#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zpq n ARG 7 N 0.00 -1.39 -0.26 1.97 1.74 -1.26 -4.65 116.66 112.80 1zpq n ARG 7 Ca 0.00 0.15 0.11 0.00 -0.77 0.00 0.00 57.85 57.34 1zpq n ARG 7 Cb 0.00 -4.28 0.25 0.00 -1.02 0.00 0.00 32.46 27.40 1zpq n ARG 7 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1zpq n ASN 8 N 0.28 3.57 -0.31 0.55 6.94 -1.26 -4.26 115.26 120.77 1zpq n ASN 8 Ca -0.03 -1.98 0.15 0.00 -0.02 0.00 0.00 54.58 52.70 1zpq n ASN 8 Cb 0.17 -0.34 0.33 0.00 -2.36 0.00 0.00 39.78 37.58 1zpq n ASN 8 CO 0.00 0.00 0.00 -0.33 -1.03 0.00 0.00 177.26 175.90 1zpq h GLU 9 N 4.05 0.40 -0.80 -3.83 4.39 -1.99 -2.56 114.58 114.23 1zpq h GLU 9 Ca 0.00 -0.02 0.14 0.00 0.34 0.00 0.00 59.36 59.82 1zpq h GLU 9 Cb 0.94 -0.09 -0.09 0.00 -0.10 0.00 0.00 28.75 29.41 1zpq h GLU 9 CO 0.00 0.26 0.38 0.00 -1.16 0.00 0.00 179.01 178.50 1zpq h ALA 10 N 1.73 1.17 -0.54 3.43 0.00 -1.80 -2.23 119.26 121.02 1zpq h ALA 10 Ca 0.59 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.57 1zpq h ALA 10 Cb 1.14 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 1zpq h ALA 10 CO -0.54 -0.12 0.28 1.25 0.00 0.00 0.00 179.25 180.12 1zpq h LEU 11 N 0.56 0.67 -0.85 0.00 5.85 -1.76 -0.19 115.31 119.59 1zpq h LEU 11 Ca 0.43 -0.05 -0.08 0.00 0.84 0.00 0.00 57.88 59.02 1zpq h LEU 11 Cb 0.61 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 1zpq h LEU 11 CO -0.37 0.56 -0.40 -0.09 -0.34 0.00 0.00 178.44 177.80 1zpq h ARG 12 N 0.75 0.00 0.12 1.25 2.43 -1.25 -2.14 114.38 115.56 1zpq h ARG 12 Ca 0.19 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.36 1zpq h ARG 12 Cb 0.05 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 1zpq h ARG 12 CO -0.03 0.40 -0.06 0.82 -1.51 0.00 0.00 179.97 179.59 1zpq h ILE 13 N 0.00 0.50 -1.11 1.20 1.08 -0.51 -2.68 117.51 115.98 1zpq h ILE 13 Ca -0.00 -1.16 0.31 0.00 -0.39 0.00 0.00 64.86 63.61 1zpq h ILE 13 Cb 0.95 0.90 -0.10 0.00 -3.07 0.00 0.00 36.82 35.51 1zpq h ILE 13 CO 0.05 0.15 0.73 -0.08 -0.69 0.00 0.00 178.15 178.31 1zpq h GLU 14 N -0.99 0.28 -0.27 2.37 4.81 -1.29 0.37 114.58 119.85 1zpq h GLU 14 Ca -0.02 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.16 1zpq h GLU 14 Cb 0.38 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 1zpq h GLU 14 CO 0.03 0.19 0.02 1.03 -0.73 0.00 0.00 179.01 179.54 1zpq h SER 15 N 0.29 0.46 1.13 1.04 0.87 -1.39 0.24 113.55 116.19 1zpq h SER 15 Ca 0.64 -0.29 -0.08 0.00 -1.23 0.00 0.00 61.79 60.83 1zpq h SER 15 Cb 1.81 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 63.63 1zpq h SER 15 CO -0.30 0.64 -0.39 0.00 -0.53 0.00 0.00 176.83 176.25 1zpq h ALA 16 N 0.84 0.87 0.01 6.23 0.00 -0.06 -1.35 119.26 125.80 1zpq h ALA 16 Ca 0.08 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 1zpq h ALA 16 Cb 0.39 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1zpq h ALA 16 CO 0.01 0.49 -0.00 -0.07 0.00 0.00 0.00 179.25 179.68 1zpq h LEU 17 N 0.00 -0.01 -1.83 0.00 3.38 -0.42 -1.80 115.31 114.63 1zpq h LEU 17 Ca -0.00 -0.80 0.07 0.00 0.09 0.00 0.00 57.88 57.23 1zpq h LEU 17 Cb 1.06 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.79 1zpq h LEU 17 CO 0.05 0.82 0.26 -0.07 0.09 0.00 0.00 178.44 179.60 1zpq h LEU 18 N -0.87 0.18 -0.15 1.67 3.38 -0.51 -1.11 115.31 117.90 1zpq h LEU 18 Ca -0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1zpq h LEU 18 Cb 0.81 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.52 1zpq h LEU 18 CO 0.00 0.11 -0.11 -1.13 0.09 0.00 0.00 178.44 177.40 1zpq h ASN 19 N 0.20 0.35 -0.90 -0.43 -0.73 -1.00 -2.52 115.58 110.56 1zpq h ASN 19 Ca 0.17 -0.45 0.00 0.00 1.87 0.00 0.00 56.30 57.89 1zpq h ASN 19 Cb 0.43 -0.10 -0.04 0.00 0.27 0.00 0.00 38.32 38.88 1zpq h ASN 19 CO -0.03 0.73 0.58 0.11 -0.37 0.00 0.00 177.43 178.45 1zpq h LYS 20 N -0.02 1.19 0.17 6.67 1.57 -0.44 -0.59 116.57 125.12 1zpq h LYS 20 Ca 0.03 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1zpq h LYS 20 Cb 0.62 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 1zpq h LYS 20 CO 0.03 0.80 -0.21 0.82 -0.57 0.00 0.00 179.45 180.32 1zpq h ILE 21 N 1.22 0.00 -0.73 1.86 2.04 -1.20 -1.34 117.51 119.35 1zpq h ILE 21 Ca 0.33 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.35 1zpq h ILE 21 Cb -0.11 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 35.85 1zpq h ILE 21 CO -0.07 0.00 0.05 0.00 0.00 0.00 0.00 178.15 178.13 1zpq h ALA 22 N -1.33 0.81 0.00 1.87 0.00 -1.35 0.18 119.26 119.44 1zpq h ALA 22 Ca -0.02 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1zpq h ALA 22 Cb 0.35 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1zpq h ALA 22 CO -0.05 -0.41 0.00 1.98 0.00 0.00 0.00 179.25 180.77 1zpq h MET 23 N 0.14 0.00 0.00 0.00 -1.53 -0.85 -3.09 114.93 109.60 1zpq h MET 23 Ca 0.41 0.00 -0.12 0.00 -3.44 0.00 0.00 59.70 56.55 1zpq h MET 23 Cb 0.71 0.00 -0.02 0.00 -0.55 0.00 0.00 31.60 31.74 1zpq h MET 23 CO -0.61 0.00 -1.61 1.28 0.14 0.00 0.00 176.91 176.11 1zpq n LEU 24 N -2.94 0.00 0.00 3.39 7.99 -0.03 -5.07 117.00 120.34 1zpq n LEU 24 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.98 1zpq n LEU 24 Cb 0.13 0.16 0.00 0.00 -0.11 0.00 0.00 43.42 43.60 1zpq n LEU 24 CO 0.20 0.16 0.00 0.61 -1.51 0.00 0.00 177.39 176.86 1zpq n GLY 25 N 2.24 3.64 0.38 -0.72 0.00 0.42 -4.62 105.19 106.53 1zpq n GLY 25 Ca -0.11 -0.71 0.01 0.00 0.00 0.00 0.00 46.02 45.20 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 0.13 0.00 2.61 -1.04 -1.26 -1.61 114.28 113.12 1zpq n THR 26 Ca 0.00 -0.08 0.00 0.00 -2.04 0.00 0.00 64.05 61.93 1zpq n THR 26 Cb 0.00 -0.27 0.00 0.00 -1.82 0.00 0.00 70.33 68.24 1zpq n THR 26 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1zpq n GLU 27 N -0.13 0.00 0.20 -2.82 2.13 -1.26 -4.44 120.64 114.33 1zpq n GLU 27 Ca 0.02 0.00 0.18 0.00 0.66 0.00 0.00 57.16 58.02 1zpq n GLU 27 Cb 0.20 -0.35 0.82 0.00 0.27 0.00 0.00 31.44 32.38 1zpq n GLU 27 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 1zpq h LYS 28 N 0.00 0.00 0.05 5.31 1.57 -1.84 -0.73 116.57 120.94 1zpq h LYS 28 Ca 0.00 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.45 1zpq h LYS 28 Cb 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 1zpq h LYS 28 CO 0.00 0.00 -1.82 2.41 -0.57 0.00 0.00 179.45 179.47 1zpq n THR 29 N -3.49 1.63 0.37 -0.16 -1.04 -0.63 -2.85 114.28 108.11 1zpq n THR 29 Ca 0.03 -0.38 0.14 0.00 -2.04 0.00 0.00 64.05 61.80 1zpq n THR 29 Cb 0.43 -1.84 0.54 0.00 -1.82 0.00 0.00 70.33 67.64 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 -0.27 1.00 0.00 2.41 0.00 -1.45 -1.11 119.26 119.85 1zpq h ALA 30 Ca -0.44 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.11 1zpq h ALA 30 Cb 1.70 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 19.42 1zpq h ALA 30 CO -0.10 0.00 -2.28 -0.85 0.00 0.00 0.00 179.25 176.03 1zpq n GLU 31 N -2.59 0.68 -0.35 0.00 -0.00 -0.40 -0.32 120.64 117.65 1zpq n GLU 31 Ca 0.02 0.06 0.10 0.00 -0.00 0.00 0.00 57.16 57.34 1zpq n GLU 31 Cb 0.29 -1.57 0.28 0.00 -0.00 0.00 0.00 31.44 30.44 1zpq n GLU 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1zpq h ALA 32 N 0.91 1.58 0.09 -1.84 0.00 -1.20 -3.03 119.26 115.77 1zpq h ALA 32 Ca -0.51 0.06 -0.36 0.00 0.00 0.00 0.00 54.91 54.10 1zpq h ALA 32 Cb 2.18 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 19.81 1zpq h ALA 32 CO 0.03 0.06 -2.05 1.33 0.00 0.00 0.00 179.25 178.62 1zpq n VAL 33 N -4.72 1.70 0.00 0.00 0.24 -0.50 -5.08 118.33 109.98 1zpq n VAL 33 Ca 0.21 -0.59 0.00 0.00 -2.04 0.00 0.00 64.34 61.93 1zpq n VAL 33 Cb 0.47 -1.70 0.00 0.00 -1.47 0.00 0.00 33.84 31.14 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 1.99 2.90 0.00 7.63 0.00 0.56 -5.10 105.19 113.17 1zpq n GLY 34 Ca -0.35 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.30 1zpq n GLY 34 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1zpq n VAL 35 N 1.39 0.00 -4.56 1.61 0.31 -0.81 -4.84 118.33 111.42 1zpq n VAL 35 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.03 1zpq n VAL 35 Cb 0.00 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 32.85 1zpq n VAL 35 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1zpq s ASP 36 N 0.00 4.16 0.19 4.52 1.01 -1.26 -4.12 116.67 121.16 1zpq s ASP 36 Ca 0.00 -1.48 -0.20 0.00 0.71 0.00 0.00 52.55 51.58 1zpq s ASP 36 Cb 0.00 0.18 0.14 0.00 1.01 0.00 0.00 42.92 44.25 1zpq s ASP 36 CO 0.00 -0.75 1.59 0.50 0.21 0.00 0.00 175.17 176.72 1zpq h LYS 37 N 1.39 -0.14 0.00 8.23 1.63 -1.97 0.53 116.57 126.24 1zpq h LYS 37 Ca -0.43 0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.38 1zpq h LYS 37 Cb 1.29 0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 32.95 1zpq h LYS 37 CO 0.73 -0.10 -0.02 1.03 -3.45 0.00 0.00 179.45 177.65 1zpq h SER 38 N -0.15 0.00 0.46 4.20 0.87 -2.04 -2.40 113.55 114.50 1zpq h SER 38 Ca 0.24 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.80 1zpq h SER 38 Cb 0.55 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.51 1zpq h SER 38 CO -0.68 0.02 -1.34 0.00 -0.53 0.00 0.00 176.83 174.29 1zpq n GLN 39 N -3.13 0.51 0.26 2.24 1.13 -0.93 -4.28 117.38 113.18 1zpq n GLN 39 Ca -0.00 -0.03 0.11 0.00 -1.94 0.00 0.00 57.00 55.15 1zpq n GLN 39 Cb 0.28 -1.64 0.72 0.00 0.11 0.00 0.00 30.24 29.71 1zpq n GLN 39 CO 0.00 0.00 0.00 0.97 -1.44 0.00 0.00 177.06 176.59 1zpq h ILE 40 N 0.00 0.70 0.16 5.09 2.10 0.60 -2.02 117.51 124.13 1zpq h ILE 40 Ca 0.00 -0.41 -0.27 0.00 1.08 0.00 0.00 64.86 65.27 1zpq h ILE 40 Cb 0.90 1.25 0.01 0.00 -1.09 0.00 0.00 36.82 37.89 1zpq h ILE 40 CO 0.00 0.10 -1.27 0.28 -1.08 0.00 0.00 178.15 176.18 1zpq h SER 41 N 0.00 0.52 0.21 2.19 0.02 -1.74 -3.29 113.55 111.46 1zpq h SER 41 Ca -0.00 -0.91 -0.01 0.00 -0.84 0.00 0.00 61.79 60.03 1zpq h SER 41 Cb 0.24 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.61 1zpq h SER 41 CO 0.01 1.58 -0.04 0.03 -1.14 0.00 0.00 176.83 177.28 1zpq h ARG 42 N -0.20 0.00 0.15 3.45 3.08 -1.68 -2.56 114.38 116.61 1zpq h ARG 42 Ca -0.25 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.79 1zpq h ARG 42 Cb 1.84 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.89 1zpq h ARG 42 CO 0.14 0.04 -0.07 2.35 -1.07 0.00 0.00 179.97 181.36 1zpq h TRP 43 N 0.00 -0.18 -0.85 3.04 2.91 -1.46 -2.31 115.95 117.10 1zpq h TRP 43 Ca -0.00 -0.00 0.19 0.00 1.13 0.00 0.00 58.89 60.21 1zpq h TRP 43 Cb 0.16 0.06 -0.15 0.00 -0.51 0.00 0.00 29.16 28.71 1zpq h TRP 43 CO 0.00 0.12 -0.07 -0.22 -1.03 0.00 0.00 178.44 177.24 1zpq h LYS 44 N -0.49 0.04 0.07 2.65 3.64 -1.52 -2.94 116.57 118.03 1zpq h LYS 44 Ca -0.02 -0.00 -0.34 0.00 -1.27 0.00 0.00 60.65 59.02 1zpq h LYS 44 Cb 0.38 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.16 1zpq h LYS 44 CO 0.03 0.03 -1.94 -2.13 -2.27 0.00 0.00 179.45 173.17 1zpq n ARG 45 N -5.46 0.71 -0.08 1.90 0.00 -1.23 -3.81 116.66 108.68 1zpq n ARG 45 Ca 0.15 0.26 -0.21 0.00 -0.00 0.00 0.00 57.85 58.05 1zpq n ARG 45 Cb 0.52 -1.72 -0.12 0.00 0.00 0.00 0.00 32.46 31.14 1zpq n ARG 45 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 1zpq n ASP 46 N -3.29 2.02 0.07 6.15 5.75 -0.87 -4.23 116.55 122.15 1zpq n ASP 46 Ca -0.28 0.06 -0.16 0.00 -0.01 0.00 0.00 54.79 54.41 1zpq n ASP 46 Cb 1.05 -0.64 -0.10 0.00 -1.03 0.00 0.00 41.12 40.40 1zpq n ASP 46 CO 0.00 0.00 0.00 -0.50 -0.11 0.00 0.00 177.20 176.59 1zpq h TRP 47 N -0.15 -1.53 0.26 2.11 -0.00 -1.76 -2.43 115.95 112.45 1zpq h TRP 47 Ca -0.53 0.05 0.01 0.00 -0.00 0.00 0.00 58.89 58.42 1zpq h TRP 47 Cb 1.87 0.66 -0.04 0.00 -0.00 0.00 0.00 29.16 31.66 1zpq h TRP 47 CO 0.04 -0.57 -0.43 0.82 -0.00 0.00 0.00 178.44 178.30 1zpq h ILE 48 N -0.68 0.14 -0.65 1.49 1.08 -1.61 -0.86 117.51 116.42 1zpq h ILE 48 Ca 0.01 0.00 0.13 0.00 -0.39 0.00 0.00 64.86 64.60 1zpq h ILE 48 Cb 0.72 0.14 -0.12 0.00 -3.07 0.00 0.00 36.82 34.48 1zpq h ILE 48 CO -0.33 0.00 -0.22 -0.65 -0.69 0.00 0.00 178.15 176.26 1zpq h PRO 49 N -0.76 -0.05 -0.21 2.37 0.11 -1.71 0.11 132.00 131.85 1zpq h PRO 49 Ca -0.01 0.00 0.04 0.00 0.11 0.00 0.00 66.00 66.14 1zpq h PRO 49 Cb 0.73 0.01 -0.03 0.00 0.11 0.00 0.00 31.00 31.82 1zpq h PRO 49 CO -0.16 -0.03 -0.01 -0.22 -0.21 0.00 0.00 178.00 177.36 1zpq h LYS 50 N -0.05 0.05 -0.56 1.05 3.64 -1.25 0.41 116.57 119.87 1zpq h LYS 50 Ca 0.30 -0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.76 1zpq h LYS 50 Cb 0.52 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.29 1zpq h LYS 50 CO -0.69 0.04 0.38 0.35 -2.27 0.00 0.00 179.45 177.25 1zpq h PHE 51 N 0.05 0.40 -0.22 1.91 3.57 0.03 0.22 116.94 122.90 1zpq h PHE 51 Ca 0.10 0.01 -0.15 0.00 3.53 0.00 0.00 57.97 61.46 1zpq h PHE 51 Cb 0.13 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 1zpq h PHE 51 CO -0.19 0.20 -0.49 0.77 -2.23 0.00 0.00 178.31 176.37 1zpq h SER 52 N 0.38 0.65 -0.17 0.41 0.02 0.34 0.13 113.55 115.32 1zpq h SER 52 Ca 0.26 -0.33 -0.17 0.00 -0.84 0.00 0.00 61.79 60.71 1zpq h SER 52 Cb 0.50 -0.19 0.01 0.00 0.14 0.00 0.00 62.40 62.86 1zpq h SER 52 CO -0.07 1.03 -0.54 -0.03 -1.14 0.00 0.00 176.83 176.09 1zpq h MET 53 N 0.47 0.66 0.24 3.45 1.85 0.84 0.31 114.93 122.75 1zpq h MET 53 Ca 0.02 -0.49 -0.01 0.00 -0.61 0.00 0.00 59.70 58.61 1zpq h MET 53 Cb 1.03 0.09 0.00 0.00 0.43 0.00 0.00 31.60 33.14 1zpq h MET 53 CO 0.10 1.11 -0.12 1.25 -0.40 0.00 0.00 176.91 178.85 1zpq h LEU 54 N 0.34 -0.28 -1.93 3.39 5.85 -0.57 0.16 115.31 122.28 1zpq h LEU 54 Ca -0.02 0.01 0.13 0.00 0.84 0.00 0.00 57.88 58.84 1zpq h LEU 54 Cb 1.17 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.25 1zpq h LEU 54 CO 0.12 -0.20 0.35 -0.07 -0.34 0.00 0.00 178.44 178.30 1zpq h LEU 55 N -0.32 0.07 0.00 2.25 4.07 -0.50 0.38 115.31 121.26 1zpq h LEU 55 Ca -0.03 0.00 -0.10 0.00 0.08 0.00 0.00 57.88 57.83 1zpq h LEU 55 Cb 0.25 -0.01 -0.02 0.00 1.08 0.00 0.00 40.66 41.96 1zpq h LEU 55 CO 0.05 0.04 -0.83 0.00 -1.08 0.00 0.00 178.44 176.62 1zpq h ALA 56 N 1.76 0.67 0.10 1.53 0.00 0.14 0.20 119.26 123.66 1zpq h ALA 56 Ca 0.23 -0.49 -0.13 0.00 0.00 0.00 0.00 54.91 54.52 1zpq h ALA 56 Cb 0.82 0.06 0.02 0.00 0.00 0.00 0.00 17.79 18.69 1zpq h ALA 56 CO -0.02 0.59 -0.59 0.28 0.00 0.00 0.00 179.25 179.52 1zpq h VAL 57 N 0.00 1.58 0.00 0.00 2.07 -0.36 -0.39 116.25 119.16 1zpq h VAL 57 Ca -0.06 -2.46 0.00 0.00 0.82 0.00 0.00 66.70 65.00 1zpq h VAL 57 Cb 1.37 3.22 0.00 0.00 -1.52 0.00 0.00 31.29 34.36 1zpq h VAL 57 CO 0.05 0.68 0.00 0.18 0.02 0.00 0.00 177.57 178.50 1zpq n LEU 58 N -4.26 0.09 0.02 2.57 4.77 0.13 -0.62 117.00 119.71 1zpq n LEU 58 Ca -0.13 0.53 0.05 0.00 -0.03 0.00 0.00 56.01 56.43 1zpq n LEU 58 Cb 0.72 -0.52 -0.09 0.00 -2.33 0.00 0.00 43.42 41.20 1zpq n LEU 58 CO 0.45 -0.38 -0.43 -0.62 -1.33 0.00 0.00 177.39 175.07 1zpq n GLU 59 N -1.61 0.63 -1.70 3.23 -0.58 0.06 -4.92 120.64 115.76 1zpq n GLU 59 Ca 0.02 0.06 -0.55 0.00 -0.42 0.00 0.00 57.16 56.27 1zpq n GLU 59 Cb 0.13 -1.70 -0.07 0.00 -0.57 0.00 0.00 31.44 29.23 1zpq n GLU 59 CO 0.00 0.00 0.00 1.87 -0.48 0.00 0.00 177.13 178.52 1zpq n TRP 60 N -2.65 2.07 0.00 -0.32 -0.00 0.21 -4.89 117.44 111.86 1zpq n TRP 60 Ca -0.08 0.43 0.00 0.00 -0.00 0.00 0.00 57.50 57.84 1zpq n TRP 60 Cb 0.73 -2.49 0.00 0.00 -0.00 0.00 0.00 31.31 29.55 1zpq n TRP 60 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1zpq n GLY 61 N 4.10 0.00 3.58 5.87 0.00 -1.26 -4.77 105.19 112.71 1zpq n GLY 61 Ca 0.25 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.93 -1.72 -1.71 1.61 0.31 -1.26 -4.56 118.33 110.07 1zpq n VAL 62 Ca 0.00 -0.16 -0.34 0.00 -0.01 0.00 0.00 64.34 63.83 1zpq n VAL 62 Cb 0.00 -1.50 0.06 0.00 -0.91 0.00 0.00 33.84 31.48 1zpq n VAL 62 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1zpq s VAL 63 N -3.29 2.92 0.00 2.52 1.01 -1.26 -4.36 120.40 117.93 1zpq s VAL 63 Ca 0.13 0.45 0.00 0.00 0.00 0.00 0.00 61.98 62.56 1zpq s VAL 63 Cb -0.07 -3.00 0.00 0.00 0.00 0.00 0.00 36.38 33.31 1zpq s VAL 63 CO 0.55 -0.24 0.00 0.47 0.00 0.00 0.00 175.10 175.88 1zpq n ASP 64 N -2.39 0.00 0.17 3.32 9.92 -1.26 0.12 116.55 126.44 1zpq n ASP 64 Ca 0.12 0.00 0.02 0.00 -0.53 0.00 0.00 54.79 54.39 1zpq n ASP 64 Cb 0.51 0.00 0.32 0.00 -0.64 0.00 0.00 41.12 41.32 1zpq n ASP 64 CO 0.00 0.00 0.00 -0.78 0.13 0.00 0.00 177.20 176.55 1zpq h ASP 65 N 0.00 0.03 -0.24 -2.24 -0.00 -1.98 0.52 116.42 112.50 1zpq h ASP 65 Ca 0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 57.03 57.01 1zpq h ASP 65 Cb 0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 39.33 39.31 1zpq h ASP 65 CO 0.00 0.42 0.12 0.44 -0.00 0.00 0.00 179.24 180.22 1zpq h ASP 66 N 0.02 0.31 0.41 2.28 3.45 0.68 -0.87 116.42 122.70 1zpq h ASP 66 Ca -0.00 -0.11 0.00 0.00 0.43 0.00 0.00 57.03 57.35 1zpq h ASP 66 Cb 0.72 -0.08 0.00 0.00 -0.56 0.00 0.00 39.33 39.41 1zpq h ASP 66 CO 0.05 0.33 0.00 -0.03 -1.57 0.00 0.00 179.24 178.03 1zpq h MET 67 N 0.26 0.00 0.00 3.56 4.05 0.12 -2.93 114.93 119.99 1zpq h MET 67 Ca 0.08 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.47 1zpq h MET 67 Cb 0.10 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 30.90 1zpq h MET 67 CO -0.01 0.00 -0.41 0.00 0.23 0.00 0.00 176.91 176.72 1zpq h ALA 68 N 2.04 0.03 -1.02 0.39 0.00 0.72 -2.53 119.26 118.91 1zpq h ALA 68 Ca 0.00 -0.44 0.27 0.00 0.00 0.00 0.00 54.91 54.74 1zpq h ALA 68 Cb 0.20 0.35 -0.07 0.00 0.00 0.00 0.00 17.79 18.27 1zpq h ALA 68 CO 0.00 0.34 0.69 0.07 0.00 0.00 0.00 179.25 180.35 1zpq h ARG 69 N -1.00 0.21 0.16 0.00 0.11 -1.21 0.24 114.38 112.88 1zpq h ARG 69 Ca -0.04 -0.01 -0.01 0.00 0.10 0.00 0.00 59.98 60.02 1zpq h ARG 69 Cb 0.49 -0.05 0.00 0.00 1.11 0.00 0.00 29.97 31.52 1zpq h ARG 69 CO -0.03 0.14 -0.08 -0.07 0.10 0.00 0.00 179.97 180.04 1zpq h LEU 70 N 0.22 -0.18 -1.96 0.08 3.38 -1.65 -2.71 115.31 112.49 1zpq h LEU 70 Ca 0.53 0.01 0.31 0.00 0.09 0.00 0.00 57.88 58.81 1zpq h LEU 70 Cb 1.67 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 42.42 1zpq h LEU 70 CO -0.14 -0.09 0.80 0.00 0.09 0.00 0.00 178.44 179.09 1zpq h ALA 71 N -1.83 2.98 0.41 1.53 0.00 -0.93 0.30 119.26 121.73 1zpq h ALA 71 Ca -0.02 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1zpq h ALA 71 Cb 0.16 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1zpq h ALA 71 CO 0.04 -1.34 -0.20 0.00 0.00 0.00 0.00 179.25 177.75 1zpq h ARG 72 N 0.00 -0.53 0.00 0.00 3.08 -0.57 -3.01 114.38 113.35 1zpq h ARG 72 Ca 0.50 0.04 -0.13 0.00 0.07 0.00 0.00 59.98 60.45 1zpq h ARG 72 Cb 2.09 0.12 -0.02 0.00 0.08 0.00 0.00 29.97 32.24 1zpq h ARG 72 CO -0.01 -0.36 -0.64 1.96 -1.07 0.00 0.00 179.97 179.86 1zpq h GLN 73 N -0.74 0.00 -0.85 0.04 1.08 -0.93 0.75 115.11 114.46 1zpq h GLN 73 Ca -0.06 0.00 0.07 0.00 -1.45 0.00 0.00 58.65 57.22 1zpq h GLN 73 Cb 0.42 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 27.79 1zpq h GLN 73 CO 0.09 0.64 0.52 -0.39 -0.95 0.00 0.00 178.83 178.74 1zpq h VAL 74 N 0.00 1.00 0.10 -0.54 -1.51 -0.60 -2.18 116.25 112.52 1zpq h VAL 74 Ca -0.01 -0.32 -0.27 0.00 -1.23 0.00 0.00 66.70 64.88 1zpq h VAL 74 Cb 1.31 -0.00 -0.00 0.00 -2.13 0.00 0.00 31.29 30.47 1zpq h VAL 74 CO 0.08 0.17 -1.25 0.00 -1.23 0.00 0.00 177.57 175.34 1zpq h ALA 75 N 1.42 0.18 -0.25 5.19 0.00 -1.30 -2.69 119.26 121.82 1zpq h ALA 75 Ca 0.39 -0.94 0.07 0.00 0.00 0.00 0.00 54.91 54.43 1zpq h ALA 75 Cb 0.24 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1zpq h ALA 75 CO -0.20 1.06 0.45 0.00 0.00 0.00 0.00 179.25 180.57 1zpq h ALA 76 N 0.65 1.82 0.00 0.00 0.00 0.93 -1.51 119.26 121.14 1zpq h ALA 76 Ca -0.13 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.61 1zpq h ALA 76 Cb 1.95 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.72 1zpq h ALA 76 CO 0.18 -0.58 -2.12 -0.89 0.00 0.00 0.00 179.25 175.84 1zpq n ILE 77 N -3.29 0.62 1.24 0.00 5.41 -0.86 -4.10 119.36 118.39 1zpq n ILE 77 Ca 0.04 -0.65 0.00 0.00 1.00 0.00 0.00 62.75 63.14 1zpq n ILE 77 Cb 0.57 -0.22 0.01 0.00 -0.71 0.00 0.00 39.64 39.29 1zpq n ILE 77 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1zpq n LEU 78 N -2.49 0.84 0.00 1.39 4.77 -0.60 -5.13 117.00 115.78 1zpq n LEU 78 Ca -0.16 -0.42 0.00 0.00 -0.03 0.00 0.00 56.01 55.40 1zpq n LEU 78 Cb 0.82 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 1zpq n LEU 78 CO 0.45 0.19 0.04 0.41 -1.33 0.00 0.00 177.39 177.15