#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jmo s HIS 2 N 0.00 3.59 0.23 1.61 3.76 -1.26 -4.96 115.29 118.26 2jmo s HIS 2 Ca 0.00 1.40 -0.18 0.00 -0.15 0.00 0.00 55.06 56.13 2jmo s HIS 2 Cb 0.00 -2.93 0.24 0.00 1.11 0.00 0.00 32.58 30.99 2jmo s HIS 2 CO 0.00 0.02 1.55 1.98 -0.85 0.00 0.00 174.74 177.45 2jmo h MET 3 N 6.83 -0.01 -5.18 1.40 4.05 -2.13 -3.40 114.93 116.49 2jmo h MET 3 Ca -0.40 0.00 -0.75 0.00 -0.28 0.00 0.00 59.70 58.27 2jmo h MET 3 Cb 1.20 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 32.01 2jmo h MET 3 CO 0.76 -0.00 0.62 0.41 0.23 0.00 0.00 176.91 178.93 2jmo n GLY 4 N -1.47 0.15 3.32 1.39 0.00 -1.26 -4.93 105.19 102.40 2jmo n GLY 4 Ca 0.10 0.88 -0.17 0.00 0.00 0.00 0.00 46.02 46.83 2jmo n GLY 4 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jmo s GLU 5 N 2.72 1.35 0.53 1.61 2.12 -1.26 -5.02 118.70 120.74 2jmo s GLU 5 Ca 0.91 -1.70 -0.21 0.00 0.36 0.00 0.00 54.97 54.34 2jmo s GLU 5 Cb -1.29 -0.50 -0.06 0.00 0.26 0.00 0.00 34.13 32.54 2jmo s GLU 5 CO 0.70 -0.16 1.20 -1.21 -0.54 0.00 0.00 175.26 175.25 2jmo s GLU 6 N -3.91 3.35 0.03 4.30 2.02 -1.26 -4.96 118.70 118.26 2jmo s GLU 6 Ca 0.31 1.82 -0.21 0.00 0.02 0.00 0.00 54.97 56.91 2jmo s GLU 6 Cb 0.07 -2.15 -0.16 0.00 0.10 0.00 0.00 34.13 31.99 2jmo s GLU 6 CO 0.10 -0.90 1.31 1.96 0.02 0.00 0.00 175.26 177.74 2jmo h GLN 7 N 1.43 0.35 -6.88 1.61 4.20 -2.03 -3.45 115.11 110.33 2jmo h GLN 7 Ca -0.50 -0.20 -0.47 0.00 0.06 0.00 0.00 58.65 57.54 2jmo h GLN 7 Cb 1.27 0.02 0.22 0.00 0.30 0.00 0.00 27.48 29.29 2jmo h GLN 7 CO 0.58 0.77 -0.57 0.66 -0.67 0.00 0.00 178.83 179.60 2jmo n TYR 8 N -4.53 -1.22 -4.05 2.96 4.02 -1.26 -5.00 117.16 108.07 2jmo n TYR 8 Ca -0.07 0.07 -0.34 0.00 -0.01 0.00 0.00 57.90 57.56 2jmo n TYR 8 Cb 0.39 -1.67 -0.15 0.00 -0.02 0.00 0.00 39.34 37.89 2jmo n TYR 8 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 2jmo s ASN 9 N -2.10 3.50 0.94 7.72 2.20 -1.26 -5.12 114.94 120.82 2jmo s ASN 9 Ca 0.61 -0.57 -0.11 0.00 -0.94 0.00 0.00 52.86 51.84 2jmo s ASN 9 Cb -0.18 -1.56 0.16 0.00 -2.00 0.00 0.00 41.25 37.66 2jmo s ASN 9 CO 0.65 -0.01 1.09 -0.60 -2.94 0.00 0.00 177.10 175.30 2jmo s ARG 10 N 1.35 0.86 -0.06 3.55 3.52 -1.26 -5.07 118.95 121.85 2jmo s ARG 10 Ca 0.05 0.93 -0.04 0.00 -0.13 0.00 0.00 55.73 56.55 2jmo s ARG 10 Cb -0.13 -1.75 0.02 0.00 -1.56 0.00 0.00 34.95 31.52 2jmo s ARG 10 CO -0.10 -2.54 0.14 0.71 -0.81 0.00 0.00 175.30 172.70 2jmo s TYR 11 N -2.81 -0.16 0.27 5.12 2.02 -1.26 -5.04 117.35 115.49 2jmo s TYR 11 Ca 0.65 0.42 0.00 0.00 -0.37 0.00 0.00 57.07 57.76 2jmo s TYR 11 Cb -0.20 0.00 0.61 0.00 -0.40 0.00 0.00 41.96 41.97 2jmo s TYR 11 CO 0.58 -0.11 1.70 1.96 -1.57 0.00 0.00 175.55 178.11 2jmo h GLN 12 N 6.45 0.38 -5.14 -0.62 7.50 -2.04 -3.45 115.11 118.19 2jmo h GLN 12 Ca -0.32 -0.02 -0.41 0.00 0.50 0.00 0.00 58.65 58.40 2jmo h GLN 12 Cb 1.18 -0.08 0.02 0.00 0.05 0.00 0.00 27.48 28.65 2jmo h GLN 12 CO 0.42 0.25 -0.62 1.04 -1.50 0.00 0.00 178.83 178.42 2jmo n GLN 13 N -5.06 -5.01 0.22 1.46 1.13 -1.26 -4.89 117.38 103.97 2jmo n GLN 13 Ca 0.19 0.75 -0.17 0.00 -1.94 0.00 0.00 57.00 55.83 2jmo n GLN 13 Cb 0.56 -5.61 -0.09 0.00 0.11 0.00 0.00 30.24 25.21 2jmo n GLN 13 CO 0.00 0.00 0.00 -0.92 -1.44 0.00 0.00 177.06 174.70 2jmo h TYR 14 N -1.55 -1.38 0.00 1.08 3.20 -2.06 -3.47 116.97 112.79 2jmo h TYR 14 Ca -0.52 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.37 2jmo h TYR 14 Cb 1.35 0.56 0.00 0.00 1.54 0.00 0.00 36.73 40.18 2jmo h TYR 14 CO 0.57 -0.63 0.00 0.41 -1.64 0.00 0.00 178.16 176.87 2jmo n GLY 15 N -1.53 2.89 3.70 1.82 0.00 -1.26 -5.19 105.19 105.62 2jmo n GLY 15 Ca -0.10 -0.30 -0.11 0.00 0.00 0.00 0.00 46.02 45.51 2jmo n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jmo s ALA 16 N -1.81 -0.26 0.75 4.61 0.00 -1.26 -5.17 121.76 118.62 2jmo s ALA 16 Ca 0.00 -0.98 -0.12 0.00 0.00 0.00 0.00 51.96 50.87 2jmo s ALA 16 Cb 0.00 0.87 0.04 0.00 0.00 0.00 0.00 23.12 24.03 2jmo s ALA 16 CO 0.00 -0.92 1.11 -2.00 0.00 0.00 0.00 175.76 173.95 2jmo s GLU 17 N -2.77 2.51 -0.18 0.00 -6.30 -1.26 -5.05 118.70 105.64 2jmo s GLU 17 Ca 0.20 0.47 -0.08 0.00 -2.50 0.00 0.00 54.97 53.06 2jmo s GLU 17 Cb -0.03 -1.98 -0.04 0.00 0.00 0.00 0.00 34.13 32.07 2jmo s GLU 17 CO 0.14 -1.29 0.10 -1.21 0.02 0.00 0.00 175.26 173.03 2jmo s GLU 18 N -5.32 3.97 -0.24 4.30 0.41 -1.26 -5.08 118.70 115.48 2jmo s GLU 18 Ca 0.59 -0.25 -0.03 0.00 -0.41 0.00 0.00 54.97 54.87 2jmo s GLU 18 Cb -0.12 -3.30 0.01 0.00 -1.78 0.00 0.00 34.13 28.94 2jmo s GLU 18 CO 0.52 0.38 -0.04 0.00 -0.49 0.00 0.00 175.26 175.63 2jmo n VAL 20 N 4.75 -0.48 -0.12 0.00 0.24 -1.26 -4.78 118.33 116.69 2jmo n VAL 20 Ca -0.17 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 61.97 2jmo n VAL 20 Cb 0.49 -1.15 -0.12 0.00 -1.47 0.00 0.00 33.84 31.59 2jmo n VAL 20 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2jmo n LEU 21 N -3.04 2.29 -4.71 1.34 4.77 -1.26 -4.95 117.00 111.44 2jmo n LEU 21 Ca -0.05 -0.10 -0.42 0.00 -0.03 0.00 0.00 56.01 55.41 2jmo n LEU 21 Cb 0.55 -0.55 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 2jmo n LEU 21 CO 0.26 0.81 1.41 -1.10 -1.33 0.00 0.00 177.39 177.44 2jmo s GLN 22 N -2.48 4.12 0.29 3.23 1.11 -1.26 -4.88 119.66 119.79 2jmo s GLN 22 Ca -0.28 2.62 -0.01 0.00 0.01 0.00 0.00 55.36 57.70 2jmo s GLN 22 Cb 0.08 -3.25 0.48 0.00 -1.01 0.00 0.00 33.01 29.31 2jmo s GLN 22 CO 0.62 -0.79 1.92 0.00 0.01 0.00 0.00 175.29 177.05 2jmo h MET 23 N 7.41 1.06 -0.67 2.91 -0.00 -1.86 -2.84 114.93 120.93 2jmo h MET 23 Ca -0.44 -0.06 0.18 0.00 -0.00 0.00 0.00 59.70 59.38 2jmo h MET 23 Cb 1.21 -0.24 -0.13 0.00 -0.00 0.00 0.00 31.60 32.44 2jmo h MET 23 CO 0.96 0.70 0.00 0.41 -0.00 0.00 0.00 176.91 178.98 2jmo n GLY 24 N -1.39 -0.93 3.26 -3.00 0.00 -1.26 -1.85 105.19 100.02 2jmo n GLY 24 Ca 0.13 0.67 -0.44 0.00 0.00 0.00 0.00 46.02 46.38 2jmo n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jmo n GLY 25 N -1.35 4.17 3.86 -0.02 0.00 -1.07 -4.62 105.19 106.16 2jmo n GLY 25 Ca 0.15 -2.34 -0.35 0.00 0.00 0.00 0.00 46.02 43.48 2jmo n GLY 25 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jmo s VAL 26 N -0.36 5.08 0.04 1.61 1.01 -0.77 -4.96 120.40 122.06 2jmo s VAL 26 Ca 0.36 0.54 -0.13 0.00 0.00 0.00 0.00 61.98 62.76 2jmo s VAL 26 Cb -0.03 -3.66 0.02 0.00 0.00 0.00 0.00 36.38 32.71 2jmo s VAL 26 CO -0.01 0.36 0.28 -1.48 0.00 0.00 0.00 175.10 174.24 2jmo s LEU 27 N -1.71 1.00 0.20 3.92 0.05 -1.26 -4.34 118.68 116.54 2jmo s LEU 27 Ca 0.31 -0.23 -0.30 0.00 0.05 0.00 0.00 54.13 53.95 2jmo s LEU 27 Cb -0.14 1.25 -0.09 0.00 -2.05 0.00 0.00 46.19 45.16 2jmo s LEU 27 CO 0.17 -0.60 1.35 0.00 -0.55 0.00 0.00 176.35 176.72 2jmo h PRO 29 N 5.45 0.44 -6.86 0.00 0.13 -1.91 -3.38 132.00 125.87 2jmo h PRO 29 Ca -0.45 -0.23 -0.53 0.00 -0.87 0.00 0.00 66.00 63.92 2jmo h PRO 29 Cb 1.21 0.01 0.08 0.00 0.13 0.00 0.00 31.00 32.43 2jmo h PRO 29 CO 0.78 0.80 0.74 1.03 -0.23 0.00 0.00 178.00 181.13 2jmo s ARG 30 N -4.14 4.22 -0.02 0.86 1.81 -1.26 -4.90 118.95 115.52 2jmo s ARG 30 Ca -0.06 2.40 -0.25 0.00 -1.72 0.00 0.00 55.73 56.09 2jmo s ARG 30 Cb 0.12 -3.04 -0.19 0.00 -0.45 0.00 0.00 34.95 31.39 2jmo s ARG 30 CO 0.81 -0.41 1.22 -1.00 -0.68 0.00 0.00 175.30 175.24 2jmo h PRO 31 N 3.83 -0.06 -0.61 3.54 0.13 -1.99 0.16 132.00 136.99 2jmo h PRO 31 Ca -0.49 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 64.78 2jmo h PRO 31 Cb 1.23 0.01 -0.11 0.00 0.13 0.00 0.00 31.00 32.26 2jmo h PRO 31 CO 0.70 0.40 -0.06 0.78 -0.23 0.00 0.00 178.00 179.58 2jmo h GLY 32 N -0.56 0.57 0.19 1.56 0.00 -1.98 -2.88 103.07 99.97 2jmo h GLY 32 Ca -0.01 0.13 -0.01 0.00 0.00 0.00 0.00 47.33 47.45 2jmo h GLY 32 CO 0.01 -0.22 -0.08 0.00 0.00 0.00 0.00 176.54 176.25 2jmo n GLY 34 N 1.14 -1.28 3.97 0.00 0.00 0.56 -4.97 105.19 104.61 2jmo n GLY 34 Ca -0.04 0.56 -0.21 0.00 0.00 0.00 0.00 46.02 46.34 2jmo n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jmo s ALA 35 N -3.02 3.94 0.00 4.61 0.00 -1.26 -4.88 121.76 121.15 2jmo s ALA 35 Ca 0.03 -1.22 0.00 0.00 0.00 0.00 0.00 51.96 50.76 2jmo s ALA 35 Cb -0.01 -1.96 0.00 0.00 0.00 0.00 0.00 23.12 21.14 2jmo s ALA 35 CO 0.86 -0.27 0.27 0.41 0.00 0.00 0.00 175.76 177.03 2jmo n GLY 36 N -1.93 -1.17 3.63 0.00 0.00 -1.26 -1.96 105.19 102.49 2jmo n GLY 36 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 2jmo n GLY 36 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2jmo s LEU 37 N 0.00 3.86 -0.01 0.99 0.05 -1.26 -4.80 118.68 117.51 2jmo s LEU 37 Ca 0.00 2.13 -0.33 0.00 0.05 0.00 0.00 54.13 55.98 2jmo s LEU 37 Cb 0.00 -3.52 -0.11 0.00 -2.05 0.00 0.00 46.19 40.51 2jmo s LEU 37 CO 0.00 -1.54 1.86 -0.11 -0.55 0.00 0.00 176.35 176.01 2jmo n LEU 38 N 9.77 3.63 -4.77 1.48 0.00 -1.26 -4.86 117.00 120.99 2jmo n LEU 38 Ca 0.25 0.97 -0.34 0.00 0.00 0.00 0.00 56.01 56.89 2jmo n LEU 38 Cb 0.44 -1.43 0.04 0.00 0.00 0.00 0.00 43.42 42.46 2jmo n LEU 38 CO 0.67 0.00 0.75 -2.16 0.00 0.00 0.00 177.39 176.65 2jmo s PRO 39 N 3.62 2.94 1.14 1.96 0.04 -1.26 -5.01 135.00 138.43 2jmo s PRO 39 Ca 0.89 1.45 -0.18 0.00 0.04 0.00 0.00 61.00 63.20 2jmo s PRO 39 Cb -0.61 -1.96 0.15 0.00 0.04 0.00 0.00 34.50 32.11 2jmo s PRO 39 CO 0.46 -1.15 0.20 0.39 0.04 0.00 0.00 177.00 176.95 2jmo n GLU 40 N -2.13 -1.82 0.00 4.56 1.02 -1.26 -4.79 120.64 116.22 2jmo n GLU 40 Ca 0.11 -0.51 0.03 0.00 -0.02 0.00 0.00 57.16 56.76 2jmo n GLU 40 Cb 0.52 -1.79 0.16 0.00 -0.02 0.00 0.00 31.44 30.31 2jmo n GLU 40 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2jmo n PRO 41 N -2.66 0.49 -3.59 3.49 -0.04 -1.26 -4.43 135.00 126.99 2jmo n PRO 41 Ca 0.01 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.26 2jmo n PRO 41 Cb 0.61 -1.17 -0.16 0.00 -0.04 0.00 0.00 33.50 32.74 2jmo n PRO 41 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2jmo s ASP 42 N -1.68 1.60 0.00 3.54 1.01 -1.26 -4.99 116.67 114.88 2jmo s ASP 42 Ca 0.08 -0.23 0.02 0.00 0.71 0.00 0.00 52.55 53.13 2jmo s ASP 42 Cb 0.04 0.07 0.09 0.00 1.01 0.00 0.00 42.92 44.12 2jmo s ASP 42 CO 0.06 -0.31 0.97 0.00 0.21 0.00 0.00 175.17 176.10 2jmo n GLN 43 N 5.30 0.01 -0.23 8.23 0.00 -1.26 -3.52 117.38 125.92 2jmo n GLN 43 Ca -0.06 0.37 0.05 0.00 0.00 0.00 0.00 57.00 57.37 2jmo n GLN 43 Cb 0.49 -1.50 0.11 0.00 0.00 0.00 0.00 30.24 29.35 2jmo n GLN 43 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.06 174.93 2jmo n ARG 44 N -1.40 -0.06 -3.19 2.61 3.00 -1.26 -3.99 116.66 112.38 2jmo n ARG 44 Ca 0.01 0.98 0.01 0.00 -0.00 0.00 0.00 57.85 58.84 2jmo n ARG 44 Cb 0.02 -1.48 -0.02 0.00 0.00 0.00 0.00 32.46 30.98 2jmo n ARG 44 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 2jmo s LYS 45 N -5.73 0.52 -0.29 -0.14 2.20 -1.23 -5.08 119.74 109.99 2jmo s LYS 45 Ca -0.09 0.76 -0.00 0.00 -0.36 0.00 0.00 55.97 56.28 2jmo s LYS 45 Cb 0.17 0.26 0.06 0.00 -1.51 0.00 0.00 37.83 36.81 2jmo s LYS 45 CO 0.49 -0.75 -0.03 0.08 -0.36 0.00 0.00 175.35 174.78 2jmo s VAL 46 N 2.78 2.70 -0.20 4.02 1.01 -1.24 -4.87 120.40 124.61 2jmo s VAL 46 Ca 0.16 -1.51 -0.20 0.00 0.00 0.00 0.00 61.98 60.43 2jmo s VAL 46 Cb -0.14 -2.58 -0.03 0.00 0.00 0.00 0.00 36.38 33.63 2jmo s VAL 46 CO -0.22 -0.10 0.60 -0.89 0.00 0.00 0.00 175.10 174.48 2jmo s THR 47 N 1.19 5.05 0.29 3.92 2.01 -1.26 -1.41 115.64 125.42 2jmo s THR 47 Ca -0.06 1.12 0.37 0.00 0.31 0.00 0.00 61.69 63.43 2jmo s THR 47 Cb -0.20 -3.92 0.39 0.00 0.01 0.00 0.00 72.50 68.78 2jmo s THR 47 CO -0.03 0.13 2.11 0.00 -0.69 0.00 0.00 174.62 176.15 2jmo h GLU 49 N 0.00 -0.44 0.00 0.00 5.08 -1.91 -3.38 114.58 113.93 2jmo h GLU 49 Ca 0.00 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2jmo h GLU 49 Cb 0.21 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2jmo h GLU 49 CO 0.00 -0.16 0.00 0.41 -1.00 0.00 0.00 179.01 178.26 2jmo n GLY 50 N 0.26 2.37 2.43 -3.84 0.00 -1.06 -3.53 105.19 101.82 2jmo n GLY 50 Ca -0.08 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.12 2jmo n GLY 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jmo n GLY 51 N 0.00 1.59 0.12 -0.02 0.00 -1.26 -4.92 105.19 100.71 2jmo n GLY 51 Ca 0.00 -0.81 -0.25 0.00 0.00 0.00 0.00 46.02 44.97 2jmo n GLY 51 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2jmo n ASN 52 N -0.50 1.94 0.00 1.61 3.02 -1.23 -5.03 115.26 115.06 2jmo n ASN 52 Ca 0.01 0.36 0.00 0.00 -0.03 0.00 0.00 54.58 54.92 2jmo n ASN 52 Cb 0.88 -0.83 0.00 0.00 -0.61 0.00 0.00 39.78 39.21 2jmo n ASN 52 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jmo n GLY 53 N 1.32 0.33 3.96 7.41 0.00 -1.26 -5.16 105.19 111.80 2jmo n GLY 53 Ca -0.44 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.33 2jmo n GLY 53 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jmo s LEU 54 N 0.00 2.88 -0.38 0.99 2.01 -1.26 -5.09 118.68 117.83 2jmo s LEU 54 Ca 0.00 0.04 -0.03 0.00 0.01 0.00 0.00 54.13 54.15 2jmo s LEU 54 Cb 0.00 -2.41 0.20 0.00 0.01 0.00 0.00 46.19 43.99 2jmo s LEU 54 CO 0.00 -1.98 0.97 -0.83 1.01 0.00 0.00 176.35 175.52 2jmo s GLY 55 N -4.70 -1.65 0.08 -3.19 0.00 -1.26 -4.12 107.32 92.47 2jmo s GLY 55 Ca 0.66 0.47 -0.19 0.00 0.00 0.00 0.00 44.72 45.67 2jmo s GLY 55 CO 0.46 4.12 1.50 0.00 0.00 0.00 0.00 173.10 179.18 2jmo n GLY 57 N -0.26 0.17 3.02 0.00 0.00 -1.26 -5.04 105.19 101.82 2jmo n GLY 57 Ca -0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 2jmo n GLY 57 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2jmo s PHE 58 N -2.00 3.18 0.63 1.61 2.19 -1.26 -5.04 117.98 117.29 2jmo s PHE 58 Ca 0.00 -2.37 -0.18 0.00 0.33 0.00 0.00 56.93 54.71 2jmo s PHE 58 Cb 0.00 -2.10 -0.03 0.00 -1.31 0.00 0.00 43.02 39.59 2jmo s PHE 58 CO 0.00 -0.88 1.14 0.00 1.83 0.00 0.00 175.22 177.31 2jmo n ALA 59 N 4.44 0.69 -2.62 11.12 0.00 -1.26 -4.61 120.51 128.28 2jmo n ALA 59 Ca -0.09 -0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.06 2jmo n ALA 59 Cb 0.42 -2.22 -0.08 0.00 0.00 0.00 0.00 19.45 17.57 2jmo n ALA 59 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2jmo s PHE 60 N -1.45 1.79 -0.31 0.00 -0.71 -0.50 -3.97 117.98 112.83 2jmo s PHE 60 Ca 0.80 -1.20 -0.10 0.00 -1.04 0.00 0.00 56.93 55.38 2jmo s PHE 60 Cb -0.39 -1.31 -0.02 0.00 -1.21 0.00 0.00 43.02 40.09 2jmo s PHE 60 CO 0.43 -0.14 0.17 0.00 -1.34 0.00 0.00 175.22 174.35 2jmo h ARG 62 N 8.38 0.00 -0.36 0.00 0.11 -1.86 2.20 114.38 122.85 2jmo h ARG 62 Ca -0.33 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.73 2jmo h ARG 62 Cb 1.16 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.22 2jmo h ARG 62 CO 0.61 0.17 0.15 1.49 0.10 0.00 0.00 179.97 182.49 2jmo h GLU 63 N 0.00 0.53 -0.15 0.08 4.57 -1.92 -3.11 114.58 114.58 2jmo h GLU 63 Ca -0.00 -0.09 0.00 0.00 -1.18 0.00 0.00 59.36 58.08 2jmo h GLU 63 Cb 0.55 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.05 2jmo h GLU 63 CO 0.02 0.51 0.00 0.00 -1.18 0.00 0.00 179.01 178.37 2jmo n LYS 65 N 0.24 -2.62 -4.66 0.00 2.85 0.74 -4.89 118.16 109.81 2jmo n LYS 65 Ca 0.06 0.23 -0.30 0.00 -1.05 0.00 0.00 58.31 57.25 2jmo n LYS 65 Cb 0.30 -4.80 -0.08 0.00 -0.65 0.00 0.00 35.03 29.80 2jmo n LYS 65 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 2jmo s GLU 66 N -5.43 2.08 0.18 -1.58 2.02 -0.88 -4.87 118.70 110.22 2jmo s GLU 66 Ca 0.16 -2.30 -0.33 0.00 0.02 0.00 0.00 54.97 52.52 2jmo s GLU 66 Cb -0.09 -1.20 -0.14 0.00 0.10 0.00 0.00 34.13 32.79 2jmo s GLU 66 CO 0.20 -0.38 1.42 0.00 0.02 0.00 0.00 175.26 176.51 2jmo n ALA 67 N -1.12 0.57 -1.51 5.21 0.00 -1.26 -0.68 120.51 121.71 2jmo n ALA 67 Ca -0.14 0.45 -0.42 0.00 0.00 0.00 0.00 53.44 53.34 2jmo n ALA 67 Cb 0.66 -2.23 -0.07 0.00 0.00 0.00 0.00 19.45 17.81 2jmo n ALA 67 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 2jmo n TYR 68 N 2.46 1.26 0.97 0.00 4.19 -1.25 -4.64 117.16 120.15 2jmo n TYR 68 Ca 0.15 0.22 0.10 0.00 3.31 0.00 0.00 57.90 61.69 2jmo n TYR 68 Cb 0.27 -2.54 0.52 0.00 0.49 0.00 0.00 39.34 38.08 2jmo n TYR 68 CO 0.00 0.00 0.00 -2.39 0.91 0.00 0.00 176.86 175.38 2jmo n HIS 69 N 12.70 0.00 -3.88 2.98 -0.00 -1.26 -4.88 115.22 120.88 2jmo n HIS 69 Ca 0.46 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.87 2jmo n HIS 69 Cb 0.32 -0.30 0.02 0.00 -0.00 0.00 0.00 29.99 30.02 2jmo n HIS 69 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 2jmo n GLU 70 N -1.30 -5.04 0.00 -1.40 1.02 -1.26 -4.73 120.64 107.93 2jmo n GLU 70 Ca 0.10 0.57 0.00 0.00 -0.02 0.00 0.00 57.16 57.80 2jmo n GLU 70 Cb 0.17 -5.43 0.00 0.00 -0.02 0.00 0.00 31.44 26.17 2jmo n GLU 70 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jmo n GLY 71 N -1.61 -0.28 3.41 0.62 0.00 -1.26 -5.17 105.19 100.90 2jmo n GLY 71 Ca 0.04 0.43 -0.14 0.00 0.00 0.00 0.00 46.02 46.35 2jmo n GLY 71 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jmo s GLU 72 N 0.66 0.70 0.16 1.61 0.41 -1.26 -5.04 118.70 115.93 2jmo s GLU 72 Ca 0.00 0.49 -0.12 0.00 -0.41 0.00 0.00 54.97 54.92 2jmo s GLU 72 Cb 0.00 0.33 0.04 0.00 -1.78 0.00 0.00 34.13 32.72 2jmo s GLU 72 CO 0.00 -0.14 1.64 0.00 -0.49 0.00 0.00 175.26 176.28 2jmo h SER 74 N 0.75 0.39 -0.47 0.00 0.87 -2.00 0.43 113.55 113.52 2jmo h SER 74 Ca 0.16 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.74 2jmo h SER 74 Cb 0.40 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.31 2jmo h SER 74 CO 0.01 0.20 0.00 0.00 -0.53 0.00 0.00 176.83 176.51 2jmo n ALA 75 N -2.52 3.35 -0.24 6.23 0.00 -0.91 -4.47 120.51 121.95 2jmo n ALA 75 Ca 0.15 -1.39 0.32 0.00 0.00 0.00 0.00 53.44 52.52 2jmo n ALA 75 Cb 0.55 -1.07 0.73 0.00 0.00 0.00 0.00 19.45 19.66 2jmo n ALA 75 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2jmo h VAL 76 N 3.15 0.41 -3.43 0.00 2.07 0.12 -3.39 116.25 115.19 2jmo h VAL 76 Ca 0.00 0.00 -0.66 0.00 0.82 0.00 0.00 66.70 66.86 2jmo h VAL 76 Cb 1.48 0.44 -0.14 0.00 -1.52 0.00 0.00 31.29 31.56 2jmo h VAL 76 CO 0.31 0.00 -0.68 0.12 0.02 0.00 0.00 177.57 177.34 2jmo s PHE 77 N -4.88 2.95 -0.12 1.57 2.19 -1.26 -5.11 117.98 113.31 2jmo s PHE 77 Ca -0.05 -0.03 0.00 0.00 0.33 0.00 0.00 56.93 57.18 2jmo s PHE 77 Cb 0.21 -1.56 -0.02 0.00 -1.31 0.00 0.00 43.02 40.35 2jmo s PHE 77 CO 0.75 0.45 -0.13 -1.21 1.83 0.00 0.00 175.22 176.91 2jmo s GLU 78 N -2.02 3.33 0.00 10.12 0.41 -1.26 -5.02 118.70 124.26 2jmo s GLU 78 Ca 0.23 -0.69 -0.20 0.00 -0.41 0.00 0.00 54.97 53.90 2jmo s GLU 78 Cb -0.11 -2.61 -0.23 0.00 -1.78 0.00 0.00 34.13 29.39 2jmo s GLU 78 CO 0.14 0.24 1.10 0.00 -0.49 0.00 0.00 175.26 176.26 2jmo h ALA 79 N 6.61 0.08 -0.02 5.21 0.00 -2.00 -3.55 119.26 125.59 2jmo h ALA 79 Ca -0.27 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.08 2jmo h ALA 79 Cb 1.21 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2jmo h ALA 79 CO 0.55 0.33 0.00 0.45 0.00 0.00 0.00 179.25 180.58