#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 -0.45 -0.31 -3.48 1.01 -1.21 0.52 120.40 116.48 3ncm s VAL 2 Ca 0.00 -0.21 -0.04 0.00 0.00 0.00 0.00 61.98 61.73 3ncm s VAL 2 Cb 0.00 -0.82 0.04 0.00 0.00 0.00 0.00 36.38 35.60 3ncm s VAL 2 CO 0.00 -0.25 0.04 -0.04 0.00 0.00 0.00 175.10 174.84 3ncm s MET 3 N 2.42 2.57 -0.20 2.72 -1.94 -0.81 -4.86 119.30 119.19 3ncm s MET 3 Ca 0.10 -1.19 -0.29 0.00 -1.71 0.00 0.00 55.69 52.60 3ncm s MET 3 Cb -0.15 -3.28 -0.03 0.00 2.01 0.00 0.00 34.83 33.39 3ncm s MET 3 CO -0.20 -0.61 1.62 -0.06 -0.01 0.00 0.00 175.02 175.77 3ncm s PHE 4 N 1.33 2.09 0.19 -0.03 0.40 -1.26 -0.53 117.98 120.17 3ncm s PHE 4 Ca -0.03 0.52 0.06 0.00 -0.60 0.00 0.00 56.93 56.88 3ncm s PHE 4 Cb -0.19 -3.97 -0.05 0.00 0.51 0.00 0.00 43.02 39.32 3ncm s PHE 4 CO 0.00 -3.02 -0.12 -1.59 0.70 0.00 0.00 175.22 171.19 3ncm s LYS 5 N 4.62 1.25 -0.31 0.44 -2.85 0.18 -4.96 119.74 118.12 3ncm s LYS 5 Ca 0.72 -1.55 -0.24 0.00 -1.00 0.00 0.00 55.97 53.89 3ncm s LYS 5 Cb -0.26 -0.94 0.04 0.00 -2.06 0.00 0.00 37.83 34.61 3ncm s LYS 5 CO 0.29 0.14 0.43 -1.71 0.10 0.00 0.00 175.35 174.60 3ncm n ASN 6 N -0.33 -3.50 -3.30 0.03 5.15 -1.26 -1.00 115.26 111.05 3ncm n ASN 6 Ca -0.09 -0.14 -0.24 0.00 -0.60 0.00 0.00 54.58 53.51 3ncm n ASN 6 Cb 0.61 -1.03 -0.08 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 n ALA 7 N -0.22 2.32 -1.90 5.20 0.00 -1.26 -1.57 120.51 123.07 3ncm n ALA 7 Ca -0.07 -2.92 -0.40 0.00 0.00 0.00 0.00 53.44 50.05 3ncm n ALA 7 Cb 0.45 -0.83 -0.03 0.00 0.00 0.00 0.00 19.45 19.03 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 -0.00 2.83 0.07 0.00 0.05 -1.26 -4.90 135.00 131.79 3ncm s PRO 8 Ca 0.33 1.17 -0.33 0.00 0.05 0.00 0.00 61.00 62.23 3ncm s PRO 8 Cb 0.05 -4.35 -0.16 0.00 0.05 0.00 0.00 34.50 30.09 3ncm s PRO 8 CO -0.18 -2.46 1.51 1.79 0.05 0.00 0.00 177.00 177.71 3ncm h THR 9 N 7.02 0.00 -1.53 1.26 1.35 -1.88 -3.35 112.91 115.78 3ncm h THR 9 Ca -0.30 0.00 -0.55 0.00 -0.55 0.00 0.00 66.41 65.01 3ncm h THR 9 Cb 1.19 0.00 -0.09 0.00 -1.73 0.00 0.00 68.15 67.52 3ncm h THR 9 CO 1.12 0.00 1.29 -2.16 -0.25 0.00 0.00 175.52 175.51 3ncm s PRO 10 N -5.58 3.33 0.46 4.72 0.05 -1.24 0.45 135.00 137.18 3ncm s PRO 10 Ca -0.16 -0.68 0.08 0.00 0.05 0.00 0.00 61.00 60.29 3ncm s PRO 10 Cb 0.04 -4.90 0.02 0.00 0.05 0.00 0.00 34.50 29.71 3ncm s PRO 10 CO 0.54 -2.31 0.59 1.14 0.05 0.00 0.00 177.00 177.01 3ncm s GLN 11 N 5.49 2.66 -0.14 4.56 -2.07 0.16 -4.98 119.66 125.34 3ncm s GLN 11 Ca 0.45 -1.39 -0.06 0.00 -1.82 0.00 0.00 55.36 52.54 3ncm s GLN 11 Cb -0.04 -2.66 0.06 0.00 -1.09 0.00 0.00 33.01 29.28 3ncm s GLN 11 CO 0.00 -0.40 0.31 -2.00 -1.32 0.00 0.00 175.29 171.88 3ncm s GLU 12 N -4.39 0.24 0.00 9.60 2.12 -1.26 -1.55 118.70 123.47 3ncm s GLU 12 Ca 0.55 0.72 0.00 0.00 0.36 0.00 0.00 54.97 56.60 3ncm s GLU 12 Cb -0.08 -0.01 0.00 0.00 0.26 0.00 0.00 34.13 34.30 3ncm s GLU 12 CO 0.33 -0.21 0.00 1.19 -0.54 0.00 0.00 175.26 176.03 3ncm n PHE 13 N 4.72 0.00 -4.25 5.30 3.72 0.18 -4.95 117.46 122.18 3ncm n PHE 13 Ca -0.17 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.04 3ncm n PHE 13 Cb 0.52 0.00 -0.13 0.00 -0.94 0.00 0.00 39.48 38.93 3ncm n PHE 13 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 176.76 175.12 3ncm s LYS 14 N -0.66 0.83 0.20 -1.08 0.00 -1.26 -4.30 119.74 113.46 3ncm s LYS 14 Ca 0.00 -0.81 -0.33 0.00 0.00 0.00 0.00 55.97 54.83 3ncm s LYS 14 Cb 0.00 -0.82 -0.13 0.00 0.00 0.00 0.00 37.83 36.89 3ncm s LYS 14 CO 0.00 0.19 1.65 -0.85 0.00 0.00 0.00 175.35 176.34 3ncm n GLU 15 N 1.65 2.51 -1.04 1.78 0.28 -1.25 -1.67 120.64 122.90 3ncm n GLU 15 Ca -0.20 0.90 -0.01 0.00 -0.16 0.00 0.00 57.16 57.70 3ncm n GLU 15 Cb 0.55 -2.71 -0.01 0.00 1.43 0.00 0.00 31.44 30.70 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 3.59 0.50 3.70 -1.84 0.00 0.32 -5.00 105.19 106.47 3ncm n GLY 16 Ca 0.16 -0.79 -0.26 0.00 0.00 0.00 0.00 46.02 45.13 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 -1.72 2.55 -0.78 1.61 2.56 0.12 -4.62 118.70 118.43 3ncm s GLU 17 Ca 0.00 -1.05 -0.26 0.00 0.00 0.00 0.00 54.97 53.65 3ncm s GLU 17 Cb 0.00 -2.43 0.03 0.00 2.00 0.00 0.00 34.13 33.73 3ncm s GLU 17 CO 0.00 0.46 1.32 -0.51 -0.56 0.00 0.00 175.26 175.97 3ncm s ASP 18 N -3.05 6.19 0.41 -1.70 1.11 -1.26 -0.36 116.67 118.01 3ncm s ASP 18 Ca 0.29 -0.58 0.08 0.00 0.18 0.00 0.00 52.55 52.52 3ncm s ASP 18 Cb -0.09 -2.56 -0.01 0.00 1.07 0.00 0.00 42.92 41.32 3ncm s ASP 18 CO 0.20 -1.81 0.43 0.00 1.18 0.00 0.00 175.17 175.17 3ncm s ALA 19 N 5.71 4.18 -0.06 5.23 0.00 -0.67 -4.89 121.76 131.27 3ncm s ALA 19 Ca 0.37 -1.80 -0.06 0.00 0.00 0.00 0.00 51.96 50.48 3ncm s ALA 19 Cb -0.07 -1.22 0.01 0.00 0.00 0.00 0.00 23.12 21.85 3ncm s ALA 19 CO 0.11 -0.22 0.16 0.08 0.00 0.00 0.00 175.76 175.90 3ncm s VAL 20 N -2.42 0.01 -0.35 0.00 1.01 -1.26 -0.20 120.40 117.19 3ncm s VAL 20 Ca 0.49 -0.06 -0.16 0.00 0.00 0.00 0.00 61.98 62.26 3ncm s VAL 20 Cb -0.05 -0.25 -0.01 0.00 0.00 0.00 0.00 36.38 36.07 3ncm s VAL 20 CO 0.29 -0.03 0.38 -0.63 0.00 0.00 0.00 175.10 175.11 3ncm s ILE 21 N -0.04 5.15 -0.19 2.22 1.01 -0.26 -4.84 121.20 124.26 3ncm s ILE 21 Ca -0.01 0.05 -0.29 0.00 0.00 0.00 0.00 60.65 60.39 3ncm s ILE 21 Cb -0.02 -3.85 -0.01 0.00 0.01 0.00 0.00 42.46 38.60 3ncm s ILE 21 CO 0.00 -0.12 1.26 -0.69 0.00 0.00 0.00 174.94 175.39 3ncm s VAL 22 N 2.05 4.28 -0.41 2.92 1.01 -1.26 -2.20 120.40 126.79 3ncm s VAL 22 Ca 0.12 1.53 0.06 0.00 0.00 0.00 0.00 61.98 63.70 3ncm s VAL 22 Cb -0.16 -4.03 0.18 0.00 0.00 0.00 0.00 36.38 32.37 3ncm s VAL 22 CO 0.12 -0.18 0.68 0.00 0.00 0.00 0.00 175.10 175.72 3ncm s ASP 24 N 1.77 7.09 -0.12 0.00 1.01 -0.17 -4.32 116.67 121.93 3ncm s ASP 24 Ca 0.17 1.29 -0.05 0.00 0.71 0.00 0.00 52.55 54.67 3ncm s ASP 24 Cb -0.03 -2.38 0.05 0.00 1.01 0.00 0.00 42.92 41.57 3ncm s ASP 24 CO -0.08 0.22 0.26 -0.69 0.21 0.00 0.00 175.17 175.10 3ncm s VAL 25 N -0.89 -0.17 -1.21 -1.27 1.01 -1.26 0.52 120.40 117.13 3ncm s VAL 25 Ca 0.30 0.19 -0.12 0.00 0.00 0.00 0.00 61.98 62.35 3ncm s VAL 25 Cb -0.20 -0.42 0.18 0.00 0.00 0.00 0.00 36.38 35.95 3ncm s VAL 25 CO 0.20 0.08 1.50 0.52 0.00 0.00 0.00 175.10 177.39 3ncm n VAL 26 N 4.62 4.34 -1.80 2.92 0.31 0.31 -4.85 118.33 124.18 3ncm n VAL 26 Ca -0.19 -4.76 -0.30 0.00 -0.01 0.00 0.00 64.34 59.08 3ncm n VAL 26 Cb 0.52 -2.44 0.07 0.00 -0.91 0.00 0.00 33.84 31.07 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 2.15 4.98 0.00 4.52 0.01 -1.25 -1.92 113.70 122.19 3ncm s SER 27 Ca 0.41 1.09 0.00 0.00 1.31 0.00 0.00 55.95 58.76 3ncm s SER 27 Cb -0.01 -1.81 0.00 0.00 0.21 0.00 0.00 66.02 64.41 3ncm s SER 27 CO -0.00 -1.63 0.22 -0.24 0.41 0.00 0.00 173.24 172.00 3ncm n SER 28 N -3.19 0.00 0.13 2.44 2.88 0.19 -4.76 113.62 111.31 3ncm n SER 28 Ca 0.07 0.22 0.00 0.00 -1.33 0.00 0.00 58.87 57.84 3ncm n SER 28 Cb 0.58 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.04 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 -0.40 -2.26 0.20 2.46 4.77 -1.26 -4.86 117.00 115.64 3ncm n LEU 29 Ca 0.00 0.58 -0.15 0.00 -0.03 0.00 0.00 56.01 56.41 3ncm n LEU 29 Cb 0.00 2.29 -0.08 0.00 -2.33 0.00 0.00 43.42 43.30 3ncm n LEU 29 CO 0.00 0.07 0.75 1.55 -1.33 0.00 0.00 177.39 178.42 3ncm h PRO 30 N 0.00 -0.43 0.00 3.23 0.14 -2.00 -3.44 132.00 129.50 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 -0.27 0.00 -0.35 0.14 0.00 0.00 178.00 177.52 3ncm n PRO 31 N -5.27 -0.00 -0.98 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 -3.89 0.52 -1.04 -1.05 -4.96 114.28 102.26 3ncm n THR 32 Ca 0.00 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.69 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 -2.41 5.39 -0.17 12.58 2.07 -1.26 -0.63 121.20 136.77 3ncm s ILE 33 Ca 0.00 -0.23 -0.03 0.00 -1.41 0.00 0.00 60.65 58.99 3ncm s ILE 33 Cb 0.00 -3.59 -0.02 0.00 0.13 0.00 0.00 42.46 38.98 3ncm s ILE 33 CO 0.00 0.23 -0.06 -0.63 -1.91 0.00 0.00 174.94 172.56 3ncm s ILE 34 N -1.43 3.52 -0.45 2.00 1.01 0.75 -4.85 121.20 121.75 3ncm s ILE 34 Ca 0.32 -0.48 -0.22 0.00 0.00 0.00 0.00 60.65 60.27 3ncm s ILE 34 Cb -0.13 -2.54 0.03 0.00 0.01 0.00 0.00 42.46 39.83 3ncm s ILE 34 CO 0.23 0.48 0.73 0.26 0.00 0.00 0.00 174.94 176.64 3ncm s TRP 35 N 0.66 3.01 0.00 3.97 0.52 -1.26 -1.23 118.94 124.61 3ncm s TRP 35 Ca -0.04 0.04 0.00 0.00 0.02 0.00 0.00 56.10 56.13 3ncm s TRP 35 Cb -0.15 -3.55 0.00 0.00 -1.15 0.00 0.00 33.47 28.62 3ncm s TRP 35 CO 0.02 -0.96 0.00 1.17 0.02 0.00 0.00 176.95 177.21 3ncm n LYS 36 N 6.55 2.73 -3.30 4.98 4.81 -0.56 -1.45 118.16 131.92 3ncm n LYS 36 Ca 0.00 0.00 -0.16 0.00 -0.87 0.00 0.00 58.31 57.28 3ncm n LYS 36 Cb 0.48 0.00 0.06 0.00 0.02 0.00 0.00 35.03 35.59 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 -0.09 -2.43 0.00 5.64 -0.00 -1.26 -1.57 115.22 115.51 3ncm n HIS 37 Ca 0.00 0.82 0.00 0.00 0.46 0.00 0.00 57.72 59.00 3ncm n HIS 37 Cb 0.00 -4.03 0.00 0.00 -0.12 0.00 0.00 29.99 25.84 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 -3.26 0.00 -2.08 1.57 4.81 -1.26 -4.33 118.16 113.61 3ncm n LYS 38 Ca -0.07 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.36 3ncm n LYS 38 Cb 0.61 0.00 0.07 0.00 0.02 0.00 0.00 35.03 35.72 3ncm n LYS 38 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3ncm n GLY 39 N -1.02 0.59 2.89 3.14 0.00 -1.26 -5.05 105.19 104.48 3ncm n GLY 39 Ca 0.00 -0.09 -0.10 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.80 -2.40 -2.40 1.61 5.12 -1.26 -4.69 116.66 111.85 3ncm n ARG 40 Ca -0.10 2.10 -0.01 0.00 -1.93 0.00 0.00 57.85 57.92 3ncm n ARG 40 Cb 0.69 -5.42 -0.01 0.00 -1.16 0.00 0.00 32.46 26.57 3ncm n ARG 40 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 3ncm n ASP 41 N -0.25 -7.32 0.11 0.55 9.92 -1.26 -4.81 116.55 113.50 3ncm n ASP 41 Ca 0.10 1.73 -0.03 0.00 -0.53 0.00 0.00 54.79 56.06 3ncm n ASP 41 Cb 0.46 -5.01 0.13 0.00 -0.64 0.00 0.00 41.12 36.06 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 4.29 1.45 0.00 2.53 -1.51 -1.53 -3.15 116.25 118.33 3ncm h VAL 42 Ca -0.11 -2.20 0.00 0.00 -1.23 0.00 0.00 66.70 63.16 3ncm h VAL 42 Cb 0.25 2.17 0.00 0.00 -2.13 0.00 0.00 31.29 31.58 3ncm h VAL 42 CO 0.00 0.63 0.00 0.40 -1.23 0.00 0.00 177.57 177.38 3ncm h ILE 43 N 0.06 0.00 0.00 7.19 2.04 -1.90 -0.05 117.51 124.84 3ncm h ILE 43 Ca -0.01 -0.02 -0.05 0.00 1.00 0.00 0.00 64.86 65.78 3ncm h ILE 43 Cb 1.17 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.84 3ncm h ILE 43 CO 0.09 0.00 -1.19 0.18 0.00 0.00 0.00 178.15 177.23 3ncm n LEU 44 N -2.40 0.80 -0.09 1.44 4.32 -1.19 -4.25 117.00 115.63 3ncm n LEU 44 Ca -0.02 0.32 -0.15 0.00 -0.02 0.00 0.00 56.01 56.15 3ncm n LEU 44 Cb 0.05 -0.01 -0.14 0.00 -1.62 0.00 0.00 43.42 41.70 3ncm n LEU 44 CO 0.12 -0.08 -1.13 2.29 -1.22 0.00 0.00 177.39 177.37 3ncm n LYS 45 N -2.72 0.68 -3.90 3.23 2.85 -0.59 -5.02 118.16 112.69 3ncm n LYS 45 Ca -0.03 0.12 -0.34 0.00 -1.05 0.00 0.00 58.31 57.01 3ncm n LYS 45 Cb 0.64 -1.57 0.01 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 -3.09 -1.50 -0.68 -1.58 4.76 -0.14 -4.92 118.16 111.01 3ncm n LYS 46 Ca -0.37 0.32 -0.31 0.00 -2.87 0.00 0.00 58.31 55.09 3ncm n LYS 46 Cb 1.06 -3.79 0.15 0.00 -1.84 0.00 0.00 35.03 30.62 3ncm n LYS 46 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 3ncm n ASP 47 N -2.65 -2.57 0.15 4.39 -0.08 -1.26 -4.80 116.55 109.73 3ncm n ASP 47 Ca -0.17 -0.17 0.12 0.00 -1.51 0.00 0.00 54.79 53.05 3ncm n ASP 47 Cb 0.62 -0.86 0.55 0.00 2.34 0.00 0.00 41.12 43.76 3ncm n ASP 47 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 3ncm n VAL 48 N -4.35 0.91 0.21 5.18 0.31 -1.26 -2.90 118.33 116.43 3ncm n VAL 48 Ca 0.01 0.46 0.02 0.00 -0.01 0.00 0.00 64.34 64.82 3ncm n VAL 48 Cb 0.59 -1.42 -0.00 0.00 -0.91 0.00 0.00 33.84 32.10 3ncm n VAL 48 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 3ncm n ARG 49 N -2.28 2.39 -3.27 5.55 1.85 -1.26 -4.91 116.66 114.73 3ncm n ARG 49 Ca 0.00 -0.43 -0.41 0.00 -1.00 0.00 0.00 57.85 56.01 3ncm n ARG 49 Cb 0.15 -0.92 -0.08 0.00 -1.05 0.00 0.00 32.46 30.56 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 -0.88 3.19 -0.23 2.89 0.40 -1.14 0.10 117.98 122.31 3ncm s PHE 50 Ca 0.04 0.17 -0.03 0.00 -0.60 0.00 0.00 56.93 56.50 3ncm s PHE 50 Cb 0.04 -2.88 0.08 0.00 0.51 0.00 0.00 43.02 40.77 3ncm s PHE 50 CO 0.12 -0.51 0.08 0.42 0.70 0.00 0.00 175.22 176.03 3ncm s ILE 51 N 2.33 0.24 0.03 0.64 1.09 -0.62 -4.55 121.20 120.36 3ncm s ILE 51 Ca 0.18 -0.60 -0.30 0.00 -1.10 0.00 0.00 60.65 58.82 3ncm s ILE 51 Cb -0.16 -0.96 -0.05 0.00 -1.06 0.00 0.00 42.46 40.23 3ncm s ILE 51 CO 0.13 -0.42 1.24 -0.69 -0.10 0.00 0.00 174.94 175.09 3ncm s VAL 52 N 1.97 4.00 0.71 2.92 1.01 -1.26 -1.64 120.40 128.12 3ncm s VAL 52 Ca 0.04 1.41 -0.10 0.00 0.00 0.00 0.00 61.98 63.33 3ncm s VAL 52 Cb -0.17 -3.91 0.04 0.00 0.00 0.00 0.00 36.38 32.35 3ncm s VAL 52 CO -0.18 0.07 1.07 -0.76 0.00 0.00 0.00 175.10 175.30 3ncm s LEU 53 N 1.53 2.84 0.64 3.92 1.43 -0.53 -4.91 118.68 123.59 3ncm s LEU 53 Ca 0.59 0.86 0.39 0.00 -1.03 0.00 0.00 54.13 54.95 3ncm s LEU 53 Cb -0.29 -3.56 2.18 0.00 0.03 0.00 0.00 46.19 44.55 3ncm s LEU 53 CO 0.27 -1.48 2.32 0.77 0.23 0.00 0.00 176.35 178.45 3ncm h SER 54 N -0.67 0.00 -0.34 2.29 4.64 -1.95 -1.39 113.55 116.13 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 0.63 0.01 0.00 -0.46 -0.87 0.00 0.00 176.83 176.14 3ncm n ASN 55 N -3.32 3.62 -1.87 4.97 6.94 -1.26 -4.90 115.26 119.45 3ncm n ASN 55 Ca -0.03 -2.49 -0.15 0.00 -0.02 0.00 0.00 54.58 51.90 3ncm n ASN 55 Cb 0.09 -0.58 0.01 0.00 -2.36 0.00 0.00 39.78 36.94 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 0.40 -4.49 -4.97 0.53 4.13 -0.52 -4.42 115.26 105.92 3ncm n ASN 56 Ca 0.16 -0.11 -0.18 0.00 1.68 0.00 0.00 54.58 56.13 3ncm n ASN 56 Cb 0.76 -3.50 -0.00 0.00 -1.54 0.00 0.00 39.78 35.50 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 -2.84 2.88 -0.39 3.10 1.51 -1.25 -4.41 117.35 115.95 3ncm s TYR 57 Ca 0.11 -0.36 0.04 0.00 -1.01 0.00 0.00 57.07 55.84 3ncm s TYR 57 Cb -0.05 -2.19 0.11 0.00 -0.11 0.00 0.00 41.96 39.72 3ncm s TYR 57 CO 0.13 -0.21 0.12 -1.17 -1.11 0.00 0.00 175.55 173.31 3ncm s LEU 58 N -4.24 4.35 -0.59 -1.29 2.96 -0.94 -1.46 118.68 117.48 3ncm s LEU 58 Ca 0.50 -2.36 -0.28 0.00 -0.22 0.00 0.00 54.13 51.78 3ncm s LEU 58 Cb -0.08 -1.54 0.01 0.00 0.50 0.00 0.00 46.19 45.08 3ncm s LEU 58 CO 0.31 -0.34 1.42 -1.10 -1.32 0.00 0.00 176.35 175.32 3ncm s GLN 59 N 0.63 3.25 -0.54 1.98 -1.52 -0.65 -1.10 119.66 121.70 3ncm s GLN 59 Ca 0.13 0.38 -0.17 0.00 -1.95 0.00 0.00 55.36 53.74 3ncm s GLN 59 Cb -0.21 -4.14 0.10 0.00 -0.22 0.00 0.00 33.01 28.54 3ncm s GLN 59 CO -0.07 -2.01 0.57 0.42 -0.25 0.00 0.00 175.29 173.95 3ncm s ILE 60 N 6.19 5.04 -0.22 1.08 1.01 0.72 -1.59 121.20 133.42 3ncm s ILE 60 Ca 0.51 -1.15 -0.29 0.00 0.00 0.00 0.00 60.65 59.72 3ncm s ILE 60 Cb -0.10 -4.36 -0.03 0.00 0.01 0.00 0.00 42.46 37.98 3ncm s ILE 60 CO 0.24 -0.91 1.63 -0.60 0.00 0.00 0.00 174.94 175.30 3ncm s ARG 61 N 2.10 3.78 0.00 2.79 3.00 0.11 -1.67 118.95 129.05 3ncm s ARG 61 Ca 0.07 1.67 0.00 0.00 -1.00 0.00 0.00 55.73 56.48 3ncm s ARG 61 Cb -0.26 -4.05 0.00 0.00 0.00 0.00 0.00 34.95 30.64 3ncm s ARG 61 CO 0.06 -1.32 0.00 0.41 0.00 0.00 0.00 175.30 174.45 3ncm n GLY 62 N 4.70 2.94 2.18 8.12 0.00 0.51 -4.72 105.19 118.91 3ncm n GLY 62 Ca 0.19 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.13 -2.50 -0.61 0.13 -0.91 0.12 119.36 114.45 3ncm n ILE 63 Ca 0.00 0.24 -0.35 0.00 -1.10 0.00 0.00 62.75 61.54 3ncm n ILE 63 Cb 0.00 -1.86 -0.03 0.00 -0.84 0.00 0.00 39.64 36.91 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 -0.49 3.90 0.58 9.51 -0.14 -1.26 -2.72 119.74 129.12 3ncm s LYS 64 Ca 0.00 1.47 0.38 0.00 -1.36 0.00 0.00 55.97 56.46 3ncm s LYS 64 Cb 0.00 -2.28 1.93 0.00 -1.68 0.00 0.00 37.83 35.80 3ncm s LYS 64 CO 0.00 -0.37 2.15 -0.22 -0.76 0.00 0.00 175.35 176.16 3ncm h LYS 65 N 1.91 0.00 0.00 1.68 3.64 -1.90 -1.46 116.57 120.44 3ncm h LYS 65 Ca -0.49 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 3ncm h LYS 65 Cb 1.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 3ncm h LYS 65 CO 0.60 0.00 -0.24 -2.37 -2.27 0.00 0.00 179.45 175.17 3ncm n THR 66 N -2.95 0.29 -0.02 1.00 5.66 -1.26 -3.62 114.28 113.38 3ncm n THR 66 Ca -0.02 -0.17 0.09 0.00 -3.05 0.00 0.00 64.05 60.91 3ncm n THR 66 Cb 0.14 -0.31 0.28 0.00 -1.55 0.00 0.00 70.33 68.89 3ncm n THR 66 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 3ncm n ASP 67 N -1.91 3.46 -4.87 1.09 9.92 -0.55 -4.95 116.55 118.73 3ncm n ASP 67 Ca 0.05 -2.08 -0.31 0.00 -0.53 0.00 0.00 54.79 51.93 3ncm n ASP 67 Cb 0.40 -0.44 -0.04 0.00 -0.64 0.00 0.00 41.12 40.40 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 -1.31 3.81 0.00 -1.24 -1.05 -1.24 -4.90 118.70 112.77 3ncm s GLU 68 Ca 0.41 0.40 0.00 0.00 -0.15 0.00 0.00 54.97 55.64 3ncm s GLU 68 Cb 0.23 -2.49 0.00 0.00 -0.44 0.00 0.00 34.13 31.43 3ncm s GLU 68 CO 0.26 0.12 0.00 0.41 0.95 0.00 0.00 175.26 177.00 3ncm n GLY 69 N -0.80 -1.05 2.76 -3.83 0.00 0.56 -4.98 105.19 97.85 3ncm n GLY 69 Ca 0.02 0.44 -0.17 0.00 0.00 0.00 0.00 46.02 46.31 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 -0.38 -0.06 2.61 2.01 -1.26 -1.04 115.64 117.52 3ncm s THR 70 Ca 0.00 -0.36 -0.26 0.00 0.31 0.00 0.00 61.69 61.38 3ncm s THR 70 Cb 0.00 -0.88 -0.03 0.00 0.01 0.00 0.00 72.50 71.60 3ncm s THR 70 CO 0.00 -0.38 0.83 -0.31 -0.69 0.00 0.00 174.62 174.08 3ncm s TYR 71 N 2.35 3.58 -0.29 4.92 1.51 0.17 -4.65 117.35 124.94 3ncm s TYR 71 Ca 0.09 1.42 -0.19 0.00 -1.01 0.00 0.00 57.07 57.38 3ncm s TYR 71 Cb -0.15 -2.97 -0.02 0.00 -0.11 0.00 0.00 41.96 38.72 3ncm s TYR 71 CO -0.26 -0.02 0.56 0.50 -1.11 0.00 0.00 175.55 175.23 3ncm s ARG 72 N 1.16 3.95 -0.19 -0.62 6.06 -0.61 -0.66 118.95 128.03 3ncm s ARG 72 Ca 0.43 0.25 -0.26 0.00 -2.50 0.00 0.00 55.73 53.65 3ncm s ARG 72 Cb -0.19 -3.70 -0.01 0.00 0.06 0.00 0.00 34.95 31.11 3ncm s ARG 72 CO 0.21 -0.47 0.86 0.00 -2.50 0.00 0.00 175.30 173.40 3ncm s GLU 74 N 2.40 1.83 -0.51 0.00 2.02 -0.36 -1.25 118.70 122.83 3ncm s GLU 74 Ca 0.39 -2.54 -0.27 0.00 0.02 0.00 0.00 54.97 52.56 3ncm s GLU 74 Cb -0.16 -3.01 -0.03 0.00 0.10 0.00 0.00 34.13 31.03 3ncm s GLU 74 CO 0.11 -1.16 1.93 0.20 0.02 0.00 0.00 175.26 176.36 3ncm s GLY 75 N -0.28 0.28 -0.00 -1.39 0.00 0.18 -0.18 107.32 105.94 3ncm s GLY 75 Ca 0.19 -0.27 0.08 0.00 0.00 0.00 0.00 44.72 44.72 3ncm s GLY 75 CO -0.03 3.49 -0.24 -1.60 0.00 0.00 0.00 173.10 174.72 3ncm s ARG 76 N 6.81 2.09 -0.04 2.90 3.52 0.20 -1.48 118.95 132.94 3ncm s ARG 76 Ca 0.76 -0.95 0.06 0.00 -0.13 0.00 0.00 55.73 55.47 3ncm s ARG 76 Cb -0.16 -2.09 -0.01 0.00 -1.56 0.00 0.00 34.95 31.12 3ncm s ARG 76 CO 0.25 0.56 -0.23 0.42 -0.81 0.00 0.00 175.30 175.49 3ncm s ILE 77 N -0.71 1.88 -0.15 4.11 1.01 -0.67 -2.54 121.20 124.12 3ncm s ILE 77 Ca 0.11 -0.99 -0.04 0.00 0.00 0.00 0.00 60.65 59.73 3ncm s ILE 77 Cb -0.10 -1.59 -0.24 0.00 0.01 0.00 0.00 42.46 40.54 3ncm s ILE 77 CO 0.01 0.53 0.22 0.18 0.00 0.00 0.00 174.94 175.88 3ncm n LEU 78 N 2.81 2.70 0.35 2.97 4.77 -1.26 -1.78 117.00 127.57 3ncm n LEU 78 Ca -0.17 0.13 -0.16 0.00 -0.03 0.00 0.00 56.01 55.77 3ncm n LEU 78 Cb 0.52 -1.05 -0.08 0.00 -2.33 0.00 0.00 43.42 40.48 3ncm n LEU 78 CO 0.25 0.87 0.50 0.00 -1.33 0.00 0.00 177.39 177.68 3ncm h ALA 79 N 0.07 -0.91 -1.41 -1.18 0.00 -2.00 -3.18 119.26 110.65 3ncm h ALA 79 Ca -0.46 -0.22 -0.80 0.00 0.00 0.00 0.00 54.91 53.43 3ncm h ALA 79 Cb 2.00 0.35 -0.28 0.00 0.00 0.00 0.00 17.79 19.87 3ncm h ALA 79 CO 0.05 -0.92 0.91 0.54 0.00 0.00 0.00 179.25 179.83 3ncm n ARG 80 N -5.42 5.18 0.00 0.00 1.74 -1.26 -4.97 116.66 111.93 3ncm n ARG 80 Ca -0.13 -4.66 0.00 0.00 -0.77 0.00 0.00 57.85 52.29 3ncm n ARG 80 Cb 0.38 -2.46 0.00 0.00 -1.02 0.00 0.00 32.46 29.35 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 0.16 0.00 3.41 -0.13 0.00 -1.21 -4.74 105.19 102.69 3ncm n GLY 81 Ca 0.43 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.14 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 1.98 -0.44 1.61 2.12 -0.74 -4.94 118.70 118.29 3ncm s GLU 82 Ca 0.00 -1.02 0.06 0.00 0.36 0.00 0.00 54.97 54.37 3ncm s GLU 82 Cb 0.00 -2.11 0.21 0.00 0.26 0.00 0.00 34.13 32.49 3ncm s GLU 82 CO 0.00 0.53 0.47 0.44 -0.54 0.00 0.00 175.26 176.16 3ncm n ILE 83 N 1.69 -0.47 -3.58 -3.70 -5.35 -1.26 -1.68 119.36 105.02 3ncm n ILE 83 Ca -0.16 -3.94 -0.32 0.00 -0.27 0.00 0.00 62.75 58.05 3ncm n ILE 83 Cb 0.52 -1.87 -0.05 0.00 -1.74 0.00 0.00 39.64 36.51 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 -0.82 6.55 0.32 7.28 -0.87 -0.55 -4.94 114.94 121.92 3ncm s ASN 84 Ca 0.34 0.72 -0.15 0.00 -1.57 0.00 0.00 52.86 52.20 3ncm s ASN 84 Cb 0.10 -2.14 0.06 0.00 -0.02 0.00 0.00 41.25 39.24 3ncm s ASN 84 CO -0.14 0.02 0.79 2.22 -2.57 0.00 0.00 177.10 177.42 3ncm n PHE 85 N 0.08 -2.05 -3.54 2.20 1.16 -1.26 0.49 117.46 114.55 3ncm n PHE 85 Ca -0.02 -1.60 -0.08 0.00 -1.87 0.00 0.00 57.45 53.89 3ncm n PHE 85 Cb 0.52 0.80 -0.02 0.00 -1.61 0.00 0.00 39.48 39.17 3ncm n PHE 85 CO 0.00 0.00 0.00 0.15 -1.87 0.00 0.00 176.76 175.04 3ncm s LYS 86 N -2.07 0.87 -0.36 3.97 1.02 -0.38 -4.97 119.74 117.82 3ncm s LYS 86 Ca 0.16 -0.35 -0.11 0.00 0.02 0.00 0.00 55.97 55.69 3ncm s LYS 86 Cb -0.04 0.38 0.01 0.00 -0.52 0.00 0.00 37.83 37.66 3ncm s LYS 86 CO 0.10 -0.39 0.21 0.16 -0.92 0.00 0.00 175.35 174.51 3ncm s ASP 87 N -2.55 5.77 -0.34 2.83 -4.77 -1.26 -1.23 116.67 115.12 3ncm s ASP 87 Ca 0.06 -0.78 -0.15 0.00 -3.30 0.00 0.00 52.55 48.38 3ncm s ASP 87 Cb -0.01 -2.05 -0.01 0.00 -1.09 0.00 0.00 42.92 39.76 3ncm s ASP 87 CO -0.07 -0.32 0.36 -0.63 0.70 0.00 0.00 175.17 175.21 3ncm s ILE 88 N 1.61 5.17 -0.30 2.11 1.09 0.16 -4.82 121.20 126.21 3ncm s ILE 88 Ca 0.04 0.08 -0.25 0.00 -1.10 0.00 0.00 60.65 59.42 3ncm s ILE 88 Cb -0.18 -3.81 0.00 0.00 -1.06 0.00 0.00 42.46 37.41 3ncm s ILE 88 CO 0.07 -0.08 0.85 -1.58 -0.10 0.00 0.00 174.94 174.10 3ncm s GLN 89 N 2.02 4.00 -0.10 2.79 0.74 0.17 0.46 119.66 129.74 3ncm s GLN 89 Ca 0.12 0.71 -0.00 0.00 0.05 0.00 0.00 55.36 56.24 3ncm s GLN 89 Cb -0.16 -3.72 -0.03 0.00 1.10 0.00 0.00 33.01 30.20 3ncm s GLN 89 CO 0.12 -0.71 -0.08 0.08 -0.55 0.00 0.00 175.29 174.15 3ncm s VAL 90 N 3.08 3.58 -0.06 1.34 1.01 -0.20 0.38 120.40 129.53 3ncm s VAL 90 Ca 0.35 -0.50 0.05 0.00 0.00 0.00 0.00 61.98 61.88 3ncm s VAL 90 Cb -0.14 -2.50 -0.01 0.00 0.00 0.00 0.00 36.38 33.74 3ncm s VAL 90 CO 0.12 0.55 -0.23 -0.63 0.00 0.00 0.00 175.10 174.92 3ncm s ILE 91 N -0.26 1.87 0.00 2.22 1.01 -0.60 -0.32 121.20 125.13 3ncm s ILE 91 Ca 0.03 -0.96 0.00 0.00 0.00 0.00 0.00 60.65 59.72 3ncm s ILE 91 Cb -0.13 -1.59 0.00 0.00 0.01 0.00 0.00 42.46 40.75 3ncm s ILE 91 CO 0.03 0.52 0.16 0.52 0.00 0.00 0.00 174.94 176.17