#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aep s VAL 2 N 0.00 4.42 0.00 3.84 1.01 -1.26 -4.04 120.40 124.37 2aep s VAL 2 Ca 0.00 1.72 0.05 0.00 0.00 0.00 0.00 61.98 63.75 2aep s VAL 2 Cb 0.00 -4.11 -0.01 0.00 0.00 0.00 0.00 36.38 32.26 2aep s VAL 2 CO 0.00 -0.01 -0.15 -0.54 0.00 0.00 0.00 175.10 174.41 2aep s LYS 3 N 2.20 1.14 -0.07 2.72 1.02 -0.47 -4.99 119.74 121.28 2aep s LYS 3 Ca 0.53 -0.58 0.02 0.00 0.02 0.00 0.00 55.97 55.96 2aep s LYS 3 Cb -0.23 -1.11 0.01 0.00 -0.52 0.00 0.00 37.83 35.98 2aep s LYS 3 CO 0.20 0.30 -0.13 -0.51 -0.92 0.00 0.00 175.35 174.29 2aep s LEU 4 N -0.53 1.65 -0.20 3.17 1.43 -1.26 -1.45 118.68 121.49 2aep s LEU 4 Ca 0.05 -0.33 -0.03 0.00 -1.03 0.00 0.00 54.13 52.79 2aep s LEU 4 Cb -0.06 -0.89 0.06 0.00 0.03 0.00 0.00 46.19 45.34 2aep s LEU 4 CO -0.00 0.03 0.05 -0.69 0.23 0.00 0.00 176.35 175.97 2aep s VAL 5 N 0.74 0.44 0.56 -1.59 1.01 -0.42 -4.08 120.40 117.05 2aep s VAL 5 Ca -0.13 -0.58 -0.15 0.00 0.00 0.00 0.00 61.98 61.13 2aep s VAL 5 Cb -0.16 -1.01 -0.06 0.00 0.00 0.00 0.00 36.38 35.15 2aep s VAL 5 CO 0.03 -0.28 1.01 -1.61 0.00 0.00 0.00 175.10 174.25 2aep s GLU 6 N 1.89 3.76 0.35 2.72 8.01 -1.26 -1.21 118.70 132.95 2aep s GLU 6 Ca 0.01 0.92 -0.17 0.00 0.01 0.00 0.00 54.97 55.74 2aep s GLU 6 Cb -0.17 -2.11 0.04 0.00 -4.31 0.00 0.00 34.13 27.59 2aep s GLU 6 CO -0.11 -0.43 0.74 -1.54 0.01 0.00 0.00 175.26 173.93 2aep s SER 7 N -3.39 -0.04 0.00 -0.19 1.04 -0.64 -4.78 113.70 105.70 2aep s SER 7 Ca 0.58 -0.98 0.00 0.00 0.48 0.00 0.00 55.95 56.03 2aep s SER 7 Cb -0.11 0.80 0.00 0.00 0.10 0.00 0.00 66.02 66.81 2aep s SER 7 CO 0.39 -1.55 0.00 0.61 0.98 0.00 0.00 173.24 173.67 2aep n GLY 8 N -0.50 0.62 3.93 7.32 0.00 -1.26 -2.20 105.19 113.09 2aep n GLY 8 Ca -0.06 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.70 2aep n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2aep s GLY 9 N -1.24 1.70 0.00 -0.02 0.00 -1.26 -4.80 107.32 101.69 2aep s GLY 9 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 44.72 43.73 2aep s GLY 9 CO 0.00 -0.55 0.00 0.61 0.00 0.00 0.00 173.10 173.16 2aep n GLY 10 N -2.96 0.09 3.15 0.20 0.00 0.70 -4.91 105.19 101.46 2aep n GLY 10 Ca 0.09 -0.20 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 2aep n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2aep s LEU 11 N 0.00 1.94 -0.03 0.99 2.96 -1.26 -0.68 118.68 122.60 2aep s LEU 11 Ca 0.00 -0.47 0.01 0.00 -0.22 0.00 0.00 54.13 53.45 2aep s LEU 11 Cb 0.00 -1.20 0.03 0.00 0.50 0.00 0.00 46.19 45.51 2aep s LEU 11 CO 0.00 0.12 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.45 2aep s VAL 12 N 0.41 0.28 0.34 1.68 1.01 -0.73 -5.00 120.40 118.39 2aep s VAL 12 Ca -0.16 0.03 -0.26 0.00 0.00 0.00 0.00 61.98 61.58 2aep s VAL 12 Cb -0.17 -0.35 -0.13 0.00 0.00 0.00 0.00 36.38 35.73 2aep s VAL 12 CO 0.07 0.17 0.93 0.00 0.00 0.00 0.00 175.10 176.26 2aep n GLN 13 N 4.12 1.20 -1.18 2.72 0.00 -1.25 -2.34 117.38 120.65 2aep n GLN 13 Ca -0.26 0.42 -0.34 0.00 0.00 0.00 0.00 57.00 56.83 2aep n GLN 13 Cb 0.50 -1.82 0.12 0.00 0.00 0.00 0.00 30.24 29.04 2aep n GLN 13 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.06 174.76 2aep n PRO 14 N 0.55 0.29 0.00 2.61 -0.02 -1.26 -2.63 135.00 134.53 2aep n PRO 14 Ca 0.10 0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 2aep n PRO 14 Cb 0.35 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.38 2aep n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2aep n GLY 15 N 0.59 2.77 3.66 -1.23 0.00 0.09 -4.96 105.19 106.11 2aep n GLY 15 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 2aep n GLY 15 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2aep s GLY 16 N -0.88 1.63 0.09 -0.02 0.00 -1.08 -3.72 107.32 103.34 2aep s GLY 16 Ca 0.00 -1.07 0.07 0.00 0.00 0.00 0.00 44.72 43.72 2aep s GLY 16 CO 0.00 -0.18 -0.17 -0.56 0.00 0.00 0.00 173.10 172.19 2aep s SER 17 N -4.17 2.10 0.05 1.64 0.01 -1.26 -1.27 113.70 110.80 2aep s SER 17 Ca 0.72 -0.65 -0.22 0.00 1.31 0.00 0.00 55.95 57.11 2aep s SER 17 Cb -0.07 -0.09 0.05 0.00 0.21 0.00 0.00 66.02 66.12 2aep s SER 17 CO 0.55 -0.01 0.52 -0.22 0.41 0.00 0.00 173.24 174.49 2aep s LEU 18 N -1.82 -0.09 -0.08 2.44 2.96 0.26 -5.00 118.68 117.35 2aep s LEU 18 Ca 0.02 0.17 0.03 0.00 -0.22 0.00 0.00 54.13 54.13 2aep s LEU 18 Cb -0.10 2.14 0.01 0.00 0.50 0.00 0.00 46.19 48.74 2aep s LEU 18 CO 0.03 -0.73 -0.18 -0.44 -1.32 0.00 0.00 176.35 173.72 2aep s SER 19 N -1.99 2.36 0.06 3.68 0.01 -1.26 -0.35 113.70 116.21 2aep s SER 19 Ca -0.05 -0.42 0.01 0.00 1.31 0.00 0.00 55.95 56.80 2aep s SER 19 Cb -0.01 -1.08 -0.04 0.00 0.21 0.00 0.00 66.02 65.10 2aep s SER 19 CO -0.02 0.09 0.19 -0.76 0.41 0.00 0.00 173.24 173.15 2aep s LEU 20 N 0.51 4.26 0.20 2.44 1.43 0.18 -4.78 118.68 122.92 2aep s LEU 20 Ca -0.16 0.22 0.09 0.00 -1.03 0.00 0.00 54.13 53.24 2aep s LEU 20 Cb -0.17 -2.87 -0.04 0.00 0.03 0.00 0.00 46.19 43.14 2aep s LEU 20 CO 0.06 0.17 -0.06 -0.44 0.23 0.00 0.00 176.35 176.31 2aep s SER 21 N -2.50 4.39 -0.22 2.29 0.01 -0.94 -1.40 113.70 115.33 2aep s SER 21 Ca 0.34 -0.57 -0.04 0.00 1.31 0.00 0.00 55.95 56.99 2aep s SER 21 Cb -0.13 -0.79 0.08 0.00 0.21 0.00 0.00 66.02 65.39 2aep s SER 21 CO 0.27 0.08 0.09 0.00 0.41 0.00 0.00 173.24 174.09 2aep s ALA 23 N 2.04 3.29 0.17 0.00 0.00 -0.35 -1.41 121.76 125.49 2aep s ALA 23 Ca 0.04 0.38 0.08 0.00 0.00 0.00 0.00 51.96 52.47 2aep s ALA 23 Cb -0.16 -3.13 -0.04 0.00 0.00 0.00 0.00 23.12 19.79 2aep s ALA 23 CO -0.19 -0.04 -0.17 0.95 0.00 0.00 0.00 175.76 176.31 2aep s THR 24 N 0.30 1.79 0.23 0.00 -4.23 -0.63 -1.31 115.64 111.80 2aep s THR 24 Ca 0.43 -1.98 -0.16 0.00 -1.18 0.00 0.00 61.69 58.81 2aep s THR 24 Cb -0.21 -1.88 0.01 0.00 1.34 0.00 0.00 72.50 71.77 2aep s THR 24 CO 0.25 -0.38 0.54 -0.94 -0.54 0.00 0.00 174.62 173.55 2aep s SER 25 N -2.80 -0.18 0.00 3.99 1.04 -0.53 -4.82 113.70 110.40 2aep s SER 25 Ca 0.17 -0.70 0.00 0.00 0.48 0.00 0.00 55.95 55.89 2aep s SER 25 Cb -0.05 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.68 2aep s SER 25 CO 0.07 -1.15 0.00 0.61 0.98 0.00 0.00 173.24 173.75 2aep n GLY 26 N -0.38 0.48 3.57 7.32 0.00 -1.26 -1.37 105.19 113.56 2aep n GLY 26 Ca -0.05 -0.68 -0.09 0.00 0.00 0.00 0.00 46.02 45.20 2aep n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2aep s PHE 27 N -2.00 -0.37 -0.77 1.61 -0.12 -1.26 -4.39 117.98 110.68 2aep s PHE 27 Ca 0.00 0.11 -0.26 0.00 -0.05 0.00 0.00 56.93 56.73 2aep s PHE 27 Cb 0.00 0.60 0.03 0.00 -0.63 0.00 0.00 43.02 43.02 2aep s PHE 27 CO 0.00 -0.85 1.33 0.99 -0.05 0.00 0.00 175.22 176.64 2aep s THR 28 N -3.58 3.73 0.20 -4.49 2.01 -1.26 -4.88 115.64 107.37 2aep s THR 28 Ca 0.05 0.24 -0.14 0.00 0.31 0.00 0.00 61.69 62.15 2aep s THR 28 Cb -0.02 -4.89 0.19 0.00 0.01 0.00 0.00 72.50 67.78 2aep s THR 28 CO -0.06 -1.83 1.64 0.15 -0.69 0.00 0.00 174.62 173.84 2aep h PHE 29 N 10.21 -0.27 0.00 4.92 3.57 -1.95 -2.03 116.94 131.38 2aep h PHE 29 Ca -0.21 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.34 2aep h PHE 29 Cb 1.05 0.21 0.00 0.00 2.79 0.00 0.00 35.95 40.00 2aep h PHE 29 CO 1.15 -0.23 0.00 0.44 -2.23 0.00 0.00 178.31 177.44 2aep n ILE 30 N -5.38 0.80 1.08 1.41 -5.35 -1.26 -1.33 119.36 109.33 2aep n ILE 30 Ca 0.06 0.17 0.13 0.00 -0.27 0.00 0.00 62.75 62.84 2aep n ILE 30 Cb 0.30 -1.10 0.61 0.00 -1.74 0.00 0.00 39.64 37.71 2aep n ILE 30 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 2aep n ASP 31 N -2.24 0.00 -4.32 7.28 8.00 -0.76 -1.38 116.55 123.13 2aep n ASP 31 Ca 0.02 0.15 -0.31 0.00 0.71 0.00 0.00 54.79 55.37 2aep n ASP 31 Cb 0.25 -0.37 -0.16 0.00 -0.02 0.00 0.00 41.12 40.82 2aep n ASP 31 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2aep s TYR 32 N -2.75 2.35 0.57 1.24 2.02 -0.45 -4.80 117.35 115.54 2aep s TYR 32 Ca 0.20 -0.43 -0.20 0.00 -0.37 0.00 0.00 57.07 56.27 2aep s TYR 32 Cb 0.17 -1.51 -0.04 0.00 -0.40 0.00 0.00 41.96 40.18 2aep s TYR 32 CO 0.42 -0.03 1.22 0.71 -1.57 0.00 0.00 175.55 176.30 2aep s TYR 33 N -0.61 2.43 -0.01 2.71 4.12 -1.24 -4.18 117.35 120.58 2aep s TYR 33 Ca 0.10 1.50 0.03 0.00 0.02 0.00 0.00 57.07 58.71 2aep s TYR 33 Cb -0.10 -3.52 -0.01 0.00 -1.52 0.00 0.00 41.96 36.81 2aep s TYR 33 CO -0.01 -2.23 -0.08 -1.64 0.02 0.00 0.00 175.55 171.61 2aep s MET 34 N -3.19 0.68 0.09 -0.62 -1.94 -0.18 -1.70 119.30 112.44 2aep s MET 34 Ca 0.75 -0.31 0.06 0.00 -1.71 0.00 0.00 55.69 54.48 2aep s MET 34 Cb -0.32 -0.66 -0.03 0.00 2.01 0.00 0.00 34.83 35.83 2aep s MET 34 CO 0.35 0.18 -0.16 0.45 -0.01 0.00 0.00 175.02 175.83 2aep s SER 35 N -0.22 2.05 -0.05 3.03 0.15 -0.37 -0.50 113.70 117.79 2aep s SER 35 Ca 0.03 -0.69 0.04 0.00 0.70 0.00 0.00 55.95 56.04 2aep s SER 35 Cb -0.03 -0.09 -0.02 0.00 -1.71 0.00 0.00 66.02 64.17 2aep s SER 35 CO -0.00 -0.04 -0.18 0.26 1.20 0.00 0.00 173.24 174.47 2aep s TRP 36 N -1.43 2.60 0.24 3.44 0.52 0.45 -0.81 118.94 123.95 2aep s TRP 36 Ca 0.03 -0.34 0.02 0.00 0.02 0.00 0.00 56.10 55.83 2aep s TRP 36 Cb -0.09 -1.62 -0.05 0.00 -1.15 0.00 0.00 33.47 30.56 2aep s TRP 36 CO 0.03 0.05 0.07 -0.06 0.02 0.00 0.00 176.95 177.06 2aep s PHE 37 N -0.52 1.50 0.10 -1.98 0.40 0.39 -1.11 117.98 116.75 2aep s PHE 37 Ca 0.07 -1.12 -0.16 0.00 -0.60 0.00 0.00 56.93 55.12 2aep s PHE 37 Cb -0.11 -0.88 0.03 0.00 0.51 0.00 0.00 43.02 42.57 2aep s PHE 37 CO 0.01 -0.28 0.39 -0.98 0.70 0.00 0.00 175.22 175.06 2aep s ARG 38 N -3.99 1.02 -0.22 0.44 1.70 -0.03 -0.35 118.95 117.52 2aep s ARG 38 Ca 0.34 -0.64 0.00 0.00 -0.47 0.00 0.00 55.73 54.96 2aep s ARG 38 Cb 0.07 0.45 0.06 0.00 -0.57 0.00 0.00 34.95 34.96 2aep s ARG 38 CO 0.12 -0.38 -0.05 -1.14 -1.08 0.00 0.00 175.30 172.77 2aep s GLN 39 N -3.49 1.53 0.72 3.89 0.74 -0.23 -0.59 119.66 122.23 2aep s GLN 39 Ca 0.01 -0.87 -0.14 0.00 0.05 0.00 0.00 55.36 54.41 2aep s GLN 39 Cb 0.01 -2.47 0.04 0.00 1.10 0.00 0.00 33.01 31.69 2aep s GLN 39 CO -0.10 -0.57 1.16 -2.14 -0.55 0.00 0.00 175.29 173.08 2aep s PRO 40 N 1.47 2.30 0.25 1.67 0.02 -1.26 -0.80 135.00 138.65 2aep s PRO 40 Ca -0.04 1.55 -0.31 0.00 0.02 0.00 0.00 61.00 62.22 2aep s PRO 40 Cb -0.18 -1.87 -0.12 0.00 0.02 0.00 0.00 34.50 32.34 2aep s PRO 40 CO -0.07 -1.67 1.56 -2.30 -0.33 0.00 0.00 177.00 174.19 2aep n PRO 41 N -2.80 2.44 -0.91 5.54 -0.02 -1.26 -0.85 135.00 137.13 2aep n PRO 41 Ca 0.12 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.47 2aep n PRO 41 Cb 0.51 -2.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.37 2aep n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2aep n GLY 42 N 2.57 0.02 3.84 -1.23 0.00 -1.26 -4.97 105.19 104.16 2aep n GLY 42 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 2aep n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2aep s LYS 43 N -1.75 2.23 0.69 1.61 1.02 -0.03 -5.13 119.74 118.37 2aep s LYS 43 Ca 0.00 -2.15 -0.15 0.00 0.02 0.00 0.00 55.97 53.70 2aep s LYS 43 Cb 0.00 -1.89 0.01 0.00 -0.52 0.00 0.00 37.83 35.43 2aep s LYS 43 CO 0.00 -0.50 1.13 0.00 -0.92 0.00 0.00 175.35 175.06 2aep s ALA 44 N -2.80 2.36 0.71 5.17 0.00 -1.26 -4.65 121.76 121.29 2aep s ALA 44 Ca 0.24 0.60 -0.16 0.00 0.00 0.00 0.00 51.96 52.64 2aep s ALA 44 Cb -0.01 -3.35 0.03 0.00 0.00 0.00 0.00 23.12 19.79 2aep s ALA 44 CO 0.15 -1.46 1.23 -0.51 0.00 0.00 0.00 175.76 175.17 2aep s LEU 45 N -5.03 3.39 -0.08 0.00 1.43 -1.26 -4.35 118.68 112.78 2aep s LEU 45 Ca 0.68 2.44 -0.08 0.00 -1.03 0.00 0.00 54.13 56.15 2aep s LEU 45 Cb -0.22 -4.60 0.02 0.00 0.03 0.00 0.00 46.19 41.42 2aep s LEU 45 CO 0.43 -2.21 0.22 -0.70 0.23 0.00 0.00 176.35 174.33 2aep s GLU 46 N -3.74 0.25 -0.04 1.70 2.12 0.24 -4.97 118.70 114.27 2aep s GLU 46 Ca 0.77 0.31 -0.14 0.00 0.36 0.00 0.00 54.97 56.28 2aep s GLU 46 Cb -0.32 0.11 -0.05 0.00 0.26 0.00 0.00 34.13 34.13 2aep s GLU 46 CO 0.44 -0.04 0.36 -0.46 -0.54 0.00 0.00 175.26 175.02 2aep s TRP 47 N 0.16 3.68 -0.11 5.30 -0.00 -1.26 -0.85 118.94 125.87 2aep s TRP 47 Ca -0.00 0.89 -0.11 0.00 -0.00 0.00 0.00 56.10 56.87 2aep s TRP 47 Cb -0.02 -2.26 -0.05 0.00 -0.00 0.00 0.00 33.47 31.15 2aep s TRP 47 CO -0.00 0.60 -0.23 1.28 -0.00 0.00 0.00 176.95 178.60 2aep n LEU 48 N 2.08 1.58 0.00 5.86 4.77 -0.27 -4.69 117.00 126.33 2aep n LEU 48 Ca -0.14 0.26 -0.04 0.00 -0.03 0.00 0.00 56.01 56.05 2aep n LEU 48 Cb 0.53 -0.59 0.02 0.00 -2.33 0.00 0.00 43.42 41.05 2aep n LEU 48 CO 0.37 -0.24 0.78 0.61 -1.33 0.00 0.00 177.39 177.58 2aep n GLY 49 N 2.07 0.65 3.24 -0.72 0.00 -1.12 -1.19 105.19 108.11 2aep n GLY 49 Ca -0.16 -1.17 -0.09 0.00 0.00 0.00 0.00 46.02 44.60 2aep n GLY 49 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2aep s LEU 50 N 0.00 1.39 -0.04 0.99 0.05 0.48 -0.41 118.68 121.14 2aep s LEU 50 Ca 0.22 -1.02 0.04 0.00 0.05 0.00 0.00 54.13 53.42 2aep s LEU 50 Cb -0.03 0.75 -0.00 0.00 -2.05 0.00 0.00 46.19 44.86 2aep s LEU 50 CO 0.07 -0.80 -0.16 -0.51 -0.55 0.00 0.00 176.35 174.39 2aep s ILE 51 N -4.00 1.31 0.85 1.48 2.07 0.34 -1.48 121.20 121.78 2aep s ILE 51 Ca 0.19 -0.66 -0.10 0.00 -1.41 0.00 0.00 60.65 58.68 2aep s ILE 51 Cb 0.05 -1.13 0.16 0.00 0.13 0.00 0.00 42.46 41.67 2aep s ILE 51 CO 0.00 0.38 1.17 -0.13 -1.91 0.00 0.00 174.94 174.45 2aep s ARG 52 N 0.02 1.19 0.81 3.50 0.52 0.75 -1.01 118.95 124.73 2aep s ARG 52 Ca -0.03 -0.64 -0.07 0.00 -0.52 0.00 0.00 55.73 54.48 2aep s ARG 52 Cb -0.10 -2.05 0.17 0.00 0.52 0.00 0.00 34.95 33.49 2aep s ARG 52 CO 0.02 -1.94 1.11 0.27 0.02 0.00 0.00 175.30 174.77 2aep n ASN 52 N -3.34 0.82 -0.28 0.23 0.23 -1.26 -3.99 115.26 107.67 2aep n ASN 52 Ca 0.14 -1.85 -0.06 0.00 -0.53 0.00 0.00 54.58 52.29 2aep n ASN 52 Cb 0.60 -0.78 0.07 0.00 -2.08 0.00 0.00 39.78 37.59 2aep n ASN 52 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 2aep h LYS 52 N 0.00 1.17 -0.07 -3.83 3.64 -1.54 -1.80 116.57 114.14 2aep h LYS 52 Ca -0.36 -0.22 0.02 0.00 -1.27 0.00 0.00 60.65 58.81 2aep h LYS 52 Cb 1.18 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.81 2aep h LYS 52 CO 0.33 0.96 0.06 0.78 -2.27 0.00 0.00 179.45 179.31 2aep h GLY 52 N 1.14 0.00 -3.28 5.01 0.00 -1.94 0.11 103.07 104.11 2aep h GLY 52 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.58 2aep h GLY 52 CO -0.02 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.22 2aep n ASN 53 N -4.07 5.27 -0.92 0.19 3.02 -0.87 -4.96 115.26 112.92 2aep n ASN 53 Ca -0.01 -2.72 -0.11 0.00 -0.03 0.00 0.00 54.58 51.70 2aep n ASN 53 Cb 0.16 -0.64 -0.04 0.00 -0.61 0.00 0.00 39.78 38.65 2aep n ASN 53 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2aep n GLY 54 N 0.81 1.09 2.90 7.41 0.00 0.37 -3.13 105.19 114.64 2aep n GLY 54 Ca 0.27 -0.50 -0.20 0.00 0.00 0.00 0.00 46.02 45.59 2aep n GLY 54 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2aep n TYR 55 N -2.84 -1.66 -1.47 1.61 0.53 -0.73 -4.96 117.16 107.65 2aep n TYR 55 Ca -0.12 0.31 -0.29 0.00 -1.02 0.00 0.00 57.90 56.79 2aep n TYR 55 Cb 0.40 -3.60 0.14 0.00 -1.03 0.00 0.00 39.34 35.25 2aep n TYR 55 CO 0.00 0.00 0.00 0.95 -1.02 0.00 0.00 176.86 176.79 2aep s THR 56 N -2.96 2.15 0.06 -0.72 -4.23 -1.18 -4.41 115.64 104.34 2aep s THR 56 Ca 0.22 0.05 0.04 0.00 -1.18 0.00 0.00 61.69 60.82 2aep s THR 56 Cb -0.11 -2.75 -0.03 0.00 1.34 0.00 0.00 72.50 70.96 2aep s THR 56 CO 0.27 -0.06 -0.12 -0.04 -0.54 0.00 0.00 174.62 174.12 2aep s MET 57 N -5.21 0.75 0.00 3.99 -1.94 -1.26 -0.18 119.30 115.46 2aep s MET 57 Ca 0.64 -0.85 0.04 0.00 -1.71 0.00 0.00 55.69 53.81 2aep s MET 57 Cb -0.15 -0.70 -0.01 0.00 2.01 0.00 0.00 34.83 35.98 2aep s MET 57 CO 0.54 0.16 -0.12 -1.21 -0.01 0.00 0.00 175.02 174.37 2aep s GLU 58 N -1.54 0.96 0.03 2.03 0.41 -0.55 -4.98 118.70 115.06 2aep s GLU 58 Ca -0.03 -0.50 0.03 0.00 -0.41 0.00 0.00 54.97 54.06 2aep s GLU 58 Cb -0.09 -0.93 -0.02 0.00 -1.78 0.00 0.00 34.13 31.30 2aep s GLU 58 CO 0.02 0.25 -0.10 0.71 -0.49 0.00 0.00 175.26 175.64 2aep s TYR 59 N -0.41 0.90 -0.04 1.61 2.02 -1.26 -0.38 117.35 119.77 2aep s TYR 59 Ca 0.04 -0.33 -0.30 0.00 -0.37 0.00 0.00 57.07 56.11 2aep s TYR 59 Cb -0.05 -0.54 -0.05 0.00 -0.40 0.00 0.00 41.96 40.92 2aep s TYR 59 CO -0.00 -0.01 1.48 0.45 -1.57 0.00 0.00 175.55 175.90 2aep s SER 60 N -1.02 6.79 0.64 2.29 0.15 -0.33 -4.92 113.70 117.30 2aep s SER 60 Ca -0.02 2.11 0.37 0.00 0.70 0.00 0.00 55.95 59.11 2aep s SER 60 Cb -0.07 -2.55 2.06 0.00 -1.71 0.00 0.00 66.02 63.75 2aep s SER 60 CO 0.01 -0.81 2.24 0.00 1.20 0.00 0.00 173.24 175.87 2aep h ALA 61 N 8.53 1.30 0.00 5.45 0.00 -1.97 -2.64 119.26 129.93 2aep h ALA 61 Ca -0.37 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2aep h ALA 61 Cb 1.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2aep h ALA 61 CO 0.93 -0.10 0.00 0.66 0.00 0.00 0.00 179.25 180.74 2aep h SER 62 N 0.00 0.00 0.78 0.00 4.64 -1.98 -1.28 113.55 115.70 2aep h SER 62 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2aep h SER 62 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 2aep h SER 62 CO -0.00 0.00 -0.26 0.18 -0.87 0.00 0.00 176.83 175.88 2aep n LEU 63 N -2.44 0.29 -3.03 5.97 4.77 -1.00 -4.96 117.00 116.61 2aep n LEU 63 Ca 0.01 0.26 -0.14 0.00 -0.03 0.00 0.00 56.01 56.10 2aep n LEU 63 Cb 0.20 -0.36 0.07 0.00 -2.33 0.00 0.00 43.42 41.00 2aep n LEU 63 CO 0.19 0.05 0.09 0.29 -1.33 0.00 0.00 177.39 176.68 2aep n LYS 64 N -1.56 -5.44 -0.71 3.23 4.76 -0.49 -2.05 118.16 115.92 2aep n LYS 64 Ca 0.06 0.71 0.00 0.00 -2.87 0.00 0.00 58.31 56.21 2aep n LYS 64 Cb 0.35 -5.31 0.00 0.00 -1.84 0.00 0.00 35.03 28.22 2aep n LYS 64 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2aep n GLY 65 N -1.11 0.00 0.25 0.72 0.00 -1.26 -4.78 105.19 99.01 2aep n GLY 65 Ca -0.24 0.00 0.14 0.00 0.00 0.00 0.00 46.02 45.92 2aep n GLY 65 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2aep h ARG 66 N 0.00 0.00 -6.11 1.61 3.08 -1.74 -3.43 114.38 107.78 2aep h ARG 66 Ca 0.00 0.00 -0.69 0.00 0.07 0.00 0.00 59.98 59.36 2aep h ARG 66 Cb 0.59 0.00 -0.27 0.00 0.08 0.00 0.00 29.97 30.36 2aep h ARG 66 CO 0.00 0.10 -0.82 -0.06 -1.07 0.00 0.00 179.97 178.12 2aep s PHE 67 N -3.71 2.58 0.07 3.04 2.99 -1.26 -1.73 117.98 119.97 2aep s PHE 67 Ca 0.01 -0.46 0.01 0.00 0.00 0.00 0.00 56.93 56.48 2aep s PHE 67 Cb 0.10 -1.63 -0.04 0.00 0.00 0.00 0.00 43.02 41.45 2aep s PHE 67 CO 0.59 -0.04 -0.05 0.95 -0.00 0.00 0.00 175.22 176.67 2aep s THR 68 N -0.36 0.47 0.07 0.64 -4.23 -0.54 -5.00 115.64 106.69 2aep s THR 68 Ca 0.03 -1.82 0.07 0.00 -1.18 0.00 0.00 61.69 58.79 2aep s THR 68 Cb -0.12 -1.53 -0.03 0.00 1.34 0.00 0.00 72.50 72.16 2aep s THR 68 CO 0.02 -0.90 -0.20 -0.63 -0.54 0.00 0.00 174.62 172.38 2aep s ILE 69 N -3.60 1.58 0.22 2.99 1.01 -1.26 -1.27 121.20 120.86 2aep s ILE 69 Ca 0.08 -1.34 -0.07 0.00 0.00 0.00 0.00 60.65 59.32 2aep s ILE 69 Cb 0.05 -1.42 -0.02 0.00 0.01 0.00 0.00 42.46 41.08 2aep s ILE 69 CO -0.07 0.03 0.31 -0.94 0.00 0.00 0.00 174.94 174.27 2aep s SER 70 N -1.55 0.03 0.01 3.58 1.04 -1.05 -5.00 113.70 110.76 2aep s SER 70 Ca 0.06 -1.13 -0.01 0.00 0.48 0.00 0.00 55.95 55.35 2aep s SER 70 Cb -0.09 0.48 -0.01 0.00 0.10 0.00 0.00 66.02 66.50 2aep s SER 70 CO 0.03 -0.99 -0.00 0.00 0.98 0.00 0.00 173.24 173.26 2aep s ARG 71 N -4.08 0.17 -0.57 4.02 1.70 -1.26 -0.87 118.95 118.05 2aep s ARG 71 Ca 0.30 -0.28 -0.14 0.00 -0.47 0.00 0.00 55.73 55.14 2aep s ARG 71 Cb 0.03 0.06 0.14 0.00 -0.57 0.00 0.00 34.95 34.61 2aep s ARG 71 CO 0.10 -0.03 0.50 0.34 -1.08 0.00 0.00 175.30 175.13 2aep s ASP 72 N -0.71 6.14 0.48 -2.89 -1.08 0.70 -4.95 116.67 114.37 2aep s ASP 72 Ca -0.08 -1.99 0.24 0.00 -0.52 0.00 0.00 52.55 50.21 2aep s ASP 72 Cb -0.05 -2.16 1.23 0.00 -1.46 0.00 0.00 42.92 40.49 2aep s ASP 72 CO -0.00 -0.77 1.99 0.78 0.52 0.00 0.00 175.17 177.69 2aep h ASN 73 N 8.57 0.00 0.37 -0.34 2.35 -1.97 0.59 115.58 125.15 2aep h ASN 73 Ca -0.21 0.00 -0.26 0.00 -0.55 0.00 0.00 56.30 55.28 2aep h ASN 73 Cb 1.08 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.46 2aep h ASN 73 CO 0.95 0.18 -1.09 0.77 -1.65 0.00 0.00 177.43 176.58 2aep h SER 74 N 0.00 0.58 0.21 5.81 4.64 -1.95 -3.29 113.55 119.54 2aep h SER 74 Ca -0.00 -0.52 0.00 0.00 -0.47 0.00 0.00 61.79 60.80 2aep h SER 74 Cb 0.46 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 2aep h SER 74 CO 0.02 1.35 -0.31 0.00 -0.87 0.00 0.00 176.83 177.02 2aep n GLN 75 N -3.70 0.85 -3.37 4.77 6.02 -1.07 -4.97 117.38 115.92 2aep n GLN 75 Ca -0.09 -0.54 -0.18 0.00 -0.01 0.00 0.00 57.00 56.18 2aep n GLN 75 Cb 0.92 -1.49 0.08 0.00 1.02 0.00 0.00 30.24 30.77 2aep n GLN 75 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2aep n SER 76 N -0.60 -3.33 -4.27 1.08 7.64 0.16 -4.75 113.62 109.55 2aep n SER 76 Ca 0.11 -0.54 -0.30 0.00 1.01 0.00 0.00 58.87 59.15 2aep n SER 76 Cb 0.37 -4.70 -0.16 0.00 -1.01 0.00 0.00 64.21 58.70 2aep n SER 76 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2aep s ILE 77 N -3.32 1.92 0.11 0.44 1.01 -0.95 -1.60 121.20 118.82 2aep s ILE 77 Ca 0.17 -1.03 0.07 0.00 0.00 0.00 0.00 60.65 59.86 2aep s ILE 77 Cb -0.08 -1.60 -0.04 0.00 0.01 0.00 0.00 42.46 40.75 2aep s ILE 77 CO 0.67 0.54 -0.08 0.54 0.00 0.00 0.00 174.94 176.61 2aep s VAL 78 N -0.48 3.45 0.07 2.92 0.11 -0.50 -0.21 120.40 125.77 2aep s VAL 78 Ca 0.07 -1.27 0.06 0.00 -2.93 0.00 0.00 61.98 57.91 2aep s VAL 78 Cb -0.10 -2.63 -0.03 0.00 -1.53 0.00 0.00 36.38 32.09 2aep s VAL 78 CO -0.00 0.09 -0.16 -0.31 -3.33 0.00 0.00 175.10 171.38 2aep s TYR 79 N -1.28 1.39 -0.19 1.54 1.51 -0.05 -0.27 117.35 120.00 2aep s TYR 79 Ca 0.22 -0.43 0.01 0.00 -1.01 0.00 0.00 57.07 55.86 2aep s TYR 79 Cb -0.11 -0.78 0.03 0.00 -0.11 0.00 0.00 41.96 40.99 2aep s TYR 79 CO 0.15 0.09 -0.13 -1.17 -1.11 0.00 0.00 175.55 173.38 2aep s LEU 80 N -1.67 2.19 -0.26 -1.29 2.96 -0.49 -2.53 118.68 117.59 2aep s LEU 80 Ca 0.01 -0.78 -0.09 0.00 -0.22 0.00 0.00 54.13 53.05 2aep s LEU 80 Cb -0.10 -1.28 -0.04 0.00 0.50 0.00 0.00 46.19 45.27 2aep s LEU 80 CO 0.03 -0.10 0.12 -1.00 -1.32 0.00 0.00 176.35 174.08 2aep s HIS 81 N 1.38 3.15 -0.02 5.38 3.76 -0.40 -0.65 115.29 127.90 2aep s HIS 81 Ca 0.01 -0.17 0.05 0.00 -0.15 0.00 0.00 55.06 54.80 2aep s HIS 81 Cb -0.15 -2.29 -0.01 0.00 1.11 0.00 0.00 32.58 31.23 2aep s HIS 81 CO -0.09 -0.25 -0.16 -1.64 -0.85 0.00 0.00 174.74 171.74 2aep s MET 82 N 1.63 1.38 0.24 1.40 1.00 0.52 -1.46 119.30 124.01 2aep s MET 82 Ca 0.07 -0.59 0.01 0.00 0.00 0.00 0.00 55.69 55.18 2aep s MET 82 Cb -0.15 -1.32 -0.05 0.00 0.00 0.00 0.00 34.83 33.31 2aep s MET 82 CO 0.07 0.34 0.07 0.54 0.00 0.00 0.00 175.02 176.04 2aep s ASN 82 N -0.32 1.18 -1.25 3.03 2.20 -0.70 -0.57 114.94 118.50 2aep s ASN 82 Ca 0.05 -1.33 -0.06 0.00 -0.94 0.00 0.00 52.86 50.57 2aep s ASN 82 Cb -0.07 0.16 -0.01 0.00 -2.00 0.00 0.00 41.25 39.33 2aep s ASN 82 CO -0.00 -0.69 0.71 0.41 -2.94 0.00 0.00 177.10 174.59 2aep n THR 82 N -0.41 -5.18 -2.53 0.54 -1.04 -0.65 -4.86 114.28 100.16 2aep n THR 82 Ca -0.02 -0.72 -0.41 0.00 -2.04 0.00 0.00 64.05 60.87 2aep n THR 82 Cb 0.65 -4.09 -0.04 0.00 -1.82 0.00 0.00 70.33 65.04 2aep n THR 82 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2aep s LEU 82 N -6.52 4.50 0.00 -4.42 1.43 -0.40 -4.75 118.68 108.53 2aep s LEU 82 Ca 0.18 2.09 0.00 0.00 -1.03 0.00 0.00 54.13 55.37 2aep s LEU 82 Cb -0.05 -3.61 -0.00 0.00 0.03 0.00 0.00 46.19 42.56 2aep s LEU 82 CO 0.83 -0.19 0.02 0.35 0.23 0.00 0.00 176.35 177.58 2aep n THR 83 N 2.22 0.00 -0.14 5.49 -2.24 -1.26 -0.73 114.28 117.62 2aep n THR 83 Ca 0.02 -1.65 0.02 0.00 -2.27 0.00 0.00 64.05 60.17 2aep n THR 83 Cb 0.46 0.37 0.31 0.00 -2.10 0.00 0.00 70.33 69.38 2aep n THR 83 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2aep h ALA 84 N 1.22 1.57 0.00 6.98 0.00 -1.98 -2.11 119.26 124.95 2aep h ALA 84 Ca -0.28 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2aep h ALA 84 Cb 0.87 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2aep h ALA 84 CO 0.46 0.39 0.20 0.39 0.00 0.00 0.00 179.25 180.69 2aep n GLU 85 N -4.44 0.10 0.00 0.00 1.02 -1.26 -0.82 120.64 115.23 2aep n GLU 85 Ca 0.07 0.57 0.12 0.00 -0.02 0.00 0.00 57.16 57.90 2aep n GLU 85 Cb 0.06 -2.02 0.13 0.00 -0.02 0.00 0.00 31.44 29.59 2aep n GLU 85 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2aep n ASP 86 N -2.06 2.84 -4.67 1.62 8.00 -0.79 -4.89 116.55 116.59 2aep n ASP 86 Ca -0.01 -1.94 -0.42 0.00 0.71 0.00 0.00 54.79 53.13 2aep n ASP 86 Cb 0.22 0.02 -0.03 0.00 -0.02 0.00 0.00 41.12 41.32 2aep n ASP 86 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2aep s SER 87 N -2.02 6.63 0.08 -2.24 0.01 -0.00 -4.88 113.70 111.27 2aep s SER 87 Ca 0.28 2.35 -0.27 0.00 1.31 0.00 0.00 55.95 59.62 2aep s SER 87 Cb 0.20 -2.54 0.09 0.00 0.21 0.00 0.00 66.02 63.97 2aep s SER 87 CO 0.32 -0.92 1.06 0.00 0.41 0.00 0.00 173.24 174.10 2aep s ALA 88 N 3.67 -1.85 -0.12 1.44 0.00 -0.77 -4.38 121.76 119.74 2aep s ALA 88 Ca 0.75 0.43 -0.21 0.00 0.00 0.00 0.00 51.96 52.94 2aep s ALA 88 Cb -0.36 0.51 -0.04 0.00 0.00 0.00 0.00 23.12 23.23 2aep s ALA 88 CO 0.32 -0.99 0.59 0.99 0.00 0.00 0.00 175.76 176.66 2aep s THR 89 N -2.99 5.10 -0.17 0.00 2.01 0.02 -1.33 115.64 118.29 2aep s THR 89 Ca 0.12 1.17 -0.05 0.00 0.31 0.00 0.00 61.69 63.24 2aep s THR 89 Cb 0.00 -3.92 -0.03 0.00 0.01 0.00 0.00 72.50 68.56 2aep s THR 89 CO -0.01 0.25 0.01 -0.31 -0.69 0.00 0.00 174.62 173.87 2aep s TYR 90 N 0.98 3.13 0.03 4.92 1.51 -0.26 -1.07 117.35 126.60 2aep s TYR 90 Ca 0.30 -0.11 0.09 0.00 -1.01 0.00 0.00 57.07 56.34 2aep s TYR 90 Cb -0.16 -2.01 -0.03 0.00 -0.11 0.00 0.00 41.96 39.66 2aep s TYR 90 CO 0.13 0.07 -0.25 0.71 -1.11 0.00 0.00 175.55 175.10 2aep s TYR 91 N 0.32 2.22 -0.10 2.71 1.51 0.52 -1.43 117.35 123.10 2aep s TYR 91 Ca -0.00 -0.41 -0.05 0.00 -1.01 0.00 0.00 57.07 55.59 2aep s TYR 91 Cb -0.13 -1.35 -0.04 0.00 -0.11 0.00 0.00 41.96 40.33 2aep s TYR 91 CO 0.02 0.09 0.11 0.00 -1.11 0.00 0.00 175.55 174.66 2aep s ALA 93 N -1.02 -0.01 0.42 0.00 0.00 0.01 -1.47 121.76 119.70 2aep s ALA 93 Ca 0.16 0.03 -0.23 0.00 0.00 0.00 0.00 51.96 51.92 2aep s ALA 93 Cb -0.12 -0.02 -0.09 0.00 0.00 0.00 0.00 23.12 22.88 2aep s ALA 93 CO 0.05 -0.01 1.02 0.50 0.00 0.00 0.00 175.76 177.32 2aep s ARG 94 N 0.08 4.11 -0.15 0.00 3.52 0.32 -1.23 118.95 125.60 2aep s ARG 94 Ca -0.01 1.38 0.02 0.00 -0.13 0.00 0.00 55.73 56.99 2aep s ARG 94 Cb -0.01 -2.37 0.01 0.00 -1.56 0.00 0.00 34.95 31.02 2aep s ARG 94 CO -0.00 -0.17 -0.21 0.08 -0.81 0.00 0.00 175.30 174.19 2aep s VAL 95 N -1.84 2.03 -0.05 7.11 1.01 -0.69 -2.32 120.40 125.65 2aep s VAL 95 Ca 0.61 -0.95 -0.00 0.00 0.00 0.00 0.00 61.98 61.63 2aep s VAL 95 Cb -0.18 -1.81 -0.03 0.00 0.00 0.00 0.00 36.38 34.36 2aep s VAL 95 CO 0.22 0.54 -0.00 -0.62 0.00 0.00 0.00 175.10 175.24 2aep s ASP 96 N 0.95 5.16 -1.46 3.32 2.15 -0.13 -3.60 116.67 123.06 2aep s ASP 96 Ca -0.04 0.07 -0.09 0.00 0.43 0.00 0.00 52.55 52.92 2aep s ASP 96 Cb -0.15 -1.40 0.06 0.00 -0.30 0.00 0.00 42.92 41.13 2aep s ASP 96 CO -0.05 0.34 0.88 -1.22 -0.17 0.00 0.00 175.17 174.95 2aep n TYR 97 N 1.82 -2.17 0.00 -5.34 4.02 -1.26 -1.23 117.16 113.01 2aep n TYR 97 Ca -0.17 0.88 0.00 0.00 -0.01 0.00 0.00 57.90 58.60 2aep n TYR 97 Cb 0.53 -4.09 0.00 0.00 -0.02 0.00 0.00 39.34 35.76 2aep n TYR 97 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2aep n GLY 98 N -1.67 1.87 0.98 2.72 0.00 -1.26 -4.22 105.19 103.60 2aep n GLY 98 Ca -0.07 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.75 2aep n GLY 98 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2aep n THR 99 N 0.00 0.00 -3.18 2.61 -2.24 -1.17 -5.01 114.28 105.29 2aep n THR 99 Ca 0.00 -0.39 -0.45 0.00 -2.27 0.00 0.00 64.05 60.94 2aep n THR 99 Cb 0.00 0.63 -0.05 0.00 -2.10 0.00 0.00 70.33 68.81 2aep n THR 99 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2aep s ASN 100 N -1.26 6.18 -1.33 3.42 -0.87 -0.36 -4.98 114.94 115.74 2aep s ASN 100 Ca 0.13 -1.55 -0.16 0.00 -1.57 0.00 0.00 52.86 49.72 2aep s ASN 100 Cb 0.15 -2.27 0.08 0.00 -0.02 0.00 0.00 41.25 39.19 2aep s ASN 100 CO -0.07 -1.02 1.83 -1.22 -2.57 0.00 0.00 177.10 174.05 2aep n TYR 100 N 5.96 4.34 -0.00 2.20 4.02 -1.26 -0.96 117.16 131.46 2aep n TYR 100 Ca -0.11 -2.94 -0.10 0.00 -0.01 0.00 0.00 57.90 54.74 2aep n TYR 100 Cb 0.42 -2.53 -0.14 0.00 -0.02 0.00 0.00 39.34 37.07 2aep n TYR 100 CO 0.00 0.00 0.00 0.38 -1.01 0.00 0.00 176.86 176.23 2aep h ASP 101 N 7.04 0.06 -3.80 7.72 2.03 -1.83 -3.46 116.42 124.18 2aep h ASP 101 Ca 0.46 -0.13 -0.48 0.00 -0.73 0.00 0.00 57.03 56.16 2aep h ASP 101 Cb 0.80 -0.02 -0.31 0.00 -0.83 0.00 0.00 39.33 38.97 2aep h ASP 101 CO 1.55 1.11 -0.80 -0.31 -1.03 0.00 0.00 179.24 179.75 2aep s TYR 102 N -2.61 1.22 0.05 4.15 2.02 -1.25 -5.01 117.35 115.91 2aep s TYR 102 Ca -0.06 -0.34 0.07 0.00 -0.37 0.00 0.00 57.07 56.37 2aep s TYR 102 Cb 0.08 -0.85 -0.02 0.00 -0.40 0.00 0.00 41.96 40.76 2aep s TYR 102 CO 0.82 -0.14 -0.19 -1.58 -1.57 0.00 0.00 175.55 172.89 2aep s TRP 103 N 0.20 1.68 0.84 2.71 0.52 -1.26 -0.52 118.94 123.11 2aep s TRP 103 Ca -0.04 -0.37 -0.10 0.00 0.02 0.00 0.00 56.10 55.60 2aep s TRP 103 Cb -0.10 -0.99 0.14 0.00 -1.15 0.00 0.00 33.47 31.36 2aep s TRP 103 CO 0.01 0.09 1.17 0.20 0.02 0.00 0.00 176.95 178.44 2aep s GLY 104 N -1.22 1.73 0.35 0.98 0.00 -0.54 -4.83 107.32 103.79 2aep s GLY 104 Ca 0.06 -1.15 0.26 0.00 0.00 0.00 0.00 44.72 43.89 2aep s GLY 104 CO 0.02 -0.55 1.80 1.46 0.00 0.00 0.00 173.10 175.83 2aep h GLN 105 N -1.11 0.00 0.00 2.90 1.08 -1.92 -3.46 115.11 112.60 2aep h GLN 105 Ca -0.43 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.77 2aep h GLN 105 Cb 1.27 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.70 2aep h GLN 105 CO 0.48 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.77 2aep n GLY 106 N -0.31 0.93 2.83 3.46 0.00 -1.26 -5.05 105.19 105.78 2aep n GLY 106 Ca 0.01 -1.76 -0.15 0.00 0.00 0.00 0.00 46.02 44.12 2aep n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2aep s THR 107 N -2.95 0.08 -0.15 2.61 -1.32 -0.51 -4.73 115.64 108.68 2aep s THR 107 Ca 0.00 0.07 -0.15 0.00 -1.21 0.00 0.00 61.69 60.40 2aep s THR 107 Cb 0.00 -0.15 -0.05 0.00 -1.51 0.00 0.00 72.50 70.79 2aep s THR 107 CO 0.00 0.09 0.34 -0.89 -2.21 0.00 0.00 174.62 171.95 2aep s THR 108 N 0.66 5.27 -0.21 5.08 2.01 -1.26 -1.10 115.64 126.08 2aep s THR 108 Ca -0.06 0.66 -0.03 0.00 0.31 0.00 0.00 61.69 62.57 2aep s THR 108 Cb -0.09 -3.68 -0.00 0.00 0.01 0.00 0.00 72.50 68.74 2aep s THR 108 CO -0.02 0.38 -0.07 -0.22 -0.69 0.00 0.00 174.62 174.00 2aep s LEU 109 N 0.47 2.76 -0.13 4.42 2.96 -0.44 -0.21 118.68 128.51 2aep s LEU 109 Ca 0.19 -0.43 -0.00 0.00 -0.22 0.00 0.00 54.13 53.67 2aep s LEU 109 Cb -0.14 -1.69 -0.02 0.00 0.50 0.00 0.00 46.19 44.85 2aep s LEU 109 CO 0.06 -0.01 -0.13 -0.89 -1.32 0.00 0.00 176.35 174.06 2aep s THR 110 N 1.41 3.08 -0.49 3.68 2.01 0.15 -1.85 115.64 123.62 2aep s THR 110 Ca 0.05 -0.65 -0.09 0.00 0.31 0.00 0.00 61.69 61.30 2aep s THR 110 Cb -0.14 -2.29 0.13 0.00 0.01 0.00 0.00 72.50 70.20 2aep s THR 110 CO -0.05 0.53 0.37 -0.69 -0.69 0.00 0.00 174.62 174.09 2aep s VAL 111 N 0.30 4.30 0.07 3.82 1.01 -1.26 -1.77 120.40 126.87 2aep s VAL 111 Ca -0.10 -1.85 -0.09 0.00 0.00 0.00 0.00 61.98 59.95 2aep s VAL 111 Cb -0.16 -3.82 -0.00 0.00 0.00 0.00 0.00 36.38 32.40 2aep s VAL 111 CO 0.05 -0.80 0.18 -0.55 0.00 0.00 0.00 175.10 173.99 2aep s SER 112 N 2.63 0.11 0.22 3.32 0.15 -0.99 -4.03 113.70 115.11 2aep s SER 112 Ca 0.06 -0.58 0.00 0.00 0.70 0.00 0.00 55.95 56.14 2aep s SER 112 Cb -0.26 0.32 0.21 0.00 -1.71 0.00 0.00 66.02 64.58 2aep s SER 112 CO -0.01 -0.67 1.56 0.28 1.20 0.00 0.00 173.24 175.60 2aep h SER 113 N 2.99 0.49 -0.97 5.45 0.02 -1.96 -3.34 113.55 116.24 2aep h SER 113 Ca -0.33 -0.25 0.00 0.00 -0.84 0.00 0.00 61.79 60.37 2aep h SER 113 Cb 1.19 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.59 2aep h SER 113 CO 0.54 0.92 0.00 0.00 -1.14 0.00 0.00 176.83 177.15 2aep n ALA 114 N -2.50 0.00 -2.76 3.77 0.00 -1.26 -5.02 120.51 112.74 2aep n ALA 114 Ca -0.02 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.25 2aep n ALA 114 Cb 0.57 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.87 2aep n ALA 114 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2aep s LYS 115 N -2.67 0.50 -0.25 0.00 3.01 -1.26 -4.99 119.74 114.09 2aep s LYS 115 Ca 0.00 -0.22 -0.29 0.00 -1.01 0.00 0.00 55.97 54.45 2aep s LYS 115 Cb 0.00 -0.49 -0.06 0.00 -1.01 0.00 0.00 37.83 36.27 2aep s LYS 115 CO 0.00 0.13 2.23 2.41 0.51 0.00 0.00 175.35 180.63 2aep n THR 116 N 2.95 0.30 -1.47 2.17 -1.04 -1.26 -4.76 114.28 111.17 2aep n THR 116 Ca -0.13 -0.45 0.00 0.00 -2.04 0.00 0.00 64.05 61.43 2aep n THR 116 Cb 0.58 -2.45 0.00 0.00 -1.82 0.00 0.00 70.33 66.64 2aep n THR 116 CO 0.00 0.00 0.00 0.33 -0.64 0.00 0.00 175.07 174.76 2aep n PHE 148 N 11.64 -3.07 -2.43 -1.42 7.35 -1.26 -5.21 117.46 123.06 2aep n PHE 148 Ca 0.32 1.64 -0.18 0.00 -0.76 0.00 0.00 57.45 58.46 2aep n PHE 148 Cb 0.42 -2.58 0.10 0.00 0.35 0.00 0.00 39.48 37.77 2aep n PHE 148 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 2aep n PRO 149 N -1.08 -0.07 -1.69 -7.13 -0.04 -1.26 -5.07 135.00 118.65 2aep n PRO 149 Ca 0.00 -2.05 -0.38 0.00 -0.04 0.00 0.00 63.50 61.04 2aep n PRO 149 Cb 0.03 -0.58 0.05 0.00 -0.04 0.00 0.00 33.50 32.97 2aep n PRO 149 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2aep n GLU 150 N -2.52 1.25 -1.71 0.54 -0.58 -1.26 -4.76 120.64 111.59 2aep n GLU 150 Ca 0.13 0.47 -0.01 0.00 -0.42 0.00 0.00 57.16 57.33 2aep n GLU 150 Cb 0.46 -2.42 -0.00 0.00 -0.57 0.00 0.00 31.44 28.91 2aep n GLU 150 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 2aep n PRO 151 N -1.26 1.60 -3.92 3.49 -0.04 -1.26 -4.84 135.00 128.77 2aep n PRO 151 Ca 0.13 -0.12 -0.13 0.00 -0.04 0.00 0.00 63.50 63.34 2aep n PRO 151 Cb 0.46 0.02 -0.14 0.00 -0.04 0.00 0.00 33.50 33.80 2aep n PRO 151 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2aep s VAL 152 N -0.35 0.09 0.07 0.52 0.11 -1.26 -5.06 120.40 114.52 2aep s VAL 152 Ca 0.01 -0.01 -0.15 0.00 -2.93 0.00 0.00 61.98 58.89 2aep s VAL 152 Cb -0.00 -0.11 -0.06 0.00 -1.53 0.00 0.00 36.38 34.68 2aep s VAL 152 CO 0.00 0.04 0.49 -0.89 -3.33 0.00 0.00 175.10 171.42 2aep s THR 153 N 0.18 4.91 -0.12 5.04 2.01 -1.26 -5.10 115.64 121.31 2aep s THR 153 Ca -0.01 0.89 -0.06 0.00 0.31 0.00 0.00 61.69 62.82 2aep s THR 153 Cb -0.03 -3.76 0.05 0.00 0.01 0.00 0.00 72.50 68.77 2aep s THR 153 CO -0.01 0.45 0.28 -0.22 -0.69 0.00 0.00 174.62 174.43 2aep s LEU 154 N -1.41 0.30 -0.12 4.42 0.20 -1.26 -5.30 118.68 115.51 2aep s LEU 154 Ca 0.30 0.59 -0.12 0.00 0.69 0.00 0.00 54.13 55.59 2aep s LEU 154 Cb -0.17 0.84 0.03 0.00 -0.43 0.00 0.00 46.19 46.47 2aep s LEU 154 CO 0.17 -0.17 0.35 0.42 -0.29 0.00 0.00 176.35 176.82 2aep s THR 155 N 1.33 0.00 0.00 3.68 -4.23 -1.26 -5.14 115.64 110.02 2aep s THR 155 Ca -0.09 -0.03 0.00 0.00 -1.18 0.00 0.00 61.69 60.39 2aep s THR 155 Cb -0.10 -0.50 0.00 0.00 1.34 0.00 0.00 72.50 73.24 2aep s THR 155 CO -0.09 -0.02 0.00 0.61 -0.54 0.00 0.00 174.62 174.58 2aep n GLY 170 N 2.78 0.00 2.89 3.99 0.00 -1.26 -5.26 105.19 108.33 2aep n GLY 170 Ca -0.14 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.73 2aep n GLY 170 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2aep s VAL 171 N -0.22 -0.19 -0.48 1.61 1.01 -1.26 -5.12 120.40 115.75 2aep s VAL 171 Ca 0.00 0.28 0.03 0.00 0.00 0.00 0.00 61.98 62.29 2aep s VAL 171 Cb 0.00 -0.29 0.15 0.00 0.00 0.00 0.00 36.38 36.24 2aep s VAL 171 CO 0.00 0.12 0.29 -1.00 0.00 0.00 0.00 175.10 174.51 2aep s HIS 172 N 1.86 2.11 -0.27 5.22 3.76 -1.26 -5.09 115.29 121.63 2aep s HIS 172 Ca -0.02 -2.56 -0.25 0.00 -0.15 0.00 0.00 55.06 52.08 2aep s HIS 172 Cb -0.12 -1.88 0.00 0.00 1.11 0.00 0.00 32.58 31.69 2aep s HIS 172 CO -0.06 -0.75 0.86 0.99 -0.85 0.00 0.00 174.74 174.93 2aep s THR 173 N 0.02 4.78 0.60 1.30 2.01 -1.26 -3.31 115.64 119.78 2aep s THR 173 Ca 0.21 1.53 -0.09 0.00 0.31 0.00 0.00 61.69 63.65 2aep s THR 173 Cb -0.17 -4.17 -0.02 0.00 0.01 0.00 0.00 72.50 68.15 2aep s THR 173 CO -0.05 -0.17 0.97 -0.36 -0.69 0.00 0.00 174.62 174.31 2aep s PHE 174 N 2.99 3.49 0.00 4.92 0.40 -1.10 -4.99 117.98 123.68 2aep s PHE 174 Ca 0.36 1.02 0.00 0.00 -0.60 0.00 0.00 56.93 57.71 2aep s PHE 174 Cb -0.15 -2.71 0.00 0.00 0.51 0.00 0.00 43.02 40.68 2aep s PHE 174 CO 0.09 -0.73 0.00 -0.35 0.70 0.00 0.00 175.22 174.94 2aep n PRO 175 N -2.67 0.57 -3.24 0.24 -0.05 -1.26 -4.61 135.00 123.98 2aep n PRO 175 Ca 0.05 0.00 -0.13 0.00 -0.05 0.00 0.00 63.50 63.37 2aep n PRO 175 Cb 0.56 0.00 -0.04 0.00 -0.05 0.00 0.00 33.50 33.97 2aep n PRO 175 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 2aep n ALA 176 N -3.00 0.31 0.00 0.55 0.00 -1.26 -4.68 120.51 112.44 2aep n ALA 176 Ca 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 53.44 52.37 2aep n ALA 176 Cb 0.00 0.74 0.00 0.00 0.00 0.00 0.00 19.45 20.19 2aep n ALA 176 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2aep n THR 186 N -0.46 0.00 -3.93 0.00 5.66 -1.26 -5.23 114.28 109.07 2aep n THR 186 Ca -0.02 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.88 2aep n THR 186 Cb 0.32 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.04 2aep n THR 186 CO 0.00 0.00 0.00 -1.48 -3.05 0.00 0.00 175.07 170.54 2aep s LEU 187 N 0.00 0.72 0.00 1.09 2.34 -1.26 -5.16 118.68 116.41 2aep s LEU 187 Ca 0.00 -0.81 0.02 0.00 0.06 0.00 0.00 54.13 53.40 2aep s LEU 187 Cb 0.00 1.42 0.02 0.00 -0.56 0.00 0.00 46.19 47.07 2aep s LEU 187 CO 0.00 -0.95 0.18 -1.54 -1.06 0.00 0.00 176.35 172.98 2aep n SER 188 N -0.26 2.59 -2.81 1.48 3.41 -1.26 -5.02 113.62 111.74 2aep n SER 188 Ca -0.07 -2.49 -0.10 0.00 -0.26 0.00 0.00 58.87 55.95 2aep n SER 188 Cb 0.63 0.09 0.06 0.00 -0.26 0.00 0.00 64.21 64.73 2aep n SER 188 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2aep n SER 189 N -1.62 -1.11 0.00 4.04 3.41 -1.26 -2.73 113.62 114.35 2aep n SER 189 Ca -0.07 -3.15 0.00 0.00 -0.26 0.00 0.00 58.87 55.39 2aep n SER 189 Cb 0.46 0.88 0.00 0.00 -0.26 0.00 0.00 64.21 65.29 2aep n SER 189 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68