#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 3.06 0.51 4.33 -2.07 -1.26 -4.96 119.66 119.27 1nvl s GLN 2 Ca 0.00 -0.83 0.19 0.00 -1.82 0.00 0.00 55.36 52.89 1nvl s GLN 2 Cb 0.00 -3.97 0.65 0.00 -1.09 0.00 0.00 33.01 28.59 1nvl s GLN 2 CO 0.00 -0.83 1.03 0.00 -1.32 0.00 0.00 175.29 174.18 1nvl n ALA 3 N 5.48 0.71 0.15 2.60 0.00 -1.26 -0.04 120.51 128.15 1nvl n ALA 3 Ca -0.08 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1nvl n ALA 3 Cb 0.47 -0.42 0.26 0.00 0.00 0.00 0.00 19.45 19.76 1nvl n ALA 3 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1nvl h GLU 4 N 0.00 0.05 -0.00 0.00 4.39 -1.97 0.27 114.58 117.31 1nvl h GLU 4 Ca 0.35 -0.02 -0.10 0.00 0.34 0.00 0.00 59.36 59.92 1nvl h GLU 4 Cb 2.32 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 30.98 1nvl h GLU 4 CO -0.00 0.52 -0.40 0.35 -1.16 0.00 0.00 179.01 178.31 1nvl h PHE 5 N 0.04 0.41 -0.10 4.33 3.57 -0.84 0.26 116.94 124.61 1nvl h PHE 5 Ca -0.00 -0.22 0.03 0.00 3.53 0.00 0.00 57.97 61.31 1nvl h PHE 5 Cb 0.86 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.52 1nvl h PHE 5 CO 0.00 1.03 -0.10 -0.44 -2.23 0.00 0.00 178.31 176.57 1nvl h ASP 6 N -0.33 -0.32 -0.53 0.41 5.19 -1.49 0.33 116.42 119.69 1nvl h ASP 6 Ca -0.05 0.06 0.05 0.00 -0.62 0.00 0.00 57.03 56.47 1nvl h ASP 6 Cb 1.14 0.16 -0.04 0.00 0.18 0.00 0.00 39.33 40.77 1nvl h ASP 6 CO 0.08 -0.14 0.27 0.50 -3.12 0.00 0.00 179.24 176.84 1nvl h LYS 7 N -0.13 0.52 -0.21 3.56 3.64 -0.45 0.25 116.57 123.75 1nvl h LYS 7 Ca 0.07 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.45 1nvl h LYS 7 Cb 0.23 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.91 1nvl h LYS 7 CO -0.18 0.34 0.02 0.00 -2.27 0.00 0.00 179.45 177.37 1nvl h ALA 8 N 1.28 0.20 0.21 5.00 0.00 0.12 0.10 119.26 126.17 1nvl h ALA 8 Ca 0.23 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.20 1nvl h ALA 8 Cb 0.13 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1nvl h ALA 8 CO -0.16 -0.41 -0.32 0.00 0.00 0.00 0.00 179.25 178.36 1nvl h ALA 9 N 1.16 -0.61 -0.53 0.00 0.00 0.17 0.53 119.26 119.98 1nvl h ALA 9 Ca 0.10 -0.08 0.10 0.00 0.00 0.00 0.00 54.91 55.04 1nvl h ALA 9 Cb 0.11 0.50 -0.11 0.00 0.00 0.00 0.00 17.79 18.29 1nvl h ALA 9 CO -0.14 -0.89 -0.23 0.93 0.00 0.00 0.00 179.25 178.91 1nvl h GLU 10 N -0.60 -0.10 -0.49 0.00 5.08 -0.15 0.17 114.58 118.48 1nvl h GLU 10 Ca 0.01 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 1nvl h GLU 10 Cb 0.59 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 1nvl h GLU 10 CO -0.13 -0.07 0.18 0.93 -1.00 0.00 0.00 179.01 178.92 1nvl h GLU 11 N -0.10 0.74 -0.35 2.33 5.08 -0.11 -2.81 114.58 119.36 1nvl h GLU 11 Ca 0.24 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 1nvl h GLU 11 Cb 0.49 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 1nvl h GLU 11 CO -0.60 0.67 0.15 -0.24 -1.00 0.00 0.00 179.01 177.99 1nvl h VAL 12 N 0.65 1.18 -0.03 3.13 3.04 0.16 -0.11 116.25 124.28 1nvl h VAL 12 Ca 0.16 -0.54 0.01 0.00 -1.01 0.00 0.00 66.70 65.32 1nvl h VAL 12 Cb 0.22 0.88 -0.00 0.00 -2.01 0.00 0.00 31.29 30.37 1nvl h VAL 12 CO -0.01 0.19 0.08 0.11 -1.01 0.00 0.00 177.57 176.94 1nvl h LYS 13 N 0.43 0.00 -0.17 4.17 1.57 -0.69 0.47 116.57 122.35 1nvl h LYS 13 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1nvl h LYS 13 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.47 1nvl h LYS 13 CO -0.01 0.00 0.00 0.72 -0.57 0.00 0.00 179.45 179.59 1nvl n HIS 14 N -3.29 0.21 -0.33 -1.35 8.25 -0.07 -4.57 115.22 114.07 1nvl n HIS 14 Ca -0.02 -0.11 -0.02 0.00 -0.26 0.00 0.00 57.72 57.31 1nvl n HIS 14 Cb 0.16 0.00 -0.04 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 0.28 2.38 0.00 2.41 4.77 0.16 -4.72 117.00 122.28 1nvl n LEU 15 Ca 0.16 -1.37 0.00 0.00 -0.03 0.00 0.00 56.01 54.77 1nvl n LEU 15 Cb 0.31 -0.57 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 1nvl n LEU 15 CO 0.13 0.47 0.00 2.29 -1.33 0.00 0.00 177.39 178.95 1nvl n LYS 16 N 2.24 0.00 -1.63 3.23 2.85 -1.26 -3.13 118.16 120.45 1nvl n LYS 16 Ca 0.09 0.00 -0.41 0.00 -1.05 0.00 0.00 58.31 56.94 1nvl n LYS 16 Cb 0.31 0.00 -0.01 0.00 -0.65 0.00 0.00 35.03 34.68 1nvl n LYS 16 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 1nvl n THR 17 N -1.74 3.83 0.00 0.58 -1.04 -1.26 -4.88 114.28 109.77 1nvl n THR 17 Ca 0.00 -2.98 0.00 0.00 -2.04 0.00 0.00 64.05 59.03 1nvl n THR 17 Cb 0.00 -2.59 0.00 0.00 -1.82 0.00 0.00 70.33 65.92 1nvl n THR 17 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1nvl n LYS 18 N 5.05 0.00 -0.85 -2.82 5.02 -1.18 -4.75 118.16 118.63 1nvl n LYS 18 Ca 0.60 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 56.55 1nvl n LYS 18 Cb 0.33 0.00 0.10 0.00 -0.02 0.00 0.00 35.03 35.44 1nvl n LYS 18 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1nvl n PRO 19 N 0.00 -0.36 -2.58 1.97 -0.02 -1.26 -4.92 135.00 127.83 1nvl n PRO 19 Ca 0.00 -0.08 -0.37 0.00 -2.02 0.00 0.00 63.50 61.04 1nvl n PRO 19 Cb 0.00 -1.56 -0.04 0.00 -0.02 0.00 0.00 33.50 31.87 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 -2.25 3.12 0.17 3.55 0.00 -1.26 -4.72 121.76 120.37 1nvl s ALA 20 Ca 0.51 0.67 -0.29 0.00 0.00 0.00 0.00 51.96 52.86 1nvl s ALA 20 Cb -0.17 -3.26 -0.02 0.00 0.00 0.00 0.00 23.12 19.66 1nvl s ALA 20 CO 0.71 -0.14 1.54 -0.44 0.00 0.00 0.00 175.76 177.44 1nvl h ASP 21 N 2.66 -1.99 -1.13 0.00 5.19 -1.98 0.26 116.42 119.42 1nvl h ASP 21 Ca -0.48 0.31 0.32 0.00 -0.62 0.00 0.00 57.03 56.57 1nvl h ASP 21 Cb 1.21 0.89 -0.10 0.00 0.18 0.00 0.00 39.33 41.51 1nvl h ASP 21 CO 0.63 -0.26 0.74 -0.33 -3.12 0.00 0.00 179.24 176.89 1nvl h GLU 22 N -0.06 0.27 0.02 3.56 3.07 -1.99 0.48 114.58 119.92 1nvl h GLU 22 Ca 0.18 -0.02 -0.03 0.00 -0.50 0.00 0.00 59.36 58.99 1nvl h GLU 22 Cb 0.47 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.32 1nvl h GLU 22 CO -0.90 0.18 -0.14 0.93 -1.40 0.00 0.00 179.01 177.68 1nvl h GLU 23 N 0.27 0.06 -0.56 2.33 4.39 -0.97 -2.84 114.58 117.26 1nvl h GLU 23 Ca 0.66 -0.09 0.10 0.00 0.34 0.00 0.00 59.36 60.38 1nvl h GLU 23 Cb 1.88 0.03 -0.11 0.00 -0.10 0.00 0.00 28.75 30.45 1nvl h GLU 23 CO -0.32 0.98 -0.30 0.52 -1.16 0.00 0.00 179.01 178.73 1nvl h MET 24 N -0.80 -0.14 -0.65 2.33 2.86 0.12 -1.33 114.93 117.31 1nvl h MET 24 Ca -0.02 0.01 0.09 0.00 -2.06 0.00 0.00 59.70 57.72 1nvl h MET 24 Cb 1.04 0.03 -0.11 0.00 0.06 0.00 0.00 31.60 32.62 1nvl h MET 24 CO 0.03 -0.10 -0.47 -0.07 1.06 0.00 0.00 176.91 177.36 1nvl h LEU 25 N -0.15 -1.65 0.40 1.22 3.38 -0.19 0.40 115.31 118.71 1nvl h LEU 25 Ca 0.24 0.26 -0.01 0.00 0.09 0.00 0.00 57.88 58.46 1nvl h LEU 25 Cb 0.53 0.74 -0.01 0.00 0.09 0.00 0.00 40.66 42.02 1nvl h LEU 25 CO -0.65 -0.33 -0.27 0.15 0.09 0.00 0.00 178.44 177.43 1nvl h PHE 26 N -0.20 -0.72 -0.53 1.13 3.04 -1.02 0.32 116.94 118.96 1nvl h PHE 26 Ca 0.17 -0.00 0.08 0.00 3.98 0.00 0.00 57.97 62.20 1nvl h PHE 26 Cb 0.55 0.26 -0.06 0.00 2.56 0.00 0.00 35.95 39.26 1nvl h PHE 26 CO -0.77 -0.41 0.18 0.82 -2.02 0.00 0.00 178.31 176.11 1nvl h ILE 27 N -0.66 0.80 0.61 1.41 1.08 -0.58 0.97 117.51 121.15 1nvl h ILE 27 Ca -0.04 -0.12 -0.02 0.00 -0.39 0.00 0.00 64.86 64.28 1nvl h ILE 27 Cb 0.55 0.41 -0.01 0.00 -3.07 0.00 0.00 36.82 34.70 1nvl h ILE 27 CO 0.02 0.07 -0.47 0.22 -0.69 0.00 0.00 178.15 177.30 1nvl h TYR 28 N 0.36 -1.27 0.05 1.37 5.03 0.10 0.53 116.97 123.13 1nvl h TYR 28 Ca 0.26 -0.00 0.02 0.00 2.58 0.00 0.00 58.73 61.58 1nvl h TYR 28 Cb 0.29 0.48 -0.05 0.00 1.55 0.00 0.00 36.73 39.00 1nvl h TYR 28 CO -0.17 -0.66 -0.49 0.66 -1.32 0.00 0.00 178.16 176.19 1nvl h SER 29 N -1.04 -1.49 -0.32 -2.11 4.64 -0.64 0.35 113.55 112.95 1nvl h SER 29 Ca -0.08 0.16 0.07 0.00 -0.47 0.00 0.00 61.79 61.47 1nvl h SER 29 Cb 0.86 0.56 -0.06 0.00 -0.31 0.00 0.00 62.40 63.44 1nvl h SER 29 CO 0.02 -0.49 -0.10 0.45 -0.87 0.00 0.00 176.83 175.84 1nvl h HIS 30 N -0.65 -0.23 0.40 4.77 3.86 -0.79 0.21 115.15 122.74 1nvl h HIS 30 Ca 0.00 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.23 1nvl h HIS 30 Cb 0.67 0.15 -0.00 0.00 1.06 0.00 0.00 27.41 29.29 1nvl h HIS 30 CO -0.48 -0.16 -0.27 -0.92 0.86 0.00 0.00 177.93 176.96 1nvl h TYR 31 N -0.03 -0.72 -0.92 2.45 3.20 0.51 0.33 116.97 121.79 1nvl h TYR 31 Ca 0.16 -0.01 0.21 0.00 3.14 0.00 0.00 58.73 62.23 1nvl h TYR 31 Cb 0.27 0.26 -0.17 0.00 1.54 0.00 0.00 36.73 38.63 1nvl h TYR 31 CO -0.32 -0.39 -0.11 0.87 -1.64 0.00 0.00 178.16 176.57 1nvl h LYS 32 N -0.64 0.02 0.45 1.82 1.79 0.06 0.56 116.57 120.63 1nvl h LYS 32 Ca -0.05 -0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.39 1nvl h LYS 32 Cb 0.52 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.17 1nvl h LYS 32 CO 0.04 0.01 -0.22 0.37 -1.08 0.00 0.00 179.45 178.58 1nvl h GLN 33 N 0.02 -0.59 -0.03 3.15 -0.00 -0.46 0.18 115.11 117.38 1nvl h GLN 33 Ca 0.49 0.04 0.01 0.00 -0.00 0.00 0.00 58.65 59.19 1nvl h GLN 33 Cb 0.87 0.13 -0.00 0.00 0.00 0.00 0.00 27.48 28.48 1nvl h GLN 33 CO -0.90 -0.39 0.69 0.00 0.00 0.00 0.00 178.83 178.23 1nvl h ALA 34 N -1.58 1.72 0.00 3.38 0.00 0.20 0.17 119.26 123.15 1nvl h ALA 34 Ca -0.06 -0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.66 1nvl h ALA 34 Cb 0.47 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1nvl h ALA 34 CO 0.10 -0.71 -1.51 0.25 0.00 0.00 0.00 179.25 177.38 1nvl n THR 35 N -2.72 1.33 -0.09 0.00 -2.24 0.17 -4.65 114.28 106.08 1nvl n THR 35 Ca -0.00 -0.06 -0.14 0.00 -2.27 0.00 0.00 64.05 61.58 1nvl n THR 35 Cb 0.72 -2.00 -0.06 0.00 -2.10 0.00 0.00 70.33 66.89 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 -4.13 1.48 0.00 2.28 0.31 0.61 -5.05 118.33 113.83 1nvl n VAL 36 Ca -0.27 0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 1nvl n VAL 36 Cb 0.61 -2.20 0.00 0.00 -0.91 0.00 0.00 33.84 31.34 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 1.49 1.61 3.82 2.92 0.00 0.57 -4.94 105.19 110.65 1nvl n GLY 37 Ca -0.23 -0.80 -0.31 0.00 0.00 0.00 0.00 46.02 44.68 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 5.37 -0.17 1.61 1.11 -0.93 -4.07 116.67 115.59 1nvl s ASP 38 Ca 0.00 1.62 -0.10 0.00 0.18 0.00 0.00 52.55 54.25 1nvl s ASP 38 Cb 0.00 -2.50 -0.05 0.00 1.07 0.00 0.00 42.92 41.45 1nvl s ASP 38 CO 0.00 -1.45 0.17 -0.51 1.18 0.00 0.00 175.17 174.57 1nvl s ILE 39 N -3.04 5.39 -0.06 0.77 2.07 -1.26 -4.97 121.20 120.11 1nvl s ILE 39 Ca 0.58 0.29 0.10 0.00 -1.41 0.00 0.00 60.65 60.21 1nvl s ILE 39 Cb -0.14 -3.50 0.18 0.00 0.13 0.00 0.00 42.46 39.13 1nvl s ILE 39 CO 0.55 0.46 1.09 -0.46 -1.91 0.00 0.00 174.94 174.67 1nvl n ASN 40 N 3.23 1.02 -2.63 4.50 0.23 -1.26 -5.07 115.26 115.28 1nvl n ASN 40 Ca -0.16 -2.51 -0.06 0.00 -0.53 0.00 0.00 54.58 51.33 1nvl n ASN 40 Cb 0.52 -0.31 0.00 0.00 -2.08 0.00 0.00 39.78 37.91 1nvl n ASN 40 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 1nvl n THR 41 N -0.50 0.00 -4.77 5.53 -2.24 -1.26 -5.13 114.28 105.91 1nvl n THR 41 Ca 0.07 -0.48 -0.33 0.00 -2.27 0.00 0.00 64.05 61.05 1nvl n THR 41 Cb 0.73 -0.43 -0.13 0.00 -2.10 0.00 0.00 70.33 68.40 1nvl n THR 41 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1nvl s GLU 42 N -2.50 2.96 -0.52 -0.78 2.02 -1.26 -5.03 118.70 113.59 1nvl s GLU 42 Ca 0.07 -0.66 -0.15 0.00 0.02 0.00 0.00 54.97 54.26 1nvl s GLU 42 Cb -0.01 -2.54 -0.12 0.00 0.10 0.00 0.00 34.13 31.56 1nvl s GLU 42 CO 0.05 0.45 1.36 -2.13 0.02 0.00 0.00 175.26 175.01 1nvl n ARG 43 N 2.84 0.00 -1.00 1.61 0.63 -1.26 -4.81 116.66 114.68 1nvl n ARG 43 Ca -0.18 0.00 -0.31 0.00 -0.92 0.00 0.00 57.85 56.44 1nvl n ARG 43 Cb 0.52 -0.75 0.01 0.00 0.45 0.00 0.00 32.46 32.70 1nvl n ARG 43 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 1nvl n PRO 44 N 4.21 0.00 -2.73 -0.14 -0.02 -1.26 -5.01 135.00 130.06 1nvl n PRO 44 Ca 0.34 0.00 -0.23 0.00 -2.02 0.00 0.00 63.50 61.60 1nvl n PRO 44 Cb 0.02 -0.79 0.11 0.00 -0.02 0.00 0.00 33.50 32.82 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 1.94 1.02 0.00 -1.23 0.00 -1.26 -4.55 105.19 101.11 1nvl n GLY 45 Ca 0.07 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 44.00 1nvl n GLY 45 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1nvl n MET 46 N -2.72 0.00 -2.38 1.61 0.00 -1.26 -3.87 117.12 108.49 1nvl n MET 46 Ca 0.17 0.00 -0.02 0.00 0.00 0.00 0.00 57.70 57.85 1nvl n MET 46 Cb 0.61 0.00 0.07 0.00 0.00 0.00 0.00 33.22 33.90 1nvl n MET 46 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 175.97 175.86 1nvl n LEU 47 N 0.00 -0.31 0.00 3.17 -0.00 -1.26 -5.05 117.00 113.54 1nvl n LEU 47 Ca 0.00 -2.88 0.00 0.00 -0.00 0.00 0.00 56.01 53.13 1nvl n LEU 47 Cb 0.00 0.18 0.00 0.00 -0.00 0.00 0.00 43.42 43.60 1nvl n LEU 47 CO 0.00 1.38 0.00 0.47 -0.00 0.00 0.00 177.39 179.24 1nvl n ASP 48 N -0.88 0.00 -0.20 1.96 8.00 -1.25 0.74 116.55 124.92 1nvl n ASP 48 Ca -0.10 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.38 1nvl n ASP 48 Cb 0.85 0.00 0.08 0.00 -0.02 0.00 0.00 41.12 42.04 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 0.00 0.54 0.00 1.24 -0.00 -1.97 -1.01 116.94 115.75 1nvl h PHE 49 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 57.97 57.99 1nvl h PHE 49 Cb 0.00 -0.15 0.00 0.00 -0.00 0.00 0.00 35.95 35.80 1nvl h PHE 49 CO 0.00 0.24 -0.48 1.17 -0.00 0.00 0.00 178.31 179.24 1nvl n LYS 50 N -4.87 0.02 -0.10 6.09 0.00 0.13 -3.81 118.16 115.62 1nvl n LYS 50 Ca 0.07 0.01 -0.15 0.00 0.00 0.00 0.00 58.31 58.23 1nvl n LYS 50 Cb 0.18 -1.51 -0.05 0.00 0.00 0.00 0.00 35.03 33.65 1nvl n LYS 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1nvl n GLY 51 N 1.49 -0.55 0.12 3.14 0.00 0.23 -4.75 105.19 104.86 1nvl n GLY 51 Ca 0.05 -0.25 -0.21 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.00 0.12 -0.96 1.61 1.57 -1.40 -3.35 116.57 113.15 1nvl h LYS 52 Ca -0.21 -0.20 0.28 0.00 -1.87 0.00 0.00 60.65 58.65 1nvl h LYS 52 Cb 1.15 0.07 -0.17 0.00 0.08 0.00 0.00 32.23 33.36 1nvl h LYS 52 CO -0.13 1.10 0.14 0.00 -0.57 0.00 0.00 179.45 179.98 1nvl h ALA 53 N -0.23 1.32 0.00 3.86 0.00 -1.64 0.53 119.26 123.09 1nvl h ALA 53 Ca -0.34 0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1nvl h ALA 53 Cb 1.56 0.50 0.00 0.00 0.00 0.00 0.00 17.79 19.85 1nvl h ALA 53 CO -0.07 -0.60 0.00 1.57 0.00 0.00 0.00 179.25 180.15 1nvl h LYS 54 N 0.05 0.00 0.09 0.00 2.10 -1.76 0.27 116.57 117.32 1nvl h LYS 54 Ca 0.62 0.00 -0.32 0.00 -2.00 0.00 0.00 60.65 58.95 1nvl h LYS 54 Cb 1.34 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.65 1nvl h LYS 54 CO -0.85 0.00 -1.74 2.35 -2.00 0.00 0.00 179.45 177.22 1nvl h TRP 55 N 0.00 0.36 0.17 0.07 7.01 -0.32 -2.67 115.95 120.57 1nvl h TRP 55 Ca 0.00 -0.27 -0.01 0.00 2.11 0.00 0.00 58.89 60.73 1nvl h TRP 55 Cb 0.81 -0.01 0.00 0.00 -2.10 0.00 0.00 29.16 27.86 1nvl h TRP 55 CO 0.00 1.44 -0.08 -0.44 -2.79 0.00 0.00 178.44 176.57 1nvl h ASP 56 N 0.05 -0.19 -1.75 2.65 5.19 -0.28 0.77 116.42 122.85 1nvl h ASP 56 Ca -0.32 0.01 0.53 0.00 -0.62 0.00 0.00 57.03 56.62 1nvl h ASP 56 Cb 2.02 0.05 -0.09 0.00 0.18 0.00 0.00 39.33 41.50 1nvl h ASP 56 CO 0.12 -0.10 1.24 0.00 -3.12 0.00 0.00 179.24 177.38 1nvl n ALA 57 N -2.18 1.69 -0.10 3.45 0.00 0.93 -0.10 120.51 124.21 1nvl n ALA 57 Ca -0.03 0.67 -0.14 0.00 0.00 0.00 0.00 53.44 53.94 1nvl n ALA 57 Cb 0.09 -1.07 -0.14 0.00 0.00 0.00 0.00 19.45 18.34 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 -4.00 0.18 -0.24 0.00 -0.00 -1.01 -4.24 117.44 108.13 1nvl n TRP 58 Ca 0.41 0.05 -0.03 0.00 -0.00 0.00 0.00 57.50 57.93 1nvl n TRP 58 Cb 1.82 -1.03 0.08 0.00 -0.00 0.00 0.00 31.31 32.18 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 0.69 0.00 5.87 -1.24 0.41 0.25 115.58 121.57 1nvl h ASN 59 Ca -0.53 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.48 1nvl h ASN 59 Cb 2.06 -0.14 0.00 0.00 0.73 0.00 0.00 38.32 40.96 1nvl h ASN 59 CO -0.02 0.48 0.19 -0.08 -1.29 0.00 0.00 177.43 176.71 1nvl h GLU 60 N 0.83 0.00 -0.00 6.67 4.81 -1.08 -0.12 114.58 125.68 1nvl h GLU 60 Ca 0.28 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.51 1nvl h GLU 60 Cb 0.04 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.42 1nvl h GLU 60 CO -0.12 0.00 -0.01 1.28 -0.73 0.00 0.00 179.01 179.44 1nvl n LEU 61 N -2.73 0.97 -0.07 1.64 4.77 0.42 -4.89 117.00 117.13 1nvl n LEU 61 Ca -0.02 -0.93 0.05 0.00 -0.03 0.00 0.00 56.01 55.08 1nvl n LEU 61 Cb 0.23 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.42 1nvl n LEU 61 CO 0.14 0.23 0.19 1.17 -1.33 0.00 0.00 177.39 177.79 1nvl n LYS 62 N -0.08 -0.01 -1.99 3.23 4.81 0.59 -1.66 118.16 123.05 1nvl n LYS 62 Ca 0.01 0.29 -0.32 0.00 -0.87 0.00 0.00 58.31 57.42 1nvl n LYS 62 Cb 0.04 -0.49 0.03 0.00 0.02 0.00 0.00 35.03 34.62 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 -1.07 5.90 3.98 3.14 0.00 -1.26 -2.18 105.19 113.69 1nvl n GLY 63 Ca 0.06 -2.57 -0.21 0.00 0.00 0.00 0.00 46.02 43.31 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 -5.08 4.16 -0.25 2.61 2.01 -0.67 -5.05 115.64 113.38 1nvl s THR 64 Ca 0.53 -0.82 -0.20 0.00 0.31 0.00 0.00 61.69 61.52 1nvl s THR 64 Cb 0.44 -3.48 -0.02 0.00 0.01 0.00 0.00 72.50 69.45 1nvl s THR 64 CO -0.18 -0.24 0.61 -0.44 -0.69 0.00 0.00 174.62 173.67 1nvl s SER 65 N -4.17 6.57 0.04 3.53 0.01 -1.26 -4.80 113.70 113.61 1nvl s SER 65 Ca 0.45 0.69 -0.02 0.00 1.31 0.00 0.00 55.95 58.38 1nvl s SER 65 Cb -0.10 -2.33 0.05 0.00 0.21 0.00 0.00 66.02 63.86 1nvl s SER 65 CO 0.33 -0.34 0.24 0.29 0.41 0.00 0.00 173.24 174.17 1nvl n LYS 66 N 5.57 -0.03 -0.26 12.44 5.02 -1.26 -0.24 118.16 139.41 1nvl n LYS 66 Ca -0.01 0.24 -0.09 0.00 -2.02 0.00 0.00 58.31 56.42 1nvl n LYS 66 Cb 0.49 -0.35 -0.05 0.00 -0.02 0.00 0.00 35.03 35.09 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 -0.18 -0.69 1.97 4.39 -1.90 0.16 114.58 118.33 1nvl h GLU 67 Ca 0.06 0.01 0.07 0.00 0.34 0.00 0.00 59.36 59.84 1nvl h GLU 67 Cb 0.10 0.04 -0.06 0.00 -0.10 0.00 0.00 28.75 28.73 1nvl h GLU 67 CO -0.16 -0.12 0.38 -0.44 -1.16 0.00 0.00 179.01 177.51 1nvl h ASP 68 N -0.19 0.55 -0.77 1.42 5.19 -1.01 0.22 116.42 121.84 1nvl h ASP 68 Ca 0.17 0.03 -0.04 0.00 -0.62 0.00 0.00 57.03 56.58 1nvl h ASP 68 Cb 0.54 -0.07 -0.03 0.00 0.18 0.00 0.00 39.33 39.95 1nvl h ASP 68 CO -0.76 0.35 0.34 0.00 -3.12 0.00 0.00 179.24 176.05 1nvl h ALA 69 N 1.37 0.99 0.70 3.45 0.00 -1.33 -1.56 119.26 122.88 1nvl h ALA 69 Ca 0.31 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1nvl h ALA 69 Cb 0.22 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1nvl h ALA 69 CO -0.20 0.59 -0.46 0.52 0.00 0.00 0.00 179.25 179.70 1nvl h MET 70 N 1.10 -1.05 -0.04 0.00 2.86 0.23 0.80 114.93 118.82 1nvl h MET 70 Ca 0.26 0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.98 1nvl h MET 70 Cb 0.16 0.24 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 1nvl h MET 70 CO -0.03 -0.70 -0.03 0.87 1.06 0.00 0.00 176.91 178.08 1nvl h LYS 71 N -1.09 -0.01 -0.84 1.72 1.79 -0.56 0.28 116.57 117.85 1nvl h LYS 71 Ca -0.09 0.00 0.14 0.00 -2.18 0.00 0.00 60.65 58.52 1nvl h LYS 71 Cb 0.89 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.48 1nvl h LYS 71 CO 0.07 -0.01 0.55 0.00 -1.08 0.00 0.00 179.45 178.99 1nvl h ALA 72 N -1.06 1.90 0.75 3.86 0.00 -1.24 0.15 119.26 123.62 1nvl h ALA 72 Ca 0.01 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1nvl h ALA 72 Cb 0.03 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.71 1nvl h ALA 72 CO -0.04 -0.12 -0.37 -0.92 0.00 0.00 0.00 179.25 177.80 1nvl h TYR 73 N 0.62 -0.96 -0.26 0.00 3.20 0.26 -0.08 116.97 119.76 1nvl h TYR 73 Ca 0.42 -0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.31 1nvl h TYR 73 Cb 0.72 0.32 -0.04 0.00 1.54 0.00 0.00 36.73 39.27 1nvl h TYR 73 CO -0.00 -0.59 -0.00 0.82 -1.64 0.00 0.00 178.16 176.74 1nvl h ILE 74 N -1.02 0.81 0.00 1.81 2.04 0.02 0.38 117.51 121.55 1nvl h ILE 74 Ca -0.10 -0.03 -0.02 0.00 1.00 0.00 0.00 64.86 65.72 1nvl h ILE 74 Cb 0.78 0.72 -0.00 0.00 -0.74 0.00 0.00 36.82 37.59 1nvl h ILE 74 CO 0.16 0.01 -0.08 0.44 0.00 0.00 0.00 178.15 178.69 1nvl h ASP 75 N 0.08 0.00 0.10 1.72 5.19 -0.64 0.19 116.42 123.06 1nvl h ASP 75 Ca 0.13 0.00 -0.21 0.00 -0.62 0.00 0.00 57.03 56.33 1nvl h ASP 75 Cb 0.16 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.68 1nvl h ASP 75 CO -0.21 0.08 -1.00 0.50 -3.12 0.00 0.00 179.24 175.48 1nvl h LYS 76 N 0.00 0.22 -0.49 3.56 1.63 0.67 -0.63 116.57 121.54 1nvl h LYS 76 Ca -0.00 -0.38 0.10 0.00 -0.85 0.00 0.00 60.65 59.52 1nvl h LYS 76 Cb 0.27 0.14 -0.10 0.00 -0.60 0.00 0.00 32.23 31.94 1nvl h LYS 76 CO 0.01 1.18 -0.20 0.28 -3.45 0.00 0.00 179.45 177.27 1nvl h VAL 77 N -0.46 0.38 -0.05 2.00 2.07 0.84 0.41 116.25 121.45 1nvl h VAL 77 Ca -0.21 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.34 1nvl h VAL 77 Cb 1.60 0.38 -0.06 0.00 -1.52 0.00 0.00 31.29 31.69 1nvl h VAL 77 CO 0.07 0.00 -0.51 -0.33 0.02 0.00 0.00 177.57 176.82 1nvl h GLU 78 N -0.09 -0.60 -0.68 1.57 4.39 -0.67 0.11 114.58 118.61 1nvl h GLU 78 Ca 0.23 0.04 0.14 0.00 0.34 0.00 0.00 59.36 60.11 1nvl h GLU 78 Cb 0.45 0.14 -0.10 0.00 -0.10 0.00 0.00 28.75 29.13 1nvl h GLU 78 CO -0.55 -0.40 0.12 0.93 -1.16 0.00 0.00 179.01 177.95 1nvl h GLU 79 N -0.63 0.22 -0.02 2.33 4.39 0.13 -2.25 114.58 118.74 1nvl h GLU 79 Ca 0.03 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1nvl h GLU 79 Cb 0.70 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.30 1nvl h GLU 79 CO -0.38 0.14 -0.01 -0.07 -1.16 0.00 0.00 179.01 177.54 1nvl h LEU 80 N 0.23 -0.02 -0.96 1.33 3.38 0.31 -2.96 115.31 116.61 1nvl h LEU 80 Ca 0.37 0.01 0.14 0.00 0.09 0.00 0.00 57.88 58.48 1nvl h LEU 80 Cb 0.61 0.02 -0.15 0.00 0.09 0.00 0.00 40.66 41.23 1nvl h LEU 80 CO -0.50 -0.01 -0.42 1.17 0.09 0.00 0.00 178.44 178.78 1nvl n LYS 81 N -5.10 -0.27 -0.05 1.13 4.81 0.29 -0.17 118.16 118.79 1nvl n LYS 81 Ca -0.06 1.47 0.13 0.00 -0.87 0.00 0.00 58.31 58.98 1nvl n LYS 81 Cb 0.04 -2.18 0.54 0.00 0.02 0.00 0.00 35.03 33.45 1nvl n LYS 81 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 1nvl h LYS 82 N 0.00 0.30 0.08 1.64 1.57 -1.41 0.79 116.57 119.54 1nvl h LYS 82 Ca 0.29 -0.02 -0.18 0.00 -1.87 0.00 0.00 60.65 58.88 1nvl h LYS 82 Cb 0.54 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.78 1nvl h LYS 82 CO -0.94 0.20 -0.89 0.87 -0.57 0.00 0.00 179.45 178.11 1nvl h LYS 83 N 0.31 0.17 0.00 3.15 1.57 -0.57 -3.41 116.57 117.80 1nvl h LYS 83 Ca 0.26 -0.29 -0.26 0.00 -1.87 0.00 0.00 60.65 58.50 1nvl h LYS 83 Cb 0.62 0.11 -0.04 0.00 0.08 0.00 0.00 32.23 33.00 1nvl h LYS 83 CO -0.06 1.14 -1.41 1.88 -0.57 0.00 0.00 179.45 180.43 1nvl h TYR 84 N -0.59 0.02 0.00 -1.35 0.05 -0.56 -3.50 116.97 111.04 1nvl h TYR 84 Ca -0.19 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.57 1nvl h TYR 84 Cb 1.49 -0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.22 1nvl h TYR 84 CO 0.18 1.02 0.00 0.41 -1.05 0.00 0.00 178.16 178.71 1nvl n GLY 85 N 1.47 1.95 0.07 3.88 0.00 0.26 -4.72 105.19 108.11 1nvl n GLY 85 Ca -0.10 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.93 1nvl n GLY 85 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83