#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 3.30 0.13 1.61 -0.00 -1.26 -4.97 118.94 117.75 1c20 s TRP 4 Ca 0.00 0.30 -0.02 0.00 -0.00 0.00 0.00 56.10 56.38 1c20 s TRP 4 Cb 0.00 -2.37 -0.04 0.00 -0.00 0.00 0.00 33.47 31.07 1c20 s TRP 4 CO 0.00 -0.02 0.07 -1.54 -0.00 0.00 0.00 176.95 175.46 1c20 s SER 5 N 1.24 0.29 0.25 5.86 1.04 -1.26 -5.02 113.70 116.10 1c20 s SER 5 Ca 0.10 -1.15 -0.06 0.00 0.48 0.00 0.00 55.95 55.33 1c20 s SER 5 Cb -0.14 0.30 0.26 0.00 0.10 0.00 0.00 66.02 66.54 1c20 s SER 5 CO 0.07 -0.73 1.90 2.19 0.98 0.00 0.00 173.24 177.65 1c20 h PHE 6 N 2.86 1.23 -0.87 5.02 -5.15 -2.00 -1.91 116.94 116.11 1c20 h PHE 6 Ca -0.35 0.00 0.01 0.00 -0.20 0.00 0.00 57.97 57.43 1c20 h PHE 6 Cb 1.20 -0.41 -0.04 0.00 0.22 0.00 0.00 35.95 36.92 1c20 h PHE 6 CO 0.44 0.81 0.57 1.49 -2.00 0.00 0.00 178.31 179.62 1c20 h GLU 7 N 1.29 1.15 -0.95 6.09 4.57 -2.00 -1.68 114.58 123.05 1c20 h GLU 7 Ca 0.34 -0.07 -0.00 0.00 -1.18 0.00 0.00 59.36 58.45 1c20 h GLU 7 Cb -0.07 -0.26 -0.05 0.00 -0.16 0.00 0.00 28.75 28.22 1c20 h GLU 7 CO -0.07 0.76 0.58 1.49 -1.18 0.00 0.00 179.01 180.60 1c20 h GLU 8 N 1.18 1.29 0.00 1.92 4.81 -1.73 0.27 114.58 122.32 1c20 h GLU 8 Ca 0.32 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 59.43 1c20 h GLU 8 Cb -0.13 -0.27 -0.00 0.00 0.63 0.00 0.00 28.75 28.97 1c20 h GLU 8 CO -0.07 0.89 -0.02 1.96 -0.73 0.00 0.00 179.01 181.04 1c20 h GLN 9 N 1.31 0.00 0.13 1.92 4.20 -1.12 -2.82 115.11 118.74 1c20 h GLN 9 Ca 0.34 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 59.05 1c20 h GLN 9 Cb -0.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.71 1c20 h GLN 9 CO -0.07 0.02 -0.06 0.35 -0.67 0.00 0.00 178.83 178.40 1c20 h PHE 10 N 0.00 -0.17 -1.00 2.96 3.04 -0.09 -3.14 116.94 118.54 1c20 h PHE 10 Ca -0.00 -0.00 0.01 0.00 3.98 0.00 0.00 57.97 61.95 1c20 h PHE 10 Cb 0.15 0.06 -0.05 0.00 2.56 0.00 0.00 35.95 38.66 1c20 h PHE 10 CO 0.00 0.22 0.66 1.57 -2.02 0.00 0.00 178.31 178.74 1c20 h LYS 11 N -0.60 1.32 0.00 1.11 2.10 -1.35 -0.80 116.57 118.35 1c20 h LYS 11 Ca -0.02 -0.08 -0.00 0.00 -2.00 0.00 0.00 60.65 58.54 1c20 h LYS 11 Cb 0.46 -0.30 -0.00 0.00 -0.90 0.00 0.00 32.23 31.50 1c20 h LYS 11 CO 0.03 0.88 -0.01 -0.56 -2.00 0.00 0.00 179.45 177.79 1c20 h GLN 12 N 1.36 0.00 -0.39 0.07 3.07 -1.59 -0.36 115.11 117.26 1c20 h GLN 12 Ca 0.37 0.00 -0.16 0.00 0.09 0.00 0.00 58.65 58.95 1c20 h GLN 12 Cb -0.15 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.41 1c20 h GLN 12 CO -0.08 0.01 -0.38 0.28 0.09 0.00 0.00 178.83 178.76 1c20 h VAL 13 N 0.00 1.27 -0.60 1.86 2.07 -1.10 -3.07 116.25 116.69 1c20 h VAL 13 Ca -0.00 -1.55 0.08 0.00 0.82 0.00 0.00 66.70 66.05 1c20 h VAL 13 Cb 0.03 1.36 -0.06 0.00 -1.52 0.00 0.00 31.29 31.10 1c20 h VAL 13 CO 0.00 0.52 0.25 0.03 0.02 0.00 0.00 177.57 178.39 1c20 h ARG 14 N 0.78 0.44 0.00 1.57 2.47 -0.93 0.16 114.38 118.87 1c20 h ARG 14 Ca 0.06 -0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.74 1c20 h ARG 14 Cb 0.98 -0.10 -0.00 0.00 -1.65 0.00 0.00 29.97 29.20 1c20 h ARG 14 CO 0.09 0.29 -0.07 -0.56 0.56 0.00 0.00 179.97 180.29 1c20 h GLN 15 N 0.46 0.00 -0.24 0.04 3.07 -1.45 -2.11 115.11 114.88 1c20 h GLN 15 Ca 0.29 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 59.03 1c20 h GLN 15 Cb 0.31 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.86 1c20 h GLN 15 CO -0.26 0.07 0.14 -0.07 0.09 0.00 0.00 178.83 178.80 1c20 h LEU 16 N 0.00 0.28 -0.70 0.06 3.38 -0.60 -1.90 115.31 115.84 1c20 h LEU 16 Ca -0.00 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 1c20 h LEU 16 Cb 0.16 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 1c20 h LEU 16 CO 0.01 0.25 0.15 1.88 0.09 0.00 0.00 178.44 180.81 1c20 h TYR 17 N 0.29 1.20 0.00 1.13 -1.99 -1.28 -2.34 116.97 113.98 1c20 h TYR 17 Ca 0.08 -0.15 0.00 0.00 2.00 0.00 0.00 58.73 60.66 1c20 h TYR 17 Cb 0.02 -0.33 0.00 0.00 2.00 0.00 0.00 36.73 38.41 1c20 h TYR 17 CO -0.05 0.98 0.00 0.39 -0.00 0.00 0.00 178.16 179.48 1c20 n GLU 18 N -4.23 0.47 -0.27 4.88 1.02 -0.86 -3.51 120.64 118.15 1c20 n GLU 18 Ca 0.05 0.04 0.20 0.00 -0.02 0.00 0.00 57.16 57.43 1c20 n GLU 18 Cb 0.27 -1.50 0.52 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 0.63 -2.15 -3.67 2.04 -0.78 -3.45 117.51 110.13 1c20 h ILE 19 Ca 0.00 -0.14 0.25 0.00 1.00 0.00 0.00 64.86 65.97 1c20 h ILE 19 Cb 0.06 0.20 -0.07 0.00 -0.74 0.00 0.00 36.82 36.27 1c20 h ILE 19 CO 0.00 0.07 0.70 0.21 0.00 0.00 0.00 178.15 179.13 1c20 s ASN 20 N -5.52 -0.04 -0.04 1.72 2.47 -1.23 -5.00 114.94 107.30 1c20 s ASN 20 Ca -0.08 -0.39 0.11 0.00 0.42 0.00 0.00 52.86 52.92 1c20 s ASN 20 Cb 0.23 0.33 0.39 0.00 -1.45 0.00 0.00 41.25 40.76 1c20 s ASN 20 CO 0.79 -0.65 1.27 0.47 -3.72 0.00 0.00 177.10 175.26 1c20 n ASP 21 N -0.89 2.65 -4.53 -4.21 8.00 -1.26 -4.91 116.55 111.39 1c20 n ASP 21 Ca -0.03 -2.16 -0.49 0.00 0.71 0.00 0.00 54.79 52.81 1c20 n ASP 21 Cb 0.60 -0.38 -0.06 0.00 -0.02 0.00 0.00 41.12 41.26 1c20 n ASP 21 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1c20 n ASP 22 N 0.59 2.59 -0.27 -2.24 2.03 -1.26 -4.82 116.55 113.16 1c20 n ASP 22 Ca 0.14 0.52 -0.05 0.00 0.52 0.00 0.00 54.79 55.92 1c20 n ASP 22 Cb 0.48 -1.33 0.09 0.00 -0.72 0.00 0.00 41.12 39.64 1c20 n ASP 22 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1c20 h PRO 23 N 11.99 1.15 -0.69 -0.67 0.14 -2.01 -2.90 132.00 139.01 1c20 h PRO 23 Ca -0.35 -0.20 0.01 0.00 0.14 0.00 0.00 66.00 65.59 1c20 h PRO 23 Cb 1.30 -0.19 -0.03 0.00 0.14 0.00 0.00 31.00 32.21 1c20 h PRO 23 CO 0.99 0.93 0.45 -0.22 0.14 0.00 0.00 178.00 180.29 1c20 h LYS 24 N 1.12 0.91 -0.98 0.86 3.64 -2.00 -1.59 116.57 118.55 1c20 h LYS 24 Ca 0.26 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.59 1c20 h LYS 24 Cb 0.21 -0.20 -0.05 0.00 -0.41 0.00 0.00 32.23 31.78 1c20 h LYS 24 CO -0.02 0.61 0.64 -0.09 -2.27 0.00 0.00 179.45 178.32 1c20 h ARG 25 N 0.94 1.29 -0.28 1.90 2.43 -1.90 0.90 114.38 119.66 1c20 h ARG 25 Ca 0.25 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 1c20 h ARG 25 Cb -0.10 -0.29 -0.01 0.00 -0.42 0.00 0.00 29.97 29.15 1c20 h ARG 25 CO -0.05 0.85 0.18 -0.22 -1.51 0.00 0.00 179.97 179.22 1c20 h LYS 26 N 1.33 0.37 -0.30 0.20 3.64 -1.21 -0.58 116.57 120.01 1c20 h LYS 26 Ca 0.36 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.71 1c20 h LYS 26 Cb -0.15 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.57 1c20 h LYS 26 CO -0.08 0.24 0.17 1.49 -2.27 0.00 0.00 179.45 179.01 1c20 h GLU 27 N 0.38 0.42 0.07 1.90 4.57 -0.51 -1.82 114.58 119.58 1c20 h GLU 27 Ca 0.10 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.23 1c20 h GLU 27 Cb -0.04 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.46 1c20 h GLU 27 CO -0.02 0.34 -0.04 0.35 -1.18 0.00 0.00 179.01 178.47 1c20 h PHE 28 N 0.38 -0.09 -0.88 0.92 3.04 -0.48 -1.08 116.94 118.75 1c20 h PHE 28 Ca 0.11 -0.00 0.01 0.00 3.98 0.00 0.00 57.97 62.06 1c20 h PHE 28 Cb 0.04 0.03 -0.04 0.00 2.56 0.00 0.00 35.95 38.54 1c20 h PHE 28 CO -0.04 -0.05 0.58 -0.07 -2.02 0.00 0.00 178.31 176.72 1c20 h LEU 29 N -0.11 1.01 -0.84 0.59 3.38 -1.04 0.26 115.31 118.56 1c20 h LEU 29 Ca -0.01 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 57.94 1c20 h LEU 29 Cb 0.08 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 1c20 h LEU 29 CO 0.02 0.73 0.56 -0.78 0.09 0.00 0.00 178.44 179.05 1c20 h ASP 30 N 1.19 0.96 -0.02 -0.43 1.82 -1.04 0.32 116.42 119.22 1c20 h ASP 30 Ca 0.32 -0.02 -0.02 0.00 -0.39 0.00 0.00 57.03 56.92 1c20 h ASP 30 Cb -0.14 -0.24 0.00 0.00 0.68 0.00 0.00 39.33 39.63 1c20 h ASP 30 CO -0.07 0.70 -0.06 0.44 -1.61 0.00 0.00 179.24 178.64 1c20 h ASP 31 N 1.14 0.09 -0.00 2.28 3.32 -0.09 -1.64 116.42 121.52 1c20 h ASP 31 Ca 0.31 -0.62 0.00 0.00 0.02 0.00 0.00 57.03 56.74 1c20 h ASP 31 Cb -0.13 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.39 1c20 h ASP 31 CO -0.07 0.69 0.00 0.25 -1.72 0.00 0.00 179.24 178.39 1c20 h LEU 32 N -0.50 0.00 -1.05 1.55 5.85 -0.40 -1.57 115.31 119.19 1c20 h LEU 32 Ca -0.00 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.73 1c20 h LEU 32 Cb 0.68 -0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.66 1c20 h LEU 32 CO 0.01 0.00 0.64 -0.26 -0.34 0.00 0.00 178.44 178.50 1c20 h PHE 33 N 0.00 1.22 -0.14 1.25 0.04 -1.01 -2.71 116.94 115.58 1c20 h PHE 33 Ca 0.00 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.80 1c20 h PHE 33 Cb 0.00 -0.41 -0.01 0.00 2.20 0.00 0.00 35.95 37.73 1c20 h PHE 33 CO -0.08 0.76 0.09 0.66 -0.60 0.00 0.00 178.31 179.15 1c20 h SER 34 N 1.31 0.16 0.29 2.17 4.64 -0.69 0.25 113.55 121.68 1c20 h SER 34 Ca 0.36 -0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.66 1c20 h SER 34 Cb -0.14 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 61.91 1c20 h SER 34 CO -0.08 0.12 -0.14 0.15 -0.87 0.00 0.00 176.83 176.01 1c20 h PHE 35 N 0.19 -0.36 0.00 4.77 3.57 -1.04 -1.78 116.94 122.30 1c20 h PHE 35 Ca 0.05 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1c20 h PHE 35 Cb -0.02 0.12 0.00 0.00 2.79 0.00 0.00 35.95 38.84 1c20 h PHE 35 CO -0.07 -0.22 0.00 0.00 -2.23 0.00 0.00 178.31 175.79 1c20 n MET 36 N -5.26 0.12 0.00 1.11 0.00 -1.05 -3.07 117.12 108.97 1c20 n MET 36 Ca -0.10 0.35 0.00 0.00 0.00 0.00 0.00 57.70 57.95 1c20 n MET 36 Cb 0.17 -1.72 0.00 0.00 0.00 0.00 0.00 33.22 31.67 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 -1.95 0.00 -0.21 3.17 7.27 0.86 -2.28 117.38 124.24 1c20 n GLN 37 Ca 0.03 0.33 0.00 0.00 0.07 0.00 0.00 57.00 57.43 1c20 n GLN 37 Cb 0.21 -1.64 0.08 0.00 2.41 0.00 0.00 30.24 31.30 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 0.04 -0.45 3.69 3.64 -1.71 0.60 116.57 122.38 1c20 h LYS 38 Ca 0.00 -0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.23 1c20 h LYS 38 Cb 0.28 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 1c20 h LYS 38 CO 0.00 0.03 -0.28 0.00 -2.27 0.00 0.00 179.45 176.93 1c20 h ARG 39 N 0.04 0.99 0.00 1.90 2.47 -1.79 -3.47 114.38 114.52 1c20 h ARG 39 Ca 0.32 -0.46 0.00 0.00 -1.26 0.00 0.00 59.98 58.58 1c20 h ARG 39 Cb 0.50 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.81 1c20 h ARG 39 CO -0.61 1.13 0.00 0.41 0.56 0.00 0.00 179.97 181.46 1c20 n GLY 40 N -0.02 1.43 3.63 0.04 0.00 0.21 -5.09 105.19 105.39 1c20 n GLY 40 Ca -0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.17 3.48 0.00 2.61 -4.23 -1.26 -4.98 115.64 109.09 1c20 s THR 41 Ca 0.00 -1.64 0.00 0.00 -1.18 0.00 0.00 61.69 58.87 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 -0.19 0.00 -0.81 -0.54 0.00 0.00 174.62 173.08 1c20 n PRO 42 N -0.30 1.85 0.00 3.99 -0.04 -1.26 -4.77 135.00 134.47 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 -0.56 0.00 -0.01 0.52 0.13 -1.26 -5.00 119.36 113.18 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 -0.25 -0.00 0.00 -0.84 0.00 0.00 39.64 38.55 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 -5.02 9.51 2.35 -1.94 -3.49 115.58 116.99 1c20 h ASN 44 Ca 0.00 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.63 1c20 h ASN 44 Cb 0.00 0.00 -0.19 0.00 0.05 0.00 0.00 38.32 38.18 1c20 h ASN 44 CO 0.00 0.11 -0.36 -0.13 -1.65 0.00 0.00 177.43 175.40 1c20 s ARG 45 N -1.14 0.65 -0.37 0.81 0.52 -1.26 -5.10 118.95 113.05 1c20 s ARG 45 Ca -0.01 -0.42 0.01 0.00 -0.52 0.00 0.00 55.73 54.80 1c20 s ARG 45 Cb 0.00 0.28 0.12 0.00 0.52 0.00 0.00 34.95 35.87 1c20 s ARG 45 CO 0.01 -0.18 0.16 -0.51 0.02 0.00 0.00 175.30 174.80 1c20 s LEU 46 N -1.67 2.65 0.29 2.53 1.43 -1.26 -5.10 118.68 117.55 1c20 s LEU 46 Ca -0.10 -2.16 -0.30 0.00 -1.03 0.00 0.00 54.13 50.54 1c20 s LEU 46 Cb -0.04 -1.00 -0.11 0.00 0.03 0.00 0.00 46.19 45.07 1c20 s LEU 46 CO 0.00 -0.34 1.56 -2.84 0.23 0.00 0.00 176.35 174.96 1c20 s PRO 47 N 0.95 4.14 -0.25 1.29 0.02 -1.26 -4.88 135.00 135.01 1c20 s PRO 47 Ca 0.14 2.53 -0.11 0.00 0.02 0.00 0.00 61.00 63.58 1c20 s PRO 47 Cb -0.21 -3.03 -0.05 0.00 0.02 0.00 0.00 34.50 31.23 1c20 s PRO 47 CO -0.11 -0.59 0.17 0.42 -0.33 0.00 0.00 177.00 176.56 1c20 s ILE 48 N -0.12 5.34 -0.97 2.83 -1.09 -1.26 -2.91 121.20 123.03 1c20 s ILE 48 Ca 0.62 0.18 -0.16 0.00 -2.23 0.00 0.00 60.65 59.06 1c20 s ILE 48 Cb -0.47 -3.51 0.17 0.00 -1.58 0.00 0.00 42.46 37.07 1c20 s ILE 48 CO 0.49 0.31 1.10 0.00 -1.23 0.00 0.00 174.94 175.61 1c20 s MET 49 N 1.31 3.73 2.47 2.79 0.23 0.31 -4.89 119.30 125.24 1c20 s MET 49 Ca 0.07 -2.16 0.00 0.00 -1.03 0.00 0.00 55.69 52.57 1c20 s MET 49 Cb -0.14 -4.81 0.00 0.00 -1.53 0.00 0.00 34.83 28.35 1c20 s MET 49 CO 0.07 -1.63 0.00 0.00 -2.03 0.00 0.00 175.02 171.43 1c20 n ALA 50 N 5.55 0.00 -0.01 3.16 0.00 -1.26 -1.05 120.51 126.90 1c20 n ALA 50 Ca 0.24 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.75 1c20 n ALA 50 Cb 0.47 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.80 1c20 n ALA 50 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1c20 n LYS 51 N 0.00 0.53 -2.96 0.00 4.81 -1.26 -4.99 118.16 114.29 1c20 n LYS 51 Ca 0.00 -0.13 -0.19 0.00 -0.87 0.00 0.00 58.31 57.12 1c20 n LYS 51 Cb 0.00 -1.36 0.02 0.00 0.02 0.00 0.00 35.03 33.71 1c20 n LYS 51 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 1c20 s SER 52 N -3.79 5.60 -0.00 3.14 0.01 -0.21 -5.12 113.70 113.33 1c20 s SER 52 Ca -0.06 -0.19 0.02 0.00 1.31 0.00 0.00 55.95 57.04 1c20 s SER 52 Cb 0.09 -0.90 -0.00 0.00 0.21 0.00 0.00 66.02 65.42 1c20 s SER 52 CO 0.62 -0.82 -0.06 0.54 0.41 0.00 0.00 173.24 173.93 1c20 s VAL 53 N -2.47 0.48 -0.51 3.43 0.11 -1.26 -0.53 120.40 119.65 1c20 s VAL 53 Ca 0.54 -0.26 -0.27 0.00 -2.93 0.00 0.00 61.98 59.06 1c20 s VAL 53 Cb -0.10 -0.41 -0.04 0.00 -1.53 0.00 0.00 36.38 34.30 1c20 s VAL 53 CO 0.35 0.14 2.08 -0.22 -3.33 0.00 0.00 175.10 174.11 1c20 s LEU 54 N -0.14 3.37 -0.30 2.54 2.96 -1.14 -4.91 118.68 121.06 1c20 s LEU 54 Ca 0.02 0.82 -0.29 0.00 -0.22 0.00 0.00 54.13 54.47 1c20 s LEU 54 Cb -0.02 -2.70 -0.01 0.00 0.50 0.00 0.00 46.19 43.95 1c20 s LEU 54 CO -0.00 -2.46 1.63 -0.62 -1.32 0.00 0.00 176.35 173.57 1c20 s ASP 55 N 9.41 6.21 0.67 3.68 -1.08 -1.26 -4.82 116.67 129.48 1c20 s ASP 55 Ca 0.82 1.33 0.29 0.00 -0.52 0.00 0.00 52.55 54.48 1c20 s ASP 55 Cb -0.17 -2.53 1.60 0.00 -1.46 0.00 0.00 42.92 40.36 1c20 s ASP 55 CO 0.25 -1.45 1.90 0.17 0.52 0.00 0.00 175.17 176.57 1c20 h LEU 56 N 12.46 0.00 -0.89 -1.34 8.10 -1.99 0.29 115.31 131.93 1c20 h LEU 56 Ca -0.32 0.00 0.01 0.00 0.11 0.00 0.00 57.88 57.68 1c20 h LEU 56 Cb 1.15 0.00 -0.04 0.00 -0.44 0.00 0.00 40.66 41.32 1c20 h LEU 56 CO 1.03 0.00 0.59 0.22 -4.11 0.00 0.00 178.44 176.17 1c20 h TYR 57 N 0.00 1.12 -1.00 0.17 5.03 -2.00 -2.41 116.97 117.88 1c20 h TYR 57 Ca 0.00 0.03 0.01 0.00 2.58 0.00 0.00 58.73 61.35 1c20 h TYR 57 Cb 0.70 -0.38 -0.05 0.00 1.55 0.00 0.00 36.73 38.55 1c20 h TYR 57 CO 0.00 0.71 0.66 0.93 -1.32 0.00 0.00 178.16 179.14 1c20 h GLU 58 N 1.21 1.32 -0.30 1.82 4.39 -1.32 -2.24 114.58 119.46 1c20 h GLU 58 Ca 0.33 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.95 1c20 h GLU 58 Cb -0.14 -0.30 -0.01 0.00 -0.10 0.00 0.00 28.75 28.20 1c20 h GLU 58 CO -0.07 0.88 0.20 1.25 -1.16 0.00 0.00 179.01 180.10 1c20 h LEU 59 N 1.36 0.34 -0.00 1.33 5.85 -1.56 -1.81 115.31 120.83 1c20 h LEU 59 Ca 0.37 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.07 1c20 h LEU 59 Cb -0.15 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 40.79 1c20 h LEU 59 CO -0.08 0.25 0.00 0.22 -0.34 0.00 0.00 178.44 178.50 1c20 h TYR 60 N 0.40 0.00 -0.96 1.25 3.20 -1.28 -0.14 116.97 119.43 1c20 h TYR 60 Ca 0.11 0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.99 1c20 h TYR 60 Cb -0.04 -0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.18 1c20 h TYR 60 CO -0.06 0.00 0.64 -0.91 -1.64 0.00 0.00 178.16 176.19 1c20 h ASN 61 N 0.00 1.11 -0.59 -2.11 -0.26 -1.29 -1.68 115.58 110.76 1c20 h ASN 61 Ca 0.00 -0.03 -0.07 0.00 -0.56 0.00 0.00 56.30 55.64 1c20 h ASN 61 Cb 0.00 -0.28 -0.03 0.00 -1.06 0.00 0.00 38.32 36.96 1c20 h ASN 61 CO -0.00 0.80 0.09 -0.07 -1.06 0.00 0.00 177.43 177.19 1c20 h LEU 62 N 1.31 0.97 0.27 1.61 3.38 -1.03 -1.04 115.31 120.79 1c20 h LEU 62 Ca 0.35 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1c20 h LEU 62 Cb -0.15 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.35 1c20 h LEU 62 CO -0.08 0.97 -0.13 0.58 0.09 0.00 0.00 178.44 179.88 1c20 h VAL 63 N 0.95 0.73 -0.95 1.22 2.07 -0.13 -2.23 116.25 117.91 1c20 h VAL 63 Ca 0.19 -0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.70 1c20 h VAL 63 Cb 0.43 0.73 -0.05 0.00 -1.52 0.00 0.00 31.29 30.89 1c20 h VAL 63 CO 0.01 0.00 0.57 0.40 0.02 0.00 0.00 177.57 178.57 1c20 h ILE 64 N -0.37 1.26 0.00 4.57 2.04 -1.31 0.37 117.51 124.07 1c20 h ILE 64 Ca -0.04 -0.57 0.00 0.00 1.00 0.00 0.00 64.86 65.25 1c20 h ILE 64 Cb 0.28 -0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.29 1c20 h ILE 64 CO 0.06 0.28 0.32 0.00 0.00 0.00 0.00 178.15 178.81 1c20 h ALA 65 N 1.31 1.30 -0.59 1.87 0.00 -0.60 1.07 119.26 123.63 1c20 h ALA 65 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1c20 h ALA 65 Cb -0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1c20 h ALA 65 CO -0.06 -0.30 0.00 0.54 0.00 0.00 0.00 179.25 179.43 1c20 n ARG 66 N -2.65 2.47 -0.00 0.00 5.12 0.11 -4.91 116.66 116.80 1c20 n ARG 66 Ca -0.02 -2.27 0.00 0.00 -1.93 0.00 0.00 57.85 53.63 1c20 n ARG 66 Cb 0.36 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.16 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 1.51 0.98 0.00 -0.13 0.00 0.37 -4.60 105.19 103.32 1c20 n GLY 67 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 4.56 0.07 -0.02 0.00 -1.15 -4.78 105.19 101.87 1c20 n GLY 68 Ca 0.00 -1.28 -0.11 0.00 0.00 0.00 0.00 46.02 44.63 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 0.12 -1.23 0.99 5.85 -1.93 -1.84 115.31 117.27 1c20 h LEU 69 Ca 0.00 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.72 1c20 h LEU 69 Cb 0.00 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 1c20 h LEU 69 CO 0.00 0.09 0.52 0.58 -0.34 0.00 0.00 178.44 179.29 1c20 h VAL 70 N 0.14 1.20 -0.91 1.05 2.07 -1.96 -1.25 116.25 116.59 1c20 h VAL 70 Ca 0.04 -0.37 -0.02 0.00 0.82 0.00 0.00 66.70 67.17 1c20 h VAL 70 Cb -0.01 0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 29.75 1c20 h VAL 70 CO -0.01 0.19 0.50 0.44 0.02 0.00 0.00 177.57 178.72 1c20 h ASP 71 N 1.06 1.14 -0.00 0.57 3.32 -1.71 -1.06 116.42 119.74 1c20 h ASP 71 Ca 0.29 -0.10 -0.00 0.00 0.02 0.00 0.00 57.03 57.24 1c20 h ASP 71 Cb -0.12 -0.29 -0.00 0.00 0.22 0.00 0.00 39.33 39.14 1c20 h ASP 71 CO -0.06 0.91 0.00 0.58 -1.72 0.00 0.00 179.24 178.95 1c20 h VAL 72 N 1.27 1.13 0.01 -1.35 2.07 -0.46 -1.09 116.25 117.84 1c20 h VAL 72 Ca 0.32 -0.39 -0.00 0.00 0.82 0.00 0.00 66.70 67.45 1c20 h VAL 72 Cb 0.02 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 1c20 h VAL 72 CO -0.05 0.10 -0.00 0.40 0.02 0.00 0.00 177.57 178.04 1c20 h ILE 73 N -0.16 0.99 -0.95 4.57 2.04 -1.08 1.65 117.51 124.56 1c20 h ILE 73 Ca 0.00 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1c20 h ILE 73 Cb 0.17 1.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.20 1c20 h ILE 73 CO -0.00 0.00 0.59 -1.13 0.00 0.00 0.00 178.15 177.62 1c20 h ASN 74 N -0.02 1.12 -0.02 1.72 -0.73 -1.18 -1.97 115.58 114.51 1c20 h ASN 74 Ca -0.00 -0.05 0.00 0.00 1.87 0.00 0.00 56.30 58.11 1c20 h ASN 74 Cb 0.01 -0.28 0.00 0.00 0.27 0.00 0.00 38.32 38.32 1c20 h ASN 74 CO 0.00 0.84 0.00 0.29 -0.37 0.00 0.00 177.43 178.19 1c20 n LYS 75 N -4.38 1.85 -3.63 6.67 5.02 -0.42 -4.83 118.16 118.44 1c20 n LYS 75 Ca 0.11 -1.23 -0.30 0.00 -2.02 0.00 0.00 58.31 54.87 1c20 n LYS 75 Cb 0.04 -1.47 0.05 0.00 -0.02 0.00 0.00 35.03 33.62 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 0.50 -1.34 -0.67 1.97 4.81 0.55 -4.87 118.16 119.11 1c20 n LYS 76 Ca 0.18 0.51 0.08 0.00 -0.87 0.00 0.00 58.31 58.21 1c20 n LYS 76 Cb 0.42 -4.33 0.35 0.00 0.02 0.00 0.00 35.03 31.50 1c20 n LYS 76 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1c20 n LEU 77 N -4.07 4.91 -0.16 3.14 4.77 -0.44 -4.49 117.00 120.66 1c20 n LEU 77 Ca -0.09 -2.66 0.02 0.00 -0.03 0.00 0.00 56.01 53.25 1c20 n LEU 77 Cb 0.59 -0.59 0.30 0.00 -2.33 0.00 0.00 43.42 41.39 1c20 n LEU 77 CO 0.66 0.73 1.22 -0.50 -1.33 0.00 0.00 177.39 178.17 1c20 h TRP 78 N 3.68 0.82 -0.92 -1.77 4.06 -1.89 -1.37 115.95 118.56 1c20 h TRP 78 Ca 0.00 0.02 0.08 0.00 2.06 0.00 0.00 58.89 61.05 1c20 h TRP 78 Cb 1.60 -0.28 -0.06 0.00 -1.00 0.00 0.00 29.16 29.41 1c20 h TRP 78 CO 0.82 0.52 0.59 1.96 -3.56 0.00 0.00 178.44 178.77 1c20 h GLN 79 N 0.89 0.95 -1.01 0.49 1.08 -1.98 -0.91 115.11 114.62 1c20 h GLN 79 Ca 0.24 -0.06 0.01 0.00 -1.45 0.00 0.00 58.65 57.39 1c20 h GLN 79 Cb -0.10 -0.21 -0.05 0.00 -0.05 0.00 0.00 27.48 27.06 1c20 h GLN 79 CO -0.05 0.63 0.67 1.49 -0.95 0.00 0.00 178.83 180.61 1c20 h GLU 80 N 0.97 1.33 0.60 1.46 4.81 -1.58 1.04 114.58 123.21 1c20 h GLU 80 Ca 0.41 -0.08 -0.03 0.00 -0.13 0.00 0.00 59.36 59.53 1c20 h GLU 80 Cb 0.32 -0.30 0.01 0.00 0.63 0.00 0.00 28.75 29.40 1c20 h GLU 80 CO -0.17 0.88 -0.29 0.82 -0.73 0.00 0.00 179.01 179.52 1c20 h ILE 81 N 1.37 0.00 -0.14 2.32 2.04 -1.15 2.04 117.51 124.00 1c20 h ILE 81 Ca 0.37 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 66.18 1c20 h ILE 81 Cb -0.16 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 35.92 1c20 h ILE 81 CO -0.08 0.00 0.06 0.16 0.00 0.00 0.00 178.15 178.29 1c20 h ILE 82 N -0.85 1.15 -0.98 -0.67 3.07 -1.46 -2.42 117.51 115.34 1c20 h ILE 82 Ca -0.08 -0.45 0.01 0.00 1.55 0.00 0.00 64.86 65.89 1c20 h ILE 82 Cb 0.62 1.19 -0.05 0.00 -0.27 0.00 0.00 36.82 38.31 1c20 h ILE 82 CO 0.14 0.14 0.64 0.50 -1.05 0.00 0.00 178.15 178.51 1c20 h LYS 83 N 0.07 1.31 -1.00 0.16 3.64 0.11 -1.49 116.57 119.36 1c20 h LYS 83 Ca 0.05 -0.09 0.20 0.00 -1.27 0.00 0.00 60.65 59.54 1c20 h LYS 83 Cb 0.17 -0.29 -0.11 0.00 -0.41 0.00 0.00 32.23 31.59 1c20 h LYS 83 CO -0.00 0.88 0.61 0.78 -2.27 0.00 0.00 179.45 179.44 1c20 h GLY 84 N 1.34 1.77 0.00 5.01 0.00 0.38 -3.31 103.07 108.26 1c20 h GLY 84 Ca 0.36 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 47.35 1c20 h GLY 84 CO -0.08 -0.10 0.00 1.04 0.00 0.00 0.00 176.54 177.41 1c20 n LEU 85 N -4.77 1.30 0.00 3.11 4.77 -0.65 -5.06 117.00 115.70 1c20 n LEU 85 Ca 0.24 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 1c20 n LEU 85 Cb 0.62 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 1c20 n LEU 85 CO 0.21 -0.06 0.00 1.41 -1.33 0.00 0.00 177.39 177.61 1c20 n HIS 86 N -1.16 0.00 -3.58 -1.77 8.25 -0.68 -5.11 115.22 111.16 1c20 n HIS 86 Ca 0.00 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.08 1c20 n HIS 86 Cb 0.00 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.00 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 0.00 4.06 0.00 2.41 1.02 -1.26 -4.90 118.68 120.00 1c20 s LEU 87 Ca 0.00 -0.04 0.00 0.00 0.02 0.00 0.00 54.13 54.11 1c20 s LEU 87 Cb 0.00 -2.13 0.00 0.00 0.02 0.00 0.00 46.19 44.08 1c20 s LEU 87 CO 0.00 -0.07 0.45 -2.65 0.02 0.00 0.00 176.35 174.10 1c20 n PRO 88 N 5.07 0.00 -1.75 1.29 -0.01 -1.26 -3.77 135.00 134.57 1c20 n PRO 88 Ca -0.14 0.04 -0.38 0.00 -0.01 0.00 0.00 63.50 63.01 1c20 n PRO 88 Cb 0.52 -0.95 0.05 0.00 -0.01 0.00 0.00 33.50 33.11 1c20 n PRO 88 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 175.50 175.92 1c20 n SER 89 N -0.48 7.51 0.00 2.55 7.64 -1.26 -4.72 113.62 124.86 1c20 n SER 89 Ca 0.00 -3.82 0.00 0.00 1.01 0.00 0.00 58.87 56.06 1c20 n SER 89 Cb 0.00 -1.02 0.00 0.00 -1.01 0.00 0.00 64.21 62.18 1c20 n SER 89 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1c20 n SER 90 N -0.66 0.00 -1.44 6.43 3.41 -1.25 -4.79 113.62 115.33 1c20 n SER 90 Ca 0.56 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.17 1c20 n SER 90 Cb 0.38 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 1c20 n SER 90 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1c20 n ILE 91 N -1.95 -2.17 -0.31 -1.33 3.06 -1.26 -4.95 119.36 110.45 1c20 n ILE 91 Ca 0.00 1.08 0.00 0.00 -2.50 0.00 0.00 62.75 61.33 1c20 n ILE 91 Cb 0.00 -1.77 0.00 0.00 0.54 0.00 0.00 39.64 38.41 1c20 n ILE 91 CO 0.00 0.00 0.00 0.35 -2.50 0.00 0.00 176.55 174.40 1c20 n THR 92 N -2.38 0.00 -0.17 9.51 -2.24 -1.26 -4.75 114.28 113.00 1c20 n THR 92 Ca 0.00 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.76 1c20 n THR 92 Cb 0.33 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.54 1c20 n THR 92 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1c20 n SER 93 N 0.00 0.95 -0.16 3.42 2.88 -1.26 -4.37 113.62 115.08 1c20 n SER 93 Ca 0.00 -1.61 -0.07 0.00 -1.33 0.00 0.00 58.87 55.86 1c20 n SER 93 Cb 0.00 -0.25 0.02 0.00 -0.75 0.00 0.00 64.21 63.23 1c20 n SER 93 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1c20 h ALA 94 N 5.11 0.62 -0.95 -1.46 0.00 -1.94 -1.50 119.26 119.14 1c20 h ALA 94 Ca 0.03 -0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.01 1c20 h ALA 94 Cb 0.26 -0.20 -0.08 0.00 0.00 0.00 0.00 17.79 17.77 1c20 h ALA 94 CO 0.37 0.07 0.59 0.00 0.00 0.00 0.00 179.25 180.28 1c20 h ALA 95 N 1.18 1.41 -1.00 0.00 0.00 -1.93 0.94 119.26 119.86 1c20 h ALA 95 Ca 0.18 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.12 1c20 h ALA 95 Cb -0.08 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.47 1c20 h ALA 95 CO -0.04 0.21 0.66 0.35 0.00 0.00 0.00 179.25 180.43 1c20 h PHE 96 N 0.95 1.26 -0.65 0.00 3.57 -1.64 -1.86 116.94 118.57 1c20 h PHE 96 Ca 0.46 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.90 1c20 h PHE 96 Cb 0.43 -0.42 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 1c20 h PHE 96 CO -0.02 0.80 0.06 1.15 -2.23 0.00 0.00 178.31 178.07 1c20 h THR 97 N 1.35 1.27 0.01 4.41 2.02 -0.23 -2.96 112.91 118.78 1c20 h THR 97 Ca 0.36 -1.10 -0.00 0.00 0.77 0.00 0.00 66.41 66.45 1c20 h THR 97 Cb -0.15 0.70 0.00 0.00 -1.74 0.00 0.00 68.15 66.96 1c20 h THR 97 CO -0.08 0.41 -0.00 -0.07 0.37 0.00 0.00 175.52 176.15 1c20 h LEU 98 N 1.02 -0.01 -1.01 2.58 3.38 -0.48 -2.47 115.31 118.33 1c20 h LEU 98 Ca 0.19 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.94 1c20 h LEU 98 Cb 0.50 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.20 1c20 h LEU 98 CO 0.02 0.23 0.67 0.08 0.09 0.00 0.00 178.44 179.52 1c20 h ARG 99 N -0.24 1.33 -0.10 1.13 0.11 -1.36 -0.92 114.38 114.32 1c20 h ARG 99 Ca -0.00 -0.08 -0.08 0.00 0.10 0.00 0.00 59.98 59.92 1c20 h ARG 99 Cb 0.24 -0.30 0.00 0.00 1.11 0.00 0.00 29.97 31.02 1c20 h ARG 99 CO 0.00 0.88 -0.24 0.00 0.10 0.00 0.00 179.97 180.71 1c20 h THR 100 N 1.36 1.39 -0.75 0.08 1.03 -1.53 -2.45 112.91 112.05 1c20 h THR 100 Ca 0.37 -1.55 0.00 0.00 -0.01 0.00 0.00 66.41 65.22 1c20 h THR 100 Cb -0.16 2.14 -0.04 0.00 -1.07 0.00 0.00 68.15 69.03 1c20 h THR 100 CO -0.08 0.45 0.49 1.56 -0.01 0.00 0.00 175.52 177.93 1c20 h GLN 101 N -0.11 1.00 -0.01 0.00 4.20 -1.31 0.05 115.11 118.93 1c20 h GLN 101 Ca -0.00 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.64 1c20 h GLN 101 Cb 0.84 -0.22 -0.00 0.00 0.30 0.00 0.00 27.48 28.40 1c20 h GLN 101 CO 0.05 0.67 0.00 -0.92 -0.67 0.00 0.00 178.83 177.97 1c20 h TYR 102 N 1.03 0.00 0.00 2.96 5.03 -1.18 -1.66 116.97 123.15 1c20 h TYR 102 Ca 0.28 0.00 -0.03 0.00 2.58 0.00 0.00 58.73 61.56 1c20 h TYR 102 Cb -0.10 -0.00 -0.00 0.00 1.55 0.00 0.00 36.73 38.18 1c20 h TYR 102 CO -0.02 0.00 -0.13 0.52 -1.32 0.00 0.00 178.16 177.21 1c20 h MET 103 N 0.01 0.00 -1.00 1.82 2.86 -1.02 1.01 114.93 118.61 1c20 h MET 103 Ca 0.01 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.66 1c20 h MET 103 Cb 0.00 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.61 1c20 h MET 103 CO -0.01 0.13 0.66 -0.22 1.06 0.00 0.00 176.91 178.54 1c20 h LYS 104 N 0.00 1.31 0.00 1.72 1.63 0.00 -3.38 116.57 117.86 1c20 h LYS 104 Ca -0.00 -0.08 0.00 0.00 -0.85 0.00 0.00 60.65 59.72 1c20 h LYS 104 Cb 0.25 -0.30 0.00 0.00 -0.60 0.00 0.00 32.23 31.59 1c20 h LYS 104 CO 0.02 0.87 0.00 0.66 -3.45 0.00 0.00 179.45 177.55 1c20 n TYR 105 N -4.38 0.00 0.31 1.91 4.01 -1.05 -4.90 117.16 113.06 1c20 n TYR 105 Ca 0.12 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.95 1c20 n TYR 105 Cb 0.01 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 38.92 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 0.32 -0.02 7.72 4.77 0.34 -4.21 117.00 125.92 1c20 n LEU 106 Ca 0.00 -0.19 -0.08 0.00 -0.03 0.00 0.00 56.01 55.71 1c20 n LEU 106 Cb 0.05 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.22 1c20 n LEU 106 CO 0.00 0.08 0.57 0.22 -1.33 0.00 0.00 177.39 176.93 1c20 h TYR 107 N 0.00 0.72 -0.06 -1.77 3.20 -1.53 -1.60 116.97 115.93 1c20 h TYR 107 Ca 0.00 -0.22 -0.19 0.00 3.14 0.00 0.00 58.73 61.46 1c20 h TYR 107 Cb 0.70 -0.15 -0.00 0.00 1.54 0.00 0.00 36.73 38.81 1c20 h TYR 107 CO 0.00 0.93 -0.77 -1.00 -1.64 0.00 0.00 178.16 175.68 1c20 h PRO 108 N 0.49 0.40 0.04 1.82 0.14 -1.85 -2.90 132.00 130.13 1c20 h PRO 108 Ca 0.04 -0.34 -0.00 0.00 0.14 0.00 0.00 66.00 65.83 1c20 h PRO 108 Cb 0.95 0.08 0.00 0.00 0.14 0.00 0.00 31.00 32.17 1c20 h PRO 108 CO 0.09 0.99 -0.02 -0.92 0.14 0.00 0.00 178.00 178.28 1c20 h TYR 109 N 0.26 -0.05 -0.21 1.56 3.20 -1.71 0.90 116.97 120.93 1c20 h TYR 109 Ca -0.04 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.87 1c20 h TYR 109 Cb 1.36 0.02 -0.04 0.00 1.54 0.00 0.00 36.73 39.60 1c20 h TYR 109 CO 0.05 0.34 -0.05 1.49 -1.64 0.00 0.00 178.16 178.34 1c20 h GLU 110 N -0.44 -0.00 -0.57 1.82 4.81 -1.36 -0.33 114.58 118.50 1c20 h GLU 110 Ca -0.01 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.16 1c20 h GLU 110 Cb 0.41 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.77 1c20 h GLU 110 CO 0.01 -0.00 0.10 0.00 -0.73 0.00 0.00 179.01 178.39 1c20 h GLU 112 N 0.84 0.00 -0.16 0.00 4.81 -0.32 2.07 114.58 121.82 1c20 h GLU 112 Ca 0.17 -0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 59.18 1c20 h GLU 112 Cb 0.41 -0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.80 1c20 h GLU 112 CO 0.01 0.19 -0.77 0.87 -0.73 0.00 0.00 179.01 178.58 1c20 h LYS 113 N -0.18 0.81 0.00 1.92 1.79 -1.05 -3.38 116.57 116.47 1c20 h LYS 113 Ca 0.00 -0.65 -0.04 0.00 -2.18 0.00 0.00 60.65 57.78 1c20 h LYS 113 Cb 0.19 0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 30.96 1c20 h LYS 113 CO -0.00 1.26 -1.37 1.63 -1.08 0.00 0.00 179.45 179.89 1c20 n LYS 114 N -3.94 1.11 -3.59 3.15 4.76 0.50 -5.03 118.16 115.12 1c20 n LYS 114 Ca -0.07 -0.04 -0.21 0.00 -2.87 0.00 0.00 58.31 55.12 1c20 n LYS 114 Cb 0.74 -1.17 0.05 0.00 -1.84 0.00 0.00 35.03 32.81 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 -1.91 -2.46 -0.23 4.39 5.15 0.70 -4.88 115.26 116.02 1c20 n ASN 115 Ca -0.04 -0.79 -0.08 0.00 -0.60 0.00 0.00 54.58 53.07 1c20 n ASN 115 Cb 0.36 -4.35 0.04 0.00 -0.53 0.00 0.00 39.78 35.29 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 -1.78 1.07 0.00 1.20 3.38 -1.77 -3.47 115.31 113.94 1c20 h LEU 116 Ca -0.61 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.07 1c20 h LEU 116 Cb 1.35 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 41.81 1c20 h LEU 116 CO 0.53 1.08 -0.00 -1.54 0.09 0.00 0.00 178.44 178.59 1c20 n SER 117 N -4.20 -0.07 -4.20 -0.43 3.41 -1.26 -5.12 113.62 101.75 1c20 n SER 117 Ca 0.04 -1.08 -0.18 0.00 -0.26 0.00 0.00 58.87 57.39 1c20 n SER 117 Cb 0.31 0.12 -0.11 0.00 -0.26 0.00 0.00 64.21 64.27 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 -2.52 1.18 0.66 6.66 -4.23 -1.26 -4.98 115.64 111.16 1c20 s THR 118 Ca 0.01 -1.51 0.25 0.00 -1.18 0.00 0.00 61.69 59.26 1c20 s THR 118 Cb -0.00 -1.29 0.25 0.00 1.34 0.00 0.00 72.50 72.80 1c20 s THR 118 CO 0.01 -0.34 1.76 1.55 -0.54 0.00 0.00 174.62 177.06 1c20 h PRO 119 N 3.90 0.00 0.40 3.99 0.13 -2.02 -1.67 132.00 136.73 1c20 h PRO 119 Ca -0.40 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.71 1c20 h PRO 119 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1c20 h PRO 119 CO 0.46 0.00 -0.19 0.00 -0.23 0.00 0.00 178.00 178.03 1c20 h ALA 120 N 1.10 -0.54 0.00 -0.56 0.00 -2.01 -2.72 119.26 114.54 1c20 h ALA 120 Ca 0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1c20 h ALA 120 Cb 0.90 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 1c20 h ALA 120 CO -0.00 -0.63 -0.14 1.05 0.00 0.00 0.00 179.25 179.53 1c20 h GLU 121 N -0.87 0.00 -0.52 0.00 4.11 -1.74 -2.65 114.58 112.90 1c20 h GLU 121 Ca -0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.38 1c20 h GLU 121 Cb 0.55 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 1c20 h GLU 121 CO 0.09 0.14 0.34 1.25 0.07 0.00 0.00 179.01 180.90 1c20 h LEU 122 N 0.00 0.60 -1.01 3.06 5.85 -1.25 0.74 115.31 123.30 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 0.60 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.44 1c20 h LEU 122 CO 0.02 0.44 0.67 -0.61 -0.34 0.00 0.00 178.44 178.61 1c20 h GLN 123 N 0.71 1.33 -1.00 1.25 5.75 -1.16 0.63 115.11 122.62 1c20 h GLN 123 Ca 0.19 -0.08 0.01 0.00 -0.15 0.00 0.00 58.65 58.62 1c20 h GLN 123 Cb -0.08 -0.30 -0.05 0.00 1.07 0.00 0.00 27.48 28.12 1c20 h GLN 123 CO -0.04 0.88 0.66 0.00 -2.65 0.00 0.00 178.83 177.68 1c20 h ALA 124 N 1.37 1.29 -0.52 3.38 0.00 -1.06 1.13 119.26 124.86 1c20 h ALA 124 Ca 0.37 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.13 1c20 h ALA 124 Cb -0.16 -0.40 -0.02 0.00 0.00 0.00 0.00 17.79 17.21 1c20 h ALA 124 CO -0.08 0.66 0.01 0.00 0.00 0.00 0.00 179.25 179.83 1c20 h ALA 125 N 1.38 0.70 -0.30 0.00 0.00 0.84 0.24 119.26 122.12 1c20 h ALA 125 Ca 0.37 -0.28 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 1c20 h ALA 125 Cb -0.15 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.45 1c20 h ALA 125 CO -0.08 0.50 -0.34 0.82 0.00 0.00 0.00 179.25 180.15 1c20 h ILE 126 N 0.78 1.29 -0.68 0.00 2.04 0.12 -2.97 117.51 118.08 1c20 h ILE 126 Ca 0.15 -1.52 -0.08 0.00 1.00 0.00 0.00 64.86 64.41 1c20 h ILE 126 Cb 0.51 1.56 -0.03 0.00 -0.74 0.00 0.00 36.82 38.13 1c20 h ILE 126 CO 0.03 0.49 0.12 -0.78 0.00 0.00 0.00 178.15 178.01 1c20 h ASP 127 N 0.53 1.07 -0.12 1.72 1.82 0.15 -2.56 116.42 119.03 1c20 h ASP 127 Ca 0.04 -0.25 0.00 0.00 -0.39 0.00 0.00 57.03 56.43 1c20 h ASP 127 Cb 0.92 -0.28 -0.01 0.00 0.68 0.00 0.00 39.33 40.64 1c20 h ASP 127 CO 0.08 1.05 0.08 1.23 -1.61 0.00 0.00 179.24 180.07 1c20 h GLY 128 N 1.05 0.15 1.02 -0.78 0.00 -0.45 -1.52 103.07 102.54 1c20 h GLY 128 Ca 0.21 -0.06 0.01 0.00 0.00 0.00 0.00 47.33 47.49 1c20 h GLY 128 CO 0.01 0.05 0.66 3.43 0.00 0.00 0.00 176.54 180.70 1c20 h ASN 129 N 0.14 1.15 0.00 0.19 2.35 -1.30 -3.51 115.58 114.61 1c20 h ASN 129 Ca 0.04 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1c20 h ASN 129 Cb 0.00 -0.29 0.00 0.00 0.05 0.00 0.00 38.32 38.08 1c20 h ASN 129 CO -0.01 0.84 0.00 -1.14 -1.65 0.00 0.00 177.43 175.47