#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 -0.74 -0.24 1.61 0.01 -1.26 -5.17 113.70 107.91 2eei s SER 2 Ca 0.00 1.41 -0.27 0.00 1.31 0.00 0.00 55.95 58.40 2eei s SER 2 Cb 0.00 1.42 0.14 0.00 0.21 0.00 0.00 66.02 67.79 2eei s SER 2 CO 0.00 -0.24 1.12 -0.55 0.41 0.00 0.00 173.24 173.98 2eei s SER 3 N 0.49 -0.31 0.00 2.44 0.15 -1.26 -5.13 113.70 110.08 2eei s SER 3 Ca -0.01 0.48 0.00 0.00 0.70 0.00 0.00 55.95 57.13 2eei s SER 3 Cb -0.05 0.45 0.00 0.00 -1.71 0.00 0.00 66.02 64.71 2eei s SER 3 CO -0.01 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 174.85 2eei n GLY 4 N 1.38 -2.72 3.21 9.45 0.00 -1.26 -5.12 105.19 110.13 2eei n GLY 4 Ca -0.10 -0.63 -0.12 0.00 0.00 0.00 0.00 46.02 45.17 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 0.00 -0.11 -0.25 1.61 0.01 -1.26 -5.14 113.70 108.56 2eei s SER 5 Ca 0.00 -0.09 -0.01 0.00 1.31 0.00 0.00 55.95 57.16 2eei s SER 5 Cb 0.00 0.30 0.03 0.00 0.21 0.00 0.00 66.02 66.56 2eei s SER 5 CO 0.00 -0.49 -0.07 -0.55 0.41 0.00 0.00 173.24 172.54 2eei s SER 6 N -1.61 4.30 0.00 2.44 0.15 -1.26 -4.75 113.70 112.97 2eei s SER 6 Ca -0.11 -0.91 0.00 0.00 0.70 0.00 0.00 55.95 55.63 2eei s SER 6 Cb -0.04 -1.65 0.00 0.00 -1.71 0.00 0.00 66.02 62.62 2eei s SER 6 CO 0.01 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 174.93 2eei n GLY 7 N 4.65 0.55 0.50 9.45 0.00 -1.26 -5.01 105.19 114.08 2eei n GLY 7 Ca -0.16 0.12 -0.18 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.96 -7.38 1.61 7.50 -2.02 -3.44 115.11 110.42 2eei h GLN 8 Ca 0.00 0.07 -0.42 0.00 0.50 0.00 0.00 58.65 58.79 2eei h GLN 8 Cb 0.00 0.22 0.18 0.00 0.05 0.00 0.00 27.48 27.93 2eei h GLN 8 CO 0.00 -0.64 0.15 -1.25 -1.50 0.00 0.00 178.83 175.59 2eei s PRO 9 N -5.81 -0.78 -0.16 1.46 0.04 -1.26 -5.02 135.00 123.47 2eei s PRO 9 Ca -0.18 0.10 -0.04 0.00 0.04 0.00 0.00 61.00 60.93 2eei s PRO 9 Cb 0.04 -1.63 -0.03 0.00 0.04 0.00 0.00 34.50 32.92 2eei s PRO 9 CO 0.59 -3.45 -0.03 0.50 0.04 0.00 0.00 177.00 174.66 2eei s ARG 10 N -5.26 3.68 -0.33 4.56 3.52 -1.16 -5.05 118.95 118.91 2eei s ARG 10 Ca 0.69 -0.51 -0.21 0.00 -0.13 0.00 0.00 55.73 55.57 2eei s ARG 10 Cb -0.13 -2.96 -0.00 0.00 -1.56 0.00 0.00 34.95 30.31 2eei s ARG 10 CO 0.57 0.21 0.69 -1.17 -0.81 0.00 0.00 175.30 174.78 2eei s LEU 11 N 0.46 4.16 -0.56 -0.88 1.98 -1.26 -3.48 118.68 119.10 2eei s LEU 11 Ca -0.03 0.39 -0.13 0.00 -2.89 0.00 0.00 54.13 51.48 2eei s LEU 11 Cb -0.14 -2.90 0.14 0.00 0.66 0.00 0.00 46.19 43.95 2eei s LEU 11 CO 0.03 -0.58 0.48 0.00 -1.89 0.00 0.00 176.35 174.39 2eei s TYR 13 N 1.24 2.69 0.27 0.00 5.04 -1.26 -1.09 117.35 124.24 2eei s TYR 13 Ca 0.07 0.20 -0.11 0.00 -2.44 0.00 0.00 57.07 54.78 2eei s TYR 13 Cb -0.25 -4.31 -0.08 0.00 0.35 0.00 0.00 41.96 37.67 2eei s TYR 13 CO -0.00 -1.48 0.62 -0.51 -1.34 0.00 0.00 175.55 172.83 2eei s LEU 14 N 4.48 4.12 -0.07 6.97 2.01 0.38 -4.78 118.68 131.80 2eei s LEU 14 Ca 0.37 1.04 -0.03 0.00 0.01 0.00 0.00 54.13 55.52 2eei s LEU 14 Cb -0.10 -3.82 0.04 0.00 0.01 0.00 0.00 46.19 42.32 2eei s LEU 14 CO 0.22 -0.13 0.15 -0.69 1.01 0.00 0.00 176.35 176.91 2eei s VAL 15 N -1.89 -0.05 -0.19 -1.59 1.01 -1.26 -1.29 120.40 115.14 2eei s VAL 15 Ca 0.50 0.18 -0.36 0.00 0.00 0.00 0.00 61.98 62.30 2eei s VAL 15 Cb -0.11 -0.25 -0.12 0.00 0.00 0.00 0.00 36.38 35.90 2eei s VAL 15 CO 0.20 0.07 1.93 0.29 0.00 0.00 0.00 175.10 177.59 2eei n LYS 16 N 4.23 1.73 0.05 2.72 5.02 -0.58 -4.81 118.16 126.51 2eei n LYS 16 Ca -0.26 0.61 0.00 0.00 -2.02 0.00 0.00 58.31 56.63 2eei n LYS 16 Cb 0.52 -2.51 0.00 0.00 -0.02 0.00 0.00 35.03 33.01 2eei n LYS 16 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2eei n GLU 17 N 6.76 0.00 -4.67 1.97 2.13 -1.26 -5.04 120.64 120.52 2eei n GLU 17 Ca 0.27 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.79 2eei n GLU 17 Cb 0.25 -0.46 -0.08 0.00 0.27 0.00 0.00 31.44 31.42 2eei n GLU 17 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 2eei s GLY 18 N -3.98 2.81 0.22 8.31 0.00 -1.26 -5.01 107.32 108.41 2eei s GLY 18 Ca 0.00 -0.95 0.01 0.00 0.00 0.00 0.00 44.72 43.78 2eei s GLY 18 CO 0.00 -2.09 1.12 0.61 0.00 0.00 0.00 173.10 172.74 2eei n GLY 19 N -1.12 -0.98 3.16 0.20 0.00 -1.26 -4.00 105.19 101.19 2eei n GLY 19 Ca -0.13 0.70 -0.30 0.00 0.00 0.00 0.00 46.02 46.29 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 -5.01 2.73 0.01 1.61 1.04 -1.26 -5.05 113.70 107.77 2eei s SER 20 Ca -0.09 -0.49 -0.01 0.00 0.48 0.00 0.00 55.95 55.83 2eei s SER 20 Cb 0.21 -1.25 -0.00 0.00 0.10 0.00 0.00 66.02 65.08 2eei s SER 20 CO 0.56 0.11 1.02 -1.22 0.98 0.00 0.00 173.24 174.69 2eei n TYR 21 N 3.69 -0.02 0.00 5.02 4.01 -1.26 -4.85 117.16 123.75 2eei n TYR 21 Ca -0.20 0.05 0.00 0.00 -0.16 0.00 0.00 57.90 57.59 2eei n TYR 21 Cb 0.52 -0.50 0.00 0.00 -0.31 0.00 0.00 39.34 39.05 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 -1.01 0.00 3.40 2.72 0.00 -1.26 -2.93 105.19 106.11 2eei n GLY 22 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 0.00 -0.46 -0.03 1.61 -0.12 -1.26 -2.38 117.98 115.34 2eei s PHE 23 Ca 0.00 0.78 -0.03 0.00 -0.05 0.00 0.00 56.93 57.63 2eei s PHE 23 Cb 0.00 0.28 -0.04 0.00 -0.63 0.00 0.00 43.02 42.63 2eei s PHE 23 CO 0.00 -0.51 0.14 -1.12 -0.05 0.00 0.00 175.22 173.68 2eei s SER 24 N -1.22 6.14 -0.11 1.98 0.01 -0.57 -5.00 113.70 114.92 2eei s SER 24 Ca -0.12 0.30 0.03 0.00 1.31 0.00 0.00 55.95 57.47 2eei s SER 24 Cb -0.02 -1.89 0.01 0.00 0.21 0.00 0.00 66.02 64.33 2eei s SER 24 CO 0.07 0.29 -0.20 -0.76 0.41 0.00 0.00 173.24 173.05 2eei s LEU 25 N -1.72 1.98 -0.16 2.44 1.43 -1.26 -2.71 118.68 118.68 2eei s LEU 25 Ca 0.24 -0.52 -0.15 0.00 -1.03 0.00 0.00 54.13 52.67 2eei s LEU 25 Cb -0.12 -1.29 0.04 0.00 0.03 0.00 0.00 46.19 44.84 2eei s LEU 25 CO 0.15 0.09 0.43 -1.59 0.23 0.00 0.00 176.35 175.66 2eei s LYS 26 N 0.64 0.50 0.34 1.70 -2.85 -1.22 -5.02 119.74 113.82 2eei s LYS 26 Ca -0.13 0.59 0.05 0.00 -1.00 0.00 0.00 55.97 55.48 2eei s LYS 26 Cb -0.16 0.24 -0.01 0.00 -2.06 0.00 0.00 37.83 35.83 2eei s LYS 26 CO 0.03 -0.06 0.49 0.95 0.10 0.00 0.00 175.35 176.86 2eei s THR 27 N 0.23 4.32 0.08 3.79 -4.23 -1.26 -3.69 115.64 114.87 2eei s THR 27 Ca -0.00 -0.87 0.06 0.00 -1.18 0.00 0.00 61.69 59.70 2eei s THR 27 Cb -0.03 -3.52 -0.03 0.00 1.34 0.00 0.00 72.50 70.26 2eei s THR 27 CO 0.01 -0.24 -0.17 -0.69 -0.54 0.00 0.00 174.62 172.99 2eei s VAL 28 N -2.22 1.34 0.31 2.29 1.01 -1.26 -5.03 120.40 116.84 2eei s VAL 28 Ca 0.43 -1.33 0.15 0.00 0.00 0.00 0.00 61.98 61.23 2eei s VAL 28 Cb -0.10 -1.24 0.09 0.00 0.00 0.00 0.00 36.38 35.13 2eei s VAL 28 CO 0.32 -0.11 1.78 -0.61 0.00 0.00 0.00 175.10 176.48 2eei h GLN 29 N 4.35 0.00 -1.59 2.72 -0.00 -2.00 -3.19 115.11 115.41 2eei h GLN 29 Ca -0.42 0.00 -0.64 0.00 -0.00 0.00 0.00 58.65 57.58 2eei h GLN 29 Cb 1.18 0.00 -0.37 0.00 0.00 0.00 0.00 27.48 28.29 2eei h GLN 29 CO 0.41 0.41 -0.16 0.41 0.00 0.00 0.00 178.83 179.89 2eei n GLY 30 N -0.18 5.89 3.60 2.39 0.00 -1.26 -5.01 105.19 110.62 2eei n GLY 30 Ca -0.01 -2.66 -0.11 0.00 0.00 0.00 0.00 46.02 43.23 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 -3.71 1.82 -0.17 1.61 -0.14 -1.21 -5.16 119.74 112.79 2eei s LYS 31 Ca 0.50 -1.48 0.01 0.00 -1.36 0.00 0.00 55.97 53.64 2eei s LYS 31 Cb 0.42 0.49 0.01 0.00 -1.68 0.00 0.00 37.83 37.07 2eei s LYS 31 CO -0.23 -0.78 -0.18 0.15 -0.76 0.00 0.00 175.35 173.55 2eei s LYS 32 N -3.32 3.07 0.21 1.68 1.02 -1.26 -4.85 119.74 116.29 2eei s LYS 32 Ca 0.24 -0.80 0.00 0.00 0.02 0.00 0.00 55.97 55.43 2eei s LYS 32 Cb -0.02 -2.60 0.00 0.00 -0.52 0.00 0.00 37.83 34.69 2eei s LYS 32 CO 0.14 -0.14 0.00 0.41 -0.92 0.00 0.00 175.35 174.84 2eei n GLY 33 N 4.46 -1.91 3.95 -3.33 0.00 -0.72 -4.79 105.19 102.85 2eei n GLY 33 Ca -0.20 -1.32 -0.23 0.00 0.00 0.00 0.00 46.02 44.26 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 -2.08 4.27 0.14 1.61 0.11 -1.25 -4.64 120.40 118.57 2eei s VAL 34 Ca 0.00 -0.45 -0.19 0.00 -2.93 0.00 0.00 61.98 58.41 2eei s VAL 34 Cb 0.00 -3.58 0.05 0.00 -1.53 0.00 0.00 36.38 31.33 2eei s VAL 34 CO 0.00 -0.41 0.50 -0.72 -3.33 0.00 0.00 175.10 171.14 2eei s TYR 35 N -2.52 -0.36 0.24 1.54 -0.85 -1.24 -2.75 117.35 111.41 2eei s TYR 35 Ca 0.47 0.09 -0.30 0.00 -0.52 0.00 0.00 57.07 56.81 2eei s TYR 35 Cb -0.10 0.41 -0.09 0.00 0.38 0.00 0.00 41.96 42.56 2eei s TYR 35 CO 0.38 -0.78 1.23 -1.64 -1.52 0.00 0.00 175.55 173.22 2eei s MET 36 N -3.78 4.46 -0.04 -3.49 -1.94 -1.22 -3.46 119.30 109.83 2eei s MET 36 Ca 0.02 1.99 -0.01 0.00 -1.71 0.00 0.00 55.69 55.98 2eei s MET 36 Cb 0.00 -3.18 -0.02 0.00 2.01 0.00 0.00 34.83 33.65 2eei s MET 36 CO -0.12 -0.09 -0.04 -2.37 -0.01 0.00 0.00 175.02 172.38 2eei n THR 37 N 1.87 0.22 -4.04 2.05 5.66 -1.10 -0.90 114.28 118.05 2eei n THR 37 Ca 0.03 -0.07 -0.31 0.00 -3.05 0.00 0.00 64.05 60.65 2eei n THR 37 Cb 0.43 -1.14 -0.16 0.00 -1.55 0.00 0.00 70.33 67.92 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 -4.91 3.42 -0.28 1.09 2.15 -1.26 -4.59 116.67 112.29 2eei s ASP 38 Ca -0.05 -0.87 -0.12 0.00 0.43 0.00 0.00 52.55 51.93 2eei s ASP 38 Cb 0.02 -1.34 -0.04 0.00 -0.30 0.00 0.00 42.92 41.26 2eei s ASP 38 CO 0.08 -0.11 0.25 -0.63 -0.17 0.00 0.00 175.17 174.59 2eei s ILE 39 N 1.33 5.27 0.18 4.11 -1.09 -1.26 -1.52 121.20 128.23 2eei s ILE 39 Ca -0.00 0.23 -0.31 0.00 -2.23 0.00 0.00 60.65 58.35 2eei s ILE 39 Cb -0.16 -3.60 -0.09 0.00 -1.58 0.00 0.00 42.46 37.04 2eei s ILE 39 CO -0.09 0.19 1.40 -0.89 -1.23 0.00 0.00 174.94 174.32 2eei s THR 40 N 1.85 3.02 0.19 2.92 2.01 -1.00 -4.97 115.64 119.65 2eei s THR 40 Ca 0.09 0.80 -0.30 0.00 0.31 0.00 0.00 61.69 62.59 2eei s THR 40 Cb -0.16 -3.51 -0.09 0.00 0.01 0.00 0.00 72.50 68.75 2eei s THR 40 CO 0.11 0.10 1.31 -2.16 -0.69 0.00 0.00 174.62 173.28 2eei s PRO 41 N 0.30 4.39 -1.36 4.92 0.04 -1.26 -3.18 135.00 138.84 2eei s PRO 41 Ca 0.61 2.04 -0.08 0.00 0.04 0.00 0.00 61.00 63.62 2eei s PRO 41 Cb -0.39 -3.20 0.02 0.00 0.04 0.00 0.00 34.50 30.97 2eei s PRO 41 CO 0.36 -0.26 1.07 1.04 0.04 0.00 0.00 177.00 179.26 2eei n GLN 42 N 2.71 -6.96 -4.70 4.56 6.02 -1.26 -5.00 117.38 112.75 2eei n GLN 42 Ca 0.06 0.77 -0.31 0.00 -0.01 0.00 0.00 57.00 57.51 2eei n GLN 42 Cb 0.43 -5.74 -0.08 0.00 1.02 0.00 0.00 30.24 25.86 2eei n GLN 42 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 2eei s GLY 43 N -3.60 2.86 0.19 1.08 0.00 -1.19 -4.96 107.32 101.70 2eei s GLY 43 Ca 0.45 -0.86 -0.19 0.00 0.00 0.00 0.00 44.72 44.12 2eei s GLY 43 CO 0.76 -2.13 1.61 -2.08 0.00 0.00 0.00 173.10 171.25 2eei h VAL 44 N 1.49 0.27 0.64 1.40 2.07 -1.83 0.46 116.25 120.75 2eei h VAL 44 Ca -0.43 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.06 2eei h VAL 44 Cb 1.30 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 31.33 2eei h VAL 44 CO 0.73 0.00 -0.41 0.00 0.02 0.00 0.00 177.57 177.91 2eei h ALA 45 N 1.17 -1.20 -0.34 1.67 0.00 -1.73 0.77 119.26 119.60 2eei h ALA 45 Ca 0.24 -0.21 0.10 0.00 0.00 0.00 0.00 54.91 55.04 2eei h ALA 45 Cb 0.51 0.54 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 2eei h ALA 45 CO -0.62 -1.17 0.40 1.98 0.00 0.00 0.00 179.25 179.83 2eei h MET 46 N -0.99 0.00 0.06 0.00 -1.53 -1.62 0.19 114.93 111.03 2eei h MET 46 Ca -0.09 0.00 -0.29 0.00 -3.44 0.00 0.00 59.70 55.89 2eei h MET 46 Cb 0.80 0.00 -0.03 0.00 -0.55 0.00 0.00 31.60 31.82 2eei h MET 46 CO 0.07 0.00 -1.53 0.00 0.14 0.00 0.00 176.91 175.60 2eei h ARG 47 N 0.00 0.12 0.00 0.39 2.47 0.66 -3.32 114.38 114.69 2eei h ARG 47 Ca 0.16 -0.20 -0.09 0.00 -1.26 0.00 0.00 59.98 58.59 2eei h ARG 47 Cb 0.95 0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 29.34 2eei h ARG 47 CO -0.00 0.89 -0.41 0.00 0.56 0.00 0.00 179.97 181.01 2eei h ALA 48 N 0.72 1.15 0.00 0.04 0.00 0.35 -3.47 119.26 118.05 2eei h ALA 48 Ca -0.23 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.31 2eei h ALA 48 Cb 1.97 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.69 2eei h ALA 48 CO 0.12 0.52 0.00 0.41 0.00 0.00 0.00 179.25 180.30 2eei n GLY 49 N -0.08 1.01 3.37 0.00 0.00 -0.53 -4.52 105.19 104.44 2eei n GLY 49 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 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 3.43 0.58 1.61 0.11 -1.15 -4.80 120.40 118.18 2eei s VAL 50 Ca 0.00 -0.50 -0.04 0.00 -2.93 0.00 0.00 61.98 58.51 2eei s VAL 50 Cb 0.00 -2.52 0.02 0.00 -1.53 0.00 0.00 36.38 32.34 2eei s VAL 50 CO 0.00 0.46 0.86 -0.76 -3.33 0.00 0.00 175.10 172.33 2eei s LEU 51 N 0.97 3.26 0.93 2.54 1.43 -1.26 -4.57 118.68 121.97 2eei s LEU 51 Ca -0.00 0.52 -0.14 0.00 -1.03 0.00 0.00 54.13 53.48 2eei s LEU 51 Cb -0.15 -3.34 0.19 0.00 0.03 0.00 0.00 46.19 42.92 2eei s LEU 51 CO 0.00 -1.08 1.28 0.00 0.23 0.00 0.00 176.35 176.78 2eei s ALA 52 N -2.92 2.42 -1.62 4.21 0.00 -1.26 -4.15 121.76 118.45 2eei s ALA 52 Ca 0.54 -1.25 -0.19 0.00 0.00 0.00 0.00 51.96 51.06 2eei s ALA 52 Cb -0.10 -2.69 0.17 0.00 0.00 0.00 0.00 23.12 20.50 2eei s ALA 52 CO 0.43 -2.30 0.62 -0.25 0.00 0.00 0.00 175.76 174.26 2eei n ASP 53 N -3.64 -2.57 -4.33 0.00 8.00 -0.07 -4.88 116.55 109.05 2eei n ASP 53 Ca 0.15 -0.94 -0.36 0.00 0.71 0.00 0.00 54.79 54.36 2eei n ASP 53 Cb 0.60 -2.16 -0.13 0.00 -0.02 0.00 0.00 41.12 39.40 2eei n ASP 53 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 2eei s ASP 54 N -3.11 4.68 0.17 -2.24 1.11 -1.25 -4.78 116.67 111.25 2eei s ASP 54 Ca 0.70 -0.49 -0.31 0.00 0.18 0.00 0.00 52.55 52.63 2eei s ASP 54 Cb -0.39 -1.80 -0.09 0.00 1.07 0.00 0.00 42.92 41.70 2eei s ASP 54 CO 0.86 -0.08 1.47 -2.28 1.18 0.00 0.00 175.17 176.32 2eei s HIS 55 N 1.49 3.12 -0.25 4.23 5.65 -1.26 -3.42 115.29 124.85 2eei s HIS 55 Ca 0.04 0.84 -0.29 0.00 0.25 0.00 0.00 55.06 55.91 2eei s HIS 55 Cb -0.15 -3.81 -0.00 0.00 -1.18 0.00 0.00 32.58 27.43 2eei s HIS 55 CO -0.01 -2.86 1.26 -0.51 -0.65 0.00 0.00 174.74 171.97 2eei s LEU 56 N 0.75 4.00 0.05 8.88 1.02 -1.11 -3.99 118.68 128.28 2eei s LEU 56 Ca 0.65 1.38 0.05 0.00 0.02 0.00 0.00 54.13 56.24 2eei s LEU 56 Cb -0.41 -3.54 -0.24 0.00 0.02 0.00 0.00 46.19 42.03 2eei s LEU 56 CO 0.34 -0.93 1.01 0.40 0.02 0.00 0.00 176.35 177.19 2eei h ILE 57 N 5.75 1.34 -1.42 -0.59 1.08 -0.45 -3.29 117.51 119.93 2eei h ILE 57 Ca -0.25 -3.06 0.25 0.00 -0.39 0.00 0.00 64.86 61.40 2eei h ILE 57 Cb 1.09 2.73 -0.20 0.00 -3.07 0.00 0.00 36.82 37.37 2eei h ILE 57 CO 1.01 0.81 0.82 -1.83 -0.69 0.00 0.00 178.15 178.27 2eei s GLU 58 N -2.66 0.28 -0.08 2.37 4.04 -1.22 -3.25 118.70 118.19 2eei s GLU 58 Ca -0.03 -0.08 0.03 0.00 0.04 0.00 0.00 54.97 54.93 2eei s GLU 58 Cb 0.08 0.13 0.00 0.00 0.02 0.00 0.00 34.13 34.37 2eei s GLU 58 CO 0.83 -0.12 -0.19 0.08 -1.84 0.00 0.00 175.26 174.02 2eei s VAL 59 N -2.20 1.65 -1.57 1.83 1.01 0.92 -2.44 120.40 119.60 2eei s VAL 59 Ca 0.09 -0.79 -0.20 0.00 0.00 0.00 0.00 61.98 61.08 2eei s VAL 59 Cb -0.01 -1.45 0.20 0.00 0.00 0.00 0.00 36.38 35.12 2eei s VAL 59 CO -0.05 0.47 0.51 -0.46 0.00 0.00 0.00 175.10 175.57 2eei n ASN 60 N 3.58 -1.74 -0.77 3.32 0.23 0.10 0.06 115.26 120.04 2eei n ASN 60 Ca -0.20 -0.95 0.00 0.00 -0.53 0.00 0.00 54.58 52.89 2eei n ASN 60 Cb 0.52 -1.54 0.00 0.00 -2.08 0.00 0.00 39.78 36.69 2eei n ASN 60 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2eei n GLY 61 N -0.98 0.67 2.88 4.83 0.00 -1.26 -4.93 105.19 106.40 2eei n GLY 61 Ca 0.10 -0.57 -0.15 0.00 0.00 0.00 0.00 46.02 45.40 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 -4.43 0.18 -0.09 1.61 2.02 0.11 -5.11 118.70 112.98 2eei s GLU 62 Ca 0.00 0.49 -0.29 0.00 0.02 0.00 0.00 54.97 55.18 2eei s GLU 62 Cb 0.00 -0.59 -0.07 0.00 0.10 0.00 0.00 34.13 33.57 2eei s GLU 62 CO 0.00 -0.48 2.06 -0.80 0.02 0.00 0.00 175.26 176.06 2eei s ASN 63 N 2.38 6.01 0.00 -0.19 -0.87 -1.26 -0.06 114.94 120.96 2eei s ASN 63 Ca 0.05 2.28 0.00 0.00 -1.57 0.00 0.00 52.86 53.62 2eei s ASN 63 Cb -0.14 -2.52 0.00 0.00 -0.02 0.00 0.00 41.25 38.57 2eei s ASN 63 CO -0.11 -1.46 0.71 1.33 -2.57 0.00 0.00 177.10 175.01 2eei n VAL 64 N 6.55 0.45 -0.33 1.60 0.24 -1.20 -4.76 118.33 120.89 2eei n VAL 64 Ca 0.24 -0.70 0.26 0.00 -2.04 0.00 0.00 64.34 62.10 2eei n VAL 64 Cb 0.43 0.80 0.50 0.00 -1.47 0.00 0.00 33.84 34.10 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 0.00 0.06 -1.19 7.34 5.08 -1.65 0.47 114.58 124.70 2eei h GLU 65 Ca 0.00 -0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.75 2eei h GLU 65 Cb 0.26 -0.01 -0.39 0.00 0.50 0.00 0.00 28.75 29.11 2eei h GLU 65 CO 0.00 0.04 -0.39 -0.40 -1.00 0.00 0.00 179.01 177.27 2eei n ASP 66 N -5.27 5.46 -4.29 1.42 5.75 -1.26 -1.75 116.55 116.60 2eei n ASP 66 Ca 0.33 -3.75 -0.28 0.00 -0.01 0.00 0.00 54.79 51.08 2eei n ASP 66 Cb 1.11 -0.54 -0.15 0.00 -1.03 0.00 0.00 41.12 40.51 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 -3.66 1.98 0.45 2.12 0.00 0.17 -4.87 121.76 117.95 2eei s ALA 67 Ca 0.52 -1.14 -0.20 0.00 0.00 0.00 0.00 51.96 51.14 2eei s ALA 67 Cb 0.42 -0.42 -0.10 0.00 0.00 0.00 0.00 23.12 23.02 2eei s ALA 67 CO -0.10 0.46 0.96 -1.12 0.00 0.00 0.00 175.76 175.96 2eei s SER 68 N -1.12 6.85 0.20 0.00 0.01 -1.26 -3.81 113.70 114.57 2eei s SER 68 Ca 0.09 1.66 -0.21 0.00 1.31 0.00 0.00 55.95 58.80 2eei s SER 68 Cb -0.09 -2.53 0.12 0.00 0.21 0.00 0.00 66.02 63.73 2eei s SER 68 CO 0.02 -0.42 1.48 1.57 0.41 0.00 0.00 173.24 176.29 2eei n HIS 69 N -0.90 -0.14 -0.32 2.43 -0.00 -1.26 0.10 115.22 115.14 2eei n HIS 69 Ca 0.07 1.18 0.20 0.00 0.46 0.00 0.00 57.72 59.63 2eei n HIS 69 Cb 0.54 -0.75 0.40 0.00 -0.12 0.00 0.00 29.99 30.06 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 0.17 -0.18 1.57 4.11 -1.99 1.29 114.58 119.56 2eei h GLU 70 Ca 0.27 -0.01 -0.10 0.00 0.07 0.00 0.00 59.36 59.59 2eei h GLU 70 Cb 0.51 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 2eei h GLU 70 CO -0.93 0.12 -0.32 0.93 0.07 0.00 0.00 179.01 178.88 2eei h GLU 71 N 0.18 0.35 0.05 1.06 4.39 0.30 -3.12 114.58 117.78 2eei h GLU 71 Ca 0.67 -0.14 -0.00 0.00 0.34 0.00 0.00 59.36 60.23 2eei h GLU 71 Cb 1.51 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 30.15 2eei h GLU 71 CO -0.70 0.63 -0.02 0.28 -1.16 0.00 0.00 179.01 178.04 2eei h VAL 72 N 0.30 0.00 -0.70 3.13 2.07 0.21 -2.92 116.25 118.34 2eei h VAL 72 Ca 0.04 -0.77 0.17 0.00 0.82 0.00 0.00 66.70 66.95 2eei h VAL 72 Cb 0.71 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.35 2eei h VAL 72 CO 0.05 0.00 -0.08 0.55 0.02 0.00 0.00 177.57 178.11 2eei n VAL 73 N -4.31 -0.29 -0.05 2.57 3.14 0.16 0.15 118.33 119.70 2eei n VAL 73 Ca -0.01 1.57 -0.12 0.00 -2.96 0.00 0.00 64.34 62.81 2eei n VAL 73 Cb 0.02 -2.23 -0.07 0.00 -1.06 0.00 0.00 33.84 30.51 2eei n VAL 73 CO 0.00 0.00 0.00 1.05 -6.46 0.00 0.00 176.83 171.42 2eei h GLU 74 N 0.00 0.31 0.00 1.45 4.11 -1.68 -1.80 114.58 116.97 2eei h GLU 74 Ca 0.38 -0.14 0.00 0.00 0.07 0.00 0.00 59.36 59.67 2eei h GLU 74 Cb 0.69 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.93 2eei h GLU 74 CO -0.69 0.64 0.02 1.63 0.07 0.00 0.00 179.01 180.68 2eei n LYS 75 N -4.65 0.12 -0.08 1.06 5.02 0.40 -0.36 118.16 119.68 2eei n LYS 75 Ca -0.06 0.61 -0.07 0.00 -2.02 0.00 0.00 58.31 56.78 2eei n LYS 75 Cb 0.30 -1.91 -0.02 0.00 -0.02 0.00 0.00 35.03 33.37 2eei n LYS 75 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2eei n VAL 76 N -2.14 1.45 -0.04 -0.18 0.31 0.22 -3.37 118.33 114.57 2eei n VAL 76 Ca -0.01 0.18 0.03 0.00 -0.01 0.00 0.00 64.34 64.53 2eei n VAL 76 Cb 0.05 -2.37 0.39 0.00 -0.91 0.00 0.00 33.84 31.00 2eei n VAL 76 CO 0.00 0.00 0.00 0.07 -1.32 0.00 0.00 176.83 175.58 2eei h LYS 77 N -1.00 0.63 -0.16 5.55 2.10 -1.14 -2.56 116.57 119.99 2eei h LYS 77 Ca -0.01 -0.04 -0.07 0.00 -2.00 0.00 0.00 60.65 58.52 2eei h LYS 77 Cb 0.69 -0.14 -0.00 0.00 -0.90 0.00 0.00 32.23 31.87 2eei h LYS 77 CO -0.01 0.42 -0.18 0.87 -2.00 0.00 0.00 179.45 178.55 2eei h LYS 78 N 0.65 0.41 -0.85 0.07 1.57 -0.91 -3.16 116.57 114.35 2eei h LYS 78 Ca 0.18 -0.23 0.33 0.00 -1.87 0.00 0.00 60.65 59.06 2eei h LYS 78 Cb -0.08 0.01 -0.13 0.00 0.08 0.00 0.00 32.23 32.12 2eei h LYS 78 CO -0.04 0.79 0.49 0.45 -0.57 0.00 0.00 179.45 180.58 2eei n SER 79 N -4.50 0.23 0.00 0.86 2.88 -0.96 -4.86 113.62 107.28 2eei n SER 79 Ca -0.06 1.19 0.00 0.00 -1.33 0.00 0.00 58.87 58.68 2eei n SER 79 Cb 0.39 -0.58 0.00 0.00 -0.75 0.00 0.00 64.21 63.27 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 -1.26 0.51 0.06 0.46 0.00 -1.20 -4.79 105.19 98.97 2eei n GLY 80 Ca 0.29 -0.93 -0.04 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 1.04 -4.41 1.61 7.64 -1.26 -4.85 113.62 113.39 2eei n SER 81 Ca 0.00 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.58 2eei n SER 81 Cb 0.00 1.11 -0.13 0.00 -1.01 0.00 0.00 64.21 64.18 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 -2.58 1.77 0.16 1.43 0.52 -1.26 -1.52 118.95 117.46 2eei s ARG 82 Ca -0.08 -1.15 0.02 0.00 -0.52 0.00 0.00 55.73 54.01 2eei s ARG 82 Cb 0.06 -2.04 -0.05 0.00 0.52 0.00 0.00 34.95 33.45 2eei s ARG 82 CO 0.67 0.50 -0.02 0.14 0.02 0.00 0.00 175.30 176.61 2eei s VAL 83 N -0.96 0.72 -0.22 3.52 -7.23 -0.41 -4.89 120.40 110.93 2eei s VAL 83 Ca 0.14 -1.98 -0.02 0.00 -1.81 0.00 0.00 61.98 58.32 2eei s VAL 83 Cb -0.10 -2.01 0.06 0.00 0.56 0.00 0.00 36.38 34.89 2eei s VAL 83 CO 0.05 -0.57 0.02 -0.32 -0.31 0.00 0.00 175.10 173.97 2eei s MET 84 N -3.89 0.91 -0.18 4.82 1.75 -1.26 -0.47 119.30 120.98 2eei s MET 84 Ca 0.21 -0.65 -0.08 0.00 -1.25 0.00 0.00 55.69 53.91 2eei s MET 84 Cb 0.06 -2.22 -0.05 0.00 2.84 0.00 0.00 34.83 35.46 2eei s MET 84 CO 0.02 -0.67 0.10 -0.06 -0.65 0.00 0.00 175.02 173.76 2eei s PHE 85 N 1.71 3.36 -0.28 4.11 0.08 -0.25 0.03 117.98 126.73 2eei s PHE 85 Ca -0.01 0.24 -0.00 0.00 0.12 0.00 0.00 56.93 57.28 2eei s PHE 85 Cb -0.18 -2.10 0.05 0.00 -0.57 0.00 0.00 43.02 40.23 2eei s PHE 85 CO -0.10 0.28 -0.04 -1.17 -0.10 0.00 0.00 175.22 174.09 2eei s LEU 86 N 0.21 3.70 0.38 -0.37 2.96 -1.02 -0.69 118.68 123.85 2eei s LEU 86 Ca 0.07 -1.30 0.04 0.00 -0.22 0.00 0.00 54.13 52.71 2eei s LEU 86 Cb -0.12 -1.65 -0.05 0.00 0.50 0.00 0.00 46.19 44.88 2eei s LEU 86 CO -0.01 -0.23 0.07 -0.76 -1.32 0.00 0.00 176.35 174.10 2eei s LEU 87 N 1.20 2.21 0.13 -0.68 1.02 -1.23 0.36 118.68 121.69 2eei s LEU 87 Ca -0.06 -1.50 0.10 0.00 0.02 0.00 0.00 54.13 52.68 2eei s LEU 87 Cb -0.20 -0.40 -0.04 0.00 0.02 0.00 0.00 46.19 45.58 2eei s LEU 87 CO -0.03 -0.72 -0.21 -0.69 0.02 0.00 0.00 176.35 174.72 2eei s VAL 88 N -3.16 2.62 0.54 -1.59 1.01 -1.26 -2.96 120.40 115.60 2eei s VAL 88 Ca 0.29 -1.66 -0.21 0.00 0.00 0.00 0.00 61.98 60.39 2eei s VAL 88 Cb 0.06 -2.20 -0.05 0.00 0.00 0.00 0.00 36.38 34.19 2eei s VAL 88 CO 0.14 0.06 1.30 -0.62 0.00 0.00 0.00 175.10 175.98 2eei s ASP 89 N -2.23 5.39 0.33 3.32 2.15 -1.26 -4.58 116.67 119.80 2eei s ASP 89 Ca 0.17 2.63 0.11 0.00 0.43 0.00 0.00 52.55 55.89 2eei s ASP 89 Cb -0.10 -2.62 0.56 0.00 -0.30 0.00 0.00 42.92 40.45 2eei s ASP 89 CO 0.09 -1.47 1.74 0.07 -0.17 0.00 0.00 175.17 175.42 2eei h LYS 90 N 1.46 0.05 -0.68 4.34 2.10 -1.90 -2.61 116.57 119.33 2eei h LYS 90 Ca -0.51 -0.02 -0.06 0.00 -2.00 0.00 0.00 60.65 58.06 2eei h LYS 90 Cb 1.29 -0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.59 2eei h LYS 90 CO 0.57 0.49 0.20 0.93 -2.00 0.00 0.00 179.45 179.64 2eei h GLU 91 N 0.04 1.06 0.10 0.07 5.08 -1.99 -3.18 114.58 115.76 2eei h GLU 91 Ca -0.00 -0.23 -0.00 0.00 -1.00 0.00 0.00 59.36 58.13 2eei h GLU 91 Cb 0.82 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.91 2eei h GLU 91 CO 0.06 0.92 -0.05 1.15 -1.00 0.00 0.00 179.01 180.09 2eei h THR 92 N 1.02 1.13 -0.73 1.13 2.02 -1.90 -3.45 112.91 112.12 2eei h THR 92 Ca 0.22 -1.20 -0.59 0.00 0.77 0.00 0.00 66.41 65.61 2eei h THR 92 Cb 0.31 1.85 0.03 0.00 -1.74 0.00 0.00 68.15 68.60 2eei h THR 92 CO -0.00 0.28 0.11 -0.67 0.37 0.00 0.00 175.52 175.60 2eei n ASP 93 N -4.89 0.12 -4.19 4.18 2.03 -1.00 -4.82 116.55 107.99 2eei n ASP 93 Ca -0.08 0.85 -0.44 0.00 0.52 0.00 0.00 54.79 55.64 2eei n ASP 93 Cb 0.28 -0.67 0.00 0.00 -0.72 0.00 0.00 41.12 40.02 2eei n ASP 93 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2eei n LYS 94 N 1.36 3.82 -2.32 -0.67 4.76 -1.26 -4.97 118.16 118.89 2eei n LYS 94 Ca 0.16 -4.25 -0.35 0.00 -2.87 0.00 0.00 58.31 51.00 2eei n LYS 94 Cb 0.04 -2.68 -0.04 0.00 -1.84 0.00 0.00 35.03 30.52 2eei n LYS 94 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 2eei s ARG 95 N -1.03 3.08 -1.13 1.97 3.52 -1.26 -4.90 118.95 119.20 2eei s ARG 95 Ca 0.34 -0.63 -0.12 0.00 -0.13 0.00 0.00 55.73 55.19 2eei s ARG 95 Cb -0.01 -5.12 0.22 0.00 -1.56 0.00 0.00 34.95 28.48 2eei s ARG 95 CO 0.00 -2.73 1.24 -1.58 -0.81 0.00 0.00 175.30 171.43 2eei s HIS 96 N 7.40 3.83 0.03 5.12 2.46 -1.26 -4.97 115.29 127.89 2eei s HIS 96 Ca 0.57 -2.32 -0.03 0.00 0.47 0.00 0.00 55.06 53.74 2eei s HIS 96 Cb -0.04 -4.08 -0.02 0.00 -0.13 0.00 0.00 32.58 28.31 2eei s HIS 96 CO -0.03 -1.19 0.04 0.14 -2.47 0.00 0.00 174.74 171.23 2eei s VAL 97 N 0.34 0.13 -0.30 0.89 -7.23 -1.26 -5.15 120.40 107.82 2eei s VAL 97 Ca 0.36 -1.09 -0.11 0.00 -1.81 0.00 0.00 61.98 59.32 2eei s VAL 97 Cb -0.06 -0.70 0.13 0.00 0.56 0.00 0.00 36.38 36.31 2eei s VAL 97 CO -0.04 -0.60 0.72 -0.70 -0.31 0.00 0.00 175.10 174.16 2eei s GLU 98 N -2.24 0.53 0.66 4.82 2.12 -1.26 -5.16 118.70 118.17 2eei s GLU 98 Ca -0.08 1.31 -0.18 0.00 0.36 0.00 0.00 54.97 56.38 2eei s GLU 98 Cb -0.04 0.76 -0.01 0.00 0.26 0.00 0.00 34.13 35.10 2eei s GLU 98 CO -0.03 -0.18 1.28 0.94 -0.54 0.00 0.00 175.26 176.73 2eei n GLN 99 N 5.29 1.06 -1.72 4.30 7.27 -1.26 -4.90 117.38 127.42 2eei n GLN 99 Ca -0.12 0.42 -0.42 0.00 0.07 0.00 0.00 57.00 56.95 2eei n GLN 99 Cb 0.50 -2.52 -0.02 0.00 2.41 0.00 0.00 30.24 30.61 2eei n GLN 99 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 2eei n LYS 100 N -1.96 2.65 -1.51 3.69 0.00 -1.26 -4.82 118.16 114.96 2eei n LYS 100 Ca 0.16 0.95 -0.45 0.00 0.00 0.00 0.00 58.31 58.97 2eei n LYS 100 Cb 0.48 -2.75 -0.06 0.00 0.00 0.00 0.00 35.03 32.70 2eei n LYS 100 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2eei n SER 101 N 3.02 2.20 -4.24 3.14 2.88 -1.26 -4.89 113.62 114.47 2eei n SER 101 Ca 0.13 0.12 -0.43 0.00 -1.33 0.00 0.00 58.87 57.36 2eei n SER 101 Cb 0.35 -1.36 -0.06 0.00 -0.75 0.00 0.00 64.21 62.39 2eei n SER 101 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2eei s GLY 102 N 8.90 2.45 -0.08 0.46 0.00 -1.26 -5.05 107.32 112.74 2eei s GLY 102 Ca 1.08 -3.09 -0.30 0.00 0.00 0.00 0.00 44.72 42.42 2eei s GLY 102 CO 0.41 1.18 1.51 2.56 0.00 0.00 0.00 173.10 178.76 2eei s PRO 103 N 0.45 4.21 -0.27 2.90 0.04 -1.26 -4.98 135.00 136.08 2eei s PRO 103 Ca 0.14 2.01 -0.02 0.00 0.04 0.00 0.00 61.00 63.17 2eei s PRO 103 Cb -0.18 -3.87 0.16 0.00 0.04 0.00 0.00 34.50 30.66 2eei s PRO 103 CO -0.05 -0.77 0.50 0.45 0.04 0.00 0.00 177.00 177.17 2eei s SER 104 N 2.75 -0.64 0.06 6.66 0.15 -1.26 -5.15 113.70 116.27 2eei s SER 104 Ca 0.67 0.59 -0.27 0.00 0.70 0.00 0.00 55.95 57.65 2eei s SER 104 Cb -0.30 1.69 -0.06 0.00 -1.71 0.00 0.00 66.02 65.65 2eei s SER 104 CO 0.25 -0.28 0.83 -0.94 1.20 0.00 0.00 173.24 174.30 2eei s SER 105 N 2.72 7.30 0.00 5.45 1.04 -1.26 -5.34 113.70 123.60 2eei s SER 105 Ca 0.17 1.55 0.00 0.00 0.48 0.00 0.00 55.95 58.15 2eei s SER 105 Cb -0.15 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.46 2eei s SER 105 CO -0.19 -0.01 0.00 0.61 0.98 0.00 0.00 173.24 174.63