#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 3.47 0.15 1.61 -0.11 -1.26 -5.08 118.94 117.72 1c20 s TRP 4 Ca 0.00 0.56 0.03 0.00 1.22 0.00 0.00 56.10 57.91 1c20 s TRP 4 Cb 0.00 -2.29 -0.05 0.00 -1.50 0.00 0.00 33.47 29.63 1c20 s TRP 4 CO 0.00 0.28 -0.05 -1.54 -4.62 0.00 0.00 176.95 171.02 1c20 s SER 5 N 0.34 1.45 0.16 5.86 1.04 -1.26 -5.06 113.70 116.23 1c20 s SER 5 Ca 0.15 -1.09 -0.14 0.00 0.48 0.00 0.00 55.95 55.35 1c20 s SER 5 Cb -0.13 0.06 0.05 0.00 0.10 0.00 0.00 66.02 66.10 1c20 s SER 5 CO 0.03 -0.46 1.79 0.15 0.98 0.00 0.00 173.24 175.72 1c20 h PHE 6 N 2.76 0.69 -0.08 5.02 3.57 -2.01 -2.66 116.94 124.24 1c20 h PHE 6 Ca -0.36 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.09 1c20 h PHE 6 Cb 1.19 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.70 1c20 h PHE 6 CO 0.59 0.50 -0.11 1.05 -2.23 0.00 0.00 178.31 178.11 1c20 h GLU 7 N 0.69 0.12 -0.55 1.11 4.11 -1.99 -1.94 114.58 116.13 1c20 h GLU 7 Ca 0.18 -0.02 -0.12 0.00 0.07 0.00 0.00 59.36 59.47 1c20 h GLU 7 Cb 0.02 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1c20 h GLU 7 CO -0.03 0.24 -0.11 0.93 0.07 0.00 0.00 179.01 180.10 1c20 h GLU 8 N 0.12 1.05 -0.48 1.06 4.39 -1.89 -1.75 114.58 117.08 1c20 h GLU 8 Ca 0.03 -0.39 -0.14 0.00 0.34 0.00 0.00 59.36 59.20 1c20 h GLU 8 Cb 0.27 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 1c20 h GLU 8 CO 0.02 1.09 -0.24 0.37 -1.16 0.00 0.00 179.01 179.08 1c20 h GLN 9 N 0.93 1.00 0.01 2.33 4.15 -1.32 -2.98 115.11 119.23 1c20 h GLN 9 Ca 0.14 -0.44 -0.00 0.00 0.77 0.00 0.00 58.65 59.12 1c20 h GLN 9 Cb 0.69 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.35 1c20 h GLN 9 CO 0.05 1.12 -0.00 0.35 -1.93 0.00 0.00 178.83 178.42 1c20 h PHE 10 N 0.86 -0.01 0.00 3.99 3.57 -1.15 -2.63 116.94 121.56 1c20 h PHE 10 Ca 0.11 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.60 1c20 h PHE 10 Cb 0.82 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.56 1c20 h PHE 10 CO 0.05 0.14 -0.05 1.57 -2.23 0.00 0.00 178.31 177.79 1c20 h LYS 11 N -0.16 0.00 -1.00 1.11 2.10 -1.35 -1.68 116.57 115.59 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 0.15 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.43 1c20 h LYS 11 CO 0.00 0.05 0.66 1.96 -2.00 0.00 0.00 179.45 180.12 1c20 h GLN 12 N 0.00 1.32 -0.47 0.07 4.20 -1.31 0.55 115.11 119.48 1c20 h GLN 12 Ca -0.00 -0.08 0.01 0.00 0.06 0.00 0.00 58.65 58.64 1c20 h GLN 12 Cb 0.09 -0.30 -0.02 0.00 0.30 0.00 0.00 27.48 27.55 1c20 h GLN 12 CO 0.01 0.88 0.31 -0.24 -0.67 0.00 0.00 178.83 179.12 1c20 h VAL 13 N 1.36 1.11 -0.72 -0.54 3.04 -1.25 0.75 116.25 119.99 1c20 h VAL 13 Ca 0.37 -0.21 0.05 0.00 -1.01 0.00 0.00 66.70 65.89 1c20 h VAL 13 Cb -0.15 0.44 -0.04 0.00 -2.01 0.00 0.00 31.29 29.52 1c20 h VAL 13 CO -0.08 0.11 0.48 -0.09 -1.01 0.00 0.00 177.57 176.98 1c20 h ARG 14 N 0.62 0.80 -0.23 4.17 2.43 -0.87 0.18 114.38 121.47 1c20 h ARG 14 Ca 0.18 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.30 1c20 h ARG 14 Cb -0.04 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.32 1c20 h ARG 14 CO -0.04 0.53 0.15 -0.56 -1.51 0.00 0.00 179.97 178.54 1c20 h GLN 15 N 0.82 0.29 -0.54 0.20 -0.00 -0.52 -0.88 115.11 114.47 1c20 h GLN 15 Ca 0.30 -0.02 -0.04 0.00 -0.00 0.00 0.00 58.65 58.89 1c20 h GLN 15 Cb 0.15 -0.06 -0.02 0.00 -0.00 0.00 0.00 27.48 27.54 1c20 h GLN 15 CO -0.09 0.19 0.19 -0.07 -0.00 0.00 0.00 178.83 179.05 1c20 h LEU 16 N 0.30 0.77 -0.82 0.06 3.38 -0.90 -2.45 115.31 115.66 1c20 h LEU 16 Ca 0.09 -0.19 -0.12 0.00 0.09 0.00 0.00 57.88 57.74 1c20 h LEU 16 Cb -0.02 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1c20 h LEU 16 CO -0.02 0.76 -0.47 1.88 0.09 0.00 0.00 178.44 180.67 1c20 h TYR 17 N 0.75 0.33 0.00 1.13 0.05 -1.25 -2.75 116.97 115.23 1c20 h TYR 17 Ca 0.18 -0.10 0.00 0.00 0.05 0.00 0.00 58.73 58.86 1c20 h TYR 17 Cb 0.25 -0.07 0.00 0.00 1.01 0.00 0.00 36.73 37.92 1c20 h TYR 17 CO 0.01 0.70 0.00 0.39 -1.05 0.00 0.00 178.16 178.21 1c20 n GLU 18 N -3.97 0.88 -0.25 4.88 1.02 -0.43 -3.83 120.64 118.95 1c20 n GLU 18 Ca -0.02 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.08 1c20 n GLU 18 Cb 0.53 -1.30 0.06 0.00 -0.02 0.00 0.00 31.44 30.71 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 1.14 -2.33 -3.67 2.04 -1.16 -3.47 117.51 110.06 1c20 h ILE 19 Ca 0.00 -0.31 0.21 0.00 1.00 0.00 0.00 64.86 65.77 1c20 h ILE 19 Cb 0.00 0.17 -0.05 0.00 -0.74 0.00 0.00 36.82 36.19 1c20 h ILE 19 CO 0.00 0.16 0.66 0.54 0.00 0.00 0.00 178.15 179.51 1c20 s ASN 20 N -5.78 -0.02 -0.09 1.72 2.20 -1.25 -5.01 114.94 106.70 1c20 s ASN 20 Ca -0.13 -0.50 0.12 0.00 -0.94 0.00 0.00 52.86 51.41 1c20 s ASN 20 Cb 0.15 0.40 0.50 0.00 -2.00 0.00 0.00 41.25 40.30 1c20 s ASN 20 CO 0.77 -0.78 1.34 -0.90 -2.94 0.00 0.00 177.10 174.58 1c20 n ASP 21 N -1.02 3.53 -4.67 3.54 5.75 -1.26 -4.90 116.55 117.52 1c20 n ASP 21 Ca -0.03 -2.37 -0.42 0.00 -0.01 0.00 0.00 54.79 51.96 1c20 n ASP 21 Cb 0.60 -0.51 -0.03 0.00 -1.03 0.00 0.00 41.12 40.15 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 0.62 4.12 -0.31 -1.12 -0.08 -1.26 -4.88 116.55 113.65 1c20 n ASP 22 Ca 0.18 0.92 -0.04 0.00 -1.51 0.00 0.00 54.79 54.33 1c20 n ASP 22 Cb 0.69 -1.52 0.08 0.00 2.34 0.00 0.00 41.12 42.71 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 10.25 1.15 -0.32 -0.67 0.14 -1.99 -2.48 132.00 138.07 1c20 h PRO 23 Ca -0.49 -0.11 0.00 0.00 0.14 0.00 0.00 66.00 65.54 1c20 h PRO 23 Cb 1.24 -0.24 -0.02 0.00 0.14 0.00 0.00 31.00 32.13 1c20 h PRO 23 CO 0.94 0.82 0.21 0.87 0.14 0.00 0.00 178.00 180.97 1c20 h LYS 24 N 1.16 0.41 -0.35 0.86 1.57 -1.98 0.29 116.57 118.53 1c20 h LYS 24 Ca 0.30 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 1c20 h LYS 24 Cb -0.03 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 1c20 h LYS 24 CO -0.05 0.27 0.23 -0.09 -0.57 0.00 0.00 179.45 179.24 1c20 h ARG 25 N 0.42 0.46 -0.08 3.15 2.43 -1.92 1.27 114.38 120.11 1c20 h ARG 25 Ca 0.12 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1c20 h ARG 25 Cb -0.04 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.40 1c20 h ARG 25 CO -0.03 0.30 0.06 -0.22 -1.51 0.00 0.00 179.97 178.57 1c20 h LYS 26 N 0.47 0.11 -0.52 0.20 3.64 -1.05 0.13 116.57 119.55 1c20 h LYS 26 Ca 0.13 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.47 1c20 h LYS 26 Cb -0.05 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.72 1c20 h LYS 26 CO -0.03 0.08 0.22 0.93 -2.27 0.00 0.00 179.45 178.38 1c20 h GLU 27 N 0.11 0.76 0.06 1.90 5.08 0.05 0.38 114.58 122.92 1c20 h GLU 27 Ca 0.03 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1c20 h GLU 27 Cb -0.01 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.11 1c20 h GLU 27 CO -0.01 0.65 -0.03 0.35 -1.00 0.00 0.00 179.01 178.98 1c20 h PHE 28 N 0.69 -0.07 -0.48 4.33 3.04 0.20 0.40 116.94 125.05 1c20 h PHE 28 Ca 0.17 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.12 1c20 h PHE 28 Cb 0.16 0.02 -0.02 0.00 2.56 0.00 0.00 35.95 38.68 1c20 h PHE 28 CO 0.00 -0.04 0.30 -0.07 -2.02 0.00 0.00 178.31 176.48 1c20 h LEU 29 N -0.08 0.57 -1.01 0.59 3.38 -0.59 0.38 115.31 118.54 1c20 h LEU 29 Ca -0.01 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 57.94 1c20 h LEU 29 Cb 0.06 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.62 1c20 h LEU 29 CO 0.01 0.43 0.67 0.44 0.09 0.00 0.00 178.44 180.08 1c20 h ASP 30 N 0.65 1.16 0.21 -0.43 3.32 -0.54 0.79 116.42 121.58 1c20 h ASP 30 Ca 0.17 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 1c20 h ASP 30 Cb -0.04 -0.29 0.00 0.00 0.22 0.00 0.00 39.33 39.22 1c20 h ASP 30 CO -0.04 0.84 -0.10 -0.78 -1.72 0.00 0.00 179.24 177.44 1c20 h ASP 31 N 1.36 -0.23 0.13 6.45 1.82 0.68 -2.34 116.42 124.30 1c20 h ASP 31 Ca 0.37 -0.30 -0.01 0.00 -0.39 0.00 0.00 57.03 56.71 1c20 h ASP 31 Cb -0.16 0.06 0.00 0.00 0.68 0.00 0.00 39.33 39.91 1c20 h ASP 31 CO -0.08 0.27 -0.06 0.25 -1.61 0.00 0.00 179.24 178.00 1c20 h LEU 32 N -0.84 -0.15 -1.01 2.28 5.85 -0.18 -2.16 115.31 119.11 1c20 h LEU 32 Ca -0.03 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.72 1c20 h LEU 32 Cb 0.52 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.53 1c20 h LEU 32 CO 0.05 -0.11 0.66 -0.26 -0.34 0.00 0.00 178.44 178.44 1c20 h PHE 33 N -0.18 1.25 -0.66 1.25 0.04 -0.96 -2.36 116.94 115.32 1c20 h PHE 33 Ca -0.02 0.03 0.01 0.00 2.80 0.00 0.00 57.97 60.79 1c20 h PHE 33 Cb 0.14 -0.42 -0.03 0.00 2.20 0.00 0.00 35.95 37.84 1c20 h PHE 33 CO -0.07 0.75 0.44 0.66 -0.60 0.00 0.00 178.31 179.49 1c20 h SER 34 N 1.32 0.76 0.86 2.17 4.64 -1.07 1.46 113.55 123.69 1c20 h SER 34 Ca 0.38 -0.02 -0.04 0.00 -0.47 0.00 0.00 61.79 61.64 1c20 h SER 34 Cb -0.08 -0.19 0.01 0.00 -0.31 0.00 0.00 62.40 61.83 1c20 h SER 34 CO -0.10 0.55 -0.44 0.15 -0.87 0.00 0.00 176.83 176.12 1c20 h PHE 35 N 0.89 -1.14 0.00 4.77 3.04 -0.87 -2.48 116.94 121.15 1c20 h PHE 35 Ca 0.24 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.17 1c20 h PHE 35 Cb -0.10 0.38 0.00 0.00 2.56 0.00 0.00 35.95 38.79 1c20 h PHE 35 CO -0.03 -0.69 0.00 0.00 -2.02 0.00 0.00 178.31 175.57 1c20 n MET 36 N -5.60 0.07 0.00 1.11 0.00 -1.07 -3.33 117.12 108.30 1c20 n MET 36 Ca -0.15 0.20 0.00 0.00 0.00 0.00 0.00 57.70 57.75 1c20 n MET 36 Cb 0.48 -1.60 0.00 0.00 0.00 0.00 0.00 33.22 32.09 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 -1.73 0.00 -0.31 3.17 7.27 0.50 -2.13 117.38 124.15 1c20 n GLN 37 Ca 0.05 0.30 0.15 0.00 0.07 0.00 0.00 57.00 57.57 1c20 n GLN 37 Cb 0.27 -1.68 0.34 0.00 2.41 0.00 0.00 30.24 31.57 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 0.30 -0.19 3.69 3.64 -1.71 2.05 116.57 124.35 1c20 h LYS 38 Ca 0.00 -0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.25 1c20 h LYS 38 Cb 0.36 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 1c20 h LYS 38 CO 0.00 0.20 -0.35 0.07 -2.27 0.00 0.00 179.45 177.10 1c20 h ARG 39 N 0.31 0.41 0.00 1.90 0.11 -1.77 -3.46 114.38 111.88 1c20 h ARG 39 Ca 0.59 -0.18 0.00 0.00 0.10 0.00 0.00 59.98 60.49 1c20 h ARG 39 Cb 1.21 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 32.28 1c20 h ARG 39 CO -0.59 0.71 0.00 0.41 0.10 0.00 0.00 179.97 180.59 1c20 n GLY 40 N -0.22 1.53 3.62 0.08 0.00 0.70 -5.07 105.19 105.83 1c20 n GLY 40 Ca -0.01 0.00 -0.24 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 -2.33 3.40 0.00 2.61 -4.23 -1.26 -5.01 115.64 108.82 1c20 s THR 41 Ca 0.00 -1.81 0.00 0.00 -1.18 0.00 0.00 61.69 58.70 1c20 s THR 41 Cb 0.00 -2.77 0.00 0.00 1.34 0.00 0.00 72.50 71.07 1c20 s THR 41 CO 0.00 -0.28 0.00 -0.81 -0.54 0.00 0.00 174.62 172.99 1c20 n PRO 42 N -0.57 2.42 0.00 3.99 -0.04 -1.26 -4.72 135.00 134.82 1c20 n PRO 42 Ca -0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 1c20 n PRO 42 Cb 0.58 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.04 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 -0.12 0.00 -0.07 0.52 0.13 -1.26 -4.95 119.36 113.62 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 -0.04 -0.10 0.00 -0.84 0.00 0.00 39.64 38.66 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 -5.10 9.51 -1.24 -1.94 -3.48 115.58 113.32 1c20 h ASN 44 Ca 0.00 -0.77 -0.06 0.00 0.71 0.00 0.00 56.30 56.18 1c20 h ASN 44 Cb 0.00 0.00 -0.13 0.00 0.73 0.00 0.00 38.32 38.92 1c20 h ASN 44 CO 0.00 0.96 -0.14 -0.13 -1.29 0.00 0.00 177.43 176.82 1c20 s ARG 45 N -2.12 1.03 -0.57 6.67 0.52 -1.26 -5.11 118.95 118.10 1c20 s ARG 45 Ca -0.17 -0.78 0.04 0.00 -0.52 0.00 0.00 55.73 54.30 1c20 s ARG 45 Cb -0.02 0.44 0.15 0.00 0.52 0.00 0.00 34.95 36.05 1c20 s ARG 45 CO 0.56 -0.39 0.37 -0.51 0.02 0.00 0.00 175.30 175.35 1c20 s LEU 46 N -2.82 3.80 0.68 2.53 1.43 -1.26 -5.11 118.68 117.93 1c20 s LEU 46 Ca 0.04 -3.31 -0.16 0.00 -1.03 0.00 0.00 54.13 49.67 1c20 s LEU 46 Cb 0.02 -1.35 0.01 0.00 0.03 0.00 0.00 46.19 44.91 1c20 s LEU 46 CO -0.11 -0.17 1.21 -2.84 0.23 0.00 0.00 176.35 174.68 1c20 s PRO 47 N -0.62 2.46 -0.16 1.29 0.02 -1.26 -4.94 135.00 131.80 1c20 s PRO 47 Ca 0.23 1.80 -0.04 0.00 0.02 0.00 0.00 61.00 63.01 1c20 s PRO 47 Cb -0.12 -1.87 -0.03 0.00 0.02 0.00 0.00 34.50 32.50 1c20 s PRO 47 CO -0.10 -1.60 -0.03 0.42 -0.33 0.00 0.00 177.00 175.37 1c20 s ILE 48 N -1.82 3.96 -0.31 2.83 -1.09 -1.26 -3.11 121.20 120.39 1c20 s ILE 48 Ca 0.76 -0.33 -0.17 0.00 -2.23 0.00 0.00 60.65 58.68 1c20 s ILE 48 Cb -0.30 -2.74 -0.02 0.00 -1.58 0.00 0.00 42.46 37.82 1c20 s ILE 48 CO 0.41 0.49 0.45 -0.04 -1.23 0.00 0.00 174.94 175.02 1c20 s MET 49 N 0.37 3.79 0.00 2.79 -1.94 0.25 -4.90 119.30 119.66 1c20 s MET 49 Ca -0.04 -0.08 0.00 0.00 -1.71 0.00 0.00 55.69 53.87 1c20 s MET 49 Cb -0.14 -3.74 0.00 0.00 2.01 0.00 0.00 34.83 32.96 1c20 s MET 49 CO 0.03 -0.48 0.00 0.00 -0.01 0.00 0.00 175.02 174.56 1c20 n ALA 50 N 5.54 0.00 0.00 3.03 0.00 -1.26 0.25 120.51 128.06 1c20 n ALA 50 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1c20 n ALA 50 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 1c20 n ALA 50 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1c20 n LYS 51 N 0.00 4.75 -2.88 0.00 2.85 -1.26 -5.04 118.16 116.57 1c20 n LYS 51 Ca 0.00 0.00 -0.19 0.00 -1.05 0.00 0.00 58.31 57.07 1c20 n LYS 51 Cb 0.00 -0.60 0.04 0.00 -0.65 0.00 0.00 35.03 33.82 1c20 n LYS 51 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 1c20 s SER 52 N -1.18 5.32 -0.01 -5.58 1.04 0.68 -5.12 113.70 108.85 1c20 s SER 52 Ca 0.00 -0.41 0.08 0.00 0.48 0.00 0.00 55.95 56.10 1c20 s SER 52 Cb 0.00 -0.44 -0.02 0.00 0.10 0.00 0.00 66.02 65.66 1c20 s SER 52 CO 0.00 -1.09 -0.26 -0.69 0.98 0.00 0.00 173.24 172.18 1c20 s VAL 53 N -2.59 2.06 -0.46 5.02 1.01 -1.26 0.87 120.40 125.05 1c20 s VAL 53 Ca 0.58 -1.15 -0.27 0.00 0.00 0.00 0.00 61.98 61.14 1c20 s VAL 53 Cb -0.09 -1.72 -0.05 0.00 0.00 0.00 0.00 36.38 34.52 1c20 s VAL 53 CO 0.37 0.55 2.21 -0.22 0.00 0.00 0.00 175.10 178.00 1c20 s LEU 54 N -0.71 3.40 -0.07 3.92 2.96 -1.18 -4.83 118.68 122.17 1c20 s LEU 54 Ca 0.10 1.08 -0.30 0.00 -0.22 0.00 0.00 54.13 54.79 1c20 s LEU 54 Cb -0.10 -2.77 -0.05 0.00 0.50 0.00 0.00 46.19 43.77 1c20 s LEU 54 CO -0.01 -2.52 1.51 -0.62 -1.32 0.00 0.00 176.35 173.39 1c20 s ASP 55 N 10.13 6.77 0.35 3.68 -1.08 -1.26 -4.88 116.67 130.39 1c20 s ASP 55 Ca 0.90 2.09 0.02 0.00 -0.52 0.00 0.00 52.55 55.04 1c20 s ASP 55 Cb -0.19 -2.54 0.65 0.00 -1.46 0.00 0.00 42.92 39.37 1c20 s ASP 55 CO 0.27 -0.85 2.01 -0.07 0.52 0.00 0.00 175.17 177.06 1c20 h LEU 56 N 9.70 0.72 -1.07 -1.34 3.38 -2.01 -2.34 115.31 122.35 1c20 h LEU 56 Ca -0.36 -0.02 0.09 0.00 0.09 0.00 0.00 57.88 57.68 1c20 h LEU 56 Cb 1.16 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 41.66 1c20 h LEU 56 CO 0.95 0.52 0.62 0.22 0.09 0.00 0.00 178.44 180.84 1c20 h TYR 57 N 0.85 1.11 -0.83 1.13 5.03 -2.01 -2.39 116.97 119.86 1c20 h TYR 57 Ca 0.23 0.03 0.01 0.00 2.58 0.00 0.00 58.73 61.58 1c20 h TYR 57 Cb -0.10 -0.36 -0.04 0.00 1.55 0.00 0.00 36.73 37.78 1c20 h TYR 57 CO -0.00 0.52 0.55 0.93 -1.32 0.00 0.00 178.16 178.85 1c20 h GLU 58 N 1.04 1.10 -0.39 1.82 5.08 -1.81 -2.22 114.58 119.20 1c20 h GLU 58 Ca 0.44 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.74 1c20 h GLU 58 Cb 0.32 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 1c20 h GLU 58 CO -0.20 0.73 0.26 1.25 -1.00 0.00 0.00 179.01 180.05 1c20 h LEU 59 N 1.13 0.45 0.04 1.33 5.85 -1.53 -2.58 115.31 120.00 1c20 h LEU 59 Ca 0.31 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 59.01 1c20 h LEU 59 Cb -0.13 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 40.79 1c20 h LEU 59 CO -0.07 0.32 -0.02 0.22 -0.34 0.00 0.00 178.44 178.56 1c20 h TYR 60 N 0.53 -0.05 -0.99 1.25 3.20 -1.39 -2.77 116.97 116.75 1c20 h TYR 60 Ca 0.14 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.02 1c20 h TYR 60 Cb -0.06 0.02 -0.05 0.00 1.54 0.00 0.00 36.73 38.18 1c20 h TYR 60 CO -0.05 -0.01 0.66 -0.91 -1.64 0.00 0.00 178.16 176.21 1c20 h ASN 61 N -0.07 1.14 -0.83 -2.11 2.35 -1.31 -2.17 115.58 112.57 1c20 h ASN 61 Ca -0.01 -0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 55.68 1c20 h ASN 61 Cb 0.06 -0.29 -0.04 0.00 0.05 0.00 0.00 38.32 38.11 1c20 h ASN 61 CO 0.01 0.83 0.38 -0.07 -1.65 0.00 0.00 177.43 176.92 1c20 h LEU 62 N 1.35 1.11 0.37 1.61 3.38 -1.36 0.52 115.31 122.29 1c20 h LEU 62 Ca 0.36 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 58.17 1c20 h LEU 62 Cb -0.15 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.31 1c20 h LEU 62 CO -0.08 0.96 -0.18 0.58 0.09 0.00 0.00 178.44 179.81 1c20 h VAL 63 N 1.20 0.54 -0.80 1.22 2.07 -1.15 -3.14 116.25 116.18 1c20 h VAL 63 Ca 0.28 -0.60 -0.04 0.00 0.82 0.00 0.00 66.70 67.16 1c20 h VAL 63 Cb 0.16 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 30.68 1c20 h VAL 63 CO -0.03 0.10 0.33 0.40 0.02 0.00 0.00 177.57 178.38 1c20 h ILE 64 N -0.88 1.26 0.00 4.57 1.08 -1.41 -1.46 117.51 120.68 1c20 h ILE 64 Ca -0.05 -0.81 0.00 0.00 -0.39 0.00 0.00 64.86 63.61 1c20 h ILE 64 Cb 0.54 0.30 0.00 0.00 -3.07 0.00 0.00 36.82 34.59 1c20 h ILE 64 CO 0.08 0.33 0.36 0.00 -0.69 0.00 0.00 178.15 178.23 1c20 h ALA 65 N 1.17 1.36 0.00 1.87 0.00 -0.91 0.12 119.26 122.87 1c20 h ALA 65 Ca 0.27 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.99 1c20 h ALA 65 Cb 0.20 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1c20 h ALA 65 CO -0.02 -0.36 -2.01 0.54 0.00 0.00 0.00 179.25 177.40 1c20 n ARG 66 N -2.86 0.66 0.00 0.00 1.74 -0.57 -4.99 116.66 110.64 1c20 n ARG 66 Ca -0.02 -0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.04 1c20 n ARG 66 Cb 0.40 -1.59 0.00 0.00 -1.02 0.00 0.00 32.46 30.25 1c20 n ARG 66 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1c20 n GLY 67 N 1.49 0.91 0.00 -0.13 0.00 0.42 -5.04 105.19 102.83 1c20 n GLY 67 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 4.25 0.18 -0.02 0.00 -1.12 -4.82 105.19 103.66 1c20 n GLY 68 Ca 0.00 -1.06 -0.08 0.00 0.00 0.00 0.00 46.02 44.88 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 0.46 -0.96 0.99 5.85 -1.96 -1.78 115.31 117.91 1c20 h LEU 69 Ca 0.00 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 1c20 h LEU 69 Cb 0.00 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 40.87 1c20 h LEU 69 CO 0.00 0.33 0.58 0.58 -0.34 0.00 0.00 178.44 179.59 1c20 h VAL 70 N 0.55 1.26 -1.00 1.05 2.07 -1.98 0.50 116.25 118.70 1c20 h VAL 70 Ca 0.15 -0.56 0.01 0.00 0.82 0.00 0.00 66.70 67.12 1c20 h VAL 70 Cb -0.06 -0.09 -0.05 0.00 -1.52 0.00 0.00 31.29 29.57 1c20 h VAL 70 CO -0.04 0.27 0.66 -0.78 0.02 0.00 0.00 177.57 177.71 1c20 h ASP 71 N 1.32 1.16 -0.04 0.57 1.82 -1.73 0.20 116.42 119.72 1c20 h ASP 71 Ca 0.34 -0.03 -0.01 0.00 -0.39 0.00 0.00 57.03 56.94 1c20 h ASP 71 Cb -0.06 -0.29 -0.00 0.00 0.68 0.00 0.00 39.33 39.66 1c20 h ASP 71 CO -0.06 0.84 -0.00 0.58 -1.61 0.00 0.00 179.24 178.98 1c20 h VAL 72 N 1.36 1.27 0.15 2.25 2.07 -0.41 -0.84 116.25 122.10 1c20 h VAL 72 Ca 0.37 -0.81 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 1c20 h VAL 72 Cb -0.16 1.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 1c20 h VAL 72 CO -0.08 0.22 -0.07 0.40 0.02 0.00 0.00 177.57 178.06 1c20 h ILE 73 N -0.24 0.91 -0.22 4.57 2.04 -0.51 2.03 117.51 126.09 1c20 h ILE 73 Ca 0.01 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.63 1c20 h ILE 73 Cb 0.35 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 1c20 h ILE 73 CO 0.00 0.06 0.14 -1.13 0.00 0.00 0.00 178.15 177.23 1c20 h ASN 74 N -0.32 0.25 -0.01 1.72 -0.73 -0.65 -2.01 115.58 113.83 1c20 h ASN 74 Ca -0.02 -0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.14 1c20 h ASN 74 Cb 0.25 -0.06 0.00 0.00 0.27 0.00 0.00 38.32 38.78 1c20 h ASN 74 CO 0.03 0.19 -0.00 0.29 -0.37 0.00 0.00 177.43 177.57 1c20 n LYS 75 N -4.93 1.57 -3.62 6.67 5.02 -0.32 -4.73 118.16 117.81 1c20 n LYS 75 Ca -0.03 -0.84 -0.28 0.00 -2.02 0.00 0.00 58.31 55.15 1c20 n LYS 75 Cb 0.03 -1.48 0.04 0.00 -0.02 0.00 0.00 35.03 33.59 1c20 n LYS 75 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1c20 n LYS 76 N 0.02 -1.26 -0.26 1.97 4.81 0.67 -4.85 118.16 119.26 1c20 n LYS 76 Ca 0.20 0.60 0.08 0.00 -0.87 0.00 0.00 58.31 58.31 1c20 n LYS 76 Cb 0.32 -4.11 0.23 0.00 0.02 0.00 0.00 35.03 31.49 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 -3.77 2.71 0.27 3.14 4.77 0.23 -4.28 117.00 120.07 1c20 n LEU 77 Ca -0.11 -1.35 0.09 0.00 -0.03 0.00 0.00 56.01 54.61 1c20 n LEU 77 Cb 0.59 -0.34 0.49 0.00 -2.33 0.00 0.00 43.42 41.84 1c20 n LEU 77 CO 0.65 0.68 0.98 -0.50 -1.33 0.00 0.00 177.39 177.87 1c20 h TRP 78 N 2.97 0.00 -1.01 -1.77 4.06 -1.89 0.32 115.95 118.64 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 0.68 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 28.79 1c20 h TRP 78 CO 0.34 0.00 0.67 1.96 -3.56 0.00 0.00 178.44 177.85 1c20 h GLN 79 N 0.00 1.33 0.03 0.49 1.08 -1.97 0.10 115.11 116.16 1c20 h GLN 79 Ca 0.00 -0.08 -0.00 0.00 -1.45 0.00 0.00 58.65 57.12 1c20 h GLN 79 Cb 0.92 -0.30 0.00 0.00 -0.05 0.00 0.00 27.48 28.05 1c20 h GLN 79 CO 0.00 0.88 -0.01 0.93 -0.95 0.00 0.00 178.83 179.68 1c20 h GLU 80 N 1.37 -0.03 -0.11 1.46 5.08 -0.71 1.71 114.58 123.34 1c20 h GLU 80 Ca 0.37 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.73 1c20 h GLU 80 Cb -0.16 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.10 1c20 h GLU 80 CO -0.08 0.06 0.05 0.82 -1.00 0.00 0.00 179.01 178.86 1c20 h ILE 81 N -0.12 1.13 -1.00 3.13 2.04 -1.60 1.25 117.51 122.35 1c20 h ILE 81 Ca -0.00 -0.39 0.01 0.00 1.00 0.00 0.00 64.86 65.48 1c20 h ILE 81 Cb 0.11 1.19 -0.05 0.00 -0.74 0.00 0.00 36.82 37.33 1c20 h ILE 81 CO 0.01 0.12 0.66 0.40 0.00 0.00 0.00 178.15 179.33 1c20 h ILE 82 N 0.04 1.26 0.00 -0.67 2.04 -0.64 0.72 117.51 120.25 1c20 h ILE 82 Ca 0.04 -0.47 -0.04 0.00 1.00 0.00 0.00 64.86 65.39 1c20 h ILE 82 Cb 0.14 -0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.00 1c20 h ILE 82 CO -0.00 0.25 -0.18 0.50 0.00 0.00 0.00 178.15 178.72 1c20 h LYS 83 N 1.35 0.00 -0.29 2.37 3.64 0.34 0.56 116.57 124.54 1c20 h LYS 83 Ca 0.37 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.75 1c20 h LYS 83 Cb -0.16 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.66 1c20 h LYS 83 CO -0.08 0.18 0.00 0.41 -2.27 0.00 0.00 179.45 177.69 1c20 n GLY 84 N -0.48 0.35 0.39 5.01 0.00 0.42 -4.90 105.19 105.98 1c20 n GLY 84 Ca -0.01 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1c20 n GLY 84 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1c20 n LEU 85 N 0.34 0.00 0.00 0.99 -0.00 0.19 -4.57 117.00 113.96 1c20 n LEU 85 Ca 0.10 0.00 0.12 0.00 -0.00 0.00 0.00 56.01 56.22 1c20 n LEU 85 Cb 0.24 0.00 0.62 0.00 -0.00 0.00 0.00 43.42 44.28 1c20 n LEU 85 CO 0.07 0.00 0.89 1.41 -0.00 0.00 0.00 177.39 179.75 1c20 n HIS 86 N -0.11 0.00 -1.96 1.47 8.25 -1.26 -4.76 115.22 116.85 1c20 n HIS 86 Ca 0.00 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.12 1c20 n HIS 86 Cb 0.00 -0.21 0.03 0.00 1.12 0.00 0.00 29.99 30.93 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 -2.42 3.52 0.00 2.41 2.01 -1.26 -4.99 118.68 117.94 1c20 s LEU 87 Ca 0.26 2.03 0.00 0.00 0.01 0.00 0.00 54.13 56.42 1c20 s LEU 87 Cb 0.16 -4.56 0.00 0.00 0.01 0.00 0.00 46.19 41.80 1c20 s LEU 87 CO 0.34 -1.43 0.71 -2.65 1.01 0.00 0.00 176.35 174.32 1c20 n PRO 88 N -2.01 0.00 -2.01 1.29 -0.01 -1.26 -3.55 135.00 127.45 1c20 n PRO 88 Ca 0.10 0.46 -0.32 0.00 -0.01 0.00 0.00 63.50 63.74 1c20 n PRO 88 Cb 0.52 -1.21 0.03 0.00 -0.01 0.00 0.00 33.50 32.83 1c20 n PRO 88 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 175.50 175.94 1c20 n SER 89 N -1.48 6.20 -3.60 2.55 2.88 -1.26 -4.87 113.62 114.03 1c20 n SER 89 Ca 0.00 -3.78 -0.26 0.00 -1.33 0.00 0.00 58.87 53.51 1c20 n SER 89 Cb 0.00 -0.73 0.04 0.00 -0.75 0.00 0.00 64.21 62.78 1c20 n SER 89 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1c20 n SER 90 N -0.62 -4.57 -4.20 -3.46 3.41 -1.23 -4.61 113.62 98.33 1c20 n SER 90 Ca 0.49 -0.91 -0.59 0.00 -0.26 0.00 0.00 58.87 57.60 1c20 n SER 90 Cb 0.58 -3.91 -0.12 0.00 -0.26 0.00 0.00 64.21 60.51 1c20 n SER 90 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1c20 n ILE 91 N -4.00 0.00 0.42 -1.33 5.41 -1.26 -4.67 119.36 113.93 1c20 n ILE 91 Ca -0.14 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.61 1c20 n ILE 91 Cb 0.62 -0.49 0.00 0.00 -0.71 0.00 0.00 39.64 39.06 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 6.29 0.38 -2.00 1.39 -2.24 -1.26 -1.60 114.28 115.25 1c20 n THR 92 Ca 0.53 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 62.31 1c20 n THR 92 Cb -0.04 -0.66 -0.00 0.00 -2.10 0.00 0.00 70.33 67.52 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 0.74 -0.01 -0.33 3.42 3.41 -1.26 -4.96 113.62 114.63 1c20 n SER 93 Ca 0.00 -1.06 -0.04 0.00 -0.26 0.00 0.00 58.87 57.52 1c20 n SER 93 Cb 0.20 -0.00 0.09 0.00 -0.26 0.00 0.00 64.21 64.23 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 0.00 1.14 -0.18 7.33 0.00 -1.65 0.26 119.26 126.16 1c20 h ALA 94 Ca -0.01 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.83 1c20 h ALA 94 Cb 1.02 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 1c20 h ALA 94 CO -0.00 0.59 0.00 0.00 0.00 0.00 0.00 179.25 179.84 1c20 h ALA 95 N 1.30 0.15 -0.29 0.00 0.00 -1.92 1.69 119.26 120.19 1c20 h ALA 95 Ca 0.32 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.22 1c20 h ALA 95 Cb -0.06 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1c20 h ALA 95 CO -0.06 -0.44 -0.03 0.35 0.00 0.00 0.00 179.25 179.07 1c20 h PHE 96 N 0.06 0.60 -0.35 0.00 3.57 -1.86 -1.64 116.94 117.32 1c20 h PHE 96 Ca 0.08 -0.12 -0.14 0.00 3.53 0.00 0.00 57.97 61.33 1c20 h PHE 96 Cb 0.10 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 1c20 h PHE 96 CO -0.16 0.71 -0.32 1.15 -2.23 0.00 0.00 178.31 177.46 1c20 h THR 97 N 0.32 1.28 -0.01 4.41 2.02 -0.07 -2.59 112.91 118.27 1c20 h THR 97 Ca 0.08 -1.48 -0.00 0.00 0.77 0.00 0.00 66.41 65.77 1c20 h THR 97 Cb 0.49 1.44 -0.00 0.00 -1.74 0.00 0.00 68.15 68.34 1c20 h THR 97 CO 0.02 0.49 0.00 -0.07 0.37 0.00 0.00 175.52 176.33 1c20 h LEU 98 N 0.63 0.02 -1.01 2.58 3.38 0.25 -0.29 115.31 120.88 1c20 h LEU 98 Ca 0.06 -0.31 0.01 0.00 0.09 0.00 0.00 57.88 57.73 1c20 h LEU 98 Cb 0.90 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.59 1c20 h LEU 98 CO 0.08 0.33 0.66 0.08 0.09 0.00 0.00 178.44 179.68 1c20 h ARG 99 N -0.28 1.33 0.00 1.13 0.11 -1.35 0.19 114.38 115.51 1c20 h ARG 99 Ca 0.00 -0.08 -0.19 0.00 0.10 0.00 0.00 59.98 59.81 1c20 h ARG 99 Cb 0.31 -0.30 0.02 0.00 1.11 0.00 0.00 29.97 31.11 1c20 h ARG 99 CO 0.00 0.88 -0.74 0.00 0.10 0.00 0.00 179.97 180.21 1c20 h THR 100 N 1.37 1.38 -0.30 0.08 1.03 -1.42 -2.08 112.91 112.97 1c20 h THR 100 Ca 0.37 -2.14 -0.13 0.00 -0.01 0.00 0.00 66.41 64.50 1c20 h THR 100 Cb -0.15 2.54 -0.00 0.00 -1.07 0.00 0.00 68.15 69.46 1c20 h THR 100 CO -0.08 0.63 -0.33 1.56 -0.01 0.00 0.00 175.52 177.29 1c20 h GLN 101 N 0.04 0.75 -0.56 0.00 1.08 -0.91 -0.32 115.11 115.19 1c20 h GLN 101 Ca -0.09 -0.41 0.01 0.00 -1.45 0.00 0.00 58.65 56.70 1c20 h GLN 101 Cb 1.44 0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 28.86 1c20 h GLN 101 CO 0.15 1.04 0.37 -0.92 -0.95 0.00 0.00 178.83 178.51 1c20 h TYR 102 N 0.51 0.71 -0.21 2.96 5.03 -0.72 -1.23 116.97 124.02 1c20 h TYR 102 Ca 0.04 0.02 -0.04 0.00 2.58 0.00 0.00 58.73 61.33 1c20 h TYR 102 Cb 0.92 -0.24 -0.01 0.00 1.55 0.00 0.00 36.73 38.94 1c20 h TYR 102 CO 0.07 0.45 -0.06 1.98 -1.32 0.00 0.00 178.16 179.28 1c20 h MET 103 N 0.76 0.32 -1.01 1.82 4.05 -1.19 1.07 114.93 120.76 1c20 h MET 103 Ca 0.21 -0.06 0.01 0.00 -0.28 0.00 0.00 59.70 59.57 1c20 h MET 103 Cb -0.09 -0.05 -0.05 0.00 -0.80 0.00 0.00 31.60 30.62 1c20 h MET 103 CO -0.04 0.40 0.67 -0.22 0.23 0.00 0.00 176.91 177.95 1c20 h LYS 104 N 0.31 1.33 0.00 0.39 1.63 0.21 -3.38 116.57 117.05 1c20 h LYS 104 Ca 0.07 -0.08 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1c20 h LYS 104 Cb 0.31 -0.30 0.00 0.00 -0.60 0.00 0.00 32.23 31.64 1c20 h LYS 104 CO 0.01 0.88 0.00 0.66 -3.45 0.00 0.00 179.45 177.55 1c20 n TYR 105 N -4.38 0.00 0.36 1.91 4.01 -1.11 -4.91 117.16 113.03 1c20 n TYR 105 Ca 0.12 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.91 1c20 n TYR 105 Cb 0.01 0.01 -0.07 0.00 -0.31 0.00 0.00 39.34 38.98 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 0.36 -0.01 7.72 4.77 0.36 -4.43 117.00 125.77 1c20 n LEU 106 Ca 0.00 -0.36 -0.13 0.00 -0.03 0.00 0.00 56.01 55.49 1c20 n LEU 106 Cb 0.17 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.24 1c20 n LEU 106 CO 0.00 0.09 0.35 0.22 -1.33 0.00 0.00 177.39 176.72 1c20 h TYR 107 N 0.00 0.87 -0.14 -1.77 3.20 -1.33 -1.90 116.97 115.89 1c20 h TYR 107 Ca 0.00 -0.36 -0.18 0.00 3.14 0.00 0.00 58.73 61.33 1c20 h TYR 107 Cb 0.32 -0.14 -0.00 0.00 1.54 0.00 0.00 36.73 38.44 1c20 h TYR 107 CO 0.00 1.15 -0.64 -1.00 -1.64 0.00 0.00 178.16 176.03 1c20 h PRO 108 N 0.47 0.53 -0.15 1.82 0.14 -1.85 -2.62 132.00 130.34 1c20 h PRO 108 Ca -0.03 -0.38 -0.02 0.00 0.14 0.00 0.00 66.00 65.72 1c20 h PRO 108 Cb 1.29 0.06 -0.01 0.00 0.14 0.00 0.00 31.00 32.48 1c20 h PRO 108 CO 0.14 1.00 0.02 -0.92 0.14 0.00 0.00 178.00 178.37 1c20 h TYR 109 N 0.39 0.28 -0.83 1.56 3.20 -1.76 -1.61 116.97 118.19 1c20 h TYR 109 Ca -0.01 -0.04 0.08 0.00 3.14 0.00 0.00 58.73 61.89 1c20 h TYR 109 Cb 1.20 -0.07 -0.07 0.00 1.54 0.00 0.00 36.73 39.33 1c20 h TYR 109 CO 0.05 0.44 0.49 1.49 -1.64 0.00 0.00 178.16 179.00 1c20 h GLU 110 N 0.03 0.84 -0.73 1.82 4.81 -1.34 -1.47 114.58 118.55 1c20 h GLU 110 Ca 0.05 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.16 1c20 h GLU 110 Cb 0.32 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.48 1c20 h GLU 110 CO 0.00 0.56 0.20 0.00 -0.73 0.00 0.00 179.01 179.04 1c20 h GLU 112 N 1.09 1.12 -0.34 0.00 4.22 -0.28 2.64 114.58 123.03 1c20 h GLU 112 Ca 0.23 -0.31 -0.15 0.00 0.08 0.00 0.00 59.36 59.22 1c20 h GLU 112 Cb 0.34 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 1c20 h GLU 112 CO -0.00 1.03 -0.37 0.87 -2.18 0.00 0.00 179.01 178.35 1c20 h LYS 113 N 1.04 0.86 0.00 1.92 1.57 -1.28 -3.39 116.57 117.29 1c20 h LYS 113 Ca 0.20 -0.46 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 1c20 h LYS 113 Cb 0.46 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.79 1c20 h LYS 113 CO 0.01 1.10 0.00 1.63 -0.57 0.00 0.00 179.45 181.63 1c20 n LYS 114 N -4.12 0.93 -3.65 3.15 4.01 -1.03 -5.04 118.16 112.40 1c20 n LYS 114 Ca -0.03 -0.08 -0.25 0.00 -0.51 0.00 0.00 58.31 57.44 1c20 n LYS 114 Cb 0.53 -0.40 0.04 0.00 -0.51 0.00 0.00 35.03 34.69 1c20 n LYS 114 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 1c20 n ASN 115 N -0.15 -3.69 -0.38 4.39 2.85 0.88 -4.84 115.26 114.32 1c20 n ASN 115 Ca 0.00 -0.91 -0.02 0.00 -0.11 0.00 0.00 54.58 53.54 1c20 n ASN 115 Cb 0.09 -3.82 0.11 0.00 1.24 0.00 0.00 39.78 37.40 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 -1.76 1.15 0.00 1.20 3.38 -1.78 -3.47 115.31 114.03 1c20 h LEU 116 Ca -0.64 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.30 1c20 h LEU 116 Cb 1.35 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1c20 h LEU 116 CO 0.52 0.84 0.00 -1.54 0.09 0.00 0.00 178.44 178.34 1c20 n SER 117 N -4.38 0.00 -4.30 -0.43 3.41 -1.26 -5.08 113.62 101.58 1c20 n SER 117 Ca 0.12 -0.92 -0.22 0.00 -0.26 0.00 0.00 58.87 57.58 1c20 n SER 117 Cb 0.01 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 63.84 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 -2.91 1.70 0.61 6.66 -4.23 -1.26 -4.93 115.64 111.28 1c20 s THR 118 Ca 0.00 -1.70 0.21 0.00 -1.18 0.00 0.00 61.69 59.02 1c20 s THR 118 Cb 0.00 -1.65 0.21 0.00 1.34 0.00 0.00 72.50 72.40 1c20 s THR 118 CO 0.00 -0.20 1.63 -0.65 -0.54 0.00 0.00 174.62 174.87 1c20 h PRO 119 N 3.71 0.00 0.56 3.99 0.10 -1.99 -1.43 132.00 136.95 1c20 h PRO 119 Ca -0.44 0.00 -0.03 0.00 0.10 0.00 0.00 66.00 65.63 1c20 h PRO 119 Cb 1.19 0.00 0.01 0.00 0.10 0.00 0.00 31.00 32.30 1c20 h PRO 119 CO 0.45 0.00 -0.27 0.00 0.10 0.00 0.00 178.00 178.28 1c20 h ALA 120 N 0.98 -0.76 0.00 -0.75 0.00 -2.01 -2.88 119.26 113.84 1c20 h ALA 120 Ca 0.00 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 1c20 h ALA 120 Cb 0.99 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 1c20 h ALA 120 CO 0.00 -0.70 -0.26 1.05 0.00 0.00 0.00 179.25 179.34 1c20 h GLU 121 N -1.20 0.00 -0.85 0.00 -0.00 -1.73 -2.56 114.58 108.24 1c20 h GLU 121 Ca -0.08 0.00 0.01 0.00 -0.00 0.00 0.00 59.36 59.29 1c20 h GLU 121 Cb 0.58 0.00 -0.04 0.00 -0.00 0.00 0.00 28.75 29.29 1c20 h GLU 121 CO 0.13 0.26 0.56 1.25 -0.00 0.00 0.00 179.01 181.21 1c20 h LEU 122 N 0.00 0.97 -1.01 3.06 5.85 -1.32 0.10 115.31 122.96 1c20 h LEU 122 Ca -0.00 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.70 1c20 h LEU 122 Cb 0.66 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.40 1c20 h LEU 122 CO 0.03 0.71 0.67 -0.61 -0.34 0.00 0.00 178.44 178.90 1c20 h GLN 123 N 1.15 1.33 -0.90 1.25 5.75 -1.23 0.15 115.11 122.61 1c20 h GLN 123 Ca 0.31 -0.08 0.01 0.00 -0.15 0.00 0.00 58.65 58.74 1c20 h GLN 123 Cb -0.13 -0.30 -0.04 0.00 1.07 0.00 0.00 27.48 28.07 1c20 h GLN 123 CO -0.07 0.88 0.58 0.00 -2.65 0.00 0.00 178.83 177.58 1c20 h ALA 124 N 1.37 1.34 -0.47 3.38 0.00 -1.01 0.39 119.26 124.25 1c20 h ALA 124 Ca 0.37 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 55.09 1c20 h ALA 124 Cb -0.16 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.25 1c20 h ALA 124 CO -0.08 0.61 -0.18 0.00 0.00 0.00 0.00 179.25 179.60 1c20 h ALA 125 N 1.42 0.65 -0.37 0.00 0.00 0.76 -0.76 119.26 120.95 1c20 h ALA 125 Ca 0.33 -0.37 -0.16 0.00 0.00 0.00 0.00 54.91 54.70 1c20 h ALA 125 Cb -0.12 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1c20 h ALA 125 CO -0.07 0.61 -0.41 0.82 0.00 0.00 0.00 179.25 180.20 1c20 h ILE 126 N 0.79 1.27 -1.00 0.00 2.04 -0.07 -2.81 117.51 117.74 1c20 h ILE 126 Ca 0.11 -1.58 0.01 0.00 1.00 0.00 0.00 64.86 64.39 1c20 h ILE 126 Cb 0.75 1.41 -0.05 0.00 -0.74 0.00 0.00 36.82 38.19 1c20 h ILE 126 CO 0.06 0.53 0.65 0.44 0.00 0.00 0.00 178.15 179.83 1c20 h ASP 127 N 0.76 1.15 -0.97 1.72 3.32 -0.10 -1.69 116.42 120.61 1c20 h ASP 127 Ca 0.06 -0.04 0.13 0.00 0.02 0.00 0.00 57.03 57.20 1c20 h ASP 127 Cb 1.01 -0.29 -0.08 0.00 0.22 0.00 0.00 39.33 40.19 1c20 h ASP 127 CO 0.10 0.84 0.61 1.23 -1.72 0.00 0.00 179.24 180.30 1c20 h GLY 128 N 1.36 1.51 1.01 2.75 0.00 -0.87 0.49 103.07 109.31 1c20 h GLY 128 Ca 0.36 -0.38 0.01 0.00 0.00 0.00 0.00 47.33 47.33 1c20 h GLY 128 CO -0.08 0.12 0.66 3.43 0.00 0.00 0.00 176.54 180.68 1c20 h ASN 129 N 0.88 1.15 -0.03 0.19 2.35 -1.23 -3.52 115.58 115.37 1c20 h ASN 129 Ca 0.49 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 56.21 1c20 h ASN 129 Cb 0.60 -0.29 0.00 0.00 0.05 0.00 0.00 38.32 38.68 1c20 h ASN 129 CO -0.25 0.83 0.00 -1.14 -1.65 0.00 0.00 177.43 175.22