#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nu4 s PRO 8 N 0.00 4.13 0.00 2.89 0.02 -1.26 -4.86 135.00 135.92 1nu4 s PRO 8 Ca 0.00 2.58 0.00 0.00 0.02 0.00 0.00 61.00 63.60 1nu4 s PRO 8 Cb 0.00 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.48 1nu4 s PRO 8 CO 0.00 -0.66 0.00 0.27 -0.33 0.00 0.00 177.00 176.28 1nu4 n ASN 9 N 2.76 0.00 0.03 2.53 0.23 -1.26 -5.04 115.26 114.51 1nu4 n ASN 9 Ca 0.11 -0.86 0.12 0.00 -0.53 0.00 0.00 54.58 53.41 1nu4 n ASN 9 Cb 0.37 0.00 0.51 0.00 -2.08 0.00 0.00 39.78 38.58 1nu4 n ASN 9 CO 0.00 0.00 0.00 1.41 -0.93 0.00 0.00 177.26 177.74 1nu4 n HIS 10 N 0.00 0.22 -4.78 -2.53 8.25 -1.26 -4.67 115.22 110.44 1nu4 n HIS 10 Ca 0.00 0.07 -0.33 0.00 -0.26 0.00 0.00 57.72 57.20 1nu4 n HIS 10 Cb 0.00 -0.61 -0.14 0.00 1.12 0.00 0.00 29.99 30.36 1nu4 n HIS 10 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1nu4 s THR 11 N -3.04 3.13 -0.08 1.59 2.01 -1.26 -0.77 115.64 117.23 1nu4 s THR 11 Ca 0.11 -0.65 -0.00 0.00 0.31 0.00 0.00 61.69 61.46 1nu4 s THR 11 Cb 0.15 -2.29 -0.03 0.00 0.01 0.00 0.00 72.50 70.34 1nu4 s THR 11 CO 0.47 0.54 -0.05 0.27 -0.69 0.00 0.00 174.62 175.17 1nu4 s ILE 12 N -0.01 3.89 -0.24 1.82 -4.36 -0.69 -0.99 121.20 120.61 1nu4 s ILE 12 Ca -0.03 -0.41 -0.07 0.00 -0.26 0.00 0.00 60.65 59.88 1nu4 s ILE 12 Cb -0.14 -2.61 -0.03 0.00 1.25 0.00 0.00 42.46 40.93 1nu4 s ILE 12 CO 0.04 0.59 0.07 -0.47 0.24 0.00 0.00 174.94 175.41 1nu4 s TYR 13 N -0.74 3.10 -0.13 1.37 5.04 0.44 -1.99 117.35 124.43 1nu4 s TYR 13 Ca 0.11 -0.38 -0.04 0.00 -2.44 0.00 0.00 57.07 54.33 1nu4 s TYR 13 Cb -0.11 -2.23 -0.03 0.00 0.35 0.00 0.00 41.96 39.93 1nu4 s TYR 13 CO 0.02 -0.32 0.01 0.42 -1.34 0.00 0.00 175.55 174.34 1nu4 s ILE 14 N 1.53 4.36 0.40 3.14 1.01 0.48 -1.46 121.20 130.66 1nu4 s ILE 14 Ca 0.06 -0.21 0.04 0.00 0.00 0.00 0.00 60.65 60.54 1nu4 s ILE 14 Cb -0.15 -2.89 -0.03 0.00 0.01 0.00 0.00 42.46 39.41 1nu4 s ILE 14 CO 0.04 0.54 0.14 0.54 0.00 0.00 0.00 174.94 176.20 1nu4 s ASN 15 N -0.28 2.66 -1.44 3.58 4.22 0.46 -1.34 114.94 122.79 1nu4 s ASN 15 Ca 0.06 -1.67 -0.00 0.00 -2.14 0.00 0.00 52.86 49.11 1nu4 s ASN 15 Cb -0.12 0.49 0.00 0.00 1.28 0.00 0.00 41.25 42.90 1nu4 s ASN 15 CO 0.02 -0.93 0.06 -3.20 -2.04 0.00 0.00 177.10 171.01 1nu4 n ASN 16 N -1.29 -5.05 -4.81 3.54 5.15 -0.95 -2.10 115.26 109.75 1nu4 n ASN 16 Ca -0.05 -0.04 -0.34 0.00 -0.60 0.00 0.00 54.58 53.55 1nu4 n ASN 16 Cb 0.65 -4.12 -0.07 0.00 -0.53 0.00 0.00 39.78 35.71 1nu4 n ASN 16 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1nu4 s LEU 17 N -4.97 4.01 -0.11 1.20 1.43 -0.81 -4.67 118.68 114.75 1nu4 s LEU 17 Ca 0.03 1.73 -0.29 0.00 -1.03 0.00 0.00 54.13 54.57 1nu4 s LEU 17 Cb -0.01 -4.44 -0.06 0.00 0.03 0.00 0.00 46.19 41.71 1nu4 s LEU 17 CO 0.03 -0.33 1.98 0.21 0.23 0.00 0.00 176.35 178.48 1nu4 s ASN 18 N -2.06 6.07 0.00 2.29 3.84 -1.26 -4.49 114.94 119.33 1nu4 s ASN 18 Ca 0.60 2.16 0.29 0.00 0.21 0.00 0.00 52.86 56.12 1nu4 s ASN 18 Cb -0.11 -2.52 1.73 0.00 -0.55 0.00 0.00 41.25 39.79 1nu4 s ASN 18 CO 0.15 -1.43 2.08 -0.62 -2.79 0.00 0.00 177.10 174.49 1nu4 n GLU 19 N 8.01 0.87 0.00 0.43 1.02 -1.26 -2.98 120.64 126.73 1nu4 n GLU 19 Ca 0.23 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.50 1nu4 n GLU 19 Cb 0.43 -1.50 0.24 0.00 -0.02 0.00 0.00 31.44 30.59 1nu4 n GLU 19 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1nu4 n LYS 20 N -1.03 1.86 -3.07 3.49 4.01 -1.26 -4.86 118.16 117.29 1nu4 n LYS 20 Ca 0.21 -1.40 -0.39 0.00 -0.51 0.00 0.00 58.31 56.22 1nu4 n LYS 20 Cb 0.11 -1.47 -0.06 0.00 -0.51 0.00 0.00 35.03 33.11 1nu4 n LYS 20 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1nu4 s ILE 21 N -2.10 4.56 0.25 -0.18 -1.09 -1.16 -5.02 121.20 116.46 1nu4 s ILE 21 Ca 0.29 1.53 -0.30 0.00 -2.23 0.00 0.00 60.65 59.94 1nu4 s ILE 21 Cb 0.20 -4.06 -0.11 0.00 -1.58 0.00 0.00 42.46 36.91 1nu4 s ILE 21 CO 0.36 0.50 1.56 -1.59 -1.23 0.00 0.00 174.94 174.54 1nu4 s LYS 22 N -0.88 4.18 0.28 2.79 -2.85 -1.26 -4.81 119.74 117.18 1nu4 s LYS 22 Ca 0.34 2.47 0.00 0.00 -1.00 0.00 0.00 55.97 57.78 1nu4 s LYS 22 Cb -0.21 -3.07 0.64 0.00 -2.06 0.00 0.00 37.83 33.13 1nu4 s LYS 22 CO 0.23 -0.58 1.65 -0.22 0.10 0.00 0.00 175.35 176.53 1nu4 h LYS 23 N 5.42 0.21 -0.18 1.78 3.64 -1.96 0.29 116.57 125.78 1nu4 h LYS 23 Ca -0.46 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 58.87 1nu4 h LYS 23 Cb 1.21 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.98 1nu4 h LYS 23 CO 0.83 0.14 -0.05 -0.44 -2.27 0.00 0.00 179.45 177.66 1nu4 h ASP 24 N 0.22 0.36 -0.23 4.20 5.19 -1.94 -2.31 116.42 121.91 1nu4 h ASP 24 Ca 0.52 -0.37 -0.07 0.00 -0.62 0.00 0.00 57.03 56.48 1nu4 h ASP 24 Cb 1.01 -0.10 -0.02 0.00 0.18 0.00 0.00 39.33 40.40 1nu4 h ASP 24 CO -0.63 0.65 -0.09 -0.33 -3.12 0.00 0.00 179.24 175.72 1nu4 h GLU 25 N 0.07 0.60 -0.33 3.56 3.07 -1.64 -2.37 114.58 117.53 1nu4 h GLU 25 Ca 0.05 -0.17 -0.02 0.00 -0.50 0.00 0.00 59.36 58.71 1nu4 h GLU 25 Cb 0.50 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.33 1nu4 h GLU 25 CO 0.02 0.69 0.12 1.25 -1.40 0.00 0.00 179.01 179.69 1nu4 h LEU 26 N 0.56 0.46 -0.36 1.33 5.85 -0.41 -0.66 115.31 122.08 1nu4 h LEU 26 Ca 0.10 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.63 1nu4 h LEU 26 Cb 0.49 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 1nu4 h LEU 26 CO 0.03 0.52 0.17 0.50 -0.34 0.00 0.00 178.44 179.31 1nu4 h LYS 27 N 0.38 0.53 -0.65 1.25 3.64 -1.25 -0.60 116.57 119.87 1nu4 h LYS 27 Ca 0.11 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.39 1nu4 h LYS 27 Cb 0.21 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.91 1nu4 h LYS 27 CO -0.01 0.49 0.34 0.87 -2.27 0.00 0.00 179.45 178.87 1nu4 h LYS 28 N 0.45 0.92 -0.67 1.90 6.56 -1.31 -1.06 116.57 123.35 1nu4 h LYS 28 Ca 0.12 -0.12 -0.08 0.00 -1.06 0.00 0.00 60.65 59.52 1nu4 h LYS 28 Cb 0.14 -0.17 -0.03 0.00 -0.57 0.00 0.00 32.23 31.60 1nu4 h LYS 28 CO -0.01 0.71 0.11 0.77 -2.06 0.00 0.00 179.45 178.96 1nu4 h SER 29 N 0.89 1.07 -0.74 0.86 0.02 -0.92 -1.54 113.55 113.20 1nu4 h SER 29 Ca 0.23 -0.26 -0.05 0.00 -0.84 0.00 0.00 61.79 60.87 1nu4 h SER 29 Cb 0.07 -0.29 -0.03 0.00 0.14 0.00 0.00 62.40 62.29 1nu4 h SER 29 CO -0.03 1.06 0.28 -0.07 -1.14 0.00 0.00 176.83 176.92 1nu4 h LEU 30 N 1.04 1.03 -0.62 5.07 3.38 -0.75 -1.74 115.31 122.72 1nu4 h LEU 30 Ca 0.20 -0.18 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 1nu4 h LEU 30 Cb 0.45 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1nu4 h LEU 30 CO 0.01 0.94 0.07 -0.74 0.09 0.00 0.00 178.44 178.81 1nu4 h HIS 31 N 1.07 1.13 -0.30 1.13 2.76 -0.90 -0.92 115.15 119.12 1nu4 h HIS 31 Ca 0.24 -0.17 -0.02 0.00 -2.20 0.00 0.00 60.37 58.22 1nu4 h HIS 31 Cb 0.24 -0.30 -0.01 0.00 1.55 0.00 0.00 27.41 28.88 1nu4 h HIS 31 CO 0.02 0.97 0.10 0.00 -1.30 0.00 0.00 177.93 177.72 1nu4 h ALA 32 N 1.02 0.39 0.02 5.26 0.00 -1.04 -1.44 119.26 123.46 1nu4 h ALA 32 Ca 0.18 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1nu4 h ALA 32 Cb 0.48 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1nu4 h ALA 32 CO 0.02 0.01 -0.01 0.82 0.00 0.00 0.00 179.25 180.09 1nu4 h ILE 33 N 0.32 1.22 0.00 0.00 1.08 -1.23 -3.35 117.51 115.56 1nu4 h ILE 33 Ca 0.10 -0.76 0.00 0.00 -0.39 0.00 0.00 64.86 63.81 1nu4 h ILE 33 Cb 0.22 1.73 0.00 0.00 -3.07 0.00 0.00 36.82 35.71 1nu4 h ILE 33 CO -0.00 0.19 -0.23 -0.26 -0.69 0.00 0.00 178.15 177.16 1nu4 h PHE 34 N -0.36 0.00 0.00 1.37 0.04 -1.21 -3.33 116.94 113.45 1nu4 h PHE 34 Ca -0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 1nu4 h PHE 34 Cb 0.34 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.49 1nu4 h PHE 34 CO 0.04 0.00 -0.03 0.66 -0.60 0.00 0.00 178.31 178.38 1nu4 h SER 35 N 0.00 0.00 0.62 2.17 4.64 -1.38 -0.92 113.55 118.67 1nu4 h SER 35 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1nu4 h SER 35 Cb 0.97 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 1nu4 h SER 35 CO 0.00 0.03 0.00 -2.11 -0.87 0.00 0.00 176.83 173.88 1nu4 n ARG 36 N -3.32 0.04 0.00 4.77 1.85 -1.25 -2.12 116.66 116.63 1nu4 n ARG 36 Ca -0.02 0.26 0.11 0.00 -1.00 0.00 0.00 57.85 57.20 1nu4 n ARG 36 Cb 0.15 -1.58 0.11 0.00 -1.05 0.00 0.00 32.46 30.09 1nu4 n ARG 36 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1nu4 n PHE 37 N -1.66 0.00 0.00 2.89 3.72 -0.35 -5.04 117.46 117.02 1nu4 n PHE 37 Ca 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 1nu4 n PHE 37 Cb 0.20 -0.07 0.00 0.00 -0.94 0.00 0.00 39.48 38.68 1nu4 n PHE 37 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1nu4 n GLY 38 N 1.42 2.69 3.69 1.37 0.00 -0.90 -4.44 105.19 109.02 1nu4 n GLY 38 Ca 0.08 -1.55 -0.42 0.00 0.00 0.00 0.00 46.02 44.14 1nu4 n GLY 38 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1nu4 s GLN 39 N -1.95 4.14 -0.14 1.61 2.00 -1.26 -4.50 119.66 119.55 1nu4 s GLN 39 Ca 0.00 2.59 -0.14 0.00 -2.00 0.00 0.00 55.36 55.81 1nu4 s GLN 39 Cb 0.00 -3.66 -0.05 0.00 0.80 0.00 0.00 33.01 30.10 1nu4 s GLN 39 CO 0.00 -0.86 0.32 0.42 -0.50 0.00 0.00 175.29 174.67 1nu4 s ILE 40 N 2.95 5.28 -0.07 -2.34 1.01 -1.26 -1.14 121.20 125.63 1nu4 s ILE 40 Ca 0.82 0.61 -0.02 0.00 0.00 0.00 0.00 60.65 62.06 1nu4 s ILE 40 Cb -0.45 -3.65 -0.26 0.00 0.01 0.00 0.00 42.46 38.10 1nu4 s ILE 40 CO 0.37 0.40 0.58 -0.07 0.00 0.00 0.00 174.94 176.22 1nu4 h LEU 41 N 6.51 0.33 -7.00 2.97 3.38 -0.08 -3.46 115.31 117.95 1nu4 h LEU 41 Ca -0.42 -0.63 0.07 0.00 0.09 0.00 0.00 57.88 56.99 1nu4 h LEU 41 Cb 1.17 -0.11 -0.16 0.00 0.09 0.00 0.00 40.66 41.65 1nu4 h LEU 41 CO 0.74 1.55 0.44 -0.62 0.09 0.00 0.00 178.44 180.65 1nu4 s ASP 42 N -6.82 -0.42 -0.09 -0.43 2.15 -1.05 -5.01 116.67 105.01 1nu4 s ASP 42 Ca -0.14 0.13 -0.00 0.00 0.43 0.00 0.00 52.55 52.96 1nu4 s ASP 42 Cb 0.07 0.41 0.02 0.00 -0.30 0.00 0.00 42.92 43.12 1nu4 s ASP 42 CO 0.81 -0.62 -0.06 -0.63 -0.17 0.00 0.00 175.17 174.50 1nu4 s ILE 43 N -2.70 0.82 -0.35 4.11 1.01 -1.26 -0.38 121.20 122.45 1nu4 s ILE 43 Ca 0.02 -0.20 -0.12 0.00 0.00 0.00 0.00 60.65 60.35 1nu4 s ILE 43 Cb -0.01 -0.85 -0.00 0.00 0.01 0.00 0.00 42.46 41.60 1nu4 s ILE 43 CO -0.06 0.32 0.22 -0.76 0.00 0.00 0.00 174.94 174.66 1nu4 s LEU 44 N 1.50 4.53 -0.35 2.97 1.43 0.36 -4.98 118.68 124.14 1nu4 s LEU 44 Ca -0.00 -0.59 0.01 0.00 -1.03 0.00 0.00 54.13 52.51 1nu4 s LEU 44 Cb -0.13 -2.09 0.14 0.00 0.03 0.00 0.00 46.19 44.14 1nu4 s LEU 44 CO -0.05 -0.28 0.27 -0.69 0.23 0.00 0.00 176.35 175.83 1nu4 s VAL 45 N 1.67 -0.10 0.61 -1.59 1.01 -1.26 -2.19 120.40 118.56 1nu4 s VAL 45 Ca 0.05 -1.25 0.08 0.00 0.00 0.00 0.00 61.98 60.86 1nu4 s VAL 45 Cb -0.18 -0.94 0.10 0.00 0.00 0.00 0.00 36.38 35.37 1nu4 s VAL 45 CO 0.09 -0.78 0.85 -0.94 0.00 0.00 0.00 175.10 174.32 1nu4 s SER 46 N 1.43 4.90 0.23 3.32 1.04 -1.26 -4.91 113.70 118.45 1nu4 s SER 46 Ca 0.16 -0.77 -0.03 0.00 0.48 0.00 0.00 55.95 55.79 1nu4 s SER 46 Cb -0.19 0.29 0.23 0.00 0.10 0.00 0.00 66.02 66.45 1nu4 s SER 46 CO -0.08 -1.49 1.64 0.08 0.98 0.00 0.00 173.24 174.38 1nu4 h ARG 47 N 0.00 0.70 0.15 4.02 -0.00 -2.00 0.61 114.38 117.87 1nu4 h ARG 47 Ca -0.31 -0.28 -0.01 0.00 -0.00 0.00 0.00 59.98 59.38 1nu4 h ARG 47 Cb 1.28 -0.03 0.00 0.00 -0.00 0.00 0.00 29.97 31.22 1nu4 h ARG 47 CO 0.40 0.88 -0.07 1.03 -0.00 0.00 0.00 179.97 182.21 1nu4 h SER 48 N 0.61 -0.17 -0.56 0.08 0.87 -1.99 -2.23 113.55 110.15 1nu4 h SER 48 Ca 0.08 -0.19 -0.00 0.00 -1.23 0.00 0.00 61.79 60.45 1nu4 h SER 48 Cb 0.74 0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.71 1nu4 h SER 48 CO 0.06 0.09 0.34 -0.07 -0.53 0.00 0.00 176.83 176.72 1nu4 h LEU 49 N -0.44 0.68 -0.06 2.23 3.38 -1.82 -3.03 115.31 116.25 1nu4 h LEU 49 Ca -0.02 -0.06 0.03 0.00 0.09 0.00 0.00 57.88 57.92 1nu4 h LEU 49 Cb 0.35 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 1nu4 h LEU 49 CO 0.03 0.54 -0.17 0.50 0.09 0.00 0.00 178.44 179.44 1nu4 h LYS 50 N 0.76 -0.24 -0.27 1.13 3.64 -0.83 0.63 116.57 121.40 1nu4 h LYS 50 Ca 0.20 0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.68 1nu4 h LYS 50 Cb -0.01 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 1nu4 h LYS 50 CO -0.04 -0.16 0.24 0.52 -2.27 0.00 0.00 179.45 177.74 1nu4 h MET 51 N -0.25 0.00 -0.34 1.90 2.86 -1.30 0.12 114.93 117.91 1nu4 h MET 51 Ca 0.07 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 1nu4 h MET 51 Cb 0.35 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.01 1nu4 h MET 51 CO -0.20 0.00 0.00 0.54 1.06 0.00 0.00 176.91 178.31 1nu4 n ARG 52 N -4.08 2.48 -3.37 1.72 1.74 -0.74 -4.96 116.66 109.44 1nu4 n ARG 52 Ca 0.04 -2.22 -0.19 0.00 -0.77 0.00 0.00 57.85 54.71 1nu4 n ARG 52 Cb 0.39 -1.51 0.07 0.00 -1.02 0.00 0.00 32.46 30.39 1nu4 n ARG 52 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1nu4 n GLY 53 N 1.49 -0.30 3.29 -0.13 0.00 0.41 -4.68 105.19 105.28 1nu4 n GLY 53 Ca 0.19 0.09 -0.20 0.00 0.00 0.00 0.00 46.02 46.10 1nu4 n GLY 53 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nu4 s GLN 54 N -5.84 1.17 0.15 1.61 -0.21 0.09 -1.93 119.66 114.69 1nu4 s GLN 54 Ca 0.36 -1.34 -0.24 0.00 0.02 0.00 0.00 55.36 54.15 1nu4 s GLN 54 Cb -0.16 -1.13 0.07 0.00 1.00 0.00 0.00 33.01 32.78 1nu4 s GLN 54 CO 0.62 0.22 0.72 0.00 -2.12 0.00 0.00 175.29 174.74 1nu4 s ALA 55 N -2.13 -1.58 0.01 6.09 0.00 -0.45 -4.05 121.76 119.64 1nu4 s ALA 55 Ca 0.13 0.40 0.04 0.00 0.00 0.00 0.00 51.96 52.53 1nu4 s ALA 55 Cb -0.05 0.75 -0.01 0.00 0.00 0.00 0.00 23.12 23.81 1nu4 s ALA 55 CO 0.05 -0.83 -0.12 -0.06 0.00 0.00 0.00 175.76 174.80 1nu4 s PHE 56 N -3.60 1.03 -0.09 0.00 0.40 -0.93 -0.38 117.98 114.41 1nu4 s PHE 56 Ca 0.05 -0.25 0.02 0.00 -0.60 0.00 0.00 56.93 56.15 1nu4 s PHE 56 Cb -0.02 -0.65 0.02 0.00 0.51 0.00 0.00 43.02 42.88 1nu4 s PHE 56 CO -0.07 -0.01 -0.13 0.08 0.70 0.00 0.00 175.22 175.80 1nu4 s VAL 57 N -0.47 1.28 -0.27 -0.44 1.01 -0.84 -0.49 120.40 120.18 1nu4 s VAL 57 Ca 0.03 -0.52 -0.06 0.00 0.00 0.00 0.00 61.98 61.43 1nu4 s VAL 57 Cb -0.05 -1.19 0.00 0.00 0.00 0.00 0.00 36.38 35.14 1nu4 s VAL 57 CO 0.00 0.40 0.04 -0.63 0.00 0.00 0.00 175.10 174.91 1nu4 s ILE 58 N 1.00 3.78 0.23 2.22 1.01 0.49 -1.70 121.20 128.23 1nu4 s ILE 58 Ca -0.07 -0.60 -0.04 0.00 0.00 0.00 0.00 60.65 59.94 1nu4 s ILE 58 Cb -0.15 -2.87 -0.05 0.00 0.01 0.00 0.00 42.46 39.40 1nu4 s ILE 58 CO -0.01 0.21 0.47 -0.36 0.00 0.00 0.00 174.94 175.25 1nu4 s PHE 59 N 1.50 3.48 0.28 3.97 0.08 0.05 0.64 117.98 127.98 1nu4 s PHE 59 Ca 0.04 0.53 0.01 0.00 0.12 0.00 0.00 56.93 57.63 1nu4 s PHE 59 Cb -0.16 -2.00 0.43 0.00 -0.57 0.00 0.00 43.02 40.71 1nu4 s PHE 59 CO 0.01 0.29 1.76 -0.22 -0.10 0.00 0.00 175.22 176.96 1nu4 h LYS 60 N 1.99 0.58 -6.09 0.44 3.64 -1.44 -3.44 116.57 112.25 1nu4 h LYS 60 Ca -0.47 -0.18 -0.60 0.00 -1.27 0.00 0.00 60.65 58.13 1nu4 h LYS 60 Cb 1.19 -0.05 -0.27 0.00 -0.41 0.00 0.00 32.23 32.68 1nu4 h LYS 60 CO 0.68 0.70 -0.85 -1.21 -2.27 0.00 0.00 179.45 176.50 1nu4 s GLU 61 N -4.73 1.54 0.38 1.90 0.41 -1.26 -5.03 118.70 111.90 1nu4 s GLU 61 Ca -0.08 -0.86 0.06 0.00 -0.41 0.00 0.00 54.97 53.68 1nu4 s GLU 61 Cb 0.14 -1.58 0.75 0.00 -1.78 0.00 0.00 34.13 31.67 1nu4 s GLU 61 CO 0.79 0.42 2.00 0.28 -0.49 0.00 0.00 175.26 178.25 1nu4 h VAL 62 N 4.47 1.14 -0.40 2.63 2.07 -1.84 -2.27 116.25 122.04 1nu4 h VAL 62 Ca -0.41 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 66.71 1nu4 h VAL 62 Cb 1.15 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 1nu4 h VAL 62 CO 0.46 0.16 0.23 0.77 0.02 0.00 0.00 177.57 179.20 1nu4 h SER 63 N 0.57 0.48 -0.48 0.57 4.64 -1.96 -0.72 113.55 116.66 1nu4 h SER 63 Ca 0.15 -0.03 -0.13 0.00 -0.47 0.00 0.00 61.79 61.31 1nu4 h SER 63 Cb 0.06 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.01 1nu4 h SER 63 CO -0.02 0.39 -0.18 0.28 -0.87 0.00 0.00 176.83 176.42 1nu4 h SER 64 N 0.55 1.00 -0.37 4.97 0.02 -1.62 -1.29 113.55 116.81 1nu4 h SER 64 Ca 0.15 -0.36 -0.03 0.00 -0.84 0.00 0.00 61.79 60.70 1nu4 h SER 64 Cb 0.01 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.25 1nu4 h SER 64 CO -0.03 1.16 0.10 0.00 -1.14 0.00 0.00 176.83 176.92 1nu4 h ALA 65 N 0.92 0.49 -0.32 3.77 0.00 -1.25 -1.43 119.26 121.44 1nu4 h ALA 65 Ca 0.12 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1nu4 h ALA 65 Cb 0.75 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1nu4 h ALA 65 CO 0.06 0.15 0.19 1.15 0.00 0.00 0.00 179.25 180.81 1nu4 h THR 66 N 0.46 1.11 -0.74 0.00 2.02 -0.98 -0.54 112.91 114.25 1nu4 h THR 66 Ca 0.12 -0.27 -0.05 0.00 0.77 0.00 0.00 66.41 66.98 1nu4 h THR 66 Cb 0.29 0.71 -0.03 0.00 -1.74 0.00 0.00 68.15 67.38 1nu4 h THR 66 CO -0.00 0.11 0.28 -1.13 0.37 0.00 0.00 175.52 175.15 1nu4 h ASN 67 N 0.41 1.03 -0.40 4.18 -1.24 -1.14 -1.02 115.58 117.40 1nu4 h ASN 67 Ca 0.11 -0.18 0.00 0.00 0.71 0.00 0.00 56.30 56.94 1nu4 h ASN 67 Cb 0.02 -0.27 -0.02 0.00 0.73 0.00 0.00 38.32 38.78 1nu4 h ASN 67 CO -0.02 0.94 0.26 0.00 -1.29 0.00 0.00 177.43 177.31 1nu4 h ALA 68 N 1.14 0.51 -0.72 1.57 0.00 -0.98 0.39 119.26 121.17 1nu4 h ALA 68 Ca 0.24 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 1nu4 h ALA 68 Cb 0.24 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1nu4 h ALA 68 CO -0.02 -0.02 0.29 1.25 0.00 0.00 0.00 179.25 180.75 1nu4 h LEU 69 N 0.54 0.99 -0.17 0.00 6.46 -0.77 -0.22 115.31 122.14 1nu4 h LEU 69 Ca 0.15 -0.17 -0.01 0.00 -0.12 0.00 0.00 57.88 57.73 1nu4 h LEU 69 Cb -0.04 -0.26 -0.00 0.00 -0.73 0.00 0.00 40.66 39.63 1nu4 h LEU 69 CO -0.03 0.89 -0.03 0.03 -0.62 0.00 0.00 178.44 178.68 1nu4 h ARG 70 N 1.03 0.00 0.00 1.25 3.08 -0.93 -3.16 114.38 115.65 1nu4 h ARG 70 Ca 0.24 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 59.92 1nu4 h ARG 70 Cb 0.21 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.19 1nu4 h ARG 70 CO -0.02 0.03 -2.37 0.43 -1.07 0.00 0.00 179.97 176.97 1nu4 n SER 71 N -3.11 0.62 -1.02 7.04 7.64 0.10 -4.51 113.62 120.38 1nu4 n SER 71 Ca 0.03 -0.01 0.11 0.00 1.01 0.00 0.00 58.87 60.02 1nu4 n SER 71 Cb 0.52 0.53 0.16 0.00 -1.01 0.00 0.00 64.21 64.40 1nu4 n SER 71 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1nu4 n MET 72 N -2.92 2.31 -1.70 1.43 2.81 -0.11 -4.88 117.12 114.07 1nu4 n MET 72 Ca -0.36 -2.07 -0.44 0.00 -1.81 0.00 0.00 57.70 53.03 1nu4 n MET 72 Cb 1.11 -1.47 -0.03 0.00 -0.71 0.00 0.00 33.22 32.12 1nu4 n MET 72 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 1nu4 n GLN 73 N 1.36 2.59 -0.91 0.03 -0.06 -1.19 -1.46 117.38 117.73 1nu4 n GLN 73 Ca 0.16 0.94 0.00 0.00 -2.00 0.00 0.00 57.00 56.10 1nu4 n GLN 73 Cb 0.58 -2.78 0.00 0.00 -4.06 0.00 0.00 30.24 23.98 1nu4 n GLN 73 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1nu4 n GLY 74 N 3.93 0.58 3.72 1.69 0.00 0.97 -4.93 105.19 111.16 1nu4 n GLY 74 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1nu4 n GLY 74 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1nu4 s PHE 75 N -2.61 3.00 -0.91 1.61 2.19 -0.54 -4.20 117.98 116.53 1nu4 s PHE 75 Ca 0.00 0.57 -0.24 0.00 0.33 0.00 0.00 56.93 57.58 1nu4 s PHE 75 Cb 0.00 -3.96 -0.05 0.00 -1.31 0.00 0.00 43.02 37.71 1nu4 s PHE 75 CO 0.00 -3.57 1.94 -1.25 1.83 0.00 0.00 175.22 174.17 1nu4 s PRO 76 N 1.25 2.58 -0.40 10.12 0.04 -1.26 -1.07 135.00 146.26 1nu4 s PRO 76 Ca 0.71 -0.31 -0.17 0.00 0.04 0.00 0.00 61.00 61.26 1nu4 s PRO 76 Cb -0.44 -5.07 0.01 0.00 0.04 0.00 0.00 34.50 29.04 1nu4 s PRO 76 CO 0.31 -3.36 0.45 0.12 0.04 0.00 0.00 177.00 174.56 1nu4 s PHE 77 N 9.98 3.17 -1.33 0.56 5.36 -0.01 -4.24 117.98 131.47 1nu4 s PHE 77 Ca 0.70 -0.20 -0.03 0.00 -0.96 0.00 0.00 56.93 56.43 1nu4 s PHE 77 Cb -0.06 -2.89 0.02 0.00 -0.34 0.00 0.00 43.02 39.74 1nu4 s PHE 77 CO -0.01 -0.64 0.84 0.66 -1.46 0.00 0.00 175.22 174.61 1nu4 n TYR 78 N 5.63 -2.10 -1.01 10.12 4.01 -1.26 -2.00 117.16 130.55 1nu4 n TYR 78 Ca -0.07 0.88 -0.00 0.00 -0.16 0.00 0.00 57.90 58.55 1nu4 n TYR 78 Cb 0.48 -4.50 -0.00 0.00 -0.31 0.00 0.00 39.34 35.01 1nu4 n TYR 78 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1nu4 n ASP 79 N -3.03 -4.42 -3.92 7.72 9.92 -1.26 -4.80 116.55 116.75 1nu4 n ASP 79 Ca -0.22 0.01 -0.21 0.00 -0.53 0.00 0.00 54.79 53.84 1nu4 n ASP 79 Cb 0.64 -1.95 -0.16 0.00 -0.64 0.00 0.00 41.12 39.01 1nu4 n ASP 79 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1nu4 s LYS 80 N -1.00 1.02 0.11 -1.24 1.02 -0.85 -5.04 119.74 113.76 1nu4 s LYS 80 Ca 0.00 -0.18 -0.31 0.00 0.02 0.00 0.00 55.97 55.50 1nu4 s LYS 80 Cb 0.00 -0.96 -0.09 0.00 -0.52 0.00 0.00 37.83 36.26 1nu4 s LYS 80 CO 0.00 -0.05 1.69 -2.14 -0.92 0.00 0.00 175.35 173.93 1nu4 s PRO 81 N 0.84 4.18 0.34 -1.68 0.02 -1.26 -0.83 135.00 136.60 1nu4 s PRO 81 Ca -0.12 2.43 -0.27 0.00 0.02 0.00 0.00 61.00 63.06 1nu4 s PRO 81 Cb -0.15 -3.48 -0.09 0.00 0.02 0.00 0.00 34.50 30.81 1nu4 s PRO 81 CO 0.01 -0.74 1.10 -1.64 -0.33 0.00 0.00 177.00 175.40 1nu4 s MET 82 N 2.28 4.40 -0.19 5.54 -1.94 -0.23 -4.81 119.30 124.34 1nu4 s MET 82 Ca 0.75 1.73 -0.01 0.00 -1.71 0.00 0.00 55.69 56.45 1nu4 s MET 82 Cb -0.43 -2.91 0.00 0.00 2.01 0.00 0.00 34.83 33.50 1nu4 s MET 82 CO 0.33 0.01 -0.12 1.03 -0.01 0.00 0.00 175.02 176.26 1nu4 s ARG 83 N -1.91 3.22 -0.00 2.03 1.81 -0.89 -0.02 118.95 123.19 1nu4 s ARG 83 Ca 0.51 -0.72 0.07 0.00 -1.72 0.00 0.00 55.73 53.87 1nu4 s ARG 83 Cb -0.29 -2.77 -0.02 0.00 -0.45 0.00 0.00 34.95 31.43 1nu4 s ARG 83 CO 0.37 -0.13 -0.22 0.42 -0.68 0.00 0.00 175.30 175.06 1nu4 s ILE 84 N 1.21 1.72 0.16 1.52 1.01 -1.26 -0.40 121.20 125.15 1nu4 s ILE 84 Ca 0.02 -0.99 -0.13 0.00 0.00 0.00 0.00 60.65 59.54 1nu4 s ILE 84 Cb -0.14 -1.44 0.02 0.00 0.01 0.00 0.00 42.46 40.90 1nu4 s ILE 84 CO -0.05 0.43 0.38 0.00 0.00 0.00 0.00 174.94 175.70 1nu4 s GLN 85 N -0.65 1.17 0.43 2.79 -2.07 -0.53 -4.98 119.66 115.82 1nu4 s GLN 85 Ca 0.08 -0.93 -0.23 0.00 -1.82 0.00 0.00 55.36 52.47 1nu4 s GLN 85 Cb -0.08 0.44 -0.09 0.00 -1.09 0.00 0.00 33.01 32.19 1nu4 s GLN 85 CO -0.00 -0.46 1.06 0.71 -1.32 0.00 0.00 175.29 175.28 1nu4 s TYR 86 N -3.88 3.14 0.50 9.60 2.02 -1.26 0.17 117.35 127.62 1nu4 s TYR 86 Ca 0.09 1.61 -0.22 0.00 -0.37 0.00 0.00 57.07 58.19 1nu4 s TYR 86 Cb 0.02 -3.13 -0.06 0.00 -0.40 0.00 0.00 41.96 38.38 1nu4 s TYR 86 CO -0.05 -0.78 1.19 0.00 -1.57 0.00 0.00 175.55 174.34 1nu4 s ALA 87 N -1.76 2.87 0.23 3.71 0.00 -0.17 -4.56 121.76 122.08 1nu4 s ALA 87 Ca 0.62 0.98 -0.08 0.00 0.00 0.00 0.00 51.96 53.48 1nu4 s ALA 87 Cb -0.21 -3.41 0.23 0.00 0.00 0.00 0.00 23.12 19.74 1nu4 s ALA 87 CO 0.26 -0.82 1.89 0.87 0.00 0.00 0.00 175.76 177.96 1nu4 h LYS 88 N 1.72 1.10 -4.70 0.00 1.57 -1.93 -3.40 116.57 110.93 1nu4 h LYS 88 Ca -0.50 -0.07 -0.58 0.00 -1.87 0.00 0.00 60.65 57.64 1nu4 h LYS 88 Cb 1.26 -0.25 -0.35 0.00 0.08 0.00 0.00 32.23 32.98 1nu4 h LYS 88 CO 0.59 0.73 -0.83 0.95 -0.57 0.00 0.00 179.45 180.31 1nu4 s THR 89 N -6.11 1.44 -0.01 -0.16 -4.23 -1.26 -5.09 115.64 100.22 1nu4 s THR 89 Ca -0.13 -0.61 -0.30 0.00 -1.18 0.00 0.00 61.69 59.47 1nu4 s THR 89 Cb 0.17 -1.33 -0.07 0.00 1.34 0.00 0.00 72.50 72.61 1nu4 s THR 89 CO 0.80 0.43 1.68 -0.62 -0.54 0.00 0.00 174.62 176.37 1nu4 s ASP 90 N 1.01 6.63 0.04 3.99 -1.08 -1.26 -4.87 116.67 121.14 1nu4 s ASP 90 Ca -0.06 2.34 -0.38 0.00 -0.52 0.00 0.00 52.55 53.93 1nu4 s ASP 90 Cb -0.15 -2.54 -0.19 0.00 -1.46 0.00 0.00 42.92 38.58 1nu4 s ASP 90 CO -0.02 -0.92 1.02 -0.24 0.52 0.00 0.00 175.17 175.53 1nu4 n SER 91 N 6.75 -0.02 0.00 -0.34 2.88 -1.26 -4.75 113.62 116.88 1nu4 n SER 91 Ca 0.17 1.15 0.04 0.00 -1.33 0.00 0.00 58.87 58.91 1nu4 n SER 91 Cb 0.42 -0.95 0.23 0.00 -0.75 0.00 0.00 64.21 63.15 1nu4 n SER 91 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1nu4 n ASP 92 N 1.66 0.00 0.24 -3.46 5.75 -1.26 -1.75 116.55 117.73 1nu4 n ASP 92 Ca 0.19 0.18 0.08 0.00 -0.01 0.00 0.00 54.79 55.23 1nu4 n ASP 92 Cb 0.12 -0.30 0.60 0.00 -1.03 0.00 0.00 41.12 40.51 1nu4 n ASP 92 CO 0.00 0.00 0.00 0.40 -0.11 0.00 0.00 177.20 177.49 1nu4 h ILE 93 N 0.00 0.93 0.04 2.12 2.04 -1.99 -2.01 117.51 118.65 1nu4 h ILE 93 Ca 0.00 -0.50 -0.00 0.00 1.00 0.00 0.00 64.86 65.35 1nu4 h ILE 93 Cb 0.09 1.29 0.00 0.00 -0.74 0.00 0.00 36.82 37.46 1nu4 h ILE 93 CO 0.00 0.14 -0.02 0.40 0.00 0.00 0.00 178.15 178.67 1nu4 h ILE 94 N 0.00 0.96 -0.54 -0.67 1.08 -1.68 0.86 117.51 117.52 1nu4 h ILE 94 Ca -0.00 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.45 1nu4 h ILE 94 Cb 0.27 0.96 -0.03 0.00 -3.07 0.00 0.00 36.82 34.96 1nu4 h ILE 94 CO 0.02 0.00 0.27 0.00 -0.69 0.00 0.00 178.15 177.75 1nu4 h ALA 95 N 0.91 0.70 -0.06 1.87 0.00 -1.64 -3.12 119.26 117.92 1nu4 h ALA 95 Ca -0.01 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1nu4 h ALA 95 Cb 0.04 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1nu4 h ALA 95 CO 0.01 0.25 0.00 0.87 0.00 0.00 0.00 179.25 180.38 1nu4 h LYS 96 N 0.73 0.10 0.00 0.00 1.57 -1.01 -3.53 116.57 114.43 1nu4 h LYS 96 Ca 0.19 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1nu4 h LYS 96 Cb 0.10 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1nu4 h LYS 96 CO -0.03 0.37 0.00 -1.33 -0.57 0.00 0.00 179.45 177.90