#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 -0.36 -0.33 -3.48 1.01 -1.22 0.30 120.40 116.32 3ncm s VAL 2 Ca 0.00 -0.31 -0.07 0.00 0.00 0.00 0.00 61.98 61.60 3ncm s VAL 2 Cb 0.00 -0.83 0.03 0.00 0.00 0.00 0.00 36.38 35.57 3ncm s VAL 2 CO 0.00 -0.34 0.11 -0.04 0.00 0.00 0.00 175.10 174.83 3ncm s MET 3 N 2.34 2.80 -0.07 2.72 -1.94 -0.85 -4.84 119.30 119.47 3ncm s MET 3 Ca 0.08 -1.06 -0.30 0.00 -1.71 0.00 0.00 55.69 52.71 3ncm s MET 3 Cb -0.15 -3.47 -0.05 0.00 2.01 0.00 0.00 34.83 33.17 3ncm s MET 3 CO -0.22 -0.60 1.62 -0.06 -0.01 0.00 0.00 175.02 175.75 3ncm s PHE 4 N 1.45 2.05 0.14 -0.03 0.40 -1.26 -0.18 117.98 120.55 3ncm s PHE 4 Ca 0.00 0.26 0.04 0.00 -0.60 0.00 0.00 56.93 56.63 3ncm s PHE 4 Cb -0.19 -3.88 -0.04 0.00 0.51 0.00 0.00 43.02 39.41 3ncm s PHE 4 CO 0.03 -3.67 -0.09 -1.59 0.70 0.00 0.00 175.22 170.61 3ncm s LYS 5 N 4.01 1.02 -0.72 0.44 -2.85 0.16 -4.92 119.74 116.89 3ncm s LYS 5 Ca 0.72 -1.44 -0.18 0.00 -1.00 0.00 0.00 55.97 54.07 3ncm s LYS 5 Cb -0.32 -0.52 0.03 0.00 -2.06 0.00 0.00 37.83 34.95 3ncm s LYS 5 CO 0.28 0.04 0.34 -1.71 0.10 0.00 0.00 175.35 174.41 3ncm n ASN 6 N -0.17 -1.99 -3.83 0.03 5.15 -1.26 -1.09 115.26 112.10 3ncm n ASN 6 Ca -0.10 -0.75 -0.28 0.00 -0.60 0.00 0.00 54.58 52.85 3ncm n ASN 6 Cb 0.61 -0.90 -0.12 0.00 -0.53 0.00 0.00 39.78 38.84 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 -3.29 3.44 -1.91 5.20 0.00 -1.26 -2.76 120.51 119.93 3ncm n ALA 7 Ca -0.08 -4.46 -0.43 0.00 0.00 0.00 0.00 53.44 48.47 3ncm n ALA 7 Cb 0.33 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.75 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 -1.47 3.65 -0.00 0.00 0.05 -1.25 -4.94 135.00 131.05 3ncm s PRO 8 Ca 0.27 1.88 -0.08 0.00 0.05 0.00 0.00 61.00 63.12 3ncm s PRO 8 Cb -0.02 -4.15 -0.04 0.00 0.05 0.00 0.00 34.50 30.34 3ncm s PRO 8 CO -0.16 -1.48 0.73 1.79 0.05 0.00 0.00 177.00 177.92 3ncm h THR 9 N 6.36 0.00 -0.79 1.26 1.35 -1.88 -3.38 112.91 115.83 3ncm h THR 9 Ca -0.38 -0.13 -0.37 0.00 -0.55 0.00 0.00 66.41 64.99 3ncm h THR 9 Cb 1.19 0.00 -0.06 0.00 -1.73 0.00 0.00 68.15 67.55 3ncm h THR 9 CO 0.99 0.00 0.95 -2.16 -0.25 0.00 0.00 175.52 175.04 3ncm s PRO 10 N -2.89 2.80 0.45 4.72 0.05 -1.25 0.41 135.00 139.29 3ncm s PRO 10 Ca -0.04 -0.56 0.08 0.00 0.05 0.00 0.00 61.00 60.54 3ncm s PRO 10 Cb 0.00 -5.15 0.02 0.00 0.05 0.00 0.00 34.50 29.43 3ncm s PRO 10 CO 0.12 -3.14 0.60 1.14 0.05 0.00 0.00 177.00 175.77 3ncm s GLN 11 N 6.48 2.71 -0.21 4.56 -2.07 0.22 -4.96 119.66 126.40 3ncm s GLN 11 Ca 0.64 -1.34 -0.11 0.00 -1.82 0.00 0.00 55.36 52.74 3ncm s GLN 11 Cb -0.05 -2.72 0.08 0.00 -1.09 0.00 0.00 33.01 29.23 3ncm s GLN 11 CO -0.02 -0.39 0.50 -1.83 -1.32 0.00 0.00 175.29 172.24 3ncm s GLU 12 N -4.40 0.47 0.00 9.60 -1.05 -1.26 -1.35 118.70 120.71 3ncm s GLU 12 Ca 0.56 0.99 0.00 0.00 -0.15 0.00 0.00 54.97 56.37 3ncm s GLU 12 Cb -0.09 0.15 0.00 0.00 -0.44 0.00 0.00 34.13 33.75 3ncm s GLU 12 CO 0.34 -0.18 0.00 1.19 0.95 0.00 0.00 175.26 177.56 3ncm n PHE 13 N 4.57 0.00 -4.81 4.83 3.72 0.17 -4.95 117.46 120.99 3ncm n PHE 13 Ca -0.19 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 56.95 3ncm n PHE 13 Cb 0.55 0.00 -0.15 0.00 -0.94 0.00 0.00 39.48 38.94 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 -0.20 1.52 0.40 -1.08 0.00 -1.26 -4.27 119.74 114.85 3ncm s LYS 14 Ca 0.00 -0.85 -0.26 0.00 0.00 0.00 0.00 55.97 54.86 3ncm s LYS 14 Cb 0.00 -1.56 -0.11 0.00 0.00 0.00 0.00 37.83 36.16 3ncm s LYS 14 CO 0.00 0.41 1.26 -0.85 0.00 0.00 0.00 175.35 176.18 3ncm n GLU 15 N 2.18 1.96 -1.07 1.78 0.28 -1.26 -1.72 120.64 122.79 3ncm n GLU 15 Ca -0.16 0.70 -0.03 0.00 -0.16 0.00 0.00 57.16 57.51 3ncm n GLU 15 Cb 0.53 -2.35 -0.01 0.00 1.43 0.00 0.00 31.44 31.04 3ncm n GLU 15 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3ncm n GLY 16 N 0.82 0.50 3.83 -1.84 0.00 0.32 -4.99 105.19 103.82 3ncm n GLY 16 Ca 0.06 -0.17 -0.25 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.40 2.98 -0.86 1.61 2.56 0.40 -4.57 118.70 119.42 3ncm s GLU 17 Ca 0.00 -0.87 -0.25 0.00 0.00 0.00 0.00 54.97 53.85 3ncm s GLU 17 Cb 0.00 -2.67 0.05 0.00 2.00 0.00 0.00 34.13 33.50 3ncm s GLU 17 CO 0.00 0.47 1.32 -0.51 -0.56 0.00 0.00 175.26 175.98 3ncm s ASP 18 N -3.29 6.32 0.39 -1.70 1.11 -1.26 0.58 116.67 118.82 3ncm s ASP 18 Ca 0.32 -0.98 0.05 0.00 0.18 0.00 0.00 52.55 52.12 3ncm s ASP 18 Cb -0.10 -2.54 -0.00 0.00 1.07 0.00 0.00 42.92 41.35 3ncm s ASP 18 CO 0.24 -1.64 0.55 0.00 1.18 0.00 0.00 175.17 175.51 3ncm s ALA 19 N 5.14 4.17 -0.00 5.23 0.00 -0.58 -4.88 121.76 130.84 3ncm s ALA 19 Ca 0.38 -1.41 -0.00 0.00 0.00 0.00 0.00 51.96 50.93 3ncm s ALA 19 Cb -0.05 -1.79 0.00 0.00 0.00 0.00 0.00 23.12 21.28 3ncm s ALA 19 CO 0.03 -0.20 0.00 0.08 0.00 0.00 0.00 175.76 175.67 3ncm s VAL 20 N -2.33 0.00 -0.32 0.00 1.01 -1.26 0.01 120.40 117.52 3ncm s VAL 20 Ca 0.48 -0.00 -0.17 0.00 0.00 0.00 0.00 61.98 62.29 3ncm s VAL 20 Cb -0.10 -0.01 -0.02 0.00 0.00 0.00 0.00 36.38 36.25 3ncm s VAL 20 CO 0.33 -0.00 0.44 -0.63 0.00 0.00 0.00 175.10 175.24 3ncm s ILE 21 N -0.01 5.10 -0.20 2.22 1.01 0.34 -4.84 121.20 124.82 3ncm s ILE 21 Ca -0.00 0.40 -0.29 0.00 0.00 0.00 0.00 60.65 60.76 3ncm s ILE 21 Cb -0.00 -3.84 -0.00 0.00 0.01 0.00 0.00 42.46 38.62 3ncm s ILE 21 CO -0.00 -0.05 1.18 -0.69 0.00 0.00 0.00 174.94 175.38 3ncm s VAL 22 N 2.21 4.41 -0.38 2.92 1.01 -1.26 -2.27 120.40 127.04 3ncm s VAL 22 Ca 0.16 1.70 0.06 0.00 0.00 0.00 0.00 61.98 63.90 3ncm s VAL 22 Cb -0.16 -4.13 0.18 0.00 0.00 0.00 0.00 36.38 32.27 3ncm s VAL 22 CO 0.11 -0.19 0.66 0.00 0.00 0.00 0.00 175.10 175.68 3ncm s ASP 24 N 2.06 6.87 -0.11 0.00 1.01 -0.25 -4.38 116.67 121.86 3ncm s ASP 24 Ca 0.15 1.04 -0.05 0.00 0.71 0.00 0.00 52.55 54.40 3ncm s ASP 24 Cb -0.05 -2.28 0.05 0.00 1.01 0.00 0.00 42.92 41.66 3ncm s ASP 24 CO -0.11 0.29 0.26 -0.69 0.21 0.00 0.00 175.17 175.12 3ncm s VAL 25 N -1.13 -0.11 -1.25 -1.27 1.01 -1.26 0.40 120.40 116.79 3ncm s VAL 25 Ca 0.26 0.17 -0.11 0.00 0.00 0.00 0.00 61.98 62.30 3ncm s VAL 25 Cb -0.17 -0.40 0.17 0.00 0.00 0.00 0.00 36.38 35.98 3ncm s VAL 25 CO 0.15 0.07 1.70 0.52 0.00 0.00 0.00 175.10 177.55 3ncm n VAL 26 N 4.44 4.31 -1.78 2.92 0.31 0.74 -4.84 118.33 124.43 3ncm n VAL 26 Ca -0.22 -4.53 -0.31 0.00 -0.01 0.00 0.00 64.34 59.28 3ncm n VAL 26 Cb 0.52 -2.40 0.04 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 1.66 5.65 0.00 4.52 0.01 -1.25 -2.01 113.70 122.27 3ncm s SER 27 Ca 0.41 1.37 0.00 0.00 1.31 0.00 0.00 55.95 59.04 3ncm s SER 27 Cb 0.05 -2.28 0.00 0.00 0.21 0.00 0.00 66.02 64.00 3ncm s SER 27 CO 0.00 -1.24 0.59 -0.24 0.41 0.00 0.00 173.24 172.76 3ncm n SER 28 N -2.97 0.00 0.06 2.44 2.88 0.15 -4.82 113.62 111.35 3ncm n SER 28 Ca 0.07 0.59 0.00 0.00 -1.33 0.00 0.00 58.87 58.19 3ncm n SER 28 Cb 0.55 -0.09 0.00 0.00 -0.75 0.00 0.00 64.21 63.92 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 -1.28 -1.00 0.20 2.46 4.77 -1.26 -4.91 117.00 115.97 3ncm n LEU 29 Ca 0.00 0.48 -0.15 0.00 -0.03 0.00 0.00 56.01 56.31 3ncm n LEU 29 Cb 0.00 1.23 -0.08 0.00 -2.33 0.00 0.00 43.42 42.24 3ncm n LEU 29 CO 0.00 0.04 0.75 1.55 -1.33 0.00 0.00 177.39 178.40 3ncm h PRO 30 N 0.00 -0.45 0.00 3.23 0.14 -2.00 -3.44 132.00 129.48 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 -0.30 0.00 -2.30 0.14 0.00 0.00 178.00 175.54 3ncm n PRO 31 N -5.30 -0.51 -1.55 1.56 -0.02 -1.26 -5.09 135.00 122.83 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 -1.99 0.00 -3.95 3.45 -1.04 -1.07 -4.98 114.28 104.70 3ncm n THR 32 Ca 0.00 -0.01 -0.37 0.00 -2.04 0.00 0.00 64.05 61.64 3ncm n THR 32 Cb 0.00 0.01 -0.06 0.00 -1.82 0.00 0.00 70.33 68.46 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 -2.48 5.35 -0.20 12.58 2.07 -1.26 -0.61 121.20 136.65 3ncm s ILE 33 Ca 0.00 0.14 -0.08 0.00 -1.41 0.00 0.00 60.65 59.30 3ncm s ILE 33 Cb -0.00 -3.33 -0.04 0.00 0.13 0.00 0.00 42.46 39.22 3ncm s ILE 33 CO 0.00 0.61 0.09 -0.63 -1.91 0.00 0.00 174.94 173.09 3ncm s ILE 34 N -1.02 4.91 -0.39 2.00 1.09 0.82 -4.82 121.20 123.78 3ncm s ILE 34 Ca 0.15 0.01 -0.21 0.00 -1.10 0.00 0.00 60.65 59.50 3ncm s ILE 34 Cb -0.12 -3.23 0.01 0.00 -1.06 0.00 0.00 42.46 38.06 3ncm s ILE 34 CO 0.04 0.43 0.67 0.26 -0.10 0.00 0.00 174.94 176.24 3ncm s TRP 35 N 0.58 3.11 0.35 3.97 0.52 -1.26 -1.30 118.94 124.89 3ncm s TRP 35 Ca 0.05 0.23 0.02 0.00 0.02 0.00 0.00 56.10 56.42 3ncm s TRP 35 Cb -0.13 -3.28 0.02 0.00 -1.15 0.00 0.00 33.47 28.94 3ncm s TRP 35 CO 0.01 -0.74 0.15 1.17 0.02 0.00 0.00 176.95 177.56 3ncm n LYS 36 N 6.21 1.06 -1.41 4.98 4.81 -0.60 -2.28 118.16 130.93 3ncm n LYS 36 Ca -0.01 -2.33 0.06 0.00 -0.87 0.00 0.00 58.31 55.17 3ncm n LYS 36 Cb 0.48 0.42 -0.03 0.00 0.02 0.00 0.00 35.03 35.92 3ncm n LYS 36 CO 0.00 0.00 0.00 1.58 1.17 0.00 0.00 177.40 180.15 3ncm n HIS 37 N -1.12 -3.84 -3.47 5.64 -0.00 -1.26 -1.69 115.22 109.47 3ncm n HIS 37 Ca -0.07 2.10 -0.25 0.00 0.46 0.00 0.00 57.72 59.95 3ncm n HIS 37 Cb 0.41 -3.34 0.02 0.00 -0.12 0.00 0.00 29.99 26.96 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 -3.10 -4.57 0.00 1.57 3.00 -1.26 -3.80 118.16 109.99 3ncm n LYS 38 Ca -0.03 0.63 0.00 0.00 -0.00 0.00 0.00 58.31 58.90 3ncm n LYS 38 Cb 0.51 -5.44 0.00 0.00 0.00 0.00 0.00 35.03 30.10 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 -1.45 0.45 2.71 3.14 0.00 -1.26 -5.02 105.19 103.76 3ncm n GLY 39 Ca -0.02 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.96 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 -3.89 -3.03 1.61 3.00 -1.25 -4.58 116.66 108.51 3ncm n ARG 40 Ca 0.00 3.00 -0.15 0.00 -0.01 0.00 0.00 57.85 60.69 3ncm n ARG 40 Cb 0.00 -4.38 0.02 0.00 0.00 0.00 0.00 32.46 28.09 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 1.71 -7.32 -0.02 0.55 8.00 -1.23 -4.90 116.55 113.34 3ncm n ASP 41 Ca -0.30 0.32 -0.10 0.00 0.71 0.00 0.00 54.79 55.41 3ncm n ASP 41 Cb 0.48 -4.44 0.04 0.00 -0.02 0.00 0.00 41.12 37.18 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 1.91 1.31 0.00 2.53 -1.51 -1.70 -3.00 116.25 115.78 3ncm h VAL 42 Ca -0.15 -1.75 0.00 0.00 -1.23 0.00 0.00 66.70 63.57 3ncm h VAL 42 Cb 1.11 1.71 0.00 0.00 -2.13 0.00 0.00 31.29 31.97 3ncm h VAL 42 CO 0.21 0.55 0.00 0.40 -1.23 0.00 0.00 177.57 177.51 3ncm h ILE 43 N 0.49 0.00 0.00 7.19 2.04 -1.91 0.36 117.51 125.67 3ncm h ILE 43 Ca 0.02 -0.01 -0.11 0.00 1.00 0.00 0.00 64.86 65.76 3ncm h ILE 43 Cb 1.08 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 37.91 3ncm h ILE 43 CO 0.10 0.00 -1.27 0.18 0.00 0.00 0.00 178.15 177.17 3ncm n LEU 44 N -2.70 0.85 -0.11 1.44 4.32 -1.14 -4.29 117.00 115.37 3ncm n LEU 44 Ca -0.02 0.36 -0.16 0.00 -0.02 0.00 0.00 56.01 56.17 3ncm n LEU 44 Cb 0.06 0.02 -0.13 0.00 -1.62 0.00 0.00 43.42 41.75 3ncm n LEU 44 CO 0.15 0.02 -1.24 2.29 -1.22 0.00 0.00 177.39 177.40 3ncm n LYS 45 N -2.81 0.67 -3.83 3.23 2.85 -0.57 -5.03 118.16 112.68 3ncm n LYS 45 Ca -0.06 0.12 -0.32 0.00 -1.05 0.00 0.00 58.31 57.00 3ncm n LYS 45 Cb 0.73 -1.54 0.02 0.00 -0.65 0.00 0.00 35.03 33.59 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 -3.12 -1.73 -0.78 -1.58 4.76 0.12 -4.92 118.16 110.91 3ncm n LYS 46 Ca -0.41 0.38 -0.34 0.00 -2.87 0.00 0.00 58.31 55.07 3ncm n LYS 46 Cb 1.04 -4.02 0.13 0.00 -1.84 0.00 0.00 35.03 30.34 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 -2.66 0.34 4.39 9.92 -1.26 -4.76 116.55 119.82 3ncm n ASP 47 Ca -0.17 -0.04 0.23 0.00 -0.53 0.00 0.00 54.79 54.28 3ncm n ASP 47 Cb 0.62 -0.86 1.22 0.00 -0.64 0.00 0.00 41.12 41.46 3ncm n ASP 47 CO 0.00 0.00 0.00 -0.37 0.13 0.00 0.00 177.20 176.96 3ncm h VAL 48 N -1.72 0.00 -0.09 2.53 -1.51 -2.01 -2.64 116.25 110.82 3ncm h VAL 48 Ca -0.49 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.98 3ncm h VAL 48 Cb 1.36 1.00 0.00 0.00 -2.13 0.00 0.00 31.29 31.52 3ncm h VAL 48 CO 0.33 0.00 0.00 -2.11 -1.23 0.00 0.00 177.57 174.56 3ncm n ARG 49 N -3.08 1.21 -3.55 5.19 1.85 -1.26 -4.93 116.66 112.09 3ncm n ARG 49 Ca -0.03 -1.29 -0.41 0.00 -1.00 0.00 0.00 57.85 55.12 3ncm n ARG 49 Cb 0.07 -1.14 -0.11 0.00 -1.05 0.00 0.00 32.46 30.24 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 -0.74 3.23 -0.24 2.89 0.40 -1.00 0.45 117.98 122.98 3ncm s PHE 50 Ca 0.10 -0.70 -0.02 0.00 -0.60 0.00 0.00 56.93 55.71 3ncm s PHE 50 Cb 0.06 -2.49 0.08 0.00 0.51 0.00 0.00 43.02 41.18 3ncm s PHE 50 CO 0.08 -0.57 0.05 0.42 0.70 0.00 0.00 175.22 175.90 3ncm s ILE 51 N 1.62 0.74 0.22 0.64 1.01 -0.67 -4.52 121.20 120.24 3ncm s ILE 51 Ca 0.04 -0.95 -0.30 0.00 0.00 0.00 0.00 60.65 59.44 3ncm s ILE 51 Cb -0.19 -1.34 -0.08 0.00 0.01 0.00 0.00 42.46 40.85 3ncm s ILE 51 CO 0.08 -0.39 1.16 -0.69 0.00 0.00 0.00 174.94 175.10 3ncm s VAL 52 N 1.73 3.56 0.55 2.92 1.01 -1.26 -1.66 120.40 127.25 3ncm s VAL 52 Ca 0.03 1.39 -0.02 0.00 0.00 0.00 0.00 61.98 63.38 3ncm s VAL 52 Cb -0.17 -3.89 0.02 0.00 0.00 0.00 0.00 36.38 32.34 3ncm s VAL 52 CO -0.15 0.26 0.81 -0.76 0.00 0.00 0.00 175.10 175.26 3ncm s LEU 53 N -0.65 3.31 0.63 3.92 1.43 -0.36 -4.93 118.68 122.04 3ncm s LEU 53 Ca 0.50 0.35 0.39 0.00 -1.03 0.00 0.00 54.13 54.34 3ncm s LEU 53 Cb -0.32 -3.18 2.16 0.00 0.03 0.00 0.00 46.19 44.88 3ncm s LEU 53 CO 0.38 -1.05 2.31 0.77 0.23 0.00 0.00 176.35 178.99 3ncm h SER 54 N 0.01 0.00 -0.32 2.29 4.64 -1.96 -1.50 113.55 116.71 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 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 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 -3.32 3.18 -1.47 4.97 6.94 -1.26 -4.89 115.26 119.40 3ncm n ASN 55 Ca -0.03 -2.38 -0.12 0.00 -0.02 0.00 0.00 54.58 52.02 3ncm n ASN 55 Cb 0.10 -0.53 -0.00 0.00 -2.36 0.00 0.00 39.78 36.99 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 0.39 -3.96 -4.95 0.53 4.13 -0.57 -4.55 115.26 106.28 3ncm n ASN 56 Ca 0.14 -0.03 -0.20 0.00 1.68 0.00 0.00 54.58 56.17 3ncm n ASN 56 Cb 0.66 -3.12 -0.01 0.00 -1.54 0.00 0.00 39.78 35.76 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 -2.66 3.06 -0.32 3.10 1.51 -1.25 -4.46 117.35 116.33 3ncm s TYR 57 Ca 0.02 -0.24 0.04 0.00 -1.01 0.00 0.00 57.07 55.88 3ncm s TYR 57 Cb -0.01 -1.94 0.09 0.00 -0.11 0.00 0.00 41.96 39.99 3ncm s TYR 57 CO 0.03 0.04 0.01 -1.17 -1.11 0.00 0.00 175.55 173.35 3ncm s LEU 58 N -4.12 4.41 -0.65 -1.29 2.96 -0.96 -1.22 118.68 117.80 3ncm s LEU 58 Ca 0.44 -1.96 -0.28 0.00 -0.22 0.00 0.00 54.13 52.11 3ncm s LEU 58 Cb -0.08 -1.61 0.03 0.00 0.50 0.00 0.00 46.19 45.03 3ncm s LEU 58 CO 0.30 -0.33 1.23 -1.10 -1.32 0.00 0.00 176.35 175.13 3ncm s GLN 59 N 0.96 3.37 -0.51 1.98 -0.21 -0.67 -0.50 119.66 124.08 3ncm s GLN 59 Ca 0.06 0.03 -0.18 0.00 0.02 0.00 0.00 55.36 55.29 3ncm s GLN 59 Cb -0.19 -4.09 0.07 0.00 1.00 0.00 0.00 33.01 29.80 3ncm s GLN 59 CO -0.07 -1.89 0.57 0.42 -2.12 0.00 0.00 175.29 172.20 3ncm s ILE 60 N 5.31 4.97 -0.24 1.08 1.01 0.10 -1.66 121.20 131.76 3ncm s ILE 60 Ca 0.39 -0.72 -0.29 0.00 0.00 0.00 0.00 60.65 60.04 3ncm s ILE 60 Cb -0.08 -4.28 -0.03 0.00 0.01 0.00 0.00 42.46 38.09 3ncm s ILE 60 CO 0.21 -0.78 1.73 -0.60 0.00 0.00 0.00 174.94 175.50 3ncm s ARG 61 N 2.36 3.62 0.00 2.79 3.00 0.17 -1.52 118.95 129.37 3ncm s ARG 61 Ca 0.12 1.66 0.00 0.00 -1.00 0.00 0.00 55.73 56.51 3ncm s ARG 61 Cb -0.21 -4.12 0.00 0.00 0.00 0.00 0.00 34.95 30.62 3ncm s ARG 61 CO 0.10 -1.51 0.00 0.41 0.00 0.00 0.00 175.30 174.30 3ncm n GLY 62 N 4.98 3.11 3.64 8.12 0.00 0.20 -4.78 105.19 120.46 3ncm n GLY 62 Ca 0.21 -0.89 -0.24 0.00 0.00 0.00 0.00 46.02 45.09 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 -4.37 -0.95 -0.61 0.13 -1.12 0.12 119.36 112.55 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 -3.58 0.14 0.00 -0.84 0.00 0.00 39.64 35.36 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 -4.22 1.47 0.57 9.51 1.02 -1.26 -3.94 119.74 122.88 3ncm s LYS 64 Ca 0.08 1.54 0.32 0.00 0.02 0.00 0.00 55.97 57.93 3ncm s LYS 64 Cb -0.01 -1.78 1.75 0.00 -0.52 0.00 0.00 37.83 37.28 3ncm s LYS 64 CO 0.88 -2.30 2.18 0.87 -0.92 0.00 0.00 175.35 176.06 3ncm h LYS 65 N -1.39 0.00 0.00 1.68 1.57 -1.91 -1.47 116.57 115.05 3ncm h LYS 65 Ca -0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 3ncm h LYS 65 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.58 3ncm h LYS 65 CO 0.45 0.05 -0.07 1.79 -0.57 0.00 0.00 179.45 181.10 3ncm h THR 66 N 0.00 0.00 -0.53 -0.16 1.35 -1.95 -3.24 112.91 108.38 3ncm h THR 66 Ca -0.00 -0.73 0.00 0.00 -0.55 0.00 0.00 66.41 65.13 3ncm h THR 66 Cb 0.18 1.69 0.00 0.00 -1.73 0.00 0.00 68.15 68.29 3ncm h THR 66 CO 0.01 0.00 0.00 0.47 -0.25 0.00 0.00 175.52 175.75 3ncm n ASP 67 N -2.64 2.85 -4.89 5.36 9.92 -0.55 -4.92 116.55 121.68 3ncm n ASP 67 Ca 0.05 -2.00 -0.34 0.00 -0.53 0.00 0.00 54.79 51.96 3ncm n ASP 67 Cb 0.48 -0.36 -0.05 0.00 -0.64 0.00 0.00 41.12 40.55 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 -1.29 3.54 0.00 -1.24 -1.05 -1.22 -4.92 118.70 112.52 3ncm s GLU 68 Ca 0.36 -0.13 0.00 0.00 -0.15 0.00 0.00 54.97 55.05 3ncm s GLU 68 Cb 0.19 -3.09 0.00 0.00 -0.44 0.00 0.00 34.13 30.79 3ncm s GLU 68 CO 0.24 0.66 0.00 0.41 0.95 0.00 0.00 175.26 177.52 3ncm n GLY 69 N 1.14 -1.27 2.74 -3.83 0.00 0.20 -4.95 105.19 99.22 3ncm n GLY 69 Ca -0.12 0.57 -0.19 0.00 0.00 0.00 0.00 46.02 46.28 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 -0.35 0.04 2.61 2.01 -1.26 -0.22 115.64 118.46 3ncm s THR 70 Ca 0.00 -0.41 -0.26 0.00 0.31 0.00 0.00 61.69 61.33 3ncm s THR 70 Cb 0.00 -0.90 -0.05 0.00 0.01 0.00 0.00 72.50 71.56 3ncm s THR 70 CO 0.00 -0.42 0.80 -0.31 -0.69 0.00 0.00 174.62 174.00 3ncm s TYR 71 N 2.33 3.72 -0.26 4.92 1.51 0.15 -4.51 117.35 125.22 3ncm s TYR 71 Ca 0.09 1.51 -0.15 0.00 -1.01 0.00 0.00 57.07 57.51 3ncm s TYR 71 Cb -0.15 -2.87 -0.04 0.00 -0.11 0.00 0.00 41.96 38.80 3ncm s TYR 71 CO -0.28 0.22 0.38 0.50 -1.11 0.00 0.00 175.55 175.27 3ncm s ARG 72 N 0.12 4.04 -0.19 -0.62 3.52 -0.68 0.10 118.95 125.24 3ncm s ARG 72 Ca 0.40 0.07 -0.24 0.00 -0.13 0.00 0.00 55.73 55.83 3ncm s ARG 72 Cb -0.21 -3.64 -0.01 0.00 -1.56 0.00 0.00 34.95 29.53 3ncm s ARG 72 CO 0.24 -0.25 0.80 0.00 -0.81 0.00 0.00 175.30 175.28 3ncm s GLU 74 N 2.31 1.69 -0.32 0.00 2.02 -0.42 -0.49 118.70 123.50 3ncm s GLU 74 Ca 0.36 -2.42 -0.28 0.00 0.02 0.00 0.00 54.97 52.64 3ncm s GLU 74 Cb -0.16 -2.82 -0.02 0.00 0.10 0.00 0.00 34.13 31.23 3ncm s GLU 74 CO 0.11 -1.16 1.76 0.20 0.02 0.00 0.00 175.26 176.18 3ncm s GLY 75 N -0.14 0.86 -0.02 -1.39 0.00 0.19 -0.13 107.32 106.69 3ncm s GLY 75 Ca 0.19 0.28 0.06 0.00 0.00 0.00 0.00 44.72 45.25 3ncm s GLY 75 CO -0.03 3.22 -0.19 -1.60 0.00 0.00 0.00 173.10 174.50 3ncm s ARG 76 N 5.50 1.67 -0.04 2.90 3.52 0.22 -1.17 118.95 131.55 3ncm s ARG 76 Ca 0.78 -0.69 0.07 0.00 -0.13 0.00 0.00 55.73 55.76 3ncm s ARG 76 Cb -0.23 -1.57 -0.02 0.00 -1.56 0.00 0.00 34.95 31.58 3ncm s ARG 76 CO 0.33 0.39 -0.25 0.42 -0.81 0.00 0.00 175.30 175.38 3ncm s ILE 77 N -0.35 2.12 -0.20 4.11 1.01 -0.59 -2.61 121.20 124.70 3ncm s ILE 77 Ca 0.05 -1.06 -0.13 0.00 0.00 0.00 0.00 60.65 59.51 3ncm s ILE 77 Cb -0.09 -1.75 -0.20 0.00 0.01 0.00 0.00 42.46 40.43 3ncm s ILE 77 CO -0.00 0.58 0.12 0.18 0.00 0.00 0.00 174.94 175.81 3ncm n LEU 78 N 2.67 2.25 0.33 2.97 4.77 -1.26 -1.76 117.00 126.97 3ncm n LEU 78 Ca -0.17 0.28 -0.17 0.00 -0.03 0.00 0.00 56.01 55.92 3ncm n LEU 78 Cb 0.51 -0.99 -0.09 0.00 -2.33 0.00 0.00 43.42 40.53 3ncm n LEU 78 CO 0.24 0.59 0.63 0.00 -1.33 0.00 0.00 177.39 177.52 3ncm h ALA 79 N -0.34 -0.89 -1.42 -1.18 0.00 -2.00 -2.97 119.26 110.46 3ncm h ALA 79 Ca -0.46 -0.18 -0.79 0.00 0.00 0.00 0.00 54.91 53.49 3ncm h ALA 79 Cb 1.66 0.43 -0.29 0.00 0.00 0.00 0.00 17.79 19.59 3ncm h ALA 79 CO -0.14 -1.02 0.84 0.54 0.00 0.00 0.00 179.25 179.48 3ncm n ARG 80 N -5.49 5.14 0.00 0.00 1.74 -1.26 -4.98 116.66 111.81 3ncm n ARG 80 Ca -0.12 -4.68 0.00 0.00 -0.77 0.00 0.00 57.85 52.28 3ncm n ARG 80 Cb 0.38 -2.45 0.00 0.00 -1.02 0.00 0.00 32.46 29.37 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 0.05 0.00 3.40 -0.13 0.00 -1.12 -4.75 105.19 102.64 3ncm n GLY 81 Ca 0.43 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 1.85 0.00 0.00 0.00 173.32 175.17 3ncm s GLU 82 N 0.00 2.01 -0.44 1.61 2.12 -0.72 -4.95 118.70 118.33 3ncm s GLU 82 Ca 0.00 -1.00 0.07 0.00 0.36 0.00 0.00 54.97 54.39 3ncm s GLU 82 Cb 0.00 -2.11 0.22 0.00 0.26 0.00 0.00 34.13 32.50 3ncm s GLU 82 CO 0.00 0.54 0.49 0.44 -0.54 0.00 0.00 175.26 176.19 3ncm n ILE 83 N 1.78 -0.43 -3.36 -3.70 -5.35 -1.26 -1.53 119.36 105.50 3ncm n ILE 83 Ca -0.16 -4.01 -0.34 0.00 -0.27 0.00 0.00 62.75 57.97 3ncm n ILE 83 Cb 0.52 -1.90 -0.06 0.00 -1.74 0.00 0.00 39.64 36.46 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 -0.98 6.73 0.28 7.28 -0.87 -0.31 -4.93 114.94 122.14 3ncm s ASN 84 Ca 0.34 1.03 -0.09 0.00 -1.57 0.00 0.00 52.86 52.57 3ncm s ASN 84 Cb 0.12 -2.27 0.03 0.00 -0.02 0.00 0.00 41.25 39.12 3ncm s ASN 84 CO -0.13 -0.00 0.53 2.22 -2.57 0.00 0.00 177.10 177.15 3ncm n PHE 85 N 0.29 -1.81 -3.63 2.20 1.16 -1.26 0.53 117.46 114.93 3ncm n PHE 85 Ca -0.02 -1.46 -0.05 0.00 -1.87 0.00 0.00 57.45 54.05 3ncm n PHE 85 Cb 0.52 0.62 -0.02 0.00 -1.61 0.00 0.00 39.48 38.99 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 -2.20 0.90 -0.35 3.97 2.47 0.36 -4.96 119.74 119.94 3ncm s LYS 86 Ca 0.14 -0.43 -0.06 0.00 -1.56 0.00 0.00 55.97 54.06 3ncm s LYS 86 Cb -0.03 0.35 0.05 0.00 -1.46 0.00 0.00 37.83 36.74 3ncm s LYS 86 CO 0.10 -0.41 0.11 0.16 0.16 0.00 0.00 175.35 175.48 3ncm s ASP 87 N -2.71 5.28 -0.37 1.43 -4.77 -1.26 -0.86 116.67 113.41 3ncm s ASP 87 Ca 0.09 -1.26 -0.19 0.00 -3.30 0.00 0.00 52.55 47.89 3ncm s ASP 87 Cb -0.01 -1.85 0.00 0.00 -1.09 0.00 0.00 42.92 39.98 3ncm s ASP 87 CO -0.03 -0.35 0.56 -0.63 0.70 0.00 0.00 175.17 175.42 3ncm s ILE 88 N 1.36 4.95 -0.60 2.11 1.09 0.12 -4.81 121.20 125.42 3ncm s ILE 88 Ca -0.01 0.33 -0.28 0.00 -1.10 0.00 0.00 60.65 59.60 3ncm s ILE 88 Cb -0.20 -4.04 0.03 0.00 -1.06 0.00 0.00 42.46 37.19 3ncm s ILE 88 CO 0.02 -0.32 1.18 -1.10 -0.10 0.00 0.00 174.94 174.62 3ncm s GLN 89 N 2.54 3.44 -0.15 2.79 -0.21 0.16 0.35 119.66 128.58 3ncm s GLN 89 Ca 0.21 0.11 -0.08 0.00 0.02 0.00 0.00 55.36 55.62 3ncm s GLN 89 Cb -0.15 -4.05 -0.04 0.00 1.00 0.00 0.00 33.01 29.77 3ncm s GLN 89 CO 0.15 -1.74 0.14 0.08 -2.12 0.00 0.00 175.29 171.79 3ncm s VAL 90 N 4.98 5.47 0.17 1.09 1.01 0.69 0.72 120.40 134.53 3ncm s VAL 90 Ca 0.40 0.21 0.07 0.00 0.00 0.00 0.00 61.98 62.66 3ncm s VAL 90 Cb -0.08 -3.43 -0.04 0.00 0.00 0.00 0.00 36.38 32.83 3ncm s VAL 90 CO 0.23 0.56 -0.16 -0.63 0.00 0.00 0.00 175.10 175.10 3ncm s ILE 91 N -0.54 1.64 0.00 2.22 1.01 -0.46 0.61 121.20 125.68 3ncm s ILE 91 Ca 0.13 -1.98 0.00 0.00 0.00 0.00 0.00 60.65 58.80 3ncm s ILE 91 Cb -0.12 -1.84 0.00 0.00 0.01 0.00 0.00 42.46 40.52 3ncm s ILE 91 CO 0.02 -0.46 0.00 0.55 0.00 0.00 0.00 174.94 175.05