#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 2.87 0.00 1.61 -0.11 -1.26 -5.02 118.94 117.02 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 -3.35 0.00 0.00 -1.50 0.00 0.00 33.47 28.62 1c20 s TRP 4 CO 0.00 -1.47 0.00 -1.13 -4.62 0.00 0.00 176.95 169.73 1c20 n SER 5 N -0.59 0.00 0.11 5.86 3.41 -1.26 -5.03 113.62 116.12 1c20 n SER 5 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 1c20 n SER 5 Cb 0.49 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 1c20 n SER 5 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1c20 n PHE 6 N -0.14 -3.49 0.30 7.33 -0.00 -1.26 -4.87 117.46 115.33 1c20 n PHE 6 Ca 0.00 0.77 0.17 0.00 -0.00 0.00 0.00 57.45 58.39 1c20 n PHE 6 Cb 0.00 2.16 0.83 0.00 -0.00 0.00 0.00 39.48 42.47 1c20 n PHE 6 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 176.76 177.81 1c20 h GLU 7 N 0.00 0.00 -0.53 -4.13 4.11 -2.01 -1.95 114.58 110.07 1c20 h GLU 7 Ca 0.00 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.31 1c20 h GLU 7 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1c20 h GLU 7 CO 0.00 0.00 -0.14 0.93 0.07 0.00 0.00 179.01 179.87 1c20 h GLU 8 N 0.00 1.03 0.00 1.06 5.08 -2.00 -2.06 114.58 117.69 1c20 h GLU 8 Ca 0.00 -0.40 -0.02 0.00 -1.00 0.00 0.00 59.36 57.94 1c20 h GLU 8 Cb 0.23 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 1c20 h GLU 8 CO 0.00 1.09 -0.09 1.96 -1.00 0.00 0.00 179.01 180.97 1c20 h GLN 9 N 0.91 0.00 0.70 2.33 1.08 -1.70 -3.01 115.11 115.41 1c20 h GLN 9 Ca 0.13 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.30 1c20 h GLN 9 Cb 0.72 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.16 1c20 h GLN 9 CO 0.06 0.09 -0.34 0.35 -0.95 0.00 0.00 178.83 178.04 1c20 h PHE 10 N 0.00 -0.87 -0.00 2.96 3.04 -1.29 -2.79 116.94 117.99 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 0.52 0.29 -0.00 0.00 2.56 0.00 0.00 35.95 39.32 1c20 h PHE 10 CO 0.00 -0.51 0.00 1.57 -2.02 0.00 0.00 178.31 177.35 1c20 h LYS 11 N -1.16 0.00 0.00 1.11 2.10 -1.52 -0.35 116.57 116.76 1c20 h LYS 11 Ca -0.10 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.55 1c20 h LYS 11 Cb 0.75 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.08 1c20 h LYS 11 CO 0.16 0.00 -0.03 1.96 -2.00 0.00 0.00 179.45 179.54 1c20 h GLN 12 N 0.00 0.00 -0.03 0.07 4.20 -1.36 -0.26 115.11 117.73 1c20 h GLN 12 Ca 0.00 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.54 1c20 h GLN 12 Cb 0.00 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 1c20 h GLN 12 CO -0.00 0.03 -0.73 -0.24 -0.67 0.00 0.00 178.83 177.22 1c20 h VAL 13 N 0.00 1.44 -0.38 -0.54 3.04 -0.85 -3.14 116.25 115.83 1c20 h VAL 13 Ca -0.00 -2.28 0.00 0.00 -1.01 0.00 0.00 66.70 63.41 1c20 h VAL 13 Cb 0.05 2.22 -0.02 0.00 -2.01 0.00 0.00 31.29 31.53 1c20 h VAL 13 CO 0.00 0.67 0.25 0.03 -1.01 0.00 0.00 177.57 177.51 1c20 h ARG 14 N 0.13 0.50 0.00 4.17 3.08 -1.02 -1.23 114.38 120.01 1c20 h ARG 14 Ca -0.02 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 1c20 h ARG 14 Cb 1.29 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 31.22 1c20 h ARG 14 CO 0.11 0.34 -0.01 -0.56 -1.07 0.00 0.00 179.97 178.78 1c20 h GLN 15 N 0.51 0.00 -0.26 0.04 3.07 -1.46 -1.93 115.11 115.08 1c20 h GLN 15 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.88 1c20 h GLN 15 Cb -0.05 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.50 1c20 h GLN 15 CO -0.03 0.01 0.17 -0.07 0.09 0.00 0.00 178.83 179.00 1c20 h LEU 16 N 0.00 0.30 -0.72 0.06 3.38 -1.18 -2.07 115.31 115.09 1c20 h LEU 16 Ca -0.00 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 1c20 h LEU 16 Cb 0.02 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1c20 h LEU 16 CO 0.00 0.23 0.01 1.88 0.09 0.00 0.00 178.44 180.65 1c20 h TYR 17 N 0.35 1.08 0.00 1.13 -1.99 -1.30 -2.45 116.97 113.79 1c20 h TYR 17 Ca 0.09 -0.17 0.00 0.00 2.00 0.00 0.00 58.73 60.65 1c20 h TYR 17 Cb -0.03 -0.29 0.00 0.00 2.00 0.00 0.00 36.73 38.42 1c20 h TYR 17 CO -0.06 0.95 0.00 0.39 -0.00 0.00 0.00 178.16 179.45 1c20 n GLU 18 N -4.19 0.35 -0.33 4.88 1.02 -0.84 -3.42 120.64 118.11 1c20 n GLU 18 Ca 0.03 0.08 0.11 0.00 -0.02 0.00 0.00 57.16 57.36 1c20 n GLU 18 Cb 0.33 -1.50 0.31 0.00 -0.02 0.00 0.00 31.44 30.56 1c20 n GLU 18 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1c20 h ILE 19 N 0.00 0.81 -2.18 -3.67 2.04 -0.88 -3.45 117.51 110.18 1c20 h ILE 19 Ca 0.00 -0.28 0.25 0.00 1.00 0.00 0.00 64.86 65.82 1c20 h ILE 19 Cb 0.10 -0.08 -0.07 0.00 -0.74 0.00 0.00 36.82 36.03 1c20 h ILE 19 CO 0.00 0.15 0.71 0.21 0.00 0.00 0.00 178.15 179.22 1c20 s ASN 20 N -5.61 -0.03 -0.14 1.72 2.47 -1.22 -5.00 114.94 107.13 1c20 s ASN 20 Ca -0.11 -0.40 0.09 0.00 0.42 0.00 0.00 52.86 52.86 1c20 s ASN 20 Cb 0.23 0.33 0.52 0.00 -1.45 0.00 0.00 41.25 40.88 1c20 s ASN 20 CO 0.80 -0.65 1.30 -0.90 -3.72 0.00 0.00 177.10 173.93 1c20 n ASP 21 N -0.93 3.91 -4.58 -4.21 5.75 -1.26 -4.93 116.55 110.29 1c20 n ASP 21 Ca -0.03 -2.54 -0.51 0.00 -0.01 0.00 0.00 54.79 51.70 1c20 n ASP 21 Cb 0.60 -0.59 -0.06 0.00 -1.03 0.00 0.00 41.12 40.03 1c20 n ASP 21 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1c20 n ASP 22 N 0.44 2.63 0.04 -1.12 9.92 -1.26 -4.85 116.55 122.35 1c20 n ASP 22 Ca 0.18 0.70 -0.12 0.00 -0.53 0.00 0.00 54.79 55.01 1c20 n ASP 22 Cb 0.82 -1.28 -0.07 0.00 -0.64 0.00 0.00 41.12 39.94 1c20 n ASP 22 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1c20 h PRO 23 N 10.56 -0.01 -0.93 -0.24 0.14 -1.99 -1.79 132.00 137.73 1c20 h PRO 23 Ca -0.38 0.00 0.01 0.00 0.14 0.00 0.00 66.00 65.77 1c20 h PRO 23 Cb 1.30 0.00 -0.05 0.00 0.14 0.00 0.00 31.00 32.40 1c20 h PRO 23 CO 0.98 0.04 0.62 0.87 0.14 0.00 0.00 178.00 180.65 1c20 h LYS 24 N -0.06 1.23 -0.71 0.86 1.57 -1.98 0.34 116.57 117.81 1c20 h LYS 24 Ca -0.00 -0.08 0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1c20 h LYS 24 Cb 0.06 -0.28 -0.03 0.00 0.08 0.00 0.00 32.23 32.06 1c20 h LYS 24 CO 0.00 0.82 0.47 -0.09 -0.57 0.00 0.00 179.45 180.08 1c20 h ARG 25 N 1.27 0.93 -0.03 3.15 2.43 -1.91 1.06 114.38 121.28 1c20 h ARG 25 Ca 0.34 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.45 1c20 h ARG 25 Cb -0.14 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 29.20 1c20 h ARG 25 CO -0.07 0.62 0.02 -0.22 -1.51 0.00 0.00 179.97 178.80 1c20 h LYS 26 N 0.96 0.04 -0.49 0.20 3.64 -0.35 -0.39 116.57 120.18 1c20 h LYS 26 Ca 0.26 -0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.55 1c20 h LYS 26 Cb -0.11 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.69 1c20 h LYS 26 CO -0.06 0.02 -0.04 0.93 -2.27 0.00 0.00 179.45 178.04 1c20 h GLU 27 N 0.04 0.90 0.00 1.90 4.39 -0.38 -2.46 114.58 118.98 1c20 h GLU 27 Ca 0.01 -0.30 0.00 0.00 0.34 0.00 0.00 59.36 59.41 1c20 h GLU 27 Cb -0.00 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 28.57 1c20 h GLU 27 CO -0.00 0.95 -0.00 0.35 -1.16 0.00 0.00 179.01 179.14 1c20 h PHE 28 N 0.76 -0.01 -0.71 4.33 3.57 0.15 -0.34 116.94 124.68 1c20 h PHE 28 Ca 0.14 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.64 1c20 h PHE 28 Cb 0.57 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.27 1c20 h PHE 28 CO 0.04 -0.00 0.47 -0.07 -2.23 0.00 0.00 178.31 176.52 1c20 h LEU 29 N -0.01 0.81 -1.00 0.59 3.38 -1.05 0.13 115.31 118.17 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 0.01 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.50 1c20 h LEU 29 CO -0.00 0.59 0.66 0.44 0.09 0.00 0.00 178.44 180.22 1c20 h ASP 30 N 0.96 1.15 0.14 -0.43 3.32 -1.08 -0.75 116.42 119.73 1c20 h ASP 30 Ca 0.26 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.27 1c20 h ASP 30 Cb -0.11 -0.29 0.00 0.00 0.22 0.00 0.00 39.33 39.16 1c20 h ASP 30 CO -0.06 0.83 -0.07 -0.78 -1.72 0.00 0.00 179.24 177.45 1c20 h ASP 31 N 1.36 -0.16 0.36 6.45 1.82 -0.13 -1.57 116.42 124.55 1c20 h ASP 31 Ca 0.37 -0.39 -0.02 0.00 -0.39 0.00 0.00 57.03 56.60 1c20 h ASP 31 Cb -0.15 0.04 0.00 0.00 0.68 0.00 0.00 39.33 39.90 1c20 h ASP 31 CO -0.08 0.40 -0.17 0.25 -1.61 0.00 0.00 179.24 178.03 1c20 h LEU 32 N -0.82 -0.41 -1.01 2.28 5.85 -0.74 -1.56 115.31 118.90 1c20 h LEU 32 Ca -0.02 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.73 1c20 h LEU 32 Cb 0.54 0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.63 1c20 h LEU 32 CO 0.03 -0.30 0.67 -0.26 -0.34 0.00 0.00 178.44 178.24 1c20 h PHE 33 N -0.49 1.27 -0.23 1.25 -1.00 -1.27 -2.82 116.94 113.65 1c20 h PHE 33 Ca -0.05 0.03 0.01 0.00 2.81 0.00 0.00 57.97 60.77 1c20 h PHE 33 Cb 0.37 -0.43 -0.02 0.00 3.61 0.00 0.00 35.95 39.49 1c20 h PHE 33 CO -0.05 0.80 0.13 0.77 -1.61 0.00 0.00 178.31 178.35 1c20 h SER 34 N 1.36 0.22 0.39 2.17 0.02 -0.88 1.66 113.55 118.49 1c20 h SER 34 Ca 0.37 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.31 1c20 h SER 34 Cb -0.16 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.32 1c20 h SER 34 CO -0.08 0.16 -0.34 0.15 -1.14 0.00 0.00 176.83 175.58 1c20 h PHE 35 N 0.28 -0.92 0.00 3.45 3.04 -1.06 -0.92 116.94 120.82 1c20 h PHE 35 Ca 0.09 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.04 1c20 h PHE 35 Cb -0.00 0.35 0.00 0.00 2.56 0.00 0.00 35.95 38.86 1c20 h PHE 35 CO -0.08 -0.49 0.00 0.00 -2.02 0.00 0.00 178.31 175.72 1c20 h MET 36 N -0.75 0.00 0.00 1.11 -0.00 -1.36 -2.87 114.93 111.07 1c20 h MET 36 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.67 1c20 h MET 36 Cb 0.65 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.25 1c20 h MET 36 CO -0.03 0.00 0.00 0.94 -0.00 0.00 0.00 176.91 177.82 1c20 n GLN 37 N -2.55 0.02 -0.34 -0.10 7.27 0.56 -2.33 117.38 119.91 1c20 n GLN 37 Ca 0.02 0.52 0.19 0.00 0.07 0.00 0.00 57.00 57.79 1c20 n GLN 37 Cb 0.27 -1.58 0.40 0.00 2.41 0.00 0.00 30.24 31.74 1c20 n GLN 37 CO 0.00 0.00 0.00 0.87 0.07 0.00 0.00 177.06 178.00 1c20 h LYS 38 N 0.00 0.53 -0.39 3.69 1.57 -1.55 1.45 116.57 121.88 1c20 h LYS 38 Ca 0.00 -0.03 -0.16 0.00 -1.87 0.00 0.00 60.65 58.59 1c20 h LYS 38 Cb 0.01 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 1c20 h LYS 38 CO 0.00 0.35 -0.39 0.00 -0.57 0.00 0.00 179.45 178.84 1c20 h ARG 39 N 0.54 0.95 0.00 3.15 3.08 -1.77 -3.47 114.38 116.86 1c20 h ARG 39 Ca 0.65 -0.50 0.00 0.00 0.07 0.00 0.00 59.98 60.20 1c20 h ARG 39 Cb 1.29 0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.36 1c20 h ARG 39 CO -0.48 1.16 0.00 0.41 -1.07 0.00 0.00 179.97 179.99 1c20 n GLY 40 N 0.14 1.48 3.59 0.04 0.00 0.50 -5.11 105.19 105.83 1c20 n GLY 40 Ca -0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.10 3.36 0.00 2.61 -4.23 -1.26 -5.01 115.64 109.01 1c20 s THR 41 Ca 0.00 -1.41 0.00 0.00 -1.18 0.00 0.00 61.69 59.10 1c20 s THR 41 Cb 0.00 -2.62 0.00 0.00 1.34 0.00 0.00 72.50 71.22 1c20 s THR 41 CO 0.00 0.01 0.00 -0.81 -0.54 0.00 0.00 174.62 173.28 1c20 n PRO 42 N 0.37 -0.47 0.00 3.99 -0.04 -1.26 -4.75 135.00 132.85 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 0.54 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.00 1c20 n PRO 42 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 1c20 n ILE 43 N -2.45 0.00 -0.05 0.52 0.13 -1.26 -4.94 119.36 111.30 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 0.78 2.80 0.00 0.00 176.55 180.13 1c20 h ASN 44 N 0.00 0.00 -5.12 9.51 4.21 -1.93 -3.49 115.58 118.76 1c20 h ASN 44 Ca 0.00 0.00 -0.08 0.00 1.21 0.00 0.00 56.30 57.43 1c20 h ASN 44 Cb 0.00 0.00 -0.14 0.00 -1.12 0.00 0.00 38.32 37.06 1c20 h ASN 44 CO 0.00 0.50 -0.29 -0.13 -1.29 0.00 0.00 177.43 176.22 1c20 s ARG 45 N -1.57 0.88 -0.56 0.81 0.52 -1.26 -5.10 118.95 112.66 1c20 s ARG 45 Ca -0.01 -0.83 0.04 0.00 -0.52 0.00 0.00 55.73 54.42 1c20 s ARG 45 Cb 0.00 0.37 0.17 0.00 0.52 0.00 0.00 34.95 36.01 1c20 s ARG 45 CO 0.01 -0.30 0.42 -0.51 0.02 0.00 0.00 175.30 174.94 1c20 s LEU 46 N -2.71 3.12 0.34 2.53 1.43 -1.26 -5.11 118.68 117.03 1c20 s LEU 46 Ca 0.03 -3.46 -0.29 0.00 -1.03 0.00 0.00 54.13 49.38 1c20 s LEU 46 Cb 0.03 -1.04 -0.11 0.00 0.03 0.00 0.00 46.19 45.10 1c20 s LEU 46 CO -0.10 -0.13 1.52 -2.65 0.23 0.00 0.00 176.35 175.22 1c20 n PRO 47 N 2.41 2.66 -3.73 1.29 -0.02 -1.26 -4.85 135.00 131.49 1c20 n PRO 47 Ca 0.25 0.94 -0.36 0.00 -2.02 0.00 0.00 63.50 62.30 1c20 n PRO 47 Cb 0.41 -2.68 -0.10 0.00 -0.02 0.00 0.00 33.50 31.11 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 -0.69 5.11 -0.58 4.25 -1.09 -1.26 -2.80 121.20 124.13 1c20 s ILE 48 Ca 0.57 0.09 -0.22 0.00 -2.23 0.00 0.00 60.65 58.86 1c20 s ILE 48 Cb -0.49 -3.37 0.06 0.00 -1.58 0.00 0.00 42.46 37.08 1c20 s ILE 48 CO 0.58 0.36 0.86 -0.04 -1.23 0.00 0.00 174.94 175.47 1c20 s MET 49 N 1.06 3.19 0.24 2.79 -1.94 0.15 -4.88 119.30 119.92 1c20 s MET 49 Ca 0.06 -0.68 0.00 0.00 -1.71 0.00 0.00 55.69 53.37 1c20 s MET 49 Cb -0.14 -4.14 0.00 0.00 2.01 0.00 0.00 34.83 32.56 1c20 s MET 49 CO 0.04 -1.55 0.00 0.00 -0.01 0.00 0.00 175.02 173.51 1c20 n ALA 50 N 7.17 0.00 0.41 3.03 0.00 -1.26 0.23 120.51 130.09 1c20 n ALA 50 Ca -0.03 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.45 1c20 n ALA 50 Cb 0.46 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.88 1c20 n ALA 50 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1c20 n LYS 51 N 0.00 3.46 -3.98 0.00 2.85 -1.26 -5.00 118.16 114.23 1c20 n LYS 51 Ca 0.00 -0.20 -0.22 0.00 -1.05 0.00 0.00 58.31 56.85 1c20 n LYS 51 Cb 0.00 -0.96 -0.02 0.00 -0.65 0.00 0.00 35.03 33.40 1c20 n LYS 51 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 1c20 s SER 52 N -1.64 6.26 -0.11 -5.58 0.01 0.62 -5.11 113.70 108.16 1c20 s SER 52 Ca 0.05 0.06 0.02 0.00 1.31 0.00 0.00 55.95 57.39 1c20 s SER 52 Cb 0.07 -1.83 -0.01 0.00 0.21 0.00 0.00 66.02 64.46 1c20 s SER 52 CO 0.31 -0.05 -0.19 -0.69 0.41 0.00 0.00 173.24 173.03 1c20 s VAL 53 N -1.97 2.51 -0.56 3.43 1.01 -1.26 0.32 120.40 123.88 1c20 s VAL 53 Ca 0.34 -0.86 -0.26 0.00 0.00 0.00 0.00 61.98 61.20 1c20 s VAL 53 Cb -0.09 -2.00 -0.08 0.00 0.00 0.00 0.00 36.38 34.20 1c20 s VAL 53 CO 0.29 0.54 2.40 -0.22 0.00 0.00 0.00 175.10 178.11 1c20 s LEU 54 N 0.32 3.28 -0.14 3.92 2.96 -1.12 -4.89 118.68 123.01 1c20 s LEU 54 Ca -0.15 0.82 -0.29 0.00 -0.22 0.00 0.00 54.13 54.29 1c20 s LEU 54 Cb -0.17 -2.51 -0.03 0.00 0.50 0.00 0.00 46.19 43.98 1c20 s LEU 54 CO 0.07 -3.12 1.43 -0.62 -1.32 0.00 0.00 176.35 172.80 1c20 s ASP 55 N 11.85 6.79 0.25 3.68 -1.08 -1.26 -4.89 116.67 132.01 1c20 s ASP 55 Ca 0.96 1.86 -0.06 0.00 -0.52 0.00 0.00 52.55 54.79 1c20 s ASP 55 Cb -0.16 -2.54 0.26 0.00 -1.46 0.00 0.00 42.92 39.02 1c20 s ASP 55 CO 0.22 -0.87 1.93 -0.07 0.52 0.00 0.00 175.17 176.89 1c20 h LEU 56 N 10.10 1.16 -0.94 -1.34 3.38 -2.01 -2.55 115.31 123.11 1c20 h LEU 56 Ca -0.31 -0.03 0.26 0.00 0.09 0.00 0.00 57.88 57.89 1c20 h LEU 56 Cb 1.13 -0.29 -0.14 0.00 0.09 0.00 0.00 40.66 41.46 1c20 h LEU 56 CO 0.97 0.84 0.43 0.22 0.09 0.00 0.00 178.44 180.99 1c20 h TYR 57 N 1.37 0.70 -0.93 1.13 5.03 -2.00 0.27 116.97 122.53 1c20 h TYR 57 Ca 0.37 0.04 -0.00 0.00 2.58 0.00 0.00 58.73 61.72 1c20 h TYR 57 Cb -0.16 -0.16 -0.05 0.00 1.55 0.00 0.00 36.73 37.92 1c20 h TYR 57 CO 0.00 -0.12 0.56 0.93 -1.32 0.00 0.00 178.16 178.21 1c20 h GLU 58 N 0.34 1.26 -0.01 1.82 5.08 -1.86 -0.36 114.58 120.86 1c20 h GLU 58 Ca 0.63 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.87 1c20 h GLU 58 Cb 1.30 -0.27 -0.00 0.00 0.50 0.00 0.00 28.75 30.28 1c20 h GLU 58 CO -0.59 0.88 0.01 1.25 -1.00 0.00 0.00 179.01 179.56 1c20 h LEU 59 N 1.28 0.01 -0.00 1.33 5.85 -0.57 -0.90 115.31 122.31 1c20 h LEU 59 Ca 0.33 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.05 1c20 h LEU 59 Cb -0.06 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 40.97 1c20 h LEU 59 CO -0.06 0.01 0.00 0.22 -0.34 0.00 0.00 178.44 178.27 1c20 h TYR 60 N 0.02 0.00 -0.86 1.25 3.20 -1.08 -1.38 116.97 118.12 1c20 h TYR 60 Ca 0.01 0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.89 1c20 h TYR 60 Cb -0.00 -0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.22 1c20 h TYR 60 CO -0.08 0.02 0.57 -2.95 -1.64 0.00 0.00 178.16 174.07 1c20 h ASN 61 N -0.01 0.97 -0.87 -2.11 -1.07 -0.93 -1.50 115.58 110.05 1c20 h ASN 61 Ca 0.00 -0.02 -0.03 0.00 0.07 0.00 0.00 56.30 56.32 1c20 h ASN 61 Cb 0.02 -0.24 -0.04 0.00 -2.07 0.00 0.00 38.32 35.99 1c20 h ASN 61 CO -0.00 0.70 0.44 -0.07 0.07 0.00 0.00 177.43 178.57 1c20 h LEU 62 N 1.15 1.13 0.00 6.14 3.38 -0.93 1.00 115.31 127.17 1c20 h LEU 62 Ca 0.32 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 1c20 h LEU 62 Cb -0.11 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.36 1c20 h LEU 62 CO -0.08 0.93 -0.00 0.58 0.09 0.00 0.00 178.44 179.96 1c20 h VAL 63 N 1.24 1.22 -0.41 1.22 2.07 -0.40 -3.14 116.25 118.05 1c20 h VAL 63 Ca 0.30 -0.67 -0.15 0.00 0.82 0.00 0.00 66.70 67.00 1c20 h VAL 63 Cb 0.09 1.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 1c20 h VAL 63 CO -0.04 0.17 -0.34 0.40 0.02 0.00 0.00 177.57 177.78 1c20 h ILE 64 N -0.29 1.27 0.00 4.57 1.08 -1.22 -2.40 117.51 120.52 1c20 h ILE 64 Ca -0.00 -1.52 0.00 0.00 -0.39 0.00 0.00 64.86 62.95 1c20 h ILE 64 Cb 0.29 1.31 0.00 0.00 -3.07 0.00 0.00 36.82 35.35 1c20 h ILE 64 CO 0.00 0.51 0.35 0.00 -0.69 0.00 0.00 178.15 178.32 1c20 h ALA 65 N 0.80 1.25 0.00 1.87 0.00 -0.77 0.65 119.26 123.07 1c20 h ALA 65 Ca 0.07 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 1c20 h ALA 65 Cb 0.94 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1c20 h ALA 65 CO 0.09 -0.25 -1.76 0.54 0.00 0.00 0.00 179.25 177.87 1c20 n ARG 66 N -2.16 0.65 0.00 0.00 5.12 -0.91 -4.97 116.66 114.38 1c20 n ARG 66 Ca -0.01 -0.01 0.00 0.00 -1.93 0.00 0.00 57.85 55.91 1c20 n ARG 66 Cb 0.37 -1.64 0.00 0.00 -1.16 0.00 0.00 32.46 30.03 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 1.37 1.19 0.00 -0.13 0.00 0.23 -4.92 105.19 102.93 1c20 n GLY 67 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 4.47 0.35 -0.02 0.00 -1.16 -4.76 105.19 104.07 1c20 n GLY 68 Ca 0.00 -1.22 -0.01 0.00 0.00 0.00 0.00 46.02 44.79 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 1.02 -0.98 0.99 5.85 -1.96 0.66 115.31 120.89 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 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 40.75 1c20 h LEU 69 CO 0.00 0.70 0.64 0.58 -0.34 0.00 0.00 178.44 180.03 1c20 h VAL 70 N 1.19 1.25 -0.11 1.05 2.07 -1.96 -0.44 116.25 119.30 1c20 h VAL 70 Ca 0.37 -0.46 -0.09 0.00 0.82 0.00 0.00 66.70 67.34 1c20 h VAL 70 Cb -0.02 -0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 29.55 1c20 h VAL 70 CO -0.11 0.24 -0.32 0.44 0.02 0.00 0.00 177.57 177.84 1c20 h ASP 71 N 1.33 0.21 -0.25 0.57 3.32 -1.42 -1.94 116.42 118.23 1c20 h ASP 71 Ca 0.36 -0.07 -0.10 0.00 0.02 0.00 0.00 57.03 57.23 1c20 h ASP 71 Cb -0.15 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.34 1c20 h ASP 71 CO -0.08 0.53 -0.24 0.58 -1.72 0.00 0.00 179.24 178.31 1c20 h VAL 72 N 0.19 1.31 0.08 -1.35 2.07 0.60 -2.34 116.25 116.82 1c20 h VAL 72 Ca 0.03 -1.41 -0.00 0.00 0.82 0.00 0.00 66.70 66.13 1c20 h VAL 72 Cb 0.66 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 32.09 1c20 h VAL 72 CO 0.05 0.44 -0.04 0.40 0.02 0.00 0.00 177.57 178.44 1c20 h ILE 73 N 0.31 1.19 -0.99 4.57 2.04 -1.05 0.14 117.51 123.72 1c20 h ILE 73 Ca 0.04 -1.18 0.01 0.00 1.00 0.00 0.00 64.86 64.73 1c20 h ILE 73 Cb 0.80 1.93 -0.05 0.00 -0.74 0.00 0.00 36.82 38.76 1c20 h ILE 73 CO 0.06 0.28 0.66 -0.55 0.00 0.00 0.00 178.15 178.60 1c20 h ASN 74 N -0.66 1.14 0.33 1.72 -1.07 -1.46 0.25 115.58 115.83 1c20 h ASN 74 Ca -0.01 -0.03 0.00 0.00 0.07 0.00 0.00 56.30 56.33 1c20 h ASN 74 Cb 0.54 -0.28 0.00 0.00 -2.07 0.00 0.00 38.32 36.51 1c20 h ASN 74 CO 0.02 0.82 -0.08 0.29 0.07 0.00 0.00 177.43 178.55 1c20 n LYS 75 N -4.39 0.73 -3.56 4.14 4.76 -0.88 -4.44 118.16 114.53 1c20 n LYS 75 Ca 0.12 -0.21 -0.21 0.00 -2.87 0.00 0.00 58.31 55.13 1c20 n LYS 75 Cb 0.02 -1.50 0.05 0.00 -1.84 0.00 0.00 35.03 31.76 1c20 n LYS 75 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1c20 n LYS 76 N -0.95 -3.70 -0.75 1.97 5.02 0.08 -4.89 118.16 114.94 1c20 n LYS 76 Ca 0.16 0.67 0.08 0.00 -2.02 0.00 0.00 58.31 57.20 1c20 n LYS 76 Cb 0.26 -5.19 0.38 0.00 -0.02 0.00 0.00 35.03 30.46 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 -3.99 5.19 0.28 -0.35 4.77 0.33 -4.41 117.00 118.82 1c20 n LEU 77 Ca -0.20 -2.63 0.12 0.00 -0.03 0.00 0.00 56.01 53.27 1c20 n LEU 77 Cb 0.65 -0.63 0.80 0.00 -2.33 0.00 0.00 43.42 41.90 1c20 n LEU 77 CO 0.65 0.71 1.10 -0.50 -1.33 0.00 0.00 177.39 178.03 1c20 h TRP 78 N 4.01 0.00 -1.01 -1.77 4.06 -1.90 -1.90 115.95 117.44 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 1.69 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 29.80 1c20 h TRP 78 CO 0.92 0.00 0.67 1.96 -3.56 0.00 0.00 178.44 178.43 1c20 h GLN 79 N 0.00 1.32 0.01 0.49 7.50 -1.96 0.54 115.11 123.00 1c20 h GLN 79 Ca 0.00 -0.08 0.00 0.00 0.50 0.00 0.00 58.65 59.07 1c20 h GLN 79 Cb 0.01 -0.30 -0.00 0.00 0.05 0.00 0.00 27.48 27.24 1c20 h GLN 79 CO -0.00 0.87 -0.01 1.49 -1.50 0.00 0.00 178.83 179.69 1c20 h GLU 80 N 1.36 -0.01 0.00 1.46 4.57 -1.69 0.87 114.58 121.14 1c20 h GLU 80 Ca 0.37 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.55 1c20 h GLU 80 Cb -0.14 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.45 1c20 h GLU 80 CO -0.08 -0.01 -0.00 0.82 -1.18 0.00 0.00 179.01 178.56 1c20 h ILE 81 N -0.01 1.11 -0.08 2.32 2.04 -1.54 -0.83 117.51 120.52 1c20 h ILE 81 Ca 0.00 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.51 1c20 h ILE 81 Cb 0.01 1.35 -0.00 0.00 -0.74 0.00 0.00 36.82 37.44 1c20 h ILE 81 CO -0.00 0.09 0.05 0.40 0.00 0.00 0.00 178.15 178.69 1c20 h ILE 82 N -0.16 1.02 0.00 -0.67 2.04 -0.71 -1.26 117.51 117.78 1c20 h ILE 82 Ca -0.00 -0.05 -0.00 0.00 1.00 0.00 0.00 64.86 65.81 1c20 h ILE 82 Cb 0.15 0.92 -0.00 0.00 -0.74 0.00 0.00 36.82 37.15 1c20 h ILE 82 CO 0.00 0.02 -0.00 0.50 0.00 0.00 0.00 178.15 178.67 1c20 h LYS 83 N 0.10 0.00 0.11 2.37 3.64 0.85 -3.04 116.57 120.60 1c20 h LYS 83 Ca 0.03 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1c20 h LYS 83 Cb -0.01 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 1c20 h LYS 83 CO -0.01 0.00 -0.15 0.78 -2.27 0.00 0.00 179.45 177.80 1c20 h GLY 84 N 0.02 -0.99 -5.00 5.01 0.00 0.10 -3.45 103.07 98.76 1c20 h GLY 84 Ca -0.00 0.45 -0.07 0.00 0.00 0.00 0.00 47.33 47.71 1c20 h GLY 84 CO 0.00 -0.34 0.24 1.47 0.00 0.00 0.00 176.54 177.91 1c20 n LEU 85 N -3.28 -1.01 -1.25 3.11 -0.00 -1.16 -5.02 117.00 108.40 1c20 n LEU 85 Ca -0.03 -1.52 -0.04 0.00 -0.00 0.00 0.00 56.01 54.42 1c20 n LEU 85 Cb 0.13 0.99 0.12 0.00 -0.00 0.00 0.00 43.42 44.67 1c20 n LEU 85 CO 0.07 1.20 0.26 1.41 -0.00 0.00 0.00 177.39 180.32 1c20 n HIS 86 N -0.12 0.95 -3.51 1.47 8.25 -1.18 -4.88 115.22 116.20 1c20 n HIS 86 Ca -0.23 -1.68 -0.27 0.00 -0.26 0.00 0.00 57.72 55.29 1c20 n HIS 86 Cb 0.67 -0.27 -0.10 0.00 1.12 0.00 0.00 29.99 31.41 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 -0.82 0.89 -1.45 2.41 4.77 -1.26 -4.77 117.00 116.77 1c20 n LEU 87 Ca 0.25 -4.73 0.00 0.00 -0.03 0.00 0.00 56.01 51.50 1c20 n LEU 87 Cb 0.83 0.11 0.00 0.00 -2.33 0.00 0.00 43.42 42.02 1c20 n LEU 87 CO 0.11 1.88 0.23 -0.81 -1.33 0.00 0.00 177.39 177.46 1c20 n PRO 88 N 2.25 0.30 -1.29 3.23 -0.05 -1.26 -4.60 135.00 133.58 1c20 n PRO 88 Ca 0.26 0.00 -0.10 0.00 -0.05 0.00 0.00 63.50 63.61 1c20 n PRO 88 Cb 0.45 -1.35 -0.04 0.00 -0.05 0.00 0.00 33.50 32.50 1c20 n PRO 88 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 175.50 175.90 1c20 n SER 89 N 1.38 -2.60 0.00 3.54 2.88 -1.26 -4.63 113.62 112.93 1c20 n SER 89 Ca 0.00 0.24 0.00 0.00 -1.33 0.00 0.00 58.87 57.78 1c20 n SER 89 Cb 0.15 -2.56 0.00 0.00 -0.75 0.00 0.00 64.21 61.05 1c20 n SER 89 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1c20 n SER 90 N -0.13 3.95 -3.89 -3.46 7.64 -1.26 -5.02 113.62 111.46 1c20 n SER 90 Ca -0.10 -0.07 -0.19 0.00 1.01 0.00 0.00 58.87 59.51 1c20 n SER 90 Cb 0.32 0.94 -0.16 0.00 -1.01 0.00 0.00 64.21 64.30 1c20 n SER 90 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1c20 s ILE 91 N -1.73 0.49 -0.32 0.44 1.09 -1.26 -5.02 121.20 114.89 1c20 s ILE 91 Ca 0.00 -0.10 0.09 0.00 -1.10 0.00 0.00 60.65 59.54 1c20 s ILE 91 Cb 0.00 -0.52 0.58 0.00 -1.06 0.00 0.00 42.46 41.46 1c20 s ILE 91 CO 0.00 0.21 1.61 0.35 -0.10 0.00 0.00 174.94 177.02 1c20 n THR 92 N 4.02 2.73 -2.61 2.92 -2.24 -1.26 -4.43 114.28 113.42 1c20 n THR 92 Ca -0.26 -2.32 0.00 0.00 -2.27 0.00 0.00 64.05 59.21 1c20 n THR 92 Cb 0.51 -0.35 0.04 0.00 -2.10 0.00 0.00 70.33 68.42 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 -0.95 0.69 0.06 3.42 2.88 -1.26 -4.91 113.62 113.54 1c20 n SER 93 Ca 0.39 -2.04 0.05 0.00 -1.33 0.00 0.00 58.87 55.95 1c20 n SER 93 Cb 1.22 -0.18 0.47 0.00 -0.75 0.00 0.00 64.21 64.97 1c20 n SER 93 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1c20 h ALA 94 N 1.55 1.77 -0.09 -1.46 0.00 -1.86 -2.64 119.26 116.53 1c20 h ALA 94 Ca -0.26 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.66 1c20 h ALA 94 Cb 1.51 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 19.13 1c20 h ALA 94 CO 0.05 0.22 -0.15 0.00 0.00 0.00 0.00 179.25 179.37 1c20 h ALA 95 N 1.80 -0.10 -0.79 0.00 0.00 -1.92 0.24 119.26 118.48 1c20 h ALA 95 Ca 0.12 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1c20 h ALA 95 Cb -0.05 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 1c20 h ALA 95 CO -0.03 -0.61 0.51 0.35 0.00 0.00 0.00 179.25 179.47 1c20 h PHE 96 N -0.20 1.01 -0.38 0.00 3.57 -1.89 -1.90 116.94 117.15 1c20 h PHE 96 Ca 0.08 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.51 1c20 h PHE 96 Cb 0.32 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 38.71 1c20 h PHE 96 CO -0.25 0.65 -0.11 1.15 -2.23 0.00 0.00 178.31 177.53 1c20 h THR 97 N 1.08 1.28 0.19 4.41 2.02 -1.19 -2.68 112.91 118.02 1c20 h THR 97 Ca 0.29 -1.19 -0.01 0.00 0.77 0.00 0.00 66.41 66.27 1c20 h THR 97 Cb -0.10 1.27 0.00 0.00 -1.74 0.00 0.00 68.15 67.58 1c20 h THR 97 CO -0.06 0.40 -0.09 -0.07 0.37 0.00 0.00 175.52 176.07 1c20 h LEU 98 N 0.54 -0.21 -1.00 2.58 3.38 -0.29 -1.85 115.31 118.44 1c20 h LEU 98 Ca 0.09 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 57.93 1c20 h LEU 98 Cb 0.63 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.38 1c20 h LEU 98 CO 0.04 0.02 0.66 0.08 0.09 0.00 0.00 178.44 179.33 1c20 h ARG 99 N -0.44 1.33 0.01 1.13 0.11 -1.41 -2.22 114.38 112.89 1c20 h ARG 99 Ca -0.03 -0.08 -0.08 0.00 0.10 0.00 0.00 59.98 59.89 1c20 h ARG 99 Cb 0.34 -0.30 0.01 0.00 1.11 0.00 0.00 29.97 31.13 1c20 h ARG 99 CO 0.04 0.88 -0.31 0.00 0.10 0.00 0.00 179.97 180.68 1c20 h THR 100 N 1.36 1.54 -0.94 0.08 1.03 -1.46 -2.66 112.91 111.87 1c20 h THR 100 Ca 0.37 -2.03 0.01 0.00 -0.01 0.00 0.00 66.41 64.75 1c20 h THR 100 Cb -0.15 2.81 -0.05 0.00 -1.07 0.00 0.00 68.15 69.69 1c20 h THR 100 CO -0.08 0.56 0.61 1.56 -0.01 0.00 0.00 175.52 178.16 1c20 h GLN 101 N -0.47 1.25 -0.19 0.00 4.20 -1.33 0.62 115.11 119.19 1c20 h GLN 101 Ca -0.04 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.58 1c20 h GLN 101 Cb 1.08 -0.28 -0.01 0.00 0.30 0.00 0.00 27.48 28.58 1c20 h GLN 101 CO 0.06 0.84 0.13 -0.92 -0.67 0.00 0.00 178.83 178.27 1c20 h TYR 102 N 1.28 0.24 -0.41 2.96 5.03 -1.48 -2.02 116.97 122.57 1c20 h TYR 102 Ca 0.34 0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.64 1c20 h TYR 102 Cb -0.12 -0.08 -0.02 0.00 1.55 0.00 0.00 36.73 38.06 1c20 h TYR 102 CO -0.00 0.15 0.19 1.98 -1.32 0.00 0.00 178.16 179.16 1c20 h MET 103 N 0.26 0.57 -1.01 1.82 4.05 -0.98 0.80 114.93 120.45 1c20 h MET 103 Ca 0.07 -0.06 0.01 0.00 -0.28 0.00 0.00 59.70 59.44 1c20 h MET 103 Cb -0.03 -0.11 -0.05 0.00 -0.80 0.00 0.00 31.60 30.61 1c20 h MET 103 CO -0.02 0.45 0.67 -0.22 0.23 0.00 0.00 176.91 178.02 1c20 h LYS 104 N 0.57 1.33 0.00 0.39 1.63 -0.14 -3.36 116.57 116.99 1c20 h LYS 104 Ca 0.15 -0.08 0.00 0.00 -0.85 0.00 0.00 60.65 59.87 1c20 h LYS 104 Cb 0.07 -0.30 0.00 0.00 -0.60 0.00 0.00 32.23 31.40 1c20 h LYS 104 CO -0.02 0.88 0.00 0.66 -3.45 0.00 0.00 179.45 177.52 1c20 n TYR 105 N -4.38 0.00 -0.01 1.91 4.01 -1.11 -4.88 117.16 112.70 1c20 n TYR 105 Ca 0.12 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.94 1c20 n TYR 105 Cb 0.01 0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 38.90 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 -0.08 0.00 -0.09 7.72 4.77 0.27 -4.22 117.00 125.37 1c20 n LEU 106 Ca 0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.88 1c20 n LEU 106 Cb 0.00 0.02 0.04 0.00 -2.33 0.00 0.00 43.42 41.15 1c20 n LEU 106 CO 0.00 0.02 0.61 0.22 -1.33 0.00 0.00 177.39 176.91 1c20 h TYR 107 N 0.00 0.97 -0.43 -1.77 3.20 -1.40 0.12 116.97 117.65 1c20 h TYR 107 Ca -0.02 -0.26 -0.13 0.00 3.14 0.00 0.00 58.73 61.45 1c20 h TYR 107 Cb 0.91 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.96 1c20 h TYR 107 CO 0.00 1.04 -0.24 -1.00 -1.64 0.00 0.00 178.16 176.32 1c20 h PRO 108 N 0.69 0.89 -0.12 1.82 0.14 -1.82 -1.29 132.00 132.31 1c20 h PRO 108 Ca 0.07 -0.39 -0.02 0.00 0.14 0.00 0.00 66.00 65.80 1c20 h PRO 108 Cb 0.88 -0.03 -0.00 0.00 0.14 0.00 0.00 31.00 31.99 1c20 h PRO 108 CO 0.08 1.04 -0.01 -0.92 0.14 0.00 0.00 178.00 178.33 1c20 h TYR 109 N 0.77 0.24 -0.35 1.56 3.20 -1.70 0.10 116.97 120.78 1c20 h TYR 109 Ca 0.10 -0.04 0.05 0.00 3.14 0.00 0.00 58.73 61.97 1c20 h TYR 109 Cb 0.80 -0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.96 1c20 h TYR 109 CO 0.05 0.48 0.10 1.49 -1.64 0.00 0.00 178.16 178.64 1c20 h GLU 110 N -0.07 0.23 -0.77 1.82 4.81 -0.68 -1.51 114.58 118.42 1c20 h GLU 110 Ca 0.03 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.21 1c20 h GLU 110 Cb 0.39 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.68 1c20 h GLU 110 CO 0.01 0.15 0.31 0.00 -0.73 0.00 0.00 179.01 178.75 1c20 h GLU 112 N 1.12 -0.00 -0.19 0.00 4.81 0.16 2.81 114.58 123.30 1c20 h GLU 112 Ca 0.26 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 59.27 1c20 h GLU 112 Cb 0.20 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.59 1c20 h GLU 112 CO -0.02 0.06 -0.73 0.87 -0.73 0.00 0.00 179.01 178.45 1c20 h LYS 113 N -0.06 0.82 0.00 1.92 1.57 -1.23 -3.38 116.57 116.21 1c20 h LYS 113 Ca -0.00 -0.64 0.00 0.00 -1.87 0.00 0.00 60.65 58.14 1c20 h LYS 113 Cb 0.06 0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.49 1c20 h LYS 113 CO 0.00 1.25 -0.73 1.63 -0.57 0.00 0.00 179.45 181.03 1c20 n LYS 114 N -3.95 2.53 -3.88 3.15 5.02 -0.28 -5.02 118.16 115.72 1c20 n LYS 114 Ca -0.07 -0.02 -0.24 0.00 -2.02 0.00 0.00 58.31 55.96 1c20 n LYS 114 Cb 0.72 -0.90 -0.01 0.00 -0.02 0.00 0.00 35.03 34.83 1c20 n LYS 114 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1c20 n ASN 115 N -1.39 -0.53 -0.32 4.39 4.05 0.94 -4.84 115.26 117.56 1c20 n ASN 115 Ca -0.00 -0.95 -0.04 0.00 0.45 0.00 0.00 54.58 54.03 1c20 n ASN 115 Cb 0.07 -3.35 0.09 0.00 1.23 0.00 0.00 39.78 37.81 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 -1.84 1.12 -7.77 1.20 3.38 -1.79 -3.47 115.31 106.14 1c20 h LEU 116 Ca -0.63 -0.12 0.15 0.00 0.09 0.00 0.00 57.88 57.38 1c20 h LEU 116 Cb 1.37 -0.29 -0.06 0.00 0.09 0.00 0.00 40.66 41.77 1c20 h LEU 116 CO 0.61 0.92 0.47 -0.94 0.09 0.00 0.00 178.44 179.59 1c20 s SER 117 N -6.27 -0.14 0.22 -0.43 1.04 -1.26 -5.06 113.70 101.80 1c20 s SER 117 Ca -0.13 -0.53 0.09 0.00 0.48 0.00 0.00 55.95 55.87 1c20 s SER 117 Cb 0.17 0.54 -0.04 0.00 0.10 0.00 0.00 66.02 66.78 1c20 s SER 117 CO 0.83 -1.02 -0.07 0.42 0.98 0.00 0.00 173.24 174.38 1c20 s THR 118 N -3.06 3.21 0.64 2.02 -4.23 -1.26 -4.92 115.64 108.04 1c20 s THR 118 Ca 0.14 -1.81 0.22 0.00 -1.18 0.00 0.00 61.69 59.06 1c20 s THR 118 Cb -0.02 -2.64 0.27 0.00 1.34 0.00 0.00 72.50 71.44 1c20 s THR 118 CO 0.04 -0.23 1.61 -0.65 -0.54 0.00 0.00 174.62 174.85 1c20 h PRO 119 N 2.50 0.00 0.53 3.99 0.10 -2.02 -0.66 132.00 136.44 1c20 h PRO 119 Ca -0.45 0.00 -0.03 0.00 0.10 0.00 0.00 66.00 65.62 1c20 h PRO 119 Cb 1.22 0.00 0.01 0.00 0.10 0.00 0.00 31.00 32.33 1c20 h PRO 119 CO 0.57 0.00 -0.25 0.00 0.10 0.00 0.00 178.00 178.42 1c20 h ALA 120 N 0.94 -0.71 -0.14 -0.75 0.00 -1.99 -1.93 119.26 114.69 1c20 h ALA 120 Ca 0.13 -0.17 -0.17 0.00 0.00 0.00 0.00 54.91 54.70 1c20 h ALA 120 Cb 1.46 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.52 1c20 h ALA 120 CO -0.00 -0.67 -0.63 1.05 0.00 0.00 0.00 179.25 179.00 1c20 h GLU 121 N -1.15 0.49 -0.12 0.00 4.11 -1.74 -2.75 114.58 113.41 1c20 h GLU 121 Ca -0.07 -0.34 0.00 0.00 0.07 0.00 0.00 59.36 59.02 1c20 h GLU 121 Cb 0.57 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 1c20 h GLU 121 CO 0.12 0.96 0.08 1.25 0.07 0.00 0.00 179.01 181.48 1c20 h LEU 122 N 0.36 0.14 -1.05 3.06 5.85 -1.24 -0.77 115.31 121.64 1c20 h LEU 122 Ca -0.01 -0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.75 1c20 h LEU 122 Cb 1.18 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 42.11 1c20 h LEU 122 CO 0.11 0.10 0.64 -0.61 -0.34 0.00 0.00 178.44 178.34 1c20 h GLN 123 N 0.16 1.16 -0.72 1.25 4.15 -1.32 0.15 115.11 119.94 1c20 h GLN 123 Ca 0.04 -0.07 0.02 0.00 0.77 0.00 0.00 58.65 59.42 1c20 h GLN 123 Cb -0.02 -0.26 -0.04 0.00 0.21 0.00 0.00 27.48 27.37 1c20 h GLN 123 CO -0.01 0.77 0.48 0.00 -1.93 0.00 0.00 178.83 178.13 1c20 h ALA 124 N 1.45 1.54 -0.26 3.38 0.00 -1.00 0.83 119.26 125.20 1c20 h ALA 124 Ca 0.40 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.22 1c20 h ALA 124 Cb 0.06 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1c20 h ALA 124 CO -0.13 0.40 -0.03 0.00 0.00 0.00 0.00 179.25 179.49 1c20 h ALA 125 N 1.57 0.35 -0.04 0.00 0.00 0.64 0.92 119.26 122.70 1c20 h ALA 125 Ca 0.28 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1c20 h ALA 125 Cb -0.01 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1c20 h ALA 125 CO -0.07 0.11 0.00 0.82 0.00 0.00 0.00 179.25 180.11 1c20 h ILE 126 N 0.24 1.25 -0.21 0.00 2.04 -0.36 -0.33 117.51 120.14 1c20 h ILE 126 Ca 0.07 -0.75 -0.21 0.00 1.00 0.00 0.00 64.86 64.97 1c20 h ILE 126 Cb 0.47 1.67 0.01 0.00 -0.74 0.00 0.00 36.82 38.22 1c20 h ILE 126 CO 0.02 0.20 -0.68 -2.24 0.00 0.00 0.00 178.15 175.45 1c20 h ASP 127 N -0.21 0.95 0.27 1.72 2.03 -0.90 -2.33 116.42 117.94 1c20 h ASP 127 Ca 0.01 -0.57 0.00 0.00 -0.73 0.00 0.00 57.03 55.74 1c20 h ASP 127 Cb 0.32 -0.28 0.00 0.00 -0.83 0.00 0.00 39.33 38.55 1c20 h ASP 127 CO 0.00 1.37 0.00 0.61 -1.03 0.00 0.00 179.24 180.20 1c20 n GLY 128 N 0.56 -0.75 2.44 7.15 0.00 0.32 -4.77 105.19 110.13 1c20 n GLY 128 Ca -0.06 -0.06 -0.17 0.00 0.00 0.00 0.00 46.02 45.72 1c20 n GLY 128 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1c20 n ASN 129 N -1.30 -5.04 0.00 1.61 5.03 -0.77 -5.03 115.26 109.75 1c20 n ASN 129 Ca 0.06 0.07 0.00 0.00 0.87 0.00 0.00 54.58 55.58 1c20 n ASN 129 Cb 0.11 -4.22 0.00 0.00 -1.02 0.00 0.00 39.78 34.65 1c20 n ASN 129 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.26 174.29