#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 3.50 0.25 1.61 -0.11 -1.26 -5.02 118.94 117.91 1c20 s TRP 4 Ca 0.00 1.43 -0.30 0.00 1.22 0.00 0.00 56.10 58.45 1c20 s TRP 4 Cb 0.00 -3.06 -0.09 0.00 -1.50 0.00 0.00 33.47 28.82 1c20 s TRP 4 CO 0.00 -0.16 0.95 -1.54 -4.62 0.00 0.00 176.95 171.57 1c20 s SER 5 N 1.07 7.60 0.15 5.86 1.04 -1.26 -4.97 113.70 123.19 1c20 s SER 5 Ca 0.43 1.95 -0.11 0.00 0.48 0.00 0.00 55.95 58.70 1c20 s SER 5 Cb -0.18 -2.61 -0.03 0.00 0.10 0.00 0.00 66.02 63.30 1c20 s SER 5 CO 0.17 0.12 1.49 -0.26 0.98 0.00 0.00 173.24 175.74 1c20 h PHE 6 N 4.03 1.14 0.00 5.02 0.04 -2.02 -2.95 116.94 122.19 1c20 h PHE 6 Ca -0.45 -0.33 -0.00 0.00 2.80 0.00 0.00 57.97 59.99 1c20 h PHE 6 Cb 1.20 -0.24 -0.00 0.00 2.20 0.00 0.00 35.95 39.10 1c20 h PHE 6 CO 0.61 1.16 -0.02 0.93 -0.60 0.00 0.00 178.31 180.40 1c20 h GLU 7 N 0.79 0.00 -0.71 1.51 5.08 -1.99 -1.00 114.58 118.26 1c20 h GLU 7 Ca 0.07 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.36 1c20 h GLU 7 Cb 0.95 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.17 1c20 h GLU 7 CO 0.09 0.02 0.17 0.93 -1.00 0.00 0.00 179.01 179.22 1c20 h GLU 8 N 0.00 1.14 -0.13 2.33 3.07 -1.92 -1.06 114.58 118.00 1c20 h GLU 8 Ca -0.00 -0.27 -0.12 0.00 -0.50 0.00 0.00 59.36 58.46 1c20 h GLU 8 Cb 0.05 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 27.79 1c20 h GLU 8 CO 0.00 1.00 -0.45 1.96 -1.40 0.00 0.00 179.01 180.12 1c20 h GLN 9 N 1.08 0.32 0.15 2.33 4.20 -1.30 -2.88 115.11 119.01 1c20 h GLN 9 Ca 0.22 -0.17 -0.01 0.00 0.06 0.00 0.00 58.65 58.76 1c20 h GLN 9 Cb 0.37 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.16 1c20 h GLN 9 CO 0.00 0.72 -0.07 0.35 -0.67 0.00 0.00 178.83 179.16 1c20 h PHE 10 N 0.26 -0.19 0.00 2.96 3.57 -0.90 -2.55 116.94 120.09 1c20 h PHE 10 Ca 0.02 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 1c20 h PHE 10 Cb 0.90 0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.71 1c20 h PHE 10 CO 0.02 0.01 -0.09 1.57 -2.23 0.00 0.00 178.31 177.59 1c20 h LYS 11 N -0.37 0.00 0.00 1.11 2.10 -1.22 -0.80 116.57 117.39 1c20 h LYS 11 Ca -0.02 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.60 1c20 h LYS 11 Cb 0.29 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.61 1c20 h LYS 11 CO 0.03 0.09 -0.14 1.96 -2.00 0.00 0.00 179.45 179.39 1c20 h GLN 12 N 0.00 0.00 -0.07 0.07 4.20 -1.24 -1.76 115.11 116.31 1c20 h GLN 12 Ca -0.00 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.52 1c20 h GLN 12 Cb 0.17 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 1c20 h GLN 12 CO 0.01 0.14 -0.74 -0.24 -0.67 0.00 0.00 178.83 177.33 1c20 h VAL 13 N 0.00 1.39 -0.64 -0.54 3.04 -0.94 -3.11 116.25 115.45 1c20 h VAL 13 Ca -0.00 -2.18 0.01 0.00 -1.01 0.00 0.00 66.70 63.52 1c20 h VAL 13 Cb 0.28 2.14 -0.03 0.00 -2.01 0.00 0.00 31.29 31.68 1c20 h VAL 13 CO 0.02 0.65 0.42 -0.09 -1.01 0.00 0.00 177.57 177.56 1c20 h ARG 14 N 0.26 0.84 0.00 4.17 2.43 -1.27 -0.79 114.38 120.02 1c20 h ARG 14 Ca -0.03 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.07 1c20 h ARG 14 Cb 1.32 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 30.68 1c20 h ARG 14 CO 0.13 0.56 -0.09 -0.56 -1.51 0.00 0.00 179.97 178.49 1c20 h GLN 15 N 0.87 0.00 0.01 0.20 3.07 -1.48 -2.24 115.11 115.53 1c20 h GLN 15 Ca 0.23 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.97 1c20 h GLN 15 Cb -0.10 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.46 1c20 h GLN 15 CO -0.05 0.09 -0.00 -0.07 0.09 0.00 0.00 178.83 178.88 1c20 h LEU 16 N 0.00 -0.01 -1.01 0.06 3.38 -1.08 -2.41 115.31 114.25 1c20 h LEU 16 Ca -0.00 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 57.89 1c20 h LEU 16 Cb 0.18 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.89 1c20 h LEU 16 CO 0.01 0.08 0.65 1.88 0.09 0.00 0.00 178.44 181.15 1c20 h TYR 17 N -0.10 1.26 0.00 1.13 0.05 -1.30 -0.70 116.97 117.32 1c20 h TYR 17 Ca -0.00 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.80 1c20 h TYR 17 Cb 0.09 -0.42 0.00 0.00 1.01 0.00 0.00 36.73 37.41 1c20 h TYR 17 CO -0.05 0.80 0.00 0.39 -1.05 0.00 0.00 178.16 178.25 1c20 n GLU 18 N -4.38 0.02 -0.21 4.88 1.02 -0.89 -3.04 120.64 118.04 1c20 n GLU 18 Ca 0.12 0.35 0.01 0.00 -0.02 0.00 0.00 57.16 57.61 1c20 n GLU 18 Cb 0.02 -1.50 0.12 0.00 -0.02 0.00 0.00 31.44 30.06 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 0.73 -2.11 -3.67 2.04 -0.67 -3.45 117.51 110.38 1c20 h ILE 19 Ca 0.00 -0.13 0.06 0.00 1.00 0.00 0.00 64.86 65.79 1c20 h ILE 19 Cb 0.11 0.31 -0.18 0.00 -0.74 0.00 0.00 36.82 36.33 1c20 h ILE 19 CO 0.00 0.07 0.43 0.20 0.00 0.00 0.00 178.15 178.85 1c20 s ASN 20 N -5.37 -0.43 -0.12 1.72 -0.87 -1.17 -5.01 114.94 103.68 1c20 s ASN 20 Ca -0.13 0.22 0.07 0.00 -1.57 0.00 0.00 52.86 51.46 1c20 s ASN 20 Cb 0.18 0.41 0.43 0.00 -0.02 0.00 0.00 41.25 42.24 1c20 s ASN 20 CO 0.75 -0.58 1.15 -0.67 -2.57 0.00 0.00 177.10 175.18 1c20 n ASP 21 N 0.19 3.46 -4.72 -1.22 -0.08 -1.26 -4.76 116.55 108.17 1c20 n ASP 21 Ca -0.12 -2.49 -0.42 0.00 -1.51 0.00 0.00 54.79 50.26 1c20 n ASP 21 Cb 0.60 -0.60 -0.03 0.00 2.34 0.00 0.00 41.12 43.43 1c20 n ASP 21 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 1c20 s ASP 22 N -0.40 6.37 0.25 1.67 1.01 -1.26 -4.88 116.67 119.43 1c20 s ASP 22 Ca 0.28 2.88 -0.06 0.00 0.71 0.00 0.00 52.55 56.37 1c20 s ASP 22 Cb 0.22 -2.60 0.28 0.00 1.01 0.00 0.00 42.92 41.82 1c20 s ASP 22 CO 0.08 -0.98 1.93 1.55 0.21 0.00 0.00 175.17 177.96 1c20 h PRO 23 N 6.82 1.31 -0.00 8.23 0.13 -1.99 -2.02 132.00 144.48 1c20 h PRO 23 Ca -0.43 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1c20 h PRO 23 Cb 1.20 -0.30 -0.00 0.00 0.13 0.00 0.00 31.00 32.03 1c20 h PRO 23 CO 0.96 0.87 0.00 -0.22 -0.23 0.00 0.00 178.00 179.38 1c20 h LYS 24 N 1.35 0.00 -0.26 0.86 3.64 -1.99 0.85 116.57 121.03 1c20 h LYS 24 Ca 0.37 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.72 1c20 h LYS 24 Cb -0.14 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.67 1c20 h LYS 24 CO -0.08 0.00 0.04 -0.09 -2.27 0.00 0.00 179.45 177.05 1c20 h ARG 25 N -0.00 0.43 -0.05 1.90 2.43 -1.91 -0.39 114.38 116.80 1c20 h ARG 25 Ca 0.00 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 1c20 h ARG 25 Cb 0.00 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.50 1c20 h ARG 25 CO -0.00 0.56 0.03 -0.22 -1.51 0.00 0.00 179.97 178.83 1c20 h LYS 26 N 0.24 0.06 -0.86 0.20 3.64 -1.25 -1.32 116.57 117.28 1c20 h LYS 26 Ca 0.08 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.43 1c20 h LYS 26 Cb 0.34 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.11 1c20 h LYS 26 CO 0.01 0.04 0.44 0.93 -2.27 0.00 0.00 179.45 178.59 1c20 h GLU 27 N 0.06 1.23 -0.00 1.90 4.39 -0.76 -1.73 114.58 119.66 1c20 h GLU 27 Ca 0.02 -0.17 0.00 0.00 0.34 0.00 0.00 59.36 59.55 1c20 h GLU 27 Cb -0.00 -0.23 -0.00 0.00 -0.10 0.00 0.00 28.75 28.42 1c20 h GLU 27 CO -0.01 0.93 0.00 0.35 -1.16 0.00 0.00 179.01 179.12 1c20 h PHE 28 N 1.22 0.00 -0.80 4.33 3.57 -0.67 -1.49 116.94 123.11 1c20 h PHE 28 Ca 0.30 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.81 1c20 h PHE 28 Cb 0.09 -0.00 -0.04 0.00 2.79 0.00 0.00 35.95 38.79 1c20 h PHE 28 CO 0.01 0.00 0.53 -0.07 -2.23 0.00 0.00 178.31 176.55 1c20 h LEU 29 N 0.00 0.91 -0.88 0.59 3.38 -0.98 0.30 115.31 118.64 1c20 h LEU 29 Ca 0.00 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.96 1c20 h LEU 29 Cb 0.00 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.48 1c20 h LEU 29 CO -0.00 0.66 0.58 0.44 0.09 0.00 0.00 178.44 180.21 1c20 h ASP 30 N 1.08 1.01 0.09 -0.43 3.32 -0.96 -1.27 116.42 119.25 1c20 h ASP 30 Ca 0.29 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.31 1c20 h ASP 30 Cb -0.12 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.17 1c20 h ASP 30 CO -0.06 0.73 -0.04 0.44 -1.72 0.00 0.00 179.24 178.59 1c20 h ASP 31 N 1.19 -0.10 0.60 6.45 3.32 -0.62 -2.38 116.42 124.88 1c20 h ASP 31 Ca 0.32 -0.50 -0.03 0.00 0.02 0.00 0.00 57.03 56.84 1c20 h ASP 31 Cb -0.14 0.03 0.01 0.00 0.22 0.00 0.00 39.33 39.44 1c20 h ASP 31 CO -0.07 0.52 -0.29 0.25 -1.72 0.00 0.00 179.24 177.93 1c20 h LEU 32 N -0.79 -0.68 -1.01 1.55 5.85 -0.93 -1.64 115.31 117.65 1c20 h LEU 32 Ca -0.01 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.74 1c20 h LEU 32 Cb 0.59 0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.75 1c20 h LEU 32 CO 0.02 -0.49 0.67 -0.26 -0.34 0.00 0.00 178.44 178.04 1c20 h PHE 33 N -0.80 1.27 -0.40 1.25 -1.00 -1.38 -2.64 116.94 113.24 1c20 h PHE 33 Ca -0.08 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.73 1c20 h PHE 33 Cb 0.62 -0.43 -0.02 0.00 3.61 0.00 0.00 35.95 39.73 1c20 h PHE 33 CO -0.03 0.79 0.27 0.66 -1.61 0.00 0.00 178.31 178.39 1c20 h SER 34 N 1.36 0.46 0.38 2.17 4.64 -1.21 0.44 113.55 121.80 1c20 h SER 34 Ca 0.37 -0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.66 1c20 h SER 34 Cb -0.15 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 61.83 1c20 h SER 34 CO -0.08 0.33 -0.18 0.15 -0.87 0.00 0.00 176.83 176.18 1c20 h PHE 35 N 0.54 -0.47 0.00 4.77 3.57 -0.95 -1.87 116.94 122.54 1c20 h PHE 35 Ca 0.15 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.64 1c20 h PHE 35 Cb -0.06 0.15 0.00 0.00 2.79 0.00 0.00 35.95 38.83 1c20 h PHE 35 CO -0.05 -0.29 0.00 0.00 -2.23 0.00 0.00 178.31 175.74 1c20 n MET 36 N -5.31 0.18 0.00 1.11 0.00 -1.07 -3.09 117.12 108.94 1c20 n MET 36 Ca -0.11 0.41 0.00 0.00 0.00 0.00 0.00 57.70 58.00 1c20 n MET 36 Cb 0.22 -1.84 0.00 0.00 0.00 0.00 0.00 33.22 31.60 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 -2.17 0.00 -0.31 3.17 7.27 0.15 -2.49 117.38 123.00 1c20 n GLN 37 Ca 0.02 0.36 0.15 0.00 0.07 0.00 0.00 57.00 57.60 1c20 n GLN 37 Cb 0.23 -1.60 0.33 0.00 2.41 0.00 0.00 30.24 31.60 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 0.29 -0.29 3.69 3.64 -1.70 1.48 116.57 123.69 1c20 h LYS 38 Ca 0.00 -0.02 -0.15 0.00 -1.27 0.00 0.00 60.65 59.21 1c20 h LYS 38 Cb 0.21 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 1c20 h LYS 38 CO 0.00 0.19 -0.44 0.00 -2.27 0.00 0.00 179.45 176.93 1c20 h ARG 39 N 0.29 0.72 0.00 1.90 2.47 -1.82 -3.47 114.38 114.48 1c20 h ARG 39 Ca 0.58 -0.40 0.00 0.00 -1.26 0.00 0.00 59.98 58.91 1c20 h ARG 39 Cb 1.19 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 29.53 1c20 h ARG 39 CO -0.60 1.02 0.00 0.41 0.56 0.00 0.00 179.97 181.35 1c20 n GLY 40 N 0.12 1.10 3.64 0.04 0.00 0.51 -5.09 105.19 105.51 1c20 n GLY 40 Ca -0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.14 3.57 0.00 2.61 -4.23 -1.26 -5.01 115.64 109.17 1c20 s THR 41 Ca 0.00 -1.58 0.00 0.00 -1.18 0.00 0.00 61.69 58.93 1c20 s THR 41 Cb 0.00 -2.82 0.00 0.00 1.34 0.00 0.00 72.50 71.02 1c20 s THR 41 CO 0.00 -0.18 0.00 -0.81 -0.54 0.00 0.00 174.62 173.09 1c20 n PRO 42 N -0.29 2.08 0.00 3.99 -0.04 -1.26 -4.76 135.00 134.72 1c20 n PRO 42 Ca -0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 1c20 n PRO 42 Cb 0.56 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.02 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 -0.35 0.00 -0.07 0.52 0.13 -1.26 -4.97 119.36 113.36 1c20 n ILE 43 Ca 0.00 0.00 -0.14 0.00 -1.10 0.00 0.00 62.75 61.51 1c20 n ILE 43 Cb 0.00 0.00 -0.12 0.00 -0.84 0.00 0.00 39.64 38.68 1c20 n ILE 43 CO 0.00 0.00 0.00 0.78 2.80 0.00 0.00 176.55 180.13 1c20 h ASN 44 N 0.00 0.00 -4.91 9.51 4.21 -1.94 -3.49 115.58 118.96 1c20 h ASN 44 Ca 0.00 -0.87 -0.01 0.00 1.21 0.00 0.00 56.30 56.63 1c20 h ASN 44 Cb 0.00 0.00 -0.15 0.00 -1.12 0.00 0.00 38.32 37.05 1c20 h ASN 44 CO 0.00 1.04 0.25 -0.60 -1.29 0.00 0.00 177.43 176.84 1c20 s ARG 45 N -2.21 1.12 -0.50 0.81 3.52 -1.26 -5.09 118.95 115.35 1c20 s ARG 45 Ca -0.19 -0.19 0.04 0.00 -0.13 0.00 0.00 55.73 55.25 1c20 s ARG 45 Cb -0.02 0.52 0.17 0.00 -1.56 0.00 0.00 34.95 34.07 1c20 s ARG 45 CO 0.64 -0.45 0.39 1.28 -0.81 0.00 0.00 175.30 176.35 1c20 n LEU 46 N 0.09 0.56 -4.57 -0.88 4.77 -1.26 -5.11 117.00 110.59 1c20 n LEU 46 Ca -0.16 -4.63 -0.29 0.00 -0.03 0.00 0.00 56.01 50.90 1c20 n LEU 46 Cb 0.62 0.17 0.21 0.00 -2.33 0.00 0.00 43.42 42.09 1c20 n LEU 46 CO 0.16 1.84 0.58 -2.84 -1.33 0.00 0.00 177.39 175.80 1c20 s PRO 47 N -0.42 -0.11 -0.14 3.23 0.02 -1.26 -4.86 135.00 131.46 1c20 s PRO 47 Ca 0.31 0.98 -0.01 0.00 0.02 0.00 0.00 61.00 62.30 1c20 s PRO 47 Cb 0.02 -1.64 -0.01 0.00 0.02 0.00 0.00 34.50 32.89 1c20 s PRO 47 CO -0.19 -3.22 -0.12 0.42 -0.33 0.00 0.00 177.00 173.56 1c20 s ILE 48 N -2.60 3.07 -0.54 2.83 -1.09 -1.26 -3.12 121.20 118.49 1c20 s ILE 48 Ca 0.67 -0.65 -0.18 0.00 -2.23 0.00 0.00 60.65 58.26 1c20 s ILE 48 Cb -0.23 -2.30 0.09 0.00 -1.58 0.00 0.00 42.46 38.44 1c20 s ILE 48 CO 0.62 0.52 0.59 -0.04 -1.23 0.00 0.00 174.94 175.39 1c20 s MET 49 N 0.47 3.05 1.30 2.79 -1.94 0.42 -4.91 119.30 120.48 1c20 s MET 49 Ca -0.09 -1.26 0.00 0.00 -1.71 0.00 0.00 55.69 52.64 1c20 s MET 49 Cb -0.16 -4.20 0.00 0.00 2.01 0.00 0.00 34.83 32.49 1c20 s MET 49 CO 0.04 -1.31 0.00 0.00 -0.01 0.00 0.00 175.02 173.74 1c20 n ALA 50 N 5.90 0.00 0.41 3.03 0.00 -1.26 0.22 120.51 128.81 1c20 n ALA 50 Ca -0.10 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.39 1c20 n ALA 50 Cb 0.43 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.91 1c20 n ALA 50 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1c20 n LYS 51 N 0.00 0.78 -4.22 0.00 5.02 -1.26 -5.00 118.16 113.48 1c20 n LYS 51 Ca 0.00 -0.97 -0.23 0.00 -2.02 0.00 0.00 58.31 55.09 1c20 n LYS 51 Cb 0.00 -1.16 -0.06 0.00 -0.02 0.00 0.00 35.03 33.79 1c20 n LYS 51 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1c20 s SER 52 N -0.93 4.94 -0.06 4.39 0.01 0.60 -5.13 113.70 117.52 1c20 s SER 52 Ca 0.11 -0.46 0.02 0.00 1.31 0.00 0.00 55.95 56.92 1c20 s SER 52 Cb 0.08 -1.08 -0.03 0.00 0.21 0.00 0.00 66.02 65.20 1c20 s SER 52 CO 0.15 0.00 -0.09 -0.69 0.41 0.00 0.00 173.24 173.02 1c20 s VAL 53 N -2.16 3.53 -0.57 3.43 1.01 -1.26 0.16 120.40 124.53 1c20 s VAL 53 Ca 0.31 -0.55 -0.26 0.00 0.00 0.00 0.00 61.98 61.49 1c20 s VAL 53 Cb -0.07 -2.43 -0.08 0.00 0.00 0.00 0.00 36.38 33.80 1c20 s VAL 53 CO 0.22 0.60 2.38 -0.22 0.00 0.00 0.00 175.10 178.07 1c20 s LEU 54 N -0.78 3.28 -0.23 3.92 2.96 -1.18 -4.86 118.68 121.78 1c20 s LEU 54 Ca 0.12 0.79 -0.29 0.00 -0.22 0.00 0.00 54.13 54.53 1c20 s LEU 54 Cb -0.11 -2.51 -0.02 0.00 0.50 0.00 0.00 46.19 44.05 1c20 s LEU 54 CO 0.01 -3.09 1.50 -0.62 -1.32 0.00 0.00 176.35 172.84 1c20 s ASP 55 N 11.68 6.52 0.28 3.68 -1.08 -1.26 -4.88 116.67 131.61 1c20 s ASP 55 Ca 0.95 1.54 -0.03 0.00 -0.52 0.00 0.00 52.55 54.49 1c20 s ASP 55 Cb -0.16 -2.53 0.39 0.00 -1.46 0.00 0.00 42.92 39.16 1c20 s ASP 55 CO 0.21 -1.15 1.96 -0.07 0.52 0.00 0.00 175.17 176.64 1c20 h LEU 56 N 11.23 1.01 -0.91 -1.34 3.38 -2.01 -2.20 115.31 124.48 1c20 h LEU 56 Ca -0.31 -0.03 0.16 0.00 0.09 0.00 0.00 57.88 57.79 1c20 h LEU 56 Cb 1.14 -0.25 -0.10 0.00 0.09 0.00 0.00 40.66 41.53 1c20 h LEU 56 CO 1.01 0.73 0.50 0.22 0.09 0.00 0.00 178.44 180.99 1c20 h TYR 57 N 1.20 0.88 -0.61 1.13 5.03 -2.00 -0.91 116.97 121.70 1c20 h TYR 57 Ca 0.33 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.67 1c20 h TYR 57 Cb -0.14 -0.25 -0.03 0.00 1.55 0.00 0.00 36.73 37.86 1c20 h TYR 57 CO -0.00 0.20 0.40 1.49 -1.32 0.00 0.00 178.16 178.93 1c20 h GLU 58 N 0.68 0.80 0.00 1.82 4.81 -1.80 -0.32 114.58 120.57 1c20 h GLU 58 Ca 0.51 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.69 1c20 h GLU 58 Cb 0.75 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.95 1c20 h GLU 58 CO -0.37 0.54 -0.00 1.25 -0.73 0.00 0.00 179.01 179.69 1c20 h LEU 59 N 0.82 -0.00 -0.19 1.64 5.85 -1.22 -1.14 115.31 121.07 1c20 h LEU 59 Ca 0.22 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.94 1c20 h LEU 59 Cb -0.09 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 1c20 h LEU 59 CO -0.05 0.00 0.13 0.22 -0.34 0.00 0.00 178.44 178.40 1c20 h TYR 60 N -0.01 0.24 -0.89 1.25 3.20 -1.13 -0.80 116.97 118.84 1c20 h TYR 60 Ca -0.00 0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.92 1c20 h TYR 60 Cb 0.01 -0.08 -0.06 0.00 1.54 0.00 0.00 36.73 38.14 1c20 h TYR 60 CO -0.08 0.15 0.57 -2.95 -1.64 0.00 0.00 178.16 174.21 1c20 h ASN 61 N 0.26 0.93 -0.64 -2.11 -1.07 -0.87 -1.85 115.58 110.23 1c20 h ASN 61 Ca 0.07 -0.00 -0.09 0.00 0.07 0.00 0.00 56.30 56.35 1c20 h ASN 61 Cb -0.03 -0.20 -0.02 0.00 -2.07 0.00 0.00 38.32 36.00 1c20 h ASN 61 CO -0.01 0.63 0.04 -0.07 0.07 0.00 0.00 177.43 178.09 1c20 h LEU 62 N 1.08 1.07 0.00 6.14 3.38 -0.80 -0.69 115.31 125.50 1c20 h LEU 62 Ca 0.36 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1c20 h LEU 62 Cb 0.05 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.52 1c20 h LEU 62 CO -0.13 1.09 -0.00 0.58 0.09 0.00 0.00 178.44 180.07 1c20 h VAL 63 N 1.01 1.03 -0.67 1.22 2.07 -0.38 -2.59 116.25 117.95 1c20 h VAL 63 Ca 0.19 -0.09 -0.08 0.00 0.82 0.00 0.00 66.70 67.53 1c20 h VAL 63 Cb 0.52 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 1c20 h VAL 63 CO 0.02 0.02 0.09 0.40 0.02 0.00 0.00 177.57 178.13 1c20 h ILE 64 N -0.04 1.26 0.00 4.57 1.08 -1.33 -1.53 117.51 121.53 1c20 h ILE 64 Ca -0.00 -1.06 0.00 0.00 -0.39 0.00 0.00 64.86 63.41 1c20 h ILE 64 Cb 0.04 0.65 0.00 0.00 -3.07 0.00 0.00 36.82 34.44 1c20 h ILE 64 CO 0.00 0.40 0.11 0.00 -0.69 0.00 0.00 178.15 177.97 1c20 n ALA 65 N -2.47 0.86 -0.03 1.87 0.00 -0.27 -1.28 120.51 119.19 1c20 n ALA 65 Ca 0.04 0.13 -0.17 0.00 0.00 0.00 0.00 53.44 53.44 1c20 n ALA 65 Cb 0.30 -1.05 -0.14 0.00 0.00 0.00 0.00 19.45 18.57 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 -2.02 0.71 0.00 0.00 5.12 -0.58 -4.98 116.66 114.90 1c20 n ARG 66 Ca -0.01 0.23 0.00 0.00 -1.93 0.00 0.00 57.85 56.14 1c20 n ARG 66 Cb 0.14 -1.67 0.00 0.00 -1.16 0.00 0.00 32.46 29.76 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 1.95 -0.99 0.00 -0.13 0.00 -0.40 -4.99 105.19 100.62 1c20 n GLY 67 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 4.15 0.28 -0.02 0.00 -1.20 -4.70 105.19 103.70 1c20 n GLY 68 Ca 0.00 -1.37 -0.05 0.00 0.00 0.00 0.00 46.02 44.60 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 0.82 -0.93 0.99 5.85 -1.97 -1.25 115.31 118.83 1c20 h LEU 69 Ca 0.00 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.71 1c20 h LEU 69 Cb 0.00 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 40.78 1c20 h LEU 69 CO 0.00 0.60 0.62 0.58 -0.34 0.00 0.00 178.44 179.89 1c20 h VAL 70 N 0.97 1.24 -0.88 1.05 2.07 -1.98 0.71 116.25 119.42 1c20 h VAL 70 Ca 0.26 -0.43 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 1c20 h VAL 70 Cb -0.11 -0.13 -0.04 0.00 -1.52 0.00 0.00 31.29 29.48 1c20 h VAL 70 CO -0.06 0.23 0.46 0.44 0.02 0.00 0.00 177.57 178.66 1c20 h ASP 71 N 1.26 1.13 -0.40 0.57 3.32 -1.64 -0.88 116.42 119.78 1c20 h ASP 71 Ca 0.34 -0.12 -0.05 0.00 0.02 0.00 0.00 57.03 57.23 1c20 h ASP 71 Cb -0.14 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.10 1c20 h ASP 71 CO -0.08 0.92 0.06 0.58 -1.72 0.00 0.00 179.24 179.01 1c20 h VAL 72 N 1.25 1.24 0.36 -1.35 2.07 -0.07 -1.04 116.25 118.71 1c20 h VAL 72 Ca 0.31 -0.87 -0.02 0.00 0.82 0.00 0.00 66.70 66.94 1c20 h VAL 72 Cb 0.07 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1c20 h VAL 72 CO -0.04 0.30 -0.17 0.40 0.02 0.00 0.00 177.57 178.07 1c20 h ILE 73 N 0.51 0.64 -0.90 4.57 2.04 -0.47 1.06 117.51 124.97 1c20 h ILE 73 Ca 0.12 -0.44 0.01 0.00 1.00 0.00 0.00 64.86 65.55 1c20 h ILE 73 Cb 0.37 0.86 -0.05 0.00 -0.74 0.00 0.00 36.82 37.27 1c20 h ILE 73 CO 0.01 0.08 0.59 -1.13 0.00 0.00 0.00 178.15 177.71 1c20 h ASN 74 N -0.73 1.03 0.63 1.72 -0.73 -1.21 -0.80 115.58 115.49 1c20 h ASN 74 Ca -0.05 -0.03 0.00 0.00 1.87 0.00 0.00 56.30 58.10 1c20 h ASN 74 Cb 0.50 -0.25 0.00 0.00 0.27 0.00 0.00 38.32 38.84 1c20 h ASN 74 CO 0.08 0.74 -0.19 0.29 -0.37 0.00 0.00 177.43 177.98 1c20 n LYS 75 N -4.46 0.22 -3.63 6.67 5.02 -0.39 -4.94 118.16 116.65 1c20 n LYS 75 Ca 0.10 -0.08 -0.20 0.00 -2.02 0.00 0.00 58.31 56.11 1c20 n LYS 75 Cb 0.02 -1.50 0.05 0.00 -0.02 0.00 0.00 35.03 33.58 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 -1.32 -5.33 -0.52 1.97 5.02 0.35 -4.85 118.16 113.48 1c20 n LYS 76 Ca 0.09 0.68 -0.01 0.00 -2.02 0.00 0.00 58.31 57.04 1c20 n LYS 76 Cb 0.32 -5.35 0.18 0.00 -0.02 0.00 0.00 35.03 30.16 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 -4.24 3.93 0.29 -0.35 4.77 -0.12 -4.29 117.00 117.00 1c20 n LEU 77 Ca -0.30 -2.02 0.16 0.00 -0.03 0.00 0.00 56.01 53.83 1c20 n LEU 77 Cb 0.68 -0.62 0.95 0.00 -2.33 0.00 0.00 43.42 42.10 1c20 n LEU 77 CO 0.66 0.55 1.14 -0.50 -1.33 0.00 0.00 177.39 177.91 1c20 h TRP 78 N 1.60 0.00 -1.01 -1.77 4.06 -1.89 -1.64 115.95 115.30 1c20 h TRP 78 Ca 0.10 0.00 0.01 0.00 2.06 0.00 0.00 58.89 61.06 1c20 h TRP 78 Cb 1.49 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 29.60 1c20 h TRP 78 CO 0.65 0.00 0.66 1.96 -3.56 0.00 0.00 178.44 178.16 1c20 h GLN 79 N 0.00 1.33 -0.39 0.49 1.08 -1.98 0.68 115.11 116.31 1c20 h GLN 79 Ca 0.01 -0.08 -0.00 0.00 -1.45 0.00 0.00 58.65 57.13 1c20 h GLN 79 Cb 0.07 -0.30 -0.02 0.00 -0.05 0.00 0.00 27.48 27.18 1c20 h GLN 79 CO -0.00 0.88 0.24 0.93 -0.95 0.00 0.00 178.83 179.93 1c20 h GLU 80 N 1.36 0.53 -0.33 1.46 4.39 -1.65 0.18 114.58 120.53 1c20 h GLU 80 Ca 0.37 -0.05 -0.13 0.00 0.34 0.00 0.00 59.36 59.89 1c20 h GLU 80 Cb -0.15 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.38 1c20 h GLU 80 CO -0.08 0.40 -0.29 0.82 -1.16 0.00 0.00 179.01 178.70 1c20 h ILE 81 N 0.52 1.29 -0.75 3.13 2.04 -1.53 -2.80 117.51 119.41 1c20 h ILE 81 Ca 0.14 -1.45 0.00 0.00 1.00 0.00 0.00 64.86 64.56 1c20 h ILE 81 Cb 0.01 1.48 -0.04 0.00 -0.74 0.00 0.00 36.82 37.53 1c20 h ILE 81 CO -0.03 0.47 0.49 0.40 0.00 0.00 0.00 178.15 179.49 1c20 h ILE 82 N 0.55 1.20 -0.59 -0.67 2.04 -0.61 -0.98 117.51 118.44 1c20 h ILE 82 Ca 0.06 -0.38 0.01 0.00 1.00 0.00 0.00 64.86 65.55 1c20 h ILE 82 Cb 0.86 0.10 -0.03 0.00 -0.74 0.00 0.00 36.82 37.01 1c20 h ILE 82 CO 0.07 0.19 0.39 0.50 0.00 0.00 0.00 178.15 179.31 1c20 h LYS 83 N 1.03 0.78 -0.49 2.37 3.64 -0.40 -2.18 116.57 121.32 1c20 h LYS 83 Ca 0.28 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.56 1c20 h LYS 83 Cb -0.10 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.52 1c20 h LYS 83 CO -0.06 0.52 0.10 0.78 -2.27 0.00 0.00 179.45 178.52 1c20 h GLY 84 N 0.80 0.86 -5.05 5.01 0.00 -1.09 -2.94 103.07 100.66 1c20 h GLY 84 Ca 0.22 -0.56 -0.61 0.00 0.00 0.00 0.00 47.33 46.38 1c20 h GLY 84 CO -0.05 0.52 2.13 1.04 0.00 0.00 0.00 176.54 180.17 1c20 n LEU 85 N -4.45 7.63 -3.69 3.11 4.32 -0.45 -4.96 117.00 118.52 1c20 n LEU 85 Ca 0.01 -4.38 -0.53 0.00 -0.02 0.00 0.00 56.01 51.10 1c20 n LEU 85 Cb 0.24 -1.40 -0.08 0.00 -1.62 0.00 0.00 43.42 40.55 1c20 n LEU 85 CO 0.40 1.97 1.04 1.41 -1.22 0.00 0.00 177.39 180.98 1c20 n HIS 86 N 2.21 1.28 -1.95 -1.77 8.25 -1.11 -4.87 115.22 117.26 1c20 n HIS 86 Ca 0.62 0.84 -0.32 0.00 -0.26 0.00 0.00 57.72 58.61 1c20 n HIS 86 Cb 0.38 -1.79 0.01 0.00 1.12 0.00 0.00 29.99 29.71 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 3.02 3.37 0.00 2.41 2.01 -1.26 -5.01 118.68 123.22 1c20 s LEU 87 Ca 0.87 1.63 0.00 0.00 0.01 0.00 0.00 54.13 56.64 1c20 s LEU 87 Cb -1.20 -4.50 0.00 0.00 0.01 0.00 0.00 46.19 40.50 1c20 s LEU 87 CO 0.62 -1.06 0.87 -0.81 1.01 0.00 0.00 176.35 176.97 1c20 n PRO 88 N -2.39 0.00 0.00 1.29 -0.04 -1.26 -4.86 135.00 127.74 1c20 n PRO 88 Ca 0.07 0.44 0.00 0.00 -0.04 0.00 0.00 63.50 63.97 1c20 n PRO 88 Cb 0.54 -1.37 0.00 0.00 -0.04 0.00 0.00 33.50 32.63 1c20 n PRO 88 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1c20 n SER 89 N -1.73 0.00 0.00 3.54 7.64 -1.26 -4.97 113.62 116.85 1c20 n SER 89 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1c20 n SER 89 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1c20 n SER 89 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1c20 n SER 90 N 0.00 3.48 -4.09 6.43 7.64 -1.26 -5.04 113.62 120.78 1c20 n SER 90 Ca 0.00 -0.11 -0.47 0.00 1.01 0.00 0.00 58.87 59.30 1c20 n SER 90 Cb 0.00 0.91 0.02 0.00 -1.01 0.00 0.00 64.21 64.13 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 -1.26 -2.62 0.00 0.44 2.08 -1.26 -4.92 119.36 111.82 1c20 n ILE 91 Ca 0.00 -0.57 0.00 0.00 0.56 0.00 0.00 62.75 62.74 1c20 n ILE 91 Cb 0.00 -2.23 0.00 0.00 -0.75 0.00 0.00 39.64 36.66 1c20 n ILE 91 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 1c20 n THR 92 N -5.02 0.00 -0.43 1.39 -2.24 -1.26 -4.32 114.28 102.40 1c20 n THR 92 Ca -0.12 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.59 1c20 n THR 92 Cb 0.56 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.74 1c20 n THR 92 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1c20 n SER 93 N 0.00 2.43 0.28 3.42 7.64 -1.26 -4.50 113.62 121.62 1c20 n SER 93 Ca 0.00 -1.97 -0.18 0.00 1.01 0.00 0.00 58.87 57.73 1c20 n SER 93 Cb 0.00 -0.65 -0.10 0.00 -1.01 0.00 0.00 64.21 62.45 1c20 n SER 93 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1c20 h ALA 94 N 5.25 -1.14 0.15 -0.43 0.00 -1.97 1.89 119.26 123.02 1c20 h ALA 94 Ca 0.14 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1c20 h ALA 94 Cb 0.50 0.76 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1c20 h ALA 94 CO 0.60 -1.18 -0.07 0.00 0.00 0.00 0.00 179.25 178.59 1c20 h ALA 95 N -0.87 -0.21 -0.69 0.00 0.00 -1.93 -2.03 119.26 113.53 1c20 h ALA 95 Ca -0.06 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.79 1c20 h ALA 95 Cb 0.87 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 1c20 h ALA 95 CO -0.09 -0.59 0.45 0.35 0.00 0.00 0.00 179.25 179.38 1c20 h PHE 96 N -0.27 0.88 -0.86 0.00 3.57 -1.87 -2.61 116.94 115.79 1c20 h PHE 96 Ca -0.02 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 1c20 h PHE 96 Cb 0.21 -0.30 -0.04 0.00 2.79 0.00 0.00 35.95 38.62 1c20 h PHE 96 CO -0.05 0.56 0.42 1.15 -2.23 0.00 0.00 178.31 178.16 1c20 h THR 97 N 0.94 1.26 0.16 4.41 2.02 0.31 -2.47 112.91 119.55 1c20 h THR 97 Ca 0.25 -0.73 -0.01 0.00 0.77 0.00 0.00 66.41 66.70 1c20 h THR 97 Cb -0.10 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 66.47 1c20 h THR 97 CO -0.05 0.31 -0.08 -0.07 0.37 0.00 0.00 175.52 176.00 1c20 h LEU 98 N 1.22 -0.19 -0.97 2.58 3.38 -1.04 -2.98 115.31 117.32 1c20 h LEU 98 Ca 0.30 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 1c20 h LEU 98 Cb 0.11 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.86 1c20 h LEU 98 CO -0.04 0.12 0.60 0.08 0.09 0.00 0.00 178.44 179.29 1c20 h ARG 99 N -0.51 1.30 -0.02 1.13 0.11 -1.43 -2.23 114.38 112.72 1c20 h ARG 99 Ca -0.02 -0.11 -0.00 0.00 0.10 0.00 0.00 59.98 59.95 1c20 h ARG 99 Cb 0.39 -0.28 -0.00 0.00 1.11 0.00 0.00 29.97 31.19 1c20 h ARG 99 CO 0.04 0.90 0.00 0.00 0.10 0.00 0.00 179.97 181.01 1c20 h THR 100 N 1.33 1.22 -0.72 0.08 1.03 -1.47 0.31 112.91 114.70 1c20 h THR 100 Ca 0.35 -0.67 -0.02 0.00 -0.01 0.00 0.00 66.41 66.06 1c20 h THR 100 Cb -0.08 1.63 -0.03 0.00 -1.07 0.00 0.00 68.15 68.60 1c20 h THR 100 CO -0.07 0.18 0.38 1.56 -0.01 0.00 0.00 175.52 177.56 1c20 h GLN 101 N -0.23 1.01 -0.18 0.00 4.20 -1.48 0.23 115.11 118.67 1c20 h GLN 101 Ca 0.01 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.59 1c20 h GLN 101 Cb 0.29 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 1c20 h GLN 101 CO 0.00 0.77 0.12 -0.92 -0.67 0.00 0.00 178.83 178.13 1c20 h TYR 102 N 1.00 0.22 -0.76 2.96 5.03 -1.30 -2.41 116.97 121.71 1c20 h TYR 102 Ca 0.25 0.00 0.01 0.00 2.58 0.00 0.00 58.73 61.57 1c20 h TYR 102 Cb 0.06 -0.08 -0.04 0.00 1.55 0.00 0.00 36.73 38.23 1c20 h TYR 102 CO 0.00 0.14 0.50 1.98 -1.32 0.00 0.00 178.16 179.46 1c20 h MET 103 N 0.24 1.00 -1.01 1.82 4.05 -0.38 0.91 114.93 121.57 1c20 h MET 103 Ca 0.06 -0.06 0.01 0.00 -0.28 0.00 0.00 59.70 59.43 1c20 h MET 103 Cb -0.03 -0.22 -0.05 0.00 -0.80 0.00 0.00 31.60 30.50 1c20 h MET 103 CO -0.01 0.67 0.67 -0.22 0.23 0.00 0.00 176.91 178.24 1c20 h LYS 104 N 1.03 1.33 0.00 0.39 1.63 -0.44 -3.37 116.57 117.14 1c20 h LYS 104 Ca 0.28 -0.08 0.00 0.00 -0.85 0.00 0.00 60.65 60.00 1c20 h LYS 104 Cb -0.11 -0.30 0.00 0.00 -0.60 0.00 0.00 32.23 31.22 1c20 h LYS 104 CO -0.06 0.88 0.00 0.66 -3.45 0.00 0.00 179.45 177.48 1c20 n TYR 105 N -4.38 0.00 0.53 1.91 4.01 -1.11 -4.88 117.16 113.24 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 -0.08 0.00 -0.31 0.00 0.00 39.34 38.96 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 -0.03 0.53 -0.00 7.72 4.77 0.31 -4.33 117.00 125.97 1c20 n LEU 106 Ca 0.00 -0.41 -0.10 0.00 -0.03 0.00 0.00 56.01 55.47 1c20 n LEU 106 Cb 0.12 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.25 1c20 n LEU 106 CO 0.00 0.13 0.46 0.22 -1.33 0.00 0.00 177.39 176.87 1c20 h TYR 107 N 0.00 0.73 -0.09 -1.77 3.20 -1.56 -1.69 116.97 115.80 1c20 h TYR 107 Ca 0.00 -0.27 -0.20 0.00 3.14 0.00 0.00 58.73 61.41 1c20 h TYR 107 Cb 0.39 -0.14 -0.00 0.00 1.54 0.00 0.00 36.73 38.52 1c20 h TYR 107 CO 0.00 1.01 -0.76 -1.00 -1.64 0.00 0.00 178.16 175.77 1c20 h PRO 108 N 0.44 0.50 -0.06 1.82 0.14 -1.86 -2.62 132.00 130.36 1c20 h PRO 108 Ca 0.00 -0.42 -0.01 0.00 0.14 0.00 0.00 66.00 65.72 1c20 h PRO 108 Cb 1.13 0.09 -0.00 0.00 0.14 0.00 0.00 31.00 32.35 1c20 h PRO 108 CO 0.11 1.05 0.00 -0.92 0.14 0.00 0.00 178.00 178.38 1c20 h TYR 109 N 0.33 0.11 -0.15 1.56 3.20 -1.74 0.13 116.97 120.42 1c20 h TYR 109 Ca -0.04 -0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.84 1c20 h TYR 109 Cb 1.36 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 39.57 1c20 h TYR 109 CO 0.06 0.38 -0.02 1.49 -1.64 0.00 0.00 178.16 178.43 1c20 h GLU 110 N -0.18 0.03 -1.01 1.82 4.81 -1.35 0.40 114.58 119.09 1c20 h GLU 110 Ca 0.02 -0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.26 1c20 h GLU 110 Cb 0.33 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.66 1c20 h GLU 110 CO 0.00 0.02 0.67 0.00 -0.73 0.00 0.00 179.01 178.97 1c20 h GLU 112 N 1.37 0.72 -0.37 0.00 4.81 0.11 2.53 114.58 123.74 1c20 h GLU 112 Ca 0.37 -0.19 -0.17 0.00 -0.13 0.00 0.00 59.36 59.24 1c20 h GLU 112 Cb -0.16 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.13 1c20 h GLU 112 CO -0.08 0.75 -0.41 0.87 -0.73 0.00 0.00 179.01 179.41 1c20 h LYS 113 N 0.57 0.94 0.00 1.92 1.57 -0.52 -3.39 116.57 117.66 1c20 h LYS 113 Ca 0.13 -0.51 0.00 0.00 -1.87 0.00 0.00 60.65 58.40 1c20 h LYS 113 Cb 0.38 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.72 1c20 h LYS 113 CO 0.01 1.16 -0.61 1.63 -0.57 0.00 0.00 179.45 181.07 1c20 n LYS 114 N -4.05 2.20 -3.69 3.15 4.76 -0.44 -5.04 118.16 115.05 1c20 n LYS 114 Ca -0.03 0.00 -0.26 0.00 -2.87 0.00 0.00 58.31 55.15 1c20 n LYS 114 Cb 0.56 -0.78 0.03 0.00 -1.84 0.00 0.00 35.03 33.00 1c20 n LYS 114 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1c20 n ASN 115 N -1.01 -3.40 -0.38 4.39 5.15 0.85 -4.83 115.26 116.03 1c20 n ASN 115 Ca 0.00 -0.93 -0.02 0.00 -0.60 0.00 0.00 54.58 53.03 1c20 n ASN 115 Cb 0.00 -3.69 0.11 0.00 -0.53 0.00 0.00 39.78 35.67 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 -1.80 1.15 0.00 1.20 3.38 -1.81 -3.47 115.31 113.96 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 1.36 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1c20 h LEU 116 CO 0.53 0.84 0.00 -1.20 0.09 0.00 0.00 178.44 178.69 1c20 n SER 117 N -4.38 0.00 -4.52 -0.43 7.64 -1.26 -5.12 113.62 105.54 1c20 n SER 117 Ca 0.12 -0.92 -0.28 0.00 1.01 0.00 0.00 58.87 58.80 1c20 n SER 117 Cb 0.01 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.11 1c20 n SER 117 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1c20 s THR 118 N -2.89 3.00 0.41 0.44 -4.23 -1.26 -4.99 115.64 106.12 1c20 s THR 118 Ca 0.00 -1.56 0.26 0.00 -1.18 0.00 0.00 61.69 59.21 1c20 s THR 118 Cb 0.00 -2.42 0.26 0.00 1.34 0.00 0.00 72.50 71.68 1c20 s THR 118 CO 0.00 0.01 1.78 1.55 -0.54 0.00 0.00 174.62 177.43 1c20 h PRO 119 N 3.39 0.00 0.52 3.99 0.13 -2.01 -1.97 132.00 136.06 1c20 h PRO 119 Ca -0.48 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.62 1c20 h PRO 119 Cb 1.18 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.32 1c20 h PRO 119 CO 0.50 0.00 -0.25 0.00 -0.23 0.00 0.00 178.00 178.02 1c20 h ALA 120 N 1.44 -0.70 0.00 -0.56 0.00 -2.01 -2.89 119.26 114.54 1c20 h ALA 120 Ca 0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1c20 h ALA 120 Cb 0.51 0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 1c20 h ALA 120 CO 0.00 -0.66 -0.11 1.05 0.00 0.00 0.00 179.25 179.53 1c20 h GLU 121 N -1.18 0.00 -0.84 0.00 -0.00 -1.83 -1.79 114.58 108.94 1c20 h GLU 121 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.29 1c20 h GLU 121 Cb 0.55 0.00 -0.04 0.00 -0.00 0.00 0.00 28.75 29.26 1c20 h GLU 121 CO 0.12 0.11 0.53 1.25 -0.00 0.00 0.00 179.01 181.02 1c20 h LEU 122 N 0.00 0.99 -1.09 3.06 5.85 -1.34 -0.29 115.31 122.49 1c20 h LEU 122 Ca -0.00 -0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.68 1c20 h LEU 122 Cb 0.31 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.04 1c20 h LEU 122 CO 0.01 0.74 0.61 1.56 -0.34 0.00 0.00 178.44 181.02 1c20 h GLN 123 N 1.15 1.21 -1.01 1.25 4.20 -1.10 0.35 115.11 121.16 1c20 h GLN 123 Ca 0.31 -0.07 0.02 0.00 0.06 0.00 0.00 58.65 58.96 1c20 h GLN 123 Cb -0.09 -0.27 -0.05 0.00 0.30 0.00 0.00 27.48 27.37 1c20 h GLN 123 CO -0.06 0.80 0.67 0.00 -0.67 0.00 0.00 178.83 179.57 1c20 h ALA 124 N 1.42 1.29 -0.32 3.87 0.00 -1.04 1.40 119.26 125.89 1c20 h ALA 124 Ca 0.34 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 55.07 1c20 h ALA 124 Cb -0.14 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.25 1c20 h ALA 124 CO -0.07 0.64 -0.25 0.00 0.00 0.00 0.00 179.25 179.56 1c20 h ALA 125 N 1.38 0.46 -0.37 0.00 0.00 0.16 -2.50 119.26 118.39 1c20 h ALA 125 Ca 0.38 -0.39 -0.17 0.00 0.00 0.00 0.00 54.91 54.74 1c20 h ALA 125 Cb -0.11 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 1c20 h ALA 125 CO -0.09 0.45 -0.42 0.82 0.00 0.00 0.00 179.25 180.01 1c20 h ILE 126 N 0.50 1.27 -0.95 0.00 2.04 0.44 -3.09 117.51 117.72 1c20 h ILE 126 Ca 0.06 -1.59 0.01 0.00 1.00 0.00 0.00 64.86 64.34 1c20 h ILE 126 Cb 0.82 1.42 -0.05 0.00 -0.74 0.00 0.00 36.82 38.27 1c20 h ILE 126 CO 0.07 0.53 0.62 0.44 0.00 0.00 0.00 178.15 179.81 1c20 h ASP 127 N 0.75 1.09 -0.99 1.72 3.32 0.19 -2.07 116.42 120.43 1c20 h ASP 127 Ca 0.05 -0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.08 1c20 h ASP 127 Cb 1.01 -0.27 -0.05 0.00 0.22 0.00 0.00 39.33 40.24 1c20 h ASP 127 CO 0.10 0.79 0.65 1.23 -1.72 0.00 0.00 179.24 180.29 1c20 h GLY 128 N 1.29 1.41 1.22 2.75 0.00 -1.37 -1.85 103.07 106.50 1c20 h GLY 128 Ca 0.35 -0.54 0.01 0.00 0.00 0.00 0.00 47.33 47.15 1c20 h GLY 128 CO -0.07 0.53 0.53 -0.57 0.00 0.00 0.00 176.54 176.95 1c20 h ASN 129 N 1.35 0.92 -0.00 0.19 -1.24 -1.31 -3.52 115.58 111.96 1c20 h ASN 129 Ca 0.36 -0.02 0.00 0.00 0.71 0.00 0.00 56.30 57.35 1c20 h ASN 129 Cb -0.14 -0.23 0.00 0.00 0.73 0.00 0.00 38.32 38.68 1c20 h ASN 129 CO -0.08 0.67 0.00 -1.14 -1.29 0.00 0.00 177.43 175.59