#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jum s ASN 9 N 0.00 6.82 0.25 4.31 2.47 -1.26 -4.74 114.94 122.78 3jum s ASN 9 Ca 0.00 -2.43 0.10 0.00 0.42 0.00 0.00 52.86 50.95 3jum s ASN 9 Cb 0.00 -2.43 -0.04 0.00 -1.45 0.00 0.00 41.25 37.32 3jum s ASN 9 CO 0.00 -0.98 -0.10 0.42 -3.72 0.00 0.00 177.10 172.72 3jum s THR 10 N 2.57 3.02 0.39 -5.21 -4.23 -1.26 -5.01 115.64 105.92 3jum s THR 10 Ca 0.40 -2.01 0.14 0.00 -1.18 0.00 0.00 61.69 59.04 3jum s THR 10 Cb -0.03 -2.57 0.35 0.00 1.34 0.00 0.00 72.50 71.59 3jum s THR 10 CO -0.04 -0.30 1.87 0.77 -0.54 0.00 0.00 174.62 176.37 3jum h SER 11 N 2.33 0.51 -0.00 3.99 4.64 -1.98 0.03 113.55 123.06 3jum h SER 11 Ca -0.44 0.04 -0.18 0.00 -0.47 0.00 0.00 61.79 60.75 3jum h SER 11 Cb 1.24 -0.06 0.01 0.00 -0.31 0.00 0.00 62.40 63.29 3jum h SER 11 CO 0.58 0.23 -0.70 -0.33 -0.87 0.00 0.00 176.83 175.75 3jum h GLU 12 N 0.53 0.48 -0.56 4.77 4.39 -1.96 -0.52 114.58 121.71 3jum h GLU 12 Ca 0.45 -0.51 -0.05 0.00 0.34 0.00 0.00 59.36 59.60 3jum h GLU 12 Cb 0.95 0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 29.72 3jum h GLU 12 CO -0.19 1.15 0.16 -0.91 -1.16 0.00 0.00 179.01 178.06 3jum h ASN 13 N 0.01 0.82 -0.94 1.42 2.35 -1.75 -2.40 115.58 115.09 3jum h ASN 13 Ca -0.09 -0.22 0.10 0.00 -0.55 0.00 0.00 56.30 55.55 3jum h ASN 13 Cb 1.39 -0.22 -0.08 0.00 0.05 0.00 0.00 38.32 39.47 3jum h ASN 13 CO 0.14 0.83 0.58 0.03 -1.65 0.00 0.00 177.43 177.35 3jum h ARG 14 N 0.78 0.92 -0.57 0.81 3.08 -0.94 -1.28 114.38 117.17 3jum h ARG 14 Ca 0.18 -0.06 -0.11 0.00 0.07 0.00 0.00 59.98 60.07 3jum h ARG 14 Cb 0.31 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 3jum h ARG 14 CO -0.00 0.61 -0.06 0.00 -1.07 0.00 0.00 179.97 179.44 3jum h ALA 15 N 1.50 0.82 -0.28 0.04 0.00 -0.80 -0.60 119.26 119.93 3jum h ALA 15 Ca 0.45 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3jum h ALA 15 Cb 0.41 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3jum h ALA 15 CO -0.25 0.67 0.11 1.96 0.00 0.00 0.00 179.25 181.74 3jum h GLN 16 N 0.93 0.41 -0.36 0.00 4.20 -0.89 -1.30 115.11 118.11 3jum h GLN 16 Ca 0.15 -0.07 0.04 0.00 0.06 0.00 0.00 58.65 58.83 3jum h GLN 16 Cb 0.62 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 28.30 3jum h GLN 16 CO 0.04 0.43 0.13 0.28 -0.67 0.00 0.00 178.83 179.04 3jum h VAL 17 N 0.30 0.91 -0.62 -0.54 2.07 -0.98 -1.36 116.25 116.03 3jum h VAL 17 Ca 0.09 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.51 3jum h VAL 17 Cb 0.17 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.50 3jum h VAL 17 CO -0.01 0.05 0.39 0.00 0.02 0.00 0.00 177.57 178.03 3jum h ALA 18 N 1.22 0.78 -0.18 1.67 0.00 -0.88 -0.63 119.26 121.24 3jum h ALA 18 Ca 0.16 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3jum h ALA 18 Cb 0.13 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3jum h ALA 18 CO -0.16 0.23 0.09 0.00 0.00 0.00 0.00 179.25 179.42 3jum h ALA 19 N 1.21 0.23 -0.70 0.00 0.00 -1.08 -0.95 119.26 117.97 3jum h ALA 19 Ca 0.22 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.09 3jum h ALA 19 Cb -0.07 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 3jum h ALA 19 CO -0.05 -0.21 0.44 -0.09 0.00 0.00 0.00 179.25 179.34 3jum h ARG 20 N 0.17 0.84 -0.65 0.00 2.43 -0.89 -0.20 114.38 116.08 3jum h ARG 20 Ca 0.06 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.16 3jum h ARG 20 Cb 0.11 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.44 3jum h ARG 20 CO -0.01 0.56 0.32 0.37 -1.51 0.00 0.00 179.97 179.70 3jum h GLN 21 N 0.87 0.93 -0.12 0.20 4.15 -0.94 0.45 115.11 120.66 3jum h GLN 21 Ca 0.28 -0.14 -0.02 0.00 0.77 0.00 0.00 58.65 59.54 3jum h GLN 21 Cb 0.00 -0.17 -0.00 0.00 0.21 0.00 0.00 27.48 27.52 3jum h GLN 21 CO -0.10 0.74 0.01 1.25 -1.93 0.00 0.00 178.83 178.80 3jum h HIS 22 N 0.90 0.22 -0.58 3.99 2.76 -0.93 -2.49 115.15 119.01 3jum h HIS 22 Ca 0.22 -0.04 -0.05 0.00 -2.20 0.00 0.00 60.37 58.31 3jum h HIS 22 Cb 0.11 -0.06 -0.03 0.00 1.55 0.00 0.00 27.41 28.99 3jum h HIS 22 CO 0.00 0.44 0.17 -0.91 -1.30 0.00 0.00 177.93 176.33 3jum h ASN 23 N -0.05 0.82 -0.75 3.26 2.35 -0.77 -2.58 115.58 117.86 3jum h ASN 23 Ca 0.03 -0.14 -0.00 0.00 -0.55 0.00 0.00 56.30 55.64 3jum h ASN 23 Cb 0.34 -0.21 -0.04 0.00 0.05 0.00 0.00 38.32 38.46 3jum h ASN 23 CO 0.01 0.79 0.47 -0.09 -1.65 0.00 0.00 177.43 176.95 3jum h ARG 24 N 0.86 1.01 -0.43 0.81 2.43 -0.75 -0.88 114.38 117.43 3jum h ARG 24 Ca 0.19 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 3jum h ARG 24 Cb 0.27 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 3jum h ARG 24 CO -0.01 0.70 0.21 0.87 -1.51 0.00 0.00 179.97 180.23 3jum h LYS 25 N 1.02 0.60 -0.21 0.20 1.79 -1.07 -0.07 116.57 118.83 3jum h LYS 25 Ca 0.27 -0.07 -0.21 0.00 -2.18 0.00 0.00 60.65 58.47 3jum h LYS 25 Cb -0.06 -0.12 0.01 0.00 -1.58 0.00 0.00 32.23 30.47 3jum h LYS 25 CO -0.05 0.47 -0.69 0.82 -1.08 0.00 0.00 179.45 178.91 3jum h ILE 26 N 0.60 1.28 -0.35 1.86 1.08 -0.99 -0.61 117.51 120.38 3jum h ILE 26 Ca 0.15 -1.88 0.05 0.00 -0.39 0.00 0.00 64.86 62.80 3jum h ILE 26 Cb 0.07 1.84 -0.05 0.00 -3.07 0.00 0.00 36.82 35.61 3jum h ILE 26 CO -0.02 0.60 0.05 0.58 -0.69 0.00 0.00 178.15 178.67 3jum h VAL 27 N 0.59 0.80 -0.33 1.67 2.07 -0.77 -0.07 116.25 120.21 3jum h VAL 27 Ca -0.03 -0.06 0.03 0.00 0.82 0.00 0.00 66.70 67.47 3jum h VAL 27 Cb 1.31 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 31.67 3jum h VAL 27 CO 0.14 0.03 0.14 -0.33 0.02 0.00 0.00 177.57 177.57 3jum h GLU 28 N 0.16 0.29 -0.24 1.57 5.08 -0.82 -0.80 114.58 119.82 3jum h GLU 28 Ca 0.17 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.52 3jum h GLU 28 Cb 0.20 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 3jum h GLU 28 CO -0.24 0.19 0.12 0.37 -1.00 0.00 0.00 179.01 178.45 3jum h GLN 29 N 0.29 0.25 -0.33 2.33 4.15 -0.78 -1.36 115.11 119.67 3jum h GLN 29 Ca 0.14 -0.01 0.07 0.00 0.77 0.00 0.00 58.65 59.62 3jum h GLN 29 Cb 0.09 -0.06 -0.07 0.00 0.21 0.00 0.00 27.48 27.65 3jum h GLN 29 CO -0.12 0.16 -0.11 -0.92 -1.93 0.00 0.00 178.83 175.91 3jum h TYR 30 N 0.25 -0.26 0.00 3.99 3.20 -0.56 -2.12 116.97 121.47 3jum h TYR 30 Ca 0.10 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.98 3jum h TYR 30 Cb 0.02 0.17 -0.00 0.00 1.54 0.00 0.00 36.73 38.46 3jum h TYR 30 CO -0.09 -0.18 -0.08 0.52 -1.64 0.00 0.00 178.16 176.68 3jum h MET 31 N -0.04 0.00 -0.03 1.82 2.86 -0.82 -2.17 114.93 116.55 3jum h MET 31 Ca 0.17 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.81 3jum h MET 31 Cb 0.30 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.96 3jum h MET 31 CO -0.37 0.08 -0.00 0.72 1.06 0.00 0.00 176.91 178.41 3jum n HIS 32 N -3.30 0.00 -2.39 -0.22 8.25 -0.54 -4.54 115.22 112.48 3jum n HIS 32 Ca -0.01 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.03 3jum n HIS 32 Cb 0.29 -0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.37 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 -2.00 4.17 0.11 1.59 2.01 -0.82 -4.99 115.64 115.70 3jum s THR 33 Ca 0.31 1.46 0.02 0.00 0.31 0.00 0.00 61.69 63.78 3jum s THR 33 Cb 0.20 -3.94 -0.04 0.00 0.01 0.00 0.00 72.50 68.73 3jum s THR 33 CO 0.31 -0.07 -0.06 -0.13 -0.69 0.00 0.00 174.62 173.97 3jum s ARG 34 N 3.01 0.87 4.69 4.92 0.52 -1.26 -4.79 118.95 126.91 3jum s ARG 34 Ca 0.57 -1.36 0.00 0.00 -0.52 0.00 0.00 55.73 54.42 3jum s ARG 34 Cb -0.24 -0.24 0.00 0.00 0.52 0.00 0.00 34.95 34.98 3jum s ARG 34 CO 0.19 -0.02 0.00 0.41 0.02 0.00 0.00 175.30 175.90 3jum n GLY 35 N -0.07 1.70 0.30 -3.53 0.00 -1.26 -2.63 105.19 99.69 3jum n GLY 35 Ca -0.11 -0.54 0.19 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.20 1.61 4.39 -1.99 -0.75 114.58 117.65 3jum h GLU 36 Ca 0.00 0.00 0.06 0.00 0.34 0.00 0.00 59.36 59.76 3jum h GLU 36 Cb 0.00 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 3jum h GLU 36 CO 0.00 0.02 0.19 0.00 -1.16 0.00 0.00 179.01 178.06 3jum h ALA 37 N 1.98 1.89 -0.03 3.43 0.00 -1.91 -0.72 119.26 123.90 3jum h ALA 37 Ca -0.00 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.91 3jum h ALA 37 Cb 0.25 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 3jum h ALA 37 CO 0.00 -0.30 0.07 0.00 0.00 0.00 0.00 179.25 179.03 3jum h ARG 38 N 0.00 0.00 0.00 0.00 3.08 -1.22 -1.74 114.38 114.50 3jum h ARG 38 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 3jum h ARG 38 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.53 3jum h ARG 38 CO -0.00 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.18 3jum n LEU 39 N -3.43 0.39 -0.32 3.04 4.77 -0.28 -2.37 117.00 118.81 3jum n LEU 39 Ca -0.02 0.59 0.03 0.00 -0.03 0.00 0.00 56.01 56.58 3jum n LEU 39 Cb 0.15 -0.54 0.08 0.00 -2.33 0.00 0.00 43.42 40.79 3jum n LEU 39 CO 0.23 -0.41 0.57 0.29 -1.33 0.00 0.00 177.39 176.74 3jum n LYS 40 N -1.92 2.88 0.24 3.23 5.02 -0.66 -4.70 118.16 122.24 3jum n LYS 40 Ca 0.03 -1.83 0.09 0.00 -2.02 0.00 0.00 58.31 54.57 3jum n LYS 40 Cb 0.21 -1.17 0.61 0.00 -0.02 0.00 0.00 35.03 34.66 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 0.95 0.00 -0.02 1.97 2.43 -1.37 -1.42 114.38 116.93 3jum h ARG 41 Ca 0.00 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.18 3jum h ARG 41 Cb 0.65 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.20 3jum h ARG 41 CO 0.01 0.16 0.04 1.12 -1.51 0.00 0.00 179.97 179.79 3jum h HIS 42 N 0.00 0.00 0.00 2.20 2.07 -1.84 -1.98 115.15 115.60 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 0.33 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.31 3jum h HIS 42 CO 0.00 0.00 0.00 1.28 -3.07 0.00 0.00 177.93 176.14 3jum n LEU 43 N -3.43 0.24 0.00 6.12 4.77 -0.53 -1.87 117.00 122.29 3jum n LEU 43 Ca -0.02 0.56 0.14 0.00 -0.03 0.00 0.00 56.01 56.66 3jum n LEU 43 Cb 0.12 -0.53 0.69 0.00 -2.33 0.00 0.00 43.42 41.37 3jum n LEU 43 CO 0.23 -0.38 0.97 0.18 -1.33 0.00 0.00 177.39 177.07 3jum n LEU 44 N -1.77 0.00 -4.86 2.23 4.77 -0.74 -4.88 117.00 111.75 3jum n LEU 44 Ca 0.03 0.33 -0.26 0.00 -0.03 0.00 0.00 56.01 56.08 3jum n LEU 44 Cb 0.18 -0.33 -0.04 0.00 -2.33 0.00 0.00 43.42 40.90 3jum n LEU 44 CO 0.15 -0.02 -0.17 -0.36 -1.33 0.00 0.00 177.39 175.66 3jum s PHE 45 N -2.66 3.28 1.01 -1.77 0.08 -0.78 -0.49 117.98 116.63 3jum s PHE 45 Ca 0.24 0.03 -0.11 0.00 0.12 0.00 0.00 56.93 57.20 3jum s PHE 45 Cb 0.19 -1.56 0.20 0.00 -0.57 0.00 0.00 43.02 41.27 3jum s PHE 45 CO 0.45 0.52 1.10 0.95 -0.10 0.00 0.00 175.22 178.13 3jum s THR 46 N -1.77 2.12 0.40 0.64 -4.23 -0.12 -4.72 115.64 107.96 3jum s THR 46 Ca 0.32 0.04 0.08 0.00 -1.18 0.00 0.00 61.69 60.95 3jum s THR 46 Cb -0.10 -2.11 0.22 0.00 1.34 0.00 0.00 72.50 71.85 3jum s THR 46 CO 0.25 -0.05 2.00 -0.08 -0.54 0.00 0.00 174.62 176.20 3jum h GLU 47 N -2.13 0.44 -0.59 3.99 4.81 -1.96 -0.34 114.58 118.80 3jum h GLU 47 Ca -0.51 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.67 3jum h GLU 47 Cb 1.29 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.59 3jum h GLU 47 CO 0.46 0.38 0.00 -0.40 -0.73 0.00 0.00 179.01 178.72 3jum n ASP 48 N -4.40 4.95 -4.74 1.04 3.85 -1.26 -1.12 116.55 114.87 3jum n ASP 48 Ca 0.02 -2.62 -0.34 0.00 -0.71 0.00 0.00 54.79 51.13 3jum n ASP 48 Cb 0.14 -0.60 0.07 0.00 -1.35 0.00 0.00 41.12 39.38 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 -0.96 2.32 -0.02 6.12 0.00 -0.14 -4.21 107.32 110.44 3jum s GLY 49 Ca 0.51 0.79 0.08 0.00 0.00 0.00 0.00 44.72 46.10 3jum s GLY 49 CO 0.21 1.18 -0.25 0.14 0.00 0.00 0.00 173.10 174.38 3jum s VAL 50 N -2.06 1.97 0.33 1.40 1.01 -0.43 0.20 120.40 122.82 3jum s VAL 50 Ca 0.72 -1.08 0.05 0.00 0.00 0.00 0.00 61.98 61.67 3jum s VAL 50 Cb -0.27 -1.63 -0.03 0.00 0.00 0.00 0.00 36.38 34.45 3jum s VAL 50 CO 0.43 0.54 0.19 -0.83 0.00 0.00 0.00 175.10 175.44 3jum s GLY 51 N -0.61 2.26 0.00 4.51 0.00 -0.64 -0.70 107.32 112.13 3jum s GLY 51 Ca 0.10 -1.74 0.00 0.00 0.00 0.00 0.00 44.72 43.07 3jum s GLY 51 CO -0.01 -1.59 0.00 0.61 0.00 0.00 0.00 173.10 172.11 3jum n GLY 52 N -0.66 0.51 3.36 0.20 0.00 -1.13 0.08 105.19 107.54 3jum n GLY 52 Ca 0.02 -1.72 -0.36 0.00 0.00 0.00 0.00 46.02 43.96 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 3.19 0.00 0.99 2.96 -0.54 -1.48 118.68 123.81 3jum s LEU 53 Ca 0.00 -0.37 0.22 0.00 -0.22 0.00 0.00 54.13 53.76 3jum s LEU 53 Cb 0.00 -1.82 -0.02 0.00 0.50 0.00 0.00 46.19 44.85 3jum s LEU 53 CO 0.00 -0.04 1.02 0.79 -1.32 0.00 0.00 176.35 176.79 3jum n TRP 54 N 4.85 0.03 -3.97 5.38 8.01 0.88 -0.61 117.44 132.01 3jum n TRP 54 Ca -0.17 0.01 -0.32 0.00 -1.31 0.00 0.00 57.50 55.71 3jum n TRP 54 Cb 0.51 -0.14 -0.14 0.00 -2.01 0.00 0.00 31.31 29.52 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 -3.05 2.51 0.31 -0.99 -4.23 -1.23 -4.40 115.64 104.55 3jum s THR 55 Ca 0.07 -2.17 0.07 0.00 -1.18 0.00 0.00 61.69 58.48 3jum s THR 55 Cb 0.16 -2.77 -0.06 0.00 1.34 0.00 0.00 72.50 71.17 3jum s THR 55 CO 0.82 -0.54 -0.04 0.42 -0.54 0.00 0.00 174.62 174.74 3jum s THR 56 N 0.99 1.70 0.38 3.99 -4.23 -1.26 -4.68 115.64 112.52 3jum s THR 56 Ca 0.08 -2.11 0.25 0.00 -1.18 0.00 0.00 61.69 58.73 3jum s THR 56 Cb -0.20 -2.57 0.27 0.00 1.34 0.00 0.00 72.50 71.34 3jum s THR 56 CO -0.07 -0.22 2.02 -2.24 -0.54 0.00 0.00 174.62 173.57 3jum h ASP 57 N 2.18 0.00 1.39 3.99 3.04 -1.96 -2.11 116.42 122.95 3jum h ASP 57 Ca -0.41 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.38 3jum h ASP 57 Cb 1.24 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.53 3jum h ASP 57 CO 0.69 0.15 -0.10 -1.54 -2.04 0.00 0.00 179.24 176.41 3jum n SER 58 N -3.67 0.81 0.00 4.15 3.41 -1.26 -4.92 113.62 112.13 3jum n SER 58 Ca -0.02 0.51 0.00 0.00 -0.26 0.00 0.00 58.87 59.10 3jum n SER 58 Cb 0.27 -0.65 0.00 0.00 -0.26 0.00 0.00 64.21 63.57 3jum n SER 58 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3jum n GLY 59 N 1.31 1.42 3.58 5.00 0.00 -0.80 -5.04 105.19 110.66 3jum n GLY 59 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.44 2.53 0.87 1.61 -1.52 -1.26 -4.91 119.66 116.54 3jum s GLN 60 Ca 0.00 -0.72 -0.11 0.00 -1.95 0.00 0.00 55.36 52.57 3jum s GLN 60 Cb 0.00 -2.48 0.12 0.00 -0.22 0.00 0.00 33.01 30.43 3jum s GLN 60 CO 0.00 0.60 1.17 -2.14 -0.25 0.00 0.00 175.29 174.68 3jum s PRO 61 N -1.33 1.24 -0.39 2.91 0.02 -1.26 -4.53 135.00 131.67 3jum s PRO 61 Ca 0.16 1.65 -0.06 0.00 0.02 0.00 0.00 61.00 62.77 3jum s PRO 61 Cb -0.11 -1.74 0.08 0.00 0.02 0.00 0.00 34.50 32.75 3jum s PRO 61 CO 0.06 -2.49 0.19 0.42 -0.33 0.00 0.00 177.00 174.85 3jum s ILE 62 N -2.44 3.71 -0.21 2.83 1.01 0.22 -5.00 121.20 121.31 3jum s ILE 62 Ca 0.69 -1.56 -0.10 0.00 0.00 0.00 0.00 60.65 59.68 3jum s ILE 62 Cb -0.25 -3.31 -0.05 0.00 0.01 0.00 0.00 42.46 38.86 3jum s ILE 62 CO 0.55 -0.46 0.13 0.00 0.00 0.00 0.00 174.94 175.16 3jum s ALA 63 N 1.31 3.63 -0.31 9.38 0.00 -1.26 -1.46 121.76 133.05 3jum s ALA 63 Ca 0.03 -0.76 -0.08 0.00 0.00 0.00 0.00 51.96 51.14 3jum s ALA 63 Cb -0.22 -2.19 0.01 0.00 0.00 0.00 0.00 23.12 20.71 3jum s ALA 63 CO -0.00 0.04 0.11 0.42 0.00 0.00 0.00 175.76 176.34 3jum s ILE 64 N 0.59 4.20 -0.25 0.00 1.01 0.11 -4.98 121.20 121.88 3jum s ILE 64 Ca 0.07 -0.64 -0.04 0.00 0.00 0.00 0.00 60.65 60.05 3jum s ILE 64 Cb -0.12 -3.18 0.01 0.00 0.01 0.00 0.00 42.46 39.18 3jum s ILE 64 CO 0.00 0.04 -0.02 -0.60 0.00 0.00 0.00 174.94 174.36 3jum s ARG 65 N 1.53 3.07 0.00 2.79 3.52 -1.26 -1.62 118.95 126.98 3jum s ARG 65 Ca 0.03 -0.84 0.00 0.00 -0.13 0.00 0.00 55.73 54.79 3jum s ARG 65 Cb -0.17 -3.08 0.00 0.00 -1.56 0.00 0.00 34.95 30.13 3jum s ARG 65 CO 0.04 -0.35 0.00 0.41 -0.81 0.00 0.00 175.30 174.59 3jum n GLY 66 N 4.76 2.91 0.16 8.12 0.00 0.13 -4.51 105.19 116.76 3jum n GLY 66 Ca -0.17 -1.60 -0.05 0.00 0.00 0.00 0.00 46.02 44.20 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 0.17 -0.84 1.61 2.43 -1.23 0.14 114.38 116.66 3jum h ARG 67 Ca 0.00 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 3jum h ARG 67 Cb 0.00 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.47 3jum h ARG 67 CO 0.00 0.12 0.40 0.93 -1.51 0.00 0.00 179.97 179.90 3jum h GLU 68 N 0.18 1.22 -0.41 0.20 4.39 -1.90 -1.90 114.58 116.35 3jum h GLU 68 Ca 0.18 -0.18 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 3jum h GLU 68 Cb 0.22 -0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 3jum h GLU 68 CO -0.25 0.94 0.09 0.87 -1.16 0.00 0.00 179.01 179.49 3jum h LYS 69 N 1.20 0.62 -0.53 2.33 1.79 -1.65 -1.55 116.57 118.78 3jum h LYS 69 Ca 0.29 -0.11 -0.07 0.00 -2.18 0.00 0.00 60.65 58.58 3jum h LYS 69 Cb 0.13 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 30.65 3jum h LYS 69 CO -0.04 0.58 0.06 -0.07 -1.08 0.00 0.00 179.45 178.90 3jum h LEU 70 N 0.60 0.81 -0.87 2.94 3.38 -0.30 -0.16 115.31 121.72 3jum h LEU 70 Ca 0.14 -0.18 -0.09 0.00 0.09 0.00 0.00 57.88 57.84 3jum h LEU 70 Cb 0.25 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3jum h LEU 70 CO -0.00 0.84 -0.08 1.23 0.09 0.00 0.00 178.44 180.52 3jum h GLY 71 N 0.99 0.82 1.11 0.83 0.00 -0.86 -1.83 103.07 104.12 3jum h GLY 71 Ca 0.16 -0.59 -0.12 0.00 0.00 0.00 0.00 47.33 46.79 3jum h GLY 71 CO 0.01 0.55 -0.11 0.83 0.00 0.00 0.00 176.54 177.82 3jum h GLU 72 N 0.69 1.04 -0.50 4.80 5.08 -1.04 -2.71 114.58 121.94 3jum h GLU 72 Ca 0.12 -0.38 0.05 0.00 -1.00 0.00 0.00 59.36 58.15 3jum h GLU 72 Cb 0.54 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 3jum h GLU 72 CO 0.03 1.08 0.33 1.25 -1.00 0.00 0.00 179.01 180.70 3jum h HIS 73 N 0.92 0.49 -0.08 4.33 2.76 -0.77 -2.65 115.15 120.15 3jum h HIS 73 Ca 0.14 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.31 3jum h HIS 73 Cb 0.68 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 29.47 3jum h HIS 73 CO 0.05 0.27 -0.01 0.00 -1.30 0.00 0.00 177.93 176.94 3jum h ALA 74 N 1.72 1.83 -0.45 5.26 0.00 -1.00 -0.83 119.26 125.79 3jum h ALA 74 Ca 0.21 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3jum h ALA 74 Cb 0.21 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3jum h ALA 74 CO -0.05 0.13 0.23 0.28 0.00 0.00 0.00 179.25 179.84 3jum h VAL 75 N 0.11 1.18 -0.34 0.00 2.07 -1.54 -0.17 116.25 117.57 3jum h VAL 75 Ca 0.03 -0.49 -0.04 0.00 0.82 0.00 0.00 66.70 67.02 3jum h VAL 75 Cb 0.11 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 3jum h VAL 75 CO 0.00 0.19 0.06 -0.25 0.02 0.00 0.00 177.57 177.60 3jum h TRP 76 N 0.59 0.59 -0.61 1.57 7.01 -1.35 -2.05 115.95 121.69 3jum h TRP 76 Ca 0.16 -0.08 -0.07 0.00 2.11 0.00 0.00 58.89 61.01 3jum h TRP 76 Cb 0.10 -0.16 -0.02 0.00 -2.10 0.00 0.00 29.16 26.97 3jum h TRP 76 CO -0.01 0.61 0.10 1.03 -2.79 0.00 0.00 178.44 177.38 3jum h SER 77 N 0.40 0.97 -0.07 2.65 0.87 -0.94 -1.04 113.55 116.38 3jum h SER 77 Ca 0.10 -0.26 -0.06 0.00 -1.23 0.00 0.00 61.79 60.35 3jum h SER 77 Cb 0.34 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 3jum h SER 77 CO 0.00 0.98 -0.10 0.25 -0.53 0.00 0.00 176.83 177.43 3jum h LEU 78 N 0.92 0.34 -0.30 2.23 5.85 -0.99 0.61 115.31 123.98 3jum h LEU 78 Ca 0.19 -0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 3jum h LEU 78 Cb 0.42 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 3jum h LEU 78 CO 0.01 0.49 0.06 -0.61 -0.34 0.00 0.00 178.44 178.04 3jum h GLN 79 N 0.34 0.48 0.00 1.25 4.15 -1.04 -3.11 115.11 117.18 3jum h GLN 79 Ca 0.07 -0.13 -0.04 0.00 0.77 0.00 0.00 58.65 59.32 3jum h GLN 79 Cb 0.40 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.03 3jum h GLN 79 CO 0.02 0.58 -0.84 0.00 -1.93 0.00 0.00 178.83 176.66 3jum n PHE 81 N -2.85 1.26 0.36 0.00 3.01 0.18 -0.45 117.46 118.96 3jum n PHE 81 Ca -0.01 -3.80 0.12 0.00 1.01 0.00 0.00 57.45 54.77 3jum n PHE 81 Cb 0.62 -0.43 0.53 0.00 -0.01 0.00 0.00 39.48 40.20 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 4.11 0.00 0.00 -1.08 0.13 -1.70 -3.19 132.00 130.27 3jum h PRO 82 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3jum h PRO 82 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 3jum h PRO 82 CO 0.61 0.00 -0.28 -0.40 -0.23 0.00 0.00 178.00 177.70 3jum n ASP 83 N -2.34 0.99 -4.77 1.44 5.75 -1.26 -4.87 116.55 111.49 3jum n ASP 83 Ca 0.01 -2.43 -0.41 0.00 -0.01 0.00 0.00 54.79 51.95 3jum n ASP 83 Cb 0.21 -0.29 -0.01 0.00 -1.03 0.00 0.00 41.12 40.01 3jum n ASP 83 CO 0.00 0.00 0.00 1.87 -0.11 0.00 0.00 177.20 178.96 3jum n TRP 84 N -0.60 2.97 -4.33 2.11 -0.00 -1.21 -4.82 117.44 111.56 3jum n TRP 84 Ca 0.07 0.36 -0.19 0.00 -0.00 0.00 0.00 57.50 57.74 3jum n TRP 84 Cb 0.67 -2.56 -0.15 0.00 -0.00 0.00 0.00 31.31 29.26 3jum n TRP 84 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 177.69 177.83 3jum s VAL 85 N -0.66 0.67 0.01 5.87 -7.23 -0.99 -4.69 120.40 113.38 3jum s VAL 85 Ca 0.57 -0.34 -0.20 0.00 -1.81 0.00 0.00 61.98 60.20 3jum s VAL 85 Cb -0.48 -0.58 -0.06 0.00 0.56 0.00 0.00 36.38 35.82 3jum s VAL 85 CO 0.58 0.20 0.59 0.26 -0.31 0.00 0.00 175.10 176.42 3jum s TRP 86 N -0.05 3.71 0.20 2.82 0.52 -1.26 -1.81 118.94 123.06 3jum s TRP 86 Ca 0.01 1.22 0.03 0.00 0.02 0.00 0.00 56.10 57.38 3jum s TRP 86 Cb -0.05 -2.59 -0.05 0.00 -1.15 0.00 0.00 33.47 29.63 3jum s TRP 86 CO -0.00 0.40 -0.02 0.95 0.02 0.00 0.00 176.95 178.30 3jum s THR 87 N -0.38 0.95 -1.40 2.01 -4.23 -0.14 -4.89 115.64 107.56 3jum s THR 87 Ca 0.31 -2.02 -0.00 0.00 -1.18 0.00 0.00 61.69 58.79 3jum s THR 87 Cb -0.19 -2.19 0.00 0.00 1.34 0.00 0.00 72.50 71.47 3jum s THR 87 CO 0.18 -0.45 0.41 -0.67 -0.54 0.00 0.00 174.62 173.55 3jum n ASP 88 N -0.32 -0.30 -4.68 3.99 2.03 -1.26 -0.90 116.55 115.11 3jum n ASP 88 Ca -0.06 -1.01 -0.43 0.00 0.52 0.00 0.00 54.79 53.81 3jum n ASP 88 Cb 0.63 -3.05 -0.02 0.00 -0.72 0.00 0.00 41.12 37.96 3jum n ASP 88 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3jum s ILE 89 N -3.96 4.30 -0.13 5.18 1.01 -1.26 -4.18 121.20 122.16 3jum s ILE 89 Ca 0.00 1.61 0.01 0.00 0.00 0.00 0.00 60.65 62.27 3jum s ILE 89 Cb -0.00 -4.03 0.02 0.00 0.01 0.00 0.00 42.46 38.45 3jum s ILE 89 CO 0.89 -0.05 -0.14 -1.58 0.00 0.00 0.00 174.94 174.06 3jum s GLN 90 N 2.60 2.23 -0.18 2.79 0.74 0.17 -5.01 119.66 123.00 3jum s GLN 90 Ca 0.55 -0.54 -0.14 0.00 0.05 0.00 0.00 55.36 55.28 3jum s GLN 90 Cb -0.23 -2.00 -0.04 0.00 1.10 0.00 0.00 33.01 31.83 3jum s GLN 90 CO 0.19 -0.18 0.30 0.42 -0.55 0.00 0.00 175.29 175.48 3jum s ILE 91 N 1.32 5.29 -0.27 -2.34 1.01 -1.26 -1.37 121.20 123.59 3jum s ILE 91 Ca 0.01 0.55 -0.04 0.00 0.00 0.00 0.00 60.65 61.17 3jum s ILE 91 Cb -0.14 -3.64 0.01 0.00 0.01 0.00 0.00 42.46 38.70 3jum s ILE 91 CO -0.07 0.35 0.01 -0.36 0.00 0.00 0.00 174.94 174.87 3jum s PHE 92 N 0.71 3.09 0.69 3.97 0.40 0.94 -5.01 117.98 122.77 3jum s PHE 92 Ca 0.16 -1.18 -0.12 0.00 -0.60 0.00 0.00 56.93 55.19 3jum s PHE 92 Cb -0.13 -2.16 0.01 0.00 0.51 0.00 0.00 43.02 41.25 3jum s PHE 92 CO 0.05 -0.63 1.08 -1.21 0.70 0.00 0.00 175.22 175.21 3jum s GLU 93 N 1.43 2.80 0.44 0.44 2.02 -1.26 -1.49 118.70 123.08 3jum s GLU 93 Ca 0.02 1.13 0.04 0.00 0.02 0.00 0.00 54.97 56.17 3jum s GLU 93 Cb -0.17 -1.97 -0.02 0.00 0.10 0.00 0.00 34.13 32.08 3jum s GLU 93 CO -0.01 -1.22 0.13 0.95 0.02 0.00 0.00 175.26 175.13 3jum s THR 94 N -2.79 0.59 0.52 3.63 -4.23 -1.21 -4.87 115.64 107.28 3jum s THR 94 Ca 0.61 -2.00 0.38 0.00 -1.18 0.00 0.00 61.69 59.50 3jum s THR 94 Cb -0.16 -2.25 0.40 0.00 1.34 0.00 0.00 72.50 71.82 3jum s THR 94 CO 0.50 0.00 2.25 0.06 -0.54 0.00 0.00 174.62 176.88 3jum h GLN 95 N 1.67 0.00 -5.18 3.99 -0.00 -1.99 -3.38 115.11 110.22 3jum h GLN 95 Ca -0.35 0.00 -0.65 0.00 -0.00 0.00 0.00 58.65 57.65 3jum h GLN 95 Cb 1.28 0.00 -0.15 0.00 -0.00 0.00 0.00 27.48 28.61 3jum h GLN 95 CO 0.57 0.02 -0.10 0.34 -0.00 0.00 0.00 178.83 179.66 3jum s ASP 96 N -5.57 6.29 0.41 0.06 -1.08 -1.26 -4.95 116.67 110.57 3jum s ASP 96 Ca -0.04 -0.05 0.28 0.00 -0.52 0.00 0.00 52.55 52.23 3jum s ASP 96 Cb 0.13 -2.25 1.46 0.00 -1.46 0.00 0.00 42.92 40.79 3jum s ASP 96 CO 0.48 -0.44 1.86 1.55 0.52 0.00 0.00 175.17 179.14 3jum h PRO 97 N 8.44 0.00 -0.66 4.34 0.13 -1.90 -1.36 132.00 141.00 3jum h PRO 97 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3jum h PRO 97 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 3jum h PRO 97 CO 0.75 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.61 3jum n ASN 98 N -2.50 4.98 -3.78 1.44 3.02 -1.26 -4.22 115.26 112.94 3jum n ASN 98 Ca -0.01 -2.51 -0.16 0.00 -0.03 0.00 0.00 54.58 51.86 3jum n ASN 98 Cb 0.09 -0.60 -0.16 0.00 -0.61 0.00 0.00 39.78 38.49 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 -1.97 0.13 0.15 3.10 -0.11 -0.51 -0.71 118.94 119.01 3jum s TRP 99 Ca 0.53 0.10 0.06 0.00 1.22 0.00 0.00 56.10 58.00 3jum s TRP 99 Cb 0.35 -0.32 -0.04 0.00 -1.50 0.00 0.00 33.47 31.96 3jum s TRP 99 CO 0.24 -0.11 -0.13 -0.06 -4.62 0.00 0.00 176.95 172.27 3jum s PHE 100 N 1.15 1.46 0.11 5.86 0.40 -0.07 -3.32 117.98 123.57 3jum s PHE 100 Ca -0.08 -0.61 0.08 0.00 -0.60 0.00 0.00 56.93 55.72 3jum s PHE 100 Cb -0.13 -0.73 -0.04 0.00 0.51 0.00 0.00 43.02 42.63 3jum s PHE 100 CO -0.03 0.19 -0.20 -1.58 0.70 0.00 0.00 175.22 174.30 3jum s TRP 101 N -2.64 1.79 -0.06 0.36 0.52 -0.56 -0.92 118.94 117.44 3jum s TRP 101 Ca 0.14 -0.43 0.03 0.00 0.02 0.00 0.00 56.10 55.86 3jum s TRP 101 Cb -0.02 -0.97 0.01 0.00 -1.15 0.00 0.00 33.47 31.34 3jum s TRP 101 CO 0.03 0.23 -0.13 0.08 0.02 0.00 0.00 176.95 177.18 3jum s VAL 102 N -1.31 1.17 -0.14 4.03 1.01 0.28 -0.04 120.40 125.39 3jum s VAL 102 Ca 0.08 -0.52 -0.03 0.00 0.00 0.00 0.00 61.98 61.51 3jum s VAL 102 Cb -0.09 -1.05 -0.03 0.00 0.00 0.00 0.00 36.38 35.21 3jum s VAL 102 CO 0.05 0.36 -0.03 -0.70 0.00 0.00 0.00 175.10 174.77 3jum s GLU 103 N 0.51 3.57 0.30 2.72 2.12 -0.47 -0.72 118.70 126.73 3jum s GLU 103 Ca -0.12 -0.51 -0.18 0.00 0.36 0.00 0.00 54.97 54.52 3jum s GLU 103 Cb -0.14 -2.89 0.02 0.00 0.26 0.00 0.00 34.13 31.38 3jum s GLU 103 CO 0.03 0.31 0.69 0.00 -0.54 0.00 0.00 175.26 175.75 3jum s ARG 105 N -3.60 2.44 -0.03 0.00 1.81 -0.08 -0.77 118.95 118.72 3jum s ARG 105 Ca 0.14 -1.64 -0.23 0.00 -1.72 0.00 0.00 55.73 52.28 3jum s ARG 105 Cb -0.05 -2.26 0.05 0.00 -0.45 0.00 0.00 34.95 32.23 3jum s ARG 105 CO 0.09 -0.20 0.49 0.20 -0.68 0.00 0.00 175.30 175.19 3jum s GLY 106 N -4.08 -0.36 0.04 -3.53 0.00 -0.86 -0.97 107.32 97.55 3jum s GLY 106 Ca 0.46 0.80 -0.26 0.00 0.00 0.00 0.00 44.72 45.71 3jum s GLY 106 CO 0.26 0.52 0.62 -1.83 0.00 0.00 0.00 173.10 172.66 3jum s GLU 107 N -1.31 1.12 0.00 2.90 -1.05 -0.75 -2.04 118.70 117.58 3jum s GLU 107 Ca -0.12 -0.08 0.00 0.00 -0.15 0.00 0.00 54.97 54.62 3jum s GLU 107 Cb -0.03 0.52 0.00 0.00 -0.44 0.00 0.00 34.13 34.18 3jum s GLU 107 CO 0.07 -0.41 0.00 0.41 0.95 0.00 0.00 175.26 176.28 3jum n GLY 108 N 0.40 0.24 3.75 -3.83 0.00 -0.55 -2.35 105.19 102.85 3jum n GLY 108 Ca -0.18 -1.10 -0.37 0.00 0.00 0.00 0.00 46.02 44.37 3jum n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jum s ALA 109 N -2.00 2.57 -0.11 4.61 0.00 -1.26 -0.53 121.76 125.03 3jum s ALA 109 Ca 0.00 1.12 0.03 0.00 0.00 0.00 0.00 51.96 53.11 3jum s ALA 109 Cb 0.00 -3.50 0.01 0.00 0.00 0.00 0.00 23.12 19.63 3jum s ALA 109 CO 0.00 -1.30 -0.20 -1.50 0.00 0.00 0.00 175.76 172.76 3jum s ILE 110 N -1.48 1.85 -0.47 0.00 2.07 0.19 -4.16 121.20 119.21 3jum s ILE 110 Ca 0.77 -0.87 0.04 0.00 -1.41 0.00 0.00 60.65 59.18 3jum s ILE 110 Cb -0.34 -1.64 0.17 0.00 0.13 0.00 0.00 42.46 40.78 3jum s ILE 110 CO 0.38 0.51 0.37 -0.69 -1.91 0.00 0.00 174.94 173.59 3jum s VAL 111 N 0.67 0.85 -0.21 4.00 1.01 0.40 -1.04 120.40 126.08 3jum s VAL 111 Ca -0.12 -2.94 -0.07 0.00 0.00 0.00 0.00 61.98 58.85 3jum s VAL 111 Cb -0.16 -1.59 -0.03 0.00 0.00 0.00 0.00 36.38 34.60 3jum s VAL 111 CO 0.02 -1.18 0.05 -0.36 0.00 0.00 0.00 175.10 173.64 3jum s PHE 112 N -0.21 3.13 0.29 5.22 2.99 -1.26 -4.36 117.98 123.77 3jum s PHE 112 Ca 0.31 -0.24 -0.30 0.00 0.00 0.00 0.00 56.93 56.69 3jum s PHE 112 Cb 0.01 -2.14 -0.12 0.00 0.00 0.00 0.00 43.02 40.77 3jum s PHE 112 CO -0.18 -0.14 1.55 -2.30 -0.00 0.00 0.00 175.22 174.14 3jum n PRO 113 N 4.27 2.55 -0.00 0.24 -0.02 -1.26 -2.04 135.00 138.73 3jum n PRO 113 Ca -0.16 0.91 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 3jum n PRO 113 Cb 0.52 -2.66 0.00 0.00 -0.02 0.00 0.00 33.50 31.34 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 2.07 0.10 3.41 -1.23 0.00 -1.26 -5.05 105.19 103.24 3jum n GLY 114 Ca 0.09 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.02 2.08 0.62 1.61 1.51 -0.87 -5.13 117.35 115.14 3jum s TYR 115 Ca 0.00 -0.42 -0.17 0.00 -1.01 0.00 0.00 57.07 55.47 3jum s TYR 115 Cb 0.00 -0.94 -0.02 0.00 -0.11 0.00 0.00 41.96 40.89 3jum s TYR 115 CO 0.00 0.55 1.16 -2.14 -1.11 0.00 0.00 175.55 174.01 3jum s PRO 116 N -3.37 2.91 0.34 -1.71 0.02 -1.26 -4.66 135.00 127.27 3jum s PRO 116 Ca 0.25 1.64 -0.29 0.00 0.02 0.00 0.00 61.00 62.62 3jum s PRO 116 Cb -0.04 -1.94 -0.11 0.00 0.02 0.00 0.00 34.50 32.42 3jum s PRO 116 CO 0.11 -1.21 1.54 0.50 -0.33 0.00 0.00 177.00 177.62 3jum s ARG 117 N -3.61 4.10 0.35 5.54 3.52 -1.26 -4.78 118.95 122.80 3jum s ARG 117 Ca 0.73 2.59 0.02 0.00 -0.13 0.00 0.00 55.73 58.94 3jum s ARG 117 Cb -0.26 -2.99 -0.01 0.00 -1.56 0.00 0.00 34.95 30.14 3jum s ARG 117 CO 0.35 -0.59 0.41 0.20 -0.81 0.00 0.00 175.30 174.86 3jum s GLY 118 N 0.15 1.87 -0.13 8.12 0.00 -0.21 -5.01 107.32 112.11 3jum s GLY 118 Ca 0.58 -1.76 0.01 0.00 0.00 0.00 0.00 44.72 43.54 3jum s GLY 118 CO 0.57 -1.18 -0.16 1.20 0.00 0.00 0.00 173.10 173.53 3jum s GLN 119 N -3.10 3.27 -0.09 2.90 -1.52 -1.26 -0.64 119.66 119.23 3jum s GLN 119 Ca 0.34 -0.74 0.03 0.00 -1.95 0.00 0.00 55.36 53.05 3jum s GLN 119 Cb 0.00 -2.58 -0.01 0.00 -0.22 0.00 0.00 33.01 30.21 3jum s GLN 119 CO 0.24 0.14 -0.19 -0.47 -0.25 0.00 0.00 175.29 174.76 3jum s TYR 120 N 0.51 2.62 -0.01 0.91 5.04 0.31 -4.60 117.35 122.13 3jum s TYR 120 Ca -0.10 -0.66 0.01 0.00 -2.44 0.00 0.00 57.07 53.88 3jum s TYR 120 Cb -0.16 -1.70 -0.00 0.00 0.35 0.00 0.00 41.96 40.45 3jum s TYR 120 CO 0.04 -0.18 -0.05 1.03 -1.34 0.00 0.00 175.55 175.06 3jum s ARG 121 N -0.02 0.41 0.30 4.97 0.52 -1.26 -1.48 118.95 122.39 3jum s ARG 121 Ca -0.06 -0.15 -0.09 0.00 -0.52 0.00 0.00 55.73 54.91 3jum s ARG 121 Cb -0.15 -0.41 0.01 0.00 0.52 0.00 0.00 34.95 34.92 3jum s ARG 121 CO 0.05 0.08 0.52 1.21 0.02 0.00 0.00 175.30 177.17 3jum s ASN 122 N 0.02 0.31 -0.10 0.23 3.04 -0.86 -4.78 114.94 112.79 3jum s ASN 122 Ca 0.00 -1.17 -0.01 0.00 0.04 0.00 0.00 52.86 51.72 3jum s ASN 122 Cb -0.03 0.65 -0.03 0.00 -1.54 0.00 0.00 41.25 40.30 3jum s ASN 122 CO -0.00 -1.28 -0.05 -2.28 -3.04 0.00 0.00 177.10 170.46 3jum s HIS 123 N -3.41 3.01 0.04 0.43 5.65 -1.26 -2.03 115.29 117.71 3jum s HIS 123 Ca 0.25 -0.04 0.03 0.00 0.25 0.00 0.00 55.06 55.55 3jum s HIS 123 Cb -0.01 -1.80 -0.02 0.00 -1.18 0.00 0.00 32.58 29.57 3jum s HIS 123 CO 0.14 0.26 -0.10 -0.06 -0.65 0.00 0.00 174.74 174.32 3jum s PHE 124 N -0.49 0.90 -0.07 3.88 0.40 0.05 -4.22 117.98 118.42 3jum s PHE 124 Ca 0.08 -0.38 0.06 0.00 -0.60 0.00 0.00 56.93 56.09 3jum s PHE 124 Cb -0.12 -0.54 -0.01 0.00 0.51 0.00 0.00 43.02 42.87 3jum s PHE 124 CO 0.02 -0.01 -0.24 -0.51 0.70 0.00 0.00 175.22 175.18 3jum s LEU 125 N -1.20 2.06 0.01 -0.37 1.43 0.08 -1.35 118.68 119.34 3jum s LEU 125 Ca -0.03 -0.51 0.08 0.00 -1.03 0.00 0.00 54.13 52.64 3jum s LEU 125 Cb -0.08 -1.36 -0.02 0.00 0.03 0.00 0.00 46.19 44.76 3jum s LEU 125 CO 0.01 0.22 -0.25 -1.00 0.23 0.00 0.00 176.35 175.56 3jum s HIS 126 N -0.03 2.22 -0.12 0.29 3.76 0.10 -0.34 115.29 121.16 3jum s HIS 126 Ca -0.07 -0.41 -0.03 0.00 -0.15 0.00 0.00 55.06 54.39 3jum s HIS 126 Cb -0.15 -1.39 -0.03 0.00 1.11 0.00 0.00 32.58 32.12 3jum s HIS 126 CO 0.05 0.02 -0.01 0.45 -0.85 0.00 0.00 174.74 174.40 3jum s SER 127 N -0.84 5.09 -0.13 1.40 0.15 -0.13 -0.56 113.70 118.69 3jum s SER 127 Ca 0.10 0.03 -0.01 0.00 0.70 0.00 0.00 55.95 56.77 3jum s SER 127 Cb -0.10 -1.62 0.03 0.00 -1.71 0.00 0.00 66.02 62.62 3jum s SER 127 CO 0.00 0.28 -0.06 -0.36 1.20 0.00 0.00 173.24 174.30 3jum s PHE 128 N -0.27 1.49 -0.07 3.44 0.08 -0.10 -1.30 117.98 121.25 3jum s PHE 128 Ca 0.06 -0.84 0.02 0.00 0.12 0.00 0.00 56.93 56.29 3jum s PHE 128 Cb -0.12 -1.23 -0.03 0.00 -0.57 0.00 0.00 43.02 41.07 3jum s PHE 128 CO 0.02 -0.55 -0.11 1.03 -0.10 0.00 0.00 175.22 175.51 3jum s ARG 129 N 1.70 2.73 0.17 0.44 0.52 0.03 -0.90 118.95 123.65 3jum s ARG 129 Ca 0.03 -0.64 0.08 0.00 -0.52 0.00 0.00 55.73 54.69 3jum s ARG 129 Cb -0.14 -2.50 -0.04 0.00 0.52 0.00 0.00 34.95 32.80 3jum s ARG 129 CO -0.08 0.58 -0.08 -0.06 0.02 0.00 0.00 175.30 175.68 3jum s PHE 130 N -0.59 2.68 -0.14 -0.53 0.08 0.11 -0.30 117.98 119.30 3jum s PHE 130 Ca 0.09 -0.20 -0.06 0.00 0.12 0.00 0.00 56.93 56.88 3jum s PHE 130 Cb -0.11 -1.31 0.06 0.00 -0.57 0.00 0.00 43.02 41.08 3jum s PHE 130 CO 0.01 0.51 0.30 -2.00 -0.10 0.00 0.00 175.22 173.94 3jum s GLU 131 N -2.81 0.23 -1.46 0.44 2.12 0.30 -4.74 118.70 112.77 3jum s GLU 131 Ca 0.25 0.71 -0.08 0.00 0.36 0.00 0.00 54.97 56.21 3jum s GLU 131 Cb -0.09 -0.02 0.02 0.00 0.26 0.00 0.00 34.13 34.30 3jum s GLU 131 CO 0.16 -0.22 0.88 0.09 -0.54 0.00 0.00 175.26 175.63 3jum n ASN 132 N 4.77 -5.90 -0.51 -1.70 3.02 -1.26 -2.10 115.26 111.58 3jum n ASN 132 Ca -0.16 -0.46 -0.07 0.00 -0.03 0.00 0.00 54.58 53.86 3jum n ASN 132 Cb 0.52 -4.71 -0.03 0.00 -0.61 0.00 0.00 39.78 34.95 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 -1.72 0.77 3.33 7.41 0.00 -1.26 -5.00 105.19 108.72 3jum n GLY 133 Ca -0.04 -0.16 -0.18 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.52 2.54 -0.18 0.99 1.43 -0.89 -4.91 118.68 116.15 3jum s LEU 134 Ca 0.00 -1.00 -0.29 0.00 -1.03 0.00 0.00 54.13 51.80 3jum s LEU 134 Cb 0.00 -0.65 -0.01 0.00 0.03 0.00 0.00 46.19 45.56 3jum s LEU 134 CO 0.00 -0.17 1.17 -0.63 0.23 0.00 0.00 176.35 176.95 3jum s ILE 135 N -2.92 4.44 -0.01 -0.59 1.01 0.35 -0.54 121.20 122.94 3jum s ILE 135 Ca 0.21 1.74 0.03 0.00 0.00 0.00 0.00 60.65 62.63 3jum s ILE 135 Cb -0.01 -4.12 -0.25 0.00 0.01 0.00 0.00 42.46 38.09 3jum s ILE 135 CO 0.06 -0.14 0.80 0.50 0.00 0.00 0.00 174.94 176.17 3jum h LYS 136 N 7.84 0.14 -2.37 2.79 1.63 -0.95 -0.29 116.57 125.36 3jum h LYS 136 Ca -0.25 -0.24 -0.05 0.00 -0.85 0.00 0.00 60.65 59.26 3jum h LYS 136 Cb 1.09 0.09 -0.25 0.00 -0.60 0.00 0.00 32.23 32.56 3jum h LYS 136 CO 0.96 0.93 -0.28 -2.00 -3.45 0.00 0.00 179.45 175.61 3jum s GLU 137 N -2.62 0.42 -0.07 1.90 2.12 -0.86 -1.31 118.70 118.27 3jum s GLU 137 Ca -0.08 1.13 0.04 0.00 0.36 0.00 0.00 54.97 56.41 3jum s GLU 137 Cb 0.08 0.42 -0.02 0.00 0.26 0.00 0.00 34.13 34.87 3jum s GLU 137 CO 0.83 -0.22 -0.17 -1.14 -0.54 0.00 0.00 175.26 174.01 3jum s GLN 138 N 2.50 2.70 -0.02 4.30 -0.44 0.12 -0.79 119.66 128.03 3jum s GLN 138 Ca -0.04 -0.76 0.01 0.00 -2.50 0.00 0.00 55.36 52.06 3jum s GLN 138 Cb -0.11 -2.36 0.02 0.00 -1.64 0.00 0.00 33.01 28.91 3jum s GLN 138 CO -0.15 0.46 -0.01 1.03 0.50 0.00 0.00 175.29 177.13 3jum s ARG 139 N -0.33 0.25 -0.16 1.67 0.52 -0.42 -2.85 118.95 117.63 3jum s ARG 139 Ca 0.02 0.03 -0.06 0.00 -0.52 0.00 0.00 55.73 55.20 3jum s ARG 139 Cb -0.13 -0.38 -0.04 0.00 0.52 0.00 0.00 34.95 34.93 3jum s ARG 139 CO 0.02 -0.08 0.05 -2.00 0.02 0.00 0.00 175.30 173.32 3jum s GLU 140 N 0.67 3.77 -0.10 3.54 2.12 -0.55 -0.95 118.70 127.21 3jum s GLU 140 Ca -0.07 -0.35 0.02 0.00 0.36 0.00 0.00 54.97 54.94 3jum s GLU 140 Cb -0.10 -3.13 0.01 0.00 0.26 0.00 0.00 34.13 31.18 3jum s GLU 140 CO -0.01 0.37 -0.17 -0.06 -0.54 0.00 0.00 175.26 174.85 3jum s PHE 141 N 0.07 2.03 0.36 5.30 0.40 0.54 -0.08 117.98 126.59 3jum s PHE 141 Ca 0.05 -0.90 0.00 0.00 -0.60 0.00 0.00 56.93 55.48 3jum s PHE 141 Cb -0.12 -1.43 0.00 0.00 0.51 0.00 0.00 43.02 41.98 3jum s PHE 141 CO 0.01 -0.44 0.46 0.00 0.70 0.00 0.00 175.22 175.96 3jum n MET 142 N 3.99 0.67 -3.10 0.44 0.00 -1.26 -0.74 117.12 117.12 3jum n MET 142 Ca -0.20 -3.00 -0.45 0.00 0.00 0.00 0.00 57.70 54.05 3jum n MET 142 Cb 0.52 2.80 -0.05 0.00 0.00 0.00 0.00 33.22 36.49 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 -3.28 6.18 0.64 3.17 3.84 -1.26 -4.82 114.94 119.42 3jum s ASN 143 Ca 0.32 -1.37 0.28 0.00 0.21 0.00 0.00 52.86 52.30 3jum s ASN 143 Cb -0.00 -2.31 1.51 0.00 -0.55 0.00 0.00 41.25 39.90 3jum s ASN 143 CO 0.23 -1.12 1.87 -0.65 -2.79 0.00 0.00 177.10 174.65 3jum h PRO 144 N 9.19 0.00 -0.24 0.43 0.11 -1.95 -2.08 132.00 137.46 3jum h PRO 144 Ca -0.29 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.77 3jum h PRO 144 Cb 1.09 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 3jum h PRO 144 CO 1.10 0.00 -0.07 0.00 -0.21 0.00 0.00 178.00 178.81 3jum h GLU 146 N 0.36 0.18 -0.33 0.00 4.39 -1.72 -1.33 114.58 116.13 3jum h GLU 146 Ca 0.08 -0.10 -0.16 0.00 0.34 0.00 0.00 59.36 59.52 3jum h GLU 146 Cb 0.36 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.02 3jum h GLU 146 CO 0.02 0.65 -0.40 0.37 -1.16 0.00 0.00 179.01 178.48 3jum h GLN 147 N 0.14 0.86 -0.39 2.33 4.15 -1.39 -2.52 115.11 118.29 3jum h GLN 147 Ca 0.00 -0.48 0.05 0.00 0.77 0.00 0.00 58.65 58.99 3jum h GLN 147 Cb 0.96 0.03 -0.05 0.00 0.21 0.00 0.00 27.48 28.63 3jum h GLN 147 CO 0.08 1.12 0.12 0.74 -1.93 0.00 0.00 178.83 178.96 3jum h PHE 148 N 0.65 0.21 -0.62 3.99 0.04 -0.85 -2.16 116.94 118.20 3jum h PHE 148 Ca 0.04 0.02 0.10 0.00 2.80 0.00 0.00 57.97 60.94 3jum h PHE 148 Cb 1.00 -0.04 -0.08 0.00 2.20 0.00 0.00 35.95 39.04 3jum h PHE 148 CO 0.07 0.07 0.22 0.00 -0.60 0.00 0.00 178.31 178.07 3jum h ARG 149 N 0.27 0.37 0.00 1.51 3.08 -1.14 -1.07 114.38 117.40 3jum h ARG 149 Ca 0.18 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.17 3jum h ARG 149 Cb 0.18 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 3jum h ARG 149 CO -0.20 0.25 -0.21 0.66 -1.07 0.00 0.00 179.97 179.40 3jum h SER 150 N 0.38 0.00 -0.17 7.04 4.64 -0.96 -2.06 113.55 122.43 3jum h SER 150 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 3jum h SER 150 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 3jum h SER 150 CO -0.33 0.21 0.00 0.18 -0.87 0.00 0.00 176.83 176.02 3jum n LEU 151 N -3.82 2.47 -0.48 5.97 4.77 -0.72 -4.25 117.00 120.94 3jum n LEU 151 Ca -0.02 -0.96 -0.06 0.00 -0.03 0.00 0.00 56.01 54.94 3jum n LEU 151 Cb 0.31 -0.10 -0.03 0.00 -2.33 0.00 0.00 43.42 41.27 3jum n LEU 151 CO 0.34 0.48 -0.06 0.61 -1.33 0.00 0.00 177.39 177.43 3jum n GLY 152 N 1.30 0.85 3.75 -0.72 0.00 -0.77 -4.49 105.19 105.11 3jum n GLY 152 Ca 0.17 -0.65 -0.38 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.19 5.09 0.23 -0.61 1.01 -0.49 -5.01 121.20 119.23 3jum s ILE 153 Ca 0.00 1.01 -0.30 0.00 0.00 0.00 0.00 60.65 61.36 3jum s ILE 153 Cb 0.00 -3.83 -0.10 0.00 0.01 0.00 0.00 42.46 38.55 3jum s ILE 153 CO 0.00 0.40 1.42 -1.61 0.00 0.00 0.00 174.94 175.14 3jum s GLU 154 N 0.11 4.29 -0.15 2.79 2.02 -1.26 -4.10 118.70 122.40 3jum s GLU 154 Ca 0.27 2.25 -0.20 0.00 0.02 0.00 0.00 54.97 57.31 3jum s GLU 154 Cb -0.16 -3.13 -0.03 0.00 0.10 0.00 0.00 34.13 30.90 3jum s GLU 154 CO 0.13 -0.39 0.57 0.08 0.02 0.00 0.00 175.26 175.67 3jum s VAL 155 N 0.09 5.09 0.49 2.63 1.01 -1.26 -5.00 120.40 123.45 3jum s VAL 155 Ca 0.59 1.12 -0.23 0.00 0.00 0.00 0.00 61.98 63.46 3jum s VAL 155 Cb -0.41 -3.90 -0.08 0.00 0.00 0.00 0.00 36.38 31.99 3jum s VAL 155 CO 0.41 0.22 1.22 -2.65 0.00 0.00 0.00 175.10 174.30 3jum n PRO 156 N 4.33 1.63 -4.86 2.72 -0.02 -1.26 -5.01 135.00 132.53 3jum n PRO 156 Ca -0.04 0.59 -0.33 0.00 -2.02 0.00 0.00 63.50 61.71 3jum n PRO 156 Cb 0.51 -2.37 -0.14 0.00 -0.02 0.00 0.00 33.50 31.48 3jum n PRO 156 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3jum s GLU 157 N -2.47 2.93 -0.24 -0.52 2.12 -1.26 -5.10 118.70 114.16 3jum s GLU 157 Ca 0.67 -0.70 -0.10 0.00 0.36 0.00 0.00 54.97 55.19 3jum s GLU 157 Cb -0.47 -2.49 -0.05 0.00 0.26 0.00 0.00 34.13 31.39 3jum s GLU 157 CO 0.54 0.41 0.14 0.08 -0.54 0.00 0.00 175.26 175.88 3jum s VAL 158 N -0.17 5.13 -0.01 3.70 1.01 -1.26 -5.09 120.40 123.70 3jum s VAL 158 Ca -0.00 0.10 -0.21 0.00 0.00 0.00 0.00 61.98 61.87 3jum s VAL 158 Cb -0.13 -3.39 -0.05 0.00 0.00 0.00 0.00 36.38 32.80 3jum s VAL 158 CO 0.03 0.35 0.61 -0.13 0.00 0.00 0.00 175.10 175.96 3jum s ARG 159 N 1.14 4.34 -0.79 2.72 0.52 -1.26 -4.99 118.95 120.62 3jum s ARG 159 Ca 0.07 0.76 0.02 0.00 -0.52 0.00 0.00 55.73 56.06 3jum s ARG 159 Cb -0.14 -3.36 0.24 0.00 0.52 0.00 0.00 34.95 32.21 3jum s ARG 159 CO 0.05 0.33 0.85 0.54 0.02 0.00 0.00 175.30 177.08 3jum n ARG 160 N 2.86 2.79 -2.02 3.54 1.74 -1.26 -5.06 116.66 119.25 3jum n ARG 160 Ca -0.06 -4.58 -0.42 0.00 -0.77 0.00 0.00 57.85 52.02 3jum n ARG 160 Cb 0.51 -2.35 -0.03 0.00 -1.02 0.00 0.00 32.46 29.57 3jum n ARG 160 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3jum s ASP 161 N -1.62 6.67 0.00 0.55 1.11 -1.26 -1.90 116.67 120.22 3jum s ASP 161 Ca 0.33 2.54 0.00 0.00 0.18 0.00 0.00 52.55 55.60 3jum s ASP 161 Cb 0.05 -2.60 0.00 0.00 1.07 0.00 0.00 42.92 41.44 3jum s ASP 161 CO -0.05 -0.75 0.00 0.61 1.18 0.00 0.00 175.17 176.16 3jum n GLY 162 N 3.38 1.13 3.67 0.21 0.00 -1.26 -4.98 105.19 107.33 3jum n GLY 162 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 3jum n GLY 162 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3jum n LEU 163 N 0.00 4.12 -4.72 0.99 7.94 -0.80 -4.90 117.00 119.62 3jum n LEU 163 Ca 0.00 0.93 -0.31 0.00 -1.11 0.00 0.00 56.01 55.52 3jum n LEU 163 Cb 0.00 -1.53 0.13 0.00 0.53 0.00 0.00 43.42 42.55 3jum n LEU 163 CO 0.00 0.19 0.69 -2.84 -1.11 0.00 0.00 177.39 174.32 3jum s PRO 164 N 3.98 1.68 0.00 1.96 0.02 -1.26 -5.13 135.00 136.25 3jum s PRO 164 Ca 0.87 1.37 0.03 0.00 0.02 0.00 0.00 61.00 63.29 3jum s PRO 164 Cb -0.46 -1.82 0.02 0.00 0.02 0.00 0.00 34.50 32.27 3jum s PRO 164 CO 0.41 -2.11 0.58 0.43 -0.33 0.00 0.00 177.00 175.98