#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 3.51 0.14 1.61 -0.00 -1.26 -5.06 118.94 117.89 1c20 s TRP 4 Ca 0.00 0.52 0.00 0.00 -0.00 0.00 0.00 56.10 56.62 1c20 s TRP 4 Cb 0.00 -2.14 -0.04 0.00 -0.00 0.00 0.00 33.47 31.29 1c20 s TRP 4 CO 0.00 0.46 0.02 -1.54 -0.00 0.00 0.00 176.95 175.89 1c20 s SER 5 N -0.21 0.76 0.08 5.86 1.04 -1.26 -5.04 113.70 114.93 1c20 s SER 5 Ca 0.14 -1.16 -0.27 0.00 0.48 0.00 0.00 55.95 55.14 1c20 s SER 5 Cb -0.12 0.20 -0.17 0.00 0.10 0.00 0.00 66.02 66.03 1c20 s SER 5 CO 0.03 -0.63 1.66 -0.26 0.98 0.00 0.00 173.24 175.02 1c20 h PHE 6 N 2.84 -0.38 0.00 5.02 0.04 -2.01 -2.56 116.94 119.88 1c20 h PHE 6 Ca -0.36 -0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.37 1c20 h PHE 6 Cb 1.19 0.13 -0.00 0.00 2.20 0.00 0.00 35.95 39.46 1c20 h PHE 6 CO 0.50 -0.22 -0.16 1.05 -0.60 0.00 0.00 178.31 178.88 1c20 h GLU 7 N -0.44 0.00 -0.68 1.51 4.11 -1.99 -2.75 114.58 114.34 1c20 h GLU 7 Ca -0.04 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.34 1c20 h GLU 7 Cb 0.33 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 1c20 h GLU 7 CO 0.07 0.16 0.25 1.49 0.07 0.00 0.00 179.01 181.05 1c20 h GLU 8 N 0.00 1.03 -0.38 1.06 4.81 -1.87 0.21 114.58 119.45 1c20 h GLU 8 Ca -0.00 -0.20 -0.16 0.00 -0.13 0.00 0.00 59.36 58.87 1c20 h GLU 8 Cb 0.48 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 1c20 h GLU 8 CO 0.02 0.87 -0.40 0.37 -0.73 0.00 0.00 179.01 179.14 1c20 h GLN 9 N 0.97 0.94 0.00 1.92 -0.00 -1.32 -2.94 115.11 114.68 1c20 h GLN 9 Ca 0.22 -0.50 -0.00 0.00 -0.00 0.00 0.00 58.65 58.37 1c20 h GLN 9 Cb 0.24 0.02 0.00 0.00 0.00 0.00 0.00 27.48 27.74 1c20 h GLN 9 CO -0.01 1.16 -0.00 0.35 0.00 0.00 0.00 178.83 180.32 1c20 h PHE 10 N 0.75 -0.00 0.00 3.99 3.04 -1.21 -2.87 116.94 120.64 1c20 h PHE 10 Ca 0.06 -0.00 -0.00 0.00 3.98 0.00 0.00 57.97 62.01 1c20 h PHE 10 Cb 1.00 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 39.51 1c20 h PHE 10 CO 0.06 0.27 -0.00 1.57 -2.02 0.00 0.00 178.31 178.19 1c20 h LYS 11 N -0.28 0.00 -1.01 1.11 2.10 -0.63 -0.56 116.57 117.31 1c20 h LYS 11 Ca -0.00 0.00 0.01 0.00 -2.00 0.00 0.00 60.65 58.66 1c20 h LYS 11 Cb 0.27 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.55 1c20 h LYS 11 CO 0.00 0.00 0.67 1.96 -2.00 0.00 0.00 179.45 180.08 1c20 h GLN 12 N 0.00 1.33 -0.23 0.07 4.20 -1.31 0.27 115.11 119.43 1c20 h GLN 12 Ca -0.00 -0.08 0.06 0.00 0.06 0.00 0.00 58.65 58.69 1c20 h GLN 12 Cb 0.00 -0.30 -0.01 0.00 0.30 0.00 0.00 27.48 27.47 1c20 h GLN 12 CO 0.00 0.88 0.16 -0.24 -0.67 0.00 0.00 178.83 178.96 1c20 h VAL 13 N 1.37 0.90 -0.23 -0.54 3.04 -1.04 -0.79 116.25 118.95 1c20 h VAL 13 Ca 0.37 -0.01 0.05 0.00 -1.01 0.00 0.00 66.70 66.10 1c20 h VAL 13 Cb -0.16 0.87 -0.04 0.00 -2.01 0.00 0.00 31.29 29.95 1c20 h VAL 13 CO -0.08 0.00 -0.05 -0.09 -1.01 0.00 0.00 177.57 176.34 1c20 h ARG 14 N 0.03 0.01 0.00 4.17 1.12 -0.42 -0.14 114.38 119.15 1c20 h ARG 14 Ca 0.11 -0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 58.97 1c20 h ARG 14 Cb 0.40 -0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 30.36 1c20 h ARG 14 CO -0.00 0.01 -0.04 -0.56 -3.11 0.00 0.00 179.97 176.26 1c20 h GLN 15 N 0.01 0.00 -0.17 0.20 3.07 -1.05 -2.24 115.11 114.92 1c20 h GLN 15 Ca 0.11 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.83 1c20 h GLN 15 Cb 0.17 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.72 1c20 h GLN 15 CO -0.23 0.04 0.03 -0.07 0.09 0.00 0.00 178.83 178.69 1c20 h LEU 16 N 0.00 0.26 -0.83 0.06 4.07 -0.85 -2.70 115.31 115.32 1c20 h LEU 16 Ca -0.00 -0.25 -0.04 0.00 0.08 0.00 0.00 57.88 57.67 1c20 h LEU 16 Cb 0.10 -0.07 -0.04 0.00 1.08 0.00 0.00 40.66 41.73 1c20 h LEU 16 CO 0.01 0.44 0.32 1.88 -1.08 0.00 0.00 178.44 180.00 1c20 h TYR 17 N 0.07 1.20 0.00 1.13 0.05 -1.17 -1.83 116.97 116.42 1c20 h TYR 17 Ca 0.05 -0.09 0.00 0.00 0.05 0.00 0.00 58.73 58.74 1c20 h TYR 17 Cb 0.29 -0.36 0.00 0.00 1.01 0.00 0.00 36.73 37.67 1c20 h TYR 17 CO 0.01 0.90 0.00 0.39 -1.05 0.00 0.00 178.16 178.42 1c20 n GLU 18 N -4.28 0.49 -0.23 4.88 1.02 -0.90 -3.55 120.64 118.08 1c20 n GLU 18 Ca 0.07 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.19 1c20 n GLU 18 Cb 0.18 -1.47 0.09 0.00 -0.02 0.00 0.00 31.44 30.22 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 1.01 -2.41 -3.67 2.04 -1.01 -3.47 117.51 109.99 1c20 h ILE 19 Ca 0.00 -0.25 0.19 0.00 1.00 0.00 0.00 64.86 65.80 1c20 h ILE 19 Cb 0.00 0.22 -0.05 0.00 -0.74 0.00 0.00 36.82 36.25 1c20 h ILE 19 CO 0.00 0.13 0.61 0.54 0.00 0.00 0.00 178.15 179.43 1c20 s ASN 20 N -5.63 -0.03 -0.16 1.72 2.20 -1.23 -5.02 114.94 106.79 1c20 s ASN 20 Ca -0.13 -0.57 0.11 0.00 -0.94 0.00 0.00 52.86 51.33 1c20 s ASN 20 Cb 0.16 0.45 0.60 0.00 -2.00 0.00 0.00 41.25 40.46 1c20 s ASN 20 CO 0.76 -0.89 1.42 0.47 -2.94 0.00 0.00 177.10 175.92 1c20 n ASP 21 N -1.05 4.39 -4.67 3.54 8.00 -1.26 -4.89 116.55 120.60 1c20 n ASP 21 Ca -0.03 -2.64 -0.46 0.00 0.71 0.00 0.00 54.79 52.36 1c20 n ASP 21 Cb 0.60 -0.62 -0.04 0.00 -0.02 0.00 0.00 41.12 41.03 1c20 n ASP 21 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1c20 n ASP 22 N 0.50 3.70 -0.21 -2.24 9.92 -1.26 -4.85 116.55 122.11 1c20 n ASP 22 Ca 0.20 0.95 -0.06 0.00 -0.53 0.00 0.00 54.79 55.35 1c20 n ASP 22 Cb 0.92 -1.42 0.04 0.00 -0.64 0.00 0.00 41.12 40.01 1c20 n ASP 22 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1c20 h PRO 23 N 9.69 0.79 -0.63 -0.24 0.14 -2.00 -2.38 132.00 137.37 1c20 h PRO 23 Ca -0.49 -0.05 -0.01 0.00 0.14 0.00 0.00 66.00 65.59 1c20 h PRO 23 Cb 1.26 -0.17 -0.03 0.00 0.14 0.00 0.00 31.00 32.20 1c20 h PRO 23 CO 0.95 0.54 0.36 0.87 0.14 0.00 0.00 178.00 180.86 1c20 h LYS 24 N 0.81 0.87 0.01 0.86 1.79 -1.97 0.27 116.57 119.20 1c20 h LYS 24 Ca 0.22 -0.09 -0.00 0.00 -2.18 0.00 0.00 60.65 58.60 1c20 h LYS 24 Cb -0.07 -0.18 -0.00 0.00 -1.58 0.00 0.00 32.23 30.40 1c20 h LYS 24 CO -0.05 0.64 -0.00 -0.09 -1.08 0.00 0.00 179.45 178.87 1c20 h ARG 25 N 0.86 -0.01 -0.02 3.15 2.43 -1.87 1.83 114.38 120.74 1c20 h ARG 25 Ca 0.22 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.39 1c20 h ARG 25 Cb 0.01 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.56 1c20 h ARG 25 CO -0.04 -0.01 0.01 -0.22 -1.51 0.00 0.00 179.97 178.21 1c20 h LYS 26 N -0.01 0.03 -0.47 0.20 3.64 -1.19 0.01 116.57 118.78 1c20 h LYS 26 Ca -0.00 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1c20 h LYS 26 Cb 0.01 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 1c20 h LYS 26 CO 0.00 0.10 0.23 1.49 -2.27 0.00 0.00 179.45 179.00 1c20 h GLU 27 N -0.04 0.68 -0.04 1.90 4.81 -0.15 -0.90 114.58 120.84 1c20 h GLU 27 Ca 0.01 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1c20 h GLU 27 Cb 0.07 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.33 1c20 h GLU 27 CO -0.00 0.57 0.03 0.35 -0.73 0.00 0.00 179.01 179.22 1c20 h PHE 28 N 0.62 0.05 -0.97 0.92 3.04 0.30 -1.91 116.94 118.99 1c20 h PHE 28 Ca 0.16 0.00 0.01 0.00 3.98 0.00 0.00 57.97 62.12 1c20 h PHE 28 Cb 0.11 -0.02 -0.05 0.00 2.56 0.00 0.00 35.95 38.55 1c20 h PHE 28 CO -0.01 0.03 0.64 -0.07 -2.02 0.00 0.00 178.31 176.88 1c20 h LEU 29 N 0.05 1.11 -1.00 0.59 3.38 -0.80 -0.95 115.31 117.71 1c20 h LEU 29 Ca 0.01 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 57.97 1c20 h LEU 29 Cb -0.01 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.42 1c20 h LEU 29 CO -0.00 0.81 0.66 0.44 0.09 0.00 0.00 178.44 180.43 1c20 h ASP 30 N 1.31 1.14 0.14 -0.43 3.32 -0.75 -1.25 116.42 119.91 1c20 h ASP 30 Ca 0.35 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.37 1c20 h ASP 30 Cb -0.15 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.12 1c20 h ASP 30 CO -0.08 0.82 -0.07 0.44 -1.72 0.00 0.00 179.24 178.64 1c20 h ASP 31 N 1.34 -0.16 0.52 6.45 3.32 -0.57 -2.14 116.42 125.19 1c20 h ASP 31 Ca 0.37 -0.39 -0.03 0.00 0.02 0.00 0.00 57.03 57.00 1c20 h ASP 31 Cb -0.15 0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.45 1c20 h ASP 31 CO -0.08 0.40 -0.25 0.25 -1.72 0.00 0.00 179.24 177.83 1c20 h LEU 32 N -0.82 -0.60 -0.91 1.55 5.85 -1.17 -0.48 115.31 118.73 1c20 h LEU 32 Ca -0.02 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.73 1c20 h LEU 32 Cb 0.54 0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.68 1c20 h LEU 32 CO 0.03 -0.43 0.60 -0.26 -0.34 0.00 0.00 178.44 178.05 1c20 h PHE 33 N -0.71 1.15 -0.66 1.25 -1.00 -1.37 -2.30 116.94 113.29 1c20 h PHE 33 Ca -0.07 0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.71 1c20 h PHE 33 Cb 0.54 -0.39 -0.03 0.00 3.61 0.00 0.00 35.95 39.68 1c20 h PHE 33 CO -0.04 0.72 0.32 0.66 -1.61 0.00 0.00 178.31 178.36 1c20 h SER 34 N 1.24 0.87 0.72 2.17 4.64 -1.17 0.25 113.55 122.27 1c20 h SER 34 Ca 0.33 -0.13 -0.04 0.00 -0.47 0.00 0.00 61.79 61.49 1c20 h SER 34 Cb -0.14 -0.22 0.01 0.00 -0.31 0.00 0.00 62.40 61.73 1c20 h SER 34 CO -0.07 0.76 -0.34 0.15 -0.87 0.00 0.00 176.83 176.45 1c20 h PHE 35 N 0.92 -0.89 0.00 4.77 3.04 -0.56 -2.55 116.94 121.67 1c20 h PHE 35 Ca 0.23 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.16 1c20 h PHE 35 Cb 0.12 0.29 0.00 0.00 2.56 0.00 0.00 35.95 38.92 1c20 h PHE 35 CO 0.00 -0.55 0.00 0.00 -2.02 0.00 0.00 178.31 175.75 1c20 n MET 36 N -5.49 0.19 0.00 1.11 0.00 -0.94 -3.13 117.12 108.86 1c20 n MET 36 Ca -0.14 0.42 0.00 0.00 0.00 0.00 0.00 57.70 57.98 1c20 n MET 36 Cb 0.39 -1.86 0.00 0.00 0.00 0.00 0.00 33.22 31.75 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 -2.22 0.00 -0.25 3.17 7.27 0.88 -2.57 117.38 123.66 1c20 n GLN 37 Ca 0.02 0.31 0.06 0.00 0.07 0.00 0.00 57.00 57.46 1c20 n GLN 37 Cb 0.23 -1.62 0.18 0.00 2.41 0.00 0.00 30.24 31.43 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 0.20 -0.69 3.69 3.64 -1.71 0.57 116.57 122.28 1c20 h LYS 38 Ca 0.00 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.29 1c20 h LYS 38 Cb 0.24 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.99 1c20 h LYS 38 CO 0.00 0.13 0.12 0.00 -2.27 0.00 0.00 179.45 177.43 1c20 h ARG 39 N 0.20 1.13 0.00 1.90 3.08 -1.83 -3.47 114.38 115.39 1c20 h ARG 39 Ca 0.41 -0.30 0.00 0.00 0.07 0.00 0.00 59.98 60.17 1c20 h ARG 39 Cb 0.73 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.64 1c20 h ARG 39 CO -0.56 1.02 0.00 0.41 -1.07 0.00 0.00 179.97 179.77 1c20 n GLY 40 N -0.59 1.62 3.70 0.04 0.00 0.20 -5.12 105.19 105.04 1c20 n GLY 40 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.02 4.06 0.00 2.61 -4.23 -1.26 -5.01 115.64 109.79 1c20 s THR 41 Ca 0.00 -1.02 0.00 0.00 -1.18 0.00 0.00 61.69 59.49 1c20 s THR 41 Cb 0.00 -2.96 0.00 0.00 1.34 0.00 0.00 72.50 70.88 1c20 s THR 41 CO 0.00 0.08 0.95 -0.81 -0.54 0.00 0.00 174.62 174.30 1c20 n PRO 42 N 0.43 0.00 0.00 3.99 -0.04 -1.26 -4.62 135.00 133.49 1c20 n PRO 42 Ca -0.10 0.56 0.00 0.00 -0.04 0.00 0.00 63.50 63.92 1c20 n PRO 42 Cb 0.52 -1.45 0.00 0.00 -0.04 0.00 0.00 33.50 32.54 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 -2.06 0.00 0.00 0.52 0.13 -1.26 -4.85 119.36 111.84 1c20 n ILE 43 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.65 1c20 n ILE 43 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 38.80 1c20 n ILE 43 CO 0.00 0.00 0.00 0.59 2.80 0.00 0.00 176.55 179.94 1c20 n ASN 44 N 0.00 0.00 -3.94 9.51 4.13 -1.26 -5.05 115.26 118.65 1c20 n ASN 44 Ca 0.00 0.00 -0.10 0.00 1.68 0.00 0.00 54.58 56.16 1c20 n ASN 44 Cb 0.00 0.00 -0.12 0.00 -1.54 0.00 0.00 39.78 38.12 1c20 n ASN 44 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1c20 s ARG 45 N 0.00 0.21 -0.55 3.52 0.52 -1.26 -5.05 118.95 116.33 1c20 s ARG 45 Ca 0.00 -0.40 0.05 0.00 -0.52 0.00 0.00 55.73 54.85 1c20 s ARG 45 Cb 0.00 0.07 0.17 0.00 0.52 0.00 0.00 34.95 35.71 1c20 s ARG 45 CO 0.00 -0.03 0.42 1.28 0.02 0.00 0.00 175.30 176.99 1c20 n LEU 46 N 2.10 1.21 -4.51 2.53 4.77 -1.26 -5.11 117.00 116.73 1c20 n LEU 46 Ca -0.20 -4.78 -0.29 0.00 -0.03 0.00 0.00 56.01 50.71 1c20 n LEU 46 Cb 0.57 -0.07 0.24 0.00 -2.33 0.00 0.00 43.42 41.83 1c20 n LEU 46 CO 0.22 1.82 0.54 -2.84 -1.33 0.00 0.00 177.39 175.80 1c20 s PRO 47 N -0.72 -1.12 -0.13 3.23 0.02 -1.26 -4.81 135.00 130.20 1c20 s PRO 47 Ca 0.29 0.43 -0.01 0.00 0.02 0.00 0.00 61.00 61.73 1c20 s PRO 47 Cb 0.01 -1.56 -0.02 0.00 0.02 0.00 0.00 34.50 32.94 1c20 s PRO 47 CO -0.18 -3.75 -0.09 0.42 -0.33 0.00 0.00 177.00 173.06 1c20 s ILE 48 N -2.64 3.43 -0.01 2.83 -1.09 -1.26 -3.14 121.20 119.31 1c20 s ILE 48 Ca 0.68 -0.53 0.01 0.00 -2.23 0.00 0.00 60.65 58.58 1c20 s ILE 48 Cb -0.18 -2.46 0.01 0.00 -1.58 0.00 0.00 42.46 38.24 1c20 s ILE 48 CO 0.60 0.52 -0.02 0.00 -1.23 0.00 0.00 174.94 174.81 1c20 s MET 49 N 0.24 0.28 -1.35 2.79 0.23 -0.13 -4.88 119.30 116.47 1c20 s MET 49 Ca -0.06 -0.06 -0.02 0.00 -1.03 0.00 0.00 55.69 54.52 1c20 s MET 49 Cb -0.15 -0.32 0.01 0.00 -1.53 0.00 0.00 34.83 32.84 1c20 s MET 49 CO 0.04 0.01 0.68 0.00 -2.03 0.00 0.00 175.02 173.72 1c20 n ALA 50 N 3.33 -1.93 -0.16 3.16 0.00 -1.26 0.11 120.51 123.76 1c20 n ALA 50 Ca -0.17 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.13 1c20 n ALA 50 Cb 0.56 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.88 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 -4.34 0.00 -3.16 0.00 4.81 -1.26 -4.86 118.16 109.34 1c20 n LYS 51 Ca -0.26 0.00 -0.19 0.00 -0.87 0.00 0.00 58.31 56.98 1c20 n LYS 51 Cb 0.66 -3.96 0.02 0.00 0.02 0.00 0.00 35.03 31.77 1c20 n LYS 51 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 1c20 s SER 52 N -1.89 5.31 -0.05 3.14 1.04 0.12 -5.12 113.70 116.25 1c20 s SER 52 Ca 0.00 -0.67 0.06 0.00 0.48 0.00 0.00 55.95 55.82 1c20 s SER 52 Cb 0.00 -0.25 -0.01 0.00 0.10 0.00 0.00 66.02 65.86 1c20 s SER 52 CO 0.00 -0.97 -0.23 -0.69 0.98 0.00 0.00 173.24 172.33 1c20 s VAL 53 N -2.51 1.90 -0.71 5.02 1.01 -1.26 -0.95 120.40 122.90 1c20 s VAL 53 Ca 0.55 -0.99 -0.26 0.00 0.00 0.00 0.00 61.98 61.28 1c20 s VAL 53 Cb -0.07 -1.61 -0.11 0.00 0.00 0.00 0.00 36.38 34.60 1c20 s VAL 53 CO 0.33 0.53 2.35 -0.22 0.00 0.00 0.00 175.10 178.10 1c20 s LEU 54 N -0.20 3.05 -0.10 3.92 2.96 -1.19 -4.89 118.68 122.23 1c20 s LEU 54 Ca -0.01 0.28 -0.30 0.00 -0.22 0.00 0.00 54.13 53.88 1c20 s LEU 54 Cb -0.12 -2.54 -0.03 0.00 0.50 0.00 0.00 46.19 44.00 1c20 s LEU 54 CO 0.03 -3.47 1.39 -0.62 -1.32 0.00 0.00 176.35 172.36 1c20 s ASP 55 N 10.92 6.86 0.31 3.68 -1.08 -1.26 -4.88 116.67 131.22 1c20 s ASP 55 Ca 0.91 1.92 0.03 0.00 -0.52 0.00 0.00 52.55 54.89 1c20 s ASP 55 Cb -0.13 -2.54 0.61 0.00 -1.46 0.00 0.00 42.92 39.39 1c20 s ASP 55 CO 0.13 -0.79 1.90 -0.07 0.52 0.00 0.00 175.17 176.85 1c20 h LEU 56 N 9.54 0.84 -0.97 -1.34 3.38 -2.00 -0.57 115.31 124.18 1c20 h LEU 56 Ca -0.32 0.02 0.22 0.00 0.09 0.00 0.00 57.88 57.89 1c20 h LEU 56 Cb 1.14 -0.16 -0.12 0.00 0.09 0.00 0.00 40.66 41.61 1c20 h LEU 56 CO 0.95 0.51 0.55 0.22 0.09 0.00 0.00 178.44 180.76 1c20 h TYR 57 N 0.93 0.95 -0.61 1.13 5.03 -2.00 0.18 116.97 122.58 1c20 h TYR 57 Ca 0.41 0.04 0.01 0.00 2.58 0.00 0.00 58.73 61.76 1c20 h TYR 57 Cb 0.34 -0.27 -0.03 0.00 1.55 0.00 0.00 36.73 38.33 1c20 h TYR 57 CO -0.00 0.08 0.41 1.49 -1.32 0.00 0.00 178.16 178.82 1c20 h GLU 58 N 0.59 0.81 -0.32 1.82 4.81 -1.49 -0.92 114.58 119.88 1c20 h GLU 58 Ca 0.61 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.79 1c20 h GLU 58 Cb 1.10 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 30.28 1c20 h GLU 58 CO -0.46 0.54 0.21 1.25 -0.73 0.00 0.00 179.01 179.82 1c20 h LEU 59 N 0.83 0.37 0.00 1.64 5.85 -0.71 -2.02 115.31 121.27 1c20 h LEU 59 Ca 0.22 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.93 1c20 h LEU 59 Cb -0.09 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 40.85 1c20 h LEU 59 CO -0.05 0.27 -0.00 0.22 -0.34 0.00 0.00 178.44 178.54 1c20 h TYR 60 N 0.43 -0.00 -0.82 1.25 3.20 -0.77 -0.92 116.97 119.34 1c20 h TYR 60 Ca 0.12 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.00 1c20 h TYR 60 Cb -0.05 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.18 1c20 h TYR 60 CO -0.05 0.00 0.55 -0.91 -1.64 0.00 0.00 178.16 176.10 1c20 h ASN 61 N -0.00 0.95 -0.81 -2.11 2.35 -1.04 -1.00 115.58 113.91 1c20 h ASN 61 Ca -0.00 -0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 55.68 1c20 h ASN 61 Cb 0.00 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 38.10 1c20 h ASN 61 CO 0.00 0.68 0.33 -0.07 -1.65 0.00 0.00 177.43 176.72 1c20 h LEU 62 N 1.12 1.11 0.38 1.61 3.38 -1.15 -0.59 115.31 121.17 1c20 h LEU 62 Ca 0.30 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 1c20 h LEU 62 Cb -0.13 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.34 1c20 h LEU 62 CO -0.07 0.98 -0.18 0.58 0.09 0.00 0.00 178.44 179.84 1c20 h VAL 63 N 1.17 0.63 -0.74 1.22 2.07 -0.24 -2.63 116.25 117.74 1c20 h VAL 63 Ca 0.27 -0.15 -0.04 0.00 0.82 0.00 0.00 66.70 67.60 1c20 h VAL 63 Cb 0.21 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 1c20 h VAL 63 CO -0.02 0.03 0.31 0.40 0.02 0.00 0.00 177.57 178.31 1c20 h ILE 64 N -0.59 1.25 0.00 4.57 1.08 -1.13 -1.01 117.51 121.67 1c20 h ILE 64 Ca -0.05 -0.77 0.00 0.00 -0.39 0.00 0.00 64.86 63.65 1c20 h ILE 64 Cb 0.44 0.37 0.00 0.00 -3.07 0.00 0.00 36.82 34.56 1c20 h ILE 64 CO 0.09 0.31 0.11 0.00 -0.69 0.00 0.00 178.15 177.96 1c20 h ALA 65 N 1.15 1.08 -0.59 1.87 0.00 -0.95 0.20 119.26 122.03 1c20 h ALA 65 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1c20 h ALA 65 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1c20 h ALA 65 CO -0.02 -0.08 0.00 0.54 0.00 0.00 0.00 179.25 179.68 1c20 n ARG 66 N -2.46 4.55 0.00 0.00 5.12 -0.42 -4.88 116.66 118.57 1c20 n ARG 66 Ca -0.02 -3.04 0.00 0.00 -1.93 0.00 0.00 57.85 52.86 1c20 n ARG 66 Cb 0.15 -2.16 0.00 0.00 -1.16 0.00 0.00 32.46 29.29 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 0.77 1.38 0.00 -0.13 0.00 0.70 -4.44 105.19 103.48 1c20 n GLY 67 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.29 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 -2.00 3.73 0.25 -0.02 0.00 -0.98 -4.62 105.19 101.55 1c20 n GLY 68 Ca 0.00 -1.77 -0.06 0.00 0.00 0.00 0.00 46.02 44.19 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 0.70 -1.01 0.99 5.85 -1.91 -1.48 115.31 118.45 1c20 h LEU 69 Ca 0.00 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.71 1c20 h LEU 69 Cb 0.00 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 40.81 1c20 h LEU 69 CO 0.00 0.50 0.67 0.58 -0.34 0.00 0.00 178.44 179.85 1c20 h VAL 70 N 0.83 1.26 -0.94 1.05 2.07 -1.95 -1.17 116.25 117.40 1c20 h VAL 70 Ca 0.23 -0.47 -0.00 0.00 0.82 0.00 0.00 66.70 67.28 1c20 h VAL 70 Cb -0.07 -0.22 -0.05 0.00 -1.52 0.00 0.00 31.29 29.43 1c20 h VAL 70 CO -0.06 0.25 0.57 -0.78 0.02 0.00 0.00 177.57 177.57 1c20 h ASP 71 N 1.37 1.13 -0.01 0.57 1.82 -1.56 -2.04 116.42 117.69 1c20 h ASP 71 Ca 0.37 -0.07 -0.00 0.00 -0.39 0.00 0.00 57.03 56.94 1c20 h ASP 71 Cb -0.16 -0.28 -0.00 0.00 0.68 0.00 0.00 39.33 39.57 1c20 h ASP 71 CO -0.08 0.86 0.00 0.58 -1.61 0.00 0.00 179.24 178.99 1c20 h VAL 72 N 1.29 1.14 -0.19 2.25 2.07 -0.36 -2.78 116.25 119.68 1c20 h VAL 72 Ca 0.34 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1c20 h VAL 72 Cb -0.06 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 1c20 h VAL 72 CO -0.06 0.11 0.12 0.40 0.02 0.00 0.00 177.57 178.16 1c20 h ILE 73 N -0.17 1.05 -0.81 4.57 2.04 -1.08 0.50 117.51 123.62 1c20 h ILE 73 Ca 0.00 -0.11 0.01 0.00 1.00 0.00 0.00 64.86 65.77 1c20 h ILE 73 Cb 0.18 0.78 -0.04 0.00 -0.74 0.00 0.00 36.82 37.00 1c20 h ILE 73 CO -0.00 0.05 0.54 -1.13 0.00 0.00 0.00 178.15 177.61 1c20 h ASN 74 N 0.25 0.93 -0.45 1.72 -0.73 -1.38 -2.19 115.58 113.73 1c20 h ASN 74 Ca 0.07 -0.02 0.00 0.00 1.87 0.00 0.00 56.30 58.22 1c20 h ASN 74 Cb -0.02 -0.23 0.00 0.00 0.27 0.00 0.00 38.32 38.34 1c20 h ASN 74 CO -0.01 0.67 0.00 0.29 -0.37 0.00 0.00 177.43 178.01 1c20 n LYS 75 N -4.52 2.37 -3.67 6.67 5.02 -1.05 -4.87 118.16 118.11 1c20 n LYS 75 Ca 0.08 -2.09 -0.31 0.00 -2.02 0.00 0.00 58.31 53.97 1c20 n LYS 75 Cb 0.02 -1.49 0.05 0.00 -0.02 0.00 0.00 35.03 33.59 1c20 n LYS 75 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1c20 n LYS 76 N 1.25 -1.25 -0.56 1.97 5.02 0.16 -4.84 118.16 119.92 1c20 n LYS 76 Ca 0.19 0.47 0.04 0.00 -2.02 0.00 0.00 58.31 57.00 1c20 n LYS 76 Cb 0.53 -4.17 0.25 0.00 -0.02 0.00 0.00 35.03 31.63 1c20 n LYS 76 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1c20 n LEU 77 N -4.16 3.93 0.28 -0.35 4.77 -0.42 -4.29 117.00 116.76 1c20 n LEU 77 Ca -0.09 -1.99 0.11 0.00 -0.03 0.00 0.00 56.01 54.01 1c20 n LEU 77 Cb 0.59 -0.61 0.77 0.00 -2.33 0.00 0.00 43.42 41.84 1c20 n LEU 77 CO 0.67 0.49 1.10 -0.50 -1.33 0.00 0.00 177.39 177.82 1c20 h TRP 78 N 2.52 0.00 -0.75 -1.77 4.06 -1.89 -2.08 115.95 116.04 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 1.41 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 29.53 1c20 h TRP 78 CO 0.68 0.00 0.50 0.37 -3.56 0.00 0.00 178.44 176.43 1c20 h GLN 79 N 0.00 0.99 0.00 0.49 5.75 -1.98 0.49 115.11 120.85 1c20 h GLN 79 Ca -0.00 -0.06 -0.00 0.00 -0.15 0.00 0.00 58.65 58.44 1c20 h GLN 79 Cb 0.00 -0.22 0.00 0.00 1.07 0.00 0.00 27.48 28.33 1c20 h GLN 79 CO 0.00 0.66 -0.00 1.49 -2.65 0.00 0.00 178.83 178.33 1c20 h GLU 80 N 1.02 -0.00 -0.12 1.69 4.22 -1.72 1.01 114.58 120.68 1c20 h GLU 80 Ca 0.28 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.71 1c20 h GLU 80 Cb -0.12 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 1c20 h GLU 80 CO -0.06 0.02 0.04 0.82 -2.18 0.00 0.00 179.01 177.64 1c20 h ILE 81 N -0.02 1.18 -0.74 2.32 2.04 -1.49 -2.29 117.51 118.51 1c20 h ILE 81 Ca -0.00 -0.55 -0.01 0.00 1.00 0.00 0.00 64.86 65.30 1c20 h ILE 81 Cb 0.02 1.32 -0.04 0.00 -0.74 0.00 0.00 36.82 37.38 1c20 h ILE 81 CO 0.00 0.16 0.42 0.40 0.00 0.00 0.00 178.15 179.13 1c20 h ILE 82 N 0.01 1.22 -0.33 -0.67 2.04 0.17 -0.75 117.51 119.19 1c20 h ILE 82 Ca 0.04 -0.52 0.04 0.00 1.00 0.00 0.00 64.86 65.41 1c20 h ILE 82 Cb 0.22 0.20 -0.04 0.00 -0.74 0.00 0.00 36.82 36.47 1c20 h ILE 82 CO -0.00 0.24 0.11 0.50 0.00 0.00 0.00 178.15 179.00 1c20 h LYS 83 N 1.03 0.25 -0.88 2.37 3.64 0.14 -0.56 116.57 122.56 1c20 h LYS 83 Ca 0.26 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.60 1c20 h LYS 83 Cb 0.01 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.73 1c20 h LYS 83 CO -0.04 0.16 0.45 0.78 -2.27 0.00 0.00 179.45 178.53 1c20 h GLY 84 N 0.25 1.34 -5.39 5.01 0.00 -0.85 -2.88 103.07 100.55 1c20 h GLY 84 Ca 0.15 -0.64 -0.69 0.00 0.00 0.00 0.00 47.33 46.15 1c20 h GLY 84 CO -0.16 0.61 2.11 1.04 0.00 0.00 0.00 176.54 180.15 1c20 n LEU 85 N -4.31 7.79 -4.19 3.11 4.32 -0.25 -5.00 117.00 118.47 1c20 n LEU 85 Ca 0.09 -4.70 -0.39 0.00 -0.02 0.00 0.00 56.01 50.99 1c20 n LEU 85 Cb 0.12 -1.35 0.01 0.00 -1.62 0.00 0.00 43.42 40.58 1c20 n LEU 85 CO 0.39 2.00 -0.59 1.41 -1.22 0.00 0.00 177.39 179.39 1c20 n HIS 86 N 1.69 -2.68 -3.06 -1.77 8.25 -1.04 -4.83 115.22 111.77 1c20 n HIS 86 Ca 0.61 0.48 -0.41 0.00 -0.26 0.00 0.00 57.72 58.14 1c20 n HIS 86 Cb 0.31 -1.68 -0.06 0.00 1.12 0.00 0.00 29.99 29.68 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 4.79 4.11 0.00 2.41 1.02 -1.26 -4.91 118.68 124.84 1c20 s LEU 87 Ca 0.56 0.59 0.00 0.00 0.02 0.00 0.00 54.13 55.31 1c20 s LEU 87 Cb -0.52 -2.90 0.00 0.00 0.02 0.00 0.00 46.19 42.79 1c20 s LEU 87 CO 0.64 -0.48 0.13 -2.65 0.02 0.00 0.00 176.35 174.01 1c20 n PRO 88 N 5.91 0.15 0.00 1.29 -0.02 -1.26 -4.63 135.00 136.43 1c20 n PRO 88 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 1c20 n PRO 88 Cb 0.49 -1.32 0.00 0.00 -0.02 0.00 0.00 33.50 32.65 1c20 n PRO 88 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1c20 n SER 89 N 0.78 0.00 -0.32 2.55 2.88 -1.26 -4.52 113.62 113.73 1c20 n SER 89 Ca 0.00 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.66 1c20 n SER 89 Cb 0.06 -0.70 0.17 0.00 -0.75 0.00 0.00 64.21 62.99 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 1.41 -4.15 -3.46 7.64 -1.26 -4.81 113.62 108.99 1c20 n SER 90 Ca 0.00 -1.12 -0.33 0.00 1.01 0.00 0.00 58.87 58.43 1c20 n SER 90 Cb 0.00 0.35 -0.16 0.00 -1.01 0.00 0.00 64.21 63.39 1c20 n SER 90 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1c20 s ILE 91 N -2.56 2.09 -0.20 0.44 -1.09 -1.26 -4.99 121.20 113.63 1c20 s ILE 91 Ca 0.20 -0.95 0.12 0.00 -2.23 0.00 0.00 60.65 57.79 1c20 s ILE 91 Cb 0.18 -1.86 0.40 0.00 -1.58 0.00 0.00 42.46 39.61 1c20 s ILE 91 CO 0.58 0.54 1.21 0.35 -1.23 0.00 0.00 174.94 176.39 1c20 n THR 92 N 4.38 2.14 -2.28 2.92 -2.24 -1.26 -4.66 114.28 113.27 1c20 n THR 92 Ca -0.21 -3.08 -0.02 0.00 -2.27 0.00 0.00 64.05 58.47 1c20 n THR 92 Cb 0.51 -0.22 -0.02 0.00 -2.10 0.00 0.00 70.33 68.50 1c20 n THR 92 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1c20 n SER 93 N -1.14 -0.10 -0.38 3.42 3.41 -1.26 -4.93 113.62 112.64 1c20 n SER 93 Ca 0.18 -2.01 -0.02 0.00 -0.26 0.00 0.00 58.87 56.76 1c20 n SER 93 Cb 0.69 0.04 0.11 0.00 -0.26 0.00 0.00 64.21 64.79 1c20 n SER 93 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1c20 h ALA 94 N 0.58 1.28 -0.15 7.33 0.00 -1.99 -1.93 119.26 124.39 1c20 h ALA 94 Ca -0.41 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.44 1c20 h ALA 94 Cb 1.59 -0.41 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1c20 h ALA 94 CO -0.11 0.67 0.08 0.00 0.00 0.00 0.00 179.25 179.89 1c20 h ALA 95 N 1.37 0.18 -0.81 0.00 0.00 -1.97 -1.23 119.26 116.79 1c20 h ALA 95 Ca 0.37 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.28 1c20 h ALA 95 Cb -0.15 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 1c20 h ALA 95 CO -0.08 -0.35 0.54 0.35 0.00 0.00 0.00 179.25 179.71 1c20 h PHE 96 N 0.17 1.02 -0.26 0.00 3.57 -1.85 -2.04 116.94 117.55 1c20 h PHE 96 Ca 0.06 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.54 1c20 h PHE 96 Cb -0.00 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 38.38 1c20 h PHE 96 CO -0.08 0.64 0.01 1.15 -2.23 0.00 0.00 178.31 177.79 1c20 h THR 97 N 1.10 1.25 0.15 4.41 2.02 -1.01 -2.55 112.91 118.28 1c20 h THR 97 Ca 0.30 -0.89 -0.01 0.00 0.77 0.00 0.00 66.41 66.58 1c20 h THR 97 Cb -0.12 1.32 0.00 0.00 -1.74 0.00 0.00 68.15 67.61 1c20 h THR 97 CO -0.07 0.28 -0.07 -0.07 0.37 0.00 0.00 175.52 175.96 1c20 h LEU 98 N 0.24 -0.17 -0.91 2.58 3.38 -0.99 1.38 115.31 120.83 1c20 h LEU 98 Ca 0.07 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.05 1c20 h LEU 98 Cb 0.40 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 1c20 h LEU 98 CO 0.01 -0.11 0.59 0.08 0.09 0.00 0.00 178.44 179.10 1c20 h ARG 99 N -0.21 1.20 0.13 1.13 0.11 -1.41 -1.79 114.38 113.54 1c20 h ARG 99 Ca -0.02 -0.08 -0.33 0.00 0.10 0.00 0.00 59.98 59.65 1c20 h ARG 99 Cb 0.16 -0.27 -0.01 0.00 1.11 0.00 0.00 29.97 30.97 1c20 h ARG 99 CO 0.03 0.80 -1.71 0.00 0.10 0.00 0.00 179.97 179.20 1c20 h THR 100 N 1.23 0.95 -0.09 0.08 1.03 -1.29 -3.09 112.91 111.75 1c20 h THR 100 Ca 0.33 -2.61 0.00 0.00 -0.01 0.00 0.00 66.41 64.12 1c20 h THR 100 Cb -0.13 2.68 -0.00 0.00 -1.07 0.00 0.00 68.15 69.63 1c20 h THR 100 CO -0.07 0.82 0.06 -0.61 -0.01 0.00 0.00 175.52 175.70 1c20 h GLN 101 N 0.07 0.11 -0.00 0.00 4.15 0.19 0.36 115.11 120.00 1c20 h GLN 101 Ca -0.31 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.10 1c20 h GLN 101 Cb 2.04 -0.03 -0.00 0.00 0.21 0.00 0.00 27.48 29.71 1c20 h GLN 101 CO 0.14 0.08 -0.01 -0.92 -1.93 0.00 0.00 178.83 176.19 1c20 h TYR 102 N 0.12 -0.02 -0.10 3.99 5.03 -1.48 -1.92 116.97 122.59 1c20 h TYR 102 Ca 0.03 0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.32 1c20 h TYR 102 Cb -0.01 0.01 -0.01 0.00 1.55 0.00 0.00 36.73 38.27 1c20 h TYR 102 CO -0.07 -0.01 -0.02 0.52 -1.32 0.00 0.00 178.16 177.25 1c20 h MET 103 N -0.01 0.14 -1.01 1.82 2.86 -1.39 1.55 114.93 118.88 1c20 h MET 103 Ca 0.00 -0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.64 1c20 h MET 103 Cb 0.02 -0.03 -0.05 0.00 0.06 0.00 0.00 31.60 31.60 1c20 h MET 103 CO -0.01 0.18 0.66 -0.22 1.06 0.00 0.00 176.91 178.58 1c20 h LYS 104 N 0.14 1.33 0.00 1.72 3.64 0.54 -3.37 116.57 120.57 1c20 h LYS 104 Ca 0.03 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1c20 h LYS 104 Cb 0.14 -0.30 0.00 0.00 -0.41 0.00 0.00 32.23 31.66 1c20 h LYS 104 CO 0.00 0.88 0.00 0.66 -2.27 0.00 0.00 179.45 178.73 1c20 n TYR 105 N -4.38 0.00 -0.01 1.91 4.01 -1.01 -4.90 117.16 112.78 1c20 n TYR 105 Ca 0.12 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.93 1c20 n TYR 105 Cb 0.01 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 38.94 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 -0.02 0.00 -0.12 7.72 4.77 0.52 -4.25 117.00 125.62 1c20 n LEU 106 Ca 0.00 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.93 1c20 n LEU 106 Cb 0.09 0.00 0.14 0.00 -2.33 0.00 0.00 43.42 41.33 1c20 n LEU 106 CO 0.00 0.00 0.86 0.22 -1.33 0.00 0.00 177.39 177.15 1c20 h TYR 107 N 0.00 0.88 -0.12 -1.77 3.20 -1.44 -0.03 116.97 117.69 1c20 h TYR 107 Ca -0.00 -0.13 -0.23 0.00 3.14 0.00 0.00 58.73 61.50 1c20 h TYR 107 Cb 0.63 -0.24 0.01 0.00 1.54 0.00 0.00 36.73 38.68 1c20 h TYR 107 CO 0.00 0.81 -0.83 -1.00 -1.64 0.00 0.00 178.16 175.50 1c20 h PRO 108 N 0.76 0.78 -0.02 1.82 0.14 -1.84 -2.62 132.00 131.01 1c20 h PRO 108 Ca 0.14 -0.67 -0.00 0.00 0.14 0.00 0.00 66.00 65.61 1c20 h PRO 108 Cb 0.48 0.15 -0.00 0.00 0.14 0.00 0.00 31.00 31.77 1c20 h PRO 108 CO 0.02 1.27 0.01 -0.92 0.14 0.00 0.00 178.00 178.52 1c20 h TYR 109 N 0.50 0.03 -0.49 1.56 3.20 -1.70 -0.86 116.97 119.22 1c20 h TYR 109 Ca -0.07 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 61.86 1c20 h TYR 109 Cb 1.47 -0.01 -0.05 0.00 1.54 0.00 0.00 36.73 39.67 1c20 h TYR 109 CO 0.09 0.19 0.19 1.49 -1.64 0.00 0.00 178.16 178.48 1c20 h GLU 110 N -0.13 0.36 -0.81 1.82 4.81 -1.06 -1.57 114.58 118.00 1c20 h GLU 110 Ca 0.01 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.17 1c20 h GLU 110 Cb 0.17 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.43 1c20 h GLU 110 CO -0.00 0.24 0.34 0.00 -0.73 0.00 0.00 179.01 178.86 1c20 h GLU 112 N 1.18 0.04 -0.38 0.00 4.81 -0.32 2.26 114.58 122.17 1c20 h GLU 112 Ca 0.27 -0.01 -0.16 0.00 -0.13 0.00 0.00 59.36 59.33 1c20 h GLU 112 Cb 0.19 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 1c20 h GLU 112 CO -0.03 0.24 -0.40 0.87 -0.73 0.00 0.00 179.01 178.97 1c20 h LYS 113 N -0.16 0.94 0.00 1.92 1.79 -1.24 -3.38 116.57 116.44 1c20 h LYS 113 Ca 0.01 -0.50 0.00 0.00 -2.18 0.00 0.00 60.65 57.98 1c20 h LYS 113 Cb 0.21 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.89 1c20 h LYS 113 CO -0.00 1.16 -0.33 1.63 -1.08 0.00 0.00 179.45 180.83 1c20 n LYS 114 N -4.06 3.95 -3.86 3.15 5.02 -0.47 -5.03 118.16 116.86 1c20 n LYS 114 Ca -0.02 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 56.03 1c20 n LYS 114 Cb 0.55 -0.61 -0.00 0.00 -0.02 0.00 0.00 35.03 34.95 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 -1.00 -0.72 -0.37 4.39 5.15 0.76 -4.83 115.26 118.64 1c20 n ASN 115 Ca 0.00 -0.94 -0.02 0.00 -0.60 0.00 0.00 54.58 53.02 1c20 n ASN 115 Cb 0.00 -3.43 0.11 0.00 -0.53 0.00 0.00 39.78 35.93 1c20 n ASN 115 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1c20 h LEU 116 N -1.85 1.12 -7.55 1.20 3.38 -1.77 -3.46 115.31 106.38 1c20 h LEU 116 Ca -0.62 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.28 1c20 h LEU 116 Cb 1.37 -0.28 -0.11 0.00 0.09 0.00 0.00 40.66 41.73 1c20 h LEU 116 CO 0.61 0.81 -0.01 -0.94 0.09 0.00 0.00 178.44 178.99 1c20 s SER 117 N -6.08 -0.26 0.15 -0.43 1.04 -1.26 -5.08 113.70 101.78 1c20 s SER 117 Ca -0.13 -0.41 0.05 0.00 0.48 0.00 0.00 55.95 55.94 1c20 s SER 117 Cb 0.18 0.54 -0.04 0.00 0.10 0.00 0.00 66.02 66.80 1c20 s SER 117 CO 0.81 -0.97 0.10 0.42 0.98 0.00 0.00 173.24 174.58 1c20 s THR 118 N -3.85 4.32 0.62 2.02 -4.23 -1.26 -4.92 115.64 108.35 1c20 s THR 118 Ca 0.07 -1.11 0.24 0.00 -1.18 0.00 0.00 61.69 59.72 1c20 s THR 118 Cb 0.00 -3.18 0.24 0.00 1.34 0.00 0.00 72.50 70.91 1c20 s THR 118 CO -0.06 -0.07 1.74 -0.65 -0.54 0.00 0.00 174.62 175.03 1c20 h PRO 119 N 2.62 0.00 0.35 3.99 0.10 -2.01 -1.48 132.00 135.57 1c20 h PRO 119 Ca -0.47 0.00 -0.02 0.00 0.10 0.00 0.00 66.00 65.61 1c20 h PRO 119 Cb 1.19 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.30 1c20 h PRO 119 CO 0.62 0.00 -0.17 0.00 0.10 0.00 0.00 178.00 178.55 1c20 h ALA 120 N 1.12 -0.47 0.00 -0.75 0.00 -2.01 -2.99 119.26 114.16 1c20 h ALA 120 Ca 0.00 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1c20 h ALA 120 Cb 0.86 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1c20 h ALA 120 CO 0.00 -0.52 -0.20 1.05 0.00 0.00 0.00 179.25 179.58 1c20 h GLU 121 N -0.97 0.00 -0.54 0.00 4.11 -1.73 -2.77 114.58 112.69 1c20 h GLU 121 Ca -0.05 0.00 0.01 0.00 0.07 0.00 0.00 59.36 59.39 1c20 h GLU 121 Cb 0.52 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.74 1c20 h GLU 121 CO 0.08 0.20 0.36 1.25 0.07 0.00 0.00 179.01 180.97 1c20 h LEU 122 N 0.00 0.62 -1.08 3.06 5.85 -1.30 -0.35 115.31 122.11 1c20 h LEU 122 Ca -0.00 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.71 1c20 h LEU 122 Cb 0.66 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.49 1c20 h LEU 122 CO 0.03 0.45 0.62 1.56 -0.34 0.00 0.00 178.44 180.75 1c20 h GLN 123 N 0.73 1.24 -0.92 1.25 4.20 -1.34 0.46 115.11 120.73 1c20 h GLN 123 Ca 0.20 -0.07 0.06 0.00 0.06 0.00 0.00 58.65 58.90 1c20 h GLN 123 Cb -0.08 -0.28 -0.06 0.00 0.30 0.00 0.00 27.48 27.36 1c20 h GLN 123 CO -0.05 0.82 0.60 0.00 -0.67 0.00 0.00 178.83 179.53 1c20 h ALA 124 N 1.41 1.49 -0.29 3.87 0.00 -1.06 1.63 119.26 126.32 1c20 h ALA 124 Ca 0.34 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.19 1c20 h ALA 124 Cb -0.15 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.35 1c20 h ALA 124 CO -0.07 0.38 0.03 0.00 0.00 0.00 0.00 179.25 179.59 1c20 h ALA 125 N 1.50 0.38 -0.32 0.00 0.00 0.40 0.18 119.26 121.39 1c20 h ALA 125 Ca 0.39 -0.20 -0.14 0.00 0.00 0.00 0.00 54.91 54.96 1c20 h ALA 125 Cb 0.17 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1c20 h ALA 125 CO -0.14 0.09 -0.35 0.82 0.00 0.00 0.00 179.25 179.66 1c20 h ILE 126 N 0.30 1.29 -1.01 0.00 2.04 0.01 -2.86 117.51 117.27 1c20 h ILE 126 Ca 0.09 -1.53 0.01 0.00 1.00 0.00 0.00 64.86 64.43 1c20 h ILE 126 Cb 0.36 1.51 -0.05 0.00 -0.74 0.00 0.00 36.82 37.91 1c20 h ILE 126 CO 0.01 0.50 0.67 -0.78 0.00 0.00 0.00 178.15 178.54 1c20 h ASP 127 N 0.59 1.16 -0.51 1.72 1.82 0.25 -0.45 116.42 120.99 1c20 h ASP 127 Ca 0.05 -0.03 0.05 0.00 -0.39 0.00 0.00 57.03 56.70 1c20 h ASP 127 Cb 0.94 -0.29 -0.03 0.00 0.68 0.00 0.00 39.33 40.63 1c20 h ASP 127 CO 0.09 0.84 0.34 1.23 -1.61 0.00 0.00 179.24 180.12 1c20 h GLY 128 N 1.37 0.61 1.33 -0.78 0.00 -0.45 0.11 103.07 105.26 1c20 h GLY 128 Ca 0.37 -0.21 0.01 0.00 0.00 0.00 0.00 47.33 47.50 1c20 h GLY 128 CO -0.08 0.17 0.45 -0.57 0.00 0.00 0.00 176.54 176.51 1c20 h ASN 129 N 0.52 0.78 0.00 0.19 -0.00 -0.86 -3.51 115.58 112.69 1c20 h ASN 129 Ca 0.21 -0.02 0.00 0.00 -0.00 0.00 0.00 56.30 56.49 1c20 h ASN 129 Cb 0.19 -0.19 0.00 0.00 -0.00 0.00 0.00 38.32 38.32 1c20 h ASN 129 CO -0.06 0.56 0.00 -1.14 -0.00 0.00 0.00 177.43 176.80