#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m5p s ARG 7 N 0.00 4.56 0.48 -2.82 3.52 -1.26 -4.95 118.95 118.48 1m5p s ARG 7 Ca 0.00 1.83 -0.23 0.00 -0.13 0.00 0.00 55.73 57.20 1m5p s ARG 7 Cb 0.00 -3.23 -0.08 0.00 -1.56 0.00 0.00 34.95 30.08 1m5p s ARG 7 CO 0.00 0.04 1.06 -2.30 -0.81 0.00 0.00 175.30 173.29 1m5p n PRO 8 N 2.02 1.34 -3.99 5.12 -0.02 -1.26 -4.80 135.00 133.41 1m5p n PRO 8 Ca 0.02 0.49 -0.09 0.00 -2.02 0.00 0.00 63.50 61.90 1m5p n PRO 8 Cb 0.45 -2.17 -0.08 0.00 -0.02 0.00 0.00 33.50 31.68 1m5p n PRO 8 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1m5p s ASN 9 N -0.86 0.22 0.43 2.55 3.84 -1.26 -5.03 114.94 114.83 1m5p s ASN 9 Ca 0.67 -0.88 0.15 0.00 0.21 0.00 0.00 52.86 53.01 1m5p s ASN 9 Cb -0.50 0.32 0.96 0.00 -0.55 0.00 0.00 41.25 41.49 1m5p s ASN 9 CO 0.54 -0.74 1.95 0.45 -2.79 0.00 0.00 177.10 176.51 1m5p h HIS 10 N 2.82 0.00 -3.18 0.43 3.86 -1.90 -3.44 115.15 113.74 1m5p h HIS 10 Ca -0.34 0.00 -0.65 0.00 -1.16 0.00 0.00 60.37 58.23 1m5p h HIS 10 Cb 1.19 0.00 -0.10 0.00 1.06 0.00 0.00 27.41 29.57 1m5p h HIS 10 CO 0.45 0.23 -0.60 0.99 0.86 0.00 0.00 177.93 179.86 1m5p s THR 11 N -4.45 4.56 -0.09 2.45 2.01 -1.26 -1.02 115.64 117.84 1m5p s THR 11 Ca -0.03 -0.64 0.04 0.00 0.31 0.00 0.00 61.69 61.37 1m5p s THR 11 Cb 0.15 -3.15 -0.00 0.00 0.01 0.00 0.00 72.50 69.51 1m5p s THR 11 CO 0.69 0.22 -0.23 0.27 -0.69 0.00 0.00 174.62 174.88 1m5p s ILE 12 N -1.30 2.16 -0.11 1.82 -4.36 -0.83 -0.98 121.20 117.60 1m5p s ILE 12 Ca 0.26 -1.00 -0.16 0.00 -0.26 0.00 0.00 60.65 59.49 1m5p s ILE 12 Cb -0.12 -1.82 -0.05 0.00 1.25 0.00 0.00 42.46 41.73 1m5p s ILE 12 CO 0.19 0.56 0.41 -0.47 0.24 0.00 0.00 174.94 175.87 1m5p s TYR 13 N 0.19 3.53 -0.06 1.37 6.14 0.36 -2.43 117.35 126.46 1m5p s TYR 13 Ca -0.14 0.82 0.03 0.00 0.64 0.00 0.00 57.07 58.43 1m5p s TYR 13 Cb -0.17 -2.45 0.00 0.00 0.42 0.00 0.00 41.96 39.77 1m5p s TYR 13 CO 0.07 0.27 -0.16 0.42 0.64 0.00 0.00 175.55 176.79 1m5p s ILE 14 N 0.29 1.41 0.31 3.14 1.01 -0.73 -0.20 121.20 126.43 1m5p s ILE 14 Ca 0.23 -0.67 0.00 0.00 0.00 0.00 0.00 60.65 60.22 1m5p s ILE 14 Cb -0.15 -1.24 -0.02 0.00 0.01 0.00 0.00 42.46 41.07 1m5p s ILE 14 CO 0.09 0.41 0.36 0.54 0.00 0.00 0.00 174.94 176.34 1m5p s ASN 15 N 0.35 1.00 0.00 3.58 6.03 -0.06 -1.30 114.94 124.53 1m5p s ASN 15 Ca -0.11 -1.53 0.00 0.00 -1.03 0.00 0.00 52.86 50.19 1m5p s ASN 15 Cb -0.14 0.58 0.00 0.00 -3.03 0.00 0.00 41.25 38.66 1m5p s ASN 15 CO 0.04 -1.14 0.00 -3.20 -2.03 0.00 0.00 177.10 170.77 1m5p n ASN 16 N -1.22 -1.23 -4.87 3.54 5.15 -0.79 -0.78 115.26 115.06 1m5p n ASN 16 Ca 0.03 0.00 -0.31 0.00 -0.60 0.00 0.00 54.58 53.70 1m5p n ASN 16 Cb 0.62 -0.47 -0.04 0.00 -0.53 0.00 0.00 39.78 39.37 1m5p n ASN 16 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1m5p s LEU 17 N -0.29 3.90 -0.41 1.20 1.43 -0.87 -4.49 118.68 119.15 1m5p s LEU 17 Ca 0.00 1.14 -0.28 0.00 -1.03 0.00 0.00 54.13 53.96 1m5p s LEU 17 Cb 0.00 -4.00 -0.01 0.00 0.03 0.00 0.00 46.19 42.21 1m5p s LEU 17 CO 0.00 -0.34 1.72 0.21 0.23 0.00 0.00 176.35 178.18 1m5p s ASN 18 N -2.93 5.85 0.17 2.29 3.84 -1.26 -4.58 114.94 118.32 1m5p s ASN 18 Ca 0.51 0.97 0.12 0.00 0.21 0.00 0.00 52.86 54.67 1m5p s ASN 18 Cb -0.10 -2.53 0.64 0.00 -0.55 0.00 0.00 41.25 38.70 1m5p s ASN 18 CO 0.28 -1.80 1.37 -0.62 -2.79 0.00 0.00 177.10 173.53 1m5p n GLU 19 N 8.53 0.08 0.00 0.43 1.02 -1.26 -2.34 120.64 127.10 1m5p n GLU 19 Ca 0.21 0.57 0.14 0.00 -0.02 0.00 0.00 57.16 58.05 1m5p n GLU 19 Cb 0.48 -1.75 0.52 0.00 -0.02 0.00 0.00 31.44 30.67 1m5p n GLU 19 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1m5p n LYS 20 N -1.91 0.28 -2.84 3.49 5.02 -1.26 -4.86 118.16 116.08 1m5p n LYS 20 Ca -0.01 -0.10 -0.39 0.00 -2.02 0.00 0.00 58.31 55.80 1m5p n LYS 20 Cb 0.03 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.48 1m5p n LYS 20 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1m5p s ILE 21 N -2.78 4.23 0.58 -0.18 1.09 -0.99 -5.03 121.20 118.11 1m5p s ILE 21 Ca 0.19 1.85 -0.18 0.00 -1.10 0.00 0.00 60.65 61.41 1m5p s ILE 21 Cb 0.19 -4.15 -0.04 0.00 -1.06 0.00 0.00 42.46 37.40 1m5p s ILE 21 CO 0.55 0.37 1.12 -0.54 -0.10 0.00 0.00 174.94 176.34 1m5p s LYS 22 N -1.51 3.21 0.12 2.79 3.01 -1.26 -4.79 119.74 121.30 1m5p s LYS 22 Ca 0.43 1.53 -0.30 0.00 -1.01 0.00 0.00 55.97 56.62 1m5p s LYS 22 Cb -0.22 -1.99 -0.09 0.00 -1.01 0.00 0.00 37.83 34.52 1m5p s LYS 22 CO 0.27 -0.95 1.59 -0.22 0.51 0.00 0.00 175.35 176.56 1m5p h LYS 23 N 0.85 -0.57 -0.28 1.68 3.64 -1.96 0.50 116.57 120.43 1m5p h LYS 23 Ca -0.49 0.04 0.05 0.00 -1.27 0.00 0.00 60.65 58.98 1m5p h LYS 23 Cb 1.25 0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 33.16 1m5p h LYS 23 CO 0.56 -0.38 -0.03 0.38 -2.27 0.00 0.00 179.45 177.71 1m5p h ASP 24 N -0.60 -0.18 0.09 4.20 2.03 -1.98 0.98 116.42 120.96 1m5p h ASP 24 Ca 0.04 0.07 0.02 0.00 -0.73 0.00 0.00 57.03 56.43 1m5p h ASP 24 Cb 0.65 0.14 -0.05 0.00 -0.83 0.00 0.00 39.33 39.24 1m5p h ASP 24 CO -0.27 -0.06 -0.42 -0.08 -1.03 0.00 0.00 179.24 177.39 1m5p h GLU 25 N 0.05 -0.61 0.16 4.15 4.57 -1.81 -0.92 114.58 120.16 1m5p h GLU 25 Ca 0.14 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.36 1m5p h GLU 25 Cb 0.19 0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.91 1m5p h GLU 25 CO -0.26 -0.41 -0.16 1.25 -1.18 0.00 0.00 179.01 178.26 1m5p h LEU 26 N -0.63 -0.43 0.05 1.64 5.85 0.80 -1.70 115.31 120.88 1m5p h LEU 26 Ca 0.03 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.80 1m5p h LEU 26 Cb 0.67 0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.81 1m5p h LEU 26 CO -0.26 -0.24 -0.47 0.50 -0.34 0.00 0.00 178.44 177.62 1m5p h LYS 27 N -0.35 -0.60 -0.44 1.25 3.64 0.11 -0.86 116.57 119.31 1m5p h LYS 27 Ca 0.00 0.04 0.07 0.00 -1.27 0.00 0.00 60.65 59.49 1m5p h LYS 27 Cb 0.34 0.14 -0.09 0.00 -0.41 0.00 0.00 32.23 32.20 1m5p h LYS 27 CO -0.04 -0.40 -0.46 -0.22 -2.27 0.00 0.00 179.45 176.06 1m5p h LYS 28 N -0.62 -0.31 -0.21 1.90 3.64 -1.07 -0.85 116.57 119.05 1m5p h LYS 28 Ca 0.00 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.45 1m5p h LYS 28 Cb 0.65 0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 32.49 1m5p h LYS 28 CO -0.29 -0.21 -0.09 0.77 -2.27 0.00 0.00 179.45 177.37 1m5p h SER 29 N -0.32 -0.29 -0.65 4.20 0.02 -1.13 -1.18 113.55 114.20 1m5p h SER 29 Ca 0.13 0.08 0.14 0.00 -0.84 0.00 0.00 61.79 61.30 1m5p h SER 29 Cb 0.58 0.17 -0.11 0.00 0.14 0.00 0.00 62.40 63.19 1m5p h SER 29 CO -0.60 -0.11 0.04 -0.07 -1.14 0.00 0.00 176.83 174.94 1m5p h LEU 30 N -0.05 -0.22 -1.19 5.07 3.38 -0.34 0.15 115.31 122.11 1m5p h LEU 30 Ca 0.11 0.15 -0.00 0.00 0.09 0.00 0.00 57.88 58.23 1m5p h LEU 30 Cb 0.22 0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 1m5p h LEU 30 CO -0.24 -0.10 0.46 -0.74 0.09 0.00 0.00 178.44 177.90 1m5p h HIS 31 N 0.15 0.98 -0.55 1.13 2.76 -0.40 0.09 115.15 119.30 1m5p h HIS 31 Ca 0.34 0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.44 1m5p h HIS 31 Cb 0.57 -0.32 -0.02 0.00 1.55 0.00 0.00 27.41 29.18 1m5p h HIS 31 CO -0.35 0.65 0.03 0.00 -1.30 0.00 0.00 177.93 176.96 1m5p h ALA 32 N 1.47 0.74 0.00 5.26 0.00 0.37 -0.09 119.26 127.02 1m5p h ALA 32 Ca 0.27 -0.28 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 1m5p h ALA 32 Cb -0.05 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1m5p h ALA 32 CO -0.05 0.54 -0.61 0.82 0.00 0.00 0.00 179.25 179.95 1m5p h ILE 33 N 0.84 1.11 0.00 0.00 5.03 -0.62 -3.37 117.51 120.50 1m5p h ILE 33 Ca 0.16 -2.38 0.00 0.00 -0.12 0.00 0.00 64.86 62.53 1m5p h ILE 33 Cb 0.50 2.42 0.00 0.00 -3.03 0.00 0.00 36.82 36.70 1m5p h ILE 33 CO 0.02 0.59 -1.29 0.49 -0.68 0.00 0.00 178.15 177.29 1m5p n PHE 34 N -3.35 0.00 0.28 1.37 3.72 -0.01 -4.64 117.46 114.83 1m5p n PHE 34 Ca 0.01 0.00 0.18 0.00 -0.05 0.00 0.00 57.45 57.59 1m5p n PHE 34 Cb 0.73 -0.21 0.93 0.00 -0.94 0.00 0.00 39.48 40.00 1m5p n PHE 34 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1m5p h SER 35 N 0.00 0.00 0.43 4.37 4.64 -1.18 -2.63 113.55 119.18 1m5p h SER 35 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1m5p h SER 35 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 1m5p h SER 35 CO 0.00 0.00 0.00 -2.11 -0.87 0.00 0.00 176.83 173.85 1m5p n ARG 36 N -3.35 0.05 0.00 4.77 1.85 -1.26 -2.63 116.66 116.09 1m5p n ARG 36 Ca -0.01 0.24 0.12 0.00 -1.00 0.00 0.00 57.85 57.20 1m5p n ARG 36 Cb 0.28 -1.50 0.22 0.00 -1.05 0.00 0.00 32.46 30.41 1m5p n ARG 36 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1m5p n PHE 37 N -1.45 0.00 0.00 2.89 3.72 -0.99 -5.03 117.46 116.60 1m5p n PHE 37 Ca 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 1m5p n PHE 37 Cb 0.15 -0.13 0.00 0.00 -0.94 0.00 0.00 39.48 38.56 1m5p n PHE 37 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1m5p n GLY 38 N 1.42 2.92 3.66 1.37 0.00 -1.08 -4.49 105.19 109.00 1m5p n GLY 38 Ca 0.09 -1.68 -0.44 0.00 0.00 0.00 0.00 46.02 43.98 1m5p n GLY 38 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1m5p n GLN 39 N -1.90 1.88 -3.87 1.61 7.27 -1.26 -4.74 117.38 116.37 1m5p n GLN 39 Ca 0.00 0.66 -0.36 0.00 0.07 0.00 0.00 57.00 57.38 1m5p n GLN 39 Cb 0.00 -2.22 -0.13 0.00 2.41 0.00 0.00 30.24 30.29 1m5p n GLN 39 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 1m5p s ILE 40 N -0.68 3.25 0.19 1.69 1.01 -1.26 -1.94 121.20 123.45 1m5p s ILE 40 Ca 0.61 -1.16 0.17 0.00 0.00 0.00 0.00 60.65 60.28 1m5p s ILE 40 Cb -0.64 -2.78 0.10 0.00 0.01 0.00 0.00 42.46 39.15 1m5p s ILE 40 CO 0.57 -0.02 1.71 -0.07 0.00 0.00 0.00 174.94 177.12 1m5p h LEU 41 N 8.08 0.00 -7.06 2.97 3.38 -1.38 -3.48 115.31 117.82 1m5p h LEU 41 Ca -0.26 0.00 0.28 0.00 0.09 0.00 0.00 57.88 58.00 1m5p h LEU 41 Cb 1.08 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.66 1m5p h LEU 41 CO 0.56 0.42 0.83 -0.62 0.09 0.00 0.00 178.44 179.73 1m5p s ASP 42 N -6.52 -0.10 -0.12 -0.43 -1.08 -1.18 -5.02 116.67 102.22 1m5p s ASP 42 Ca -0.00 -0.04 -0.03 0.00 -0.52 0.00 0.00 52.55 51.96 1m5p s ASP 42 Cb 0.11 0.14 0.05 0.00 -1.46 0.00 0.00 42.92 41.75 1m5p s ASP 42 CO 0.70 -0.23 0.06 -0.63 0.52 0.00 0.00 175.17 175.59 1m5p s ILE 43 N -2.38 0.06 -0.26 4.11 1.01 -1.26 -0.81 121.20 121.67 1m5p s ILE 43 Ca 0.11 0.00 -0.10 0.00 0.00 0.00 0.00 60.65 60.66 1m5p s ILE 43 Cb 0.01 -0.50 -0.05 0.00 0.01 0.00 0.00 42.46 41.93 1m5p s ILE 43 CO -0.04 -0.05 0.15 -0.76 0.00 0.00 0.00 174.94 174.24 1m5p s LEU 44 N 2.08 3.93 -0.03 2.97 2.01 0.70 -4.93 118.68 125.40 1m5p s LEU 44 Ca 0.03 -0.01 0.02 0.00 0.01 0.00 0.00 54.13 54.18 1m5p s LEU 44 Cb -0.14 -2.07 0.01 0.00 0.01 0.00 0.00 46.19 44.00 1m5p s LEU 44 CO -0.06 -0.00 -0.06 -0.69 1.01 0.00 0.00 176.35 176.54 1m5p s VAL 45 N 1.47 0.60 -0.02 -1.59 1.01 -1.26 -1.16 120.40 119.45 1m5p s VAL 45 Ca 0.07 -0.21 -0.01 0.00 0.00 0.00 0.00 61.98 61.83 1m5p s VAL 45 Cb -0.15 -0.58 0.02 0.00 0.00 0.00 0.00 36.38 35.67 1m5p s VAL 45 CO 0.07 0.22 0.05 -0.55 0.00 0.00 0.00 175.10 174.89 1m5p s SER 46 N 0.55 -0.01 -0.23 3.32 0.15 -1.26 -5.03 113.70 111.19 1m5p s SER 46 Ca -0.08 0.10 0.10 0.00 0.70 0.00 0.00 55.95 56.77 1m5p s SER 46 Cb -0.11 0.04 0.67 0.00 -1.71 0.00 0.00 66.02 64.91 1m5p s SER 46 CO 0.00 -0.08 1.58 0.54 1.20 0.00 0.00 173.24 176.49 1m5p n ARG 47 N 3.68 3.93 -1.69 5.44 5.12 -1.26 -2.45 116.66 129.43 1m5p n ARG 47 Ca -0.21 -2.62 -0.32 0.00 -1.93 0.00 0.00 57.85 52.77 1m5p n ARG 47 Cb 0.55 -2.12 0.04 0.00 -1.16 0.00 0.00 32.46 29.77 1m5p n ARG 47 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1m5p s SER 48 N -0.69 5.39 0.19 0.55 1.04 -1.26 -4.55 113.70 114.37 1m5p s SER 48 Ca 0.46 1.72 -0.14 0.00 0.48 0.00 0.00 55.95 58.47 1m5p s SER 48 Cb 0.36 -2.51 0.21 0.00 0.10 0.00 0.00 66.02 64.18 1m5p s SER 48 CO 0.13 -1.44 1.28 -0.11 0.98 0.00 0.00 173.24 174.08 1m5p n LEU 49 N -2.81 -0.52 0.05 2.42 7.94 -1.26 -0.48 117.00 122.34 1m5p n LEU 49 Ca 0.08 1.44 0.13 0.00 -1.11 0.00 0.00 56.01 56.55 1m5p n LEU 49 Cb 0.53 -0.34 0.41 0.00 0.53 0.00 0.00 43.42 44.55 1m5p n LEU 49 CO 0.52 -1.30 0.76 0.29 -1.11 0.00 0.00 177.39 176.55 1m5p n LYS 50 N -5.22 0.15 0.00 1.96 4.76 -1.26 -4.07 118.16 114.47 1m5p n LYS 50 Ca 0.09 0.10 0.02 0.00 -2.87 0.00 0.00 58.31 55.64 1m5p n LYS 50 Cb 0.34 -1.65 -0.00 0.00 -1.84 0.00 0.00 35.03 31.88 1m5p n LYS 50 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 1m5p n MET 51 N -1.90 2.67 -2.02 1.97 2.81 0.02 -5.03 117.12 115.64 1m5p n MET 51 Ca 0.06 -0.36 -0.38 0.00 -1.81 0.00 0.00 57.70 55.20 1m5p n MET 51 Cb 0.39 -0.86 0.01 0.00 -0.71 0.00 0.00 33.22 32.05 1m5p n MET 51 CO 0.00 0.00 0.00 -0.98 1.51 0.00 0.00 175.97 176.50 1m5p s ARG 52 N -0.78 3.60 0.00 0.03 1.70 0.36 -3.00 118.95 120.86 1m5p s ARG 52 Ca 0.03 2.06 0.00 0.00 -0.47 0.00 0.00 55.73 57.34 1m5p s ARG 52 Cb 0.03 -2.46 0.00 0.00 -0.57 0.00 0.00 34.95 31.95 1m5p s ARG 52 CO 0.08 -0.77 0.00 0.41 -1.08 0.00 0.00 175.30 173.95 1m5p n GLY 53 N 0.60 0.71 3.21 3.88 0.00 -1.26 -5.01 105.19 107.32 1m5p n GLY 53 Ca 0.07 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.97 1m5p n GLY 53 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1m5p s GLN 54 N -0.33 1.19 -0.24 1.61 -0.21 -1.16 -1.89 119.66 118.63 1m5p s GLN 54 Ca 0.00 -1.62 -0.26 0.00 0.02 0.00 0.00 55.36 53.50 1m5p s GLN 54 Cb 0.00 0.18 0.11 0.00 1.00 0.00 0.00 33.01 34.30 1m5p s GLN 54 CO 0.00 -0.35 0.92 0.00 -2.12 0.00 0.00 175.29 173.74 1m5p s ALA 55 N -4.08 -1.90 -0.11 6.09 0.00 -0.42 -4.40 121.76 116.94 1m5p s ALA 55 Ca 0.36 1.83 -0.03 0.00 0.00 0.00 0.00 51.96 54.13 1m5p s ALA 55 Cb 0.07 -1.17 -0.03 0.00 0.00 0.00 0.00 23.12 21.99 1m5p s ALA 55 CO 0.11 -0.28 0.02 -0.06 0.00 0.00 0.00 175.76 175.54 1m5p s PHE 56 N -0.02 3.20 -0.19 0.00 0.40 -0.31 -1.78 117.98 119.29 1m5p s PHE 56 Ca 0.01 0.16 0.00 0.00 -0.60 0.00 0.00 56.93 56.50 1m5p s PHE 56 Cb -0.04 -1.85 0.04 0.00 0.51 0.00 0.00 43.02 41.68 1m5p s PHE 56 CO -0.02 0.41 -0.07 0.08 0.70 0.00 0.00 175.22 176.32 1m5p s VAL 57 N -0.63 1.35 -0.25 -0.44 1.01 -1.02 -0.22 120.40 120.20 1m5p s VAL 57 Ca 0.10 -0.83 -0.14 0.00 0.00 0.00 0.00 61.98 61.11 1m5p s VAL 57 Cb -0.12 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.72 1m5p s VAL 57 CO 0.02 0.11 0.33 -0.63 0.00 0.00 0.00 175.10 174.94 1m5p s ILE 58 N 1.52 5.22 0.09 2.22 1.01 0.01 -1.96 121.20 129.31 1m5p s ILE 58 Ca -0.01 0.50 0.01 0.00 0.00 0.00 0.00 60.65 61.15 1m5p s ILE 58 Cb -0.16 -3.66 -0.04 0.00 0.01 0.00 0.00 42.46 38.61 1m5p s ILE 58 CO -0.08 0.21 0.21 -0.36 0.00 0.00 0.00 174.94 174.93 1m5p s PHE 59 N 1.75 3.47 0.23 3.97 0.08 -0.19 -1.03 117.98 126.27 1m5p s PHE 59 Ca 0.14 0.19 0.15 0.00 0.12 0.00 0.00 56.93 57.53 1m5p s PHE 59 Cb -0.15 -1.71 0.57 0.00 -0.57 0.00 0.00 43.02 41.15 1m5p s PHE 59 CO 0.09 0.56 1.70 -0.22 -0.10 0.00 0.00 175.22 177.25 1m5p h LYS 60 N 2.84 0.00 -5.69 0.44 3.64 -1.68 -3.44 116.57 112.67 1m5p h LYS 60 Ca -0.46 0.00 -0.54 0.00 -1.27 0.00 0.00 60.65 58.37 1m5p h LYS 60 Cb 1.17 0.00 -0.29 0.00 -0.41 0.00 0.00 32.23 32.70 1m5p h LYS 60 CO 0.73 0.47 -0.83 -1.21 -2.27 0.00 0.00 179.45 176.33 1m5p s GLU 61 N -3.67 1.39 0.17 1.90 0.41 -1.26 -5.04 118.70 112.59 1m5p s GLU 61 Ca -0.01 -0.67 -0.11 0.00 -0.41 0.00 0.00 54.97 53.77 1m5p s GLU 61 Cb 0.12 -1.36 0.05 0.00 -1.78 0.00 0.00 34.13 31.16 1m5p s GLU 61 CO 0.72 0.37 1.66 0.28 -0.49 0.00 0.00 175.26 177.80 1m5p h VAL 62 N 4.66 1.25 -0.75 2.63 2.07 -1.86 -1.83 116.25 122.43 1m5p h VAL 62 Ca -0.37 -0.94 0.14 0.00 0.82 0.00 0.00 66.70 66.34 1m5p h VAL 62 Cb 1.15 0.77 -0.09 0.00 -1.52 0.00 0.00 31.29 31.60 1m5p h VAL 62 CO 0.48 0.34 0.29 0.77 0.02 0.00 0.00 177.57 179.47 1m5p h SER 63 N 0.82 0.26 -0.96 0.57 4.64 -1.96 0.48 113.55 117.41 1m5p h SER 63 Ca 0.17 0.11 0.11 0.00 -0.47 0.00 0.00 61.79 61.71 1m5p h SER 63 Cb 0.39 0.09 -0.07 0.00 -0.31 0.00 0.00 62.40 62.50 1m5p h SER 63 CO 0.01 0.10 0.61 0.28 -0.87 0.00 0.00 176.83 176.96 1m5p h SER 64 N 0.43 0.87 -0.11 4.97 0.02 -1.57 -2.16 113.55 116.00 1m5p h SER 64 Ca 0.41 0.03 -0.22 0.00 -0.84 0.00 0.00 61.79 61.17 1m5p h SER 64 Cb 0.62 -0.14 0.01 0.00 0.14 0.00 0.00 62.40 63.03 1m5p h SER 64 CO -0.40 0.49 -0.77 0.00 -1.14 0.00 0.00 176.83 175.00 1m5p h ALA 65 N 1.54 0.34 -0.82 3.77 0.00 0.19 -2.37 119.26 121.91 1m5p h ALA 65 Ca 0.46 -0.60 0.01 0.00 0.00 0.00 0.00 54.91 54.78 1m5p h ALA 65 Cb 0.46 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 1m5p h ALA 65 CO -0.22 0.69 0.54 1.15 0.00 0.00 0.00 179.25 181.42 1m5p h THR 66 N 0.52 1.21 -0.20 0.00 2.02 -0.67 -1.05 112.91 114.75 1m5p h THR 66 Ca -0.05 -0.38 -0.10 0.00 0.77 0.00 0.00 66.41 66.65 1m5p h THR 66 Cb 1.39 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.80 1m5p h THR 66 CO 0.16 0.20 -0.28 0.78 0.37 0.00 0.00 175.52 176.75 1m5p h ASN 67 N 1.11 0.58 -0.63 4.18 -0.26 -1.31 -2.59 115.58 116.66 1m5p h ASN 67 Ca 0.30 -0.51 -0.03 0.00 -0.56 0.00 0.00 56.30 55.50 1m5p h ASN 67 Cb -0.13 -0.17 -0.03 0.00 -1.06 0.00 0.00 38.32 36.94 1m5p h ASN 67 CO -0.07 0.98 0.29 0.00 -1.06 0.00 0.00 177.43 177.58 1m5p h ALA 68 N 0.62 1.27 -0.41 -0.83 0.00 -1.15 -1.40 119.26 117.35 1m5p h ALA 68 Ca 0.02 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1m5p h ALA 68 Cb 0.85 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1m5p h ALA 68 CO 0.06 0.55 0.12 1.25 0.00 0.00 0.00 179.25 181.24 1m5p h LEU 69 N 0.94 0.61 -0.87 0.00 5.85 -1.12 -2.08 115.31 118.64 1m5p h LEU 69 Ca 0.23 -0.21 -0.11 0.00 0.84 0.00 0.00 57.88 58.62 1m5p h LEU 69 Cb 0.14 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 1m5p h LEU 69 CO -0.02 0.66 -0.55 0.03 -0.34 0.00 0.00 178.44 178.22 1m5p h ARG 70 N 0.53 0.00 -0.03 1.25 3.08 -1.30 -3.17 114.38 114.74 1m5p h ARG 70 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.18 1m5p h ARG 70 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.32 1m5p h ARG 70 CO -0.00 0.55 -0.02 0.43 -1.07 0.00 0.00 179.97 179.85 1m5p n SER 71 N -3.81 2.90 0.00 7.04 7.64 -0.54 -4.38 113.62 122.47 1m5p n SER 71 Ca -0.01 -1.96 0.00 0.00 1.01 0.00 0.00 58.87 57.91 1m5p n SER 71 Cb 0.57 0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.79 1m5p n SER 71 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1m5p n MET 72 N 1.24 1.03 -1.66 1.43 2.81 -0.79 -4.95 117.12 116.23 1m5p n MET 72 Ca 0.14 -0.83 -0.42 0.00 -1.81 0.00 0.00 57.70 54.78 1m5p n MET 72 Cb 0.58 -0.70 -0.03 0.00 -0.71 0.00 0.00 33.22 32.37 1m5p n MET 72 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 1m5p n GLN 73 N -0.18 2.78 -0.86 0.03 -0.06 -1.20 -1.39 117.38 116.50 1m5p n GLN 73 Ca 0.00 1.00 0.00 0.00 -2.00 0.00 0.00 57.00 56.00 1m5p n GLN 73 Cb 0.38 -3.01 0.00 0.00 -4.06 0.00 0.00 30.24 23.55 1m5p n GLN 73 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1m5p n GLY 74 N 4.64 0.88 3.65 1.69 0.00 -0.47 -5.00 105.19 110.58 1m5p n GLY 74 Ca 0.21 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.76 1m5p n GLY 74 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1m5p n PHE 75 N -2.12 2.03 -1.96 1.61 7.35 -0.49 -4.28 117.46 119.60 1m5p n PHE 75 Ca 0.00 0.42 -0.42 0.00 -0.76 0.00 0.00 57.45 56.69 1m5p n PHE 75 Cb 0.00 -2.46 -0.03 0.00 0.35 0.00 0.00 39.48 37.35 1m5p n PHE 75 CO 0.00 0.00 0.00 -2.14 -0.76 0.00 0.00 176.76 173.86 1m5p s PRO 76 N 0.17 4.22 -0.17 -7.13 0.02 -1.26 -2.00 135.00 128.85 1m5p s PRO 76 Ca 0.74 2.31 -0.06 0.00 0.02 0.00 0.00 61.00 64.01 1m5p s PRO 76 Cb -0.72 -3.42 0.08 0.00 0.02 0.00 0.00 34.50 30.46 1m5p s PRO 76 CO 0.45 -0.66 0.35 0.12 -0.33 0.00 0.00 177.00 176.93 1m5p s PHE 77 N 2.01 -0.64 -1.52 6.54 5.36 -0.36 -4.91 117.98 124.47 1m5p s PHE 77 Ca 0.71 1.29 -0.01 0.00 -0.96 0.00 0.00 56.93 57.96 1m5p s PHE 77 Cb -0.40 0.16 0.01 0.00 -0.34 0.00 0.00 43.02 42.44 1m5p s PHE 77 CO 0.31 -0.43 0.02 0.66 -1.46 0.00 0.00 175.22 174.33 1m5p n TYR 78 N 5.35 -1.22 -0.97 10.12 4.01 -1.26 -0.51 117.16 132.69 1m5p n TYR 78 Ca -0.08 0.59 0.00 0.00 -0.16 0.00 0.00 57.90 58.26 1m5p n TYR 78 Cb 0.50 -2.68 0.00 0.00 -0.31 0.00 0.00 39.34 36.85 1m5p n TYR 78 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1m5p n ASP 79 N -2.78 -3.16 -3.97 7.72 8.00 -1.26 -4.69 116.55 116.41 1m5p n ASP 79 Ca -0.30 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.05 1m5p n ASP 79 Cb 0.67 -1.32 -0.14 0.00 -0.02 0.00 0.00 41.12 40.31 1m5p n ASP 79 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1m5p s LYS 80 N -0.57 0.42 -0.25 -1.24 1.02 0.34 -5.10 119.74 114.36 1m5p s LYS 80 Ca 0.00 -0.26 -0.25 0.00 0.02 0.00 0.00 55.97 55.48 1m5p s LYS 80 Cb 0.00 -0.37 -0.00 0.00 -0.52 0.00 0.00 37.83 36.94 1m5p s LYS 80 CO 0.00 0.10 0.83 -1.25 -0.92 0.00 0.00 175.35 174.11 1m5p s PRO 81 N -0.34 4.17 0.47 -1.68 0.04 -1.26 -1.22 135.00 135.18 1m5p s PRO 81 Ca -0.00 0.92 -0.23 0.00 0.04 0.00 0.00 61.00 61.73 1m5p s PRO 81 Cb -0.03 -3.65 -0.07 0.00 0.04 0.00 0.00 34.50 30.79 1m5p s PRO 81 CO -0.00 -0.53 1.21 0.00 0.04 0.00 0.00 177.00 177.72 1m5p s MET 82 N 2.86 3.64 -0.13 4.56 0.23 -0.85 -4.82 119.30 124.80 1m5p s MET 82 Ca 0.35 1.88 -0.03 0.00 -1.03 0.00 0.00 55.69 56.85 1m5p s MET 82 Cb -0.15 -2.39 -0.03 0.00 -1.53 0.00 0.00 34.83 30.72 1m5p s MET 82 CO 0.08 -0.68 -0.00 0.50 -2.03 0.00 0.00 175.02 172.89 1m5p s ARG 83 N -2.72 3.38 -0.10 3.16 3.52 0.04 -1.37 118.95 124.87 1m5p s ARG 83 Ca 0.65 -0.43 0.01 0.00 -0.13 0.00 0.00 55.73 55.83 1m5p s ARG 83 Cb -0.31 -2.91 0.02 0.00 -1.56 0.00 0.00 34.95 30.19 1m5p s ARG 83 CO 0.38 0.48 -0.13 0.42 -0.81 0.00 0.00 175.30 175.63 1m5p s ILE 84 N -0.26 1.35 0.15 4.11 1.01 -1.26 -0.89 121.20 125.41 1m5p s ILE 84 Ca 0.06 -0.55 0.06 0.00 0.00 0.00 0.00 60.65 60.21 1m5p s ILE 84 Cb -0.12 -1.25 -0.04 0.00 0.01 0.00 0.00 42.46 41.06 1m5p s ILE 84 CO 0.02 0.41 -0.12 -1.10 0.00 0.00 0.00 174.94 174.15 1m5p s GLN 85 N 1.03 1.10 0.42 2.79 -0.21 0.72 -4.99 119.66 120.52 1m5p s GLN 85 Ca -0.06 -1.40 -0.24 0.00 0.02 0.00 0.00 55.36 53.68 1m5p s GLN 85 Cb -0.15 -0.82 -0.08 0.00 1.00 0.00 0.00 33.01 32.96 1m5p s GLN 85 CO -0.02 0.13 1.13 0.71 -2.12 0.00 0.00 175.29 175.12 1m5p s TYR 86 N -2.82 3.08 0.40 0.91 2.02 -1.26 0.14 117.35 119.81 1m5p s TYR 86 Ca 0.15 1.58 -0.27 0.00 -0.37 0.00 0.00 57.07 58.16 1m5p s TYR 86 Cb -0.01 -3.30 -0.09 0.00 -0.40 0.00 0.00 41.96 38.16 1m5p s TYR 86 CO 0.03 -1.13 1.39 0.00 -1.57 0.00 0.00 175.55 174.27 1m5p s ALA 87 N -1.53 3.39 0.44 3.71 0.00 -0.16 -4.47 121.76 123.14 1m5p s ALA 87 Ca 0.59 1.40 0.15 0.00 0.00 0.00 0.00 51.96 54.10 1m5p s ALA 87 Cb -0.27 -3.55 0.98 0.00 0.00 0.00 0.00 23.12 20.28 1m5p s ALA 87 CO 0.34 -0.96 1.97 0.87 0.00 0.00 0.00 175.76 177.98 1m5p h LYS 88 N 2.79 0.00 -4.47 0.00 1.57 -1.93 -3.45 116.57 111.08 1m5p h LYS 88 Ca -0.50 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 57.94 1m5p h LYS 88 Cb 1.25 0.00 -0.27 0.00 0.08 0.00 0.00 32.23 33.28 1m5p h LYS 88 CO 0.63 0.20 -0.76 0.99 -0.57 0.00 0.00 179.45 179.95 1m5p s THR 89 N -4.57 0.52 0.53 -0.16 2.01 -1.26 -4.98 115.64 107.72 1m5p s THR 89 Ca -0.04 -0.42 -0.20 0.00 0.31 0.00 0.00 61.69 61.34 1m5p s THR 89 Cb 0.15 -0.47 -0.08 0.00 0.01 0.00 0.00 72.50 72.12 1m5p s THR 89 CO 0.70 0.05 0.81 0.47 -0.69 0.00 0.00 174.62 175.96 1m5p n ASP 90 N 2.66 0.21 -4.87 3.53 8.00 -1.26 -4.93 116.55 119.88 1m5p n ASP 90 Ca -0.15 0.86 -0.31 0.00 0.71 0.00 0.00 54.79 55.90 1m5p n ASP 90 Cb 0.57 -1.29 -0.04 0.00 -0.02 0.00 0.00 41.12 40.34 1m5p n ASP 90 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1m5p s SER 91 N -1.06 6.58 0.24 -2.24 0.01 -1.26 -4.86 113.70 111.12 1m5p s SER 91 Ca 0.69 1.17 -0.08 0.00 1.31 0.00 0.00 55.95 59.04 1m5p s SER 91 Cb -0.48 -2.34 0.40 0.00 0.21 0.00 0.00 66.02 63.82 1m5p s SER 91 CO 0.53 -0.35 1.63 0.44 0.41 0.00 0.00 173.24 175.90 1m5p h ASP 92 N 1.51 -0.41 0.18 2.44 3.32 -2.00 0.15 116.42 121.61 1m5p h ASP 92 Ca -0.47 0.20 -0.00 0.00 0.02 0.00 0.00 57.03 56.77 1m5p h ASP 92 Cb 1.18 0.36 -0.00 0.00 0.22 0.00 0.00 39.33 41.10 1m5p h ASP 92 CO 0.64 -0.19 -0.00 0.16 -1.72 0.00 0.00 179.24 178.13 1m5p h ILE 93 N 0.08 0.01 0.08 0.35 -0.00 -1.98 -1.60 117.51 114.45 1m5p h ILE 93 Ca 0.40 -0.09 -0.31 0.00 -0.00 0.00 0.00 64.86 64.85 1m5p h ILE 93 Cb 0.68 1.09 -0.02 0.00 -0.00 0.00 0.00 36.82 38.57 1m5p h ILE 93 CO -0.67 0.00 -1.63 0.40 -0.00 0.00 0.00 178.15 176.24 1m5p h ILE 94 N 0.00 1.01 -0.06 0.16 1.08 -1.10 -3.35 117.51 115.25 1m5p h ILE 94 Ca -0.00 -2.72 -0.19 0.00 -0.39 0.00 0.00 64.86 61.56 1m5p h ILE 94 Cb 0.09 2.63 0.01 0.00 -3.07 0.00 0.00 36.82 36.48 1m5p h ILE 94 CO 0.00 0.75 -0.70 0.00 -0.69 0.00 0.00 178.15 177.51 1m5p h ALA 95 N 0.58 0.16 0.00 1.87 0.00 -0.88 -3.19 119.26 117.80 1m5p h ALA 95 Ca -0.27 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.05 1m5p h ALA 95 Cb 2.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.81 1m5p h ALA 95 CO 0.12 0.49 0.00 1.63 0.00 0.00 0.00 179.25 181.49 1m5p n LYS 96 N -4.09 0.28 0.00 0.00 4.76 -0.65 -5.12 118.16 113.33 1m5p n LYS 96 Ca -0.09 0.04 0.15 0.00 -2.87 0.00 0.00 58.31 55.54 1m5p n LYS 96 Cb 0.71 -1.50 0.75 0.00 -1.84 0.00 0.00 35.03 33.15 1m5p n LYS 96 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70