#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 -0.42 -0.21 -3.48 1.01 -1.20 0.41 120.40 116.51 3ncm s VAL 2 Ca 0.00 -0.13 0.02 0.00 0.00 0.00 0.00 61.98 61.87 3ncm s VAL 2 Cb 0.00 -0.74 0.03 0.00 0.00 0.00 0.00 36.38 35.67 3ncm s VAL 2 CO 0.00 -0.20 -0.16 -0.04 0.00 0.00 0.00 175.10 174.70 3ncm s MET 3 N 2.40 2.71 -0.24 2.72 -1.94 -0.79 -4.87 119.30 119.29 3ncm s MET 3 Ca 0.09 -1.02 -0.29 0.00 -1.71 0.00 0.00 55.69 52.76 3ncm s MET 3 Cb -0.16 -2.70 -0.01 0.00 2.01 0.00 0.00 34.83 33.97 3ncm s MET 3 CO -0.15 -0.35 1.44 -0.06 -0.01 0.00 0.00 175.02 175.90 3ncm s PHE 4 N 1.22 2.43 0.19 -0.03 0.40 -1.26 0.37 117.98 121.30 3ncm s PHE 4 Ca -0.00 0.72 0.09 0.00 -0.60 0.00 0.00 56.93 57.14 3ncm s PHE 4 Cb -0.16 -3.90 -0.04 0.00 0.51 0.00 0.00 43.02 39.43 3ncm s PHE 4 CO -0.10 -2.30 -0.18 -1.59 0.70 0.00 0.00 175.22 171.75 3ncm s LYS 5 N 4.30 1.34 -0.37 0.44 -2.85 0.19 -4.93 119.74 117.86 3ncm s LYS 5 Ca 0.63 -1.49 -0.32 0.00 -1.00 0.00 0.00 55.97 53.80 3ncm s LYS 5 Cb -0.21 -1.37 0.05 0.00 -2.06 0.00 0.00 37.83 34.24 3ncm s LYS 5 CO 0.25 0.27 0.55 -1.71 0.10 0.00 0.00 175.35 174.80 3ncm n ASN 6 N 0.07 -5.78 -3.25 0.03 5.15 -1.26 -0.94 115.26 109.27 3ncm n ASN 6 Ca -0.11 -0.02 -0.25 0.00 -0.60 0.00 0.00 54.58 53.60 3ncm n ASN 6 Cb 0.58 -1.79 -0.07 0.00 -0.53 0.00 0.00 39.78 37.97 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 0.08 3.09 -1.92 5.20 0.00 -1.26 -1.87 120.51 123.83 3ncm n ALA 7 Ca -0.06 -3.95 -0.23 0.00 0.00 0.00 0.00 53.44 49.19 3ncm n ALA 7 Cb 0.64 -0.85 -0.06 0.00 0.00 0.00 0.00 19.45 19.19 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 -1.88 2.27 0.02 0.00 0.05 -1.26 -4.87 135.00 129.33 3ncm s PRO 8 Ca 0.38 -0.18 -0.06 0.00 0.05 0.00 0.00 61.00 61.19 3ncm s PRO 8 Cb 0.19 -5.01 -0.02 0.00 0.05 0.00 0.00 34.50 29.70 3ncm s PRO 8 CO -0.07 -3.77 1.10 1.79 0.05 0.00 0.00 177.00 176.09 3ncm h THR 9 N 7.25 0.00 -1.26 1.26 1.35 -1.89 -3.33 112.91 116.29 3ncm h THR 9 Ca 0.08 0.00 -0.40 0.00 -0.55 0.00 0.00 66.41 65.54 3ncm h THR 9 Cb 1.00 0.00 -0.05 0.00 -1.73 0.00 0.00 68.15 67.37 3ncm h THR 9 CO 1.15 0.00 1.03 -2.16 -0.25 0.00 0.00 175.52 175.29 3ncm s PRO 10 N -3.47 2.71 0.49 4.72 0.05 -1.25 -0.16 135.00 138.09 3ncm s PRO 10 Ca -0.03 -0.07 0.09 0.00 0.05 0.00 0.00 61.00 61.04 3ncm s PRO 10 Cb 0.01 -4.82 0.04 0.00 0.05 0.00 0.00 34.50 29.79 3ncm s PRO 10 CO 0.11 -2.99 0.64 1.14 0.05 0.00 0.00 177.00 175.95 3ncm s GLN 11 N 6.76 2.56 -0.28 4.56 -2.07 0.26 -4.96 119.66 126.49 3ncm s GLN 11 Ca 0.65 -1.47 -0.10 0.00 -1.82 0.00 0.00 55.36 52.62 3ncm s GLN 11 Cb -0.08 -2.65 0.12 0.00 -1.09 0.00 0.00 33.01 29.31 3ncm s GLN 11 CO 0.06 -0.53 0.62 -2.00 -1.32 0.00 0.00 175.29 172.12 3ncm s GLU 12 N -4.46 0.54 0.00 9.60 2.12 -1.26 -1.67 118.70 123.57 3ncm s GLU 12 Ca 0.56 1.39 0.00 0.00 0.36 0.00 0.00 54.97 57.28 3ncm s GLU 12 Cb -0.07 0.77 0.00 0.00 0.26 0.00 0.00 34.13 35.09 3ncm s GLU 12 CO 0.35 -0.21 0.00 1.19 -0.54 0.00 0.00 175.26 176.05 3ncm n PHE 13 N 5.40 -0.48 -3.99 5.30 3.01 -0.59 -4.97 117.46 121.14 3ncm n PHE 13 Ca -0.12 0.00 -0.36 0.00 1.01 0.00 0.00 57.45 57.98 3ncm n PHE 13 Cb 0.49 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.89 3ncm n PHE 13 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 3ncm s LYS 14 N -1.92 3.50 -0.00 -1.08 2.20 -1.26 -4.48 119.74 116.69 3ncm s LYS 14 Ca 0.00 -0.23 -0.30 0.00 -0.36 0.00 0.00 55.97 55.08 3ncm s LYS 14 Cb 0.00 -3.13 -0.08 0.00 -1.51 0.00 0.00 37.83 33.11 3ncm s LYS 14 CO 0.00 0.64 1.97 -2.00 -0.36 0.00 0.00 175.35 175.60 3ncm s GLU 15 N -0.65 4.02 0.00 4.03 2.12 -1.23 -1.58 118.70 125.42 3ncm s GLU 15 Ca 0.12 2.51 0.00 0.00 0.36 0.00 0.00 54.97 57.96 3ncm s GLU 15 Cb -0.12 -4.17 0.00 0.00 0.26 0.00 0.00 34.13 30.10 3ncm s GLU 15 CO 0.02 -1.09 0.00 0.41 -0.54 0.00 0.00 175.26 174.07 3ncm n GLY 16 N 4.66 0.78 3.59 -1.50 0.00 0.21 -5.02 105.19 107.91 3ncm n GLY 16 Ca 0.21 -0.60 -0.25 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.73 1.94 -0.79 1.61 2.12 0.97 -4.65 118.70 118.17 3ncm s GLU 17 Ca 0.00 -1.86 -0.25 0.00 0.36 0.00 0.00 54.97 53.21 3ncm s GLU 17 Cb 0.00 -1.80 0.04 0.00 0.26 0.00 0.00 34.13 32.63 3ncm s GLU 17 CO 0.00 0.13 1.25 -0.51 -0.54 0.00 0.00 175.26 175.59 3ncm s ASP 18 N -3.66 6.24 0.45 -1.70 1.11 -1.26 0.41 116.67 118.26 3ncm s ASP 18 Ca 0.34 -0.79 0.06 0.00 0.18 0.00 0.00 52.55 52.34 3ncm s ASP 18 Cb 0.02 -2.53 0.02 0.00 1.07 0.00 0.00 42.92 41.49 3ncm s ASP 18 CO 0.18 -1.68 0.62 0.00 1.18 0.00 0.00 175.17 175.47 3ncm s ALA 19 N 5.20 4.36 -0.04 5.23 0.00 -0.62 -4.89 121.76 131.01 3ncm s ALA 19 Ca 0.35 -1.58 -0.04 0.00 0.00 0.00 0.00 51.96 50.70 3ncm s ALA 19 Cb -0.08 -1.75 0.01 0.00 0.00 0.00 0.00 23.12 21.30 3ncm s ALA 19 CO 0.09 -0.40 0.10 0.08 0.00 0.00 0.00 175.76 175.62 3ncm s VAL 20 N -2.46 0.01 -0.37 0.00 1.01 -1.26 -0.23 120.40 117.10 3ncm s VAL 20 Ca 0.56 -0.06 -0.17 0.00 0.00 0.00 0.00 61.98 62.31 3ncm s VAL 20 Cb -0.10 -0.17 0.00 0.00 0.00 0.00 0.00 36.38 36.11 3ncm s VAL 20 CO 0.34 -0.03 0.43 -0.63 0.00 0.00 0.00 175.10 175.21 3ncm s ILE 21 N -0.06 5.09 -0.10 2.22 1.01 0.29 -4.85 121.20 124.81 3ncm s ILE 21 Ca -0.01 -0.01 -0.30 0.00 0.00 0.00 0.00 60.65 60.33 3ncm s ILE 21 Cb -0.01 -3.94 -0.03 0.00 0.01 0.00 0.00 42.46 38.49 3ncm s ILE 21 CO 0.00 -0.25 1.31 -0.69 0.00 0.00 0.00 174.94 175.32 3ncm s VAL 22 N 2.17 4.11 -0.38 2.92 1.01 -1.26 -2.27 120.40 126.70 3ncm s VAL 22 Ca 0.14 1.39 0.03 0.00 0.00 0.00 0.00 61.98 63.53 3ncm s VAL 22 Cb -0.16 -3.90 0.18 0.00 0.00 0.00 0.00 36.38 32.50 3ncm s VAL 22 CO 0.13 -0.08 0.76 0.00 0.00 0.00 0.00 175.10 175.92 3ncm s ASP 24 N 1.87 7.05 -0.12 0.00 -1.08 -0.11 -4.39 116.67 119.89 3ncm s ASP 24 Ca 0.16 1.28 -0.07 0.00 -0.52 0.00 0.00 52.55 53.40 3ncm s ASP 24 Cb -0.02 -2.37 0.05 0.00 -1.46 0.00 0.00 42.92 39.12 3ncm s ASP 24 CO -0.09 0.22 0.30 -0.69 0.52 0.00 0.00 175.17 175.42 3ncm s VAL 25 N -1.22 -0.03 -1.16 1.11 1.01 -1.26 0.55 120.40 119.40 3ncm s VAL 25 Ca 0.32 0.10 -0.10 0.00 0.00 0.00 0.00 61.98 62.30 3ncm s VAL 25 Cb -0.19 -0.45 0.23 0.00 0.00 0.00 0.00 36.38 35.98 3ncm s VAL 25 CO 0.20 0.04 1.32 0.52 0.00 0.00 0.00 175.10 177.18 3ncm n VAL 26 N 3.97 4.50 -2.01 2.92 0.31 0.16 -4.85 118.33 123.33 3ncm n VAL 26 Ca -0.22 -5.12 -0.29 0.00 -0.01 0.00 0.00 64.34 58.70 3ncm n VAL 26 Cb 0.55 -2.49 0.03 0.00 -0.91 0.00 0.00 33.84 31.02 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 1.61 5.66 0.00 4.52 0.01 -1.25 -1.89 113.70 122.36 3ncm s SER 27 Ca 0.36 1.10 0.00 0.00 1.31 0.00 0.00 55.95 58.72 3ncm s SER 27 Cb -0.05 -2.01 0.00 0.00 0.21 0.00 0.00 66.02 64.18 3ncm s SER 27 CO -0.03 -1.16 0.25 -0.24 0.41 0.00 0.00 173.24 172.47 3ncm n SER 28 N -2.84 0.00 0.11 2.44 2.88 0.17 -4.75 113.62 111.62 3ncm n SER 28 Ca 0.06 0.25 0.00 0.00 -1.33 0.00 0.00 58.87 57.85 3ncm n SER 28 Cb 0.57 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 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 -1.95 0.19 2.46 4.77 -1.26 -4.86 117.00 115.89 3ncm n LEU 29 Ca 0.00 0.54 -0.15 0.00 -0.03 0.00 0.00 56.01 56.38 3ncm n LEU 29 Cb 0.00 2.03 -0.08 0.00 -2.33 0.00 0.00 43.42 43.04 3ncm n LEU 29 CO 0.00 0.05 0.76 1.55 -1.33 0.00 0.00 177.39 178.42 3ncm h PRO 30 N 0.00 -0.42 0.00 3.23 0.14 -2.00 -3.44 132.00 129.51 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 -0.21 -1.04 1.56 -0.05 -1.26 -5.09 135.00 123.63 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 -1.75 0.00 -3.29 0.52 -1.04 -1.05 -4.97 114.28 102.70 3ncm n THR 32 Ca 0.00 0.00 -0.20 0.00 -2.04 0.00 0.00 64.05 61.81 3ncm n THR 32 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 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 -2.44 3.95 -0.04 12.58 2.07 -1.26 -0.57 121.20 135.48 3ncm s ILE 33 Ca 0.00 -0.85 0.03 0.00 -1.41 0.00 0.00 60.65 58.42 3ncm s ILE 33 Cb 0.00 -3.39 0.00 0.00 0.13 0.00 0.00 42.46 39.20 3ncm s ILE 33 CO 0.00 -0.19 -0.13 -0.63 -1.91 0.00 0.00 174.94 172.08 3ncm s ILE 34 N -2.31 1.15 -0.34 2.00 1.01 0.13 -4.88 121.20 117.97 3ncm s ILE 34 Ca 0.47 -0.54 -0.15 0.00 0.00 0.00 0.00 60.65 60.43 3ncm s ILE 34 Cb -0.10 -1.02 -0.01 0.00 0.01 0.00 0.00 42.46 41.34 3ncm s ILE 34 CO 0.33 0.35 0.34 0.26 0.00 0.00 0.00 174.94 176.22 3ncm s TRP 35 N 0.27 3.21 0.15 3.97 0.52 -1.26 -0.72 118.94 125.08 3ncm s TRP 35 Ca -0.07 -0.04 0.01 0.00 0.02 0.00 0.00 56.10 56.02 3ncm s TRP 35 Cb -0.12 -2.64 0.01 0.00 -1.15 0.00 0.00 33.47 29.57 3ncm s TRP 35 CO 0.02 -0.41 0.06 1.17 0.02 0.00 0.00 176.95 177.80 3ncm n LYS 36 N 5.34 1.46 -1.29 4.98 4.81 -0.42 -1.31 118.16 131.73 3ncm n LYS 36 Ca -0.10 -1.01 0.05 0.00 -0.87 0.00 0.00 58.31 56.38 3ncm n LYS 36 Cb 0.49 0.19 -0.03 0.00 0.02 0.00 0.00 35.03 35.71 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 -0.61 -3.51 -3.57 5.64 -0.00 -1.26 -1.80 115.22 110.11 3ncm n HIS 37 Ca -0.03 1.92 -0.21 0.00 0.46 0.00 0.00 57.72 59.85 3ncm n HIS 37 Cb 0.18 -3.08 0.05 0.00 -0.12 0.00 0.00 29.99 27.02 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 -2.91 -4.01 0.00 1.57 3.00 -1.26 -4.10 118.16 110.45 3ncm n LYS 38 Ca -0.03 0.67 0.00 0.00 -0.00 0.00 0.00 58.31 58.96 3ncm n LYS 38 Cb 0.46 -5.22 0.00 0.00 0.00 0.00 0.00 35.03 30.27 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 -1.46 0.51 2.81 3.14 0.00 -1.26 -4.97 105.19 103.96 3ncm n GLY 39 Ca -0.22 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.92 -2.74 1.61 5.12 -1.26 -4.65 116.66 111.82 3ncm n ARG 40 Ca 0.00 2.43 -0.04 0.00 -1.93 0.00 0.00 57.85 58.32 3ncm n ARG 40 Cb 0.00 -4.64 -0.03 0.00 -1.16 0.00 0.00 32.46 26.63 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 0.77 -3.10 0.18 0.55 9.92 -1.25 -4.86 116.55 118.76 3ncm n ASP 41 Ca 0.00 1.25 0.05 0.00 -0.53 0.00 0.00 54.79 55.56 3ncm n ASP 41 Cb 0.11 -4.42 0.29 0.00 -0.64 0.00 0.00 41.12 36.46 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 4.14 0.92 0.00 2.53 -1.51 -1.46 -3.16 116.25 117.70 3ncm h VAL 42 Ca -0.36 -1.65 0.00 0.00 -1.23 0.00 0.00 66.70 63.46 3ncm h VAL 42 Cb 0.86 2.00 0.00 0.00 -2.13 0.00 0.00 31.29 32.02 3ncm h VAL 42 CO 0.02 0.40 0.07 0.40 -1.23 0.00 0.00 177.57 177.23 3ncm h ILE 43 N 0.00 0.00 0.00 7.19 1.08 -1.90 0.11 117.51 123.98 3ncm h ILE 43 Ca -0.00 0.00 -0.09 0.00 -0.39 0.00 0.00 64.86 64.37 3ncm h ILE 43 Cb 0.97 0.78 -0.02 0.00 -3.07 0.00 0.00 36.82 35.48 3ncm h ILE 43 CO 0.05 0.00 -1.36 0.18 -0.69 0.00 0.00 178.15 176.33 3ncm n LEU 44 N -2.78 0.72 -0.12 1.44 4.32 -1.20 -4.42 117.00 114.96 3ncm n LEU 44 Ca -0.02 0.30 -0.21 0.00 -0.02 0.00 0.00 56.01 56.06 3ncm n LEU 44 Cb 0.13 0.03 -0.12 0.00 -1.62 0.00 0.00 43.42 41.84 3ncm n LEU 44 CO 0.16 0.01 -1.30 2.29 -1.22 0.00 0.00 177.39 177.32 3ncm n LYS 45 N -2.73 0.65 -3.82 3.23 2.85 -0.58 -5.03 118.16 112.73 3ncm n LYS 45 Ca -0.06 0.19 -0.32 0.00 -1.05 0.00 0.00 58.31 57.07 3ncm n LYS 45 Cb 0.71 -1.54 0.02 0.00 -0.65 0.00 0.00 35.03 33.57 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 -3.51 -1.70 -0.70 -1.58 4.76 0.26 -4.92 118.16 110.78 3ncm n LYS 46 Ca -0.46 0.38 -0.33 0.00 -2.87 0.00 0.00 58.31 55.03 3ncm n LYS 46 Cb 0.97 -4.02 0.16 0.00 -1.84 0.00 0.00 35.03 30.30 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 -2.70 -2.44 0.30 4.39 8.00 -1.26 -4.78 116.55 118.06 3ncm n ASP 47 Ca -0.16 -0.13 0.20 0.00 0.71 0.00 0.00 54.79 55.41 3ncm n ASP 47 Cb 0.62 -0.90 1.01 0.00 -0.02 0.00 0.00 41.12 41.83 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 -1.99 0.00 -0.02 2.53 -1.51 -2.00 -2.75 116.25 110.50 3ncm h VAL 48 Ca -0.52 -0.15 0.00 0.00 -1.23 0.00 0.00 66.70 64.80 3ncm h VAL 48 Cb 1.36 1.11 0.00 0.00 -2.13 0.00 0.00 31.29 31.63 3ncm h VAL 48 CO 0.36 0.00 0.00 -2.11 -1.23 0.00 0.00 177.57 174.59 3ncm n ARG 49 N -3.00 0.79 -3.37 5.19 1.85 -1.26 -4.92 116.66 111.94 3ncm n ARG 49 Ca -0.02 -1.27 -0.44 0.00 -1.00 0.00 0.00 57.85 55.12 3ncm n ARG 49 Cb 0.14 -1.24 -0.08 0.00 -1.05 0.00 0.00 32.46 30.23 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 -1.06 3.22 -0.21 2.89 0.40 -1.04 0.05 117.98 122.23 3ncm s PHE 50 Ca 0.15 -0.82 -0.01 0.00 -0.60 0.00 0.00 56.93 55.65 3ncm s PHE 50 Cb 0.11 -3.11 0.06 0.00 0.51 0.00 0.00 43.02 40.58 3ncm s PHE 50 CO 0.16 -0.79 -0.02 0.42 0.70 0.00 0.00 175.22 175.70 3ncm s ILE 51 N 1.76 1.08 0.21 0.64 1.01 -0.71 -4.57 121.20 120.61 3ncm s ILE 51 Ca 0.06 -0.89 -0.30 0.00 0.00 0.00 0.00 60.65 59.51 3ncm s ILE 51 Cb -0.23 -1.43 -0.08 0.00 0.01 0.00 0.00 42.46 40.73 3ncm s ILE 51 CO 0.08 -0.13 1.02 -0.69 0.00 0.00 0.00 174.94 175.22 3ncm s VAL 52 N 1.61 3.97 0.57 2.92 1.01 -1.26 -1.50 120.40 127.71 3ncm s VAL 52 Ca -0.03 1.84 -0.02 0.00 0.00 0.00 0.00 61.98 63.76 3ncm s VAL 52 Cb -0.18 -4.17 0.02 0.00 0.00 0.00 0.00 36.38 32.06 3ncm s VAL 52 CO -0.07 0.38 0.83 -0.76 0.00 0.00 0.00 175.10 175.48 3ncm s LEU 53 N -0.80 3.26 0.62 3.92 1.43 -0.20 -4.92 118.68 121.99 3ncm s LEU 53 Ca 0.45 0.33 0.37 0.00 -1.03 0.00 0.00 54.13 54.25 3ncm s LEU 53 Cb -0.28 -3.15 2.08 0.00 0.03 0.00 0.00 46.19 44.87 3ncm s LEU 53 CO 0.34 -1.12 2.29 0.77 0.23 0.00 0.00 176.35 178.87 3ncm h SER 54 N -0.05 0.00 -0.34 2.29 4.64 -1.96 -1.49 113.55 116.64 3ncm h SER 54 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 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 0.57 0.01 0.00 -0.46 -0.87 0.00 0.00 176.83 176.08 3ncm n ASN 55 N -3.42 3.49 -1.80 4.97 6.94 -1.26 -4.90 115.26 119.28 3ncm n ASN 55 Ca -0.03 -2.45 -0.14 0.00 -0.02 0.00 0.00 54.58 51.94 3ncm n ASN 55 Cb 0.10 -0.56 0.01 0.00 -2.36 0.00 0.00 39.78 36.97 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 -4.32 -4.92 0.53 4.13 -0.56 -4.47 115.26 106.07 3ncm n ASN 56 Ca 0.16 -0.12 -0.20 0.00 1.68 0.00 0.00 54.58 56.09 3ncm n ASN 56 Cb 0.73 -3.31 -0.02 0.00 -1.54 0.00 0.00 39.78 35.64 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 -2.83 3.08 -0.33 3.10 1.51 -1.25 -4.44 117.35 116.18 3ncm s TYR 57 Ca 0.12 -0.21 0.04 0.00 -1.01 0.00 0.00 57.07 56.01 3ncm s TYR 57 Cb -0.05 -1.79 0.10 0.00 -0.11 0.00 0.00 41.96 40.10 3ncm s TYR 57 CO 0.15 0.19 0.04 -1.17 -1.11 0.00 0.00 175.55 173.64 3ncm s LEU 58 N -4.04 4.67 -0.58 -1.29 2.96 -0.96 -1.03 118.68 118.40 3ncm s LEU 58 Ca 0.41 -2.11 -0.28 0.00 -0.22 0.00 0.00 54.13 51.93 3ncm s LEU 58 Cb -0.08 -1.62 0.02 0.00 0.50 0.00 0.00 46.19 45.02 3ncm s LEU 58 CO 0.28 -0.37 1.28 -1.10 -1.32 0.00 0.00 176.35 175.12 3ncm s GLN 59 N 0.92 3.42 -0.52 1.98 -0.21 -0.56 -0.54 119.66 124.13 3ncm s GLN 59 Ca 0.10 0.29 -0.17 0.00 0.02 0.00 0.00 55.36 55.59 3ncm s GLN 59 Cb -0.19 -4.07 0.09 0.00 1.00 0.00 0.00 33.01 29.84 3ncm s GLN 59 CO -0.08 -1.81 0.54 0.42 -2.12 0.00 0.00 175.29 172.25 3ncm s ILE 60 N 5.40 5.05 -0.11 1.08 1.01 0.68 -1.74 121.20 132.58 3ncm s ILE 60 Ca 0.46 -1.02 -0.29 0.00 0.00 0.00 0.00 60.65 59.79 3ncm s ILE 60 Cb -0.09 -4.30 -0.05 0.00 0.01 0.00 0.00 42.46 38.04 3ncm s ILE 60 CO 0.24 -0.83 1.66 -0.60 0.00 0.00 0.00 174.94 175.42 3ncm s ARG 61 N 2.10 4.03 0.00 2.79 3.00 0.11 -1.58 118.95 129.39 3ncm s ARG 61 Ca 0.08 2.03 0.00 0.00 -1.00 0.00 0.00 55.73 56.84 3ncm s ARG 61 Cb -0.24 -4.01 0.00 0.00 0.00 0.00 0.00 34.95 30.69 3ncm s ARG 61 CO 0.07 -1.02 0.00 0.41 0.00 0.00 0.00 175.30 174.76 3ncm n GLY 62 N 4.34 2.87 3.33 8.12 0.00 0.16 -4.78 105.19 119.23 3ncm n GLY 62 Ca 0.18 -0.71 -0.17 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.83 -2.09 -0.61 0.13 -1.05 0.67 119.36 113.58 3ncm n ILE 63 Ca 0.00 0.33 -0.35 0.00 -1.10 0.00 0.00 62.75 61.63 3ncm n ILE 63 Cb 0.00 -3.24 0.02 0.00 -0.84 0.00 0.00 39.64 35.58 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 -1.62 3.14 0.51 9.51 1.02 -1.26 -2.83 119.74 128.21 3ncm s LYS 64 Ca 0.16 1.59 0.34 0.00 0.02 0.00 0.00 55.97 58.09 3ncm s LYS 64 Cb -0.02 -1.98 1.73 0.00 -0.52 0.00 0.00 37.83 37.04 3ncm s LYS 64 CO 0.38 -1.01 2.03 -0.22 -0.92 0.00 0.00 175.35 175.60 3ncm h LYS 65 N 0.85 0.00 0.00 1.68 3.11 -1.91 -1.66 116.57 118.63 3ncm h LYS 65 Ca -0.49 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.35 3ncm h LYS 65 Cb 1.26 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.49 3ncm h LYS 65 CO 0.56 0.00 -0.68 -2.37 -2.81 0.00 0.00 179.45 174.15 3ncm n THR 66 N -2.77 0.13 0.04 1.00 5.66 -1.26 -4.00 114.28 113.08 3ncm n THR 66 Ca -0.01 -0.13 0.07 0.00 -3.05 0.00 0.00 64.05 60.92 3ncm n THR 66 Cb 0.13 0.17 0.25 0.00 -1.55 0.00 0.00 70.33 69.34 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 -1.77 3.49 -4.90 1.09 9.92 -0.63 -4.93 116.55 118.83 3ncm n ASP 67 Ca 0.04 -2.31 -0.32 0.00 -0.53 0.00 0.00 54.79 51.67 3ncm n ASP 67 Cb 0.39 -0.48 -0.05 0.00 -0.64 0.00 0.00 41.12 40.34 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 -1.74 3.56 0.00 -1.24 1.03 -1.25 -4.93 118.70 114.12 3ncm s GLU 68 Ca 0.36 -0.18 0.00 0.00 0.03 0.00 0.00 54.97 55.18 3ncm s GLU 68 Cb 0.23 -2.98 0.00 0.00 -0.80 0.00 0.00 34.13 30.58 3ncm s GLU 68 CO 0.18 0.57 0.00 0.41 -1.33 0.00 0.00 175.26 175.09 3ncm n GLY 69 N 0.51 -1.36 2.80 -3.83 0.00 0.11 -4.95 105.19 98.47 3ncm n GLY 69 Ca -0.06 0.61 -0.15 0.00 0.00 0.00 0.00 46.02 46.42 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 -0.46 0.07 2.61 2.01 -1.26 -0.93 115.64 117.68 3ncm s THR 70 Ca 0.00 -0.41 -0.29 0.00 0.31 0.00 0.00 61.69 61.29 3ncm s THR 70 Cb 0.00 -0.97 -0.05 0.00 0.01 0.00 0.00 72.50 71.49 3ncm s THR 70 CO 0.00 -0.40 0.93 -0.31 -0.69 0.00 0.00 174.62 174.15 3ncm s TYR 71 N 2.41 3.76 -0.32 4.92 1.51 0.18 -4.59 117.35 125.21 3ncm s TYR 71 Ca 0.09 1.72 -0.15 0.00 -1.01 0.00 0.00 57.07 57.72 3ncm s TYR 71 Cb -0.14 -3.03 -0.02 0.00 -0.11 0.00 0.00 41.96 38.66 3ncm s TYR 71 CO -0.31 0.16 0.38 0.50 -1.11 0.00 0.00 175.55 175.17 3ncm s ARG 72 N 0.25 3.70 0.08 -0.62 6.06 -0.74 -0.00 118.95 127.67 3ncm s ARG 72 Ca 0.47 -0.26 -0.30 0.00 -2.50 0.00 0.00 55.73 53.14 3ncm s ARG 72 Cb -0.22 -3.76 -0.05 0.00 0.06 0.00 0.00 34.95 30.97 3ncm s ARG 72 CO 0.28 -0.47 0.99 0.00 -2.50 0.00 0.00 175.30 173.60 3ncm s GLU 74 N 0.37 0.87 -0.07 0.00 2.02 0.10 0.24 118.70 122.23 3ncm s GLU 74 Ca 0.50 -1.57 -0.30 0.00 0.02 0.00 0.00 54.97 53.62 3ncm s GLU 74 Cb -0.23 -1.80 -0.05 0.00 0.10 0.00 0.00 34.13 32.15 3ncm s GLU 74 CO 0.30 -1.16 1.50 0.20 0.02 0.00 0.00 175.26 176.11 3ncm s GLY 75 N 0.84 1.63 -0.01 -1.39 0.00 0.21 0.20 107.32 108.81 3ncm s GLY 75 Ca 0.17 0.81 0.01 0.00 0.00 0.00 0.00 44.72 45.71 3ncm s GLY 75 CO -0.03 2.79 -0.05 -1.60 0.00 0.00 0.00 173.10 174.22 3ncm s ARG 76 N 3.52 0.40 -0.02 2.90 3.52 0.26 -0.66 118.95 128.87 3ncm s ARG 76 Ca 0.67 -0.16 0.07 0.00 -0.13 0.00 0.00 55.73 56.18 3ncm s ARG 76 Cb -0.30 -0.40 -0.02 0.00 -1.56 0.00 0.00 34.95 32.67 3ncm s ARG 76 CO 0.25 0.09 -0.23 0.42 -0.81 0.00 0.00 175.30 175.02 3ncm s ILE 77 N -0.03 1.80 -0.18 4.11 1.01 -0.73 -2.53 121.20 124.65 3ncm s ILE 77 Ca 0.01 -0.97 -0.09 0.00 0.00 0.00 0.00 60.65 59.60 3ncm s ILE 77 Cb -0.03 -1.50 -0.22 0.00 0.01 0.00 0.00 42.46 40.72 3ncm s ILE 77 CO -0.00 0.51 0.17 0.18 0.00 0.00 0.00 174.94 175.79 3ncm n LEU 78 N 2.57 2.46 0.40 2.97 4.77 -1.26 -1.80 117.00 127.10 3ncm n LEU 78 Ca -0.16 0.21 -0.18 0.00 -0.03 0.00 0.00 56.01 55.85 3ncm n LEU 78 Cb 0.52 -1.03 -0.09 0.00 -2.33 0.00 0.00 43.42 40.50 3ncm n LEU 78 CO 0.24 0.72 0.58 0.00 -1.33 0.00 0.00 177.39 177.59 3ncm h ALA 79 N -0.16 -1.00 -1.37 -1.18 0.00 -2.00 -3.10 119.26 110.46 3ncm h ALA 79 Ca -0.46 -0.23 -0.80 0.00 0.00 0.00 0.00 54.91 53.42 3ncm h ALA 79 Cb 1.81 0.39 -0.28 0.00 0.00 0.00 0.00 17.79 19.71 3ncm h ALA 79 CO -0.05 -1.03 0.96 0.54 0.00 0.00 0.00 179.25 179.67 3ncm n ARG 80 N -5.50 5.27 0.00 0.00 1.74 -1.26 -4.97 116.66 111.94 3ncm n ARG 80 Ca -0.14 -4.66 0.00 0.00 -0.77 0.00 0.00 57.85 52.28 3ncm n ARG 80 Cb 0.41 -2.47 0.00 0.00 -1.02 0.00 0.00 32.46 29.38 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 0.12 0.00 3.43 -0.13 0.00 -1.17 -4.73 105.19 102.71 3ncm n GLY 81 Ca 0.44 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.15 3ncm n GLY 81 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ncm s GLU 82 N 0.00 2.04 -0.41 1.61 2.02 -0.75 -4.94 118.70 118.27 3ncm s GLU 82 Ca 0.00 -0.99 0.08 0.00 0.02 0.00 0.00 54.97 54.08 3ncm s GLU 82 Cb 0.00 -2.15 0.27 0.00 0.10 0.00 0.00 34.13 32.34 3ncm s GLU 82 CO 0.00 0.54 0.58 0.44 0.02 0.00 0.00 175.26 176.84 3ncm n ILE 83 N 1.64 -0.27 -2.77 -1.63 -5.35 -1.26 -1.78 119.36 107.94 3ncm n ILE 83 Ca -0.16 -4.24 -0.31 0.00 -0.27 0.00 0.00 62.75 57.77 3ncm n ILE 83 Cb 0.52 -1.70 -0.03 0.00 -1.74 0.00 0.00 39.64 36.69 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 -1.54 6.53 0.29 7.28 -0.87 0.16 -4.91 114.94 121.89 3ncm s ASN 84 Ca 0.36 1.20 -0.13 0.00 -1.57 0.00 0.00 52.86 52.73 3ncm s ASN 84 Cb 0.20 -2.35 0.05 0.00 -0.02 0.00 0.00 41.25 39.13 3ncm s ASN 84 CO -0.10 -0.43 0.67 2.22 -2.57 0.00 0.00 177.10 176.88 3ncm n PHE 85 N -1.37 -1.96 -3.64 2.20 1.16 -1.26 0.67 117.46 113.26 3ncm n PHE 85 Ca 0.03 -1.41 -0.04 0.00 -1.87 0.00 0.00 57.45 54.15 3ncm n PHE 85 Cb 0.54 0.70 -0.01 0.00 -1.61 0.00 0.00 39.48 39.10 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 -2.07 0.86 -0.30 3.97 2.47 0.14 -4.94 119.74 119.88 3ncm s LYS 86 Ca 0.14 -0.43 -0.05 0.00 -1.56 0.00 0.00 55.97 54.07 3ncm s LYS 86 Cb -0.04 0.33 0.03 0.00 -1.46 0.00 0.00 37.83 36.69 3ncm s LYS 86 CO 0.09 -0.39 0.05 0.16 0.16 0.00 0.00 175.35 175.41 3ncm s ASP 87 N -2.74 4.97 -0.29 1.43 -4.77 -1.26 -0.35 116.67 113.67 3ncm s ASP 87 Ca 0.10 -0.94 -0.11 0.00 -3.30 0.00 0.00 52.55 48.30 3ncm s ASP 87 Cb -0.00 -1.81 -0.04 0.00 -1.09 0.00 0.00 42.92 39.98 3ncm s ASP 87 CO -0.03 -0.23 0.18 -0.63 0.70 0.00 0.00 175.17 175.17 3ncm s ILE 88 N 1.40 5.13 -0.09 2.11 1.09 0.99 -4.82 121.20 127.02 3ncm s ILE 88 Ca -0.00 0.03 -0.26 0.00 -1.10 0.00 0.00 60.65 59.31 3ncm s ILE 88 Cb -0.18 -3.48 -0.02 0.00 -1.06 0.00 0.00 42.46 37.71 3ncm s ILE 88 CO 0.01 0.21 0.85 -1.10 -0.10 0.00 0.00 174.94 174.80 3ncm s GLN 89 N 1.73 4.42 -0.07 2.79 -0.21 0.77 0.48 119.66 129.56 3ncm s GLN 89 Ca 0.07 1.11 0.05 0.00 0.02 0.00 0.00 55.36 56.61 3ncm s GLN 89 Cb -0.16 -3.50 -0.00 0.00 1.00 0.00 0.00 33.01 30.34 3ncm s GLN 89 CO 0.10 -0.14 -0.23 0.08 -2.12 0.00 0.00 175.29 172.98 3ncm s VAL 90 N 1.45 1.94 0.06 1.09 1.01 -0.10 0.90 120.40 126.74 3ncm s VAL 90 Ca 0.42 -0.98 0.07 0.00 0.00 0.00 0.00 61.98 61.50 3ncm s VAL 90 Cb -0.18 -1.66 -0.03 0.00 0.00 0.00 0.00 36.38 34.51 3ncm s VAL 90 CO 0.18 0.54 -0.19 -0.63 0.00 0.00 0.00 175.10 175.00 3ncm s ILE 91 N 0.12 1.54 0.00 2.22 1.01 -0.67 0.06 121.20 125.49 3ncm s ILE 91 Ca -0.11 -1.24 0.00 0.00 0.00 0.00 0.00 60.65 59.30 3ncm s ILE 91 Cb -0.15 -1.37 0.00 0.00 0.01 0.00 0.00 42.46 40.95 3ncm s ILE 91 CO 0.06 0.09 0.00 0.55 0.00 0.00 0.00 174.94 175.64