#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nvl s GLN 2 N 0.00 0.80 -0.27 4.33 -2.07 -1.26 -5.11 119.66 116.08 1nvl s GLN 2 Ca 0.00 -1.34 -0.15 0.00 -1.82 0.00 0.00 55.36 52.05 1nvl s GLN 2 Cb 0.00 0.09 -0.12 0.00 -1.09 0.00 0.00 33.01 31.88 1nvl s GLN 2 CO 0.00 -0.14 -0.31 0.00 -1.32 0.00 0.00 175.29 173.52 1nvl n ALA 3 N -0.02 1.16 -0.19 2.60 0.00 -1.26 -4.66 120.51 118.14 1nvl n ALA 3 Ca -0.10 -1.05 0.19 0.00 0.00 0.00 0.00 53.44 52.47 1nvl n ALA 3 Cb 0.62 0.08 0.35 0.00 0.00 0.00 0.00 19.45 20.50 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 -4.27 -0.03 0.18 0.00 4.71 -1.26 -0.43 120.64 119.53 1nvl n GLU 4 Ca -0.52 0.80 -0.08 0.00 -0.01 0.00 0.00 57.16 57.35 1nvl n GLU 4 Cb 0.87 -1.45 -0.04 0.00 -1.01 0.00 0.00 31.44 29.81 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 -0.48 -0.44 -0.32 3.57 -1.93 -0.25 116.94 117.08 1nvl h PHE 5 Ca 0.50 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 62.03 1nvl h PHE 5 Cb 1.33 0.16 -0.04 0.00 2.79 0.00 0.00 35.95 40.19 1nvl h PHE 5 CO -0.01 -0.30 0.20 -0.44 -2.23 0.00 0.00 178.31 175.53 1nvl h ASP 6 N -1.12 0.28 -0.69 0.41 3.32 -1.32 0.29 116.42 117.59 1nvl h ASP 6 Ca -0.05 0.03 -0.06 0.00 0.02 0.00 0.00 57.03 56.97 1nvl h ASP 6 Cb 0.40 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.90 1nvl h ASP 6 CO 0.09 0.20 0.19 0.50 -1.72 0.00 0.00 179.24 178.50 1nvl h LYS 7 N 0.41 1.09 -0.03 3.56 3.64 -0.87 0.23 116.57 124.60 1nvl h LYS 7 Ca 0.19 -0.24 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1nvl h LYS 7 Cb 0.13 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 31.79 1nvl h LYS 7 CO -0.15 0.95 0.02 0.00 -2.27 0.00 0.00 179.45 177.99 1nvl h ALA 8 N 1.16 0.04 -0.60 5.00 0.00 0.63 0.02 119.26 125.50 1nvl h ALA 8 Ca 0.22 -0.03 0.12 0.00 0.00 0.00 0.00 54.91 55.23 1nvl h ALA 8 Cb 0.33 -0.01 -0.11 0.00 0.00 0.00 0.00 17.79 18.00 1nvl h ALA 8 CO -0.00 -0.43 -0.05 0.00 0.00 0.00 0.00 179.25 178.76 1nvl h ALA 9 N 0.95 0.53 -0.13 0.00 0.00 0.64 0.61 119.26 121.86 1nvl h ALA 9 Ca 0.01 0.20 0.04 0.00 0.00 0.00 0.00 54.91 55.17 1nvl h ALA 9 Cb 0.06 0.37 -0.07 0.00 0.00 0.00 0.00 17.79 18.15 1nvl h ALA 9 CO -0.00 -0.41 -0.40 0.93 0.00 0.00 0.00 179.25 179.37 1nvl h GLU 10 N 0.07 -0.46 -0.26 0.00 5.08 0.35 0.27 114.58 119.63 1nvl h GLU 10 Ca 0.31 0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.75 1nvl h GLU 10 Cb 0.49 0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.79 1nvl h GLU 10 CO -0.55 -0.31 -0.10 0.93 -1.00 0.00 0.00 179.01 177.98 1nvl h GLU 11 N -0.48 -0.05 -0.76 2.33 5.08 0.13 -1.89 114.58 118.93 1nvl h GLU 11 Ca 0.08 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 1nvl h GLU 11 Cb 0.61 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.84 1nvl h GLU 11 CO -0.39 -0.04 0.45 -0.24 -1.00 0.00 0.00 179.01 177.79 1nvl h VAL 12 N -0.06 1.22 -0.08 3.13 3.04 0.94 0.27 116.25 124.71 1nvl h VAL 12 Ca 0.13 -0.50 0.02 0.00 -1.01 0.00 0.00 66.70 65.34 1nvl h VAL 12 Cb 0.25 0.17 -0.00 0.00 -2.01 0.00 0.00 31.29 29.70 1nvl h VAL 12 CO -0.29 0.23 0.12 0.11 -1.01 0.00 0.00 177.57 176.73 1nvl h LYS 13 N 1.05 0.00 -0.19 4.17 1.57 0.06 0.28 116.57 123.51 1nvl h LYS 13 Ca 0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1nvl h LYS 13 Cb -0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1nvl h LYS 13 CO -0.05 0.00 0.00 0.72 -0.57 0.00 0.00 179.45 179.55 1nvl n HIS 14 N -3.61 0.23 -0.12 -1.35 8.25 0.07 -4.86 115.22 113.84 1nvl n HIS 14 Ca -0.01 -0.12 0.00 0.00 -0.26 0.00 0.00 57.72 57.33 1nvl n HIS 14 Cb 0.22 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.33 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 0.58 0.00 0.00 2.41 4.77 0.97 -4.78 117.00 120.94 1nvl n LEU 15 Ca 0.17 -0.54 0.00 0.00 -0.03 0.00 0.00 56.01 55.61 1nvl n LEU 15 Cb 0.40 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1nvl n LEU 15 CO 0.14 -0.67 0.00 1.17 -1.33 0.00 0.00 177.39 176.70 1nvl n LYS 16 N 3.14 0.00 -3.55 3.23 4.81 -1.25 -2.61 118.16 121.93 1nvl n LYS 16 Ca 0.00 0.00 -0.34 0.00 -0.87 0.00 0.00 58.31 57.10 1nvl n LYS 16 Cb 0.00 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 34.98 1nvl n LYS 16 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1nvl n THR 17 N -1.69 2.98 0.00 3.15 -1.04 -1.26 -5.01 114.28 111.42 1nvl n THR 17 Ca 0.00 -5.21 0.00 0.00 -2.04 0.00 0.00 64.05 56.80 1nvl n THR 17 Cb 0.00 -2.26 0.00 0.00 -1.82 0.00 0.00 70.33 66.25 1nvl n THR 17 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1nvl n LYS 18 N 1.81 0.00 -0.83 -2.82 4.81 -1.07 -4.76 118.16 115.30 1nvl n LYS 18 Ca 0.24 0.00 -0.34 0.00 -0.87 0.00 0.00 58.31 57.34 1nvl n LYS 18 Cb 0.37 0.00 0.11 0.00 0.02 0.00 0.00 35.03 35.53 1nvl n LYS 18 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1nvl n PRO 19 N 0.00 -0.54 -2.74 1.64 -0.02 -1.26 -4.91 135.00 127.16 1nvl n PRO 19 Ca 0.00 -0.14 -0.37 0.00 -2.02 0.00 0.00 63.50 60.98 1nvl n PRO 19 Cb 0.00 -1.52 -0.06 0.00 -0.02 0.00 0.00 33.50 31.90 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 -2.22 3.19 0.14 3.55 0.00 -1.26 -4.76 121.76 120.39 1nvl s ALA 20 Ca 0.50 0.55 -0.28 0.00 0.00 0.00 0.00 51.96 52.73 1nvl s ALA 20 Cb -0.14 -3.20 -0.07 0.00 0.00 0.00 0.00 23.12 19.72 1nvl s ALA 20 CO 0.70 0.11 1.48 -0.44 0.00 0.00 0.00 175.76 177.61 1nvl h ASP 21 N 3.01 -1.87 -1.00 0.00 5.19 -1.98 0.14 116.42 119.91 1nvl h ASP 21 Ca -0.47 0.28 0.36 0.00 -0.62 0.00 0.00 57.03 56.58 1nvl h ASP 21 Cb 1.19 0.82 -0.16 0.00 0.18 0.00 0.00 39.33 41.36 1nvl h ASP 21 CO 0.64 -0.23 0.52 -0.33 -3.12 0.00 0.00 179.24 176.72 1nvl h GLU 22 N -0.07 0.15 0.18 3.56 5.08 -1.99 0.51 114.58 122.01 1nvl h GLU 22 Ca 0.13 -0.01 -0.23 0.00 -1.00 0.00 0.00 59.36 58.24 1nvl h GLU 22 Cb 0.39 -0.03 0.03 0.00 0.50 0.00 0.00 28.75 29.63 1nvl h GLU 22 CO -0.78 0.10 -1.03 0.93 -1.00 0.00 0.00 179.01 177.24 1nvl h GLU 23 N 0.16 0.37 -0.22 2.33 4.39 -1.38 -3.15 114.58 117.09 1nvl h GLU 23 Ca 0.78 -0.64 0.05 0.00 0.34 0.00 0.00 59.36 59.89 1nvl h GLU 23 Cb 1.90 0.24 -0.07 0.00 -0.10 0.00 0.00 28.75 30.72 1nvl h GLU 23 CO -0.70 1.31 -0.41 0.52 -1.16 0.00 0.00 179.01 178.57 1nvl h MET 24 N -0.21 -0.41 -0.84 2.33 2.86 0.20 -1.77 114.93 117.08 1nvl h MET 24 Ca -0.18 0.03 0.11 0.00 -2.06 0.00 0.00 59.70 57.60 1nvl h MET 24 Cb 1.81 0.09 -0.12 0.00 0.06 0.00 0.00 31.60 33.44 1nvl h MET 24 CO 0.19 -0.27 -0.39 1.28 1.06 0.00 0.00 176.91 178.77 1nvl n LEU 25 N -5.43 -0.67 -0.02 1.22 4.77 0.14 0.26 117.00 117.27 1nvl n LEU 25 Ca -0.03 1.48 -0.09 0.00 -0.03 0.00 0.00 56.01 57.34 1nvl n LEU 25 Cb 0.35 -0.28 -0.04 0.00 -2.33 0.00 0.00 43.42 41.12 1nvl n LEU 25 CO 0.10 -1.29 0.84 0.15 -1.33 0.00 0.00 177.39 175.87 1nvl h PHE 26 N 0.00 -0.07 -0.37 -1.77 3.04 -1.29 0.14 116.94 116.61 1nvl h PHE 26 Ca 0.24 0.01 -0.00 0.00 3.98 0.00 0.00 57.97 62.20 1nvl h PHE 26 Cb 0.45 0.06 -0.02 0.00 2.56 0.00 0.00 35.95 38.99 1nvl h PHE 26 CO -0.79 -0.06 0.23 0.82 -2.02 0.00 0.00 178.31 176.49 1nvl h ILE 27 N 0.00 1.12 0.30 1.41 1.08 0.28 0.15 117.51 121.85 1nvl h ILE 27 Ca 0.07 -0.27 0.00 0.00 -0.39 0.00 0.00 64.86 64.27 1nvl h ILE 27 Cb 0.11 0.62 -0.03 0.00 -3.07 0.00 0.00 36.82 34.45 1nvl h ILE 27 CO -0.15 0.12 -0.39 0.22 -0.69 0.00 0.00 178.15 177.26 1nvl h TYR 28 N 0.49 -1.07 0.28 1.37 3.20 -0.04 0.34 116.97 121.54 1nvl h TYR 28 Ca 0.13 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.02 1nvl h TYR 28 Cb -0.01 0.43 -0.03 0.00 1.54 0.00 0.00 36.73 38.66 1nvl h TYR 28 CO -0.04 -0.52 -0.49 0.66 -1.64 0.00 0.00 178.16 176.13 1nvl h SER 29 N -0.74 -1.42 -0.37 -2.11 4.64 -0.76 0.34 113.55 113.13 1nvl h SER 29 Ca -0.01 0.13 0.07 0.00 -0.47 0.00 0.00 61.79 61.51 1nvl h SER 29 Cb 0.69 0.50 -0.06 0.00 -0.31 0.00 0.00 62.40 63.23 1nvl h SER 29 CO -0.12 -0.57 0.01 0.45 -0.87 0.00 0.00 176.83 175.73 1nvl h HIS 30 N -0.82 0.00 0.23 4.77 3.86 -0.61 0.22 115.15 122.80 1nvl h HIS 30 Ca -0.03 0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.21 1nvl h HIS 30 Cb 0.77 0.06 -0.02 0.00 1.06 0.00 0.00 27.41 29.27 1nvl h HIS 30 CO -0.36 -0.06 -0.28 -0.92 0.86 0.00 0.00 177.93 177.18 1nvl h TYR 31 N 0.11 -0.75 -0.48 2.45 3.20 0.01 0.47 116.97 121.98 1nvl h TYR 31 Ca 0.18 0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.14 1nvl h TYR 31 Cb 0.24 0.30 -0.07 0.00 1.54 0.00 0.00 36.73 38.75 1nvl h TYR 31 CO -0.24 -0.40 0.08 0.87 -1.64 0.00 0.00 178.16 176.83 1nvl h LYS 32 N -0.56 0.21 -0.45 1.82 6.56 0.01 0.28 116.57 124.43 1nvl h LYS 32 Ca 0.00 -0.01 -0.01 0.00 -1.06 0.00 0.00 60.65 59.57 1nvl h LYS 32 Cb 0.54 -0.05 -0.02 0.00 -0.57 0.00 0.00 32.23 32.13 1nvl h LYS 32 CO -0.09 0.14 0.26 0.37 -2.06 0.00 0.00 179.45 178.07 1nvl h GLN 33 N 0.21 0.62 -0.00 3.15 4.15 -0.29 0.27 115.11 123.22 1nvl h GLN 33 Ca 0.24 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.60 1nvl h GLN 33 Cb 0.32 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 27.89 1nvl h GLN 33 CO -0.33 0.47 -0.03 0.00 -1.93 0.00 0.00 178.83 177.01 1nvl n ALA 34 N -2.26 2.61 -0.03 3.38 0.00 0.13 -2.46 120.51 121.88 1nvl n ALA 34 Ca 0.01 -0.20 -0.08 0.00 0.00 0.00 0.00 53.44 53.18 1nvl n ALA 34 Cb 0.07 -1.44 -0.03 0.00 0.00 0.00 0.00 19.45 18.05 1nvl n ALA 34 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1nvl n THR 35 N -1.11 0.57 -0.09 0.00 -2.24 0.00 -4.86 114.28 106.56 1nvl n THR 35 Ca 0.16 -0.05 -0.14 0.00 -2.27 0.00 0.00 64.05 61.74 1nvl n THR 35 Cb 0.23 -1.64 -0.07 0.00 -2.10 0.00 0.00 70.33 66.75 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 -3.43 1.48 0.00 2.28 0.31 -0.08 -5.08 118.33 113.81 1nvl n VAL 36 Ca -0.15 0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 1nvl n VAL 36 Cb 0.55 -2.20 0.00 0.00 -0.91 0.00 0.00 33.84 31.28 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 1.50 1.45 3.84 2.92 0.00 -0.26 -5.00 105.19 109.64 1nvl n GLY 37 Ca -0.22 -0.94 -0.35 0.00 0.00 0.00 0.00 46.02 44.51 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 6.86 -0.95 1.61 1.11 -1.26 -3.93 116.67 116.11 1nvl s ASP 38 Ca 0.00 1.16 -0.24 0.00 0.18 0.00 0.00 52.55 53.65 1nvl s ASP 38 Cb 0.00 -2.32 -0.05 0.00 1.07 0.00 0.00 42.92 41.62 1nvl s ASP 38 CO 0.00 0.04 1.93 -0.51 1.18 0.00 0.00 175.17 177.80 1nvl s ILE 39 N -1.57 3.48 -0.22 0.77 2.07 -1.26 -4.72 121.20 119.75 1nvl s ILE 39 Ca 0.42 -0.46 0.02 0.00 -1.41 0.00 0.00 60.65 59.21 1nvl s ILE 39 Cb -0.15 -4.12 0.30 0.00 0.13 0.00 0.00 42.46 38.62 1nvl s ILE 39 CO 0.20 -0.99 1.39 -0.46 -1.91 0.00 0.00 174.94 173.17 1nvl n ASN 40 N 13.83 3.32 -4.72 4.50 6.94 -1.26 -4.81 115.26 133.07 1nvl n ASN 40 Ca 0.41 -2.70 -0.29 0.00 -0.02 0.00 0.00 54.58 51.97 1nvl n ASN 40 Cb 0.47 -0.65 -0.08 0.00 -2.36 0.00 0.00 39.78 37.16 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 -1.47 1.72 0.29 5.53 -4.23 -1.26 -5.16 115.64 111.06 1nvl s THR 41 Ca 0.25 -1.90 0.08 0.00 -1.18 0.00 0.00 61.69 58.93 1nvl s THR 41 Cb 0.21 -2.62 -0.03 0.00 1.34 0.00 0.00 72.50 71.39 1nvl s THR 41 CO 0.05 0.00 0.21 -1.83 -0.54 0.00 0.00 174.62 172.51 1nvl s GLU 42 N -3.85 2.74 -0.27 3.99 -1.05 -1.26 -5.06 118.70 113.93 1nvl s GLU 42 Ca 0.25 -1.22 -0.29 0.00 -0.15 0.00 0.00 54.97 53.56 1nvl s GLU 42 Cb 0.05 -2.46 -0.02 0.00 -0.44 0.00 0.00 34.13 31.26 1nvl s GLU 42 CO 0.14 0.26 1.71 0.50 0.95 0.00 0.00 175.26 178.82 1nvl s ARG 43 N -3.88 3.58 -0.36 -4.83 3.52 -1.26 -4.93 118.95 110.78 1nvl s ARG 43 Ca 0.36 1.56 -0.42 0.00 -0.13 0.00 0.00 55.73 57.11 1nvl s ARG 43 Cb -0.06 -4.12 -0.17 0.00 -1.56 0.00 0.00 34.95 29.04 1nvl s ARG 43 CO 0.25 -1.56 1.80 -2.30 -0.81 0.00 0.00 175.30 172.68 1nvl n PRO 44 N 8.04 0.76 -0.06 5.12 -0.02 -1.26 -4.89 135.00 142.70 1nvl n PRO 44 Ca 0.21 0.27 0.05 0.00 -2.02 0.00 0.00 63.50 62.00 1nvl n PRO 44 Cb 0.46 -1.94 0.19 0.00 -0.02 0.00 0.00 33.50 32.19 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 4.73 -0.42 0.00 -1.23 0.00 -1.26 -4.33 105.19 102.68 1nvl n GLY 45 Ca 0.32 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.19 0.00 -3.59 1.61 2.81 -1.26 -5.07 117.12 111.43 1nvl n MET 46 Ca 0.08 0.01 -0.20 0.00 -1.81 0.00 0.00 57.70 55.78 1nvl n MET 46 Cb 0.13 -0.27 -0.02 0.00 -0.71 0.00 0.00 33.22 32.35 1nvl n MET 46 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1nvl s LEU 47 N -3.95 3.68 -0.04 4.03 1.43 -1.26 -5.09 118.68 117.48 1nvl s LEU 47 Ca 0.00 -0.44 -0.04 0.00 -1.03 0.00 0.00 54.13 52.62 1nvl s LEU 47 Cb 0.00 -2.39 -0.01 0.00 0.03 0.00 0.00 46.19 43.81 1nvl s LEU 47 CO 0.00 -0.47 -0.08 0.47 0.23 0.00 0.00 176.35 176.50 1nvl n ASP 48 N -1.53 0.47 0.05 2.29 8.00 -1.26 -3.14 116.55 121.43 1nvl n ASP 48 Ca 0.01 0.11 -0.15 0.00 0.71 0.00 0.00 54.79 55.47 1nvl n ASP 48 Cb 0.59 -0.56 -0.09 0.00 -0.02 0.00 0.00 41.12 41.04 1nvl n ASP 48 CO 0.00 0.00 0.00 2.19 -0.39 0.00 0.00 177.20 179.00 1nvl h PHE 49 N -0.24 -1.49 -2.70 1.24 -0.00 -1.98 0.41 116.94 112.18 1nvl h PHE 49 Ca 0.00 0.05 -0.80 0.00 -0.00 0.00 0.00 57.97 57.22 1nvl h PHE 49 Cb 0.23 0.65 -0.25 0.00 -0.00 0.00 0.00 35.95 36.58 1nvl h PHE 49 CO -0.10 -0.54 0.99 1.17 -0.00 0.00 0.00 178.31 179.83 1nvl n LYS 50 N -5.29 4.16 0.00 6.09 4.81 -1.26 -2.27 118.16 124.39 1nvl n LYS 50 Ca -0.07 -4.33 0.00 0.00 -0.87 0.00 0.00 58.31 53.04 1nvl n LYS 50 Cb 0.38 -2.61 0.00 0.00 0.02 0.00 0.00 35.03 32.81 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 1.88 -2.10 0.18 3.14 0.00 -0.97 -4.60 105.19 102.71 1nvl n GLY 51 Ca 0.29 0.73 -0.12 0.00 0.00 0.00 0.00 46.02 46.91 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 0.54 0.57 1.61 6.56 -0.30 -0.70 116.57 124.86 1nvl h LYS 52 Ca 0.00 -0.24 -0.03 0.00 -1.06 0.00 0.00 60.65 59.32 1nvl h LYS 52 Cb 0.00 -0.01 0.01 0.00 -0.57 0.00 0.00 32.23 31.65 1nvl h LYS 52 CO 0.00 0.80 -0.28 0.00 -2.06 0.00 0.00 179.45 177.91 1nvl h ALA 53 N 0.73 -1.08 -0.20 3.86 0.00 -0.68 0.57 119.26 122.44 1nvl h ALA 53 Ca 0.06 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 54.86 1nvl h ALA 53 Cb 0.64 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1nvl h ALA 53 CO 0.04 -1.03 0.35 1.57 0.00 0.00 0.00 179.25 180.18 1nvl h LYS 54 N -0.85 0.00 0.00 0.00 2.10 -1.54 0.31 116.57 116.59 1nvl h LYS 54 Ca -0.08 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.57 1nvl h LYS 54 Cb 0.59 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.92 1nvl h LYS 54 CO 0.13 0.00 -0.02 2.35 -2.00 0.00 0.00 179.45 179.91 1nvl h TRP 55 N 0.00 0.00 -0.24 0.07 7.01 -0.39 -3.29 115.95 119.12 1nvl h TRP 55 Ca 0.10 0.00 0.02 0.00 2.11 0.00 0.00 58.89 61.12 1nvl h TRP 55 Cb 0.79 0.00 -0.03 0.00 -2.10 0.00 0.00 29.16 27.82 1nvl h TRP 55 CO 0.00 0.00 -0.14 -0.25 -2.79 0.00 0.00 178.44 175.26 1nvl n ASP 56 N -2.95 -0.25 -0.47 2.65 8.00 0.19 0.49 116.55 124.22 1nvl n ASP 56 Ca -0.00 0.71 0.40 0.00 0.71 0.00 0.00 54.79 56.61 1nvl n ASP 56 Cb 0.01 -0.20 0.67 0.00 -0.02 0.00 0.00 41.12 41.58 1nvl n ASP 56 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1nvl n ALA 57 N -3.01 1.36 -0.09 2.24 0.00 0.11 -0.03 120.51 121.09 1nvl n ALA 57 Ca 0.00 0.84 -0.13 0.00 0.00 0.00 0.00 53.44 54.15 1nvl n ALA 57 Cb 0.06 -1.04 -0.14 0.00 0.00 0.00 0.00 19.45 18.33 1nvl n ALA 57 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 1nvl n TRP 58 N -4.63 0.27 -0.17 0.00 -0.00 0.18 -4.17 117.44 108.92 1nvl n TRP 58 Ca 0.40 0.08 -0.02 0.00 -0.00 0.00 0.00 57.50 57.96 1nvl n TRP 58 Cb 1.55 -1.04 0.21 0.00 -0.00 0.00 0.00 31.31 32.03 1nvl n TRP 58 CO 0.00 0.00 0.00 -0.97 -0.00 0.00 0.00 177.69 176.72 1nvl h ASN 59 N 0.01 0.82 0.07 5.87 -1.24 0.33 0.40 115.58 121.83 1nvl h ASN 59 Ca -0.51 -0.09 0.00 0.00 0.71 0.00 0.00 56.30 56.41 1nvl h ASN 59 Cb 2.09 -0.21 0.00 0.00 0.73 0.00 0.00 38.32 40.93 1nvl h ASN 59 CO 0.01 0.71 0.00 -0.62 -1.29 0.00 0.00 177.43 176.24 1nvl n GLU 60 N -4.34 0.14 -0.00 6.67 1.02 0.94 -1.70 120.64 123.37 1nvl n GLU 60 Ca 0.06 0.62 0.04 0.00 -0.02 0.00 0.00 57.16 57.86 1nvl n GLU 60 Cb 0.14 -1.95 -0.06 0.00 -0.02 0.00 0.00 31.44 29.56 1nvl n GLU 60 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1nvl n LEU 61 N -2.25 0.33 -4.65 -4.62 4.77 0.02 -5.01 117.00 105.58 1nvl n LEU 61 Ca -0.01 -0.38 -0.62 0.00 -0.03 0.00 0.00 56.01 54.97 1nvl n LEU 61 Cb 0.05 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.05 1nvl n LEU 61 CO 0.10 0.08 1.33 1.17 -1.33 0.00 0.00 177.39 178.75 1nvl n LYS 62 N -1.37 0.49 0.00 3.23 4.81 -0.52 -1.26 118.16 123.53 1nvl n LYS 62 Ca 0.01 0.17 0.00 0.00 -0.87 0.00 0.00 58.31 57.62 1nvl n LYS 62 Cb 0.17 -1.78 0.00 0.00 0.02 0.00 0.00 35.03 33.44 1nvl n LYS 62 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1nvl n GLY 63 N 4.70 1.63 3.79 3.14 0.00 -1.26 -5.03 105.19 112.16 1nvl n GLY 63 Ca 0.33 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.79 3.48 0.28 2.61 2.01 -0.39 -4.98 115.64 116.87 1nvl s THR 64 Ca 0.00 0.84 -0.29 0.00 0.31 0.00 0.00 61.69 62.55 1nvl s THR 64 Cb 0.00 -3.33 -0.10 0.00 0.01 0.00 0.00 72.50 69.08 1nvl s THR 64 CO 0.00 -0.28 1.33 -0.44 -0.69 0.00 0.00 174.62 174.55 1nvl s SER 65 N -2.15 6.78 0.24 3.53 0.01 -1.26 -4.88 113.70 115.98 1nvl s SER 65 Ca 0.69 2.61 -0.14 0.00 1.31 0.00 0.00 55.95 60.42 1nvl s SER 65 Cb -0.20 -2.63 0.30 0.00 0.21 0.00 0.00 66.02 63.70 1nvl s SER 65 CO 0.29 -0.56 1.49 0.29 0.41 0.00 0.00 173.24 175.16 1nvl n LYS 66 N 1.54 -0.18 -0.34 12.44 5.02 -1.26 -1.79 118.16 133.59 1nvl n LYS 66 Ca 0.03 1.48 0.02 0.00 -2.02 0.00 0.00 58.31 57.82 1nvl n LYS 66 Cb 0.42 -2.21 0.08 0.00 -0.02 0.00 0.00 35.03 33.30 1nvl n LYS 66 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1nvl h GLU 67 N 0.00 -0.02 -0.77 1.97 5.08 -1.92 0.38 114.58 119.30 1nvl h GLU 67 Ca 0.37 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.68 1nvl h GLU 67 Cb 0.61 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.83 1nvl h GLU 67 CO -0.96 -0.01 0.28 -0.44 -1.00 0.00 0.00 179.01 176.88 1nvl h ASP 68 N -0.02 1.09 -0.37 1.42 5.19 -1.72 0.17 116.42 122.17 1nvl h ASP 68 Ca 0.39 -0.18 -0.04 0.00 -0.62 0.00 0.00 57.03 56.57 1nvl h ASP 68 Cb 0.64 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 39.85 1nvl h ASP 68 CO -0.94 0.98 0.08 0.00 -3.12 0.00 0.00 179.24 176.23 1nvl h ALA 69 N 1.17 0.49 0.14 3.45 0.00 -0.71 -2.55 119.26 121.25 1nvl h ALA 69 Ca 0.26 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1nvl h ALA 69 Cb 0.25 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1nvl h ALA 69 CO -0.02 0.18 -0.19 0.52 0.00 0.00 0.00 179.25 179.75 1nvl h MET 70 N 0.46 -0.37 -0.71 0.00 2.86 0.75 0.74 114.93 118.67 1nvl h MET 70 Ca 0.12 0.03 0.18 0.00 -2.06 0.00 0.00 59.70 57.96 1nvl h MET 70 Cb 0.33 0.08 -0.04 0.00 0.06 0.00 0.00 31.60 32.04 1nvl h MET 70 CO 0.00 -0.25 0.50 -0.22 1.06 0.00 0.00 176.91 178.00 1nvl h LYS 71 N -0.38 0.13 0.00 1.72 1.63 -0.52 0.28 116.57 119.43 1nvl h LYS 71 Ca 0.02 -0.01 -0.12 0.00 -0.85 0.00 0.00 60.65 59.69 1nvl h LYS 71 Cb 0.39 -0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 31.96 1nvl h LYS 71 CO -0.08 0.09 -1.81 0.00 -3.45 0.00 0.00 179.45 174.20 1nvl n ALA 72 N -2.62 2.27 0.28 5.00 0.00 -0.91 -3.22 120.51 121.32 1nvl n ALA 72 Ca 0.14 -0.67 -0.12 0.00 0.00 0.00 0.00 53.44 52.80 1nvl n ALA 72 Cb 0.69 -0.72 -0.06 0.00 0.00 0.00 0.00 19.45 19.36 1nvl n ALA 72 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1nvl h TYR 73 N 0.00 -0.70 -0.90 0.00 3.20 0.22 0.37 116.97 119.17 1nvl h TYR 73 Ca -0.16 -0.02 0.16 0.00 3.14 0.00 0.00 58.73 61.85 1nvl h TYR 73 Cb 1.41 0.23 -0.07 0.00 1.54 0.00 0.00 36.73 39.84 1nvl h TYR 73 CO 0.00 -0.44 0.58 0.82 -1.64 0.00 0.00 178.16 177.48 1nvl h ILE 74 N -1.04 0.80 0.00 1.81 2.04 -0.71 0.32 117.51 120.73 1nvl h ILE 74 Ca -0.08 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.56 1nvl h ILE 74 Cb 0.58 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.75 1nvl h ILE 74 CO 0.13 0.12 0.00 0.47 0.00 0.00 0.00 178.15 178.87 1nvl n ASP 75 N -4.57 0.00 -0.27 1.72 9.92 -1.16 -1.25 116.55 120.94 1nvl n ASP 75 Ca 0.18 0.64 0.00 0.00 -0.53 0.00 0.00 54.79 55.09 1nvl n ASP 75 Cb 0.51 -0.31 0.05 0.00 -0.64 0.00 0.00 41.12 40.73 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 -1.43 -0.14 -0.19 -1.24 3.00 0.11 0.31 118.16 118.58 1nvl n LYS 76 Ca 0.00 1.11 -0.07 0.00 -0.00 0.00 0.00 58.31 59.35 1nvl n LYS 76 Cb 0.00 -1.64 -0.01 0.00 0.00 0.00 0.00 35.03 33.37 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 0.15 -0.35 3.15 2.07 -0.29 0.42 116.25 121.39 1nvl h VAL 77 Ca 0.27 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.87 1nvl h VAL 77 Cb 0.45 0.15 -0.07 0.00 -1.52 0.00 0.00 31.29 30.29 1nvl h VAL 77 CO -0.72 0.00 -0.15 -0.08 0.02 0.00 0.00 177.57 176.64 1nvl h GLU 78 N -0.21 -0.08 -0.54 1.57 4.22 0.63 0.38 114.58 120.54 1nvl h GLU 78 Ca 0.20 0.01 0.11 0.00 0.08 0.00 0.00 59.36 59.75 1nvl h GLU 78 Cb 0.56 0.02 -0.09 0.00 0.50 0.00 0.00 28.75 29.74 1nvl h GLU 78 CO -0.66 -0.05 0.01 0.93 -2.18 0.00 0.00 179.01 177.06 1nvl h GLU 79 N -0.08 0.12 -0.39 1.92 5.08 0.22 0.18 114.58 121.63 1nvl h GLU 79 Ca 0.18 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.56 1nvl h GLU 79 Cb 0.35 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 1nvl h GLU 79 CO -0.41 0.08 0.19 -0.07 -1.00 0.00 0.00 179.01 177.80 1nvl h LEU 80 N 0.12 0.28 -0.03 1.33 3.38 0.67 0.27 115.31 121.34 1nvl h LEU 80 Ca 0.28 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.29 1nvl h LEU 80 Cb 0.43 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 1nvl h LEU 80 CO -0.45 0.21 -0.10 0.50 0.09 0.00 0.00 178.44 178.69 1nvl h LYS 81 N 0.39 -0.15 0.00 1.13 3.64 0.18 0.33 116.57 122.10 1nvl h LYS 81 Ca 0.17 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.51 1nvl h LYS 81 Cb 0.07 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 1nvl h LYS 81 CO -0.12 -0.10 -0.24 0.87 -2.27 0.00 0.00 179.45 177.60 1nvl h LYS 82 N -0.16 0.00 0.11 1.90 1.79 -0.11 -2.27 116.57 117.83 1nvl h LYS 82 Ca 0.05 0.00 -0.25 0.00 -2.18 0.00 0.00 60.65 58.27 1nvl h LYS 82 Cb 0.22 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.87 1nvl h LYS 82 CO -0.12 0.24 -1.24 0.87 -1.08 0.00 0.00 179.45 178.11 1nvl h LYS 83 N 0.00 0.23 0.00 3.15 1.57 -0.03 -3.43 116.57 118.06 1nvl h LYS 83 Ca -0.00 -0.39 -0.29 0.00 -1.87 0.00 0.00 60.65 58.09 1nvl h LYS 83 Cb 0.44 0.14 -0.05 0.00 0.08 0.00 0.00 32.23 32.84 1nvl h LYS 83 CO 0.03 1.19 -2.04 0.66 -0.57 0.00 0.00 179.45 178.72 1nvl n TYR 84 N -4.02 0.42 -0.04 -1.35 4.01 0.11 -5.07 117.16 111.21 1nvl n TYR 84 Ca -0.23 0.15 0.00 0.00 -0.16 0.00 0.00 57.90 57.66 1nvl n TYR 84 Cb 0.86 -1.03 0.00 0.00 -0.31 0.00 0.00 39.34 38.86 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 1.61 0.52 0.00 2.72 0.00 -0.86 -4.24 105.19 104.94 1nvl n GLY 85 Ca -0.23 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 44.84 1nvl n GLY 85 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83