#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 5.83 0.12 4.04 2.15 -1.26 -4.84 116.67 122.72 1m12 s ASP 2 Ca 0.00 1.20 0.18 0.00 0.43 0.00 0.00 52.55 54.36 1m12 s ASP 2 Cb 0.00 -2.53 0.77 0.00 -0.30 0.00 0.00 42.92 40.86 1m12 s ASP 2 CO 0.00 -1.77 1.56 1.33 -0.17 0.00 0.00 175.17 176.12 1m12 n VAL 3 N 7.39 0.97 -0.05 1.11 0.24 -1.26 -3.51 118.33 123.23 1m12 n VAL 3 Ca 0.23 0.27 -0.13 0.00 -2.04 0.00 0.00 64.34 62.66 1m12 n VAL 3 Cb 0.47 -1.12 -0.12 0.00 -1.47 0.00 0.00 33.84 31.61 1m12 n VAL 3 CO 0.00 0.00 0.00 1.88 -2.14 0.00 0.00 176.83 176.57 1m12 h TYR 4 N 0.00 -0.00 -0.72 6.34 0.05 -1.94 -3.05 116.97 117.65 1m12 h TYR 4 Ca 0.00 -0.00 0.08 0.00 0.05 0.00 0.00 58.73 58.86 1m12 h TYR 4 Cb 0.28 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 37.96 1m12 h TYR 4 CO 0.00 0.79 0.39 0.00 -1.05 0.00 0.00 178.16 178.29 1m12 h GLU 6 N 0.68 0.76 -0.17 0.00 4.81 -1.64 -2.17 114.58 116.85 1m12 h GLU 6 Ca 0.34 -0.05 -0.20 0.00 -0.13 0.00 0.00 59.36 59.32 1m12 h GLU 6 Cb 0.28 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.49 1m12 h GLU 6 CO -0.23 0.51 -0.69 0.28 -0.73 0.00 0.00 179.01 178.15 1m12 h VAL 7 N 0.79 1.31 -0.26 0.32 2.07 -1.17 -2.32 116.25 116.99 1m12 h VAL 7 Ca 0.38 -1.94 -0.02 0.00 0.82 0.00 0.00 66.70 65.95 1m12 h VAL 7 Cb 0.33 1.91 -0.01 0.00 -1.52 0.00 0.00 31.29 32.00 1m12 h VAL 7 CO -0.24 0.61 0.08 0.00 0.02 0.00 0.00 177.57 178.04 1m12 h GLU 9 N 0.36 0.00 -0.11 0.00 5.08 -1.36 -2.50 114.58 116.05 1m12 h GLU 9 Ca 0.09 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.40 1m12 h GLU 9 Cb 0.12 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 1m12 h GLU 9 CO -0.01 0.87 -0.10 0.35 -1.00 0.00 0.00 179.01 179.12 1m12 h PHE 10 N 0.00 0.32 -0.44 4.33 3.57 -0.60 -0.56 116.94 123.57 1m12 h PHE 10 Ca -0.01 -0.10 -0.02 0.00 3.53 0.00 0.00 57.97 61.38 1m12 h PHE 10 Cb 1.65 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 40.30 1m12 h PHE 10 CO 0.00 0.68 0.19 -0.07 -2.23 0.00 0.00 178.31 176.88 1m12 h LEU 11 N -0.12 0.59 -0.09 0.59 3.38 -1.19 -0.18 115.31 118.30 1m12 h LEU 11 Ca 0.02 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 57.85 1m12 h LEU 11 Cb 0.62 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1m12 h LEU 11 CO 0.03 0.57 0.03 0.58 0.09 0.00 0.00 178.44 179.74 1m12 h VAL 12 N 0.57 0.99 -0.62 1.22 2.07 -1.41 0.87 116.25 119.94 1m12 h VAL 12 Ca 0.15 -0.03 0.03 0.00 0.82 0.00 0.00 66.70 67.67 1m12 h VAL 12 Cb 0.15 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 1m12 h VAL 12 CO -0.02 0.01 0.38 0.50 0.02 0.00 0.00 177.57 178.47 1m12 h LYS 13 N 0.08 0.73 -0.36 1.57 3.64 -0.88 0.03 116.57 121.38 1m12 h LYS 13 Ca 0.04 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 59.24 1m12 h LYS 13 Cb 0.01 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.66 1m12 h LYS 13 CO -0.03 0.48 -0.29 1.49 -2.27 0.00 0.00 179.45 178.83 1m12 h GLU 14 N 0.75 0.83 -0.50 1.90 4.81 -0.52 -2.74 114.58 119.10 1m12 h GLU 14 Ca 0.25 -0.41 -0.05 0.00 -0.13 0.00 0.00 59.36 59.01 1m12 h GLU 14 Cb 0.01 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 1m12 h GLU 14 CO -0.10 1.05 0.12 0.28 -0.73 0.00 0.00 179.01 179.63 1m12 h VAL 15 N 0.62 1.24 -0.78 0.32 2.07 0.12 -2.53 116.25 117.31 1m12 h VAL 15 Ca 0.06 -0.86 -0.03 0.00 0.82 0.00 0.00 66.70 66.70 1m12 h VAL 15 Cb 0.86 0.84 -0.04 0.00 -1.52 0.00 0.00 31.29 31.44 1m12 h VAL 15 CO 0.08 0.31 0.39 0.71 0.02 0.00 0.00 177.57 179.07 1m12 h THR 16 N 0.69 1.25 -0.54 2.57 1.35 -0.94 0.47 112.91 117.76 1m12 h THR 16 Ca 0.16 -0.68 0.04 0.00 -0.55 0.00 0.00 66.41 65.38 1m12 h THR 16 Cb 0.34 0.25 -0.03 0.00 -1.73 0.00 0.00 68.15 66.97 1m12 h THR 16 CO 0.00 0.29 0.36 0.50 -0.25 0.00 0.00 175.52 176.42 1m12 h LYS 17 N 1.10 0.58 -0.15 4.72 3.64 -1.31 1.21 116.57 126.37 1m12 h LYS 17 Ca 0.27 -0.04 -0.22 0.00 -1.27 0.00 0.00 60.65 59.40 1m12 h LYS 17 Cb 0.10 -0.13 0.01 0.00 -0.41 0.00 0.00 32.23 31.80 1m12 h LYS 17 CO -0.04 0.39 -0.77 -0.07 -2.27 0.00 0.00 179.45 176.69 1m12 h LEU 18 N 0.60 0.90 -1.09 5.20 3.38 -0.65 0.09 115.31 123.73 1m12 h LEU 18 Ca 0.22 -0.59 -0.09 0.00 0.09 0.00 0.00 57.88 57.52 1m12 h LEU 18 Cb 0.13 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1m12 h LEU 18 CO -0.06 1.38 -0.34 0.40 0.09 0.00 0.00 178.44 179.91 1m12 h ILE 19 N 0.52 1.27 0.00 1.22 2.04 0.17 -1.83 117.51 120.90 1m12 h ILE 19 Ca -0.05 -1.31 -0.03 0.00 1.00 0.00 0.00 64.86 64.46 1m12 h ILE 19 Cb 1.39 1.57 -0.00 0.00 -0.74 0.00 0.00 36.82 39.04 1m12 h ILE 19 CO 0.16 0.39 -0.15 0.44 0.00 0.00 0.00 178.15 178.99 1m12 h ASP 20 N 0.18 0.00 0.05 1.72 5.19 0.17 -3.01 116.42 120.72 1m12 h ASP 20 Ca 0.02 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.43 1m12 h ASP 20 Cb 0.69 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.20 1m12 h ASP 20 CO 0.05 0.15 -0.07 -3.20 -3.12 0.00 0.00 179.24 173.05 1m12 n ASN 21 N -3.19 1.39 0.00 6.45 5.15 -0.01 -4.94 115.26 120.11 1m12 n ASN 21 Ca 0.02 -1.34 0.00 0.00 -0.60 0.00 0.00 54.58 52.66 1m12 n ASN 21 Cb 0.51 0.04 0.00 0.00 -0.53 0.00 0.00 39.78 39.79 1m12 n ASN 21 CO 0.00 0.00 0.00 -0.46 1.40 0.00 0.00 177.26 178.20 1m12 n ASN 22 N -0.03 -2.14 -4.78 1.20 6.94 -1.07 -5.05 115.26 110.34 1m12 n ASN 22 Ca 0.17 0.00 -0.36 0.00 -0.02 0.00 0.00 54.58 54.37 1m12 n ASN 22 Cb 0.36 -0.36 -0.01 0.00 -2.36 0.00 0.00 39.78 37.41 1m12 n ASN 22 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1m12 s LYS 23 N -0.79 3.69 0.90 -3.83 1.02 -1.12 -5.01 119.74 114.60 1m12 s LYS 23 Ca 0.00 1.66 -0.12 0.00 0.02 0.00 0.00 55.97 57.53 1m12 s LYS 23 Cb 0.00 -2.28 0.13 0.00 -0.52 0.00 0.00 37.83 35.17 1m12 s LYS 23 CO 0.00 -0.59 1.14 0.95 -0.92 0.00 0.00 175.35 175.93 1m12 s THR 24 N -1.66 2.04 0.14 2.17 -4.23 -1.26 -4.82 115.64 108.01 1m12 s THR 24 Ca 0.66 0.01 -0.17 0.00 -1.18 0.00 0.00 61.69 61.01 1m12 s THR 24 Cb -0.25 -2.77 -0.01 0.00 1.34 0.00 0.00 72.50 70.80 1m12 s THR 24 CO 0.30 -0.02 1.77 -0.08 -0.54 0.00 0.00 174.62 176.05 1m12 h GLU 25 N -1.46 0.48 -0.57 3.99 4.81 -2.00 -1.98 114.58 117.84 1m12 h GLU 25 Ca -0.50 -0.04 0.14 0.00 -0.13 0.00 0.00 59.36 58.82 1m12 h GLU 25 Cb 1.33 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.58 1m12 h GLU 25 CO 0.62 0.36 0.40 -0.22 -0.73 0.00 0.00 179.01 179.44 1m12 h LYS 26 N 0.45 0.13 0.01 1.92 3.64 -2.00 -0.36 116.57 120.36 1m12 h LYS 26 Ca 0.13 -0.01 -0.21 0.00 -1.27 0.00 0.00 60.65 59.28 1m12 h LYS 26 Cb 0.01 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 31.80 1m12 h LYS 26 CO -0.02 0.09 -0.92 0.93 -2.27 0.00 0.00 179.45 177.25 1m12 h GLU 27 N 0.14 0.31 -0.51 1.90 5.08 -1.72 -2.46 114.58 117.32 1m12 h GLU 27 Ca 0.27 -0.34 -0.09 0.00 -1.00 0.00 0.00 59.36 58.20 1m12 h GLU 27 Cb 0.88 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.21 1m12 h GLU 27 CO -0.04 1.04 -0.05 0.82 -1.00 0.00 0.00 179.01 179.79 1m12 h ILE 28 N 0.17 1.27 -0.21 3.13 2.04 -0.75 -1.32 117.51 121.84 1m12 h ILE 28 Ca -0.07 -1.16 -0.14 0.00 1.00 0.00 0.00 64.86 64.50 1m12 h ILE 28 Cb 1.56 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 38.62 1m12 h ILE 28 CO 0.15 0.41 -0.44 -0.07 0.00 0.00 0.00 178.15 178.20 1m12 h LEU 29 N 0.79 0.56 -0.47 1.44 3.38 -1.46 -2.68 115.31 116.87 1m12 h LEU 29 Ca 0.14 -0.26 -0.07 0.00 0.09 0.00 0.00 57.88 57.78 1m12 h LEU 29 Cb 0.59 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1m12 h LEU 29 CO 0.04 0.92 0.01 -0.78 0.09 0.00 0.00 178.44 178.72 1m12 h ASP 30 N 0.42 0.80 0.60 -0.43 3.58 -1.21 -2.78 116.42 117.41 1m12 h ASP 30 Ca 0.03 -0.30 -0.03 0.00 0.42 0.00 0.00 57.03 57.15 1m12 h ASP 30 Cb 0.94 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 41.77 1m12 h ASP 30 CO 0.08 0.91 -0.15 0.00 -2.88 0.00 0.00 179.24 177.20 1m12 h ALA 31 N 0.92 1.16 -0.11 -0.78 0.00 -1.13 -2.55 119.26 116.77 1m12 h ALA 31 Ca 0.13 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1m12 h ALA 31 Cb 0.49 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1m12 h ALA 31 CO 0.02 0.19 0.29 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 -1.18 0.23 116.94 115.00 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 0.49 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.05 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 5.19 -1.60 -3.26 116.42 118.92 1m12 h ASP 33 Ca 0.05 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.46 1m12 h ASP 33 Cb 0.64 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.15 1m12 h ASP 33 CO -0.00 0.00 -0.03 2.29 -3.12 0.00 0.00 179.24 178.38 1m12 n LYS 34 N -2.97 1.21 0.10 3.56 2.85 0.62 -4.79 118.16 118.74 1m12 n LYS 34 Ca 0.02 -1.01 -0.23 0.00 -1.05 0.00 0.00 58.31 56.03 1m12 n LYS 34 Cb 0.35 -0.74 -0.15 0.00 -0.65 0.00 0.00 35.03 33.84 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 -1.02 -2.95 114.93 113.87 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 0.83 0.28 0.00 0.00 -0.80 0.00 0.00 31.60 31.91 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 -1.11 0.23 -1.47 0.00 2.88 -1.11 -3.44 113.62 109.60 1m12 n SER 37 Ca 0.04 -0.88 0.08 0.00 -1.33 0.00 0.00 58.87 56.78 1m12 n SER 37 Cb 0.03 -0.05 0.34 0.00 -0.75 0.00 0.00 64.21 63.78 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 -0.90 3.86 -4.71 -1.46 4.01 -0.22 -4.94 118.16 113.81 1m12 n LYS 38 Ca 0.21 -2.90 -0.25 0.00 -0.51 0.00 0.00 58.31 54.85 1m12 n LYS 38 Cb 0.18 -1.95 -0.14 0.00 -0.51 0.00 0.00 35.03 32.61 1m12 n LYS 38 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1m12 s LEU 39 N -2.25 2.13 0.93 -0.35 1.43 -1.22 -5.12 118.68 114.23 1m12 s LEU 39 Ca 0.48 -0.47 -0.15 0.00 -1.03 0.00 0.00 54.13 52.96 1m12 s LEU 39 Cb 0.34 -0.96 -0.06 0.00 0.03 0.00 0.00 46.19 45.54 1m12 s LEU 39 CO 0.18 0.18 -0.15 -2.65 0.23 0.00 0.00 176.35 174.14 1m12 n PRO 40 N 2.06 -0.09 0.24 1.29 -0.02 -1.26 -4.78 135.00 132.44 1m12 n PRO 40 Ca -0.17 -0.00 0.16 0.00 -2.02 0.00 0.00 63.50 61.47 1m12 n PRO 40 Cb 0.53 -1.43 0.78 0.00 -0.02 0.00 0.00 33.50 33.36 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 -1.13 0.00 0.00 -0.52 1.63 -1.99 -2.94 116.57 111.62 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 1.30 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.93 1m12 h LYS 41 CO 0.30 0.00 0.00 0.45 -3.45 0.00 0.00 179.45 176.75 1m12 n SER 42 N -2.73 0.50 -0.29 4.20 2.88 -1.26 -2.51 113.62 114.41 1m12 n SER 42 Ca -0.01 0.61 0.04 0.00 -1.33 0.00 0.00 58.87 58.18 1m12 n SER 42 Cb 0.16 -0.72 0.03 0.00 -0.75 0.00 0.00 64.21 62.93 1m12 n SER 42 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1m12 n LEU 43 N -2.04 1.56 0.00 2.46 4.77 -1.11 -4.80 117.00 117.84 1m12 n LEU 43 Ca 0.03 -0.97 0.00 0.00 -0.03 0.00 0.00 56.01 55.04 1m12 n LEU 43 Cb 0.24 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 1m12 n LEU 43 CO 0.19 0.31 0.36 -1.54 -1.33 0.00 0.00 177.39 175.39 1m12 n SER 44 N 0.33 0.00 0.02 -1.43 3.41 -1.04 -2.74 113.62 112.18 1m12 n SER 44 Ca 0.04 0.71 -0.10 0.00 -0.26 0.00 0.00 58.87 59.26 1m12 n SER 44 Cb 0.19 -0.29 -0.04 0.00 -0.26 0.00 0.00 64.21 63.81 1m12 n SER 44 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1m12 h GLU 45 N 0.00 -0.33 -0.10 4.33 4.39 -1.87 -1.85 114.58 119.15 1m12 h GLU 45 Ca 0.00 0.02 0.03 0.00 0.34 0.00 0.00 59.36 59.75 1m12 h GLU 45 Cb 0.00 0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 28.72 1m12 h GLU 45 CO 0.00 -0.22 0.23 1.05 -1.16 0.00 0.00 179.01 178.91 1m12 h GLU 46 N -0.34 0.00 0.10 2.33 -0.00 -1.89 0.19 114.58 114.97 1m12 h GLU 46 Ca 0.09 0.00 -0.19 0.00 -0.00 0.00 0.00 59.36 59.25 1m12 h GLU 46 Cb 0.46 0.00 0.02 0.00 -0.00 0.00 0.00 28.75 29.23 1m12 h GLU 46 CO -0.27 0.00 -0.81 0.00 -0.00 0.00 0.00 179.01 177.93 1m12 h GLN 48 N -0.21 0.77 -0.42 0.00 4.20 -0.71 0.24 115.11 118.98 1m12 h GLN 48 Ca -0.13 -0.05 -0.14 0.00 0.06 0.00 0.00 58.65 58.39 1m12 h GLN 48 Cb 1.58 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 29.18 1m12 h GLN 48 CO 0.15 0.51 -0.29 1.49 -0.67 0.00 0.00 178.83 180.02 1m12 h GLU 49 N 0.79 0.94 0.16 1.46 4.57 -1.52 0.10 114.58 121.09 1m12 h GLU 49 Ca 0.51 -0.45 -0.01 0.00 -1.18 0.00 0.00 59.36 58.23 1m12 h GLU 49 Cb 0.66 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.25 1m12 h GLU 49 CO -0.33 1.11 -0.08 0.28 -1.18 0.00 0.00 179.01 178.81 1m12 h VAL 50 N 0.77 0.98 0.37 0.32 2.07 -0.97 -0.73 116.25 119.06 1m12 h VAL 50 Ca 0.08 -0.88 -0.02 0.00 0.82 0.00 0.00 66.70 66.70 1m12 h VAL 50 Cb 0.88 1.49 0.00 0.00 -1.52 0.00 0.00 31.29 32.14 1m12 h VAL 50 CO 0.08 0.20 -0.18 0.58 0.02 0.00 0.00 177.57 178.27 1m12 h VAL 51 N -0.66 0.64 -0.64 2.57 2.07 -0.62 0.96 116.25 120.57 1m12 h VAL 51 Ca -0.02 -0.02 -0.04 0.00 0.82 0.00 0.00 66.70 67.45 1m12 h VAL 51 Cb 0.48 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 1m12 h VAL 51 CO 0.04 0.00 0.26 -0.78 0.02 0.00 0.00 177.57 177.11 1m12 h ASP 52 N -0.51 0.88 0.19 0.57 3.58 -1.05 0.24 116.42 120.31 1m12 h ASP 52 Ca -0.05 -0.17 -0.35 0.00 0.42 0.00 0.00 57.03 56.88 1m12 h ASP 52 Cb 0.39 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.21 1m12 h ASP 52 CO 0.08 0.81 -1.82 0.74 -2.88 0.00 0.00 179.24 176.17 1m12 h THR 53 N 0.90 0.85 -0.51 2.25 2.02 -1.09 -3.38 112.91 113.95 1m12 h THR 53 Ca 0.21 -2.47 -0.27 0.00 0.77 0.00 0.00 66.41 64.65 1m12 h THR 53 Cb 0.20 2.68 -0.16 0.00 -1.74 0.00 0.00 68.15 69.13 1m12 h THR 53 CO -0.02 0.87 0.06 -1.22 0.37 0.00 0.00 175.52 175.57 1m12 n TYR 54 N -3.55 1.58 -0.07 3.16 4.02 0.33 -4.72 117.16 117.92 1m12 n TYR 54 Ca -0.27 -1.73 -0.12 0.00 -0.01 0.00 0.00 57.90 55.77 1m12 n TYR 54 Cb 1.07 -0.61 -0.10 0.00 -0.02 0.00 0.00 39.34 39.68 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 1.07 0.00 2.00 2.72 0.00 -0.49 -2.91 103.07 105.47 1m12 h GLY 55 Ca 0.32 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.56 1m12 h GLY 55 CO 0.58 0.00 -0.44 1.76 0.00 0.00 0.00 176.54 178.44 1m12 h SER 56 N -1.00 0.00 0.02 0.19 0.02 -1.84 -3.00 113.55 107.93 1m12 h SER 56 Ca -0.03 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.82 1m12 h SER 56 Cb 0.84 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.39 1m12 h SER 56 CO -0.02 0.44 -0.40 0.77 -1.14 0.00 0.00 176.83 176.48 1m12 h SER 57 N 0.00 0.32 0.15 3.07 4.64 -1.87 -2.19 113.55 117.68 1m12 h SER 57 Ca -0.00 -0.81 0.01 0.00 -0.47 0.00 0.00 61.79 60.52 1m12 h SER 57 Cb 0.80 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.77 1m12 h SER 57 CO 0.06 1.10 -0.22 0.40 -0.87 0.00 0.00 176.83 177.30 1m12 h ILE 58 N -0.41 0.51 0.00 0.95 2.04 -1.55 -0.39 117.51 118.67 1m12 h ILE 58 Ca -0.06 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 1m12 h ILE 58 Cb 1.17 0.51 -0.00 0.00 -0.74 0.00 0.00 36.82 37.77 1m12 h ILE 58 CO 0.08 0.00 -0.03 0.25 0.00 0.00 0.00 178.15 178.45 1m12 h LEU 59 N -0.43 0.00 0.15 1.44 5.85 -1.63 -1.87 115.31 118.82 1m12 h LEU 59 Ca 0.02 0.00 -0.29 0.00 0.84 0.00 0.00 57.88 58.45 1m12 h LEU 59 Cb 0.44 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.48 1m12 h LEU 59 CO -0.10 0.03 -1.29 0.28 -0.34 0.00 0.00 178.44 177.03 1m12 h SER 60 N 0.00 0.50 -0.15 1.25 0.02 -0.45 -3.21 113.55 111.52 1m12 h SER 60 Ca -0.00 -0.54 -0.07 0.00 -0.84 0.00 0.00 61.79 60.34 1m12 h SER 60 Cb 0.09 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.46 1m12 h SER 60 CO 0.00 1.42 -0.17 0.40 -1.14 0.00 0.00 176.83 177.34 1m12 h ILE 61 N 0.09 1.35 -0.94 3.27 2.04 -0.54 -3.13 117.51 119.65 1m12 h ILE 61 Ca -0.16 -1.36 0.07 0.00 1.00 0.00 0.00 64.86 64.41 1m12 h ILE 61 Cb 2.01 1.91 -0.06 0.00 -0.74 0.00 0.00 36.82 39.94 1m12 h ILE 61 CO 0.22 0.40 0.61 -0.07 0.00 0.00 0.00 178.15 179.31 1m12 h LEU 62 N -0.01 0.95 -0.57 1.44 3.38 -1.48 0.24 115.31 119.26 1m12 h LEU 62 Ca 0.02 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1m12 h LEU 62 Cb 0.72 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1m12 h LEU 62 CO 0.04 0.60 0.00 0.18 0.09 0.00 0.00 178.44 179.35 1m12 n LEU 63 N -4.50 0.53 -1.62 1.67 4.32 -1.20 -2.45 117.00 113.74 1m12 n LEU 63 Ca 0.15 0.63 -0.12 0.00 -0.02 0.00 0.00 56.01 56.65 1m12 n LEU 63 Cb 0.21 -0.57 0.07 0.00 -1.62 0.00 0.00 43.42 41.52 1m12 n LEU 63 CO 0.32 -0.51 0.93 -0.62 -1.22 0.00 0.00 177.39 176.29 1m12 n GLU 64 N -2.09 1.60 -2.58 3.23 -0.58 0.85 -4.83 120.64 116.24 1m12 n GLU 64 Ca 0.02 -1.37 -0.11 0.00 -0.42 0.00 0.00 57.16 55.28 1m12 n GLU 64 Cb 0.21 -1.54 -0.00 0.00 -0.57 0.00 0.00 31.44 29.54 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 -0.10 -2.54 -3.44 3.49 4.71 -1.03 -4.93 120.64 116.80 1m12 n GLU 65 Ca 0.27 0.43 -0.35 0.00 -0.01 0.00 0.00 57.16 57.50 1m12 n GLU 65 Cb 0.93 -5.02 -0.06 0.00 -1.01 0.00 0.00 31.44 26.29 1m12 n GLU 65 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1m12 s VAL 66 N -2.50 4.95 0.61 2.62 1.01 -1.25 -5.04 120.40 120.80 1m12 s VAL 66 Ca 0.05 0.67 -0.18 0.00 0.00 0.00 0.00 61.98 62.52 1m12 s VAL 66 Cb -0.03 -3.70 -0.05 0.00 0.00 0.00 0.00 36.38 32.60 1m12 s VAL 66 CO 0.07 0.25 0.82 -1.20 0.00 0.00 0.00 175.10 175.04 1m12 n SER 67 N 0.81 0.16 -0.20 3.32 7.64 -1.26 -4.78 113.62 119.30 1m12 n SER 67 Ca -0.06 0.76 -0.08 0.00 1.01 0.00 0.00 58.87 60.50 1m12 n SER 67 Cb 0.52 -1.32 0.05 0.00 -1.01 0.00 0.00 64.21 62.45 1m12 n SER 67 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1m12 h PRO 68 N 0.30 1.05 0.00 1.43 0.13 -1.97 -2.99 132.00 129.95 1m12 h PRO 68 Ca -0.48 -0.32 -0.02 0.00 -0.87 0.00 0.00 66.00 64.32 1m12 h PRO 68 Cb 1.37 -0.10 -0.00 0.00 0.13 0.00 0.00 31.00 32.40 1m12 h PRO 68 CO 0.49 1.01 -0.07 1.49 -0.23 0.00 0.00 178.00 180.69 1m12 h GLU 69 N 0.96 0.00 0.00 0.86 4.57 -2.00 -2.68 114.58 116.29 1m12 h GLU 69 Ca 0.18 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.36 1m12 h GLU 69 Cb 0.53 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.12 1m12 h GLU 69 CO 0.03 0.07 0.00 -0.07 -1.18 0.00 0.00 179.01 177.86 1m12 h LEU 70 N 0.00 0.00 0.31 1.64 3.38 -1.88 -3.17 115.31 115.59 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 0.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1m12 h LEU 70 CO 0.01 0.00 -0.15 0.58 0.09 0.00 0.00 178.44 178.97 1m12 h VAL 71 N 0.00 0.71 0.00 1.22 2.07 -1.55 0.14 116.25 118.84 1m12 h VAL 71 Ca 0.00 -0.40 -0.06 0.00 0.82 0.00 0.00 66.70 67.07 1m12 h VAL 71 Cb 0.42 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 1m12 h VAL 71 CO 0.00 0.08 -0.26 0.00 0.02 0.00 0.00 177.57 177.41 1m12 h SER 73 N 0.00 0.83 -0.14 0.00 0.87 -1.56 -2.72 113.55 110.83 1m12 h SER 73 Ca -0.00 -0.71 -0.20 0.00 -1.23 0.00 0.00 61.79 59.65 1m12 h SER 73 Cb 0.57 -0.26 0.01 0.00 -0.44 0.00 0.00 62.40 62.28 1m12 h SER 73 CO 0.03 1.51 -0.70 0.24 -0.53 0.00 0.00 176.83 177.39 1m12 h MET 74 N 0.32 0.72 -0.34 2.24 2.86 -0.81 -3.02 114.93 116.90 1m12 h MET 74 Ca -0.14 -0.59 0.00 0.00 -2.06 0.00 0.00 59.70 56.91 1m12 h MET 74 Cb 1.77 0.12 0.00 0.00 0.06 0.00 0.00 31.60 33.55 1m12 h MET 74 CO 0.21 1.20 0.00 1.28 1.06 0.00 0.00 176.91 180.66 1m12 n LEU 75 N -4.02 0.34 -1.67 1.22 4.77 -0.83 -4.77 117.00 112.03 1m12 n LEU 75 Ca -0.08 -0.17 -0.11 0.00 -0.03 0.00 0.00 56.01 55.63 1m12 n LEU 75 Cb 0.70 -0.17 -0.03 0.00 -2.33 0.00 0.00 43.42 41.59 1m12 n LEU 75 CO 0.51 0.08 -0.11 1.41 -1.33 0.00 0.00 177.39 177.95 1m12 n HIS 76 N -0.12 -0.82 0.87 -1.77 8.25 -1.14 -4.75 115.22 115.73 1m12 n HIS 76 Ca 0.00 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.59 1m12 n HIS 76 Cb 0.08 -2.33 0.41 0.00 1.12 0.00 0.00 29.99 29.27 1m12 n HIS 76 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1m12 n LEU 77 N -2.04 0.39 -1.92 2.41 4.77 -1.05 -3.69 117.00 115.88 1m12 n LEU 77 Ca -0.11 0.33 -0.10 0.00 -0.03 0.00 0.00 56.01 56.10 1m12 n LEU 77 Cb 0.43 -0.35 0.06 0.00 -2.33 0.00 0.00 43.42 41.23 1m12 n LEU 77 CO 0.16 -0.01 0.15 0.00 -1.33 0.00 0.00 177.39 176.36 1m12 n SER 79 N -0.64 -1.31 0.00 0.00 2.88 -1.24 -3.68 113.62 109.63 1m12 n SER 79 Ca 0.27 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.81 1m12 n SER 79 Cb 0.89 -1.59 0.00 0.00 -0.75 0.00 0.00 64.21 62.77 1m12 n SER 79 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1m12 n GLY 80 N -0.08 0.28 2.61 0.46 0.00 -1.26 -4.71 105.19 102.49 1m12 n GLY 80 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 0.00 0.49 -4.09 0.99 4.77 -1.24 -4.66 117.00 113.26 1m12 n LEU 81 Ca 0.00 -0.88 -0.36 0.00 -0.03 0.00 0.00 56.01 54.74 1m12 n LEU 81 Cb 0.00 -0.26 -0.11 0.00 -2.33 0.00 0.00 43.42 40.72 1m12 n LEU 81 CO 0.00 -0.54 -0.07 0.68 -1.33 0.00 0.00 177.39 176.13 1m12 s VAL 82 N 3.46 3.42 -1.75 4.08 -7.23 -1.26 -4.93 120.40 116.17 1m12 s VAL 82 Ca 0.05 -2.61 0.00 0.00 -1.81 0.00 0.00 61.98 57.62 1m12 s VAL 82 Cb 0.02 -3.29 0.00 0.00 0.56 0.00 0.00 36.38 33.67 1m12 s VAL 82 CO -0.00 -0.79 0.21 -0.81 -0.31 0.00 0.00 175.10 173.40 1m12 n PRO 83 N 3.92 0.24 -0.37 4.82 -0.05 -1.26 -5.14 135.00 137.17 1m12 n PRO 83 Ca 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.48 1m12 n PRO 83 Cb 0.39 -1.03 0.00 0.00 -0.05 0.00 0.00 33.50 32.81 1m12 n PRO 83 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 175.50 173.32