#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 -0.55 -0.16 2.97 1.01 -1.24 0.51 120.40 122.93 3ncm s VAL 2 Ca 0.00 -0.22 0.01 0.00 0.00 0.00 0.00 61.98 61.78 3ncm s VAL 2 Cb 0.00 -0.88 0.01 0.00 0.00 0.00 0.00 36.38 35.51 3ncm s VAL 2 CO 0.00 -0.24 -0.20 0.00 0.00 0.00 0.00 175.10 174.66 3ncm s MET 3 N 2.49 3.04 0.22 2.72 0.23 -0.84 -4.93 119.30 122.23 3ncm s MET 3 Ca 0.11 -0.82 -0.30 0.00 -1.03 0.00 0.00 55.69 53.64 3ncm s MET 3 Cb -0.14 -2.53 -0.08 0.00 -1.53 0.00 0.00 34.83 30.54 3ncm s MET 3 CO -0.23 -0.10 1.15 -0.06 -2.03 0.00 0.00 175.02 173.75 3ncm s PHE 4 N 1.03 3.50 0.08 3.16 0.40 -1.26 -0.83 117.98 124.06 3ncm s PHE 4 Ca -0.02 1.55 0.01 0.00 -0.60 0.00 0.00 56.93 57.88 3ncm s PHE 4 Cb -0.14 -3.36 -0.04 0.00 0.51 0.00 0.00 43.02 39.99 3ncm s PHE 4 CO -0.06 -0.88 -0.06 -1.59 0.70 0.00 0.00 175.22 173.33 3ncm s LYS 5 N -0.68 0.74 -0.17 0.44 -2.85 0.86 -4.91 119.74 113.17 3ncm s LYS 5 Ca 0.49 -1.21 -0.15 0.00 -1.00 0.00 0.00 55.97 54.10 3ncm s LYS 5 Cb -0.32 -0.16 0.02 0.00 -2.06 0.00 0.00 37.83 35.32 3ncm s LYS 5 CO 0.38 -0.02 0.26 -1.71 0.10 0.00 0.00 175.35 174.36 3ncm n ASN 6 N 0.26 -3.82 -3.24 0.03 5.15 -1.26 -1.11 115.26 111.27 3ncm n ASN 6 Ca -0.14 0.04 -0.21 0.00 -0.60 0.00 0.00 54.58 53.67 3ncm n ASN 6 Cb 0.60 -1.02 -0.07 0.00 -0.53 0.00 0.00 39.78 38.75 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 -0.82 0.44 -0.44 5.20 0.00 -1.26 -1.12 121.76 123.77 3ncm s ALA 7 Ca 0.15 -1.87 -0.27 0.00 0.00 0.00 0.00 51.96 49.96 3ncm s ALA 7 Cb -0.02 -1.88 -0.03 0.00 0.00 0.00 0.00 23.12 21.19 3ncm s ALA 7 CO 0.34 -2.05 1.93 -1.25 0.00 0.00 0.00 175.76 174.72 3ncm s PRO 8 N 0.36 2.92 0.02 0.00 0.05 -1.26 -4.92 135.00 132.18 3ncm s PRO 8 Ca 0.31 1.19 -0.10 0.00 0.05 0.00 0.00 61.00 62.45 3ncm s PRO 8 Cb 0.01 -4.32 -0.05 0.00 0.05 0.00 0.00 34.50 30.19 3ncm s PRO 8 CO -0.15 -2.35 1.16 1.79 0.05 0.00 0.00 177.00 177.50 3ncm h THR 9 N 6.97 0.00 -1.04 1.26 1.35 -1.89 -3.35 112.91 116.22 3ncm h THR 9 Ca -0.30 0.00 -0.38 0.00 -0.55 0.00 0.00 66.41 65.18 3ncm h THR 9 Cb 1.18 0.00 -0.05 0.00 -1.73 0.00 0.00 68.15 67.55 3ncm h THR 9 CO 1.11 0.00 0.95 -2.16 -0.25 0.00 0.00 175.52 175.17 3ncm s PRO 10 N -3.81 2.73 0.35 4.72 0.05 -1.25 -0.22 135.00 137.58 3ncm s PRO 10 Ca -0.05 -0.25 0.07 0.00 0.05 0.00 0.00 61.00 60.82 3ncm s PRO 10 Cb 0.01 -4.96 -0.01 0.00 0.05 0.00 0.00 34.50 29.59 3ncm s PRO 10 CO 0.17 -3.07 0.46 1.14 0.05 0.00 0.00 177.00 175.74 3ncm s GLN 11 N 6.70 2.98 -0.20 4.56 -2.07 0.18 -4.97 119.66 126.85 3ncm s GLN 11 Ca 0.65 -1.12 -0.07 0.00 -1.82 0.00 0.00 55.36 53.00 3ncm s GLN 11 Cb -0.07 -2.74 0.09 0.00 -1.09 0.00 0.00 33.01 29.20 3ncm s GLN 11 CO 0.02 -0.01 0.43 -2.00 -1.32 0.00 0.00 175.29 172.41 3ncm s GLU 12 N -4.18 0.33 0.11 9.60 2.12 -1.26 -1.41 118.70 124.02 3ncm s GLU 12 Ca 0.46 1.03 0.00 0.00 0.36 0.00 0.00 54.97 56.83 3ncm s GLU 12 Cb -0.09 0.33 0.00 0.00 0.26 0.00 0.00 34.13 34.63 3ncm s GLU 12 CO 0.31 -0.24 0.03 1.19 -0.54 0.00 0.00 175.26 176.00 3ncm n PHE 13 N 5.32 -0.35 -3.96 5.30 3.01 -0.59 -4.97 117.46 121.21 3ncm n PHE 13 Ca -0.09 -0.51 -0.36 0.00 1.01 0.00 0.00 57.45 57.49 3ncm n PHE 13 Cb 0.50 -0.08 -0.06 0.00 -0.01 0.00 0.00 39.48 39.82 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 -2.42 3.36 0.07 -1.08 2.20 -1.26 -4.48 119.74 116.12 3ncm s LYS 14 Ca 0.02 -0.20 -0.31 0.00 -0.36 0.00 0.00 55.97 55.12 3ncm s LYS 14 Cb -0.00 -3.11 -0.10 0.00 -1.51 0.00 0.00 37.83 33.11 3ncm s LYS 14 CO 0.02 0.75 1.92 -0.85 -0.36 0.00 0.00 175.35 176.82 3ncm n GLU 15 N 1.88 2.80 -1.06 4.03 0.28 -1.26 -1.58 120.64 125.73 3ncm n GLU 15 Ca -0.19 1.02 0.00 0.00 -0.16 0.00 0.00 57.16 57.84 3ncm n GLU 15 Cb 0.54 -2.95 0.00 0.00 1.43 0.00 0.00 31.44 30.47 3ncm n GLU 15 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3ncm n GLY 16 N 4.41 0.47 3.72 -1.84 0.00 0.27 -5.03 105.19 107.20 3ncm n GLY 16 Ca 0.19 -0.94 -0.23 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.15 2.37 -0.72 1.61 2.12 0.11 -4.57 118.70 117.47 3ncm s GLU 17 Ca 0.00 -1.53 -0.25 0.00 0.36 0.00 0.00 54.97 53.55 3ncm s GLU 17 Cb 0.00 -2.17 0.04 0.00 0.26 0.00 0.00 34.13 32.26 3ncm s GLU 17 CO 0.00 0.14 1.17 -0.51 -0.54 0.00 0.00 175.26 175.53 3ncm s ASP 18 N -3.82 6.17 0.44 -1.70 1.11 -1.26 0.63 116.67 118.23 3ncm s ASP 18 Ca 0.37 -0.65 0.08 0.00 0.18 0.00 0.00 52.55 52.53 3ncm s ASP 18 Cb -0.03 -2.51 0.01 0.00 1.07 0.00 0.00 42.92 41.46 3ncm s ASP 18 CO 0.22 -1.70 0.55 0.00 1.18 0.00 0.00 175.17 175.43 3ncm s ALA 19 N 5.15 4.45 -0.02 5.23 0.00 -0.01 -4.89 121.76 131.66 3ncm s ALA 19 Ca 0.31 -1.76 -0.03 0.00 0.00 0.00 0.00 51.96 50.48 3ncm s ALA 19 Cb -0.11 -1.47 0.00 0.00 0.00 0.00 0.00 23.12 21.55 3ncm s ALA 19 CO 0.13 -0.33 0.07 0.08 0.00 0.00 0.00 175.76 175.70 3ncm s VAL 20 N -2.42 0.01 -0.39 0.00 1.01 -1.26 0.02 120.40 117.38 3ncm s VAL 20 Ca 0.54 -0.10 -0.18 0.00 0.00 0.00 0.00 61.98 62.24 3ncm s VAL 20 Cb -0.08 -0.14 0.01 0.00 0.00 0.00 0.00 36.38 36.17 3ncm s VAL 20 CO 0.32 -0.06 0.48 -0.63 0.00 0.00 0.00 175.10 175.21 3ncm s ILE 21 N -0.15 5.04 -0.12 2.22 1.01 0.46 -4.85 121.20 124.82 3ncm s ILE 21 Ca -0.02 -0.01 -0.29 0.00 0.00 0.00 0.00 60.65 60.32 3ncm s ILE 21 Cb -0.02 -4.01 -0.03 0.00 0.01 0.00 0.00 42.46 38.42 3ncm s ILE 21 CO 0.00 -0.33 1.30 -0.69 0.00 0.00 0.00 174.94 175.22 3ncm s VAL 22 N 2.30 4.16 -0.35 2.92 1.01 -1.26 -2.27 120.40 126.90 3ncm s VAL 22 Ca 0.16 1.43 0.02 0.00 0.00 0.00 0.00 61.98 63.59 3ncm s VAL 22 Cb -0.16 -3.92 0.19 0.00 0.00 0.00 0.00 36.38 32.48 3ncm s VAL 22 CO 0.14 -0.09 0.75 0.00 0.00 0.00 0.00 175.10 175.90 3ncm s ASP 24 N 2.24 6.87 -0.06 0.00 1.01 -0.26 -4.35 116.67 122.12 3ncm s ASP 24 Ca 0.16 1.08 -0.05 0.00 0.71 0.00 0.00 52.55 54.45 3ncm s ASP 24 Cb -0.04 -2.29 0.02 0.00 1.01 0.00 0.00 42.92 41.62 3ncm s ASP 24 CO -0.15 0.20 0.16 -0.69 0.21 0.00 0.00 175.17 174.91 3ncm s VAL 25 N -1.28 -0.01 -0.99 -1.27 1.01 -1.26 -0.10 120.40 116.50 3ncm s VAL 25 Ca 0.32 0.03 -0.05 0.00 0.00 0.00 0.00 61.98 62.28 3ncm s VAL 25 Cb -0.17 -0.24 0.25 0.00 0.00 0.00 0.00 36.38 36.23 3ncm s VAL 25 CO 0.18 0.01 0.95 0.52 0.00 0.00 0.00 175.10 176.76 3ncm n VAL 26 N 3.21 3.73 -2.15 2.92 0.31 -0.01 -4.91 118.33 121.43 3ncm n VAL 26 Ca -0.15 -5.26 -0.27 0.00 -0.01 0.00 0.00 64.34 58.65 3ncm n VAL 26 Cb 0.58 -2.45 0.07 0.00 -0.91 0.00 0.00 33.84 31.13 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 0.32 4.85 0.00 4.52 0.01 -1.26 -1.99 113.70 120.14 3ncm s SER 27 Ca 0.29 0.56 0.00 0.00 1.31 0.00 0.00 55.95 58.11 3ncm s SER 27 Cb -0.07 -1.21 0.00 0.00 0.21 0.00 0.00 66.02 64.95 3ncm s SER 27 CO -0.10 -1.60 0.68 -0.24 0.41 0.00 0.00 173.24 172.40 3ncm n SER 28 N -2.97 0.00 0.07 2.44 2.88 0.18 -4.86 113.62 111.36 3ncm n SER 28 Ca 0.08 0.68 0.00 0.00 -1.33 0.00 0.00 58.87 58.30 3ncm n SER 28 Cb 0.60 -0.18 0.00 0.00 -0.75 0.00 0.00 64.21 63.88 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 -1.55 -1.17 0.20 2.46 4.77 -1.26 -5.03 117.00 115.43 3ncm n LEU 29 Ca 0.00 0.49 -0.15 0.00 -0.03 0.00 0.00 56.01 56.32 3ncm n LEU 29 Cb 0.00 1.37 -0.08 0.00 -2.33 0.00 0.00 43.42 42.38 3ncm n LEU 29 CO 0.00 0.05 0.76 1.55 -1.33 0.00 0.00 177.39 178.41 3ncm h PRO 30 N 0.00 -0.43 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 -0.28 0.00 -0.35 0.14 0.00 0.00 178.00 177.51 3ncm n PRO 31 N -5.28 -0.00 -0.96 1.56 -0.05 -1.26 -5.09 135.00 123.91 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 -1.60 0.00 -3.63 0.52 -1.04 -1.06 -4.99 114.28 102.49 3ncm n THR 32 Ca 0.00 0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 61.79 3ncm n THR 32 Cb 0.00 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.50 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 -2.49 4.94 -0.11 12.58 2.07 -1.26 -0.47 121.20 136.47 3ncm s ILE 33 Ca 0.00 -0.78 0.01 0.00 -1.41 0.00 0.00 60.65 58.47 3ncm s ILE 33 Cb 0.00 -3.77 0.02 0.00 0.13 0.00 0.00 42.46 38.84 3ncm s ILE 33 CO 0.00 -0.38 -0.14 -0.63 -1.91 0.00 0.00 174.94 171.88 3ncm s ILE 34 N -2.17 1.38 -0.54 2.00 1.01 0.95 -4.87 121.20 118.97 3ncm s ILE 34 Ca 0.39 -0.56 -0.23 0.00 0.00 0.00 0.00 60.65 60.24 3ncm s ILE 34 Cb -0.09 -1.29 0.04 0.00 0.01 0.00 0.00 42.46 41.13 3ncm s ILE 34 CO 0.32 0.42 0.89 0.26 0.00 0.00 0.00 174.94 176.83 3ncm s TRP 35 N 1.10 2.84 0.16 3.97 0.52 -1.26 -1.28 118.94 124.99 3ncm s TRP 35 Ca -0.05 -0.08 0.01 0.00 0.02 0.00 0.00 56.10 56.00 3ncm s TRP 35 Cb -0.14 -3.98 0.01 0.00 -1.15 0.00 0.00 33.47 28.21 3ncm s TRP 35 CO -0.03 -1.29 0.09 1.17 0.02 0.00 0.00 176.95 176.92 3ncm n LYS 36 N 7.24 1.34 -1.34 4.98 4.81 -0.62 -2.17 118.16 132.40 3ncm n LYS 36 Ca 0.01 -1.05 0.00 0.00 -0.87 0.00 0.00 58.31 56.40 3ncm n LYS 36 Cb 0.47 0.16 0.00 0.00 0.02 0.00 0.00 35.03 35.68 3ncm n LYS 36 CO 0.00 0.00 0.00 1.58 1.17 0.00 0.00 177.40 180.15 3ncm n HIS 37 N -0.77 -3.69 -2.26 5.64 -0.00 -1.26 -1.53 115.22 111.36 3ncm n HIS 37 Ca -0.02 1.99 -0.16 0.00 0.46 0.00 0.00 57.72 59.99 3ncm n HIS 37 Cb 0.19 -3.15 -0.02 0.00 -0.12 0.00 0.00 29.99 26.90 3ncm n HIS 37 CO 0.00 0.00 0.00 1.17 0.46 0.00 0.00 176.34 177.97 3ncm n LYS 38 N -2.00 -1.90 0.00 1.57 3.00 -1.26 -3.76 118.16 113.80 3ncm n LYS 38 Ca 0.00 0.79 0.00 0.00 -0.00 0.00 0.00 58.31 59.10 3ncm n LYS 38 Cb 0.29 -5.36 0.00 0.00 0.00 0.00 0.00 35.03 29.97 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 -0.79 0.41 2.50 3.14 0.00 -1.26 -5.06 105.19 104.14 3ncm n GLY 39 Ca -0.18 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.81 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 -4.15 -3.24 1.61 3.00 -1.25 -4.60 116.66 108.04 3ncm n ARG 40 Ca 0.00 3.09 -0.07 0.00 -0.01 0.00 0.00 57.85 60.86 3ncm n ARG 40 Cb 0.00 -4.14 0.00 0.00 0.00 0.00 0.00 32.46 28.32 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 1.89 -7.06 0.01 0.55 8.00 -1.17 -4.91 116.55 113.85 3ncm n ASP 41 Ca -0.19 -0.28 -0.05 0.00 0.71 0.00 0.00 54.79 54.99 3ncm n ASP 41 Cb 0.29 -4.38 0.16 0.00 -0.02 0.00 0.00 41.12 37.16 3ncm n ASP 41 CO 0.00 0.00 0.00 -0.37 -0.39 0.00 0.00 177.20 176.44 3ncm h VAL 42 N 0.33 1.28 0.00 2.53 -1.51 -1.69 -2.74 116.25 114.45 3ncm h VAL 42 Ca -0.16 -1.40 0.00 0.00 -1.23 0.00 0.00 66.70 63.91 3ncm h VAL 42 Cb 1.10 1.44 0.00 0.00 -2.13 0.00 0.00 31.29 31.70 3ncm h VAL 42 CO 0.31 0.44 0.00 0.40 -1.23 0.00 0.00 177.57 177.50 3ncm h ILE 43 N 0.44 0.00 0.00 7.19 2.04 -1.91 0.21 117.51 125.48 3ncm h ILE 43 Ca 0.05 -0.02 -0.03 0.00 1.00 0.00 0.00 64.86 65.86 3ncm h ILE 43 Cb 0.77 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.73 3ncm h ILE 43 CO 0.06 0.00 -1.23 0.18 0.00 0.00 0.00 178.15 177.16 3ncm n LEU 44 N -2.86 0.71 -0.11 1.44 4.32 -1.04 -4.31 117.00 115.15 3ncm n LEU 44 Ca -0.02 0.28 -0.17 0.00 -0.02 0.00 0.00 56.01 56.08 3ncm n LEU 44 Cb 0.07 -0.02 -0.13 0.00 -1.62 0.00 0.00 43.42 41.72 3ncm n LEU 44 CO 0.18 -0.10 -1.25 2.29 -1.22 0.00 0.00 177.39 177.28 3ncm n LYS 45 N -2.64 0.67 -3.81 3.23 2.85 -0.62 -5.02 118.16 112.81 3ncm n LYS 45 Ca -0.02 0.14 -0.31 0.00 -1.05 0.00 0.00 58.31 57.06 3ncm n LYS 45 Cb 0.60 -1.54 0.02 0.00 -0.65 0.00 0.00 35.03 33.46 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 -3.19 -1.80 -0.62 -1.58 4.76 0.64 -4.93 118.16 111.44 3ncm n LYS 46 Ca -0.42 0.40 -0.27 0.00 -2.87 0.00 0.00 58.31 55.15 3ncm n LYS 46 Cb 1.02 -4.08 0.16 0.00 -1.84 0.00 0.00 35.03 30.29 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 -2.72 0.28 4.39 8.00 -1.26 -4.80 116.55 117.72 3ncm n ASP 47 Ca -0.17 -0.25 0.19 0.00 0.71 0.00 0.00 54.79 55.27 3ncm n ASP 47 Cb 0.62 -0.85 0.99 0.00 -0.02 0.00 0.00 41.12 41.86 3ncm n ASP 47 CO 0.00 0.00 0.00 -0.37 -0.39 0.00 0.00 177.20 176.44 3ncm h VAL 48 N -2.30 0.00 -1.24 2.53 -1.51 -2.01 -3.09 116.25 108.63 3ncm h VAL 48 Ca -0.41 -0.06 -0.51 0.00 -1.23 0.00 0.00 66.70 64.50 3ncm h VAL 48 Cb 1.13 0.91 -0.42 0.00 -2.13 0.00 0.00 31.29 30.78 3ncm h VAL 48 CO 0.28 0.00 -0.88 -2.11 -1.23 0.00 0.00 177.57 173.63 3ncm n ARG 49 N -2.84 2.79 -3.49 5.19 1.85 -1.26 -4.91 116.66 113.99 3ncm n ARG 49 Ca -0.02 -4.10 -0.20 0.00 -1.00 0.00 0.00 57.85 52.53 3ncm n ARG 49 Cb 0.09 -1.97 -0.13 0.00 -1.05 0.00 0.00 32.46 29.40 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 -3.45 -0.20 -0.25 2.89 0.40 -1.17 -1.50 117.98 114.69 3ncm s PHE 50 Ca 0.42 -0.06 0.00 0.00 -0.60 0.00 0.00 56.93 56.69 3ncm s PHE 50 Cb 0.41 -0.49 0.07 0.00 0.51 0.00 0.00 43.02 43.53 3ncm s PHE 50 CO -0.10 -0.70 0.01 0.42 0.70 0.00 0.00 175.22 175.55 3ncm s ILE 51 N 2.29 1.28 0.20 0.64 1.01 -0.58 -4.61 121.20 121.43 3ncm s ILE 51 Ca 0.07 -1.25 -0.30 0.00 0.00 0.00 0.00 60.65 59.17 3ncm s ILE 51 Cb -0.15 -1.72 -0.08 0.00 0.01 0.00 0.00 42.46 40.52 3ncm s ILE 51 CO -0.20 -0.30 1.09 -0.69 0.00 0.00 0.00 174.94 174.84 3ncm s VAL 52 N 1.48 3.83 0.50 2.92 1.01 -1.26 -1.49 120.40 127.39 3ncm s VAL 52 Ca 0.00 1.63 -0.01 0.00 0.00 0.00 0.00 61.98 63.60 3ncm s VAL 52 Cb -0.18 -4.04 0.01 0.00 0.00 0.00 0.00 36.38 32.16 3ncm s VAL 52 CO -0.11 0.30 0.75 -0.76 0.00 0.00 0.00 175.10 175.29 3ncm s LEU 53 N -0.59 3.47 0.64 3.92 1.43 -0.39 -4.93 118.68 122.23 3ncm s LEU 53 Ca 0.48 0.37 0.41 0.00 -1.03 0.00 0.00 54.13 54.36 3ncm s LEU 53 Cb -0.29 -3.23 2.25 0.00 0.03 0.00 0.00 46.19 44.94 3ncm s LEU 53 CO 0.36 -0.87 2.33 0.77 0.23 0.00 0.00 176.35 179.17 3ncm h SER 54 N 0.18 0.00 -0.33 2.29 4.64 -1.96 -1.51 113.55 116.87 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 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3ncm h SER 54 CO 0.58 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 176.08 3ncm n ASN 55 N -3.25 3.14 -1.41 4.97 6.94 -1.26 -4.89 115.26 119.49 3ncm n ASN 55 Ca -0.03 -2.36 -0.11 0.00 -0.02 0.00 0.00 54.58 52.06 3ncm n ASN 55 Cb 0.09 -0.51 0.00 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 0.42 -3.75 -4.94 0.53 4.13 -0.57 -4.49 115.26 106.60 3ncm n ASN 56 Ca 0.14 -0.05 -0.20 0.00 1.68 0.00 0.00 54.58 56.15 3ncm n ASN 56 Cb 0.64 -2.88 -0.01 0.00 -1.54 0.00 0.00 39.78 35.99 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 -2.65 2.99 -0.33 3.10 1.51 -1.25 -4.46 117.35 116.26 3ncm s TYR 57 Ca 0.05 -0.28 0.03 0.00 -1.01 0.00 0.00 57.07 55.85 3ncm s TYR 57 Cb -0.02 -1.99 0.10 0.00 -0.11 0.00 0.00 41.96 39.94 3ncm s TYR 57 CO 0.06 -0.00 0.07 -1.17 -1.11 0.00 0.00 175.55 173.40 3ncm s LEU 58 N -4.13 4.00 -0.67 -1.29 2.96 -0.96 -1.27 118.68 117.32 3ncm s LEU 58 Ca 0.45 -2.01 -0.27 0.00 -0.22 0.00 0.00 54.13 52.08 3ncm s LEU 58 Cb -0.08 -1.40 0.02 0.00 0.50 0.00 0.00 46.19 45.23 3ncm s LEU 58 CO 0.30 -0.39 1.41 -1.10 -1.32 0.00 0.00 176.35 175.25 3ncm s GLN 59 N 1.11 3.13 -0.33 1.98 -0.21 -0.56 -0.40 119.66 124.37 3ncm s GLN 59 Ca 0.11 0.10 -0.19 0.00 0.02 0.00 0.00 55.36 55.40 3ncm s GLN 59 Cb -0.19 -4.20 -0.01 0.00 1.00 0.00 0.00 33.01 29.62 3ncm s GLN 59 CO -0.13 -2.18 0.54 0.42 -2.12 0.00 0.00 175.29 171.81 3ncm s ILE 60 N 6.39 5.00 -0.32 1.08 1.01 0.10 -1.53 121.20 132.94 3ncm s ILE 60 Ca 0.45 0.51 -0.29 0.00 0.00 0.00 0.00 60.65 61.32 3ncm s ILE 60 Cb -0.09 -3.96 0.01 0.00 0.01 0.00 0.00 42.46 38.43 3ncm s ILE 60 CO 0.19 -0.17 1.21 -0.60 0.00 0.00 0.00 174.94 175.57 3ncm s ARG 61 N 2.44 3.96 0.00 2.79 3.00 -0.56 -0.83 118.95 129.74 3ncm s ARG 61 Ca 0.20 1.15 0.00 0.00 -1.00 0.00 0.00 55.73 56.08 3ncm s ARG 61 Cb -0.15 -3.83 0.00 0.00 0.00 0.00 0.00 34.95 30.97 3ncm s ARG 61 CO 0.13 -1.06 0.00 0.41 0.00 0.00 0.00 175.30 174.78 3ncm n GLY 62 N 4.19 2.94 3.70 8.12 0.00 0.20 -4.77 105.19 119.57 3ncm n GLY 62 Ca 0.14 -0.71 -0.26 0.00 0.00 0.00 0.00 46.02 45.18 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 -3.86 -1.32 -0.61 0.13 -1.10 0.95 119.36 113.56 3ncm n ILE 63 Ca 0.00 0.01 -0.34 0.00 -1.10 0.00 0.00 62.75 61.32 3ncm n ILE 63 Cb 0.00 -3.29 0.10 0.00 -0.84 0.00 0.00 39.64 35.61 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 -4.34 1.99 0.61 9.51 -0.14 -1.26 -3.68 119.74 122.42 3ncm s LYS 64 Ca 0.08 1.69 0.38 0.00 -1.36 0.00 0.00 55.97 56.75 3ncm s LYS 64 Cb -0.01 -1.82 1.99 0.00 -1.68 0.00 0.00 37.83 36.31 3ncm s LYS 64 CO 0.89 -1.93 2.24 -0.22 -0.76 0.00 0.00 175.35 175.56 3ncm h LYS 65 N -0.58 0.00 0.00 1.68 3.64 -1.91 -1.51 116.57 117.90 3ncm h LYS 65 Ca -0.47 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 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 0.49 0.02 -0.36 0.25 -2.27 0.00 0.00 179.45 177.58 3ncm n THR 66 N -3.27 0.37 1.13 1.00 -2.24 -1.26 -3.69 114.28 106.31 3ncm n THR 66 Ca -0.02 -0.23 0.12 0.00 -2.27 0.00 0.00 64.05 61.65 3ncm n THR 66 Cb 0.15 -0.27 0.24 0.00 -2.10 0.00 0.00 70.33 68.35 3ncm n THR 66 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3ncm n ASP 67 N -2.05 1.11 -4.64 3.42 9.92 -0.57 -4.94 116.55 118.80 3ncm n ASP 67 Ca 0.05 -0.89 -0.29 0.00 -0.53 0.00 0.00 54.79 53.12 3ncm n ASP 67 Cb 0.42 0.30 0.12 0.00 -0.64 0.00 0.00 41.12 41.32 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 -2.64 1.51 0.00 -1.24 4.04 -1.22 -4.90 118.70 114.26 3ncm s GLU 68 Ca 0.19 -0.07 0.00 0.00 0.04 0.00 0.00 54.97 55.13 3ncm s GLU 68 Cb 0.18 -1.92 0.00 0.00 0.02 0.00 0.00 34.13 32.42 3ncm s GLU 68 CO 0.60 -1.88 0.00 0.41 -1.84 0.00 0.00 175.26 172.55 3ncm n GLY 69 N -3.47 0.34 2.64 -3.83 0.00 0.11 -4.96 105.19 96.02 3ncm n GLY 69 Ca 0.10 -0.24 -0.24 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.22 -0.05 2.61 2.01 -1.26 -0.75 115.64 117.99 3ncm s THR 70 Ca 0.00 -0.59 -0.26 0.00 0.31 0.00 0.00 61.69 61.15 3ncm s THR 70 Cb 0.00 -0.95 -0.03 0.00 0.01 0.00 0.00 72.50 71.53 3ncm s THR 70 CO 0.00 -0.58 0.83 -0.31 -0.69 0.00 0.00 174.62 173.87 3ncm s TYR 71 N 2.22 3.60 -0.28 4.92 1.51 0.17 -4.43 117.35 125.06 3ncm s TYR 71 Ca 0.09 1.43 -0.16 0.00 -1.01 0.00 0.00 57.07 57.42 3ncm s TYR 71 Cb -0.15 -2.95 -0.03 0.00 -0.11 0.00 0.00 41.96 38.72 3ncm s TYR 71 CO -0.33 0.02 0.42 0.50 -1.11 0.00 0.00 175.55 175.05 3ncm s ARG 72 N 1.00 3.96 -0.15 -0.62 3.52 -0.58 -0.48 118.95 125.60 3ncm s ARG 72 Ca 0.43 0.06 -0.28 0.00 -0.13 0.00 0.00 55.73 55.81 3ncm s ARG 72 Cb -0.19 -3.68 -0.01 0.00 -1.56 0.00 0.00 34.95 29.51 3ncm s ARG 72 CO 0.22 -0.35 0.94 0.00 -0.81 0.00 0.00 175.30 175.30 3ncm s GLU 74 N 2.19 1.61 -0.40 0.00 2.02 -0.41 -0.76 118.70 122.96 3ncm s GLU 74 Ca 0.44 -2.30 -0.28 0.00 0.02 0.00 0.00 54.97 52.85 3ncm s GLU 74 Cb -0.17 -2.80 -0.01 0.00 0.10 0.00 0.00 34.13 31.24 3ncm s GLU 74 CO 0.14 -1.14 1.75 0.20 0.02 0.00 0.00 175.26 176.24 3ncm s GLY 75 N 0.05 0.72 0.02 -1.39 0.00 0.20 -0.03 107.32 106.88 3ncm s GLY 75 Ca 0.17 0.01 0.08 0.00 0.00 0.00 0.00 44.72 44.98 3ncm s GLY 75 CO 0.00 3.22 -0.23 -1.60 0.00 0.00 0.00 173.10 174.50 3ncm s ARG 76 N 5.82 1.65 -0.06 2.90 3.52 0.39 -1.05 118.95 132.12 3ncm s ARG 76 Ca 0.74 -0.93 0.04 0.00 -0.13 0.00 0.00 55.73 55.46 3ncm s ARG 76 Cb -0.19 -1.71 -0.02 0.00 -1.56 0.00 0.00 34.95 31.47 3ncm s ARG 76 CO 0.31 0.45 -0.17 0.42 -0.81 0.00 0.00 175.30 175.50 3ncm s ILE 77 N -0.69 2.78 -0.19 4.11 1.01 -0.67 -2.56 121.20 124.98 3ncm s ILE 77 Ca 0.09 -0.81 -0.17 0.00 0.00 0.00 0.00 60.65 59.76 3ncm s ILE 77 Cb -0.09 -2.08 -0.20 0.00 0.01 0.00 0.00 42.46 40.10 3ncm s ILE 77 CO 0.01 0.58 0.20 0.18 0.00 0.00 0.00 174.94 175.90 3ncm n LEU 78 N 2.62 2.08 0.34 2.97 4.77 -1.26 -1.80 117.00 126.72 3ncm n LEU 78 Ca -0.17 0.35 -0.18 0.00 -0.03 0.00 0.00 56.01 55.98 3ncm n LEU 78 Cb 0.52 -0.99 -0.09 0.00 -2.33 0.00 0.00 43.42 40.53 3ncm n LEU 78 CO 0.26 0.46 0.64 0.00 -1.33 0.00 0.00 177.39 177.42 3ncm h ALA 79 N -0.39 -0.89 -1.45 -1.18 0.00 -2.00 -3.04 119.26 110.32 3ncm h ALA 79 Ca -0.40 -0.18 -0.79 0.00 0.00 0.00 0.00 54.91 53.54 3ncm h ALA 79 Cb 1.52 0.39 -0.29 0.00 0.00 0.00 0.00 17.79 19.41 3ncm h ALA 79 CO -0.15 -1.01 0.84 0.54 0.00 0.00 0.00 179.25 179.47 3ncm n ARG 80 N -5.48 5.09 0.00 0.00 1.74 -1.26 -4.98 116.66 111.77 3ncm n ARG 80 Ca -0.13 -4.67 0.00 0.00 -0.77 0.00 0.00 57.85 52.28 3ncm n ARG 80 Cb 0.37 -2.45 0.00 0.00 -1.02 0.00 0.00 32.46 29.36 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 3.49 -0.13 0.00 -1.15 -4.74 105.19 102.80 3ncm n GLY 81 Ca 0.42 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.13 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 2.14 -0.45 1.61 2.12 -0.75 -4.93 118.70 118.44 3ncm s GLU 82 Ca 0.00 -0.95 0.07 0.00 0.36 0.00 0.00 54.97 54.45 3ncm s GLU 82 Cb 0.00 -2.24 0.24 0.00 0.26 0.00 0.00 34.13 32.39 3ncm s GLU 82 CO 0.00 0.55 0.56 0.44 -0.54 0.00 0.00 175.26 176.26 3ncm n ILE 83 N 1.47 -0.03 -3.11 -3.70 -5.35 -1.26 -1.68 119.36 105.70 3ncm n ILE 83 Ca -0.16 -4.25 -0.32 0.00 -0.27 0.00 0.00 62.75 57.75 3ncm n ILE 83 Cb 0.52 -1.98 -0.06 0.00 -1.74 0.00 0.00 39.64 36.39 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 -1.40 6.75 0.19 7.28 -0.87 -0.22 -4.92 114.94 121.76 3ncm s ASN 84 Ca 0.36 1.27 -0.10 0.00 -1.57 0.00 0.00 52.86 52.81 3ncm s ASN 84 Cb 0.16 -2.37 0.04 0.00 -0.02 0.00 0.00 41.25 39.06 3ncm s ASN 84 CO -0.09 -0.22 0.53 2.22 -2.57 0.00 0.00 177.10 176.96 3ncm n PHE 85 N -0.45 -1.55 -3.56 2.20 1.16 -1.26 0.59 117.46 114.60 3ncm n PHE 85 Ca 0.03 -0.99 -0.07 0.00 -1.87 0.00 0.00 57.45 54.55 3ncm n PHE 85 Cb 0.53 0.49 -0.02 0.00 -1.61 0.00 0.00 39.48 38.88 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 -2.05 0.87 -0.35 3.97 2.20 0.06 -4.97 119.74 119.47 3ncm s LYS 86 Ca 0.11 -0.36 -0.09 0.00 -0.36 0.00 0.00 55.97 55.27 3ncm s LYS 86 Cb -0.03 0.37 0.03 0.00 -1.51 0.00 0.00 37.83 36.69 3ncm s LYS 86 CO 0.06 -0.38 0.16 0.16 -0.36 0.00 0.00 175.35 174.98 3ncm s ASP 87 N -2.58 5.53 -0.27 1.43 -4.77 -1.26 -0.97 116.67 113.78 3ncm s ASP 87 Ca 0.07 -1.03 -0.15 0.00 -3.30 0.00 0.00 52.55 48.14 3ncm s ASP 87 Cb -0.01 -1.95 -0.04 0.00 -1.09 0.00 0.00 42.92 39.83 3ncm s ASP 87 CO -0.06 -0.35 0.37 -0.63 0.70 0.00 0.00 175.17 175.20 3ncm s ILE 88 N 1.49 5.18 -0.38 2.11 1.09 0.37 -4.82 121.20 126.24 3ncm s ILE 88 Ca 0.01 0.57 -0.20 0.00 -1.10 0.00 0.00 60.65 59.92 3ncm s ILE 88 Cb -0.19 -3.70 0.01 0.00 -1.06 0.00 0.00 42.46 37.52 3ncm s ILE 88 CO 0.05 0.16 0.61 -1.58 -0.10 0.00 0.00 174.94 174.08 3ncm s GLN 89 N 2.05 3.57 -0.04 2.79 -0.44 0.70 0.43 119.66 128.71 3ncm s GLN 89 Ca 0.15 -0.10 -0.01 0.00 -2.50 0.00 0.00 55.36 52.90 3ncm s GLN 89 Cb -0.16 -3.85 -0.04 0.00 -1.64 0.00 0.00 33.01 27.33 3ncm s GLN 89 CO 0.10 -0.79 0.06 0.08 0.50 0.00 0.00 175.29 175.24 3ncm s VAL 90 N 2.68 4.68 -0.01 1.34 1.01 0.07 0.52 120.40 130.69 3ncm s VAL 90 Ca 0.23 -0.31 0.02 0.00 0.00 0.00 0.00 61.98 61.92 3ncm s VAL 90 Cb -0.15 -3.08 -0.00 0.00 0.00 0.00 0.00 36.38 33.15 3ncm s VAL 90 CO 0.16 0.45 -0.07 -0.63 0.00 0.00 0.00 175.10 175.01 3ncm s ILE 91 N -1.09 0.52 0.00 2.22 1.01 -0.50 0.10 121.20 123.45 3ncm s ILE 91 Ca 0.19 -0.28 0.00 0.00 0.00 0.00 0.00 60.65 60.56 3ncm s ILE 91 Cb -0.12 -0.44 0.00 0.00 0.01 0.00 0.00 42.46 41.91 3ncm s ILE 91 CO 0.09 0.15 0.00 0.55 0.00 0.00 0.00 174.94 175.73