#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2zjq n HIS 3 N 0.00 -4.13 0.00 7.33 8.25 -1.26 -4.90 115.22 120.52 2zjq n HIS 3 Ca 0.00 1.30 0.00 0.00 -0.26 0.00 0.00 57.72 58.76 2zjq n HIS 3 Cb 0.00 3.09 0.00 0.00 1.12 0.00 0.00 29.99 34.20 2zjq n HIS 3 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2zjq n TYR 4 N -3.44 0.00 -1.70 4.41 4.01 -1.26 -4.59 117.16 114.59 2zjq n TYR 4 Ca 0.00 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.46 2zjq n TYR 4 Cb 0.00 -0.34 0.21 0.00 -0.31 0.00 0.00 39.34 38.89 2zjq n TYR 4 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 2zjq n ASP 5 N -1.34 -0.35 0.00 7.72 3.85 -1.26 -4.50 116.55 120.67 2zjq n ASP 5 Ca -0.00 -1.39 0.00 0.00 -0.71 0.00 0.00 54.79 52.69 2zjq n ASP 5 Cb 0.16 -0.97 0.00 0.00 -1.35 0.00 0.00 41.12 38.96 2zjq n ASP 5 CO 0.00 0.00 0.00 -0.38 -1.01 0.00 0.00 177.20 175.81 2zjq n ILE 6 N -3.96 0.00 -1.47 2.12 5.41 -1.26 -4.90 119.36 115.30 2zjq n ILE 6 Ca 0.16 0.00 -0.43 0.00 1.00 0.00 0.00 62.75 63.47 2zjq n ILE 6 Cb 0.55 0.00 -0.00 0.00 -0.71 0.00 0.00 39.64 39.48 2zjq n ILE 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2zjq n LEU 7 N 0.00 0.09 -0.03 1.39 -0.00 -1.26 -3.24 117.00 113.96 2zjq n LEU 7 Ca 0.00 1.01 -0.01 0.00 -0.00 0.00 0.00 56.01 57.01 2zjq n LEU 7 Cb 0.00 -1.12 -0.06 0.00 -0.00 0.00 0.00 43.42 42.24 2zjq n LEU 7 CO 0.00 -2.60 -0.69 1.67 -0.00 0.00 0.00 177.39 175.77 2zjq n GLN 8 N 0.72 1.89 0.00 1.47 -0.06 0.12 -4.87 117.38 116.64 2zjq n GLN 8 Ca 0.12 -0.03 0.00 0.00 -2.00 0.00 0.00 57.00 55.09 2zjq n GLN 8 Cb 0.35 -1.19 0.00 0.00 -4.06 0.00 0.00 30.24 25.34 2zjq n GLN 8 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2zjq n ALA 9 N -2.10 0.00 -2.13 1.69 0.00 -0.90 -4.96 120.51 112.10 2zjq n ALA 9 Ca -0.08 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.00 2zjq n ALA 9 Cb 0.55 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.94 2zjq n ALA 9 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2zjq s PRO 10 N -2.00 4.19 -0.41 0.00 0.04 -1.26 0.23 135.00 135.79 2zjq s PRO 10 Ca 0.00 0.80 -0.28 0.00 0.04 0.00 0.00 61.00 61.56 2zjq s PRO 10 Cb 0.00 -2.84 0.02 0.00 0.04 0.00 0.00 34.50 31.72 2zjq s PRO 10 CO 0.00 0.38 1.08 0.08 0.04 0.00 0.00 177.00 178.58 2zjq s VAL 11 N -1.56 4.37 0.00 -0.36 1.01 -0.22 -4.63 120.40 119.01 2zjq s VAL 11 Ca 0.43 1.37 0.00 0.00 0.00 0.00 0.00 61.98 63.79 2zjq s VAL 11 Cb -0.16 -4.50 0.00 0.00 0.00 0.00 0.00 36.38 31.72 2zjq s VAL 11 CO 0.20 -0.77 0.00 2.30 0.00 0.00 0.00 175.10 176.84 2zjq n ILE 12 N 6.39 0.00 -1.45 2.22 -0.00 -1.26 -4.70 119.36 120.57 2zjq n ILE 12 Ca 0.11 0.00 0.19 0.00 -0.00 0.00 0.00 62.75 63.05 2zjq n ILE 12 Cb 0.48 -0.20 -0.06 0.00 -0.00 0.00 0.00 39.64 39.85 2zjq n ILE 12 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.55 175.01 2zjq n SER 13 N 0.00 -8.59 -0.11 7.28 3.41 -1.26 -3.77 113.62 110.57 2zjq n SER 13 Ca 0.00 0.95 -0.23 0.00 -0.26 0.00 0.00 58.87 59.33 2zjq n SER 13 Cb 0.00 -4.63 -0.10 0.00 -0.26 0.00 0.00 64.21 59.22 2zjq n SER 13 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 2zjq n GLU 14 N -4.27 0.57 0.07 4.33 0.28 -1.26 -3.63 120.64 116.72 2zjq n GLU 14 Ca -0.03 0.45 -0.16 0.00 -0.16 0.00 0.00 57.16 57.26 2zjq n GLU 14 Cb 0.68 -1.64 -0.10 0.00 1.43 0.00 0.00 31.44 31.81 2zjq n GLU 14 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 2zjq h LYS 15 N -1.00 -0.67 -0.90 3.44 1.79 -1.97 1.05 116.57 118.31 2zjq h LYS 15 Ca -0.44 0.05 0.17 0.00 -2.18 0.00 0.00 60.65 58.24 2zjq h LYS 15 Cb 1.36 0.15 -0.17 0.00 -1.58 0.00 0.00 32.23 32.00 2zjq h LYS 15 CO -0.27 -0.44 -0.26 0.00 -1.08 0.00 0.00 179.45 177.39 2zjq h ALA 16 N -0.43 0.47 -0.07 3.86 0.00 -1.77 2.93 119.26 124.24 2zjq h ALA 16 Ca 0.01 0.32 -0.04 0.00 0.00 0.00 0.00 54.91 55.20 2zjq h ALA 16 Cb 0.73 0.75 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 2zjq h ALA 16 CO -0.34 -0.46 -0.16 -0.92 0.00 0.00 0.00 179.25 177.37 2zjq h TYR 17 N -0.01 0.12 -0.04 0.00 3.20 -1.03 0.84 116.97 120.04 2zjq h TYR 17 Ca 0.40 -0.01 -0.19 0.00 3.14 0.00 0.00 58.73 62.08 2zjq h TYR 17 Cb 0.64 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.87 2zjq h TYR 17 CO -0.73 0.27 -0.78 0.77 -1.64 0.00 0.00 178.16 176.05 2zjq h SER 18 N 0.11 0.36 0.40 -2.11 0.02 1.27 -2.93 113.55 110.66 2zjq h SER 18 Ca 0.02 -0.25 -0.07 0.00 -0.84 0.00 0.00 61.79 60.64 2zjq h SER 18 Cb 0.35 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 2zjq h SER 18 CO 0.02 1.00 -0.35 0.00 -1.14 0.00 0.00 176.83 176.37 2zjq h ALA 19 N 0.98 1.36 -0.54 3.77 0.00 0.44 -2.56 119.26 122.71 2zjq h ALA 19 Ca -0.04 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.44 2zjq h ALA 19 Cb 1.37 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 2zjq h ALA 19 CO 0.13 0.44 -0.11 1.98 0.00 0.00 0.00 179.25 181.68 2zjq h MET 20 N 0.00 1.01 0.00 0.00 -1.53 -0.81 -1.57 114.93 112.03 2zjq h MET 20 Ca -0.00 -0.37 0.00 0.00 -3.44 0.00 0.00 59.70 55.88 2zjq h MET 20 Cb 0.64 -0.07 0.00 0.00 -0.55 0.00 0.00 31.60 31.63 2zjq h MET 20 CO 0.05 1.06 0.00 0.39 0.14 0.00 0.00 176.91 178.54 2zjq n GLU 21 N -4.14 0.05 -0.16 0.39 -0.58 -0.97 0.85 120.64 116.07 2zjq n GLU 21 Ca 0.02 0.00 0.04 0.00 -0.42 0.00 0.00 57.16 56.80 2zjq n GLU 21 Cb 0.40 -1.40 0.06 0.00 -0.57 0.00 0.00 31.44 29.93 2zjq n GLU 21 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 2zjq n ARG 22 N -0.90 1.10 -2.38 3.49 1.85 -0.67 -5.00 116.66 114.15 2zjq n ARG 22 Ca 0.01 -1.69 -0.08 0.00 -1.00 0.00 0.00 57.85 55.09 2zjq n ARG 22 Cb 0.00 -1.01 0.01 0.00 -1.05 0.00 0.00 32.46 30.41 2zjq n ARG 22 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2zjq n GLY 23 N -0.69 0.17 3.27 2.89 0.00 0.25 -5.03 105.19 106.04 2zjq n GLY 23 Ca 0.07 -0.50 -0.32 0.00 0.00 0.00 0.00 46.02 45.26 2zjq n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2zjq s VAL 24 N -2.61 2.37 0.22 1.61 1.01 -0.72 -3.92 120.40 118.35 2zjq s VAL 24 Ca 0.07 -0.91 0.09 0.00 0.00 0.00 0.00 61.98 61.23 2zjq s VAL 24 Cb -0.03 -1.94 -0.04 0.00 0.00 0.00 0.00 36.38 34.37 2zjq s VAL 24 CO 0.08 0.55 -0.03 -0.31 0.00 0.00 0.00 175.10 175.39 2zjq s TYR 25 N 0.34 2.72 -0.30 5.22 2.02 -0.57 -2.80 117.35 123.98 2zjq s TYR 25 Ca -0.16 -0.20 -0.06 0.00 -0.37 0.00 0.00 57.07 56.28 2zjq s TYR 25 Cb -0.17 -1.27 0.16 0.00 -0.40 0.00 0.00 41.96 40.27 2zjq s TYR 25 CO 0.08 0.56 0.63 -1.54 -1.57 0.00 0.00 175.55 173.71 2zjq s SER 26 N -3.24 -1.26 0.35 2.29 1.04 -1.26 -0.96 113.70 110.65 2zjq s SER 26 Ca 0.28 1.25 0.05 0.00 0.48 0.00 0.00 55.95 58.01 2zjq s SER 26 Cb -0.08 2.24 -0.07 0.00 0.10 0.00 0.00 66.02 68.21 2zjq s SER 26 CO 0.18 -0.24 0.02 0.72 0.98 0.00 0.00 173.24 174.91 2zjq s PHE 27 N 2.88 2.17 -0.29 5.02 -0.12 -1.04 -1.06 117.98 125.55 2zjq s PHE 27 Ca 0.07 -0.82 -0.23 0.00 -0.05 0.00 0.00 56.93 55.90 2zjq s PHE 27 Cb -0.13 -1.45 -0.00 0.00 -0.63 0.00 0.00 43.02 40.81 2zjq s PHE 27 CO -0.20 0.21 0.78 -1.58 -0.05 0.00 0.00 175.22 174.38 2zjq s TRP 28 N -3.04 3.22 0.00 3.49 0.52 0.61 -1.72 118.94 122.02 2zjq s TRP 28 Ca 0.35 0.85 0.00 0.00 0.02 0.00 0.00 56.10 57.32 2zjq s TRP 28 Cb 0.09 -3.16 0.00 0.00 -1.15 0.00 0.00 33.47 29.25 2zjq s TRP 28 CO 0.16 -0.52 0.00 1.33 0.02 0.00 0.00 176.95 177.94 2zjq n VAL 29 N 5.47 0.00 -3.35 4.03 0.24 -1.23 0.12 118.33 123.60 2zjq n VAL 29 Ca 0.03 0.00 -0.35 0.00 -2.04 0.00 0.00 64.34 61.98 2zjq n VAL 29 Cb 0.48 -1.29 -0.06 0.00 -1.47 0.00 0.00 33.84 31.50 2zjq n VAL 29 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2zjq s SER 30 N -1.00 6.83 0.02 -1.34 0.01 -1.20 -4.27 113.70 112.75 2zjq s SER 30 Ca 0.00 1.08 -0.04 0.00 1.31 0.00 0.00 55.95 58.30 2zjq s SER 30 Cb 0.00 -2.29 -0.01 0.00 0.21 0.00 0.00 66.02 63.93 2zjq s SER 30 CO 0.00 0.10 1.07 -0.65 0.41 0.00 0.00 173.24 174.17 2zjq h PRO 31 N 3.57 -0.02 -5.56 12.44 0.11 -1.90 -2.91 132.00 137.73 2zjq h PRO 31 Ca -0.49 0.00 -0.67 0.00 0.11 0.00 0.00 66.00 64.96 2zjq h PRO 31 Cb 1.19 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 32.18 2zjq h PRO 31 CO 0.66 -0.01 1.57 0.15 -0.21 0.00 0.00 178.00 180.15 2zjq s LYS 32 N -3.32 3.82 -0.35 1.05 1.02 -1.26 -4.66 119.74 116.03 2zjq s LYS 32 Ca -0.02 -1.81 0.15 0.00 0.02 0.00 0.00 55.97 54.31 2zjq s LYS 32 Cb 0.01 -5.27 0.43 0.00 -0.52 0.00 0.00 37.83 32.48 2zjq s LYS 32 CO 0.08 -2.05 1.09 0.00 -0.92 0.00 0.00 175.35 173.54 2zjq n ALA 33 N 7.65 2.58 0.00 5.17 0.00 -1.10 -5.13 120.51 129.68 2zjq n ALA 33 Ca 0.37 -2.49 0.00 0.00 0.00 0.00 0.00 53.44 51.32 2zjq n ALA 33 Cb 0.47 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.96 2zjq n ALA 33 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2zjq n THR 34 N -0.23 0.00 -0.26 0.00 -2.24 -1.26 -4.05 114.28 106.24 2zjq n THR 34 Ca 0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 2zjq n THR 34 Cb 0.82 0.00 0.07 0.00 -2.10 0.00 0.00 70.33 69.12 2zjq n THR 34 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2zjq h LYS 35 N 0.00 -0.04 0.35 -0.78 3.64 -1.98 -2.42 116.57 115.34 2zjq h LYS 35 Ca 0.00 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 2zjq h LYS 35 Cb 0.00 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 2zjq h LYS 35 CO 0.00 -0.02 -0.19 1.79 -2.27 0.00 0.00 179.45 178.75 2zjq h THR 36 N -0.04 0.00 -0.96 1.00 1.35 -1.98 0.34 112.91 112.62 2zjq h THR 36 Ca 0.34 0.00 0.09 0.00 -0.55 0.00 0.00 66.41 66.29 2zjq h THR 36 Cb 0.56 0.00 -0.12 0.00 -1.73 0.00 0.00 68.15 66.86 2zjq h THR 36 CO -0.78 0.00 -0.58 -0.33 -0.25 0.00 0.00 175.52 173.58 2zjq h GLU 37 N -0.50 -0.03 -0.62 4.72 3.07 -1.82 0.42 114.58 119.82 2zjq h GLU 37 Ca -0.05 0.00 0.11 0.00 -0.50 0.00 0.00 59.36 58.92 2zjq h GLU 37 Cb 0.39 0.01 -0.08 0.00 -0.84 0.00 0.00 28.75 28.23 2zjq h GLU 37 CO 0.06 -0.02 0.20 0.97 -1.40 0.00 0.00 179.01 178.82 2zjq h ILE 38 N -0.03 0.71 -1.00 3.13 2.10 -1.39 0.63 117.51 121.66 2zjq h ILE 38 Ca 0.16 -0.12 0.06 0.00 1.08 0.00 0.00 64.86 66.04 2zjq h ILE 38 Cb 0.43 0.32 -0.07 0.00 -1.09 0.00 0.00 36.82 36.41 2zjq h ILE 38 CO -0.92 0.06 0.65 0.50 -1.08 0.00 0.00 178.15 177.37 2zjq h LYS 39 N 0.36 1.15 0.00 2.19 3.64 0.31 -2.80 116.57 121.42 2zjq h LYS 39 Ca 0.32 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 2zjq h LYS 39 Cb 0.44 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 2zjq h LYS 39 CO -0.35 0.76 0.00 -3.47 -2.27 0.00 0.00 179.45 174.12 2zjq n ASP 40 N -4.49 0.00 0.00 4.20 2.03 0.19 -3.32 116.55 115.16 2zjq n ASP 40 Ca 0.15 0.61 0.00 0.00 0.52 0.00 0.00 54.79 56.07 2zjq n ASP 40 Cb 0.18 -0.11 0.00 0.00 -0.72 0.00 0.00 41.12 40.47 2zjq n ASP 40 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2zjq n ALA 41 N -0.82 0.00 -0.14 -1.67 0.00 0.43 -1.05 120.51 117.26 2zjq n ALA 41 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2zjq n ALA 41 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2zjq n ALA 41 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 2zjq n ILE 42 N -0.60 0.00 0.00 0.00 0.13 -1.07 -1.47 119.36 116.35 2zjq n ILE 42 Ca 0.00 0.79 0.00 0.00 -1.10 0.00 0.00 62.75 62.44 2zjq n ILE 42 Cb 0.00 -1.08 0.00 0.00 -0.84 0.00 0.00 39.64 37.72 2zjq n ILE 42 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 2zjq n GLN 43 N -2.13 0.00 0.00 9.51 6.02 -0.22 0.16 117.38 130.72 2zjq n GLN 43 Ca 0.00 0.44 0.02 0.00 -0.01 0.00 0.00 57.00 57.45 2zjq n GLN 43 Cb 0.00 -0.68 0.12 0.00 1.02 0.00 0.00 30.24 30.70 2zjq n GLN 43 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2zjq n GLN 44 N -2.16 0.18 -0.00 -1.09 1.13 -0.54 0.23 117.38 115.12 2zjq n GLN 44 Ca 0.00 0.00 0.05 0.00 -1.94 0.00 0.00 57.00 55.11 2zjq n GLN 44 Cb 0.00 -1.35 -0.06 0.00 0.11 0.00 0.00 30.24 28.95 2zjq n GLN 44 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2zjq n ALA 45 N -0.85 3.16 -0.82 -1.58 0.00 0.41 -4.54 120.51 116.30 2zjq n ALA 45 Ca 0.03 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.20 2zjq n ALA 45 Cb 0.01 -0.35 0.00 0.00 0.00 0.00 0.00 19.45 19.12 2zjq n ALA 45 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2zjq n PHE 46 N -1.29 0.00 -2.92 0.00 3.01 0.31 -5.06 117.46 111.52 2zjq n PHE 46 Ca 0.01 -0.06 -0.01 0.00 1.01 0.00 0.00 57.45 58.41 2zjq n PHE 46 Cb 0.16 -0.01 -0.01 0.00 -0.01 0.00 0.00 39.48 39.62 2zjq n PHE 46 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2zjq n GLY 47 N -0.06 -2.42 0.00 1.37 0.00 0.61 -4.66 105.19 100.03 2zjq n GLY 47 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.42 2zjq n GLY 47 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2zjq n VAL 48 N 1.21 0.00 -3.04 1.61 3.14 -1.16 -4.99 118.33 115.10 2zjq n VAL 48 Ca -0.05 0.00 -0.10 0.00 -2.96 0.00 0.00 64.34 61.23 2zjq n VAL 48 Cb 0.26 0.00 0.03 0.00 -1.06 0.00 0.00 33.84 33.07 2zjq n VAL 48 CO 0.00 0.00 0.00 -2.11 -6.46 0.00 0.00 176.83 168.26 2zjq n ARG 49 N -0.52 0.80 -3.67 1.45 1.85 -1.26 -4.24 116.66 111.07 2zjq n ARG 49 Ca 0.00 -1.63 -0.20 0.00 -1.00 0.00 0.00 57.85 55.01 2zjq n ARG 49 Cb 0.00 -0.12 -0.18 0.00 -1.05 0.00 0.00 32.46 31.11 2zjq n ARG 49 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 2zjq s VAL 50 N -0.89 -0.11 -0.08 8.89 1.01 -1.26 -4.29 120.40 123.66 2zjq s VAL 50 Ca 0.31 0.39 -0.25 0.00 0.00 0.00 0.00 61.98 62.44 2zjq s VAL 50 Cb -0.02 -0.18 -0.29 0.00 0.00 0.00 0.00 36.38 35.89 2zjq s VAL 50 CO 0.20 0.15 0.86 0.40 0.00 0.00 0.00 175.10 176.71 2zjq h ILE 51 N 6.44 1.63 -3.77 2.22 2.04 -1.38 -3.48 117.51 121.20 2zjq h ILE 51 Ca -0.12 -2.43 -0.24 0.00 1.00 0.00 0.00 64.86 63.07 2zjq h ILE 51 Cb 1.12 3.25 -0.15 0.00 -0.74 0.00 0.00 36.82 40.30 2zjq h ILE 51 CO 0.16 0.67 -0.70 -0.83 0.00 0.00 0.00 178.15 177.44 2zjq s GLY 52 N -4.31 0.79 -0.14 5.37 0.00 -1.20 -5.01 107.32 102.82 2zjq s GLY 52 Ca -0.16 -1.32 -0.11 0.00 0.00 0.00 0.00 44.72 43.13 2zjq s GLY 52 CO 0.77 -1.42 0.36 -1.50 0.00 0.00 0.00 173.10 171.31 2zjq s ILE 53 N -3.39 -0.01 -0.01 0.90 1.10 -1.26 -1.94 121.20 116.59 2zjq s ILE 53 Ca 0.11 0.04 0.04 0.00 -0.51 0.00 0.00 60.65 60.33 2zjq s ILE 53 Cb 0.04 -0.52 -0.01 0.00 0.15 0.00 0.00 42.46 42.12 2zjq s ILE 53 CO -0.04 0.02 -0.12 -0.94 -2.11 0.00 0.00 174.94 171.75 2zjq s SER 54 N 0.63 1.42 -0.09 4.50 1.04 0.38 -4.99 113.70 116.60 2zjq s SER 54 Ca -0.04 -0.23 -0.22 0.00 0.48 0.00 0.00 55.95 55.94 2zjq s SER 54 Cb -0.05 -0.15 0.05 0.00 0.10 0.00 0.00 66.02 65.97 2zjq s SER 54 CO -0.04 0.14 0.53 0.28 0.98 0.00 0.00 173.24 175.13 2zjq s THR 55 N -0.31 0.02 -0.27 2.02 -1.32 -1.26 0.87 115.64 115.38 2zjq s THR 55 Ca 0.04 -0.15 -0.26 0.00 -1.21 0.00 0.00 61.69 60.12 2zjq s THR 55 Cb -0.05 -0.81 0.15 0.00 -1.51 0.00 0.00 72.50 70.28 2zjq s THR 55 CO -0.00 -0.08 1.16 -0.04 -2.21 0.00 0.00 174.62 173.45 2zjq s MET 56 N -0.79 0.37 0.70 7.08 -1.94 -1.18 -5.04 119.30 118.50 2zjq s MET 56 Ca -0.09 0.37 -0.16 0.00 -1.71 0.00 0.00 55.69 54.10 2zjq s MET 56 Cb -0.03 0.18 0.02 0.00 2.01 0.00 0.00 34.83 37.01 2zjq s MET 56 CO 0.05 -0.06 1.22 -0.80 -0.01 0.00 0.00 175.02 175.43 2zjq s ASN 57 N -0.05 4.39 -0.26 3.03 0.01 -1.26 -3.85 114.94 116.95 2zjq s ASN 57 Ca 0.04 2.40 -0.01 0.00 -0.71 0.00 0.00 52.86 54.58 2zjq s ASN 57 Cb -0.04 -2.59 0.13 0.00 0.41 0.00 0.00 41.25 39.15 2zjq s ASN 57 CO -0.08 -2.14 0.33 -0.69 -1.51 0.00 0.00 177.10 173.01 2zjq s VAL 58 N -1.84 -0.50 0.00 1.60 1.01 -0.78 -4.93 120.40 114.97 2zjq s VAL 58 Ca 0.76 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.49 2zjq s VAL 58 Cb -0.31 -0.87 0.00 0.00 0.00 0.00 0.00 36.38 35.20 2zjq s VAL 58 CO 0.43 -0.27 0.00 -0.81 0.00 0.00 0.00 175.10 174.44 2zjq n PRO 59 N 5.34 -0.24 0.00 2.72 -0.04 -1.26 -0.28 135.00 141.24 2zjq n PRO 59 Ca -0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 2zjq n PRO 59 Cb 0.49 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.95 2zjq n PRO 59 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2zjq n GLY 60 N 0.00 0.14 1.40 0.55 0.00 -1.26 -4.40 105.19 101.62 2zjq n GLY 60 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.91 2zjq n GLY 60 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2zjq n LYS 61 N -1.65 0.00 0.00 1.61 4.81 -1.21 -4.85 118.16 116.87 2zjq n LYS 61 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2zjq n LYS 61 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 2zjq n LYS 61 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46 2zjq n ARG 62 N -0.24 3.47 0.00 1.64 1.85 -1.25 -4.73 116.66 117.40 2zjq n ARG 62 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 2zjq n ARG 62 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 2zjq n ARG 62 CO 0.00 0.00 0.00 0.36 -0.01 0.00 0.00 177.63 177.98 2zjq n LYS 63 N 0.00 -1.59 0.07 2.89 2.85 -1.26 -3.44 118.16 117.68 2zjq n LYS 63 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 2zjq n LYS 63 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 2zjq n LYS 63 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2zjq n ARG 64 N -1.60 0.00 -2.66 -1.58 1.74 -1.26 -5.12 116.66 106.17 2zjq n ARG 64 Ca 0.00 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.06 2zjq n ARG 64 Cb 0.00 -0.33 0.01 0.00 -1.02 0.00 0.00 32.46 31.12 2zjq n ARG 64 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2zjq n VAL 65 N -3.37 0.00 -0.02 1.55 0.31 -1.26 -5.15 118.33 110.40 2zjq n VAL 65 Ca 0.00 -0.29 0.00 0.00 -0.01 0.00 0.00 64.34 64.04 2zjq n VAL 65 Cb 0.07 0.40 0.00 0.00 -0.91 0.00 0.00 33.84 33.39 2zjq n VAL 65 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2zjq n GLY 66 N -0.37 1.19 0.25 2.92 0.00 -1.26 -4.62 105.19 103.31 2zjq n GLY 66 Ca -0.01 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.76 2zjq n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2zjq n ARG 67 N 2.82 0.00 -0.91 1.61 1.74 -1.26 -3.04 116.66 117.62 2zjq n ARG 67 Ca 0.00 0.00 -0.18 0.00 -0.77 0.00 0.00 57.85 56.90 2zjq n ARG 67 Cb 0.00 -0.87 0.12 0.00 -1.02 0.00 0.00 32.46 30.69 2zjq n ARG 67 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 2zjq n PHE 68 N 0.00 2.24 0.00 -1.55 3.72 -1.26 -4.97 117.46 115.64 2zjq n PHE 68 Ca 0.00 -1.59 0.00 0.00 -0.05 0.00 0.00 57.45 55.81 2zjq n PHE 68 Cb 0.00 -0.81 0.00 0.00 -0.94 0.00 0.00 39.48 37.73 2zjq n PHE 68 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 176.76 177.15 2zjq n ILE 69 N -0.64 0.00 -2.67 4.37 -6.64 -1.17 -4.78 119.36 107.83 2zjq n ILE 69 Ca 0.44 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 61.42 2zjq n ILE 69 Cb 1.27 0.00 0.00 0.00 -1.44 0.00 0.00 39.64 39.47 2zjq n ILE 69 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 2zjq n GLY 70 N 0.00 -0.52 3.62 3.28 0.00 -1.22 -4.04 105.19 106.30 2zjq n GLY 70 Ca 0.00 -0.90 -0.06 0.00 0.00 0.00 0.00 46.02 45.06 2zjq n GLY 70 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2zjq s GLN 71 N -1.53 0.31 0.43 1.61 0.74 -1.26 -4.93 119.66 115.03 2zjq s GLN 71 Ca 0.00 0.14 -0.07 0.00 0.05 0.00 0.00 55.36 55.49 2zjq s GLN 71 Cb 0.00 0.15 0.10 0.00 1.10 0.00 0.00 33.01 34.36 2zjq s GLN 71 CO 0.00 -0.08 0.23 0.54 -0.55 0.00 0.00 175.29 175.43 2zjq n ARG 72 N 0.96 -1.94 0.00 1.67 5.12 -1.26 -3.36 116.66 117.84 2zjq n ARG 72 Ca -0.07 -0.39 0.00 0.00 -1.93 0.00 0.00 57.85 55.46 2zjq n ARG 72 Cb 0.58 -0.58 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 2zjq n ARG 72 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2zjq n ASN 73 N -2.92 0.00 -0.64 0.55 3.02 -1.26 -4.55 115.26 109.45 2zjq n ASN 73 Ca 0.04 -0.30 0.00 0.00 -0.03 0.00 0.00 54.58 54.29 2zjq n ASN 73 Cb 0.16 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.33 2zjq n ASN 73 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2zjq n ASP 74 N 0.00 0.00 -1.07 6.41 8.00 -1.26 -4.95 116.55 123.69 2zjq n ASP 74 Ca 0.00 0.37 0.00 0.00 0.71 0.00 0.00 54.79 55.87 2zjq n ASP 74 Cb 0.07 -0.56 0.00 0.00 -0.02 0.00 0.00 41.12 40.62 2zjq n ASP 74 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2zjq n ARG 75 N 1.26 2.54 -2.71 -1.24 1.74 0.62 -4.89 116.66 113.97 2zjq n ARG 75 Ca 0.00 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 57.00 2zjq n ARG 75 Cb 0.00 0.00 0.10 0.00 -1.02 0.00 0.00 32.46 31.54 2zjq n ARG 75 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 2zjq n LYS 76 N 0.00 1.08 -1.56 5.56 4.81 -1.26 -1.87 118.16 124.92 2zjq n LYS 76 Ca 0.00 -1.81 -0.58 0.00 -0.87 0.00 0.00 58.31 55.06 2zjq n LYS 76 Cb 0.00 -0.44 -0.07 0.00 0.02 0.00 0.00 35.03 34.54 2zjq n LYS 76 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 2zjq n LYS 77 N -0.19 0.41 -4.47 1.64 4.81 -1.25 -3.49 118.16 115.63 2zjq n LYS 77 Ca -0.00 0.15 -0.22 0.00 -0.87 0.00 0.00 58.31 57.36 2zjq n LYS 77 Cb 0.78 -1.70 -0.14 0.00 0.02 0.00 0.00 35.03 33.99 2zjq n LYS 77 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2zjq s ALA 78 N 0.58 1.42 -0.05 3.14 0.00 -0.70 -3.10 121.76 123.04 2zjq s ALA 78 Ca 0.91 -0.92 0.05 0.00 0.00 0.00 0.00 51.96 51.99 2zjq s ALA 78 Cb -1.18 -0.25 -0.01 0.00 0.00 0.00 0.00 23.12 21.68 2zjq s ALA 78 CO 0.56 0.29 -0.20 0.42 0.00 0.00 0.00 175.76 176.83 2zjq s ILE 79 N -0.83 1.68 0.13 0.00 1.01 0.25 -2.48 121.20 120.96 2zjq s ILE 79 Ca 0.04 -0.86 0.08 0.00 0.00 0.00 0.00 60.65 59.91 2zjq s ILE 79 Cb -0.08 -1.43 -0.04 0.00 0.01 0.00 0.00 42.46 40.92 2zjq s ILE 79 CO 0.02 0.48 -0.20 0.68 0.00 0.00 0.00 174.94 175.92 2zjq s VAL 80 N -0.05 1.74 -0.25 2.92 -7.23 -0.14 -0.47 120.40 116.92 2zjq s VAL 80 Ca -0.04 -1.70 0.02 0.00 -1.81 0.00 0.00 61.98 58.45 2zjq s VAL 80 Cb -0.12 -1.66 0.06 0.00 0.56 0.00 0.00 36.38 35.22 2zjq s VAL 80 CO 0.03 -0.18 -0.06 -0.60 -0.31 0.00 0.00 175.10 173.98 2zjq s ARG 81 N -2.28 1.79 1.22 4.82 3.52 -0.82 -1.52 118.95 125.68 2zjq s ARG 81 Ca 0.10 -1.16 -0.19 0.00 -0.13 0.00 0.00 55.73 54.35 2zjq s ARG 81 Cb -0.08 -2.71 0.29 0.00 -1.56 0.00 0.00 34.95 30.90 2zjq s ARG 81 CO 0.05 -0.62 1.10 -0.51 -0.81 0.00 0.00 175.30 174.51 2zjq s LEU 82 N 1.28 0.57 0.00 -0.88 1.43 -1.25 -1.17 118.68 118.66 2zjq s LEU 82 Ca -0.06 0.65 -0.08 0.00 -1.03 0.00 0.00 54.13 53.62 2zjq s LEU 82 Cb -0.19 -2.37 0.17 0.00 0.03 0.00 0.00 46.19 43.83 2zjq s LEU 82 CO -0.06 -4.22 1.04 0.00 0.23 0.00 0.00 176.35 173.34 2zjq n ALA 83 N -4.83 -0.62 0.21 4.21 0.00 -1.26 -4.52 120.51 113.71 2zjq n ALA 83 Ca 0.13 -1.64 0.06 0.00 0.00 0.00 0.00 53.44 51.99 2zjq n ALA 83 Cb 0.59 0.10 0.33 0.00 0.00 0.00 0.00 19.45 20.48 2zjq n ALA 83 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2zjq h GLU 84 N 0.00 0.00 -3.30 0.00 4.57 -2.00 -2.67 114.58 111.18 2zjq h GLU 84 Ca -0.34 0.00 -0.46 0.00 -1.18 0.00 0.00 59.36 57.38 2zjq h GLU 84 Cb 1.07 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 29.68 2zjq h GLU 84 CO 0.29 0.00 2.94 0.41 -1.18 0.00 0.00 179.01 181.48 2zjq n GLY 85 N -1.28 3.43 3.03 1.92 0.00 -1.26 -4.89 105.19 106.14 2zjq n GLY 85 Ca -0.01 -1.03 -0.34 0.00 0.00 0.00 0.00 46.02 44.64 2zjq n GLY 85 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2zjq n GLN 86 N 4.01 -0.36 -1.35 1.61 6.02 -1.01 -4.90 117.38 121.39 2zjq n GLN 86 Ca 0.54 -0.10 0.05 0.00 -0.01 0.00 0.00 57.00 57.48 2zjq n GLN 86 Cb 0.16 -1.14 -0.03 0.00 1.02 0.00 0.00 30.24 30.26 2zjq n GLN 86 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 2zjq n SER 87 N 2.39 -7.31 -3.89 1.08 3.41 -1.26 -4.98 113.62 103.06 2zjq n SER 87 Ca -0.01 1.55 -0.27 0.00 -0.26 0.00 0.00 58.87 59.88 2zjq n SER 87 Cb 0.67 -4.39 -0.17 0.00 -0.26 0.00 0.00 64.21 60.06 2zjq n SER 87 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 2zjq s ILE 88 N -4.92 1.03 0.00 -1.33 -5.25 -1.26 -5.04 121.20 104.43 2zjq s ILE 88 Ca 0.00 -0.45 0.00 0.00 -0.99 0.00 0.00 60.65 59.21 2zjq s ILE 88 Cb 0.00 -1.14 0.00 0.00 2.95 0.00 0.00 42.46 44.27 2zjq s ILE 88 CO 0.00 0.23 0.00 -0.62 -1.79 0.00 0.00 174.94 172.76 2zjq n GLU 89 N 4.92 0.00 0.00 0.37 1.02 -1.26 -2.86 120.64 122.83 2zjq n GLU 89 Ca -0.12 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.02 2zjq n GLU 89 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.91 2zjq n GLU 89 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2zjq n ALA 90 N 7.58 0.01 0.20 0.62 0.00 -1.26 -4.84 120.51 122.82 2zjq n ALA 90 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2zjq n ALA 90 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2zjq n ALA 90 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2zjq n LEU 91 N 0.00 1.68 0.01 0.00 7.99 -1.14 -1.55 117.00 124.00 2zjq n LEU 91 Ca 0.00 -0.80 0.00 0.00 -0.01 0.00 0.00 56.01 55.20 2zjq n LEU 91 Cb 0.25 -0.32 0.00 0.00 -0.11 0.00 0.00 43.42 43.25 2zjq n LEU 91 CO 0.00 0.30 0.00 0.00 -1.51 0.00 0.00 177.39 176.18 2zjq n ALA 92 N 1.14 3.00 0.16 -1.18 0.00 -1.26 -4.75 120.51 117.62 2zjq n ALA 92 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2zjq n ALA 92 Cb 0.22 0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.70 2zjq n ALA 92 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2zjq n GLY 93 N 2.94 -0.24 0.00 0.00 0.00 -0.59 -5.04 105.19 102.26 2zjq n GLY 93 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2zjq n GLY 93 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26