#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jum s THR 10 N 0.00 1.16 0.35 -0.44 -4.23 -1.26 -5.01 115.64 106.21 3jum s THR 10 Ca 0.00 -0.86 0.12 0.00 -1.18 0.00 0.00 61.69 59.77 3jum s THR 10 Cb 0.00 -1.02 0.34 0.00 1.34 0.00 0.00 72.50 73.16 3jum s THR 10 CO 0.00 0.15 1.76 0.77 -0.54 0.00 0.00 174.62 176.76 3jum h SER 11 N 5.27 0.62 -0.36 3.99 4.64 -2.05 0.67 113.55 126.33 3jum h SER 11 Ca -0.37 0.10 0.08 0.00 -0.47 0.00 0.00 61.79 61.13 3jum h SER 11 Cb 1.17 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.18 3jum h SER 11 CO 0.46 0.14 -0.23 -0.33 -0.87 0.00 0.00 176.83 176.00 3jum h GLU 12 N 0.56 -0.18 -0.26 4.77 3.07 -1.99 -0.45 114.58 120.11 3jum h GLU 12 Ca 0.60 0.01 -0.10 0.00 -0.50 0.00 0.00 59.36 59.38 3jum h GLU 12 Cb 1.23 0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 29.18 3jum h GLU 12 CO -0.38 -0.12 -0.22 -0.91 -1.40 0.00 0.00 179.01 175.99 3jum h ASN 13 N -0.18 0.63 -0.69 1.42 2.35 -0.23 -2.10 115.58 116.78 3jum h ASN 13 Ca 0.18 -0.46 0.06 0.00 -0.55 0.00 0.00 56.30 55.53 3jum h ASN 13 Cb 0.46 -0.18 -0.04 0.00 0.05 0.00 0.00 38.32 38.61 3jum h ASN 13 CO -0.47 0.96 0.45 0.03 -1.65 0.00 0.00 177.43 176.75 3jum h ARG 14 N 0.31 0.69 -0.24 0.81 3.08 -0.47 -0.95 114.38 117.62 3jum h ARG 14 Ca 0.05 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 60.00 3jum h ARG 14 Cb 0.76 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 3jum h ARG 14 CO 0.06 0.46 -0.07 0.00 -1.07 0.00 0.00 179.97 179.35 3jum h ALA 15 N 1.63 0.33 -0.52 0.04 0.00 -0.88 -1.79 119.26 118.06 3jum h ALA 15 Ca 0.30 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3jum h ALA 15 Cb 0.25 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3jum h ALA 15 CO -0.09 0.13 0.13 1.96 0.00 0.00 0.00 179.25 181.38 3jum h GLN 16 N 0.20 0.83 -0.56 0.00 1.08 -1.00 -0.46 115.11 115.19 3jum h GLN 16 Ca 0.06 -0.20 -0.00 0.00 -1.45 0.00 0.00 58.65 57.06 3jum h GLN 16 Cb 0.54 -0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 27.83 3jum h GLN 16 CO 0.03 0.78 0.34 0.28 -0.95 0.00 0.00 178.83 179.31 3jum h VAL 17 N 0.72 1.16 -0.16 -0.54 2.07 -1.08 -0.53 116.25 117.88 3jum h VAL 17 Ca 0.16 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 3jum h VAL 17 Cb 0.33 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 3jum h VAL 17 CO 0.00 0.17 0.05 0.00 0.02 0.00 0.00 177.57 177.81 3jum h ALA 18 N 1.17 0.22 -0.48 1.67 0.00 -1.05 -0.81 119.26 119.99 3jum h ALA 18 Ca 0.20 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.02 3jum h ALA 18 Cb -0.03 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 3jum h ALA 18 CO -0.04 -0.17 0.25 0.00 0.00 0.00 0.00 179.25 179.30 3jum h ALA 19 N 0.88 0.61 -0.62 0.00 0.00 -0.85 -0.16 119.26 119.11 3jum h ALA 19 Ca 0.05 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 3jum h ALA 19 Cb 0.21 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3jum h ALA 19 CO -0.00 -0.08 0.17 -0.09 0.00 0.00 0.00 179.25 179.25 3jum h ARG 20 N 0.51 0.98 -0.64 0.00 2.43 -0.91 -0.19 114.38 116.55 3jum h ARG 20 Ca 0.20 -0.22 -0.05 0.00 -0.81 0.00 0.00 59.98 59.10 3jum h ARG 20 Cb 0.08 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.47 3jum h ARG 20 CO -0.13 0.88 0.21 1.96 -1.51 0.00 0.00 179.97 181.38 3jum h GLN 21 N 0.90 0.99 -0.23 0.20 4.20 -0.86 0.39 115.11 120.71 3jum h GLN 21 Ca 0.20 -0.21 -0.02 0.00 0.06 0.00 0.00 58.65 58.68 3jum h GLN 21 Cb 0.32 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 3jum h GLN 21 CO -0.00 0.87 0.08 1.25 -0.67 0.00 0.00 178.83 180.35 3jum h HIS 22 N 0.92 0.36 -0.59 2.96 2.76 -0.72 -2.48 115.15 118.36 3jum h HIS 22 Ca 0.21 -0.03 -0.08 0.00 -2.20 0.00 0.00 60.37 58.27 3jum h HIS 22 Cb 0.28 -0.10 -0.02 0.00 1.55 0.00 0.00 27.41 29.12 3jum h HIS 22 CO 0.02 0.41 0.07 -0.91 -1.30 0.00 0.00 177.93 176.21 3jum h ASN 23 N 0.20 0.93 -0.89 3.26 2.35 -0.70 -2.14 115.58 118.60 3jum h ASN 23 Ca 0.07 -0.22 0.05 0.00 -0.55 0.00 0.00 56.30 55.65 3jum h ASN 23 Cb 0.21 -0.25 -0.05 0.00 0.05 0.00 0.00 38.32 38.28 3jum h ASN 23 CO -0.00 0.95 0.58 -0.09 -1.65 0.00 0.00 177.43 177.21 3jum h ARG 24 N 0.91 1.04 -0.79 0.81 2.43 -0.78 -0.14 114.38 117.85 3jum h ARG 24 Ca 0.18 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.25 3jum h ARG 24 Cb 0.44 -0.23 -0.04 0.00 -0.42 0.00 0.00 29.97 29.72 3jum h ARG 24 CO 0.01 0.69 0.34 0.87 -1.51 0.00 0.00 179.97 180.38 3jum h LYS 25 N 1.07 1.16 -0.47 0.20 1.79 -0.93 -0.58 116.57 118.82 3jum h LYS 25 Ca 0.36 -0.19 -0.09 0.00 -2.18 0.00 0.00 60.65 58.54 3jum h LYS 25 Cb 0.08 -0.20 -0.02 0.00 -1.58 0.00 0.00 32.23 30.52 3jum h LYS 25 CO -0.12 0.93 -0.07 0.82 -1.08 0.00 0.00 179.45 179.93 3jum h ILE 26 N 1.14 1.27 -0.55 1.86 1.08 -0.85 -0.59 117.51 120.86 3jum h ILE 26 Ca 0.27 -1.18 0.03 0.00 -0.39 0.00 0.00 64.86 63.59 3jum h ILE 26 Cb 0.17 1.07 -0.04 0.00 -3.07 0.00 0.00 36.82 34.96 3jum h ILE 26 CO -0.03 0.41 0.33 0.58 -0.69 0.00 0.00 178.15 178.75 3jum h VAL 27 N 0.72 1.06 -0.35 1.67 2.07 -0.63 0.70 116.25 121.49 3jum h VAL 27 Ca 0.12 -0.23 0.01 0.00 0.82 0.00 0.00 66.70 67.43 3jum h VAL 27 Cb 0.60 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 3jum h VAL 27 CO 0.04 0.12 0.22 -0.33 0.02 0.00 0.00 177.57 177.64 3jum h GLU 28 N 0.66 0.43 -0.45 1.57 5.08 -1.00 -0.99 114.58 119.89 3jum h GLU 28 Ca 0.22 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.59 3jum h GLU 28 Cb 0.03 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 3jum h GLU 28 CO -0.10 0.29 0.24 1.96 -1.00 0.00 0.00 179.01 180.39 3jum h GLN 29 N 0.44 0.46 -0.32 2.33 4.20 -0.64 -2.13 115.11 119.46 3jum h GLN 29 Ca 0.14 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.80 3jum h GLN 29 Cb -0.02 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.64 3jum h GLN 29 CO -0.05 0.31 0.13 -0.92 -0.67 0.00 0.00 178.83 177.63 3jum h TYR 30 N 0.48 0.48 0.00 2.96 3.20 -0.34 -2.10 116.97 121.65 3jum h TYR 30 Ca 0.19 -0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.99 3jum h TYR 30 Cb 0.07 -0.15 -0.00 0.00 1.54 0.00 0.00 36.73 38.19 3jum h TYR 30 CO -0.09 0.45 -0.15 0.52 -1.64 0.00 0.00 178.16 177.25 3jum h MET 31 N 0.37 0.00 -0.39 1.82 2.86 -0.92 -2.22 114.93 116.44 3jum h MET 31 Ca 0.11 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 3jum h MET 31 Cb 0.17 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.83 3jum h MET 31 CO -0.01 0.15 0.00 0.72 1.06 0.00 0.00 176.91 178.83 3jum n HIS 32 N -3.48 0.51 -2.42 -0.22 8.25 -0.83 -4.52 115.22 112.51 3jum n HIS 32 Ca -0.01 -0.29 -0.43 0.00 -0.26 0.00 0.00 57.72 56.73 3jum n HIS 32 Cb 0.31 -0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.40 3jum n HIS 32 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3jum s THR 33 N -1.32 4.27 0.18 1.59 2.01 -0.81 -5.00 115.64 116.57 3jum s THR 33 Ca 0.36 1.55 0.03 0.00 0.31 0.00 0.00 61.69 63.94 3jum s THR 33 Cb 0.21 -4.00 -0.05 0.00 0.01 0.00 0.00 72.50 68.67 3jum s THR 33 CO 0.28 -0.12 -0.02 -0.13 -0.69 0.00 0.00 174.62 173.94 3jum s ARG 34 N 3.36 1.17 3.76 4.92 0.52 -1.26 -4.80 118.95 126.62 3jum s ARG 34 Ca 0.55 -1.56 0.00 0.00 -0.52 0.00 0.00 55.73 54.20 3jum s ARG 34 Cb -0.22 -0.46 0.00 0.00 0.52 0.00 0.00 34.95 34.79 3jum s ARG 34 CO 0.15 -0.07 0.00 0.41 0.02 0.00 0.00 175.30 175.81 3jum n GLY 35 N -0.29 0.78 0.32 -3.53 0.00 -1.26 -2.81 105.19 98.40 3jum n GLY 35 Ca -0.07 -0.70 0.18 0.00 0.00 0.00 0.00 46.02 45.43 3jum n GLY 35 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3jum h GLU 36 N 0.00 0.00 0.00 1.61 4.39 -1.99 -0.87 114.58 117.72 3jum h GLU 36 Ca 0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 3jum h GLU 36 Cb 0.00 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3jum h GLU 36 CO 0.00 0.00 -0.00 0.00 -1.16 0.00 0.00 179.01 177.85 3jum h ALA 37 N 1.88 1.01 0.00 3.43 0.00 -1.93 -0.08 119.26 123.57 3jum h ALA 37 Ca 0.02 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3jum h ALA 37 Cb 0.18 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 3jum h ALA 37 CO -0.00 0.00 -0.12 0.00 0.00 0.00 0.00 179.25 179.13 3jum h ARG 38 N 0.00 0.00 0.00 0.00 3.08 -1.26 -1.33 114.38 114.87 3jum h ARG 38 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3jum h ARG 38 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.07 3jum h ARG 38 CO 0.00 0.12 0.00 -0.07 -1.07 0.00 0.00 179.97 178.95 3jum h LEU 39 N 0.00 0.00 -2.24 3.04 3.38 -1.20 -2.77 115.31 115.52 3jum h LEU 39 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3jum h LEU 39 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3jum h LEU 39 CO 0.02 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.84 3jum n LYS 40 N -2.31 1.79 0.26 1.13 5.02 -0.51 -4.69 118.16 118.85 3jum n LYS 40 Ca 0.01 -1.59 0.10 0.00 -2.02 0.00 0.00 58.31 54.82 3jum n LYS 40 Cb 0.18 -1.21 0.69 0.00 -0.02 0.00 0.00 35.03 34.67 3jum n LYS 40 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 3jum h ARG 41 N 1.81 0.00 0.00 1.97 2.43 -1.38 -1.44 114.38 117.77 3jum h ARG 41 Ca 0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 3jum h ARG 41 Cb 0.57 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.12 3jum h ARG 41 CO 0.00 0.09 -0.03 1.12 -1.51 0.00 0.00 179.97 179.64 3jum h HIS 42 N 0.00 0.00 0.00 2.20 2.07 -1.83 -1.54 115.15 116.05 3jum h HIS 42 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3jum h HIS 42 Cb 0.19 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.17 3jum h HIS 42 CO 0.00 0.03 0.00 1.28 -3.07 0.00 0.00 177.93 176.17 3jum n LEU 43 N -3.44 0.47 0.00 6.12 4.77 -0.54 -1.80 117.00 122.58 3jum n LEU 43 Ca -0.02 0.65 0.14 0.00 -0.03 0.00 0.00 56.01 56.75 3jum n LEU 43 Cb 0.14 -0.63 0.73 0.00 -2.33 0.00 0.00 43.42 41.33 3jum n LEU 43 CO 0.25 -0.62 1.00 0.18 -1.33 0.00 0.00 177.39 176.88 3jum n LEU 44 N -2.06 0.00 -4.83 2.23 4.77 -0.58 -4.88 117.00 111.66 3jum n LEU 44 Ca 0.01 0.30 -0.25 0.00 -0.03 0.00 0.00 56.01 56.05 3jum n LEU 44 Cb 0.14 -0.30 -0.05 0.00 -2.33 0.00 0.00 43.42 40.88 3jum n LEU 44 CO 0.14 -0.01 -0.18 -0.36 -1.33 0.00 0.00 177.39 175.65 3jum s PHE 45 N -2.61 3.20 0.95 -1.77 0.08 -0.75 -0.56 117.98 116.53 3jum s PHE 45 Ca 0.27 -0.03 -0.11 0.00 0.12 0.00 0.00 56.93 57.18 3jum s PHE 45 Cb 0.20 -1.50 0.16 0.00 -0.57 0.00 0.00 43.02 41.30 3jum s PHE 45 CO 0.46 0.51 1.10 0.95 -0.10 0.00 0.00 175.22 178.14 3jum s THR 46 N -1.87 2.35 0.39 0.64 -4.23 -0.06 -4.72 115.64 108.15 3jum s THR 46 Ca 0.32 0.12 0.08 0.00 -1.18 0.00 0.00 61.69 61.03 3jum s THR 46 Cb -0.10 -2.31 0.30 0.00 1.34 0.00 0.00 72.50 71.74 3jum s THR 46 CO 0.25 -0.15 1.98 -0.08 -0.54 0.00 0.00 174.62 176.08 3jum h GLU 47 N -1.88 0.61 -0.65 3.99 4.57 -1.96 -0.79 114.58 118.47 3jum h GLU 47 Ca -0.49 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.66 3jum h GLU 47 Cb 1.28 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.73 3jum h GLU 47 CO 0.48 0.41 0.00 -0.40 -1.18 0.00 0.00 179.01 178.31 3jum n ASP 48 N -4.48 4.96 -4.75 1.04 3.85 -1.26 -0.88 116.55 115.03 3jum n ASP 48 Ca 0.09 -2.51 -0.36 0.00 -0.71 0.00 0.00 54.79 51.29 3jum n ASP 48 Cb 0.24 -0.60 0.04 0.00 -1.35 0.00 0.00 41.12 39.44 3jum n ASP 48 CO 0.00 0.00 0.00 -0.83 -1.01 0.00 0.00 177.20 175.36 3jum s GLY 49 N -0.89 2.78 -0.03 6.12 0.00 -0.30 -4.26 107.32 110.74 3jum s GLY 49 Ca 0.53 1.07 0.07 0.00 0.00 0.00 0.00 44.72 46.38 3jum s GLY 49 CO 0.24 1.48 -0.25 0.14 0.00 0.00 0.00 173.10 174.71 3jum s VAL 50 N -1.53 1.98 0.31 1.40 1.01 -0.19 0.13 120.40 123.51 3jum s VAL 50 Ca 0.77 -1.06 0.03 0.00 0.00 0.00 0.00 61.98 61.72 3jum s VAL 50 Cb -0.32 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 3jum s VAL 50 CO 0.35 0.56 0.13 -0.83 0.00 0.00 0.00 175.10 175.31 3jum s GLY 51 N -0.41 2.06 0.00 4.51 0.00 -0.64 -0.57 107.32 112.27 3jum s GLY 51 Ca 0.04 -1.74 0.00 0.00 0.00 0.00 0.00 44.72 43.02 3jum s GLY 51 CO 0.01 -1.65 0.00 0.61 0.00 0.00 0.00 173.10 172.07 3jum n GLY 52 N -0.61 0.46 3.43 0.20 0.00 -1.13 0.27 105.19 107.81 3jum n GLY 52 Ca -0.01 -1.69 -0.38 0.00 0.00 0.00 0.00 46.02 43.94 3jum n GLY 52 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3jum s LEU 53 N 0.00 3.99 0.00 0.99 2.96 -0.50 -1.35 118.68 124.76 3jum s LEU 53 Ca 0.00 -0.49 0.23 0.00 -0.22 0.00 0.00 54.13 53.65 3jum s LEU 53 Cb 0.00 -1.98 0.06 0.00 0.50 0.00 0.00 46.19 44.77 3jum s LEU 53 CO 0.00 -0.17 1.12 0.79 -1.32 0.00 0.00 176.35 176.78 3jum n TRP 54 N 4.96 0.00 -3.95 5.38 8.01 0.48 -0.63 117.44 131.69 3jum n TRP 54 Ca -0.14 0.00 -0.31 0.00 -1.31 0.00 0.00 57.50 55.74 3jum n TRP 54 Cb 0.49 -0.02 -0.15 0.00 -2.01 0.00 0.00 31.31 29.63 3jum n TRP 54 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.69 177.63 3jum s THR 55 N -2.56 2.01 0.21 -0.99 -4.23 -1.23 -4.51 115.64 104.33 3jum s THR 55 Ca 0.18 -2.23 0.08 0.00 -1.18 0.00 0.00 61.69 58.53 3jum s THR 55 Cb 0.18 -2.48 -0.05 0.00 1.34 0.00 0.00 72.50 71.49 3jum s THR 55 CO 0.61 -0.63 -0.14 0.42 -0.54 0.00 0.00 174.62 174.34 3jum s THR 56 N 0.95 1.72 0.37 3.99 -4.23 -1.26 -4.69 115.64 112.49 3jum s THR 56 Ca 0.11 -2.20 0.25 0.00 -1.18 0.00 0.00 61.69 58.67 3jum s THR 56 Cb -0.19 -2.08 0.27 0.00 1.34 0.00 0.00 72.50 71.83 3jum s THR 56 CO -0.11 -0.57 2.01 -2.24 -0.54 0.00 0.00 174.62 173.18 3jum h ASP 57 N 2.54 0.00 1.52 3.99 3.04 -1.97 -2.50 116.42 123.03 3jum h ASP 57 Ca -0.38 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.41 3jum h ASP 57 Cb 1.22 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.51 3jum h ASP 57 CO 0.62 0.16 0.00 0.77 -2.04 0.00 0.00 179.24 178.75 3jum h SER 58 N 0.00 0.00 0.00 4.15 4.64 -2.02 -3.47 113.55 116.86 3jum h SER 58 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3jum h SER 58 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 3jum h SER 58 CO 0.02 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.59 3jum n GLY 59 N 0.74 1.51 3.59 -0.77 0.00 -0.94 -5.05 105.19 104.26 3jum n GLY 59 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 3jum n GLY 59 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3jum s GLN 60 N -0.28 2.71 0.62 1.61 -1.52 -1.26 -4.91 119.66 116.63 3jum s GLN 60 Ca 0.00 -0.58 -0.19 0.00 -1.95 0.00 0.00 55.36 52.64 3jum s GLN 60 Cb 0.00 -2.58 -0.02 0.00 -0.22 0.00 0.00 33.01 30.19 3jum s GLN 60 CO 0.00 0.65 1.32 -2.30 -0.25 0.00 0.00 175.29 174.71 3jum n PRO 61 N 2.09 1.31 -3.21 2.91 -0.02 -1.26 -4.59 135.00 132.22 3jum n PRO 61 Ca -0.17 0.50 -0.45 0.00 -2.02 0.00 0.00 63.50 61.35 3jum n PRO 61 Cb 0.53 -2.55 -0.04 0.00 -0.02 0.00 0.00 33.50 31.41 3jum n PRO 61 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3jum s ILE 62 N -1.35 5.07 -0.15 4.25 1.01 0.20 -5.00 121.20 125.22 3jum s ILE 62 Ca 0.79 -1.40 -0.09 0.00 0.00 0.00 0.00 60.65 59.95 3jum s ILE 62 Cb -0.39 -4.44 -0.05 0.00 0.01 0.00 0.00 42.46 37.59 3jum s ILE 62 CO 0.43 -1.03 0.17 0.00 0.00 0.00 0.00 174.94 174.51 3jum s ALA 63 N 1.95 3.76 -0.31 9.38 0.00 -1.26 -1.41 121.76 133.86 3jum s ALA 63 Ca 0.10 -0.61 -0.05 0.00 0.00 0.00 0.00 51.96 51.39 3jum s ALA 63 Cb -0.24 -2.13 0.03 0.00 0.00 0.00 0.00 23.12 20.78 3jum s ALA 63 CO 0.03 0.36 0.06 0.42 0.00 0.00 0.00 175.76 176.63 3jum s ILE 64 N -0.29 3.58 -0.35 0.00 1.01 0.14 -4.98 121.20 120.32 3jum s ILE 64 Ca 0.13 -1.08 -0.09 0.00 0.00 0.00 0.00 60.65 59.61 3jum s ILE 64 Cb -0.12 -2.97 0.03 0.00 0.01 0.00 0.00 42.46 39.40 3jum s ILE 64 CO 0.02 -0.07 0.16 -0.13 0.00 0.00 0.00 174.94 174.92 3jum s ARG 65 N 1.39 2.82 0.00 2.79 0.52 -1.26 -1.63 118.95 123.58 3jum s ARG 65 Ca -0.01 -1.07 0.00 0.00 -0.52 0.00 0.00 55.73 54.13 3jum s ARG 65 Cb -0.19 -3.60 0.00 0.00 0.52 0.00 0.00 34.95 31.68 3jum s ARG 65 CO 0.01 -0.65 0.00 0.41 0.02 0.00 0.00 175.30 175.10 3jum n GLY 66 N 4.92 2.71 0.21 -3.53 0.00 0.12 -4.48 105.19 105.15 3jum n GLY 66 Ca -0.12 -1.63 -0.01 0.00 0.00 0.00 0.00 46.02 44.26 3jum n GLY 66 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3jum h ARG 67 N 0.00 0.18 -0.38 1.61 2.43 -1.13 0.45 114.38 117.55 3jum h ARG 67 Ca 0.00 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3jum h ARG 67 Cb 0.00 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.49 3jum h ARG 67 CO 0.00 0.12 0.22 1.49 -1.51 0.00 0.00 179.97 180.28 3jum h GLU 68 N 0.18 0.52 -0.63 0.20 4.81 -1.90 -1.46 114.58 116.31 3jum h GLU 68 Ca 0.27 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.41 3jum h GLU 68 Cb 0.41 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.65 3jum h GLU 68 CO -0.40 0.41 0.22 0.87 -0.73 0.00 0.00 179.01 179.38 3jum h LYS 69 N 0.49 0.93 -0.64 1.92 1.79 -1.61 -1.88 116.57 117.56 3jum h LYS 69 Ca 0.13 -0.16 -0.05 0.00 -2.18 0.00 0.00 60.65 58.39 3jum h LYS 69 Cb 0.03 -0.15 -0.03 0.00 -1.58 0.00 0.00 32.23 30.50 3jum h LYS 69 CO -0.02 0.78 0.21 -0.07 -1.08 0.00 0.00 179.45 179.27 3jum h LEU 70 N 0.91 0.90 -0.95 2.94 3.38 -0.58 0.81 115.31 122.72 3jum h LEU 70 Ca 0.21 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 3jum h LEU 70 Cb 0.22 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3jum h LEU 70 CO -0.01 0.83 -0.21 1.23 0.09 0.00 0.00 178.44 180.37 3jum h GLY 71 N 1.04 0.57 1.55 0.83 0.00 -0.67 -1.83 103.07 104.57 3jum h GLY 71 Ca 0.21 -0.45 -0.12 0.00 0.00 0.00 0.00 47.33 46.98 3jum h GLY 71 CO -0.01 0.41 -0.35 0.83 0.00 0.00 0.00 176.54 177.42 3jum h GLU 72 N 0.47 0.50 -0.33 4.80 5.08 -1.08 -2.83 114.58 121.21 3jum h GLU 72 Ca 0.08 -0.23 -0.06 0.00 -1.00 0.00 0.00 59.36 58.15 3jum h GLU 72 Cb 0.62 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 3jum h GLU 72 CO 0.04 0.79 -0.05 1.25 -1.00 0.00 0.00 179.01 180.04 3jum h HIS 73 N 0.43 0.56 -0.78 4.33 2.76 -0.50 -2.65 115.15 119.29 3jum h HIS 73 Ca 0.05 -0.07 0.10 0.00 -2.20 0.00 0.00 60.37 58.25 3jum h HIS 73 Cb 0.81 -0.16 -0.05 0.00 1.55 0.00 0.00 27.41 29.56 3jum h HIS 73 CO 0.03 0.58 0.51 0.00 -1.30 0.00 0.00 177.93 177.75 3jum h ALA 74 N 1.45 1.79 -0.43 5.26 0.00 -1.07 -1.29 119.26 124.96 3jum h ALA 74 Ca 0.10 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.05 3jum h ALA 74 Cb 0.40 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 3jum h ALA 74 CO 0.02 0.04 0.18 0.28 0.00 0.00 0.00 179.25 179.77 3jum h VAL 75 N 0.70 0.91 -0.30 0.00 2.07 -1.55 -0.31 116.25 117.76 3jum h VAL 75 Ca 0.36 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.74 3jum h VAL 75 Cb 0.48 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 3jum h VAL 75 CO -0.14 0.07 0.12 -0.25 0.02 0.00 0.00 177.57 177.39 3jum h TRP 76 N 0.37 0.47 -0.38 1.57 7.01 -1.38 -2.46 115.95 121.15 3jum h TRP 76 Ca 0.20 -0.04 0.04 0.00 2.11 0.00 0.00 58.89 61.20 3jum h TRP 76 Cb 0.16 -0.14 -0.04 0.00 -2.10 0.00 0.00 29.16 27.04 3jum h TRP 76 CO -0.13 0.46 0.13 0.77 -2.79 0.00 0.00 178.44 176.88 3jum h SER 77 N 0.34 0.15 -0.28 2.65 0.02 -0.94 -0.80 113.55 114.69 3jum h SER 77 Ca 0.10 0.04 -0.06 0.00 -0.84 0.00 0.00 61.79 61.03 3jum h SER 77 Cb 0.19 0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.74 3jum h SER 77 CO -0.01 0.12 -0.01 0.25 -1.14 0.00 0.00 176.83 176.05 3jum h LEU 78 N 0.29 0.59 -0.28 5.07 5.85 -1.02 0.22 115.31 126.03 3jum h LEU 78 Ca 0.17 -0.13 -0.09 0.00 0.84 0.00 0.00 57.88 58.68 3jum h LEU 78 Cb 0.15 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 3jum h LEU 78 CO -0.17 0.67 -0.16 1.56 -0.34 0.00 0.00 178.44 179.99 3jum h GLN 79 N 0.59 0.61 0.00 1.25 4.20 -1.00 -3.14 115.11 117.63 3jum h GLN 79 Ca 0.12 -0.28 -0.07 0.00 0.06 0.00 0.00 58.65 58.48 3jum h GLN 79 Cb 0.39 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 3jum h GLN 79 CO 0.01 0.86 -0.36 0.00 -0.67 0.00 0.00 178.83 178.67 3jum n PHE 81 N -3.16 0.39 0.37 0.00 3.01 0.73 -0.54 117.46 118.25 3jum n PHE 81 Ca 0.02 -3.64 0.14 0.00 1.01 0.00 0.00 57.45 54.99 3jum n PHE 81 Cb 0.67 -0.20 0.50 0.00 -0.01 0.00 0.00 39.48 40.43 3jum n PHE 81 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 3jum h PRO 82 N 4.73 0.00 0.00 -1.08 0.13 -1.70 -3.20 132.00 130.88 3jum h PRO 82 Ca 0.16 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.25 3jum h PRO 82 Cb 0.85 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 31.87 3jum h PRO 82 CO 0.51 0.00 -0.52 -0.40 -0.23 0.00 0.00 178.00 177.36 3jum n ASP 83 N -2.67 1.21 -4.75 1.44 5.68 -1.26 -4.86 116.55 111.34 3jum n ASP 83 Ca 0.02 -2.70 -0.41 0.00 -0.50 0.00 0.00 54.79 51.20 3jum n ASP 83 Cb 0.34 -0.36 -0.02 0.00 -1.14 0.00 0.00 41.12 39.94 3jum n ASP 83 CO 0.00 0.00 0.00 0.86 -1.33 0.00 0.00 177.20 176.73 3jum s TRP 84 N -1.43 2.75 -0.01 2.11 -0.11 -1.21 -4.81 118.94 116.23 3jum s TRP 84 Ca 0.25 0.79 0.02 0.00 1.22 0.00 0.00 56.10 58.39 3jum s TRP 84 Cb 0.25 -4.07 -0.00 0.00 -1.50 0.00 0.00 33.47 28.15 3jum s TRP 84 CO -0.05 -3.58 -0.08 0.14 -4.62 0.00 0.00 176.95 168.76 3jum s VAL 85 N -0.04 0.61 0.11 5.86 -7.23 -0.90 -4.67 120.40 114.14 3jum s VAL 85 Ca 0.63 -0.32 -0.19 0.00 -1.81 0.00 0.00 61.98 60.29 3jum s VAL 85 Cb -0.48 -0.52 -0.07 0.00 0.56 0.00 0.00 36.38 35.87 3jum s VAL 85 CO 0.48 0.18 0.60 0.26 -0.31 0.00 0.00 175.10 176.31 3jum s TRP 86 N -0.12 3.76 0.22 2.82 0.52 -1.26 -1.72 118.94 123.15 3jum s TRP 86 Ca 0.02 1.27 -0.03 0.00 0.02 0.00 0.00 56.10 57.38 3jum s TRP 86 Cb -0.04 -2.50 -0.03 0.00 -1.15 0.00 0.00 33.47 29.75 3jum s TRP 86 CO -0.00 0.52 0.21 0.95 0.02 0.00 0.00 176.95 178.65 3jum s THR 87 N -1.23 0.00 -1.46 2.01 -4.23 -0.13 -4.88 115.64 105.72 3jum s THR 87 Ca 0.33 -1.88 -0.06 0.00 -1.18 0.00 0.00 61.69 58.90 3jum s THR 87 Cb -0.18 -2.45 0.04 0.00 1.34 0.00 0.00 72.50 71.25 3jum s THR 87 CO 0.20 0.00 0.64 -0.67 -0.54 0.00 0.00 174.62 174.25 3jum n ASP 88 N -0.35 -1.80 -4.68 3.99 4.64 -1.26 -0.90 116.55 116.20 3jum n ASP 88 Ca 0.01 -0.93 -0.43 0.00 -1.38 0.00 0.00 54.79 52.07 3jum n ASP 88 Cb 0.65 -3.36 -0.02 0.00 -1.04 0.00 0.00 41.12 37.35 3jum n ASP 88 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 3jum s ILE 89 N -3.67 4.49 -0.16 5.18 1.01 -1.26 -4.31 121.20 122.47 3jum s ILE 89 Ca 0.25 1.79 0.01 0.00 0.00 0.00 0.00 60.65 62.70 3jum s ILE 89 Cb -0.13 -4.15 0.02 0.00 0.01 0.00 0.00 42.46 38.21 3jum s ILE 89 CO 0.87 -0.05 -0.18 -1.10 0.00 0.00 0.00 174.94 174.48 3jum s GLN 90 N 2.49 2.74 -0.22 2.79 -0.21 0.13 -5.01 119.66 122.36 3jum s GLN 90 Ca 0.52 -0.73 -0.10 0.00 0.02 0.00 0.00 55.36 55.07 3jum s GLN 90 Cb -0.21 -2.39 -0.05 0.00 1.00 0.00 0.00 33.01 31.37 3jum s GLN 90 CO 0.17 -0.20 0.13 0.42 -2.12 0.00 0.00 175.29 173.69 3jum s ILE 91 N 1.32 5.22 -0.28 1.08 1.01 -1.26 -1.31 121.20 126.97 3jum s ILE 91 Ca 0.04 0.13 -0.04 0.00 0.00 0.00 0.00 60.65 60.78 3jum s ILE 91 Cb -0.13 -3.40 0.03 0.00 0.01 0.00 0.00 42.46 38.96 3jum s ILE 91 CO -0.11 0.40 0.02 -0.36 0.00 0.00 0.00 174.94 174.88 3jum s PHE 92 N 0.71 3.15 0.79 3.97 0.40 0.87 -5.02 117.98 122.84 3jum s PHE 92 Ca 0.07 -1.39 -0.11 0.00 -0.60 0.00 0.00 56.93 54.89 3jum s PHE 92 Cb -0.12 -2.16 0.06 0.00 0.51 0.00 0.00 43.02 41.31 3jum s PHE 92 CO 0.01 -0.69 1.08 -1.21 0.70 0.00 0.00 175.22 175.12 3jum s GLU 93 N 1.38 2.16 0.35 0.44 2.02 -1.26 -1.40 118.70 122.39 3jum s GLU 93 Ca -0.00 0.93 0.05 0.00 0.02 0.00 0.00 54.97 55.97 3jum s GLU 93 Cb -0.18 -1.90 -0.02 0.00 0.10 0.00 0.00 34.13 32.13 3jum s GLU 93 CO -0.01 -1.65 0.19 0.25 0.02 0.00 0.00 175.26 174.07 3jum n THR 94 N -3.49 0.00 0.31 3.63 -2.24 -1.23 -4.86 114.28 106.40 3jum n THR 94 Ca 0.08 -2.24 0.20 0.00 -2.27 0.00 0.00 64.05 59.82 3jum n THR 94 Cb 0.54 0.94 0.94 0.00 -2.10 0.00 0.00 70.33 70.65 3jum n THR 94 CO 0.00 0.00 0.00 0.06 -0.57 0.00 0.00 175.07 174.56 3jum h GLN 95 N 0.00 0.00 -5.21 -0.78 -0.00 -1.98 -3.39 115.11 103.75 3jum h GLN 95 Ca -0.26 0.00 -0.62 0.00 -0.00 0.00 0.00 58.65 57.76 3jum h GLN 95 Cb 1.13 0.00 -0.14 0.00 -0.00 0.00 0.00 27.48 28.47 3jum h GLN 95 CO 0.41 0.00 -0.17 0.34 -0.00 0.00 0.00 178.83 179.41 3jum s ASP 96 N -5.39 6.30 0.45 0.06 -1.08 -1.26 -4.95 116.67 110.80 3jum s ASP 96 Ca -0.02 0.35 0.31 0.00 -0.52 0.00 0.00 52.55 52.67 3jum s ASP 96 Cb 0.11 -2.23 1.53 0.00 -1.46 0.00 0.00 42.92 40.86 3jum s ASP 96 CO 0.47 -0.22 1.93 1.55 0.52 0.00 0.00 175.17 179.43 3jum h PRO 97 N 8.13 0.00 -0.57 4.34 0.13 -1.91 -1.63 132.00 140.50 3jum h PRO 97 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 3jum h PRO 97 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 3jum h PRO 97 CO 0.66 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.52 3jum n ASN 98 N -2.64 4.64 -3.73 1.44 3.02 -1.26 -4.17 115.26 112.55 3jum n ASN 98 Ca -0.01 -2.54 -0.18 0.00 -0.03 0.00 0.00 54.58 51.82 3jum n ASN 98 Cb 0.14 -0.56 -0.17 0.00 -0.61 0.00 0.00 39.78 38.58 3jum n ASN 98 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 3jum s TRP 99 N -2.01 0.15 0.15 3.10 -0.11 -0.61 -0.75 118.94 118.86 3jum s TRP 99 Ca 0.48 0.14 0.09 0.00 1.22 0.00 0.00 56.10 58.03 3jum s TRP 99 Cb 0.33 -0.43 -0.04 0.00 -1.50 0.00 0.00 33.47 31.82 3jum s TRP 99 CO 0.21 -0.17 -0.21 -0.06 -4.62 0.00 0.00 176.95 172.10 3jum s PHE 100 N 1.65 1.96 0.08 5.86 0.40 -0.06 -3.48 117.98 124.40 3jum s PHE 100 Ca -0.01 -0.42 0.09 0.00 -0.60 0.00 0.00 56.93 55.98 3jum s PHE 100 Cb -0.13 -1.01 -0.03 0.00 0.51 0.00 0.00 43.02 42.36 3jum s PHE 100 CO -0.03 0.33 -0.23 -1.58 0.70 0.00 0.00 175.22 174.41 3jum s TRP 101 N -1.61 2.01 -0.04 0.36 0.52 -0.49 -0.70 118.94 118.98 3jum s TRP 101 Ca 0.14 -0.40 0.04 0.00 0.02 0.00 0.00 56.10 55.90 3jum s TRP 101 Cb -0.08 -1.14 -0.00 0.00 -1.15 0.00 0.00 33.47 31.10 3jum s TRP 101 CO 0.07 0.19 -0.15 0.08 0.02 0.00 0.00 176.95 177.16 3jum s VAL 102 N -0.98 1.28 -0.12 4.03 1.01 0.24 -0.09 120.40 125.77 3jum s VAL 102 Ca 0.09 -0.62 -0.01 0.00 0.00 0.00 0.00 61.98 61.44 3jum s VAL 102 Cb -0.10 -1.11 -0.02 0.00 0.00 0.00 0.00 36.38 35.15 3jum s VAL 102 CO 0.04 0.37 -0.10 -0.70 0.00 0.00 0.00 175.10 174.72 3jum s GLU 103 N 0.14 3.25 0.32 2.72 2.12 -0.43 -0.83 118.70 125.99 3jum s GLU 103 Ca -0.05 -0.62 -0.16 0.00 0.36 0.00 0.00 54.97 54.50 3jum s GLU 103 Cb -0.11 -2.67 0.03 0.00 0.26 0.00 0.00 34.13 31.63 3jum s GLU 103 CO 0.02 0.35 0.69 0.00 -0.54 0.00 0.00 175.26 175.78 3jum s ARG 105 N -3.25 2.61 -0.06 0.00 1.81 -0.07 -0.54 118.95 119.44 3jum s ARG 105 Ca 0.16 -1.45 -0.24 0.00 -1.72 0.00 0.00 55.73 52.47 3jum s ARG 105 Cb -0.04 -2.44 0.05 0.00 -0.45 0.00 0.00 34.95 32.07 3jum s ARG 105 CO 0.10 -0.13 0.54 0.20 -0.68 0.00 0.00 175.30 175.33 3jum s GLY 106 N -4.12 -0.42 0.02 -3.53 0.00 -0.90 -0.96 107.32 97.42 3jum s GLY 106 Ca 0.47 1.01 -0.24 0.00 0.00 0.00 0.00 44.72 45.96 3jum s GLY 106 CO 0.28 0.72 0.55 -1.83 0.00 0.00 0.00 173.10 172.82 3jum s GLU 107 N -1.07 1.03 0.00 2.90 -1.05 -0.70 -1.57 118.70 118.23 3jum s GLU 107 Ca -0.11 -0.11 0.00 0.00 -0.15 0.00 0.00 54.97 54.60 3jum s GLU 107 Cb -0.02 0.47 0.00 0.00 -0.44 0.00 0.00 34.13 34.14 3jum s GLU 107 CO 0.07 -0.36 0.00 0.41 0.95 0.00 0.00 175.26 176.33 3jum n GLY 108 N 0.57 0.14 3.71 -3.83 0.00 -0.52 -2.12 105.19 103.13 3jum n GLY 108 Ca -0.19 -1.07 -0.39 0.00 0.00 0.00 0.00 46.02 44.38 3jum n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jum n ALA 109 N -0.53 1.19 -3.48 4.61 0.00 -1.26 -0.65 120.51 120.40 3jum n ALA 109 Ca 0.00 0.11 -0.32 0.00 0.00 0.00 0.00 53.44 53.23 3jum n ALA 109 Cb 0.00 -2.29 -0.17 0.00 0.00 0.00 0.00 19.45 16.99 3jum n ALA 109 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 3jum s ILE 110 N -1.33 2.05 -0.51 0.00 2.07 -0.38 -4.15 121.20 118.95 3jum s ILE 110 Ca 0.72 -0.99 0.04 0.00 -1.41 0.00 0.00 60.65 59.02 3jum s ILE 110 Cb -0.43 -1.79 0.17 0.00 0.13 0.00 0.00 42.46 40.54 3jum s ILE 110 CO 0.49 0.55 0.40 0.52 -1.91 0.00 0.00 174.94 174.99 3jum n VAL 111 N 3.84 -0.26 -3.91 4.00 0.31 0.29 -1.53 118.33 121.06 3jum n VAL 111 Ca -0.20 -3.92 -0.34 0.00 -0.01 0.00 0.00 64.34 59.87 3jum n VAL 111 Cb 0.52 -1.83 -0.05 0.00 -0.91 0.00 0.00 33.84 31.57 3jum n VAL 111 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 3jum s PHE 112 N -0.48 3.55 0.11 3.52 2.99 -1.26 -4.25 117.98 122.15 3jum s PHE 112 Ca 0.31 0.40 -0.34 0.00 0.00 0.00 0.00 56.93 57.29 3jum s PHE 112 Cb 0.02 -1.86 -0.14 0.00 0.00 0.00 0.00 43.02 41.04 3jum s PHE 112 CO -0.19 0.67 1.60 -2.30 -0.00 0.00 0.00 175.22 175.00 3jum n PRO 113 N 1.28 2.05 -1.00 0.24 -0.02 -1.26 -2.59 135.00 133.70 3jum n PRO 113 Ca -0.14 0.74 -0.00 0.00 -2.02 0.00 0.00 63.50 62.08 3jum n PRO 113 Cb 0.53 -2.51 -0.00 0.00 -0.02 0.00 0.00 33.50 31.50 3jum n PRO 113 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3jum n GLY 114 N 3.48 0.47 3.23 -1.23 0.00 -1.26 -5.03 105.19 104.85 3jum n GLY 114 Ca 0.18 -0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 3jum n GLY 114 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3jum s TYR 115 N -1.93 1.59 0.45 1.61 1.51 -1.07 -5.12 117.35 114.39 3jum s TYR 115 Ca 0.00 -0.40 -0.25 0.00 -1.01 0.00 0.00 57.07 55.41 3jum s TYR 115 Cb 0.00 -0.91 -0.08 0.00 -0.11 0.00 0.00 41.96 40.86 3jum s TYR 115 CO 0.00 0.12 1.44 -1.25 -1.11 0.00 0.00 175.55 174.75 3jum s PRO 116 N -1.55 3.68 0.32 -1.71 0.04 -1.26 -4.56 135.00 129.96 3jum s PRO 116 Ca 0.04 2.44 -0.29 0.00 0.04 0.00 0.00 61.00 63.23 3jum s PRO 116 Cb -0.09 -2.66 -0.12 0.00 0.04 0.00 0.00 34.50 31.67 3jum s PRO 116 CO 0.03 -0.83 1.42 -2.13 0.04 0.00 0.00 177.00 175.53 3jum n ARG 117 N -0.19 2.35 -4.35 4.56 0.63 -1.26 -4.79 116.66 113.61 3jum n ARG 117 Ca 0.05 0.83 -0.22 0.00 -0.92 0.00 0.00 57.85 57.59 3jum n ARG 117 Cb 0.42 -2.50 -0.08 0.00 0.45 0.00 0.00 32.46 30.75 3jum n ARG 117 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3jum n GLY 118 N 1.31 2.97 3.21 5.14 0.00 -0.58 -5.00 105.19 112.24 3jum n GLY 118 Ca 0.06 -1.96 -0.34 0.00 0.00 0.00 0.00 46.02 43.78 3jum n GLY 118 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3jum s GLN 119 N -3.45 2.99 -0.20 1.61 2.00 -1.26 -1.24 119.66 120.11 3jum s GLN 119 Ca 0.35 -0.86 -0.07 0.00 -2.00 0.00 0.00 55.36 52.78 3jum s GLN 119 Cb 0.02 -2.92 -0.03 0.00 0.80 0.00 0.00 33.01 30.88 3jum s GLN 119 CO 0.25 -0.32 0.05 -0.47 -0.50 0.00 0.00 175.29 174.30 3jum s TYR 120 N 1.36 3.16 0.00 1.67 5.04 0.17 -4.68 117.35 124.06 3jum s TYR 120 Ca 0.02 -0.14 0.02 0.00 -2.44 0.00 0.00 57.07 54.53 3jum s TYR 120 Cb -0.15 -2.11 -0.01 0.00 0.35 0.00 0.00 41.96 40.04 3jum s TYR 120 CO -0.06 -0.04 -0.06 -0.98 -1.34 0.00 0.00 175.55 173.07 3jum s ARG 121 N 0.78 0.46 0.32 4.97 1.70 -1.26 -1.44 118.95 124.48 3jum s ARG 121 Ca 0.03 -0.27 -0.08 0.00 -0.47 0.00 0.00 55.73 54.94 3jum s ARG 121 Cb -0.14 -0.41 0.01 0.00 -0.57 0.00 0.00 34.95 33.84 3jum s ARG 121 CO 0.02 0.11 0.52 1.21 -1.08 0.00 0.00 175.30 176.08 3jum s ASN 122 N -0.32 0.45 -0.18 -2.89 3.04 -0.61 -4.79 114.94 109.64 3jum s ASN 122 Ca 0.01 -1.26 -0.02 0.00 0.04 0.00 0.00 52.86 51.63 3jum s ASN 122 Cb -0.03 0.66 -0.01 0.00 -1.54 0.00 0.00 41.25 40.34 3jum s ASN 122 CO -0.00 -1.30 -0.10 -2.28 -3.04 0.00 0.00 177.10 170.38 3jum s HIS 123 N -3.25 2.88 0.07 0.43 5.65 -1.26 -2.13 115.29 117.68 3jum s HIS 123 Ca 0.26 -0.97 0.09 0.00 0.25 0.00 0.00 55.06 54.69 3jum s HIS 123 Cb -0.01 -1.99 -0.03 0.00 -1.18 0.00 0.00 32.58 29.37 3jum s HIS 123 CO 0.15 -0.49 -0.24 -0.06 -0.65 0.00 0.00 174.74 173.46 3jum s PHE 124 N 1.08 2.05 -0.09 3.88 0.40 0.29 -4.22 117.98 121.37 3jum s PHE 124 Ca 0.00 -0.39 0.04 0.00 -0.60 0.00 0.00 56.93 55.98 3jum s PHE 124 Cb -0.15 -1.18 0.00 0.00 0.51 0.00 0.00 43.02 42.20 3jum s PHE 124 CO -0.02 0.17 -0.23 -0.51 0.70 0.00 0.00 175.22 175.33 3jum s LEU 125 N -1.49 2.04 -0.04 -0.37 1.43 -0.09 -1.24 118.68 118.92 3jum s LEU 125 Ca 0.10 -0.53 0.06 0.00 -1.03 0.00 0.00 54.13 52.73 3jum s LEU 125 Cb -0.10 -1.34 -0.02 0.00 0.03 0.00 0.00 46.19 44.76 3jum s LEU 125 CO 0.03 0.15 -0.21 -1.00 0.23 0.00 0.00 176.35 175.55 3jum s HIS 126 N 0.34 2.50 -0.13 0.29 3.76 -0.01 -0.38 115.29 121.66 3jum s HIS 126 Ca -0.18 -0.33 -0.03 0.00 -0.15 0.00 0.00 55.06 54.37 3jum s HIS 126 Cb -0.17 -1.56 -0.03 0.00 1.11 0.00 0.00 32.58 31.92 3jum s HIS 126 CO 0.08 0.05 -0.01 0.45 -0.85 0.00 0.00 174.74 174.46 3jum s SER 127 N -0.64 5.06 -0.10 1.40 0.15 -0.11 -0.60 113.70 118.86 3jum s SER 127 Ca 0.10 -0.00 0.00 0.00 0.70 0.00 0.00 55.95 56.75 3jum s SER 127 Cb -0.10 -1.68 0.02 0.00 -1.71 0.00 0.00 66.02 62.55 3jum s SER 127 CO -0.00 0.25 -0.09 -0.36 1.20 0.00 0.00 173.24 174.24 3jum s PHE 128 N -0.09 1.45 -0.01 3.44 0.08 0.12 -1.27 117.98 121.70 3jum s PHE 128 Ca 0.03 -0.67 0.06 0.00 0.12 0.00 0.00 56.93 56.47 3jum s PHE 128 Cb -0.13 -1.17 -0.03 0.00 -0.57 0.00 0.00 43.02 41.12 3jum s PHE 128 CO 0.02 -0.45 -0.19 1.03 -0.10 0.00 0.00 175.22 175.53 3jum s ARG 129 N 1.44 2.24 0.19 0.44 0.52 -0.25 -0.88 118.95 122.65 3jum s ARG 129 Ca -0.00 -0.86 0.10 0.00 -0.52 0.00 0.00 55.73 54.45 3jum s ARG 129 Cb -0.13 -2.21 -0.04 0.00 0.52 0.00 0.00 34.95 33.08 3jum s ARG 129 CO -0.05 0.58 -0.15 -0.06 0.02 0.00 0.00 175.30 175.63 3jum s PHE 130 N -0.75 2.50 -0.14 -0.53 0.08 0.08 0.04 117.98 119.25 3jum s PHE 130 Ca 0.12 -0.28 -0.06 0.00 0.12 0.00 0.00 56.93 56.83 3jum s PHE 130 Cb -0.10 -1.22 0.06 0.00 -0.57 0.00 0.00 43.02 41.18 3jum s PHE 130 CO 0.01 0.51 0.31 -2.00 -0.10 0.00 0.00 175.22 173.96 3jum s GLU 131 N -2.78 0.26 -1.46 0.44 2.12 0.05 -4.76 118.70 112.57 3jum s GLU 131 Ca 0.23 0.69 -0.08 0.00 0.36 0.00 0.00 54.97 56.17 3jum s GLU 131 Cb -0.08 -0.04 0.04 0.00 0.26 0.00 0.00 34.13 34.31 3jum s GLU 131 CO 0.13 -0.19 0.76 0.09 -0.54 0.00 0.00 175.26 175.50 3jum n ASN 132 N 4.55 -5.43 0.00 -1.70 3.02 -1.26 -1.93 115.26 112.51 3jum n ASN 132 Ca -0.20 -0.44 0.00 0.00 -0.03 0.00 0.00 54.58 53.91 3jum n ASN 132 Cb 0.53 -4.37 0.00 0.00 -0.61 0.00 0.00 39.78 35.33 3jum n ASN 132 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3jum n GLY 133 N -1.57 0.43 3.33 7.41 0.00 -1.26 -5.01 105.19 108.53 3jum n GLY 133 Ca -0.04 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.80 3jum n GLY 133 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3jum s LEU 134 N 0.00 2.51 -0.12 0.99 1.43 -0.82 -4.90 118.68 117.77 3jum s LEU 134 Ca 0.00 -1.06 -0.29 0.00 -1.03 0.00 0.00 54.13 51.75 3jum s LEU 134 Cb 0.00 -0.56 -0.01 0.00 0.03 0.00 0.00 46.19 45.65 3jum s LEU 134 CO 0.00 -0.26 1.11 -0.63 0.23 0.00 0.00 176.35 176.80 3jum s ILE 135 N -3.10 4.52 -0.11 -0.59 1.01 0.28 -0.77 121.20 122.43 3jum s ILE 135 Ca 0.22 1.82 0.15 0.00 0.00 0.00 0.00 60.65 62.85 3jum s ILE 135 Cb 0.01 -4.17 -0.24 0.00 0.01 0.00 0.00 42.46 38.07 3jum s ILE 135 CO 0.06 -0.06 0.39 1.17 0.00 0.00 0.00 174.94 176.51 3jum n LYS 136 N 5.58 0.66 -3.66 2.79 3.00 0.11 -0.88 118.16 125.76 3jum n LYS 136 Ca 0.11 0.16 -0.07 0.00 -0.00 0.00 0.00 58.31 58.51 3jum n LYS 136 Cb 0.47 -1.67 -0.08 0.00 0.00 0.00 0.00 35.03 33.75 3jum n LYS 136 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 3jum s GLU 137 N -2.55 0.41 -0.08 1.64 2.12 -0.73 -1.02 118.70 118.50 3jum s GLU 137 Ca -0.07 1.11 0.03 0.00 0.36 0.00 0.00 54.97 56.40 3jum s GLU 137 Cb 0.07 0.40 -0.02 0.00 0.26 0.00 0.00 34.13 34.84 3jum s GLU 137 CO 0.83 -0.22 -0.15 -1.14 -0.54 0.00 0.00 175.26 174.03 3jum s GLN 138 N 2.47 2.80 -0.03 4.30 -0.44 0.27 -1.09 119.66 127.95 3jum s GLN 138 Ca -0.04 -0.72 0.01 0.00 -2.50 0.00 0.00 55.36 52.11 3jum s GLN 138 Cb -0.11 -2.43 0.02 0.00 -1.64 0.00 0.00 33.01 28.84 3jum s GLN 138 CO -0.15 0.45 -0.04 1.03 0.50 0.00 0.00 175.29 177.09 3jum s ARG 139 N -0.29 0.57 -0.17 1.67 0.52 -0.39 -2.85 118.95 118.01 3jum s ARG 139 Ca 0.02 -0.08 -0.07 0.00 -0.52 0.00 0.00 55.73 55.07 3jum s ARG 139 Cb -0.13 -0.62 -0.04 0.00 0.52 0.00 0.00 34.95 34.68 3jum s ARG 139 CO 0.03 -0.03 0.08 -2.00 0.02 0.00 0.00 175.30 173.39 3jum s GLU 140 N 0.62 3.84 -0.12 3.54 2.12 -0.46 -0.94 118.70 127.31 3jum s GLU 140 Ca -0.07 -0.29 0.01 0.00 0.36 0.00 0.00 54.97 54.98 3jum s GLU 140 Cb -0.11 -3.21 0.02 0.00 0.26 0.00 0.00 34.13 31.09 3jum s GLU 140 CO -0.00 0.40 -0.16 -0.06 -0.54 0.00 0.00 175.26 174.90 3jum s PHE 141 N 0.03 2.10 0.30 5.30 0.40 0.48 -0.38 117.98 126.21 3jum s PHE 141 Ca 0.07 -1.06 0.04 0.00 -0.60 0.00 0.00 56.93 55.37 3jum s PHE 141 Cb -0.12 -1.52 -0.01 0.00 0.51 0.00 0.00 43.02 41.88 3jum s PHE 141 CO 0.00 -0.55 0.31 0.00 0.70 0.00 0.00 175.22 175.69 3jum n MET 142 N 4.37 0.45 -3.37 0.44 0.00 -1.26 -0.91 117.12 116.84 3jum n MET 142 Ca -0.18 -2.75 -0.44 0.00 0.00 0.00 0.00 57.70 54.33 3jum n MET 142 Cb 0.51 2.39 -0.08 0.00 0.00 0.00 0.00 33.22 36.03 3jum n MET 142 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 175.97 177.18 3jum s ASN 143 N -2.99 6.15 0.61 3.17 3.84 -1.26 -4.83 114.94 119.64 3jum s ASN 143 Ca 0.31 -1.09 0.32 0.00 0.21 0.00 0.00 52.86 52.62 3jum s ASN 143 Cb 0.01 -2.20 1.85 0.00 -0.55 0.00 0.00 41.25 40.36 3jum s ASN 143 CO 0.22 -0.62 2.17 -0.65 -2.79 0.00 0.00 177.10 175.44 3jum h PRO 144 N 8.75 0.00 0.00 0.43 0.11 -1.96 -2.08 132.00 137.25 3jum h PRO 144 Ca -0.28 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.82 3jum h PRO 144 Cb 1.11 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 3jum h PRO 144 CO 0.84 0.00 -0.07 0.00 -0.21 0.00 0.00 178.00 178.56 3jum h GLU 146 N 0.00 0.26 -0.24 0.00 4.39 -1.72 -1.81 114.58 115.46 3jum h GLU 146 Ca -0.00 -0.19 -0.19 0.00 0.34 0.00 0.00 59.36 59.31 3jum h GLU 146 Cb 0.12 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 3jum h GLU 146 CO 0.01 0.81 -0.61 0.37 -1.16 0.00 0.00 179.01 178.43 3jum h GLN 147 N 0.19 0.84 -0.42 2.33 4.15 -1.35 -2.22 115.11 118.63 3jum h GLN 147 Ca -0.01 -0.58 0.08 0.00 0.77 0.00 0.00 58.65 58.91 3jum h GLN 147 Cb 1.16 0.09 -0.09 0.00 0.21 0.00 0.00 27.48 28.85 3jum h GLN 147 CO 0.10 1.21 -0.32 0.74 -1.93 0.00 0.00 178.83 178.63 3jum h PHE 148 N 0.61 -0.88 -0.77 3.99 0.04 -0.87 -2.05 116.94 117.01 3jum h PHE 148 Ca -0.01 0.06 0.08 0.00 2.80 0.00 0.00 57.97 60.91 3jum h PHE 148 Cb 1.23 0.45 -0.07 0.00 2.20 0.00 0.00 35.95 39.76 3jum h PHE 148 CO 0.08 -0.38 0.43 0.00 -0.60 0.00 0.00 178.31 177.84 3jum h ARG 149 N -0.23 0.72 0.00 1.51 3.08 -1.24 -0.48 114.38 117.73 3jum h ARG 149 Ca 0.18 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.16 3jum h ARG 149 Cb 0.54 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.42 3jum h ARG 149 CO -0.55 0.47 -0.13 0.66 -1.07 0.00 0.00 179.97 179.35 3jum h SER 150 N 0.74 0.00 -0.23 7.04 4.64 -0.74 -1.99 113.55 123.01 3jum h SER 150 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 3jum h SER 150 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 3jum h SER 150 CO -0.23 0.13 0.00 0.18 -0.87 0.00 0.00 176.83 176.04 3jum n LEU 151 N -3.84 2.49 -0.04 5.97 4.77 -0.67 -4.16 117.00 121.53 3jum n LEU 151 Ca -0.02 -1.02 -0.01 0.00 -0.03 0.00 0.00 56.01 54.93 3jum n LEU 151 Cb 0.23 -0.14 -0.00 0.00 -2.33 0.00 0.00 43.42 41.17 3jum n LEU 151 CO 0.32 0.51 -0.01 0.61 -1.33 0.00 0.00 177.39 177.49 3jum n GLY 152 N 1.30 0.47 3.72 -0.72 0.00 -0.75 -4.43 105.19 104.79 3jum n GLY 152 Ca 0.17 -0.23 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 3jum n GLY 152 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3jum s ILE 153 N -1.94 4.91 0.27 -0.61 1.01 -0.28 -5.00 121.20 119.57 3jum s ILE 153 Ca 0.00 1.70 -0.30 0.00 0.00 0.00 0.00 60.65 62.05 3jum s ILE 153 Cb 0.00 -4.15 -0.10 0.00 0.01 0.00 0.00 42.46 38.22 3jum s ILE 153 CO 0.00 0.25 1.37 -0.70 0.00 0.00 0.00 174.94 175.85 3jum s GLU 154 N 0.68 4.32 -0.15 2.79 2.56 -1.26 -4.02 118.70 123.62 3jum s GLU 154 Ca 0.43 2.22 -0.02 0.00 0.00 0.00 0.00 54.97 57.59 3jum s GLU 154 Cb -0.19 -3.11 -0.02 0.00 2.00 0.00 0.00 34.13 32.80 3jum s GLU 154 CO 0.23 -0.30 -0.07 0.08 -0.56 0.00 0.00 175.26 174.63 3jum s VAL 155 N -0.38 3.52 0.78 3.70 1.01 -1.26 -5.02 120.40 122.75 3jum s VAL 155 Ca 0.55 -0.49 -0.11 0.00 0.00 0.00 0.00 61.98 61.94 3jum s VAL 155 Cb -0.40 -2.53 0.06 0.00 0.00 0.00 0.00 36.38 33.51 3jum s VAL 155 CO 0.46 0.50 1.09 -2.16 0.00 0.00 0.00 175.10 174.98 3jum s PRO 156 N 0.49 2.21 -0.23 2.72 0.04 -1.26 -5.02 135.00 133.95 3jum s PRO 156 Ca -0.06 1.11 -0.03 0.00 0.04 0.00 0.00 61.00 62.07 3jum s PRO 156 Cb -0.15 -1.90 0.01 0.00 0.04 0.00 0.00 34.50 32.50 3jum s PRO 156 CO 0.03 -1.66 -0.05 -1.21 0.04 0.00 0.00 177.00 174.15 3jum s GLU 157 N -4.92 3.16 -0.05 4.56 2.02 -1.26 -5.08 118.70 117.13 3jum s GLU 157 Ca 0.61 -0.77 -0.30 0.00 0.02 0.00 0.00 54.97 54.54 3jum s GLU 157 Cb -0.17 -2.99 -0.02 0.00 0.10 0.00 0.00 34.13 31.05 3jum s GLU 157 CO 0.56 -0.28 0.99 0.08 0.02 0.00 0.00 175.26 176.63 3jum s VAL 158 N 1.42 4.84 -0.16 2.63 1.01 -1.26 -5.02 120.40 123.86 3jum s VAL 158 Ca 0.04 2.04 -0.18 0.00 0.00 0.00 0.00 61.98 63.88 3jum s VAL 158 Cb -0.15 -4.31 -0.04 0.00 0.00 0.00 0.00 36.38 31.88 3jum s VAL 158 CO -0.04 0.09 0.46 -0.13 0.00 0.00 0.00 175.10 175.49 3jum s ARG 159 N 1.45 4.27 -0.91 2.72 0.52 -1.26 -5.03 118.95 120.71 3jum s ARG 159 Ca 0.50 0.38 -0.02 0.00 -0.52 0.00 0.00 55.73 56.07 3jum s ARG 159 Cb -0.20 -3.48 0.24 0.00 0.52 0.00 0.00 34.95 32.03 3jum s ARG 159 CO 0.23 0.05 0.88 0.54 0.02 0.00 0.00 175.30 177.02 3jum n ARG 160 N 4.08 2.87 -0.25 3.54 1.74 -1.26 -4.97 116.66 122.41 3jum n ARG 160 Ca -0.07 -4.51 0.05 0.00 -0.77 0.00 0.00 57.85 52.56 3jum n ARG 160 Cb 0.51 -2.42 0.18 0.00 -1.02 0.00 0.00 32.46 29.72 3jum n ARG 160 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 3jum h ASP 161 N 5.79 0.17 -0.03 0.55 5.19 -2.05 -1.68 116.42 124.35 3jum h ASP 161 Ca 0.17 0.12 0.00 0.00 -0.62 0.00 0.00 57.03 56.70 3jum h ASP 161 Cb 0.78 0.13 0.00 0.00 0.18 0.00 0.00 39.33 40.42 3jum h ASP 161 CO 0.92 0.05 0.00 0.61 -3.12 0.00 0.00 179.24 177.69 3jum n GLY 162 N -1.33 -0.64 3.66 2.75 0.00 -1.26 -4.89 105.19 103.47 3jum n GLY 162 Ca 0.14 -0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 3jum n GLY 162 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3jum s LEU 163 N -1.73 4.24 0.60 0.99 2.96 -0.64 -4.90 118.68 120.20 3jum s LEU 163 Ca 0.35 2.07 -0.18 0.00 -0.22 0.00 0.00 54.13 56.14 3jum s LEU 163 Cb 0.17 -3.53 -0.03 0.00 0.50 0.00 0.00 46.19 43.29 3jum s LEU 163 CO 0.27 -0.95 1.19 -2.84 -1.32 0.00 0.00 176.35 172.71 3jum s PRO 164 N 4.05 2.97 0.00 0.98 0.02 -1.26 -5.12 135.00 136.64 3jum s PRO 164 Ca 0.70 1.78 0.22 0.00 0.02 0.00 0.00 61.00 63.72 3jum s PRO 164 Cb -0.30 -1.93 0.18 0.00 0.02 0.00 0.00 34.50 32.46 3jum s PRO 164 CO 0.27 -1.19 1.20 0.43 -0.33 0.00 0.00 177.00 177.38