#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eei s SER 2 N 0.00 6.12 0.32 1.61 0.01 -1.26 -4.93 113.70 115.57 2eei s SER 2 Ca 0.00 1.54 0.04 0.00 1.31 0.00 0.00 55.95 58.84 2eei s SER 2 Cb 0.00 -2.49 0.82 0.00 0.21 0.00 0.00 66.02 64.56 2eei s SER 2 CO 0.00 -0.94 1.56 -0.24 0.41 0.00 0.00 173.24 174.03 2eei n SER 3 N -2.45 -0.07 0.00 2.44 2.88 -1.26 -4.74 113.62 110.42 2eei n SER 3 Ca 0.07 1.69 0.00 0.00 -1.33 0.00 0.00 58.87 59.30 2eei n SER 3 Cb 0.54 -0.64 0.00 0.00 -0.75 0.00 0.00 64.21 63.36 2eei n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2eei n GLY 4 N -1.48 5.33 4.01 0.46 0.00 -1.26 -5.18 105.19 107.07 2eei n GLY 4 Ca 0.25 -0.80 -0.20 0.00 0.00 0.00 0.00 46.02 45.27 2eei n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2eei s SER 5 N 1.17 5.18 -0.02 1.61 0.01 -1.26 -4.91 113.70 115.47 2eei s SER 5 Ca 0.00 -0.79 0.00 0.00 1.31 0.00 0.00 55.95 56.48 2eei s SER 5 Cb 0.00 0.07 0.02 0.00 0.21 0.00 0.00 66.02 66.32 2eei s SER 5 CO 0.00 -1.17 0.00 -0.55 0.41 0.00 0.00 173.24 171.94 2eei s SER 6 N -4.54 0.28 0.00 2.44 0.15 -1.26 -4.91 113.70 105.86 2eei s SER 6 Ca 0.57 -0.01 0.00 0.00 0.70 0.00 0.00 55.95 57.21 2eei s SER 6 Cb -0.06 -0.14 0.00 0.00 -1.71 0.00 0.00 66.02 64.11 2eei s SER 6 CO 0.36 -0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.32 2eei n GLY 7 N 3.92 0.84 0.50 9.45 0.00 -1.26 -5.07 105.19 113.57 2eei n GLY 7 Ca -0.24 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.58 2eei n GLY 7 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2eei h GLN 8 N 0.00 -1.21 -7.36 1.61 4.20 -2.03 -3.45 115.11 106.88 2eei h GLN 8 Ca 0.00 0.08 -0.45 0.00 0.06 0.00 0.00 58.65 58.34 2eei h GLN 8 Cb 0.00 0.28 0.16 0.00 0.30 0.00 0.00 27.48 28.22 2eei h GLN 8 CO 0.00 -0.81 0.18 -1.25 -0.67 0.00 0.00 178.83 176.29 2eei s PRO 9 N -5.63 0.24 0.13 1.46 0.04 -1.26 -5.05 135.00 124.93 2eei s PRO 9 Ca -0.18 0.46 -0.02 0.00 0.04 0.00 0.00 61.00 61.30 2eei s PRO 9 Cb 0.02 -1.72 -0.05 0.00 0.04 0.00 0.00 34.50 32.79 2eei s PRO 9 CO 0.55 -2.85 0.32 1.03 0.04 0.00 0.00 177.00 176.09 2eei s ARG 10 N -4.98 3.53 -0.36 4.56 1.81 -1.11 -5.03 118.95 117.36 2eei s ARG 10 Ca 0.66 -0.29 -0.09 0.00 -1.72 0.00 0.00 55.73 54.29 2eei s ARG 10 Cb -0.18 -2.92 0.03 0.00 -0.45 0.00 0.00 34.95 31.43 2eei s ARG 10 CO 0.58 0.50 0.17 -1.17 -0.68 0.00 0.00 175.30 174.70 2eei s LEU 11 N -2.77 4.58 -0.64 2.53 1.98 -1.26 -3.26 118.68 119.83 2eei s LEU 11 Ca 0.38 -1.07 -0.18 0.00 -2.89 0.00 0.00 54.13 50.37 2eei s LEU 11 Cb -0.12 -1.96 0.13 0.00 0.66 0.00 0.00 46.19 44.89 2eei s LEU 11 CO 0.27 -0.37 0.70 0.00 -1.89 0.00 0.00 176.35 175.06 2eei s TYR 13 N 2.15 2.73 0.21 0.00 5.04 -1.26 -0.30 117.35 125.92 2eei s TYR 13 Ca 0.12 -0.13 -0.13 0.00 -2.44 0.00 0.00 57.07 54.49 2eei s TYR 13 Cb -0.22 -4.17 -0.07 0.00 0.35 0.00 0.00 41.96 37.85 2eei s TYR 13 CO 0.02 -1.47 0.59 -0.51 -1.34 0.00 0.00 175.55 172.85 2eei s LEU 14 N 4.11 4.23 -0.11 6.97 2.01 -0.70 -4.75 118.68 130.44 2eei s LEU 14 Ca 0.29 1.08 -0.04 0.00 0.01 0.00 0.00 54.13 55.47 2eei s LEU 14 Cb -0.13 -3.57 0.06 0.00 0.01 0.00 0.00 46.19 42.55 2eei s LEU 14 CO 0.17 -0.02 0.21 -0.69 1.01 0.00 0.00 176.35 177.03 2eei s VAL 15 N -1.68 -0.33 -0.59 -1.59 1.01 -1.26 -2.15 120.40 113.81 2eei s VAL 15 Ca 0.44 0.29 -0.32 0.00 0.00 0.00 0.00 61.98 62.39 2eei s VAL 15 Cb -0.13 -0.38 -0.14 0.00 0.00 0.00 0.00 36.38 35.73 2eei s VAL 15 CO 0.20 0.11 2.41 0.29 0.00 0.00 0.00 175.10 178.10 2eei n LYS 16 N 5.34 0.68 -0.05 2.72 5.02 -1.12 -4.77 118.16 125.96 2eei n LYS 16 Ca -0.05 0.10 -0.05 0.00 -2.02 0.00 0.00 58.31 56.28 2eei n LYS 16 Cb 0.50 -2.39 -0.02 0.00 -0.02 0.00 0.00 35.03 33.10 2eei n LYS 16 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2eei n GLU 17 N 8.48 0.32 -4.47 1.97 1.02 -1.26 -5.03 120.64 121.68 2eei n GLU 17 Ca 0.48 0.13 -0.22 0.00 -0.02 0.00 0.00 57.16 57.53 2eei n GLU 17 Cb 0.24 -1.05 -0.16 0.00 -0.02 0.00 0.00 31.44 30.45 2eei n GLU 17 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2eei s GLY 18 N -4.22 0.64 0.00 0.62 0.00 -1.26 -5.04 107.32 98.06 2eei s GLY 18 Ca -0.18 -0.36 0.00 0.00 0.00 0.00 0.00 44.72 44.18 2eei s GLY 18 CO 0.26 0.01 0.00 0.61 0.00 0.00 0.00 173.10 173.98 2eei n GLY 19 N 3.52 0.89 3.47 0.20 0.00 -1.26 -4.45 105.19 107.55 2eei n GLY 19 Ca -0.21 0.70 -0.25 0.00 0.00 0.00 0.00 46.02 46.27 2eei n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2eei s SER 20 N -4.00 3.63 1.06 1.61 1.04 -1.26 -5.07 113.70 110.71 2eei s SER 20 Ca 0.00 -0.92 -0.19 0.00 0.48 0.00 0.00 55.95 55.32 2eei s SER 20 Cb 0.00 -0.34 0.02 0.00 0.10 0.00 0.00 66.02 65.79 2eei s SER 20 CO 0.00 0.07 -0.27 -1.22 0.98 0.00 0.00 173.24 172.80 2eei n TYR 21 N -0.28 -1.71 -1.50 5.02 4.01 -1.26 -4.88 117.16 116.57 2eei n TYR 21 Ca -0.08 0.24 -0.35 0.00 -0.16 0.00 0.00 57.90 57.55 2eei n TYR 21 Cb 0.58 -1.56 0.07 0.00 -0.31 0.00 0.00 39.34 38.12 2eei n TYR 21 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2eei n GLY 22 N 2.31 5.84 3.28 2.72 0.00 -1.26 -4.93 105.19 113.15 2eei n GLY 22 Ca 0.01 -2.37 -0.13 0.00 0.00 0.00 0.00 46.02 43.53 2eei n GLY 22 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2eei s PHE 23 N -3.86 -0.23 0.05 1.61 -0.12 -1.26 -2.25 117.98 111.92 2eei s PHE 23 Ca 0.61 0.30 0.06 0.00 -0.05 0.00 0.00 56.93 57.85 2eei s PHE 23 Cb 0.49 0.14 -0.03 0.00 -0.63 0.00 0.00 43.02 43.00 2eei s PHE 23 CO -0.09 -0.45 -0.16 -1.12 -0.05 0.00 0.00 175.22 173.34 2eei s SER 24 N -1.52 1.91 0.10 1.98 0.01 -1.03 -5.00 113.70 110.15 2eei s SER 24 Ca -0.11 -0.53 0.05 0.00 1.31 0.00 0.00 55.95 56.67 2eei s SER 24 Cb -0.03 -0.12 -0.04 0.00 0.21 0.00 0.00 66.02 66.04 2eei s SER 24 CO 0.03 0.04 0.02 -0.76 0.41 0.00 0.00 173.24 172.97 2eei s LEU 25 N -1.36 3.50 -0.00 2.44 1.43 -1.26 -2.60 118.68 120.83 2eei s LEU 25 Ca 0.02 -0.18 -0.19 0.00 -1.03 0.00 0.00 54.13 52.75 2eei s LEU 25 Cb -0.09 -2.21 0.04 0.00 0.03 0.00 0.00 46.19 43.96 2eei s LEU 25 CO 0.02 0.16 0.42 -1.59 0.23 0.00 0.00 176.35 175.59 2eei s LYS 26 N -2.44 0.84 -0.12 1.70 -2.85 -1.26 -5.00 119.74 110.61 2eei s LYS 26 Ca 0.27 -0.16 0.00 0.00 -1.00 0.00 0.00 55.97 55.08 2eei s LYS 26 Cb -0.11 0.38 -0.02 0.00 -2.06 0.00 0.00 37.83 36.02 2eei s LYS 26 CO 0.19 -0.26 -0.13 0.95 0.10 0.00 0.00 175.35 176.21 2eei s THR 27 N -1.69 3.12 -0.10 3.79 -4.23 -1.26 -4.11 115.64 111.16 2eei s THR 27 Ca -0.10 -0.65 -0.00 0.00 -1.18 0.00 0.00 61.69 59.76 2eei s THR 27 Cb -0.03 -2.30 -0.03 0.00 1.34 0.00 0.00 72.50 71.49 2eei s THR 27 CO 0.03 0.54 -0.08 -0.69 -0.54 0.00 0.00 174.62 173.87 2eei s VAL 28 N 0.13 3.52 0.12 2.29 1.01 -1.26 -5.03 120.40 121.17 2eei s VAL 28 Ca -0.06 -0.52 -0.23 0.00 0.00 0.00 0.00 61.98 61.16 2eei s VAL 28 Cb -0.15 -2.47 -0.06 0.00 0.00 0.00 0.00 36.38 33.71 2eei s VAL 28 CO 0.05 0.56 1.41 -0.61 0.00 0.00 0.00 175.10 176.50 2eei h GLN 29 N 5.95 -0.04 -2.54 2.72 5.75 -2.01 -0.61 115.11 124.33 2eei h GLN 29 Ca -0.39 0.00 -0.55 0.00 -0.15 0.00 0.00 58.65 57.57 2eei h GLN 29 Cb 1.18 0.01 -0.06 0.00 1.07 0.00 0.00 27.48 29.69 2eei h GLN 29 CO 0.55 -0.03 2.05 0.41 -2.65 0.00 0.00 178.83 179.17 2eei n GLY 30 N -1.20 4.18 3.86 2.39 0.00 -1.26 -4.84 105.19 108.32 2eei n GLY 30 Ca 0.01 -1.61 -0.07 0.00 0.00 0.00 0.00 46.02 44.35 2eei n GLY 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2eei s LYS 31 N 0.62 1.80 0.34 1.61 1.02 -0.24 -5.19 119.74 119.70 2eei s LYS 31 Ca 0.64 -1.00 0.10 0.00 0.02 0.00 0.00 55.97 55.73 2eei s LYS 31 Cb 0.24 0.61 -0.06 0.00 -0.52 0.00 0.00 37.83 38.10 2eei s LYS 31 CO -0.08 -0.82 -0.09 0.15 -0.92 0.00 0.00 175.35 173.59 2eei s LYS 32 N -3.87 1.84 0.00 1.68 1.02 -1.26 -4.77 119.74 114.38 2eei s LYS 32 Ca 0.11 -1.89 0.00 0.00 0.02 0.00 0.00 55.97 54.21 2eei s LYS 32 Cb -0.06 -1.75 0.00 0.00 -0.52 0.00 0.00 37.83 35.50 2eei s LYS 32 CO 0.07 0.16 0.00 0.41 -0.92 0.00 0.00 175.35 175.07 2eei n GLY 33 N -0.80 1.09 3.17 -3.33 0.00 -0.89 -4.78 105.19 99.65 2eei n GLY 33 Ca -0.05 -0.22 -0.11 0.00 0.00 0.00 0.00 46.02 45.64 2eei n GLY 33 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2eei s VAL 34 N 0.00 0.17 -0.20 1.61 -7.23 -1.26 -4.73 120.40 108.76 2eei s VAL 34 Ca 0.00 -1.93 -0.20 0.00 -1.81 0.00 0.00 61.98 58.04 2eei s VAL 34 Cb 0.00 -2.11 0.05 0.00 0.56 0.00 0.00 36.38 34.89 2eei s VAL 34 CO 0.00 -0.41 0.56 -0.72 -0.31 0.00 0.00 175.10 174.21 2eei s TYR 35 N -4.00 -0.60 -0.20 2.82 -0.85 -1.26 -2.75 117.35 110.51 2eei s TYR 35 Ca 0.26 1.45 -0.37 0.00 -0.52 0.00 0.00 57.07 57.89 2eei s TYR 35 Cb 0.07 0.22 -0.13 0.00 0.38 0.00 0.00 41.96 42.50 2eei s TYR 35 CO 0.03 -0.31 1.86 -1.33 -1.52 0.00 0.00 175.55 174.28 2eei n MET 36 N 2.65 1.66 -0.07 -3.49 2.81 -1.08 -4.26 117.12 115.34 2eei n MET 36 Ca -0.14 0.60 -0.13 0.00 -1.81 0.00 0.00 57.70 56.22 2eei n MET 36 Cb 0.56 -2.42 -0.06 0.00 -0.71 0.00 0.00 33.22 30.59 2eei n MET 36 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 2eei n THR 37 N 5.17 0.82 -3.68 2.03 5.66 -1.07 0.24 114.28 123.45 2eei n THR 37 Ca 0.26 -0.26 -0.39 0.00 -3.05 0.00 0.00 64.05 60.61 2eei n THR 37 Cb 0.22 -1.34 -0.12 0.00 -1.55 0.00 0.00 70.33 67.55 2eei n THR 37 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2eei s ASP 38 N -5.85 5.50 -0.66 1.09 -1.08 -1.25 -4.26 116.67 110.16 2eei s ASP 38 Ca -0.20 -1.15 -0.06 0.00 -0.52 0.00 0.00 52.55 50.62 2eei s ASP 38 Cb 0.06 -1.94 0.17 0.00 -1.46 0.00 0.00 42.92 39.76 2eei s ASP 38 CO 0.30 -0.38 0.50 -0.63 0.52 0.00 0.00 175.17 175.48 2eei s ILE 39 N 1.45 4.14 0.21 4.11 -1.09 -1.26 -2.46 121.20 126.30 2eei s ILE 39 Ca 0.00 -2.79 -0.29 0.00 -2.23 0.00 0.00 60.65 55.34 2eei s ILE 39 Cb -0.20 -3.66 -0.16 0.00 -1.58 0.00 0.00 42.46 36.86 2eei s ILE 39 CO 0.04 -0.90 0.79 0.41 -1.23 0.00 0.00 174.94 174.05 2eei n THR 40 N 3.67 1.73 -2.23 2.92 -1.04 -0.96 -4.86 114.28 113.51 2eei n THR 40 Ca 0.08 -0.43 -0.41 0.00 -2.04 0.00 0.00 64.05 61.25 2eei n THR 40 Cb 0.40 -0.42 -0.03 0.00 -1.82 0.00 0.00 70.33 68.46 2eei n THR 40 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2eei s PRO 41 N -1.04 4.41 -1.51 -2.82 0.04 -1.26 -3.38 135.00 129.44 2eei s PRO 41 Ca 0.65 2.05 -0.03 0.00 0.04 0.00 0.00 61.00 63.71 2eei s PRO 41 Cb -0.87 -3.17 0.03 0.00 0.04 0.00 0.00 34.50 30.53 2eei s PRO 41 CO 0.57 -0.19 0.34 1.04 0.04 0.00 0.00 177.00 178.80 2eei n GLN 42 N 2.16 -2.40 -3.04 4.56 1.13 -1.26 -4.94 117.38 113.59 2eei n GLN 42 Ca 0.04 0.29 -0.14 0.00 -1.94 0.00 0.00 57.00 55.25 2eei n GLN 42 Cb 0.43 -4.30 -0.02 0.00 0.11 0.00 0.00 30.24 26.45 2eei n GLN 42 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2eei n GLY 43 N -2.07 3.75 0.38 1.08 0.00 -1.22 -4.88 105.19 102.24 2eei n GLY 43 Ca -0.25 -2.27 0.19 0.00 0.00 0.00 0.00 46.02 43.69 2eei n GLY 43 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2eei h VAL 44 N 1.02 0.57 0.02 1.61 2.07 -1.88 0.23 116.25 119.89 2eei h VAL 44 Ca -0.18 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 67.16 2eei h VAL 44 Cb 0.55 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 2eei h VAL 44 CO 0.29 0.10 -0.01 0.00 0.02 0.00 0.00 177.57 177.97 2eei h ALA 45 N 1.66 -0.23 -1.25 1.67 0.00 -1.87 -2.74 119.26 116.50 2eei h ALA 45 Ca 0.60 -0.01 0.41 0.00 0.00 0.00 0.00 54.91 55.91 2eei h ALA 45 Cb 1.28 0.01 -0.13 0.00 0.00 0.00 0.00 17.79 18.96 2eei h ALA 45 CO -0.36 -0.23 0.79 1.98 0.00 0.00 0.00 179.25 181.44 2eei h MET 46 N -0.10 0.13 -0.46 0.00 -1.53 -1.68 1.02 114.93 112.31 2eei h MET 46 Ca -0.00 -0.01 -0.13 0.00 -3.44 0.00 0.00 59.70 56.12 2eei h MET 46 Cb 0.02 -0.03 -0.01 0.00 -0.55 0.00 0.00 31.60 31.03 2eei h MET 46 CO 0.00 0.09 -0.23 0.00 0.14 0.00 0.00 176.91 176.91 2eei h ARG 47 N 0.13 0.97 0.00 0.39 2.47 -0.65 -2.80 114.38 114.90 2eei h ARG 47 Ca 0.79 -0.43 -0.04 0.00 -1.26 0.00 0.00 59.98 59.05 2eei h ARG 47 Cb 2.37 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 30.66 2eei h ARG 47 CO -0.43 1.10 -0.17 0.00 0.56 0.00 0.00 179.97 181.03 2eei h ALA 48 N 0.85 1.16 0.00 0.04 0.00 0.14 -3.46 119.26 117.98 2eei h ALA 48 Ca 0.10 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2eei h ALA 48 Cb 0.81 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2eei h ALA 48 CO 0.07 0.21 0.00 0.41 0.00 0.00 0.00 179.25 179.94 2eei n GLY 49 N -0.32 1.26 3.43 0.00 0.00 -0.56 -4.53 105.19 104.48 2eei n GLY 49 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 2eei n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2eei s VAL 50 N -2.00 4.02 0.68 1.61 0.11 -1.18 -4.83 120.40 118.81 2eei s VAL 50 Ca 0.00 -0.28 -0.07 0.00 -2.93 0.00 0.00 61.98 58.70 2eei s VAL 50 Cb 0.00 -2.84 0.05 0.00 -1.53 0.00 0.00 36.38 32.05 2eei s VAL 50 CO 0.00 0.40 1.00 -0.76 -3.33 0.00 0.00 175.10 172.41 2eei s LEU 51 N 1.28 2.90 0.53 2.54 1.43 -1.26 -4.31 118.68 121.79 2eei s LEU 51 Ca 0.04 0.57 -0.08 0.00 -1.03 0.00 0.00 54.13 53.64 2eei s LEU 51 Cb -0.15 -3.26 -0.04 0.00 0.03 0.00 0.00 46.19 42.77 2eei s LEU 51 CO 0.02 -1.48 0.88 0.00 0.23 0.00 0.00 176.35 176.00 2eei s ALA 52 N -3.22 3.28 -1.63 4.21 0.00 -1.26 -3.94 121.76 119.21 2eei s ALA 52 Ca 0.59 -0.33 0.00 0.00 0.00 0.00 0.00 51.96 52.22 2eei s ALA 52 Cb -0.11 -2.79 0.00 0.00 0.00 0.00 0.00 23.12 20.23 2eei s ALA 52 CO 0.45 -0.47 0.00 -0.25 0.00 0.00 0.00 175.76 175.50 2eei n ASP 53 N -2.41 -5.18 -4.56 0.00 9.92 0.65 -4.78 116.55 110.20 2eei n ASP 53 Ca 0.03 0.13 -0.43 0.00 -0.53 0.00 0.00 54.79 53.99 2eei n ASP 53 Cb 0.55 -4.39 -0.04 0.00 -0.64 0.00 0.00 41.12 36.60 2eei n ASP 53 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 2eei s ASP 54 N -2.14 6.46 -0.54 -2.24 1.01 -0.98 -4.70 116.67 113.55 2eei s ASP 54 Ca 0.00 0.02 -0.29 0.00 0.71 0.00 0.00 52.55 52.99 2eei s ASP 54 Cb 0.00 -2.46 -0.10 0.00 1.01 0.00 0.00 42.92 41.37 2eei s ASP 54 CO 0.00 -1.13 2.42 1.57 0.21 0.00 0.00 175.17 178.24 2eei n HIS 55 N 7.36 1.34 -1.65 4.23 -0.00 -1.26 -2.63 115.22 122.61 2eei n HIS 55 Ca 0.06 0.17 -0.43 0.00 0.46 0.00 0.00 57.72 57.98 2eei n HIS 55 Cb 0.48 -2.58 -0.00 0.00 -0.12 0.00 0.00 29.99 27.77 2eei n HIS 55 CO 0.00 0.00 0.00 -0.11 0.46 0.00 0.00 176.34 176.69 2eei n LEU 56 N 13.52 2.94 -0.06 0.27 7.94 -1.11 -4.03 117.00 136.48 2eei n LEU 56 Ca 0.43 1.16 -0.12 0.00 -1.11 0.00 0.00 56.01 56.37 2eei n LEU 56 Cb 0.39 -1.41 -0.04 0.00 0.53 0.00 0.00 43.42 42.89 2eei n LEU 56 CO 0.76 -0.95 -0.88 -0.38 -1.11 0.00 0.00 177.39 174.83 2eei n ILE 57 N 0.09 0.62 -3.98 1.96 2.08 -0.16 -4.55 119.36 115.42 2eei n ILE 57 Ca 0.07 -0.17 -0.10 0.00 0.56 0.00 0.00 62.75 63.11 2eei n ILE 57 Cb 0.36 -1.55 -0.04 0.00 -0.75 0.00 0.00 39.64 37.66 2eei n ILE 57 CO 0.00 0.00 0.00 -1.83 0.56 0.00 0.00 176.55 175.28 2eei s GLU 58 N -2.21 1.76 -0.19 0.38 -1.05 -1.22 -1.22 118.70 114.95 2eei s GLU 58 Ca -0.16 -1.38 -0.05 0.00 -0.15 0.00 0.00 54.97 53.24 2eei s GLU 58 Cb 0.06 0.50 0.07 0.00 -0.44 0.00 0.00 34.13 34.32 2eei s GLU 58 CO 0.20 -0.76 0.15 0.08 0.95 0.00 0.00 175.26 175.89 2eei s VAL 59 N -3.52 -0.19 -0.86 1.83 1.01 0.23 -3.28 120.40 115.62 2eei s VAL 59 Ca 0.22 -0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.05 2eei s VAL 59 Cb -0.02 -0.62 0.00 0.00 0.00 0.00 0.00 36.38 35.74 2eei s VAL 59 CO 0.12 -0.25 0.00 0.59 0.00 0.00 0.00 175.10 175.55 2eei n ASN 60 N 5.30 -3.44 -0.07 3.32 3.02 0.63 -3.13 115.26 120.90 2eei n ASN 60 Ca -0.06 0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.52 2eei n ASN 60 Cb 0.49 -2.54 0.00 0.00 -0.61 0.00 0.00 39.78 37.12 2eei n ASN 60 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2eei n GLY 61 N -1.15 0.85 2.71 7.41 0.00 -1.26 -4.91 105.19 108.84 2eei n GLY 61 Ca -0.11 -0.61 -0.22 0.00 0.00 0.00 0.00 46.02 45.07 2eei n GLY 61 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2eei s GLU 62 N -3.25 0.27 -0.05 1.61 2.02 -1.18 -5.11 118.70 113.00 2eei s GLU 62 Ca 0.00 0.15 -0.30 0.00 0.02 0.00 0.00 54.97 54.85 2eei s GLU 62 Cb 0.00 -0.98 -0.08 0.00 0.10 0.00 0.00 34.13 33.17 2eei s GLU 62 CO 0.00 -0.39 2.05 -1.71 0.02 0.00 0.00 175.26 175.24 2eei n ASN 63 N 5.22 3.82 -0.22 -0.19 2.85 -1.26 -0.60 115.26 124.88 2eei n ASN 63 Ca -0.06 0.68 0.08 0.00 -0.11 0.00 0.00 54.58 55.18 2eei n ASN 63 Cb 0.50 -1.52 0.13 0.00 1.24 0.00 0.00 39.78 40.13 2eei n ASN 63 CO 0.00 0.00 0.00 1.33 -2.11 0.00 0.00 177.26 176.48 2eei n VAL 64 N 6.23 1.72 0.18 3.44 0.24 -0.36 -4.74 118.33 125.05 2eei n VAL 64 Ca 0.24 -2.17 -0.15 0.00 -2.04 0.00 0.00 64.34 60.21 2eei n VAL 64 Cb 0.41 -0.15 -0.08 0.00 -1.47 0.00 0.00 33.84 32.56 2eei n VAL 64 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 2eei h GLU 65 N 0.17 -0.72 0.00 7.34 4.39 -1.75 -2.56 114.58 121.44 2eei h GLU 65 Ca -0.00 0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.74 2eei h GLU 65 Cb 1.06 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.87 2eei h GLU 65 CO 0.00 -0.48 -0.42 -0.40 -1.16 0.00 0.00 179.01 176.56 2eei n ASP 66 N -5.48 0.60 -4.45 1.42 5.75 -1.26 -2.10 116.55 111.02 2eei n ASP 66 Ca -0.09 0.17 -0.33 0.00 -0.01 0.00 0.00 54.79 54.54 2eei n ASP 66 Cb 0.39 -0.07 0.13 0.00 -1.03 0.00 0.00 41.12 40.54 2eei n ASP 66 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2eei n ALA 67 N -1.72 -2.34 -2.65 2.12 0.00 -0.97 -4.43 120.51 110.52 2eei n ALA 67 Ca 0.05 -0.61 -0.34 0.00 0.00 0.00 0.00 53.44 52.54 2eei n ALA 67 Cb 0.41 -1.86 -0.05 0.00 0.00 0.00 0.00 19.45 17.94 2eei n ALA 67 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2eei s SER 68 N -2.11 6.57 0.28 0.00 0.01 -1.26 -3.79 113.70 113.40 2eei s SER 68 Ca 0.58 0.69 -0.05 0.00 1.31 0.00 0.00 55.95 58.48 2eei s SER 68 Cb -0.21 -2.14 0.51 0.00 0.21 0.00 0.00 66.02 64.39 2eei s SER 68 CO 0.66 0.20 1.49 1.57 0.41 0.00 0.00 173.24 177.57 2eei n HIS 69 N 0.94 0.41 -0.31 2.43 -0.00 -1.26 0.15 115.22 117.58 2eei n HIS 69 Ca -0.09 1.16 0.03 0.00 0.46 0.00 0.00 57.72 59.29 2eei n HIS 69 Cb 0.52 -1.10 0.18 0.00 -0.12 0.00 0.00 29.99 29.48 2eei n HIS 69 CO 0.00 0.00 0.00 1.05 0.46 0.00 0.00 176.34 177.85 2eei h GLU 70 N 0.00 0.84 -0.60 1.57 4.11 -1.98 0.35 114.58 118.87 2eei h GLU 70 Ca 0.49 -0.05 -0.06 0.00 0.07 0.00 0.00 59.36 59.81 2eei h GLU 70 Cb 0.82 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.86 2eei h GLU 70 CO -0.96 0.55 0.13 0.93 0.07 0.00 0.00 179.01 179.73 2eei h GLU 71 N 0.86 0.94 0.10 1.06 4.39 0.10 -2.64 114.58 119.39 2eei h GLU 71 Ca 0.41 -0.21 -0.00 0.00 0.34 0.00 0.00 59.36 59.90 2eei h GLU 71 Cb 0.36 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 2eei h GLU 71 CO -0.24 0.85 -0.05 0.28 -1.16 0.00 0.00 179.01 178.69 2eei h VAL 72 N 0.90 0.00 -1.84 3.13 2.07 -0.08 -2.09 116.25 118.34 2eei h VAL 72 Ca 0.19 -0.36 0.55 0.00 0.82 0.00 0.00 66.70 67.90 2eei h VAL 72 Cb 0.34 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.02 2eei h VAL 72 CO 0.00 0.00 1.30 0.55 0.02 0.00 0.00 177.57 179.45 2eei n VAL 73 N -3.37 -0.05 0.04 2.57 3.14 0.11 0.14 118.33 120.91 2eei n VAL 73 Ca -0.02 1.54 -0.21 0.00 -2.96 0.00 0.00 64.34 62.70 2eei n VAL 73 Cb 0.05 -2.56 -0.14 0.00 -1.06 0.00 0.00 33.84 30.13 2eei n VAL 73 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 2eei h GLU 74 N 0.00 0.29 -0.07 1.45 5.08 -1.54 -3.20 114.58 116.59 2eei h GLU 74 Ca 0.92 -0.50 0.02 0.00 -1.00 0.00 0.00 59.36 58.80 2eei h GLU 74 Cb 3.56 0.19 -0.00 0.00 0.50 0.00 0.00 28.75 33.00 2eei h GLU 74 CO -0.11 1.24 0.09 0.87 -1.00 0.00 0.00 179.01 180.10 2eei h LYS 75 N -0.32 0.00 0.00 2.33 1.57 0.19 -1.08 116.57 119.25 2eei h LYS 75 Ca -0.20 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.55 2eei h LYS 75 Cb 1.71 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.02 2eei h LYS 75 CO 0.13 0.00 -0.10 0.28 -0.57 0.00 0.00 179.45 179.19 2eei h VAL 76 N 0.00 1.61 0.47 0.50 2.07 -1.24 -2.54 116.25 117.13 2eei h VAL 76 Ca 0.03 -1.93 -0.02 0.00 0.82 0.00 0.00 66.70 65.60 2eei h VAL 76 Cb 0.20 2.89 0.00 0.00 -1.52 0.00 0.00 31.29 32.87 2eei h VAL 76 CO -0.00 0.51 -0.23 0.11 0.02 0.00 0.00 177.57 177.98 2eei h LYS 77 N -0.70 -0.61 -0.72 1.57 1.57 -1.41 -3.05 116.57 113.22 2eei h LYS 77 Ca -0.01 0.04 0.10 0.00 -1.87 0.00 0.00 60.65 58.91 2eei h LYS 77 Cb 0.89 0.14 -0.08 0.00 0.08 0.00 0.00 32.23 33.26 2eei h LYS 77 CO 0.02 -0.35 0.35 0.87 -0.57 0.00 0.00 179.45 179.77 2eei h LYS 78 N -0.76 0.56 -0.71 3.15 1.57 -1.37 -2.01 116.57 117.01 2eei h LYS 78 Ca -0.06 -0.03 0.28 0.00 -1.87 0.00 0.00 60.65 58.96 2eei h LYS 78 Cb 0.54 -0.13 -0.13 0.00 0.08 0.00 0.00 32.23 32.60 2eei h LYS 78 CO 0.11 0.37 0.32 0.45 -0.57 0.00 0.00 179.45 180.12 2eei n SER 79 N -4.89 0.19 0.00 0.86 2.88 -0.96 -4.85 113.62 106.86 2eei n SER 79 Ca 0.12 1.18 0.00 0.00 -1.33 0.00 0.00 58.87 58.83 2eei n SER 79 Cb 0.30 -0.55 0.00 0.00 -0.75 0.00 0.00 64.21 63.21 2eei n SER 79 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2eei n GLY 80 N -1.21 1.12 0.00 0.46 0.00 -0.76 -4.79 105.19 100.01 2eei n GLY 80 Ca 0.25 -0.65 -0.00 0.00 0.00 0.00 0.00 46.02 45.62 2eei n GLY 80 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2eei n SER 81 N 0.00 4.21 -4.61 1.61 7.64 -1.26 -4.91 113.62 116.30 2eei n SER 81 Ca 0.00 -0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.59 2eei n SER 81 Cb 0.00 0.11 -0.09 0.00 -1.01 0.00 0.00 64.21 63.22 2eei n SER 81 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2eei s ARG 82 N -2.00 2.25 0.10 1.43 0.52 -1.26 -2.80 118.95 117.18 2eei s ARG 82 Ca -0.00 -1.02 -0.01 0.00 -0.52 0.00 0.00 55.73 54.18 2eei s ARG 82 Cb 0.00 -2.35 -0.04 0.00 0.52 0.00 0.00 34.95 33.08 2eei s ARG 82 CO 0.01 0.50 0.03 0.14 0.02 0.00 0.00 175.30 175.99 2eei s VAL 83 N -1.34 0.15 -0.28 3.52 -7.23 -0.91 -4.91 120.40 109.39 2eei s VAL 83 Ca 0.23 -1.87 0.03 0.00 -1.81 0.00 0.00 61.98 58.57 2eei s VAL 83 Cb -0.11 -1.85 0.07 0.00 0.56 0.00 0.00 36.38 35.05 2eei s VAL 83 CO 0.16 -0.66 -0.07 -0.32 -0.31 0.00 0.00 175.10 173.90 2eei s MET 84 N -4.00 2.00 -0.25 4.82 1.75 -1.26 -1.72 119.30 120.64 2eei s MET 84 Ca 0.18 -1.42 -0.10 0.00 -1.25 0.00 0.00 55.69 53.09 2eei s MET 84 Cb 0.08 -2.92 -0.05 0.00 2.84 0.00 0.00 34.83 34.78 2eei s MET 84 CO -0.03 -0.66 0.15 -0.06 -0.65 0.00 0.00 175.02 173.78 2eei s PHE 85 N 1.09 3.26 -0.27 4.11 0.08 0.59 -0.27 117.98 126.57 2eei s PHE 85 Ca -0.04 0.12 -0.01 0.00 0.12 0.00 0.00 56.93 57.12 2eei s PHE 85 Cb -0.20 -2.29 0.04 0.00 -0.57 0.00 0.00 43.02 40.00 2eei s PHE 85 CO -0.06 -0.04 -0.04 -1.17 -0.10 0.00 0.00 175.22 173.81 2eei s LEU 86 N 1.29 3.52 0.28 -0.37 2.96 -1.21 0.71 118.68 125.86 2eei s LEU 86 Ca 0.07 -1.09 0.02 0.00 -0.22 0.00 0.00 54.13 52.91 2eei s LEU 86 Cb -0.14 -1.68 -0.05 0.00 0.50 0.00 0.00 46.19 44.82 2eei s LEU 86 CO 0.06 -0.19 0.12 -0.76 -1.32 0.00 0.00 176.35 174.26 2eei s LEU 87 N 1.28 1.65 0.08 -0.68 1.02 -1.20 -0.99 118.68 119.84 2eei s LEU 87 Ca -0.03 -1.45 0.08 0.00 0.02 0.00 0.00 54.13 52.76 2eei s LEU 87 Cb -0.18 0.08 -0.04 0.00 0.02 0.00 0.00 46.19 46.07 2eei s LEU 87 CO -0.03 -0.79 -0.19 -0.69 0.02 0.00 0.00 176.35 174.67 2eei s VAL 88 N -3.70 2.72 0.18 -1.59 1.01 -1.26 -2.77 120.40 115.00 2eei s VAL 88 Ca 0.37 -1.38 -0.31 0.00 0.00 0.00 0.00 61.98 60.65 2eei s VAL 88 Cb 0.07 -2.19 -0.10 0.00 0.00 0.00 0.00 36.38 34.16 2eei s VAL 88 CO 0.15 0.22 1.58 -1.81 0.00 0.00 0.00 175.10 175.24 2eei s ASP 89 N -1.76 6.56 0.55 3.32 1.01 -1.26 -4.25 116.67 120.85 2eei s ASP 89 Ca 0.16 2.66 0.26 0.00 0.71 0.00 0.00 52.55 56.33 2eei s ASP 89 Cb -0.10 -2.60 1.47 0.00 1.01 0.00 0.00 42.92 42.70 2eei s ASP 89 CO 0.07 -0.84 2.02 0.07 0.21 0.00 0.00 175.17 176.71 2eei h LYS 90 N 6.66 0.00 0.00 8.23 -0.00 -1.86 0.41 116.57 130.01 2eei h LYS 90 Ca -0.43 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.22 2eei h LYS 90 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.43 2eei h LYS 90 CO 0.91 0.00 -0.44 1.05 -0.00 0.00 0.00 179.45 180.97 2eei h GLU 91 N 0.00 0.00 0.11 0.07 4.11 -1.98 -3.34 114.58 113.55 2eei h GLU 91 Ca 0.18 0.00 -0.29 0.00 0.07 0.00 0.00 59.36 59.32 2eei h GLU 91 Cb 0.81 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 2eei h GLU 91 CO -0.00 0.00 -1.49 1.15 0.07 0.00 0.00 179.01 178.74 2eei h THR 92 N 0.00 0.96 -2.86 -1.06 2.02 -0.68 -3.46 112.91 107.83 2eei h THR 92 Ca 0.00 -2.37 -0.53 0.00 0.77 0.00 0.00 66.41 64.27 2eei h THR 92 Cb 0.99 2.64 0.02 0.00 -1.74 0.00 0.00 68.15 70.06 2eei h THR 92 CO 0.00 0.70 0.85 -0.62 0.37 0.00 0.00 175.52 176.82 2eei s ASP 93 N -7.02 6.71 0.39 4.18 -1.08 0.25 -4.90 116.67 115.20 2eei s ASP 93 Ca -0.21 2.41 0.13 0.00 -0.52 0.00 0.00 52.55 54.35 2eei s ASP 93 Cb 0.05 -2.58 0.80 0.00 -1.46 0.00 0.00 42.92 39.73 2eei s ASP 93 CO 0.75 -0.77 1.88 0.50 0.52 0.00 0.00 175.17 178.06 2eei h LYS 94 N 7.34 0.03 -5.84 4.34 1.63 -1.89 -3.40 116.57 118.79 2eei h LYS 94 Ca -0.42 -0.01 -0.39 0.00 -0.85 0.00 0.00 60.65 58.98 2eei h LYS 94 Cb 1.20 -0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.79 2eei h LYS 94 CO 0.90 0.33 1.05 1.03 -3.45 0.00 0.00 179.45 179.31 2eei s ARG 95 N -4.38 2.57 0.27 1.90 1.81 -1.26 -4.89 118.95 114.97 2eei s ARG 95 Ca -0.03 0.20 -0.08 0.00 -1.72 0.00 0.00 55.73 54.10 2eei s ARG 95 Cb 0.15 -4.71 -0.01 0.00 -0.45 0.00 0.00 34.95 29.93 2eei s ARG 95 CO 0.72 -3.07 0.41 -1.58 -0.68 0.00 0.00 175.30 171.10 2eei s HIS 96 N 9.69 0.71 0.45 -0.53 2.46 -1.26 -5.09 115.29 121.73 2eei s HIS 96 Ca 0.69 -1.01 0.07 0.00 0.47 0.00 0.00 55.06 55.28 2eei s HIS 96 Cb -0.10 -0.03 -0.02 0.00 -0.13 0.00 0.00 32.58 32.30 2eei s HIS 96 CO 0.10 -0.97 0.28 0.14 -2.47 0.00 0.00 174.74 171.83 2eei s VAL 97 N -3.76 2.16 -0.02 0.89 -7.23 -1.26 -5.14 120.40 106.04 2eei s VAL 97 Ca 0.28 -1.57 0.07 0.00 -1.81 0.00 0.00 61.98 58.95 2eei s VAL 97 Cb 0.01 -2.73 -0.02 0.00 0.56 0.00 0.00 36.38 34.20 2eei s VAL 97 CO 0.13 0.00 -0.24 -1.83 -0.31 0.00 0.00 175.10 172.85 2eei s GLU 98 N -4.06 1.98 0.10 4.82 -1.05 -1.26 -5.12 118.70 114.10 2eei s GLU 98 Ca 0.39 -0.86 -0.26 0.00 -0.15 0.00 0.00 54.97 54.10 2eei s GLU 98 Cb 0.00 -1.89 -0.06 0.00 -0.44 0.00 0.00 34.13 31.74 2eei s GLU 98 CO 0.23 0.51 0.79 -1.14 0.95 0.00 0.00 175.26 176.59 2eei s GLN 99 N -0.54 4.54 0.29 -4.83 0.74 -1.26 -5.07 119.66 113.54 2eei s GLN 99 Ca 0.08 1.14 0.06 0.00 0.05 0.00 0.00 55.36 56.70 2eei s GLN 99 Cb -0.09 -3.33 -0.02 0.00 1.10 0.00 0.00 33.01 30.66 2eei s GLN 99 CO -0.01 0.38 0.34 0.21 -0.55 0.00 0.00 175.29 175.67 2eei s LYS 100 N -0.45 3.10 0.19 1.67 2.20 -1.26 -5.13 119.74 120.06 2eei s LYS 100 Ca 0.38 -1.00 -0.07 0.00 -0.36 0.00 0.00 55.97 54.93 2eei s LYS 100 Cb -0.22 -2.72 -0.02 0.00 -1.51 0.00 0.00 37.83 33.36 2eei s LYS 100 CO 0.25 0.25 0.26 0.45 -0.36 0.00 0.00 175.35 176.20 2eei s SER 101 N -4.01 0.07 0.19 1.43 0.15 -1.26 -5.18 113.70 105.10 2eei s SER 101 Ca 0.38 -1.08 0.11 0.00 0.70 0.00 0.00 55.95 56.06 2eei s SER 101 Cb -0.08 0.44 -0.04 0.00 -1.71 0.00 0.00 66.02 64.62 2eei s SER 101 CO 0.28 -0.92 -0.22 -0.83 1.20 0.00 0.00 173.24 172.75 2eei s GLY 102 N -3.05 1.72 0.45 9.45 0.00 -1.26 -5.12 107.32 109.51 2eei s GLY 102 Ca 0.26 -1.63 -0.23 0.00 0.00 0.00 0.00 44.72 43.12 2eei s GLY 102 CO 0.06 -1.65 1.17 2.56 0.00 0.00 0.00 173.10 175.23 2eei s PRO 103 N -2.71 3.78 -0.13 2.90 0.04 -1.26 -5.00 135.00 132.62 2eei s PRO 103 Ca 0.21 1.79 -0.08 0.00 0.04 0.00 0.00 61.00 62.97 2eei s PRO 103 Cb -0.08 -2.43 -0.03 0.00 0.04 0.00 0.00 34.50 31.99 2eei s PRO 103 CO 0.11 -0.54 -0.09 1.03 0.04 0.00 0.00 177.00 177.55 2eei h SER 104 N 2.10 0.00 -2.54 6.66 0.87 -2.09 -3.44 113.55 115.11 2eei h SER 104 Ca -0.49 -0.04 -0.56 0.00 -1.23 0.00 0.00 61.79 59.47 2eei h SER 104 Cb 1.25 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.19 2eei h SER 104 CO 0.60 0.72 1.21 -0.55 -0.53 0.00 0.00 176.83 178.29 2eei s SER 105 N -5.74 6.25 0.00 6.23 0.15 -1.26 -5.38 113.70 113.95 2eei s SER 105 Ca -0.11 1.92 0.20 0.00 0.70 0.00 0.00 55.95 58.66 2eei s SER 105 Cb 0.02 -2.53 0.16 0.00 -1.71 0.00 0.00 66.02 61.96 2eei s SER 105 CO 0.18 -1.32 1.15 0.61 1.20 0.00 0.00 173.24 175.06