#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zpq n ALA 4 N 0.00 -0.50 0.02 2.89 0.00 -1.26 -5.01 120.51 116.65 1zpq n ALA 4 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 1zpq n ALA 4 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 1zpq n ALA 4 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1zpq n ASN 5 N 0.00 0.44 -0.13 0.00 6.94 -1.26 -4.90 115.26 116.34 1zpq n ASN 5 Ca 0.00 0.06 -0.25 0.00 -0.02 0.00 0.00 54.58 54.36 1zpq n ASN 5 Cb 0.00 -0.13 -0.11 0.00 -2.36 0.00 0.00 39.78 37.18 1zpq n ASN 5 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1zpq n LYS 6 N -3.20 0.61 -0.32 -3.83 4.76 -1.26 -4.60 118.16 110.32 1zpq n LYS 6 Ca -0.00 0.22 -0.01 0.00 -2.87 0.00 0.00 58.31 55.64 1zpq n LYS 6 Cb 0.32 -1.49 0.03 0.00 -1.84 0.00 0.00 35.03 32.04 1zpq n LYS 6 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 1zpq n ARG 7 N -3.86 -0.21 0.30 1.97 3.00 -1.26 -1.99 116.66 114.61 1zpq n ARG 7 Ca -0.51 1.29 -0.17 0.00 -0.00 0.00 0.00 57.85 58.45 1zpq n ARG 7 Cb 0.92 -1.91 -0.08 0.00 0.00 0.00 0.00 32.46 31.39 1zpq n ARG 7 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.63 176.66 1zpq h ASN 8 N 0.00 -1.01 -0.35 6.15 -0.73 -1.91 -2.85 115.58 114.88 1zpq h ASN 8 Ca 0.28 0.07 0.03 0.00 1.87 0.00 0.00 56.30 58.55 1zpq h ASN 8 Cb 0.49 0.32 -0.03 0.00 0.27 0.00 0.00 38.32 39.37 1zpq h ASN 8 CO -0.83 -0.57 0.16 -0.33 -0.37 0.00 0.00 177.43 175.49 1zpq h GLU 9 N -0.88 0.33 -0.31 6.67 3.07 -1.68 0.36 114.58 122.13 1zpq h GLU 9 Ca -0.06 -0.02 0.09 0.00 -0.50 0.00 0.00 59.36 58.87 1zpq h GLU 9 Cb 0.74 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.57 1zpq h GLU 9 CO 0.01 0.22 0.66 0.00 -1.40 0.00 0.00 179.01 178.50 1zpq h ALA 10 N 1.19 1.99 0.10 3.43 0.00 -1.36 0.64 119.26 125.26 1zpq h ALA 10 Ca 0.15 -0.01 -0.33 0.00 0.00 0.00 0.00 54.91 54.72 1zpq h ALA 10 Cb 0.08 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1zpq h ALA 10 CO -0.12 -0.82 -1.77 -0.07 0.00 0.00 0.00 179.25 176.47 1zpq h LEU 11 N 0.00 0.32 0.22 0.00 3.38 -0.42 -2.84 115.31 115.96 1zpq h LEU 11 Ca 0.15 -0.84 -0.01 0.00 0.09 0.00 0.00 57.88 57.27 1zpq h LEU 11 Cb 1.47 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.12 1zpq h LEU 11 CO -0.00 1.75 -0.11 -0.09 0.09 0.00 0.00 178.44 180.09 1zpq h ARG 12 N -0.22 -0.28 0.10 1.13 2.43 0.24 -2.03 114.38 115.75 1zpq h ARG 12 Ca -0.40 0.02 0.02 0.00 -0.81 0.00 0.00 59.98 58.81 1zpq h ARG 12 Cb 1.84 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 31.42 1zpq h ARG 12 CO 0.01 -0.12 -0.26 0.82 -1.51 0.00 0.00 179.97 178.92 1zpq h ILE 13 N -0.39 0.43 -1.02 1.20 2.04 -0.07 -2.40 117.51 117.32 1zpq h ILE 13 Ca -0.03 0.00 0.26 0.00 1.00 0.00 0.00 64.86 66.09 1zpq h ILE 13 Cb 0.30 0.43 -0.08 0.00 -0.74 0.00 0.00 36.82 36.73 1zpq h ILE 13 CO 0.05 0.00 0.66 -0.08 0.00 0.00 0.00 178.15 178.78 1zpq h GLU 14 N -0.45 0.37 0.00 2.37 4.81 -1.46 -2.09 114.58 118.13 1zpq h GLU 14 Ca 0.03 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1zpq h GLU 14 Cb 0.49 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.78 1zpq h GLU 14 CO -0.16 0.24 0.00 0.45 -0.73 0.00 0.00 179.01 178.81 1zpq n SER 15 N -4.57 0.00 0.19 1.04 2.88 -0.77 -2.82 113.62 109.56 1zpq n SER 15 Ca 0.24 0.58 0.16 0.00 -1.33 0.00 0.00 58.87 58.52 1zpq n SER 15 Cb 0.86 -0.08 0.59 0.00 -0.75 0.00 0.00 64.21 64.83 1zpq n SER 15 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1zpq h ALA 16 N -1.94 1.91 0.15 -1.46 0.00 -1.37 -1.54 119.26 115.01 1zpq h ALA 16 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1zpq h ALA 16 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1zpq h ALA 16 CO 0.00 -0.75 -0.07 -0.07 0.00 0.00 0.00 179.25 178.36 1zpq h LEU 17 N 0.00 -0.17 0.00 0.00 4.07 -1.32 -1.77 115.31 116.12 1zpq h LEU 17 Ca 0.13 0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.09 1zpq h LEU 17 Cb 1.35 0.04 0.00 0.00 1.08 0.00 0.00 40.66 43.14 1zpq h LEU 17 CO -0.00 -0.07 0.00 0.00 -1.08 0.00 0.00 178.44 177.28 1zpq n LEU 18 N -2.79 0.00 0.06 1.67 -0.00 -0.67 0.26 117.00 115.53 1zpq n LEU 18 Ca -0.02 0.24 -0.11 0.00 -0.00 0.00 0.00 56.01 56.12 1zpq n LEU 18 Cb 0.08 -0.24 -0.13 0.00 -0.00 0.00 0.00 43.42 43.13 1zpq n LEU 18 CO 0.06 -0.15 -0.02 -1.13 -0.00 0.00 0.00 177.39 176.14 1zpq h ASN 19 N 0.00 0.16 0.03 1.45 -0.73 -1.34 -3.32 115.58 111.82 1zpq h ASN 19 Ca 0.00 -0.18 0.00 0.00 1.87 0.00 0.00 56.30 57.99 1zpq h ASN 19 Cb 0.09 -0.05 0.00 0.00 0.27 0.00 0.00 38.32 38.63 1zpq h ASN 19 CO 0.00 1.14 -1.74 0.29 -0.37 0.00 0.00 177.43 176.76 1zpq n LYS 20 N -3.38 0.50 -0.46 6.67 4.76 0.74 -2.50 118.16 124.50 1zpq n LYS 20 Ca -0.06 -0.14 0.05 0.00 -2.87 0.00 0.00 58.31 55.29 1zpq n LYS 20 Cb 0.98 -1.52 0.23 0.00 -1.84 0.00 0.00 35.03 32.88 1zpq n LYS 20 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1zpq n ILE 21 N -2.09 1.39 0.00 -0.18 5.41 0.47 -0.51 119.36 123.84 1zpq n ILE 21 Ca -0.02 -0.76 0.00 0.00 1.00 0.00 0.00 62.75 62.96 1zpq n ILE 21 Cb 0.51 -0.22 0.00 0.00 -0.71 0.00 0.00 39.64 39.22 1zpq n ILE 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1zpq n ALA 22 N 0.46 2.39 -1.00 -1.39 0.00 -1.25 -3.65 120.51 116.06 1zpq n ALA 22 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1zpq n ALA 22 Cb 0.71 0.15 0.00 0.00 0.00 0.00 0.00 19.45 20.31 1zpq n ALA 22 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1zpq n MET 23 N -2.13 0.00 0.00 0.00 0.00 -1.04 -3.12 117.12 110.83 1zpq n MET 23 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 57.70 57.77 1zpq n MET 23 Cb 0.15 -0.21 0.35 0.00 0.00 0.00 0.00 33.22 33.51 1zpq n MET 23 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 175.97 175.86 1zpq n LEU 24 N 0.00 0.00 0.00 -0.89 7.94 0.29 -4.83 117.00 119.50 1zpq n LEU 24 Ca 0.00 0.34 0.00 0.00 -1.11 0.00 0.00 56.01 55.24 1zpq n LEU 24 Cb 0.00 -0.34 0.00 0.00 0.53 0.00 0.00 43.42 43.61 1zpq n LEU 24 CO 0.00 -0.18 0.00 0.61 -1.11 0.00 0.00 177.39 176.71 1zpq n GLY 25 N -0.05 0.00 2.33 -3.96 0.00 0.33 -3.13 105.19 100.71 1zpq n GLY 25 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 1zpq n GLY 25 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1zpq n THR 26 N 0.00 3.83 -0.07 2.61 -1.04 -1.24 -0.25 114.28 118.12 1zpq n THR 26 Ca 0.00 -2.25 -0.13 0.00 -2.04 0.00 0.00 64.05 59.63 1zpq n THR 26 Cb 0.00 -2.46 -0.05 0.00 -1.82 0.00 0.00 70.33 66.00 1zpq n THR 26 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1zpq n GLU 27 N 3.56 0.30 0.00 -2.82 -0.58 -1.18 -4.84 120.64 115.08 1zpq n GLU 27 Ca 0.69 0.11 0.00 0.00 -0.42 0.00 0.00 57.16 57.54 1zpq n GLU 27 Cb 0.28 -1.08 0.00 0.00 -0.57 0.00 0.00 31.44 30.08 1zpq n GLU 27 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1zpq n LYS 28 N -3.38 2.41 0.02 3.49 4.76 -0.80 -4.97 118.16 119.69 1zpq n LYS 28 Ca -0.26 -0.05 0.01 0.00 -2.87 0.00 0.00 58.31 55.13 1zpq n LYS 28 Cb 0.71 -0.35 0.04 0.00 -1.84 0.00 0.00 35.03 33.59 1zpq n LYS 28 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 1zpq n THR 29 N -0.36 1.46 0.27 -0.18 -1.04 0.66 -3.29 114.28 111.80 1zpq n THR 29 Ca 0.00 0.52 0.13 0.00 -2.04 0.00 0.00 64.05 62.66 1zpq n THR 29 Cb 0.03 -1.52 0.76 0.00 -1.82 0.00 0.00 70.33 67.77 1zpq n THR 29 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1zpq h ALA 30 N 1.53 1.32 0.03 2.41 0.00 -1.87 -3.13 119.26 119.56 1zpq h ALA 30 Ca 0.00 -0.09 -0.38 0.00 0.00 0.00 0.00 54.91 54.44 1zpq h ALA 30 Cb 0.24 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.96 1zpq h ALA 30 CO 0.00 0.12 -2.34 -1.91 0.00 0.00 0.00 179.25 175.12 1zpq n GLU 31 N -3.68 0.68 -0.49 0.00 2.13 -1.23 0.24 120.64 118.29 1zpq n GLU 31 Ca -0.02 0.16 0.43 0.00 0.66 0.00 0.00 57.16 58.39 1zpq n GLU 31 Cb 0.21 -1.57 0.72 0.00 0.27 0.00 0.00 31.44 31.07 1zpq n GLU 31 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1zpq h ALA 32 N 0.18 3.46 0.00 4.31 0.00 -1.67 -0.82 119.26 124.71 1zpq h ALA 32 Ca -0.53 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.26 1zpq h ALA 32 Cb 1.97 0.12 -0.12 0.00 0.00 0.00 0.00 17.79 19.76 1zpq h ALA 32 CO -0.03 -2.03 -0.57 1.33 0.00 0.00 0.00 179.25 177.95 1zpq n VAL 33 N -3.81 0.00 -3.24 0.00 0.24 -1.18 -5.03 118.33 105.31 1zpq n VAL 33 Ca 0.35 -0.28 -0.20 0.00 -2.04 0.00 0.00 64.34 62.17 1zpq n VAL 33 Cb 1.71 0.57 0.02 0.00 -1.47 0.00 0.00 33.84 34.67 1zpq n VAL 33 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1zpq n GLY 34 N 0.14 -0.53 3.56 7.63 0.00 0.83 -4.92 105.19 111.90 1zpq n GLY 34 Ca -0.01 0.78 -0.30 0.00 0.00 0.00 0.00 46.02 46.49 1zpq n GLY 34 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1zpq s VAL 35 N -1.52 3.29 0.21 1.61 1.01 0.67 -4.93 120.40 120.74 1zpq s VAL 35 Ca 0.22 -1.25 0.00 0.00 0.00 0.00 0.00 61.98 60.95 1zpq s VAL 35 Cb -0.03 -2.52 0.00 0.00 0.00 0.00 0.00 36.38 33.83 1zpq s VAL 35 CO 0.60 0.15 0.00 -0.90 0.00 0.00 0.00 175.10 174.95 1zpq n ASP 36 N 0.84 -0.84 0.00 3.32 5.75 -1.26 -4.38 116.55 119.98 1zpq n ASP 36 Ca -0.14 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.64 1zpq n ASP 36 Cb 0.52 -0.21 0.00 0.00 -1.03 0.00 0.00 41.12 40.40 1zpq n ASP 36 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1zpq n LYS 37 N 1.26 0.00 0.01 0.11 4.01 -1.26 -4.29 118.16 118.00 1zpq n LYS 37 Ca 0.00 0.17 0.00 0.00 -0.51 0.00 0.00 58.31 57.97 1zpq n LYS 37 Cb 0.00 -0.33 0.00 0.00 -0.51 0.00 0.00 35.03 34.19 1zpq n LYS 37 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 1zpq n SER 38 N -0.84 0.25 -0.01 4.39 7.64 -1.26 -5.11 113.62 118.69 1zpq n SER 38 Ca 0.00 0.04 -0.02 0.00 1.01 0.00 0.00 58.87 59.89 1zpq n SER 38 Cb 0.00 -0.07 -0.01 0.00 -1.01 0.00 0.00 64.21 63.12 1zpq n SER 38 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1zpq n GLN 39 N -2.74 0.15 -2.98 1.43 3.00 -1.26 -4.68 117.38 110.30 1zpq n GLN 39 Ca 0.00 0.06 -0.04 0.00 -0.01 0.00 0.00 57.00 57.00 1zpq n GLN 39 Cb 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 30.24 29.60 1zpq n GLN 39 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.06 176.17 1zpq n ILE 40 N -3.37-10.44 0.19 5.09 -0.00 -1.26 -4.77 119.36 104.80 1zpq n ILE 40 Ca -0.04 0.27 0.12 0.00 -0.00 0.00 0.00 62.75 63.11 1zpq n ILE 40 Cb 0.14 -7.01 0.67 0.00 -0.00 0.00 0.00 39.64 33.44 1zpq n ILE 40 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.55 177.32 1zpq h SER 41 N 1.15 0.00 -0.13 4.38 4.64 -2.01 3.20 113.55 124.78 1zpq h SER 41 Ca -0.02 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.34 1zpq h SER 41 Cb 1.01 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.10 1zpq h SER 41 CO 0.26 0.00 0.18 0.03 -0.87 0.00 0.00 176.83 176.43 1zpq h ARG 42 N 0.00 0.00 0.39 4.77 -0.00 -2.00 1.04 114.38 118.57 1zpq h ARG 42 Ca 0.00 0.00 -0.02 0.00 -0.50 0.00 0.00 59.98 59.46 1zpq h ARG 42 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.03 1zpq h ARG 42 CO 0.00 0.00 -0.19 2.35 0.00 0.00 0.00 179.97 182.13 1zpq h TRP 43 N 0.00 -0.48 -1.00 3.04 7.01 0.56 -3.11 115.95 121.96 1zpq h TRP 43 Ca 0.06 -0.01 0.41 0.00 2.11 0.00 0.00 58.89 61.46 1zpq h TRP 43 Cb 0.43 0.16 -0.17 0.00 -2.10 0.00 0.00 29.16 27.48 1zpq h TRP 43 CO 0.00 -0.30 0.55 1.63 -2.79 0.00 0.00 178.44 177.53 1zpq n LYS 44 N -3.60 -0.06 0.17 2.65 5.02 0.36 0.23 118.16 122.93 1zpq n LYS 44 Ca -0.06 1.32 0.12 0.00 -2.02 0.00 0.00 58.31 57.67 1zpq n LYS 44 Cb 0.20 -2.40 0.13 0.00 -0.02 0.00 0.00 35.03 32.95 1zpq n LYS 44 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1zpq h ARG 45 N 0.00 0.00 0.60 1.97 2.47 -1.51 -0.36 114.38 117.54 1zpq h ARG 45 Ca 0.82 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 59.51 1zpq h ARG 45 Cb 2.23 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 30.55 1zpq h ARG 45 CO -0.72 0.00 -0.29 -0.44 0.56 0.00 0.00 179.97 179.09 1zpq h ASP 46 N 0.00 -0.68 0.00 7.04 5.19 0.30 -3.42 116.42 124.85 1zpq h ASP 46 Ca 0.00 -0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.38 1zpq h ASP 46 Cb 0.97 0.18 0.00 0.00 0.18 0.00 0.00 39.33 40.66 1zpq h ASP 46 CO 0.00 -0.31 -0.99 0.79 -3.12 0.00 0.00 179.24 175.61 1zpq n TRP 47 N -5.33 0.00 -0.25 4.55 7.02 -0.99 -4.57 117.44 117.86 1zpq n TRP 47 Ca -0.11 0.00 -0.00 0.00 -1.02 0.00 0.00 57.50 56.37 1zpq n TRP 47 Cb 0.34 0.00 0.12 0.00 -2.42 0.00 0.00 31.31 29.35 1zpq n TRP 47 CO 0.00 0.00 0.00 0.82 -2.02 0.00 0.00 177.69 176.49 1zpq h ILE 48 N 0.00 0.96 -0.35 -0.99 1.08 -1.27 0.51 117.51 117.45 1zpq h ILE 48 Ca 0.00 -0.25 -0.08 0.00 -0.39 0.00 0.00 64.86 64.13 1zpq h ILE 48 Cb 0.27 0.15 -0.01 0.00 -3.07 0.00 0.00 36.82 34.16 1zpq h ILE 48 CO 0.00 0.14 -0.11 -0.65 -0.69 0.00 0.00 178.15 176.84 1zpq h PRO 49 N 0.74 0.68 -0.57 2.37 0.11 -1.81 0.43 132.00 133.96 1zpq h PRO 49 Ca 0.33 -0.27 0.05 0.00 0.11 0.00 0.00 66.00 66.22 1zpq h PRO 49 Cb 0.23 -0.03 -0.05 0.00 0.11 0.00 0.00 31.00 31.25 1zpq h PRO 49 CO -0.20 0.86 0.30 0.87 -0.21 0.00 0.00 178.00 179.62 1zpq h LYS 50 N 0.47 0.55 -0.08 1.05 1.57 -1.77 -1.94 116.57 116.42 1zpq h LYS 50 Ca 0.08 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 1zpq h LYS 50 Cb 0.62 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.80 1zpq h LYS 50 CO 0.04 0.37 -0.02 0.35 -0.57 0.00 0.00 179.45 179.62 1zpq h PHE 51 N 0.57 0.17 -1.00 -1.35 3.57 0.31 -0.48 116.94 118.72 1zpq h PHE 51 Ca 0.25 -0.04 0.21 0.00 3.53 0.00 0.00 57.97 61.93 1zpq h PHE 51 Cb 0.16 -0.04 -0.11 0.00 2.79 0.00 0.00 35.95 38.74 1zpq h PHE 51 CO -0.09 0.48 0.61 0.77 -2.23 0.00 0.00 178.31 177.84 1zpq h SER 52 N -0.19 0.75 0.84 0.41 0.02 -0.07 0.18 113.55 115.48 1zpq h SER 52 Ca 0.02 0.11 -0.04 0.00 -0.84 0.00 0.00 61.79 61.04 1zpq h SER 52 Cb 0.42 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 62.94 1zpq h SER 52 CO 0.01 0.22 -0.49 -0.03 -1.14 0.00 0.00 176.83 175.40 1zpq h MET 53 N 0.70 -1.18 -0.18 3.45 1.85 -0.40 0.69 114.93 119.85 1zpq h MET 53 Ca 0.60 0.08 0.02 0.00 -0.61 0.00 0.00 59.70 59.79 1zpq h MET 53 Cb 1.01 0.27 -0.03 0.00 0.43 0.00 0.00 31.60 33.29 1zpq h MET 53 CO -0.41 -0.79 -0.14 1.25 -0.40 0.00 0.00 176.91 176.42 1zpq h LEU 54 N -1.23 -0.50 -0.86 3.39 5.85 0.38 1.55 115.31 123.88 1zpq h LEU 54 Ca -0.11 0.07 0.17 0.00 0.84 0.00 0.00 57.88 58.85 1zpq h LEU 54 Cb 0.97 0.21 -0.16 0.00 0.37 0.00 0.00 40.66 42.06 1zpq h LEU 54 CO 0.13 -0.07 -0.23 0.18 -0.34 0.00 0.00 178.44 178.11 1zpq n LEU 55 N -3.47 -0.33 0.39 2.25 4.77 0.47 0.10 117.00 121.18 1zpq n LEU 55 Ca -0.00 1.49 -0.18 0.00 -0.03 0.00 0.00 56.01 57.28 1zpq n LEU 55 Cb 0.07 -0.44 -0.09 0.00 -2.33 0.00 0.00 43.42 40.63 1zpq n LEU 55 CO -0.02 -1.42 0.63 0.00 -1.33 0.00 0.00 177.39 175.25 1zpq h ALA 56 N 1.68 -0.96 -0.76 -1.18 0.00 0.47 1.02 119.26 119.52 1zpq h ALA 56 Ca 0.40 -0.21 0.17 0.00 0.00 0.00 0.00 54.91 55.28 1zpq h ALA 56 Cb 0.62 0.37 -0.12 0.00 0.00 0.00 0.00 17.79 18.66 1zpq h ALA 56 CO -0.89 -1.03 0.12 0.28 0.00 0.00 0.00 179.25 177.74 1zpq h VAL 57 N -0.98 0.42 0.00 0.00 2.07 0.47 1.04 116.25 119.27 1zpq h VAL 57 Ca -0.10 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.35 1zpq h VAL 57 Cb 0.74 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1zpq h VAL 57 CO 0.16 0.04 0.00 0.18 0.02 0.00 0.00 177.57 177.97 1zpq n LEU 58 N -5.23 0.00 -3.77 2.57 4.77 0.29 -4.83 117.00 110.80 1zpq n LEU 58 Ca 0.15 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.84 1zpq n LEU 58 Cb 0.50 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.61 1zpq n LEU 58 CO 0.09 0.00 0.08 -0.62 -1.33 0.00 0.00 177.39 175.61 1zpq n GLU 59 N -0.89 -5.19 -2.63 3.23 1.02 0.36 -4.86 120.64 111.68 1zpq n GLU 59 Ca 0.14 0.61 -0.41 0.00 -0.02 0.00 0.00 57.16 57.47 1zpq n GLU 59 Cb 0.06 -5.47 -0.04 0.00 -0.02 0.00 0.00 31.44 25.97 1zpq n GLU 59 CO 0.00 0.00 0.00 -0.46 1.18 0.00 0.00 177.13 177.85 1zpq s TRP 60 N -3.23 3.70 0.00 -0.32 -0.11 0.35 -4.92 118.94 114.40 1zpq s TRP 60 Ca 0.60 1.69 0.00 0.00 1.22 0.00 0.00 56.10 59.61 1zpq s TRP 60 Cb -0.30 -3.16 0.00 0.00 -1.50 0.00 0.00 33.47 28.51 1zpq s TRP 60 CO 0.74 -0.19 0.00 0.41 -4.62 0.00 0.00 176.95 173.29 1zpq n GLY 61 N 2.31 0.15 0.00 5.86 0.00 -1.26 -4.72 105.19 107.52 1zpq n GLY 61 Ca 0.03 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1zpq n GLY 61 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1zpq n VAL 62 N 0.00 0.00 -2.07 1.61 0.31 -1.26 -5.05 118.33 111.87 1zpq n VAL 62 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.24 1zpq n VAL 62 Cb 0.00 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 32.94 1zpq n VAL 62 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 1zpq n VAL 63 N -0.38 -1.45 -1.89 2.52 3.14 -1.26 -4.91 118.33 114.09 1zpq n VAL 63 Ca 0.00 0.16 -0.41 0.00 -2.96 0.00 0.00 64.34 61.12 1zpq n VAL 63 Cb 0.00 -1.66 -0.02 0.00 -1.06 0.00 0.00 33.84 31.11 1zpq n VAL 63 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1zpq s ASP 64 N -0.62 6.50 0.20 6.55 -1.08 -1.26 -4.83 116.67 122.13 1zpq s ASP 64 Ca 0.09 2.84 -0.12 0.00 -0.52 0.00 0.00 52.55 54.85 1zpq s ASP 64 Cb -0.01 -2.64 0.23 0.00 -1.46 0.00 0.00 42.92 39.05 1zpq s ASP 64 CO 0.21 -0.80 1.72 -0.78 0.52 0.00 0.00 175.17 176.03 1zpq h ASP 65 N 4.55 0.03 0.78 -0.34 1.82 -2.00 0.15 116.42 121.41 1zpq h ASP 65 Ca -0.47 0.09 0.00 0.00 -0.39 0.00 0.00 57.03 56.26 1zpq h ASP 65 Cb 1.22 0.12 0.00 0.00 0.68 0.00 0.00 39.33 41.35 1zpq h ASP 65 CO 0.76 0.04 -0.30 -0.90 -1.61 0.00 0.00 179.24 177.23 1zpq n ASP 66 N -5.10 0.36 -0.05 2.28 3.85 -1.26 -2.93 116.55 113.70 1zpq n ASP 66 Ca 0.07 0.12 -0.09 0.00 -0.71 0.00 0.00 54.79 54.17 1zpq n ASP 66 Cb 0.27 -0.10 0.06 0.00 -1.35 0.00 0.00 41.12 40.00 1zpq n ASP 66 CO 0.00 0.00 0.00 -0.03 -1.01 0.00 0.00 177.20 176.16 1zpq h MET 67 N 0.00 0.70 0.48 0.11 4.05 -1.53 -3.08 114.93 115.66 1zpq h MET 67 Ca 0.00 -0.36 -0.01 0.00 -0.28 0.00 0.00 59.70 59.05 1zpq h MET 67 Cb 0.54 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.33 1zpq h MET 67 CO 0.00 0.97 -0.38 0.00 0.23 0.00 0.00 176.91 177.73 1zpq h ALA 68 N 0.98 -0.89 -1.02 0.39 0.00 -0.65 -1.86 119.26 116.22 1zpq h ALA 68 Ca 0.05 -0.16 0.29 0.00 0.00 0.00 0.00 54.91 55.09 1zpq h ALA 68 Cb 0.93 0.52 -0.13 0.00 0.00 0.00 0.00 17.79 19.11 1zpq h ALA 68 CO 0.08 -1.03 0.60 -0.09 0.00 0.00 0.00 179.25 178.82 1zpq h ARG 69 N -0.85 0.43 -0.04 0.00 1.12 -1.62 0.51 114.38 113.93 1zpq h ARG 69 Ca -0.05 -0.03 -0.05 0.00 -1.11 0.00 0.00 59.98 58.75 1zpq h ARG 69 Cb 0.73 -0.10 0.00 0.00 -0.01 0.00 0.00 29.97 30.60 1zpq h ARG 69 CO -0.01 0.29 -0.15 -0.07 -3.11 0.00 0.00 179.97 176.91 1zpq h LEU 70 N 0.44 0.20 -0.35 3.80 3.38 -1.41 0.09 115.31 121.47 1zpq h LEU 70 Ca 0.68 -0.64 0.04 0.00 0.09 0.00 0.00 57.88 58.06 1zpq h LEU 70 Cb 1.48 -0.06 -0.07 0.00 0.09 0.00 0.00 40.66 42.11 1zpq h LEU 70 CO -0.51 0.81 -0.45 0.00 0.09 0.00 0.00 178.44 178.38 1zpq h ALA 71 N 0.40 -0.69 -0.81 1.53 0.00 -0.21 0.24 119.26 119.73 1zpq h ALA 71 Ca -0.01 0.00 0.20 0.00 0.00 0.00 0.00 54.91 55.10 1zpq h ALA 71 Cb 0.80 1.06 -0.13 0.00 0.00 0.00 0.00 17.79 19.52 1zpq h ALA 71 CO 0.03 -0.91 0.14 0.00 0.00 0.00 0.00 179.25 178.51 1zpq h ARG 72 N -0.31 0.17 -0.22 0.00 3.08 0.08 1.17 114.38 118.36 1zpq h ARG 72 Ca 0.06 -0.01 -0.08 0.00 0.07 0.00 0.00 59.98 60.02 1zpq h ARG 72 Cb 0.48 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.48 1zpq h ARG 72 CO -0.50 0.12 -0.18 1.96 -1.07 0.00 0.00 179.97 180.30 1zpq h GLN 73 N 0.18 0.51 0.50 0.04 1.08 0.29 0.50 115.11 118.21 1zpq h GLN 73 Ca 0.48 -0.26 -0.02 0.00 -1.45 0.00 0.00 58.65 57.40 1zpq h GLN 73 Cb 0.90 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.34 1zpq h GLN 73 CO -0.64 0.83 -0.24 0.28 -0.95 0.00 0.00 178.83 178.11 1zpq h VAL 74 N 0.20 0.44 -1.24 -0.54 2.07 0.58 0.38 116.25 118.14 1zpq h VAL 74 Ca 0.04 -0.30 0.37 0.00 0.82 0.00 0.00 66.70 67.62 1zpq h VAL 74 Cb 0.72 0.57 -0.10 0.00 -1.52 0.00 0.00 31.29 30.96 1zpq h VAL 74 CO 0.05 0.05 0.83 0.00 0.02 0.00 0.00 177.57 178.51 1zpq h ALA 75 N -0.50 2.70 0.09 1.67 0.00 0.15 0.71 119.26 124.09 1zpq h ALA 75 Ca -0.07 0.05 -0.27 0.00 0.00 0.00 0.00 54.91 54.62 1zpq h ALA 75 Cb 0.60 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1zpq h ALA 75 CO 0.11 -1.19 -1.27 0.00 0.00 0.00 0.00 179.25 176.90 1zpq h ALA 76 N 1.53 0.21 0.00 0.00 0.00 0.94 -3.04 119.26 118.90 1zpq h ALA 76 Ca 0.70 -0.96 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 1zpq h ALA 76 Cb 2.21 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 20.04 1zpq h ALA 76 CO -0.27 1.09 -0.18 0.82 0.00 0.00 0.00 179.25 180.71 1zpq h ILE 77 N 0.05 0.79 -2.49 0.00 2.04 0.45 -0.84 117.51 117.51 1zpq h ILE 77 Ca -0.14 -0.70 -0.65 0.00 1.00 0.00 0.00 64.86 64.37 1zpq h ILE 77 Cb 1.94 1.42 -0.39 0.00 -0.74 0.00 0.00 36.82 39.05 1zpq h ILE 77 CO 0.17 0.18 -0.31 0.18 0.00 0.00 0.00 178.15 178.37 1zpq n LEU 78 N -3.84 4.21 0.00 1.44 4.77 0.12 -3.84 117.00 119.87 1zpq n LEU 78 Ca -0.02 -5.36 0.00 0.00 -0.03 0.00 0.00 56.01 50.60 1zpq n LEU 78 Cb 0.28 -0.82 0.00 0.00 -2.33 0.00 0.00 43.42 40.55 1zpq n LEU 78 CO 0.33 1.93 0.00 0.41 -1.33 0.00 0.00 177.39 178.73 1zpq n THR 79 N 1.13 0.00 -0.53 -5.08 -1.04 -1.22 -4.76 114.28 102.79 1zpq n THR 79 Ca 0.28 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.29 1zpq n THR 79 Cb 0.39 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.90 1zpq n THR 79 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23