#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 2.90 0.04 1.61 -0.00 -1.26 -5.13 118.94 117.10 1c20 s TRP 4 Ca 0.00 -0.03 -0.00 0.00 -0.00 0.00 0.00 56.10 56.06 1c20 s TRP 4 Cb 0.00 -1.60 -0.03 0.00 -0.00 0.00 0.00 33.47 31.84 1c20 s TRP 4 CO 0.00 0.39 -0.03 -1.54 -0.00 0.00 0.00 176.95 175.76 1c20 s SER 5 N -1.51 0.42 0.18 5.86 1.04 -1.26 -5.05 113.70 113.38 1c20 s SER 5 Ca 0.18 -0.77 -0.11 0.00 0.48 0.00 0.00 55.95 55.73 1c20 s SER 5 Cb -0.11 0.15 0.09 0.00 0.10 0.00 0.00 66.02 66.25 1c20 s SER 5 CO 0.09 -0.45 1.73 -0.26 0.98 0.00 0.00 173.24 175.33 1c20 h PHE 6 N 3.84 0.99 0.00 5.02 0.04 -2.01 -2.44 116.94 122.38 1c20 h PHE 6 Ca -0.33 -0.08 -0.04 0.00 2.80 0.00 0.00 57.97 60.31 1c20 h PHE 6 Cb 1.17 -0.29 -0.01 0.00 2.20 0.00 0.00 35.95 39.02 1c20 h PHE 6 CO 0.59 0.79 -0.20 1.05 -0.60 0.00 0.00 178.31 179.94 1c20 h GLU 7 N 0.91 0.00 -0.84 1.51 4.11 -2.00 -2.22 114.58 116.04 1c20 h GLU 7 Ca 0.21 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.61 1c20 h GLU 7 Cb 0.23 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.44 1c20 h GLU 7 CO -0.01 0.20 0.38 1.49 0.07 0.00 0.00 179.01 181.13 1c20 h GLU 8 N 0.00 1.22 0.00 1.06 4.81 -1.85 -0.90 114.58 118.93 1c20 h GLU 8 Ca -0.00 -0.19 -0.04 0.00 -0.13 0.00 0.00 59.36 59.00 1c20 h GLU 8 Cb 0.35 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 1c20 h GLU 8 CO 0.03 0.96 -0.17 0.37 -0.73 0.00 0.00 179.01 179.46 1c20 h GLN 9 N 1.20 0.00 0.63 1.92 5.75 -1.35 -3.12 115.11 120.14 1c20 h GLN 9 Ca 0.29 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.75 1c20 h GLN 9 Cb 0.15 0.00 0.01 0.00 1.07 0.00 0.00 27.48 28.71 1c20 h GLN 9 CO -0.03 0.17 -0.30 0.35 -2.65 0.00 0.00 178.83 176.36 1c20 h PHE 10 N 0.00 -0.78 0.00 3.99 3.04 -0.91 -2.74 116.94 119.54 1c20 h PHE 10 Ca -0.00 -0.02 -0.00 0.00 3.98 0.00 0.00 57.97 61.93 1c20 h PHE 10 Cb 0.54 0.26 -0.00 0.00 2.56 0.00 0.00 35.95 39.31 1c20 h PHE 10 CO 0.00 -0.44 -0.00 1.57 -2.02 0.00 0.00 178.31 177.41 1c20 h LYS 11 N -0.99 0.00 -0.90 1.11 2.10 -1.52 -0.64 116.57 115.73 1c20 h LYS 11 Ca -0.09 0.00 0.01 0.00 -2.00 0.00 0.00 60.65 58.57 1c20 h LYS 11 Cb 0.69 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.97 1c20 h LYS 11 CO 0.14 0.00 0.60 1.96 -2.00 0.00 0.00 179.45 180.15 1c20 h GLN 12 N 0.00 1.18 -1.00 0.07 4.20 -1.43 -1.16 115.11 116.97 1c20 h GLN 12 Ca -0.00 -0.07 0.01 0.00 0.06 0.00 0.00 58.65 58.65 1c20 h GLN 12 Cb 0.01 -0.27 -0.05 0.00 0.30 0.00 0.00 27.48 27.47 1c20 h GLN 12 CO 0.00 0.78 0.67 0.28 -0.67 0.00 0.00 178.83 179.89 1c20 h VAL 13 N 1.22 1.26 -0.96 -0.54 2.07 -0.91 -1.07 116.25 117.31 1c20 h VAL 13 Ca 0.33 -0.47 0.13 0.00 0.82 0.00 0.00 66.70 67.52 1c20 h VAL 13 Cb -0.13 -0.22 -0.08 0.00 -1.52 0.00 0.00 31.29 29.33 1c20 h VAL 13 CO -0.07 0.25 0.61 -0.09 0.02 0.00 0.00 177.57 178.28 1c20 h ARG 14 N 1.36 0.85 -0.12 1.57 9.65 -1.18 0.34 114.38 126.85 1c20 h ARG 14 Ca 0.37 -0.05 -0.00 0.00 -1.10 0.00 0.00 59.98 59.19 1c20 h ARG 14 Cb -0.16 -0.19 -0.01 0.00 -1.39 0.00 0.00 29.97 28.22 1c20 h ARG 14 CO -0.08 0.56 0.07 -0.56 2.80 0.00 0.00 179.97 182.76 1c20 h GLN 15 N 0.88 0.16 -0.71 0.20 3.07 -1.07 -1.46 115.11 116.19 1c20 h GLN 15 Ca 0.48 -0.01 -0.01 0.00 0.09 0.00 0.00 58.65 59.20 1c20 h GLN 15 Cb 0.59 -0.04 -0.03 0.00 0.08 0.00 0.00 27.48 28.08 1c20 h GLN 15 CO -0.25 0.12 0.39 -0.07 0.09 0.00 0.00 178.83 179.11 1c20 h LEU 16 N 0.17 0.89 -0.66 0.06 3.38 -0.27 -1.97 115.31 116.90 1c20 h LEU 16 Ca 0.04 -0.10 -0.13 0.00 0.09 0.00 0.00 57.88 57.78 1c20 h LEU 16 Cb 0.01 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1c20 h LEU 16 CO -0.01 0.73 -0.42 1.88 0.09 0.00 0.00 178.44 180.72 1c20 h TYR 17 N 0.98 0.66 0.00 1.13 -1.99 -1.20 -2.69 116.97 113.86 1c20 h TYR 17 Ca 0.25 -0.20 0.00 0.00 2.00 0.00 0.00 58.73 60.78 1c20 h TYR 17 Cb 0.04 -0.14 0.00 0.00 2.00 0.00 0.00 36.73 38.63 1c20 h TYR 17 CO -0.00 0.88 0.00 0.39 -0.00 0.00 0.00 178.16 179.43 1c20 n GLU 18 N -4.02 0.26 -0.31 4.88 -0.58 -0.66 -3.41 120.64 116.80 1c20 n GLU 18 Ca -0.02 0.12 0.03 0.00 -0.42 0.00 0.00 57.16 56.87 1c20 n GLU 18 Cb 0.52 -1.50 0.17 0.00 -0.57 0.00 0.00 31.44 30.07 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 0.94 -2.47 -3.67 2.04 -1.05 -3.45 117.51 109.85 1c20 h ILE 19 Ca 0.00 -0.30 0.16 0.00 1.00 0.00 0.00 64.86 65.72 1c20 h ILE 19 Cb 0.16 -0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.16 1c20 h ILE 19 CO 0.00 0.16 0.43 0.20 0.00 0.00 0.00 178.15 178.94 1c20 s ASN 20 N -5.66 -0.19 -0.08 1.72 0.01 -1.22 -5.02 114.94 104.50 1c20 s ASN 20 Ca -0.12 -0.45 0.11 0.00 -0.71 0.00 0.00 52.86 51.69 1c20 s ASN 20 Cb 0.20 0.54 0.48 0.00 0.41 0.00 0.00 41.25 42.87 1c20 s ASN 20 CO 0.79 -0.99 1.32 0.47 -1.51 0.00 0.00 177.10 177.17 1c20 n ASP 21 N -0.48 3.35 -4.58 -1.22 8.00 -1.26 -4.92 116.55 115.44 1c20 n ASP 21 Ca -0.06 -2.33 -0.49 0.00 0.71 0.00 0.00 54.79 52.63 1c20 n ASP 21 Cb 0.60 -0.48 -0.05 0.00 -0.02 0.00 0.00 41.12 41.17 1c20 n ASP 21 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1c20 n ASP 22 N 0.62 2.87 -0.32 -2.24 2.03 -1.26 -4.83 116.55 113.43 1c20 n ASP 22 Ca 0.17 0.63 -0.02 0.00 0.52 0.00 0.00 54.79 56.09 1c20 n ASP 22 Cb 0.65 -1.35 0.14 0.00 -0.72 0.00 0.00 41.12 39.84 1c20 n ASP 22 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1c20 h PRO 23 N 11.33 1.21 -0.75 -0.67 0.11 -2.00 -2.58 132.00 138.64 1c20 h PRO 23 Ca -0.39 -0.10 0.01 0.00 0.11 0.00 0.00 66.00 65.62 1c20 h PRO 23 Cb 1.29 -0.26 -0.04 0.00 0.11 0.00 0.00 31.00 32.10 1c20 h PRO 23 CO 0.98 0.84 0.49 -0.22 -0.21 0.00 0.00 178.00 179.88 1c20 h LYS 24 N 1.23 0.99 -0.67 1.05 3.64 -2.00 -1.96 116.57 118.85 1c20 h LYS 24 Ca 0.32 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.63 1c20 h LYS 24 Cb -0.07 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 31.50 1c20 h LYS 24 CO -0.06 0.66 0.38 -0.09 -2.27 0.00 0.00 179.45 178.06 1c20 h ARG 25 N 1.02 0.92 -0.46 1.90 2.43 -1.85 -1.32 114.38 117.02 1c20 h ARG 25 Ca 0.27 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 1c20 h ARG 25 Cb -0.11 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.23 1c20 h ARG 25 CO -0.06 0.69 0.30 -0.22 -1.51 0.00 0.00 179.97 179.17 1c20 h LYS 26 N 0.91 0.61 -0.62 0.20 3.64 -1.12 -1.92 116.57 118.27 1c20 h LYS 26 Ca 0.24 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.51 1c20 h LYS 26 Cb 0.02 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.68 1c20 h LYS 26 CO -0.04 0.40 0.13 0.93 -2.27 0.00 0.00 179.45 178.60 1c20 h GLU 27 N 0.62 1.01 0.00 1.90 4.39 -1.04 -2.31 114.58 119.16 1c20 h GLU 27 Ca 0.17 -0.26 0.00 0.00 0.34 0.00 0.00 59.36 59.61 1c20 h GLU 27 Cb -0.07 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 28.45 1c20 h GLU 27 CO -0.04 0.93 -0.00 0.35 -1.16 0.00 0.00 179.01 179.09 1c20 h PHE 28 N 0.92 -0.01 -0.47 4.33 3.04 -0.88 0.50 116.94 124.39 1c20 h PHE 28 Ca 0.19 0.00 0.01 0.00 3.98 0.00 0.00 57.97 62.15 1c20 h PHE 28 Cb 0.39 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 38.88 1c20 h PHE 28 CO 0.03 -0.00 0.31 -0.07 -2.02 0.00 0.00 178.31 176.55 1c20 h LEU 29 N -0.01 0.53 -1.01 0.59 3.38 -1.28 0.68 115.31 118.19 1c20 h LEU 29 Ca 0.00 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 57.98 1c20 h LEU 29 Cb 0.01 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.57 1c20 h LEU 29 CO -0.00 0.39 0.66 -0.78 0.09 0.00 0.00 178.44 178.80 1c20 h ASP 30 N 0.63 1.12 0.13 -0.43 1.82 -1.16 0.26 116.42 118.79 1c20 h ASP 30 Ca 0.17 -0.02 -0.01 0.00 -0.39 0.00 0.00 57.03 56.79 1c20 h ASP 30 Cb -0.07 -0.27 0.00 0.00 0.68 0.00 0.00 39.33 39.67 1c20 h ASP 30 CO -0.04 0.78 -0.06 -0.78 -1.61 0.00 0.00 179.24 177.53 1c20 h ASP 31 N 1.31 -0.15 0.02 2.28 1.82 0.38 0.72 116.42 122.80 1c20 h ASP 31 Ca 0.39 -0.36 -0.00 0.00 -0.39 0.00 0.00 57.03 56.67 1c20 h ASP 31 Cb -0.05 0.04 -0.00 0.00 0.68 0.00 0.00 39.33 40.00 1c20 h ASP 31 CO -0.11 0.32 -0.01 0.25 -1.61 0.00 0.00 179.24 178.08 1c20 h LEU 32 N -0.68 -0.04 -1.35 2.28 5.85 0.57 -0.82 115.31 121.13 1c20 h LEU 32 Ca -0.02 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 1c20 h LEU 32 Cb 0.51 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 1c20 h LEU 32 CO 0.03 -0.02 0.22 -0.26 -0.34 0.00 0.00 178.44 178.07 1c20 h PHE 33 N -0.04 0.66 -0.03 1.25 0.04 -0.56 -2.57 116.94 115.69 1c20 h PHE 33 Ca -0.00 -0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.75 1c20 h PHE 33 Cb 0.03 -0.21 -0.00 0.00 2.20 0.00 0.00 35.95 37.97 1c20 h PHE 33 CO -0.08 0.49 0.02 0.77 -0.60 0.00 0.00 178.31 178.91 1c20 h SER 34 N 0.67 0.04 0.67 2.17 0.02 -0.00 0.06 113.55 117.18 1c20 h SER 34 Ca 0.17 -0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 61.03 1c20 h SER 34 Cb 0.08 -0.01 0.01 0.00 0.14 0.00 0.00 62.40 62.62 1c20 h SER 34 CO -0.02 0.09 -0.33 0.15 -1.14 0.00 0.00 176.83 175.58 1c20 h PHE 35 N -0.01 -0.85 0.00 3.45 3.04 -0.83 -1.69 116.94 120.06 1c20 h PHE 35 Ca 0.01 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.94 1c20 h PHE 35 Cb 0.05 0.28 0.00 0.00 2.56 0.00 0.00 35.95 38.84 1c20 h PHE 35 CO -0.06 -0.53 0.00 0.00 -2.02 0.00 0.00 178.31 175.71 1c20 n MET 36 N -5.48 0.07 0.02 1.11 0.00 -1.00 -2.62 117.12 109.22 1c20 n MET 36 Ca -0.14 0.44 0.01 0.00 0.00 0.00 0.00 57.70 58.01 1c20 n MET 36 Cb 0.37 -1.68 0.05 0.00 0.00 0.00 0.00 33.22 31.96 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 -1.82 0.01 -0.11 3.17 -0.06 0.01 -1.92 117.38 116.65 1c20 n GLN 37 Ca 0.01 0.34 -0.05 0.00 -2.00 0.00 0.00 57.00 55.30 1c20 n GLN 37 Cb 0.11 -1.74 0.01 0.00 -4.06 0.00 0.00 30.24 24.56 1c20 n GLN 37 CO 0.00 0.00 0.00 -0.22 -0.20 0.00 0.00 177.06 176.64 1c20 h LYS 38 N 0.00 -0.07 -0.12 3.69 3.64 -1.68 0.38 116.57 122.42 1c20 h LYS 38 Ca 0.00 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.26 1c20 h LYS 38 Cb 0.40 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 1c20 h LYS 38 CO 0.00 -0.04 -0.48 0.00 -2.27 0.00 0.00 179.45 176.66 1c20 h ARG 39 N -0.07 0.30 0.00 1.90 2.47 -1.70 -3.46 114.38 113.81 1c20 h ARG 39 Ca 0.19 -0.16 0.00 0.00 -1.26 0.00 0.00 59.98 58.75 1c20 h ARG 39 Cb 0.36 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.69 1c20 h ARG 39 CO -0.43 0.72 0.00 0.41 0.56 0.00 0.00 179.97 181.22 1c20 n GLY 40 N 0.00 1.06 3.62 0.04 0.00 0.13 -5.08 105.19 104.96 1c20 n GLY 40 Ca -0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.22 3.49 0.00 2.61 -4.23 -1.26 -4.96 115.64 109.07 1c20 s THR 41 Ca 0.00 -1.46 0.00 0.00 -1.18 0.00 0.00 61.69 59.05 1c20 s THR 41 Cb 0.00 -2.72 0.00 0.00 1.34 0.00 0.00 72.50 71.12 1c20 s THR 41 CO 0.00 -0.06 0.00 -0.81 -0.54 0.00 0.00 174.62 173.21 1c20 n PRO 42 N 0.11 1.89 0.00 3.99 -0.04 -1.26 -4.75 135.00 134.95 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 0.55 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.01 1c20 n PRO 42 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 1c20 n ILE 43 N -0.35 0.00 -0.00 0.52 0.13 -1.26 -5.02 119.36 113.38 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 -0.62 -0.00 0.00 -0.84 0.00 0.00 39.64 38.18 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 -5.00 9.51 -1.24 -1.94 -3.49 115.58 113.41 1c20 h ASN 44 Ca 0.00 0.00 -0.13 0.00 0.71 0.00 0.00 56.30 56.88 1c20 h ASN 44 Cb 0.00 0.00 -0.20 0.00 0.73 0.00 0.00 38.32 38.85 1c20 h ASN 44 CO 0.00 0.00 -0.44 -0.13 -1.29 0.00 0.00 177.43 175.57 1c20 s ARG 45 N -1.00 0.55 -0.46 6.67 0.52 -1.26 -5.07 118.95 118.90 1c20 s ARG 45 Ca -0.00 -0.42 0.03 0.00 -0.52 0.00 0.00 55.73 54.82 1c20 s ARG 45 Cb 0.00 0.23 0.15 0.00 0.52 0.00 0.00 34.95 35.85 1c20 s ARG 45 CO 0.00 -0.14 0.29 -0.51 0.02 0.00 0.00 175.30 174.96 1c20 s LEU 46 N -1.52 2.45 0.95 2.53 1.43 -1.26 -5.11 118.68 118.15 1c20 s LEU 46 Ca -0.13 -2.82 -0.11 0.00 -1.03 0.00 0.00 54.13 50.05 1c20 s LEU 46 Cb -0.06 -0.89 0.17 0.00 0.03 0.00 0.00 46.19 45.43 1c20 s LEU 46 CO 0.01 -0.23 1.12 -2.84 0.23 0.00 0.00 176.35 174.65 1c20 s PRO 47 N 0.15 0.75 -0.19 1.29 0.02 -1.26 -4.81 135.00 130.95 1c20 s PRO 47 Ca 0.22 1.41 -0.09 0.00 0.02 0.00 0.00 61.00 62.57 1c20 s PRO 47 Cb -0.15 -1.71 -0.04 0.00 0.02 0.00 0.00 34.50 32.61 1c20 s PRO 47 CO -0.06 -2.77 0.09 0.42 -0.33 0.00 0.00 177.00 174.35 1c20 s ILE 48 N -2.63 5.05 -0.31 2.83 -1.09 -1.26 -3.03 121.20 120.76 1c20 s ILE 48 Ca 0.67 0.06 -0.05 0.00 -2.23 0.00 0.00 60.65 59.10 1c20 s ILE 48 Cb -0.23 -3.29 0.04 0.00 -1.58 0.00 0.00 42.46 37.39 1c20 s ILE 48 CO 0.59 0.45 0.06 0.00 -1.23 0.00 0.00 174.94 174.81 1c20 s MET 49 N 0.40 2.67 -0.34 2.79 0.23 0.24 -4.85 119.30 120.45 1c20 s MET 49 Ca 0.05 -1.13 -0.30 0.00 -1.03 0.00 0.00 55.69 53.29 1c20 s MET 49 Cb -0.12 -3.34 0.04 0.00 -1.53 0.00 0.00 34.83 29.89 1c20 s MET 49 CO -0.01 -0.59 0.50 0.00 -2.03 0.00 0.00 175.02 172.89 1c20 n ALA 50 N 4.77 -2.02 0.00 3.16 0.00 -1.26 0.77 120.51 125.93 1c20 n ALA 50 Ca -0.13 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1c20 n ALA 50 Cb 0.45 -1.70 0.00 0.00 0.00 0.00 0.00 19.45 18.20 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 -0.05 0.00 -2.95 0.00 5.02 -1.26 -4.83 118.16 114.10 1c20 n LYS 51 Ca -0.07 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.04 1c20 n LYS 51 Cb 0.55 -3.03 0.03 0.00 -0.02 0.00 0.00 35.03 32.56 1c20 n LYS 51 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1c20 s SER 52 N -0.84 5.40 0.05 4.39 0.01 0.23 -5.12 113.70 117.81 1c20 s SER 52 Ca 0.00 -0.48 0.03 0.00 1.31 0.00 0.00 55.95 56.81 1c20 s SER 52 Cb 0.00 -0.40 -0.02 0.00 0.21 0.00 0.00 66.02 65.80 1c20 s SER 52 CO 0.00 -1.02 -0.09 0.54 0.41 0.00 0.00 173.24 173.08 1c20 s VAL 53 N -2.53 0.65 -0.66 3.43 0.11 -1.26 0.83 120.40 120.97 1c20 s VAL 53 Ca 0.58 -1.08 -0.26 0.00 -2.93 0.00 0.00 61.98 58.28 1c20 s VAL 53 Cb -0.09 -0.69 -0.07 0.00 -1.53 0.00 0.00 36.38 34.00 1c20 s VAL 53 CO 0.36 -0.33 2.21 -0.22 -3.33 0.00 0.00 175.10 173.79 1c20 s LEU 54 N -1.54 3.20 -0.39 2.54 2.96 -1.17 -4.83 118.68 119.45 1c20 s LEU 54 Ca -0.08 0.36 -0.28 0.00 -0.22 0.00 0.00 54.13 53.90 1c20 s LEU 54 Cb -0.10 -2.53 -0.00 0.00 0.50 0.00 0.00 46.19 44.06 1c20 s LEU 54 CO 0.01 -3.00 1.61 -0.62 -1.32 0.00 0.00 176.35 173.03 1c20 s ASP 55 N 10.23 6.08 0.39 3.68 -1.08 -1.26 -4.81 116.67 129.90 1c20 s ASP 55 Ca 0.85 1.00 0.20 0.00 -0.52 0.00 0.00 52.55 54.08 1c20 s ASP 55 Cb -0.13 -2.53 1.08 0.00 -1.46 0.00 0.00 42.92 39.87 1c20 s ASP 55 CO 0.16 -1.61 1.56 0.17 0.52 0.00 0.00 175.17 175.96 1c20 h LEU 56 N 13.08 0.00 -0.45 -1.34 8.10 -2.00 0.79 115.31 133.49 1c20 h LEU 56 Ca -0.30 0.00 -0.08 0.00 0.11 0.00 0.00 57.88 57.61 1c20 h LEU 56 Cb 1.14 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 41.34 1c20 h LEU 56 CO 1.07 0.00 -0.01 0.22 -4.11 0.00 0.00 178.44 175.61 1c20 h TYR 57 N 0.00 0.89 -1.00 0.17 5.03 -2.00 -2.91 116.97 117.15 1c20 h TYR 57 Ca 0.00 -0.16 0.01 0.00 2.58 0.00 0.00 58.73 61.16 1c20 h TYR 57 Cb 0.40 -0.23 -0.05 0.00 1.55 0.00 0.00 36.73 38.40 1c20 h TYR 57 CO 0.00 0.86 0.66 0.93 -1.32 0.00 0.00 178.16 179.29 1c20 h GLU 58 N 0.66 1.32 -0.68 1.82 4.39 -1.22 -1.43 114.58 119.44 1c20 h GLU 58 Ca 0.13 -0.08 0.01 0.00 0.34 0.00 0.00 59.36 59.75 1c20 h GLU 58 Cb 0.52 -0.30 -0.03 0.00 -0.10 0.00 0.00 28.75 28.84 1c20 h GLU 58 CO 0.03 0.88 0.44 1.25 -1.16 0.00 0.00 179.01 180.45 1c20 h LEU 59 N 1.36 0.76 -0.00 1.33 5.85 -1.57 -0.69 115.31 122.35 1c20 h LEU 59 Ca 0.37 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 59.07 1c20 h LEU 59 Cb -0.15 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 40.70 1c20 h LEU 59 CO -0.08 0.55 0.00 0.22 -0.34 0.00 0.00 178.44 178.79 1c20 h TYR 60 N 0.90 0.00 -1.01 1.25 3.20 -1.15 -1.70 116.97 118.46 1c20 h TYR 60 Ca 0.25 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.13 1c20 h TYR 60 Cb -0.09 -0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.13 1c20 h TYR 60 CO -0.03 0.22 0.67 -0.91 -1.64 0.00 0.00 178.16 176.47 1c20 h ASN 61 N -0.22 1.16 -0.83 -2.11 2.35 -1.07 -1.17 115.58 113.68 1c20 h ASN 61 Ca 0.00 -0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 55.68 1c20 h ASN 61 Cb 0.22 -0.29 -0.04 0.00 0.05 0.00 0.00 38.32 38.26 1c20 h ASN 61 CO -0.00 0.84 0.38 -0.07 -1.65 0.00 0.00 177.43 176.93 1c20 h LEU 62 N 1.37 1.11 0.54 1.61 3.38 -1.00 0.51 115.31 122.83 1c20 h LEU 62 Ca 0.37 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.16 1c20 h LEU 62 Cb -0.16 -0.29 0.01 0.00 0.09 0.00 0.00 40.66 40.31 1c20 h LEU 62 CO -0.08 0.95 -0.26 0.58 0.09 0.00 0.00 178.44 179.72 1c20 h VAL 63 N 1.20 0.25 -0.91 1.22 2.07 -0.51 -2.88 116.25 116.68 1c20 h VAL 63 Ca 0.28 -0.43 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 1c20 h VAL 63 Cb 0.15 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 30.24 1c20 h VAL 63 CO -0.03 0.04 0.51 0.40 0.02 0.00 0.00 177.57 178.51 1c20 h ILE 64 N -1.07 1.26 -0.00 4.57 1.08 -1.21 -0.07 117.51 122.07 1c20 h ILE 64 Ca -0.07 -0.64 0.00 0.00 -0.39 0.00 0.00 64.86 63.76 1c20 h ILE 64 Cb 0.62 0.02 -0.00 0.00 -3.07 0.00 0.00 36.82 34.39 1c20 h ILE 64 CO 0.12 0.29 0.30 0.00 -0.69 0.00 0.00 178.15 178.17 1c20 h ALA 65 N 1.28 1.30 -0.03 1.87 0.00 0.05 0.64 119.26 124.38 1c20 h ALA 65 Ca 0.32 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1c20 h ALA 65 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1c20 h ALA 65 CO -0.05 -0.30 -0.00 0.54 0.00 0.00 0.00 179.25 179.44 1c20 n ARG 66 N -2.91 2.27 0.00 0.00 1.74 -0.06 -4.95 116.66 112.75 1c20 n ARG 66 Ca -0.02 -1.85 0.00 0.00 -0.77 0.00 0.00 57.85 55.21 1c20 n ARG 66 Cb 0.35 -1.46 0.00 0.00 -1.02 0.00 0.00 32.46 30.32 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 1.34 2.53 0.00 -0.13 0.00 0.22 -4.80 105.19 104.35 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 -0.61 4.32 0.25 -0.02 0.00 -1.08 -4.79 105.19 103.25 1c20 n GLY 68 Ca 0.00 -1.20 -0.05 0.00 0.00 0.00 0.00 46.02 44.77 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 0.71 -1.00 0.99 5.85 -1.96 -0.14 115.31 119.76 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 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 40.81 1c20 h LEU 69 CO 0.00 0.51 0.66 0.58 -0.34 0.00 0.00 178.44 179.85 1c20 h VAL 70 N 0.84 1.25 -0.67 1.05 2.07 -1.97 0.83 116.25 119.66 1c20 h VAL 70 Ca 0.24 -0.46 -0.08 0.00 0.82 0.00 0.00 66.70 67.21 1c20 h VAL 70 Cb -0.07 -0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 29.46 1c20 h VAL 70 CO -0.06 0.25 0.09 0.44 0.02 0.00 0.00 177.57 178.30 1c20 h ASP 71 N 1.35 1.08 -0.01 0.57 3.32 -1.64 0.33 116.42 121.42 1c20 h ASP 71 Ca 0.37 -0.27 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 1c20 h ASP 71 Cb -0.15 -0.29 -0.00 0.00 0.22 0.00 0.00 39.33 39.11 1c20 h ASP 71 CO -0.08 1.08 0.00 0.58 -1.72 0.00 0.00 179.24 179.10 1c20 h VAL 72 N 1.04 1.03 0.17 -1.35 2.07 0.19 0.41 116.25 119.80 1c20 h VAL 72 Ca 0.20 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.64 1c20 h VAL 72 Cb 0.47 1.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 1c20 h VAL 72 CO 0.02 0.02 -0.08 0.40 0.02 0.00 0.00 177.57 177.95 1c20 h ILE 73 N -0.02 0.88 -0.99 4.57 2.04 -0.65 2.26 117.51 125.60 1c20 h ILE 73 Ca 0.00 -0.19 0.01 0.00 1.00 0.00 0.00 64.86 65.69 1c20 h ILE 73 Cb 0.03 1.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.06 1c20 h ILE 73 CO -0.00 0.04 0.66 -1.13 0.00 0.00 0.00 178.15 177.72 1c20 h ASN 74 N -0.31 1.14 0.71 1.72 -0.73 -0.83 -1.13 115.58 116.16 1c20 h ASN 74 Ca -0.02 -0.03 0.00 0.00 1.87 0.00 0.00 56.30 58.12 1c20 h ASN 74 Cb 0.24 -0.28 0.00 0.00 0.27 0.00 0.00 38.32 38.55 1c20 h ASN 74 CO 0.04 0.83 -0.28 0.29 -0.37 0.00 0.00 177.43 177.94 1c20 n LYS 75 N -4.39 0.02 -3.60 6.67 4.76 0.14 -4.85 118.16 116.90 1c20 n LYS 75 Ca 0.12 -0.01 -0.28 0.00 -2.87 0.00 0.00 58.31 55.27 1c20 n LYS 75 Cb 0.01 -1.50 0.05 0.00 -1.84 0.00 0.00 35.03 31.75 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 -1.49 -1.59 -0.71 1.97 4.81 0.75 -4.87 118.16 117.04 1c20 n LYS 76 Ca 0.06 0.54 0.08 0.00 -0.87 0.00 0.00 58.31 58.12 1c20 n LYS 76 Cb 0.34 -4.51 0.35 0.00 0.02 0.00 0.00 35.03 31.23 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 -4.00 5.00 0.09 3.14 4.77 -0.64 -4.50 117.00 120.86 1c20 n LEU 77 Ca -0.10 -2.85 0.20 0.00 -0.03 0.00 0.00 56.01 53.23 1c20 n LEU 77 Cb 0.60 -0.62 0.75 0.00 -2.33 0.00 0.00 43.42 41.83 1c20 n LEU 77 CO 0.66 0.68 1.18 -0.50 -1.33 0.00 0.00 177.39 178.07 1c20 h TRP 78 N 3.37 0.00 -0.99 -1.77 4.06 -1.90 0.19 115.95 118.91 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 1.71 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 29.83 1c20 h TRP 78 CO 0.86 0.00 0.65 0.37 -3.56 0.00 0.00 178.44 176.76 1c20 h GLN 79 N 0.00 1.30 -0.21 0.49 5.75 -1.98 0.06 115.11 120.52 1c20 h GLN 79 Ca 0.19 -0.08 0.00 0.00 -0.15 0.00 0.00 58.65 58.61 1c20 h GLN 79 Cb 0.94 -0.29 -0.01 0.00 1.07 0.00 0.00 27.48 29.18 1c20 h GLN 79 CO -0.00 0.86 0.14 0.93 -2.65 0.00 0.00 178.83 178.11 1c20 h GLU 80 N 1.34 0.27 -0.00 1.69 4.39 -0.98 1.53 114.58 122.83 1c20 h GLU 80 Ca 0.36 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 60.05 1c20 h GLU 80 Cb -0.15 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.44 1c20 h GLU 80 CO -0.08 0.18 0.00 0.82 -1.16 0.00 0.00 179.01 178.77 1c20 h ILE 81 N 0.28 1.08 -0.71 3.13 2.04 -1.43 0.30 117.51 122.20 1c20 h ILE 81 Ca 0.08 -0.24 -0.07 0.00 1.00 0.00 0.00 64.86 65.63 1c20 h ILE 81 Cb -0.03 1.24 -0.03 0.00 -0.74 0.00 0.00 36.82 37.26 1c20 h ILE 81 CO -0.02 0.06 0.16 0.40 0.00 0.00 0.00 178.15 178.76 1c20 h ILE 82 N -0.10 1.26 -0.55 -0.67 2.04 -0.72 -1.61 117.51 117.17 1c20 h ILE 82 Ca 0.00 -0.99 -0.09 0.00 1.00 0.00 0.00 64.86 64.77 1c20 h ILE 82 Cb 0.10 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 1c20 h ILE 82 CO -0.00 0.38 -0.02 0.50 0.00 0.00 0.00 178.15 179.01 1c20 h LYS 83 N 1.08 0.98 0.00 2.37 3.64 0.25 0.98 116.57 125.87 1c20 h LYS 83 Ca 0.22 -0.33 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1c20 h LYS 83 Cb 0.39 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1c20 h LYS 83 CO 0.00 1.00 0.00 0.41 -2.27 0.00 0.00 179.45 178.59 1c20 n GLY 84 N -0.37 -0.88 2.49 5.01 0.00 0.10 -3.27 105.19 108.27 1c20 n GLY 84 Ca 0.02 -0.07 -0.13 0.00 0.00 0.00 0.00 46.02 45.83 1c20 n GLY 84 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1c20 n LEU 85 N -1.33 -0.67 -4.70 0.99 -0.00 -0.28 -5.06 117.00 105.96 1c20 n LEU 85 Ca 0.07 -4.26 -0.65 0.00 -0.00 0.00 0.00 56.01 51.17 1c20 n LEU 85 Cb 0.14 0.75 -0.10 0.00 -0.00 0.00 0.00 43.42 44.21 1c20 n LEU 85 CO 0.13 2.12 1.24 1.41 -0.00 0.00 0.00 177.39 182.29 1c20 n HIS 86 N 0.23 1.76 -0.06 1.96 8.25 0.32 -4.68 115.22 123.00 1c20 n HIS 86 Ca 0.14 1.01 -0.08 0.00 -0.26 0.00 0.00 57.72 58.53 1c20 n HIS 86 Cb 0.70 -2.28 -0.07 0.00 1.12 0.00 0.00 29.99 29.46 1c20 n HIS 86 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1c20 n LEU 87 N 4.60 1.62 -0.46 2.41 4.77 -1.26 -4.66 117.00 124.02 1c20 n LEU 87 Ca 0.32 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 1c20 n LEU 87 Cb -0.02 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 1c20 n LEU 87 CO 0.88 0.52 0.00 -2.65 -1.33 0.00 0.00 177.39 174.81 1c20 n PRO 88 N -2.67 0.00 0.29 3.23 -0.02 -1.19 -2.56 135.00 132.07 1c20 n PRO 88 Ca -0.21 0.00 0.16 0.00 -2.02 0.00 0.00 63.50 61.43 1c20 n PRO 88 Cb 0.80 -0.90 0.83 0.00 -0.02 0.00 0.00 33.50 34.21 1c20 n PRO 88 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1c20 h SER 89 N 0.72 0.00 0.00 2.55 0.87 -1.99 -3.32 113.55 112.38 1c20 h SER 89 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1c20 h SER 89 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1c20 h SER 89 CO 0.00 0.06 -0.01 -1.54 -0.53 0.00 0.00 176.83 174.81 1c20 n SER 90 N -3.35 0.00 -3.28 6.23 3.41 -1.06 -5.07 113.62 110.50 1c20 n SER 90 Ca -0.01 -1.03 -0.07 0.00 -0.26 0.00 0.00 58.87 57.50 1c20 n SER 90 Cb 0.22 -0.01 -0.05 0.00 -0.26 0.00 0.00 64.21 64.12 1c20 n SER 90 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 1c20 s ILE 91 N 0.00 -0.69 -0.34 -1.33 -1.16 -1.22 -5.03 121.20 111.43 1c20 s ILE 91 Ca 0.00 -0.30 -0.01 0.00 -0.51 0.00 0.00 60.65 59.83 1c20 s ILE 91 Cb 0.00 -0.88 0.21 0.00 0.61 0.00 0.00 42.46 42.39 1c20 s ILE 91 CO 0.00 -0.25 2.09 0.35 -2.81 0.00 0.00 174.94 174.33 1c20 n THR 92 N 5.18 2.87 -1.86 4.00 -2.24 -1.26 -3.20 114.28 117.76 1c20 n THR 92 Ca 0.03 -1.83 0.00 0.00 -2.27 0.00 0.00 64.05 59.98 1c20 n THR 92 Cb 0.50 -1.36 0.00 0.00 -2.10 0.00 0.00 70.33 67.38 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 0.35 0.00 -0.11 3.42 3.41 -1.26 -4.94 113.62 114.50 1c20 n SER 93 Ca 0.33 -0.88 -0.01 0.00 -0.26 0.00 0.00 58.87 58.06 1c20 n SER 93 Cb 0.58 0.00 0.26 0.00 -0.26 0.00 0.00 64.21 64.79 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 0.00 1.37 -0.75 7.33 0.00 -1.98 -2.58 119.26 122.65 1c20 h ALA 94 Ca 0.00 -0.14 0.15 0.00 0.00 0.00 0.00 54.91 54.92 1c20 h ALA 94 Cb 0.88 -0.22 -0.14 0.00 0.00 0.00 0.00 17.79 18.31 1c20 h ALA 94 CO 0.00 0.47 -0.19 0.00 0.00 0.00 0.00 179.25 179.53 1c20 h ALA 95 N 1.47 0.49 -0.97 0.00 0.00 -1.92 1.05 119.26 119.40 1c20 h ALA 95 Ca 0.18 0.29 0.01 0.00 0.00 0.00 0.00 54.91 55.39 1c20 h ALA 95 Cb 0.16 0.58 -0.05 0.00 0.00 0.00 0.00 17.79 18.48 1c20 h ALA 95 CO -0.02 -0.41 0.64 0.35 0.00 0.00 0.00 179.25 179.81 1c20 h PHE 96 N -0.00 1.21 -0.65 0.00 3.57 -1.87 -2.26 116.94 116.94 1c20 h PHE 96 Ca 0.36 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.80 1c20 h PHE 96 Cb 0.55 -0.41 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 1c20 h PHE 96 CO -0.60 0.76 0.05 1.15 -2.23 0.00 0.00 178.31 177.44 1c20 h THR 97 N 1.31 1.27 0.03 4.41 2.02 0.96 -2.71 112.91 120.20 1c20 h THR 97 Ca 0.36 -1.11 -0.00 0.00 0.77 0.00 0.00 66.41 66.43 1c20 h THR 97 Cb -0.15 0.71 0.00 0.00 -1.74 0.00 0.00 68.15 66.97 1c20 h THR 97 CO -0.08 0.41 -0.02 -0.07 0.37 0.00 0.00 175.52 176.14 1c20 h LEU 98 N 1.02 -0.04 -0.99 2.58 3.38 0.34 -0.31 115.31 121.29 1c20 h LEU 98 Ca 0.19 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1c20 h LEU 98 Cb 0.51 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.22 1c20 h LEU 98 CO 0.02 0.14 0.63 0.08 0.09 0.00 0.00 178.44 179.41 1c20 h ARG 99 N -0.21 1.31 0.08 1.13 0.11 -1.43 -1.54 114.38 113.83 1c20 h ARG 99 Ca -0.00 -0.09 -0.16 0.00 0.10 0.00 0.00 59.98 59.82 1c20 h ARG 99 Cb 0.20 -0.29 0.02 0.00 1.11 0.00 0.00 29.97 31.00 1c20 h ARG 99 CO 0.01 0.89 -0.66 0.00 0.10 0.00 0.00 179.97 180.30 1c20 h THR 100 N 1.35 1.50 -0.44 0.08 1.03 -1.40 -2.77 112.91 112.25 1c20 h THR 100 Ca 0.36 -2.33 -0.03 0.00 -0.01 0.00 0.00 66.41 64.39 1c20 h THR 100 Cb -0.12 2.98 -0.02 0.00 -1.07 0.00 0.00 68.15 69.92 1c20 h THR 100 CO -0.07 0.66 0.14 1.56 -0.01 0.00 0.00 175.52 177.80 1c20 h GLN 101 N -0.32 0.68 -0.90 0.00 1.08 -1.02 -0.70 115.11 113.93 1c20 h GLN 101 Ca -0.10 -0.15 0.01 0.00 -1.45 0.00 0.00 58.65 56.96 1c20 h GLN 101 Cb 1.46 -0.10 -0.05 0.00 -0.05 0.00 0.00 27.48 28.74 1c20 h GLN 101 CO 0.13 0.66 0.59 -0.92 -0.95 0.00 0.00 178.83 178.34 1c20 h TYR 102 N 0.57 1.12 -0.64 2.96 5.03 -1.40 -1.59 116.97 123.02 1c20 h TYR 102 Ca 0.14 0.03 -0.04 0.00 2.58 0.00 0.00 58.73 61.44 1c20 h TYR 102 Cb 0.26 -0.38 -0.03 0.00 1.55 0.00 0.00 36.73 38.13 1c20 h TYR 102 CO 0.01 0.70 0.26 1.98 -1.32 0.00 0.00 178.16 179.79 1c20 h MET 103 N 1.21 0.94 -1.01 1.82 4.05 -1.13 0.73 114.93 121.54 1c20 h MET 103 Ca 0.33 -0.15 0.01 0.00 -0.28 0.00 0.00 59.70 59.61 1c20 h MET 103 Cb -0.13 -0.16 -0.05 0.00 -0.80 0.00 0.00 31.60 30.46 1c20 h MET 103 CO -0.08 0.77 0.67 -0.22 0.23 0.00 0.00 176.91 178.28 1c20 h LYS 104 N 0.93 1.33 0.00 0.39 3.64 -0.10 -3.35 116.57 119.40 1c20 h LYS 104 Ca 0.22 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1c20 h LYS 104 Cb 0.18 -0.30 0.00 0.00 -0.41 0.00 0.00 32.23 31.70 1c20 h LYS 104 CO -0.02 0.88 -0.15 0.66 -2.27 0.00 0.00 179.45 178.55 1c20 n TYR 105 N -4.38 0.00 0.31 1.91 4.01 -1.15 -4.88 117.16 112.98 1c20 n TYR 105 Ca 0.12 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.95 1c20 n TYR 105 Cb 0.01 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 38.92 1c20 n TYR 105 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1c20 n LEU 106 N -0.40 0.31 -0.01 7.72 4.77 0.24 -4.20 117.00 125.43 1c20 n LEU 106 Ca 0.00 -0.19 -0.08 0.00 -0.03 0.00 0.00 56.01 55.71 1c20 n LEU 106 Cb 0.00 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.18 1c20 n LEU 106 CO 0.00 0.08 0.58 0.22 -1.33 0.00 0.00 177.39 176.93 1c20 h TYR 107 N 0.00 0.70 -0.14 -1.77 5.03 -1.31 -1.83 116.97 117.65 1c20 h TYR 107 Ca 0.00 -0.21 -0.21 0.00 2.58 0.00 0.00 58.73 60.89 1c20 h TYR 107 Cb 0.66 -0.15 0.01 0.00 1.55 0.00 0.00 36.73 38.80 1c20 h TYR 107 CO 0.00 0.91 -0.77 -1.00 -1.32 0.00 0.00 178.16 175.99 1c20 h PRO 108 N 0.48 0.69 -0.25 1.82 0.14 -1.83 -2.99 132.00 130.07 1c20 h PRO 108 Ca 0.04 -0.57 -0.04 0.00 0.14 0.00 0.00 66.00 65.57 1c20 h PRO 108 Cb 0.93 0.12 -0.01 0.00 0.14 0.00 0.00 31.00 32.18 1c20 h PRO 108 CO 0.08 1.18 0.01 -0.92 0.14 0.00 0.00 178.00 178.49 1c20 h TYR 109 N 0.47 0.48 -0.29 1.56 3.20 -1.71 -2.57 116.97 118.11 1c20 h TYR 109 Ca -0.05 -0.08 0.04 0.00 3.14 0.00 0.00 58.73 61.79 1c20 h TYR 109 Cb 1.38 -0.13 -0.04 0.00 1.54 0.00 0.00 36.73 39.48 1c20 h TYR 109 CO 0.08 0.59 0.05 1.49 -1.64 0.00 0.00 178.16 178.73 1c20 h GLU 110 N 0.23 0.15 -1.01 1.82 4.81 -1.39 -2.39 114.58 116.81 1c20 h GLU 110 Ca 0.07 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.30 1c20 h GLU 110 Cb 0.40 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.69 1c20 h GLU 110 CO 0.01 0.10 0.66 0.00 -0.73 0.00 0.00 179.01 179.05 1c20 h GLU 112 N 1.36 -0.11 -0.27 0.00 4.81 -1.02 2.35 114.58 121.70 1c20 h GLU 112 Ca 0.37 0.01 -0.19 0.00 -0.13 0.00 0.00 59.36 59.42 1c20 h GLU 112 Cb -0.16 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.25 1c20 h GLU 112 CO -0.08 0.09 -0.58 0.87 -0.73 0.00 0.00 179.01 178.59 1c20 h LYS 113 N -0.30 0.87 0.00 1.92 1.79 -1.37 -3.38 116.57 116.10 1c20 h LYS 113 Ca -0.01 -0.57 -0.17 0.00 -2.18 0.00 0.00 60.65 57.72 1c20 h LYS 113 Cb 0.25 0.08 -0.03 0.00 -1.58 0.00 0.00 32.23 30.95 1c20 h LYS 113 CO 0.02 1.20 -1.63 1.63 -1.08 0.00 0.00 179.45 179.59 1c20 n LYS 114 N -4.01 2.48 -3.71 3.15 4.01 -0.18 -5.02 118.16 114.89 1c20 n LYS 114 Ca -0.05 -0.00 -0.21 0.00 -0.51 0.00 0.00 58.31 57.53 1c20 n LYS 114 Cb 0.64 -1.24 0.03 0.00 -0.51 0.00 0.00 35.03 33.96 1c20 n LYS 114 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 1c20 n ASN 115 N -2.34 -1.17 -0.35 4.39 5.15 0.79 -4.85 115.26 116.88 1c20 n ASN 115 Ca -0.15 -0.83 -0.03 0.00 -0.60 0.00 0.00 54.58 52.97 1c20 n ASN 115 Cb 0.80 -4.01 0.10 0.00 -0.53 0.00 0.00 39.78 36.14 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 -1.86 1.12 0.00 1.20 3.38 -1.81 -3.47 115.31 113.86 1c20 h LEU 116 Ca -0.61 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.30 1c20 h LEU 116 Cb 1.36 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1c20 h LEU 116 CO 0.56 0.85 0.00 -1.54 0.09 0.00 0.00 178.44 178.40 1c20 n SER 117 N -4.38 0.00 -4.25 -0.43 3.41 -1.26 -5.10 113.62 101.61 1c20 n SER 117 Ca 0.11 -0.99 -0.21 0.00 -0.26 0.00 0.00 58.87 57.52 1c20 n SER 117 Cb 0.05 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 63.88 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 -2.69 1.47 0.64 6.66 -4.23 -1.26 -5.00 115.64 111.22 1c20 s THR 118 Ca 0.00 -1.55 0.23 0.00 -1.18 0.00 0.00 61.69 59.19 1c20 s THR 118 Cb 0.00 -1.44 0.27 0.00 1.34 0.00 0.00 72.50 72.67 1c20 s THR 118 CO 0.00 -0.21 1.66 -0.65 -0.54 0.00 0.00 174.62 174.88 1c20 h PRO 119 N 3.93 0.00 0.38 3.99 0.10 -2.02 -0.82 132.00 137.55 1c20 h PRO 119 Ca -0.43 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 32.29 1c20 h PRO 119 CO 0.43 0.00 -0.18 0.00 0.10 0.00 0.00 178.00 178.35 1c20 h ALA 120 N 1.01 -0.51 0.00 -0.75 0.00 -2.01 -2.92 119.26 114.08 1c20 h ALA 120 Ca 0.10 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1c20 h ALA 120 Cb 1.30 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 19.28 1c20 h ALA 120 CO -0.00 -0.54 -0.06 1.05 0.00 0.00 0.00 179.25 179.70 1c20 h GLU 121 N -0.99 0.00 -0.41 0.00 4.11 -1.69 -2.63 114.58 112.97 1c20 h GLU 121 Ca -0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.38 1c20 h GLU 121 Cb 0.53 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 1c20 h GLU 121 CO 0.08 0.06 0.27 1.25 0.07 0.00 0.00 179.01 180.75 1c20 h LEU 122 N 0.00 0.47 -1.02 3.06 5.85 -1.13 -0.58 115.31 121.96 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 0.52 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.39 1c20 h LEU 122 CO 0.01 0.34 0.65 -0.61 -0.34 0.00 0.00 178.44 178.49 1c20 h GLN 123 N 0.56 1.31 -0.83 1.25 5.75 -1.27 0.47 115.11 122.34 1c20 h GLN 123 Ca 0.15 -0.08 0.02 0.00 -0.15 0.00 0.00 58.65 58.59 1c20 h GLN 123 Cb -0.06 -0.29 -0.04 0.00 1.07 0.00 0.00 27.48 28.15 1c20 h GLN 123 CO -0.03 0.87 0.55 0.00 -2.65 0.00 0.00 178.83 177.57 1c20 h ALA 124 N 1.37 1.45 -0.32 3.38 0.00 -1.22 1.21 119.26 125.13 1c20 h ALA 124 Ca 0.36 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.18 1c20 h ALA 124 Cb -0.15 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.32 1c20 h ALA 124 CO -0.08 0.48 0.03 0.00 0.00 0.00 0.00 179.25 179.69 1c20 h ALA 125 N 1.50 0.43 -0.33 0.00 0.00 0.51 -0.67 119.26 120.70 1c20 h ALA 125 Ca 0.32 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 54.87 1c20 h ALA 125 Cb -0.04 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1c20 h ALA 125 CO -0.08 0.15 -0.37 0.82 0.00 0.00 0.00 179.25 179.77 1c20 h ILE 126 N 0.36 1.28 -0.96 0.00 2.04 -0.02 -3.08 117.51 117.14 1c20 h ILE 126 Ca 0.10 -1.54 -0.00 0.00 1.00 0.00 0.00 64.86 64.41 1c20 h ILE 126 Cb 0.38 1.50 -0.05 0.00 -0.74 0.00 0.00 36.82 37.92 1c20 h ILE 126 CO 0.01 0.50 0.59 -0.78 0.00 0.00 0.00 178.15 178.48 1c20 h ASP 127 N 0.62 1.14 -0.93 1.72 1.82 0.16 -2.27 116.42 118.68 1c20 h ASP 127 Ca 0.05 -0.06 0.02 0.00 -0.39 0.00 0.00 57.03 56.65 1c20 h ASP 127 Cb 0.95 -0.29 -0.05 0.00 0.68 0.00 0.00 39.33 40.63 1c20 h ASP 127 CO 0.09 0.87 0.61 1.23 -1.61 0.00 0.00 179.24 180.43 1c20 h GLY 128 N 1.32 1.33 -7.39 -0.78 0.00 -1.04 -3.33 103.07 93.18 1c20 h GLY 128 Ca 0.35 -0.48 -0.71 0.00 0.00 0.00 0.00 47.33 46.49 1c20 h GLY 128 CO -0.07 0.44 -0.47 -1.31 0.00 0.00 0.00 176.54 175.14 1c20 s ASN 129 N -6.01 5.48 0.00 0.19 -0.87 -0.85 -5.12 114.94 107.76 1c20 s ASN 129 Ca -0.13 -1.97 0.22 0.00 -1.57 0.00 0.00 52.86 49.41 1c20 s ASN 129 Cb 0.17 -1.92 1.33 0.00 -0.02 0.00 0.00 41.25 40.81 1c20 s ASN 129 CO 0.81 -0.62 1.70 -2.11 -2.57 0.00 0.00 177.10 174.31