#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m12 s ASP 2 N 0.00 6.20 0.28 4.04 -4.77 -1.26 -4.86 116.67 116.30 1m12 s ASP 2 Ca 0.00 1.38 0.25 0.00 -3.30 0.00 0.00 52.55 50.88 1m12 s ASP 2 Cb 0.00 -2.53 1.01 0.00 -1.09 0.00 0.00 42.92 40.31 1m12 s ASP 2 CO 0.00 -1.45 1.74 -0.37 0.70 0.00 0.00 175.17 175.79 1m12 h VAL 3 N 6.44 0.00 -0.02 2.11 -1.51 -2.02 -3.27 116.25 117.98 1m12 h VAL 3 Ca -0.33 -0.27 -0.03 0.00 -1.23 0.00 0.00 66.70 64.84 1m12 h VAL 3 Cb 1.15 1.05 0.00 0.00 -2.13 0.00 0.00 31.29 31.36 1m12 h VAL 3 CO 1.02 0.00 -0.10 1.88 -1.23 0.00 0.00 177.57 179.15 1m12 h TYR 4 N 0.00 0.13 -0.42 5.19 0.05 -1.94 -3.07 116.97 116.91 1m12 h TYR 4 Ca 0.00 -0.06 0.05 0.00 0.05 0.00 0.00 58.73 58.77 1m12 h TYR 4 Cb 0.40 -0.02 -0.04 0.00 1.01 0.00 0.00 36.73 38.08 1m12 h TYR 4 CO 0.00 0.77 0.17 0.00 -1.05 0.00 0.00 178.16 178.04 1m12 h GLU 6 N 0.34 0.94 -0.31 0.00 4.39 -1.66 -1.67 114.58 116.62 1m12 h GLU 6 Ca 0.19 -0.06 -0.17 0.00 0.34 0.00 0.00 59.36 59.66 1m12 h GLU 6 Cb 0.16 -0.21 -0.00 0.00 -0.10 0.00 0.00 28.75 28.60 1m12 h GLU 6 CO -0.18 0.62 -0.49 0.28 -1.16 0.00 0.00 179.01 178.08 1m12 h VAL 7 N 0.97 1.28 -0.24 3.13 2.07 -1.22 -2.21 116.25 120.02 1m12 h VAL 7 Ca 0.48 -1.67 0.01 0.00 0.82 0.00 0.00 66.70 66.34 1m12 h VAL 7 Cb 0.45 1.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.75 1m12 h VAL 7 CO -0.26 0.55 0.13 0.00 0.02 0.00 0.00 177.57 178.00 1m12 h GLU 9 N 0.27 0.00 -0.11 0.00 5.08 -1.40 -1.93 114.58 116.49 1m12 h GLU 9 Ca 0.10 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.42 1m12 h GLU 9 Cb 0.02 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 1m12 h GLU 9 CO -0.06 0.29 -0.07 0.35 -1.00 0.00 0.00 179.01 178.52 1m12 h PHE 10 N 0.00 0.28 -0.56 4.33 3.57 -0.62 -1.22 116.94 122.72 1m12 h PHE 10 Ca -0.00 -0.08 -0.02 0.00 3.53 0.00 0.00 57.97 61.40 1m12 h PHE 10 Cb 0.58 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.24 1m12 h PHE 10 CO 0.00 0.62 0.27 -0.07 -2.23 0.00 0.00 178.31 176.90 1m12 h LEU 11 N -0.14 0.74 -0.20 0.59 3.38 -1.13 -0.97 115.31 117.58 1m12 h LEU 11 Ca 0.02 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 57.87 1m12 h LEU 11 Cb 0.56 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1m12 h LEU 11 CO 0.02 0.67 0.10 0.58 0.09 0.00 0.00 178.44 179.89 1m12 h VAL 12 N 0.76 0.99 -0.61 1.22 2.07 -1.30 0.54 116.25 119.92 1m12 h VAL 12 Ca 0.19 -0.07 0.02 0.00 0.82 0.00 0.00 66.70 67.66 1m12 h VAL 12 Cb 0.12 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 1m12 h VAL 12 CO -0.02 0.04 0.39 0.50 0.02 0.00 0.00 177.57 178.49 1m12 h LYS 13 N 0.21 0.76 -0.29 1.57 3.64 -0.94 -0.59 116.57 120.93 1m12 h LYS 13 Ca 0.08 -0.05 -0.15 0.00 -1.27 0.00 0.00 60.65 59.26 1m12 h LYS 13 Cb 0.02 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.66 1m12 h LYS 13 CO -0.06 0.50 -0.43 1.49 -2.27 0.00 0.00 179.45 178.69 1m12 h GLU 14 N 0.78 0.74 -0.30 1.90 4.57 -0.72 -3.01 114.58 118.55 1m12 h GLU 14 Ca 0.24 -0.40 -0.09 0.00 -1.18 0.00 0.00 59.36 57.92 1m12 h GLU 14 Cb -0.03 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.57 1m12 h GLU 14 CO -0.08 1.02 -0.18 0.28 -1.18 0.00 0.00 179.01 178.88 1m12 h VAL 15 N 0.60 1.30 -0.67 0.32 2.07 0.55 -2.72 116.25 117.69 1m12 h VAL 15 Ca 0.04 -1.30 -0.04 0.00 0.82 0.00 0.00 66.70 66.22 1m12 h VAL 15 Cb 0.98 1.50 -0.03 0.00 -1.52 0.00 0.00 31.29 32.22 1m12 h VAL 15 CO 0.09 0.41 0.26 0.71 0.02 0.00 0.00 177.57 179.07 1m12 h THR 16 N 0.39 1.23 -0.27 2.57 1.35 -1.12 0.28 112.91 117.35 1m12 h THR 16 Ca 0.06 -0.75 -0.02 0.00 -0.55 0.00 0.00 66.41 65.15 1m12 h THR 16 Cb 0.71 0.44 -0.01 0.00 -1.73 0.00 0.00 68.15 67.56 1m12 h THR 16 CO 0.05 0.30 0.07 0.50 -0.25 0.00 0.00 175.52 176.19 1m12 h LYS 17 N 0.98 0.38 -0.13 4.72 3.64 -1.47 0.85 116.57 125.53 1m12 h LYS 17 Ca 0.23 -0.05 -0.16 0.00 -1.27 0.00 0.00 60.65 59.40 1m12 h LYS 17 Cb 0.20 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 1m12 h LYS 17 CO -0.02 0.35 -0.58 -0.07 -2.27 0.00 0.00 179.45 176.86 1m12 h LEU 18 N 0.38 0.48 -0.58 5.20 3.38 -0.72 0.95 115.31 124.38 1m12 h LEU 18 Ca 0.09 -0.27 -0.16 0.00 0.09 0.00 0.00 57.88 57.64 1m12 h LEU 18 Cb 0.15 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1m12 h LEU 18 CO -0.00 0.96 -0.64 0.40 0.09 0.00 0.00 178.44 179.24 1m12 h ILE 19 N 0.32 1.39 0.00 1.22 2.04 0.15 -2.81 117.51 119.83 1m12 h ILE 19 Ca -0.00 -2.04 -0.07 0.00 1.00 0.00 0.00 64.86 63.75 1m12 h ILE 19 Cb 1.11 2.04 -0.01 0.00 -0.74 0.00 0.00 36.82 39.22 1m12 h ILE 19 CO 0.10 0.61 -0.31 -0.78 0.00 0.00 0.00 178.15 177.77 1m12 h ASP 20 N 0.20 0.00 -0.08 1.72 3.58 0.10 -2.99 116.42 118.95 1m12 h ASP 20 Ca -0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.44 1m12 h ASP 20 Cb 1.16 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.21 1m12 h ASP 20 CO 0.10 0.31 0.00 -3.20 -2.88 0.00 0.00 179.24 173.57 1m12 n ASN 21 N -3.28 1.27 -0.72 2.28 5.15 0.29 -4.93 115.26 115.31 1m12 n ASN 21 Ca 0.01 -1.53 -0.01 0.00 -0.60 0.00 0.00 54.58 52.45 1m12 n ASN 21 Cb 0.57 -0.04 0.00 0.00 -0.53 0.00 0.00 39.78 39.78 1m12 n ASN 21 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1m12 n ASN 22 N 0.02 -2.20 -4.90 1.20 3.02 -1.13 -5.07 115.26 106.20 1m12 n ASN 22 Ca 0.18 -0.03 -0.31 0.00 -0.03 0.00 0.00 54.58 54.39 1m12 n ASN 22 Cb 0.29 -0.74 -0.04 0.00 -0.61 0.00 0.00 39.78 38.68 1m12 n ASN 22 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1m12 s LYS 23 N -4.95 3.59 0.70 3.52 1.02 -1.08 -5.07 119.74 117.47 1m12 s LYS 23 Ca 0.03 -0.16 -0.11 0.00 0.02 0.00 0.00 55.97 55.75 1m12 s LYS 23 Cb -0.01 -2.86 0.01 0.00 -0.52 0.00 0.00 37.83 34.44 1m12 s LYS 23 CO 0.04 0.47 1.08 0.95 -0.92 0.00 0.00 175.35 176.97 1m12 s THR 24 N -1.67 3.71 0.20 2.17 -4.23 -1.26 -4.84 115.64 109.71 1m12 s THR 24 Ca 0.40 0.55 -0.10 0.00 -1.18 0.00 0.00 61.69 61.36 1m12 s THR 24 Cb -0.12 -3.49 0.12 0.00 1.34 0.00 0.00 72.50 70.35 1m12 s THR 24 CO 0.26 -0.72 1.76 -0.08 -0.54 0.00 0.00 174.62 175.30 1m12 h GLU 25 N -0.66 0.46 -0.63 3.99 4.81 -2.00 -0.13 114.58 120.42 1m12 h GLU 25 Ca -0.45 -0.03 0.13 0.00 -0.13 0.00 0.00 59.36 58.89 1m12 h GLU 25 Cb 1.24 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 30.48 1m12 h GLU 25 CO 0.62 0.30 0.43 -0.22 -0.73 0.00 0.00 179.01 179.41 1m12 h LYS 26 N 0.47 0.27 0.02 1.92 3.11 -2.00 -1.39 116.57 118.98 1m12 h LYS 26 Ca 0.28 -0.02 -0.23 0.00 -2.81 0.00 0.00 60.65 57.87 1m12 h LYS 26 Cb 0.28 -0.06 0.00 0.00 -1.00 0.00 0.00 32.23 31.46 1m12 h LYS 26 CO -0.25 0.18 -0.99 0.93 -2.81 0.00 0.00 179.45 176.52 1m12 h GLU 27 N 0.28 0.42 -0.65 1.90 5.08 -1.39 -2.27 114.58 117.94 1m12 h GLU 27 Ca 0.30 -0.47 -0.08 0.00 -1.00 0.00 0.00 59.36 58.11 1m12 h GLU 27 Cb 0.79 0.14 -0.03 0.00 0.50 0.00 0.00 28.75 30.16 1m12 h GLU 27 CO -0.07 1.14 0.11 0.82 -1.00 0.00 0.00 179.01 180.01 1m12 h ILE 28 N 0.22 1.26 0.00 3.13 2.04 -0.83 -0.08 117.51 123.25 1m12 h ILE 28 Ca -0.09 -1.02 -0.11 0.00 1.00 0.00 0.00 64.86 64.64 1m12 h ILE 28 Cb 1.63 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 38.35 1m12 h ILE 28 CO 0.17 0.38 -0.54 -0.07 0.00 0.00 0.00 178.15 178.09 1m12 h LEU 29 N 1.00 0.00 -0.22 1.44 3.38 -1.48 -2.44 115.31 116.99 1m12 h LEU 29 Ca 0.20 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.09 1m12 h LEU 29 Cb 0.43 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 1m12 h LEU 29 CO 0.01 0.54 -0.19 -0.78 0.09 0.00 0.00 178.44 178.11 1m12 h ASP 30 N 0.00 0.54 0.64 -0.43 1.82 -0.78 -3.01 116.42 115.20 1m12 h ASP 30 Ca -0.01 -0.46 -0.04 0.00 -0.39 0.00 0.00 57.03 56.14 1m12 h ASP 30 Cb 1.03 -0.15 -0.01 0.00 0.68 0.00 0.00 39.33 40.88 1m12 h ASP 30 CO 0.07 0.89 -0.17 0.00 -1.61 0.00 0.00 179.24 178.42 1m12 h ALA 31 N 0.67 1.14 0.00 -0.78 0.00 -0.91 -2.55 119.26 116.83 1m12 h ALA 31 Ca 0.04 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1m12 h ALA 31 Cb 0.73 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1m12 h ALA 31 CO 0.05 0.21 0.25 0.74 0.00 0.00 0.00 179.25 180.50 1m12 h PHE 32 N 0.00 0.00 0.00 0.00 -1.00 -1.29 0.32 116.94 114.97 1m12 h PHE 32 Ca -0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1m12 h PHE 32 Cb 0.54 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.10 1m12 h PHE 32 CO 0.00 0.00 0.00 -0.44 -1.61 0.00 0.00 178.31 176.26 1m12 h ASP 33 N 0.00 0.00 0.00 2.17 3.32 -1.62 -3.32 116.42 116.97 1m12 h ASP 33 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1m12 h ASP 33 Cb 0.49 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.04 1m12 h ASP 33 CO 0.00 0.00 -0.04 2.29 -1.72 0.00 0.00 179.24 179.77 1m12 n LYS 34 N -2.82 1.22 0.10 3.56 2.85 0.99 -4.79 118.16 119.26 1m12 n LYS 34 Ca 0.04 -1.06 -0.23 0.00 -1.05 0.00 0.00 58.31 56.02 1m12 n LYS 34 Cb 0.49 -0.75 -0.15 0.00 -0.65 0.00 0.00 35.03 33.96 1m12 n LYS 34 CO 0.00 0.00 0.00 1.98 -0.05 0.00 0.00 177.40 179.33 1m12 h MET 35 N 0.00 0.44 0.00 -1.58 4.05 -1.25 -2.88 114.93 113.71 1m12 h MET 35 Ca 0.00 -0.75 0.00 0.00 -0.28 0.00 0.00 59.70 58.67 1m12 h MET 35 Cb 0.84 0.28 0.00 0.00 -0.80 0.00 0.00 31.60 31.92 1m12 h MET 35 CO 0.00 1.36 0.00 0.00 0.23 0.00 0.00 176.91 178.50 1m12 n SER 37 N -1.15 0.57 -0.43 0.00 2.88 -1.09 -3.33 113.62 111.07 1m12 n SER 37 Ca 0.04 -1.89 0.04 0.00 -1.33 0.00 0.00 58.87 55.73 1m12 n SER 37 Cb 0.04 -0.06 0.12 0.00 -0.75 0.00 0.00 64.21 63.55 1m12 n SER 37 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1m12 n LYS 38 N -0.24 2.82 -4.94 -1.46 5.02 -0.35 -4.99 118.16 114.03 1m12 n LYS 38 Ca 0.06 -2.00 -0.29 0.00 -2.02 0.00 0.00 58.31 54.06 1m12 n LYS 38 Cb 0.10 -1.26 -0.15 0.00 -0.02 0.00 0.00 35.03 33.70 1m12 n LYS 38 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1m12 s LEU 39 N -1.32 2.13 0.93 -0.35 1.43 -1.21 -5.11 118.68 115.18 1m12 s LEU 39 Ca 0.19 -0.54 -0.15 0.00 -1.03 0.00 0.00 54.13 52.60 1m12 s LEU 39 Cb 0.12 -1.21 -0.07 0.00 0.03 0.00 0.00 46.19 45.05 1m12 s LEU 39 CO 0.09 0.25 -0.22 -2.65 0.23 0.00 0.00 176.35 174.05 1m12 n PRO 40 N 1.99 -0.08 0.21 1.29 -0.02 -1.26 -4.76 135.00 132.36 1m12 n PRO 40 Ca -0.17 -0.00 0.15 0.00 -2.02 0.00 0.00 63.50 61.46 1m12 n PRO 40 Cb 0.52 -1.38 0.70 0.00 -0.02 0.00 0.00 33.50 33.33 1m12 n PRO 40 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1m12 h LYS 41 N -1.10 0.00 0.00 -0.52 1.63 -1.99 -2.94 116.57 111.65 1m12 h LYS 41 Ca -0.44 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.36 1m12 h LYS 41 Cb 1.31 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.94 1m12 h LYS 41 CO 0.30 0.00 0.00 0.43 -3.45 0.00 0.00 179.45 176.73 1m12 n SER 42 N -2.59 0.48 -0.26 4.20 7.64 -1.26 -2.56 113.62 119.27 1m12 n SER 42 Ca -0.00 0.60 0.04 0.00 1.01 0.00 0.00 58.87 60.52 1m12 n SER 42 Cb 0.16 -0.71 0.02 0.00 -1.01 0.00 0.00 64.21 62.67 1m12 n SER 42 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1m12 n LEU 43 N -2.01 1.46 0.00 -3.43 4.77 -1.11 -4.80 117.00 111.88 1m12 n LEU 43 Ca 0.03 -0.95 0.00 0.00 -0.03 0.00 0.00 56.01 55.06 1m12 n LEU 43 Cb 0.25 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1m12 n LEU 43 CO 0.20 0.30 0.37 -0.24 -1.33 0.00 0.00 177.39 176.69 1m12 n SER 44 N 0.24 0.00 -0.00 -1.43 2.88 -1.06 -2.86 113.62 111.39 1m12 n SER 44 Ca 0.04 0.75 -0.09 0.00 -1.33 0.00 0.00 58.87 58.23 1m12 n SER 44 Cb 0.17 -0.33 -0.03 0.00 -0.75 0.00 0.00 64.21 63.27 1m12 n SER 44 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1m12 h GLU 45 N 0.00 -0.26 -0.09 -1.46 5.08 -1.87 -1.89 114.58 114.10 1m12 h GLU 45 Ca 0.00 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.40 1m12 h GLU 45 Cb 0.00 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 1m12 h GLU 45 CO 0.00 -0.17 0.24 0.93 -1.00 0.00 0.00 179.01 179.01 1m12 h GLU 46 N -0.27 0.00 0.17 2.33 4.39 -1.89 0.48 114.58 119.80 1m12 h GLU 46 Ca 0.10 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.57 1m12 h GLU 46 Cb 0.42 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 29.09 1m12 h GLU 46 CO -0.29 0.00 -1.04 0.00 -1.16 0.00 0.00 179.01 176.52 1m12 h GLN 48 N -0.23 0.65 -0.43 0.00 4.15 -0.66 0.48 115.11 119.06 1m12 h GLN 48 Ca -0.18 -0.04 -0.14 0.00 0.77 0.00 0.00 58.65 59.06 1m12 h GLN 48 Cb 1.80 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 29.33 1m12 h GLN 48 CO 0.18 0.43 -0.27 0.93 -1.93 0.00 0.00 178.83 178.17 1m12 h GLU 49 N 0.67 0.95 0.16 1.69 5.08 -1.52 0.36 114.58 121.96 1m12 h GLU 49 Ca 0.44 -0.44 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1m12 h GLU 49 Cb 0.56 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1m12 h GLU 49 CO -0.32 1.11 -0.07 0.28 -1.00 0.00 0.00 179.01 179.00 1m12 h VAL 50 N 0.79 0.98 0.36 3.13 2.07 -0.97 -0.82 116.25 121.79 1m12 h VAL 50 Ca 0.09 -0.90 -0.02 0.00 0.82 0.00 0.00 66.70 66.69 1m12 h VAL 50 Cb 0.86 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 32.14 1m12 h VAL 50 CO 0.08 0.20 -0.17 0.58 0.02 0.00 0.00 177.57 178.27 1m12 h VAL 51 N -0.67 0.64 -0.68 2.57 2.07 -0.14 0.97 116.25 121.02 1m12 h VAL 51 Ca -0.02 -0.01 -0.03 0.00 0.82 0.00 0.00 66.70 67.45 1m12 h VAL 51 Cb 0.49 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 1m12 h VAL 51 CO 0.04 0.00 0.30 0.44 0.02 0.00 0.00 177.57 178.37 1m12 h ASP 52 N -0.50 0.91 0.19 0.57 5.19 -1.00 0.24 116.42 122.03 1m12 h ASP 52 Ca -0.05 -0.15 -0.35 0.00 -0.62 0.00 0.00 57.03 55.85 1m12 h ASP 52 Cb 0.38 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 39.64 1m12 h ASP 52 CO 0.08 0.81 -1.87 0.74 -3.12 0.00 0.00 179.24 175.89 1m12 h THR 53 N 0.95 0.77 -0.48 0.35 2.02 -1.11 -3.38 112.91 112.04 1m12 h THR 53 Ca 0.23 -2.45 -0.25 0.00 0.77 0.00 0.00 66.41 64.71 1m12 h THR 53 Cb 0.17 2.61 -0.15 0.00 -1.74 0.00 0.00 68.15 69.03 1m12 h THR 53 CO -0.02 0.86 0.06 -1.22 0.37 0.00 0.00 175.52 175.57 1m12 n TYR 54 N -3.49 1.49 -0.06 3.16 4.02 0.33 -4.73 117.16 117.88 1m12 n TYR 54 Ca -0.28 -1.67 -0.05 0.00 -0.01 0.00 0.00 57.90 55.89 1m12 n TYR 54 Cb 1.06 -0.59 -0.05 0.00 -0.02 0.00 0.00 39.34 39.74 1m12 n TYR 54 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 1m12 h GLY 55 N 1.00 0.00 2.00 2.72 0.00 -0.48 -2.61 103.07 105.70 1m12 h GLY 55 Ca 0.31 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.58 1m12 h GLY 55 CO 0.54 0.00 -0.27 1.76 0.00 0.00 0.00 176.54 178.57 1m12 h SER 56 N -1.00 0.00 -0.00 0.19 0.02 -1.85 -2.47 113.55 108.44 1m12 h SER 56 Ca -0.00 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.87 1m12 h SER 56 Cb 0.38 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.92 1m12 h SER 56 CO -0.00 0.27 -0.29 0.77 -1.14 0.00 0.00 176.83 176.44 1m12 h SER 57 N 0.00 0.26 0.44 3.07 4.64 -1.87 -0.32 113.55 119.78 1m12 h SER 57 Ca -0.00 -0.77 -0.01 0.00 -0.47 0.00 0.00 61.79 60.53 1m12 h SER 57 Cb 0.50 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.50 1m12 h SER 57 CO 0.03 1.00 -0.32 0.40 -0.87 0.00 0.00 176.83 177.08 1m12 h ILE 58 N -0.45 0.34 -0.04 0.95 2.04 -1.43 -0.60 117.51 118.32 1m12 h ILE 58 Ca -0.04 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.84 1m12 h ILE 58 Cb 1.04 0.34 -0.00 0.00 -0.74 0.00 0.00 36.82 37.46 1m12 h ILE 58 CO 0.06 0.00 0.05 0.25 0.00 0.00 0.00 178.15 178.51 1m12 h LEU 59 N -0.75 0.00 0.11 1.44 5.85 -1.54 -1.73 115.31 118.70 1m12 h LEU 59 Ca -0.04 0.00 -0.27 0.00 0.84 0.00 0.00 57.88 58.40 1m12 h LEU 59 Cb 0.63 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.66 1m12 h LEU 59 CO 0.02 0.00 -1.28 -1.28 -0.34 0.00 0.00 178.44 175.56 1m12 h SER 60 N 0.00 0.36 -0.11 1.25 0.87 0.22 -3.31 113.55 112.83 1m12 h SER 60 Ca 0.02 -0.40 -0.03 0.00 -1.23 0.00 0.00 61.79 60.14 1m12 h SER 60 Cb 0.12 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1m12 h SER 60 CO -0.00 1.32 -0.06 0.40 -0.53 0.00 0.00 176.83 177.96 1m12 h ILE 61 N 0.06 1.33 -1.03 2.23 2.04 -0.31 -3.02 117.51 118.81 1m12 h ILE 61 Ca -0.14 -1.12 0.27 0.00 1.00 0.00 0.00 64.86 64.87 1m12 h ILE 61 Cb 1.96 1.85 -0.07 0.00 -0.74 0.00 0.00 36.82 39.81 1m12 h ILE 61 CO 0.18 0.32 0.70 -0.07 0.00 0.00 0.00 178.15 179.28 1m12 h LEU 62 N -0.14 0.28 -0.25 1.44 3.38 -1.51 0.71 115.31 119.22 1m12 h LEU 62 Ca 0.02 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1m12 h LEU 62 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1m12 h LEU 62 CO 0.02 0.07 0.00 -0.07 0.09 0.00 0.00 178.44 178.54 1m12 h LEU 63 N 0.26 0.00 -2.50 1.67 3.38 -1.62 -3.11 115.31 113.39 1m12 h LEU 63 Ca 0.55 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.38 1m12 h LEU 63 Cb 1.65 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 42.32 1m12 h LEU 63 CO -0.18 0.00 0.17 -0.62 0.09 0.00 0.00 178.44 177.91 1m12 n GLU 64 N -2.38 1.42 -2.86 1.13 -0.58 0.25 -4.81 120.64 112.80 1m12 n GLU 64 Ca 0.04 -0.86 -0.17 0.00 -0.42 0.00 0.00 57.16 55.75 1m12 n GLU 64 Cb 0.38 -1.37 -0.00 0.00 -0.57 0.00 0.00 31.44 29.88 1m12 n GLU 64 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1m12 n GLU 65 N 0.04 -2.88 -3.48 3.49 -0.58 -1.17 -4.94 120.64 111.12 1m12 n GLU 65 Ca 0.16 0.53 -0.35 0.00 -0.42 0.00 0.00 57.16 57.08 1m12 n GLU 65 Cb 0.81 -5.18 -0.06 0.00 -0.57 0.00 0.00 31.44 26.45 1m12 n GLU 65 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1m12 s VAL 66 N -2.74 4.99 0.58 2.62 1.01 -1.26 -5.04 120.40 120.56 1m12 s VAL 66 Ca 0.18 0.61 -0.19 0.00 0.00 0.00 0.00 61.98 62.58 1m12 s VAL 66 Cb -0.09 -3.68 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 1m12 s VAL 66 CO 0.22 0.26 1.02 -1.54 0.00 0.00 0.00 175.10 175.06 1m12 n SER 67 N 0.84 1.04 -0.15 3.32 3.41 -1.26 -4.80 113.62 116.02 1m12 n SER 67 Ca -0.07 0.85 -0.03 0.00 -0.26 0.00 0.00 58.87 59.36 1m12 n SER 67 Cb 0.52 -1.41 0.17 0.00 -0.26 0.00 0.00 64.21 63.24 1m12 n SER 67 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1m12 h PRO 68 N 0.69 0.89 0.00 4.33 0.13 -1.97 -2.85 132.00 133.21 1m12 h PRO 68 Ca -0.48 -0.18 0.00 0.00 -0.87 0.00 0.00 66.00 64.47 1m12 h PRO 68 Cb 1.35 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1m12 h PRO 68 CO 0.52 0.78 0.00 1.05 -0.23 0.00 0.00 178.00 180.12 1m12 h GLU 69 N 0.86 0.00 0.00 0.86 4.11 -2.00 -2.83 114.58 115.57 1m12 h GLU 69 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.62 1m12 h GLU 69 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1m12 h GLU 69 CO -0.00 0.00 0.00 -0.07 0.07 0.00 0.00 179.01 179.01 1m12 h LEU 70 N 0.00 0.00 0.38 3.06 3.38 -1.86 -3.20 115.31 117.07 1m12 h LEU 70 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1m12 h LEU 70 Cb 0.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1m12 h LEU 70 CO 0.00 0.00 -0.18 0.58 0.09 0.00 0.00 178.44 178.93 1m12 h VAL 71 N 0.00 0.61 0.00 1.22 2.07 -1.57 0.11 116.25 118.69 1m12 h VAL 71 Ca 0.00 -0.37 -0.04 0.00 0.82 0.00 0.00 66.70 67.11 1m12 h VAL 71 Cb 0.49 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 1m12 h VAL 71 CO 0.00 0.07 -0.20 0.00 0.02 0.00 0.00 177.57 177.46 1m12 h SER 73 N 0.00 0.81 -0.12 0.00 0.02 -1.55 -2.82 113.55 109.89 1m12 h SER 73 Ca -0.00 -0.71 -0.22 0.00 -0.84 0.00 0.00 61.79 60.02 1m12 h SER 73 Cb 0.46 -0.25 0.01 0.00 0.14 0.00 0.00 62.40 62.76 1m12 h SER 73 CO 0.03 1.52 -0.77 0.24 -1.14 0.00 0.00 176.83 176.70 1m12 h MET 74 N 0.29 0.74 -0.51 3.45 2.86 -0.53 -3.10 114.93 118.13 1m12 h MET 74 Ca -0.15 -0.63 0.00 0.00 -2.06 0.00 0.00 59.70 56.85 1m12 h MET 74 Cb 1.81 0.14 0.00 0.00 0.06 0.00 0.00 31.60 33.61 1m12 h MET 74 CO 0.22 1.24 0.00 1.28 1.06 0.00 0.00 176.91 180.70 1m12 n LEU 75 N -3.98 0.51 -1.19 1.22 4.77 -0.77 -4.75 117.00 112.81 1m12 n LEU 75 Ca -0.08 -0.26 -0.07 0.00 -0.03 0.00 0.00 56.01 55.57 1m12 n LEU 75 Cb 0.74 -0.26 -0.03 0.00 -2.33 0.00 0.00 43.42 41.55 1m12 n LEU 75 CO 0.52 0.13 -0.07 0.00 -1.33 0.00 0.00 177.39 176.65 1m12 n HIS 76 N 0.08 -0.66 0.90 -1.77 1.44 -1.17 -4.71 115.22 109.33 1m12 n HIS 76 Ca 0.00 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.84 1m12 n HIS 76 Cb 0.13 -1.81 0.49 0.00 0.12 0.00 0.00 29.99 28.91 1m12 n HIS 76 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1m12 n LEU 77 N -1.44 0.28 -4.42 2.39 4.77 -1.15 -4.86 117.00 112.57 1m12 n LEU 77 Ca -0.07 0.42 -0.20 0.00 -0.03 0.00 0.00 56.01 56.13 1m12 n LEU 77 Cb 0.23 -0.40 -0.10 0.00 -2.33 0.00 0.00 43.42 40.81 1m12 n LEU 77 CO 0.10 -0.02 -0.28 0.00 -1.33 0.00 0.00 177.39 175.86 1m12 n SER 79 N -0.62 -2.43 -2.43 0.00 7.64 -1.26 -4.90 113.62 109.62 1m12 n SER 79 Ca -0.03 -0.06 -0.05 0.00 1.01 0.00 0.00 58.87 59.75 1m12 n SER 79 Cb 0.66 -0.98 -0.05 0.00 -1.01 0.00 0.00 64.21 62.83 1m12 n SER 79 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1m12 n GLY 80 N -0.69 1.75 0.79 0.23 0.00 -1.26 -3.79 105.19 102.22 1m12 n GLY 80 Ca -0.00 -0.40 0.12 0.00 0.00 0.00 0.00 46.02 45.74 1m12 n GLY 80 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1m12 n LEU 81 N 3.05 2.41 -2.04 0.99 4.77 -1.26 -4.93 117.00 119.99 1m12 n LEU 81 Ca 0.15 -0.90 -0.14 0.00 -0.03 0.00 0.00 56.01 55.10 1m12 n LEU 81 Cb 0.27 -0.07 -0.09 0.00 -2.33 0.00 0.00 43.42 41.20 1m12 n LEU 81 CO 0.26 0.45 0.97 1.33 -1.33 0.00 0.00 177.39 179.07 1m12 n VAL 82 N 0.85 0.00 0.68 4.08 0.24 -1.25 -4.67 118.33 118.27 1m12 n VAL 82 Ca 0.17 -0.13 0.07 0.00 -2.04 0.00 0.00 64.34 62.41 1m12 n VAL 82 Cb 0.48 -0.10 0.36 0.00 -1.47 0.00 0.00 33.84 33.11 1m12 n VAL 82 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 1m12 n PRO 83 N 3.06 0.23 0.00 7.34 -0.05 -1.26 -5.28 135.00 139.05 1m12 n PRO 83 Ca 0.30 0.13 0.00 0.00 -0.05 0.00 0.00 63.50 63.89 1m12 n PRO 83 Cb 0.04 -1.50 0.00 0.00 -0.05 0.00 0.00 33.50 31.99 1m12 n PRO 83 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 175.50 178.34