#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 3.70 0.08 1.61 -0.00 -1.26 -5.04 118.94 118.03 1c20 s TRP 4 Ca 0.00 1.70 0.01 0.00 -0.00 0.00 0.00 56.10 57.81 1c20 s TRP 4 Cb 0.00 -3.18 -0.04 0.00 -0.00 0.00 0.00 33.47 30.25 1c20 s TRP 4 CO 0.00 -0.24 -0.06 -1.54 -0.00 0.00 0.00 176.95 175.11 1c20 s SER 5 N -0.27 0.92 0.19 5.86 1.04 -1.26 -5.05 113.70 115.12 1c20 s SER 5 Ca 0.47 -0.97 -0.09 0.00 0.48 0.00 0.00 55.95 55.85 1c20 s SER 5 Cb -0.27 0.12 0.09 0.00 0.10 0.00 0.00 66.02 66.05 1c20 s SER 5 CO 0.33 -0.49 1.67 2.19 0.98 0.00 0.00 173.24 177.93 1c20 h PHE 6 N 3.14 1.19 0.00 5.02 -0.00 -2.00 -2.49 116.94 121.80 1c20 h PHE 6 Ca -0.35 -0.18 -0.02 0.00 -0.00 0.00 0.00 57.97 57.42 1c20 h PHE 6 Cb 1.16 -0.32 -0.00 0.00 -0.00 0.00 0.00 35.95 36.79 1c20 h PHE 6 CO 0.58 1.01 -0.08 1.05 -0.00 0.00 0.00 178.31 180.87 1c20 h GLU 7 N 1.02 0.00 -0.30 6.09 9.09 -2.00 -2.87 114.58 125.61 1c20 h GLU 7 Ca 0.19 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 59.56 1c20 h GLU 7 Cb 0.49 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.58 1c20 h GLU 7 CO 0.02 0.08 0.02 1.49 0.05 0.00 0.00 179.01 180.67 1c20 h GLU 8 N 0.00 0.52 0.00 1.06 4.57 -1.86 -2.39 114.58 116.49 1c20 h GLU 8 Ca -0.00 -0.16 -0.00 0.00 -1.18 0.00 0.00 59.36 58.02 1c20 h GLU 8 Cb 0.42 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 28.95 1c20 h GLU 8 CO 0.01 0.65 -0.01 1.96 -1.18 0.00 0.00 179.01 180.44 1c20 h GLN 9 N 0.33 0.00 0.36 1.92 7.50 -1.54 -3.11 115.11 120.56 1c20 h GLN 9 Ca 0.09 0.00 -0.02 0.00 0.50 0.00 0.00 58.65 59.22 1c20 h GLN 9 Cb 0.40 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.94 1c20 h GLN 9 CO 0.01 0.01 -0.17 0.35 -1.50 0.00 0.00 178.83 177.53 1c20 h PHE 10 N 0.00 -0.44 -0.17 2.96 3.04 -1.24 -2.87 116.94 118.21 1c20 h PHE 10 Ca -0.00 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.94 1c20 h PHE 10 Cb 0.59 0.15 -0.01 0.00 2.56 0.00 0.00 35.95 39.24 1c20 h PHE 10 CO 0.00 -0.12 0.11 1.57 -2.02 0.00 0.00 178.31 177.85 1c20 h LYS 11 N -0.80 0.23 -0.95 1.11 2.10 -1.50 -0.92 116.57 115.83 1c20 h LYS 11 Ca -0.05 -0.01 0.01 0.00 -2.00 0.00 0.00 60.65 58.59 1c20 h LYS 11 Cb 0.52 -0.05 -0.05 0.00 -0.90 0.00 0.00 32.23 31.75 1c20 h LYS 11 CO 0.08 0.15 0.63 1.96 -2.00 0.00 0.00 179.45 180.27 1c20 h GLN 12 N 0.24 1.26 -0.77 0.07 4.20 -1.46 -0.37 115.11 118.28 1c20 h GLN 12 Ca 0.06 -0.08 0.01 0.00 0.06 0.00 0.00 58.65 58.70 1c20 h GLN 12 Cb -0.02 -0.28 -0.04 0.00 0.30 0.00 0.00 27.48 27.44 1c20 h GLN 12 CO -0.01 0.84 0.51 0.28 -0.67 0.00 0.00 178.83 179.78 1c20 h VAL 13 N 1.30 1.20 -1.01 -0.54 2.07 -0.95 -1.58 116.25 116.74 1c20 h VAL 13 Ca 0.35 -0.36 0.07 0.00 0.82 0.00 0.00 66.70 67.58 1c20 h VAL 13 Cb -0.14 0.06 -0.07 0.00 -1.52 0.00 0.00 31.29 29.62 1c20 h VAL 13 CO -0.07 0.19 0.65 -0.09 0.02 0.00 0.00 177.57 178.27 1c20 h ARG 14 N 1.04 1.14 0.00 1.57 9.65 -0.94 0.19 114.38 127.03 1c20 h ARG 14 Ca 0.28 -0.07 -0.03 0.00 -1.10 0.00 0.00 59.98 59.06 1c20 h ARG 14 Cb -0.12 -0.26 -0.00 0.00 -1.39 0.00 0.00 29.97 28.20 1c20 h ARG 14 CO -0.06 0.75 -0.16 -0.56 2.80 0.00 0.00 179.97 182.74 1c20 h GLN 15 N 1.18 0.00 -0.20 0.20 3.07 -1.10 -2.38 115.11 115.88 1c20 h GLN 15 Ca 0.44 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 59.17 1c20 h GLN 15 Cb 0.17 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.72 1c20 h GLN 15 CO -0.18 0.16 0.11 -0.07 0.09 0.00 0.00 178.83 178.94 1c20 h LEU 16 N 0.00 0.26 -1.01 0.06 4.07 -0.85 -1.92 115.31 115.92 1c20 h LEU 16 Ca -0.00 -0.10 0.01 0.00 0.08 0.00 0.00 57.88 57.87 1c20 h LEU 16 Cb 0.29 -0.07 -0.05 0.00 1.08 0.00 0.00 40.66 41.92 1c20 h LEU 16 CO 0.02 0.28 0.67 1.88 -1.08 0.00 0.00 178.44 180.21 1c20 h TYR 17 N 0.21 1.26 0.00 1.13 -1.99 -1.35 -0.64 116.97 115.60 1c20 h TYR 17 Ca 0.07 0.03 -0.00 0.00 2.00 0.00 0.00 58.73 60.83 1c20 h TYR 17 Cb 0.09 -0.43 -0.00 0.00 2.00 0.00 0.00 36.73 38.39 1c20 h TYR 17 CO -0.03 0.79 -0.01 0.93 -0.00 0.00 0.00 178.16 179.84 1c20 h GLU 18 N 1.36 0.00 -1.00 4.88 5.08 -0.89 -2.56 114.58 121.44 1c20 h GLU 18 Ca 0.37 0.00 0.17 0.00 -1.00 0.00 0.00 59.36 58.90 1c20 h GLU 18 Cb -0.15 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.00 1c20 h GLU 18 CO -0.08 0.01 0.61 0.82 -1.00 0.00 0.00 179.01 179.37 1c20 h ILE 19 N 0.00 0.76 -1.57 3.13 2.04 -0.37 -3.44 117.51 118.06 1c20 h ILE 19 Ca -0.00 -0.28 0.16 0.00 1.00 0.00 0.00 64.86 65.74 1c20 h ILE 19 Cb 0.09 -0.13 -0.21 0.00 -0.74 0.00 0.00 36.82 35.82 1c20 h ILE 19 CO 0.00 0.15 0.68 0.54 0.00 0.00 0.00 178.15 179.52 1c20 s ASN 20 N -5.48 -0.25 -0.25 1.72 6.03 -0.96 -5.00 114.94 110.74 1c20 s ASN 20 Ca -0.11 0.17 0.03 0.00 -1.03 0.00 0.00 52.86 51.91 1c20 s ASN 20 Cb 0.24 0.23 0.40 0.00 -3.03 0.00 0.00 41.25 39.09 1c20 s ASN 20 CO 0.80 -0.30 1.51 -0.90 -2.03 0.00 0.00 177.10 176.18 1c20 n ASP 21 N 0.33 3.47 -4.69 3.54 5.75 -1.26 -4.79 116.55 118.89 1c20 n ASP 21 Ca -0.05 -2.91 -0.45 0.00 -0.01 0.00 0.00 54.79 51.37 1c20 n ASP 21 Cb 0.59 -0.69 -0.04 0.00 -1.03 0.00 0.00 41.12 39.95 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 -0.39 3.48 -0.12 -1.12 2.03 -1.26 -4.87 116.55 114.30 1c20 n ASP 22 Ca 0.33 1.06 -0.06 0.00 0.52 0.00 0.00 54.79 56.64 1c20 n ASP 22 Cb 1.16 -1.48 0.02 0.00 -0.72 0.00 0.00 41.12 40.10 1c20 n ASP 22 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1c20 h PRO 23 N 6.72 0.37 -0.28 -0.67 0.13 -1.98 -0.49 132.00 135.79 1c20 h PRO 23 Ca -0.45 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.64 1c20 h PRO 23 Cb 1.24 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 1c20 h PRO 23 CO 0.92 0.24 0.09 1.57 -0.23 0.00 0.00 178.00 180.59 1c20 h LYS 24 N 0.38 0.44 -0.33 0.86 2.10 -1.98 0.30 116.57 118.34 1c20 h LYS 24 Ca 0.17 -0.09 -0.06 0.00 -2.00 0.00 0.00 60.65 58.67 1c20 h LYS 24 Cb 0.09 -0.06 -0.01 0.00 -0.90 0.00 0.00 32.23 31.35 1c20 h LYS 24 CO -0.13 0.49 -0.04 -0.09 -2.00 0.00 0.00 179.45 177.68 1c20 h ARG 25 N 0.30 0.62 -0.03 0.07 2.43 -1.93 0.77 114.38 116.61 1c20 h ARG 25 Ca 0.09 -0.22 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 1c20 h ARG 25 Cb 0.23 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.74 1c20 h ARG 25 CO -0.00 0.76 0.02 -0.22 -1.51 0.00 0.00 179.97 179.02 1c20 h LYS 26 N 0.41 0.04 -0.62 0.20 3.64 -0.98 0.01 116.57 119.26 1c20 h LYS 26 Ca 0.09 -0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.38 1c20 h LYS 26 Cb 0.51 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 1c20 h LYS 26 CO 0.02 0.03 0.06 0.93 -2.27 0.00 0.00 179.45 178.22 1c20 h GLU 27 N 0.04 1.05 0.02 1.90 5.08 -0.25 -1.50 114.58 120.91 1c20 h GLU 27 Ca 0.01 -0.31 -0.00 0.00 -1.00 0.00 0.00 59.36 58.06 1c20 h GLU 27 Cb -0.00 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.14 1c20 h GLU 27 CO -0.00 1.00 -0.01 0.35 -1.00 0.00 0.00 179.01 179.35 1c20 h PHE 28 N 0.96 -0.02 -0.72 4.33 3.04 0.95 0.15 116.94 125.63 1c20 h PHE 28 Ca 0.18 -0.00 0.01 0.00 3.98 0.00 0.00 57.97 62.14 1c20 h PHE 28 Cb 0.49 0.01 -0.04 0.00 2.56 0.00 0.00 35.95 38.97 1c20 h PHE 28 CO 0.04 -0.01 0.48 -0.07 -2.02 0.00 0.00 178.31 176.72 1c20 h LEU 29 N -0.02 0.83 -1.00 0.59 3.38 -0.90 0.29 115.31 118.46 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 0.02 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.51 1c20 h LEU 29 CO 0.00 0.60 0.67 0.44 0.09 0.00 0.00 178.44 180.24 1c20 h ASP 30 N 0.97 1.15 0.05 -0.43 3.32 -0.79 -0.57 116.42 120.13 1c20 h ASP 30 Ca 0.26 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.28 1c20 h ASP 30 Cb -0.11 -0.29 0.00 0.00 0.22 0.00 0.00 39.33 39.15 1c20 h ASP 30 CO -0.06 0.83 -0.02 0.44 -1.72 0.00 0.00 179.24 178.71 1c20 h ASP 31 N 1.36 -0.06 0.44 6.45 3.32 0.50 -1.48 116.42 126.95 1c20 h ASP 31 Ca 0.37 -0.55 -0.02 0.00 0.02 0.00 0.00 57.03 56.85 1c20 h ASP 31 Cb -0.15 0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.42 1c20 h ASP 31 CO -0.08 0.56 -0.21 0.25 -1.72 0.00 0.00 179.24 178.03 1c20 h LEU 32 N -0.71 -0.50 -1.64 1.55 5.85 -0.38 -1.11 115.31 118.36 1c20 h LEU 32 Ca -0.01 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1c20 h LEU 32 Cb 0.61 0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.75 1c20 h LEU 32 CO 0.01 -0.35 0.24 -0.26 -0.34 0.00 0.00 178.44 177.74 1c20 h PHE 33 N -0.59 0.46 -0.32 1.25 -1.00 -1.23 -1.87 116.94 113.65 1c20 h PHE 33 Ca -0.06 0.01 -0.01 0.00 2.81 0.00 0.00 57.97 60.72 1c20 h PHE 33 Cb 0.45 -0.15 -0.01 0.00 3.61 0.00 0.00 35.95 39.84 1c20 h PHE 33 CO -0.05 0.29 0.17 0.77 -1.61 0.00 0.00 178.31 177.88 1c20 h SER 34 N 0.49 0.39 0.83 2.17 0.02 -0.60 -0.05 113.55 116.81 1c20 h SER 34 Ca 0.13 -0.09 -0.04 0.00 -0.84 0.00 0.00 61.79 60.96 1c20 h SER 34 Cb -0.05 -0.10 0.01 0.00 0.14 0.00 0.00 62.40 62.40 1c20 h SER 34 CO -0.03 0.37 -0.40 0.15 -1.14 0.00 0.00 176.83 175.78 1c20 h PHE 35 N 0.39 -1.04 0.00 3.45 3.04 -0.40 -1.98 116.94 120.40 1c20 h PHE 35 Ca 0.11 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.04 1c20 h PHE 35 Cb 0.06 0.34 0.00 0.00 2.56 0.00 0.00 35.95 38.91 1c20 h PHE 35 CO -0.03 -0.65 0.00 0.00 -2.02 0.00 0.00 178.31 175.61 1c20 n MET 36 N -5.57 0.10 0.11 1.11 0.00 -1.02 -2.49 117.12 109.36 1c20 n MET 36 Ca -0.15 0.48 0.05 0.00 0.00 0.00 0.00 57.70 58.08 1c20 n MET 36 Cb 0.45 -1.75 0.27 0.00 0.00 0.00 0.00 33.22 32.19 1c20 n MET 36 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 175.97 176.91 1c20 n GLN 37 N -1.95 0.07 -0.09 3.17 -0.06 -0.04 -1.62 117.38 116.86 1c20 n GLN 37 Ca 0.01 0.50 -0.06 0.00 -2.00 0.00 0.00 57.00 55.45 1c20 n GLN 37 Cb 0.10 -1.93 0.00 0.00 -4.06 0.00 0.00 30.24 24.35 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 0.02 -0.27 3.69 3.64 -1.65 0.19 116.57 122.18 1c20 h LYS 38 Ca 0.00 -0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.26 1c20 h LYS 38 Cb 0.43 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 1c20 h LYS 38 CO 0.00 0.01 -0.31 0.00 -2.27 0.00 0.00 179.45 176.88 1c20 h ARG 39 N 0.02 0.56 0.00 1.90 3.08 -1.61 -3.47 114.38 114.87 1c20 h ARG 39 Ca 0.16 -0.24 0.00 0.00 0.07 0.00 0.00 59.98 59.97 1c20 h ARG 39 Cb 0.24 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.28 1c20 h ARG 39 CO -0.33 0.81 0.00 0.41 -1.07 0.00 0.00 179.97 179.79 1c20 n GLY 40 N -0.20 0.32 3.64 0.04 0.00 0.65 -5.09 105.19 104.56 1c20 n GLY 40 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.00 3.69 0.00 2.61 -4.23 -1.26 -4.99 115.64 109.46 1c20 s THR 41 Ca 0.00 -1.17 0.00 0.00 -1.18 0.00 0.00 61.69 59.34 1c20 s THR 41 Cb 0.00 -2.76 0.00 0.00 1.34 0.00 0.00 72.50 71.08 1c20 s THR 41 CO 0.00 0.08 0.00 -0.81 -0.54 0.00 0.00 174.62 173.35 1c20 n PRO 42 N 0.53 2.10 0.00 3.99 -0.04 -1.26 -4.77 135.00 135.54 1c20 n PRO 42 Ca -0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 1c20 n PRO 42 Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 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 -0.22 0.00 0.00 0.52 0.13 -1.26 -5.05 119.36 113.48 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 -1.09 0.00 0.00 -0.84 0.00 0.00 39.64 37.71 1c20 n ILE 43 CO 0.00 0.00 0.00 0.59 2.80 0.00 0.00 176.55 179.94 1c20 n ASN 44 N 0.00 0.00 -4.22 9.51 3.02 -1.26 -5.02 115.26 117.29 1c20 n ASN 44 Ca 0.00 0.00 -0.27 0.00 -0.03 0.00 0.00 54.58 54.28 1c20 n ASN 44 Cb 0.00 0.00 -0.15 0.00 -0.61 0.00 0.00 39.78 39.02 1c20 n ASN 44 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1c20 s ARG 45 N 0.00 1.59 -0.54 3.52 1.81 -1.26 -4.94 118.95 119.13 1c20 s ARG 45 Ca 0.00 -0.78 0.05 0.00 -1.72 0.00 0.00 55.73 53.28 1c20 s ARG 45 Cb 0.00 -1.58 0.17 0.00 -0.45 0.00 0.00 34.95 33.10 1c20 s ARG 45 CO 0.00 0.43 0.42 1.28 -0.68 0.00 0.00 175.30 176.74 1c20 n LEU 46 N 2.41 1.05 -4.47 2.53 4.77 -1.26 -5.11 117.00 116.92 1c20 n LEU 46 Ca -0.16 -4.75 -0.30 0.00 -0.03 0.00 0.00 56.01 50.78 1c20 n LEU 46 Cb 0.53 -0.01 0.25 0.00 -2.33 0.00 0.00 43.42 41.87 1c20 n LEU 46 CO 0.24 1.83 0.52 -2.84 -1.33 0.00 0.00 177.39 175.80 1c20 s PRO 47 N -0.65 -1.63 -0.16 3.23 0.02 -1.26 -4.87 135.00 129.69 1c20 s PRO 47 Ca 0.30 0.30 -0.03 0.00 0.02 0.00 0.00 61.00 61.58 1c20 s PRO 47 Cb 0.01 -1.52 -0.02 0.00 0.02 0.00 0.00 34.50 32.99 1c20 s PRO 47 CO -0.18 -4.06 -0.05 0.42 -0.33 0.00 0.00 177.00 172.80 1c20 s ILE 48 N -2.59 3.75 -0.32 2.83 -1.09 -1.26 -3.12 121.20 119.39 1c20 s ILE 48 Ca 0.69 -0.41 -0.16 0.00 -2.23 0.00 0.00 60.65 58.54 1c20 s ILE 48 Cb -0.16 -2.64 -0.02 0.00 -1.58 0.00 0.00 42.46 38.06 1c20 s ILE 48 CO 0.59 0.49 0.43 -0.04 -1.23 0.00 0.00 174.94 175.18 1c20 s MET 49 N 0.43 3.76 0.01 2.79 -1.94 0.47 -4.89 119.30 119.92 1c20 s MET 49 Ca -0.05 -0.13 0.00 0.00 -1.71 0.00 0.00 55.69 53.80 1c20 s MET 49 Cb -0.14 -3.75 0.00 0.00 2.01 0.00 0.00 34.83 32.95 1c20 s MET 49 CO 0.03 -0.48 0.00 0.00 -0.01 0.00 0.00 175.02 174.56 1c20 n ALA 50 N 5.50 0.00 -0.00 3.03 0.00 -1.26 0.20 120.51 127.98 1c20 n ALA 50 Ca -0.07 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.39 1c20 n ALA 50 Cb 0.50 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.92 1c20 n ALA 50 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1c20 n LYS 51 N 0.00 0.27 -2.88 0.00 3.00 -1.26 -5.04 118.16 112.26 1c20 n LYS 51 Ca 0.00 -0.03 -0.18 0.00 -0.00 0.00 0.00 58.31 58.09 1c20 n LYS 51 Cb 0.00 -1.09 0.02 0.00 0.00 0.00 0.00 35.03 33.96 1c20 n LYS 51 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 1c20 s SER 52 N -2.48 5.52 -0.08 3.14 0.01 0.52 -5.11 113.70 115.23 1c20 s SER 52 Ca -0.01 -0.28 0.00 0.00 1.31 0.00 0.00 55.95 56.97 1c20 s SER 52 Cb 0.02 -0.73 -0.03 0.00 0.21 0.00 0.00 66.02 65.49 1c20 s SER 52 CO 0.15 -0.90 -0.06 -0.69 0.41 0.00 0.00 173.24 172.16 1c20 s VAL 53 N -2.50 3.78 -0.49 3.43 1.01 -1.26 0.18 120.40 124.55 1c20 s VAL 53 Ca 0.56 -0.45 -0.26 0.00 0.00 0.00 0.00 61.98 61.83 1c20 s VAL 53 Cb -0.10 -2.56 -0.07 0.00 0.00 0.00 0.00 36.38 33.65 1c20 s VAL 53 CO 0.35 0.59 2.41 -0.22 0.00 0.00 0.00 175.10 178.23 1c20 s LEU 54 N -0.72 3.41 -0.38 3.92 2.96 -1.18 -4.80 118.68 121.89 1c20 s LEU 54 Ca 0.11 1.08 -0.28 0.00 -0.22 0.00 0.00 54.13 54.81 1c20 s LEU 54 Cb -0.11 -2.50 -0.01 0.00 0.50 0.00 0.00 46.19 44.07 1c20 s LEU 54 CO 0.02 -2.89 1.70 -0.62 -1.32 0.00 0.00 176.35 173.24 1c20 s ASP 55 N 12.24 5.94 0.62 3.68 -1.08 -1.26 -4.83 116.67 131.97 1c20 s ASP 55 Ca 0.98 1.06 0.32 0.00 -0.52 0.00 0.00 52.55 54.39 1c20 s ASP 55 Cb -0.17 -2.53 1.80 0.00 -1.46 0.00 0.00 42.92 40.56 1c20 s ASP 55 CO 0.26 -1.72 2.12 0.17 0.52 0.00 0.00 175.17 176.52 1c20 h LEU 56 N 13.60 0.00 -0.82 -1.34 8.10 -2.00 -1.12 115.31 131.74 1c20 h LEU 56 Ca -0.31 0.00 0.02 0.00 0.11 0.00 0.00 57.88 57.70 1c20 h LEU 56 Cb 1.15 0.00 -0.04 0.00 -0.44 0.00 0.00 40.66 41.33 1c20 h LEU 56 CO 1.07 0.00 0.54 0.22 -4.11 0.00 0.00 178.44 176.16 1c20 h TYR 57 N 0.00 1.02 -0.71 0.17 5.03 -2.00 -1.88 116.97 118.59 1c20 h TYR 57 Ca 0.06 0.02 -0.00 0.00 2.58 0.00 0.00 58.73 61.39 1c20 h TYR 57 Cb 0.43 -0.34 -0.03 0.00 1.55 0.00 0.00 36.73 38.34 1c20 h TYR 57 CO 0.00 0.62 0.43 1.49 -1.32 0.00 0.00 178.16 179.37 1c20 h GLU 58 N 1.08 0.97 -0.53 1.82 4.81 -1.59 -1.87 114.58 119.26 1c20 h GLU 58 Ca 0.31 -0.08 0.01 0.00 -0.13 0.00 0.00 59.36 59.47 1c20 h GLU 58 Cb -0.07 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.07 1c20 h GLU 58 CO -0.09 0.68 0.34 1.25 -0.73 0.00 0.00 179.01 180.46 1c20 h LEU 59 N 0.98 0.56 -0.29 1.64 5.85 -1.42 -1.98 115.31 120.66 1c20 h LEU 59 Ca 0.26 -0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.87 1c20 h LEU 59 Cb -0.04 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 1c20 h LEU 59 CO -0.05 0.40 -0.20 0.22 -0.34 0.00 0.00 178.44 178.48 1c20 h TYR 60 N 0.68 0.76 -0.54 1.25 3.20 -1.27 -2.77 116.97 118.28 1c20 h TYR 60 Ca 0.20 -0.21 0.01 0.00 3.14 0.00 0.00 58.73 61.87 1c20 h TYR 60 Cb -0.03 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.04 1c20 h TYR 60 CO -0.05 0.91 0.36 -2.95 -1.64 0.00 0.00 178.16 174.79 1c20 h ASN 61 N 0.39 0.62 -0.91 -2.11 -1.07 -1.15 -2.28 115.58 109.07 1c20 h ASN 61 Ca 0.06 -0.02 0.00 0.00 0.07 0.00 0.00 56.30 56.42 1c20 h ASN 61 Cb 0.74 -0.15 -0.04 0.00 -2.07 0.00 0.00 38.32 36.79 1c20 h ASN 61 CO 0.05 0.45 0.58 -0.07 0.07 0.00 0.00 177.43 178.51 1c20 h LEU 62 N 0.73 1.06 0.34 6.14 3.38 -1.36 -0.68 115.31 124.92 1c20 h LEU 62 Ca 0.20 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 1c20 h LEU 62 Cb -0.08 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.40 1c20 h LEU 62 CO -0.04 0.79 -0.16 0.58 0.09 0.00 0.00 178.44 179.69 1c20 h VAL 63 N 1.24 0.67 -0.85 1.22 2.07 -1.13 -2.66 116.25 116.80 1c20 h VAL 63 Ca 0.33 -0.03 -0.03 0.00 0.82 0.00 0.00 66.70 67.79 1c20 h VAL 63 Cb -0.11 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 30.31 1c20 h VAL 63 CO -0.07 0.01 0.40 0.40 0.02 0.00 0.00 177.57 178.33 1c20 h ILE 64 N -0.48 1.26 0.00 4.57 1.08 -1.30 0.15 117.51 122.79 1c20 h ILE 64 Ca -0.05 -0.75 0.00 0.00 -0.39 0.00 0.00 64.86 63.68 1c20 h ILE 64 Cb 0.36 0.18 0.00 0.00 -3.07 0.00 0.00 36.82 34.29 1c20 h ILE 64 CO 0.08 0.32 0.28 0.00 -0.69 0.00 0.00 178.15 178.14 1c20 h ALA 65 N 1.22 1.24 -0.02 1.87 0.00 -0.79 1.20 119.26 123.98 1c20 h ALA 65 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1c20 h ALA 65 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1c20 h ALA 65 CO -0.04 -0.24 -0.05 0.54 0.00 0.00 0.00 179.25 179.46 1c20 n ARG 66 N -2.51 1.93 -0.00 0.00 5.12 0.03 -4.93 116.66 116.30 1c20 n ARG 66 Ca -0.02 -1.44 0.00 0.00 -1.93 0.00 0.00 57.85 54.46 1c20 n ARG 66 Cb 0.32 -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 1.29 0.14 0.00 -0.13 0.00 0.41 -4.74 105.19 102.17 1c20 n GLY 67 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1c20 n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1c20 n GLY 68 N -2.00 4.73 0.31 -0.02 0.00 -1.17 -4.82 105.19 102.22 1c20 n GLY 68 Ca 0.00 -1.04 -0.04 0.00 0.00 0.00 0.00 46.02 44.94 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 0.94 -0.86 0.99 5.85 -1.94 -1.28 115.31 119.02 1c20 h LEU 69 Ca 0.00 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.70 1c20 h LEU 69 Cb 0.00 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.75 1c20 h LEU 69 CO 0.00 0.68 0.57 0.58 -0.34 0.00 0.00 178.44 179.93 1c20 h VAL 70 N 1.10 1.22 -0.72 1.05 2.07 -1.97 0.94 116.25 119.95 1c20 h VAL 70 Ca 0.30 -0.40 -0.07 0.00 0.82 0.00 0.00 66.70 67.35 1c20 h VAL 70 Cb -0.12 -0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 29.58 1c20 h VAL 70 CO -0.06 0.21 0.18 0.44 0.02 0.00 0.00 177.57 178.36 1c20 h ASP 71 N 1.16 1.08 0.00 0.57 3.32 -1.73 -1.82 116.42 119.00 1c20 h ASP 71 Ca 0.31 -0.23 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 1c20 h ASP 71 Cb -0.13 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.13 1c20 h ASP 71 CO -0.07 1.03 -0.00 0.58 -1.72 0.00 0.00 179.24 179.06 1c20 h VAL 72 N 1.08 1.08 0.24 -1.35 2.07 -0.12 -0.47 116.25 118.80 1c20 h VAL 72 Ca 0.23 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 1c20 h VAL 72 Cb 0.36 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.38 1c20 h VAL 72 CO 0.00 0.06 -0.12 0.40 0.02 0.00 0.00 177.57 177.94 1c20 h ILE 73 N -0.11 0.79 -1.00 4.57 2.04 -0.71 0.97 117.51 124.05 1c20 h ILE 73 Ca -0.00 -0.16 0.01 0.00 1.00 0.00 0.00 64.86 65.71 1c20 h ILE 73 Cb 0.11 0.88 -0.05 0.00 -0.74 0.00 0.00 36.82 37.02 1c20 h ILE 73 CO 0.00 0.04 0.67 -1.13 0.00 0.00 0.00 178.15 177.72 1c20 h ASN 74 N -0.41 1.15 0.19 1.72 -0.73 -1.34 -1.52 115.58 114.65 1c20 h ASN 74 Ca -0.03 -0.03 0.00 0.00 1.87 0.00 0.00 56.30 58.11 1c20 h ASN 74 Cb 0.31 -0.29 0.00 0.00 0.27 0.00 0.00 38.32 38.61 1c20 h ASN 74 CO 0.06 0.84 -0.17 0.29 -0.37 0.00 0.00 177.43 178.07 1c20 n LYS 75 N -4.38 1.03 -3.80 6.67 5.02 -0.19 -4.91 118.16 117.60 1c20 n LYS 75 Ca 0.12 -0.57 -0.26 0.00 -2.02 0.00 0.00 58.31 55.58 1c20 n LYS 75 Cb 0.01 -1.49 0.03 0.00 -0.02 0.00 0.00 35.03 33.57 1c20 n LYS 75 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1c20 n LYS 76 N -0.49 -5.45 -0.05 1.97 5.02 0.32 -4.82 118.16 114.67 1c20 n LYS 76 Ca 0.14 0.62 0.01 0.00 -2.02 0.00 0.00 58.31 57.07 1c20 n LYS 76 Cb 0.34 -5.39 0.04 0.00 -0.02 0.00 0.00 35.03 30.00 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 -4.53 0.55 0.32 -0.35 4.77 -0.47 -4.01 117.00 113.28 1c20 n LEU 77 Ca -0.11 -0.28 0.12 0.00 -0.03 0.00 0.00 56.01 55.72 1c20 n LEU 77 Cb 0.59 -0.09 0.62 0.00 -2.33 0.00 0.00 43.42 42.21 1c20 n LEU 77 CO 0.72 0.13 1.10 -0.50 -1.33 0.00 0.00 177.39 177.51 1c20 h TRP 78 N 0.51 0.00 -1.00 -1.77 4.06 -1.88 0.30 115.95 116.17 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 0.16 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 28.27 1c20 h TRP 78 CO 0.06 0.00 0.66 1.96 -3.56 0.00 0.00 178.44 177.57 1c20 h GLN 79 N 0.00 1.31 -0.00 0.49 1.08 -1.97 0.25 115.11 116.27 1c20 h GLN 79 Ca 0.01 -0.08 0.00 0.00 -1.45 0.00 0.00 58.65 57.14 1c20 h GLN 79 Cb 1.02 -0.30 -0.00 0.00 -0.05 0.00 0.00 27.48 28.15 1c20 h GLN 79 CO -0.00 0.87 0.00 1.49 -0.95 0.00 0.00 178.83 180.24 1c20 h GLU 80 N 1.35 0.00 -0.04 1.46 4.22 -0.75 1.47 114.58 122.30 1c20 h GLU 80 Ca 0.37 -0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.80 1c20 h GLU 80 Cb -0.16 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.09 1c20 h GLU 80 CO -0.08 0.00 0.01 0.82 -2.18 0.00 0.00 179.01 177.58 1c20 h ILE 81 N 0.00 1.19 -0.40 2.32 2.04 -1.54 0.09 117.51 121.22 1c20 h ILE 81 Ca 0.00 -0.57 -0.02 0.00 1.00 0.00 0.00 64.86 65.27 1c20 h ILE 81 Cb 0.00 1.50 -0.02 0.00 -0.74 0.00 0.00 36.82 37.56 1c20 h ILE 81 CO -0.00 0.15 0.16 0.40 0.00 0.00 0.00 178.15 178.86 1c20 h ILE 82 N -0.16 1.20 -1.00 -0.67 2.04 -0.33 0.52 117.51 119.11 1c20 h ILE 82 Ca 0.01 -0.61 0.01 0.00 1.00 0.00 0.00 64.86 65.27 1c20 h ILE 82 Cb 0.24 0.86 -0.05 0.00 -0.74 0.00 0.00 36.82 37.13 1c20 h ILE 82 CO 0.00 0.22 0.66 0.11 0.00 0.00 0.00 178.15 179.14 1c20 h LYS 83 N 0.50 1.32 -0.44 2.37 1.79 0.21 0.12 116.57 122.43 1c20 h LYS 83 Ca 0.13 -0.08 -0.14 0.00 -2.18 0.00 0.00 60.65 58.38 1c20 h LYS 83 Cb 0.19 -0.30 -0.01 0.00 -1.58 0.00 0.00 32.23 30.54 1c20 h LYS 83 CO -0.01 0.87 -0.26 0.78 -1.08 0.00 0.00 179.45 179.76 1c20 h GLY 84 N 1.35 1.04 -5.78 3.86 0.00 -0.47 -3.09 103.07 99.99 1c20 h GLY 84 Ca 0.36 -0.96 -0.78 0.00 0.00 0.00 0.00 47.33 45.95 1c20 h GLY 84 CO -0.08 0.87 0.91 -0.10 0.00 0.00 0.00 176.54 178.14 1c20 n LEU 85 N -4.12 7.19 -4.14 3.11 7.94 0.18 -5.04 117.00 122.12 1c20 n LEU 85 Ca -0.01 -5.24 -0.38 0.00 -1.11 0.00 0.00 56.01 49.28 1c20 n LEU 85 Cb 0.48 -1.09 0.03 0.00 0.53 0.00 0.00 43.42 43.37 1c20 n LEU 85 CO 0.47 1.99 -0.94 1.41 -1.11 0.00 0.00 177.39 179.21 1c20 n HIS 86 N -0.22 -3.89 -4.30 1.96 8.25 0.29 -4.74 115.22 112.56 1c20 n HIS 86 Ca 0.48 0.23 -0.24 0.00 -0.26 0.00 0.00 57.72 57.94 1c20 n HIS 86 Cb 0.27 -1.58 -0.08 0.00 1.12 0.00 0.00 29.99 29.72 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 6.21 3.07 0.00 2.41 2.01 -1.26 -4.97 118.68 126.14 1c20 s LEU 87 Ca 0.50 -0.80 0.00 0.00 0.01 0.00 0.00 54.13 53.84 1c20 s LEU 87 Cb -0.35 -1.55 0.00 0.00 0.01 0.00 0.00 46.19 44.30 1c20 s LEU 87 CO 0.73 -0.09 0.39 -2.65 1.01 0.00 0.00 176.35 175.74 1c20 n PRO 88 N -0.91 0.30 -0.89 1.29 -0.02 -1.26 -4.59 135.00 128.92 1c20 n PRO 88 Ca -0.05 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.38 1c20 n PRO 88 Cb 0.60 -1.35 -0.02 0.00 -0.02 0.00 0.00 33.50 32.71 1c20 n PRO 88 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1c20 n SER 89 N 1.15 -2.57 -0.00 2.55 2.88 -1.26 -4.60 113.62 111.77 1c20 n SER 89 Ca 0.00 0.12 0.04 0.00 -1.33 0.00 0.00 58.87 57.70 1c20 n SER 89 Cb 0.15 -2.17 -0.06 0.00 -0.75 0.00 0.00 64.21 61.38 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 0.53 1.96 -4.12 -3.46 3.41 -1.26 -4.94 113.62 105.73 1c20 n SER 90 Ca -0.05 -0.29 -0.33 0.00 -0.26 0.00 0.00 58.87 57.94 1c20 n SER 90 Cb 0.27 1.22 -0.16 0.00 -0.26 0.00 0.00 64.21 65.28 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 -2.23 2.06 -0.25 -1.33 1.01 -1.26 -4.98 121.20 114.22 1c20 s ILE 91 Ca -0.00 -0.94 0.11 0.00 0.00 0.00 0.00 60.65 59.82 1c20 s ILE 91 Cb 0.06 -1.86 0.48 0.00 0.01 0.00 0.00 42.46 41.15 1c20 s ILE 91 CO 0.34 0.54 1.39 0.35 0.00 0.00 0.00 174.94 177.56 1c20 n THR 92 N 4.62 2.41 -1.05 2.92 -2.24 -1.26 -4.43 114.28 115.25 1c20 n THR 92 Ca -0.21 -2.70 0.03 0.00 -2.27 0.00 0.00 64.05 58.90 1c20 n THR 92 Cb 0.50 -0.29 0.05 0.00 -2.10 0.00 0.00 70.33 68.48 1c20 n THR 92 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1c20 n SER 93 N -1.07 1.22 0.02 3.42 2.88 -1.26 -4.75 113.62 114.08 1c20 n SER 93 Ca 0.28 -2.16 -0.01 0.00 -1.33 0.00 0.00 58.87 55.64 1c20 n SER 93 Cb 0.93 -0.19 0.27 0.00 -0.75 0.00 0.00 64.21 64.47 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 0.00 1.29 -0.19 -1.46 0.00 -2.00 -2.51 119.26 114.38 1c20 h ALA 94 Ca 0.00 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 54.68 1c20 h ALA 94 Cb 0.99 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 1c20 h ALA 94 CO 0.00 0.47 0.02 0.00 0.00 0.00 0.00 179.25 179.74 1c20 h ALA 95 N 1.45 0.18 -1.00 0.00 0.00 -1.94 0.24 119.26 118.19 1c20 h ALA 95 Ca 0.08 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.04 1c20 h ALA 95 Cb 0.47 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 1c20 h ALA 95 CO 0.03 -0.42 0.65 0.35 0.00 0.00 0.00 179.25 179.86 1c20 h PHE 96 N 0.09 1.26 -0.57 0.00 3.04 -1.84 -2.11 116.94 116.81 1c20 h PHE 96 Ca 0.09 0.02 -0.10 0.00 3.98 0.00 0.00 57.97 61.96 1c20 h PHE 96 Cb 0.09 -0.43 -0.02 0.00 2.56 0.00 0.00 35.95 38.16 1c20 h PHE 96 CO -0.15 0.80 -0.03 1.15 -2.02 0.00 0.00 178.31 178.06 1c20 h THR 97 N 1.36 1.27 0.08 4.41 2.02 -0.93 -2.95 112.91 118.17 1c20 h THR 97 Ca 0.36 -1.17 -0.00 0.00 0.77 0.00 0.00 66.41 66.37 1c20 h THR 97 Cb -0.14 0.88 0.00 0.00 -1.74 0.00 0.00 68.15 67.15 1c20 h THR 97 CO -0.08 0.42 -0.04 -0.07 0.37 0.00 0.00 175.52 176.13 1c20 h LEU 98 N 0.91 -0.09 -0.99 2.58 3.38 -0.48 -2.78 115.31 117.84 1c20 h LEU 98 Ca 0.16 -0.27 0.01 0.00 0.09 0.00 0.00 57.88 57.87 1c20 h LEU 98 Cb 0.59 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.31 1c20 h LEU 98 CO 0.04 0.23 0.65 0.08 0.09 0.00 0.00 178.44 179.53 1c20 h ARG 99 N -0.41 1.31 -0.07 1.13 0.11 -1.44 -2.30 114.38 112.71 1c20 h ARG 99 Ca -0.01 -0.08 -0.07 0.00 0.10 0.00 0.00 59.98 59.91 1c20 h ARG 99 Cb 0.35 -0.29 0.00 0.00 1.11 0.00 0.00 29.97 31.14 1c20 h ARG 99 CO 0.02 0.87 -0.25 0.00 0.10 0.00 0.00 179.97 180.71 1c20 h THR 100 N 1.35 1.43 -0.73 0.08 1.03 -1.56 -2.44 112.91 112.07 1c20 h THR 100 Ca 0.36 -1.65 -0.02 0.00 -0.01 0.00 0.00 66.41 65.09 1c20 h THR 100 Cb -0.15 2.32 -0.03 0.00 -1.07 0.00 0.00 68.15 69.22 1c20 h THR 100 CO -0.08 0.47 0.37 1.56 -0.01 0.00 0.00 175.52 177.83 1c20 h GLN 101 N -0.22 1.03 -0.00 0.00 1.08 -1.47 -1.05 115.11 114.48 1c20 h GLN 101 Ca -0.01 -0.14 0.00 0.00 -1.45 0.00 0.00 58.65 57.05 1c20 h GLN 101 Cb 0.89 -0.19 -0.00 0.00 -0.05 0.00 0.00 27.48 28.12 1c20 h GLN 101 CO 0.05 0.79 0.00 -0.92 -0.95 0.00 0.00 178.83 177.80 1c20 h TYR 102 N 1.01 0.00 -0.12 2.96 5.03 -1.47 -2.52 116.97 121.87 1c20 h TYR 102 Ca 0.25 0.00 -0.04 0.00 2.58 0.00 0.00 58.73 61.52 1c20 h TYR 102 Cb 0.08 -0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.35 1c20 h TYR 102 CO 0.00 0.00 -0.11 0.52 -1.32 0.00 0.00 178.16 177.26 1c20 h MET 103 N -0.00 0.18 -0.68 1.82 2.86 -1.13 2.08 114.93 120.06 1c20 h MET 103 Ca 0.00 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.57 1c20 h MET 103 Cb 0.00 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.60 1c20 h MET 103 CO -0.00 0.29 0.29 -0.22 1.06 0.00 0.00 176.91 178.33 1c20 h LYS 104 N 0.17 0.99 0.00 1.72 3.11 -0.74 -3.35 116.57 118.47 1c20 h LYS 104 Ca 0.04 -0.16 0.00 0.00 -2.81 0.00 0.00 60.65 57.72 1c20 h LYS 104 Cb 0.30 -0.17 0.00 0.00 -1.00 0.00 0.00 32.23 31.36 1c20 h LYS 104 CO 0.02 0.80 -0.35 0.66 -2.81 0.00 0.00 179.45 177.77 1c20 n TYR 105 N -4.31 0.00 0.52 1.91 4.01 -1.03 -4.87 117.16 113.39 1c20 n TYR 105 Ca 0.06 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.88 1c20 n TYR 105 Cb 0.16 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.09 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 -0.66 0.52 -0.04 7.72 4.77 0.70 -4.30 117.00 125.72 1c20 n LEU 106 Ca 0.00 -0.34 -0.10 0.00 -0.03 0.00 0.00 56.01 55.54 1c20 n LEU 106 Cb 0.00 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.15 1c20 n LEU 106 CO 0.00 0.13 0.56 0.22 -1.33 0.00 0.00 177.39 176.97 1c20 h TYR 107 N 0.00 0.83 -0.20 -1.77 3.20 -1.50 -1.63 116.97 115.89 1c20 h TYR 107 Ca 0.00 -0.25 -0.18 0.00 3.14 0.00 0.00 58.73 61.44 1c20 h TYR 107 Cb 0.50 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.60 1c20 h TYR 107 CO 0.00 0.99 -0.59 -1.00 -1.64 0.00 0.00 178.16 175.93 1c20 h PRO 108 N 0.56 0.75 0.01 1.82 0.14 -1.83 -0.84 132.00 132.61 1c20 h PRO 108 Ca 0.04 -0.54 -0.00 0.00 0.14 0.00 0.00 66.00 65.64 1c20 h PRO 108 Cb 0.96 0.09 0.00 0.00 0.14 0.00 0.00 31.00 32.19 1c20 h PRO 108 CO 0.09 1.16 -0.00 -0.92 0.14 0.00 0.00 178.00 178.47 1c20 h TYR 109 N 0.48 -0.01 -0.42 1.56 3.20 -1.74 0.73 116.97 120.77 1c20 h TYR 109 Ca -0.02 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.86 1c20 h TYR 109 Cb 1.21 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.46 1c20 h TYR 109 CO 0.09 0.08 0.26 1.49 -1.64 0.00 0.00 178.16 178.44 1c20 h GLU 110 N -0.09 0.52 -0.74 1.82 4.81 -1.32 -1.57 114.58 118.00 1c20 h GLU 110 Ca -0.00 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.16 1c20 h GLU 110 Cb 0.09 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.32 1c20 h GLU 110 CO 0.00 0.34 0.32 0.00 -0.73 0.00 0.00 179.01 178.94 1c20 h GLU 112 N 1.06 -0.34 -0.34 0.00 4.57 0.91 2.42 114.58 122.87 1c20 h GLU 112 Ca 0.25 0.02 -0.16 0.00 -1.18 0.00 0.00 59.36 58.29 1c20 h GLU 112 Cb 0.18 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.84 1c20 h GLU 112 CO -0.02 -0.04 -0.43 0.87 -1.18 0.00 0.00 179.01 178.21 1c20 h LYS 113 N -0.64 0.86 0.00 1.92 1.79 -1.27 -3.37 116.57 115.87 1c20 h LYS 113 Ca -0.04 -0.47 -0.18 0.00 -2.18 0.00 0.00 60.65 57.78 1c20 h LYS 113 Cb 0.45 0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 31.09 1c20 h LYS 113 CO 0.06 1.11 -1.70 1.63 -1.08 0.00 0.00 179.45 179.48 1c20 n LYS 114 N -4.04 2.34 -3.81 3.15 4.76 0.19 -5.02 118.16 115.73 1c20 n LYS 114 Ca -0.03 -0.01 -0.25 0.00 -2.87 0.00 0.00 58.31 55.16 1c20 n LYS 114 Cb 0.56 -1.26 0.02 0.00 -1.84 0.00 0.00 35.03 32.51 1c20 n LYS 114 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1c20 n ASN 115 N -2.37 -1.92 -0.34 4.39 5.15 0.82 -4.84 115.26 116.14 1c20 n ASN 115 Ca -0.17 -0.85 -0.04 0.00 -0.60 0.00 0.00 54.58 52.93 1c20 n ASN 115 Cb 0.83 -3.79 0.09 0.00 -0.53 0.00 0.00 39.78 36.38 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 -1.90 1.13 -8.35 1.20 3.38 -1.79 -3.46 115.31 105.51 1c20 h LEU 116 Ca -0.61 -0.10 -0.19 0.00 0.09 0.00 0.00 57.88 57.07 1c20 h LEU 116 Cb 1.37 -0.29 -0.05 0.00 0.09 0.00 0.00 40.66 41.78 1c20 h LEU 116 CO 0.61 0.90 -0.02 -0.94 0.09 0.00 0.00 178.44 179.08 1c20 s SER 117 N -6.24 0.64 0.15 -0.43 1.04 -1.26 -5.07 113.70 102.53 1c20 s SER 117 Ca -0.13 -1.39 0.07 0.00 0.48 0.00 0.00 55.95 54.99 1c20 s SER 117 Cb 0.17 0.74 -0.04 0.00 0.10 0.00 0.00 66.02 66.99 1c20 s SER 117 CO 0.83 -1.45 -0.16 0.42 0.98 0.00 0.00 173.24 173.86 1c20 s THR 118 N -2.73 1.61 0.63 2.02 -4.23 -1.26 -4.97 115.64 106.72 1c20 s THR 118 Ca 0.25 -1.89 0.18 0.00 -1.18 0.00 0.00 61.69 59.06 1c20 s THR 118 Cb -0.02 -1.76 0.24 0.00 1.34 0.00 0.00 72.50 72.30 1c20 s THR 118 CO 0.18 -0.40 1.41 -0.65 -0.54 0.00 0.00 174.62 174.61 1c20 h PRO 119 N 3.24 0.00 0.51 3.99 0.10 -2.02 -0.89 132.00 136.93 1c20 h PRO 119 Ca -0.41 0.00 -0.03 0.00 0.10 0.00 0.00 66.00 65.67 1c20 h PRO 119 Cb 1.20 0.00 0.01 0.00 0.10 0.00 0.00 31.00 32.31 1c20 h PRO 119 CO 0.53 0.00 -0.25 0.00 0.10 0.00 0.00 178.00 178.38 1c20 h ALA 120 N 0.64 -0.79 -0.10 -0.75 0.00 -2.00 -2.10 119.26 114.17 1c20 h ALA 120 Ca 0.19 -0.15 -0.15 0.00 0.00 0.00 0.00 54.91 54.80 1c20 h ALA 120 Cb 1.91 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.95 1c20 h ALA 120 CO -0.00 -0.74 -0.57 1.05 0.00 0.00 0.00 179.25 178.99 1c20 h GLU 121 N -1.02 0.32 -0.66 0.00 9.09 -1.69 -3.04 114.58 117.58 1c20 h GLU 121 Ca -0.07 -0.21 0.01 0.00 0.05 0.00 0.00 59.36 59.14 1c20 h GLU 121 Cb 0.53 0.03 -0.03 0.00 -1.65 0.00 0.00 28.75 27.62 1c20 h GLU 121 CO 0.12 0.80 0.44 1.25 0.05 0.00 0.00 179.01 181.67 1c20 h LEU 122 N 0.24 0.76 -1.12 3.06 5.85 -1.29 -0.92 115.31 121.89 1c20 h LEU 122 Ca -0.00 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.72 1c20 h LEU 122 Cb 1.08 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.87 1c20 h LEU 122 CO 0.09 0.55 0.60 -0.61 -0.34 0.00 0.00 178.44 178.73 1c20 h GLN 123 N 0.90 1.15 -0.98 1.25 4.15 -1.28 0.10 115.11 120.40 1c20 h GLN 123 Ca 0.24 -0.07 0.02 0.00 0.77 0.00 0.00 58.65 59.61 1c20 h GLN 123 Cb -0.10 -0.26 -0.05 0.00 0.21 0.00 0.00 27.48 27.28 1c20 h GLN 123 CO -0.05 0.76 0.65 0.00 -1.93 0.00 0.00 178.83 178.25 1c20 h ALA 124 N 1.45 1.31 -0.49 3.38 0.00 -1.10 0.77 119.26 124.59 1c20 h ALA 124 Ca 0.35 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 55.08 1c20 h ALA 124 Cb -0.06 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.33 1c20 h ALA 124 CO -0.09 0.63 -0.15 0.00 0.00 0.00 0.00 179.25 179.63 1c20 h ALA 125 N 1.40 0.67 -0.17 0.00 0.00 0.02 1.96 119.26 123.15 1c20 h ALA 125 Ca 0.36 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1c20 h ALA 125 Cb -0.12 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 1c20 h ALA 125 CO -0.09 0.61 -0.14 0.82 0.00 0.00 0.00 179.25 180.46 1c20 h ILE 126 N 0.81 1.33 -0.08 0.00 2.04 0.13 -2.85 117.51 118.90 1c20 h ILE 126 Ca 0.12 -1.27 -0.23 0.00 1.00 0.00 0.00 64.86 64.48 1c20 h ILE 126 Cb 0.72 1.78 0.01 0.00 -0.74 0.00 0.00 36.82 38.59 1c20 h ILE 126 CO 0.05 0.38 -0.88 0.44 0.00 0.00 0.00 178.15 178.14 1c20 h ASP 127 N 0.05 0.84 -0.01 1.72 3.32 0.58 -3.14 116.42 119.79 1c20 h ASP 127 Ca 0.03 -0.61 0.00 0.00 0.02 0.00 0.00 57.03 56.48 1c20 h ASP 127 Cb 0.66 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.95 1c20 h ASP 127 CO 0.04 1.40 0.08 1.23 -1.72 0.00 0.00 179.24 180.26 1c20 h GLY 128 N 0.66 0.00 2.00 2.75 0.00 0.31 -1.55 103.07 107.24 1c20 h GLY 128 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.25 1c20 h GLY 128 CO 0.17 0.00 0.00 3.45 0.00 0.00 0.00 176.54 180.16 1c20 h ASN 129 N 0.00 0.00 0.00 0.19 -1.07 -1.45 -3.50 115.58 109.75 1c20 h ASN 129 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.38 1c20 h ASN 129 Cb 0.16 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.41 1c20 h ASN 129 CO -0.00 0.00 0.00 -2.11 0.07 0.00 0.00 177.43 175.39