#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 0.05 0.01 1.61 0.01 -1.26 -5.18 113.70 108.94 2eei s SER 2 Ca 0.00 -0.82 -0.09 0.00 1.31 0.00 0.00 55.95 56.35 2eei s SER 2 Cb 0.00 0.42 0.00 0.00 0.21 0.00 0.00 66.02 66.65 2eei s SER 2 CO 0.00 -0.86 0.17 -0.94 0.41 0.00 0.00 173.24 172.02 2eei s SER 3 N -2.95 -0.00 0.17 2.44 1.04 -1.26 -5.11 113.70 108.02 2eei s SER 3 Ca 0.15 -0.19 0.00 0.00 0.48 0.00 0.00 55.95 56.39 2eei s SER 3 Cb 0.04 0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.39 2eei s SER 3 CO -0.02 -0.41 0.00 0.61 0.98 0.00 0.00 173.24 174.40 2eei n GLY 4 N 1.30 -3.45 3.07 7.32 0.00 -1.26 -4.76 105.19 107.42 2eei n GLY 4 Ca -0.22 -1.04 -0.21 0.00 0.00 0.00 0.00 46.02 44.54 2eei n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2eei s SER 5 N -2.63 1.45 -0.12 1.61 0.15 -1.26 -5.12 113.70 107.78 2eei s SER 5 Ca 0.00 -0.22 -0.29 0.00 0.70 0.00 0.00 55.95 56.13 2eei s SER 5 Cb 0.00 -0.20 -0.01 0.00 -1.71 0.00 0.00 66.02 64.10 2eei s SER 5 CO 0.00 0.14 1.06 -0.55 1.20 0.00 0.00 173.24 175.09 2eei s SER 6 N -0.21 7.17 0.00 5.45 0.15 -1.26 -4.86 113.70 120.14 2eei s SER 6 Ca 0.03 1.56 0.00 0.00 0.70 0.00 0.00 55.95 58.24 2eei s SER 6 Cb -0.06 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 2eei s SER 6 CO -0.00 -0.53 0.00 0.61 1.20 0.00 0.00 173.24 174.52 2eei n GLY 7 N 3.21 0.62 0.52 9.45 0.00 -1.26 -5.03 105.19 112.70 2eei n GLY 7 Ca 0.10 0.27 -0.20 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.20 -7.37 1.61 5.75 -2.02 -3.44 115.11 108.44 2eei h GLN 8 Ca 0.00 0.08 -0.43 0.00 -0.15 0.00 0.00 58.65 58.15 2eei h GLN 8 Cb 0.00 0.27 0.18 0.00 1.07 0.00 0.00 27.48 29.00 2eei h GLN 8 CO 0.00 -0.80 0.16 -1.25 -2.65 0.00 0.00 178.83 174.29 2eei s PRO 9 N -5.96 -0.41 -0.21 -2.39 0.04 -1.26 -5.00 135.00 119.81 2eei s PRO 9 Ca -0.19 0.23 -0.05 0.00 0.04 0.00 0.00 61.00 61.02 2eei s PRO 9 Cb 0.03 -1.66 -0.02 0.00 0.04 0.00 0.00 34.50 32.88 2eei s PRO 9 CO 0.60 -3.23 0.00 0.50 0.04 0.00 0.00 177.00 174.92 2eei s ARG 10 N -5.17 3.59 -0.40 4.56 6.06 -1.07 -4.98 118.95 121.54 2eei s ARG 10 Ca 0.68 -0.53 -0.27 0.00 -2.50 0.00 0.00 55.73 53.11 2eei s ARG 10 Cb -0.15 -3.10 0.02 0.00 0.06 0.00 0.00 34.95 31.78 2eei s ARG 10 CO 0.57 -0.05 1.02 -1.17 -2.50 0.00 0.00 175.30 173.17 2eei s LEU 11 N 1.15 3.88 -0.56 -0.88 1.98 -1.26 -3.52 118.68 119.47 2eei s LEU 11 Ca 0.03 0.58 -0.16 0.00 -2.89 0.00 0.00 54.13 51.70 2eei s LEU 11 Cb -0.14 -3.39 0.14 0.00 0.66 0.00 0.00 46.19 43.45 2eei s LEU 11 CO 0.01 -1.00 0.52 0.00 -1.89 0.00 0.00 176.35 173.99 2eei s TYR 13 N 1.48 2.93 -0.00 0.00 5.04 -1.26 -1.63 117.35 123.91 2eei s TYR 13 Ca 0.04 0.55 -0.10 0.00 -2.44 0.00 0.00 57.07 55.13 2eei s TYR 13 Cb -0.28 -4.03 -0.05 0.00 0.35 0.00 0.00 41.96 37.94 2eei s TYR 13 CO 0.02 -1.09 0.32 -0.51 -1.34 0.00 0.00 175.55 172.95 2eei s LEU 14 N 3.89 4.40 -0.03 6.97 2.01 -1.03 -4.68 118.68 130.21 2eei s LEU 14 Ca 0.40 0.74 0.01 0.00 0.01 0.00 0.00 54.13 55.29 2eei s LEU 14 Cb -0.10 -2.61 0.02 0.00 0.01 0.00 0.00 46.19 43.51 2eei s LEU 14 CO 0.26 0.29 -0.01 -0.69 1.01 0.00 0.00 176.35 177.21 2eei s VAL 15 N -1.20 0.25 -0.54 -1.59 1.01 -1.26 -2.02 120.40 115.05 2eei s VAL 15 Ca 0.25 0.02 -0.26 0.00 0.00 0.00 0.00 61.98 61.99 2eei s VAL 15 Cb -0.14 -0.31 -0.07 0.00 0.00 0.00 0.00 36.38 35.86 2eei s VAL 15 CO 0.13 0.15 2.31 -0.54 0.00 0.00 0.00 175.10 177.15 2eei s LYS 16 N 0.82 2.15 -0.17 2.72 1.02 -1.05 -4.76 119.74 120.49 2eei s LYS 16 Ca -0.09 1.18 -0.16 0.00 0.02 0.00 0.00 55.97 56.92 2eei s LYS 16 Cb -0.12 -4.58 -0.05 0.00 -0.52 0.00 0.00 37.83 32.56 2eei s LYS 16 CO -0.01 -3.28 -0.32 0.39 -0.92 0.00 0.00 175.35 171.21 2eei n GLU 17 N 9.03 0.49 -4.45 1.68 -0.58 -1.26 -5.01 120.64 120.53 2eei n GLU 17 Ca 0.35 0.20 -0.22 0.00 -0.42 0.00 0.00 57.16 57.07 2eei n GLU 17 Cb 0.53 -1.36 -0.16 0.00 -0.57 0.00 0.00 31.44 29.88 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 -4.74 0.63 0.00 0.62 0.00 -1.26 -5.06 107.32 97.51 2eei s GLY 18 Ca -0.26 -0.34 0.00 0.00 0.00 0.00 0.00 44.72 44.12 2eei s GLY 18 CO 0.39 0.05 0.00 0.61 0.00 0.00 0.00 173.10 174.15 2eei n GLY 19 N 3.57 1.20 3.93 0.20 0.00 -1.26 -4.35 105.19 108.49 2eei n GLY 19 Ca -0.21 0.49 -0.25 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.99 5.56 0.00 1.61 0.01 -1.26 -5.05 113.70 111.58 2eei s SER 20 Ca 0.00 0.49 0.00 0.00 1.31 0.00 0.00 55.95 57.75 2eei s SER 20 Cb 0.00 -1.51 0.00 0.00 0.21 0.00 0.00 66.02 64.72 2eei s SER 20 CO 0.00 -1.01 0.62 -1.22 0.41 0.00 0.00 173.24 172.03 2eei n TYR 21 N -2.44 0.00 0.00 2.43 4.01 -1.26 -4.82 117.16 115.08 2eei n TYR 21 Ca 0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.78 2eei n TYR 21 Cb 0.58 -0.39 0.00 0.00 -0.31 0.00 0.00 39.34 39.22 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 0.03 2.08 3.59 2.72 0.00 -1.26 -2.53 105.19 109.82 2eei n GLY 22 Ca 0.00 -0.20 -0.29 0.00 0.00 0.00 0.00 46.02 45.53 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 0.00 1.22 0.05 1.61 -0.12 -1.26 -2.64 117.98 116.84 2eei s PHE 23 Ca 0.00 0.79 0.01 0.00 -0.05 0.00 0.00 56.93 57.68 2eei s PHE 23 Cb 0.00 -3.28 -0.03 0.00 -0.63 0.00 0.00 43.02 39.07 2eei s PHE 23 CO 0.00 -3.56 -0.05 -1.12 -0.05 0.00 0.00 175.22 170.44 2eei s SER 24 N -3.47 0.66 0.05 1.98 0.01 0.44 -4.89 113.70 108.48 2eei s SER 24 Ca 0.68 -0.74 0.08 0.00 1.31 0.00 0.00 55.95 57.28 2eei s SER 24 Cb -0.16 0.11 -0.03 0.00 0.21 0.00 0.00 66.02 66.15 2eei s SER 24 CO 0.58 -0.38 -0.23 -0.76 0.41 0.00 0.00 173.24 172.86 2eei s LEU 25 N -2.19 2.19 -0.27 2.44 1.43 -1.26 -2.56 118.68 118.46 2eei s LEU 25 Ca -0.03 -0.57 -0.23 0.00 -1.03 0.00 0.00 54.13 52.27 2eei s LEU 25 Cb -0.02 -1.07 0.08 0.00 0.03 0.00 0.00 46.19 45.20 2eei s LEU 25 CO -0.04 0.18 0.73 -1.59 0.23 0.00 0.00 176.35 175.87 2eei s LYS 26 N -1.30 0.79 -0.17 1.70 -2.85 -1.25 -4.98 119.74 111.68 2eei s LYS 26 Ca 0.09 1.02 -0.06 0.00 -1.00 0.00 0.00 55.97 56.02 2eei s LYS 26 Cb -0.09 0.34 -0.04 0.00 -2.06 0.00 0.00 37.83 35.98 2eei s LYS 26 CO 0.02 -0.11 0.02 0.95 0.10 0.00 0.00 175.35 176.34 2eei s THR 27 N 0.66 4.42 -0.24 3.79 -4.23 -1.26 -3.73 115.64 115.04 2eei s THR 27 Ca -0.02 -0.17 -0.10 0.00 -1.18 0.00 0.00 61.69 60.22 2eei s THR 27 Cb -0.05 -2.97 -0.05 0.00 1.34 0.00 0.00 72.50 70.77 2eei s THR 27 CO -0.04 0.48 0.16 -0.69 -0.54 0.00 0.00 174.62 173.99 2eei s VAL 28 N 0.31 5.34 0.30 2.29 1.01 -1.26 -4.98 120.40 123.42 2eei s VAL 28 Ca 0.00 0.17 0.06 0.00 0.00 0.00 0.00 61.98 62.22 2eei s VAL 28 Cb -0.13 -3.49 0.30 0.00 0.00 0.00 0.00 36.38 33.05 2eei s VAL 28 CO 0.01 0.34 1.70 0.06 0.00 0.00 0.00 175.10 177.22 2eei h GLN 29 N 7.56 0.43 -1.25 2.72 -0.00 -1.98 0.34 115.11 122.92 2eei h GLN 29 Ca -0.38 -0.03 -0.10 0.00 -0.00 0.00 0.00 58.65 58.14 2eei h GLN 29 Cb 1.17 -0.10 -0.05 0.00 -0.00 0.00 0.00 27.48 28.50 2eei h GLN 29 CO 0.65 0.29 0.13 0.41 -0.00 0.00 0.00 178.83 180.30 2eei n GLY 30 N -1.33 2.65 2.72 0.06 0.00 -1.26 -4.83 105.19 103.20 2eei n GLY 30 Ca 0.24 -0.26 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 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 0.47 0.72 -4.47 1.61 5.02 0.12 -5.17 118.16 116.46 2eei n LYS 31 Ca 0.11 -1.87 -0.23 0.00 -2.02 0.00 0.00 58.31 54.30 2eei n LYS 31 Cb 0.65 2.08 -0.16 0.00 -0.02 0.00 0.00 35.03 37.58 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 -2.30 1.40 0.66 1.97 1.02 -1.26 -4.80 119.74 116.43 2eei s LYS 32 Ca 0.16 -0.33 0.00 0.00 0.02 0.00 0.00 55.97 55.82 2eei s LYS 32 Cb -0.02 -1.21 0.00 0.00 -0.52 0.00 0.00 37.83 36.08 2eei s LYS 32 CO 0.12 0.02 0.00 0.41 -0.92 0.00 0.00 175.35 174.98 2eei n GLY 33 N 3.77 -2.18 3.51 -3.33 0.00 -1.25 -4.81 105.19 100.91 2eei n GLY 33 Ca -0.23 -1.52 -0.24 0.00 0.00 0.00 0.00 46.02 44.03 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 -0.27 2.56 -0.08 1.61 0.11 -1.25 -4.46 120.40 118.63 2eei s VAL 34 Ca 0.00 -2.30 -0.23 0.00 -2.93 0.00 0.00 61.98 56.52 2eei s VAL 34 Cb 0.00 -2.44 0.05 0.00 -1.53 0.00 0.00 36.38 32.46 2eei s VAL 34 CO 0.00 -0.36 0.54 -0.72 -3.33 0.00 0.00 175.10 171.23 2eei s TYR 35 N -2.50 -0.50 0.22 1.54 -0.85 -1.24 -2.22 117.35 111.79 2eei s TYR 35 Ca 0.31 0.94 -0.32 0.00 -0.52 0.00 0.00 57.07 57.48 2eei s TYR 35 Cb -0.04 0.27 -0.12 0.00 0.38 0.00 0.00 41.96 42.45 2eei s TYR 35 CO 0.16 -0.47 1.71 -1.64 -1.52 0.00 0.00 175.55 173.79 2eei s MET 36 N -0.90 4.12 0.00 -3.49 -1.94 -1.01 -3.82 119.30 112.26 2eei s MET 36 Ca -0.09 2.62 0.00 0.00 -1.71 0.00 0.00 55.69 56.50 2eei s MET 36 Cb -0.03 -3.06 0.00 0.00 2.01 0.00 0.00 34.83 33.75 2eei s MET 36 CO 0.06 -0.74 0.00 -2.37 -0.01 0.00 0.00 175.02 171.96 2eei n THR 37 N 3.72 0.00 -3.81 2.05 5.66 -1.06 0.12 114.28 120.96 2eei n THR 37 Ca 0.15 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.78 2eei n THR 37 Cb 0.35 -1.08 -0.13 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 -4.58 5.01 -0.81 1.09 2.15 -1.26 -4.31 116.67 113.96 2eei s ASP 38 Ca 0.00 -0.94 -0.04 0.00 0.43 0.00 0.00 52.55 52.00 2eei s ASP 38 Cb 0.00 -1.82 0.20 0.00 -0.30 0.00 0.00 42.92 41.01 2eei s ASP 38 CO 0.00 -0.23 0.68 -0.63 -0.17 0.00 0.00 175.17 174.82 2eei s ILE 39 N 1.41 4.34 0.14 4.11 -1.09 -1.26 -0.42 121.20 128.42 2eei s ILE 39 Ca -0.00 -3.40 -0.28 0.00 -2.23 0.00 0.00 60.65 54.73 2eei s ILE 39 Cb -0.18 -3.72 -0.16 0.00 -1.58 0.00 0.00 42.46 36.81 2eei s ILE 39 CO 0.01 -1.01 0.60 0.41 -1.23 0.00 0.00 174.94 173.71 2eei n THR 40 N 2.90 1.42 -1.54 2.92 -1.04 -1.08 -4.78 114.28 113.08 2eei n THR 40 Ca 0.16 -0.35 -0.32 0.00 -2.04 0.00 0.00 64.05 61.50 2eei n THR 40 Cb 0.38 0.00 0.07 0.00 -1.82 0.00 0.00 70.33 68.96 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 -0.71 2.56 -1.11 -2.82 0.04 -1.26 -3.39 135.00 128.32 2eei s PRO 41 Ca 0.65 1.29 -0.14 0.00 0.04 0.00 0.00 61.00 62.84 2eei s PRO 41 Cb -0.93 -1.93 0.14 0.00 0.04 0.00 0.00 34.50 31.82 2eei s PRO 41 CO 0.52 -1.42 0.35 1.04 0.04 0.00 0.00 177.00 177.53 2eei n GLN 42 N -2.91 -1.27 -2.80 4.56 6.02 -1.26 -4.86 117.38 114.87 2eei n GLN 42 Ca 0.10 0.08 -0.15 0.00 -0.01 0.00 0.00 57.00 57.02 2eei n GLN 42 Cb 0.52 -3.74 0.01 0.00 1.02 0.00 0.00 30.24 28.05 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 -0.80 2.73 0.35 1.08 0.00 -1.22 -4.97 105.19 102.35 2eei n GLY 43 Ca 0.07 -2.24 0.01 0.00 0.00 0.00 0.00 46.02 43.86 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 0.52 1.19 0.03 1.61 2.07 -1.80 -2.14 116.25 117.72 2eei h VAL 44 Ca -0.20 -0.36 -0.00 0.00 0.82 0.00 0.00 66.70 66.96 2eei h VAL 44 Cb 0.77 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 2eei h VAL 44 CO 0.32 0.19 -0.01 0.00 0.02 0.00 0.00 177.57 178.08 2eei h ALA 45 N 1.53 -0.55 -1.18 1.67 0.00 -1.86 -2.21 119.26 116.66 2eei h ALA 45 Ca 0.27 -0.01 0.34 0.00 0.00 0.00 0.00 54.91 55.51 2eei h ALA 45 Cb -0.11 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 2eei h ALA 45 CO -0.06 -0.55 1.12 1.98 0.00 0.00 0.00 179.25 181.75 2eei h MET 46 N -0.06 0.00 0.11 0.00 -1.53 -1.72 1.62 114.93 113.35 2eei h MET 46 Ca -0.00 0.00 -0.28 0.00 -3.44 0.00 0.00 59.70 55.98 2eei h MET 46 Cb 0.03 0.00 0.02 0.00 -0.55 0.00 0.00 31.60 31.09 2eei h MET 46 CO 0.01 0.00 -1.19 -0.09 0.14 0.00 0.00 176.91 175.77 2eei h ARG 47 N 0.00 0.45 0.00 0.39 9.65 -1.36 -3.20 114.38 120.32 2eei h ARG 47 Ca 0.56 -0.63 -0.01 0.00 -1.10 0.00 0.00 59.98 58.80 2eei h ARG 47 Cb 2.80 0.21 -0.00 0.00 -1.39 0.00 0.00 29.97 31.59 2eei h ARG 47 CO -0.01 1.27 -0.03 0.00 2.80 0.00 0.00 179.97 184.00 2eei h ALA 48 N 0.48 1.02 -0.03 2.80 0.00 0.30 -3.46 119.26 120.37 2eei h ALA 48 Ca -0.15 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2eei h ALA 48 Cb 1.87 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.66 2eei h ALA 48 CO 0.21 0.03 0.00 0.41 0.00 0.00 0.00 179.25 179.91 2eei n GLY 49 N -0.18 1.45 3.48 0.00 0.00 -0.87 -4.48 105.19 104.59 2eei n GLY 49 Ca -0.00 -0.05 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.03 3.65 0.38 1.61 0.11 -1.23 -4.89 120.40 117.99 2eei s VAL 50 Ca 0.00 -0.45 0.07 0.00 -2.93 0.00 0.00 61.98 58.67 2eei s VAL 50 Cb 0.00 -2.57 -0.01 0.00 -1.53 0.00 0.00 36.38 32.27 2eei s VAL 50 CO 0.00 0.52 0.45 -1.48 -3.33 0.00 0.00 175.10 171.25 2eei s LEU 51 N 0.20 3.69 0.78 2.54 0.05 -1.26 -4.32 118.68 120.36 2eei s LEU 51 Ca -0.04 -0.42 -0.11 0.00 0.05 0.00 0.00 54.13 53.61 2eei s LEU 51 Cb -0.14 -2.48 0.06 0.00 -2.05 0.00 0.00 46.19 41.58 2eei s LEU 51 CO 0.03 -0.56 1.09 0.00 -0.55 0.00 0.00 176.35 176.36 2eei s ALA 52 N -2.31 2.23 -1.24 1.48 0.00 -1.26 -4.05 121.76 116.60 2eei s ALA 52 Ca 0.48 -0.02 -0.00 0.00 0.00 0.00 0.00 51.96 52.41 2eei s ALA 52 Cb -0.08 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 19.87 2eei s ALA 52 CO 0.30 -1.72 0.90 -0.25 0.00 0.00 0.00 175.76 174.99 2eei n ASP 53 N -3.45 -1.86 -4.21 0.00 8.00 0.33 -4.80 116.55 110.55 2eei n ASP 53 Ca 0.07 -0.69 -0.37 0.00 0.71 0.00 0.00 54.79 54.51 2eei n ASP 53 Cb 0.55 -4.75 -0.12 0.00 -0.02 0.00 0.00 41.12 36.78 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 -4.33 5.27 -0.65 -2.24 1.01 -0.93 -4.51 116.67 110.28 2eei s ASP 54 Ca 0.02 -1.48 -0.28 0.00 0.71 0.00 0.00 52.55 51.52 2eei s ASP 54 Cb -0.01 -1.85 -0.12 0.00 1.01 0.00 0.00 42.92 41.95 2eei s ASP 54 CO 0.76 -0.41 2.50 1.57 0.21 0.00 0.00 175.17 179.80 2eei n HIS 55 N 4.73 1.15 -1.68 4.23 -0.00 -1.26 -2.41 115.22 119.98 2eei n HIS 55 Ca -0.09 0.22 -0.51 0.00 0.46 0.00 0.00 57.72 57.79 2eei n HIS 55 Cb 0.43 -2.55 -0.05 0.00 -0.12 0.00 0.00 29.99 27.70 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 13.68 2.87 -0.11 0.27 7.94 -0.94 -4.27 117.00 136.44 2eei n LEU 56 Ca 0.47 1.04 -0.24 0.00 -1.11 0.00 0.00 56.01 56.17 2eei n LEU 56 Cb 0.35 -1.30 -0.11 0.00 0.53 0.00 0.00 43.42 42.89 2eei n LEU 56 CO 0.79 -0.33 -0.83 -0.38 -1.11 0.00 0.00 177.39 175.54 2eei n ILE 57 N 4.33 1.55 -3.83 1.96 2.08 0.47 -4.19 119.36 121.73 2eei n ILE 57 Ca 0.22 -0.18 -0.06 0.00 0.56 0.00 0.00 62.75 63.28 2eei n ILE 57 Cb 0.24 -1.96 -0.00 0.00 -0.75 0.00 0.00 39.64 37.16 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 -2.42 1.73 -0.05 0.38 -1.05 -1.21 -1.84 118.70 114.24 2eei s GLU 58 Ca -0.31 -1.01 -0.02 0.00 -0.15 0.00 0.00 54.97 53.47 2eei s GLU 58 Cb 0.09 0.55 0.03 0.00 -0.44 0.00 0.00 34.13 34.36 2eei s GLU 58 CO 0.58 -0.80 0.06 0.08 0.95 0.00 0.00 175.26 176.12 2eei s VAL 59 N -3.24 -0.06 -1.74 1.83 1.01 -0.88 -2.71 120.40 114.61 2eei s VAL 59 Ca 0.13 0.38 0.00 0.00 0.00 0.00 0.00 61.98 62.49 2eei s VAL 59 Cb -0.04 -0.21 0.00 0.00 0.00 0.00 0.00 36.38 36.13 2eei s VAL 59 CO 0.07 0.17 0.00 -3.20 0.00 0.00 0.00 175.10 172.14 2eei n ASN 60 N 5.28 -5.38 -0.18 3.32 2.85 0.86 -2.17 115.26 119.83 2eei n ASN 60 Ca -0.04 0.15 0.00 0.00 -0.11 0.00 0.00 54.58 54.58 2eei n ASN 60 Cb 0.50 -4.47 0.00 0.00 1.24 0.00 0.00 39.78 37.05 2eei n ASN 60 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2eei n GLY 61 N -0.90 0.82 2.79 8.20 0.00 -1.26 -4.91 105.19 109.92 2eei n GLY 61 Ca -0.21 -0.64 -0.29 0.00 0.00 0.00 0.00 46.02 44.88 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 -3.69 0.91 -0.36 1.61 2.02 -0.92 -4.86 118.70 113.41 2eei s GLU 62 Ca 0.00 -0.78 -0.36 0.00 0.02 0.00 0.00 54.97 53.85 2eei s GLU 62 Cb 0.00 -2.21 -0.12 0.00 0.10 0.00 0.00 34.13 31.91 2eei s GLU 62 CO 0.00 -0.74 2.18 0.09 0.02 0.00 0.00 175.26 176.81 2eei n ASN 63 N 4.89 2.04 -0.20 -0.19 4.13 -1.26 -2.07 115.26 122.60 2eei n ASN 63 Ca -0.07 0.44 0.08 0.00 1.68 0.00 0.00 54.58 56.71 2eei n ASN 63 Cb 0.45 -1.24 0.11 0.00 -1.54 0.00 0.00 39.78 37.57 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 7.11 1.50 -0.31 2.41 0.24 -0.77 -4.80 118.33 123.71 2eei n VAL 64 Ca 0.42 -1.84 0.13 0.00 -2.04 0.00 0.00 64.34 61.01 2eei n VAL 64 Cb 0.21 -0.08 0.31 0.00 -1.47 0.00 0.00 33.84 32.81 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 0.05 0.41 -0.98 7.34 3.07 -1.60 -0.70 114.58 122.18 2eei h GLU 65 Ca -0.00 -0.02 -0.59 0.00 -0.50 0.00 0.00 59.36 58.25 2eei h GLU 65 Cb 1.09 -0.09 -0.40 0.00 -0.84 0.00 0.00 28.75 28.51 2eei h GLU 65 CO 0.00 0.27 -0.46 -0.40 -1.40 0.00 0.00 179.01 177.02 2eei n ASP 66 N -5.02 5.43 -4.57 1.42 5.68 -1.26 -3.78 116.55 114.45 2eei n ASP 66 Ca 0.22 -3.75 -0.34 0.00 -0.50 0.00 0.00 54.79 50.42 2eei n ASP 66 Cb 0.65 -0.49 -0.11 0.00 -1.14 0.00 0.00 41.12 40.02 2eei n ASP 66 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2eei s ALA 67 N -3.65 2.96 0.53 2.12 0.00 -0.27 -4.77 121.76 118.68 2eei s ALA 67 Ca 0.53 -0.89 -0.21 0.00 0.00 0.00 0.00 51.96 51.39 2eei s ALA 67 Cb 0.42 -1.23 -0.06 0.00 0.00 0.00 0.00 23.12 22.26 2eei s ALA 67 CO -0.03 0.55 1.17 -1.12 0.00 0.00 0.00 175.76 176.33 2eei s SER 68 N -0.74 5.74 0.26 0.00 0.01 -1.26 -3.81 113.70 113.90 2eei s SER 68 Ca 0.11 2.29 -0.07 0.00 1.31 0.00 0.00 55.95 59.60 2eei s SER 68 Cb -0.11 -2.59 0.48 0.00 0.21 0.00 0.00 66.02 64.00 2eei s SER 68 CO 0.01 -1.21 1.59 -0.74 0.41 0.00 0.00 173.24 173.30 2eei h HIS 69 N 1.43 -0.28 -0.90 2.43 2.76 -1.97 0.62 115.15 119.23 2eei h HIS 69 Ca -0.50 0.07 0.16 0.00 -2.20 0.00 0.00 60.37 57.90 2eei h HIS 69 Cb 1.27 0.26 -0.10 0.00 1.55 0.00 0.00 27.41 30.39 2eei h HIS 69 CO 0.51 -0.36 0.50 1.05 -1.30 0.00 0.00 177.93 178.33 2eei h GLU 70 N 0.03 0.67 -0.19 5.26 4.11 -1.99 0.56 114.58 123.03 2eei h GLU 70 Ca 0.46 -0.04 -0.06 0.00 0.07 0.00 0.00 59.36 59.79 2eei h GLU 70 Cb 0.79 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 2eei h GLU 70 CO -0.85 0.44 -0.13 0.93 0.07 0.00 0.00 179.01 179.47 2eei h GLU 71 N 0.69 0.30 0.00 1.06 5.08 -0.11 -2.79 114.58 118.80 2eei h GLU 71 Ca 0.50 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.78 2eei h GLU 71 Cb 0.71 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.92 2eei h GLU 71 CO -0.36 0.44 -0.07 0.28 -1.00 0.00 0.00 179.01 178.29 2eei h VAL 72 N 0.28 0.00 -0.81 3.13 2.07 -0.07 -2.97 116.25 117.88 2eei h VAL 72 Ca 0.06 -0.51 0.31 0.00 0.82 0.00 0.00 66.70 67.38 2eei h VAL 72 Cb 0.41 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.03 2eei h VAL 72 CO 0.02 0.00 0.33 0.55 0.02 0.00 0.00 177.57 178.50 2eei n VAL 73 N -3.43 -0.34 -0.04 2.57 3.14 0.16 0.18 118.33 120.57 2eei n VAL 73 Ca -0.01 1.68 -0.15 0.00 -2.96 0.00 0.00 64.34 62.90 2eei n VAL 73 Cb 0.04 -2.65 -0.08 0.00 -1.06 0.00 0.00 33.84 30.08 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 0.46 -0.00 1.45 4.11 -1.65 -2.31 114.58 116.64 2eei h GLU 74 Ca 0.64 -0.34 0.00 0.00 0.07 0.00 0.00 59.36 59.73 2eei h GLU 74 Cb 1.62 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.93 2eei h GLU 74 CO -0.66 0.96 0.04 0.87 0.07 0.00 0.00 179.01 180.30 2eei h LYS 75 N 0.05 0.00 0.00 1.06 1.57 0.20 0.92 116.57 120.38 2eei h LYS 75 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2eei h LYS 75 Cb 1.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.31 2eei h LYS 75 CO 0.08 0.00 -0.30 0.28 -0.57 0.00 0.00 179.45 178.94 2eei h VAL 76 N 0.00 0.00 -0.28 0.50 2.07 -0.96 -3.04 116.25 114.54 2eei h VAL 76 Ca 0.00 -0.79 0.08 0.00 0.82 0.00 0.00 66.70 66.81 2eei h VAL 76 Cb 0.08 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.84 2eei h VAL 76 CO -0.00 0.00 0.24 0.07 0.02 0.00 0.00 177.57 177.90 2eei h LYS 77 N -0.79 0.00 -0.00 1.57 2.10 -1.30 -2.03 116.57 116.12 2eei h LYS 77 Ca 0.00 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.63 2eei h LYS 77 Cb 0.30 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.63 2eei h LYS 77 CO 0.00 0.00 -0.06 0.87 -2.00 0.00 0.00 179.45 178.26 2eei h LYS 78 N 0.00 0.05 -0.68 0.07 1.57 -0.98 -3.29 116.57 113.31 2eei h LYS 78 Ca 0.13 -0.05 0.24 0.00 -1.87 0.00 0.00 60.65 59.10 2eei h LYS 78 Cb 0.61 0.01 -0.12 0.00 0.08 0.00 0.00 32.23 32.81 2eei h LYS 78 CO -0.00 0.81 0.19 0.45 -0.57 0.00 0.00 179.45 180.33 2eei n SER 79 N -4.66 0.08 0.00 0.86 2.88 -0.76 -4.84 113.62 107.18 2eei n SER 79 Ca -0.09 1.13 0.00 0.00 -1.33 0.00 0.00 58.87 58.58 2eei n SER 79 Cb 0.41 -0.48 0.00 0.00 -0.75 0.00 0.00 64.21 63.38 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 1.09 0.00 0.46 0.00 -1.24 -4.85 105.19 99.40 2eei n GLY 80 Ca 0.21 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.90 2eei n GLY 80 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2eei n SER 81 N 0.00 1.60 -4.59 1.61 2.88 -1.26 -4.92 113.62 108.93 2eei n SER 81 Ca 0.00 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.23 2eei n SER 81 Cb 0.00 0.05 -0.10 0.00 -0.75 0.00 0.00 64.21 63.41 2eei n SER 81 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2eei s ARG 82 N -1.37 2.38 0.26 -1.46 0.52 -1.26 -2.52 118.95 115.50 2eei s ARG 82 Ca 0.00 -0.85 0.03 0.00 -0.52 0.00 0.00 55.73 54.38 2eei s ARG 82 Cb 0.00 -2.42 -0.03 0.00 0.52 0.00 0.00 34.95 33.02 2eei s ARG 82 CO 0.00 0.56 0.21 0.14 0.02 0.00 0.00 175.30 176.23 2eei s VAL 83 N -1.10 0.00 -0.26 3.52 -7.23 -0.86 -4.90 120.40 109.58 2eei s VAL 83 Ca 0.19 -1.98 -0.01 0.00 -1.81 0.00 0.00 61.98 58.37 2eei s VAL 83 Cb -0.11 -2.50 0.08 0.00 0.56 0.00 0.00 36.38 34.41 2eei s VAL 83 CO 0.11 0.00 0.04 -0.32 -0.31 0.00 0.00 175.10 174.61 2eei s MET 84 N -3.80 0.96 -0.26 4.82 1.75 -1.26 -2.46 119.30 119.06 2eei s MET 84 Ca 0.39 -0.89 -0.12 0.00 -1.25 0.00 0.00 55.69 53.83 2eei s MET 84 Cb 0.05 -2.24 -0.05 0.00 2.84 0.00 0.00 34.83 35.43 2eei s MET 84 CO 0.20 -0.78 0.23 -0.06 -0.65 0.00 0.00 175.02 173.96 2eei s PHE 85 N 1.60 3.28 -0.21 4.11 0.08 -0.65 -0.10 117.98 126.09 2eei s PHE 85 Ca 0.02 0.26 -0.04 0.00 0.12 0.00 0.00 56.93 57.30 2eei s PHE 85 Cb -0.18 -2.39 -0.01 0.00 -0.57 0.00 0.00 43.02 39.87 2eei s PHE 85 CO -0.14 -0.07 -0.04 -1.17 -0.10 0.00 0.00 175.22 173.70 2eei s LEU 86 N 1.51 3.00 0.30 -0.37 2.96 -1.10 -0.90 118.68 124.09 2eei s LEU 86 Ca 0.10 -0.32 0.02 0.00 -0.22 0.00 0.00 54.13 53.70 2eei s LEU 86 Cb -0.15 -1.76 -0.02 0.00 0.50 0.00 0.00 46.19 44.76 2eei s LEU 86 CO 0.08 0.02 0.32 -0.76 -1.32 0.00 0.00 176.35 174.69 2eei s LEU 87 N 1.23 1.34 0.11 -0.68 1.02 -1.23 -0.40 118.68 120.07 2eei s LEU 87 Ca 0.03 -1.56 0.09 0.00 0.02 0.00 0.00 54.13 52.71 2eei s LEU 87 Cb -0.14 0.86 -0.04 0.00 0.02 0.00 0.00 46.19 46.89 2eei s LEU 87 CO -0.01 -1.09 -0.20 -0.69 0.02 0.00 0.00 176.35 174.38 2eei s VAL 88 N -3.50 2.70 -0.09 -1.59 1.01 -1.26 -2.59 120.40 115.08 2eei s VAL 88 Ca 0.36 -1.53 -0.29 0.00 0.00 0.00 0.00 61.98 60.52 2eei s VAL 88 Cb 0.02 -2.22 -0.05 0.00 0.00 0.00 0.00 36.38 34.13 2eei s VAL 88 CO 0.21 0.12 1.71 -1.81 0.00 0.00 0.00 175.10 175.34 2eei s ASP 89 N -2.04 6.51 0.28 3.32 1.01 -1.26 -4.54 116.67 119.95 2eei s ASP 89 Ca 0.17 2.12 -0.02 0.00 0.71 0.00 0.00 52.55 55.53 2eei s ASP 89 Cb -0.10 -2.53 0.60 0.00 1.01 0.00 0.00 42.92 41.90 2eei s ASP 89 CO 0.09 -1.07 1.45 2.29 0.21 0.00 0.00 175.17 178.13 2eei n LYS 90 N 7.38 -0.08 -0.20 8.23 2.85 -1.26 0.11 118.16 135.19 2eei n LYS 90 Ca 0.19 1.41 0.01 0.00 -1.05 0.00 0.00 58.31 58.86 2eei n LYS 90 Cb 0.43 -2.19 0.11 0.00 -0.65 0.00 0.00 35.03 32.73 2eei n LYS 90 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 2eei h GLU 91 N 0.00 0.19 0.63 -1.58 5.08 -1.92 -1.13 114.58 115.85 2eei h GLU 91 Ca 0.52 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.84 2eei h GLU 91 Cb 0.98 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 30.19 2eei h GLU 91 CO -0.90 0.12 -0.30 1.15 -1.00 0.00 0.00 179.01 178.08 2eei h THR 92 N 0.19 0.29 -0.69 1.13 2.02 0.35 -3.22 112.91 112.98 2eei h THR 92 Ca 0.32 -0.24 0.10 0.00 0.77 0.00 0.00 66.41 67.36 2eei h THR 92 Cb 0.50 0.36 -0.12 0.00 -1.74 0.00 0.00 68.15 67.15 2eei h THR 92 CO -0.46 0.03 -0.44 -0.78 0.37 0.00 0.00 175.52 174.25 2eei h ASP 93 N -1.02 -1.53 -0.31 4.18 1.82 -0.94 -3.31 116.42 115.30 2eei h ASP 93 Ca -0.09 0.26 -0.02 0.00 -0.39 0.00 0.00 57.03 56.80 2eei h ASP 93 Cb 0.69 0.71 -0.01 0.00 0.68 0.00 0.00 39.33 41.41 2eei h ASP 93 CO 0.14 -0.32 0.11 1.17 -1.61 0.00 0.00 179.24 178.73 2eei n LYS 94 N -5.40 0.52 -0.00 0.28 4.81 -0.46 -4.73 118.16 113.17 2eei n LYS 94 Ca 0.03 -0.84 -0.17 0.00 -0.87 0.00 0.00 58.31 56.46 2eei n LYS 94 Cb 0.35 -3.58 -0.10 0.00 0.02 0.00 0.00 35.03 31.72 2eei n LYS 94 CO 0.00 0.00 0.00 0.07 1.17 0.00 0.00 177.40 178.64 2eei h ARG 95 N 12.57 0.50 -5.33 1.64 0.11 -1.82 -3.44 114.38 118.61 2eei h ARG 95 Ca 0.00 -0.49 -0.52 0.00 0.10 0.00 0.00 59.98 59.08 2eei h ARG 95 Cb 1.01 0.13 -0.05 0.00 1.11 0.00 0.00 29.97 32.16 2eei h ARG 95 CO 1.03 1.13 1.67 0.72 0.10 0.00 0.00 179.97 184.62 2eei n HIS 96 N -4.16 0.96 -1.31 4.08 8.25 -1.26 -4.73 115.22 117.05 2eei n HIS 96 Ca -0.10 0.31 -0.51 0.00 -0.26 0.00 0.00 57.72 57.16 2eei n HIS 96 Cb 0.68 -2.47 -0.07 0.00 1.12 0.00 0.00 29.99 29.25 2eei n HIS 96 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2eei n VAL 97 N 7.59 0.00 -4.34 1.59 0.31 -1.26 -4.93 118.33 117.29 2eei n VAL 97 Ca 0.54 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.58 2eei n VAL 97 Cb 0.21 -0.19 -0.17 0.00 -0.91 0.00 0.00 33.84 32.78 2eei n VAL 97 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2eei s GLU 98 N 1.15 2.31 -0.19 5.55 2.56 -1.26 -5.11 118.70 123.70 2eei s GLU 98 Ca 0.79 -0.58 -0.27 0.00 0.00 0.00 0.00 54.97 54.90 2eei s GLU 98 Cb -1.12 -2.00 0.09 0.00 2.00 0.00 0.00 34.13 33.10 2eei s GLU 98 CO 0.56 -0.11 0.81 -1.14 -0.56 0.00 0.00 175.26 174.82 2eei s GLN 99 N 1.13 0.80 -0.04 4.30 2.00 -1.26 -5.16 119.66 121.43 2eei s GLN 99 Ca -0.03 0.58 -0.00 0.00 -2.00 0.00 0.00 55.36 53.91 2eei s GLN 99 Cb -0.14 0.38 0.03 0.00 0.80 0.00 0.00 33.01 34.08 2eei s GLN 99 CO -0.04 -0.17 0.02 0.21 -0.50 0.00 0.00 175.29 174.80 2eei s LYS 100 N -0.32 0.23 -0.01 1.67 2.36 -1.26 -5.15 119.74 117.27 2eei s LYS 100 Ca -0.03 0.15 -0.07 0.00 -2.55 0.00 0.00 55.97 53.47 2eei s LYS 100 Cb -0.03 -0.53 0.00 0.00 -1.05 0.00 0.00 37.83 36.23 2eei s LYS 100 CO 0.02 -0.20 0.14 0.45 1.55 0.00 0.00 175.35 177.31 2eei s SER 101 N 1.37 -0.01 0.02 1.43 0.15 -1.26 -5.17 113.70 110.23 2eei s SER 101 Ca -0.05 -0.09 -0.05 0.00 0.70 0.00 0.00 55.95 56.46 2eei s SER 101 Cb -0.13 0.23 -0.01 0.00 -1.71 0.00 0.00 66.02 64.40 2eei s SER 101 CO -0.03 -0.30 0.08 -0.83 1.20 0.00 0.00 173.24 173.37 2eei s GLY 102 N -1.06 0.16 -0.16 9.45 0.00 -1.26 -5.12 107.32 109.33 2eei s GLY 102 Ca -0.11 -0.46 -0.29 0.00 0.00 0.00 0.00 44.72 43.86 2eei s GLY 102 CO 0.01 -0.58 1.57 2.56 0.00 0.00 0.00 173.10 176.66 2eei s PRO 103 N -2.10 4.00 -0.13 2.90 0.04 -1.26 -5.00 135.00 133.45 2eei s PRO 103 Ca -0.09 1.84 0.00 0.00 0.04 0.00 0.00 61.00 62.79 2eei s PRO 103 Cb -0.04 -3.97 -0.01 0.00 0.04 0.00 0.00 34.50 30.52 2eei s PRO 103 CO -0.02 -1.04 -0.15 0.45 0.04 0.00 0.00 177.00 176.28 2eei s SER 104 N 3.53 3.84 0.13 6.66 0.15 -1.26 -5.11 113.70 121.65 2eei s SER 104 Ca 0.69 -0.38 -0.11 0.00 0.70 0.00 0.00 55.95 56.85 2eei s SER 104 Cb -0.27 -1.58 0.00 0.00 -1.71 0.00 0.00 66.02 62.46 2eei s SER 104 CO 0.27 0.15 0.29 -0.94 1.20 0.00 0.00 173.24 174.20 2eei s SER 105 N 0.44 0.00 0.00 5.45 1.04 -1.26 -5.36 113.70 114.02 2eei s SER 105 Ca -0.11 -0.67 0.00 0.00 0.48 0.00 0.00 55.95 55.65 2eei s SER 105 Cb -0.16 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.38 2eei s SER 105 CO 0.05 -0.84 0.00 0.61 0.98 0.00 0.00 173.24 174.04