#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 6.89 0.22 1.61 1.04 -1.26 -5.07 113.70 117.13 2eei s SER 2 Ca 0.00 1.66 0.06 0.00 0.48 0.00 0.00 55.95 58.15 2eei s SER 2 Cb 0.00 -2.53 -0.04 0.00 0.10 0.00 0.00 66.02 63.56 2eei s SER 2 CO 0.00 -0.38 0.17 -0.94 0.98 0.00 0.00 173.24 173.07 2eei s SER 3 N -2.30 5.50 0.00 7.02 1.04 -1.26 -5.12 113.70 118.59 2eei s SER 3 Ca 0.61 -0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.83 2eei s SER 3 Cb -0.09 -1.41 0.00 0.00 0.10 0.00 0.00 66.02 64.62 2eei s SER 3 CO 0.15 -0.00 0.00 0.61 0.98 0.00 0.00 173.24 174.98 2eei n GLY 4 N -0.89 1.77 3.29 7.32 0.00 -1.26 -5.19 105.19 110.23 2eei n GLY 4 Ca -0.08 -0.05 -0.24 0.00 0.00 0.00 0.00 46.02 45.65 2eei n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2eei n SER 5 N 0.00 1.06 -0.06 1.61 3.41 -1.26 -5.11 113.62 113.28 2eei n SER 5 Ca 0.00 -3.14 -0.05 0.00 -0.26 0.00 0.00 58.87 55.42 2eei n SER 5 Cb 0.00 1.07 -0.02 0.00 -0.26 0.00 0.00 64.21 65.00 2eei n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2eei n SER 6 N -1.55 1.30 0.00 4.04 7.64 -1.26 -5.07 113.62 118.72 2eei n SER 6 Ca -0.05 0.36 0.00 0.00 1.01 0.00 0.00 58.87 60.19 2eei n SER 6 Cb 0.60 -0.71 0.00 0.00 -1.01 0.00 0.00 64.21 63.09 2eei n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2eei n GLY 7 N 1.56 0.92 0.43 0.23 0.00 -1.26 -5.04 105.19 102.02 2eei n GLY 7 Ca -0.07 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.82 2eei n GLY 7 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2eei h GLN 8 N 0.00 -0.46 0.00 1.61 4.15 -2.03 -3.42 115.11 114.96 2eei h GLN 8 Ca 0.00 0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.45 2eei h GLN 8 Cb 0.00 0.10 0.00 0.00 0.21 0.00 0.00 27.48 27.79 2eei h GLN 8 CO 0.00 -0.31 0.00 -0.35 -1.93 0.00 0.00 178.83 176.24 2eei n PRO 9 N -5.43 -0.79 -5.20 -2.39 -0.04 -1.26 -5.06 135.00 114.83 2eei n PRO 9 Ca -0.04 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.11 2eei n PRO 9 Cb 0.36 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.66 2eei n PRO 9 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2eei s ARG 10 N -2.67 2.86 -0.34 0.54 0.52 -1.22 -5.08 118.95 113.57 2eei s ARG 10 Ca 0.00 -0.86 -0.25 0.00 -0.52 0.00 0.00 55.73 54.09 2eei s ARG 10 Cb 0.00 -2.22 0.01 0.00 0.52 0.00 0.00 34.95 33.26 2eei s ARG 10 CO 0.00 0.23 0.90 -1.17 0.02 0.00 0.00 175.30 175.27 2eei s LEU 11 N 0.22 4.03 -0.57 2.53 1.98 -1.26 -3.65 118.68 121.96 2eei s LEU 11 Ca -0.15 0.69 -0.13 0.00 -2.89 0.00 0.00 54.13 51.65 2eei s LEU 11 Cb -0.17 -3.23 0.14 0.00 0.66 0.00 0.00 46.19 43.59 2eei s LEU 11 CO 0.07 -0.77 0.49 0.00 -1.89 0.00 0.00 176.35 174.26 2eei s TYR 13 N 1.20 2.64 0.07 0.00 5.04 -1.26 -0.26 117.35 124.78 2eei s TYR 13 Ca 0.07 -0.13 -0.19 0.00 -2.44 0.00 0.00 57.07 54.38 2eei s TYR 13 Cb -0.25 -4.29 -0.07 0.00 0.35 0.00 0.00 41.96 37.70 2eei s TYR 13 CO -0.00 -1.60 0.56 -0.51 -1.34 0.00 0.00 175.55 172.65 2eei s LEU 14 N 4.43 4.53 0.01 6.97 2.01 0.30 -4.71 118.68 132.21 2eei s LEU 14 Ca 0.30 1.24 0.05 0.00 0.01 0.00 0.00 54.13 55.74 2eei s LEU 14 Cb -0.12 -2.87 -0.02 0.00 0.01 0.00 0.00 46.19 43.18 2eei s LEU 14 CO 0.16 0.28 -0.16 -0.69 1.01 0.00 0.00 176.35 176.95 2eei s VAL 15 N -1.11 1.29 -0.58 -1.59 1.01 -1.26 -0.52 120.40 117.63 2eei s VAL 15 Ca 0.29 -0.87 -0.27 0.00 0.00 0.00 0.00 61.98 61.12 2eei s VAL 15 Cb -0.19 -1.11 0.01 0.00 0.00 0.00 0.00 36.38 35.08 2eei s VAL 15 CO 0.19 0.23 1.49 -0.54 0.00 0.00 0.00 175.10 176.47 2eei s LYS 16 N -0.74 3.17 -0.03 2.72 1.02 -0.93 -4.73 119.74 120.22 2eei s LYS 16 Ca 0.05 0.43 0.01 0.00 0.02 0.00 0.00 55.97 56.48 2eei s LYS 16 Cb -0.07 -4.18 -0.02 0.00 -0.52 0.00 0.00 37.83 33.04 2eei s LYS 16 CO 0.00 -2.11 -0.02 0.39 -0.92 0.00 0.00 175.35 172.70 2eei n GLU 17 N 8.85 0.77 -4.31 1.68 -0.58 -1.26 -5.01 120.64 120.77 2eei n GLU 17 Ca 0.13 0.01 -0.29 0.00 -0.42 0.00 0.00 57.16 56.60 2eei n GLU 17 Cb 0.50 -1.06 -0.05 0.00 -0.57 0.00 0.00 31.44 30.26 2eei n GLU 17 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 2eei s GLY 18 N -4.09 2.64 0.38 0.62 0.00 -1.26 -4.97 107.32 100.64 2eei s GLY 18 Ca -0.03 -1.10 0.32 0.00 0.00 0.00 0.00 44.72 43.91 2eei s GLY 18 CO 0.07 -2.05 1.17 0.61 0.00 0.00 0.00 173.10 172.90 2eei n GLY 19 N -1.43 -0.69 3.55 0.20 0.00 -1.26 -4.51 105.19 101.04 2eei n GLY 19 Ca -0.09 0.54 -0.09 0.00 0.00 0.00 0.00 46.02 46.38 2eei n GLY 19 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2eei s SER 20 N -4.09 -0.41 1.12 1.61 0.01 -1.26 -5.17 113.70 105.51 2eei s SER 20 Ca -0.04 -0.13 -0.17 0.00 1.31 0.00 0.00 55.95 56.91 2eei s SER 20 Cb 0.21 0.53 0.16 0.00 0.21 0.00 0.00 66.02 67.14 2eei s SER 20 CO 0.65 -0.89 0.22 -1.22 0.41 0.00 0.00 173.24 172.40 2eei n TYR 21 N -0.36 -2.00 -1.48 2.43 4.01 -1.26 -4.85 117.16 113.65 2eei n TYR 21 Ca -0.11 -0.02 -0.26 0.00 -0.16 0.00 0.00 57.90 57.35 2eei n TYR 21 Cb 0.63 -1.47 0.10 0.00 -0.31 0.00 0.00 39.34 38.29 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 2.16 5.59 3.26 2.72 0.00 -1.26 -4.90 105.19 112.76 2eei n GLY 22 Ca 0.04 -1.99 -0.09 0.00 0.00 0.00 0.00 46.02 43.97 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 -3.59 0.37 0.20 1.61 -0.12 -1.26 -1.20 117.98 113.99 2eei s PHE 23 Ca 0.57 -0.77 0.07 0.00 -0.05 0.00 0.00 56.93 56.75 2eei s PHE 23 Cb 0.47 -0.12 -0.05 0.00 -0.63 0.00 0.00 43.02 42.69 2eei s PHE 23 CO 0.02 -0.62 -0.12 -1.12 -0.05 0.00 0.00 175.22 173.33 2eei s SER 24 N -2.94 2.35 -0.02 1.98 0.01 -0.10 -4.96 113.70 110.02 2eei s SER 24 Ca 0.13 -1.04 0.02 0.00 1.31 0.00 0.00 55.95 56.38 2eei s SER 24 Cb 0.05 -0.10 0.00 0.00 0.21 0.00 0.00 66.02 66.18 2eei s SER 24 CO -0.04 -0.24 -0.09 -0.76 0.41 0.00 0.00 173.24 172.52 2eei s LEU 25 N -3.29 1.83 -0.12 2.44 1.43 -1.26 -2.92 118.68 116.79 2eei s LEU 25 Ca 0.22 -0.18 -0.18 0.00 -1.03 0.00 0.00 54.13 52.97 2eei s LEU 25 Cb 0.01 -0.52 0.04 0.00 0.03 0.00 0.00 46.19 45.75 2eei s LEU 25 CO 0.06 0.07 0.45 -1.59 0.23 0.00 0.00 176.35 175.57 2eei s LYS 26 N 0.12 0.64 -0.21 1.70 -2.85 -1.25 -5.01 119.74 112.88 2eei s LYS 26 Ca -0.02 0.38 -0.10 0.00 -1.00 0.00 0.00 55.97 55.23 2eei s LYS 26 Cb -0.07 0.30 -0.05 0.00 -2.06 0.00 0.00 37.83 35.95 2eei s LYS 26 CO 0.00 -0.13 0.13 0.95 0.10 0.00 0.00 175.35 176.41 2eei s THR 27 N -0.35 5.34 -0.26 3.79 -4.23 -1.26 -3.98 115.64 114.69 2eei s THR 27 Ca -0.05 0.17 -0.16 0.00 -1.18 0.00 0.00 61.69 60.47 2eei s THR 27 Cb -0.03 -3.45 -0.03 0.00 1.34 0.00 0.00 72.50 70.32 2eei s THR 27 CO 0.03 0.41 0.42 -0.69 -0.54 0.00 0.00 174.62 174.25 2eei s VAL 28 N 0.61 5.14 -0.29 2.29 1.01 -1.26 -5.00 120.40 122.90 2eei s VAL 28 Ca 0.07 0.69 -0.37 0.00 0.00 0.00 0.00 61.98 62.38 2eei s VAL 28 Cb -0.12 -3.74 -0.13 0.00 0.00 0.00 0.00 36.38 32.39 2eei s VAL 28 CO 0.00 0.14 2.00 1.67 0.00 0.00 0.00 175.10 178.92 2eei n GLN 29 N 5.30 1.27 0.00 2.72 -0.06 -1.26 -1.65 117.38 123.69 2eei n GLN 29 Ca -0.07 0.41 0.00 0.00 -2.00 0.00 0.00 57.00 55.34 2eei n GLN 29 Cb 0.50 -2.36 0.00 0.00 -4.06 0.00 0.00 30.24 24.32 2eei n GLN 29 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2eei n GLY 30 N 5.49 3.45 2.49 1.69 0.00 -1.26 -5.09 105.19 111.96 2eei n GLY 30 Ca 0.34 -0.98 -0.21 0.00 0.00 0.00 0.00 46.02 45.16 2eei n GLY 30 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2eei n LYS 31 N 0.00 -2.70 -3.92 1.61 5.02 -0.66 -5.06 118.16 112.46 2eei n LYS 31 Ca 0.00 -1.23 -0.27 0.00 -2.02 0.00 0.00 58.31 54.79 2eei n LYS 31 Cb 0.00 -1.19 -0.17 0.00 -0.02 0.00 0.00 35.03 33.65 2eei n LYS 31 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2eei s LYS 32 N -4.75 1.59 0.11 1.97 -0.14 -1.26 -4.91 119.74 112.35 2eei s LYS 32 Ca 0.51 -0.29 0.00 0.00 -1.36 0.00 0.00 55.97 54.83 2eei s LYS 32 Cb -0.05 -1.65 0.00 0.00 -1.68 0.00 0.00 37.83 34.45 2eei s LYS 32 CO 0.39 -0.27 0.00 0.41 -0.76 0.00 0.00 175.35 175.12 2eei n GLY 33 N 4.93 -2.77 3.59 -3.33 0.00 -1.26 -4.72 105.19 101.62 2eei n GLY 33 Ca -0.13 -1.96 -0.25 0.00 0.00 0.00 0.00 46.02 43.68 2eei n GLY 33 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2eei s VAL 34 N -0.46 2.52 -0.04 1.61 0.11 -1.24 -4.61 120.40 118.30 2eei s VAL 34 Ca 0.00 -2.09 -0.26 0.00 -2.93 0.00 0.00 61.98 56.70 2eei s VAL 34 Cb 0.00 -2.70 0.06 0.00 -1.53 0.00 0.00 36.38 32.21 2eei s VAL 34 CO 0.00 -0.23 0.57 -0.72 -3.33 0.00 0.00 175.10 171.39 2eei s TYR 35 N -2.54 -0.52 0.18 1.54 -0.85 -1.26 -2.35 117.35 111.56 2eei s TYR 35 Ca 0.33 0.87 -0.32 0.00 -0.52 0.00 0.00 57.07 57.44 2eei s TYR 35 Cb 0.00 0.32 -0.11 0.00 0.38 0.00 0.00 41.96 42.55 2eei s TYR 35 CO 0.18 -0.55 1.71 -1.64 -1.52 0.00 0.00 175.55 173.73 2eei s MET 36 N -1.26 4.15 -0.03 -3.49 -1.94 -1.06 -3.89 119.30 111.78 2eei s MET 36 Ca -0.12 2.55 -0.00 0.00 -1.71 0.00 0.00 55.69 56.41 2eei s MET 36 Cb -0.01 -3.21 -0.02 0.00 2.01 0.00 0.00 34.83 33.60 2eei s MET 36 CO 0.08 -0.74 -0.03 -2.37 -0.01 0.00 0.00 175.02 171.95 2eei n THR 37 N 4.16 0.16 -3.84 2.05 5.66 -1.15 0.24 114.28 121.56 2eei n THR 37 Ca 0.16 -0.06 -0.36 0.00 -3.05 0.00 0.00 64.05 60.74 2eei n THR 37 Cb 0.37 -0.89 -0.13 0.00 -1.55 0.00 0.00 70.33 68.12 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 -4.59 4.92 -0.47 1.09 -1.08 -1.26 -4.35 116.67 110.92 2eei s ASP 38 Ca -0.04 -0.96 -0.05 0.00 -0.52 0.00 0.00 52.55 50.98 2eei s ASP 38 Cb 0.01 -1.79 0.12 0.00 -1.46 0.00 0.00 42.92 39.81 2eei s ASP 38 CO 0.06 -0.22 0.30 -0.63 0.52 0.00 0.00 175.17 175.20 2eei s ILE 39 N 1.38 3.69 0.01 4.11 -1.09 -1.26 -0.92 121.20 127.12 2eei s ILE 39 Ca -0.01 -2.14 -0.36 0.00 -2.23 0.00 0.00 60.65 55.91 2eei s ILE 39 Cb -0.18 -3.47 -0.15 0.00 -1.58 0.00 0.00 42.46 37.09 2eei s ILE 39 CO 0.00 -0.76 1.59 0.41 -1.23 0.00 0.00 174.94 174.96 2eei n THR 40 N 4.48 0.17 -2.22 2.92 -1.04 -0.34 -4.89 114.28 113.35 2eei n THR 40 Ca -0.02 -0.03 -0.41 0.00 -2.04 0.00 0.00 64.05 61.55 2eei n THR 40 Cb 0.41 -1.33 -0.03 0.00 -1.82 0.00 0.00 70.33 67.56 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 1.86 4.38 -1.38 -2.82 0.04 -1.26 -3.09 135.00 132.73 2eei s PRO 41 Ca 0.87 2.04 -0.09 0.00 0.04 0.00 0.00 61.00 63.86 2eei s PRO 41 Cb -0.84 -3.21 0.01 0.00 0.04 0.00 0.00 34.50 30.51 2eei s PRO 41 CO 0.48 -0.27 1.13 1.04 0.04 0.00 0.00 177.00 179.43 2eei n GLN 42 N 2.84 -7.66 0.00 4.56 6.02 -1.26 -4.99 117.38 116.89 2eei n GLN 42 Ca 0.07 0.83 0.00 0.00 -0.01 0.00 0.00 57.00 57.89 2eei n GLN 42 Cb 0.43 -5.87 0.00 0.00 1.02 0.00 0.00 30.24 25.82 2eei n GLN 42 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2eei n GLY 43 N -1.97 5.54 0.24 1.08 0.00 -1.18 -4.96 105.19 103.95 2eei n GLY 43 Ca 0.00 -1.95 -0.15 0.00 0.00 0.00 0.00 46.02 43.92 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 0.00 1.28 0.23 1.61 2.07 -1.86 -2.88 116.25 116.70 2eei h VAL 44 Ca 0.00 -1.76 -0.01 0.00 0.82 0.00 0.00 66.70 65.75 2eei h VAL 44 Cb 0.00 1.67 0.00 0.00 -1.52 0.00 0.00 31.29 31.44 2eei h VAL 44 CO 0.00 0.57 -0.11 0.00 0.02 0.00 0.00 177.57 178.05 2eei h ALA 45 N 0.69 -0.31 -0.28 1.67 0.00 -1.85 -2.74 119.26 116.43 2eei h ALA 45 Ca 0.01 -0.11 0.08 0.00 0.00 0.00 0.00 54.91 54.89 2eei h ALA 45 Cb 1.18 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 2eei h ALA 45 CO 0.13 -0.30 0.63 1.98 0.00 0.00 0.00 179.25 181.68 2eei h MET 46 N -1.06 0.00 0.18 0.00 -1.53 -1.69 0.40 114.93 111.22 2eei h MET 46 Ca -0.03 0.00 -0.29 0.00 -3.44 0.00 0.00 59.70 55.94 2eei h MET 46 Cb 0.32 0.00 0.02 0.00 -0.55 0.00 0.00 31.60 31.38 2eei h MET 46 CO 0.05 0.00 -1.39 -0.09 0.14 0.00 0.00 176.91 175.63 2eei h ARG 47 N 0.00 0.38 0.00 0.39 1.12 -1.52 -3.31 114.38 111.44 2eei h ARG 47 Ca 0.13 -0.64 -0.03 0.00 -1.11 0.00 0.00 59.98 58.33 2eei h ARG 47 Cb 1.38 0.24 -0.00 0.00 -0.01 0.00 0.00 29.97 31.58 2eei h ARG 47 CO -0.00 1.31 -0.14 0.00 -3.11 0.00 0.00 179.97 178.03 2eei h ALA 48 N 0.07 1.29 0.00 2.80 0.00 0.07 -3.46 119.26 120.04 2eei h ALA 48 Ca -0.27 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2eei h ALA 48 Cb 1.93 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.70 2eei h ALA 48 CO 0.17 0.17 0.00 0.41 0.00 0.00 0.00 179.25 180.00 2eei n GLY 49 N -0.64 1.18 3.47 0.00 0.00 -0.66 -4.63 105.19 103.91 2eei n GLY 49 Ca -0.02 0.00 -0.34 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 3.83 0.30 1.61 0.11 -1.18 -4.89 120.40 118.19 2eei s VAL 50 Ca 0.00 -0.37 0.05 0.00 -2.93 0.00 0.00 61.98 58.73 2eei s VAL 50 Cb 0.00 -2.69 -0.02 0.00 -1.53 0.00 0.00 36.38 32.13 2eei s VAL 50 CO 0.00 0.47 0.44 -0.76 -3.33 0.00 0.00 175.10 171.92 2eei s LEU 51 N 0.61 4.11 0.00 2.54 1.43 -1.26 -4.42 118.68 121.68 2eei s LEU 51 Ca -0.02 0.02 -0.12 0.00 -1.03 0.00 0.00 54.13 52.98 2eei s LEU 51 Cb -0.14 -2.88 0.18 0.00 0.03 0.00 0.00 46.19 43.37 2eei s LEU 51 CO 0.02 -0.27 0.73 0.00 0.23 0.00 0.00 176.35 177.06 2eei n ALA 52 N -1.58 -1.82 -2.65 4.21 0.00 -1.26 -3.80 120.51 113.61 2eei n ALA 52 Ca -0.04 -1.04 -0.05 0.00 0.00 0.00 0.00 53.44 52.30 2eei n ALA 52 Cb 0.57 -0.07 -0.01 0.00 0.00 0.00 0.00 19.45 19.95 2eei n ALA 52 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2eei n ASP 53 N -4.00 -1.05 -4.46 0.00 5.68 0.65 -4.63 116.55 108.74 2eei n ASP 53 Ca 0.10 0.26 -0.43 0.00 -0.50 0.00 0.00 54.79 54.21 2eei n ASP 53 Cb 0.37 -1.02 -0.08 0.00 -1.14 0.00 0.00 41.12 39.25 2eei n ASP 53 CO 0.00 0.00 0.00 -1.81 -1.33 0.00 0.00 177.20 174.06 2eei s ASP 54 N -2.05 6.20 -0.38 -1.12 1.11 -1.03 -4.42 116.67 114.99 2eei s ASP 54 Ca 0.10 -0.80 -0.33 0.00 0.18 0.00 0.00 52.55 51.69 2eei s ASP 54 Cb -0.06 -2.24 -0.11 0.00 1.07 0.00 0.00 42.92 41.58 2eei s ASP 54 CO 0.13 -0.68 2.24 1.57 1.18 0.00 0.00 175.17 179.60 2eei n HIS 55 N 5.72 1.57 -1.68 4.23 -0.00 -1.26 -2.56 115.22 121.25 2eei n HIS 55 Ca -0.07 0.22 -0.45 0.00 0.46 0.00 0.00 57.72 57.88 2eei n HIS 55 Cb 0.46 -2.55 -0.04 0.00 -0.12 0.00 0.00 29.99 27.74 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 10.57 3.39 -0.13 0.27 7.94 -0.99 -4.01 117.00 134.03 2eei n LEU 56 Ca 0.41 1.07 -0.28 0.00 -1.11 0.00 0.00 56.01 56.09 2eei n LEU 56 Cb 0.27 -1.47 -0.10 0.00 0.53 0.00 0.00 43.42 42.65 2eei n LEU 56 CO 0.75 -0.13 -1.26 -0.38 -1.11 0.00 0.00 177.39 175.26 2eei n ILE 57 N 3.71 1.53 -3.83 1.96 2.08 0.40 -4.31 119.36 120.91 2eei n ILE 57 Ca 0.17 -0.31 -0.07 0.00 0.56 0.00 0.00 62.75 63.10 2eei n ILE 57 Cb 0.31 -1.91 0.01 0.00 -0.75 0.00 0.00 39.64 37.30 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 -2.48 1.94 -0.12 0.38 -1.05 -1.19 -1.79 118.70 114.38 2eei s GLU 58 Ca -0.37 -1.21 -0.05 0.00 -0.15 0.00 0.00 54.97 53.20 2eei s GLU 58 Cb 0.13 0.57 0.06 0.00 -0.44 0.00 0.00 34.13 34.45 2eei s GLU 58 CO 0.51 -0.90 0.25 0.08 0.95 0.00 0.00 175.26 176.15 2eei s VAL 59 N -2.63 -0.35 -1.82 1.83 1.01 -0.94 -2.76 120.40 114.74 2eei s VAL 59 Ca 0.16 0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.41 2eei s VAL 59 Cb -0.05 -0.41 0.00 0.00 0.00 0.00 0.00 36.38 35.92 2eei s VAL 59 CO 0.09 0.12 0.00 0.59 0.00 0.00 0.00 175.10 175.90 2eei n ASN 60 N 5.20 -5.49 -0.56 3.32 3.02 0.75 -2.53 115.26 118.99 2eei n ASN 60 Ca -0.08 0.18 0.00 0.00 -0.03 0.00 0.00 54.58 54.65 2eei n ASN 60 Cb 0.50 -4.59 0.00 0.00 -0.61 0.00 0.00 39.78 35.08 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 -0.85 0.78 2.63 7.41 0.00 -1.26 -4.97 105.19 108.93 2eei n GLY 61 Ca -0.22 -0.50 -0.25 0.00 0.00 0.00 0.00 46.02 45.06 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 -3.72 0.13 -0.59 1.61 8.01 -1.05 -5.09 118.70 118.00 2eei s GLU 62 Ca 0.00 -0.14 -0.28 0.00 0.01 0.00 0.00 54.97 54.56 2eei s GLU 62 Cb 0.00 -1.50 -0.11 0.00 -4.31 0.00 0.00 34.13 28.21 2eei s GLU 62 CO 0.00 -0.77 2.46 0.09 0.01 0.00 0.00 175.26 177.05 2eei n ASN 63 N 5.28 1.84 -0.88 -0.19 4.13 -1.26 -2.21 115.26 121.97 2eei n ASN 63 Ca -0.06 -0.23 0.08 0.00 1.68 0.00 0.00 54.58 56.05 2eei n ASN 63 Cb 0.47 -1.39 0.24 0.00 -1.54 0.00 0.00 39.78 37.56 2eei n ASN 63 CO 0.00 0.00 0.00 1.33 0.28 0.00 0.00 177.26 178.87 2eei n VAL 64 N 7.80 1.88 -0.31 2.41 0.24 -0.74 -4.70 118.33 124.91 2eei n VAL 64 Ca 0.44 -1.56 0.15 0.00 -2.04 0.00 0.00 64.34 61.34 2eei n VAL 64 Cb 0.39 -0.00 0.32 0.00 -1.47 0.00 0.00 33.84 33.07 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 2.05 0.12 -1.13 7.34 5.08 -1.62 0.27 114.58 126.70 2eei h GLU 65 Ca 0.00 -0.01 -0.63 0.00 -1.00 0.00 0.00 59.36 57.72 2eei h GLU 65 Cb 1.24 -0.03 -0.36 0.00 0.50 0.00 0.00 28.75 30.10 2eei h GLU 65 CO 0.16 0.08 -0.01 -0.40 -1.00 0.00 0.00 179.01 177.85 2eei n ASP 66 N -5.31 6.14 -4.53 1.42 5.75 -1.26 -4.00 116.55 114.76 2eei n ASP 66 Ca 0.23 -3.77 -0.33 0.00 -0.01 0.00 0.00 54.79 50.92 2eei n ASP 66 Cb 0.76 -0.66 -0.12 0.00 -1.03 0.00 0.00 41.12 40.07 2eei n ASP 66 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2eei s ALA 67 N -3.73 2.83 0.68 2.12 0.00 0.94 -4.82 121.76 119.78 2eei s ALA 67 Ca 0.55 -0.99 -0.12 0.00 0.00 0.00 0.00 51.96 51.40 2eei s ALA 67 Cb 0.44 -1.05 0.00 0.00 0.00 0.00 0.00 23.12 22.52 2eei s ALA 67 CO -0.08 0.58 1.07 0.45 0.00 0.00 0.00 175.76 177.78 2eei s SER 68 N -1.02 5.33 0.56 0.00 0.15 -1.26 -3.60 113.70 113.86 2eei s SER 68 Ca 0.14 1.71 0.26 0.00 0.70 0.00 0.00 55.95 58.76 2eei s SER 68 Cb -0.11 -2.51 1.52 0.00 -1.71 0.00 0.00 66.02 63.21 2eei s SER 68 CO 0.03 -1.48 2.06 -0.74 1.20 0.00 0.00 173.24 174.31 2eei h HIS 69 N -0.48 0.00 -0.05 3.44 2.76 -1.98 0.93 115.15 119.77 2eei h HIS 69 Ca -0.45 0.00 -0.14 0.00 -2.20 0.00 0.00 60.37 57.58 2eei h HIS 69 Cb 1.22 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.16 2eei h HIS 69 CO 0.60 0.00 -0.61 0.93 -1.30 0.00 0.00 177.93 177.55 2eei h GLU 70 N 0.00 0.17 -0.10 5.26 3.07 -1.99 -1.15 114.58 119.83 2eei h GLU 70 Ca 0.13 -0.12 -0.20 0.00 -0.50 0.00 0.00 59.36 58.68 2eei h GLU 70 Cb 0.64 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.57 2eei h GLU 70 CO -0.00 0.73 -0.75 0.93 -1.40 0.00 0.00 179.01 178.52 2eei h GLU 71 N 0.13 0.53 0.21 2.33 3.07 -1.18 -3.24 114.58 116.44 2eei h GLU 71 Ca -0.01 -0.43 -0.01 0.00 -0.50 0.00 0.00 59.36 58.41 2eei h GLU 71 Cb 1.11 0.09 0.00 0.00 -0.84 0.00 0.00 28.75 29.11 2eei h GLU 71 CO 0.09 1.06 -0.10 0.28 -1.40 0.00 0.00 179.01 178.94 2eei h VAL 72 N 0.36 0.00 -1.29 3.13 2.07 -1.40 -2.82 116.25 116.30 2eei h VAL 72 Ca -0.04 -0.76 0.43 0.00 0.82 0.00 0.00 66.70 67.15 2eei h VAL 72 Cb 1.34 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 31.00 2eei h VAL 72 CO 0.14 0.00 0.85 0.55 0.02 0.00 0.00 177.57 179.13 2eei n VAL 73 N -4.88 -0.17 -0.04 2.57 3.14 -0.44 0.13 118.33 118.63 2eei n VAL 73 Ca -0.04 1.49 -0.15 0.00 -2.96 0.00 0.00 64.34 62.69 2eei n VAL 73 Cb 0.11 -2.46 -0.13 0.00 -1.06 0.00 0.00 33.84 30.31 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 0.09 -0.57 1.45 5.08 -1.62 -3.04 114.58 115.97 2eei h GLU 74 Ca 0.77 -0.12 0.14 0.00 -1.00 0.00 0.00 59.36 59.15 2eei h GLU 74 Cb 2.60 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 31.86 2eei h GLU 74 CO -0.32 0.97 0.40 0.87 -1.00 0.00 0.00 179.01 179.93 2eei h LYS 75 N -0.74 0.11 0.42 2.33 1.57 0.13 -0.70 116.57 119.68 2eei h LYS 75 Ca -0.03 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 2eei h LYS 75 Cb 1.05 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.34 2eei h LYS 75 CO 0.03 0.08 -0.20 0.28 -0.57 0.00 0.00 179.45 179.07 2eei h VAL 76 N 0.12 0.00 -0.34 0.50 2.07 -1.11 -2.10 116.25 115.39 2eei h VAL 76 Ca 0.27 -0.53 0.07 0.00 0.82 0.00 0.00 66.70 67.33 2eei h VAL 76 Cb 0.91 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.61 2eei h VAL 76 CO -0.03 0.00 -0.17 0.11 0.02 0.00 0.00 177.57 177.50 2eei h LYS 77 N -1.09 -0.12 -0.66 1.57 1.57 -1.35 -1.40 116.57 115.09 2eei h LYS 77 Ca -0.06 0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.80 2eei h LYS 77 Cb 0.43 0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.70 2eei h LYS 77 CO 0.09 -0.08 0.34 0.87 -0.57 0.00 0.00 179.45 180.11 2eei h LYS 78 N -0.12 0.59 -0.71 3.15 1.57 -1.25 -2.37 116.57 117.44 2eei h LYS 78 Ca 0.17 -0.04 0.23 0.00 -1.87 0.00 0.00 60.65 59.15 2eei h LYS 78 Cb 0.38 -0.13 -0.13 0.00 0.08 0.00 0.00 32.23 32.43 2eei h LYS 78 CO -0.41 0.39 0.15 0.45 -0.57 0.00 0.00 179.45 179.46 2eei n SER 79 N -4.84 0.04 0.00 0.86 2.88 -0.53 -4.86 113.62 107.17 2eei n SER 79 Ca 0.09 1.19 0.00 0.00 -1.33 0.00 0.00 58.87 58.82 2eei n SER 79 Cb 0.21 -0.49 0.00 0.00 -0.75 0.00 0.00 64.21 63.18 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 -1.29 1.23 0.13 0.46 0.00 -0.89 -4.76 105.19 100.08 2eei n GLY 80 Ca 0.21 -0.80 -0.09 0.00 0.00 0.00 0.00 46.02 45.34 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 2.77 -4.71 1.61 7.64 -1.26 -4.92 113.62 114.74 2eei n SER 81 Ca 0.00 -0.03 -0.26 0.00 1.01 0.00 0.00 58.87 59.58 2eei n SER 81 Cb 0.00 -0.22 -0.07 0.00 -1.01 0.00 0.00 64.21 62.91 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 -2.24 2.59 0.05 1.43 0.52 -1.26 -2.18 118.95 117.85 2eei s ARG 82 Ca -0.17 -1.03 -0.04 0.00 -0.52 0.00 0.00 55.73 53.97 2eei s ARG 82 Cb 0.05 -2.46 -0.02 0.00 0.52 0.00 0.00 34.95 33.04 2eei s ARG 82 CO 0.27 0.46 0.06 0.14 0.02 0.00 0.00 175.30 176.25 2eei s VAL 83 N -1.76 0.16 -0.28 3.52 -7.23 0.32 -4.86 120.40 110.27 2eei s VAL 83 Ca 0.29 -1.35 0.03 0.00 -1.81 0.00 0.00 61.98 59.14 2eei s VAL 83 Cb -0.09 -1.15 0.07 0.00 0.56 0.00 0.00 36.38 35.76 2eei s VAL 83 CO 0.20 -0.74 -0.06 -0.32 -0.31 0.00 0.00 175.10 173.87 2eei s MET 84 N -3.22 2.09 -0.22 4.82 1.75 -1.26 -0.54 119.30 122.72 2eei s MET 84 Ca 0.00 -1.46 -0.08 0.00 -1.25 0.00 0.00 55.69 52.90 2eei s MET 84 Cb 0.03 -3.00 -0.04 0.00 2.84 0.00 0.00 34.83 34.66 2eei s MET 84 CO -0.07 -0.66 0.08 -0.06 -0.65 0.00 0.00 175.02 173.65 2eei s PHE 85 N 1.07 3.18 -0.21 4.11 0.08 0.63 -0.17 117.98 126.67 2eei s PHE 85 Ca -0.04 -0.10 -0.03 0.00 0.12 0.00 0.00 56.93 56.88 2eei s PHE 85 Cb -0.20 -2.17 -0.00 0.00 -0.57 0.00 0.00 43.02 40.08 2eei s PHE 85 CO -0.05 -0.07 -0.08 -1.17 -0.10 0.00 0.00 175.22 173.74 2eei s LEU 86 N 1.00 2.73 0.26 -0.37 2.96 -1.11 -0.28 118.68 123.88 2eei s LEU 86 Ca 0.04 -0.46 0.01 0.00 -0.22 0.00 0.00 54.13 53.50 2eei s LEU 86 Cb -0.14 -1.68 -0.03 0.00 0.50 0.00 0.00 46.19 44.84 2eei s LEU 86 CO 0.03 -0.02 0.24 -0.76 -1.32 0.00 0.00 176.35 174.52 2eei s LEU 87 N 1.43 1.31 0.26 -0.68 1.02 -1.24 -0.45 118.68 120.33 2eei s LEU 87 Ca 0.05 -1.51 0.11 0.00 0.02 0.00 0.00 54.13 52.81 2eei s LEU 87 Cb -0.14 0.63 -0.05 0.00 0.02 0.00 0.00 46.19 46.65 2eei s LEU 87 CO -0.05 -0.98 -0.17 -0.69 0.02 0.00 0.00 176.35 174.47 2eei s VAL 88 N -3.78 2.64 0.10 -1.59 1.01 -1.26 -3.41 120.40 114.11 2eei s VAL 88 Ca 0.38 -2.23 -0.31 0.00 0.00 0.00 0.00 61.98 59.82 2eei s VAL 88 Cb 0.04 -2.37 -0.08 0.00 0.00 0.00 0.00 36.38 33.97 2eei s VAL 88 CO 0.18 -0.33 1.51 -1.81 0.00 0.00 0.00 175.10 174.65 2eei s ASP 89 N -3.36 6.70 0.54 3.32 1.01 -1.26 -4.32 116.67 119.31 2eei s ASP 89 Ca 0.28 2.41 0.19 0.00 0.71 0.00 0.00 52.55 56.15 2eei s ASP 89 Cb -0.06 -2.58 1.05 0.00 1.01 0.00 0.00 42.92 42.34 2eei s ASP 89 CO 0.15 -0.77 1.54 0.07 0.21 0.00 0.00 175.17 176.37 2eei h LYS 90 N 7.39 0.00 0.19 8.23 2.10 -1.82 -0.85 116.57 131.81 2eei h LYS 90 Ca -0.42 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.22 2eei h LYS 90 Cb 1.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 2eei h LYS 90 CO 0.90 0.00 -0.09 0.93 -2.00 0.00 0.00 179.45 179.19 2eei h GLU 91 N 0.00 -0.24 -0.45 0.07 4.39 -1.88 -2.02 114.58 114.44 2eei h GLU 91 Ca 0.00 0.02 0.05 0.00 0.34 0.00 0.00 59.36 59.76 2eei h GLU 91 Cb 0.86 0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 29.52 2eei h GLU 91 CO 0.00 0.03 0.19 1.15 -1.16 0.00 0.00 179.01 179.22 2eei h THR 92 N -1.01 0.91 0.67 1.13 2.02 -1.55 -2.98 112.91 112.10 2eei h THR 92 Ca -0.03 -0.13 -0.03 0.00 0.77 0.00 0.00 66.41 66.99 2eei h THR 92 Cb 0.38 0.49 0.01 0.00 -1.74 0.00 0.00 68.15 67.29 2eei h THR 92 CO 0.04 0.07 -0.32 -0.78 0.37 0.00 0.00 175.52 174.90 2eei h ASP 93 N 0.39 -0.77 -2.33 4.18 1.82 -1.56 -3.41 116.42 114.74 2eei h ASP 93 Ca 0.20 0.01 -0.57 0.00 -0.39 0.00 0.00 57.03 56.29 2eei h ASP 93 Cb 0.16 0.20 -0.00 0.00 0.68 0.00 0.00 39.33 40.37 2eei h ASP 93 CO -0.18 -0.51 1.32 -0.75 -1.61 0.00 0.00 179.24 177.51 2eei s LYS 94 N -5.79 3.59 -0.82 0.28 2.20 -0.76 -4.87 119.74 113.58 2eei s LYS 94 Ca -0.17 2.07 -0.25 0.00 -0.36 0.00 0.00 55.97 57.25 2eei s LYS 94 Cb 0.03 -4.22 -0.08 0.00 -1.51 0.00 0.00 37.83 32.05 2eei s LYS 94 CO 0.59 -1.56 2.13 1.03 -0.36 0.00 0.00 175.35 177.17 2eei s ARG 95 N 5.36 2.20 -0.11 4.03 0.52 -1.26 -4.81 118.95 124.87 2eei s ARG 95 Ca 0.89 0.13 0.01 0.00 -0.52 0.00 0.00 55.73 56.24 2eei s ARG 95 Cb -0.33 -4.89 -0.01 0.00 0.52 0.00 0.00 34.95 30.23 2eei s ARG 95 CO 0.35 -3.71 -0.15 -1.58 0.02 0.00 0.00 175.30 170.24 2eei s HIS 96 N 11.78 2.75 0.45 -0.53 2.46 -1.26 -5.13 115.29 125.81 2eei s HIS 96 Ca 0.79 -0.64 0.07 0.00 0.47 0.00 0.00 55.06 55.76 2eei s HIS 96 Cb -0.10 -1.79 -0.01 0.00 -0.13 0.00 0.00 32.58 30.56 2eei s HIS 96 CO 0.05 -0.19 0.39 0.14 -2.47 0.00 0.00 174.74 172.67 2eei s VAL 97 N 0.19 2.40 -0.20 0.89 -7.23 -1.26 -5.12 120.40 110.06 2eei s VAL 97 Ca -0.09 -1.38 -0.01 0.00 -1.81 0.00 0.00 61.98 58.69 2eei s VAL 97 Cb -0.15 -2.78 0.06 0.00 0.56 0.00 0.00 36.38 34.06 2eei s VAL 97 CO 0.05 0.00 -0.00 -1.61 -0.31 0.00 0.00 175.10 173.23 2eei s GLU 98 N -4.17 1.05 0.02 4.82 2.02 -1.26 -5.11 118.70 116.07 2eei s GLU 98 Ca 0.46 -0.59 -0.30 0.00 0.02 0.00 0.00 54.97 54.55 2eei s GLU 98 Cb -0.03 -2.21 -0.07 0.00 0.10 0.00 0.00 34.13 31.92 2eei s GLU 98 CO 0.27 -0.59 1.59 -1.14 0.02 0.00 0.00 175.26 175.41 2eei s GLN 99 N 1.69 4.21 0.11 1.61 0.74 -1.26 -5.00 119.66 121.76 2eei s GLN 99 Ca -0.02 2.20 -0.08 0.00 0.05 0.00 0.00 55.36 57.51 2eei s GLN 99 Cb -0.17 -3.71 -0.06 0.00 1.10 0.00 0.00 33.01 30.17 2eei s GLN 99 CO -0.07 -0.73 0.39 0.21 -0.55 0.00 0.00 175.29 174.54 2eei s LYS 100 N 2.99 3.70 -0.68 1.67 2.20 -1.26 -5.06 119.74 123.30 2eei s LYS 100 Ca 0.71 0.07 0.05 0.00 -0.36 0.00 0.00 55.97 56.44 2eei s LYS 100 Cb -0.36 -2.92 0.16 0.00 -1.51 0.00 0.00 37.83 33.20 2eei s LYS 100 CO 0.30 0.51 0.46 -1.54 -0.36 0.00 0.00 175.35 174.73 2eei s SER 101 N -2.05 4.69 0.59 1.43 1.04 -1.26 -5.04 113.70 113.10 2eei s SER 101 Ca 0.37 -3.74 0.00 0.00 0.48 0.00 0.00 55.95 53.05 2eei s SER 101 Cb -0.13 -1.61 0.00 0.00 0.10 0.00 0.00 66.02 64.38 2eei s SER 101 CO 0.21 -0.10 0.00 0.61 0.98 0.00 0.00 173.24 174.93 2eei n GLY 102 N 2.12 -4.33 3.77 7.32 0.00 -1.26 -4.88 105.19 107.93 2eei n GLY 102 Ca 0.18 -0.78 -0.36 0.00 0.00 0.00 0.00 46.02 45.06 2eei n GLY 102 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2eei s PRO 103 N -4.79 3.47 0.22 1.61 0.04 -1.26 -4.99 135.00 129.29 2eei s PRO 103 Ca 0.00 1.66 -0.30 0.00 0.04 0.00 0.00 61.00 62.40 2eei s PRO 103 Cb 0.00 -2.12 -0.09 0.00 0.04 0.00 0.00 34.50 32.34 2eei s PRO 103 CO 0.00 -0.77 1.23 0.45 0.04 0.00 0.00 177.00 177.95 2eei s SER 104 N -1.66 7.02 -0.14 6.66 0.15 -1.26 -4.97 113.70 119.50 2eei s SER 104 Ca 0.70 2.34 -0.13 0.00 0.70 0.00 0.00 55.95 59.56 2eei s SER 104 Cb -0.25 -2.62 -0.04 0.00 -1.71 0.00 0.00 66.02 61.40 2eei s SER 104 CO 0.29 -0.40 -0.25 -0.24 1.20 0.00 0.00 173.24 173.84 2eei n SER 105 N 2.17 1.58 0.00 5.45 2.88 -1.26 -5.30 113.62 119.14 2eei n SER 105 Ca 0.04 0.37 0.00 0.00 -1.33 0.00 0.00 58.87 57.94 2eei n SER 105 Cb 0.44 -0.73 0.00 0.00 -0.75 0.00 0.00 64.21 63.16 2eei n SER 105 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42