#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c20 s TRP 4 N 0.00 2.63 0.05 1.61 -0.00 -1.26 -5.10 118.94 116.87 1c20 s TRP 4 Ca 0.00 -0.34 0.00 0.00 -0.00 0.00 0.00 56.10 55.77 1c20 s TRP 4 Cb 0.00 -1.64 -0.03 0.00 -0.00 0.00 0.00 33.47 31.80 1c20 s TRP 4 CO 0.00 0.05 -0.04 -1.54 -0.00 0.00 0.00 176.95 175.42 1c20 s SER 5 N -0.49 0.61 0.21 5.86 1.04 -1.26 -5.03 113.70 114.64 1c20 s SER 5 Ca 0.06 -0.85 -0.08 0.00 0.48 0.00 0.00 55.95 55.57 1c20 s SER 5 Cb -0.12 0.14 0.16 0.00 0.10 0.00 0.00 66.02 66.30 1c20 s SER 5 CO 0.01 -0.47 1.77 2.19 0.98 0.00 0.00 173.24 177.73 1c20 h PHE 6 N 3.57 1.22 -0.06 5.02 -0.00 -2.00 -1.81 116.94 122.88 1c20 h PHE 6 Ca -0.34 -0.10 -0.04 0.00 -0.00 0.00 0.00 57.97 57.49 1c20 h PHE 6 Cb 1.17 -0.36 -0.01 0.00 -0.00 0.00 0.00 35.95 36.75 1c20 h PHE 6 CO 0.58 0.93 -0.16 0.93 -0.00 0.00 0.00 178.31 180.59 1c20 h GLU 7 N 1.16 0.09 -0.96 6.09 5.08 -2.00 -2.04 114.58 122.00 1c20 h GLU 7 Ca 0.26 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1c20 h GLU 7 Cb 0.23 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.42 1c20 h GLU 7 CO -0.02 0.25 0.59 1.49 -1.00 0.00 0.00 179.01 180.32 1c20 h GLU 8 N 0.08 1.30 -0.03 2.33 4.81 -1.73 -0.80 114.58 120.53 1c20 h GLU 8 Ca 0.02 -0.11 -0.10 0.00 -0.13 0.00 0.00 59.36 59.03 1c20 h GLU 8 Cb 0.34 -0.28 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 1c20 h GLU 8 CO 0.02 0.90 -0.46 1.96 -0.73 0.00 0.00 179.01 180.70 1c20 h GLN 9 N 1.32 0.08 0.16 1.92 1.08 -1.25 -3.00 115.11 115.42 1c20 h GLN 9 Ca 0.35 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.50 1c20 h GLN 9 Cb -0.07 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.36 1c20 h GLN 9 CO -0.07 0.53 -0.08 0.35 -0.95 0.00 0.00 178.83 178.61 1c20 h PHE 10 N 0.07 -0.20 -0.19 2.96 3.57 -0.83 -2.79 116.94 119.52 1c20 h PHE 10 Ca 0.00 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 1c20 h PHE 10 Cb 0.84 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.64 1c20 h PHE 10 CO 0.01 0.06 0.06 1.57 -2.23 0.00 0.00 178.31 177.77 1c20 h LYS 11 N -0.45 0.26 -1.00 1.11 2.10 -1.39 -1.41 116.57 115.79 1c20 h LYS 11 Ca -0.02 -0.03 0.01 0.00 -2.00 0.00 0.00 60.65 58.61 1c20 h LYS 11 Cb 0.35 -0.05 -0.05 0.00 -0.90 0.00 0.00 32.23 31.58 1c20 h LYS 11 CO 0.04 0.24 0.66 1.96 -2.00 0.00 0.00 179.45 180.35 1c20 h GLN 12 N 0.27 1.32 -1.00 0.07 4.20 -1.36 -0.58 115.11 118.02 1c20 h GLN 12 Ca 0.07 -0.08 0.10 0.00 0.06 0.00 0.00 58.65 58.79 1c20 h GLN 12 Cb 0.09 -0.30 -0.08 0.00 0.30 0.00 0.00 27.48 27.50 1c20 h GLN 12 CO -0.00 0.88 0.64 0.28 -0.67 0.00 0.00 178.83 179.95 1c20 h VAL 13 N 1.36 0.99 -0.84 -0.54 2.07 -0.99 0.43 116.25 118.73 1c20 h VAL 13 Ca 0.37 -0.37 0.15 0.00 0.82 0.00 0.00 66.70 67.67 1c20 h VAL 13 Cb -0.15 -0.18 -0.06 0.00 -1.52 0.00 0.00 31.29 29.37 1c20 h VAL 13 CO -0.08 0.20 0.55 -0.09 0.02 0.00 0.00 177.57 178.17 1c20 h ARG 14 N 1.08 0.55 -0.19 1.57 2.43 -1.06 0.50 114.38 119.26 1c20 h ARG 14 Ca 0.47 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.60 1c20 h ARG 14 Cb 0.34 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 1c20 h ARG 14 CO -0.22 0.37 0.10 -0.56 -1.51 0.00 0.00 179.97 178.14 1c20 h GLN 15 N 0.57 0.26 -0.31 0.20 -0.00 -0.03 -2.04 115.11 113.76 1c20 h GLN 15 Ca 0.42 -0.02 0.00 0.00 -0.00 0.00 0.00 58.65 59.05 1c20 h GLN 15 Cb 0.80 -0.06 -0.02 0.00 -0.00 0.00 0.00 27.48 28.21 1c20 h GLN 15 CO -0.17 0.20 0.21 -0.07 -0.00 0.00 0.00 178.83 179.00 1c20 h LEU 16 N 0.26 0.36 -0.89 0.06 3.38 0.10 -1.71 115.31 116.88 1c20 h LEU 16 Ca 0.07 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1c20 h LEU 16 Cb 0.02 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 1c20 h LEU 16 CO -0.01 0.27 0.47 1.88 0.09 0.00 0.00 178.44 181.13 1c20 h TYR 17 N 0.42 1.24 0.00 1.13 0.05 -1.34 -2.03 116.97 116.44 1c20 h TYR 17 Ca 0.11 -0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.86 1c20 h TYR 17 Cb -0.04 -0.39 0.00 0.00 1.01 0.00 0.00 36.73 37.30 1c20 h TYR 17 CO -0.05 0.86 0.00 0.39 -1.05 0.00 0.00 178.16 178.31 1c20 n GLU 18 N -4.33 0.68 -0.37 4.88 1.02 -0.71 -3.75 120.64 118.07 1c20 n GLU 18 Ca 0.09 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.28 1c20 n GLU 18 Cb 0.11 -1.37 0.21 0.00 -0.02 0.00 0.00 31.44 30.37 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 0.99 -2.52 -3.67 2.04 -0.68 -3.46 117.51 110.21 1c20 h ILE 19 Ca 0.00 -0.37 0.18 0.00 1.00 0.00 0.00 64.86 65.68 1c20 h ILE 19 Cb 0.00 -0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 35.87 1c20 h ILE 19 CO 0.00 0.20 0.63 0.54 0.00 0.00 0.00 178.15 179.52 1c20 s ASN 20 N -5.78 0.02 0.00 1.72 2.20 -1.25 -5.00 114.94 106.85 1c20 s ASN 20 Ca -0.12 -0.64 0.19 0.00 -0.94 0.00 0.00 52.86 51.34 1c20 s ASN 20 Cb 0.21 0.46 0.63 0.00 -2.00 0.00 0.00 41.25 40.55 1c20 s ASN 20 CO 0.81 -0.92 1.47 -0.90 -2.94 0.00 0.00 177.10 174.63 1c20 n ASP 21 N -1.28 1.85 -4.44 3.54 5.75 -1.26 -4.91 116.55 115.81 1c20 n ASP 21 Ca -0.01 -1.79 -0.51 0.00 -0.01 0.00 0.00 54.79 52.46 1c20 n ASP 21 Cb 0.59 -0.15 -0.07 0.00 -1.03 0.00 0.00 41.12 40.46 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 0.46 2.08 0.08 -1.12 2.03 -1.26 -4.80 116.55 114.02 1c20 n ASP 22 Ca 0.15 0.44 0.02 0.00 0.52 0.00 0.00 54.79 55.93 1c20 n ASP 22 Cb 0.34 -1.24 0.38 0.00 -0.72 0.00 0.00 41.12 39.88 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 12.09 0.34 -0.77 -0.67 0.14 -2.01 -2.77 132.00 138.35 1c20 h PRO 23 Ca -0.27 -0.06 0.01 0.00 0.14 0.00 0.00 66.00 65.81 1c20 h PRO 23 Cb 1.33 -0.05 -0.04 0.00 0.14 0.00 0.00 31.00 32.37 1c20 h PRO 23 CO 1.02 0.40 0.50 -0.22 0.14 0.00 0.00 178.00 179.84 1c20 h LYS 24 N 0.33 1.01 -0.92 0.86 3.64 -2.01 -2.03 116.57 117.45 1c20 h LYS 24 Ca 0.07 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 1c20 h LYS 24 Cb 0.29 -0.23 -0.04 0.00 -0.41 0.00 0.00 32.23 31.84 1c20 h LYS 24 CO 0.01 0.67 0.53 -0.09 -2.27 0.00 0.00 179.45 178.30 1c20 h ARG 25 N 1.04 1.27 -0.59 1.90 2.43 -1.87 -1.56 114.38 116.99 1c20 h ARG 25 Ca 0.28 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1c20 h ARG 25 Cb -0.12 -0.26 -0.03 0.00 -0.42 0.00 0.00 29.97 29.15 1c20 h ARG 25 CO -0.06 0.91 0.39 -0.22 -1.51 0.00 0.00 179.97 179.47 1c20 h LYS 26 N 1.28 0.78 -0.72 0.20 3.64 -1.34 -0.47 116.57 119.94 1c20 h LYS 26 Ca 0.33 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.61 1c20 h LYS 26 Cb -0.02 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 31.60 1c20 h LYS 26 CO -0.06 0.52 0.27 0.93 -2.27 0.00 0.00 179.45 178.84 1c20 h GLU 27 N 0.80 1.09 0.13 1.90 4.39 -0.96 -1.41 114.58 120.53 1c20 h GLU 27 Ca 0.22 -0.21 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 1c20 h GLU 27 Cb -0.09 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.40 1c20 h GLU 27 CO -0.05 0.91 -0.06 0.35 -1.16 0.00 0.00 179.01 179.01 1c20 h PHE 28 N 1.05 -0.16 -0.32 4.33 3.04 -0.70 -1.08 116.94 123.09 1c20 h PHE 28 Ca 0.24 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.19 1c20 h PHE 28 Cb 0.24 0.05 -0.02 0.00 2.56 0.00 0.00 35.95 38.79 1c20 h PHE 28 CO 0.02 0.11 0.21 -0.07 -2.02 0.00 0.00 178.31 176.55 1c20 h LEU 29 N -0.42 0.36 -0.96 0.59 3.38 -1.04 0.24 115.31 117.47 1c20 h LEU 29 Ca -0.02 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.95 1c20 h LEU 29 Cb 0.34 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.95 1c20 h LEU 29 CO 0.03 0.26 0.63 -0.78 0.09 0.00 0.00 178.44 178.67 1c20 h ASP 30 N 0.43 1.10 0.12 -0.43 1.82 -1.24 0.67 116.42 118.88 1c20 h ASP 30 Ca 0.12 -0.03 -0.01 0.00 -0.39 0.00 0.00 57.03 56.72 1c20 h ASP 30 Cb -0.05 -0.27 0.00 0.00 0.68 0.00 0.00 39.33 39.69 1c20 h ASP 30 CO -0.03 0.79 -0.06 0.44 -1.61 0.00 0.00 179.24 178.78 1c20 h ASP 31 N 1.29 -0.14 0.59 2.28 3.32 -0.58 -1.12 116.42 122.07 1c20 h ASP 31 Ca 0.35 -0.39 -0.03 0.00 0.02 0.00 0.00 57.03 56.98 1c20 h ASP 31 Cb -0.15 0.04 0.01 0.00 0.22 0.00 0.00 39.33 39.44 1c20 h ASP 31 CO -0.08 0.36 -0.28 0.25 -1.72 0.00 0.00 179.24 177.77 1c20 h LEU 32 N -0.70 -0.67 -1.01 1.55 5.85 -0.41 -0.91 115.31 119.01 1c20 h LEU 32 Ca -0.02 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.71 1c20 h LEU 32 Cb 0.52 0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.68 1c20 h LEU 32 CO 0.03 -0.44 0.67 -0.26 -0.34 0.00 0.00 178.44 178.10 1c20 h PHE 33 N -0.85 1.27 -0.48 1.25 -1.00 -0.98 -2.58 116.94 113.56 1c20 h PHE 33 Ca -0.08 0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.71 1c20 h PHE 33 Cb 0.63 -0.43 -0.02 0.00 3.61 0.00 0.00 35.95 39.74 1c20 h PHE 33 CO -0.02 0.80 0.24 0.66 -1.61 0.00 0.00 178.31 178.37 1c20 h SER 34 N 1.37 0.62 0.41 2.17 4.64 -1.03 0.26 113.55 122.00 1c20 h SER 34 Ca 0.37 -0.12 -0.01 0.00 -0.47 0.00 0.00 61.79 61.56 1c20 h SER 34 Cb -0.16 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 61.76 1c20 h SER 34 CO -0.08 0.57 -0.30 0.15 -0.87 0.00 0.00 176.83 176.30 1c20 h PHE 35 N 0.63 -0.79 0.00 4.77 3.57 -0.78 -1.50 116.94 122.83 1c20 h PHE 35 Ca 0.17 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.66 1c20 h PHE 35 Cb 0.11 0.29 0.00 0.00 2.79 0.00 0.00 35.95 39.14 1c20 h PHE 35 CO -0.01 -0.45 0.00 0.00 -2.23 0.00 0.00 178.31 175.62 1c20 n MET 36 N -5.43 0.15 0.01 1.11 0.00 -1.04 -3.17 117.12 108.76 1c20 n MET 36 Ca -0.10 0.38 0.01 0.00 0.00 0.00 0.00 57.70 57.98 1c20 n MET 36 Cb 0.33 -1.79 0.04 0.00 0.00 0.00 0.00 33.22 31.81 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 -2.07 0.01 -0.30 3.17 7.27 0.92 -2.99 117.38 123.39 1c20 n GLN 37 Ca 0.02 0.51 0.13 0.00 0.07 0.00 0.00 57.00 57.73 1c20 n GLN 37 Cb 0.22 -1.53 0.29 0.00 2.41 0.00 0.00 30.24 31.62 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 0.21 -0.59 3.69 3.64 -1.68 1.61 116.57 123.46 1c20 h LYS 38 Ca 0.00 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.27 1c20 h LYS 38 Cb 0.00 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 1c20 h LYS 38 CO 0.00 0.14 -0.02 0.00 -2.27 0.00 0.00 179.45 177.30 1c20 h ARG 39 N 0.22 1.05 0.00 1.90 3.08 -1.87 -3.47 114.38 115.29 1c20 h ARG 39 Ca 0.55 -0.34 0.00 0.00 0.07 0.00 0.00 59.98 60.26 1c20 h ARG 39 Cb 1.10 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.06 1c20 h ARG 39 CO -0.64 1.04 0.00 0.41 -1.07 0.00 0.00 179.97 179.70 1c20 n GLY 40 N -0.41 1.50 3.64 0.04 0.00 0.55 -5.11 105.19 105.41 1c20 n GLY 40 Ca 0.03 0.00 -0.28 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 -2.05 3.66 0.00 2.61 -4.23 -1.26 -5.00 115.64 109.37 1c20 s THR 41 Ca 0.00 -1.29 0.00 0.00 -1.18 0.00 0.00 61.69 59.22 1c20 s THR 41 Cb 0.00 -2.78 0.00 0.00 1.34 0.00 0.00 72.50 71.06 1c20 s THR 41 CO 0.00 0.00 0.00 -0.81 -0.54 0.00 0.00 174.62 173.27 1c20 n PRO 42 N 0.27 1.80 0.00 3.99 -0.04 -1.26 -4.64 135.00 135.12 1c20 n PRO 42 Ca -0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.35 1c20 n PRO 42 Cb 0.54 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.00 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 -0.32 0.00 -0.05 0.52 0.13 -1.26 -4.96 119.36 113.43 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 -0.13 -0.00 0.00 -0.84 0.00 0.00 39.64 38.67 1c20 n ILE 43 CO 0.00 0.00 0.00 -0.55 2.80 0.00 0.00 176.55 178.80 1c20 h ASN 44 N -0.00 0.00 -3.08 9.51 7.08 -1.93 -3.49 115.58 123.67 1c20 h ASN 44 Ca 0.00 0.00 0.06 0.00 -3.08 0.00 0.00 56.30 53.28 1c20 h ASN 44 Cb 0.00 0.00 -0.26 0.00 -2.08 0.00 0.00 38.32 35.98 1c20 h ASN 44 CO 0.00 0.48 0.38 0.00 -2.08 0.00 0.00 177.43 176.20 1c20 s ARG 45 N -1.55 0.52 -0.38 4.14 1.70 -1.26 -5.06 118.95 117.05 1c20 s ARG 45 Ca -0.01 0.70 0.02 0.00 -0.47 0.00 0.00 55.73 55.97 1c20 s ARG 45 Cb 0.00 0.21 0.11 0.00 -0.57 0.00 0.00 34.95 34.70 1c20 s ARG 45 CO 0.01 -0.08 0.12 -0.48 -1.08 0.00 0.00 175.30 173.80 1c20 s LEU 46 N 0.63 4.86 1.27 -1.89 2.34 -1.26 -5.11 118.68 119.51 1c20 s LEU 46 Ca -0.01 -2.23 -0.17 0.00 0.06 0.00 0.00 54.13 51.77 1c20 s LEU 46 Cb -0.05 -1.69 0.32 0.00 -0.56 0.00 0.00 46.19 44.21 1c20 s LEU 46 CO -0.09 -0.41 0.99 -2.84 -1.06 0.00 0.00 176.35 172.95 1c20 s PRO 47 N 0.81 -1.72 -0.16 1.48 0.02 -1.26 -4.80 135.00 129.38 1c20 s PRO 47 Ca 0.11 0.48 -0.04 0.00 0.02 0.00 0.00 61.00 61.57 1c20 s PRO 47 Cb -0.21 -1.49 -0.03 0.00 0.02 0.00 0.00 34.50 32.80 1c20 s PRO 47 CO -0.06 -4.16 -0.04 0.42 -0.33 0.00 0.00 177.00 172.83 1c20 s ILE 48 N -2.45 3.91 -0.23 2.83 -1.09 -1.26 -3.19 121.20 119.72 1c20 s ILE 48 Ca 0.69 -0.35 -0.09 0.00 -2.23 0.00 0.00 60.65 58.66 1c20 s ILE 48 Cb -0.19 -2.71 -0.04 0.00 -1.58 0.00 0.00 42.46 37.93 1c20 s ILE 48 CO 0.61 0.49 0.12 0.00 -1.23 0.00 0.00 174.94 174.94 1c20 s MET 49 N 0.36 3.96 0.00 2.79 0.23 0.19 -4.94 119.30 121.88 1c20 s MET 49 Ca -0.04 -0.33 0.00 0.00 -1.03 0.00 0.00 55.69 54.29 1c20 s MET 49 Cb -0.14 -3.44 0.00 0.00 -1.53 0.00 0.00 34.83 29.72 1c20 s MET 49 CO 0.03 0.04 0.00 0.00 -2.03 0.00 0.00 175.02 173.06 1c20 n ALA 50 N 4.32 0.00 0.03 3.16 0.00 -1.26 0.11 120.51 126.87 1c20 n ALA 50 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1c20 n ALA 50 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 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 1.30 -4.60 0.00 2.85 -1.26 -5.04 118.16 111.41 1c20 n LYS 51 Ca 0.00 -0.39 -0.30 0.00 -1.05 0.00 0.00 58.31 56.57 1c20 n LYS 51 Cb 0.00 -0.88 -0.08 0.00 -0.65 0.00 0.00 35.03 33.43 1c20 n LYS 51 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 1c20 s SER 52 N -0.35 4.12 0.20 -5.58 0.01 0.31 -5.16 113.70 107.27 1c20 s SER 52 Ca 0.01 -1.50 0.10 0.00 1.31 0.00 0.00 55.95 55.87 1c20 s SER 52 Cb 0.01 0.18 -0.04 0.00 0.21 0.00 0.00 66.02 66.37 1c20 s SER 52 CO 0.01 -0.74 -0.21 0.68 0.41 0.00 0.00 173.24 173.40 1c20 s VAL 53 N -2.80 2.16 -0.64 3.43 -7.23 -1.26 0.53 120.40 114.59 1c20 s VAL 53 Ca 0.19 -2.09 -0.26 0.00 -1.81 0.00 0.00 61.98 58.01 1c20 s VAL 53 Cb 0.04 -2.06 -0.09 0.00 0.56 0.00 0.00 36.38 34.83 1c20 s VAL 53 CO 0.10 -0.28 2.32 -0.22 -0.31 0.00 0.00 175.10 176.72 1c20 s LEU 54 N -2.90 3.19 -0.71 1.32 2.96 -1.19 -4.82 118.68 116.53 1c20 s LEU 54 Ca 0.21 0.53 -0.26 0.00 -0.22 0.00 0.00 54.13 54.39 1c20 s LEU 54 Cb -0.06 -2.52 -0.03 0.00 0.50 0.00 0.00 46.19 44.08 1c20 s LEU 54 CO 0.10 -3.18 1.87 -0.62 -1.32 0.00 0.00 176.35 173.20 1c20 s ASP 55 N 11.06 5.26 0.60 3.68 -1.08 -1.26 -4.79 116.67 130.14 1c20 s ASP 55 Ca 0.91 -0.01 0.29 0.00 -0.52 0.00 0.00 52.55 53.22 1c20 s ASP 55 Cb -0.14 -2.54 1.59 0.00 -1.46 0.00 0.00 42.92 40.36 1c20 s ASP 55 CO 0.17 -2.47 2.00 0.17 0.52 0.00 0.00 175.17 175.56 1c20 h LEU 56 N 16.76 0.00 -0.67 -1.34 8.10 -2.01 0.44 115.31 136.60 1c20 h LEU 56 Ca -0.15 0.00 0.01 0.00 0.11 0.00 0.00 57.88 57.85 1c20 h LEU 56 Cb 1.11 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 41.30 1c20 h LEU 56 CO 1.22 0.00 0.44 0.22 -4.11 0.00 0.00 178.44 176.21 1c20 h TYR 57 N 0.00 0.84 -0.82 0.17 5.03 -2.00 -1.50 116.97 118.69 1c20 h TYR 57 Ca 0.13 0.02 -0.00 0.00 2.58 0.00 0.00 58.73 61.46 1c20 h TYR 57 Cb 0.79 -0.28 -0.04 0.00 1.55 0.00 0.00 36.73 38.75 1c20 h TYR 57 CO 0.00 0.53 0.50 1.49 -1.32 0.00 0.00 178.16 179.36 1c20 h GLU 58 N 0.90 1.11 0.01 1.82 4.57 -1.30 0.75 114.58 122.45 1c20 h GLU 58 Ca 0.24 -0.10 -0.00 0.00 -1.18 0.00 0.00 59.36 58.33 1c20 h GLU 58 Cb -0.10 -0.24 0.00 0.00 -0.16 0.00 0.00 28.75 28.25 1c20 h GLU 58 CO -0.05 0.78 -0.00 1.25 -1.18 0.00 0.00 179.01 179.80 1c20 h LEU 59 N 1.13 -0.01 -0.00 1.64 5.85 -1.36 -1.01 115.31 121.55 1c20 h LEU 59 Ca 0.30 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 59.01 1c20 h LEU 59 Cb -0.05 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 40.98 1c20 h LEU 59 CO -0.06 -0.00 0.00 0.22 -0.34 0.00 0.00 178.44 178.26 1c20 h TYR 60 N -0.01 0.00 -0.36 1.25 3.20 -0.79 0.62 116.97 120.88 1c20 h TYR 60 Ca -0.00 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.91 1c20 h TYR 60 Cb 0.01 -0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.24 1c20 h TYR 60 CO -0.08 0.06 0.12 -2.95 -1.64 0.00 0.00 178.16 173.67 1c20 h ASN 61 N -0.06 0.12 -0.73 -2.11 7.08 -0.74 -0.70 115.58 118.44 1c20 h ASN 61 Ca 0.00 0.04 -0.01 0.00 -3.08 0.00 0.00 56.30 53.25 1c20 h ASN 61 Cb 0.06 0.03 -0.03 0.00 -2.08 0.00 0.00 38.32 36.30 1c20 h ASN 61 CO -0.00 0.11 0.40 -0.07 -2.08 0.00 0.00 177.43 175.79 1c20 h LEU 62 N 0.27 0.91 0.00 6.14 3.38 -0.99 -1.29 115.31 123.72 1c20 h LEU 62 Ca 0.16 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1c20 h LEU 62 Cb 0.14 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1c20 h LEU 62 CO -0.17 0.74 -0.00 0.58 0.09 0.00 0.00 178.44 179.68 1c20 h VAL 63 N 1.00 1.03 -0.52 1.22 2.07 -0.03 -2.73 116.25 118.29 1c20 h VAL 63 Ca 0.26 -0.08 -0.04 0.00 0.82 0.00 0.00 66.70 67.66 1c20 h VAL 63 Cb 0.04 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 1c20 h VAL 63 CO -0.04 0.02 0.16 0.40 0.02 0.00 0.00 177.57 178.13 1c20 h ILE 64 N -0.03 1.23 0.00 4.57 1.08 -1.01 -1.30 117.51 122.05 1c20 h ILE 64 Ca -0.00 -0.77 0.00 0.00 -0.39 0.00 0.00 64.86 63.70 1c20 h ILE 64 Cb 0.03 0.76 0.00 0.00 -3.07 0.00 0.00 36.82 34.54 1c20 h ILE 64 CO 0.00 0.29 0.02 0.00 -0.69 0.00 0.00 178.15 177.77 1c20 n ALA 65 N -2.37 0.96 -0.32 1.87 0.00 -0.50 -0.66 120.51 119.50 1c20 n ALA 65 Ca 0.02 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.58 1c20 n ALA 65 Cb 0.19 -0.95 0.32 0.00 0.00 0.00 0.00 19.45 19.01 1c20 n ALA 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1c20 n ARG 66 N -1.47 2.71 -0.12 0.00 5.12 -0.50 -4.92 116.66 117.48 1c20 n ARG 66 Ca 0.00 -2.65 0.00 0.00 -1.93 0.00 0.00 57.85 53.27 1c20 n ARG 66 Cb 0.02 -1.57 0.00 0.00 -1.16 0.00 0.00 32.46 29.75 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 1.67 0.60 0.00 -0.13 0.00 0.17 -4.55 105.19 102.95 1c20 n GLY 67 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1c20 n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1c20 n GLY 68 N -2.00 3.54 0.25 -0.02 0.00 -1.16 -4.60 105.19 101.20 1c20 n GLY 68 Ca 0.00 -1.74 -0.06 0.00 0.00 0.00 0.00 46.02 44.23 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 0.73 -0.89 0.99 5.85 -1.93 -0.18 115.31 119.88 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 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 40.80 1c20 h LEU 69 CO 0.00 0.53 0.59 0.58 -0.34 0.00 0.00 178.44 179.80 1c20 h VAL 70 N 0.86 1.23 -0.73 1.05 2.07 -1.96 0.68 116.25 119.45 1c20 h VAL 70 Ca 0.23 -0.42 -0.07 0.00 0.82 0.00 0.00 66.70 67.26 1c20 h VAL 70 Cb -0.10 -0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 29.56 1c20 h VAL 70 CO -0.05 0.22 0.19 0.44 0.02 0.00 0.00 177.57 178.39 1c20 h ASP 71 N 1.21 1.09 0.01 0.57 3.32 -1.64 -0.50 116.42 120.47 1c20 h ASP 71 Ca 0.33 -0.23 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 1c20 h ASP 71 Cb -0.14 -0.29 0.00 0.00 0.22 0.00 0.00 39.33 39.13 1c20 h ASP 71 CO -0.07 1.03 -0.00 0.58 -1.72 0.00 0.00 179.24 179.05 1c20 h VAL 72 N 1.09 1.02 0.07 -1.35 2.07 0.22 0.53 116.25 119.90 1c20 h VAL 72 Ca 0.23 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 67.67 1c20 h VAL 72 Cb 0.36 1.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 1c20 h VAL 72 CO -0.00 0.02 -0.03 0.40 0.02 0.00 0.00 177.57 177.98 1c20 h ILE 73 N -0.05 0.96 -0.72 4.57 2.04 -0.68 1.50 117.51 125.13 1c20 h ILE 73 Ca -0.00 -0.10 0.01 0.00 1.00 0.00 0.00 64.86 65.77 1c20 h ILE 73 Cb 0.04 1.02 -0.04 0.00 -0.74 0.00 0.00 36.82 37.11 1c20 h ILE 73 CO 0.00 0.02 0.47 -1.13 0.00 0.00 0.00 178.15 177.52 1c20 h ASN 74 N -0.14 0.83 1.28 1.72 -0.73 -0.95 -0.31 115.58 117.28 1c20 h ASN 74 Ca -0.01 -0.02 0.00 0.00 1.87 0.00 0.00 56.30 58.14 1c20 h ASN 74 Cb 0.11 -0.21 0.00 0.00 0.27 0.00 0.00 38.32 38.50 1c20 h ASN 74 CO 0.02 0.60 0.00 0.29 -0.37 0.00 0.00 177.43 177.97 1c20 n LYS 75 N -4.58 0.22 -3.43 6.67 4.76 0.18 -4.67 118.16 117.31 1c20 n LYS 75 Ca 0.07 0.22 -0.17 0.00 -2.87 0.00 0.00 58.31 55.56 1c20 n LYS 75 Cb 0.02 -1.77 0.09 0.00 -1.84 0.00 0.00 35.03 31.52 1c20 n LYS 75 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1c20 n LYS 76 N -2.16 -6.63 -0.85 1.97 4.81 0.50 -4.89 118.16 110.93 1c20 n LYS 76 Ca 0.05 0.85 -0.00 0.00 -0.87 0.00 0.00 58.31 58.34 1c20 n LYS 76 Cb 0.38 -5.87 0.31 0.00 0.02 0.00 0.00 35.03 29.87 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 -4.13 5.37 0.09 3.14 4.77 -0.55 -4.38 117.00 121.31 1c20 n LEU 77 Ca -0.29 -2.76 0.10 0.00 -0.03 0.00 0.00 56.01 53.03 1c20 n LEU 77 Cb 0.67 -0.69 0.57 0.00 -2.33 0.00 0.00 43.42 41.63 1c20 n LEU 77 CO 0.61 0.67 1.13 -0.50 -1.33 0.00 0.00 177.39 177.97 1c20 h TRP 78 N 2.85 0.21 -1.00 -1.77 4.06 -1.90 -0.96 115.95 117.44 1c20 h TRP 78 Ca 0.13 0.01 0.01 0.00 2.06 0.00 0.00 58.89 61.10 1c20 h TRP 78 Cb 1.98 -0.07 -0.05 0.00 -1.00 0.00 0.00 29.16 30.02 1c20 h TRP 78 CO 1.05 0.12 0.66 0.37 -3.56 0.00 0.00 178.44 177.09 1c20 h GLN 79 N 0.22 1.31 -0.36 0.49 5.75 -1.98 0.12 115.11 120.65 1c20 h GLN 79 Ca 0.13 -0.08 -0.01 0.00 -0.15 0.00 0.00 58.65 58.55 1c20 h GLN 79 Cb 0.25 -0.30 -0.02 0.00 1.07 0.00 0.00 27.48 28.49 1c20 h GLN 79 CO -0.02 0.87 0.20 0.93 -2.65 0.00 0.00 178.83 178.15 1c20 h GLU 80 N 1.35 0.50 -0.33 1.69 4.39 -1.51 0.40 114.58 121.07 1c20 h GLU 80 Ca 0.37 -0.06 -0.14 0.00 0.34 0.00 0.00 59.36 59.87 1c20 h GLU 80 Cb -0.15 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 28.40 1c20 h GLU 80 CO -0.08 0.41 -0.36 0.82 -1.16 0.00 0.00 179.01 178.64 1c20 h ILE 81 N 0.45 1.29 -0.54 3.13 2.04 -1.43 -2.44 117.51 120.02 1c20 h ILE 81 Ca 0.13 -1.53 -0.05 0.00 1.00 0.00 0.00 64.86 64.40 1c20 h ILE 81 Cb 0.05 1.51 -0.02 0.00 -0.74 0.00 0.00 36.82 37.62 1c20 h ILE 81 CO -0.02 0.50 0.13 0.40 0.00 0.00 0.00 178.15 179.16 1c20 h ILE 82 N 0.60 1.24 -0.98 -0.67 2.04 -0.56 -1.17 117.51 118.01 1c20 h ILE 82 Ca 0.05 -0.86 0.01 0.00 1.00 0.00 0.00 64.86 65.06 1c20 h ILE 82 Cb 0.94 0.78 -0.05 0.00 -0.74 0.00 0.00 36.82 37.75 1c20 h ILE 82 CO 0.09 0.32 0.65 0.50 0.00 0.00 0.00 178.15 179.70 1c20 h LYS 83 N 0.75 1.29 -0.68 2.37 3.64 -0.15 -1.20 116.57 122.59 1c20 h LYS 83 Ca 0.17 -0.08 -0.06 0.00 -1.27 0.00 0.00 60.65 59.41 1c20 h LYS 83 Cb 0.33 -0.29 -0.03 0.00 -0.41 0.00 0.00 32.23 31.83 1c20 h LYS 83 CO 0.00 0.86 0.20 0.78 -2.27 0.00 0.00 179.45 179.01 1c20 h GLY 84 N 1.33 1.15 -5.73 5.01 0.00 -1.03 -2.96 103.07 100.84 1c20 h GLY 84 Ca 0.36 -0.70 -0.77 0.00 0.00 0.00 0.00 47.33 46.22 1c20 h GLY 84 CO -0.08 0.65 0.83 1.04 0.00 0.00 0.00 176.54 178.98 1c20 n LEU 85 N -4.30 7.06 -4.24 3.11 4.77 -0.48 -5.04 117.00 117.88 1c20 n LEU 85 Ca 0.05 -5.25 -0.39 0.00 -0.03 0.00 0.00 56.01 50.39 1c20 n LEU 85 Cb 0.23 -1.06 0.01 0.00 -2.33 0.00 0.00 43.42 40.27 1c20 n LEU 85 CO 0.41 2.00 -0.65 1.41 -1.33 0.00 0.00 177.39 179.24 1c20 n HIS 86 N -0.23 -2.90 -2.20 -1.77 8.25 -0.58 -4.80 115.22 110.98 1c20 n HIS 86 Ca 0.47 0.45 -0.42 0.00 -0.26 0.00 0.00 57.72 57.97 1c20 n HIS 86 Cb 0.28 -1.69 -0.03 0.00 1.12 0.00 0.00 29.99 29.67 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 5.03 4.35 0.00 2.41 1.02 -1.26 -4.97 118.68 125.25 1c20 s LEU 87 Ca 0.57 2.21 0.00 0.00 0.02 0.00 0.00 54.13 56.93 1c20 s LEU 87 Cb -0.50 -3.57 0.00 0.00 0.02 0.00 0.00 46.19 42.14 1c20 s LEU 87 CO 0.66 -0.68 0.58 -0.81 0.02 0.00 0.00 176.35 176.12 1c20 n PRO 88 N 4.68 0.00 -0.23 1.29 -0.04 -1.26 -4.87 135.00 134.57 1c20 n PRO 88 Ca 0.12 0.11 -0.00 0.00 -0.04 0.00 0.00 63.50 63.69 1c20 n PRO 88 Cb 0.43 -1.08 -0.00 0.00 -0.04 0.00 0.00 33.50 32.80 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 -0.78 -0.05 0.00 3.54 7.64 -1.26 -4.97 113.62 117.74 1c20 n SER 89 Ca 0.00 -0.32 0.00 0.00 1.01 0.00 0.00 58.87 59.56 1c20 n SER 89 Cb 0.00 0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 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 0.00 -4.15 6.43 7.64 -1.26 -5.06 113.62 117.22 1c20 n SER 90 Ca -0.01 -0.78 -0.33 0.00 1.01 0.00 0.00 58.87 58.76 1c20 n SER 90 Cb 0.18 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.22 1c20 n SER 90 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1c20 s ILE 91 N 0.00 2.26 -0.21 0.44 1.01 -1.26 -4.97 121.20 118.46 1c20 s ILE 91 Ca 0.00 -0.87 0.11 0.00 0.00 0.00 0.00 60.65 59.89 1c20 s ILE 91 Cb 0.00 -1.96 0.42 0.00 0.01 0.00 0.00 42.46 40.93 1c20 s ILE 91 CO 0.00 0.52 1.24 0.35 0.00 0.00 0.00 174.94 177.05 1c20 n THR 92 N 4.64 2.22 -2.70 2.92 -2.24 -1.26 -4.66 114.28 113.21 1c20 n THR 92 Ca -0.21 -3.15 -0.05 0.00 -2.27 0.00 0.00 64.05 58.38 1c20 n THR 92 Cb 0.50 -0.25 0.11 0.00 -2.10 0.00 0.00 70.33 68.59 1c20 n THR 92 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1c20 n SER 93 N -1.14 -1.19 -0.35 3.42 2.88 -1.26 -4.97 113.62 111.02 1c20 n SER 93 Ca 0.20 -2.36 -0.03 0.00 -1.33 0.00 0.00 58.87 55.35 1c20 n SER 93 Cb 0.72 0.65 0.10 0.00 -0.75 0.00 0.00 64.21 64.92 1c20 n SER 93 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1c20 h ALA 94 N 1.77 1.20 0.40 -1.46 0.00 -1.98 -0.45 119.26 118.73 1c20 h ALA 94 Ca -0.32 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1c20 h ALA 94 Cb 1.29 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1c20 h ALA 94 CO -0.04 0.67 -0.33 0.00 0.00 0.00 0.00 179.25 179.55 1c20 h ALA 95 N 1.30 -0.74 -0.82 0.00 0.00 -1.94 0.40 119.26 117.46 1c20 h ALA 95 Ca 0.33 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1c20 h ALA 95 Cb -0.02 0.44 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1c20 h ALA 95 CO -0.06 -0.94 0.41 0.35 0.00 0.00 0.00 179.25 179.01 1c20 h PHE 96 N -0.72 1.17 -0.34 0.00 3.04 -1.94 -2.21 116.94 115.93 1c20 h PHE 96 Ca -0.03 -0.05 -0.05 0.00 3.98 0.00 0.00 57.97 61.81 1c20 h PHE 96 Cb 0.63 -0.37 -0.01 0.00 2.56 0.00 0.00 35.95 38.76 1c20 h PHE 96 CO -0.16 0.84 0.01 1.15 -2.02 0.00 0.00 178.31 178.13 1c20 h THR 97 N 1.16 1.25 0.08 4.41 2.02 -0.70 -2.36 112.91 118.77 1c20 h THR 97 Ca 0.28 -0.94 -0.00 0.00 0.77 0.00 0.00 66.41 66.52 1c20 h THR 97 Cb 0.10 1.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 1c20 h THR 97 CO -0.04 0.31 -0.04 -0.07 0.37 0.00 0.00 175.52 176.05 1c20 h LEU 98 N 0.41 -0.09 -0.98 2.58 3.38 -0.03 -1.22 115.31 119.36 1c20 h LEU 98 Ca 0.10 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1c20 h LEU 98 Cb 0.43 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.16 1c20 h LEU 98 CO 0.02 0.13 0.60 0.08 0.09 0.00 0.00 178.44 179.36 1c20 h ARG 99 N -0.32 1.30 -0.09 1.13 0.11 -1.44 -0.44 114.38 114.63 1c20 h ARG 99 Ca -0.01 -0.10 -0.09 0.00 0.10 0.00 0.00 59.98 59.87 1c20 h ARG 99 Cb 0.27 -0.28 0.00 0.00 1.11 0.00 0.00 29.97 31.07 1c20 h ARG 99 CO 0.02 0.89 -0.32 0.00 0.10 0.00 0.00 179.97 180.67 1c20 h THR 100 N 1.33 1.41 -0.64 0.08 1.03 -1.37 -1.58 112.91 113.16 1c20 h THR 100 Ca 0.35 -1.68 -0.03 0.00 -0.01 0.00 0.00 66.41 65.04 1c20 h THR 100 Cb -0.09 2.24 -0.03 0.00 -1.07 0.00 0.00 68.15 69.20 1c20 h THR 100 CO -0.07 0.49 0.27 1.56 -0.01 0.00 0.00 175.52 177.76 1c20 h GLN 101 N -0.09 0.94 0.00 0.00 4.20 -1.12 -0.01 115.11 119.03 1c20 h GLN 101 Ca -0.01 -0.16 -0.00 0.00 0.06 0.00 0.00 58.65 58.54 1c20 h GLN 101 Cb 0.95 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 28.57 1c20 h GLN 101 CO 0.07 0.78 -0.00 -0.92 -0.67 0.00 0.00 178.83 178.08 1c20 h TYR 102 N 0.89 -0.00 0.00 2.96 5.03 -1.09 -0.99 116.97 123.76 1c20 h TYR 102 Ca 0.21 -0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.51 1c20 h TYR 102 Cb 0.18 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 38.46 1c20 h TYR 102 CO 0.01 -0.00 -0.05 0.52 -1.32 0.00 0.00 178.16 177.32 1c20 h MET 103 N -0.00 0.00 -0.31 1.82 2.86 -0.95 1.07 114.93 119.43 1c20 h MET 103 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1c20 h MET 103 Cb 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.65 1c20 h MET 103 CO 0.00 0.05 0.20 -0.22 1.06 0.00 0.00 176.91 178.00 1c20 h LYS 104 N 0.00 0.40 0.00 1.72 1.63 0.42 -3.39 116.57 117.35 1c20 h LYS 104 Ca -0.00 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 1c20 h LYS 104 Cb 0.14 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 31.68 1c20 h LYS 104 CO 0.01 0.27 0.00 0.66 -3.45 0.00 0.00 179.45 176.93 1c20 n TYR 105 N -4.87 0.00 0.11 1.91 4.01 -1.03 -4.88 117.16 112.40 1c20 n TYR 105 Ca -0.01 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.77 1c20 n TYR 105 Cb 0.02 0.03 -0.06 0.00 -0.31 0.00 0.00 39.34 39.02 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 0.11 0.04 7.72 4.77 0.36 -4.24 117.00 125.77 1c20 n LEU 106 Ca 0.00 -0.13 -0.13 0.00 -0.03 0.00 0.00 56.01 55.72 1c20 n LEU 106 Cb 0.45 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.52 1c20 n LEU 106 CO 0.00 0.03 0.27 0.22 -1.33 0.00 0.00 177.39 176.57 1c20 h TYR 107 N 0.00 0.69 -0.05 -1.77 5.03 -1.54 -1.40 116.97 117.93 1c20 h TYR 107 Ca 0.00 -0.33 -0.15 0.00 2.58 0.00 0.00 58.73 60.83 1c20 h TYR 107 Cb 0.35 -0.10 0.01 0.00 1.55 0.00 0.00 36.73 38.55 1c20 h TYR 107 CO 0.00 1.13 -0.56 -1.00 -1.32 0.00 0.00 178.16 176.41 1c20 h PRO 108 N 0.31 0.47 -0.00 1.82 0.14 -1.85 -2.69 132.00 130.21 1c20 h PRO 108 Ca -0.06 -0.44 -0.00 0.00 0.14 0.00 0.00 66.00 65.65 1c20 h PRO 108 Cb 1.43 0.11 -0.00 0.00 0.14 0.00 0.00 31.00 32.68 1c20 h PRO 108 CO 0.15 1.08 0.00 -0.92 0.14 0.00 0.00 178.00 178.45 1c20 h TYR 109 N 0.03 0.00 -0.11 1.56 3.20 -1.73 0.77 116.97 120.68 1c20 h TYR 109 Ca -0.05 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.85 1c20 h TYR 109 Cb 1.23 -0.00 -0.04 0.00 1.54 0.00 0.00 36.73 39.45 1c20 h TYR 109 CO 0.13 0.11 -0.15 1.49 -1.64 0.00 0.00 178.16 178.09 1c20 h GLU 110 N -0.10 -0.19 -0.15 1.82 4.81 -1.33 -1.91 114.58 117.53 1c20 h GLU 110 Ca 0.00 0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.14 1c20 h GLU 110 Cb 0.10 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 1c20 h GLU 110 CO -0.00 -0.13 -0.37 0.00 -0.73 0.00 0.00 179.01 177.78 1c20 h GLU 112 N 0.27 0.33 0.21 0.00 4.57 0.13 2.58 114.58 122.67 1c20 h GLU 112 Ca 0.03 -0.02 -0.33 0.00 -1.18 0.00 0.00 59.36 57.86 1c20 h GLU 112 Cb 0.78 -0.08 0.02 0.00 -0.16 0.00 0.00 28.75 29.32 1c20 h GLU 112 CO 0.06 0.22 -1.54 0.87 -1.18 0.00 0.00 179.01 177.45 1c20 h LYS 113 N 0.34 0.45 0.00 1.92 1.57 -1.39 -3.39 116.57 116.07 1c20 h LYS 113 Ca 0.09 -0.76 -0.14 0.00 -1.87 0.00 0.00 60.65 57.97 1c20 h LYS 113 Cb -0.04 0.28 -0.03 0.00 0.08 0.00 0.00 32.23 32.53 1c20 h LYS 113 CO -0.02 1.36 -1.82 1.63 -0.57 0.00 0.00 179.45 180.02 1c20 n LYS 114 N -3.64 1.15 -3.63 3.15 4.76 -0.44 -5.02 118.16 114.50 1c20 n LYS 114 Ca -0.18 -0.07 -0.22 0.00 -2.87 0.00 0.00 58.31 54.97 1c20 n LYS 114 Cb 1.08 -1.35 0.04 0.00 -1.84 0.00 0.00 35.03 32.96 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 -2.28 -2.60 -0.20 4.39 2.85 0.87 -4.86 115.26 113.42 1c20 n ASN 115 Ca -0.13 -0.83 -0.06 0.00 -0.11 0.00 0.00 54.58 53.44 1c20 n ASN 115 Cb 0.69 -4.12 0.03 0.00 1.24 0.00 0.00 39.78 37.62 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 -1.77 0.67 0.00 1.20 3.38 -1.81 -3.47 115.31 113.51 1c20 h LEU 116 Ca -0.62 -0.02 -0.14 0.00 0.09 0.00 0.00 57.88 57.19 1c20 h LEU 116 Cb 1.35 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.91 1c20 h LEU 116 CO 0.53 0.48 0.07 -1.20 0.09 0.00 0.00 178.44 178.41 1c20 n SER 117 N -4.68 -1.69 -4.52 -0.43 7.64 -1.26 -5.09 113.62 103.59 1c20 n SER 117 Ca 0.04 -2.59 -0.28 0.00 1.01 0.00 0.00 58.87 57.05 1c20 n SER 117 Cb 0.02 2.93 -0.10 0.00 -1.01 0.00 0.00 64.21 66.05 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 -2.47 2.96 0.66 0.44 -4.23 -1.26 -4.99 115.64 106.75 1c20 s THR 118 Ca 0.20 -1.59 0.26 0.00 -1.18 0.00 0.00 61.69 59.38 1c20 s THR 118 Cb -0.03 -2.41 0.27 0.00 1.34 0.00 0.00 72.50 71.67 1c20 s THR 118 CO 0.15 0.00 1.79 -0.65 -0.54 0.00 0.00 174.62 175.37 1c20 h PRO 119 N 3.37 0.00 0.34 3.99 0.10 -2.02 -0.79 132.00 136.99 1c20 h PRO 119 Ca -0.48 0.00 -0.02 0.00 0.10 0.00 0.00 66.00 65.60 1c20 h PRO 119 Cb 1.19 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.29 1c20 h PRO 119 CO 0.50 0.00 -0.16 0.00 0.10 0.00 0.00 178.00 178.43 1c20 h ALA 120 N 1.16 -0.46 0.00 -0.75 0.00 -2.01 -2.99 119.26 114.21 1c20 h ALA 120 Ca 0.03 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1c20 h ALA 120 Cb 0.92 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1c20 h ALA 120 CO -0.00 -0.52 0.00 1.05 0.00 0.00 0.00 179.25 179.78 1c20 h GLU 121 N -0.92 0.00 -0.24 0.00 4.11 -1.65 -2.64 114.58 113.24 1c20 h GLU 121 Ca -0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.39 1c20 h GLU 121 Cb 0.53 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1c20 h GLU 121 CO 0.08 0.00 0.16 1.25 0.07 0.00 0.00 179.01 180.56 1c20 h LEU 122 N 0.00 0.27 -0.94 3.06 5.85 -1.09 0.28 115.31 122.74 1c20 h LEU 122 Ca 0.00 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.72 1c20 h LEU 122 Cb 0.48 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.39 1c20 h LEU 122 CO 0.00 0.20 0.62 -0.61 -0.34 0.00 0.00 178.44 178.31 1c20 h GLN 123 N 0.32 1.23 -0.32 1.25 4.15 -1.33 0.74 115.11 121.16 1c20 h GLN 123 Ca 0.09 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.43 1c20 h GLN 123 Cb -0.03 -0.28 -0.02 0.00 0.21 0.00 0.00 27.48 27.36 1c20 h GLN 123 CO -0.02 0.82 0.21 0.00 -1.93 0.00 0.00 178.83 177.91 1c20 h ALA 124 N 1.34 1.77 -0.56 3.38 0.00 -1.25 0.12 119.26 124.06 1c20 h ALA 124 Ca 0.34 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.16 1c20 h ALA 124 Cb -0.14 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1c20 h ALA 124 CO -0.07 0.21 0.08 0.00 0.00 0.00 0.00 179.25 179.47 1c20 h ALA 125 N 1.80 0.74 -0.34 0.00 0.00 0.12 0.47 119.26 122.06 1c20 h ALA 125 Ca 0.12 -0.25 -0.15 0.00 0.00 0.00 0.00 54.91 54.63 1c20 h ALA 125 Cb -0.05 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 1c20 h ALA 125 CO -0.03 0.50 -0.36 0.82 0.00 0.00 0.00 179.25 180.18 1c20 h ILE 126 N 0.82 1.28 -0.51 0.00 2.04 -0.42 -2.44 117.51 118.28 1c20 h ILE 126 Ca 0.17 -1.54 -0.13 0.00 1.00 0.00 0.00 64.86 64.36 1c20 h ILE 126 Cb 0.43 1.49 -0.02 0.00 -0.74 0.00 0.00 36.82 37.98 1c20 h ILE 126 CO 0.01 0.51 -0.17 -0.78 0.00 0.00 0.00 178.15 177.72 1c20 h ASP 127 N 0.63 1.04 0.18 1.72 1.82 -0.61 -2.33 116.42 118.87 1c20 h ASP 127 Ca 0.05 -0.37 -0.01 0.00 -0.39 0.00 0.00 57.03 56.30 1c20 h ASP 127 Cb 0.95 -0.28 -0.00 0.00 0.68 0.00 0.00 39.33 40.68 1c20 h ASP 127 CO 0.09 1.18 -0.06 1.23 -1.61 0.00 0.00 179.24 180.06 1c20 h GLY 128 N 0.90 0.00 1.02 -0.78 0.00 0.04 -2.19 103.07 102.05 1c20 h GLY 128 Ca 0.12 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.46 1c20 h GLY 128 CO 0.06 0.00 0.66 -0.57 0.00 0.00 0.00 176.54 176.69 1c20 h ASN 129 N 0.00 1.15 0.00 0.19 -0.73 -0.91 -3.51 115.58 111.77 1c20 h ASN 129 Ca -0.00 -0.03 0.00 0.00 1.87 0.00 0.00 56.30 58.14 1c20 h ASN 129 Cb 0.17 -0.29 0.00 0.00 0.27 0.00 0.00 38.32 38.47 1c20 h ASN 129 CO 0.01 0.83 0.00 -1.14 -0.37 0.00 0.00 177.43 176.76