#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2uua h ARG 3 N 0.00 0.38 0.06 0.00 2.43 -2.08 -3.38 114.38 111.79 2uua h ARG 3 Ca 0.00 -0.36 -0.10 0.00 -0.81 0.00 0.00 59.98 58.71 2uua h ARG 3 Cb 0.00 0.09 0.01 0.00 -0.42 0.00 0.00 29.97 29.65 2uua h ARG 3 CO 0.00 1.03 -0.41 -0.09 -1.51 0.00 0.00 179.97 178.99 2uua h ARG 4 N 0.23 0.17 -1.98 0.20 2.43 -2.12 -3.48 114.38 109.83 2uua h ARG 4 Ca -0.05 -0.27 -0.04 0.00 -0.81 0.00 0.00 59.98 58.81 2uua h ARG 4 Cb 1.45 0.09 -0.20 0.00 -0.42 0.00 0.00 29.97 30.89 2uua h ARG 4 CO 0.14 1.09 0.18 0.50 -1.51 0.00 0.00 179.97 180.37 2uua s ARG 5 N -2.51 0.93 -0.42 0.20 3.00 -1.26 -5.12 118.95 113.77 2uua s ARG 5 Ca -0.16 0.62 -0.40 0.00 -1.00 0.00 0.00 55.73 54.80 2uua s ARG 5 Cb -0.00 0.44 -0.15 0.00 0.00 0.00 0.00 34.95 35.24 2uua s ARG 5 CO 0.76 -0.21 2.15 -2.13 0.00 0.00 0.00 175.30 175.88 2uua n ARG 6 N 1.80 0.57 -1.49 5.12 0.63 -1.26 -4.86 116.66 117.17 2uua n ARG 6 Ca -0.16 0.16 -0.42 0.00 -0.92 0.00 0.00 57.85 56.51 2uua n ARG 6 Cb 0.56 -2.00 0.01 0.00 0.45 0.00 0.00 32.46 31.48 2uua n ARG 6 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2uua n ALA 7 N 8.59 -1.16 -2.69 5.13 0.00 -1.26 -4.91 120.51 124.20 2uua n ALA 7 Ca 0.47 0.20 -0.41 0.00 0.00 0.00 0.00 53.44 53.69 2uua n ALA 7 Cb 0.10 -1.84 -0.04 0.00 0.00 0.00 0.00 19.45 17.67 2uua n ALA 7 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2uua s GLU 8 N -1.65 4.39 -0.50 0.00 2.02 -1.26 -4.94 118.70 116.76 2uua s GLU 8 Ca 0.63 1.12 -0.26 0.00 0.02 0.00 0.00 54.97 56.48 2uua s GLU 8 Cb -0.61 -3.52 -0.07 0.00 0.10 0.00 0.00 34.13 30.03 2uua s GLU 8 CO 0.58 -0.20 2.38 0.08 0.02 0.00 0.00 175.26 178.11 2uua s VAL 9 N 1.66 3.03 -0.37 2.63 1.01 -1.26 -4.80 120.40 122.30 2uua s VAL 9 Ca 0.42 0.02 -0.37 0.00 0.00 0.00 0.00 61.98 62.04 2uua s VAL 9 Cb -0.18 -3.07 -0.13 0.00 0.00 0.00 0.00 36.38 33.00 2uua s VAL 9 CO 0.17 -0.07 2.14 -1.14 0.00 0.00 0.00 175.10 176.20 2uua n ARG 10 N 9.02 0.89 -2.22 2.72 0.63 -1.26 -4.90 116.66 121.54 2uua n ARG 10 Ca 0.36 0.25 -0.39 0.00 -0.92 0.00 0.00 57.85 57.15 2uua n ARG 10 Cb 0.55 -2.25 -0.02 0.00 0.45 0.00 0.00 32.46 31.19 2uua n ARG 10 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 2uua s GLN 11 N 5.93 4.07 0.36 -0.14 2.00 -1.26 -5.05 119.66 125.57 2uua s GLN 11 Ca 1.10 1.94 0.08 0.00 -2.00 0.00 0.00 55.36 56.49 2uua s GLN 11 Cb -1.00 -2.74 -0.03 0.00 0.80 0.00 0.00 33.01 30.04 2uua s GLN 11 CO 0.54 -0.34 0.26 -0.51 -0.50 0.00 0.00 175.29 174.74 2uua s LEU 12 N -2.40 3.41 -0.13 3.68 1.43 -1.26 -5.10 118.68 118.32 2uua s LEU 12 Ca 0.56 -0.68 -0.29 0.00 -1.03 0.00 0.00 54.13 52.69 2uua s LEU 12 Cb -0.33 -1.98 -0.01 0.00 0.03 0.00 0.00 46.19 43.90 2uua s LEU 12 CO 0.42 -0.43 0.97 -1.10 0.23 0.00 0.00 176.35 176.44 2uua s GLN 13 N -3.98 4.39 0.53 1.70 -1.52 -1.26 -4.97 119.66 114.54 2uua s GLN 13 Ca 0.42 1.31 -0.22 0.00 -1.95 0.00 0.00 55.36 54.92 2uua s GLN 13 Cb -0.03 -3.55 -0.06 0.00 -0.22 0.00 0.00 33.01 29.14 2uua s GLN 13 CO 0.25 -0.33 1.23 -0.35 -0.25 0.00 0.00 175.29 175.84 2uua n PRO 14 N 5.12 1.50 -1.07 2.91 -0.04 -1.26 -4.68 135.00 137.48 2uua n PRO 14 Ca 0.08 0.55 -0.35 0.00 -0.04 0.00 0.00 63.50 63.74 2uua n PRO 14 Cb 0.49 -2.41 0.07 0.00 -0.04 0.00 0.00 33.50 31.61 2uua n PRO 14 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2uua n ASP 15 N -0.67 -2.62 -0.10 3.54 4.64 -0.46 -4.76 116.55 116.12 2uua n ASP 15 Ca 0.11 0.44 0.11 0.00 -1.38 0.00 0.00 54.79 54.06 2uua n ASP 15 Cb 0.44 -1.09 -0.01 0.00 -1.04 0.00 0.00 41.12 39.42 2uua n ASP 15 CO 0.00 0.00 0.00 0.18 -0.82 0.00 0.00 177.20 176.56 2uua n LEU 16 N 0.39 1.10 0.00 -2.67 7.99 -1.26 -2.13 117.00 120.43 2uua n LEU 16 Ca 0.07 -0.45 0.00 0.00 -0.01 0.00 0.00 56.01 55.62 2uua n LEU 16 Cb 0.52 -0.05 0.00 0.00 -0.11 0.00 0.00 43.42 43.78 2uua n LEU 16 CO 0.51 0.25 -0.24 0.52 -1.51 0.00 0.00 177.39 176.92 2uua n VAL 17 N -1.18 0.00 -0.55 4.08 0.31 -1.26 -4.75 118.33 114.98 2uua n VAL 17 Ca 0.06 -0.22 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 2uua n VAL 17 Cb 0.36 0.72 0.00 0.00 -0.91 0.00 0.00 33.84 34.01 2uua n VAL 17 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 2uua n TYR 18 N -1.17 0.00 -1.44 3.52 4.02 -1.26 -4.99 117.16 115.83 2uua n TYR 18 Ca 0.00 0.00 -0.16 0.00 -0.01 0.00 0.00 57.90 57.73 2uua n TYR 18 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.25 2uua n TYR 18 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2uua n GLY 19 N 0.03 1.48 3.70 2.72 0.00 -0.90 -4.83 105.19 107.39 2uua n GLY 19 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 2uua n GLY 19 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2uua s ASP 20 N -2.34 6.41 0.20 1.61 -1.08 -1.26 -3.99 116.67 116.22 2uua s ASP 20 Ca 0.00 0.48 -0.03 0.00 -0.52 0.00 0.00 52.55 52.49 2uua s ASP 20 Cb 0.00 -2.20 0.13 0.00 -1.46 0.00 0.00 42.92 39.39 2uua s ASP 20 CO 0.00 0.02 1.51 -0.37 0.52 0.00 0.00 175.17 176.86 2uua h VAL 21 N 4.85 1.32 -0.35 1.11 -1.51 -1.90 -1.17 116.25 118.60 2uua h VAL 21 Ca -0.39 -1.79 0.02 0.00 -1.23 0.00 0.00 66.70 63.32 2uua h VAL 21 Cb 1.16 1.76 -0.02 0.00 -2.13 0.00 0.00 31.29 32.07 2uua h VAL 21 CO 0.73 0.55 0.23 0.25 -1.23 0.00 0.00 177.57 178.11 2uua h LEU 22 N 0.42 0.34 -0.25 4.19 5.85 -1.93 -0.71 115.31 123.23 2uua h LEU 22 Ca 0.01 -0.01 -0.17 0.00 0.84 0.00 0.00 57.88 58.56 2uua h LEU 22 Cb 1.08 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.03 2uua h LEU 22 CO 0.10 0.24 -0.49 0.58 -0.34 0.00 0.00 178.44 178.53 2uua h VAL 23 N 0.40 1.30 -0.11 1.05 2.07 -1.93 -1.98 116.25 117.05 2uua h VAL 23 Ca 0.14 -1.69 -0.00 0.00 0.82 0.00 0.00 66.70 65.96 2uua h VAL 23 Cb 0.06 1.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 2uua h VAL 23 CO -0.03 0.54 0.06 0.74 0.02 0.00 0.00 177.57 178.90 2uua h THR 24 N 0.51 1.10 -0.77 2.57 2.02 -1.31 0.10 112.91 117.13 2uua h THR 24 Ca 0.01 -0.27 0.09 0.00 0.77 0.00 0.00 66.41 67.01 2uua h THR 24 Cb 1.10 1.07 -0.12 0.00 -1.74 0.00 0.00 68.15 68.46 2uua h THR 24 CO 0.11 0.09 -0.50 0.00 0.37 0.00 0.00 175.52 175.58 2uua h ALA 25 N 0.95 -0.39 -1.00 6.16 0.00 -1.08 0.45 119.26 124.36 2uua h ALA 25 Ca 0.04 0.12 0.06 0.00 0.00 0.00 0.00 54.91 55.13 2uua h ALA 25 Cb 0.08 1.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.95 2uua h ALA 25 CO -0.01 -0.88 0.65 0.35 0.00 0.00 0.00 179.25 179.36 2uua h PHE 26 N -0.14 1.20 -0.16 0.00 3.57 -0.82 -2.14 116.94 118.45 2uua h PHE 26 Ca 0.18 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.73 2uua h PHE 26 Cb 0.52 -0.40 -0.02 0.00 2.79 0.00 0.00 35.95 38.85 2uua h PHE 26 CO -0.85 0.64 0.06 0.82 -2.23 0.00 0.00 178.31 176.75 2uua h ILE 27 N 1.20 0.97 -0.72 1.41 1.08 0.23 -2.50 117.51 119.17 2uua h ILE 27 Ca 0.42 -0.05 0.07 0.00 -0.39 0.00 0.00 64.86 64.91 2uua h ILE 27 Cb 0.12 0.82 -0.06 0.00 -3.07 0.00 0.00 36.82 34.62 2uua h ILE 27 CO -0.16 0.03 0.40 0.78 -0.69 0.00 0.00 178.15 178.51 2uua h ASN 28 N 0.14 0.58 0.05 1.72 2.35 -0.04 0.02 115.58 120.40 2uua h ASN 28 Ca 0.07 0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.84 2uua h ASN 28 Cb 0.04 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 38.33 2uua h ASN 28 CO -0.07 0.36 -0.07 0.11 -1.65 0.00 0.00 177.43 176.11 2uua h LYS 29 N 0.72 0.05 -0.03 0.81 1.79 -1.10 -1.75 116.57 117.06 2uua h LYS 29 Ca 0.33 -0.01 -0.21 0.00 -2.18 0.00 0.00 60.65 58.59 2uua h LYS 29 Cb 0.25 -0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 30.89 2uua h LYS 29 CO -0.21 0.13 -0.86 0.82 -1.08 0.00 0.00 179.45 178.25 2uua h ILE 30 N 0.05 1.41 -3.52 1.86 2.04 -0.63 -3.46 117.51 115.26 2uua h ILE 30 Ca 0.01 -2.37 -0.56 0.00 1.00 0.00 0.00 64.86 62.94 2uua h ILE 30 Cb 0.16 2.32 0.13 0.00 -0.74 0.00 0.00 36.82 38.69 2uua h ILE 30 CO 0.01 0.71 0.45 0.80 0.00 0.00 0.00 178.15 180.11 2uua n MET 31 N -3.76 1.80 -4.25 2.37 1.56 -0.31 -4.93 117.12 109.59 2uua n MET 31 Ca -0.05 0.64 -0.17 0.00 -0.27 0.00 0.00 57.70 57.85 2uua n MET 31 Cb 0.78 -2.35 -0.15 0.00 2.15 0.00 0.00 33.22 33.66 2uua n MET 31 CO 0.00 0.00 0.00 1.03 -0.73 0.00 0.00 175.97 176.27 2uua s ARG 32 N -2.25 0.60 -1.50 2.12 0.52 -1.26 -4.77 118.95 112.40 2uua s ARG 32 Ca 0.62 -0.24 -0.14 0.00 -0.52 0.00 0.00 55.73 55.46 2uua s ARG 32 Cb -0.50 -0.58 0.11 0.00 0.52 0.00 0.00 34.95 34.49 2uua s ARG 32 CO 0.57 0.13 0.73 -0.25 0.02 0.00 0.00 175.30 176.50 2uua n ASP 33 N 3.02 -3.93 -3.18 0.23 8.00 -1.26 -1.40 116.55 118.03 2uua n ASP 33 Ca -0.14 -0.71 -0.21 0.00 0.71 0.00 0.00 54.79 54.43 2uua n ASP 33 Cb 0.57 -3.20 -0.00 0.00 -0.02 0.00 0.00 41.12 38.47 2uua n ASP 33 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2uua n GLY 34 N -1.39 -0.49 2.52 0.44 0.00 -1.26 -4.83 105.19 100.17 2uua n GLY 34 Ca 0.04 0.08 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 2uua n GLY 34 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2uua n LYS 35 N -3.59 4.01 -0.33 1.61 5.02 -0.49 -4.80 118.16 119.60 2uua n LYS 35 Ca -0.04 -3.29 0.24 0.00 -2.02 0.00 0.00 58.31 53.20 2uua n LYS 35 Cb 0.56 -2.46 0.47 0.00 -0.02 0.00 0.00 35.03 33.57 2uua n LYS 35 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2uua h LYS 36 N 4.04 0.07 0.06 1.97 1.63 -1.88 -1.88 116.57 120.58 2uua h LYS 36 Ca 0.59 -0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 60.39 2uua h LYS 36 Cb 0.41 -0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 32.02 2uua h LYS 36 CO 1.27 0.04 -0.04 -0.97 -3.45 0.00 0.00 179.45 176.31 2uua h ASN 37 N 0.07 -0.10 -0.96 4.20 -0.00 -1.99 0.46 115.58 117.25 2uua h ASN 37 Ca 0.74 0.01 0.16 0.00 -0.00 0.00 0.00 56.30 57.21 2uua h ASN 37 Cb 1.79 0.03 -0.16 0.00 -0.00 0.00 0.00 38.32 39.98 2uua h ASN 37 CO -0.78 -0.06 -0.34 0.25 -0.00 0.00 0.00 177.43 176.50 2uua h LEU 38 N -0.10 -1.26 0.00 0.34 5.85 -1.89 0.40 115.31 118.66 2uua h LEU 38 Ca -0.01 0.30 0.00 0.00 0.84 0.00 0.00 57.88 59.01 2uua h LEU 38 Cb 0.08 0.70 -0.00 0.00 0.37 0.00 0.00 40.66 41.80 2uua h LEU 38 CO 0.01 -0.30 -0.02 0.00 -0.34 0.00 0.00 178.44 177.79 2uua h ALA 39 N 1.53 -0.52 -0.97 1.25 0.00 -1.12 0.28 119.26 119.71 2uua h ALA 39 Ca 0.38 -0.00 0.23 0.00 0.00 0.00 0.00 54.91 55.51 2uua h ALA 39 Cb 0.63 0.51 -0.18 0.00 0.00 0.00 0.00 17.79 18.75 2uua h ALA 39 CO -0.97 -0.52 -0.09 0.00 0.00 0.00 0.00 179.25 177.66 2uua h ALA 40 N -1.47 0.91 0.01 0.00 0.00 0.16 -0.95 119.26 117.92 2uua h ALA 40 Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 54.91 55.26 2uua h ALA 40 Cb 0.02 0.65 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 2uua h ALA 40 CO -0.01 -0.48 -0.01 -0.09 0.00 0.00 0.00 179.25 178.66 2uua h ARG 41 N 0.01 -0.02 -0.71 0.00 2.43 0.48 -2.59 114.38 113.97 2uua h ARG 41 Ca 0.53 0.00 0.16 0.00 -0.81 0.00 0.00 59.98 59.86 2uua h ARG 41 Cb 0.97 0.00 -0.13 0.00 -0.42 0.00 0.00 29.97 30.39 2uua h ARG 41 CO -0.94 -0.01 -0.11 -0.89 -1.51 0.00 0.00 179.97 176.50 2uua n ILE 42 N -2.45 -0.30 0.31 1.20 5.41 0.02 -0.95 119.36 122.59 2uua n ILE 42 Ca -0.00 1.61 -0.15 0.00 1.00 0.00 0.00 62.75 65.21 2uua n ILE 42 Cb 0.01 -2.27 -0.08 0.00 -0.71 0.00 0.00 39.64 36.59 2uua n ILE 42 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 176.55 176.70 2uua h PHE 43 N 0.00 -1.05 -0.77 1.39 3.57 -1.09 -0.52 116.94 118.47 2uua h PHE 43 Ca 0.37 -0.01 0.15 0.00 3.53 0.00 0.00 57.97 62.02 2uua h PHE 43 Cb 0.65 0.38 -0.10 0.00 2.79 0.00 0.00 35.95 39.68 2uua h PHE 43 CO -0.48 -0.56 0.30 1.88 -2.23 0.00 0.00 178.31 177.21 2uua h TYR 44 N -0.91 0.50 0.21 0.41 0.99 -0.68 0.37 116.97 117.87 2uua h TYR 44 Ca -0.07 0.04 0.00 0.00 2.00 0.00 0.00 58.73 60.70 2uua h TYR 44 Cb 0.74 -0.10 -0.02 0.00 1.00 0.00 0.00 36.73 38.35 2uua h TYR 44 CO -0.10 0.03 -0.22 -0.44 -0.00 0.00 0.00 178.16 177.43 2uua h ASP 45 N 0.42 -0.60 -0.69 3.88 3.45 -1.14 0.45 116.42 122.18 2uua h ASP 45 Ca 0.43 0.06 0.14 0.00 0.43 0.00 0.00 57.03 58.10 2uua h ASP 45 Cb 0.70 0.21 -0.04 0.00 -0.56 0.00 0.00 39.33 39.63 2uua h ASP 45 CO -0.43 -0.33 0.47 0.00 -1.57 0.00 0.00 179.24 177.38 2uua h ALA 46 N 0.24 2.19 -0.63 3.45 0.00 0.64 0.12 119.26 125.27 2uua h ALA 46 Ca 0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 2uua h ALA 46 Cb 0.45 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 2uua h ALA 46 CO -0.06 -0.37 0.20 0.00 0.00 0.00 0.00 179.25 179.02 2uua h LYS 48 N 0.93 0.53 0.00 0.00 6.56 0.48 -2.54 116.57 122.54 2uua h LYS 48 Ca 0.21 -0.20 0.00 0.00 -1.06 0.00 0.00 60.65 59.60 2uua h LYS 48 Cb 0.26 -0.03 0.00 0.00 -0.57 0.00 0.00 32.23 31.88 2uua h LYS 48 CO -0.01 0.73 0.00 0.82 -2.06 0.00 0.00 179.45 178.93 2uua h ILE 49 N 0.29 0.00 0.14 1.86 2.04 -1.14 0.35 117.51 121.06 2uua h ILE 49 Ca 0.07 -0.02 -0.32 0.00 1.00 0.00 0.00 64.86 65.59 2uua h ILE 49 Cb 0.53 0.78 -0.00 0.00 -0.74 0.00 0.00 36.82 37.39 2uua h ILE 49 CO 0.03 0.00 -1.58 0.40 0.00 0.00 0.00 178.15 177.00 2uua h ILE 50 N 0.00 1.11 0.36 -0.67 1.08 -1.17 -3.29 117.51 114.93 2uua h ILE 50 Ca 0.00 -2.73 -0.02 0.00 -0.39 0.00 0.00 64.86 61.73 2uua h ILE 50 Cb 0.03 2.78 0.00 0.00 -3.07 0.00 0.00 36.82 36.56 2uua h ILE 50 CO 0.00 0.83 -0.17 1.56 -0.69 0.00 0.00 178.15 179.68 2uua h GLN 51 N 0.08 -0.46 0.00 2.37 1.08 -0.07 0.10 115.11 118.21 2uua h GLN 51 Ca -0.27 0.03 0.00 0.00 -1.45 0.00 0.00 58.65 56.97 2uua h GLN 51 Cb 2.04 0.10 0.00 0.00 -0.05 0.00 0.00 27.48 29.58 2uua h GLN 51 CO 0.17 -0.16 0.00 -1.91 -0.95 0.00 0.00 178.83 175.98 2uua n GLU 52 N -5.18 0.37 -0.06 1.46 2.13 0.59 -2.21 120.64 117.73 2uua n GLU 52 Ca -0.10 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.72 2uua n GLU 52 Cb 0.27 -1.16 0.00 0.00 0.27 0.00 0.00 31.44 30.82 2uua n GLU 52 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 2uua n LYS 53 N -0.66 0.00 -3.15 5.31 4.81 -1.13 -5.02 118.16 118.32 2uua n LYS 53 Ca 0.03 -0.42 0.04 0.00 -0.87 0.00 0.00 58.31 57.09 2uua n LYS 53 Cb 0.01 -0.38 -0.01 0.00 0.02 0.00 0.00 35.03 34.68 2uua n LYS 53 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 2uua s THR 54 N 0.00 -0.88 0.03 3.15 2.01 0.01 -4.99 115.64 114.97 2uua s THR 54 Ca 0.00 0.00 0.07 0.00 0.31 0.00 0.00 61.69 62.07 2uua s THR 54 Cb 0.00 -0.98 0.07 0.00 0.01 0.00 0.00 72.50 71.60 2uua s THR 54 CO 0.00 0.00 1.05 0.61 -0.69 0.00 0.00 174.62 175.59 2uua n GLY 55 N 5.43 -0.45 3.82 4.40 0.00 -1.26 -4.32 105.19 112.81 2uua n GLY 55 Ca -0.01 0.07 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 2uua n GLY 55 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2uua s GLN 56 N -3.08 3.97 0.42 1.61 -0.21 -1.26 -5.04 119.66 116.08 2uua s GLN 56 Ca -0.01 1.15 -0.23 0.00 0.02 0.00 0.00 55.36 56.29 2uua s GLN 56 Cb 0.02 -2.13 -0.09 0.00 1.00 0.00 0.00 33.01 31.81 2uua s GLN 56 CO 0.07 -0.26 1.05 -1.21 -2.12 0.00 0.00 175.29 172.81 2uua s GLU 57 N -3.48 4.08 0.08 2.91 2.02 -1.26 -4.43 118.70 118.62 2uua s GLU 57 Ca 0.63 1.47 -0.32 0.00 0.02 0.00 0.00 54.97 56.77 2uua s GLU 57 Cb -0.12 -2.43 -0.16 0.00 0.10 0.00 0.00 34.13 31.52 2uua s GLU 57 CO 0.21 -0.20 1.62 -1.00 0.02 0.00 0.00 175.26 175.90 2uua h PRO 58 N 2.27 -0.79 -0.95 0.39 0.13 -1.91 -2.62 132.00 128.53 2uua h PRO 58 Ca -0.49 0.05 0.28 0.00 -0.87 0.00 0.00 66.00 64.98 2uua h PRO 58 Cb 1.22 0.18 -0.17 0.00 0.13 0.00 0.00 31.00 32.36 2uua h PRO 58 CO 0.62 -0.53 0.20 1.25 -0.23 0.00 0.00 178.00 179.31 2uua h LEU 59 N -0.82 -0.15 0.65 1.56 5.85 -1.93 0.40 115.31 120.87 2uua h LEU 59 Ca -0.05 0.24 -0.03 0.00 0.84 0.00 0.00 57.88 58.88 2uua h LEU 59 Cb 0.69 0.36 -0.01 0.00 0.37 0.00 0.00 40.66 42.07 2uua h LEU 59 CO 0.03 -0.29 -0.43 0.11 -0.34 0.00 0.00 178.44 177.52 2uua h LYS 60 N 0.08 -1.00 -0.31 1.25 1.57 -1.89 -1.42 116.57 114.85 2uua h LYS 60 Ca 0.63 0.07 0.07 0.00 -1.87 0.00 0.00 60.65 59.54 2uua h LYS 60 Cb 1.36 0.23 -0.08 0.00 0.08 0.00 0.00 32.23 33.82 2uua h LYS 60 CO -0.79 -0.66 -0.29 0.28 -0.57 0.00 0.00 179.45 177.41 2uua h VAL 61 N -1.03 0.29 0.00 0.50 2.07 -0.05 -1.32 116.25 116.71 2uua h VAL 61 Ca -0.08 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.44 2uua h VAL 61 Cb 0.84 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 2uua h VAL 61 CO 0.06 0.00 0.00 0.33 0.02 0.00 0.00 177.57 177.98 2uua n PHE 62 N -5.40 0.00 -0.33 1.57 7.35 0.10 -0.03 117.46 120.72 2uua n PHE 62 Ca -0.00 0.00 0.17 0.00 -0.76 0.00 0.00 57.45 56.86 2uua n PHE 62 Cb 0.32 -0.20 0.34 0.00 0.35 0.00 0.00 39.48 40.30 2uua n PHE 62 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 2uua h LYS 63 N 0.00 0.06 -0.65 -4.13 1.57 -1.06 0.43 116.57 112.79 2uua h LYS 63 Ca 0.00 -0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 2uua h LYS 63 Cb 0.00 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 2uua h LYS 63 CO 0.00 0.04 0.07 0.37 -0.57 0.00 0.00 179.45 179.36 2uua h GLN 64 N 0.06 1.11 -0.34 3.15 5.75 -0.42 -0.40 115.11 124.02 2uua h GLN 64 Ca 0.63 -0.31 -0.01 0.00 -0.15 0.00 0.00 58.65 58.81 2uua h GLN 64 Cb 1.38 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 29.79 2uua h GLN 64 CO -0.82 1.03 0.19 0.00 -2.65 0.00 0.00 178.83 176.58 2uua h ALA 65 N 1.04 0.43 -0.31 3.38 0.00 0.35 -1.30 119.26 122.86 2uua h ALA 65 Ca 0.19 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2uua h ALA 65 Cb 0.48 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2uua h ALA 65 CO 0.02 -0.05 0.20 0.28 0.00 0.00 0.00 179.25 179.70 2uua h VAL 66 N 0.43 1.09 -0.88 0.00 2.07 -0.96 -2.18 116.25 115.82 2uua h VAL 66 Ca 0.12 -0.17 0.12 0.00 0.82 0.00 0.00 66.70 67.59 2uua h VAL 66 Cb 0.04 0.65 -0.07 0.00 -1.52 0.00 0.00 31.29 30.40 2uua h VAL 66 CO -0.02 0.08 0.57 -0.08 0.02 0.00 0.00 177.57 178.14 2uua h GLU 67 N 0.41 0.74 0.00 1.57 4.57 -0.62 -1.21 114.58 120.03 2uua h GLU 67 Ca 0.11 -0.04 -0.05 0.00 -1.18 0.00 0.00 59.36 58.20 2uua h GLU 67 Cb -0.03 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 28.38 2uua h GLU 67 CO -0.02 0.49 -0.24 -0.91 -1.18 0.00 0.00 179.01 177.15 2uua h ASN 68 N 0.76 0.00 0.13 1.04 2.35 -0.63 -3.24 115.58 116.00 2uua h ASN 68 Ca 0.43 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.18 2uua h ASN 68 Cb 0.60 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.97 2uua h ASN 68 CO -0.19 0.24 -0.23 0.52 -1.65 0.00 0.00 177.43 176.11 2uua n VAL 69 N -3.33 0.00 -2.48 2.81 0.31 -0.48 -4.88 118.33 110.29 2uua n VAL 69 Ca 0.01 -0.19 -0.43 0.00 -0.01 0.00 0.00 64.34 63.72 2uua n VAL 69 Cb 0.48 0.62 -0.02 0.00 -0.91 0.00 0.00 33.84 34.00 2uua n VAL 69 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2uua s LYS 70 N -2.38 3.76 0.11 5.55 1.02 -1.10 -4.45 119.74 122.25 2uua s LYS 70 Ca 0.26 0.91 -0.31 0.00 0.02 0.00 0.00 55.97 56.85 2uua s LYS 70 Cb 0.19 -3.92 -0.07 0.00 -0.52 0.00 0.00 37.83 33.51 2uua s LYS 70 CO 0.48 -1.33 1.27 -1.25 -0.92 0.00 0.00 175.35 173.60 2uua s PRO 71 N 4.46 4.40 0.01 -1.68 0.04 -1.26 -4.94 135.00 136.03 2uua s PRO 71 Ca 0.54 1.91 -0.00 0.00 0.04 0.00 0.00 61.00 63.49 2uua s PRO 71 Cb -0.12 -3.28 -0.26 0.00 0.04 0.00 0.00 34.50 30.87 2uua s PRO 71 CO 0.28 -0.28 0.89 0.00 0.04 0.00 0.00 177.00 177.92 2uua h ARG 72 N 6.39 0.20 -5.40 4.56 3.08 -1.92 -3.42 114.38 117.87 2uua h ARG 72 Ca -0.43 -0.34 -0.46 0.00 0.07 0.00 0.00 59.98 58.83 2uua h ARG 72 Cb 1.21 0.13 -0.14 0.00 0.08 0.00 0.00 29.97 31.25 2uua h ARG 72 CO 0.81 1.04 -0.67 1.41 -1.07 0.00 0.00 179.97 181.49 2uua s MET 73 N -2.63 1.48 -0.19 0.04 1.75 -1.26 -1.55 119.30 116.94 2uua s MET 73 Ca -0.07 -1.75 -0.29 0.00 -1.25 0.00 0.00 55.69 52.33 2uua s MET 73 Cb 0.07 -1.01 0.13 0.00 2.84 0.00 0.00 34.83 36.86 2uua s MET 73 CO 0.85 0.01 1.03 -1.83 -0.65 0.00 0.00 175.02 174.43 2uua s GLU 74 N -3.76 0.54 -0.18 4.11 -1.05 -0.21 -4.20 118.70 113.95 2uua s GLU 74 Ca 0.29 0.22 -0.21 0.00 -0.15 0.00 0.00 54.97 55.12 2uua s GLU 74 Cb 0.04 0.26 -0.03 0.00 -0.44 0.00 0.00 34.13 33.96 2uua s GLU 74 CO 0.11 -0.15 0.64 0.54 0.95 0.00 0.00 175.26 177.35 2uua s VAL 75 N -0.82 5.02 -0.31 1.83 0.11 -1.26 -0.34 120.40 124.62 2uua s VAL 75 Ca -0.00 1.23 0.03 0.00 -2.93 0.00 0.00 61.98 60.31 2uua s VAL 75 Cb -0.01 -3.96 0.08 0.00 -1.53 0.00 0.00 36.38 30.96 2uua s VAL 75 CO -0.01 0.13 -0.00 -0.60 -3.33 0.00 0.00 175.10 171.29 2uua s ARG 76 N 1.78 1.83 0.24 1.54 3.52 0.24 -4.86 118.95 123.23 2uua s ARG 76 Ca 0.30 -1.65 -0.31 0.00 -0.13 0.00 0.00 55.73 53.93 2uua s ARG 76 Cb -0.16 -3.12 -0.13 0.00 -1.56 0.00 0.00 34.95 29.99 2uua s ARG 76 CO 0.11 -0.80 1.57 0.45 -0.81 0.00 0.00 175.30 175.82 2uua n SER 77 N 4.35 3.45 -3.66 -2.12 2.88 -1.26 -2.77 113.62 114.50 2uua n SER 77 Ca -0.04 1.12 -0.08 0.00 -1.33 0.00 0.00 58.87 58.54 2uua n SER 77 Cb 0.42 -1.52 -0.09 0.00 -0.75 0.00 0.00 64.21 62.27 2uua n SER 77 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 2uua s ARG 78 N 0.08 0.36 0.50 -1.46 3.00 -0.77 -4.91 118.95 115.76 2uua s ARG 78 Ca 0.70 1.06 -0.11 0.00 -1.00 0.00 0.00 55.73 56.39 2uua s ARG 78 Cb -0.57 0.36 -0.05 0.00 0.00 0.00 0.00 34.95 34.68 2uua s ARG 78 CO 0.44 -0.24 0.88 -0.98 0.00 0.00 0.00 175.30 175.40 2uua s ARG 79 N 2.53 3.71 -0.30 5.12 1.70 -1.26 -1.41 118.95 129.04 2uua s ARG 79 Ca -0.03 0.57 0.20 0.00 -0.47 0.00 0.00 55.73 56.00 2uua s ARG 79 Cb -0.12 -2.26 0.48 0.00 -0.57 0.00 0.00 34.95 32.48 2uua s ARG 79 CO -0.14 -0.26 1.06 1.33 -1.08 0.00 0.00 175.30 176.22 2uua n VAL 80 N -1.94 1.03 -1.97 4.99 0.24 -0.97 -4.89 118.33 114.83 2uua n VAL 80 Ca 0.04 -2.85 -0.03 0.00 -2.04 0.00 0.00 64.34 59.46 2uua n VAL 80 Cb 0.54 0.97 0.00 0.00 -1.47 0.00 0.00 33.84 33.89 2uua n VAL 80 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2uua n GLY 81 N -0.37 -0.99 0.00 7.63 0.00 -1.26 -4.83 105.19 105.37 2uua n GLY 81 Ca 0.07 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.44 2uua n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2uua n GLY 82 N -0.41 2.07 0.00 -0.02 0.00 -1.26 -5.11 105.19 100.47 2uua n GLY 82 Ca 0.04 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2uua n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2uua n ALA 83 N 0.00 0.00 -2.70 4.61 0.00 -1.26 -5.14 120.51 116.02 2uua n ALA 83 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 2uua n ALA 83 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 2uua n ALA 83 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2uua s ASN 84 N 0.00 6.33 -0.19 0.00 0.01 -1.26 -2.29 114.94 117.54 2uua s ASN 84 Ca 0.00 0.37 -0.01 0.00 -0.71 0.00 0.00 52.86 52.52 2uua s ASN 84 Cb 0.00 -2.16 0.00 0.00 0.41 0.00 0.00 41.25 39.50 2uua s ASN 84 CO 0.00 0.06 -0.13 -0.31 -1.51 0.00 0.00 177.10 175.20 2uua s TYR 85 N 0.82 2.84 -0.68 2.20 4.12 -0.50 -4.85 117.35 121.31 2uua s TYR 85 Ca 0.14 -1.23 -0.25 0.00 0.02 0.00 0.00 57.07 55.74 2uua s TYR 85 Cb -0.13 -1.97 -0.13 0.00 -1.52 0.00 0.00 41.96 38.21 2uua s TYR 85 CO 0.04 -0.63 2.42 1.04 0.02 0.00 0.00 175.55 178.45 2uua n GLN 86 N 4.52 0.71 -3.44 -0.62 1.13 -1.26 -1.85 117.38 116.57 2uua n GLN 86 Ca -0.19 -0.34 -0.38 0.00 -1.94 0.00 0.00 57.00 54.14 2uua n GLN 86 Cb 0.51 -3.26 -0.06 0.00 0.11 0.00 0.00 30.24 27.54 2uua n GLN 86 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 2uua s VAL 87 N 12.32 5.08 0.10 5.09 1.01 -1.11 -4.84 120.40 138.05 2uua s VAL 87 Ca 1.01 0.87 -0.22 0.00 0.00 0.00 0.00 61.98 63.64 2uua s VAL 87 Cb -0.28 -3.75 -0.07 0.00 0.00 0.00 0.00 36.38 32.28 2uua s VAL 87 CO 0.23 0.49 0.67 -2.16 0.00 0.00 0.00 175.10 174.32 2uua s PRO 88 N -0.45 4.38 0.01 2.72 0.04 -1.26 0.79 135.00 141.22 2uua s PRO 88 Ca 0.24 0.93 -0.10 0.00 0.04 0.00 0.00 61.00 62.12 2uua s PRO 88 Cb -0.16 -3.27 0.01 0.00 0.04 0.00 0.00 34.50 31.12 2uua s PRO 88 CO 0.12 0.56 0.19 -1.64 0.04 0.00 0.00 177.00 176.27 2uua s MET 89 N -0.96 0.58 0.65 4.56 -1.94 0.53 -4.80 119.30 117.92 2uua s MET 89 Ca 0.33 -0.43 -0.17 0.00 -1.71 0.00 0.00 55.69 53.71 2uua s MET 89 Cb -0.21 0.25 -0.01 0.00 2.01 0.00 0.00 34.83 36.87 2uua s MET 89 CO 0.22 -0.15 1.21 -1.21 -0.01 0.00 0.00 175.02 175.08 2uua s GLU 90 N -1.72 2.66 -0.23 2.03 2.02 -1.26 -1.04 118.70 121.15 2uua s GLU 90 Ca -0.12 1.80 -0.08 0.00 0.02 0.00 0.00 54.97 56.59 2uua s GLU 90 Cb -0.05 -1.89 -0.04 0.00 0.10 0.00 0.00 34.13 32.25 2uua s GLU 90 CO 0.01 -1.45 0.10 0.08 0.02 0.00 0.00 175.26 174.02 2uua s VAL 91 N -1.74 4.73 0.26 2.63 1.01 -0.59 -4.79 120.40 121.90 2uua s VAL 91 Ca 0.76 -0.04 -0.30 0.00 0.00 0.00 0.00 61.98 62.41 2uua s VAL 91 Cb -0.30 -3.19 -0.14 0.00 0.00 0.00 0.00 36.38 32.75 2uua s VAL 91 CO 0.38 0.36 1.19 -0.24 0.00 0.00 0.00 175.10 176.79 2uua n SER 92 N 4.48 1.94 -0.22 3.32 2.88 -1.26 -4.68 113.62 120.09 2uua n SER 92 Ca -0.16 1.17 -0.01 0.00 -1.33 0.00 0.00 58.87 58.54 2uua n SER 92 Cb 0.52 -1.35 0.05 0.00 -0.75 0.00 0.00 64.21 62.69 2uua n SER 92 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 2uua h PRO 93 N 2.91 -0.05 0.03 -1.46 0.13 -1.97 0.35 132.00 131.94 2uua h PRO 93 Ca -0.43 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.73 2uua h PRO 93 Cb 1.31 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 32.40 2uua h PRO 93 CO 0.67 -0.03 -0.40 -0.09 -0.23 0.00 0.00 178.00 177.92 2uua h ARG 94 N -0.05 -0.55 -0.74 0.86 9.65 -2.01 -2.16 114.38 119.39 2uua h ARG 94 Ca 0.30 0.04 0.03 0.00 -1.10 0.00 0.00 59.98 59.25 2uua h ARG 94 Cb 0.51 0.12 -0.05 0.00 -1.39 0.00 0.00 29.97 29.17 2uua h ARG 94 CO -0.69 -0.37 0.47 -0.09 2.80 0.00 0.00 179.97 182.09 2uua h ARG 95 N -0.57 0.89 -0.29 0.20 2.43 -1.55 -1.90 114.38 113.60 2uua h ARG 95 Ca 0.04 -0.05 0.04 0.00 -0.81 0.00 0.00 59.98 59.20 2uua h ARG 95 Cb 0.64 -0.20 -0.06 0.00 -0.42 0.00 0.00 29.97 29.93 2uua h ARG 95 CO -0.29 0.59 -0.45 1.96 -1.51 0.00 0.00 179.97 180.27 2uua h GLN 96 N 0.92 -0.33 -0.21 0.20 4.20 0.24 0.42 115.11 120.54 2uua h GLN 96 Ca 0.30 0.02 0.04 0.00 0.06 0.00 0.00 58.65 59.07 2uua h GLN 96 Cb 0.01 0.08 -0.07 0.00 0.30 0.00 0.00 27.48 27.80 2uua h GLN 96 CO -0.11 -0.22 -0.53 0.37 -0.67 0.00 0.00 178.83 177.67 2uua h GLN 97 N -0.35 -0.51 -0.60 1.46 4.15 -1.15 0.29 115.11 118.41 2uua h GLN 97 Ca 0.05 0.03 0.10 0.00 0.77 0.00 0.00 58.65 59.60 2uua h GLN 97 Cb 0.49 0.12 -0.11 0.00 0.21 0.00 0.00 27.48 28.18 2uua h GLN 97 CO -0.45 -0.34 -0.40 0.77 -1.93 0.00 0.00 178.83 176.48 2uua h SER 98 N -0.53 -1.37 -0.14 -0.69 0.02 -0.48 -0.81 113.55 109.56 2uua h SER 98 Ca 0.05 0.24 0.04 0.00 -0.84 0.00 0.00 61.79 61.28 2uua h SER 98 Cb 0.66 0.64 -0.04 0.00 0.14 0.00 0.00 62.40 63.80 2uua h SER 98 CO -0.48 -0.32 -0.11 -0.07 -1.14 0.00 0.00 176.83 174.71 2uua h LEU 99 N -0.19 -0.35 0.19 5.07 3.38 0.77 -1.38 115.31 122.79 2uua h LEU 99 Ca 0.21 0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.26 2uua h LEU 99 Cb 0.56 0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.45 2uua h LEU 99 CO -0.70 -0.15 -0.51 0.00 0.09 0.00 0.00 178.44 177.18 2uua h ALA 100 N 0.98 -1.02 -0.29 1.53 0.00 0.88 0.38 119.26 121.72 2uua h ALA 100 Ca 0.09 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.90 2uua h ALA 100 Cb 0.26 0.85 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 2uua h ALA 100 CO -0.22 -1.12 0.12 -0.07 0.00 0.00 0.00 179.25 177.96 2uua h LEU 101 N -0.78 0.15 -0.54 0.00 3.38 -1.19 0.11 115.31 116.44 2uua h LEU 101 Ca -0.02 0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.06 2uua h LEU 101 Cb 0.75 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.44 2uua h LEU 101 CO -0.23 0.12 0.18 -0.09 0.09 0.00 0.00 178.44 178.51 2uua h ARG 102 N 0.26 0.34 -0.60 1.13 2.43 -0.94 -1.98 114.38 115.01 2uua h ARG 102 Ca 0.13 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.26 2uua h ARG 102 Cb 0.08 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.53 2uua h ARG 102 CO -0.12 0.22 0.29 -1.49 -1.51 0.00 0.00 179.97 177.36 2uua h TRP 103 N 0.35 0.87 0.34 2.20 6.55 0.54 -1.64 115.95 125.16 2uua h TRP 103 Ca 0.27 -0.04 -0.00 0.00 0.95 0.00 0.00 58.89 60.07 2uua h TRP 103 Cb 0.32 -0.27 -0.03 0.00 -0.86 0.00 0.00 29.16 28.32 2uua h TRP 103 CO -0.18 0.66 -0.48 -0.07 -1.05 0.00 0.00 178.44 177.32 2uua h LEU 104 N 0.82 -1.37 -0.66 -4.49 3.38 -0.07 0.17 115.31 113.09 2uua h LEU 104 Ca 0.21 0.13 0.09 0.00 0.09 0.00 0.00 57.88 58.40 2uua h LEU 104 Cb 0.12 0.47 -0.07 0.00 0.09 0.00 0.00 40.66 41.27 2uua h LEU 104 CO -0.03 -0.60 0.30 0.58 0.09 0.00 0.00 178.44 178.78 2uua h VAL 105 N -0.87 0.81 -0.39 1.22 2.07 -1.39 0.51 116.25 118.21 2uua h VAL 105 Ca -0.03 -0.18 0.03 0.00 0.82 0.00 0.00 66.70 67.34 2uua h VAL 105 Cb 0.80 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 2uua h VAL 105 CO -0.14 0.09 0.20 1.56 0.02 0.00 0.00 177.57 179.30 2uua h GLN 106 N 0.51 0.40 0.13 1.57 4.20 -0.77 0.14 115.11 121.29 2uua h GLN 106 Ca 0.33 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 59.01 2uua h GLN 106 Cb 0.38 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.07 2uua h GLN 106 CO -0.29 0.27 -0.06 0.00 -0.67 0.00 0.00 178.83 178.08 2uua h ALA 107 N 1.19 -0.18 -1.01 3.87 0.00 -0.03 -3.08 119.26 120.04 2uua h ALA 107 Ca 0.16 -0.18 0.23 0.00 0.00 0.00 0.00 54.91 55.12 2uua h ALA 107 Cb 0.05 0.07 -0.11 0.00 0.00 0.00 0.00 17.79 17.80 2uua h ALA 107 CO -0.10 -0.42 0.62 0.00 0.00 0.00 0.00 179.25 179.35 2uua h ALA 108 N 0.26 1.87 -0.08 0.00 0.00 0.24 0.28 119.26 121.84 2uua h ALA 108 Ca -0.02 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2uua h ALA 108 Cb 0.42 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2uua h ALA 108 CO 0.03 -0.30 0.00 0.09 0.00 0.00 0.00 179.25 179.07 2uua n ASN 109 N -4.78 0.73 -0.00 0.00 3.02 0.46 -2.72 115.26 111.97 2uua n ASN 109 Ca 0.25 -1.58 0.10 0.00 -0.03 0.00 0.00 54.58 53.32 2uua n ASN 109 Cb 0.72 -0.05 -0.13 0.00 -0.61 0.00 0.00 39.78 39.72 2uua n ASN 109 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2uua n GLN 110 N -0.29 0.49 -1.03 3.52 6.02 0.95 -4.98 117.38 122.07 2uua n GLN 110 Ca 0.14 -0.07 -0.33 0.00 -0.01 0.00 0.00 57.00 56.74 2uua n GLN 110 Cb 0.18 -1.46 0.13 0.00 1.02 0.00 0.00 30.24 30.11 2uua n GLN 110 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2uua s ARG 111 N -3.08 1.52 -0.00 -1.09 0.52 -1.08 -4.99 118.95 110.75 2uua s ARG 111 Ca 0.02 1.66 -0.23 0.00 -0.52 0.00 0.00 55.73 56.66 2uua s ARG 111 Cb 0.14 -1.77 -0.19 0.00 0.52 0.00 0.00 34.95 33.65 2uua s ARG 111 CO 0.83 -2.28 1.23 -1.00 0.02 0.00 0.00 175.30 174.11 2uua h PRO 112 N -1.15 0.20 -6.07 3.54 0.13 -1.93 -3.47 132.00 123.25 2uua h PRO 112 Ca -0.45 -0.13 -0.66 0.00 -0.87 0.00 0.00 66.00 63.89 2uua h PRO 112 Cb 1.28 0.02 0.12 0.00 0.13 0.00 0.00 31.00 32.55 2uua h PRO 112 CO 0.45 0.72 -0.48 -0.85 -0.23 0.00 0.00 178.00 177.60 2uua n GLU 113 N -4.63 0.18 0.18 0.86 0.00 -1.26 -4.88 120.64 111.09 2uua n GLU 113 Ca -0.08 0.06 0.13 0.00 0.00 0.00 0.00 57.16 57.28 2uua n GLU 113 Cb 0.37 -1.12 0.39 0.00 0.00 0.00 0.00 31.44 31.08 2uua n GLU 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2uua h ARG 114 N 1.05 0.00 -5.19 3.44 2.47 -2.00 -3.45 114.38 110.70 2uua h ARG 114 Ca -0.30 0.00 -0.64 0.00 -1.26 0.00 0.00 59.98 57.77 2uua h ARG 114 Cb 1.43 0.00 -0.23 0.00 -1.65 0.00 0.00 29.97 29.52 2uua h ARG 114 CO 0.56 0.00 -0.67 1.03 0.56 0.00 0.00 179.97 181.46 2uua s ARG 115 N -3.27 3.63 0.00 0.04 0.52 -1.26 -5.03 118.95 113.58 2uua s ARG 115 Ca 0.07 -0.52 0.00 0.00 -0.52 0.00 0.00 55.73 54.75 2uua s ARG 115 Cb 0.09 -3.01 0.00 0.00 0.52 0.00 0.00 34.95 32.54 2uua s ARG 115 CO 0.58 0.09 0.73 0.00 0.02 0.00 0.00 175.30 176.72 2uua n ALA 116 N 3.99 0.00 -0.38 2.13 0.00 -1.26 -0.16 120.51 124.84 2uua n ALA 116 Ca -0.17 0.00 0.29 0.00 0.00 0.00 0.00 53.44 53.56 2uua n ALA 116 Cb 0.52 0.36 0.56 0.00 0.00 0.00 0.00 19.45 20.89 2uua n ALA 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2uua h ALA 117 N -0.84 2.36 -0.01 0.00 0.00 -1.96 0.74 119.26 119.56 2uua h ALA 117 Ca 0.00 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 2uua h ALA 117 Cb 0.00 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 2uua h ALA 117 CO 0.00 -0.93 0.00 0.28 0.00 0.00 0.00 179.25 178.60 2uua h VAL 118 N 0.24 1.13 -0.42 0.00 2.07 -0.91 -1.42 116.25 116.94 2uua h VAL 118 Ca 0.73 -0.37 0.03 0.00 0.82 0.00 0.00 66.70 67.91 2uua h VAL 118 Cb 2.01 1.36 -0.04 0.00 -1.52 0.00 0.00 31.29 33.11 2uua h VAL 118 CO -0.44 0.10 0.21 0.03 0.02 0.00 0.00 177.57 177.48 2uua h ARG 119 N -0.14 0.41 -0.44 1.57 3.08 0.18 -0.74 114.38 118.30 2uua h ARG 119 Ca 0.00 -0.02 -0.14 0.00 0.07 0.00 0.00 59.98 59.89 2uua h ARG 119 Cb 0.16 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 2uua h ARG 119 CO -0.00 0.27 -0.28 0.82 -1.07 0.00 0.00 179.97 179.71 2uua h ILE 120 N 0.42 1.27 0.47 2.04 5.03 -1.18 -1.82 117.51 123.74 2uua h ILE 120 Ca 0.18 -1.44 -0.02 0.00 -0.12 0.00 0.00 64.86 63.46 2uua h ILE 120 Cb 0.09 1.22 -0.00 0.00 -3.03 0.00 0.00 36.82 35.09 2uua h ILE 120 CO -0.13 0.49 -0.29 0.00 -0.68 0.00 0.00 178.15 177.55 2uua h ALA 121 N 0.86 -0.72 -0.83 1.87 0.00 -1.02 0.14 119.26 119.57 2uua h ALA 121 Ca 0.09 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.88 2uua h ALA 121 Cb 0.86 0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 2uua h ALA 121 CO 0.08 -0.92 0.54 0.45 0.00 0.00 0.00 179.25 179.40 2uua h HIS 122 N -0.72 1.03 -0.27 0.00 3.86 -1.13 0.43 115.15 118.35 2uua h HIS 122 Ca -0.05 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.16 2uua h HIS 122 Cb 0.59 -0.35 -0.01 0.00 1.06 0.00 0.00 27.41 28.70 2uua h HIS 122 CO -0.09 0.63 0.08 1.49 0.86 0.00 0.00 177.93 180.90 2uua h GLU 123 N 1.09 0.42 -0.55 2.45 4.57 -1.16 0.89 114.58 122.29 2uua h GLU 123 Ca 0.31 -0.09 0.09 0.00 -1.18 0.00 0.00 59.36 58.49 2uua h GLU 123 Cb -0.09 -0.06 -0.07 0.00 -0.16 0.00 0.00 28.75 28.37 2uua h GLU 123 CO -0.08 0.49 0.17 -0.07 -1.18 0.00 0.00 179.01 178.34 2uua h LEU 124 N 0.27 0.12 0.33 1.64 3.38 -0.25 0.48 115.31 121.28 2uua h LEU 124 Ca 0.09 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 2uua h LEU 124 Cb 0.25 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2uua h LEU 124 CO -0.00 0.08 -0.16 0.24 0.09 0.00 0.00 178.44 178.69 2uua h MET 125 N 0.33 -0.43 -0.84 1.13 2.86 -0.63 -1.73 114.93 115.62 2uua h MET 125 Ca 0.28 0.03 0.11 0.00 -2.06 0.00 0.00 59.70 58.06 2uua h MET 125 Cb 0.36 0.10 -0.06 0.00 0.06 0.00 0.00 31.60 32.05 2uua h MET 125 CO -0.31 -0.17 0.54 -0.44 1.06 0.00 0.00 176.91 177.59 2uua h ASP 126 N -0.65 0.69 0.97 1.22 5.19 -0.30 -2.19 116.42 121.35 2uua h ASP 126 Ca -0.05 0.02 -0.05 0.00 -0.62 0.00 0.00 57.03 56.34 2uua h ASP 126 Cb 0.46 -0.12 0.01 0.00 0.18 0.00 0.00 39.33 39.86 2uua h ASP 126 CO 0.07 0.40 -0.46 0.00 -3.12 0.00 0.00 179.24 176.13 2uua h ALA 127 N 1.59 -1.30 0.00 3.45 0.00 0.17 0.40 119.26 123.58 2uua h ALA 127 Ca 0.39 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2uua h ALA 127 Cb 0.50 0.50 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2uua h ALA 127 CO -0.16 -1.21 0.13 0.00 0.00 0.00 0.00 179.25 178.01 2uua h ALA 128 N -1.32 1.09 0.00 0.00 0.00 -1.00 0.15 119.26 118.17 2uua h ALA 128 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2uua h ALA 128 Cb 1.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2uua h ALA 128 CO 0.22 -0.09 -1.40 -1.91 0.00 0.00 0.00 179.25 176.07 2uua n GLU 129 N -2.23 0.48 0.00 0.00 2.13 -0.85 -4.80 120.64 115.37 2uua n GLU 129 Ca -0.01 -0.05 0.00 0.00 0.66 0.00 0.00 57.16 57.76 2uua n GLU 129 Cb 0.16 -1.61 0.00 0.00 0.27 0.00 0.00 31.44 30.26 2uua n GLU 129 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2uua n GLY 130 N 1.30 0.80 3.73 8.31 0.00 0.52 -5.08 105.19 114.76 2uua n GLY 130 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 2uua n GLY 130 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2uua s LYS 131 N -0.77 2.18 0.00 1.61 -2.85 0.01 -4.98 119.74 114.94 2uua s LYS 131 Ca 0.00 -2.40 0.00 0.00 -1.00 0.00 0.00 55.97 52.57 2uua s LYS 131 Cb 0.00 -1.32 0.00 0.00 -2.06 0.00 0.00 37.83 34.45 2uua s LYS 131 CO 0.00 -0.43 0.00 0.41 0.10 0.00 0.00 175.35 175.43 2uua n GLY 132 N -1.23 1.96 0.45 0.59 0.00 -1.26 -3.05 105.19 102.65 2uua n GLY 132 Ca -0.18 -1.65 0.31 0.00 0.00 0.00 0.00 46.02 44.51 2uua n GLY 132 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2uua h GLY 133 N 0.00 1.12 0.97 -0.02 0.00 -1.97 -0.49 103.07 102.69 2uua h GLY 133 Ca 0.00 -0.14 -0.03 0.00 0.00 0.00 0.00 47.33 47.16 2uua h GLY 133 CO 0.00 -0.25 -0.34 0.00 0.00 0.00 0.00 176.54 175.95 2uua h ALA 134 N 1.58 -0.94 -0.24 3.60 0.00 -1.87 -2.07 119.26 119.32 2uua h ALA 134 Ca 0.71 -0.21 0.07 0.00 0.00 0.00 0.00 54.91 55.48 2uua h ALA 134 Cb 2.15 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 20.29 2uua h ALA 134 CO -0.33 -1.01 0.21 0.28 0.00 0.00 0.00 179.25 178.40 2uua h VAL 135 N -0.98 0.67 0.24 0.00 2.07 -1.34 -2.22 116.25 114.69 2uua h VAL 135 Ca -0.10 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 2uua h VAL 135 Cb 0.73 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 2uua h VAL 135 CO 0.16 0.00 -0.12 0.50 0.02 0.00 0.00 177.57 178.13 2uua h LYS 136 N 0.00 -0.31 -0.93 1.57 3.64 -0.85 -0.85 116.57 118.84 2uua h LYS 136 Ca 0.11 0.02 0.19 0.00 -1.27 0.00 0.00 60.65 59.71 2uua h LYS 136 Cb 0.52 0.07 -0.18 0.00 -0.41 0.00 0.00 32.23 32.24 2uua h LYS 136 CO -0.00 -0.21 -0.21 0.87 -2.27 0.00 0.00 179.45 177.63 2uua h LYS 137 N -0.40 0.00 -0.34 1.90 1.57 -1.08 1.33 116.57 119.56 2uua h LYS 137 Ca -0.03 -0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.82 2uua h LYS 137 Cb 0.25 -0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.48 2uua h LYS 137 CO 0.05 0.00 -0.31 -0.22 -0.57 0.00 0.00 179.45 178.41 2uua h LYS 138 N 0.00 -0.26 -0.44 3.15 3.11 -1.34 0.88 116.57 121.67 2uua h LYS 138 Ca 0.46 0.02 -0.03 0.00 -2.81 0.00 0.00 60.65 58.29 2uua h LYS 138 Cb 0.72 0.06 -0.02 0.00 -1.00 0.00 0.00 32.23 31.99 2uua h LYS 138 CO -0.95 -0.17 0.18 0.93 -2.81 0.00 0.00 179.45 176.63 2uua h GLU 139 N -0.26 0.66 -0.79 1.90 5.08 0.28 -2.21 114.58 119.24 2uua h GLU 139 Ca 0.16 -0.12 0.13 0.00 -1.00 0.00 0.00 59.36 58.53 2uua h GLU 139 Cb 0.52 -0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.61 2uua h GLU 139 CO -0.49 0.61 0.52 -0.44 -1.00 0.00 0.00 179.01 178.20 2uua h ASP 140 N 0.58 0.53 0.38 1.42 5.19 0.17 0.17 116.42 124.87 2uua h ASP 140 Ca 0.15 0.02 -0.02 0.00 -0.62 0.00 0.00 57.03 56.56 2uua h ASP 140 Cb 0.19 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 39.62 2uua h ASP 140 CO -0.01 0.29 -0.18 0.58 -3.12 0.00 0.00 179.24 176.79 2uua h VAL 141 N 0.57 0.36 -0.96 -1.35 2.07 -0.49 -2.00 116.25 114.46 2uua h VAL 141 Ca 0.38 -0.66 0.22 0.00 0.82 0.00 0.00 66.70 67.46 2uua h VAL 141 Cb 0.67 0.56 -0.08 0.00 -1.52 0.00 0.00 31.29 30.93 2uua h VAL 141 CO -0.14 0.08 0.63 -0.33 0.02 0.00 0.00 177.57 177.82 2uua h GLU 142 N -1.01 0.42 0.35 1.57 5.08 -0.79 0.19 114.58 120.39 2uua h GLU 142 Ca -0.05 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 2uua h GLU 142 Cb 0.52 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.68 2uua h GLU 142 CO 0.09 0.28 -0.17 -0.09 -1.00 0.00 0.00 179.01 178.11 2uua h ARG 143 N 0.43 -0.45 -1.12 2.33 2.43 -0.63 -1.03 114.38 116.33 2uua h ARG 143 Ca 0.52 0.03 0.33 0.00 -0.81 0.00 0.00 59.98 60.05 2uua h ARG 143 Cb 1.27 0.10 -0.12 0.00 -0.42 0.00 0.00 29.97 30.80 2uua h ARG 143 CO -0.22 -0.30 0.71 0.52 -1.51 0.00 0.00 179.97 179.16 2uua h MET 144 N -0.52 0.28 0.25 0.20 2.86 -0.55 0.53 114.93 117.98 2uua h MET 144 Ca -0.05 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.56 2uua h MET 144 Cb 0.36 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.96 2uua h MET 144 CO 0.08 0.19 -0.12 0.00 1.06 0.00 0.00 176.91 178.11 2uua h ALA 145 N 1.66 -0.74 -0.47 6.32 0.00 -0.86 -3.04 119.26 122.13 2uua h ALA 145 Ca 0.69 -0.07 0.13 0.00 0.00 0.00 0.00 54.91 55.66 2uua h ALA 145 Cb 1.87 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.77 2uua h ALA 145 CO -0.40 -0.71 0.33 1.49 0.00 0.00 0.00 179.25 179.96 2uua h GLU 146 N -0.48 0.06 0.00 0.00 4.22 -0.60 0.10 114.58 117.88 2uua h GLU 146 Ca -0.03 -0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.40 2uua h GLU 146 Cb 0.26 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2uua h GLU 146 CO 0.06 0.04 0.00 0.00 -2.18 0.00 0.00 179.01 176.92 2uua n ALA 147 N -2.61 2.31 -1.54 2.92 0.00 0.18 -2.58 120.51 119.18 2uua n ALA 147 Ca 0.08 -0.06 0.05 0.00 0.00 0.00 0.00 53.44 53.51 2uua n ALA 147 Cb 0.51 -1.16 0.07 0.00 0.00 0.00 0.00 19.45 18.87 2uua n ALA 147 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2uua n ASN 148 N -0.71 1.18 0.27 0.00 3.02 0.36 -4.84 115.26 114.55 2uua n ASN 148 Ca 0.08 -2.55 0.10 0.00 -0.03 0.00 0.00 54.58 52.17 2uua n ASN 148 Cb 0.03 -0.32 0.55 0.00 -0.61 0.00 0.00 39.78 39.44 2uua n ASN 148 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 2uua h ARG 149 N 0.02 0.00 0.00 3.52 2.43 -1.52 -0.36 114.38 118.47 2uua h ARG 149 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2uua h ARG 149 Cb 1.20 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 2uua h ARG 149 CO 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 179.97 178.46 2uua n ALA 150 N -1.72 1.24 0.37 2.80 0.00 -1.26 -1.80 120.51 120.14 2uua n ALA 150 Ca -0.01 0.11 0.04 0.00 0.00 0.00 0.00 53.44 53.58 2uua n ALA 150 Cb 0.44 -1.27 0.01 0.00 0.00 0.00 0.00 19.45 18.63 2uua n ALA 150 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2uua n TYR 151 N -2.04 0.00 -0.50 0.00 0.53 -0.14 -4.70 117.16 110.31 2uua n TYR 151 Ca 0.00 0.00 0.41 0.00 -1.02 0.00 0.00 57.90 57.29 2uua n TYR 151 Cb 0.09 0.00 0.70 0.00 -1.03 0.00 0.00 39.34 39.09 2uua n TYR 151 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 2uua h ALA 152 N 1.55 2.98 0.00 -0.72 0.00 -1.47 -0.11 119.26 121.48 2uua h ALA 152 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2uua h ALA 152 Cb 0.31 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2uua h ALA 152 CO 0.00 -1.63 0.00 -2.39 0.00 0.00 0.00 179.25 175.23 2uua n HIS 153 N -4.58 0.00 0.68 0.00 1.44 -1.26 -0.89 115.22 110.60 2uua n HIS 153 Ca 0.40 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 56.22 2uua n HIS 153 Cb 1.59 0.00 0.14 0.00 0.12 0.00 0.00 29.99 31.85 2uua n HIS 153 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 2uua n TYR 154 N -0.58 0.21 0.00 -1.40 0.53 -0.05 -4.77 117.16 111.09 2uua n TYR 154 Ca 0.02 -0.11 0.00 0.00 -1.02 0.00 0.00 57.90 56.79 2uua n TYR 154 Cb 0.01 -0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.32 2uua n TYR 154 CO 0.00 0.00 0.00 -2.13 -1.02 0.00 0.00 176.86 173.71 2uua n ARG 155 N 1.37 0.00 -0.69 -0.72 3.00 -0.07 -5.09 116.66 114.46 2uua n ARG 155 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.01 2uua n ARG 155 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.05 2uua n ARG 155 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.63 174.96