 0.00 36.38 36.15 3ncm s VAL 20 CO 0.31 -0.03 0.38 -0.63 0.00 0.00 0.00 175.10 175.14 3ncm s ILE 21 N -0.06 5.15 -0.26 2.22 1.01 -0.16 -4.85 121.20 124.25 3ncm s ILE 21 Ca -0.01 0.10 -0.29 0.00 0.00 0.00 0.00 60.65 60.45 3ncm s ILE 21 Cb -0.01 -3.84 -0.00 0.00 0.01 0.00 0.00 42.46 38.62 3ncm s ILE 21 CO 0.00 -0.11 1.25 -0.69 0.00 0.00 0.00 174.94 175.39 3ncm s VAL 22 N 2.07 4.26 -0.41 2.92 1.01 -1.26 -2.32 120.40 126.68 3ncm s VAL 22 Ca 0.13 1.47 0.07 0.00 0.00 0.00 0.00 61.98 63.65 3ncm s VAL 22 Cb -0.16 -4.15 0.18 0.00 0.00 0.00 0.00 36.38 32.25 3ncm s VAL 22 CO 0.12 -0.36 0.65 0.00 0.00 0.00 0.00 175.10 175.51 3ncm s ASP 24 N 1.84 7.10 -0.11 0.00 -1.08 0.02 -4.38 116.67 120.05 3ncm s ASP 24 Ca 0.16 1.36 -0.06 0.00 -0.52 0.00 0.00 52.55 53.49 3ncm s ASP 24 Cb -0.04 -2.39 0.05 0.00 -1.46 0.00 0.00 42.92 39.08 3ncm s ASP 24 CO -0.07 0.19 0.26 -0.69 0.52 0.00 0.00 175.17 175.38 3ncm s VAL 25 N -1.25 -0.07 -1.23 1.11 1.01 -1.26 0.54 120.40 119.24 3ncm s VAL 25 Ca 0.34 0.15 -0.11 0.00 0.00 0.00 0.00 61.98 62.37 3ncm s VAL 25 Cb -0.19 -0.41 0.18 0.00 0.00 0.00 0.00 36.38 35.96 3ncm s VAL 25 CO 0.21 0.06 1.62 0.52 0.00 0.00 0.00 175.10 177.52 3ncm n VAL 26 N 4.33 4.36 -1.85 2.92 0.31 0.17 -4.84 118.33 123.74 3ncm n VAL 26 Ca -0.24 -4.66 -0.31 0.00 -0.01 0.00 0.00 64.34 59.13 3ncm n VAL 26 Cb 0.53 -2.40 0.03 0.00 -0.91 0.00 0.00 33.84 31.09 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 1.68 5.76 0.00 4.52 0.01 -1.25 -2.00 113.70 122.42 3ncm s SER 27 Ca 0.40 1.30 0.00 0.00 1.31 0.00 0.00 55.95 58.96 3ncm s SER 27 Cb 0.03 -2.21 0.00 0.00 0.21 0.00 0.00 66.02 64.05 3ncm s SER 27 CO 0.01 -1.16 0.25 -0.24 0.41 0.00 0.00 173.24 172.51 3ncm n SER 28 N -2.91 0.00 0.11 2.44 2.88 0.13 -4.80 113.62 111.46 3ncm n SER 28 Ca 0.07 0.25 0.00 0.00 -1.33 0.00 0.00 58.87 57.85 3ncm n SER 28 Cb 0.55 0.00 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 -0.46 -1.91 0.20 2.46 4.77 -1.26 -4.90 117.00 115.89 3ncm n LEU 29 Ca 0.00 0.52 -0.15 0.00 -0.03 0.00 0.00 56.01 56.35 3ncm n LEU 29 Cb 0.00 1.99 -0.08 0.00 -2.33 0.00 0.00 43.42 43.00 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 -0.44 0.00 3.23 0.14 -2.00 -3.44 132.00 129.49 3ncm h PRO 30 Ca 0.00 0.03 0.00 0.00 0.14 0.00 0.00 66.00 66.17 3ncm h PRO 30 Cb 0.00 0.10 0.00 0.00 0.14 0.00 0.00 31.00 31.24 3ncm h PRO 30 CO 0.00 -0.29 0.00 -2.30 0.14 0.00 0.00 178.00 175.55 3ncm n PRO 31 N -5.29 -0.64 -0.20 1.56 -0.02 -1.26 -5.09 135.00 124.06 3ncm n PRO 31 Ca -0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.38 3ncm n PRO 31 Cb 0.21 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.69 3ncm n PRO 31 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3ncm n THR 32 N -2.08 0.00 -4.66 3.45 -1.04 -1.06 -4.96 114.28 103.93 3ncm n THR 32 Ca 0.00 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.67 3ncm n THR 32 Cb 0.00 0.00 -0.12 0.00 -1.82 0.00 0.00 70.33 68.39 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 3.55 -0.15 12.58 2.07 -1.26 -0.27 121.20 135.25 3ncm s ILE 33 Ca 0.00 -0.52 -0.15 0.00 -1.41 0.00 0.00 60.65 58.56 3ncm s ILE 33 Cb 0.00 -2.46 -0.04 0.00 0.13 0.00 0.00 42.46 40.09 3ncm s ILE 33 CO 0.00 0.57 0.36 -0.63 -1.91 0.00 0.00 174.94 173.34 3ncm s ILE 34 N -0.49 5.26 -0.54 2.00 1.01 0.42 -4.81 121.20 124.05 3ncm s ILE 34 Ca 0.07 0.70 -0.19 0.00 0.00 0.00 0.00 60.65 61.23 3ncm s ILE 34 Cb -0.12 -3.70 0.08 0.00 0.01 0.00 0.00 42.46 38.72 3ncm s ILE 34 CO 0.02 0.36 0.64 0.26 0.00 0.00 0.00 174.94 176.23 3ncm s TRP 35 N 0.54 3.04 0.27 3.97 0.52 -1.26 -1.29 118.94 124.73 3ncm s TRP 35 Ca 0.20 -0.71 -0.26 0.00 0.02 0.00 0.00 56.10 55.35 3ncm s TRP 35 Cb -0.14 -3.70 -0.09 0.00 -1.15 0.00 0.00 33.47 28.39 3ncm s TRP 35 CO 0.06 -1.12 0.88 0.21 0.02 0.00 0.00 176.95 177.01 3ncm s LYS 36 N 2.61 4.58 0.00 4.98 2.47 -0.72 -0.66 119.74 133.00 3ncm s LYS 36 Ca 0.13 1.26 0.00 0.00 -1.56 0.00 0.00 55.97 55.80 3ncm s LYS 36 Cb -0.21 -2.97 0.00 0.00 -1.46 0.00 0.00 37.83 33.19 3ncm s LYS 36 CO 0.10 0.38 0.00 -2.39 0.16 0.00 0.00 175.35 173.60 3ncm n HIS 37 N 0.90 0.00 1.77 4.03 1.44 -1.26 -1.57 115.22 120.54 3ncm n HIS 37 Ca -0.01 0.00 0.15 0.00 -2.01 0.00 0.00 57.72 55.85 3ncm n HIS 37 Cb 0.49 0.00 0.85 0.00 0.12 0.00 0.00 29.99 31.46 3ncm n HIS 37 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 3ncm n LYS 38 N 0.00 0.85 -1.90 -1.40 4.76 -1.26 -3.60 118.16 115.60 3ncm n LYS 38 Ca 0.00 0.00 0.01 0.00 -2.87 0.00 0.00 58.31 55.45 3ncm n LYS 38 Cb 0.00 -1.50 0.05 0.00 -1.84 0.00 0.00 35.03 31.74 3ncm n LYS 38 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3ncm n GLY 39 N 0.89 2.14 2.64 0.72 0.00 -1.26 -5.08 105.19 105.25 3ncm n GLY 39 Ca 0.21 -1.11 -0.04 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.15 -3.79 -1.77 1.61 3.00 -1.24 -4.88 116.66 109.45 3ncm n ARG 40 Ca 0.11 2.88 0.00 0.00 -0.01 0.00 0.00 57.85 60.83 3ncm n ARG 40 Cb 0.97 -3.90 0.00 0.00 0.00 0.00 0.00 32.46 29.52 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 1.94 -9.23 -0.10 0.55 -0.08 -1.26 -4.82 116.55 103.55 3ncm n ASP 41 Ca -0.26 1.32 -0.11 0.00 -1.51 0.00 0.00 54.79 54.23 3ncm n ASP 41 Cb 0.40 -5.02 -0.13 0.00 2.34 0.00 0.00 41.12 38.71 3ncm n ASP 41 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 3ncm n VAL 42 N -0.04 1.28 0.30 5.18 0.24 0.16 -4.40 118.33 121.06 3ncm n VAL 42 Ca 0.00 -0.71 0.18 0.00 -2.04 0.00 0.00 64.34 61.78 3ncm n VAL 42 Cb 0.00 -0.73 0.97 0.00 -1.47 0.00 0.00 33.84 32.61 3ncm n VAL 42 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 3ncm h ILE 43 N 0.00 0.00 0.00 1.34 1.08 -1.93 0.27 117.51 118.27 3ncm h ILE 43 Ca -0.50 0.00 -0.15 0.00 -0.39 0.00 0.00 64.86 63.82 3ncm h ILE 43 Cb 2.04 0.79 -0.03 0.00 -3.07 0.00 0.00 36.82 36.56 3ncm h ILE 43 CO -0.00 0.00 -1.29 -0.07 -0.69 0.00 0.00 178.15 176.10 3ncm h LEU 44 N 0.00 0.00 0.02 1.44 4.07 -1.92 -3.38 115.31 115.54 3ncm h LEU 44 Ca 0.00 0.00 -0.39 0.00 0.08 0.00 0.00 57.88 57.57 3ncm h LEU 44 Cb 0.22 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 41.90 3ncm h LEU 44 CO 0.00 0.53 -2.41 2.29 -1.08 0.00 0.00 178.44 177.77 3ncm n LYS 45 N -2.91 0.67 -3.87 1.13 2.85 -0.50 -5.02 118.16 110.50 3ncm n LYS 45 Ca -0.08 0.16 -0.30 0.00 -1.05 0.00 0.00 58.31 57.04 3ncm n LYS 45 Cb 0.81 -1.55 0.01 0.00 -0.65 0.00 0.00 35.03 33.65 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 -3.28 -2.06 -0.62 -1.58 4.76 0.83 -4.92 118.16 111.29 3ncm n LYS 46 Ca -0.44 0.38 -0.31 0.00 -2.87 0.00 0.00 58.31 55.06 3ncm n LYS 46 Cb 1.00 -4.11 0.20 0.00 -1.84 0.00 0.00 35.03 30.28 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 -2.77 -2.23 0.32 4.39 9.92 -1.26 -4.83 116.55 120.09 3ncm n ASP 47 Ca -0.20 -0.14 0.21 0.00 -0.53 0.00 0.00 54.79 54.13 3ncm n ASP 47 Cb 0.64 -1.04 1.06 0.00 -0.64 0.00 0.00 41.12 41.14 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 -2.24 0.06 -1.39 2.53 -1.51 -2.01 -3.04 116.25 108.66 3ncm h VAL 48 Ca -0.56 -0.14 -0.63 0.00 -1.23 0.00 0.00 66.70 64.14 3ncm h VAL 48 Cb 1.35 1.13 -0.38 0.00 -2.13 0.00 0.00 31.29 31.27 3ncm h VAL 48 CO 0.41 0.01 -0.19 -2.11 -1.23 0.00 0.00 177.57 174.46 3ncm n ARG 49 N -3.15 3.25 -3.48 5.19 1.85 -1.26 -4.90 116.66 114.15 3ncm n ARG 49 Ca -0.02 -4.09 -0.19 0.00 -1.00 0.00 0.00 57.85 52.55 3ncm n ARG 49 Cb 0.13 -2.27 -0.13 0.00 -1.05 0.00 0.00 32.46 29.15 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 -3.70 -0.24 -0.27 2.89 0.40 -1.15 -1.58 117.98 114.32 3ncm s PHE 50 Ca 0.51 0.02 -0.00 0.00 -0.60 0.00 0.00 56.93 56.86 3ncm s PHE 50 Cb 0.42 -0.44 0.08 0.00 0.51 0.00 0.00 43.02 43.59 3ncm s PHE 50 CO -0.17 -0.69 0.03 0.42 0.70 0.00 0.00 175.22 175.52 3ncm s ILE 51 N 2.31 1.20 0.11 0.64 1.01 -0.65 -4.74 121.20 121.08 3ncm s ILE 51 Ca 0.07 -1.32 -0.30 0.00 0.00 0.00 0.00 60.65 59.10 3ncm s ILE 51 Cb -0.15 -1.73 -0.07 0.00 0.01 0.00 0.00 42.46 40.52 3ncm s ILE 51 CO -0.19 -0.41 1.19 -0.69 0.00 0.00 0.00 174.94 174.84 3ncm s VAL 52 N 1.50 3.88 0.63 2.92 1.01 -1.26 -1.60 120.40 127.48 3ncm s VAL 52 Ca 0.03 1.44 -0.06 0.00 0.00 0.00 0.00 61.98 63.39 3ncm s VAL 52 Cb -0.18 -3.92 0.03 0.00 0.00 0.00 0.00 36.38 32.31 3ncm s VAL 52 CO -0.14 0.16 0.94 -0.76 0.00 0.00 0.00 175.10 175.31 3ncm s LEU 53 N 0.52 3.08 0.63 3.92 1.43 -0.30 -4.92 118.68 123.03 3ncm s LEU 53 Ca 0.56 0.62 0.39 0.00 -1.03 0.00 0.00 54.13 54.68 3ncm s LEU 53 Cb -0.30 -3.39 2.12 0.00 0.03 0.00 0.00 46.19 44.65 3ncm s LEU 53 CO 0.32 -1.26 2.29 0.77 0.23 0.00 0.00 176.35 178.70 3ncm h SER 54 N -0.33 0.00 -0.33 2.29 4.64 -1.96 -1.60 113.55 116.26 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 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 3ncm h SER 54 CO 0.60 0.01 0.00 -0.46 -0.87 0.00 0.00 176.83 176.12 3ncm n ASN 55 N -3.28 3.35 -1.68 4.97 6.94 -1.26 -4.90 115.26 119.41 3ncm n ASN 55 Ca -0.02 -2.42 -0.13 0.00 -0.02 0.00 0.00 54.58 51.99 3ncm n ASN 55 Cb 0.11 -0.54 0.01 0.00 -2.36 0.00 0.00 39.78 37.00 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 0.41 -4.15 -4.92 0.53 4.13 -0.60 -4.47 115.26 106.19 3ncm n ASN 56 Ca 0.15 -0.09 -0.21 0.00 1.68 0.00 0.00 54.58 56.11 3ncm n ASN 56 Cb 0.70 -3.19 -0.02 0.00 -1.54 0.00 0.00 39.78 35.72 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 -2.77 3.15 -0.39 3.10 1.51 -1.25 -4.42 117.35 116.27 3ncm s TYR 57 Ca 0.09 -0.17 0.02 0.00 -1.01 0.00 0.00 57.07 56.01 3ncm s TYR 57 Cb -0.04 -1.72 0.11 0.00 -0.11 0.00 0.00 41.96 40.20 3ncm s TYR 57 CO 0.11 0.26 0.13 -1.17 -1.11 0.00 0.00 175.55 173.77 3ncm s LEU 58 N -4.01 4.84 -0.76 -1.29 2.96 -0.98 -1.15 118.68 118.29 3ncm s LEU 58 Ca 0.39 -2.27 -0.26 0.00 -0.22 0.00 0.00 54.13 51.77 3ncm s LEU 58 Cb -0.08 -1.68 0.02 0.00 0.50 0.00 0.00 46.19 44.94 3ncm s LEU 58 CO 0.28 -0.40 1.48 -1.10 -1.32 0.00 0.00 176.35 175.29 3ncm s GLN 59 N 0.76 3.08 -0.26 1.98 -0.21 -0.62 -0.98 119.66 123.40 3ncm s GLN 59 Ca 0.11 -0.17 -0.21 0.00 0.02 0.00 0.00 55.36 55.11 3ncm s GLN 59 Cb -0.21 -4.45 -0.02 0.00 1.00 0.00 0.00 33.01 29.34 3ncm s GLN 59 CO -0.06 -2.37 0.66 0.42 -2.12 0.00 0.00 175.29 171.82 3ncm s ILE 60 N 6.67 4.96 -0.34 1.08 1.01 0.97 -1.64 121.20 133.91 3ncm s ILE 60 Ca 0.46 1.16 -0.29 0.00 0.00 0.00 0.00 60.65 61.98 3ncm s ILE 60 Cb -0.08 -3.97 0.02 0.00 0.01 0.00 0.00 42.46 38.44 3ncm s ILE 60 CO 0.12 -0.01 1.08 -0.60 0.00 0.00 0.00 174.94 175.53 3ncm s ARG 61 N 2.57 4.01 0.00 2.79 6.06 -0.62 -0.64 118.95 133.12 3ncm s ARG 61 Ca 0.27 0.98 0.00 0.00 -2.50 0.00 0.00 55.73 54.49 3ncm s ARG 61 Cb -0.15 -3.76 0.00 0.00 0.06 0.00 0.00 34.95 31.09 3ncm s ARG 61 CO 0.09 -0.97 0.00 0.41 -2.50 0.00 0.00 175.30 172.32 3ncm n GLY 62 N 4.03 2.89 3.58 8.12 0.00 0.18 -4.78 105.19 119.21 3ncm n GLY 62 Ca 0.12 -0.25 -0.25 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.98 -1.01 -0.61 0.13 -1.02 0.11 119.36 113.98 3ncm n ILE 63 Ca 0.00 0.01 -0.32 0.00 -1.10 0.00 0.00 62.75 61.34 3ncm n ILE 63 Cb 0.00 -2.67 0.13 0.00 -0.84 0.00 0.00 39.64 36.26 3ncm n ILE 63 CO 0.00 0.00 0.00 -0.54 2.80 0.00 0.00 176.55 178.81 3ncm s LYS 64 N -4.17 1.57 0.57 9.51 1.02 -1.26 -3.59 119.74 123.39 3ncm s LYS 64 Ca 0.07 1.54 0.31 0.00 0.02 0.00 0.00 55.97 57.91 3ncm s LYS 64 Cb -0.01 -1.79 1.74 0.00 -0.52 0.00 0.00 37.83 37.26 3ncm s LYS 64 CO 0.80 -2.22 2.19 -0.22 -0.92 0.00 0.00 175.35 174.98 3ncm h LYS 65 N -1.29 0.00 0.00 1.68 3.64 -1.90 -1.50 116.57 117.20 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 1.27 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 3ncm h LYS 65 CO 0.46 0.05 -0.23 1.79 -2.27 0.00 0.00 179.45 179.25 3ncm h THR 66 N 0.00 0.00 0.00 1.00 1.35 -1.94 -3.28 112.91 110.04 3ncm h THR 66 Ca -0.00 -0.59 -0.05 0.00 -0.55 0.00 0.00 66.41 65.22 3ncm h THR 66 Cb 0.16 1.45 -0.01 0.00 -1.73 0.00 0.00 68.15 68.02 3ncm h THR 66 CO 0.01 0.00 -0.99 0.44 -0.25 0.00 0.00 175.52 174.72 3ncm h ASP 67 N 0.00 0.00 -4.12 5.36 3.32 -1.62 -3.47 116.42 115.89 3ncm h ASP 67 Ca 0.00 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.53 3ncm h ASP 67 Cb 0.80 0.00 0.11 0.00 0.22 0.00 0.00 39.33 40.45 3ncm h ASP 67 CO 0.00 0.17 0.44 -1.83 -1.72 0.00 0.00 179.24 176.30 3ncm s GLU 68 N -3.22 2.96 0.00 3.56 -1.05 -1.18 -4.74 118.70 115.04 3ncm s GLU 68 Ca -0.00 1.70 0.00 0.00 -0.15 0.00 0.00 54.97 56.52 3ncm s GLU 68 Cb 0.09 -1.94 0.00 0.00 -0.44 0.00 0.00 34.13 31.84 3ncm s GLU 68 CO 0.78 -1.18 0.00 0.41 0.95 0.00 0.00 175.26 176.22 3ncm n GLY 69 N 0.26 -0.64 2.58 -3.83 0.00 0.19 -4.96 105.19 98.79 3ncm n GLY 69 Ca 0.13 0.32 -0.29 0.00 0.00 0.00 0.00 46.02 46.17 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 0.12 0.09 2.61 2.01 -1.26 0.21 115.64 119.41 3ncm s THR 70 Ca 0.00 -0.85 -0.27 0.00 0.31 0.00 0.00 61.69 60.88 3ncm s THR 70 Cb 0.00 -1.09 -0.06 0.00 0.01 0.00 0.00 72.50 71.35 3ncm s THR 70 CO 0.00 -0.69 0.83 -0.31 -0.69 0.00 0.00 174.62 173.75 3ncm s TYR 71 N 2.01 3.79 -0.27 4.92 1.51 0.18 -4.71 117.35 124.79 3ncm s TYR 71 Ca 0.09 1.60 -0.09 0.00 -1.01 0.00 0.00 57.07 57.66 3ncm s TYR 71 Cb -0.16 -2.88 -0.03 0.00 -0.11 0.00 0.00 41.96 38.77 3ncm s TYR 71 CO -0.33 0.30 0.12 0.50 -1.11 0.00 0.00 175.55 175.03 3ncm s ARG 72 N -0.27 3.73 -0.15 -0.62 3.52 -0.61 0.45 118.95 125.01 3ncm s ARG 72 Ca 0.40 -0.44 -0.29 0.00 -0.13 0.00 0.00 55.73 55.27 3ncm s ARG 72 Cb -0.22 -3.46 -0.01 0.00 -1.56 0.00 0.00 34.95 29.70 3ncm s ARG 72 CO 0.26 -0.21 1.09 0.00 -0.81 0.00 0.00 175.30 175.63 3ncm s GLU 74 N 2.70 2.16 -0.13 0.00 2.02 -0.41 -1.47 118.70 123.56 3ncm s GLU 74 Ca 0.49 -2.96 -0.29 0.00 0.02 0.00 0.00 54.97 52.22 3ncm s GLU 74 Cb -0.19 -3.24 -0.04 0.00 0.10 0.00 0.00 34.13 30.76 3ncm s GLU 74 CO 0.14 -1.22 1.68 0.20 0.02 0.00 0.00 175.26 176.08 3ncm s GLY 75 N -0.88 1.34 -0.00 -1.39 0.00 0.15 -0.43 107.32 106.11 3ncm s GLY 75 Ca 0.22 0.75 0.02 0.00 0.00 0.00 0.00 44.72 45.71 3ncm s GLY 75 CO -0.10 3.09 -0.07 -1.60 0.00 0.00 0.00 173.10 174.42 3ncm s ARG 76 N 4.46 0.56 -0.04 2.90 3.52 0.62 -0.97 118.95 130.01 3ncm s ARG 76 Ca 0.75 -0.29 0.06 0.00 -0.13 0.00 0.00 55.73 56.11 3ncm s ARG 76 Cb -0.30 -0.53 -0.01 0.00 -1.56 0.00 0.00 34.95 32.55 3ncm s ARG 76 CO 0.30 0.14 -0.22 0.42 -0.81 0.00 0.00 175.30 175.13 3ncm s ILE 77 N -0.27 1.79 -0.19 4.11 1.01 -0.67 -2.57 121.20 124.42 3ncm s ILE 77 Ca 0.02 -0.94 -0.14 0.00 0.00 0.00 0.00 60.65 59.58 3ncm s ILE 77 Cb -0.03 -1.51 -0.21 0.00 0.01 0.00 0.00 42.46 40.72 3ncm s ILE 77 CO -0.00 0.51 0.18 0.18 0.00 0.00 0.00 174.94 175.81 3ncm n LEU 78 N 2.78 2.22 0.39 2.97 4.77 -1.26 -1.76 117.00 127.11 3ncm n LEU 78 Ca -0.17 0.30 -0.18 0.00 -0.03 0.00 0.00 56.01 55.93 3ncm n LEU 78 Cb 0.52 -1.00 -0.09 0.00 -2.33 0.00 0.00 43.42 40.52 3ncm n LEU 78 CO 0.24 0.55 0.61 0.00 -1.33 0.00 0.00 177.39 177.47 3ncm h ALA 79 N -0.32 -1.03 -1.15 -1.18 0.00 -2.00 -2.91 119.26 110.67 3ncm h ALA 79 Ca -0.43 -0.22 -0.80 0.00 0.00 0.00 0.00 54.91 53.47 3ncm h ALA 79 Cb 1.63 0.45 -0.25 0.00 0.00 0.00 0.00 17.79 19.63 3ncm h ALA 79 CO -0.12 -1.09 1.22 0.54 0.00 0.00 0.00 179.25 179.80 3ncm n ARG 80 N -5.54 5.15 0.00 0.00 1.74 -1.26 -4.97 116.66 111.78 3ncm n ARG 80 Ca -0.14 -4.42 0.00 0.00 -0.77 0.00 0.00 57.85 52.53 3ncm n ARG 80 Cb 0.42 -2.48 0.00 0.00 -1.02 0.00 0.00 32.46 29.39 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 0.15 0.00 3.33 -0.13 0.00 -1.10 -4.75 105.19 102.69 3ncm n GLY 81 Ca 0.50 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.22 3ncm n GLY 81 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ncm s GLU 82 N 0.00 1.81 -0.44 1.61 2.12 -0.73 -4.96 118.70 118.12 3ncm s GLU 82 Ca 0.00 -1.07 0.04 0.00 0.36 0.00 0.00 54.97 54.30 3ncm s GLU 82 Cb 0.00 -1.95 0.17 0.00 0.26 0.00 0.00 34.13 32.61 3ncm s GLU 82 CO 0.00 0.51 0.35 0.96 -0.54 0.00 0.00 175.26 176.54 3ncm s ILE 83 N -0.77 0.58 0.14 -3.70 -4.36 -1.26 -1.67 121.20 110.16 3ncm s ILE 83 Ca 0.11 -2.80 -0.03 0.00 -0.26 0.00 0.00 60.65 57.68 3ncm s ILE 83 Cb -0.10 -1.41 -0.05 0.00 1.25 0.00 0.00 42.46 42.15 3ncm s ILE 83 CO 0.02 -1.21 0.35 0.20 0.24 0.00 0.00 174.94 174.53 3ncm s ASN 84 N -0.08 6.44 0.18 4.36 -0.87 -0.14 -4.95 114.94 119.88 3ncm s ASN 84 Ca 0.32 0.47 -0.23 0.00 -1.57 0.00 0.00 52.86 51.85 3ncm s ASN 84 Cb 0.03 -2.04 0.07 0.00 -0.02 0.00 0.00 41.25 39.29 3ncm s ASN 84 CO -0.19 0.05 1.00 0.72 -2.57 0.00 0.00 177.10 176.11 3ncm s PHE 85 N -1.68 -0.01 -0.06 2.20 -0.12 -1.26 0.34 117.98 117.38 3ncm s PHE 85 Ca 0.39 -0.36 -0.29 0.00 -0.05 0.00 0.00 56.93 56.62 3ncm s PHE 85 Cb -0.12 0.68 0.11 0.00 -0.63 0.00 0.00 43.02 43.06 3ncm s PHE 85 CO 0.26 -0.91 0.89 -1.59 -0.05 0.00 0.00 175.22 173.83 3ncm s LYS 86 N -2.64 0.78 -0.25 1.99 -2.85 -0.54 -4.98 119.74 111.24 3ncm s LYS 86 Ca 0.17 -0.07 -0.18 0.00 -1.00 0.00 0.00 55.97 54.88 3ncm s LYS 86 Cb -0.02 0.36 -0.03 0.00 -2.06 0.00 0.00 37.83 36.09 3ncm s LYS 86 CO 0.04 -0.30 0.54 0.16 0.10 0.00 0.00 175.35 175.89 3ncm s ASP 87 N -1.83 6.47 -0.26 0.03 -4.77 -1.26 -1.09 116.67 113.96 3ncm s ASP 87 Ca 0.00 0.57 -0.09 0.00 -3.30 0.00 0.00 52.55 49.73 3ncm s ASP 87 Cb -0.01 -2.29 -0.04 0.00 -1.09 0.00 0.00 42.92 39.49 3ncm s ASP 87 CO -0.03 -0.29 0.13 -0.63 0.70 0.00 0.00 175.17 175.05 3ncm s ILE 88 N 2.29 4.84 -0.35 2.11 1.09 0.17 -4.84 121.20 126.51 3ncm s ILE 88 Ca 0.22 0.01 -0.23 0.00 -1.10 0.00 0.00 60.65 59.55 3ncm s ILE 88 Cb -0.16 -3.28 0.01 0.00 -1.06 0.00 0.00 42.46 37.97 3ncm s ILE 88 CO 0.09 0.30 0.77 -1.10 -0.10 0.00 0.00 174.94 174.90 3ncm s GLN 89 N 1.62 3.77 -0.13 2.79 -0.21 0.96 0.50 119.66 128.97 3ncm s GLN 89 Ca 0.07 0.32 -0.03 0.00 0.02 0.00 0.00 55.36 55.73 3ncm s GLN 89 Cb -0.15 -3.80 -0.03 0.00 1.00 0.00 0.00 33.01 30.03 3ncm s GLN 89 CO 0.07 -0.81 -0.02 0.08 -2.12 0.00 0.00 175.29 172.49 3ncm s VAL 90 N 3.04 4.10 0.18 1.09 1.01 0.13 0.95 120.40 130.89 3ncm s VAL 90 Ca 0.31 -0.30 0.08 0.00 0.00 0.00 0.00 61.98 62.07 3ncm s VAL 90 Cb -0.13 -2.77 -0.04 0.00 0.00 0.00 0.00 36.38 33.43 3ncm s VAL 90 CO 0.16 0.53 -0.17 -0.63 0.00 0.00 0.00 175.10 174.99 3ncm s ILE 91 N -0.12 1.78 0.00 2.22 1.01 -0.54 0.52 121.20 126.08 3ncm s ILE 91 Ca 0.03 -2.01 0.00 0.00 0.00 0.00 0.00 60.65 58.68 3ncm s ILE 91 Cb -0.13 -1.89 0.00 0.00 0.01 0.00 0.00 42.46 40.45 3ncm s ILE 91 CO 0.02 -0.41 0.00 0.55 0.00 0.00 0.00 174.94 175.11