#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 5.28 0.15 6.43 2.15 -1.26 -4.81 116.67 124.61 1m12 s ASP 2 Ca 0.00 0.45 0.11 0.00 0.43 0.00 0.00 52.55 53.54 1m12 s ASP 2 Cb 0.00 -2.53 0.57 0.00 -0.30 0.00 0.00 42.92 40.66 1m12 s ASP 2 CO 0.00 -2.35 1.33 1.33 -0.17 0.00 0.00 175.17 175.31 1m12 n VAL 3 N 7.27 1.52 -0.03 1.11 0.24 -1.26 -2.74 118.33 124.44 1m12 n VAL 3 Ca 0.21 0.60 -0.15 0.00 -2.04 0.00 0.00 64.34 62.97 1m12 n VAL 3 Cb 0.52 -1.60 -0.11 0.00 -1.47 0.00 0.00 33.84 31.18 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 0.28 -0.96 6.34 0.05 -1.92 -2.86 116.97 117.91 1m12 h TYR 4 Ca 0.00 -0.13 0.12 0.00 0.05 0.00 0.00 58.73 58.77 1m12 h TYR 4 Cb 0.01 -0.04 -0.08 0.00 1.01 0.00 0.00 36.73 37.63 1m12 h TYR 4 CO 0.00 0.88 0.61 0.00 -1.05 0.00 0.00 178.16 178.60 1m12 h GLU 6 N 0.91 0.68 -0.17 0.00 4.81 -1.63 -2.53 114.58 116.65 1m12 h GLU 6 Ca 0.47 -0.11 -0.16 0.00 -0.13 0.00 0.00 59.36 59.44 1m12 h GLU 6 Cb 0.52 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.79 1m12 h GLU 6 CO -0.23 0.59 -0.51 0.28 -0.73 0.00 0.00 179.01 178.40 1m12 h VAL 7 N 0.61 1.32 -0.25 0.32 2.07 -1.05 -2.16 116.25 117.11 1m12 h VAL 7 Ca 0.16 -1.76 0.00 0.00 0.82 0.00 0.00 66.70 65.92 1m12 h VAL 7 Cb 0.14 1.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.85 1m12 h VAL 7 CO -0.02 0.55 0.16 0.00 0.02 0.00 0.00 177.57 178.27 1m12 h GLU 9 N 0.35 0.00 -0.10 0.00 4.39 -1.41 -2.62 114.58 115.18 1m12 h GLU 9 Ca 0.09 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.75 1m12 h GLU 9 Cb -0.02 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.63 1m12 h GLU 9 CO -0.02 0.85 -0.12 0.35 -1.16 0.00 0.00 179.01 178.91 1m12 h PHE 10 N 0.00 0.31 -0.49 4.33 3.57 -0.40 -1.08 116.94 123.18 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 1.63 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 40.29 1m12 h PHE 10 CO 0.00 0.70 0.25 -0.07 -2.23 0.00 0.00 178.31 176.96 1m12 h LEU 11 N -0.17 0.64 -0.19 0.59 3.38 -1.17 -0.66 115.31 117.73 1m12 h LEU 11 Ca 0.01 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 57.87 1m12 h LEU 11 Cb 0.66 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1m12 h LEU 11 CO 0.03 0.58 0.11 0.58 0.09 0.00 0.00 178.44 179.82 1m12 h VAL 12 N 0.65 1.02 -0.63 1.22 2.07 -1.45 0.64 116.25 119.78 1m12 h VAL 12 Ca 0.17 -0.08 0.03 0.00 0.82 0.00 0.00 66.70 67.65 1m12 h VAL 12 Cb 0.10 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 1m12 h VAL 12 CO -0.02 0.04 0.38 0.50 0.02 0.00 0.00 177.57 178.49 1m12 h LYS 13 N 0.22 0.72 -0.31 1.57 3.64 -0.90 -0.01 116.57 121.51 1m12 h LYS 13 Ca 0.07 -0.04 -0.16 0.00 -1.27 0.00 0.00 60.65 59.25 1m12 h LYS 13 Cb -0.00 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 31.65 1m12 h LYS 13 CO -0.04 0.48 -0.46 0.93 -2.27 0.00 0.00 179.45 178.09 1m12 h GLU 14 N 0.75 0.82 -0.27 1.90 3.07 -0.63 -2.90 114.58 117.31 1m12 h GLU 14 Ca 0.26 -0.47 -0.05 0.00 -0.50 0.00 0.00 59.36 58.60 1m12 h GLU 14 Cb 0.04 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 27.97 1m12 h GLU 14 CO -0.11 1.10 -0.04 0.28 -1.40 0.00 0.00 179.01 178.84 1m12 h VAL 15 N 0.65 1.27 -0.82 3.13 2.07 0.83 -2.34 116.25 121.05 1m12 h VAL 15 Ca 0.04 -1.02 -0.01 0.00 0.82 0.00 0.00 66.70 66.53 1m12 h VAL 15 Cb 1.04 1.40 -0.04 0.00 -1.52 0.00 0.00 31.29 32.17 1m12 h VAL 15 CO 0.10 0.32 0.46 0.71 0.02 0.00 0.00 177.57 179.18 1m12 h THR 16 N 0.26 1.24 -0.50 2.57 1.35 -1.02 0.61 112.91 117.42 1m12 h THR 16 Ca 0.07 -0.57 -0.00 0.00 -0.55 0.00 0.00 66.41 65.36 1m12 h THR 16 Cb 0.49 0.12 -0.02 0.00 -1.73 0.00 0.00 68.15 67.00 1m12 h THR 16 CO 0.02 0.26 0.29 0.50 -0.25 0.00 0.00 175.52 176.34 1m12 h LYS 17 N 1.14 0.68 -0.17 4.72 3.64 -1.38 1.11 116.57 126.30 1m12 h LYS 17 Ca 0.29 -0.06 -0.19 0.00 -1.27 0.00 0.00 60.65 59.42 1m12 h LYS 17 Cb 0.01 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.68 1m12 h LYS 17 CO -0.05 0.48 -0.68 -0.07 -2.27 0.00 0.00 179.45 176.87 1m12 h LEU 18 N 0.69 0.76 -1.00 5.20 3.38 -0.35 0.91 115.31 124.91 1m12 h LEU 18 Ca 0.18 -0.46 -0.10 0.00 0.09 0.00 0.00 57.88 57.59 1m12 h LEU 18 Cb -0.01 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 1m12 h LEU 18 CO -0.03 1.23 -0.42 0.40 0.09 0.00 0.00 178.44 179.70 1m12 h ILE 19 N 0.47 1.31 0.00 1.22 2.04 0.16 -2.36 117.51 120.36 1m12 h ILE 19 Ca -0.02 -1.52 -0.07 0.00 1.00 0.00 0.00 64.86 64.24 1m12 h ILE 19 Cb 1.27 1.73 -0.01 0.00 -0.74 0.00 0.00 36.82 39.07 1m12 h ILE 19 CO 0.13 0.45 -0.35 0.44 0.00 0.00 0.00 178.15 178.82 1m12 h ASP 20 N 0.13 0.00 0.00 1.72 5.19 0.16 -3.08 116.42 120.55 1m12 h ASP 20 Ca 0.01 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.42 1m12 h ASP 20 Cb 0.81 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.32 1m12 h ASP 20 CO 0.06 0.35 -0.01 -3.20 -3.12 0.00 0.00 179.24 173.33 1m12 n ASN 21 N -3.27 1.13 -0.44 6.45 2.85 0.28 -4.94 115.26 117.31 1m12 n ASN 21 Ca 0.02 -1.35 0.00 0.00 -0.11 0.00 0.00 54.58 53.13 1m12 n ASN 21 Cb 0.61 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.63 1m12 n ASN 21 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1m12 n ASN 22 N -0.14 -1.83 -4.90 1.20 2.85 -1.12 -5.07 115.26 106.26 1m12 n ASN 22 Ca 0.20 0.00 -0.30 0.00 -0.11 0.00 0.00 54.58 54.37 1m12 n ASN 22 Cb 0.30 -0.47 -0.04 0.00 1.24 0.00 0.00 39.78 40.81 1m12 n ASN 22 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1m12 s LYS 23 N -4.65 3.60 0.64 1.20 1.02 -1.11 -5.07 119.74 115.37 1m12 s LYS 23 Ca 0.00 -0.12 -0.11 0.00 0.02 0.00 0.00 55.97 55.76 1m12 s LYS 23 Cb 0.00 -2.82 -0.03 0.00 -0.52 0.00 0.00 37.83 34.47 1m12 s LYS 23 CO 0.00 0.42 1.04 0.95 -0.92 0.00 0.00 175.35 176.84 1m12 s THR 24 N -1.75 4.49 0.23 2.17 -4.23 -1.26 -4.84 115.64 110.45 1m12 s THR 24 Ca 0.41 0.81 -0.07 0.00 -1.18 0.00 0.00 61.69 61.66 1m12 s THR 24 Cb -0.12 -3.73 0.18 0.00 1.34 0.00 0.00 72.50 70.17 1m12 s THR 24 CO 0.26 -1.05 1.75 -0.08 -0.54 0.00 0.00 174.62 174.95 1m12 h GLU 25 N -0.44 0.47 -0.63 3.99 4.81 -2.00 0.11 114.58 120.89 1m12 h GLU 25 Ca -0.44 -0.03 0.13 0.00 -0.13 0.00 0.00 59.36 58.90 1m12 h GLU 25 Cb 1.20 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 30.44 1m12 h GLU 25 CO 0.61 0.31 0.43 -0.22 -0.73 0.00 0.00 179.01 179.41 1m12 h LYS 26 N 0.48 0.27 -0.01 1.92 3.11 -2.00 -1.11 116.57 119.23 1m12 h LYS 26 Ca 0.36 -0.02 -0.22 0.00 -2.81 0.00 0.00 60.65 57.96 1m12 h LYS 26 Cb 0.47 -0.06 0.00 0.00 -1.00 0.00 0.00 32.23 31.64 1m12 h LYS 26 CO -0.33 0.18 -0.92 0.93 -2.81 0.00 0.00 179.45 176.49 1m12 h GLU 27 N 0.27 0.41 -0.55 1.90 5.08 -1.14 -2.35 114.58 118.20 1m12 h GLU 27 Ca 0.30 -0.43 -0.09 0.00 -1.00 0.00 0.00 59.36 58.14 1m12 h GLU 27 Cb 0.81 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.16 1m12 h GLU 27 CO -0.07 1.09 -0.02 0.82 -1.00 0.00 0.00 179.01 179.84 1m12 h ILE 28 N 0.23 1.27 0.00 3.13 2.04 -0.82 -0.42 117.51 122.93 1m12 h ILE 28 Ca -0.07 -1.14 -0.09 0.00 1.00 0.00 0.00 64.86 64.55 1m12 h ILE 28 Cb 1.56 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 38.52 1m12 h ILE 28 CO 0.16 0.41 -0.43 -0.07 0.00 0.00 0.00 178.15 178.21 1m12 h LEU 29 N 0.87 0.00 -0.17 1.44 3.38 -1.47 -2.35 115.31 117.01 1m12 h LEU 29 Ca 0.15 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.04 1m12 h LEU 29 Cb 0.56 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 1m12 h LEU 29 CO 0.03 0.43 -0.22 -0.78 0.09 0.00 0.00 178.44 177.99 1m12 h ASP 30 N 0.00 0.49 0.67 -0.43 1.82 -0.84 -3.10 116.42 115.03 1m12 h ASP 30 Ca -0.00 -0.51 -0.04 0.00 -0.39 0.00 0.00 57.03 56.08 1m12 h ASP 30 Cb 0.92 -0.14 -0.01 0.00 0.68 0.00 0.00 39.33 40.78 1m12 h ASP 30 CO 0.06 0.90 -0.21 0.00 -1.61 0.00 0.00 179.24 178.38 1m12 h ALA 31 N 0.60 1.13 0.00 -0.78 0.00 -0.95 -2.85 119.26 116.41 1m12 h ALA 31 Ca 0.02 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1m12 h ALA 31 Cb 0.79 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1m12 h ALA 31 CO 0.05 0.26 0.34 1.19 0.00 0.00 0.00 179.25 181.09 1m12 n PHE 32 N -3.53 0.38 0.40 0.00 3.01 -0.90 0.63 117.46 117.46 1m12 n PHE 32 Ca -0.01 0.20 0.12 0.00 1.01 0.00 0.00 57.45 58.77 1m12 n PHE 32 Cb 0.36 -0.59 0.23 0.00 -0.01 0.00 0.00 39.48 39.47 1m12 n PHE 32 CO 0.00 0.00 0.00 0.22 1.01 0.00 0.00 176.76 177.99 1m12 h ASP 33 N 0.00 0.00 0.00 4.37 3.58 -1.69 -3.33 116.42 119.36 1m12 h ASP 33 Ca 0.00 -0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.41 1m12 h ASP 33 Cb 0.68 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.73 1m12 h ASP 33 CO 0.00 0.02 0.00 0.29 -2.88 0.00 0.00 179.24 176.67 1m12 n LYS 34 N -2.59 1.87 0.01 0.28 5.02 0.21 -4.79 118.16 118.16 1m12 n LYS 34 Ca 0.04 -1.13 -0.20 0.00 -2.02 0.00 0.00 58.31 55.00 1m12 n LYS 34 Cb 0.48 -0.84 -0.14 0.00 -0.02 0.00 0.00 35.03 34.51 1m12 n LYS 34 CO 0.00 0.00 0.00 1.98 -0.52 0.00 0.00 177.40 178.86 1m12 h MET 35 N 0.00 0.21 0.00 1.97 4.05 -1.38 -3.07 114.93 116.71 1m12 h MET 35 Ca 0.00 -0.36 0.00 0.00 -0.28 0.00 0.00 59.70 59.06 1m12 h MET 35 Cb 0.63 0.14 0.00 0.00 -0.80 0.00 0.00 31.60 31.56 1m12 h MET 35 CO 0.00 1.17 0.00 0.00 0.23 0.00 0.00 176.91 178.31 1m12 n SER 37 N -1.20 0.37 -1.22 0.00 7.64 -1.16 -3.38 113.62 114.68 1m12 n SER 37 Ca 0.02 0.54 0.04 0.00 1.01 0.00 0.00 58.87 60.49 1m12 n SER 37 Cb 0.03 -0.64 0.23 0.00 -1.01 0.00 0.00 64.21 62.82 1m12 n SER 37 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1m12 n LYS 38 N -1.85 3.05 -4.83 1.43 4.76 -0.17 -4.85 118.16 115.69 1m12 n LYS 38 Ca 0.06 -1.76 -0.26 0.00 -2.87 0.00 0.00 58.31 53.48 1m12 n LYS 38 Cb 0.37 -1.85 -0.15 0.00 -1.84 0.00 0.00 35.03 31.56 1m12 n LYS 38 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1m12 s LEU 39 N -1.49 2.10 0.92 -0.35 1.43 -1.22 -5.12 118.68 114.96 1m12 s LEU 39 Ca 0.31 -0.44 -0.17 0.00 -1.03 0.00 0.00 54.13 52.80 1m12 s LEU 39 Cb 0.22 -1.02 -0.12 0.00 0.03 0.00 0.00 46.19 45.31 1m12 s LEU 39 CO 0.11 0.21 -0.52 -2.65 0.23 0.00 0.00 176.35 173.72 1m12 n PRO 40 N 2.24 -0.02 0.28 1.29 -0.02 -1.26 -4.67 135.00 132.83 1m12 n PRO 40 Ca -0.16 0.00 0.14 0.00 -2.02 0.00 0.00 63.50 61.46 1m12 n PRO 40 Cb 0.53 -1.14 0.80 0.00 -0.02 0.00 0.00 33.50 33.67 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 -0.91 0.00 0.00 -0.52 3.64 -1.95 -2.70 116.57 114.12 1m12 h LYS 41 Ca -0.44 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 1m12 h LYS 41 Cb 1.32 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.14 1m12 h LYS 41 CO 0.28 0.08 0.00 -1.13 -2.27 0.00 0.00 179.45 176.40 1m12 n SER 42 N -3.67 0.00 -0.10 4.20 3.41 -1.26 -2.52 113.62 113.69 1m12 n SER 42 Ca -0.02 0.19 0.03 0.00 -0.26 0.00 0.00 58.87 58.81 1m12 n SER 42 Cb 0.19 -0.37 -0.01 0.00 -0.26 0.00 0.00 64.21 63.76 1m12 n SER 42 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1m12 n LEU 43 N -1.37 0.74 -0.19 1.04 7.94 -1.03 -4.76 117.00 119.37 1m12 n LEU 43 Ca 0.08 -0.69 -0.05 0.00 -1.11 0.00 0.00 56.01 54.24 1m12 n LEU 43 Cb 0.21 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.11 1m12 n LEU 43 CO 0.18 0.16 0.43 -0.24 -1.11 0.00 0.00 177.39 176.81 1m12 n SER 44 N -0.56 -0.49 0.04 1.96 2.88 -1.05 -3.22 113.62 113.18 1m12 n SER 44 Ca 0.02 1.23 -0.11 0.00 -1.33 0.00 0.00 58.87 58.68 1m12 n SER 44 Cb 0.11 -0.31 -0.04 0.00 -0.75 0.00 0.00 64.21 63.22 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 -0.35 -0.04 -1.46 4.39 -1.86 -2.44 114.58 112.83 1m12 h GLU 45 Ca 0.07 0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.81 1m12 h GLU 45 Cb 0.19 0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 28.92 1m12 h GLU 45 CO -0.43 -0.23 0.21 0.93 -1.16 0.00 0.00 179.01 178.33 1m12 h GLU 46 N -0.36 0.00 0.20 2.33 3.07 -1.90 0.62 114.58 118.54 1m12 h GLU 46 Ca 0.08 0.00 -0.27 0.00 -0.50 0.00 0.00 59.36 58.67 1m12 h GLU 46 Cb 0.47 0.00 0.03 0.00 -0.84 0.00 0.00 28.75 28.41 1m12 h GLU 46 CO -0.25 0.00 -1.19 0.00 -1.40 0.00 0.00 179.01 176.17 1m12 h GLN 48 N -0.10 0.36 -0.47 0.00 5.75 -0.75 0.30 115.11 120.20 1m12 h GLN 48 Ca -0.21 -0.02 -0.07 0.00 -0.15 0.00 0.00 58.65 58.20 1m12 h GLN 48 Cb 1.93 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 30.38 1m12 h GLN 48 CO 0.21 0.24 0.01 0.93 -2.65 0.00 0.00 178.83 177.57 1m12 h GLU 49 N 0.37 0.82 -0.02 1.69 5.08 -1.56 0.11 114.58 121.07 1m12 h GLU 49 Ca 0.24 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1m12 h GLU 49 Cb 0.24 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 1m12 h GLU 49 CO -0.23 0.87 -0.01 0.28 -1.00 0.00 0.00 179.01 178.91 1m12 h VAL 50 N 0.68 1.33 0.26 3.13 2.07 -1.16 -0.18 116.25 122.37 1m12 h VAL 50 Ca 0.13 -0.99 -0.01 0.00 0.82 0.00 0.00 66.70 66.65 1m12 h VAL 50 Cb 0.49 1.95 0.00 0.00 -1.52 0.00 0.00 31.29 32.22 1m12 h VAL 50 CO 0.02 0.26 -0.12 0.58 0.02 0.00 0.00 177.57 178.33 1m12 h VAL 51 N -0.35 0.76 -0.57 2.57 2.07 -0.40 0.86 116.25 121.18 1m12 h VAL 51 Ca 0.01 -0.07 -0.04 0.00 0.82 0.00 0.00 66.70 67.42 1m12 h VAL 51 Cb 0.43 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 1m12 h VAL 51 CO 0.00 0.01 0.22 -0.78 0.02 0.00 0.00 177.57 177.04 1m12 h ASP 52 N -0.38 0.80 0.18 0.57 3.58 -0.83 0.27 116.42 120.61 1m12 h ASP 52 Ca -0.04 -0.18 -0.31 0.00 0.42 0.00 0.00 57.03 56.92 1m12 h ASP 52 Cb 0.29 -0.21 0.01 0.00 1.72 0.00 0.00 39.33 41.15 1m12 h ASP 52 CO 0.06 0.77 -1.53 0.74 -2.88 0.00 0.00 179.24 176.39 1m12 h THR 53 N 0.79 1.07 -0.52 2.25 2.02 -0.98 -3.38 112.91 114.17 1m12 h THR 53 Ca 0.19 -2.52 -0.30 0.00 0.77 0.00 0.00 66.41 64.56 1m12 h THR 53 Cb 0.22 2.84 -0.18 0.00 -1.74 0.00 0.00 68.15 69.30 1m12 h THR 53 CO -0.01 0.80 0.00 -1.22 0.37 0.00 0.00 175.52 175.46 1m12 n TYR 54 N -3.75 1.65 -0.06 3.16 4.01 0.30 -4.74 117.16 117.72 1m12 n TYR 54 Ca -0.22 -1.82 -0.09 0.00 -0.16 0.00 0.00 57.90 55.61 1m12 n TYR 54 Cb 1.01 -0.61 -0.08 0.00 -0.31 0.00 0.00 39.34 39.36 1m12 n TYR 54 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1m12 h GLY 55 N 1.19 0.00 2.00 2.72 0.00 -0.45 -2.90 103.07 105.63 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 0.61 0.00 -0.44 1.76 0.00 0.00 0.00 176.54 178.47 1m12 h SER 56 N -1.00 0.00 -0.01 0.19 0.02 -1.85 -2.92 113.55 107.98 1m12 h SER 56 Ca -0.01 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.89 1m12 h SER 56 Cb 0.61 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.16 1m12 h SER 56 CO -0.01 0.44 -0.19 0.77 -1.14 0.00 0.00 176.83 176.71 1m12 h SER 57 N 0.00 0.18 -0.48 3.07 4.64 -1.87 -1.70 113.55 117.38 1m12 h SER 57 Ca -0.00 -0.75 0.09 0.00 -0.47 0.00 0.00 61.79 60.65 1m12 h SER 57 Cb 0.78 -0.05 -0.07 0.00 -0.31 0.00 0.00 62.40 62.75 1m12 h SER 57 CO 0.06 0.90 0.07 0.40 -0.87 0.00 0.00 176.83 177.39 1m12 h ILE 58 N -0.53 0.70 0.00 0.95 2.04 -1.55 0.27 117.51 119.40 1m12 h ILE 58 Ca -0.02 -0.07 -0.00 0.00 1.00 0.00 0.00 64.86 65.77 1m12 h ILE 58 Cb 0.92 0.48 -0.00 0.00 -0.74 0.00 0.00 36.82 37.49 1m12 h ILE 58 CO 0.04 0.04 -0.02 -0.07 0.00 0.00 0.00 178.15 178.14 1m12 h LEU 59 N 0.20 0.00 0.11 1.44 -0.00 -1.52 -2.16 115.31 113.37 1m12 h LEU 59 Ca 0.24 0.00 -0.29 0.00 -0.00 0.00 0.00 57.88 57.83 1m12 h LEU 59 Cb 0.34 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.99 1m12 h LEU 59 CO -0.34 0.02 -1.45 -1.28 -0.00 0.00 0.00 178.44 175.39 1m12 h SER 60 N 0.00 0.35 -0.10 -0.43 0.87 0.47 -3.30 113.55 111.41 1m12 h SER 60 Ca -0.00 -0.46 -0.06 0.00 -1.23 0.00 0.00 61.79 60.04 1m12 h SER 60 Cb 0.04 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 61.88 1m12 h SER 60 CO 0.00 1.38 -0.17 0.40 -0.53 0.00 0.00 176.83 177.91 1m12 h ILE 61 N 0.06 1.39 -0.83 2.23 2.04 -0.96 -3.13 117.51 118.31 1m12 h ILE 61 Ca -0.21 -1.45 0.12 0.00 1.00 0.00 0.00 64.86 64.33 1m12 h ILE 61 Cb 1.99 2.11 -0.06 0.00 -0.74 0.00 0.00 36.82 40.12 1m12 h ILE 61 CO 0.16 0.41 0.54 -0.07 0.00 0.00 0.00 178.15 179.20 1m12 h LEU 62 N -0.16 0.62 -0.56 1.44 3.38 -1.55 0.39 115.31 118.87 1m12 h LEU 62 Ca 0.01 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1m12 h LEU 62 Cb 0.75 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1m12 h LEU 62 CO 0.04 0.34 0.00 -0.07 0.09 0.00 0.00 178.44 178.84 1m12 h LEU 63 N 0.67 0.00 -2.62 1.67 3.38 -1.63 -2.90 115.31 113.88 1m12 h LEU 63 Ca 0.40 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.22 1m12 h LEU 63 Cb 0.62 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.28 1m12 h LEU 63 CO -0.17 0.00 0.20 -0.62 0.09 0.00 0.00 178.44 177.94 1m12 n GLU 64 N -2.33 1.38 -2.73 1.13 -0.58 0.14 -4.81 120.64 112.83 1m12 n GLU 64 Ca 0.03 -0.90 -0.14 0.00 -0.42 0.00 0.00 57.16 55.73 1m12 n GLU 64 Cb 0.30 -1.35 -0.00 0.00 -0.57 0.00 0.00 31.44 29.81 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 0.03 -2.68 -3.45 3.49 1.02 -1.09 -4.94 120.64 113.02 1m12 n GLU 65 Ca 0.18 0.48 -0.35 0.00 -0.02 0.00 0.00 57.16 57.45 1m12 n GLU 65 Cb 0.84 -5.10 -0.06 0.00 -0.02 0.00 0.00 31.44 27.10 1m12 n GLU 65 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1m12 s VAL 66 N -2.63 4.96 0.59 2.62 1.01 -1.25 -5.04 120.40 120.66 1m12 s VAL 66 Ca 0.12 0.64 -0.19 0.00 0.00 0.00 0.00 61.98 62.56 1m12 s VAL 66 Cb -0.07 -3.69 -0.06 0.00 0.00 0.00 0.00 36.38 32.57 1m12 s VAL 66 CO 0.15 0.24 0.89 -1.20 0.00 0.00 0.00 175.10 175.18 1m12 n SER 67 N 0.77 0.50 -0.19 3.32 7.64 -1.26 -4.78 113.62 119.61 1m12 n SER 67 Ca -0.06 0.81 -0.07 0.00 1.01 0.00 0.00 58.87 60.56 1m12 n SER 67 Cb 0.52 -1.35 0.09 0.00 -1.01 0.00 0.00 64.21 62.46 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 0.50 1.00 0.00 1.43 0.13 -1.97 -2.96 132.00 130.14 1m12 h PRO 68 Ca -0.48 -0.27 -0.01 0.00 -0.87 0.00 0.00 66.00 64.38 1m12 h PRO 68 Cb 1.37 -0.12 -0.00 0.00 0.13 0.00 0.00 31.00 32.38 1m12 h PRO 68 CO 0.50 0.94 -0.04 1.49 -0.23 0.00 0.00 178.00 180.66 1m12 h GLU 69 N 0.94 0.00 0.00 0.86 4.81 -2.00 -2.77 114.58 116.42 1m12 h GLU 69 Ca 0.18 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1m12 h GLU 69 Cb 0.44 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.82 1m12 h GLU 69 CO 0.01 0.04 0.00 -0.07 -0.73 0.00 0.00 179.01 178.26 1m12 h LEU 70 N 0.00 0.00 0.41 1.64 3.38 -1.88 -3.20 115.31 115.66 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 0.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1m12 h LEU 70 CO 0.00 0.00 -0.19 0.58 0.09 0.00 0.00 178.44 178.92 1m12 h VAL 71 N 0.00 0.54 0.00 1.22 2.07 -1.57 0.34 116.25 118.85 1m12 h VAL 71 Ca 0.00 -0.46 -0.04 0.00 0.82 0.00 0.00 66.70 67.02 1m12 h VAL 71 Cb 0.40 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 1m12 h VAL 71 CO 0.00 0.08 -0.20 0.00 0.02 0.00 0.00 177.57 177.47 1m12 h SER 73 N 0.00 0.83 -0.19 0.00 0.87 -1.57 -2.52 113.55 110.97 1m12 h SER 73 Ca -0.00 -0.69 -0.21 0.00 -1.23 0.00 0.00 61.79 59.66 1m12 h SER 73 Cb 0.41 -0.26 0.01 0.00 -0.44 0.00 0.00 62.40 62.12 1m12 h SER 73 CO 0.03 1.50 -0.69 0.24 -0.53 0.00 0.00 176.83 177.38 1m12 h MET 74 N 0.33 0.79 -0.58 2.24 2.86 -0.67 -2.99 114.93 116.91 1m12 h MET 74 Ca -0.14 -0.61 0.00 0.00 -2.06 0.00 0.00 59.70 56.90 1m12 h MET 74 Cb 1.75 0.11 0.00 0.00 0.06 0.00 0.00 31.60 33.52 1m12 h MET 74 CO 0.21 1.22 0.00 1.28 1.06 0.00 0.00 176.91 180.68 1m12 n LEU 75 N -3.99 0.58 -2.25 1.22 4.77 -0.76 -4.76 117.00 111.82 1m12 n LEU 75 Ca -0.07 -0.29 -0.05 0.00 -0.03 0.00 0.00 56.01 55.58 1m12 n LEU 75 Cb 0.70 -0.29 -0.01 0.00 -2.33 0.00 0.00 43.42 41.50 1m12 n LEU 75 CO 0.52 0.14 -0.06 0.00 -1.33 0.00 0.00 177.39 176.66 1m12 n HIS 76 N 0.11 -1.60 0.57 -1.77 1.44 -1.13 -4.72 115.22 108.12 1m12 n HIS 76 Ca 0.00 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.83 1m12 n HIS 76 Cb 0.14 -1.67 0.15 0.00 0.12 0.00 0.00 29.99 28.73 1m12 n HIS 76 CO 0.00 0.00 0.00 -0.11 -2.81 0.00 0.00 176.34 173.42 1m12 n LEU 77 N -2.39 0.68 -3.70 2.39 7.94 -1.00 -4.43 117.00 116.48 1m12 n LEU 77 Ca -0.06 0.19 -0.28 0.00 -1.11 0.00 0.00 56.01 54.75 1m12 n LEU 77 Cb 0.48 -0.17 -0.11 0.00 0.53 0.00 0.00 43.42 44.14 1m12 n LEU 77 CO 0.07 -0.04 -0.16 0.00 -1.11 0.00 0.00 177.39 176.15 1m12 n SER 79 N 2.44 0.23 0.00 0.00 2.88 -1.26 -4.77 113.62 113.15 1m12 n SER 79 Ca 0.22 0.53 0.00 0.00 -1.33 0.00 0.00 58.87 58.29 1m12 n SER 79 Cb 0.39 -0.53 0.00 0.00 -0.75 0.00 0.00 64.21 63.33 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 -1.33 -1.72 3.57 0.46 0.00 -1.26 -4.69 105.19 100.22 1m12 n GLY 80 Ca -0.01 -2.04 -0.28 0.00 0.00 0.00 0.00 46.02 43.70 1m12 n GLY 80 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1m12 s LEU 81 N 0.00 3.08 0.15 0.99 1.02 -1.26 -4.92 118.68 117.73 1m12 s LEU 81 Ca 0.00 -1.42 -0.04 0.00 0.02 0.00 0.00 54.13 52.69 1m12 s LEU 81 Cb 0.00 -2.58 -0.05 0.00 0.02 0.00 0.00 46.19 43.57 1m12 s LEU 81 CO 0.00 -3.01 0.38 0.68 0.02 0.00 0.00 176.35 174.42 1m12 s VAL 82 N 10.83 5.17 -0.90 -1.59 -7.23 -1.26 -4.93 120.40 120.49 1m12 s VAL 82 Ca 0.69 -0.01 -0.18 0.00 -1.81 0.00 0.00 61.98 60.68 1m12 s VAL 82 Cb -0.02 -3.63 -0.25 0.00 0.56 0.00 0.00 36.38 33.04 1m12 s VAL 82 CO 0.10 0.02 2.31 -2.65 -0.31 0.00 0.00 175.10 174.57 1m12 n PRO 83 N 0.02 0.25 0.00 4.82 -0.02 -1.26 -5.11 135.00 133.69 1m12 n PRO 83 Ca -0.03 -0.28 0.16 0.00 -2.02 0.00 0.00 63.50 61.33 1m12 n PRO 83 Cb 0.52 -2.08 0.89 0.00 -0.02 0.00 0.00 33.50 32.80 1m12 n PRO 83 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35