#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c20 s TRP 4 N 0.00 2.13 0.38 1.61 -0.00 -1.26 -4.98 118.94 116.82 1c20 s TRP 4 Ca 0.00 0.08 -0.01 0.00 -0.00 0.00 0.00 56.10 56.17 1c20 s TRP 4 Cb 0.00 -4.46 -0.03 0.00 -0.00 0.00 0.00 33.47 28.97 1c20 s TRP 4 CO 0.00 -2.09 0.61 -1.54 -0.00 0.00 0.00 176.95 173.93 1c20 s SER 5 N 5.36 6.29 0.15 5.86 1.04 -1.26 -5.00 113.70 126.13 1c20 s SER 5 Ca 0.47 0.57 -0.13 0.00 0.48 0.00 0.00 55.95 57.35 1c20 s SER 5 Cb -0.08 -2.08 0.02 0.00 0.10 0.00 0.00 66.02 63.98 1c20 s SER 5 CO 0.11 -0.37 1.63 -0.26 0.98 0.00 0.00 173.24 175.33 1c20 h PHE 6 N 0.62 0.90 0.00 5.02 0.04 -2.02 -1.95 116.94 119.55 1c20 h PHE 6 Ca -0.49 -0.13 0.00 0.00 2.80 0.00 0.00 57.97 60.15 1c20 h PHE 6 Cb 1.22 -0.24 0.00 0.00 2.20 0.00 0.00 35.95 39.12 1c20 h PHE 6 CO 0.53 0.82 0.00 1.05 -0.60 0.00 0.00 178.31 180.11 1c20 h GLU 7 N 0.71 0.00 -0.18 1.51 4.11 -2.00 -2.05 114.58 116.68 1c20 h GLU 7 Ca 0.15 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.55 1c20 h GLU 7 Cb 0.42 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 1c20 h GLU 7 CO 0.01 0.00 0.01 1.49 0.07 0.00 0.00 179.01 180.59 1c20 h GLU 8 N 0.00 0.32 0.00 1.06 4.81 -1.74 -2.21 114.58 116.82 1c20 h GLU 8 Ca 0.00 -0.10 -0.04 0.00 -0.13 0.00 0.00 59.36 59.09 1c20 h GLU 8 Cb 0.06 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 1c20 h GLU 8 CO 0.00 0.52 -0.19 0.37 -0.73 0.00 0.00 179.01 178.98 1c20 h GLN 9 N 0.08 0.00 0.66 1.92 4.15 -1.47 -2.71 115.11 117.73 1c20 h GLN 9 Ca 0.05 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.44 1c20 h GLN 9 Cb 0.37 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.07 1c20 h GLN 9 CO 0.01 0.19 -0.32 0.35 -1.93 0.00 0.00 178.83 177.13 1c20 h PHE 10 N 0.00 -0.82 0.00 3.99 3.57 -1.29 -2.73 116.94 119.66 1c20 h PHE 10 Ca -0.00 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 1c20 h PHE 10 Cb 0.48 0.27 -0.00 0.00 2.79 0.00 0.00 35.95 39.49 1c20 h PHE 10 CO 0.00 -0.49 -0.00 1.57 -2.23 0.00 0.00 178.31 177.16 1c20 h LYS 11 N -1.20 0.00 0.00 1.11 2.10 -1.41 0.16 116.57 117.34 1c20 h LYS 11 Ca -0.09 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.55 1c20 h LYS 11 Cb 0.70 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.02 1c20 h LYS 11 CO 0.15 0.00 -0.06 1.96 -2.00 0.00 0.00 179.45 179.50 1c20 h GLN 12 N 0.00 0.00 -0.19 0.07 4.20 -1.34 -0.93 115.11 116.91 1c20 h GLN 12 Ca -0.00 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.50 1c20 h GLN 12 Cb 0.00 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.79 1c20 h GLN 12 CO 0.00 0.06 -0.69 0.28 -0.67 0.00 0.00 178.83 177.81 1c20 h VAL 13 N 0.00 1.28 -0.31 -0.54 2.07 -0.36 -2.98 116.25 115.42 1c20 h VAL 13 Ca -0.00 -1.90 0.06 0.00 0.82 0.00 0.00 66.70 65.68 1c20 h VAL 13 Cb 0.15 1.86 -0.05 0.00 -1.52 0.00 0.00 31.29 31.73 1c20 h VAL 13 CO 0.01 0.61 -0.04 -0.09 0.02 0.00 0.00 177.57 178.07 1c20 h ARG 14 N 0.56 0.04 0.00 1.57 2.43 -1.11 0.15 114.38 118.02 1c20 h ARG 14 Ca -0.03 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1c20 h ARG 14 Cb 1.31 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.85 1c20 h ARG 14 CO 0.14 0.02 -0.00 -0.56 -1.51 0.00 0.00 179.97 178.07 1c20 h GLN 15 N 0.04 0.00 0.00 0.20 3.07 -1.53 0.17 115.11 117.05 1c20 h GLN 15 Ca 0.15 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.84 1c20 h GLN 15 Cb 0.22 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.77 1c20 h GLN 15 CO -0.29 0.00 -0.23 -0.07 0.09 0.00 0.00 178.83 178.34 1c20 h LEU 16 N 0.00 0.00 0.15 0.06 3.38 -0.57 -2.85 115.31 115.48 1c20 h LEU 16 Ca -0.00 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.63 1c20 h LEU 16 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1c20 h LEU 16 CO 0.00 0.23 -1.74 1.88 0.09 0.00 0.00 178.44 178.90 1c20 h TYR 17 N 0.00 0.56 0.00 1.13 0.05 0.01 -3.31 116.97 115.42 1c20 h TYR 17 Ca -0.00 -0.41 0.00 0.00 0.05 0.00 0.00 58.73 58.37 1c20 h TYR 17 Cb 0.60 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.32 1c20 h TYR 17 CO 0.00 1.58 0.00 0.39 -1.05 0.00 0.00 178.16 179.08 1c20 n GLU 18 N -3.50 0.59 -0.30 4.88 1.02 -0.26 -3.53 120.64 119.53 1c20 n GLU 18 Ca -0.23 0.00 0.17 0.00 -0.02 0.00 0.00 57.16 57.08 1c20 n GLU 18 Cb 1.06 -1.46 0.43 0.00 -0.02 0.00 0.00 31.44 31.45 1c20 n GLU 18 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1c20 h ILE 19 N 0.00 0.67 -1.96 -3.67 2.04 -1.60 -3.45 117.51 109.54 1c20 h ILE 19 Ca 0.00 -0.19 0.26 0.00 1.00 0.00 0.00 64.86 65.93 1c20 h ILE 19 Cb 0.00 0.05 -0.09 0.00 -0.74 0.00 0.00 36.82 36.05 1c20 h ILE 19 CO 0.00 0.10 0.71 0.21 0.00 0.00 0.00 178.15 179.17 1c20 s ASN 20 N -5.49 -0.07 -0.08 1.72 3.84 -1.23 -5.00 114.94 108.64 1c20 s ASN 20 Ca -0.10 -0.31 0.10 0.00 0.21 0.00 0.00 52.86 52.77 1c20 s ASN 20 Cb 0.24 0.30 0.43 0.00 -0.55 0.00 0.00 41.25 41.67 1c20 s ASN 20 CO 0.79 -0.57 1.25 -0.90 -2.79 0.00 0.00 177.10 174.89 1c20 n ASP 21 N -0.70 3.06 -4.58 -4.21 5.75 -1.26 -4.92 116.55 109.69 1c20 n ASP 21 Ca -0.05 -2.30 -0.48 0.00 -0.01 0.00 0.00 54.79 51.95 1c20 n ASP 21 Cb 0.61 -0.46 -0.05 0.00 -1.03 0.00 0.00 41.12 40.19 1c20 n ASP 21 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1c20 n ASP 22 N 0.52 2.92 -0.15 -1.12 -0.08 -1.26 -4.83 116.55 112.54 1c20 n ASP 22 Ca 0.15 0.58 -0.02 0.00 -1.51 0.00 0.00 54.79 53.99 1c20 n ASP 22 Cb 0.60 -1.38 0.20 0.00 2.34 0.00 0.00 41.12 42.89 1c20 n ASP 22 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1c20 h PRO 23 N 11.81 0.88 -0.01 -0.67 0.14 -1.99 -2.29 132.00 139.88 1c20 h PRO 23 Ca -0.39 -0.14 0.00 0.00 0.14 0.00 0.00 66.00 65.61 1c20 h PRO 23 Cb 1.28 -0.15 -0.00 0.00 0.14 0.00 0.00 31.00 32.27 1c20 h PRO 23 CO 0.98 0.73 0.00 -0.22 0.14 0.00 0.00 178.00 179.63 1c20 h LYS 24 N 0.86 0.01 -0.28 0.86 3.64 -1.98 0.25 116.57 119.93 1c20 h LYS 24 Ca 0.20 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 1c20 h LYS 24 Cb 0.19 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 1c20 h LYS 24 CO -0.02 0.00 0.18 -0.09 -2.27 0.00 0.00 179.45 177.26 1c20 h ARG 25 N 0.01 0.36 -0.42 1.90 2.43 -1.91 0.20 114.38 116.95 1c20 h ARG 25 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1c20 h ARG 25 Cb 0.00 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.45 1c20 h ARG 25 CO -0.00 0.25 0.28 -0.22 -1.51 0.00 0.00 179.97 178.77 1c20 h LYS 26 N 0.37 0.56 -0.65 0.20 3.64 -1.13 -0.41 116.57 119.15 1c20 h LYS 26 Ca 0.10 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.40 1c20 h LYS 26 Cb -0.03 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.63 1c20 h LYS 26 CO -0.02 0.37 0.22 1.49 -2.27 0.00 0.00 179.45 179.24 1c20 h GLU 27 N 0.57 0.99 0.00 1.90 4.81 -0.11 -2.09 114.58 120.65 1c20 h GLU 27 Ca 0.15 -0.20 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1c20 h GLU 27 Cb -0.07 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.17 1c20 h GLU 27 CO -0.03 0.85 -0.00 0.35 -0.73 0.00 0.00 179.01 179.45 1c20 h PHE 28 N 0.92 -0.00 -0.26 0.92 3.04 -0.10 -1.43 116.94 120.03 1c20 h PHE 28 Ca 0.21 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.16 1c20 h PHE 28 Cb 0.26 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.76 1c20 h PHE 28 CO 0.02 0.18 0.17 -0.07 -2.02 0.00 0.00 178.31 176.59 1c20 h LEU 29 N -0.19 0.30 -1.17 0.59 3.38 -1.02 0.32 115.31 117.53 1c20 h LEU 29 Ca -0.00 -0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.04 1c20 h LEU 29 Cb 0.19 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 40.80 1c20 h LEU 29 CO 0.00 0.22 0.58 -0.78 0.09 0.00 0.00 178.44 178.55 1c20 h ASP 30 N 0.35 0.87 0.14 -0.43 1.82 -1.33 0.20 116.42 118.03 1c20 h ASP 30 Ca 0.10 0.01 -0.01 0.00 -0.39 0.00 0.00 57.03 56.74 1c20 h ASP 30 Cb -0.04 -0.17 0.00 0.00 0.68 0.00 0.00 39.33 39.80 1c20 h ASP 30 CO -0.02 0.54 -0.06 0.44 -1.61 0.00 0.00 179.24 178.53 1c20 h ASP 31 N 0.97 -0.15 0.15 2.28 5.19 -0.11 -1.86 116.42 122.89 1c20 h ASP 31 Ca 0.40 -0.37 -0.01 0.00 -0.62 0.00 0.00 57.03 56.42 1c20 h ASP 31 Cb 0.27 0.04 0.00 0.00 0.18 0.00 0.00 39.33 39.82 1c20 h ASP 31 CO -0.16 0.34 -0.07 0.25 -3.12 0.00 0.00 179.24 176.48 1c20 h LEU 32 N -0.71 -0.17 -1.26 1.55 5.85 -0.02 -2.06 115.31 118.48 1c20 h LEU 32 Ca -0.02 0.01 0.09 0.00 0.84 0.00 0.00 57.88 58.79 1c20 h LEU 32 Cb 0.52 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.54 1c20 h LEU 32 CO 0.03 -0.12 0.54 -0.26 -0.34 0.00 0.00 178.44 178.29 1c20 h PHE 33 N -0.20 0.89 0.08 1.25 0.04 -0.70 -2.43 116.94 115.86 1c20 h PHE 33 Ca -0.02 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 1c20 h PHE 33 Cb 0.16 -0.29 0.00 0.00 2.20 0.00 0.00 35.95 38.02 1c20 h PHE 33 CO -0.07 0.43 -0.04 0.77 -0.60 0.00 0.00 178.31 178.80 1c20 h SER 34 N 0.84 -0.09 0.52 2.17 0.02 -0.66 0.79 113.55 117.15 1c20 h SER 34 Ca 0.38 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.31 1c20 h SER 34 Cb 0.36 0.02 -0.00 0.00 0.14 0.00 0.00 62.40 62.92 1c20 h SER 34 CO -0.15 -0.06 -0.32 0.15 -1.14 0.00 0.00 176.83 175.31 1c20 h PHE 35 N -0.10 -0.84 0.00 3.45 3.04 -0.95 -1.30 116.94 120.24 1c20 h PHE 35 Ca -0.01 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.93 1c20 h PHE 35 Cb 0.08 0.30 0.00 0.00 2.56 0.00 0.00 35.95 38.89 1c20 h PHE 35 CO -0.07 -0.49 0.00 0.00 -2.02 0.00 0.00 178.31 175.73 1c20 n MET 36 N -5.46 0.07 0.02 1.11 0.00 -1.06 -2.64 117.12 109.16 1c20 n MET 36 Ca -0.12 0.43 0.01 0.00 0.00 0.00 0.00 57.70 58.02 1c20 n MET 36 Cb 0.35 -1.67 0.05 0.00 0.00 0.00 0.00 33.22 31.95 1c20 n MET 36 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 175.97 176.91 1c20 n GLN 37 N -1.81 0.01 0.30 3.17 7.27 0.27 -2.25 117.38 124.34 1c20 n GLN 37 Ca 0.01 0.41 0.07 0.00 0.07 0.00 0.00 57.00 57.56 1c20 n GLN 37 Cb 0.11 -1.66 0.35 0.00 2.41 0.00 0.00 30.24 31.46 1c20 n GLN 37 CO 0.00 0.00 0.00 -0.22 0.07 0.00 0.00 177.06 176.91 1c20 h LYS 38 N 0.00 0.00 0.00 3.69 3.64 -1.67 1.13 116.57 123.37 1c20 h LYS 38 Ca 0.00 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 59.13 1c20 h LYS 38 Cb 0.23 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.00 1c20 h LYS 38 CO 0.00 0.00 -1.95 0.54 -2.27 0.00 0.00 179.45 175.77 1c20 n ARG 39 N -2.54 1.65 0.00 1.90 1.74 -0.95 -5.01 116.66 113.45 1c20 n ARG 39 Ca -0.01 -0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 1c20 n ARG 39 Cb 0.67 -1.36 0.00 0.00 -1.02 0.00 0.00 32.46 30.75 1c20 n ARG 39 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1c20 n GLY 40 N 2.11 0.30 3.65 -0.13 0.00 0.39 -5.07 105.19 106.45 1c20 n GLY 40 Ca -0.22 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.54 1c20 n GLY 40 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1c20 s THR 41 N -2.10 3.66 0.00 2.61 -4.23 -1.26 -5.01 115.64 109.31 1c20 s THR 41 Ca 0.00 -1.48 0.00 0.00 -1.18 0.00 0.00 61.69 59.03 1c20 s THR 41 Cb 0.00 -2.85 0.00 0.00 1.34 0.00 0.00 72.50 70.99 1c20 s THR 41 CO 0.00 -0.13 0.00 -0.81 -0.54 0.00 0.00 174.62 173.14 1c20 n PRO 42 N -0.16 2.06 0.00 3.99 -0.04 -1.26 -4.76 135.00 134.83 1c20 n PRO 42 Ca -0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 1c20 n PRO 42 Cb 0.55 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.01 1c20 n PRO 42 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 1c20 n ILE 43 N -0.34 0.00 -0.08 0.52 0.13 -1.26 -4.98 119.36 113.35 1c20 n ILE 43 Ca 0.00 0.00 -0.12 0.00 -1.10 0.00 0.00 62.75 61.53 1c20 n ILE 43 Cb 0.00 0.00 -0.09 0.00 -0.84 0.00 0.00 39.64 38.71 1c20 n ILE 43 CO 0.00 0.00 0.00 -1.13 2.80 0.00 0.00 176.55 178.22 1c20 h ASN 44 N 0.00 0.00 -5.08 9.51 -0.73 -1.94 -3.49 115.58 113.85 1c20 h ASN 44 Ca 0.00 -0.55 -0.07 0.00 1.87 0.00 0.00 56.30 57.55 1c20 h ASN 44 Cb 0.00 0.00 -0.14 0.00 0.27 0.00 0.00 38.32 38.45 1c20 h ASN 44 CO 0.00 1.01 -0.14 -0.13 -0.37 0.00 0.00 177.43 177.80 1c20 s ARG 45 N -2.13 0.98 -0.54 6.67 0.52 -1.26 -5.10 118.95 118.08 1c20 s ARG 45 Ca -0.18 -0.66 0.05 0.00 -0.52 0.00 0.00 55.73 54.42 1c20 s ARG 45 Cb 0.01 0.43 0.17 0.00 0.52 0.00 0.00 34.95 36.07 1c20 s ARG 45 CO 0.47 -0.36 0.42 1.28 0.02 0.00 0.00 175.30 177.13 1c20 n LEU 46 N 0.03 1.10 -4.77 2.53 4.77 -1.26 -5.11 117.00 114.29 1c20 n LEU 46 Ca -0.17 -4.76 -0.40 0.00 -0.03 0.00 0.00 56.01 50.65 1c20 n LEU 46 Cb 0.62 -0.03 -0.01 0.00 -2.33 0.00 0.00 43.42 41.68 1c20 n LEU 46 CO 0.19 1.82 1.03 -2.84 -1.33 0.00 0.00 177.39 176.27 1c20 s PRO 47 N -0.66 4.10 -0.25 3.23 0.02 -1.26 -4.86 135.00 135.32 1c20 s PRO 47 Ca 0.30 2.34 -0.19 0.00 0.02 0.00 0.00 61.00 63.46 1c20 s PRO 47 Cb 0.01 -2.91 -0.02 0.00 0.02 0.00 0.00 34.50 31.59 1c20 s PRO 47 CO -0.18 -0.44 0.57 0.42 -0.33 0.00 0.00 177.00 177.03 1c20 s ILE 48 N -1.17 5.04 -0.89 2.83 -1.09 -1.26 -2.84 121.20 121.81 1c20 s ILE 48 Ca 0.53 1.00 -0.24 0.00 -2.23 0.00 0.00 60.65 59.71 1c20 s ILE 48 Cb -0.42 -3.88 0.00 0.00 -1.58 0.00 0.00 42.46 36.59 1c20 s ILE 48 CO 0.55 0.07 1.66 -0.04 -1.23 0.00 0.00 174.94 175.96 1c20 s MET 49 N 2.31 3.04 1.04 2.79 -1.94 0.35 -4.75 119.30 122.14 1c20 s MET 49 Ca 0.24 -0.50 0.00 0.00 -1.71 0.00 0.00 55.69 53.72 1c20 s MET 49 Cb -0.16 -4.99 0.00 0.00 2.01 0.00 0.00 34.83 31.70 1c20 s MET 49 CO 0.09 -2.70 0.00 0.00 -0.01 0.00 0.00 175.02 172.40 1c20 n ALA 50 N 11.31 0.00 -0.01 3.03 0.00 -1.26 0.11 120.51 133.70 1c20 n ALA 50 Ca 0.30 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.79 1c20 n ALA 50 Cb 0.49 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.86 1c20 n ALA 50 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1c20 n LYS 51 N 0.00 0.33 -2.90 0.00 4.81 -1.26 -5.02 118.16 114.12 1c20 n LYS 51 Ca 0.00 -0.09 -0.20 0.00 -0.87 0.00 0.00 58.31 57.15 1c20 n LYS 51 Cb 0.00 -1.24 0.06 0.00 0.02 0.00 0.00 35.03 33.87 1c20 n LYS 51 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 1c20 s SER 52 N -3.18 5.03 0.08 3.14 0.01 0.31 -5.12 113.70 113.97 1c20 s SER 52 Ca -0.04 -0.60 0.09 0.00 1.31 0.00 0.00 55.95 56.71 1c20 s SER 52 Cb 0.06 -0.02 -0.04 0.00 0.21 0.00 0.00 66.02 66.24 1c20 s SER 52 CO 0.42 -1.35 -0.22 -0.69 0.41 0.00 0.00 173.24 171.81 1c20 s VAL 53 N -2.73 2.51 -0.61 3.43 1.01 -1.26 0.13 120.40 122.88 1c20 s VAL 53 Ca 0.61 -1.45 -0.26 0.00 0.00 0.00 0.00 61.98 60.88 1c20 s VAL 53 Cb -0.07 -2.08 -0.07 0.00 0.00 0.00 0.00 36.38 34.17 1c20 s VAL 53 CO 0.39 0.23 2.25 -0.22 0.00 0.00 0.00 175.10 177.75 1c20 s LEU 54 N -1.70 3.26 -0.54 3.92 2.96 -1.13 -4.76 118.68 120.68 1c20 s LEU 54 Ca 0.15 0.57 -0.27 0.00 -0.22 0.00 0.00 54.13 54.36 1c20 s LEU 54 Cb -0.10 -2.52 -0.03 0.00 0.50 0.00 0.00 46.19 44.04 1c20 s LEU 54 CO 0.06 -2.95 1.96 -0.62 -1.32 0.00 0.00 176.35 173.47 1c20 s ASP 55 N 10.70 5.21 0.43 3.68 -1.08 -1.26 -4.79 116.67 129.56 1c20 s ASP 55 Ca 0.87 0.64 0.18 0.00 -0.52 0.00 0.00 52.55 53.73 1c20 s ASP 55 Cb -0.14 -2.52 1.12 0.00 -1.46 0.00 0.00 42.92 39.91 1c20 s ASP 55 CO 0.19 -2.36 1.88 -0.07 0.52 0.00 0.00 175.17 175.33 1c20 h LEU 56 N 16.57 0.36 -1.00 -1.34 3.38 -1.99 0.11 115.31 131.40 1c20 h LEU 56 Ca -0.27 0.03 0.23 0.00 0.09 0.00 0.00 57.88 57.96 1c20 h LEU 56 Cb 1.18 -0.04 -0.12 0.00 0.09 0.00 0.00 40.66 41.78 1c20 h LEU 56 CO 1.18 0.15 0.60 0.22 0.09 0.00 0.00 178.44 180.68 1c20 h TYR 57 N 0.36 1.03 -0.61 1.13 5.03 -2.00 0.95 116.97 122.86 1c20 h TYR 57 Ca 0.43 0.04 -0.10 0.00 2.58 0.00 0.00 58.73 61.68 1c20 h TYR 57 Cb 1.12 -0.30 -0.02 0.00 1.55 0.00 0.00 36.73 39.08 1c20 h TYR 57 CO -0.00 0.11 -0.01 1.49 -1.32 0.00 0.00 178.16 178.43 1c20 h GLU 58 N 0.63 1.08 -0.77 1.82 4.81 -1.15 -0.95 114.58 120.05 1c20 h GLU 58 Ca 0.63 -0.35 0.13 0.00 -0.13 0.00 0.00 59.36 59.64 1c20 h GLU 58 Cb 1.13 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 30.36 1c20 h GLU 58 CO -0.45 1.06 0.51 1.25 -0.73 0.00 0.00 179.01 180.64 1c20 h LEU 59 N 0.98 0.48 0.07 1.64 5.85 -0.86 -0.74 115.31 122.73 1c20 h LEU 59 Ca 0.17 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.91 1c20 h LEU 59 Cb 0.58 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.53 1c20 h LEU 59 CO 0.03 0.26 -0.03 0.22 -0.34 0.00 0.00 178.44 178.58 1c20 h TYR 60 N 0.52 -0.09 -0.99 1.25 3.20 -1.16 -2.76 116.97 116.94 1c20 h TYR 60 Ca 0.37 -0.00 0.25 0.00 3.14 0.00 0.00 58.73 62.48 1c20 h TYR 60 Cb 0.72 0.03 -0.13 0.00 1.54 0.00 0.00 36.73 38.89 1c20 h TYR 60 CO -0.00 0.10 0.58 -2.95 -1.64 0.00 0.00 178.16 174.25 1c20 h ASN 61 N -1.01 0.64 0.24 -2.11 -1.07 -0.95 -0.54 115.58 110.79 1c20 h ASN 61 Ca -0.01 0.14 -0.01 0.00 0.07 0.00 0.00 56.30 56.49 1c20 h ASN 61 Cb 0.23 0.04 0.00 0.00 -2.07 0.00 0.00 38.32 36.52 1c20 h ASN 61 CO 0.02 0.09 -0.12 -0.07 0.07 0.00 0.00 177.43 177.42 1c20 h LEU 62 N 0.56 -0.28 0.15 6.14 3.38 -1.24 0.67 115.31 124.69 1c20 h LEU 62 Ca 0.64 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 58.43 1c20 h LEU 62 Cb 1.22 0.07 -0.05 0.00 0.09 0.00 0.00 40.66 42.00 1c20 h LEU 62 CO -0.48 0.05 -0.51 0.58 0.09 0.00 0.00 178.44 178.17 1c20 h VAL 63 N -0.63 0.03 -1.00 1.22 2.07 -0.83 -1.72 116.25 115.38 1c20 h VAL 63 Ca -0.03 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.50 1c20 h VAL 63 Cb 0.45 0.03 -0.05 0.00 -1.52 0.00 0.00 31.29 30.20 1c20 h VAL 63 CO 0.06 0.00 0.66 0.40 0.02 0.00 0.00 177.57 178.71 1c20 h ILE 64 N -0.76 1.25 0.00 4.57 1.08 -1.30 0.13 117.51 122.48 1c20 h ILE 64 Ca -0.01 -0.46 0.00 0.00 -0.39 0.00 0.00 64.86 64.00 1c20 h ILE 64 Cb 0.76 -0.22 0.00 0.00 -3.07 0.00 0.00 36.82 34.30 1c20 h ILE 64 CO -0.26 0.25 0.14 0.00 -0.69 0.00 0.00 178.15 177.58 1c20 n ALA 65 N -2.38 0.81 -0.09 1.87 0.00 0.23 -1.09 120.51 119.87 1c20 n ALA 65 Ca 0.12 0.10 -0.16 0.00 0.00 0.00 0.00 53.44 53.50 1c20 n ALA 65 Cb 0.01 -0.95 -0.13 0.00 0.00 0.00 0.00 19.45 18.38 1c20 n ALA 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1c20 n ARG 66 N -1.88 0.68 0.00 0.00 5.12 0.01 -4.99 116.66 115.61 1c20 n ARG 66 Ca -0.01 0.16 0.00 0.00 -1.93 0.00 0.00 57.85 56.07 1c20 n ARG 66 Cb 0.15 -1.58 0.00 0.00 -1.16 0.00 0.00 32.46 29.87 1c20 n ARG 66 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1c20 n GLY 67 N 2.05 0.33 0.00 -0.13 0.00 -0.25 -4.97 105.19 102.21 1c20 n GLY 67 Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1c20 n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1c20 n GLY 68 N 0.00 4.32 0.13 -0.02 0.00 -1.16 -4.69 105.19 103.77 1c20 n GLY 68 Ca 0.00 -1.47 -0.07 0.00 0.00 0.00 0.00 46.02 44.48 1c20 n GLY 68 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1c20 h LEU 69 N 0.00 -0.03 -1.19 0.99 5.85 -1.97 0.25 115.31 119.21 1c20 h LEU 69 Ca 0.00 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.78 1c20 h LEU 69 Cb 0.00 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 1c20 h LEU 69 CO 0.00 0.02 0.54 0.58 -0.34 0.00 0.00 178.44 179.24 1c20 h VAL 70 N 0.13 1.21 -0.17 1.05 2.07 -1.98 0.36 116.25 118.93 1c20 h VAL 70 Ca 0.13 -0.39 -0.04 0.00 0.82 0.00 0.00 66.70 67.22 1c20 h VAL 70 Cb 0.15 -0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.90 1c20 h VAL 70 CO -0.19 0.20 -0.08 0.44 0.02 0.00 0.00 177.57 177.96 1c20 h ASP 71 N 1.12 0.25 -0.11 0.57 3.32 -1.46 -1.10 116.42 119.01 1c20 h ASP 71 Ca 0.30 -0.04 -0.21 0.00 0.02 0.00 0.00 57.03 57.10 1c20 h ASP 71 Cb -0.13 -0.07 0.01 0.00 0.22 0.00 0.00 39.33 39.37 1c20 h ASP 71 CO -0.06 0.37 -0.75 0.58 -1.72 0.00 0.00 179.24 177.66 1c20 h VAL 72 N 0.26 1.30 0.14 -1.35 2.07 0.97 -2.35 116.25 117.29 1c20 h VAL 72 Ca 0.06 -1.98 -0.01 0.00 0.82 0.00 0.00 66.70 65.59 1c20 h VAL 72 Cb 0.32 2.12 0.00 0.00 -1.52 0.00 0.00 31.29 32.21 1c20 h VAL 72 CO 0.02 0.62 -0.07 0.40 0.02 0.00 0.00 177.57 178.56 1c20 h ILE 73 N 0.40 1.02 -0.94 4.57 2.04 -0.80 0.23 117.51 124.03 1c20 h ILE 73 Ca -0.06 -0.99 0.01 0.00 1.00 0.00 0.00 64.86 64.81 1c20 h ILE 73 Cb 1.39 1.61 -0.05 0.00 -0.74 0.00 0.00 36.82 39.03 1c20 h ILE 73 CO 0.15 0.22 0.62 -1.13 0.00 0.00 0.00 178.15 178.02 1c20 h ASN 74 N -0.68 1.08 0.77 1.72 -1.24 -1.34 0.14 115.58 116.03 1c20 h ASN 74 Ca -0.02 -0.03 0.00 0.00 0.71 0.00 0.00 56.30 56.96 1c20 h ASN 74 Cb 0.51 -0.27 0.00 0.00 0.73 0.00 0.00 38.32 39.29 1c20 h ASN 74 CO 0.03 0.78 0.00 0.29 -1.29 0.00 0.00 177.43 177.24 1c20 n LYS 75 N -4.43 0.23 -3.86 6.67 4.76 -0.88 -4.80 118.16 115.85 1c20 n LYS 75 Ca 0.11 0.00 -0.26 0.00 -2.87 0.00 0.00 58.31 55.29 1c20 n LYS 75 Cb 0.01 -1.50 0.01 0.00 -1.84 0.00 0.00 35.03 31.71 1c20 n LYS 75 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1c20 n LYS 76 N -1.39 -4.49 -0.32 1.97 4.81 0.59 -4.83 118.16 114.50 1c20 n LYS 76 Ca 0.11 0.54 0.06 0.00 -0.87 0.00 0.00 58.31 58.15 1c20 n LYS 76 Cb 0.29 -5.07 0.21 0.00 0.02 0.00 0.00 35.03 30.48 1c20 n LYS 76 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1c20 n LEU 77 N -4.41 2.83 0.18 3.14 4.77 0.03 -4.28 117.00 119.25 1c20 n LEU 77 Ca -0.20 -1.42 0.17 0.00 -0.03 0.00 0.00 56.01 54.53 1c20 n LEU 77 Cb 0.63 -0.39 0.67 0.00 -2.33 0.00 0.00 43.42 42.00 1c20 n LEU 77 CO 0.73 0.57 1.15 -0.50 -1.33 0.00 0.00 177.39 178.01 1c20 h TRP 78 N 2.59 0.00 -0.95 -1.77 4.06 -1.88 0.32 115.95 118.32 1c20 h TRP 78 Ca 0.00 0.00 0.01 0.00 2.06 0.00 0.00 58.89 60.96 1c20 h TRP 78 Cb 0.82 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 28.94 1c20 h TRP 78 CO 0.40 0.00 0.63 0.37 -3.56 0.00 0.00 178.44 176.28 1c20 h GLN 79 N 0.00 1.25 0.09 0.49 5.75 -1.96 0.22 115.11 120.96 1c20 h GLN 79 Ca 0.13 -0.08 -0.00 0.00 -0.15 0.00 0.00 58.65 58.55 1c20 h GLN 79 Cb 1.21 -0.28 0.00 0.00 1.07 0.00 0.00 27.48 29.47 1c20 h GLN 79 CO -0.00 0.83 -0.04 0.93 -2.65 0.00 0.00 178.83 177.89 1c20 h GLU 80 N 1.29 -0.12 -0.26 1.69 5.08 -0.71 1.12 114.58 122.67 1c20 h GLU 80 Ca 0.35 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 1c20 h GLU 80 Cb -0.15 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 1c20 h GLU 80 CO -0.08 -0.03 0.17 0.82 -1.00 0.00 0.00 179.01 178.90 1c20 h ILE 81 N -0.18 1.07 -0.67 3.13 2.04 -1.56 0.06 117.51 121.40 1c20 h ILE 81 Ca -0.01 -0.14 -0.01 0.00 1.00 0.00 0.00 64.86 65.70 1c20 h ILE 81 Cb 0.14 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 1c20 h ILE 81 CO 0.02 0.07 0.40 0.40 0.00 0.00 0.00 178.15 179.04 1c20 h ILE 82 N 0.35 1.20 -0.14 -0.67 2.04 -0.67 0.55 117.51 120.16 1c20 h ILE 82 Ca 0.10 -0.45 0.00 0.00 1.00 0.00 0.00 64.86 65.51 1c20 h ILE 82 Cb -0.03 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 36.32 1c20 h ILE 82 CO -0.02 0.21 0.09 0.50 0.00 0.00 0.00 178.15 178.93 1c20 h LYS 83 N 0.91 0.18 0.00 2.37 3.64 0.19 -2.77 116.57 121.11 1c20 h LYS 83 Ca 0.24 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.61 1c20 h LYS 83 Cb -0.02 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 1c20 h LYS 83 CO -0.04 0.12 -0.00 0.78 -2.27 0.00 0.00 179.45 178.04 1c20 h GLY 84 N 0.19 -0.00 -4.74 5.01 0.00 -0.66 -3.11 103.07 99.75 1c20 h GLY 84 Ca 0.05 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.84 1c20 h GLY 84 CO -0.01 -0.00 2.64 1.04 0.00 0.00 0.00 176.54 180.21 1c20 n LEU 85 N -4.92 7.78 -4.09 3.11 7.99 0.19 -4.94 117.00 122.12 1c20 n LEU 85 Ca -0.08 -4.06 -0.56 0.00 -0.01 0.00 0.00 56.01 51.31 1c20 n LEU 85 Cb 0.19 -1.51 -0.08 0.00 -0.11 0.00 0.00 43.42 41.90 1c20 n LEU 85 CO 0.33 1.97 0.73 1.41 -1.51 0.00 0.00 177.39 180.32 1c20 n HIS 86 N 3.22 0.99 -2.12 -1.77 8.25 -1.06 -4.77 115.22 117.95 1c20 n HIS 86 Ca 0.69 0.98 -0.36 0.00 -0.26 0.00 0.00 57.72 58.76 1c20 n HIS 86 Cb 0.42 -1.91 0.02 0.00 1.12 0.00 0.00 29.99 29.64 1c20 n HIS 86 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1c20 s LEU 87 N 1.13 3.75 0.01 2.41 1.02 -1.26 -4.96 118.68 120.77 1c20 s LEU 87 Ca 0.86 2.32 -0.03 0.00 0.02 0.00 0.00 54.13 57.30 1c20 s LEU 87 Cb -1.21 -4.54 -0.01 0.00 0.02 0.00 0.00 46.19 40.44 1c20 s LEU 87 CO 0.60 -1.38 1.04 1.55 0.02 0.00 0.00 176.35 178.19 1c20 h PRO 88 N 1.16 -0.07 0.00 1.29 0.13 -1.92 -3.45 132.00 129.14 1c20 h PRO 88 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1c20 h PRO 88 Cb 1.28 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1c20 h PRO 88 CO 0.56 -0.05 0.00 0.45 -0.23 0.00 0.00 178.00 178.74 1c20 n SER 89 N -2.57 0.00 0.00 1.44 2.88 -1.26 -5.02 113.62 109.09 1c20 n SER 89 Ca -0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 1c20 n SER 89 Cb 0.04 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.50 1c20 n SER 89 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1c20 n SER 90 N 0.00 0.00 -4.15 -3.46 7.64 -1.26 -5.01 113.62 107.38 1c20 n SER 90 Ca 0.00 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.56 1c20 n SER 90 Cb 0.00 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.12 1c20 n SER 90 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1c20 n ILE 91 N -0.95 1.17 -0.41 0.44 5.41 -1.26 -4.69 119.36 119.07 1c20 n ILE 91 Ca 0.00 -1.14 0.00 0.00 1.00 0.00 0.00 62.75 62.61 1c20 n ILE 91 Cb 0.00 -2.14 0.00 0.00 -0.71 0.00 0.00 39.64 36.79 1c20 n ILE 91 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1c20 n THR 92 N 7.48 1.93 -2.71 1.39 -2.24 -1.26 -3.62 114.28 115.26 1c20 n THR 92 Ca 0.46 -0.47 -0.03 0.00 -2.27 0.00 0.00 64.05 61.74 1c20 n THR 92 Cb 0.44 -1.47 0.11 0.00 -2.10 0.00 0.00 70.33 67.31 1c20 n THR 92 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1c20 n SER 93 N 1.44 -0.78 -0.11 3.42 2.88 -1.26 -4.96 113.62 114.25 1c20 n SER 93 Ca 0.00 -2.26 -0.14 0.00 -1.33 0.00 0.00 58.87 55.15 1c20 n SER 93 Cb 0.50 0.45 -0.03 0.00 -0.75 0.00 0.00 64.21 64.38 1c20 n SER 93 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1c20 h ALA 94 N 1.62 0.53 -0.60 -1.46 0.00 -1.98 -2.14 119.26 115.22 1c20 h ALA 94 Ca -0.34 -0.48 0.09 0.00 0.00 0.00 0.00 54.91 54.19 1c20 h ALA 94 Cb 1.29 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.90 1c20 h ALA 94 CO -0.05 0.68 0.24 0.00 0.00 0.00 0.00 179.25 180.11 1c20 h ALA 95 N 0.74 0.78 -0.37 0.00 0.00 -1.92 0.40 119.26 118.88 1c20 h ALA 95 Ca 0.05 0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.87 1c20 h ALA 95 Cb 1.04 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1c20 h ALA 95 CO 0.10 -0.17 -0.41 0.35 0.00 0.00 0.00 179.25 179.12 1c20 h PHE 96 N 0.43 1.13 -0.43 0.00 3.57 -1.95 -2.45 116.94 117.24 1c20 h PHE 96 Ca 0.30 -0.35 -0.08 0.00 3.53 0.00 0.00 57.97 61.37 1c20 h PHE 96 Cb 0.35 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 1c20 h PHE 96 CO -0.16 1.18 -0.06 1.15 -2.23 0.00 0.00 178.31 178.20 1c20 h THR 97 N 0.76 1.27 0.08 4.41 2.02 -0.59 -2.54 112.91 118.32 1c20 h THR 97 Ca 0.05 -1.14 -0.00 0.00 0.77 0.00 0.00 66.41 66.10 1c20 h THR 97 Cb 1.01 1.14 0.00 0.00 -1.74 0.00 0.00 68.15 68.56 1c20 h THR 97 CO 0.10 0.39 -0.04 -0.07 0.37 0.00 0.00 175.52 176.27 1c20 h LEU 98 N 0.62 -0.09 -1.01 2.58 3.38 -0.25 -2.04 115.31 118.50 1c20 h LEU 98 Ca 0.11 -0.33 0.01 0.00 0.09 0.00 0.00 57.88 57.77 1c20 h LEU 98 Cb 0.57 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.30 1c20 h LEU 98 CO 0.03 0.29 0.67 0.08 0.09 0.00 0.00 178.44 179.60 1c20 h ARG 99 N -0.49 1.33 -0.10 1.13 0.11 -1.49 -0.53 114.38 114.33 1c20 h ARG 99 Ca -0.01 -0.08 -0.06 0.00 0.10 0.00 0.00 59.98 59.93 1c20 h ARG 99 Cb 0.42 -0.30 -0.00 0.00 1.11 0.00 0.00 29.97 31.20 1c20 h ARG 99 CO 0.02 0.88 -0.17 0.00 0.10 0.00 0.00 179.97 180.80 1c20 h THR 100 N 1.37 1.38 -1.00 0.08 1.03 -1.47 -2.25 112.91 112.05 1c20 h THR 100 Ca 0.37 -1.42 0.01 0.00 -0.01 0.00 0.00 66.41 65.36 1c20 h THR 100 Cb -0.16 2.07 -0.05 0.00 -1.07 0.00 0.00 68.15 68.95 1c20 h THR 100 CO -0.08 0.41 0.66 1.56 -0.01 0.00 0.00 175.52 178.06 1c20 h GLN 101 N -0.14 1.32 0.42 0.00 4.20 -1.19 0.75 115.11 120.46 1c20 h GLN 101 Ca 0.01 -0.08 -0.02 0.00 0.06 0.00 0.00 58.65 58.62 1c20 h GLN 101 Cb 0.74 -0.30 0.00 0.00 0.30 0.00 0.00 27.48 28.22 1c20 h GLN 101 CO 0.04 0.88 -0.21 -0.92 -0.67 0.00 0.00 178.83 177.94 1c20 h TYR 102 N 1.36 -0.55 0.00 2.96 5.03 -1.04 -1.51 116.97 123.22 1c20 h TYR 102 Ca 0.37 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.66 1c20 h TYR 102 Cb -0.15 0.18 0.00 0.00 1.55 0.00 0.00 36.73 38.31 1c20 h TYR 102 CO 0.00 -0.34 0.00 0.52 -1.32 0.00 0.00 178.16 177.02 1c20 h MET 103 N -0.58 0.00 -0.61 1.82 2.86 -1.02 1.07 114.93 118.47 1c20 h MET 103 Ca -0.06 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.49 1c20 h MET 103 Cb 0.45 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.09 1c20 h MET 103 CO 0.09 0.00 -0.00 -0.22 1.06 0.00 0.00 176.91 177.83 1c20 h LYS 104 N 0.00 1.08 0.00 1.72 1.63 0.23 -3.40 116.57 117.83 1c20 h LYS 104 Ca 0.00 -0.34 0.00 0.00 -0.85 0.00 0.00 60.65 59.46 1c20 h LYS 104 Cb 0.22 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 31.75 1c20 h LYS 104 CO 0.00 1.05 -0.17 0.66 -3.45 0.00 0.00 179.45 177.55 1c20 n TYR 105 N -4.18 0.00 0.00 1.91 4.01 -0.98 -4.92 117.16 113.00 1c20 n TYR 105 Ca 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 1c20 n TYR 105 Cb 0.35 0.10 0.00 0.00 -0.31 0.00 0.00 39.34 39.48 1c20 n TYR 105 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1c20 n LEU 106 N 0.00 0.00 -0.06 7.72 4.77 0.36 -4.58 117.00 125.21 1c20 n LEU 106 Ca 0.00 -0.07 -0.07 0.00 -0.03 0.00 0.00 56.01 55.84 1c20 n LEU 106 Cb 0.57 0.00 0.11 0.00 -2.33 0.00 0.00 43.42 41.77 1c20 n LEU 106 CO 0.00 0.00 0.71 0.22 -1.33 0.00 0.00 177.39 176.99 1c20 h TYR 107 N 0.00 0.80 -0.11 -1.77 3.20 -1.58 0.14 116.97 117.64 1c20 h TYR 107 Ca 0.00 -0.18 -0.20 0.00 3.14 0.00 0.00 58.73 61.49 1c20 h TYR 107 Cb 0.00 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.08 1c20 h TYR 107 CO 0.00 0.87 -0.74 -1.00 -1.64 0.00 0.00 178.16 175.66 1c20 h PRO 108 N 0.62 0.55 0.17 1.82 0.14 -1.87 -2.81 132.00 130.62 1c20 h PRO 108 Ca 0.09 -0.44 -0.01 0.00 0.14 0.00 0.00 66.00 65.78 1c20 h PRO 108 Cb 0.72 0.09 0.00 0.00 0.14 0.00 0.00 31.00 31.95 1c20 h PRO 108 CO 0.06 1.07 -0.08 -0.92 0.14 0.00 0.00 178.00 178.26 1c20 h TYR 109 N 0.38 -0.22 -0.43 1.56 3.20 -1.77 -0.72 116.97 118.98 1c20 h TYR 109 Ca -0.04 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 61.91 1c20 h TYR 109 Cb 1.33 0.07 -0.08 0.00 1.54 0.00 0.00 36.73 39.59 1c20 h TYR 109 CO 0.06 0.16 -0.09 1.49 -1.64 0.00 0.00 178.16 178.13 1c20 h GLU 110 N -0.64 0.02 -0.92 1.82 4.81 -1.04 0.58 114.58 119.20 1c20 h GLU 110 Ca -0.02 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 1c20 h GLU 110 Cb 0.47 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.80 1c20 h GLU 110 CO 0.04 0.01 0.52 0.00 -0.73 0.00 0.00 179.01 178.84 1c20 h GLU 112 N 1.28 1.06 0.07 0.00 4.81 0.67 2.10 114.58 124.57 1c20 h GLU 112 Ca 0.32 -0.37 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1c20 h GLU 112 Cb 0.01 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.31 1c20 h GLU 112 CO -0.05 1.07 -0.03 0.87 -0.73 0.00 0.00 179.01 180.13 1c20 h LYS 113 N 0.95 -0.09 0.00 1.92 1.79 0.59 -3.39 116.57 118.34 1c20 h LYS 113 Ca 0.16 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.63 1c20 h LYS 113 Cb 0.64 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.31 1c20 h LYS 113 CO 0.04 0.23 0.00 1.63 -1.08 0.00 0.00 179.45 180.28 1c20 n LYS 114 N -4.98 2.81 -3.59 3.15 5.02 -0.51 -5.03 118.16 115.03 1c20 n LYS 114 Ca -0.08 -0.13 -0.23 0.00 -2.02 0.00 0.00 58.31 55.84 1c20 n LYS 114 Cb 0.20 -0.53 0.05 0.00 -0.02 0.00 0.00 35.03 34.72 1c20 n LYS 114 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1c20 n ASN 115 N -0.44 -3.85 -0.22 4.39 2.85 0.71 -4.86 115.26 113.84 1c20 n ASN 115 Ca 0.00 -0.86 -0.07 0.00 -0.11 0.00 0.00 54.58 53.53 1c20 n ASN 115 Cb 0.03 -4.10 0.06 0.00 1.24 0.00 0.00 39.78 37.01 1c20 n ASN 115 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 1c20 h LEU 116 N -1.70 1.02 0.00 1.20 3.38 -1.78 -3.48 115.31 113.97 1c20 h LEU 116 Ca -0.63 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.08 1c20 h LEU 116 Cb 1.35 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.82 1c20 h LEU 116 CO 0.51 1.03 0.01 -1.54 0.09 0.00 0.00 178.44 178.54 1c20 n SER 117 N -4.21 -0.11 -4.15 -0.43 3.41 -1.26 -5.08 113.62 101.80 1c20 n SER 117 Ca 0.04 -1.09 -0.12 0.00 -0.26 0.00 0.00 58.87 57.44 1c20 n SER 117 Cb 0.30 0.18 -0.10 0.00 -0.26 0.00 0.00 64.21 64.33 1c20 n SER 117 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1c20 s THR 118 N -2.80 0.72 0.63 6.66 -4.23 -1.26 -4.93 115.64 110.43 1c20 s THR 118 Ca 0.01 -1.71 0.25 0.00 -1.18 0.00 0.00 61.69 59.06 1c20 s THR 118 Cb -0.00 -1.41 0.31 0.00 1.34 0.00 0.00 72.50 72.74 1c20 s THR 118 CO 0.01 -0.71 1.66 -0.65 -0.54 0.00 0.00 174.62 174.39 1c20 h PRO 119 N 3.39 0.00 0.52 3.99 0.10 -2.01 -1.48 132.00 136.51 1c20 h PRO 119 Ca -0.36 0.00 -0.03 0.00 0.10 0.00 0.00 66.00 65.72 1c20 h PRO 119 Cb 1.18 0.00 0.01 0.00 0.10 0.00 0.00 31.00 32.28 1c20 h PRO 119 CO 0.57 0.00 -0.25 0.00 0.10 0.00 0.00 178.00 178.42 1c20 h ALA 120 N 1.03 -0.70 0.00 -0.75 0.00 -2.01 -2.87 119.26 113.95 1c20 h ALA 120 Ca 0.18 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1c20 h ALA 120 Cb 1.50 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.55 1c20 h ALA 120 CO -0.00 -0.65 -0.20 1.05 0.00 0.00 0.00 179.25 179.45 1c20 h GLU 121 N -1.18 0.00 -0.46 0.00 4.11 -1.82 -2.61 114.58 112.62 1c20 h GLU 121 Ca -0.07 0.00 0.01 0.00 0.07 0.00 0.00 59.36 59.36 1c20 h GLU 121 Cb 0.54 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 1c20 h GLU 121 CO 0.12 0.20 0.30 1.25 0.07 0.00 0.00 179.01 180.95 1c20 h LEU 122 N 0.00 0.52 -0.60 3.06 5.85 -1.31 -0.85 115.31 121.99 1c20 h LEU 122 Ca -0.00 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.71 1c20 h LEU 122 Cb 0.52 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 1c20 h LEU 122 CO 0.03 0.38 0.40 -0.61 -0.34 0.00 0.00 178.44 178.29 1c20 h GLN 123 N 0.62 0.79 -0.69 1.25 5.75 -1.23 0.13 115.11 121.72 1c20 h GLN 123 Ca 0.17 -0.05 0.03 0.00 -0.15 0.00 0.00 58.65 58.66 1c20 h GLN 123 Cb -0.07 -0.18 -0.04 0.00 1.07 0.00 0.00 27.48 28.27 1c20 h GLN 123 CO -0.04 0.52 0.46 0.00 -2.65 0.00 0.00 178.83 177.12 1c20 h ALA 124 N 1.22 1.61 -0.34 3.38 0.00 -1.36 0.98 119.26 124.75 1c20 h ALA 124 Ca 0.22 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 1c20 h ALA 124 Cb -0.09 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1c20 h ALA 124 CO -0.05 0.31 -0.11 0.00 0.00 0.00 0.00 179.25 179.41 1c20 h ALA 125 N 1.60 0.47 -0.32 0.00 0.00 0.31 0.93 119.26 122.24 1c20 h ALA 125 Ca 0.28 -0.31 -0.15 0.00 0.00 0.00 0.00 54.91 54.72 1c20 h ALA 125 Cb 0.07 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1c20 h ALA 125 CO -0.08 0.33 -0.40 0.82 0.00 0.00 0.00 179.25 179.93 1c20 h ILE 126 N 0.45 1.28 -0.29 0.00 2.04 0.52 -1.81 117.51 119.71 1c20 h ILE 126 Ca 0.08 -1.58 -0.18 0.00 1.00 0.00 0.00 64.86 64.18 1c20 h ILE 126 Cb 0.62 1.53 0.00 0.00 -0.74 0.00 0.00 36.82 38.24 1c20 h ILE 126 CO 0.04 0.52 -0.54 -0.78 0.00 0.00 0.00 178.15 177.38 1c20 h ASP 127 N 0.62 0.97 0.26 1.72 1.82 0.10 -2.79 116.42 119.13 1c20 h ASP 127 Ca 0.04 -0.53 -0.03 0.00 -0.39 0.00 0.00 57.03 56.11 1c20 h ASP 127 Cb 0.99 -0.28 -0.00 0.00 0.68 0.00 0.00 39.33 40.72 1c20 h ASP 127 CO 0.09 1.32 -0.16 1.23 -1.61 0.00 0.00 179.24 180.12 1c20 h GLY 128 N 0.66 0.00 0.41 -0.78 0.00 0.93 -3.18 103.07 101.11 1c20 h GLY 128 Ca 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.32 1c20 h GLY 128 CO 0.12 0.00 -0.20 -0.57 0.00 0.00 0.00 176.54 175.89 1c20 h ASN 129 N 0.00 -0.47 0.00 0.19 -0.73 -1.07 -3.51 115.58 110.00 1c20 h ASN 129 Ca -0.00 0.02 0.00 0.00 1.87 0.00 0.00 56.30 58.18 1c20 h ASN 129 Cb 0.33 0.12 0.00 0.00 0.27 0.00 0.00 38.32 39.05 1c20 h ASN 129 CO 0.02 -0.09 0.00 0.54 -0.37 0.00 0.00 177.43 177.53