#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nvl n GLN 2 N 0.00 0.00 0.00 1.43 7.27 -1.26 -4.70 117.38 120.12 1nvl n GLN 2 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 1nvl n GLN 2 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 1nvl n GLN 2 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1nvl n ALA 3 N -0.03 0.00 -0.60 1.69 0.00 -1.26 -0.93 120.51 119.37 1nvl n ALA 3 Ca 0.00 0.00 0.47 0.00 0.00 0.00 0.00 53.44 53.91 1nvl n ALA 3 Cb 0.00 0.00 0.74 0.00 0.00 0.00 0.00 19.45 20.19 1nvl n ALA 3 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1nvl n GLU 4 N -3.33 -0.01 0.22 0.00 4.71 -1.26 0.01 120.64 120.98 1nvl n GLU 4 Ca 0.00 1.08 -0.09 0.00 -0.01 0.00 0.00 57.16 58.14 1nvl n GLU 4 Cb 0.00 -2.36 -0.04 0.00 -1.01 0.00 0.00 31.44 28.02 1nvl n GLU 4 CO 0.00 0.00 0.00 0.35 0.09 0.00 0.00 177.13 177.57 1nvl h PHE 5 N 0.00 -0.57 0.25 -0.32 3.57 -1.35 -1.92 116.94 116.60 1nvl h PHE 5 Ca 0.88 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 62.37 1nvl h PHE 5 Cb 3.30 0.19 -0.02 0.00 2.79 0.00 0.00 35.95 42.20 1nvl h PHE 5 CO -0.00 -0.35 -0.29 -0.44 -2.23 0.00 0.00 178.31 175.00 1nvl h ASP 6 N -1.10 -0.79 -0.54 0.41 5.19 -0.63 -1.13 116.42 117.83 1nvl h ASP 6 Ca -0.06 0.08 0.16 0.00 -0.62 0.00 0.00 57.03 56.58 1nvl h ASP 6 Cb 0.47 0.27 -0.02 0.00 0.18 0.00 0.00 39.33 40.23 1nvl h ASP 6 CO 0.10 -0.41 0.48 0.50 -3.12 0.00 0.00 179.24 176.80 1nvl h LYS 7 N -0.58 0.00 -0.19 3.56 3.64 -0.54 0.47 116.57 122.93 1nvl h LYS 7 Ca -0.00 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.22 1nvl h LYS 7 Cb 0.55 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 1nvl h LYS 7 CO -0.08 0.00 -0.53 0.00 -2.27 0.00 0.00 179.45 176.56 1nvl h ALA 8 N 1.55 0.72 -0.87 5.00 0.00 -0.36 -2.91 119.26 122.38 1nvl h ALA 8 Ca 0.26 -0.50 0.17 0.00 0.00 0.00 0.00 54.91 54.84 1nvl h ALA 8 Cb 1.21 -0.09 -0.11 0.00 0.00 0.00 0.00 17.79 18.81 1nvl h ALA 8 CO -0.00 0.68 0.43 0.00 0.00 0.00 0.00 179.25 180.36 1nvl h ALA 9 N 0.99 1.35 0.84 0.00 0.00 0.06 0.13 119.26 122.65 1nvl h ALA 9 Ca 0.01 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1nvl h ALA 9 Cb 1.07 0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.90 1nvl h ALA 9 CO 0.10 -0.18 -0.40 0.93 0.00 0.00 0.00 179.25 179.70 1nvl h GLU 10 N 0.55 -1.09 -0.63 0.00 3.07 -1.60 -1.99 114.58 112.90 1nvl h GLU 10 Ca 0.50 0.07 0.13 0.00 -0.50 0.00 0.00 59.36 59.57 1nvl h GLU 10 Cb 0.81 0.25 -0.11 0.00 -0.84 0.00 0.00 28.75 28.86 1nvl h GLU 10 CO -0.42 -0.72 -0.05 0.93 -1.40 0.00 0.00 179.01 177.36 1nvl h GLU 11 N -1.20 0.08 -0.87 2.33 4.39 -1.08 0.27 114.58 118.50 1nvl h GLU 11 Ca -0.12 -0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.56 1nvl h GLU 11 Cb 0.87 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.47 1nvl h GLU 11 CO 0.19 0.05 0.48 -0.24 -1.16 0.00 0.00 179.01 178.33 1nvl h VAL 12 N 0.08 1.25 0.00 3.13 3.04 -0.74 0.29 116.25 123.29 1nvl h VAL 12 Ca 0.32 -0.62 -0.05 0.00 -1.01 0.00 0.00 66.70 65.35 1nvl h VAL 12 Cb 0.52 0.07 -0.01 0.00 -2.01 0.00 0.00 31.29 29.86 1nvl h VAL 12 CO -0.57 0.28 -0.22 0.11 -1.01 0.00 0.00 177.57 176.16 1nvl h LYS 13 N 1.22 0.00 -0.00 4.17 1.57 -0.11 -2.87 116.57 120.54 1nvl h LYS 13 Ca 0.31 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 1nvl h LYS 13 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1nvl h LYS 13 CO -0.05 0.22 -0.56 0.72 -0.57 0.00 0.00 179.45 179.21 1nvl n HIS 14 N -3.54 0.00 -1.23 -1.35 8.25 0.76 -4.97 115.22 113.14 1nvl n HIS 14 Ca -0.01 0.00 -0.47 0.00 -0.26 0.00 0.00 57.72 56.98 1nvl n HIS 14 Cb 0.37 -0.20 -0.05 0.00 1.12 0.00 0.00 29.99 31.23 1nvl n HIS 14 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1nvl n LEU 15 N -1.40 -0.33 0.00 2.41 4.77 0.25 -4.69 117.00 118.01 1nvl n LEU 15 Ca 0.06 0.97 0.00 0.00 -0.03 0.00 0.00 56.01 57.01 1nvl n LEU 15 Cb 0.34 -0.78 0.00 0.00 -2.33 0.00 0.00 43.42 40.65 1nvl n LEU 15 CO 0.35 -1.88 0.30 1.17 -1.33 0.00 0.00 177.39 176.00 1nvl n LYS 16 N 1.13 0.00 -3.71 3.23 0.00 -1.26 -4.64 118.16 112.91 1nvl n LYS 16 Ca 0.16 0.13 -0.09 0.00 0.00 0.00 0.00 58.31 58.51 1nvl n LYS 16 Cb 0.11 -1.52 -0.02 0.00 0.00 0.00 0.00 35.03 33.60 1nvl n LYS 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1nvl s THR 17 N -2.15 0.00 -0.18 3.15 2.01 -1.26 -5.12 115.64 112.08 1nvl s THR 17 Ca 0.00 -0.67 -0.14 0.00 0.31 0.00 0.00 61.69 61.19 1nvl s THR 17 Cb 0.00 -1.66 -0.04 0.00 0.01 0.00 0.00 72.50 70.81 1nvl s THR 17 CO 0.00 -0.01 0.32 -1.59 -0.69 0.00 0.00 174.62 172.65 1nvl s LYS 18 N -3.86 4.21 1.17 4.92 -2.85 -1.26 -5.04 119.74 117.03 1nvl s LYS 18 Ca 0.08 0.10 -0.20 0.00 -1.00 0.00 0.00 55.97 54.96 1nvl s LYS 18 Cb -0.04 -3.48 0.30 0.00 -2.06 0.00 0.00 37.83 32.55 1nvl s LYS 18 CO 0.00 0.12 0.82 -2.30 0.10 0.00 0.00 175.35 174.09 1nvl n PRO 19 N 3.98 -3.79 -2.69 1.78 -0.02 -1.26 -5.00 135.00 127.99 1nvl n PRO 19 Ca -0.11 -1.35 -0.31 0.00 -2.02 0.00 0.00 63.50 59.71 1nvl n PRO 19 Cb 0.52 -1.52 -0.04 0.00 -0.02 0.00 0.00 33.50 32.43 1nvl n PRO 19 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1nvl s ALA 20 N -2.48 3.21 0.15 3.55 0.00 -1.26 -4.74 121.76 120.19 1nvl s ALA 20 Ca 0.59 0.02 -0.30 0.00 0.00 0.00 0.00 51.96 52.27 1nvl s ALA 20 Cb -0.08 -2.91 -0.07 0.00 0.00 0.00 0.00 23.12 20.06 1nvl s ALA 20 CO 0.47 -0.06 1.52 -0.25 0.00 0.00 0.00 175.76 177.44 1nvl n ASP 21 N -1.28 -1.02 -0.29 0.00 9.92 -1.26 -0.20 116.55 122.42 1nvl n ASP 21 Ca 0.05 1.75 0.12 0.00 -0.53 0.00 0.00 54.79 56.17 1nvl n ASP 21 Cb 0.54 -0.24 0.26 0.00 -0.64 0.00 0.00 41.12 41.04 1nvl n ASP 21 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1nvl h GLU 22 N 0.00 0.16 0.08 -1.24 3.07 -1.98 0.67 114.58 115.34 1nvl h GLU 22 Ca 0.15 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 59.00 1nvl h GLU 22 Cb 0.39 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.27 1nvl h GLU 22 CO -0.90 0.11 -0.04 0.93 -1.40 0.00 0.00 179.01 177.71 1nvl h GLU 23 N 0.17 -0.10 -0.79 2.33 5.08 -0.95 -0.95 114.58 119.37 1nvl h GLU 23 Ca 0.53 0.01 0.16 0.00 -1.00 0.00 0.00 59.36 59.05 1nvl h GLU 23 Cb 1.05 0.02 -0.10 0.00 0.50 0.00 0.00 28.75 30.22 1nvl h GLU 23 CO -0.68 0.23 0.32 0.52 -1.00 0.00 0.00 179.01 178.39 1nvl h MET 24 N -0.44 0.43 0.43 2.33 2.86 0.16 0.58 114.93 121.27 1nvl h MET 24 Ca -0.01 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 1nvl h MET 24 Cb 0.38 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.92 1nvl h MET 24 CO 0.02 0.28 -0.40 -0.07 1.06 0.00 0.00 176.91 177.80 1nvl h LEU 25 N 0.44 -1.09 0.50 1.22 3.38 0.45 0.53 115.31 120.74 1nvl h LEU 25 Ca 0.44 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.49 1nvl h LEU 25 Cb 0.70 0.36 -0.02 0.00 0.09 0.00 0.00 40.66 41.79 1nvl h LEU 25 CO -0.43 -0.56 -0.50 0.15 0.09 0.00 0.00 178.44 177.19 1nvl h PHE 26 N -0.84 -1.38 -0.78 1.13 3.04 -0.16 0.12 116.94 118.07 1nvl h PHE 26 Ca -0.04 0.01 0.14 0.00 3.98 0.00 0.00 57.97 62.06 1nvl h PHE 26 Cb 0.74 0.54 -0.14 0.00 2.56 0.00 0.00 35.95 39.65 1nvl h PHE 26 CO -0.21 -0.67 -0.28 0.82 -2.02 0.00 0.00 178.31 175.95 1nvl h ILE 27 N -1.00 0.15 0.13 1.41 1.08 -0.74 0.10 117.51 118.63 1nvl h ILE 27 Ca -0.06 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.41 1nvl h ILE 27 Cb 0.87 0.15 -0.02 0.00 -3.07 0.00 0.00 36.82 34.75 1nvl h ILE 27 CO -0.06 0.00 -0.30 0.22 -0.69 0.00 0.00 178.15 177.32 1nvl h TYR 28 N -0.05 -0.86 0.05 1.37 5.03 0.57 0.47 116.97 123.54 1nvl h TYR 28 Ca 0.34 0.02 0.03 0.00 2.58 0.00 0.00 58.73 61.69 1nvl h TYR 28 Cb 0.58 0.36 -0.05 0.00 1.55 0.00 0.00 36.73 39.17 1nvl h TYR 28 CO -0.68 -0.35 -0.40 0.66 -1.32 0.00 0.00 178.16 176.07 1nvl h SER 29 N -0.47 -1.19 0.23 -2.11 4.64 -0.22 0.04 113.55 114.48 1nvl h SER 29 Ca -0.01 0.14 0.01 0.00 -0.47 0.00 0.00 61.79 61.46 1nvl h SER 29 Cb 0.45 0.46 -0.03 0.00 -0.31 0.00 0.00 62.40 62.97 1nvl h SER 29 CO -0.13 -0.46 -0.36 0.45 -0.87 0.00 0.00 176.83 175.46 1nvl h HIS 30 N -0.58 -0.99 -0.09 4.77 3.86 -0.71 1.00 115.15 122.40 1nvl h HIS 30 Ca 0.04 0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.29 1nvl h HIS 30 Cb 0.64 0.40 -0.05 0.00 1.06 0.00 0.00 27.41 29.47 1nvl h HIS 30 CO -0.38 -0.48 -0.43 -0.92 0.86 0.00 0.00 177.93 176.57 1nvl h TYR 31 N -0.66 -1.28 0.11 2.45 3.20 0.25 0.43 116.97 121.46 1nvl h TYR 31 Ca 0.00 0.05 0.02 0.00 3.14 0.00 0.00 58.73 61.94 1nvl h TYR 31 Cb 0.64 0.57 -0.03 0.00 1.54 0.00 0.00 36.73 39.45 1nvl h TYR 31 CO -0.27 -0.44 -0.24 0.87 -1.64 0.00 0.00 178.16 176.44 1nvl h LYS 32 N -0.47 -0.42 -0.25 1.82 1.57 -0.94 0.27 116.57 118.14 1nvl h LYS 32 Ca 0.02 0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 1nvl h LYS 32 Cb 0.54 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 1nvl h LYS 32 CO -0.34 -0.28 0.03 -0.56 -0.57 0.00 0.00 179.45 177.73 1nvl h GLN 33 N -0.44 0.43 0.00 3.15 -0.00 -0.71 0.44 115.11 117.98 1nvl h GLN 33 Ca 0.03 -0.12 -0.01 0.00 -0.00 0.00 0.00 58.65 58.55 1nvl h GLN 33 Cb 0.47 -0.05 -0.00 0.00 -0.00 0.00 0.00 27.48 27.90 1nvl h GLN 33 CO -0.15 0.57 -0.04 0.00 -0.00 0.00 0.00 178.83 179.21 1nvl h ALA 34 N 0.84 1.58 0.05 0.06 0.00 0.19 0.70 119.26 122.68 1nvl h ALA 34 Ca 0.07 -0.04 -0.38 0.00 0.00 0.00 0.00 54.91 54.57 1nvl h ALA 34 Cb 0.36 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 1nvl h ALA 34 CO 0.01 0.05 -2.26 0.25 0.00 0.00 0.00 179.25 177.30 1nvl n THR 35 N -3.98 1.61 -0.11 0.00 -2.24 0.94 -4.68 114.28 105.82 1nvl n THR 35 Ca -0.03 -0.58 -0.20 0.00 -2.27 0.00 0.00 64.05 60.98 1nvl n THR 35 Cb 0.13 -1.59 -0.07 0.00 -2.10 0.00 0.00 70.33 66.70 1nvl n THR 35 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1nvl n VAL 36 N -3.44 1.51 0.00 2.28 0.31 0.15 -5.08 118.33 114.07 1nvl n VAL 36 Ca -0.41 -0.11 0.00 0.00 -0.01 0.00 0.00 64.34 63.81 1nvl n VAL 36 Cb 1.00 -2.09 0.00 0.00 -0.91 0.00 0.00 33.84 31.83 1nvl n VAL 36 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1nvl n GLY 37 N 1.38 0.79 3.68 2.92 0.00 0.24 -5.00 105.19 109.20 1nvl n GLY 37 Ca -0.34 -1.12 -0.30 0.00 0.00 0.00 0.00 46.02 44.25 1nvl n GLY 37 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1nvl s ASP 38 N -4.00 3.08 -0.57 1.61 1.11 -1.24 -4.27 116.67 112.39 1nvl s ASP 38 Ca 0.00 1.80 -0.19 0.00 0.18 0.00 0.00 52.55 54.34 1nvl s ASP 38 Cb 0.00 -2.40 0.09 0.00 1.07 0.00 0.00 42.92 41.68 1nvl s ASP 38 CO 0.00 -2.93 0.69 -0.51 1.18 0.00 0.00 175.17 173.59 1nvl s ILE 39 N -2.75 4.83 -0.32 0.77 2.07 -1.26 -4.87 121.20 119.68 1nvl s ILE 39 Ca 0.65 -0.90 0.03 0.00 -1.41 0.00 0.00 60.65 59.02 1nvl s ILE 39 Cb -0.21 -4.45 0.44 0.00 0.13 0.00 0.00 42.46 38.37 1nvl s ILE 39 CO 0.58 -1.06 1.54 -0.46 -1.91 0.00 0.00 174.94 173.63 1nvl n ASN 40 N 6.29 3.55 -4.44 4.50 6.94 -1.26 -4.88 115.26 125.96 1nvl n ASN 40 Ca -0.09 -2.96 -0.25 0.00 -0.02 0.00 0.00 54.58 51.26 1nvl n ASN 40 Cb 0.43 -0.70 -0.10 0.00 -2.36 0.00 0.00 39.78 37.05 1nvl n ASN 40 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1nvl s THR 41 N -2.09 1.16 0.42 5.53 -4.23 -1.26 -5.17 115.64 110.01 1nvl s THR 41 Ca 0.36 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 58.95 1nvl s THR 41 Cb 0.30 -2.61 -0.00 0.00 1.34 0.00 0.00 72.50 71.53 1nvl s THR 41 CO 0.07 0.00 0.50 -1.83 -0.54 0.00 0.00 174.62 172.82 1nvl s GLU 42 N -3.81 2.70 -0.22 3.99 -1.05 -1.26 -5.06 118.70 113.98 1nvl s GLU 42 Ca 0.28 -1.37 -0.29 0.00 -0.15 0.00 0.00 54.97 53.44 1nvl s GLU 42 Cb 0.06 -2.60 -0.03 0.00 -0.44 0.00 0.00 34.13 31.12 1nvl s GLU 42 CO 0.14 -0.25 1.63 0.50 0.95 0.00 0.00 175.26 178.23 1nvl s ARG 43 N -4.27 3.79 1.00 -4.83 3.52 -1.26 -5.01 118.95 111.89 1nvl s ARG 43 Ca 0.52 1.68 -0.18 0.00 -0.13 0.00 0.00 55.73 57.62 1nvl s ARG 43 Cb -0.07 -4.04 -0.11 0.00 -1.56 0.00 0.00 34.95 29.17 1nvl s ARG 43 CO 0.31 -1.30 -0.67 -2.30 -0.81 0.00 0.00 175.30 170.53 1nvl n PRO 44 N 7.68 -0.14 0.00 5.12 -0.02 -1.26 -5.07 135.00 141.30 1nvl n PRO 44 Ca 0.19 -0.03 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 1nvl n PRO 44 Cb 0.45 -1.20 0.00 0.00 -0.02 0.00 0.00 33.50 32.74 1nvl n PRO 44 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nvl n GLY 45 N 3.05 0.37 0.00 -1.23 0.00 -1.26 -4.83 105.19 101.29 1nvl n GLY 45 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1nvl n GLY 45 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1nvl n MET 46 N 0.00 0.00 -1.72 1.61 2.81 -1.26 -2.82 117.12 115.74 1nvl n MET 46 Ca 0.00 0.00 -0.40 0.00 -1.81 0.00 0.00 57.70 55.49 1nvl n MET 46 Cb 0.00 0.00 -0.01 0.00 -0.71 0.00 0.00 33.22 32.50 1nvl n MET 46 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1nvl n LEU 47 N -0.71 8.00 0.00 4.03 4.32 -1.26 -4.91 117.00 126.46 1nvl n LEU 47 Ca 0.00 -4.53 0.00 0.00 -0.02 0.00 0.00 56.01 51.46 1nvl n LEU 47 Cb 0.00 -1.50 0.00 0.00 -1.62 0.00 0.00 43.42 40.30 1nvl n LEU 47 CO 0.00 1.84 0.01 -0.90 -1.22 0.00 0.00 177.39 177.12 1nvl n ASP 48 N 3.43 0.00 0.22 -1.43 5.68 -1.13 0.82 116.55 124.14 1nvl n ASP 48 Ca 0.65 0.03 -0.09 0.00 -0.50 0.00 0.00 54.79 54.87 1nvl n ASP 48 Cb 0.28 -0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.21 1nvl n ASP 48 CO 0.00 0.00 0.00 2.19 -1.33 0.00 0.00 177.20 178.06 1nvl h PHE 49 N 0.00 -0.61 0.00 2.11 -0.00 -1.92 0.52 116.94 117.04 1nvl h PHE 49 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 57.97 57.96 1nvl h PHE 49 Cb 0.00 0.21 0.00 0.00 -0.00 0.00 0.00 35.95 36.16 1nvl h PHE 49 CO -0.00 -0.35 0.05 1.17 -0.00 0.00 0.00 178.31 179.18 1nvl n LYS 50 N -3.72 0.00 0.07 6.09 4.81 -0.92 -1.00 118.16 123.48 1nvl n LYS 50 Ca -0.07 0.09 0.00 0.00 -0.87 0.00 0.00 58.31 57.46 1nvl n LYS 50 Cb 0.24 -1.55 0.00 0.00 0.02 0.00 0.00 35.03 33.74 1nvl n LYS 50 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1nvl n GLY 51 N -0.97 -0.10 0.32 3.14 0.00 0.24 -4.69 105.19 103.14 1nvl n GLY 51 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 1nvl n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nvl h LYS 52 N 0.00 0.99 0.07 1.61 6.56 0.25 -0.91 116.57 125.14 1nvl h LYS 52 Ca 0.00 -0.06 -0.00 0.00 -1.06 0.00 0.00 60.65 59.53 1nvl h LYS 52 Cb 0.03 -0.22 0.00 0.00 -0.57 0.00 0.00 32.23 31.46 1nvl h LYS 52 CO 0.00 0.66 -0.03 0.00 -2.06 0.00 0.00 179.45 178.01 1nvl h ALA 53 N 1.38 -0.09 -0.68 3.86 0.00 -1.18 0.28 119.26 122.83 1nvl h ALA 53 Ca 0.36 -0.09 0.12 0.00 0.00 0.00 0.00 54.91 55.29 1nvl h ALA 53 Cb 0.08 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 17.82 1nvl h ALA 53 CO -0.14 -0.47 0.25 0.87 0.00 0.00 0.00 179.25 179.76 1nvl h LYS 54 N -0.25 0.41 0.23 0.00 1.57 -1.60 0.52 116.57 117.44 1nvl h LYS 54 Ca -0.01 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1nvl h LYS 54 Cb 0.21 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1nvl h LYS 54 CO 0.02 0.27 -0.11 2.35 -0.57 0.00 0.00 179.45 181.41 1nvl h TRP 55 N 0.42 -0.28 -0.96 -1.35 7.01 -0.56 -1.53 115.95 118.69 1nvl h TRP 55 Ca 0.35 -0.01 0.15 0.00 2.11 0.00 0.00 58.89 61.49 1nvl h TRP 55 Cb 0.49 0.09 -0.15 0.00 -2.10 0.00 0.00 29.16 27.49 1nvl h TRP 55 CO -0.17 -0.18 -0.40 -0.44 -2.79 0.00 0.00 178.44 174.47 1nvl h ASP 56 N -0.33 -1.45 -1.00 2.65 3.32 -0.21 0.84 116.42 120.23 1nvl h ASP 56 Ca -0.03 0.31 0.20 0.00 0.02 0.00 0.00 57.03 57.52 1nvl h ASP 56 Cb 0.23 0.75 -0.11 0.00 0.22 0.00 0.00 39.33 40.43 1nvl h ASP 56 CO 0.05 -0.29 0.61 0.00 -1.72 0.00 0.00 179.24 177.90 1nvl h ALA 57 N 1.30 1.72 0.00 3.45 0.00 0.07 -1.47 119.26 124.33 1nvl h ALA 57 Ca 0.33 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.32 1nvl h ALA 57 Cb 0.58 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1nvl h ALA 57 CO -0.96 -0.11 -0.00 2.35 0.00 0.00 0.00 179.25 180.54 1nvl h TRP 58 N 0.72 -0.00 -0.94 0.00 7.01 0.15 -3.38 115.95 119.51 1nvl h TRP 58 Ca 0.58 -0.00 0.17 0.00 2.11 0.00 0.00 58.89 61.76 1nvl h TRP 58 Cb 0.96 0.00 -0.17 0.00 -2.10 0.00 0.00 29.16 27.85 1nvl h TRP 58 CO -0.00 0.64 -0.29 -0.97 -2.79 0.00 0.00 178.44 175.03 1nvl h ASN 59 N -1.00 -1.08 0.06 2.65 -0.73 0.50 0.32 115.58 116.31 1nvl h ASN 59 Ca -0.00 0.29 0.00 0.00 1.87 0.00 0.00 56.30 58.46 1nvl h ASN 59 Cb 0.64 0.64 0.00 0.00 0.27 0.00 0.00 38.32 39.87 1nvl h ASN 59 CO 0.00 -0.30 0.00 1.21 -0.37 0.00 0.00 177.43 177.97 1nvl n GLU 60 N -5.55 0.02 -0.00 6.67 0.00 -0.62 -0.55 120.64 120.62 1nvl n GLU 60 Ca 0.13 0.49 0.10 0.00 0.00 0.00 0.00 57.16 57.88 1nvl n GLU 60 Cb 0.44 -1.57 -0.11 0.00 0.00 0.00 0.00 31.44 30.21 1nvl n GLU 60 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1nvl n LEU 61 N -1.61 0.79 0.00 4.31 4.77 0.09 -4.78 117.00 120.57 1nvl n LEU 61 Ca 0.00 -0.37 0.00 0.00 -0.03 0.00 0.00 56.01 55.61 1nvl n LEU 61 Cb 0.03 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 1nvl n LEU 61 CO 0.03 0.19 0.00 1.17 -1.33 0.00 0.00 177.39 177.45 1nvl n LYS 62 N -1.65 0.00 -1.01 3.23 0.00 0.29 0.18 118.16 119.20 1nvl n LYS 62 Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 58.31 58.24 1nvl n LYS 62 Cb 0.38 0.00 0.17 0.00 0.00 0.00 0.00 35.03 35.58 1nvl n LYS 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1nvl n GLY 63 N -0.88 5.10 3.82 3.14 0.00 -1.26 -3.68 105.19 111.43 1nvl n GLY 63 Ca 0.00 -1.43 -0.37 0.00 0.00 0.00 0.00 46.02 44.22 1nvl n GLY 63 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nvl s THR 64 N -3.50 5.36 0.50 2.61 2.01 0.13 -5.06 115.64 117.69 1nvl s THR 64 Ca 0.48 0.40 -0.22 0.00 0.31 0.00 0.00 61.69 62.65 1nvl s THR 64 Cb 0.42 -3.52 -0.07 0.00 0.01 0.00 0.00 72.50 69.34 1nvl s THR 64 CO 0.01 0.54 1.13 -1.54 -0.69 0.00 0.00 174.62 174.07 1nvl n SER 65 N 2.48 1.72 -0.20 3.53 3.41 -1.26 -4.78 113.62 118.51 1nvl n SER 65 Ca -0.17 0.97 -0.05 0.00 -0.26 0.00 0.00 58.87 59.37 1nvl n SER 65 Cb 0.53 -1.45 0.01 0.00 -0.26 0.00 0.00 64.21 63.05 1nvl n SER 65 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1nvl h LYS 66 N 1.34 -0.14 -0.71 4.33 1.57 -1.83 -0.99 116.57 120.13 1nvl h LYS 66 Ca -0.48 0.01 0.15 0.00 -1.87 0.00 0.00 60.65 58.47 1nvl h LYS 66 Cb 1.33 0.03 -0.11 0.00 0.08 0.00 0.00 32.23 33.56 1nvl h LYS 66 CO 0.56 -0.10 0.14 0.93 -0.57 0.00 0.00 179.45 180.42 1nvl h GLU 67 N -0.15 0.23 -0.23 3.15 4.39 -1.88 0.48 114.58 120.58 1nvl h GLU 67 Ca 0.24 -0.01 -0.16 0.00 0.34 0.00 0.00 59.36 59.76 1nvl h GLU 67 Cb 0.54 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 1nvl h GLU 67 CO -0.66 0.15 -0.51 -0.44 -1.16 0.00 0.00 179.01 176.39 1nvl h ASP 68 N 0.24 0.70 -0.36 1.42 5.19 -1.56 0.46 116.42 122.51 1nvl h ASP 68 Ca 0.40 -0.36 -0.05 0.00 -0.62 0.00 0.00 57.03 56.40 1nvl h ASP 68 Cb 0.67 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.97 1nvl h ASP 68 CO -0.52 1.09 0.04 0.00 -3.12 0.00 0.00 179.24 176.73 1nvl h ALA 69 N 0.93 0.48 -0.08 3.45 0.00 -0.50 -1.72 119.26 121.83 1nvl h ALA 69 Ca 0.02 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.75 1nvl h ALA 69 Cb 1.06 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.66 1nvl h ALA 69 CO 0.10 0.20 -0.37 0.52 0.00 0.00 0.00 179.25 179.71 1nvl h MET 70 N 0.44 -0.46 -0.36 0.00 2.86 0.79 0.49 114.93 118.70 1nvl h MET 70 Ca 0.11 0.03 0.04 0.00 -2.06 0.00 0.00 59.70 57.82 1nvl h MET 70 Cb 0.39 0.10 -0.07 0.00 0.06 0.00 0.00 31.60 32.08 1nvl h MET 70 CO 0.01 -0.31 -0.51 0.87 1.06 0.00 0.00 176.91 178.04 1nvl h LYS 71 N -0.47 -0.36 -0.83 1.72 1.57 -0.56 0.27 116.57 117.91 1nvl h LYS 71 Ca 0.07 0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.86 1nvl h LYS 71 Cb 0.59 0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.95 1nvl h LYS 71 CO -0.34 -0.24 0.43 0.00 -0.57 0.00 0.00 179.45 178.73 1nvl h ALA 72 N -0.18 1.06 0.48 3.86 0.00 -0.85 0.16 119.26 123.80 1nvl h ALA 72 Ca 0.06 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1nvl h ALA 72 Cb 0.55 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1nvl h ALA 72 CO -0.53 0.60 -0.40 -0.92 0.00 0.00 0.00 179.25 178.00 1nvl h TYR 73 N 1.16 -1.07 -0.64 0.00 3.20 0.95 0.29 116.97 120.87 1nvl h TYR 73 Ca 0.29 0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.20 1nvl h TYR 73 Cb 0.07 0.40 -0.04 0.00 1.54 0.00 0.00 36.73 38.71 1nvl h TYR 73 CO 0.01 -0.56 0.42 0.82 -1.64 0.00 0.00 178.16 177.20 1nvl h ILE 74 N -0.87 1.06 0.00 1.81 2.04 -0.37 0.34 117.51 121.52 1nvl h ILE 74 Ca -0.05 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.57 1nvl h ILE 74 Cb 0.75 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 37.11 1nvl h ILE 74 CO -0.02 0.13 0.00 0.47 0.00 0.00 0.00 178.15 178.73 1nvl n ASP 75 N -4.47 0.00 -0.33 1.72 9.92 0.56 -1.30 116.55 122.66 1nvl n ASP 75 Ca 0.08 0.88 -0.02 0.00 -0.53 0.00 0.00 54.79 55.20 1nvl n ASP 75 Cb 0.17 -0.50 0.02 0.00 -0.64 0.00 0.00 41.12 40.17 1nvl n ASP 75 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1nvl n LYS 76 N -2.00 -0.22 -0.34 -1.24 3.00 0.95 0.26 118.16 118.58 1nvl n LYS 76 Ca 0.00 1.29 0.20 0.00 -0.00 0.00 0.00 58.31 59.80 1nvl n LYS 76 Cb 0.00 -1.91 0.42 0.00 0.00 0.00 0.00 35.03 33.54 1nvl n LYS 76 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1nvl h VAL 77 N 0.00 0.42 0.08 3.15 2.07 -0.21 0.28 116.25 122.04 1nvl h VAL 77 Ca 0.27 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.63 1nvl h VAL 77 Cb 0.48 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.19 1nvl h VAL 77 CO -0.83 0.08 -0.04 -0.08 0.02 0.00 0.00 177.57 176.73 1nvl h GLU 78 N 0.45 -0.10 -0.95 1.57 4.22 0.49 0.33 114.58 120.59 1nvl h GLU 78 Ca 0.68 0.01 0.21 0.00 0.08 0.00 0.00 59.36 60.33 1nvl h GLU 78 Cb 1.42 0.02 -0.11 0.00 0.50 0.00 0.00 28.75 30.58 1nvl h GLU 78 CO -0.54 0.38 0.52 0.93 -2.18 0.00 0.00 179.01 178.13 1nvl h GLU 79 N -0.65 0.58 0.05 1.92 5.08 0.22 0.31 114.58 122.09 1nvl h GLU 79 Ca -0.01 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1nvl h GLU 79 Cb 0.53 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1nvl h GLU 79 CO 0.02 0.39 -0.02 -0.07 -1.00 0.00 0.00 179.01 178.32 1nvl h LEU 80 N 0.60 -0.05 -0.38 1.33 3.38 -0.55 -0.04 115.31 119.60 1nvl h LEU 80 Ca 0.57 -0.22 0.08 0.00 0.09 0.00 0.00 57.88 58.40 1nvl h LEU 80 Cb 0.99 0.01 -0.08 0.00 0.09 0.00 0.00 40.66 41.67 1nvl h LEU 80 CO -0.44 0.19 -0.18 0.50 0.09 0.00 0.00 178.44 178.61 1nvl h LYS 81 N -0.30 -0.10 -0.83 1.13 3.64 0.31 0.23 116.57 120.66 1nvl h LYS 81 Ca -0.01 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1nvl h LYS 81 Cb 0.27 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.07 1nvl h LYS 81 CO 0.01 -0.07 0.55 0.87 -2.27 0.00 0.00 179.45 178.54 1nvl h LYS 82 N -0.11 1.08 -0.06 1.90 1.57 -0.61 0.18 116.57 120.52 1nvl h LYS 82 Ca 0.19 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.85 1nvl h LYS 82 Cb 0.40 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1nvl h LYS 82 CO -0.45 0.72 -0.15 0.87 -0.57 0.00 0.00 179.45 179.87 1nvl h LYS 83 N 1.12 0.21 0.00 3.15 1.57 0.52 -3.39 116.57 119.75 1nvl h LYS 83 Ca 0.31 -0.15 -0.24 0.00 -1.87 0.00 0.00 60.65 58.71 1nvl h LYS 83 Cb -0.11 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.18 1nvl h LYS 83 CO -0.07 0.75 -2.07 0.66 -0.57 0.00 0.00 179.45 178.15 1nvl n TYR 84 N -4.60 0.25 0.00 -1.35 4.01 0.68 -5.07 117.16 111.07 1nvl n TYR 84 Ca -0.08 0.08 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 1nvl n TYR 84 Cb 0.39 -0.91 0.00 0.00 -0.31 0.00 0.00 39.34 38.51 1nvl n TYR 84 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1nvl n GLY 85 N 1.55 1.88 0.53 2.72 0.00 0.62 -4.66 105.19 107.83 1nvl n GLY 85 Ca -0.20 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.88 1nvl n GLY 85 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83