#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1no4 s LEU 3 N 0.00 4.37 0.42 2.45 1.43 -1.26 -4.97 118.68 121.12 1no4 s LEU 3 Ca 0.00 2.54 -0.25 0.00 -1.03 0.00 0.00 54.13 55.39 1no4 s LEU 3 Cb 0.00 -3.59 -0.08 0.00 0.03 0.00 0.00 46.19 42.55 1no4 s LEU 3 CO 0.00 -0.79 1.22 -0.54 0.23 0.00 0.00 176.35 176.47 1no4 s LYS 4 N 1.25 3.93 0.41 1.70 1.02 -1.26 -4.79 119.74 122.00 1no4 s LYS 4 Ca 0.69 1.94 0.23 0.00 0.02 0.00 0.00 55.97 58.85 1no4 s LYS 4 Cb -0.42 -2.63 1.25 0.00 -0.52 0.00 0.00 37.83 35.51 1no4 s LYS 4 CO 0.31 -0.46 1.70 -1.35 -0.92 0.00 0.00 175.35 174.63 1no4 h PRO 5 N 2.48 0.24 -0.27 -1.68 0.11 -1.99 0.17 132.00 131.06 1no4 h PRO 5 Ca -0.49 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.56 1no4 h PRO 5 Cb 1.24 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1no4 h PRO 5 CO 0.62 0.16 0.01 1.49 -0.21 0.00 0.00 178.00 180.07 1no4 h GLU 6 N 0.25 0.47 -0.64 1.05 4.22 -1.99 0.72 114.58 118.67 1no4 h GLU 6 Ca 0.70 -0.14 -0.04 0.00 0.08 0.00 0.00 59.36 59.96 1no4 h GLU 6 Cb 1.99 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 31.16 1no4 h GLU 6 CO -0.37 0.62 0.26 0.93 -2.18 0.00 0.00 179.01 178.27 1no4 h GLU 7 N 0.27 0.96 -0.40 1.92 5.08 -1.09 -1.34 114.58 119.97 1no4 h GLU 7 Ca 0.08 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1no4 h GLU 7 Cb 0.40 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 1no4 h GLU 7 CO 0.01 0.80 0.22 1.25 -1.00 0.00 0.00 179.01 180.29 1no4 h HIS 8 N 0.90 0.54 -0.72 4.33 2.76 -0.97 -2.64 115.15 119.35 1no4 h HIS 8 Ca 0.21 -0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.40 1no4 h HIS 8 Cb 0.20 -0.17 -0.04 0.00 1.55 0.00 0.00 27.41 28.94 1no4 h HIS 8 CO 0.01 0.41 0.45 1.49 -1.30 0.00 0.00 177.93 179.00 1no4 h GLU 9 N 0.51 0.86 -0.42 5.26 4.57 -0.42 -1.90 114.58 123.05 1no4 h GLU 9 Ca 0.14 -0.05 0.08 0.00 -1.18 0.00 0.00 59.36 58.35 1no4 h GLU 9 Cb 0.05 -0.19 -0.07 0.00 -0.16 0.00 0.00 28.75 28.37 1no4 h GLU 9 CO -0.02 0.57 -0.03 -0.44 -1.18 0.00 0.00 179.01 177.91 1no4 h ASP 10 N 0.89 -0.23 -0.63 1.04 3.32 -0.91 -0.00 116.42 119.89 1no4 h ASP 10 Ca 0.29 0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.44 1no4 h ASP 10 Cb 0.01 0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.73 1no4 h ASP 10 CO -0.11 -0.08 0.39 0.40 -1.72 0.00 0.00 179.24 178.13 1no4 h ILE 11 N 0.08 1.18 -0.75 0.35 2.04 -1.18 -0.59 117.51 118.63 1no4 h ILE 11 Ca 0.21 -0.38 0.03 0.00 1.00 0.00 0.00 64.86 65.72 1no4 h ILE 11 Cb 0.30 0.29 -0.05 0.00 -0.74 0.00 0.00 36.82 36.63 1no4 h ILE 11 CO -0.37 0.18 0.48 -0.07 0.00 0.00 0.00 178.15 178.37 1no4 h LEU 12 N 0.86 0.79 -0.30 1.44 3.38 -0.56 -1.06 115.31 119.86 1no4 h LEU 12 Ca 0.23 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 1no4 h LEU 12 Cb -0.04 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1no4 h LEU 12 CO -0.04 0.55 0.15 -1.13 0.09 0.00 0.00 178.44 178.05 1no4 h ASN 13 N 0.93 0.39 -0.53 -0.43 -0.73 -0.45 -2.51 115.58 112.26 1no4 h ASN 13 Ca 0.30 -0.12 0.05 0.00 1.87 0.00 0.00 56.30 58.40 1no4 h ASN 13 Cb 0.01 -0.10 -0.05 0.00 0.27 0.00 0.00 38.32 38.45 1no4 h ASN 13 CO -0.11 0.40 0.27 0.50 -0.37 0.00 0.00 177.43 178.12 1no4 h LYS 14 N 0.36 0.50 0.00 6.67 3.64 -0.65 -1.53 116.57 125.55 1no4 h LYS 14 Ca 0.10 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1no4 h LYS 14 Cb 0.11 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1no4 h LYS 14 CO -0.01 0.33 0.00 -0.07 -2.27 0.00 0.00 179.45 177.43 1no4 h LEU 15 N 0.51 0.00 -0.72 5.20 3.38 -0.94 -2.89 115.31 119.85 1no4 h LEU 15 Ca 0.24 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.09 1no4 h LEU 15 Cb 0.15 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1no4 h LEU 15 CO -0.17 0.00 -0.24 0.25 0.09 0.00 0.00 178.44 178.37 1no4 h LEU 16 N 0.00 0.74 -9.11 1.67 5.85 -0.84 -3.44 115.31 110.18 1no4 h LEU 16 Ca 0.00 -0.27 -0.56 0.00 0.84 0.00 0.00 57.88 57.89 1no4 h LEU 16 Cb 0.21 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 1no4 h LEU 16 CO 0.00 0.96 1.32 -0.62 -0.34 0.00 0.00 178.44 179.76 1no4 s ASP 17 N -6.77 5.99 0.62 1.25 2.15 -1.10 -4.90 116.67 113.92 1no4 s ASP 17 Ca -0.09 2.06 0.37 0.00 0.43 0.00 0.00 52.55 55.33 1no4 s ASP 17 Cb 0.13 -2.52 2.05 0.00 -0.30 0.00 0.00 42.92 42.28 1no4 s ASP 17 CO 0.83 -1.51 2.27 -0.65 -0.17 0.00 0.00 175.17 175.94 1no4 h PRO 18 N 12.60 0.00 -0.02 4.34 0.11 -1.90 -2.48 132.00 144.66 1no4 h PRO 18 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1no4 h PRO 18 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1no4 h PRO 18 CO 0.97 0.02 -0.14 0.39 -0.21 0.00 0.00 178.00 179.02 1no4 n GLU 19 N -3.37 1.59 -1.62 1.05 -0.58 -1.26 -4.97 120.64 111.48 1no4 n GLU 19 Ca -0.03 -1.14 -0.49 0.00 -0.42 0.00 0.00 57.16 55.09 1no4 n GLU 19 Cb 0.12 -1.48 -0.05 0.00 -0.57 0.00 0.00 31.44 29.46 1no4 n GLU 19 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1no4 n LEU 20 N 0.29 2.26 -4.67 -4.62 7.94 -0.94 -4.85 117.00 112.41 1no4 n LEU 20 Ca 0.14 1.11 -0.44 0.00 -1.11 0.00 0.00 56.01 55.71 1no4 n LEU 20 Cb 0.44 -1.29 -0.02 0.00 0.53 0.00 0.00 43.42 43.07 1no4 n LEU 20 CO 0.20 -0.77 0.98 0.00 -1.11 0.00 0.00 177.39 176.70 1no4 n ALA 21 N 2.67 1.10 -0.19 1.96 0.00 -1.26 -4.76 120.51 120.04 1no4 n ALA 21 Ca 0.17 0.40 0.14 0.00 0.00 0.00 0.00 53.44 54.15 1no4 n ALA 21 Cb 0.24 -2.26 0.47 0.00 0.00 0.00 0.00 19.45 17.90 1no4 n ALA 21 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1no4 h GLN 22 N 3.87 0.48 -0.44 0.00 5.75 -1.99 0.28 115.11 123.05 1no4 h GLN 22 Ca -0.45 -0.03 -0.07 0.00 -0.15 0.00 0.00 58.65 57.95 1no4 h GLN 22 Cb 1.28 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 29.70 1no4 h GLN 22 CO 0.73 0.31 -0.01 0.66 -2.65 0.00 0.00 178.83 177.88 1no4 h SER 23 N 0.49 0.70 0.53 -0.69 4.64 -1.99 -0.73 113.55 116.50 1no4 h SER 23 Ca 0.39 -0.16 -0.22 0.00 -0.47 0.00 0.00 61.79 61.32 1no4 h SER 23 Cb 0.80 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 62.70 1no4 h SER 23 CO -0.14 0.78 -0.97 -0.33 -0.87 0.00 0.00 176.83 175.30 1no4 h GLU 24 N 0.68 0.27 -0.28 4.77 5.08 -1.36 -1.90 114.58 121.85 1no4 h GLU 24 Ca 0.14 -0.32 -0.04 0.00 -1.00 0.00 0.00 59.36 58.13 1no4 h GLU 24 Cb 0.44 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 1no4 h GLU 24 CO 0.02 1.05 0.02 -0.09 -1.00 0.00 0.00 179.01 179.02 1no4 h ARG 25 N 0.14 0.48 -0.75 2.33 2.43 -0.95 -0.62 114.38 117.43 1no4 h ARG 25 Ca -0.07 -0.14 0.03 0.00 -0.81 0.00 0.00 59.98 58.99 1no4 h ARG 25 Cb 1.63 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 31.08 1no4 h ARG 25 CO 0.16 0.61 0.48 1.15 -1.51 0.00 0.00 179.97 180.85 1no4 h THR 26 N 0.28 1.12 -0.42 0.20 2.02 -1.15 -1.50 112.91 113.45 1no4 h THR 26 Ca 0.08 -0.32 -0.08 0.00 0.77 0.00 0.00 66.41 66.86 1no4 h THR 26 Cb 0.38 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 66.87 1no4 h THR 26 CO 0.01 0.17 -0.04 -0.08 0.37 0.00 0.00 175.52 175.95 1no4 h GLU 27 N 0.94 0.77 -0.48 6.66 4.57 -1.10 -1.43 114.58 124.51 1no4 h GLU 27 Ca 0.30 -0.27 -0.08 0.00 -1.18 0.00 0.00 59.36 58.13 1no4 h GLU 27 Cb -0.00 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.51 1no4 h GLU 27 CO -0.10 0.87 -0.04 0.00 -1.18 0.00 0.00 179.01 178.55 1no4 h ALA 28 N 0.88 1.02 -0.26 2.92 0.00 -0.85 -1.60 119.26 121.36 1no4 h ALA 28 Ca 0.12 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 1no4 h ALA 28 Cb 0.54 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1no4 h ALA 28 CO 0.03 0.60 -0.29 -0.07 0.00 0.00 0.00 179.25 179.52 1no4 h LEU 29 N 0.77 0.54 -0.53 0.00 4.07 -1.16 -2.10 115.31 116.89 1no4 h LEU 29 Ca 0.14 -0.20 -0.07 0.00 0.08 0.00 0.00 57.88 57.83 1no4 h LEU 29 Cb 0.52 -0.15 -0.02 0.00 1.08 0.00 0.00 40.66 42.09 1no4 h LEU 29 CO 0.03 0.81 0.05 1.56 -1.08 0.00 0.00 178.44 179.81 1no4 h GLN 30 N 0.46 0.91 -0.89 1.13 1.08 -0.78 -0.89 115.11 116.12 1no4 h GLN 30 Ca 0.06 -0.26 0.01 0.00 -1.45 0.00 0.00 58.65 57.01 1no4 h GLN 30 Cb 0.74 -0.10 -0.04 0.00 -0.05 0.00 0.00 27.48 28.03 1no4 h GLN 30 CO 0.06 0.90 0.59 1.96 -0.95 0.00 0.00 178.83 181.39 1no4 h GLN 31 N 0.78 1.17 -0.60 1.46 4.20 -1.04 0.35 115.11 121.43 1no4 h GLN 31 Ca 0.16 -0.07 -0.10 0.00 0.06 0.00 0.00 58.65 58.69 1no4 h GLN 31 Cb 0.46 -0.26 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 1no4 h GLN 31 CO 0.02 0.77 -0.02 -0.07 -0.67 0.00 0.00 178.83 178.86 1no4 h LEU 32 N 1.20 1.06 -0.12 1.46 3.38 -1.07 -1.09 115.31 120.13 1no4 h LEU 32 Ca 0.33 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1no4 h LEU 32 Cb -0.13 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.33 1no4 h LEU 32 CO -0.07 1.12 0.06 -0.09 0.09 0.00 0.00 178.44 179.54 1no4 h ARG 33 N 0.97 0.17 -0.52 1.13 2.43 -0.42 -0.54 114.38 117.60 1no4 h ARG 33 Ca 0.17 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.27 1no4 h ARG 33 Cb 0.59 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.09 1no4 h ARG 33 CO 0.04 0.23 0.16 0.28 -1.51 0.00 0.00 179.97 179.16 1no4 h VAL 34 N 0.08 1.23 -0.29 0.20 2.07 -0.89 -1.95 116.25 116.70 1no4 h VAL 34 Ca 0.04 -0.79 -0.00 0.00 0.82 0.00 0.00 66.70 66.77 1no4 h VAL 34 Cb 0.11 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1no4 h VAL 34 CO -0.01 0.29 0.17 -1.13 0.02 0.00 0.00 177.57 176.92 1no4 h ASN 35 N 0.72 0.36 -0.29 0.57 -0.73 -1.05 -2.23 115.58 112.92 1no4 h ASN 35 Ca 0.17 -0.07 -0.04 0.00 1.87 0.00 0.00 56.30 58.23 1no4 h ASN 35 Cb 0.28 -0.09 -0.02 0.00 0.27 0.00 0.00 38.32 38.76 1no4 h ASN 35 CO -0.00 0.32 0.08 0.22 -0.37 0.00 0.00 177.43 177.68 1no4 h TYR 36 N 0.37 0.56 -0.53 0.67 3.20 -0.96 0.65 116.97 120.93 1no4 h TYR 36 Ca 0.10 -0.04 -0.06 0.00 3.14 0.00 0.00 58.73 61.88 1no4 h TYR 36 Cb 0.04 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.11 1no4 h TYR 36 CO -0.04 0.50 0.10 0.78 -1.64 0.00 0.00 178.16 177.86 1no4 h GLY 37 N 0.78 0.94 0.84 1.82 0.00 -1.03 -0.82 103.07 105.60 1no4 h GLY 37 Ca 0.13 -0.61 -0.06 0.00 0.00 0.00 0.00 47.33 46.78 1no4 h GLY 37 CO -0.00 0.57 -0.07 1.76 0.00 0.00 0.00 176.54 178.80 1no4 h SER 38 N 0.76 0.47 0.25 0.19 0.02 -0.80 -1.69 113.55 112.76 1no4 h SER 38 Ca 0.16 -0.38 -0.01 0.00 -0.84 0.00 0.00 61.79 60.72 1no4 h SER 38 Cb 0.38 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.80 1no4 h SER 38 CO 0.01 0.74 -0.12 0.15 -1.14 0.00 0.00 176.83 176.47 1no4 h PHE 39 N 0.20 -0.32 -0.92 3.45 3.04 -0.80 -1.91 116.94 119.69 1no4 h PHE 39 Ca 0.06 -0.01 0.04 0.00 3.98 0.00 0.00 57.97 62.04 1no4 h PHE 39 Cb 0.54 0.10 -0.05 0.00 2.56 0.00 0.00 35.95 39.10 1no4 h PHE 39 CO 0.05 -0.18 0.60 0.28 -2.02 0.00 0.00 178.31 177.05 1no4 h VAL 40 N -0.36 1.13 0.62 1.41 2.07 -1.19 -1.20 116.25 118.73 1no4 h VAL 40 Ca -0.03 -0.39 -0.02 0.00 0.82 0.00 0.00 66.70 67.07 1no4 h VAL 40 Cb 0.28 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 29.94 1no4 h VAL 40 CO 0.06 0.21 -0.40 -1.28 0.02 0.00 0.00 177.57 176.18 1no4 h SER 41 N 1.13 -1.01 1.27 0.57 0.87 -0.90 -1.65 113.55 113.83 1no4 h SER 41 Ca 0.37 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 61.00 1no4 h SER 41 Cb 0.06 0.30 0.00 0.00 -0.44 0.00 0.00 62.40 62.32 1no4 h SER 41 CO -0.12 -0.61 0.00 1.05 -0.53 0.00 0.00 176.83 176.62 1no4 h GLU 42 N -0.97 0.00 -0.27 2.24 4.11 -1.24 -2.28 114.58 116.17 1no4 h GLU 42 Ca -0.08 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.18 1no4 h GLU 42 Cb 0.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.04 1no4 h GLU 42 CO 0.06 0.00 -0.50 -0.92 0.07 0.00 0.00 179.01 177.72 1no4 h TYR 43 N 0.00 1.03 -0.44 2.06 3.20 -1.04 -0.45 116.97 121.34 1no4 h TYR 43 Ca 0.00 -0.37 -0.11 0.00 3.14 0.00 0.00 58.73 61.40 1no4 h TYR 43 Cb 0.64 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.70 1no4 h TYR 43 CO 0.00 1.18 -0.16 -0.91 -1.64 0.00 0.00 178.16 176.63 1no4 h ASN 44 N 0.58 0.83 -0.25 -2.11 2.35 -1.07 -0.70 115.58 115.22 1no4 h ASN 44 Ca 0.01 -0.27 -0.03 0.00 -0.55 0.00 0.00 56.30 55.46 1no4 h ASN 44 Cb 1.11 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 39.24 1no4 h ASN 44 CO 0.11 0.98 0.03 0.44 -1.65 0.00 0.00 177.43 177.34 1no4 h ASP 45 N 0.73 0.41 -0.24 5.81 3.32 -1.31 -0.99 116.42 124.16 1no4 h ASP 45 Ca 0.11 -0.28 -0.03 0.00 0.02 0.00 0.00 57.03 56.85 1no4 h ASP 45 Cb 0.67 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.09 1no4 h ASP 45 CO 0.05 0.59 0.06 0.25 -1.72 0.00 0.00 179.24 178.47 1no4 h LEU 46 N 0.22 0.43 -0.18 1.55 5.85 -0.93 -1.48 115.31 120.78 1no4 h LEU 46 Ca 0.07 -0.06 -0.11 0.00 0.84 0.00 0.00 57.88 58.63 1no4 h LEU 46 Cb 0.36 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.28 1no4 h LEU 46 CO 0.01 0.45 -0.31 0.74 -0.34 0.00 0.00 178.44 178.99 1no4 h THR 47 N 0.46 1.34 -0.49 1.05 2.02 -0.84 -1.47 112.91 114.99 1no4 h THR 47 Ca 0.11 -1.54 -0.03 0.00 0.77 0.00 0.00 66.41 65.71 1no4 h THR 47 Cb 0.21 1.90 -0.02 0.00 -1.74 0.00 0.00 68.15 68.50 1no4 h THR 47 CO -0.00 0.47 0.18 0.11 0.37 0.00 0.00 175.52 176.65 1no4 h LYS 48 N 0.17 0.74 -0.06 6.66 1.57 -0.92 -0.83 116.57 123.92 1no4 h LYS 48 Ca 0.01 -0.14 -0.08 0.00 -1.87 0.00 0.00 60.65 58.56 1no4 h LYS 48 Cb 0.90 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.08 1no4 h LYS 48 CO 0.07 0.67 -0.36 0.66 -0.57 0.00 0.00 179.45 179.93 1no4 h SER 49 N 0.65 0.11 -0.03 0.86 4.64 -1.30 -1.78 113.55 116.70 1no4 h SER 49 Ca 0.16 -0.04 -0.18 0.00 -0.47 0.00 0.00 61.79 61.26 1no4 h SER 49 Cb 0.22 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1no4 h SER 49 CO -0.01 0.47 -0.60 -0.74 -0.87 0.00 0.00 176.83 175.07 1no4 h HIS 50 N 0.10 0.82 -0.10 4.77 -0.00 -0.85 -1.06 115.15 118.81 1no4 h HIS 50 Ca 0.01 -0.31 -0.09 0.00 -0.00 0.00 0.00 60.37 59.98 1no4 h HIS 50 Cb 0.68 -0.15 -0.01 0.00 -0.00 0.00 0.00 27.41 27.93 1no4 h HIS 50 CO 0.01 1.08 -0.33 0.93 -0.00 0.00 0.00 177.93 179.61 1no4 h GLU 51 N 0.48 0.20 0.02 5.26 5.08 -0.81 -0.44 114.58 124.37 1no4 h GLU 51 Ca -0.00 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1no4 h GLU 51 Cb 1.18 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1no4 h GLU 51 CO 0.12 0.52 -0.01 -0.22 -1.00 0.00 0.00 179.01 178.42 1no4 h LYS 52 N 0.18 -0.03 -0.91 2.33 3.64 -1.09 -1.65 116.57 119.04 1no4 h LYS 52 Ca 0.02 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.46 1no4 h LYS 52 Cb 0.68 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.45 1no4 h LYS 52 CO 0.05 0.39 0.58 -0.07 -2.27 0.00 0.00 179.45 178.13 1no4 h LEU 53 N -0.46 0.93 -0.87 5.20 3.38 -0.95 0.10 115.31 122.64 1no4 h LEU 53 Ca -0.00 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1no4 h LEU 53 Cb 0.44 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 1no4 h LEU 53 CO 0.01 0.61 0.34 0.00 0.09 0.00 0.00 178.44 179.49 1no4 h ALA 54 N 1.40 1.11 -0.44 1.53 0.00 -1.00 0.76 119.26 122.62 1no4 h ALA 54 Ca 0.38 -0.18 -0.14 0.00 0.00 0.00 0.00 54.91 54.97 1no4 h ALA 54 Cb 0.11 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1no4 h ALA 54 CO -0.15 0.65 -0.27 0.00 0.00 0.00 0.00 179.25 179.48 1no4 h ALA 55 N 1.23 0.63 -0.46 0.00 0.00 -0.30 -2.20 119.26 118.17 1no4 h ALA 55 Ca 0.27 -0.41 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 1no4 h ALA 55 Cb 0.17 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1no4 h ALA 55 CO -0.03 0.65 -0.07 0.93 0.00 0.00 0.00 179.25 180.73 1no4 h GLU 56 N 0.80 0.80 -0.03 0.00 5.08 -0.65 -1.62 114.58 118.98 1no4 h GLU 56 Ca 0.09 -0.25 -0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1no4 h GLU 56 Cb 0.85 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.02 1no4 h GLU 56 CO 0.08 0.85 0.01 -0.22 -1.00 0.00 0.00 179.01 178.73 1no4 h LYS 57 N 0.73 0.04 -0.80 2.33 3.64 -0.73 -0.79 116.57 120.98 1no4 h LYS 57 Ca 0.13 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.56 1no4 h LYS 57 Cb 0.55 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.31 1no4 h LYS 57 CO 0.03 0.21 0.49 -0.44 -2.27 0.00 0.00 179.45 177.47 1no4 h ASP 58 N -0.14 0.77 -0.61 4.20 3.32 -1.27 0.03 116.42 122.72 1no4 h ASP 58 Ca 0.01 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 1no4 h ASP 58 Cb 0.19 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 1no4 h ASP 58 CO -0.00 0.50 0.32 -0.78 -1.72 0.00 0.00 179.24 177.56 1no4 h ASP 59 N 0.91 0.79 -0.07 6.45 3.58 -1.09 -1.86 116.42 125.12 1no4 h ASP 59 Ca 0.35 -0.11 -0.11 0.00 0.42 0.00 0.00 57.03 57.58 1no4 h ASP 59 Cb 0.15 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 40.99 1no4 h ASP 59 CO -0.17 0.67 -0.31 -0.07 -2.88 0.00 0.00 179.24 176.49 1no4 h LEU 60 N 0.84 0.56 -0.53 2.28 3.38 -0.31 -1.33 115.31 120.21 1no4 h LEU 60 Ca 0.21 -0.21 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 1no4 h LEU 60 Cb 0.08 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1no4 h LEU 60 CO -0.03 0.84 -0.02 0.40 0.09 0.00 0.00 178.44 179.72 1no4 h ILE 61 N 0.47 1.27 -0.17 1.22 1.08 -0.76 0.17 117.51 120.77 1no4 h ILE 61 Ca 0.06 -1.13 -0.01 0.00 -0.39 0.00 0.00 64.86 63.39 1no4 h ILE 61 Cb 0.77 0.94 -0.01 0.00 -3.07 0.00 0.00 36.82 35.45 1no4 h ILE 61 CO 0.06 0.40 0.07 0.58 -0.69 0.00 0.00 178.15 178.57 1no4 h VAL 62 N 0.81 1.15 -0.07 1.67 2.07 -1.12 -0.85 116.25 119.91 1no4 h VAL 62 Ca 0.15 -0.45 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 1no4 h VAL 62 Cb 0.55 1.14 -0.00 0.00 -1.52 0.00 0.00 31.29 31.46 1no4 h VAL 62 CO 0.03 0.14 0.02 -1.28 0.02 0.00 0.00 177.57 176.51 1no4 h SER 63 N 0.13 0.11 0.37 0.57 0.87 -1.08 -2.65 113.55 111.85 1no4 h SER 63 Ca 0.06 -0.20 -0.03 0.00 -1.23 0.00 0.00 61.79 60.39 1no4 h SER 63 Cb 0.16 -0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 62.09 1no4 h SER 63 CO -0.01 0.28 -0.12 0.78 -0.53 0.00 0.00 176.83 177.23 1no4 h ASN 64 N -0.07 0.00 -0.04 6.23 -0.26 -0.65 -1.78 115.58 119.02 1no4 h ASN 64 Ca 0.02 0.00 -0.20 0.00 -0.56 0.00 0.00 56.30 55.56 1no4 h ASN 64 Cb 0.21 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.47 1no4 h ASN 64 CO -0.00 0.12 -0.71 0.28 -1.06 0.00 0.00 177.43 176.06 1no4 h SER 65 N 0.00 0.80 -0.43 5.81 0.02 -0.87 -0.32 113.55 118.56 1no4 h SER 65 Ca -0.00 -0.50 -0.05 0.00 -0.84 0.00 0.00 61.79 60.40 1no4 h SER 65 Cb 0.33 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.62 1no4 h SER 65 CO 0.02 1.27 0.07 0.50 -1.14 0.00 0.00 176.83 177.55 1no4 h LYS 66 N 0.48 0.72 -0.22 3.45 3.64 -1.05 -2.96 116.57 120.62 1no4 h LYS 66 Ca -0.03 -0.19 -0.02 0.00 -1.27 0.00 0.00 60.65 59.14 1no4 h LYS 66 Cb 1.31 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 33.04 1no4 h LYS 66 CO 0.14 0.75 0.07 -0.07 -2.27 0.00 0.00 179.45 178.07 1no4 h LEU 67 N 0.58 0.32 -1.63 5.20 4.07 -1.29 -3.14 115.31 119.41 1no4 h LEU 67 Ca 0.13 -0.20 0.08 0.00 0.08 0.00 0.00 57.88 57.97 1no4 h LEU 67 Cb 0.37 -0.08 -0.03 0.00 1.08 0.00 0.00 40.66 42.00 1no4 h LEU 67 CO 0.01 0.43 0.38 0.15 -1.08 0.00 0.00 178.44 178.32 1no4 h PHE 68 N 0.18 0.45 0.00 1.13 3.57 -1.02 -1.20 116.94 120.06 1no4 h PHE 68 Ca 0.07 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.58 1no4 h PHE 68 Cb 0.22 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 38.82 1no4 h PHE 68 CO 0.00 0.23 0.00 2.89 -2.23 0.00 0.00 178.31 179.20 1no4 n ARG 69 N -4.47 0.12 0.02 1.11 1.85 -1.12 -1.84 116.66 112.33 1no4 n ARG 69 Ca 0.08 0.32 0.11 0.00 -1.00 0.00 0.00 57.85 57.37 1no4 n ARG 69 Cb 0.31 -1.72 0.11 0.00 -1.05 0.00 0.00 32.46 30.11 1no4 n ARG 69 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 1no4 n GLN 70 N -1.94 0.15 -2.67 2.89 6.02 -0.46 -4.90 117.38 116.47 1no4 n GLN 70 Ca 0.03 0.01 -0.39 0.00 -0.01 0.00 0.00 57.00 56.64 1no4 n GLN 70 Cb 0.24 -1.56 -0.05 0.00 1.02 0.00 0.00 30.24 29.88 1no4 n GLN 70 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1no4 s ILE 71 N -3.10 3.93 0.00 5.09 -1.09 -0.76 -3.33 121.20 121.93 1no4 s ILE 71 Ca 0.07 1.80 0.00 0.00 -2.23 0.00 0.00 60.65 60.29 1no4 s ILE 71 Cb 0.16 -4.09 0.00 0.00 -1.58 0.00 0.00 42.46 36.95 1no4 s ILE 71 CO 0.76 0.32 0.00 0.61 -1.23 0.00 0.00 174.94 175.41 1no4 n GLY 72 N 1.06 0.68 3.94 6.18 0.00 -1.26 -5.04 105.19 110.74 1no4 n GLY 72 Ca -0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1no4 n GLY 72 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1no4 s LEU 73 N 0.00 4.15 0.00 0.99 1.43 -1.21 -5.25 118.68 118.78 1no4 s LEU 73 Ca 0.00 0.39 0.27 0.00 -1.03 0.00 0.00 54.13 53.76 1no4 s LEU 73 Cb 0.00 -3.20 0.86 0.00 0.03 0.00 0.00 46.19 43.89 1no4 s LEU 73 CO 0.00 -0.16 1.64 0.41 0.23 0.00 0.00 176.35 178.47