#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 6.65 -0.24 1.61 0.15 -1.26 -4.99 113.70 115.63 2eei s SER 2 Ca 0.00 -2.13 -0.33 0.00 0.70 0.00 0.00 55.95 54.19 2eei s SER 2 Cb 0.00 -2.38 -0.15 0.00 -1.71 0.00 0.00 66.02 61.79 2eei s SER 2 CO 0.00 -1.00 1.04 -1.20 1.20 0.00 0.00 173.24 173.28 2eei n SER 3 N 6.22 0.57 0.00 5.45 7.64 -1.26 -4.08 113.62 128.17 2eei n SER 3 Ca 0.23 0.87 0.00 0.00 1.01 0.00 0.00 58.87 60.98 2eei n SER 3 Cb 0.49 -0.66 0.00 0.00 -1.01 0.00 0.00 64.21 63.03 2eei n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2eei n GLY 4 N 2.29 0.05 3.56 0.23 0.00 -1.26 -5.11 105.19 104.95 2eei n GLY 4 Ca 0.20 0.01 -0.26 0.00 0.00 0.00 0.00 46.02 45.97 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 -4.00 4.17 -0.12 1.61 0.01 -1.26 -3.45 113.70 110.66 2eei s SER 5 Ca 0.00 -0.66 0.05 0.00 1.31 0.00 0.00 55.95 56.66 2eei s SER 5 Cb 0.00 -0.66 0.34 0.00 0.21 0.00 0.00 66.02 65.91 2eei s SER 5 CO 0.00 0.08 1.09 -1.20 0.41 0.00 0.00 173.24 173.62 2eei n SER 6 N -0.15 3.08 0.00 2.44 7.64 -1.26 -4.86 113.62 120.51 2eei n SER 6 Ca -0.10 -2.45 0.00 0.00 1.01 0.00 0.00 58.87 57.34 2eei n SER 6 Cb 0.56 -0.59 0.00 0.00 -1.01 0.00 0.00 64.21 63.17 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 0.19 1.57 0.17 0.23 0.00 -1.26 -4.77 105.19 101.32 2eei n GLY 7 Ca 0.14 -0.82 -0.05 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.33 0.00 1.61 1.08 -2.02 -3.47 115.11 111.98 2eei h GLN 8 Ca 0.00 0.02 -0.02 0.00 -1.45 0.00 0.00 58.65 57.20 2eei h GLN 8 Cb 0.00 0.08 0.01 0.00 -0.05 0.00 0.00 27.48 27.52 2eei h GLN 8 CO 0.00 -0.22 0.01 -0.35 -0.95 0.00 0.00 178.83 177.32 2eei n PRO 9 N -4.61 -1.15 -4.07 1.46 -0.04 -1.26 -5.04 135.00 120.29 2eei n PRO 9 Ca -0.04 -0.11 -0.30 0.00 -0.04 0.00 0.00 63.50 63.01 2eei n PRO 9 Cb 0.14 -0.10 -0.16 0.00 -0.04 0.00 0.00 33.50 33.33 2eei n PRO 9 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2eei s ARG 10 N -3.15 2.33 -0.33 0.54 6.06 -1.17 -4.01 118.95 119.22 2eei s ARG 10 Ca 0.04 -0.57 -0.29 0.00 -2.50 0.00 0.00 55.73 52.41 2eei s ARG 10 Cb -0.00 -2.11 0.00 0.00 0.06 0.00 0.00 34.95 32.89 2eei s ARG 10 CO 0.03 -0.22 1.36 -1.17 -2.50 0.00 0.00 175.30 172.81 2eei s LEU 11 N 1.43 3.78 -0.60 -0.88 1.98 -1.22 -3.61 118.68 119.56 2eei s LEU 11 Ca 0.04 1.11 -0.16 0.00 -2.89 0.00 0.00 54.13 52.23 2eei s LEU 11 Cb -0.13 -3.54 0.15 0.00 0.66 0.00 0.00 46.19 43.33 2eei s LEU 11 CO -0.10 -1.21 0.56 0.00 -1.89 0.00 0.00 176.35 173.71 2eei s TYR 13 N 1.32 2.42 -0.05 0.00 5.04 -1.26 -1.46 117.35 123.36 2eei s TYR 13 Ca 0.06 -0.04 -0.24 0.00 -2.44 0.00 0.00 57.07 54.41 2eei s TYR 13 Cb -0.26 -4.53 -0.04 0.00 0.35 0.00 0.00 41.96 37.49 2eei s TYR 13 CO 0.01 -1.89 0.74 -0.51 -1.34 0.00 0.00 175.55 172.56 2eei s LEU 14 N 5.26 4.33 -0.27 6.97 2.01 -0.99 -4.68 118.68 131.30 2eei s LEU 14 Ca 0.34 1.27 -0.01 0.00 0.01 0.00 0.00 54.13 55.74 2eei s LEU 14 Cb -0.09 -3.16 0.09 0.00 0.01 0.00 0.00 46.19 43.03 2eei s LEU 14 CO 0.16 -0.13 0.07 -0.69 1.01 0.00 0.00 176.35 176.77 2eei s VAL 15 N 0.79 0.78 -0.27 -1.59 1.01 -1.26 -1.09 120.40 118.77 2eei s VAL 15 Ca 0.40 -1.12 -0.39 0.00 0.00 0.00 0.00 61.98 60.87 2eei s VAL 15 Cb -0.18 -1.46 -0.14 0.00 0.00 0.00 0.00 36.38 34.59 2eei s VAL 15 CO 0.20 -0.51 1.86 2.29 0.00 0.00 0.00 175.10 178.95 2eei n LYS 16 N 4.91 1.26 -0.11 2.72 2.85 -0.44 -4.84 118.16 124.51 2eei n LYS 16 Ca -0.05 0.44 -0.21 0.00 -1.05 0.00 0.00 58.31 57.44 2eei n LYS 16 Cb 0.44 -2.23 -0.10 0.00 -0.65 0.00 0.00 35.03 32.49 2eei n LYS 16 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 2eei n GLU 17 N 6.19 0.55 -4.35 -1.58 0.28 -1.26 -4.95 120.64 115.53 2eei n GLU 17 Ca 0.30 0.49 -0.21 0.00 -0.16 0.00 0.00 57.16 57.58 2eei n GLU 17 Cb 0.17 -1.68 -0.16 0.00 1.43 0.00 0.00 31.44 31.20 2eei n GLU 17 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 2eei s GLY 18 N -4.92 0.55 0.00 -1.84 0.00 -1.26 -5.01 107.32 94.85 2eei s GLY 18 Ca -0.29 -0.23 0.00 0.00 0.00 0.00 0.00 44.72 44.20 2eei s GLY 18 CO 0.52 0.17 0.00 0.61 0.00 0.00 0.00 173.10 174.39 2eei n GLY 19 N 3.70 0.30 3.83 0.20 0.00 -1.26 -4.48 105.19 107.48 2eei n GLY 19 Ca -0.22 0.37 -0.27 0.00 0.00 0.00 0.00 46.02 45.89 2eei n GLY 19 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2eei s SER 20 N -4.00 4.49 1.15 1.61 0.15 -1.26 -5.06 113.70 110.78 2eei s SER 20 Ca 0.00 -1.26 -0.12 0.00 0.70 0.00 0.00 55.95 55.27 2eei s SER 20 Cb 0.00 0.14 0.18 0.00 -1.71 0.00 0.00 66.02 64.62 2eei s SER 20 CO 0.00 -0.87 0.60 -1.22 1.20 0.00 0.00 173.24 172.95 2eei n TYR 21 N -1.50 -3.45 -1.85 3.44 4.02 -1.26 -4.40 117.16 112.15 2eei n TYR 21 Ca -0.05 -0.55 -0.31 0.00 -0.01 0.00 0.00 57.90 56.99 2eei n TYR 21 Cb 0.65 -0.64 0.04 0.00 -0.02 0.00 0.00 39.34 39.36 2eei n TYR 21 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2eei n GLY 22 N -1.74 6.00 3.68 2.72 0.00 -1.26 -4.86 105.19 109.73 2eei n GLY 22 Ca 0.08 -2.53 -0.07 0.00 0.00 0.00 0.00 46.02 43.51 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 -3.75 -0.25 0.01 1.61 -0.12 -1.26 -3.06 117.98 111.15 2eei s PHE 23 Ca 0.55 -0.05 0.02 0.00 -0.05 0.00 0.00 56.93 57.40 2eei s PHE 23 Cb 0.45 0.63 -0.01 0.00 -0.63 0.00 0.00 43.02 43.45 2eei s PHE 23 CO -0.10 -0.88 -0.07 -1.12 -0.05 0.00 0.00 175.22 173.00 2eei s SER 24 N -2.82 0.75 0.28 1.98 0.01 -1.05 -4.99 113.70 107.86 2eei s SER 24 Ca 0.09 -0.26 0.05 0.00 1.31 0.00 0.00 55.95 57.14 2eei s SER 24 Cb -0.02 -0.04 -0.02 0.00 0.21 0.00 0.00 66.02 66.14 2eei s SER 24 CO -0.01 -0.02 0.41 -0.76 0.41 0.00 0.00 173.24 173.27 2eei s LEU 25 N -0.64 4.18 0.07 2.44 1.43 -1.26 -1.21 118.68 123.69 2eei s LEU 25 Ca -0.02 0.01 -0.26 0.00 -1.03 0.00 0.00 54.13 52.83 2eei s LEU 25 Cb -0.05 -2.85 0.08 0.00 0.03 0.00 0.00 46.19 43.40 2eei s LEU 25 CO 0.00 -0.21 0.73 -1.59 0.23 0.00 0.00 176.35 175.51 2eei s LYS 26 N -4.07 1.06 0.08 1.70 -2.85 -1.25 -4.95 119.74 109.47 2eei s LYS 26 Ca 0.38 -0.31 0.06 0.00 -1.00 0.00 0.00 55.97 55.11 2eei s LYS 26 Cb -0.09 0.49 -0.04 0.00 -2.06 0.00 0.00 37.83 36.13 2eei s LYS 26 CO 0.30 -0.45 -0.10 0.95 0.10 0.00 0.00 175.35 176.15 2eei s THR 27 N -3.14 3.36 0.01 3.79 -4.23 -1.26 -3.88 115.64 110.29 2eei s THR 27 Ca 0.01 -1.17 0.01 0.00 -1.18 0.00 0.00 61.69 59.36 2eei s THR 27 Cb -0.01 -2.54 -0.01 0.00 1.34 0.00 0.00 72.50 71.28 2eei s THR 27 CO -0.09 0.18 -0.04 -0.69 -0.54 0.00 0.00 174.62 173.45 2eei s VAL 28 N -1.15 0.25 -1.31 2.29 1.01 -1.26 -5.07 120.40 115.15 2eei s VAL 28 Ca 0.20 -0.56 -0.18 0.00 0.00 0.00 0.00 61.98 61.44 2eei s VAL 28 Cb -0.11 -0.29 0.05 0.00 0.00 0.00 0.00 36.38 36.03 2eei s VAL 28 CO 0.12 -0.21 1.83 1.67 0.00 0.00 0.00 175.10 178.51 2eei n GLN 29 N 2.25 3.03 0.00 2.72 7.27 -1.26 -3.30 117.38 128.09 2eei n GLN 29 Ca -0.18 -3.10 0.00 0.00 0.07 0.00 0.00 57.00 53.78 2eei n GLN 29 Cb 0.57 -3.47 0.00 0.00 2.41 0.00 0.00 30.24 29.75 2eei n GLN 29 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2eei n GLY 30 N 5.21 1.81 3.86 1.69 0.00 -1.26 -5.15 105.19 111.35 2eei n GLY 30 Ca 0.49 -0.17 -0.30 0.00 0.00 0.00 0.00 46.02 46.04 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 0.00 2.77 -0.33 1.61 3.01 -1.21 -5.02 119.74 120.58 2eei s LYS 31 Ca 0.00 0.55 -0.21 0.00 -1.01 0.00 0.00 55.97 55.29 2eei s LYS 31 Cb 0.00 -2.00 -0.00 0.00 -1.01 0.00 0.00 37.83 34.81 2eei s LYS 31 CO 0.00 -1.12 0.69 0.15 0.51 0.00 0.00 175.35 175.58 2eei s LYS 32 N -5.29 3.84 6.18 1.68 1.02 -1.26 -4.84 119.74 121.06 2eei s LYS 32 Ca 0.58 0.31 0.00 0.00 0.02 0.00 0.00 55.97 56.88 2eei s LYS 32 Cb -0.12 -3.76 0.00 0.00 -0.52 0.00 0.00 37.83 33.43 2eei s LYS 32 CO 0.53 -0.68 0.00 0.41 -0.92 0.00 0.00 175.35 174.69 2eei n GLY 33 N 4.45 3.16 3.72 -3.33 0.00 0.32 -4.62 105.19 108.89 2eei n GLY 33 Ca 0.01 -0.21 -0.29 0.00 0.00 0.00 0.00 46.02 45.53 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 1.80 0.35 1.61 -7.23 -1.25 -4.55 120.40 111.13 2eei s VAL 34 Ca 0.00 -1.88 -0.15 0.00 -1.81 0.00 0.00 61.98 58.14 2eei s VAL 34 Cb 0.00 -2.68 0.04 0.00 0.56 0.00 0.00 36.38 34.30 2eei s VAL 34 CO 0.00 0.00 0.72 -0.72 -0.31 0.00 0.00 175.10 174.79 2eei s TYR 35 N -2.74 0.20 0.29 2.82 -0.85 -1.25 -2.39 117.35 113.43 2eei s TYR 35 Ca 0.28 -0.76 -0.29 0.00 -0.52 0.00 0.00 57.07 55.78 2eei s TYR 35 Cb 0.05 0.66 -0.09 0.00 0.38 0.00 0.00 41.96 42.95 2eei s TYR 35 CO 0.15 -1.42 1.04 -1.64 -1.52 0.00 0.00 175.55 172.16 2eei s MET 36 N -2.80 4.62 0.03 -3.49 -1.94 -1.03 -3.82 119.30 110.88 2eei s MET 36 Ca 0.17 1.65 -0.24 0.00 -1.71 0.00 0.00 55.69 55.57 2eei s MET 36 Cb -0.04 -3.10 0.06 0.00 2.01 0.00 0.00 34.83 33.76 2eei s MET 36 CO 0.12 0.24 0.55 -0.08 -0.01 0.00 0.00 175.02 175.84 2eei s THR 37 N -1.27 0.02 -1.51 2.05 -1.32 -0.35 -2.54 115.64 110.73 2eei s THR 37 Ca 0.46 -0.19 -0.04 0.00 -1.21 0.00 0.00 61.69 60.70 2eei s THR 37 Cb -0.28 -0.97 0.02 0.00 -1.51 0.00 0.00 72.50 69.76 2eei s THR 37 CO 0.36 -0.11 0.45 -0.67 -2.21 0.00 0.00 174.62 172.44 2eei n ASP 38 N 0.48 -5.50 -4.66 8.08 2.03 -1.26 -2.53 116.55 113.20 2eei n ASP 38 Ca -0.18 -0.23 -0.62 0.00 0.52 0.00 0.00 54.79 54.28 2eei n ASP 38 Cb 0.60 -4.49 -0.09 0.00 -0.72 0.00 0.00 41.12 36.42 2eei n ASP 38 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 2eei n ILE 39 N -4.25 0.05 -2.60 5.18 2.08 -1.26 -4.62 119.36 113.94 2eei n ILE 39 Ca -0.12 -0.01 -0.42 0.00 0.56 0.00 0.00 62.75 62.76 2eei n ILE 39 Cb 0.62 -0.50 -0.03 0.00 -0.75 0.00 0.00 39.64 38.97 2eei n ILE 39 CO 0.00 0.00 0.00 -0.89 0.56 0.00 0.00 176.55 176.22 2eei s THR 40 N 2.00 4.50 0.22 1.39 2.01 -1.17 -5.01 115.64 119.57 2eei s THR 40 Ca 0.98 1.82 -0.30 0.00 0.31 0.00 0.00 61.69 64.51 2eei s THR 40 Cb -1.32 -4.17 -0.09 0.00 0.01 0.00 0.00 72.50 66.94 2eei s THR 40 CO 0.69 0.16 1.29 -2.16 -0.69 0.00 0.00 174.62 173.91 2eei s PRO 41 N 0.90 4.41 -1.33 4.92 0.04 -1.26 -3.22 135.00 139.45 2eei s PRO 41 Ca 0.54 2.04 -0.07 0.00 0.04 0.00 0.00 61.00 63.56 2eei s PRO 41 Cb -0.25 -3.18 0.01 0.00 0.04 0.00 0.00 34.50 31.12 2eei s PRO 41 CO 0.29 -0.21 1.10 1.04 0.04 0.00 0.00 177.00 179.26 2eei n GLN 42 N 2.36 -7.31 -2.45 4.56 3.00 -1.26 -5.00 117.38 111.28 2eei n GLN 42 Ca 0.05 0.81 -0.05 0.00 -0.01 0.00 0.00 57.00 57.79 2eei n GLN 42 Cb 0.43 -5.82 -0.01 0.00 0.00 0.00 0.00 30.24 24.84 2eei n GLN 42 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2eei n GLY 43 N -1.74 4.04 0.00 1.08 0.00 -1.20 -5.00 105.19 102.36 2eei n GLY 43 Ca -0.08 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 43.81 2eei n GLY 43 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2eei n VAL 44 N -0.20 0.00 -0.17 1.61 0.31 -1.26 -1.02 118.33 117.60 2eei n VAL 44 Ca -0.03 1.44 -0.08 0.00 -0.01 0.00 0.00 64.34 65.66 2eei n VAL 44 Cb 0.11 -2.29 -0.07 0.00 -0.91 0.00 0.00 33.84 30.68 2eei n VAL 44 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2eei h ALA 45 N -1.74 -0.51 -0.23 3.52 0.00 -1.90 1.17 119.26 119.57 2eei h ALA 45 Ca 0.00 0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.01 2eei h ALA 45 Cb 0.00 1.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 2eei h ALA 45 CO 0.00 -0.73 0.60 1.98 0.00 0.00 0.00 179.25 181.10 2eei h MET 46 N -0.15 0.00 0.03 0.00 -1.53 -1.74 0.64 114.93 112.17 2eei h MET 46 Ca 0.07 0.00 -0.32 0.00 -3.44 0.00 0.00 59.70 56.01 2eei h MET 46 Cb 0.34 0.00 -0.05 0.00 -0.55 0.00 0.00 31.60 31.34 2eei h MET 46 CO -0.49 0.00 -1.90 -2.13 0.14 0.00 0.00 176.91 172.53 2eei n ARG 47 N -3.06 0.67 0.24 0.39 3.00 0.34 -4.05 116.66 114.19 2eei n ARG 47 Ca 0.04 0.24 0.11 0.00 -0.00 0.00 0.00 57.85 58.24 2eei n ARG 47 Cb 0.70 -1.72 0.58 0.00 0.00 0.00 0.00 32.46 32.01 2eei n ARG 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2eei h ALA 48 N 0.75 1.12 0.00 5.13 0.00 0.62 -3.46 119.26 123.41 2eei h ALA 48 Ca -0.37 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2eei h ALA 48 Cb 2.05 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.81 2eei h ALA 48 CO 0.07 0.23 0.00 0.41 0.00 0.00 0.00 179.25 179.95 2eei n GLY 49 N -0.20 1.49 3.87 0.00 0.00 -0.60 -4.49 105.19 105.24 2eei n GLY 49 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 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 5.24 0.29 1.61 0.11 -1.11 -4.94 120.40 119.60 2eei s VAL 50 Ca 0.00 0.39 0.11 0.00 -2.93 0.00 0.00 61.98 59.56 2eei s VAL 50 Cb 0.00 -3.58 -0.05 0.00 -1.53 0.00 0.00 36.38 31.22 2eei s VAL 50 CO 0.00 0.46 -0.18 -1.48 -3.33 0.00 0.00 175.10 170.57 2eei s LEU 51 N -1.45 2.61 1.08 2.54 0.05 -1.26 -4.35 118.68 117.89 2eei s LEU 51 Ca 0.25 -1.05 -0.12 0.00 0.05 0.00 0.00 54.13 53.25 2eei s LEU 51 Cb -0.14 -1.06 0.22 0.00 -2.05 0.00 0.00 46.19 43.16 2eei s LEU 51 CO 0.13 -0.01 1.00 0.00 -0.55 0.00 0.00 176.35 176.93 2eei n ALA 52 N -0.63 -2.20 -3.81 1.48 0.00 -1.26 -3.48 120.51 110.60 2eei n ALA 52 Ca -0.05 -0.95 -0.27 0.00 0.00 0.00 0.00 53.44 52.17 2eei n ALA 52 Cb 0.61 -2.05 0.04 0.00 0.00 0.00 0.00 19.45 18.05 2eei n ALA 52 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2eei n ASP 53 N -4.47 -4.54 -4.26 0.00 8.00 -1.05 -4.94 116.55 105.30 2eei n ASP 53 Ca 0.06 -0.73 -0.43 0.00 0.71 0.00 0.00 54.79 54.40 2eei n ASP 53 Cb 0.54 -4.17 -0.07 0.00 -0.02 0.00 0.00 41.12 37.40 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 -3.49 5.93 0.11 -2.24 1.01 -1.23 -4.72 116.67 112.05 2eei s ASP 54 Ca 0.54 -1.85 -0.31 0.00 0.71 0.00 0.00 52.55 51.64 2eei s ASP 54 Cb -0.26 -2.10 -0.10 0.00 1.01 0.00 0.00 42.92 41.46 2eei s ASP 54 CO 0.81 -0.77 1.86 1.57 0.21 0.00 0.00 175.17 178.85 2eei n HIS 55 N 5.07 2.61 -2.15 4.23 -0.00 -1.26 -2.46 115.22 121.26 2eei n HIS 55 Ca -0.11 -0.18 -0.42 0.00 -0.00 0.00 0.00 57.72 57.01 2eei n HIS 55 Cb 0.40 -2.74 -0.03 0.00 -0.00 0.00 0.00 29.99 27.62 2eei n HIS 55 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2eei s LEU 56 N 2.97 4.32 -0.20 0.27 1.43 -1.01 -4.06 118.68 122.41 2eei s LEU 56 Ca 0.83 2.19 0.09 0.00 -1.03 0.00 0.00 54.13 56.21 2eei s LEU 56 Cb -0.47 -3.56 -0.22 0.00 0.03 0.00 0.00 46.19 41.97 2eei s LEU 56 CO 0.38 -0.77 0.04 -0.38 0.23 0.00 0.00 176.35 175.84 2eei n ILE 57 N 4.75 1.48 -3.61 -0.59 2.08 -0.08 -3.12 119.36 120.28 2eei n ILE 57 Ca 0.14 -0.72 0.00 0.00 0.56 0.00 0.00 62.75 62.73 2eei n ILE 57 Cb 0.43 -1.00 -0.01 0.00 -0.75 0.00 0.00 39.64 38.31 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 -2.52 0.35 -0.02 0.38 4.04 -1.25 -2.43 118.70 117.25 2eei s GLU 58 Ca -0.20 -0.18 0.01 0.00 0.04 0.00 0.00 54.97 54.64 2eei s GLU 58 Cb 0.07 0.13 0.01 0.00 0.02 0.00 0.00 34.13 34.36 2eei s GLU 58 CO 0.74 -0.16 -0.04 0.08 -1.84 0.00 0.00 175.26 174.04 2eei s VAL 59 N -2.39 0.36 -0.05 1.83 1.01 0.16 -2.95 120.40 118.37 2eei s VAL 59 Ca 0.13 -0.12 -0.01 0.00 0.00 0.00 0.00 61.98 61.98 2eei s VAL 59 Cb 0.03 -0.35 0.01 0.00 0.00 0.00 0.00 36.38 36.07 2eei s VAL 59 CO -0.04 0.14 0.01 0.59 0.00 0.00 0.00 175.10 175.80 2eei n ASN 60 N 3.44 -0.87 -0.17 3.32 3.02 -0.64 0.21 115.26 123.57 2eei n ASN 60 Ca -0.19 0.38 0.00 0.00 -0.03 0.00 0.00 54.58 54.74 2eei n ASN 60 Cb 0.55 -0.86 0.00 0.00 -0.61 0.00 0.00 39.78 38.86 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 -0.44 1.05 2.63 7.41 0.00 -1.26 -5.00 105.19 109.58 2eei n GLY 61 Ca 0.00 -0.37 -0.25 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.47 0.13 -0.17 1.61 8.01 0.55 -5.11 118.70 121.25 2eei s GLU 62 Ca 0.00 -0.13 -0.37 0.00 0.01 0.00 0.00 54.97 54.48 2eei s GLU 62 Cb 0.00 -1.49 -0.14 0.00 -4.31 0.00 0.00 34.13 28.19 2eei s GLU 62 CO 0.00 -0.77 1.76 0.09 0.01 0.00 0.00 175.26 176.36 2eei n ASN 63 N 5.28 2.76 -0.07 -0.19 4.13 -1.26 0.38 115.26 126.29 2eei n ASN 63 Ca -0.06 1.04 0.05 0.00 1.68 0.00 0.00 54.58 57.28 2eei n ASN 63 Cb 0.47 -1.24 0.06 0.00 -1.54 0.00 0.00 39.78 37.54 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 4.62 1.28 -0.10 2.41 0.24 -1.02 -4.80 118.33 120.96 2eei n VAL 64 Ca 0.24 -1.45 -0.13 0.00 -2.04 0.00 0.00 64.34 60.96 2eei n VAL 64 Cb 0.20 0.19 -0.09 0.00 -1.47 0.00 0.00 33.84 32.67 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 -0.41 -0.89 7.34 5.08 -1.60 -2.16 114.58 121.93 2eei h GLU 65 Ca 0.00 0.03 -0.62 0.00 -1.00 0.00 0.00 59.36 57.77 2eei h GLU 65 Cb 0.83 0.09 -0.35 0.00 0.50 0.00 0.00 28.75 29.82 2eei h GLU 65 CO 0.00 -0.27 0.12 -3.47 -1.00 0.00 0.00 179.01 174.39 2eei n ASP 66 N -5.40 6.48 -4.89 1.42 2.03 -1.26 -0.52 116.55 114.41 2eei n ASP 66 Ca -0.03 -3.77 -0.36 0.00 0.52 0.00 0.00 54.79 51.15 2eei n ASP 66 Cb 0.35 -0.70 -0.06 0.00 -0.72 0.00 0.00 41.12 40.00 2eei n ASP 66 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2eei s ALA 67 N -3.73 3.89 0.66 -1.67 0.00 -0.81 -4.73 121.76 115.38 2eei s ALA 67 Ca 0.59 -0.65 -0.16 0.00 0.00 0.00 0.00 51.96 51.73 2eei s ALA 67 Cb 0.47 -1.97 0.00 0.00 0.00 0.00 0.00 23.12 21.62 2eei s ALA 67 CO 0.01 0.65 1.17 0.45 0.00 0.00 0.00 175.76 178.04 2eei s SER 68 N -1.35 4.83 0.29 0.00 0.15 -1.26 -3.91 113.70 112.45 2eei s SER 68 Ca 0.20 2.23 0.03 0.00 0.70 0.00 0.00 55.95 59.11 2eei s SER 68 Cb -0.12 -2.58 0.64 0.00 -1.71 0.00 0.00 66.02 62.24 2eei s SER 68 CO 0.10 -1.83 1.80 -0.74 1.20 0.00 0.00 173.24 173.77 2eei h HIS 69 N 0.19 1.05 -0.26 3.44 2.76 -1.96 0.62 115.15 121.00 2eei h HIS 69 Ca -0.48 0.03 -0.12 0.00 -2.20 0.00 0.00 60.37 57.60 2eei h HIS 69 Cb 1.28 -0.32 -0.01 0.00 1.55 0.00 0.00 27.41 29.90 2eei h HIS 69 CO 0.50 0.31 -0.33 0.93 -1.30 0.00 0.00 177.93 178.03 2eei h GLU 70 N 0.83 0.56 -0.65 5.26 5.08 -1.99 -0.15 114.58 123.52 2eei h GLU 70 Ca 0.53 -0.25 -0.07 0.00 -1.00 0.00 0.00 59.36 58.57 2eei h GLU 70 Cb 0.71 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.92 2eei h GLU 70 CO -0.34 0.82 0.12 0.93 -1.00 0.00 0.00 179.01 179.54 2eei h GLU 71 N 0.47 1.07 0.11 2.33 4.39 -1.27 -2.81 114.58 118.88 2eei h GLU 71 Ca 0.05 -0.28 -0.01 0.00 0.34 0.00 0.00 59.36 59.47 2eei h GLU 71 Cb 0.81 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.33 2eei h GLU 71 CO 0.07 0.98 -0.05 0.28 -1.16 0.00 0.00 179.01 179.12 2eei h VAL 72 N 0.99 0.00 -0.79 3.13 2.07 -1.13 -3.13 116.25 117.39 2eei h VAL 72 Ca 0.20 -0.59 0.20 0.00 0.82 0.00 0.00 66.70 67.33 2eei h VAL 72 Cb 0.42 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.04 2eei h VAL 72 CO 0.01 0.00 -0.03 0.55 0.02 0.00 0.00 177.57 178.12 2eei n VAL 73 N -4.05 -0.33 -0.13 2.57 3.14 -0.08 0.18 118.33 119.62 2eei n VAL 73 Ca -0.02 1.76 -0.09 0.00 -2.96 0.00 0.00 64.34 63.03 2eei n VAL 73 Cb 0.06 -2.53 -0.00 0.00 -1.06 0.00 0.00 33.84 30.30 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 0.55 -0.79 1.45 5.08 -1.62 0.21 114.58 119.46 2eei h GLU 74 Ca 0.46 -0.06 0.09 0.00 -1.00 0.00 0.00 59.36 58.85 2eei h GLU 74 Cb 0.90 -0.11 -0.07 0.00 0.50 0.00 0.00 28.75 29.97 2eei h GLU 74 CO -0.76 0.44 0.44 0.87 -1.00 0.00 0.00 179.01 179.00 2eei h LYS 75 N 0.51 0.72 0.12 2.33 1.57 0.19 -0.25 116.57 121.75 2eei h LYS 75 Ca 0.14 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 2eei h LYS 75 Cb 0.04 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.19 2eei h LYS 75 CO -0.02 0.48 -0.06 0.28 -0.57 0.00 0.00 179.45 179.56 2eei h VAL 76 N 0.74 0.97 -0.76 0.50 2.07 -0.94 -1.62 116.25 117.21 2eei h VAL 76 Ca 0.38 -1.28 0.17 0.00 0.82 0.00 0.00 66.70 66.80 2eei h VAL 76 Cb 0.36 1.66 -0.12 0.00 -1.52 0.00 0.00 31.29 31.66 2eei h VAL 76 CO -0.25 0.26 0.09 0.11 0.02 0.00 0.00 177.57 177.81 2eei h LYS 77 N -0.85 0.16 -0.16 1.57 1.57 -0.40 -0.75 116.57 117.71 2eei h LYS 77 Ca -0.02 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.69 2eei h LYS 77 Cb 0.55 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.82 2eei h LYS 77 CO 0.03 0.11 -0.15 0.87 -0.57 0.00 0.00 179.45 179.73 2eei h LYS 78 N 0.17 0.39 -0.74 3.15 1.57 -1.13 -3.18 116.57 116.81 2eei h LYS 78 Ca 0.43 -0.20 0.28 0.00 -1.87 0.00 0.00 60.65 59.28 2eei h LYS 78 Cb 0.77 0.01 -0.13 0.00 0.08 0.00 0.00 32.23 32.95 2eei h LYS 78 CO -0.61 0.76 0.28 0.45 -0.57 0.00 0.00 179.45 179.77 2eei n SER 79 N -4.53 0.15 0.00 0.86 2.88 -0.30 -4.87 113.62 107.82 2eei n SER 79 Ca -0.06 1.23 0.00 0.00 -1.33 0.00 0.00 58.87 58.72 2eei n SER 79 Cb 0.37 -0.56 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 -1.25 0.32 0.03 0.46 0.00 -1.15 -4.73 105.19 98.87 2eei n GLY 80 Ca 0.25 -1.23 0.06 0.00 0.00 0.00 0.00 46.02 45.10 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 0.10 -4.33 1.61 7.64 -1.26 -4.81 113.62 112.57 2eei n SER 81 Ca 0.00 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.61 2eei n SER 81 Cb 0.00 1.74 -0.13 0.00 -1.01 0.00 0.00 64.21 64.81 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 -3.24 1.33 0.25 1.43 0.52 -1.26 -1.33 118.95 116.65 2eei s ARG 82 Ca -0.08 -1.21 -0.06 0.00 -0.52 0.00 0.00 55.73 53.86 2eei s ARG 82 Cb 0.12 -1.67 -0.02 0.00 0.52 0.00 0.00 34.95 33.90 2eei s ARG 82 CO 0.87 0.40 0.35 0.14 0.02 0.00 0.00 175.30 177.09 2eei s VAL 83 N -1.04 0.00 -0.25 3.52 -7.23 -0.25 -4.87 120.40 110.27 2eei s VAL 83 Ca 0.10 -1.66 0.02 0.00 -1.81 0.00 0.00 61.98 58.63 2eei s VAL 83 Cb -0.10 -2.39 0.06 0.00 0.56 0.00 0.00 36.38 34.51 2eei s VAL 83 CO 0.04 0.00 -0.07 -0.32 -0.31 0.00 0.00 175.10 174.45 2eei s MET 84 N -3.88 1.87 -0.18 4.82 1.75 -1.26 -2.36 119.30 120.06 2eei s MET 84 Ca 0.30 -1.21 -0.06 0.00 -1.25 0.00 0.00 55.69 53.47 2eei s MET 84 Cb 0.02 -2.75 -0.04 0.00 2.84 0.00 0.00 34.83 34.90 2eei s MET 84 CO 0.13 -0.62 0.03 -0.06 -0.65 0.00 0.00 175.02 173.85 2eei s PHE 85 N 1.24 3.17 -0.38 4.11 0.08 -0.53 -1.62 117.98 124.03 2eei s PHE 85 Ca -0.06 -0.09 -0.04 0.00 0.12 0.00 0.00 56.93 56.86 2eei s PHE 85 Cb -0.19 -2.06 0.09 0.00 -0.57 0.00 0.00 43.02 40.29 2eei s PHE 85 CO -0.06 0.05 0.16 -1.17 -0.10 0.00 0.00 175.22 174.10 2eei s LEU 86 N 0.49 4.88 0.38 -0.37 2.96 -1.15 0.05 118.68 125.92 2eei s LEU 86 Ca 0.01 -1.71 0.08 0.00 -0.22 0.00 0.00 54.13 52.29 2eei s LEU 86 Cb -0.13 -1.83 -0.06 0.00 0.50 0.00 0.00 46.19 44.67 2eei s LEU 86 CO 0.01 -0.47 0.06 -0.76 -1.32 0.00 0.00 176.35 173.88 2eei s LEU 87 N 1.23 3.00 0.12 -0.68 1.43 -1.24 -0.90 118.68 121.64 2eei s LEU 87 Ca 0.04 -1.11 0.10 0.00 -1.03 0.00 0.00 54.13 52.13 2eei s LEU 87 Cb -0.22 -1.27 -0.04 0.00 0.03 0.00 0.00 46.19 44.69 2eei s LEU 87 CO -0.02 -0.38 -0.24 -0.69 0.23 0.00 0.00 176.35 175.25 2eei s VAL 88 N -2.59 2.00 0.51 -1.59 1.01 -1.26 -3.07 120.40 115.42 2eei s VAL 88 Ca 0.37 -1.67 -0.22 0.00 0.00 0.00 0.00 61.98 60.45 2eei s VAL 88 Cb 0.03 -1.79 -0.06 0.00 0.00 0.00 0.00 36.38 34.56 2eei s VAL 88 CO 0.20 0.00 1.32 -0.62 0.00 0.00 0.00 175.10 176.00 2eei s ASP 89 N -2.02 5.56 0.18 3.32 2.15 -1.26 -4.55 116.67 120.05 2eei s ASP 89 Ca 0.11 2.67 -0.08 0.00 0.43 0.00 0.00 52.55 55.68 2eei s ASP 89 Cb -0.10 -2.63 0.08 0.00 -0.30 0.00 0.00 42.92 39.97 2eei s ASP 89 CO 0.05 -1.36 1.61 0.07 -0.17 0.00 0.00 175.17 175.37 2eei h LYS 90 N 1.71 0.99 -0.99 4.34 2.10 -1.88 -1.94 116.57 120.90 2eei h LYS 90 Ca -0.50 -0.36 0.25 0.00 -2.00 0.00 0.00 60.65 58.03 2eei h LYS 90 Cb 1.28 -0.07 -0.08 0.00 -0.90 0.00 0.00 32.23 32.47 2eei h LYS 90 CO 0.58 1.04 0.66 0.93 -2.00 0.00 0.00 179.45 180.66 2eei h GLU 91 N 0.88 0.33 0.00 0.07 5.08 -1.99 -2.99 114.58 115.97 2eei h GLU 91 Ca 0.14 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2eei h GLU 91 Cb 0.67 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.84 2eei h GLU 91 CO 0.05 0.22 -0.23 1.15 -1.00 0.00 0.00 179.01 179.20 2eei h THR 92 N 0.34 0.00 -1.73 1.13 2.02 -1.89 -3.47 112.91 109.32 2eei h THR 92 Ca 0.54 -0.71 -0.67 0.00 0.77 0.00 0.00 66.41 66.34 2eei h THR 92 Cb 1.46 0.00 0.08 0.00 -1.74 0.00 0.00 68.15 67.94 2eei h THR 92 CO -0.21 0.00 0.20 -0.67 0.37 0.00 0.00 175.52 175.21 2eei n ASP 93 N -3.94 1.00 -3.97 4.18 -0.08 -0.75 -4.97 116.55 108.00 2eei n ASP 93 Ca -0.03 1.14 -0.21 0.00 -1.51 0.00 0.00 54.79 54.18 2eei n ASP 93 Cb 0.12 -1.16 -0.16 0.00 2.34 0.00 0.00 41.12 42.26 2eei n ASP 93 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 2eei s LYS 94 N -0.31 1.08 0.88 -0.67 -0.14 -1.26 -4.84 119.74 114.48 2eei s LYS 94 Ca 0.75 -0.26 -0.13 0.00 -1.36 0.00 0.00 55.97 54.97 2eei s LYS 94 Cb -0.92 -0.99 0.15 0.00 -1.68 0.00 0.00 37.83 34.39 2eei s LYS 94 CO 0.53 0.03 1.24 1.03 -0.76 0.00 0.00 175.35 177.41 2eei s ARG 95 N 0.53 1.24 -0.26 1.68 0.52 -1.26 -5.04 118.95 116.35 2eei s ARG 95 Ca -0.09 -0.27 -0.14 0.00 -0.52 0.00 0.00 55.73 54.71 2eei s ARG 95 Cb -0.12 -1.93 -0.04 0.00 0.52 0.00 0.00 34.95 33.38 2eei s ARG 95 CO 0.01 -2.01 0.35 -1.58 0.02 0.00 0.00 175.30 172.09 2eei s HIS 96 N -3.70 3.26 0.05 -0.53 5.65 -1.26 -5.07 115.29 113.68 2eei s HIS 96 Ca 0.69 0.39 0.06 0.00 0.25 0.00 0.00 55.06 56.45 2eei s HIS 96 Cb -0.07 -2.54 -0.02 0.00 -1.18 0.00 0.00 32.58 28.77 2eei s HIS 96 CO 0.51 -0.19 -0.16 0.08 -0.65 0.00 0.00 174.74 174.32 2eei s VAL 97 N 1.94 1.31 -0.17 0.89 1.01 -1.26 -5.14 120.40 118.99 2eei s VAL 97 Ca 0.14 -1.11 -0.01 0.00 0.00 0.00 0.00 61.98 61.01 2eei s VAL 97 Cb -0.16 -1.17 -0.00 0.00 0.00 0.00 0.00 36.38 35.05 2eei s VAL 97 CO 0.10 0.05 -0.13 -0.70 0.00 0.00 0.00 175.10 174.41 2eei s GLU 98 N -1.23 3.26 -0.27 2.72 2.12 -1.26 -5.10 118.70 118.94 2eei s GLU 98 Ca 0.03 -0.72 -0.03 0.00 0.36 0.00 0.00 54.97 54.61 2eei s GLU 98 Cb -0.08 -2.70 0.02 0.00 0.26 0.00 0.00 34.13 31.63 2eei s GLU 98 CO 0.02 -0.02 -0.01 -1.14 -0.54 0.00 0.00 175.26 173.57 2eei s GLN 99 N 0.92 2.87 -0.04 4.30 2.00 -1.26 -5.08 119.66 123.36 2eei s GLN 99 Ca -0.03 -0.98 -0.02 0.00 -2.00 0.00 0.00 55.36 52.34 2eei s GLN 99 Cb -0.15 -3.14 0.03 0.00 0.80 0.00 0.00 33.01 30.55 2eei s GLN 99 CO -0.01 -0.44 0.09 0.21 -0.50 0.00 0.00 175.29 174.63 2eei s LYS 100 N 1.37 0.04 -0.02 1.67 2.36 -1.26 -5.12 119.74 118.80 2eei s LYS 100 Ca 0.00 0.24 -0.38 0.00 -2.55 0.00 0.00 55.97 53.28 2eei s LYS 100 Cb -0.17 -0.15 -0.17 0.00 -1.05 0.00 0.00 37.83 36.28 2eei s LYS 100 CO -0.02 -0.13 1.36 0.43 1.55 0.00 0.00 175.35 178.54 2eei n SER 101 N 3.93 1.41 0.00 1.43 7.64 -1.26 -4.90 113.62 121.87 2eei n SER 101 Ca -0.24 1.12 0.00 0.00 1.01 0.00 0.00 58.87 60.77 2eei n SER 101 Cb 0.53 -1.11 0.00 0.00 -1.01 0.00 0.00 64.21 62.62 2eei n SER 101 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2eei n GLY 102 N 2.65 3.19 3.60 0.23 0.00 -1.26 -5.10 105.19 108.49 2eei n GLY 102 Ca 0.21 -0.42 -0.43 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.76 3.36 -0.27 1.61 0.04 -1.26 -4.95 135.00 131.77 2eei s PRO 103 Ca 0.00 1.27 -0.22 0.00 0.04 0.00 0.00 61.00 62.08 2eei s PRO 103 Cb 0.00 -4.16 0.07 0.00 0.04 0.00 0.00 34.50 30.45 2eei s PRO 103 CO 0.00 -1.83 0.70 -1.12 0.04 0.00 0.00 177.00 174.79 2eei s SER 104 N 5.65 -0.78 0.54 6.66 0.01 -1.26 -5.18 113.70 119.34 2eei s SER 104 Ca 0.75 1.44 0.03 0.00 1.31 0.00 0.00 55.95 59.47 2eei s SER 104 Cb -0.20 1.42 0.04 0.00 0.21 0.00 0.00 66.02 67.49 2eei s SER 104 CO 0.33 -0.24 0.75 -0.44 0.41 0.00 0.00 173.24 174.04 2eei s SER 105 N 0.69 5.29 0.00 2.44 0.01 -1.26 -5.25 113.70 115.62 2eei s SER 105 Ca -0.02 -0.14 0.00 0.00 1.31 0.00 0.00 55.95 57.10 2eei s SER 105 Cb -0.05 -0.74 0.00 0.00 0.21 0.00 0.00 66.02 65.44 2eei s SER 105 CO -0.04 -1.12 0.00 0.61 0.41 0.00 0.00 173.24 173.10