#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i2u n ARG 2 N 0.00 0.36 -2.01 3.17 1.74 -1.24 -3.74 116.66 114.94 2i2u n ARG 2 Ca 0.00 0.14 -0.28 0.00 -0.77 0.00 0.00 57.85 56.94 2i2u n ARG 2 Cb 0.00 -1.46 0.08 0.00 -1.02 0.00 0.00 32.46 30.06 2i2u n ARG 2 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 2i2u s HIS 3 N -1.77 2.96 0.00 -1.55 3.76 -1.26 -3.34 115.29 114.09 2i2u s HIS 3 Ca 0.64 0.65 0.00 0.00 -0.15 0.00 0.00 55.06 56.21 2i2u s HIS 3 Cb -0.49 -3.36 0.00 0.00 1.11 0.00 0.00 32.58 29.84 2i2u s HIS 3 CO 0.58 -1.61 0.00 0.66 -0.85 0.00 0.00 174.74 173.52 2i2u n TYR 4 N -3.16 0.00 -2.61 1.40 4.01 -1.15 -1.20 117.16 114.45 2i2u n TYR 4 Ca 0.08 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.79 2i2u n TYR 4 Cb 0.61 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.65 2i2u n TYR 4 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 2i2u n GLU 5 N 0.00 0.29 -1.49 -0.72 2.13 -1.26 -4.35 120.64 115.24 2i2u n GLU 5 Ca 0.00 -0.58 -0.36 0.00 0.66 0.00 0.00 57.16 56.87 2i2u n GLU 5 Cb 0.00 0.04 0.07 0.00 0.27 0.00 0.00 31.44 31.82 2i2u n GLU 5 CO 0.00 0.00 0.00 0.44 -0.41 0.00 0.00 177.13 177.16 2i2u n ILE 6 N -0.45 3.36 -3.20 6.31 -5.35 -1.26 -4.43 119.36 114.34 2i2u n ILE 6 Ca -0.17 -0.43 0.01 0.00 -0.27 0.00 0.00 62.75 61.89 2i2u n ILE 6 Cb 0.63 -1.14 -0.02 0.00 -1.74 0.00 0.00 39.64 37.37 2i2u n ILE 6 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2i2u s VAL 7 N -1.67 -0.90 -0.07 7.28 0.11 -1.25 -2.76 120.40 121.14 2i2u s VAL 7 Ca 0.75 -0.05 0.00 0.00 -2.93 0.00 0.00 61.98 59.76 2i2u s VAL 7 Cb -0.37 -0.97 -0.03 0.00 -1.53 0.00 0.00 36.38 33.47 2i2u s VAL 7 CO 0.48 -0.05 -0.05 0.72 -3.33 0.00 0.00 175.10 172.87 2i2u s PHE 8 N 2.77 2.99 -0.24 1.54 -0.12 -1.23 -3.05 117.98 120.63 2i2u s PHE 8 Ca 0.15 0.06 -0.03 0.00 -0.05 0.00 0.00 56.93 57.06 2i2u s PHE 8 Cb -0.13 -1.73 0.01 0.00 -0.63 0.00 0.00 43.02 40.54 2i2u s PHE 8 CO -0.23 0.36 -0.05 0.00 -0.05 0.00 0.00 175.22 175.26 2i2u s MET 9 N -0.84 3.12 0.68 1.99 0.23 -1.23 -3.57 119.30 119.67 2i2u s MET 9 Ca 0.13 -0.80 -0.03 0.00 -1.03 0.00 0.00 55.69 53.96 2i2u s MET 9 Cb -0.11 -3.01 0.08 0.00 -1.53 0.00 0.00 34.83 30.26 2i2u s MET 9 CO 0.02 -0.30 0.95 0.08 -2.03 0.00 0.00 175.02 173.74 2i2u s VAL 10 N 1.41 2.35 0.31 5.16 1.01 0.52 -1.77 120.40 129.39 2i2u s VAL 10 Ca 0.03 -0.46 -0.28 0.00 0.00 0.00 0.00 61.98 61.27 2i2u s VAL 10 Cb -0.15 -2.89 -0.10 0.00 0.00 0.00 0.00 36.38 33.24 2i2u s VAL 10 CO -0.04 0.00 1.14 -2.28 0.00 0.00 0.00 175.10 173.92 2i2u s HIS 11 N -3.11 3.40 0.10 5.22 2.46 -1.05 -2.22 115.29 120.10 2i2u s HIS 11 Ca 0.62 1.63 -0.29 0.00 0.47 0.00 0.00 55.06 57.48 2i2u s HIS 11 Cb -0.09 -3.36 -0.11 0.00 -0.13 0.00 0.00 32.58 28.90 2i2u s HIS 11 CO 0.43 -0.88 1.62 -1.00 -2.47 0.00 0.00 174.74 172.44 2i2u h PRO 12 N 3.50 -0.59 -0.97 2.88 0.13 -1.92 -2.72 132.00 132.31 2i2u h PRO 12 Ca -0.47 0.04 0.30 0.00 -0.87 0.00 0.00 66.00 65.00 2i2u h PRO 12 Cb 1.22 0.13 -0.15 0.00 0.13 0.00 0.00 31.00 32.33 2i2u h PRO 12 CO 0.66 -0.39 0.48 -0.44 -0.23 0.00 0.00 178.00 178.07 2i2u h ASP 13 N -0.61 0.37 -1.35 1.44 5.19 -1.93 0.49 116.42 120.02 2i2u h ASP 13 Ca 0.00 0.20 -0.70 0.00 -0.62 0.00 0.00 57.03 55.91 2i2u h ASP 13 Cb 0.59 0.18 -0.29 0.00 0.18 0.00 0.00 39.33 39.99 2i2u h ASP 13 CO -0.12 -0.15 0.85 0.00 -3.12 0.00 0.00 179.24 176.70 2i2u n GLN 14 N -5.11 2.76 -0.15 3.56 0.00 -1.04 -4.66 117.38 112.75 2i2u n GLN 14 Ca 0.29 -3.43 -0.08 0.00 0.00 0.00 0.00 57.00 53.78 2i2u n GLN 14 Cb 0.92 -2.28 0.00 0.00 0.00 0.00 0.00 30.24 28.88 2i2u n GLN 14 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 2i2u h SER 15 N 2.37 0.57 0.00 2.61 0.87 0.12 -2.37 113.55 117.72 2i2u h SER 15 Ca 0.58 -0.13 0.00 0.00 -1.23 0.00 0.00 61.79 61.01 2i2u h SER 15 Cb 0.56 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.38 2i2u h SER 15 CO 1.50 0.54 0.41 -0.08 -0.53 0.00 0.00 176.83 178.67 2i2u h GLU 16 N 0.57 0.00 -0.29 2.24 4.22 -1.83 0.13 114.58 119.62 2i2u h GLU 16 Ca 0.15 0.00 -0.18 0.00 0.08 0.00 0.00 59.36 59.41 2i2u h GLU 16 Cb 0.12 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 2i2u h GLU 16 CO -0.02 0.00 -0.52 0.37 -2.18 0.00 0.00 179.01 176.66 2i2u h GLN 17 N 0.00 0.84 -0.53 1.92 -0.00 -1.80 -3.33 115.11 112.21 2i2u h GLN 17 Ca 0.00 -0.52 0.07 0.00 -0.00 0.00 0.00 58.65 58.20 2i2u h GLN 17 Cb 0.83 0.05 -0.07 0.00 0.00 0.00 0.00 27.48 28.29 2i2u h GLN 17 CO 0.00 1.15 -0.26 0.28 0.00 0.00 0.00 178.83 180.01 2i2u n VAL 18 N -4.01 -0.32 0.46 2.39 0.31 0.47 -0.23 118.33 117.40 2i2u n VAL 18 Ca -0.04 1.26 -0.20 0.00 -0.01 0.00 0.00 64.34 65.35 2i2u n VAL 18 Cb 0.61 -1.61 -0.10 0.00 -0.91 0.00 0.00 33.84 31.84 2i2u n VAL 18 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2i2u h PRO 19 N 0.00 -1.12 -0.90 5.55 0.13 -1.78 -1.60 132.00 132.28 2i2u h PRO 19 Ca 0.14 0.08 0.25 0.00 -0.87 0.00 0.00 66.00 65.59 2i2u h PRO 19 Cb 0.27 0.25 -0.15 0.00 0.13 0.00 0.00 31.00 31.50 2i2u h PRO 19 CO -0.51 -0.75 0.21 0.78 -0.23 0.00 0.00 178.00 177.50 2i2u h GLY 20 N -1.16 1.38 0.99 1.56 0.00 -0.78 0.28 103.07 105.34 2i2u h GLY 20 Ca -0.12 -0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.21 2i2u h GLY 20 CO 0.18 -0.42 -0.00 -0.33 0.00 0.00 0.00 176.54 175.97 2i2u h MET 21 N 0.16 -0.01 -0.36 4.80 2.86 -0.63 -2.06 114.93 119.69 2i2u h MET 21 Ca 0.58 0.00 0.08 0.00 -2.06 0.00 0.00 59.70 58.29 2i2u h MET 21 Cb 1.20 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 32.77 2i2u h MET 21 CO -0.71 0.00 -0.30 0.82 1.06 0.00 0.00 176.91 177.79 2i2u h ILE 22 N -0.02 0.28 0.54 -1.22 2.04 0.53 0.40 117.51 120.06 2i2u h ILE 22 Ca -0.00 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 2i2u h ILE 22 Cb 0.02 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 36.38 2i2u h ILE 22 CO 0.00 0.00 -0.29 -0.33 0.00 0.00 0.00 178.15 177.53 2i2u h GLU 23 N -0.25 -0.74 -0.91 2.37 3.07 -1.22 0.52 114.58 117.41 2i2u h GLU 23 Ca 0.17 0.05 0.16 0.00 -0.50 0.00 0.00 59.36 59.23 2i2u h GLU 23 Cb 0.52 0.17 -0.07 0.00 -0.84 0.00 0.00 28.75 28.52 2i2u h GLU 23 CO -0.50 -0.49 0.59 0.00 -1.40 0.00 0.00 179.01 177.21 2i2u h ARG 24 N -0.77 0.65 0.03 2.33 3.08 -1.08 0.31 114.38 118.94 2i2u h ARG 24 Ca -0.07 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 59.94 2i2u h ARG 24 Cb 0.60 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.51 2i2u h ARG 24 CO 0.10 0.43 -0.01 1.88 -1.07 0.00 0.00 179.97 181.30 2i2u h TYR 25 N 0.67 -0.03 -0.51 3.04 0.99 -0.65 -3.08 116.97 117.39 2i2u h TYR 25 Ca 0.47 -0.00 0.10 0.00 2.00 0.00 0.00 58.73 61.30 2i2u h TYR 25 Cb 0.79 0.01 -0.10 0.00 1.00 0.00 0.00 36.73 38.43 2i2u h TYR 25 CO -0.00 -0.02 -0.19 1.79 -0.00 0.00 0.00 178.16 179.74 2i2u h THR 26 N -0.41 0.39 -0.29 -2.88 1.35 0.10 -0.35 112.91 110.82 2i2u h THR 26 Ca -0.00 0.00 0.04 0.00 -0.55 0.00 0.00 66.41 65.89 2i2u h THR 26 Cb 0.03 0.39 -0.04 0.00 -1.73 0.00 0.00 68.15 66.80 2i2u h THR 26 CO 0.01 0.00 0.07 0.00 -0.25 0.00 0.00 175.52 175.35 2i2u h ALA 27 N 1.34 0.31 -0.82 6.62 0.00 -0.54 -2.01 119.26 124.17 2i2u h ALA 27 Ca 0.24 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.23 2i2u h ALA 27 Cb 0.44 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 2i2u h ALA 27 CO -0.56 -0.34 0.54 0.00 0.00 0.00 0.00 179.25 178.89 2i2u h ALA 28 N 1.21 1.46 0.32 0.00 0.00 -1.23 -2.94 119.26 118.09 2i2u h ALA 28 Ca 0.13 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2i2u h ALA 28 Cb 0.13 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 2i2u h ALA 28 CO -0.17 0.47 -0.42 0.82 0.00 0.00 0.00 179.25 179.96 2i2u h ILE 29 N 1.06 0.16 -0.87 0.00 2.04 -0.34 -2.48 117.51 117.08 2i2u h ILE 29 Ca 0.32 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.39 2i2u h ILE 29 Cb -0.03 0.16 -0.12 0.00 -0.74 0.00 0.00 36.82 36.09 2i2u h ILE 29 CO -0.08 0.00 0.34 0.74 0.00 0.00 0.00 178.15 179.15 2i2u h THR 30 N -0.79 0.47 0.00 -0.27 2.02 -1.32 0.77 112.91 113.79 2i2u h THR 30 Ca -0.02 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.04 2i2u h THR 30 Cb 0.73 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.21 2i2u h THR 30 CO -0.12 0.07 0.08 0.61 0.37 0.00 0.00 175.52 176.53 2i2u n GLY 31 N -1.34 -0.34 1.23 2.16 0.00 -0.94 -0.05 105.19 105.91 2i2u n GLY 31 Ca 0.20 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.15 2i2u n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i2u n ALA 32 N -1.32 4.33 -2.28 4.61 0.00 0.26 -4.92 120.51 121.20 2i2u n ALA 32 Ca 0.00 -3.45 -0.20 0.00 0.00 0.00 0.00 53.44 49.80 2i2u n ALA 32 Cb 0.08 -0.46 -0.02 0.00 0.00 0.00 0.00 19.45 19.05 2i2u n ALA 32 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2i2u n GLU 33 N -0.98 -1.55 -3.83 0.00 -0.58 0.92 -4.67 120.64 109.95 2i2u n GLU 33 Ca 0.31 0.99 -0.36 0.00 -0.42 0.00 0.00 57.16 57.68 2i2u n GLU 33 Cb 0.84 -5.55 -0.06 0.00 -0.57 0.00 0.00 31.44 26.10 2i2u n GLU 33 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 2i2u s GLY 34 N -2.19 2.21 -0.16 0.62 0.00 -1.10 -4.74 107.32 101.96 2i2u s GLY 34 Ca 0.00 -0.60 0.01 0.00 0.00 0.00 0.00 44.72 44.13 2i2u s GLY 34 CO 0.00 -0.36 -0.17 0.54 0.00 0.00 0.00 173.10 173.10 2i2u s LYS 35 N -1.25 2.64 -1.12 2.90 1.02 -1.05 -3.48 119.74 119.39 2i2u s LYS 35 Ca 0.19 -0.70 -0.22 0.00 0.02 0.00 0.00 55.97 55.26 2i2u s LYS 35 Cb -0.13 -2.30 -0.02 0.00 -0.52 0.00 0.00 37.83 34.86 2i2u s LYS 35 CO 0.09 -0.18 1.82 0.42 -0.92 0.00 0.00 175.35 176.57 2i2u s ILE 36 N 1.28 3.71 -0.57 2.17 1.09 -1.26 -0.42 121.20 127.20 2i2u s ILE 36 Ca 0.02 -1.01 0.00 0.00 -1.10 0.00 0.00 60.65 58.57 2i2u s ILE 36 Cb -0.13 -4.66 0.00 0.00 -1.06 0.00 0.00 42.46 36.60 2i2u s ILE 36 CO -0.10 -1.37 0.41 1.41 -0.10 0.00 0.00 174.94 175.20 2i2u n HIS 37 N 12.07 0.00 0.00 3.97 8.25 -1.14 -4.74 115.22 133.63 2i2u n HIS 37 Ca 0.43 -0.12 0.00 0.00 -0.26 0.00 0.00 57.72 57.77 2i2u n HIS 37 Cb 0.47 -0.11 0.00 0.00 1.12 0.00 0.00 29.99 31.47 2i2u n HIS 37 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 2i2u n ARG 38 N 0.43 0.00 0.00 -0.41 0.63 -1.24 -4.63 116.66 111.43 2i2u n ARG 38 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2i2u n ARG 38 Cb 0.20 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.11 2i2u n ARG 38 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 2i2u n LEU 39 N 0.00 -0.62 0.00 6.15 -0.00 -0.09 -4.91 117.00 117.53 2i2u n LEU 39 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 2i2u n LEU 39 Cb 0.00 0.59 0.00 0.00 -0.00 0.00 0.00 43.42 44.01 2i2u n LEU 39 CO 0.00 0.00 0.00 -1.84 -0.00 0.00 0.00 177.39 175.55 2i2u n GLU 40 N 0.26 0.00 -3.60 1.96 0.28 -1.26 -4.88 120.64 113.40 2i2u n GLU 40 Ca 0.00 0.00 -0.05 0.00 -0.16 0.00 0.00 57.16 56.95 2i2u n GLU 40 Cb 0.00 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 32.84 2i2u n GLU 40 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 2i2u s ASP 41 N 2.00 -0.14 0.00 -1.84 3.68 -1.26 -3.32 116.67 115.79 2i2u s ASP 41 Ca 0.00 0.05 0.00 0.00 2.13 0.00 0.00 52.55 54.73 2i2u s ASP 41 Cb 0.00 0.14 0.00 0.00 -1.45 0.00 0.00 42.92 41.61 2i2u s ASP 41 CO 0.00 -0.20 0.27 0.79 0.13 0.00 0.00 175.17 176.16 2i2u n TRP 42 N 0.10 0.00 -4.49 -5.34 7.02 -1.26 -4.94 117.44 108.53 2i2u n TRP 42 Ca -0.01 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.47 2i2u n TRP 42 Cb 0.58 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.47 2i2u n TRP 42 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2i2u n GLY 43 N 0.32 0.28 3.35 6.99 0.00 -1.26 -4.25 105.19 110.63 2i2u n GLY 43 Ca 0.00 -0.87 -0.41 0.00 0.00 0.00 0.00 46.02 44.74 2i2u n GLY 43 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2i2u n ARG 44 N 0.00 2.87 -2.83 1.61 1.85 -1.26 -2.36 116.66 116.53 2i2u n ARG 44 Ca 0.00 -2.97 -0.40 0.00 -1.00 0.00 0.00 57.85 53.49 2i2u n ARG 44 Cb 0.00 -3.45 -0.06 0.00 -1.05 0.00 0.00 32.46 27.90 2i2u n ARG 44 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 2i2u s ARG 45 N 4.24 4.74 -0.20 2.89 6.06 -1.08 -4.90 118.95 130.70 2i2u s ARG 45 Ca 0.54 1.36 -0.23 0.00 -2.50 0.00 0.00 55.73 54.90 2i2u s ARG 45 Cb 0.06 -3.25 -0.02 0.00 0.06 0.00 0.00 34.95 31.81 2i2u s ARG 45 CO 0.05 0.52 0.75 -1.14 -2.50 0.00 0.00 175.30 172.98 2i2u s GLN 46 N -1.22 4.22 0.40 5.12 0.74 -1.26 -2.45 119.66 125.21 2i2u s GLN 46 Ca 0.40 0.83 -0.25 0.00 0.05 0.00 0.00 55.36 56.39 2i2u s GLN 46 Cb -0.25 -3.60 -0.09 0.00 1.10 0.00 0.00 33.01 30.18 2i2u s GLN 46 CO 0.30 -0.36 1.10 -0.51 -0.55 0.00 0.00 175.29 175.27 2i2u s LEU 47 N 2.28 4.17 0.00 3.68 1.43 -1.25 -4.94 118.68 124.06 2i2u s LEU 47 Ca 0.33 2.17 0.00 0.00 -1.03 0.00 0.00 54.13 55.61 2i2u s LEU 47 Cb -0.16 -4.10 0.00 0.00 0.03 0.00 0.00 46.19 41.96 2i2u s LEU 47 CO 0.10 -0.57 0.46 0.00 0.23 0.00 0.00 176.35 176.58 2i2u n ALA 48 N 0.03 0.00 -1.92 4.21 0.00 -1.26 -4.70 120.51 116.87 2i2u n ALA 48 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.19 2i2u n ALA 48 Cb 0.48 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.98 2i2u n ALA 48 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 2i2u s TYR 49 N -0.93 3.28 0.69 0.00 1.13 -1.26 -4.96 117.35 115.31 2i2u s TYR 49 Ca 0.00 0.95 -0.13 0.00 -1.41 0.00 0.00 57.07 56.48 2i2u s TYR 49 Cb 0.00 -3.04 0.01 0.00 -1.10 0.00 0.00 41.96 37.83 2i2u s TYR 49 CO 0.00 -1.16 1.09 -1.25 -2.51 0.00 0.00 175.55 171.72 2i2u s PRO 50 N -5.31 2.72 -0.18 -3.49 0.04 -1.26 -4.68 135.00 122.85 2i2u s PRO 50 Ca 0.58 1.21 -0.07 0.00 0.04 0.00 0.00 61.00 62.75 2i2u s PRO 50 Cb -0.11 -1.95 0.08 0.00 0.04 0.00 0.00 34.50 32.56 2i2u s PRO 50 CO 0.50 -1.29 0.39 0.42 0.04 0.00 0.00 177.00 177.07 2i2u s ILE 51 N -2.68 -0.46 -1.48 0.56 1.01 -0.90 -4.93 121.20 112.33 2i2u s ILE 51 Ca 0.63 0.16 -0.02 0.00 0.00 0.00 0.00 60.65 61.43 2i2u s ILE 51 Cb -0.17 -0.62 0.00 0.00 0.01 0.00 0.00 42.46 41.68 2i2u s ILE 51 CO 0.48 0.07 0.19 -3.20 0.00 0.00 0.00 174.94 172.48 2i2u n ASN 52 N 5.10 0.22 -1.13 3.58 5.15 -1.26 -4.20 115.26 122.72 2i2u n ASN 52 Ca -0.12 -1.17 -0.00 0.00 -0.60 0.00 0.00 54.58 52.69 2i2u n ASN 52 Cb 0.51 -2.18 -0.00 0.00 -0.53 0.00 0.00 39.78 37.58 2i2u n ASN 52 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 2i2u n LYS 53 N -4.53 -0.19 -0.80 1.20 4.81 -1.26 -5.04 118.16 112.35 2i2u n LYS 53 Ca -0.31 0.62 0.07 0.00 -0.87 0.00 0.00 58.31 57.82 2i2u n LYS 53 Cb 0.69 -0.74 -0.04 0.00 0.02 0.00 0.00 35.03 34.96 2i2u n LYS 53 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 2i2u n LEU 54 N 0.07 -0.65 -4.02 3.14 -0.00 -1.26 -4.90 117.00 109.38 2i2u n LEU 54 Ca -0.00 1.37 -0.31 0.00 -0.00 0.00 0.00 56.01 57.07 2i2u n LEU 54 Cb 0.00 -1.53 -0.15 0.00 -0.00 0.00 0.00 43.42 41.74 2i2u n LEU 54 CO 0.00 -0.96 -0.33 -1.38 -0.00 0.00 0.00 177.39 174.72 2i2u s HIS 55 N -3.99 3.75 0.00 1.96 -3.43 -1.26 -2.12 115.29 110.19 2i2u s HIS 55 Ca 0.00 -3.00 0.00 0.00 -0.80 0.00 0.00 55.06 51.26 2i2u s HIS 55 Cb 0.00 -2.92 0.00 0.00 -1.43 0.00 0.00 32.58 28.23 2i2u s HIS 55 CO 0.00 -0.95 0.00 1.17 -2.00 0.00 0.00 174.74 172.96 2i2u n LYS 56 N 4.26 0.00 -4.22 -0.38 4.81 -1.26 -3.77 118.16 117.60 2i2u n LYS 56 Ca 0.04 0.00 -0.15 0.00 -0.87 0.00 0.00 58.31 57.33 2i2u n LYS 56 Cb 0.42 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 35.37 2i2u n LYS 56 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2i2u s ALA 57 N 0.00 1.32 0.15 3.14 0.00 -1.03 -4.05 121.76 121.30 2i2u s ALA 57 Ca 0.00 -1.34 -0.22 0.00 0.00 0.00 0.00 51.96 50.39 2i2u s ALA 57 Cb 0.00 0.02 -0.08 0.00 0.00 0.00 0.00 23.12 23.07 2i2u s ALA 57 CO 0.00 -0.04 0.71 -1.58 0.00 0.00 0.00 175.76 174.84 2i2u s HIS 58 N -2.80 3.83 0.00 0.00 2.46 -0.94 -2.65 115.29 115.18 2i2u s HIS 58 Ca 0.11 1.48 0.00 0.00 0.47 0.00 0.00 55.06 57.12 2i2u s HIS 58 Cb -0.01 -2.66 0.00 0.00 -0.13 0.00 0.00 32.58 29.78 2i2u s HIS 58 CO 0.01 0.50 0.00 0.66 -2.47 0.00 0.00 174.74 173.44 2i2u n TYR 59 N 1.44 0.00 0.00 3.88 4.02 -1.00 -0.36 117.16 125.15 2i2u n TYR 59 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.83 2i2u n TYR 59 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.82 2i2u n TYR 59 CO 0.00 0.00 0.00 1.55 -1.01 0.00 0.00 176.86 177.40 2i2u n VAL 60 N 0.00 0.00 -2.29 -0.72 3.14 -1.23 -4.63 118.33 112.60 2i2u n VAL 60 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2i2u n VAL 60 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 2i2u n VAL 60 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 2i2u n LEU 61 N 0.00 0.00 0.00 6.55 7.99 -1.21 -3.55 117.00 126.78 2i2u n LEU 61 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 2i2u n LEU 61 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 2i2u n LEU 61 CO 0.00 0.00 0.00 0.80 -1.51 0.00 0.00 177.39 176.68 2i2u n MET 62 N 0.00 0.00 -3.00 3.23 1.56 -1.11 -4.56 117.12 113.24 2i2u n MET 62 Ca 0.00 0.00 -0.12 0.00 -0.27 0.00 0.00 57.70 57.31 2i2u n MET 62 Cb 0.00 0.00 0.05 0.00 2.15 0.00 0.00 33.22 35.42 2i2u n MET 62 CO 0.00 0.00 0.00 0.09 -0.73 0.00 0.00 175.97 175.33 2i2u n ASN 63 N 0.00 -3.05 -4.86 6.12 4.13 -1.26 -0.91 115.26 115.44 2i2u n ASN 63 Ca 0.00 -0.36 -0.32 0.00 1.68 0.00 0.00 54.58 55.58 2i2u n ASN 63 Cb 0.00 -3.34 -0.05 0.00 -1.54 0.00 0.00 39.78 34.85 2i2u n ASN 63 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2i2u s VAL 64 N -3.21 4.69 -0.75 2.41 1.01 -1.26 -2.88 120.40 120.40 2i2u s VAL 64 Ca 0.14 0.88 -0.06 0.00 0.00 0.00 0.00 61.98 62.94 2i2u s VAL 64 Cb -0.06 -3.66 0.19 0.00 0.00 0.00 0.00 36.38 32.85 2i2u s VAL 64 CO 0.45 -0.35 0.62 -0.70 0.00 0.00 0.00 175.10 175.12 2i2u s GLU 65 N -3.39 3.05 0.05 2.72 2.12 0.44 -2.95 118.70 120.74 2i2u s GLU 65 Ca 0.54 -2.69 0.03 0.00 0.36 0.00 0.00 54.97 53.21 2i2u s GLU 65 Cb -0.10 -4.00 -0.03 0.00 0.26 0.00 0.00 34.13 30.26 2i2u s GLU 65 CO 0.23 -1.22 -0.10 0.00 -0.54 0.00 0.00 175.26 173.63 2i2u s ALA 66 N -0.30 0.78 0.55 6.30 0.00 -1.21 -2.54 121.76 125.33 2i2u s ALA 66 Ca 0.20 -0.85 -0.21 0.00 0.00 0.00 0.00 51.96 51.10 2i2u s ALA 66 Cb -0.15 -0.00 -0.05 0.00 0.00 0.00 0.00 23.12 22.92 2i2u s ALA 66 CO -0.07 0.04 1.31 -1.25 0.00 0.00 0.00 175.76 175.80 2i2u s PRO 67 N -1.64 3.13 0.32 0.00 0.04 -1.26 -3.64 135.00 131.94 2i2u s PRO 67 Ca -0.07 2.12 0.08 0.00 0.04 0.00 0.00 61.00 63.17 2i2u s PRO 67 Cb -0.10 -2.19 0.91 0.00 0.04 0.00 0.00 34.50 33.15 2i2u s PRO 67 CO 0.01 -1.16 1.65 1.96 0.04 0.00 0.00 177.00 179.50 2i2u h GLN 68 N 1.37 0.24 -1.59 4.56 7.50 -1.94 0.14 115.11 125.38 2i2u h GLN 68 Ca -0.51 -0.01 0.51 0.00 0.50 0.00 0.00 58.65 59.14 2i2u h GLN 68 Cb 1.30 -0.05 -0.12 0.00 0.05 0.00 0.00 27.48 28.65 2i2u h GLN 68 CO 0.57 0.16 1.07 0.39 -1.50 0.00 0.00 178.83 179.52 2i2u n GLU 69 N -5.16 -0.02 -0.09 1.46 1.02 -1.26 -0.44 120.64 116.15 2i2u n GLU 69 Ca 0.27 1.21 -0.13 0.00 -0.02 0.00 0.00 57.16 58.48 2i2u n GLU 69 Cb 0.84 -2.50 -0.14 0.00 -0.02 0.00 0.00 31.44 29.62 2i2u n GLU 69 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 2i2u n VAL 70 N -4.47 1.48 0.13 2.62 0.24 0.03 -4.36 118.33 113.99 2i2u n VAL 70 Ca 0.42 -0.75 0.06 0.00 -2.04 0.00 0.00 64.34 62.03 2i2u n VAL 70 Cb 1.73 -0.92 0.53 0.00 -1.47 0.00 0.00 33.84 33.71 2i2u n VAL 70 CO 0.00 0.00 0.00 -0.29 -2.14 0.00 0.00 176.83 174.40 2i2u h ILE 71 N 0.01 1.06 0.12 1.34 6.09 -0.62 -1.79 117.51 123.72 2i2u h ILE 71 Ca -0.51 -0.11 -0.01 0.00 -1.37 0.00 0.00 64.86 62.86 2i2u h ILE 71 Cb 2.10 0.75 -0.00 0.00 0.47 0.00 0.00 36.82 40.14 2i2u h ILE 71 CO 0.01 0.06 -0.07 -0.78 -3.07 0.00 0.00 178.15 174.29 2i2u h ASP 72 N 0.29 -0.19 -0.24 2.19 -0.00 -1.56 0.32 116.42 117.23 2i2u h ASP 72 Ca 0.08 0.01 0.07 0.00 -0.00 0.00 0.00 57.03 57.19 2i2u h ASP 72 Cb -0.02 0.05 -0.01 0.00 -0.00 0.00 0.00 39.33 39.35 2i2u h ASP 72 CO -0.02 -0.11 0.31 1.05 -0.00 0.00 0.00 179.24 180.47 2i2u h GLU 73 N -0.18 0.00 -0.21 0.28 4.11 -1.77 0.19 114.58 117.00 2i2u h GLU 73 Ca -0.02 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.36 2i2u h GLU 73 Cb 0.15 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 2i2u h GLU 73 CO 0.02 0.00 -0.10 1.25 0.07 0.00 0.00 179.01 180.25 2i2u h LEU 74 N 0.00 0.44 -0.39 3.06 7.12 -0.67 -2.70 115.31 122.17 2i2u h LEU 74 Ca 0.12 -0.41 -0.04 0.00 0.13 0.00 0.00 57.88 57.68 2i2u h LEU 74 Cb 0.74 -0.12 -0.02 0.00 -0.53 0.00 0.00 40.66 40.73 2i2u h LEU 74 CO -0.00 0.75 0.10 -0.33 -0.13 0.00 0.00 178.44 178.84 2i2u h GLU 75 N 0.13 0.62 -0.33 1.25 5.08 0.27 -3.12 114.58 118.47 2i2u h GLU 75 Ca 0.05 -0.14 0.06 0.00 -1.00 0.00 0.00 59.36 58.33 2i2u h GLU 75 Cb 0.59 -0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.70 2i2u h GLU 75 CO 0.03 0.64 -0.04 1.79 -1.00 0.00 0.00 179.01 180.42 2i2u h THR 76 N 0.48 0.71 -0.93 1.13 1.35 -1.32 -2.91 112.91 111.43 2i2u h THR 76 Ca 0.12 -0.01 0.08 0.00 -0.55 0.00 0.00 66.41 66.05 2i2u h THR 76 Cb 0.29 0.66 -0.11 0.00 -1.73 0.00 0.00 68.15 67.27 2i2u h THR 76 CO -0.00 0.01 -0.55 0.41 -0.25 0.00 0.00 175.52 175.14 2i2u n THR 77 N -5.23 -0.63 -0.23 6.82 -1.04 -1.02 0.49 114.28 113.44 2i2u n THR 77 Ca 0.01 2.25 0.01 0.00 -2.04 0.00 0.00 64.05 64.28 2i2u n THR 77 Cb 0.18 -2.79 0.13 0.00 -1.82 0.00 0.00 70.33 66.03 2i2u n THR 77 CO 0.00 0.00 0.00 -0.26 -0.64 0.00 0.00 175.07 174.17 2i2u h PHE 78 N 0.00 0.55 0.00 -1.42 -1.00 -1.62 0.13 116.94 113.58 2i2u h PHE 78 Ca 0.15 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.96 2i2u h PHE 78 Cb 0.38 -0.15 0.00 0.00 3.61 0.00 0.00 35.95 39.79 2i2u h PHE 78 CO -0.96 0.18 0.00 0.54 -1.61 0.00 0.00 178.31 176.46 2i2u n ARG 79 N -4.91 0.47 -0.26 1.51 5.12 0.18 -1.42 116.66 117.35 2i2u n ARG 79 Ca 0.10 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.02 2i2u n ARG 79 Cb 0.27 -1.24 0.00 0.00 -1.16 0.00 0.00 32.46 30.33 2i2u n ARG 79 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 2i2u n PHE 80 N 0.36 0.00 -3.83 -1.55 3.72 0.02 -5.02 117.46 111.16 2i2u n PHE 80 Ca 0.00 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.07 2i2u n PHE 80 Cb 0.14 0.08 -0.12 0.00 -0.94 0.00 0.00 39.48 38.64 2i2u n PHE 80 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 2i2u s ASN 81 N -0.27 4.81 0.34 4.37 3.84 -0.51 -4.96 114.94 122.55 2i2u s ASN 81 Ca 0.00 -2.93 0.17 0.00 0.21 0.00 0.00 52.86 50.31 2i2u s ASN 81 Cb 0.00 -1.75 1.19 0.00 -0.55 0.00 0.00 41.25 40.14 2i2u s ASN 81 CO 0.00 -0.30 1.50 -0.90 -2.79 0.00 0.00 177.10 174.61 2i2u n ASP 82 N 3.30 0.26 0.04 -4.21 5.75 -1.26 -1.59 116.55 118.84 2i2u n ASP 82 Ca 0.07 1.58 -0.02 0.00 -0.01 0.00 0.00 54.79 56.40 2i2u n ASP 82 Cb 0.35 -0.74 -0.01 0.00 -1.03 0.00 0.00 41.12 39.69 2i2u n ASP 82 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2i2u h ALA 83 N 1.90 -0.82 -2.75 2.12 0.00 -1.95 -3.42 119.26 114.35 2i2u h ALA 83 Ca 0.77 -0.03 -0.53 0.00 0.00 0.00 0.00 54.91 55.13 2i2u h ALA 83 Cb 1.98 0.30 0.07 0.00 0.00 0.00 0.00 17.79 20.14 2i2u h ALA 83 CO -0.76 -0.82 0.85 0.54 0.00 0.00 0.00 179.25 179.07 2i2u s VAL 84 N -3.38 2.33 0.00 0.00 0.11 -0.62 -2.53 120.40 116.30 2i2u s VAL 84 Ca -0.02 0.27 0.00 0.00 -2.93 0.00 0.00 61.98 59.29 2i2u s VAL 84 Cb 0.01 -3.17 0.00 0.00 -1.53 0.00 0.00 36.38 31.68 2i2u s VAL 84 CO 0.08 0.04 0.00 -0.38 -3.33 0.00 0.00 175.10 171.51 2i2u n ILE 85 N 2.55 0.00 -0.72 7.04 5.41 -0.73 -4.77 119.36 128.14 2i2u n ILE 85 Ca 0.09 0.00 -0.00 0.00 1.00 0.00 0.00 62.75 63.83 2i2u n ILE 85 Cb 0.38 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.32 2i2u n ILE 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 2i2u n ARG 86 N 0.00 -0.60 0.00 0.38 1.74 -1.26 -4.93 116.66 111.99 2i2u n ARG 86 Ca 0.00 -0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 2i2u n ARG 86 Cb 0.00 -0.02 0.00 0.00 -1.02 0.00 0.00 32.46 31.42 2i2u n ARG 86 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2i2u n SER 87 N -3.02 0.00 0.00 0.55 3.41 -1.26 -3.53 113.62 109.77 2i2u n SER 87 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2i2u n SER 87 Cb 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 2i2u n SER 87 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 2i2u n MET 88 N 0.00 -2.80 0.00 4.33 1.56 -1.17 -4.91 117.12 114.13 2i2u n MET 88 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.43 2i2u n MET 88 Cb 0.00 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.37 2i2u n MET 88 CO 0.00 0.00 0.00 1.55 -0.73 0.00 0.00 175.97 176.79 2i2u n VAL 89 N 0.01 0.00 0.00 1.12 3.14 -1.26 -3.92 118.33 117.42 2i2u n VAL 89 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2i2u n VAL 89 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 2i2u n VAL 89 CO 0.00 0.00 0.00 0.23 -6.46 0.00 0.00 176.83 170.60 2i2u n MET 90 N 0.00 3.01 -0.50 1.45 0.00 -1.26 -4.97 117.12 114.85 2i2u n MET 90 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 2i2u n MET 90 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 2i2u n MET 90 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 175.97 178.86 2i2u n ARG 91 N 0.00 0.50 0.00 0.03 -4.01 -1.26 -4.70 116.66 107.21 2i2u n ARG 91 Ca 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.81 2i2u n ARG 91 Cb 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.42 2i2u n ARG 91 CO 0.00 0.00 0.00 2.41 -3.04 0.00 0.00 177.63 177.00 2i2u n THR 92 N 0.00 0.00 -2.11 8.89 -1.04 -0.34 -3.43 114.28 116.25 2i2u n THR 92 Ca 0.00 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 61.95 2i2u n THR 92 Cb 0.00 -0.58 -0.00 0.00 -1.82 0.00 0.00 70.33 67.93 2i2u n THR 92 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2i2u n LYS 93 N 0.00 -0.47 -2.20 -2.82 0.00 -1.26 -4.60 118.16 106.81 2i2u n LYS 93 Ca 0.00 0.29 0.00 0.00 0.00 0.00 0.00 58.31 58.60 2i2u n LYS 93 Cb 0.00 -4.12 0.00 0.00 0.00 0.00 0.00 35.03 30.91 2i2u n LYS 93 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 2i2u n HIS 94 N -4.01 -4.46 -1.17 5.64 8.25 -1.26 -4.84 115.22 113.37 2i2u n HIS 94 Ca -0.07 2.65 -0.45 0.00 -0.26 0.00 0.00 57.72 59.60 2i2u n HIS 94 Cb 0.55 -3.68 -0.05 0.00 1.12 0.00 0.00 29.99 27.93 2i2u n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2i2u n ALA 95 N 1.69 -2.87 -2.77 -1.41 0.00 -1.26 -4.98 120.51 108.91 2i2u n ALA 95 Ca 0.00 0.44 -0.24 0.00 0.00 0.00 0.00 53.44 53.65 2i2u n ALA 95 Cb 0.00 -1.37 -0.06 0.00 0.00 0.00 0.00 19.45 18.03 2i2u n ALA 95 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2i2u s VAL 96 N -0.23 4.19 -0.40 0.00 1.01 -1.26 -5.11 120.40 118.61 2i2u s VAL 96 Ca 0.66 -1.42 0.04 0.00 0.00 0.00 0.00 61.98 61.26 2i2u s VAL 96 Cb -0.93 -3.21 0.16 0.00 0.00 0.00 0.00 36.38 32.39 2i2u s VAL 96 CO 0.45 -0.27 0.41 -0.89 0.00 0.00 0.00 175.10 174.80 2i2u s THR 97 N -2.02 -0.22 0.00 3.92 2.01 -1.26 -4.68 115.64 113.39 2i2u s THR 97 Ca 0.31 -1.48 0.00 0.00 0.31 0.00 0.00 61.69 60.83 2i2u s THR 97 Cb -0.08 -0.75 0.00 0.00 0.01 0.00 0.00 72.50 71.67 2i2u s THR 97 CO 0.23 -0.71 0.00 -1.84 -0.69 0.00 0.00 174.62 171.61 2i2u n GLU 98 N 3.66 0.00 -2.51 4.92 -0.00 -1.26 -5.14 120.64 120.31 2i2u n GLU 98 Ca 0.17 0.00 -0.04 0.00 -0.00 0.00 0.00 57.16 57.29 2i2u n GLU 98 Cb 0.47 0.00 -0.04 0.00 -0.00 0.00 0.00 31.44 31.87 2i2u n GLU 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2i2u n ALA 99 N 0.00 -3.25 -0.58 -1.84 0.00 -1.26 -5.09 120.51 108.49 2i2u n ALA 99 Ca 0.00 1.91 0.00 0.00 0.00 0.00 0.00 53.44 55.35 2i2u n ALA 99 Cb 0.00 -3.88 0.00 0.00 0.00 0.00 0.00 19.45 15.57 2i2u n ALA 99 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93