#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 2.96 0.07 1.61 -0.11 -1.26 -5.04 118.94 117.17 1c20 s TRP 4 Ca 0.00 1.54 0.00 0.00 1.22 0.00 0.00 56.10 58.86 1c20 s TRP 4 Cb 0.00 -3.40 -0.04 0.00 -1.50 0.00 0.00 33.47 28.53 1c20 s TRP 4 CO 0.00 -1.45 -0.05 -1.54 -4.62 0.00 0.00 176.95 169.29 1c20 s SER 5 N -1.23 0.81 0.19 5.86 1.04 -1.26 -5.04 113.70 114.06 1c20 s SER 5 Ca 0.60 -1.01 -0.11 0.00 0.48 0.00 0.00 55.95 55.92 1c20 s SER 5 Cb -0.30 0.15 0.11 0.00 0.10 0.00 0.00 66.02 66.08 1c20 s SER 5 CO 0.37 -0.54 1.78 -0.26 0.98 0.00 0.00 173.24 175.58 1c20 h PHE 6 N 3.06 0.95 0.00 5.02 0.04 -2.02 -1.83 116.94 122.16 1c20 h PHE 6 Ca -0.35 -0.04 -0.02 0.00 2.80 0.00 0.00 57.97 60.36 1c20 h PHE 6 Cb 1.15 -0.30 -0.00 0.00 2.20 0.00 0.00 35.95 39.00 1c20 h PHE 6 CO 0.56 0.70 -0.11 1.05 -0.60 0.00 0.00 178.31 179.92 1c20 h GLU 7 N 0.92 0.00 -0.82 1.51 4.11 -1.99 -1.84 114.58 116.48 1c20 h GLU 7 Ca 0.23 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.63 1c20 h GLU 7 Cb 0.10 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.32 1c20 h GLU 7 CO -0.03 0.11 0.39 1.49 0.07 0.00 0.00 179.01 181.03 1c20 h GLU 8 N 0.00 1.17 -0.50 1.06 4.81 -1.74 0.21 114.58 119.59 1c20 h GLU 8 Ca -0.00 -0.17 -0.10 0.00 -0.13 0.00 0.00 59.36 58.96 1c20 h GLU 8 Cb 0.30 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 1c20 h GLU 8 CO 0.01 0.90 -0.09 1.96 -0.73 0.00 0.00 179.01 181.06 1c20 h GLN 9 N 1.16 0.92 -0.14 1.92 4.20 -1.33 -2.88 115.11 118.96 1c20 h GLN 9 Ca 0.28 -0.32 -0.03 0.00 0.06 0.00 0.00 58.65 58.64 1c20 h GLN 9 Cb 0.12 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 27.82 1c20 h GLN 9 CO -0.04 0.97 -0.04 0.35 -0.67 0.00 0.00 178.83 179.40 1c20 h PHE 10 N 0.83 0.31 -0.85 2.96 3.57 -0.99 -3.01 116.94 119.77 1c20 h PHE 10 Ca 0.14 -0.07 -0.03 0.00 3.53 0.00 0.00 57.97 61.54 1c20 h PHE 10 Cb 0.62 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 39.25 1c20 h PHE 10 CO 0.04 0.58 0.41 1.57 -2.23 0.00 0.00 178.31 178.68 1c20 h LYS 11 N -0.04 1.21 0.00 1.11 2.10 -0.62 -1.53 116.57 118.81 1c20 h LYS 11 Ca 0.03 -0.18 -0.02 0.00 -2.00 0.00 0.00 60.65 58.49 1c20 h LYS 11 Cb 0.48 -0.22 -0.00 0.00 -0.90 0.00 0.00 32.23 31.59 1c20 h LYS 11 CO 0.02 0.93 -0.08 -0.56 -2.00 0.00 0.00 179.45 177.75 1c20 h GLN 12 N 1.20 0.00 -0.37 0.07 3.07 -1.53 -1.75 115.11 115.80 1c20 h GLN 12 Ca 0.29 0.00 -0.16 0.00 0.09 0.00 0.00 58.65 58.87 1c20 h GLN 12 Cb 0.11 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.66 1c20 h GLN 12 CO -0.04 0.08 -0.39 0.28 0.09 0.00 0.00 178.83 178.85 1c20 h VAL 13 N 0.00 1.27 -0.54 1.86 2.07 -1.14 -3.09 116.25 116.68 1c20 h VAL 13 Ca -0.00 -1.56 0.04 0.00 0.82 0.00 0.00 66.70 66.00 1c20 h VAL 13 Cb 0.34 1.40 -0.04 0.00 -1.52 0.00 0.00 31.29 31.47 1c20 h VAL 13 CO 0.01 0.52 0.29 -0.09 0.02 0.00 0.00 177.57 178.32 1c20 h ARG 14 N 0.73 0.54 -0.01 1.57 2.43 -1.14 -0.31 114.38 118.20 1c20 h ARG 14 Ca 0.06 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1c20 h ARG 14 Cb 0.97 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 30.40 1c20 h ARG 14 CO 0.09 0.36 0.01 -0.56 -1.51 0.00 0.00 179.97 178.36 1c20 h GLN 15 N 0.56 0.00 -0.55 0.20 3.07 -1.50 -0.97 115.11 115.93 1c20 h GLN 15 Ca 0.24 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.96 1c20 h GLN 15 Cb 0.13 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.66 1c20 h GLN 15 CO -0.15 0.00 0.28 -0.07 0.09 0.00 0.00 178.83 178.98 1c20 h LEU 16 N 0.00 0.70 -0.92 0.06 4.07 -0.99 -1.88 115.31 116.35 1c20 h LEU 16 Ca 0.00 -0.11 -0.01 0.00 0.08 0.00 0.00 57.88 57.84 1c20 h LEU 16 Cb 0.02 -0.18 -0.04 0.00 1.08 0.00 0.00 40.66 41.53 1c20 h LEU 16 CO -0.00 0.62 0.52 1.88 -1.08 0.00 0.00 178.44 180.38 1c20 h TYR 17 N 0.74 1.25 0.00 1.13 0.05 -1.08 -1.70 116.97 117.36 1c20 h TYR 17 Ca 0.19 -0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.95 1c20 h TYR 17 Cb 0.09 -0.40 0.00 0.00 1.01 0.00 0.00 36.73 37.42 1c20 h TYR 17 CO -0.01 0.85 0.00 0.39 -1.05 0.00 0.00 178.16 178.34 1c20 n GLU 18 N -4.34 0.49 -0.37 4.88 -0.58 -0.74 -3.39 120.64 116.60 1c20 n GLU 18 Ca 0.10 0.00 0.06 0.00 -0.42 0.00 0.00 57.16 56.90 1c20 n GLU 18 Cb 0.08 -1.50 0.22 0.00 -0.57 0.00 0.00 31.44 29.67 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 0.97 -2.24 -3.67 2.04 -0.97 -3.45 117.51 110.19 1c20 h ILE 19 Ca 0.00 -0.36 0.18 0.00 1.00 0.00 0.00 64.86 65.68 1c20 h ILE 19 Cb 0.00 -0.18 -0.10 0.00 -0.74 0.00 0.00 36.82 35.81 1c20 h ILE 19 CO 0.00 0.19 0.52 0.20 0.00 0.00 0.00 178.15 179.06 1c20 s ASN 20 N -5.76 -0.19 -0.07 1.72 -0.87 -1.22 -5.00 114.94 103.55 1c20 s ASN 20 Ca -0.12 -0.32 0.09 0.00 -1.57 0.00 0.00 52.86 50.94 1c20 s ASN 20 Cb 0.22 0.44 0.38 0.00 -0.02 0.00 0.00 41.25 42.27 1c20 s ASN 20 CO 0.81 -0.80 1.19 -0.90 -2.57 0.00 0.00 177.10 174.83 1c20 n ASP 21 N -0.44 2.80 -4.48 -1.22 5.75 -1.26 -4.91 116.55 112.80 1c20 n ASP 21 Ca -0.07 -2.27 -0.52 0.00 -0.01 0.00 0.00 54.79 51.93 1c20 n ASP 21 Cb 0.61 -0.45 -0.07 0.00 -1.03 0.00 0.00 41.12 40.18 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 0.43 2.20 -0.01 -1.12 -0.08 -1.26 -4.80 116.55 111.91 1c20 n ASP 22 Ca 0.13 0.52 0.02 0.00 -1.51 0.00 0.00 54.79 53.96 1c20 n ASP 22 Cb 0.55 -1.24 0.37 0.00 2.34 0.00 0.00 41.12 43.14 1c20 n ASP 22 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1c20 h PRO 23 N 11.54 0.56 -0.19 -0.67 0.11 -2.00 -2.45 132.00 138.91 1c20 h PRO 23 Ca -0.30 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 65.75 1c20 h PRO 23 Cb 1.32 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1c20 h PRO 23 CO 1.01 0.44 0.10 -0.22 -0.21 0.00 0.00 178.00 179.12 1c20 h LYS 24 N 0.57 0.27 -0.43 1.05 3.64 -1.99 0.38 116.57 120.07 1c20 h LYS 24 Ca 0.14 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.47 1c20 h LYS 24 Cb 0.05 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 1c20 h LYS 24 CO -0.02 0.28 0.21 -0.09 -2.27 0.00 0.00 179.45 177.55 1c20 h ARG 25 N 0.20 0.61 -0.84 1.90 2.43 -1.87 0.79 114.38 117.60 1c20 h ARG 25 Ca 0.07 -0.09 0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1c20 h ARG 25 Cb 0.09 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.48 1c20 h ARG 25 CO -0.01 0.53 0.56 -0.22 -1.51 0.00 0.00 179.97 179.31 1c20 h LYS 26 N 0.55 1.10 -0.13 0.20 3.64 -1.25 -0.50 116.57 120.18 1c20 h LYS 26 Ca 0.15 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1c20 h LYS 26 Cb 0.12 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 31.68 1c20 h LYS 26 CO -0.02 0.73 0.06 1.49 -2.27 0.00 0.00 179.45 179.44 1c20 h GLU 27 N 1.13 0.18 0.03 1.90 4.81 -0.35 -0.95 114.58 121.33 1c20 h GLU 27 Ca 0.31 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.51 1c20 h GLU 27 Cb -0.13 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.22 1c20 h GLU 27 CO -0.07 0.24 -0.01 0.35 -0.73 0.00 0.00 179.01 178.79 1c20 h PHE 28 N 0.08 -0.03 -0.55 0.92 3.04 -0.32 0.47 116.94 120.56 1c20 h PHE 28 Ca 0.04 -0.00 0.01 0.00 3.98 0.00 0.00 57.97 62.00 1c20 h PHE 28 Cb 0.11 0.01 -0.03 0.00 2.56 0.00 0.00 35.95 38.61 1c20 h PHE 28 CO -0.03 -0.02 0.36 -0.07 -2.02 0.00 0.00 178.31 176.54 1c20 h LEU 29 N -0.04 0.63 -0.90 0.59 3.38 -1.04 0.36 115.31 118.28 1c20 h LEU 29 Ca -0.00 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.96 1c20 h LEU 29 Cb 0.03 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 1c20 h LEU 29 CO 0.01 0.46 0.60 -0.78 0.09 0.00 0.00 178.44 178.81 1c20 h ASP 30 N 0.74 1.04 -0.00 -0.43 1.82 -0.88 0.12 116.42 118.83 1c20 h ASP 30 Ca 0.20 -0.03 -0.00 0.00 -0.39 0.00 0.00 57.03 56.81 1c20 h ASP 30 Cb -0.08 -0.26 0.00 0.00 0.68 0.00 0.00 39.33 39.67 1c20 h ASP 30 CO -0.04 0.76 -0.00 0.44 -1.61 0.00 0.00 179.24 178.78 1c20 h ASP 31 N 1.23 0.00 -0.00 2.28 3.32 -0.07 -1.96 116.42 121.22 1c20 h ASP 31 Ca 0.33 -0.60 0.00 0.00 0.02 0.00 0.00 57.03 56.78 1c20 h ASP 31 Cb -0.14 -0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.41 1c20 h ASP 31 CO -0.07 0.60 0.00 0.25 -1.72 0.00 0.00 179.24 178.30 1c20 h LEU 32 N -0.60 0.00 -1.16 1.55 5.85 -0.17 -1.92 115.31 118.86 1c20 h LEU 32 Ca -0.00 -0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.76 1c20 h LEU 32 Cb 0.60 -0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.58 1c20 h LEU 32 CO 0.00 0.00 0.57 -0.26 -0.34 0.00 0.00 178.44 178.42 1c20 h PHE 33 N 0.00 1.04 -0.59 1.25 0.04 -0.84 -2.15 116.94 115.69 1c20 h PHE 33 Ca 0.00 0.03 0.01 0.00 2.80 0.00 0.00 57.97 60.80 1c20 h PHE 33 Cb 0.00 -0.35 -0.03 0.00 2.20 0.00 0.00 35.95 37.78 1c20 h PHE 33 CO -0.08 0.58 0.39 0.77 -0.60 0.00 0.00 178.31 179.37 1c20 h SER 34 N 1.06 0.67 0.72 2.17 0.02 -0.63 0.90 113.55 118.47 1c20 h SER 34 Ca 0.36 -0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 61.25 1c20 h SER 34 Cb 0.08 -0.17 0.01 0.00 0.14 0.00 0.00 62.40 62.46 1c20 h SER 34 CO -0.12 0.49 -0.35 0.15 -1.14 0.00 0.00 176.83 175.87 1c20 h PHE 35 N 0.80 -0.90 0.00 3.45 3.04 -0.72 -2.29 116.94 120.32 1c20 h PHE 35 Ca 0.21 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.14 1c20 h PHE 35 Cb -0.09 0.30 0.00 0.00 2.56 0.00 0.00 35.95 38.72 1c20 h PHE 35 CO -0.03 -0.56 0.00 0.00 -2.02 0.00 0.00 178.31 175.70 1c20 n MET 36 N -5.51 0.16 0.01 1.11 0.00 -1.05 -3.08 117.12 108.76 1c20 n MET 36 Ca -0.14 0.39 0.00 0.00 0.00 0.00 0.00 57.70 57.95 1c20 n MET 36 Cb 0.39 -1.81 0.02 0.00 0.00 0.00 0.00 33.22 31.82 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 -2.12 0.00 -0.21 3.17 7.27 0.31 -2.10 117.38 123.71 1c20 n GLN 37 Ca 0.02 0.34 -0.01 0.00 0.07 0.00 0.00 57.00 57.42 1c20 n GLN 37 Cb 0.23 -1.69 0.06 0.00 2.41 0.00 0.00 30.24 31.24 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 -0.00 -0.38 3.69 1.63 -1.70 0.41 116.57 120.22 1c20 h LYS 38 Ca 0.00 0.00 -0.16 0.00 -0.85 0.00 0.00 60.65 59.64 1c20 h LYS 38 Cb 0.35 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.98 1c20 h LYS 38 CO 0.00 -0.00 -0.41 0.00 -3.45 0.00 0.00 179.45 175.59 1c20 h ARG 39 N -0.00 0.94 0.00 1.90 3.08 -1.75 -3.47 114.38 115.07 1c20 h ARG 39 Ca 0.29 -0.51 0.00 0.00 0.07 0.00 0.00 59.98 59.84 1c20 h ARG 39 Cb 0.45 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.52 1c20 h ARG 39 CO -0.63 1.16 0.00 0.41 -1.07 0.00 0.00 179.97 179.84 1c20 n GLY 40 N 0.17 0.95 3.65 0.04 0.00 0.14 -5.10 105.19 105.03 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 -2.01 3.61 0.00 2.61 -4.23 -1.26 -4.99 115.64 109.37 1c20 s THR 41 Ca 0.00 -1.52 0.00 0.00 -1.18 0.00 0.00 61.69 58.99 1c20 s THR 41 Cb 0.00 -2.83 0.00 0.00 1.34 0.00 0.00 72.50 71.01 1c20 s THR 41 CO 0.00 -0.15 0.00 -0.81 -0.54 0.00 0.00 174.62 173.12 1c20 n PRO 42 N -0.21 1.94 0.00 3.99 -0.04 -1.26 -4.75 135.00 134.66 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 -0.38 0.00 0.00 0.52 0.13 -1.26 -5.02 119.36 113.36 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 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 38.80 1c20 n ILE 43 CO 0.00 0.00 0.00 -3.20 2.80 0.00 0.00 176.55 176.15 1c20 n ASN 44 N 0.00 0.00 -3.89 9.51 5.15 -1.26 -5.01 115.26 119.75 1c20 n ASN 44 Ca 0.00 0.18 -0.11 0.00 -0.60 0.00 0.00 54.58 54.04 1c20 n ASN 44 Cb 0.00 -0.26 -0.13 0.00 -0.53 0.00 0.00 39.78 38.85 1c20 n ASN 44 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1c20 s ARG 45 N -0.53 0.07 -0.52 1.20 0.52 -1.26 -5.03 118.95 113.40 1c20 s ARG 45 Ca 0.00 -0.13 0.04 0.00 -0.52 0.00 0.00 55.73 55.12 1c20 s ARG 45 Cb 0.00 0.02 0.16 0.00 0.52 0.00 0.00 34.95 35.65 1c20 s ARG 45 CO 0.00 -0.01 0.37 -0.51 0.02 0.00 0.00 175.30 175.17 1c20 s LEU 46 N -0.32 2.95 1.27 2.53 1.43 -1.26 -5.13 118.68 120.16 1c20 s LEU 46 Ca -0.03 -3.23 -0.19 0.00 -1.03 0.00 0.00 54.13 49.65 1c20 s LEU 46 Cb -0.02 -1.02 0.29 0.00 0.03 0.00 0.00 46.19 45.47 1c20 s LEU 46 CO -0.00 -0.16 0.68 -2.65 0.23 0.00 0.00 176.35 174.45 1c20 n PRO 47 N 2.72 -3.40 -4.04 1.29 -0.02 -1.26 -4.77 135.00 125.51 1c20 n PRO 47 Ca 0.21 -1.00 -0.35 0.00 -2.02 0.00 0.00 63.50 60.34 1c20 n PRO 47 Cb 0.40 -1.86 -0.13 0.00 -0.02 0.00 0.00 33.50 31.89 1c20 n PRO 47 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1c20 s ILE 48 N -2.19 3.85 0.61 4.25 -1.09 -1.26 -3.12 121.20 122.25 1c20 s ILE 48 Ca 0.60 -0.35 -0.11 0.00 -2.23 0.00 0.00 60.65 58.57 1c20 s ILE 48 Cb -0.14 -2.74 -0.04 0.00 -1.58 0.00 0.00 42.46 37.95 1c20 s ILE 48 CO 0.56 0.42 1.02 -0.04 -1.23 0.00 0.00 174.94 175.67 1c20 s MET 49 N 1.11 3.59 -0.94 2.79 -1.94 0.41 -4.84 119.30 119.48 1c20 s MET 49 Ca 0.02 0.72 -0.28 0.00 -1.71 0.00 0.00 55.69 54.44 1c20 s MET 49 Cb -0.14 -2.10 -0.22 0.00 2.01 0.00 0.00 34.83 34.38 1c20 s MET 49 CO 0.01 -0.55 2.59 0.00 -0.01 0.00 0.00 175.02 177.07 1c20 n ALA 50 N -2.72 0.45 -1.58 3.03 0.00 -1.26 0.20 120.51 118.63 1c20 n ALA 50 Ca 0.06 -0.44 -0.20 0.00 0.00 0.00 0.00 53.44 52.86 1c20 n ALA 50 Cb 0.54 -2.41 -0.09 0.00 0.00 0.00 0.00 19.45 17.50 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 8.18 -1.39 -4.17 0.00 4.81 -1.26 -4.91 118.16 119.41 1c20 n LYS 51 Ca 0.63 1.20 -0.17 0.00 -0.87 0.00 0.00 58.31 59.10 1c20 n LYS 51 Cb 0.11 -5.55 -0.05 0.00 0.02 0.00 0.00 35.03 29.55 1c20 n LYS 51 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1c20 n SER 52 N -1.23 -1.11 -4.16 3.14 2.88 0.52 -5.17 113.62 108.49 1c20 n SER 52 Ca -0.20 -3.10 -0.21 0.00 -1.33 0.00 0.00 58.87 54.03 1c20 n SER 52 Cb 0.66 2.24 -0.14 0.00 -0.75 0.00 0.00 64.21 66.22 1c20 n SER 52 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1c20 s VAL 53 N -3.08 1.21 -0.57 2.46 -7.23 -1.26 0.16 120.40 112.09 1c20 s VAL 53 Ca 0.35 -1.00 -0.26 0.00 -1.81 0.00 0.00 61.98 59.26 1c20 s VAL 53 Cb 0.00 -1.08 -0.07 0.00 0.56 0.00 0.00 36.38 35.80 1c20 s VAL 53 CO 0.25 0.06 2.29 -0.22 -0.31 0.00 0.00 175.10 177.17 1c20 s LEU 54 N -1.08 3.31 -0.78 1.32 2.96 -1.18 -4.70 118.68 118.52 1c20 s LEU 54 Ca 0.03 0.75 -0.25 0.00 -0.22 0.00 0.00 54.13 54.43 1c20 s LEU 54 Cb -0.08 -2.51 -0.03 0.00 0.50 0.00 0.00 46.19 44.07 1c20 s LEU 54 CO 0.01 -2.91 1.88 -0.62 -1.32 0.00 0.00 176.35 173.39 1c20 s ASP 55 N 11.12 5.26 0.64 3.68 -1.08 -1.26 -4.77 116.67 130.26 1c20 s ASP 55 Ca 0.90 -0.28 0.32 0.00 -0.52 0.00 0.00 52.55 52.97 1c20 s ASP 55 Cb -0.15 -2.55 1.74 0.00 -1.46 0.00 0.00 42.92 40.50 1c20 s ASP 55 CO 0.22 -2.53 2.02 0.17 0.52 0.00 0.00 175.17 175.57 1c20 h LEU 56 N 16.99 0.00 -1.01 -1.34 8.10 -2.01 0.28 115.31 136.32 1c20 h LEU 56 Ca -0.06 0.00 0.01 0.00 0.11 0.00 0.00 57.88 57.94 1c20 h LEU 56 Cb 1.07 0.00 -0.05 0.00 -0.44 0.00 0.00 40.66 41.24 1c20 h LEU 56 CO 1.22 0.00 0.67 0.22 -4.11 0.00 0.00 178.44 176.44 1c20 h TYR 57 N 0.00 1.27 -0.95 0.17 5.03 -2.00 -2.36 116.97 118.13 1c20 h TYR 57 Ca 0.05 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.38 1c20 h TYR 57 Cb 0.60 -0.43 -0.05 0.00 1.55 0.00 0.00 36.73 38.41 1c20 h TYR 57 CO 0.00 0.80 0.57 1.49 -1.32 0.00 0.00 178.16 179.70 1c20 h GLU 58 N 1.37 1.29 -0.06 1.82 4.57 -1.33 -1.56 114.58 120.68 1c20 h GLU 58 Ca 0.37 -0.12 0.01 0.00 -1.18 0.00 0.00 59.36 58.44 1c20 h GLU 58 Cb -0.16 -0.27 -0.01 0.00 -0.16 0.00 0.00 28.75 28.15 1c20 h GLU 58 CO -0.08 0.91 -0.01 1.25 -1.18 0.00 0.00 179.01 179.90 1c20 h LEU 59 N 1.31 -0.04 -0.03 1.64 5.85 -1.52 -0.96 115.31 121.56 1c20 h LEU 59 Ca 0.34 0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.07 1c20 h LEU 59 Cb -0.05 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.01 1c20 h LEU 59 CO -0.06 -0.01 0.02 0.22 -0.34 0.00 0.00 178.44 178.27 1c20 h TYR 60 N 0.01 0.03 -0.27 1.25 3.20 -1.33 -1.63 116.97 118.23 1c20 h TYR 60 Ca 0.03 0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.91 1c20 h TYR 60 Cb 0.03 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.27 1c20 h TYR 60 CO -0.11 0.02 0.15 -2.95 -1.64 0.00 0.00 178.16 173.63 1c20 h ASN 61 N 0.04 0.23 -0.96 -2.11 7.08 -1.10 -1.74 115.58 117.02 1c20 h ASN 61 Ca 0.01 0.01 -0.00 0.00 -3.08 0.00 0.00 56.30 53.23 1c20 h ASN 61 Cb -0.00 -0.04 -0.05 0.00 -2.08 0.00 0.00 38.32 36.15 1c20 h ASN 61 CO -0.00 0.17 0.59 -0.07 -2.08 0.00 0.00 177.43 176.03 1c20 h LEU 62 N 0.31 1.15 0.55 6.14 3.38 -1.06 0.11 115.31 125.89 1c20 h LEU 62 Ca 0.11 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 1c20 h LEU 62 Cb 0.02 -0.29 0.01 0.00 0.09 0.00 0.00 40.66 40.48 1c20 h LEU 62 CO -0.06 0.87 -0.26 0.58 0.09 0.00 0.00 178.44 179.66 1c20 h VAL 63 N 1.32 0.43 -0.88 1.22 2.07 -0.81 -2.97 116.25 116.62 1c20 h VAL 63 Ca 0.35 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.66 1c20 h VAL 63 Cb -0.07 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 30.16 1c20 h VAL 63 CO -0.07 0.03 0.46 0.40 0.02 0.00 0.00 177.57 178.42 1c20 h ILE 64 N -0.86 1.26 0.00 4.57 1.08 -1.22 -1.03 117.51 121.31 1c20 h ILE 64 Ca -0.08 -0.67 0.00 0.00 -0.39 0.00 0.00 64.86 63.72 1c20 h ILE 64 Cb 0.61 0.08 0.00 0.00 -3.07 0.00 0.00 36.82 34.44 1c20 h ILE 64 CO 0.12 0.30 0.34 0.00 -0.69 0.00 0.00 178.15 178.22 1c20 h ALA 65 N 1.27 1.25 0.00 1.87 0.00 -0.61 0.89 119.26 123.92 1c20 h ALA 65 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1c20 h ALA 65 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1c20 h ALA 65 CO -0.05 -0.25 -0.99 0.54 0.00 0.00 0.00 179.25 178.50 1c20 n ARG 66 N -2.20 0.15 0.00 0.00 1.74 -0.39 -4.96 116.66 110.99 1c20 n ARG 66 Ca -0.01 -0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 1c20 n ARG 66 Cb 0.36 -1.53 0.00 0.00 -1.02 0.00 0.00 32.46 30.27 1c20 n ARG 66 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1c20 n GLY 67 N 1.44 1.62 0.00 -0.13 0.00 0.31 -4.93 105.19 103.50 1c20 n GLY 67 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1c20 n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1c20 n GLY 68 N 0.00 4.19 0.18 -0.02 0.00 -1.23 -4.83 105.19 103.48 1c20 n GLY 68 Ca 0.00 -0.96 -0.08 0.00 0.00 0.00 0.00 46.02 44.98 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 0.47 -1.01 0.99 5.85 -1.95 -0.40 115.31 119.26 1c20 h LEU 69 Ca 0.00 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.72 1c20 h LEU 69 Cb 0.00 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 40.86 1c20 h LEU 69 CO 0.00 0.34 0.67 0.58 -0.34 0.00 0.00 178.44 179.69 1c20 h VAL 70 N 0.56 1.26 -0.92 1.05 2.07 -1.97 -0.48 116.25 117.82 1c20 h VAL 70 Ca 0.15 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 1c20 h VAL 70 Cb -0.07 -0.22 -0.04 0.00 -1.52 0.00 0.00 31.29 29.44 1c20 h VAL 70 CO -0.03 0.25 0.52 -0.78 0.02 0.00 0.00 177.57 177.55 1c20 h ASP 71 N 1.36 1.13 -0.00 0.57 1.82 -1.66 -1.00 116.42 118.64 1c20 h ASP 71 Ca 0.37 -0.09 -0.00 0.00 -0.39 0.00 0.00 57.03 56.92 1c20 h ASP 71 Cb -0.16 -0.29 -0.00 0.00 0.68 0.00 0.00 39.33 39.56 1c20 h ASP 71 CO -0.08 0.90 0.00 0.58 -1.61 0.00 0.00 179.24 179.03 1c20 h VAL 72 N 1.28 1.07 -0.00 2.25 2.07 0.42 -1.00 116.25 122.35 1c20 h VAL 72 Ca 0.33 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 67.63 1c20 h VAL 72 Cb -0.00 1.21 -0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1c20 h VAL 72 CO -0.06 0.06 0.00 0.40 0.02 0.00 0.00 177.57 177.99 1c20 h ILE 73 N -0.08 1.05 -0.50 4.57 2.04 -0.86 2.30 117.51 126.03 1c20 h ILE 73 Ca 0.00 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.73 1c20 h ILE 73 Cb 0.09 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 1c20 h ILE 73 CO -0.00 0.03 0.33 -1.13 0.00 0.00 0.00 178.15 177.38 1c20 h ASN 74 N -0.05 0.57 0.30 1.72 -0.73 -1.15 -1.42 115.58 114.82 1c20 h ASN 74 Ca 0.00 -0.02 0.00 0.00 1.87 0.00 0.00 56.30 58.15 1c20 h ASN 74 Cb 0.06 -0.14 0.00 0.00 0.27 0.00 0.00 38.32 38.50 1c20 h ASN 74 CO -0.00 0.42 -0.16 0.29 -0.37 0.00 0.00 177.43 177.60 1c20 n LYS 75 N -4.74 0.78 -3.53 6.67 4.76 -0.38 -4.55 118.16 117.17 1c20 n LYS 75 Ca 0.02 -0.36 -0.23 0.00 -2.87 0.00 0.00 58.31 54.87 1c20 n LYS 75 Cb 0.02 -1.49 0.04 0.00 -1.84 0.00 0.00 35.03 31.76 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 -0.80 -1.43 -0.43 1.97 4.81 0.76 -4.87 118.16 118.18 1c20 n LYS 76 Ca 0.14 0.72 0.09 0.00 -0.87 0.00 0.00 58.31 58.39 1c20 n LYS 76 Cb 0.31 -4.46 0.30 0.00 0.02 0.00 0.00 35.03 31.20 1c20 n LYS 76 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1c20 n LEU 77 N -3.49 3.81 0.12 3.14 4.77 -0.06 -4.28 117.00 121.01 1c20 n LEU 77 Ca -0.10 -1.92 0.20 0.00 -0.03 0.00 0.00 56.01 54.16 1c20 n LEU 77 Cb 0.59 -0.48 0.76 0.00 -2.33 0.00 0.00 43.42 41.96 1c20 n LEU 77 CO 0.63 0.78 1.17 -0.50 -1.33 0.00 0.00 177.39 178.15 1c20 h TRP 78 N 3.64 0.00 -0.62 -1.77 4.06 -1.89 0.55 115.95 119.91 1c20 h TRP 78 Ca 0.00 0.00 0.01 0.00 2.06 0.00 0.00 58.89 60.96 1c20 h TRP 78 Cb 1.08 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 29.21 1c20 h TRP 78 CO 0.55 0.00 0.41 1.96 -3.56 0.00 0.00 178.44 177.80 1c20 h GLN 79 N 0.00 0.82 -0.26 0.49 1.08 -1.98 -0.74 115.11 114.52 1c20 h GLN 79 Ca 0.17 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.32 1c20 h GLN 79 Cb 0.98 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 28.22 1c20 h GLN 79 CO -0.00 0.54 0.17 0.93 -0.95 0.00 0.00 178.83 179.52 1c20 h GLU 80 N 0.84 0.35 -0.24 1.46 4.39 -0.23 1.58 114.58 122.73 1c20 h GLU 80 Ca 0.23 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.89 1c20 h GLU 80 Cb -0.09 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.47 1c20 h GLU 80 CO -0.05 0.23 0.09 0.82 -1.16 0.00 0.00 179.01 178.94 1c20 h ILE 81 N 0.35 1.18 -1.01 3.13 2.04 -1.45 1.57 117.51 123.32 1c20 h ILE 81 Ca 0.10 -0.55 0.01 0.00 1.00 0.00 0.00 64.86 65.41 1c20 h ILE 81 Cb -0.04 1.10 -0.05 0.00 -0.74 0.00 0.00 36.82 37.09 1c20 h ILE 81 CO -0.02 0.18 0.67 0.40 0.00 0.00 0.00 178.15 179.38 1c20 h ILE 82 N 0.22 1.26 0.00 -0.67 2.04 -0.71 1.71 117.51 121.36 1c20 h ILE 82 Ca 0.08 -0.47 0.00 0.00 1.00 0.00 0.00 64.86 65.47 1c20 h ILE 82 Cb 0.20 -0.23 0.00 0.00 -0.74 0.00 0.00 36.82 36.05 1c20 h ILE 82 CO -0.00 0.25 0.00 0.50 0.00 0.00 0.00 178.15 178.89 1c20 h LYS 83 N 1.37 0.00 -0.22 2.37 3.64 0.32 0.25 116.57 124.30 1c20 h LYS 83 Ca 0.37 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.75 1c20 h LYS 83 Cb -0.16 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.66 1c20 h LYS 83 CO -0.08 0.00 0.00 0.41 -2.27 0.00 0.00 179.45 177.51 1c20 n GLY 84 N 0.01 0.04 0.55 5.01 0.00 0.57 -4.90 105.19 106.47 1c20 n GLY 84 Ca 0.02 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1c20 n GLY 84 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1c20 n LEU 85 N 0.15 0.00 -1.19 0.99 -0.00 0.88 -4.62 117.00 113.21 1c20 n LEU 85 Ca 0.07 0.00 0.11 0.00 -0.00 0.00 0.00 56.01 56.19 1c20 n LEU 85 Cb 0.19 0.00 0.28 0.00 -0.00 0.00 0.00 43.42 43.89 1c20 n LEU 85 CO 0.05 0.00 0.74 1.41 -0.00 0.00 0.00 177.39 179.59 1c20 n HIS 86 N -0.16 0.80 -2.41 1.47 8.25 -1.26 -4.94 115.22 116.96 1c20 n HIS 86 Ca 0.00 -0.40 -0.35 0.00 -0.26 0.00 0.00 57.72 56.71 1c20 n HIS 86 Cb 0.00 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.09 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 -1.11 3.82 0.00 2.41 2.01 -1.26 -4.99 118.68 119.57 1c20 s LEU 87 Ca 0.43 2.06 0.00 0.00 0.01 0.00 0.00 54.13 56.63 1c20 s LEU 87 Cb 0.23 -4.54 0.00 0.00 0.01 0.00 0.00 46.19 41.89 1c20 s LEU 87 CO 0.30 -0.97 0.99 -2.65 1.01 0.00 0.00 176.35 175.03 1c20 n PRO 88 N -1.06 0.00 -1.49 1.29 -0.01 -1.26 -2.98 135.00 129.49 1c20 n PRO 88 Ca 0.10 0.69 -0.35 0.00 -0.01 0.00 0.00 63.50 63.94 1c20 n PRO 88 Cb 0.51 -1.49 0.07 0.00 -0.01 0.00 0.00 33.50 32.58 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 -2.37 7.45 -3.82 2.55 7.64 -1.26 -4.83 113.62 118.98 1c20 n SER 89 Ca 0.00 -3.79 -0.25 0.00 1.01 0.00 0.00 58.87 55.84 1c20 n SER 89 Cb 0.00 -0.94 0.02 0.00 -1.01 0.00 0.00 64.21 62.28 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 -0.84 -2.07 -4.29 6.43 3.41 -1.16 -4.61 113.62 110.50 1c20 n SER 90 Ca 0.60 -0.85 -0.50 0.00 -0.26 0.00 0.00 58.87 57.86 1c20 n SER 90 Cb 0.61 -3.81 -0.13 0.00 -0.26 0.00 0.00 64.21 60.62 1c20 n SER 90 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1c20 n ILE 91 N -4.41 0.00 0.71 -1.33 2.08 -1.26 -4.68 119.36 110.46 1c20 n ILE 91 Ca -0.20 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.11 1c20 n ILE 91 Cb 0.63 -0.49 0.00 0.00 -0.75 0.00 0.00 39.64 39.03 1c20 n ILE 91 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 1c20 n THR 92 N 6.85 0.63 -2.18 1.39 -2.24 -1.26 -2.78 114.28 114.68 1c20 n THR 92 Ca 0.59 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 62.33 1c20 n THR 92 Cb -0.01 -0.80 0.01 0.00 -2.10 0.00 0.00 70.33 67.43 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 0.59 -0.92 -0.01 3.42 2.88 -1.26 -4.98 113.62 113.35 1c20 n SER 93 Ca 0.00 -1.71 -0.08 0.00 -1.33 0.00 0.00 58.87 55.75 1c20 n SER 93 Cb 0.34 0.35 0.09 0.00 -0.75 0.00 0.00 64.21 64.24 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 0.31 0.81 -0.20 -1.46 0.00 -1.90 -2.93 119.26 113.90 1c20 h ALA 94 Ca -0.41 -0.46 0.05 0.00 0.00 0.00 0.00 54.91 54.10 1c20 h ALA 94 Cb 1.22 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.83 1c20 h ALA 94 CO -0.19 0.65 -0.37 0.00 0.00 0.00 0.00 179.25 179.34 1c20 h ALA 95 N 1.06 -0.43 -0.55 0.00 0.00 -1.90 1.57 119.26 119.01 1c20 h ALA 95 Ca 0.03 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1c20 h ALA 95 Cb 0.95 0.72 -0.02 0.00 0.00 0.00 0.00 17.79 19.43 1c20 h ALA 95 CO 0.08 -0.84 0.21 0.35 0.00 0.00 0.00 179.25 179.05 1c20 h PHE 96 N -0.41 0.84 -0.48 0.00 3.04 -1.99 -2.25 116.94 115.71 1c20 h PHE 96 Ca 0.10 -0.07 -0.13 0.00 3.98 0.00 0.00 57.97 61.86 1c20 h PHE 96 Cb 0.58 -0.25 -0.01 0.00 2.56 0.00 0.00 35.95 38.83 1c20 h PHE 96 CO -0.48 0.70 -0.20 1.15 -2.02 0.00 0.00 178.31 177.45 1c20 h THR 97 N 0.75 1.27 -0.21 4.41 2.02 -1.09 -3.07 112.91 116.97 1c20 h THR 97 Ca 0.18 -1.37 -0.03 0.00 0.77 0.00 0.00 66.41 65.97 1c20 h THR 97 Cb 0.22 1.13 -0.01 0.00 -1.74 0.00 0.00 68.15 67.75 1c20 h THR 97 CO -0.01 0.47 0.03 -0.07 0.37 0.00 0.00 175.52 176.31 1c20 h LEU 98 N 0.84 0.34 -1.47 2.58 3.38 0.24 -2.51 115.31 118.71 1c20 h LEU 98 Ca 0.11 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 57.82 1c20 h LEU 98 Cb 0.78 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 1c20 h LEU 98 CO 0.06 0.52 0.36 0.08 0.09 0.00 0.00 178.44 179.55 1c20 h ARG 99 N 0.15 0.71 -0.00 1.13 0.11 -1.44 -0.16 114.38 114.88 1c20 h ARG 99 Ca 0.06 -0.04 -0.05 0.00 0.10 0.00 0.00 59.98 60.05 1c20 h ARG 99 Cb 0.32 -0.16 0.00 0.00 1.11 0.00 0.00 29.97 31.25 1c20 h ARG 99 CO 0.00 0.47 -0.21 0.00 0.10 0.00 0.00 179.97 180.34 1c20 h THR 100 N 0.73 1.56 -0.51 0.08 1.03 -1.44 -2.30 112.91 112.06 1c20 h THR 100 Ca 0.20 -1.94 -0.09 0.00 -0.01 0.00 0.00 66.41 64.57 1c20 h THR 100 Cb -0.08 2.80 -0.02 0.00 -1.07 0.00 0.00 68.15 69.78 1c20 h THR 100 CO -0.04 0.53 -0.03 1.56 -0.01 0.00 0.00 175.52 177.53 1c20 h GLN 101 N -0.56 0.92 -0.00 0.00 4.20 -1.37 -0.72 115.11 117.58 1c20 h GLN 101 Ca -0.03 -0.31 0.00 0.00 0.06 0.00 0.00 58.65 58.38 1c20 h GLN 101 Cb 0.97 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.68 1c20 h GLN 101 CO 0.04 0.96 -0.00 -0.92 -0.67 0.00 0.00 178.83 178.24 1c20 h TYR 102 N 0.79 -0.00 -0.08 2.96 5.03 -1.12 -2.03 116.97 122.51 1c20 h TYR 102 Ca 0.14 0.00 -0.03 0.00 2.58 0.00 0.00 58.73 61.42 1c20 h TYR 102 Cb 0.56 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.83 1c20 h TYR 102 CO 0.04 -0.00 -0.09 1.98 -1.32 0.00 0.00 178.16 178.77 1c20 h MET 103 N -0.00 0.12 -1.00 1.82 4.05 -1.27 1.93 114.93 120.58 1c20 h MET 103 Ca 0.00 -0.02 0.01 0.00 -0.28 0.00 0.00 59.70 59.41 1c20 h MET 103 Cb 0.00 -0.02 -0.05 0.00 -0.80 0.00 0.00 31.60 30.73 1c20 h MET 103 CO -0.00 0.22 0.66 -0.22 0.23 0.00 0.00 176.91 177.81 1c20 h LYS 104 N 0.12 1.32 0.00 0.39 3.64 -0.37 -3.36 116.57 118.30 1c20 h LYS 104 Ca 0.03 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1c20 h LYS 104 Cb 0.24 -0.30 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 1c20 h LYS 104 CO 0.01 0.87 0.00 0.66 -2.27 0.00 0.00 179.45 178.73 1c20 n TYR 105 N -4.38 0.00 0.40 1.91 4.01 -1.03 -4.89 117.16 113.18 1c20 n TYR 105 Ca 0.12 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.93 1c20 n TYR 105 Cb 0.01 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 38.95 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 -0.04 0.41 -0.02 7.72 4.77 0.65 -4.29 117.00 126.19 1c20 n LEU 106 Ca 0.00 -0.30 -0.10 0.00 -0.03 0.00 0.00 56.01 55.58 1c20 n LEU 106 Cb 0.06 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.19 1c20 n LEU 106 CO 0.00 0.10 0.49 0.22 -1.33 0.00 0.00 177.39 176.88 1c20 h TYR 107 N 0.00 0.79 -0.08 -1.77 3.20 -1.46 -1.66 116.97 115.99 1c20 h TYR 107 Ca 0.00 -0.27 -0.21 0.00 3.14 0.00 0.00 58.73 61.39 1c20 h TYR 107 Cb 0.47 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.59 1c20 h TYR 107 CO 0.00 1.02 -0.81 -1.00 -1.64 0.00 0.00 178.16 175.73 1c20 h PRO 108 N 0.50 0.54 -0.20 1.82 0.14 -1.84 -3.06 132.00 129.89 1c20 h PRO 108 Ca 0.02 -0.47 -0.04 0.00 0.14 0.00 0.00 66.00 65.65 1c20 h PRO 108 Cb 1.07 0.11 -0.01 0.00 0.14 0.00 0.00 31.00 32.31 1c20 h PRO 108 CO 0.10 1.10 -0.02 -0.92 0.14 0.00 0.00 178.00 178.40 1c20 h TYR 109 N 0.35 0.40 -0.29 1.56 3.20 -1.73 -1.64 116.97 118.82 1c20 h TYR 109 Ca -0.05 -0.08 0.05 0.00 3.14 0.00 0.00 58.73 61.78 1c20 h TYR 109 Cb 1.41 -0.10 -0.04 0.00 1.54 0.00 0.00 36.73 39.54 1c20 h TYR 109 CO 0.06 0.59 0.03 1.49 -1.64 0.00 0.00 178.16 178.69 1c20 h GLU 110 N 0.10 0.12 -0.16 1.82 4.81 -1.35 -1.97 114.58 117.95 1c20 h GLU 110 Ca 0.05 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.20 1c20 h GLU 110 Cb 0.44 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 1c20 h GLU 110 CO 0.01 0.08 -0.25 0.00 -0.73 0.00 0.00 179.01 178.12 1c20 h GLU 112 N 0.27 0.35 -0.31 0.00 4.22 -0.55 2.69 114.58 121.24 1c20 h GLU 112 Ca 0.04 -0.08 -0.18 0.00 0.08 0.00 0.00 59.36 59.22 1c20 h GLU 112 Cb 0.60 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.80 1c20 h GLU 112 CO 0.04 0.45 -0.52 0.87 -2.18 0.00 0.00 179.01 177.68 1c20 h LYS 113 N 0.19 0.90 0.00 1.92 1.79 -1.38 -3.38 116.57 116.61 1c20 h LYS 113 Ca 0.07 -0.55 0.00 0.00 -2.18 0.00 0.00 60.65 57.99 1c20 h LYS 113 Cb 0.25 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 30.96 1c20 h LYS 113 CO -0.00 1.19 -0.35 1.63 -1.08 0.00 0.00 179.45 180.85 1c20 n LYS 114 N -4.02 4.48 -3.75 3.15 4.76 -0.89 -5.03 118.16 116.86 1c20 n LYS 114 Ca -0.04 0.00 -0.22 0.00 -2.87 0.00 0.00 58.31 55.18 1c20 n LYS 114 Cb 0.61 -0.67 0.02 0.00 -1.84 0.00 0.00 35.03 33.16 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 -1.15 -0.98 -0.35 4.39 4.05 0.90 -4.85 115.26 117.27 1c20 n ASN 115 Ca 0.00 -0.86 -0.03 0.00 0.45 0.00 0.00 54.58 54.14 1c20 n ASN 115 Cb 0.00 -3.85 0.09 0.00 1.23 0.00 0.00 39.78 37.26 1c20 n ASN 115 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 1c20 h LEU 116 N -1.86 1.14 0.00 1.20 3.38 -1.80 -3.47 115.31 113.90 1c20 h LEU 116 Ca -0.62 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.27 1c20 h LEU 116 Cb 1.36 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1c20 h LEU 116 CO 0.58 0.88 0.10 -1.20 0.09 0.00 0.00 178.44 178.89 1c20 n SER 117 N -4.35 -0.78 -4.26 -0.43 7.64 -1.26 -5.08 113.62 105.11 1c20 n SER 117 Ca 0.10 -1.53 -0.21 0.00 1.01 0.00 0.00 58.87 58.25 1c20 n SER 117 Cb 0.07 1.29 -0.12 0.00 -1.01 0.00 0.00 64.21 64.44 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 -2.68 1.50 0.65 0.44 -4.23 -1.26 -4.93 115.64 105.13 1c20 s THR 118 Ca 0.06 -1.62 0.20 0.00 -1.18 0.00 0.00 61.69 59.15 1c20 s THR 118 Cb -0.02 -1.51 0.22 0.00 1.34 0.00 0.00 72.50 72.53 1c20 s THR 118 CO 0.04 -0.25 1.58 -0.65 -0.54 0.00 0.00 174.62 174.80 1c20 h PRO 119 N 3.80 0.00 0.51 3.99 0.10 -2.00 -1.84 132.00 136.55 1c20 h PRO 119 Ca -0.42 0.00 -0.02 0.00 0.10 0.00 0.00 66.00 65.65 1c20 h PRO 119 Cb 1.19 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.30 1c20 h PRO 119 CO 0.45 0.00 -0.24 0.00 0.10 0.00 0.00 178.00 178.31 1c20 h ALA 120 N 0.86 -0.68 0.00 -0.75 0.00 -2.01 -2.84 119.26 113.84 1c20 h ALA 120 Ca 0.05 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1c20 h ALA 120 Cb 1.30 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.35 1c20 h ALA 120 CO -0.00 -0.67 -0.19 1.05 0.00 0.00 0.00 179.25 179.44 1c20 h GLU 121 N -1.11 0.00 -0.68 0.00 4.11 -1.78 -2.54 114.58 112.59 1c20 h GLU 121 Ca -0.07 0.00 0.01 0.00 0.07 0.00 0.00 59.36 59.37 1c20 h GLU 121 Cb 0.58 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 1c20 h GLU 121 CO 0.11 0.19 0.45 1.25 0.07 0.00 0.00 179.01 181.08 1c20 h LEU 122 N 0.00 0.78 -0.65 3.06 5.85 -1.34 0.23 115.31 123.24 1c20 h LEU 122 Ca -0.00 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.70 1c20 h LEU 122 Cb 0.55 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 1c20 h LEU 122 CO 0.02 0.56 0.43 -0.61 -0.34 0.00 0.00 178.44 178.51 1c20 h GLN 123 N 0.92 0.85 -0.92 1.25 5.75 -1.20 0.61 115.11 122.37 1c20 h GLN 123 Ca 0.25 -0.05 -0.00 0.00 -0.15 0.00 0.00 58.65 58.69 1c20 h GLN 123 Cb -0.11 -0.19 -0.04 0.00 1.07 0.00 0.00 27.48 28.21 1c20 h GLN 123 CO -0.05 0.57 0.56 0.00 -2.65 0.00 0.00 178.83 177.25 1c20 h ALA 124 N 1.24 1.25 -0.59 3.38 0.00 -1.25 0.25 119.26 123.55 1c20 h ALA 124 Ca 0.24 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 1c20 h ALA 124 Cb -0.10 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.30 1c20 h ALA 124 CO -0.05 0.64 -0.04 0.00 0.00 0.00 0.00 179.25 179.80 1c20 h ALA 125 N 1.35 0.81 -0.35 0.00 0.00 0.12 -2.59 119.26 118.60 1c20 h ALA 125 Ca 0.33 -0.33 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 1c20 h ALA 125 Cb -0.06 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1c20 h ALA 125 CO -0.06 0.67 -0.41 0.82 0.00 0.00 0.00 179.25 180.27 1c20 h ILE 126 N 0.96 1.28 -0.12 0.00 2.04 0.10 -2.82 117.51 118.95 1c20 h ILE 126 Ca 0.16 -1.59 0.00 0.00 1.00 0.00 0.00 64.86 64.44 1c20 h ILE 126 Cb 0.61 1.44 -0.01 0.00 -0.74 0.00 0.00 36.82 38.12 1c20 h ILE 126 CO 0.04 0.52 0.08 -0.78 0.00 0.00 0.00 178.15 178.01 1c20 h ASP 127 N 0.70 0.14 0.00 1.72 1.82 -0.37 -1.35 116.42 119.08 1c20 h ASP 127 Ca 0.05 -0.01 -0.00 0.00 -0.39 0.00 0.00 57.03 56.69 1c20 h ASP 127 Cb 0.99 -0.04 -0.00 0.00 0.68 0.00 0.00 39.33 40.96 1c20 h ASP 127 CO 0.10 0.10 -0.00 1.23 -1.61 0.00 0.00 179.24 179.06 1c20 h GLY 128 N 0.16 0.00 1.04 -0.78 0.00 -1.46 0.90 103.07 102.93 1c20 h GLY 128 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1c20 h GLY 128 CO -0.01 0.00 0.00 -2.01 0.00 0.00 0.00 176.54 174.52 1c20 n ASN 129 N -4.46 0.00 0.00 0.19 2.85 -0.52 -5.01 115.26 108.31 1c20 n ASN 129 Ca -0.03 -0.49 0.00 0.00 -0.11 0.00 0.00 54.58 53.95 1c20 n ASN 129 Cb 0.09 -0.02 0.00 0.00 1.24 0.00 0.00 39.78 41.09 1c20 n ASN 129 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69