#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 3.25 0.23 1.61 -0.11 -1.26 -5.06 118.94 117.60 1c20 s TRP 4 Ca 0.00 0.62 0.07 0.00 1.22 0.00 0.00 56.10 58.01 1c20 s TRP 4 Cb 0.00 -2.79 -0.04 0.00 -1.50 0.00 0.00 33.47 29.14 1c20 s TRP 4 CO 0.00 -0.33 0.14 -1.54 -4.62 0.00 0.00 176.95 170.59 1c20 s SER 5 N 1.56 5.31 0.09 5.86 1.04 -1.26 -5.02 113.70 121.28 1c20 s SER 5 Ca 0.22 -0.30 -0.23 0.00 0.48 0.00 0.00 55.95 56.13 1c20 s SER 5 Cb -0.15 -1.30 -0.15 0.00 0.10 0.00 0.00 66.02 64.52 1c20 s SER 5 CO 0.10 0.00 1.74 0.15 0.98 0.00 0.00 173.24 176.21 1c20 h PHE 6 N 1.85 -0.00 0.00 5.02 3.04 -2.02 -1.79 116.94 123.03 1c20 h PHE 6 Ca -0.48 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.47 1c20 h PHE 6 Cb 1.23 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.74 1c20 h PHE 6 CO 0.59 0.00 0.00 1.05 -2.02 0.00 0.00 178.31 177.93 1c20 h GLU 7 N -0.01 0.00 -0.77 1.11 4.11 -1.99 -2.01 114.58 115.02 1c20 h GLU 7 Ca -0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.40 1c20 h GLU 7 Cb 0.01 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1c20 h GLU 7 CO 0.00 0.00 0.36 1.49 0.07 0.00 0.00 179.01 180.93 1c20 h GLU 8 N 0.00 1.12 -0.49 1.06 4.81 -1.72 0.23 114.58 119.59 1c20 h GLU 8 Ca 0.00 -0.17 -0.13 0.00 -0.13 0.00 0.00 59.36 58.92 1c20 h GLU 8 Cb 0.13 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 1c20 h GLU 8 CO 0.00 0.88 -0.22 1.96 -0.73 0.00 0.00 179.01 180.90 1c20 h GLN 9 N 1.09 1.01 0.15 1.92 4.20 -1.40 -1.90 115.11 120.18 1c20 h GLN 9 Ca 0.26 -0.43 -0.01 0.00 0.06 0.00 0.00 58.65 58.53 1c20 h GLN 9 Cb 0.14 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.89 1c20 h GLN 9 CO -0.03 1.11 -0.07 0.35 -0.67 0.00 0.00 178.83 179.52 1c20 h PHE 10 N 0.87 -0.19 -0.13 2.96 3.57 -1.33 -2.87 116.94 119.81 1c20 h PHE 10 Ca 0.11 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.59 1c20 h PHE 10 Cb 0.80 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.59 1c20 h PHE 10 CO 0.05 0.10 -0.00 1.57 -2.23 0.00 0.00 178.31 177.80 1c20 h LYS 11 N -0.47 0.18 -0.07 1.11 2.10 -0.58 -0.60 116.57 118.24 1c20 h LYS 11 Ca -0.02 -0.02 0.02 0.00 -2.00 0.00 0.00 60.65 58.62 1c20 h LYS 11 Cb 0.37 -0.04 -0.00 0.00 -0.90 0.00 0.00 32.23 31.66 1c20 h LYS 11 CO 0.03 0.21 0.05 1.96 -2.00 0.00 0.00 179.45 179.70 1c20 h GLN 12 N 0.18 0.02 -0.40 0.07 4.20 -1.12 -0.15 115.11 117.91 1c20 h GLN 12 Ca 0.04 -0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.60 1c20 h GLN 12 Cb 0.13 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 1c20 h GLN 12 CO 0.00 0.01 -0.37 0.28 -0.67 0.00 0.00 178.83 178.09 1c20 h VAL 13 N 0.02 1.27 -0.38 -0.54 2.07 -0.96 -2.94 116.25 114.79 1c20 h VAL 13 Ca 0.03 -1.54 0.07 0.00 0.82 0.00 0.00 66.70 66.08 1c20 h VAL 13 Cb 0.10 1.36 -0.06 0.00 -1.52 0.00 0.00 31.29 31.17 1c20 h VAL 13 CO -0.00 0.52 0.01 -0.09 0.02 0.00 0.00 177.57 178.03 1c20 h ARG 14 N 0.77 0.11 0.00 1.57 2.43 -0.97 0.11 114.38 118.41 1c20 h ARG 14 Ca 0.07 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.22 1c20 h ARG 14 Cb 0.96 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.49 1c20 h ARG 14 CO 0.09 0.08 -0.06 -0.56 -1.51 0.00 0.00 179.97 178.01 1c20 h GLN 15 N 0.12 0.00 -0.41 0.20 3.07 -1.43 -2.51 115.11 114.16 1c20 h GLN 15 Ca 0.18 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.90 1c20 h GLN 15 Cb 0.25 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.79 1c20 h GLN 15 CO -0.30 0.06 0.15 -0.07 0.09 0.00 0.00 178.83 178.77 1c20 h LEU 16 N 0.00 0.58 -0.50 0.06 3.38 -0.60 -2.76 115.31 115.46 1c20 h LEU 16 Ca -0.00 -0.18 -0.15 0.00 0.09 0.00 0.00 57.88 57.64 1c20 h LEU 16 Cb 0.18 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1c20 h LEU 16 CO 0.01 0.60 -0.40 1.88 0.09 0.00 0.00 178.44 180.62 1c20 h TYR 17 N 0.51 0.93 0.00 1.13 -1.99 -1.34 -2.72 116.97 113.51 1c20 h TYR 17 Ca 0.13 -0.28 0.00 0.00 2.00 0.00 0.00 58.73 60.58 1c20 h TYR 17 Cb 0.22 -0.20 0.00 0.00 2.00 0.00 0.00 36.73 38.75 1c20 h TYR 17 CO 0.00 1.05 0.00 0.39 -0.00 0.00 0.00 178.16 179.61 1c20 n GLU 18 N -4.04 0.09 -0.22 4.88 -0.58 -0.98 -2.78 120.64 117.01 1c20 n GLU 18 Ca -0.02 0.56 0.01 0.00 -0.42 0.00 0.00 57.16 57.29 1c20 n GLU 18 Cb 0.54 -1.79 0.13 0.00 -0.57 0.00 0.00 31.44 29.75 1c20 n GLU 18 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1c20 h ILE 19 N 0.00 0.78 -1.91 -3.67 2.04 -1.21 -3.46 117.51 110.09 1c20 h ILE 19 Ca 0.00 -0.16 0.22 0.00 1.00 0.00 0.00 64.86 65.92 1c20 h ILE 19 Cb 0.04 0.26 -0.12 0.00 -0.74 0.00 0.00 36.82 36.26 1c20 h ILE 19 CO 0.00 0.09 0.65 0.54 0.00 0.00 0.00 178.15 179.42 1c20 s ASN 20 N -5.42 -0.17 -0.15 1.72 4.22 -1.12 -5.01 114.94 109.01 1c20 s ASN 20 Ca -0.13 -0.18 0.09 0.00 -2.14 0.00 0.00 52.86 50.51 1c20 s ASN 20 Cb 0.18 0.31 0.52 0.00 1.28 0.00 0.00 41.25 43.54 1c20 s ASN 20 CO 0.75 -0.55 1.30 -0.90 -2.04 0.00 0.00 177.10 175.66 1c20 n ASP 21 N -0.37 4.02 -4.68 3.54 5.75 -1.26 -4.81 116.55 118.73 1c20 n ASP 21 Ca -0.06 -2.59 -0.49 0.00 -0.01 0.00 0.00 54.79 51.64 1c20 n ASP 21 Cb 0.61 -0.62 -0.05 0.00 -1.03 0.00 0.00 41.12 40.03 1c20 n ASP 21 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1c20 n ASP 22 N 0.40 3.35 -0.23 -1.12 9.92 -1.26 -4.85 116.55 122.76 1c20 n ASP 22 Ca 0.18 0.98 -0.04 0.00 -0.53 0.00 0.00 54.79 55.38 1c20 n ASP 22 Cb 0.85 -1.35 0.06 0.00 -0.64 0.00 0.00 41.12 40.04 1c20 n ASP 22 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1c20 h PRO 23 N 8.94 0.81 -0.59 -0.24 0.13 -1.98 0.28 132.00 139.35 1c20 h PRO 23 Ca -0.48 -0.05 0.01 0.00 -0.87 0.00 0.00 66.00 64.61 1c20 h PRO 23 Cb 1.28 -0.18 -0.03 0.00 0.13 0.00 0.00 31.00 32.19 1c20 h PRO 23 CO 0.95 0.53 0.39 0.87 -0.23 0.00 0.00 178.00 180.51 1c20 h LYS 24 N 0.83 0.77 -0.14 0.86 1.57 -1.97 0.62 116.57 119.10 1c20 h LYS 24 Ca 0.26 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.93 1c20 h LYS 24 Cb -0.02 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.11 1c20 h LYS 24 CO -0.09 0.51 -0.14 -0.09 -0.57 0.00 0.00 179.45 179.08 1c20 h ARG 25 N 0.79 0.34 0.04 3.15 2.43 -1.87 0.59 114.38 119.85 1c20 h ARG 25 Ca 0.22 -0.18 -0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1c20 h ARG 25 Cb -0.09 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.47 1c20 h ARG 25 CO -0.05 0.73 -0.02 -0.22 -1.51 0.00 0.00 179.97 178.90 1c20 h LYS 26 N -0.03 -0.05 -0.50 0.20 3.64 -0.69 0.78 116.57 119.91 1c20 h LYS 26 Ca 0.02 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.36 1c20 h LYS 26 Cb 0.67 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.48 1c20 h LYS 26 CO 0.03 -0.03 0.12 1.49 -2.27 0.00 0.00 179.45 178.79 1c20 h GLU 27 N -0.05 0.81 0.00 1.90 4.81 0.25 -2.56 114.58 119.74 1c20 h GLU 27 Ca -0.00 -0.20 -0.00 0.00 -0.13 0.00 0.00 59.36 59.03 1c20 h GLU 27 Cb 0.04 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.32 1c20 h GLU 27 CO 0.01 0.78 -0.00 0.35 -0.73 0.00 0.00 179.01 179.42 1c20 h PHE 28 N 0.69 -0.00 -0.86 0.92 3.04 0.51 -1.29 116.94 119.96 1c20 h PHE 28 Ca 0.16 -0.00 0.04 0.00 3.98 0.00 0.00 57.97 62.14 1c20 h PHE 28 Cb 0.34 0.00 -0.05 0.00 2.56 0.00 0.00 35.95 38.80 1c20 h PHE 28 CO 0.02 -0.00 0.55 -0.07 -2.02 0.00 0.00 178.31 176.79 1c20 h LEU 29 N -0.00 0.90 -0.88 0.59 3.38 -0.79 0.19 115.31 118.71 1c20 h LEU 29 Ca -0.00 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1c20 h LEU 29 Cb 0.00 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.51 1c20 h LEU 29 CO 0.00 0.61 0.58 -0.78 0.09 0.00 0.00 178.44 178.95 1c20 h ASP 30 N 1.05 1.01 -0.01 -0.43 1.82 -1.08 -0.46 116.42 118.32 1c20 h ASP 30 Ca 0.35 -0.03 -0.01 0.00 -0.39 0.00 0.00 57.03 56.95 1c20 h ASP 30 Cb 0.04 -0.25 0.00 0.00 0.68 0.00 0.00 39.33 39.79 1c20 h ASP 30 CO -0.13 0.73 -0.04 -0.78 -1.61 0.00 0.00 179.24 177.42 1c20 h ASP 31 N 1.19 0.06 -0.00 2.28 1.82 -0.01 -1.55 116.42 120.21 1c20 h ASP 31 Ca 0.32 -0.61 0.00 0.00 -0.39 0.00 0.00 57.03 56.35 1c20 h ASP 31 Cb -0.14 -0.02 -0.00 0.00 0.68 0.00 0.00 39.33 39.86 1c20 h ASP 31 CO -0.07 0.65 0.00 0.25 -1.61 0.00 0.00 179.24 178.46 1c20 h LEU 32 N -0.54 0.00 -1.70 2.28 5.85 -0.56 -1.17 115.31 119.46 1c20 h LEU 32 Ca -0.00 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1c20 h LEU 32 Cb 0.65 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 1c20 h LEU 32 CO 0.01 0.00 0.19 -0.26 -0.34 0.00 0.00 178.44 178.04 1c20 h PHE 33 N -0.00 0.37 0.08 1.25 0.04 -1.17 -2.62 116.94 114.90 1c20 h PHE 33 Ca 0.00 0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 1c20 h PHE 33 Cb 0.00 -0.13 0.00 0.00 2.20 0.00 0.00 35.95 38.03 1c20 h PHE 33 CO -0.08 0.24 -0.04 0.77 -0.60 0.00 0.00 178.31 178.60 1c20 h SER 34 N 0.40 -0.09 0.36 2.17 0.02 -0.18 -0.40 113.55 115.83 1c20 h SER 34 Ca 0.11 -0.13 -0.02 0.00 -0.84 0.00 0.00 61.79 60.91 1c20 h SER 34 Cb -0.04 0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.53 1c20 h SER 34 CO -0.02 0.08 -0.17 0.15 -1.14 0.00 0.00 176.83 175.72 1c20 h PHE 35 N -0.26 -0.45 0.00 3.45 3.57 -0.96 -1.46 116.94 120.83 1c20 h PHE 35 Ca -0.01 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1c20 h PHE 35 Cb 0.22 0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.11 1c20 h PHE 35 CO -0.02 -0.28 0.00 0.00 -2.23 0.00 0.00 178.31 175.78 1c20 n MET 36 N -5.30 0.07 0.00 1.11 0.00 -1.04 -2.88 117.12 109.07 1c20 n MET 36 Ca -0.11 0.38 0.00 0.00 0.00 0.00 0.00 57.70 57.98 1c20 n MET 36 Cb 0.21 -1.65 0.00 0.00 0.00 0.00 0.00 33.22 31.79 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 -1.77 0.00 -0.12 3.17 7.27 -0.16 -2.12 117.38 123.65 1c20 n GLN 37 Ca 0.02 0.27 -0.06 0.00 0.07 0.00 0.00 57.00 57.31 1c20 n GLN 37 Cb 0.14 -1.71 0.01 0.00 2.41 0.00 0.00 30.24 31.09 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 -0.13 -0.37 3.69 3.64 -1.71 0.13 116.57 121.82 1c20 h LYS 38 Ca 0.00 0.01 -0.16 0.00 -1.27 0.00 0.00 60.65 59.23 1c20 h LYS 38 Cb 0.42 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 1c20 h LYS 38 CO 0.00 -0.09 -0.39 0.00 -2.27 0.00 0.00 179.45 176.70 1c20 h ARG 39 N -0.14 0.90 0.00 1.90 3.08 -1.76 -3.47 114.38 114.90 1c20 h ARG 39 Ca 0.19 -0.47 0.00 0.00 0.07 0.00 0.00 59.98 59.77 1c20 h ARG 39 Cb 0.44 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.50 1c20 h ARG 39 CO -0.48 1.13 0.00 0.41 -1.07 0.00 0.00 179.97 179.95 1c20 n GLY 40 N 0.12 0.69 3.64 0.04 0.00 0.46 -5.09 105.19 105.05 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 -2.04 3.58 0.00 2.61 -4.23 -1.26 -4.98 115.64 109.32 1c20 s THR 41 Ca 0.00 -1.55 0.00 0.00 -1.18 0.00 0.00 61.69 58.96 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 -0.16 0.00 -0.81 -0.54 0.00 0.00 174.62 173.11 1c20 n PRO 42 N -0.23 2.00 0.00 3.99 -0.04 -1.26 -4.80 135.00 134.66 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 -0.43 0.00 -0.06 0.52 0.13 -1.26 -4.99 119.36 113.27 1c20 n ILE 43 Ca 0.00 0.00 -0.08 0.00 -1.10 0.00 0.00 62.75 61.57 1c20 n ILE 43 Cb 0.00 -0.27 -0.06 0.00 -0.84 0.00 0.00 39.64 38.47 1c20 n ILE 43 CO 0.00 0.00 0.00 -1.13 2.80 0.00 0.00 176.55 178.22 1c20 h ASN 44 N 0.00 0.00 -5.07 9.51 -1.24 -1.94 -3.49 115.58 113.35 1c20 h ASN 44 Ca 0.00 -0.41 -0.06 0.00 0.71 0.00 0.00 56.30 56.55 1c20 h ASN 44 Cb 0.00 0.00 -0.14 0.00 0.73 0.00 0.00 38.32 38.91 1c20 h ASN 44 CO 0.00 0.80 -0.10 -0.13 -1.29 0.00 0.00 177.43 176.72 1c20 s ARG 45 N -1.95 1.02 -0.51 6.67 0.52 -1.26 -5.09 118.95 118.35 1c20 s ARG 45 Ca -0.11 -0.65 0.05 0.00 -0.52 0.00 0.00 55.73 54.49 1c20 s ARG 45 Cb -0.00 0.45 0.18 0.00 0.52 0.00 0.00 34.95 36.10 1c20 s ARG 45 CO 0.33 -0.39 0.42 1.28 0.02 0.00 0.00 175.30 176.96 1c20 n LEU 46 N -0.06 0.86 -4.70 2.53 4.77 -1.26 -5.10 117.00 114.03 1c20 n LEU 46 Ca -0.16 -4.71 -0.33 0.00 -0.03 0.00 0.00 56.01 50.77 1c20 n LEU 46 Cb 0.63 0.09 0.12 0.00 -2.33 0.00 0.00 43.42 41.93 1c20 n LEU 46 CO 0.18 1.85 0.76 -2.84 -1.33 0.00 0.00 177.39 176.01 1c20 s PRO 47 N -0.64 1.67 -0.25 3.23 0.02 -1.26 -4.76 135.00 133.01 1c20 s PRO 47 Ca 0.31 1.70 -0.10 0.00 0.02 0.00 0.00 61.00 62.93 1c20 s PRO 47 Cb 0.03 -1.79 -0.05 0.00 0.02 0.00 0.00 34.50 32.72 1c20 s PRO 47 CO -0.18 -2.18 0.16 0.42 -0.33 0.00 0.00 177.00 174.90 1c20 s ILE 48 N -2.22 5.22 -0.69 2.83 -1.09 -1.26 -2.44 121.20 121.54 1c20 s ILE 48 Ca 0.72 0.13 -0.27 0.00 -2.23 0.00 0.00 60.65 59.00 1c20 s ILE 48 Cb -0.27 -3.45 0.03 0.00 -1.58 0.00 0.00 42.46 37.19 1c20 s ILE 48 CO 0.51 0.31 1.22 -0.04 -1.23 0.00 0.00 174.94 175.71 1c20 s MET 49 N 1.34 3.25 0.35 2.79 -1.94 0.44 -4.81 119.30 120.72 1c20 s MET 49 Ca 0.07 -0.20 0.00 0.00 -1.71 0.00 0.00 55.69 53.85 1c20 s MET 49 Cb -0.15 -4.15 0.00 0.00 2.01 0.00 0.00 34.83 32.55 1c20 s MET 49 CO 0.07 -2.00 0.00 0.00 -0.01 0.00 0.00 175.02 173.08 1c20 n ALA 50 N 8.95 0.00 0.24 3.03 0.00 -1.26 0.24 120.51 131.70 1c20 n ALA 50 Ca 0.03 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.52 1c20 n ALA 50 Cb 0.49 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.87 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 2.15 -3.25 0.00 5.02 -1.26 -5.01 118.16 115.81 1c20 n LYS 51 Ca 0.00 -0.04 -0.20 0.00 -2.02 0.00 0.00 58.31 56.05 1c20 n LYS 51 Cb 0.00 -1.09 0.00 0.00 -0.02 0.00 0.00 35.03 33.93 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 -2.49 5.85 -0.09 4.39 0.01 0.66 -5.11 113.70 116.92 1c20 s SER 52 Ca 0.00 -0.12 -0.00 0.00 1.31 0.00 0.00 55.95 57.14 1c20 s SER 52 Cb 0.07 -1.17 -0.03 0.00 0.21 0.00 0.00 66.02 65.10 1c20 s SER 52 CO 0.40 -0.58 -0.07 -0.69 0.41 0.00 0.00 173.24 172.71 1c20 s VAL 53 N -2.31 3.64 -0.66 3.43 1.01 -1.26 0.17 120.40 124.40 1c20 s VAL 53 Ca 0.48 -0.49 -0.26 0.00 0.00 0.00 0.00 61.98 61.71 1c20 s VAL 53 Cb -0.10 -2.51 -0.09 0.00 0.00 0.00 0.00 36.38 33.68 1c20 s VAL 53 CO 0.33 0.57 2.32 -0.22 0.00 0.00 0.00 175.10 178.10 1c20 s LEU 54 N -0.42 3.15 -0.01 3.92 2.96 -1.02 -4.80 118.68 122.45 1c20 s LEU 54 Ca 0.06 0.43 -0.30 0.00 -0.22 0.00 0.00 54.13 54.10 1c20 s LEU 54 Cb -0.12 -2.53 -0.05 0.00 0.50 0.00 0.00 46.19 43.99 1c20 s LEU 54 CO 0.02 -3.24 1.44 -0.62 -1.32 0.00 0.00 176.35 172.63 1c20 s ASP 55 N 10.91 6.82 0.29 3.68 -1.08 -1.26 -4.88 116.67 131.16 1c20 s ASP 55 Ca 0.90 2.12 -0.01 0.00 -0.52 0.00 0.00 52.55 55.04 1c20 s ASP 55 Cb -0.14 -2.56 0.46 0.00 -1.46 0.00 0.00 42.92 39.23 1c20 s ASP 55 CO 0.16 -0.76 1.93 -0.07 0.52 0.00 0.00 175.17 176.95 1c20 h LEU 56 N 8.67 0.96 -1.02 -1.34 3.38 -2.00 -0.95 115.31 123.03 1c20 h LEU 56 Ca -0.37 -0.01 0.14 0.00 0.09 0.00 0.00 57.88 57.73 1c20 h LEU 56 Cb 1.17 -0.22 -0.09 0.00 0.09 0.00 0.00 40.66 41.62 1c20 h LEU 56 CO 0.92 0.65 0.63 0.22 0.09 0.00 0.00 178.44 180.94 1c20 h TYR 57 N 1.11 1.12 -0.58 1.13 5.03 -2.00 -1.02 116.97 121.77 1c20 h TYR 57 Ca 0.37 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.71 1c20 h TYR 57 Cb 0.07 -0.35 -0.03 0.00 1.55 0.00 0.00 36.73 37.97 1c20 h TYR 57 CO -0.00 0.40 0.34 1.49 -1.32 0.00 0.00 178.16 179.06 1c20 h GLU 58 N 0.93 0.79 -0.27 1.82 4.81 -1.55 0.44 114.58 121.55 1c20 h GLU 58 Ca 0.52 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.67 1c20 h GLU 58 Cb 0.60 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 1c20 h GLU 58 CO -0.29 0.58 0.18 1.25 -0.73 0.00 0.00 179.01 180.00 1c20 h LEU 59 N 0.78 0.31 -0.00 1.64 5.85 -1.18 -1.65 115.31 121.05 1c20 h LEU 59 Ca 0.21 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.92 1c20 h LEU 59 Cb 0.00 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 40.96 1c20 h LEU 59 CO -0.04 0.22 0.00 0.22 -0.34 0.00 0.00 178.44 178.51 1c20 h TYR 60 N 0.36 0.01 -1.01 1.25 3.20 -0.89 -1.38 116.97 118.51 1c20 h TYR 60 Ca 0.10 0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.98 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 0.01 0.67 -2.95 -1.64 0.00 0.00 178.16 174.18 1c20 h ASN 61 N 0.00 1.15 -0.57 -2.11 7.08 -0.72 -2.00 115.58 118.41 1c20 h ASN 61 Ca 0.00 -0.03 -0.11 0.00 -3.08 0.00 0.00 56.30 53.09 1c20 h ASN 61 Cb 0.00 -0.29 -0.02 0.00 -2.08 0.00 0.00 38.32 35.94 1c20 h ASN 61 CO -0.00 0.83 -0.06 -0.07 -2.08 0.00 0.00 177.43 176.05 1c20 h LEU 62 N 1.36 1.05 0.13 6.14 3.38 -1.07 -2.46 115.31 123.83 1c20 h LEU 62 Ca 0.37 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1c20 h LEU 62 Cb -0.15 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.32 1c20 h LEU 62 CO -0.08 1.13 -0.06 0.58 0.09 0.00 0.00 178.44 180.10 1c20 h VAL 63 N 0.95 0.91 -1.01 1.22 2.07 -0.64 -2.82 116.25 116.93 1c20 h VAL 63 Ca 0.16 -0.13 0.01 0.00 0.82 0.00 0.00 66.70 67.56 1c20 h VAL 63 Cb 0.63 0.99 -0.05 0.00 -1.52 0.00 0.00 31.29 31.34 1c20 h VAL 63 CO 0.04 0.03 0.67 0.40 0.02 0.00 0.00 177.57 178.73 1c20 h ILE 64 N -0.23 1.26 0.00 4.57 1.08 -1.36 -0.68 117.51 122.14 1c20 h ILE 64 Ca -0.02 -0.47 0.00 0.00 -0.39 0.00 0.00 64.86 63.98 1c20 h ILE 64 Cb 0.18 -0.23 0.00 0.00 -3.07 0.00 0.00 36.82 33.70 1c20 h ILE 64 CO 0.03 0.25 0.28 0.00 -0.69 0.00 0.00 178.15 178.02 1c20 h ALA 65 N 1.37 1.27 -0.02 1.87 0.00 -1.18 0.63 119.26 123.20 1c20 h ALA 65 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1c20 h ALA 65 Cb -0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1c20 h ALA 65 CO -0.08 -0.27 -0.14 0.54 0.00 0.00 0.00 179.25 179.29 1c20 n ARG 66 N -2.85 1.67 0.00 0.00 5.12 -0.28 -4.93 116.66 115.40 1c20 n ARG 66 Ca -0.02 -1.24 0.00 0.00 -1.93 0.00 0.00 57.85 54.66 1c20 n ARG 66 Cb 0.33 -1.47 0.00 0.00 -1.16 0.00 0.00 32.46 30.15 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 1.31 1.91 0.00 -0.13 0.00 0.22 -4.68 105.19 103.82 1c20 n GLY 67 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.76 4.28 0.21 -0.02 0.00 -1.14 -4.72 105.19 103.04 1c20 n GLY 68 Ca 0.00 -1.50 -0.05 0.00 0.00 0.00 0.00 46.02 44.47 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 0.50 -0.99 0.99 5.85 -1.95 -1.28 115.31 118.42 1c20 h LEU 69 Ca 0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1c20 h LEU 69 Cb 0.00 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 40.88 1c20 h LEU 69 CO 0.00 0.35 0.64 0.58 -0.34 0.00 0.00 178.44 179.67 1c20 h VAL 70 N 0.61 1.26 -0.56 1.05 2.07 -1.96 -1.23 116.25 117.49 1c20 h VAL 70 Ca 0.21 -0.50 -0.03 0.00 0.82 0.00 0.00 66.70 67.20 1c20 h VAL 70 Cb 0.03 -0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 29.59 1c20 h VAL 70 CO -0.10 0.26 0.23 0.44 0.02 0.00 0.00 177.57 178.42 1c20 h ASP 71 N 1.35 0.72 -0.47 0.57 3.32 -1.58 -0.57 116.42 119.76 1c20 h ASP 71 Ca 0.36 -0.08 -0.14 0.00 0.02 0.00 0.00 57.03 57.19 1c20 h ASP 71 Cb -0.13 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.23 1c20 h ASP 71 CO -0.07 0.64 -0.25 0.58 -1.72 0.00 0.00 179.24 178.42 1c20 h VAL 72 N 0.79 1.27 0.33 -1.35 2.07 -0.19 -2.21 116.25 116.96 1c20 h VAL 72 Ca 0.19 -1.42 -0.02 0.00 0.82 0.00 0.00 66.70 66.28 1c20 h VAL 72 Cb 0.14 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1c20 h VAL 72 CO -0.02 0.49 -0.16 0.40 0.02 0.00 0.00 177.57 178.30 1c20 h ILE 73 N 0.85 0.58 -1.00 4.57 2.04 -0.58 0.71 117.51 124.67 1c20 h ILE 73 Ca 0.10 -0.70 0.01 0.00 1.00 0.00 0.00 64.86 65.27 1c20 h ILE 73 Cb 0.83 0.88 -0.05 0.00 -0.74 0.00 0.00 36.82 37.74 1c20 h ILE 73 CO 0.07 0.11 0.66 -0.55 0.00 0.00 0.00 178.15 178.45 1c20 h ASN 74 N -0.88 1.16 0.12 1.72 -1.07 -1.21 -1.01 115.58 114.41 1c20 h ASN 74 Ca -0.04 -0.03 0.00 0.00 0.07 0.00 0.00 56.30 56.29 1c20 h ASN 74 Cb 0.52 -0.29 0.00 0.00 -2.07 0.00 0.00 38.32 36.48 1c20 h ASN 74 CO 0.07 0.84 -0.11 0.29 0.07 0.00 0.00 177.43 178.59 1c20 n LYS 75 N -4.38 1.23 -3.79 4.14 4.76 -0.83 -4.75 118.16 114.55 1c20 n LYS 75 Ca 0.12 -0.69 -0.24 0.00 -2.87 0.00 0.00 58.31 54.64 1c20 n LYS 75 Cb 0.02 -1.49 0.02 0.00 -1.84 0.00 0.00 35.03 31.74 1c20 n LYS 75 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1c20 n LYS 76 N -0.29 -4.63 -0.48 1.97 5.02 0.21 -4.83 118.16 115.14 1c20 n LYS 76 Ca 0.16 0.57 -0.07 0.00 -2.02 0.00 0.00 58.31 56.95 1c20 n LYS 76 Cb 0.34 -5.08 0.10 0.00 -0.02 0.00 0.00 35.03 30.36 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 -4.36 4.20 0.27 -0.35 4.77 0.66 -4.17 117.00 118.02 1c20 n LEU 77 Ca -0.25 -2.18 0.15 0.00 -0.03 0.00 0.00 56.01 53.70 1c20 n LEU 77 Cb 0.66 -0.63 0.67 0.00 -2.33 0.00 0.00 43.42 41.79 1c20 n LEU 77 CO 0.71 0.65 0.96 -0.50 -1.33 0.00 0.00 177.39 177.88 1c20 h TRP 78 N 0.72 0.00 -1.01 -1.77 4.06 -1.88 -2.98 115.95 113.09 1c20 h TRP 78 Ca 0.20 0.00 0.01 0.00 2.06 0.00 0.00 58.89 61.17 1c20 h TRP 78 Cb 1.63 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 29.74 1c20 h TRP 78 CO 0.62 0.07 0.67 1.96 -3.56 0.00 0.00 178.44 178.20 1c20 h GLN 79 N 0.00 1.33 -0.36 0.49 7.50 -1.97 0.51 115.11 122.61 1c20 h GLN 79 Ca -0.00 -0.08 -0.01 0.00 0.50 0.00 0.00 58.65 59.06 1c20 h GLN 79 Cb 0.51 -0.30 -0.02 0.00 0.05 0.00 0.00 27.48 27.73 1c20 h GLN 79 CO 0.01 0.88 0.20 0.93 -1.50 0.00 0.00 178.83 179.34 1c20 h GLU 80 N 1.37 0.50 -0.25 1.46 3.07 -1.88 0.36 114.58 119.22 1c20 h GLU 80 Ca 0.37 -0.06 -0.09 0.00 -0.50 0.00 0.00 59.36 59.08 1c20 h GLU 80 Cb -0.16 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 27.65 1c20 h GLU 80 CO -0.08 0.42 -0.18 0.82 -1.40 0.00 0.00 179.01 178.59 1c20 h ILE 81 N 0.46 1.31 -0.68 3.13 2.04 -1.53 -2.92 117.51 119.32 1c20 h ILE 81 Ca 0.13 -1.31 -0.01 0.00 1.00 0.00 0.00 64.86 64.67 1c20 h ILE 81 Cb 0.06 1.62 -0.03 0.00 -0.74 0.00 0.00 36.82 37.73 1c20 h ILE 81 CO -0.02 0.41 0.39 0.40 0.00 0.00 0.00 178.15 179.33 1c20 h ILE 82 N 0.27 1.19 -0.83 -0.67 2.04 0.22 -1.37 117.51 118.37 1c20 h ILE 82 Ca 0.05 -0.45 0.11 0.00 1.00 0.00 0.00 64.86 65.57 1c20 h ILE 82 Cb 0.72 0.26 -0.08 0.00 -0.74 0.00 0.00 36.82 36.98 1c20 h ILE 82 CO 0.05 0.21 0.46 0.50 0.00 0.00 0.00 178.15 179.37 1c20 h LYS 83 N 0.93 0.73 -0.88 2.37 3.64 -0.10 0.30 116.57 123.56 1c20 h LYS 83 Ca 0.24 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.56 1c20 h LYS 83 Cb -0.02 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 31.60 1c20 h LYS 83 CO -0.04 0.48 0.47 0.78 -2.27 0.00 0.00 179.45 178.86 1c20 h GLY 84 N 0.75 1.32 -5.66 5.01 0.00 -1.17 -2.93 103.07 100.39 1c20 h GLY 84 Ca 0.41 -0.62 -0.73 0.00 0.00 0.00 0.00 47.33 46.39 1c20 h GLY 84 CO -0.27 0.59 0.50 1.04 0.00 0.00 0.00 176.54 178.40 1c20 n LEU 85 N -4.33 6.50 -3.64 3.11 4.32 0.83 -5.06 117.00 118.73 1c20 n LEU 85 Ca 0.09 -5.35 -0.33 0.00 -0.02 0.00 0.00 56.01 50.40 1c20 n LEU 85 Cb 0.11 -0.95 0.02 0.00 -1.62 0.00 0.00 43.42 40.98 1c20 n LEU 85 CO 0.39 2.09 -0.72 1.41 -1.22 0.00 0.00 177.39 179.34 1c20 n HIS 86 N -0.22 -3.05 -2.25 -1.77 8.25 0.04 -4.81 115.22 111.41 1c20 n HIS 86 Ca 0.44 0.29 -0.42 0.00 -0.26 0.00 0.00 57.72 57.77 1c20 n HIS 86 Cb 0.32 -1.41 -0.03 0.00 1.12 0.00 0.00 29.99 29.99 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 4.40 0.00 2.41 1.02 -1.26 -4.97 118.68 125.32 1c20 s LEU 87 Ca 0.46 2.31 0.00 0.00 0.02 0.00 0.00 54.13 56.92 1c20 s LEU 87 Cb -0.36 -3.60 0.00 0.00 0.02 0.00 0.00 46.19 42.25 1c20 s LEU 87 CO 0.61 -0.53 0.98 -0.81 0.02 0.00 0.00 176.35 176.62 1c20 n PRO 88 N 3.14 0.00 -0.03 1.29 -0.04 -1.26 -4.86 135.00 133.23 1c20 n PRO 88 Ca 0.08 0.52 -0.00 0.00 -0.04 0.00 0.00 63.50 64.05 1c20 n PRO 88 Cb 0.43 -1.48 -0.00 0.00 -0.04 0.00 0.00 33.50 32.41 1c20 n PRO 88 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1c20 n SER 89 N -2.01 -0.00 0.00 3.54 2.88 -1.26 -5.01 113.62 111.76 1c20 n SER 89 Ca 0.00 -0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1c20 n SER 89 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1c20 n SER 89 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1c20 n SER 90 N 0.00 0.00 -4.47 -3.46 3.41 -1.26 -5.07 113.62 102.77 1c20 n SER 90 Ca -0.00 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.18 1c20 n SER 90 Cb 0.02 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.89 1c20 n SER 90 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1c20 s ILE 91 N 0.00 4.97 -0.36 -1.33 1.01 -1.26 -4.89 121.20 119.34 1c20 s ILE 91 Ca 0.00 -0.37 0.08 0.00 0.00 0.00 0.00 60.65 60.35 1c20 s ILE 91 Cb 0.00 -4.18 0.63 0.00 0.01 0.00 0.00 42.46 38.93 1c20 s ILE 91 CO 0.00 -0.62 1.73 0.35 0.00 0.00 0.00 174.94 176.41 1c20 n THR 92 N 5.57 2.90 -2.45 2.92 -2.24 -1.26 -4.34 114.28 115.37 1c20 n THR 92 Ca -0.06 -2.09 -0.00 0.00 -2.27 0.00 0.00 64.05 59.63 1c20 n THR 92 Cb 0.46 -0.39 0.05 0.00 -2.10 0.00 0.00 70.33 68.36 1c20 n THR 92 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1c20 n SER 93 N -0.87 1.69 -0.38 3.42 3.41 -1.26 -4.87 113.62 114.77 1c20 n SER 93 Ca 0.45 -2.43 -0.02 0.00 -0.26 0.00 0.00 58.87 56.62 1c20 n SER 93 Cb 1.38 -0.40 0.11 0.00 -0.26 0.00 0.00 64.21 65.05 1c20 n SER 93 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1c20 h ALA 94 N 1.68 1.28 -0.09 7.33 0.00 -1.99 0.62 119.26 128.10 1c20 h ALA 94 Ca -0.11 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.75 1c20 h ALA 94 Cb 1.53 -0.41 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1c20 h ALA 94 CO 0.18 0.67 -0.01 0.00 0.00 0.00 0.00 179.25 180.09 1c20 h ALA 95 N 1.37 0.06 -0.37 0.00 0.00 -1.94 0.99 119.26 119.38 1c20 h ALA 95 Ca 0.37 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1c20 h ALA 95 Cb -0.16 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1c20 h ALA 95 CO -0.08 -0.48 0.24 0.35 0.00 0.00 0.00 179.25 179.28 1c20 h PHE 96 N 0.01 0.46 -0.70 0.00 3.04 -1.79 -0.17 116.94 117.80 1c20 h PHE 96 Ca 0.04 0.01 -0.08 0.00 3.98 0.00 0.00 57.97 61.93 1c20 h PHE 96 Cb 0.06 -0.16 -0.03 0.00 2.56 0.00 0.00 35.95 38.38 1c20 h PHE 96 CO -0.13 0.29 0.14 1.15 -2.02 0.00 0.00 178.31 177.74 1c20 h THR 97 N 0.50 1.26 0.27 4.41 2.02 -0.33 -2.18 112.91 118.87 1c20 h THR 97 Ca 0.13 -1.02 -0.01 0.00 0.77 0.00 0.00 66.41 66.28 1c20 h THR 97 Cb -0.06 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 66.94 1c20 h THR 97 CO -0.03 0.39 -0.13 -0.07 0.37 0.00 0.00 175.52 176.05 1c20 h LEU 98 N 1.07 -0.31 -1.00 2.58 3.38 0.15 -3.00 115.31 118.18 1c20 h LEU 98 Ca 0.21 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1c20 h LEU 98 Cb 0.42 0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.20 1c20 h LEU 98 CO 0.01 0.05 0.63 0.08 0.09 0.00 0.00 178.44 179.30 1c20 h ARG 99 N -0.70 1.31 -0.87 1.13 0.11 -1.05 -2.18 114.38 112.13 1c20 h ARG 99 Ca -0.04 -0.09 -0.03 0.00 0.10 0.00 0.00 59.98 59.92 1c20 h ARG 99 Cb 0.48 -0.29 -0.04 0.00 1.11 0.00 0.00 29.97 31.23 1c20 h ARG 99 CO 0.06 0.88 0.44 0.00 0.10 0.00 0.00 179.97 181.46 1c20 h THR 100 N 1.34 1.26 -0.45 0.08 1.03 -1.42 -0.02 112.91 114.74 1c20 h THR 100 Ca 0.36 -0.70 -0.14 0.00 -0.01 0.00 0.00 66.41 65.91 1c20 h THR 100 Cb -0.12 0.12 -0.01 0.00 -1.07 0.00 0.00 68.15 67.07 1c20 h THR 100 CO -0.07 0.31 -0.29 1.56 -0.01 0.00 0.00 175.52 177.02 1c20 h GLN 101 N 1.23 0.98 -0.15 0.00 4.20 -1.34 -0.89 115.11 119.15 1c20 h GLN 101 Ca 0.30 -0.46 0.00 0.00 0.06 0.00 0.00 58.65 58.55 1c20 h GLN 101 Cb 0.08 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 1c20 h GLN 101 CO -0.04 1.13 0.10 -0.92 -0.67 0.00 0.00 178.83 178.43 1c20 h TYR 102 N 0.83 0.19 -0.17 2.96 5.03 -0.97 -1.78 116.97 123.07 1c20 h TYR 102 Ca 0.09 0.00 -0.03 0.00 2.58 0.00 0.00 58.73 61.38 1c20 h TYR 102 Cb 0.87 -0.07 -0.01 0.00 1.55 0.00 0.00 36.73 39.08 1c20 h TYR 102 CO 0.06 0.12 -0.01 0.52 -1.32 0.00 0.00 178.16 177.53 1c20 h MET 103 N 0.21 0.25 -1.00 1.82 2.86 -0.86 1.31 114.93 119.52 1c20 h MET 103 Ca 0.06 -0.04 0.01 0.00 -2.06 0.00 0.00 59.70 57.67 1c20 h MET 103 Cb -0.02 -0.04 -0.05 0.00 0.06 0.00 0.00 31.60 31.54 1c20 h MET 103 CO -0.01 0.29 0.66 -0.22 1.06 0.00 0.00 176.91 178.68 1c20 h LYS 104 N 0.24 1.32 0.00 1.72 3.64 -0.24 -3.38 116.57 119.87 1c20 h LYS 104 Ca 0.06 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1c20 h LYS 104 Cb 0.19 -0.30 0.00 0.00 -0.41 0.00 0.00 32.23 31.72 1c20 h LYS 104 CO 0.01 0.87 0.00 0.66 -2.27 0.00 0.00 179.45 178.72 1c20 n TYR 105 N -4.38 0.00 -0.03 1.91 4.01 -1.07 -4.92 117.16 112.68 1c20 n TYR 105 Ca 0.12 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.88 1c20 n TYR 105 Cb 0.01 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 38.91 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 0.00 -0.09 7.72 4.77 0.43 -3.96 117.00 125.88 1c20 n LEU 106 Ca 0.00 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.91 1c20 n LEU 106 Cb 0.02 0.14 0.11 0.00 -2.33 0.00 0.00 43.42 41.36 1c20 n LEU 106 CO 0.00 0.14 0.76 0.22 -1.33 0.00 0.00 177.39 177.18 1c20 h TYR 107 N 0.00 0.85 -0.12 -1.77 3.20 -1.24 0.19 116.97 118.08 1c20 h TYR 107 Ca -0.15 -0.17 -0.20 0.00 3.14 0.00 0.00 58.73 61.35 1c20 h TYR 107 Cb 1.21 -0.21 0.01 0.00 1.54 0.00 0.00 36.73 39.27 1c20 h TYR 107 CO 0.00 0.87 -0.69 -1.00 -1.64 0.00 0.00 178.16 175.70 1c20 h PRO 108 N 0.68 0.67 -0.16 1.82 0.14 -1.82 -2.42 132.00 130.92 1c20 h PRO 108 Ca 0.11 -0.57 -0.01 0.00 0.14 0.00 0.00 66.00 65.67 1c20 h PRO 108 Cb 0.65 0.12 -0.01 0.00 0.14 0.00 0.00 31.00 31.91 1c20 h PRO 108 CO 0.05 1.18 0.05 -0.92 0.14 0.00 0.00 178.00 178.50 1c20 h TYR 109 N 0.35 0.25 -0.48 1.56 3.20 -1.66 -1.44 116.97 118.75 1c20 h TYR 109 Ca -0.05 -0.03 0.06 0.00 3.14 0.00 0.00 58.73 61.85 1c20 h TYR 109 Cb 1.33 -0.07 -0.05 0.00 1.54 0.00 0.00 36.73 39.47 1c20 h TYR 109 CO 0.10 0.36 0.17 1.49 -1.64 0.00 0.00 178.16 178.65 1c20 h GLU 110 N 0.07 0.34 -0.95 1.82 4.81 -0.66 -1.36 114.58 118.65 1c20 h GLU 110 Ca 0.05 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 1c20 h GLU 110 Cb 0.23 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.49 1c20 h GLU 110 CO -0.00 0.22 0.57 0.00 -0.73 0.00 0.00 179.01 179.08 1c20 h GLU 112 N 1.31 0.82 -0.33 0.00 4.22 -0.23 2.59 114.58 122.96 1c20 h GLU 112 Ca 0.34 -0.23 -0.15 0.00 0.08 0.00 0.00 59.36 59.40 1c20 h GLU 112 Cb -0.06 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.10 1c20 h GLU 112 CO -0.06 0.83 -0.36 0.87 -2.18 0.00 0.00 179.01 178.11 1c20 h LYS 113 N 0.69 0.83 0.00 1.92 1.79 -1.00 -3.39 116.57 117.42 1c20 h LYS 113 Ca 0.15 -0.45 0.00 0.00 -2.18 0.00 0.00 60.65 58.17 1c20 h LYS 113 Cb 0.42 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.09 1c20 h LYS 113 CO 0.01 1.09 -0.03 1.63 -1.08 0.00 0.00 179.45 181.07 1c20 n LYS 114 N -4.14 3.63 -3.77 3.15 4.76 -0.65 -5.03 118.16 116.11 1c20 n LYS 114 Ca -0.03 0.00 -0.23 0.00 -2.87 0.00 0.00 58.31 55.18 1c20 n LYS 114 Cb 0.52 -0.29 0.02 0.00 -1.84 0.00 0.00 35.03 33.44 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 -0.54 -1.20 -0.36 4.39 5.15 0.87 -4.84 115.26 118.74 1c20 n ASN 115 Ca 0.00 -0.88 -0.03 0.00 -0.60 0.00 0.00 54.58 53.07 1c20 n ASN 115 Cb 0.00 -3.74 0.10 0.00 -0.53 0.00 0.00 39.78 35.61 1c20 n ASN 115 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1c20 h LEU 116 N -1.85 1.10 0.00 1.20 3.38 -1.78 -3.47 115.31 113.90 1c20 h LEU 116 Ca -0.62 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.25 1c20 h LEU 116 Cb 1.36 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.84 1c20 h LEU 116 CO 0.57 0.80 0.22 -1.54 0.09 0.00 0.00 178.44 178.58 1c20 n SER 117 N -4.41 -2.19 -4.39 -0.43 3.41 -1.26 -5.10 113.62 99.26 1c20 n SER 117 Ca 0.11 -2.65 -0.25 0.00 -0.26 0.00 0.00 58.87 55.82 1c20 n SER 117 Cb 0.02 3.69 -0.12 0.00 -0.26 0.00 0.00 64.21 67.54 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 -2.20 2.13 0.66 6.66 -4.23 -1.26 -4.90 115.64 112.50 1c20 s THR 118 Ca 0.18 -1.97 0.25 0.00 -1.18 0.00 0.00 61.69 58.97 1c20 s THR 118 Cb -0.04 -2.00 0.26 0.00 1.34 0.00 0.00 72.50 72.06 1c20 s THR 118 CO 0.13 -0.18 1.77 -0.65 -0.54 0.00 0.00 174.62 175.15 1c20 h PRO 119 N 3.26 0.00 0.49 3.99 0.10 -1.99 -1.56 132.00 136.28 1c20 h PRO 119 Ca -0.45 0.00 -0.02 0.00 0.10 0.00 0.00 66.00 65.63 1c20 h PRO 119 Cb 1.21 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.31 1c20 h PRO 119 CO 0.49 0.00 -0.23 0.00 0.10 0.00 0.00 178.00 178.35 1c20 h ALA 120 N 1.13 -0.66 0.00 -0.75 0.00 -2.01 -3.00 119.26 113.98 1c20 h ALA 120 Ca 0.03 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1c20 h ALA 120 Cb 0.95 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1c20 h ALA 120 CO -0.00 -0.64 -0.06 1.05 0.00 0.00 0.00 179.25 179.60 1c20 h GLU 121 N -1.11 0.00 -0.36 0.00 4.11 -1.76 -2.52 114.58 112.94 1c20 h GLU 121 Ca -0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.37 1c20 h GLU 121 Cb 0.56 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 1c20 h GLU 121 CO 0.11 0.06 0.23 1.25 0.07 0.00 0.00 179.01 180.74 1c20 h LEU 122 N 0.00 0.42 -1.00 3.06 5.85 -1.26 0.36 115.31 122.73 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 0.42 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.30 1c20 h LEU 122 CO 0.01 0.31 0.66 -0.61 -0.34 0.00 0.00 178.44 178.47 1c20 h GLN 123 N 0.48 1.32 -0.09 1.25 4.15 -1.31 0.25 115.11 121.16 1c20 h GLN 123 Ca 0.13 -0.08 -0.00 0.00 0.77 0.00 0.00 58.65 59.46 1c20 h GLN 123 Cb -0.04 -0.30 -0.00 0.00 0.21 0.00 0.00 27.48 27.35 1c20 h GLN 123 CO -0.03 0.88 0.04 0.00 -1.93 0.00 0.00 178.83 177.80 1c20 h ALA 124 N 1.36 1.91 -0.59 3.38 0.00 -1.19 0.18 119.26 124.31 1c20 h ALA 124 Ca 0.37 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 55.15 1c20 h ALA 124 Cb -0.15 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1c20 h ALA 124 CO -0.08 0.08 -0.05 0.00 0.00 0.00 0.00 179.25 179.20 1c20 h ALA 125 N 1.92 0.80 -0.07 0.00 0.00 0.15 1.55 119.26 123.61 1c20 h ALA 125 Ca 0.03 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.56 1c20 h ALA 125 Cb 0.02 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1c20 h ALA 125 CO -0.00 0.68 -0.15 0.82 0.00 0.00 0.00 179.25 180.60 1c20 h ILE 126 N 0.96 1.41 -0.36 0.00 2.04 -0.16 -2.08 117.51 119.32 1c20 h ILE 126 Ca 0.16 -1.44 -0.17 0.00 1.00 0.00 0.00 64.86 64.41 1c20 h ILE 126 Cb 0.62 2.18 -0.00 0.00 -0.74 0.00 0.00 36.82 38.87 1c20 h ILE 126 CO 0.04 0.41 -0.42 -0.78 0.00 0.00 0.00 178.15 177.39 1c20 h ASP 127 N -0.25 0.99 0.01 1.72 1.82 -0.67 -2.56 116.42 117.48 1c20 h ASP 127 Ca 0.00 -0.48 -0.00 0.00 -0.39 0.00 0.00 57.03 56.16 1c20 h ASP 127 Cb 0.73 -0.28 -0.00 0.00 0.68 0.00 0.00 39.33 40.46 1c20 h ASP 127 CO 0.03 1.28 -0.00 1.23 -1.61 0.00 0.00 179.24 180.17 1c20 h GLY 128 N 0.73 0.00 1.01 -0.78 0.00 0.22 -1.08 103.07 103.18 1c20 h GLY 128 Ca 0.05 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.39 1c20 h GLY 128 CO 0.10 0.00 0.67 -0.57 0.00 0.00 0.00 176.54 176.74 1c20 h ASN 129 N 0.00 1.16 0.00 0.19 -0.00 -0.93 -3.50 115.58 112.49 1c20 h ASN 129 Ca -0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 56.30 56.27 1c20 h ASN 129 Cb 0.01 -0.29 0.00 0.00 -0.00 0.00 0.00 38.32 38.04 1c20 h ASN 129 CO 0.00 0.84 0.00 -1.14 -0.00 0.00 0.00 177.43 177.13