#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cxh s PRO 3 N 0.00 2.86 -0.27 1.61 0.02 -1.26 -5.02 135.00 132.95 3cxh s PRO 3 Ca 0.00 1.36 -0.29 0.00 0.02 0.00 0.00 61.00 62.09 3cxh s PRO 3 Cb 0.00 -1.96 0.01 0.00 0.02 0.00 0.00 34.50 32.57 3cxh s PRO 3 CO 0.00 -1.20 1.04 -2.14 -0.33 0.00 0.00 177.00 174.37 3cxh s PRO 4 N -4.12 4.16 0.42 5.54 0.02 -1.26 -5.05 135.00 134.72 3cxh s PRO 4 Ca 0.66 1.20 0.08 0.00 0.02 0.00 0.00 61.00 62.96 3cxh s PRO 4 Cb -0.20 -3.68 0.01 0.00 0.02 0.00 0.00 34.50 30.65 3cxh s PRO 4 CO 0.41 -0.75 0.55 0.45 -0.33 0.00 0.00 177.00 177.34 3cxh s SER 5 N 1.41 5.59 0.82 2.53 0.15 -1.26 -5.10 113.70 117.85 3cxh s SER 5 Ca 0.44 -0.46 -0.10 0.00 0.70 0.00 0.00 55.95 56.53 3cxh s SER 5 Cb -0.14 -0.64 0.09 0.00 -1.71 0.00 0.00 66.02 63.62 3cxh s SER 5 CO 0.10 -0.76 1.11 -0.83 1.20 0.00 0.00 173.24 174.07 3cxh s GLY 6 N -4.33 1.69 0.35 9.45 0.00 -1.26 -5.03 107.32 108.19 3cxh s GLY 6 Ca 0.54 0.39 -0.22 0.00 0.00 0.00 0.00 44.72 45.43 3cxh s GLY 6 CO 0.33 0.76 0.89 0.54 0.00 0.00 0.00 173.10 175.62 3cxh s LYS 7 N -4.80 4.33 0.32 2.90 1.02 -1.26 -5.08 119.74 117.17 3cxh s LYS 7 Ca 0.63 1.10 0.06 0.00 0.02 0.00 0.00 55.97 57.79 3cxh s LYS 7 Cb -0.19 -2.53 -0.02 0.00 -0.52 0.00 0.00 37.83 34.56 3cxh s LYS 7 CO 0.57 0.16 0.21 0.25 -0.92 0.00 0.00 175.35 175.62 3cxh n THR 8 N 0.02 0.00 0.98 2.17 -2.24 -1.26 -5.04 114.28 108.91 3cxh n THR 8 Ca 0.03 -2.14 0.09 0.00 -2.27 0.00 0.00 64.05 59.77 3cxh n THR 8 Cb 0.52 0.97 0.29 0.00 -2.10 0.00 0.00 70.33 70.02 3cxh n THR 8 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3cxh n TYR 9 N -0.64 0.34 -4.17 4.78 4.02 -1.26 -4.81 117.16 115.42 3cxh n TYR 9 Ca 0.03 -0.17 -0.18 0.00 -0.01 0.00 0.00 57.90 57.57 3cxh n TYR 9 Cb 0.54 0.00 -0.15 0.00 -0.02 0.00 0.00 39.34 39.70 3cxh n TYR 9 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 176.86 177.26 3cxh s MET 10 N -1.66 0.62 0.00 -0.72 1.75 -1.26 -4.79 119.30 113.24 3cxh s MET 10 Ca 0.31 -0.15 0.00 0.00 -1.25 0.00 0.00 55.69 54.60 3cxh s MET 10 Cb 0.17 -0.63 0.00 0.00 2.84 0.00 0.00 34.83 37.21 3cxh s MET 10 CO 0.24 0.02 0.00 0.41 -0.65 0.00 0.00 175.02 175.04 3cxh n GLY 11 N 3.49 1.01 3.78 2.11 0.00 0.88 -4.97 105.19 111.49 3cxh n GLY 11 Ca -0.20 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.74 3cxh n GLY 11 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3cxh s TRP 12 N 2.90 0.04 -0.42 1.61 -0.11 -1.15 -4.88 118.94 116.92 3cxh s TRP 12 Ca 0.00 -0.52 -0.43 0.00 1.22 0.00 0.00 56.10 56.37 3cxh s TRP 12 Cb 0.00 0.61 -0.17 0.00 -1.50 0.00 0.00 33.47 32.41 3cxh s TRP 12 CO 0.00 -1.27 1.86 0.91 -4.62 0.00 0.00 176.95 173.83 3cxh n TRP 13 N -0.47 1.67 0.00 5.86 7.02 -1.26 -0.36 117.44 129.90 3cxh n TRP 13 Ca -0.04 0.76 0.00 0.00 -1.02 0.00 0.00 57.50 57.20 3cxh n TRP 13 Cb 0.60 -2.35 0.00 0.00 -2.42 0.00 0.00 31.31 27.14 3cxh n TRP 13 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3cxh n GLY 14 N 5.30 3.02 2.68 6.99 0.00 -1.26 -4.86 105.19 117.07 3cxh n GLY 14 Ca 0.37 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.31 3cxh n GLY 14 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3cxh n HIS 15 N -1.29 -2.17 0.15 1.61 1.44 0.51 -5.02 115.22 110.46 3cxh n HIS 15 Ca 0.00 -2.17 0.11 0.00 -2.01 0.00 0.00 57.72 53.65 3cxh n HIS 15 Cb 0.00 1.34 0.63 0.00 0.12 0.00 0.00 29.99 32.08 3cxh n HIS 15 CO 0.00 0.00 0.00 1.98 -2.81 0.00 0.00 176.34 175.51 3cxh h MET 16 N 2.49 0.07 0.00 -1.40 4.05 -1.67 -3.06 114.93 115.41 3cxh h MET 16 Ca -0.18 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.23 3cxh h MET 16 Cb 1.20 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.99 3cxh h MET 16 CO 0.08 0.05 0.00 0.41 0.23 0.00 0.00 176.91 177.68 3cxh n GLY 17 N -1.56 1.13 4.00 1.39 0.00 -1.26 -0.08 105.19 108.80 3cxh n GLY 17 Ca 0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.81 3cxh n GLY 17 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3cxh s GLY 18 N -1.41 1.75 0.85 -0.02 0.00 -1.26 -4.97 107.32 102.27 3cxh s GLY 18 Ca 0.00 -1.81 -0.12 0.00 0.00 0.00 0.00 44.72 42.80 3cxh s GLY 18 CO 0.00 -1.24 1.10 2.56 0.00 0.00 0.00 173.10 175.51 3cxh s PRO 19 N -5.09 1.67 0.27 2.90 0.04 -1.26 -4.97 135.00 128.56 3cxh s PRO 19 Ca 0.66 0.71 -0.29 0.00 0.04 0.00 0.00 61.00 62.11 3cxh s PRO 19 Cb -0.05 -1.87 -0.10 0.00 0.04 0.00 0.00 34.50 32.53 3cxh s PRO 19 CO 0.44 -1.92 1.32 0.15 0.04 0.00 0.00 177.00 177.02 3cxh s LYS 20 N -5.06 4.37 -0.18 4.56 1.02 -1.26 -5.01 119.74 118.19 3cxh s LYS 20 Ca 0.62 2.15 -0.05 0.00 0.02 0.00 0.00 55.97 58.71 3cxh s LYS 20 Cb -0.16 -3.13 -0.03 0.00 -0.52 0.00 0.00 37.83 34.00 3cxh s LYS 20 CO 0.55 -0.22 -0.01 -0.65 -0.92 0.00 0.00 175.35 174.11 3cxh s GLN 21 N -0.98 3.69 -0.11 1.68 -0.21 -1.26 -5.09 119.66 117.38 3cxh s GLN 21 Ca 0.53 -0.50 -0.10 0.00 0.02 0.00 0.00 55.36 55.32 3cxh s GLN 21 Cb -0.38 -3.02 0.03 0.00 1.00 0.00 0.00 33.01 30.63 3cxh s GLN 21 CO 0.46 0.15 0.29 0.21 -2.12 0.00 0.00 175.29 174.28 3cxh s LYS 22 N 0.62 0.33 0.00 2.91 2.20 -1.26 -4.92 119.74 119.63 3cxh s LYS 22 Ca -0.01 0.43 0.00 0.00 -0.36 0.00 0.00 55.97 56.03 3cxh s LYS 22 Cb -0.14 0.14 0.00 0.00 -1.51 0.00 0.00 37.83 36.31 3cxh s LYS 22 CO 0.02 -0.05 0.00 0.41 -0.36 0.00 0.00 175.35 175.37 3cxh n GLY 23 N 3.07 1.35 3.72 5.54 0.00 -1.26 -5.04 105.19 112.58 3cxh n GLY 23 Ca -0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.51 3cxh n GLY 23 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cxh s ILE 24 N -2.44 5.27 -0.04 -0.61 1.01 -1.26 -5.07 121.20 118.07 3cxh s ILE 24 Ca 0.00 0.64 0.07 0.00 0.00 0.00 0.00 60.65 61.35 3cxh s ILE 24 Cb 0.00 -3.68 -0.02 0.00 0.01 0.00 0.00 42.46 38.78 3cxh s ILE 24 CO 0.00 0.36 -0.24 -0.89 0.00 0.00 0.00 174.94 174.16 3cxh s THR 25 N 0.64 2.16 0.15 2.92 2.01 -1.26 -5.13 115.64 117.12 3cxh s THR 25 Ca 0.18 -1.05 0.09 0.00 0.31 0.00 0.00 61.69 61.23 3cxh s THR 25 Cb -0.14 -1.77 -0.04 0.00 0.01 0.00 0.00 72.50 70.56 3cxh s THR 25 CO 0.06 0.58 -0.21 -0.94 -0.69 0.00 0.00 174.62 173.42 3cxh s SER 26 N -0.41 2.81 0.05 3.53 1.04 -1.26 -5.15 113.70 114.31 3cxh s SER 26 Ca 0.04 -0.80 0.03 0.00 0.48 0.00 0.00 55.95 55.69 3cxh s SER 26 Cb -0.12 -0.17 -0.03 0.00 0.10 0.00 0.00 66.02 65.81 3cxh s SER 26 CO 0.01 0.03 -0.09 -0.31 0.98 0.00 0.00 173.24 173.87 3cxh s TYR 27 N -1.66 0.77 0.14 5.02 1.51 -1.26 -5.16 117.35 116.72 3cxh s TYR 27 Ca 0.14 -0.50 -0.14 0.00 -1.01 0.00 0.00 57.07 55.56 3cxh s TYR 27 Cb -0.08 -0.45 0.02 0.00 -0.11 0.00 0.00 41.96 41.34 3cxh s TYR 27 CO 0.06 -0.06 0.38 0.00 -1.11 0.00 0.00 175.55 174.82 3cxh s ALA 28 N -1.40 -0.68 -0.01 3.71 0.00 -1.26 -5.17 121.76 116.95 3cxh s ALA 28 Ca -0.08 -0.31 0.04 0.00 0.00 0.00 0.00 51.96 51.61 3cxh s ALA 28 Cb -0.10 0.73 -0.01 0.00 0.00 0.00 0.00 23.12 23.74 3cxh s ALA 28 CO 0.01 -0.66 -0.13 0.08 0.00 0.00 0.00 175.76 175.05 3cxh s VAL 29 N -3.86 1.05 0.25 0.00 1.01 -1.26 -5.12 120.40 112.47 3cxh s VAL 29 Ca 0.07 -0.57 -0.31 0.00 0.00 0.00 0.00 61.98 61.17 3cxh s VAL 29 Cb 0.02 -0.87 -0.13 0.00 0.00 0.00 0.00 36.38 35.40 3cxh s VAL 29 CO -0.08 0.30 1.48 -0.24 0.00 0.00 0.00 175.10 176.56 3cxh n SER 30 N 2.76 3.11 0.24 3.32 2.88 -1.26 -4.84 113.62 119.82 3cxh n SER 30 Ca -0.14 1.14 0.15 0.00 -1.33 0.00 0.00 58.87 58.69 3cxh n SER 30 Cb 0.55 -1.48 0.84 0.00 -0.75 0.00 0.00 64.21 63.38 3cxh n SER 30 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3cxh h PRO 31 N 4.53 0.00 0.00 -1.46 0.11 -1.99 0.58 132.00 133.77 3cxh h PRO 31 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3cxh h PRO 31 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3cxh h PRO 31 CO 0.78 0.00 0.00 1.88 -0.21 0.00 0.00 178.00 180.45 3cxh h TYR 32 N 0.00 0.00 -0.14 0.65 -1.99 -2.01 -2.70 116.97 110.78 3cxh h TYR 32 Ca 0.05 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.78 3cxh h TYR 32 Cb 0.27 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.00 3cxh h TYR 32 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 178.16 178.16 3cxh n ALA 33 N -2.01 2.44 -2.80 3.88 0.00 0.19 -4.97 120.51 117.24 3cxh n ALA 33 Ca 0.01 -0.78 -0.30 0.00 0.00 0.00 0.00 53.44 52.37 3cxh n ALA 33 Cb 0.27 -0.74 -0.04 0.00 0.00 0.00 0.00 19.45 18.94 3cxh n ALA 33 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3cxh s GLN 34 N -1.63 3.52 -0.22 0.00 -0.21 -1.02 -5.01 119.66 115.10 3cxh s GLN 34 Ca 0.28 -0.30 -0.39 0.00 0.02 0.00 0.00 55.36 54.97 3cxh s GLN 34 Cb 0.19 -2.92 -0.15 0.00 1.00 0.00 0.00 33.01 31.12 3cxh s GLN 34 CO 0.27 0.51 1.70 1.63 -2.12 0.00 0.00 175.29 177.28 3cxh n LYS 35 N -0.03 1.23 -1.51 2.91 5.02 -1.26 -4.69 118.16 119.83 3cxh n LYS 35 Ca -0.04 0.45 -0.40 0.00 -2.02 0.00 0.00 58.31 56.30 3cxh n LYS 35 Cb 0.52 -2.14 -0.10 0.00 -0.02 0.00 0.00 35.03 33.28 3cxh n LYS 35 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3cxh n PRO 36 N 5.09 0.40 0.00 1.97 -0.04 -1.26 -4.43 135.00 136.74 3cxh n PRO 36 Ca 0.25 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.72 3cxh n PRO 36 Cb 0.15 -2.21 0.00 0.00 -0.04 0.00 0.00 33.50 31.40 3cxh n PRO 36 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3cxh n LEU 37 N 12.27 0.00 -0.03 1.53 4.77 -1.26 -4.85 117.00 129.43 3cxh n LEU 37 Ca 0.55 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.53 3cxh n LEU 37 Cb 0.21 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 3cxh n LEU 37 CO 0.85 0.00 0.31 0.00 -1.33 0.00 0.00 177.39 177.22 3cxh n GLN 38 N 0.00 0.65 -0.01 3.23 10.64 -1.26 -4.80 117.38 125.83 3cxh n GLN 38 Ca 0.00 -0.77 0.02 0.00 -1.83 0.00 0.00 57.00 54.43 3cxh n GLN 38 Cb 0.00 -0.62 0.13 0.00 -0.86 0.00 0.00 30.24 28.89 3cxh n GLN 38 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3cxh n GLY 39 N -0.13 -0.88 0.06 2.61 0.00 -1.26 -3.29 105.19 102.31 3cxh n GLY 39 Ca 0.00 -0.05 -0.07 0.00 0.00 0.00 0.00 46.02 45.90 3cxh n GLY 39 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3cxh h ILE 40 N 0.17 1.63 -1.06 -0.61 2.04 -1.96 -3.25 117.51 114.47 3cxh h ILE 40 Ca 0.00 -3.35 -0.42 0.00 1.00 0.00 0.00 64.86 62.10 3cxh h ILE 40 Cb 0.04 2.80 -0.41 0.00 -0.74 0.00 0.00 36.82 38.52 3cxh h ILE 40 CO 0.00 0.93 -1.05 0.49 0.00 0.00 0.00 178.15 178.52 3cxh n PHE 41 N -3.32 1.83 0.02 1.37 3.01 -1.21 -4.14 117.46 115.02 3cxh n PHE 41 Ca -0.02 -2.77 0.00 0.00 1.01 0.00 0.00 57.45 55.67 3cxh n PHE 41 Cb 0.95 -0.28 0.00 0.00 -0.01 0.00 0.00 39.48 40.13 3cxh n PHE 41 CO 0.00 0.00 0.00 1.58 1.01 0.00 0.00 176.76 179.35 3cxh n HIS 42 N -0.26 -1.03 -0.55 1.38 -0.00 -1.24 -4.89 115.22 108.63 3cxh n HIS 42 Ca 0.18 0.10 0.04 0.00 0.46 0.00 0.00 57.72 58.49 3cxh n HIS 42 Cb 0.78 0.63 0.05 0.00 -0.12 0.00 0.00 29.99 31.34 3cxh n HIS 42 CO 0.00 0.00 0.00 0.09 0.46 0.00 0.00 176.34 176.89 3cxh n ASN 43 N -2.61 1.92 -0.03 0.26 4.13 -1.25 -4.20 115.26 113.47 3cxh n ASN 43 Ca 0.00 -2.35 -0.04 0.00 1.68 0.00 0.00 54.58 53.87 3cxh n ASN 43 Cb 0.00 -0.17 -0.04 0.00 -1.54 0.00 0.00 39.78 38.03 3cxh n ASN 43 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3cxh n ALA 44 N -0.80 1.84 0.03 5.41 0.00 -1.22 -4.01 120.51 121.77 3cxh n ALA 44 Ca 0.06 -0.34 0.01 0.00 0.00 0.00 0.00 53.44 53.17 3cxh n ALA 44 Cb 0.43 0.26 -0.08 0.00 0.00 0.00 0.00 19.45 20.06 3cxh n ALA 44 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 3cxh n VAL 45 N -2.55 1.14 -0.04 0.00 3.14 -1.26 -2.40 118.33 116.36 3cxh n VAL 45 Ca -0.12 -0.68 -0.15 0.00 -2.96 0.00 0.00 64.34 60.43 3cxh n VAL 45 Cb 0.66 -0.71 -0.12 0.00 -1.06 0.00 0.00 33.84 32.61 3cxh n VAL 45 CO 0.00 0.00 0.00 0.15 -6.46 0.00 0.00 176.83 170.52 3cxh h PHE 46 N 0.00 0.10 -0.01 1.45 3.57 -1.83 -3.17 116.94 117.05 3cxh h PHE 46 Ca -0.16 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.28 3cxh h PHE 46 Cb 1.55 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 40.28 3cxh h PHE 46 CO 0.00 0.95 0.00 -1.71 -2.23 0.00 0.00 178.31 175.32 3cxh n ASN 47 N -4.58 0.16 -4.74 0.41 5.15 -1.26 -4.87 115.26 105.54 3cxh n ASN 47 Ca -0.10 -1.34 -0.35 0.00 -0.60 0.00 0.00 54.58 52.19 3cxh n ASN 47 Cb 0.48 -0.01 0.07 0.00 -0.53 0.00 0.00 39.78 39.80 3cxh n ASN 47 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 3cxh s SER 48 N -1.69 4.57 -1.07 1.20 0.15 -1.01 -2.99 113.70 112.85 3cxh s SER 48 Ca 0.33 2.35 0.00 0.00 0.70 0.00 0.00 55.95 59.33 3cxh s SER 48 Cb 0.16 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.88 3cxh s SER 48 CO 0.26 -2.01 0.00 0.49 1.20 0.00 0.00 173.24 173.18 3cxh n PHE 49 N -2.35 0.00 -0.07 3.44 3.01 -1.26 -4.88 117.46 115.36 3cxh n PHE 49 Ca 0.13 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.48 3cxh n PHE 49 Cb 0.50 -2.06 -0.10 0.00 -0.01 0.00 0.00 39.48 37.81 3cxh n PHE 49 CO 0.00 0.00 0.00 -0.09 1.01 0.00 0.00 176.76 177.68 3cxh h ARG 50 N 0.07 0.00 0.00 -1.08 9.65 -1.91 -2.54 114.38 118.57 3cxh h ARG 50 Ca -0.21 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.67 3cxh h ARG 50 Cb 0.76 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.34 3cxh h ARG 50 CO 0.30 0.76 0.00 -0.09 2.80 0.00 0.00 179.97 183.74 3cxh h ARG 51 N -1.00 0.00 0.00 0.20 9.65 -1.90 -3.04 114.38 118.30 3cxh h ARG 51 Ca -0.02 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.86 3cxh h ARG 51 Cb 0.79 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.37 3cxh h ARG 51 CO -0.01 0.00 -0.00 0.35 2.80 0.00 0.00 179.97 183.11 3cxh h PHE 52 N 0.00 -0.00 0.00 2.20 3.04 -1.94 -3.21 116.94 117.03 3cxh h PHE 52 Ca 0.00 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 3cxh h PHE 52 Cb 0.21 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.72 3cxh h PHE 52 CO 0.00 -0.00 0.00 1.63 -2.02 0.00 0.00 178.31 177.92 3cxh n LYS 53 N -2.07 0.00 -0.05 1.11 5.02 -0.96 0.29 118.16 121.50 3cxh n LYS 53 Ca -0.00 0.48 -0.13 0.00 -2.02 0.00 0.00 58.31 56.63 3cxh n LYS 53 Cb 0.00 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 33.37 3cxh n LYS 53 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3cxh n SER 54 N -1.50 1.12 -0.03 4.39 7.64 -1.15 -4.64 113.62 119.46 3cxh n SER 54 Ca 0.00 0.20 -0.00 0.00 1.01 0.00 0.00 58.87 60.08 3cxh n SER 54 Cb 0.01 -0.06 -0.07 0.00 -1.01 0.00 0.00 64.21 63.08 3cxh n SER 54 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3cxh n GLN 55 N -3.11 1.50 -0.45 1.43 1.13 -0.77 -4.75 117.38 112.37 3cxh n GLN 55 Ca -0.28 -0.04 0.37 0.00 -1.94 0.00 0.00 57.00 55.10 3cxh n GLN 55 Cb 1.07 -1.24 0.65 0.00 0.11 0.00 0.00 30.24 30.83 3cxh n GLN 55 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 3cxh h PHE 56 N 0.00 0.48 -0.60 1.08 -5.15 -0.38 -0.21 116.94 112.16 3cxh h PHE 56 Ca -0.14 0.02 -0.05 0.00 -0.20 0.00 0.00 57.97 57.61 3cxh h PHE 56 Cb 1.07 -0.12 -0.03 0.00 0.22 0.00 0.00 35.95 37.09 3cxh h PHE 56 CO 0.00 -0.16 0.19 -0.07 -2.00 0.00 0.00 178.31 176.27 3cxh h LEU 57 N 0.10 0.84 -1.75 2.10 3.38 -1.85 0.73 115.31 118.86 3cxh h LEU 57 Ca 0.80 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.63 3cxh h LEU 57 Cb 2.55 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 43.08 3cxh h LEU 57 CO -0.36 0.79 0.00 1.88 0.09 0.00 0.00 178.44 180.83 3cxh h TYR 58 N 0.88 0.00 0.00 1.13 -1.99 -1.37 -2.59 116.97 113.03 3cxh h TYR 58 Ca 0.20 0.00 -0.36 0.00 2.00 0.00 0.00 58.73 60.56 3cxh h TYR 58 Cb 0.25 0.00 -0.06 0.00 2.00 0.00 0.00 36.73 38.92 3cxh h TYR 58 CO 0.02 0.00 -2.26 0.28 -0.00 0.00 0.00 178.16 176.19 3cxh n VAL 59 N -2.91 1.25 -0.25 -2.88 0.31 -0.76 -4.56 118.33 108.54 3cxh n VAL 59 Ca -0.00 -0.37 -0.05 0.00 -0.01 0.00 0.00 64.34 63.90 3cxh n VAL 59 Cb 0.21 -1.62 0.05 0.00 -0.91 0.00 0.00 33.84 31.58 3cxh n VAL 59 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3cxh h LEU 60 N -0.54 0.82 -0.06 7.52 -0.00 0.44 -1.01 115.31 122.49 3cxh h LEU 60 Ca -0.55 -0.04 -0.00 0.00 -0.00 0.00 0.00 57.88 57.29 3cxh h LEU 60 Cb 1.59 -0.21 -0.00 0.00 -0.00 0.00 0.00 40.66 42.04 3cxh h LEU 60 CO -0.26 0.62 0.02 0.40 -0.00 0.00 0.00 178.44 179.22 3cxh h ILE 61 N 0.95 1.16 -0.29 1.22 2.04 -1.68 0.55 117.51 121.46 3cxh h ILE 61 Ca 0.25 -0.48 -0.10 0.00 1.00 0.00 0.00 64.86 65.54 3cxh h ILE 61 Cb -0.07 1.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 3cxh h ILE 61 CO -0.05 0.13 -0.23 -0.65 0.00 0.00 0.00 178.15 177.35 3cxh h PRO 62 N -0.09 0.54 -0.12 2.37 0.11 -1.79 0.91 132.00 133.94 3cxh h PRO 62 Ca 0.02 -0.20 -0.00 0.00 0.11 0.00 0.00 66.00 65.92 3cxh h PRO 62 Cb 0.20 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.27 3cxh h PRO 62 CO -0.00 0.74 0.06 0.00 -0.21 0.00 0.00 178.00 178.59 3cxh h ALA 63 N 1.27 0.15 -0.54 -0.75 0.00 -0.98 -0.29 119.26 118.11 3cxh h ALA 63 Ca 0.07 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3cxh h ALA 63 Cb 0.67 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 3cxh h ALA 63 CO 0.05 -0.32 0.16 0.78 0.00 0.00 0.00 179.25 179.92 3cxh h GLY 64 N 0.10 0.91 0.75 0.00 0.00 0.24 0.43 103.07 105.50 3cxh h GLY 64 Ca 0.04 -0.54 0.03 0.00 0.00 0.00 0.00 47.33 46.85 3cxh h GLY 64 CO -0.01 0.51 -0.02 -2.22 0.00 0.00 0.00 176.54 174.81 3cxh h ILE 65 N 0.75 0.88 -0.33 2.60 2.04 -0.54 -1.16 117.51 121.75 3cxh h ILE 65 Ca 0.17 -0.01 -0.11 0.00 1.00 0.00 0.00 64.86 65.91 3cxh h ILE 65 Cb 0.29 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 3cxh h ILE 65 CO -0.00 0.00 -0.25 1.88 0.00 0.00 0.00 178.15 179.78 3cxh h TYR 66 N 0.03 0.74 -0.49 1.37 -1.99 -0.86 -2.12 116.97 113.65 3cxh h TYR 66 Ca 0.07 -0.17 -0.07 0.00 2.00 0.00 0.00 58.73 60.56 3cxh h TYR 66 Cb 0.09 -0.18 -0.02 0.00 2.00 0.00 0.00 36.73 38.63 3cxh h TYR 66 CO -0.16 0.84 0.04 2.35 -0.00 0.00 0.00 178.16 181.23 3cxh h TRP 67 N 0.57 0.90 -0.25 4.88 7.01 -0.71 -1.23 115.95 127.12 3cxh h TRP 67 Ca 0.08 -0.14 -0.01 0.00 2.11 0.00 0.00 58.89 60.93 3cxh h TRP 67 Cb 0.73 -0.24 -0.01 0.00 -2.10 0.00 0.00 29.16 27.54 3cxh h TRP 67 CO 0.03 0.84 0.12 1.88 -2.79 0.00 0.00 178.44 178.52 3cxh h TYR 68 N 0.70 0.36 -0.75 2.65 -1.99 -1.10 0.00 116.97 116.84 3cxh h TYR 68 Ca 0.14 -0.02 0.01 0.00 2.00 0.00 0.00 58.73 60.87 3cxh h TYR 68 Cb 0.45 -0.11 -0.04 0.00 2.00 0.00 0.00 36.73 39.03 3cxh h TYR 68 CO 0.03 0.34 0.50 2.35 -0.00 0.00 0.00 178.16 181.38 3cxh h TRP 69 N 0.27 0.93 0.19 4.88 7.01 -1.25 0.14 115.95 128.12 3cxh h TRP 69 Ca 0.09 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.10 3cxh h TRP 69 Cb 0.11 -0.32 0.00 0.00 -2.10 0.00 0.00 29.16 26.86 3cxh h TRP 69 CO -0.02 0.58 -0.09 2.35 -2.79 0.00 0.00 178.44 178.47 3cxh h TRP 70 N 1.00 -0.23 -0.97 2.65 2.91 -0.79 -2.13 115.95 118.39 3cxh h TRP 70 Ca 0.28 -0.01 0.05 0.00 1.13 0.00 0.00 58.89 60.34 3cxh h TRP 70 Cb -0.09 0.08 -0.06 0.00 -0.51 0.00 0.00 29.16 28.57 3cxh h TRP 70 CO -0.00 0.16 0.63 0.87 -1.03 0.00 0.00 178.44 179.07 3cxh h LYS 71 N -0.72 1.14 0.01 2.65 1.79 -0.74 0.33 116.57 121.04 3cxh h LYS 71 Ca -0.03 -0.07 -0.00 0.00 -2.18 0.00 0.00 60.65 58.37 3cxh h LYS 71 Cb 0.50 -0.26 0.00 0.00 -1.58 0.00 0.00 32.23 30.89 3cxh h LYS 71 CO 0.04 0.76 -0.01 -0.97 -1.08 0.00 0.00 179.45 178.19 3cxh h ASN 72 N 1.18 -0.01 0.39 0.86 -0.73 -0.76 -1.01 115.58 115.49 3cxh h ASN 72 Ca 0.40 -0.13 -0.10 0.00 1.87 0.00 0.00 56.30 58.34 3cxh h ASN 72 Cb 0.08 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.66 3cxh h ASN 72 CO -0.15 0.13 -0.44 1.23 -0.37 0.00 0.00 177.43 177.83 3cxh h GLY 73 N -0.15 0.07 1.11 1.57 0.00 -0.94 -1.97 103.07 102.76 3cxh h GLY 73 Ca -0.00 -0.07 -0.14 0.00 0.00 0.00 0.00 47.33 47.12 3cxh h GLY 73 CO 0.00 0.06 -0.26 -0.57 0.00 0.00 0.00 176.54 175.77 3cxh h ASN 74 N 0.05 1.02 -0.16 0.19 -1.24 -0.14 -2.20 115.58 113.11 3cxh h ASN 74 Ca 0.00 -0.41 -0.18 0.00 0.71 0.00 0.00 56.30 56.42 3cxh h ASN 74 Cb 0.80 -0.28 -0.00 0.00 0.73 0.00 0.00 38.32 39.56 3cxh h ASN 74 CO 0.06 1.21 -0.57 -0.33 -1.29 0.00 0.00 177.43 176.51 3cxh h GLU 75 N 0.83 0.76 -0.97 6.67 5.08 -1.06 -2.22 114.58 123.67 3cxh h GLU 75 Ca 0.10 -0.50 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 3cxh h GLU 75 Cb 0.85 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 30.11 3cxh h GLU 75 CO 0.07 1.12 0.61 -0.92 -1.00 0.00 0.00 179.01 178.90 3cxh h TYR 76 N 0.58 1.26 -0.43 4.33 3.20 -1.29 -0.87 116.97 123.74 3cxh h TYR 76 Ca 0.01 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.85 3cxh h TYR 76 Cb 1.16 -0.42 -0.02 0.00 1.54 0.00 0.00 36.73 39.00 3cxh h TYR 76 CO 0.06 0.82 0.14 -0.97 -1.64 0.00 0.00 178.16 176.57 3cxh h ASN 77 N 1.33 0.62 -0.57 -2.11 -0.73 -1.28 0.12 115.58 112.97 3cxh h ASN 77 Ca 0.35 -0.20 0.03 0.00 1.87 0.00 0.00 56.30 58.35 3cxh h ASN 77 Cb -0.10 -0.16 -0.04 0.00 0.27 0.00 0.00 38.32 38.29 3cxh h ASN 77 CO -0.07 0.66 0.34 -0.08 -0.37 0.00 0.00 177.43 177.91 3cxh h GLU 78 N 0.56 0.65 -0.13 6.67 4.81 -0.75 -1.91 114.58 124.49 3cxh h GLU 78 Ca 0.14 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.30 3cxh h GLU 78 Cb 0.25 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.48 3cxh h GLU 78 CO -0.01 0.43 -0.03 0.35 -0.73 0.00 0.00 179.01 179.03 3cxh h PHE 79 N 0.67 0.27 -0.66 0.92 3.57 -0.96 -2.87 116.94 117.88 3cxh h PHE 79 Ca 0.24 -0.06 0.17 0.00 3.53 0.00 0.00 57.97 61.85 3cxh h PHE 79 Cb 0.05 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.69 3cxh h PHE 79 CO -0.06 0.53 0.46 -0.07 -2.23 0.00 0.00 178.31 176.93 3cxh h LEU 80 N -0.07 0.14 -2.81 0.59 3.38 -0.66 -1.55 115.31 114.34 3cxh h LEU 80 Ca 0.03 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3cxh h LEU 80 Cb 0.44 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3cxh h LEU 80 CO 0.01 0.07 0.00 -1.22 0.09 0.00 0.00 178.44 177.39 3cxh n TYR 81 N -4.40 1.06 -3.09 1.13 4.02 -0.74 -4.13 117.16 111.01 3cxh n TYR 81 Ca 0.13 -0.52 -0.17 0.00 -0.01 0.00 0.00 57.90 57.33 3cxh n TYR 81 Cb 0.63 -0.04 0.01 0.00 -0.02 0.00 0.00 39.34 39.91 3cxh n TYR 81 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 3cxh s SER 82 N -0.99 5.69 0.21 7.72 1.04 -0.59 -4.99 113.70 121.79 3cxh s SER 82 Ca 0.50 -0.39 -0.10 0.00 0.48 0.00 0.00 55.95 56.44 3cxh s SER 82 Cb 0.27 -0.74 0.25 0.00 0.10 0.00 0.00 66.02 65.90 3cxh s SER 82 CO 0.32 -0.71 1.78 0.11 0.98 0.00 0.00 173.24 175.72 3cxh h LYS 83 N 0.69 0.52 0.00 4.02 1.57 -1.92 -1.93 116.57 119.52 3cxh h LYS 83 Ca -0.41 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 3cxh h LYS 83 Cb 1.28 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.47 3cxh h LYS 83 CO 0.46 0.35 0.00 0.00 -0.57 0.00 0.00 179.45 179.69 3cxh h ALA 84 N 1.37 1.00 -0.16 3.86 0.00 -1.95 -3.10 119.26 120.27 3cxh h ALA 84 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3cxh h ALA 84 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3cxh h ALA 84 CO -0.23 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.43 3cxh n GLY 85 N -0.73 0.97 0.28 0.00 0.00 -0.73 -4.58 105.19 100.39 3cxh n GLY 85 Ca -0.02 -0.54 0.14 0.00 0.00 0.00 0.00 46.02 45.60 3cxh n GLY 85 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3cxh h ARG 86 N 3.48 0.00 0.04 1.61 0.11 -1.47 -0.11 114.38 118.03 3cxh h ARG 86 Ca 0.00 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.08 3cxh h ARG 86 Cb 0.78 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.87 3cxh h ARG 86 CO 0.00 0.08 -0.02 1.49 0.10 0.00 0.00 179.97 181.62 3cxh h GLU 87 N 0.00 -0.06 0.00 0.08 4.81 -1.84 -1.91 114.58 115.67 3cxh h GLU 87 Ca -0.00 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.18 3cxh h GLU 87 Cb 0.23 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 3cxh h GLU 87 CO 0.01 0.45 -0.25 1.49 -0.73 0.00 0.00 179.01 179.98 3cxh h GLU 88 N -0.60 0.00 -0.32 1.92 4.81 -1.81 -2.85 114.58 115.73 3cxh h GLU 88 Ca -0.01 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.16 3cxh h GLU 88 Cb 0.53 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.90 3cxh h GLU 88 CO 0.01 0.25 -0.04 1.25 -0.73 0.00 0.00 179.01 179.75 3cxh h LEU 89 N 0.00 0.58 -1.42 1.64 7.12 -0.91 -1.77 115.31 120.55 3cxh h LEU 89 Ca -0.00 -0.34 0.00 0.00 0.13 0.00 0.00 57.88 57.67 3cxh h LEU 89 Cb 0.63 -0.16 -0.03 0.00 -0.53 0.00 0.00 40.66 40.58 3cxh h LEU 89 CO 0.03 0.78 0.37 -0.33 -0.13 0.00 0.00 178.44 179.16 3cxh h GLU 90 N 0.37 0.76 0.00 1.25 5.08 -1.11 -2.31 114.58 118.62 3cxh h GLU 90 Ca 0.08 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3cxh h GLU 90 Cb 0.51 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.59 3cxh h GLU 90 CO 0.02 0.51 0.00 -2.13 -1.00 0.00 0.00 179.01 176.42 3cxh n ARG 91 N -4.44 0.00 0.17 2.33 0.63 -1.09 -3.95 116.66 110.31 3cxh n ARG 91 Ca 0.06 0.30 0.18 0.00 -0.92 0.00 0.00 57.85 57.47 3cxh n ARG 91 Cb 0.05 -1.04 0.80 0.00 0.45 0.00 0.00 32.46 32.72 3cxh n ARG 91 CO 0.00 0.00 0.00 -0.39 -2.51 0.00 0.00 177.63 174.73 3cxh h VAL 92 N 0.00 0.36 0.00 5.15 -1.51 -1.41 -3.34 116.25 115.50 3cxh h VAL 92 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 3cxh h VAL 92 Cb 0.00 0.74 0.00 0.00 -2.13 0.00 0.00 31.29 29.90 3cxh h VAL 92 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 177.57 173.14 3cxh n ASN 93 N -3.64 0.00 0.00 4.19 5.15 -0.87 -5.10 115.26 114.99 3cxh n ASN 93 Ca 0.04 0.02 0.05 0.00 -0.60 0.00 0.00 54.58 54.08 3cxh n ASN 93 Cb 0.46 0.00 0.31 0.00 -0.53 0.00 0.00 39.78 40.01 3cxh n ASN 93 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18