#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c3a n LEU 25 N 0.00 0.00 -4.63 6.55 -0.00 -1.26 -5.06 117.00 112.59 2c3a n LEU 25 Ca 0.00 -2.46 -0.34 0.00 -0.00 0.00 0.00 56.01 53.21 2c3a n LEU 25 Cb 0.00 0.58 -0.10 0.00 -0.00 0.00 0.00 43.42 43.89 2c3a n LEU 25 CO 0.00 -0.37 -0.34 1.51 -0.00 0.00 0.00 177.39 178.19 2c3a s ASP 26 N -3.05 4.97 -0.36 1.45 3.84 -1.26 -4.86 116.67 117.40 2c3a s ASP 26 Ca 0.09 0.07 -0.29 0.00 -0.00 0.00 0.00 52.55 52.42 2c3a s ASP 26 Cb 0.00 -1.35 -0.00 0.00 -1.38 0.00 0.00 42.92 40.19 2c3a s ASP 26 CO 0.06 0.37 1.50 -1.10 -0.00 0.00 0.00 175.17 176.00 2c3a s GLN 27 N -0.81 3.58 0.69 2.11 -1.52 -1.26 -5.02 119.66 117.43 2c3a s GLN 27 Ca 0.12 1.14 -0.12 0.00 -1.95 0.00 0.00 55.36 54.56 2c3a s GLN 27 Cb -0.11 -4.05 0.01 0.00 -0.22 0.00 0.00 33.01 28.64 2c3a s GLN 27 CO 0.02 -1.56 1.07 -0.51 -0.25 0.00 0.00 175.29 174.06 2c3a s LEU 28 N 5.61 3.19 0.37 2.90 1.43 -1.26 -5.07 118.68 125.85 2c3a s LEU 28 Ca 0.66 1.72 0.08 0.00 -1.03 0.00 0.00 54.13 55.56 2c3a s LEU 28 Cb -0.17 -4.51 -0.07 0.00 0.03 0.00 0.00 46.19 41.47 2c3a s LEU 28 CO 0.32 -1.54 -0.05 0.42 0.23 0.00 0.00 176.35 175.72 2c3a s THR 29 N -2.88 2.14 0.86 5.49 -4.23 -1.26 -4.94 115.64 110.82 2c3a s THR 29 Ca 0.60 -2.12 -0.10 0.00 -1.18 0.00 0.00 61.69 58.88 2c3a s THR 29 Cb -0.15 -2.78 0.11 0.00 1.34 0.00 0.00 72.50 71.01 2c3a s THR 29 CO 0.51 -0.12 1.11 -1.81 -0.54 0.00 0.00 174.62 173.77 2c3a s ASP 30 N -3.65 3.60 0.48 3.99 -0.00 -1.26 -5.01 116.67 114.82 2c3a s ASP 30 Ca 0.33 1.95 -0.23 0.00 -0.00 0.00 0.00 52.55 54.61 2c3a s ASP 30 Cb 0.05 -2.51 -0.07 0.00 -0.00 0.00 0.00 42.92 40.40 2c3a s ASP 30 CO 0.17 -2.63 1.20 -2.16 -0.00 0.00 0.00 175.17 171.75 2c3a s PRO 31 N -4.78 3.64 0.98 8.23 0.04 -1.26 -5.01 135.00 136.83 2c3a s PRO 31 Ca 0.64 1.86 -0.12 0.00 0.04 0.00 0.00 61.00 63.42 2c3a s PRO 31 Cb -0.20 -2.38 0.18 0.00 0.04 0.00 0.00 34.50 32.14 2c3a s PRO 31 CO 0.57 -0.68 1.09 -2.14 0.04 0.00 0.00 177.00 175.89 2c3a s PRO 32 N -2.74 0.57 -0.44 0.56 0.02 -1.26 -3.76 135.00 127.96 2c3a s PRO 32 Ca 0.65 0.57 0.00 0.00 0.02 0.00 0.00 61.00 62.24 2c3a s PRO 32 Cb -0.31 -1.75 0.00 0.00 0.02 0.00 0.00 34.50 32.46 2c3a s PRO 32 CO 0.37 -2.65 0.00 0.41 -0.33 0.00 0.00 177.00 174.80 2c3a n GLY 33 N -1.09 0.34 2.71 0.52 0.00 -1.26 -5.04 105.19 101.36 2c3a n GLY 33 Ca 0.06 -0.74 -0.26 0.00 0.00 0.00 0.00 46.02 45.08 2c3a n GLY 33 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2c3a s VAL 34 N -2.22 0.32 -0.16 1.61 -7.23 -1.25 -4.48 120.40 106.99 2c3a s VAL 34 Ca 0.00 -0.30 -0.23 0.00 -1.81 0.00 0.00 61.98 59.64 2c3a s VAL 34 Cb 0.00 -0.80 -0.02 0.00 0.56 0.00 0.00 36.38 36.12 2c3a s VAL 34 CO 0.00 -0.13 0.71 -0.60 -0.31 0.00 0.00 175.10 174.77 2c3a s ARG 35 N 1.96 4.29 0.03 4.82 3.52 -0.18 -4.99 118.95 128.39 2c3a s ARG 35 Ca 0.01 0.80 -0.20 0.00 -0.13 0.00 0.00 55.73 56.21 2c3a s ARG 35 Cb -0.16 -3.55 -0.06 0.00 -1.56 0.00 0.00 34.95 29.63 2c3a s ARG 35 CO -0.08 -0.20 0.59 1.03 -0.81 0.00 0.00 175.30 175.83 2c3a s ARG 36 N 1.74 4.28 0.03 5.12 1.81 -1.25 -1.66 118.95 129.02 2c3a s ARG 36 Ca 0.34 0.74 0.00 0.00 -1.72 0.00 0.00 55.73 55.09 2c3a s ARG 36 Cb -0.16 -3.30 -0.03 0.00 -0.45 0.00 0.00 34.95 31.01 2c3a s ARG 36 CO 0.13 0.48 -0.04 0.00 -0.68 0.00 0.00 175.30 175.18 2c3a h TYR 38 N 4.22 0.40 -3.33 0.00 0.99 -1.81 -2.40 116.97 115.04 2c3a h TYR 38 Ca -0.33 -0.18 -0.16 0.00 2.00 0.00 0.00 58.73 60.06 2c3a h TYR 38 Cb 1.19 -0.06 -0.23 0.00 1.00 0.00 0.00 36.73 38.63 2c3a h TYR 38 CO 0.63 0.91 -0.47 -1.01 -0.00 0.00 0.00 178.16 178.22 2c3a s HIS 39 N -3.57 -0.12 0.12 4.88 3.76 -1.26 -4.87 115.29 114.23 2c3a s HIS 39 Ca -0.04 0.25 0.00 0.00 -0.15 0.00 0.00 55.06 55.12 2c3a s HIS 39 Cb 0.11 0.03 0.00 0.00 1.11 0.00 0.00 32.58 33.83 2c3a s HIS 39 CO 0.82 -0.20 0.00 -0.89 -0.85 0.00 0.00 174.74 173.62 2c3a n ILE 40 N 2.25 0.94 -2.54 0.60 5.41 -1.26 -4.52 119.36 120.24 2c3a n ILE 40 Ca -0.17 0.31 -0.26 0.00 1.00 0.00 0.00 62.75 63.63 2c3a n ILE 40 Cb 0.57 -1.41 0.03 0.00 -0.71 0.00 0.00 39.64 38.12 2c3a n ILE 40 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 2c3a s GLN 41 N -2.00 2.97 -0.02 0.38 -1.52 -1.26 -5.02 119.66 113.19 2c3a s GLN 41 Ca 0.00 -0.12 -0.21 0.00 -1.95 0.00 0.00 55.36 53.09 2c3a s GLN 41 Cb 0.00 -2.34 -0.27 0.00 -0.22 0.00 0.00 33.01 30.18 2c3a s GLN 41 CO 0.00 -0.59 1.02 0.00 -0.25 0.00 0.00 175.29 175.47 2c3a h ALA 42 N -0.03 0.01 -2.75 6.09 0.00 -1.99 -3.48 119.26 117.10 2c3a h ALA 42 Ca -0.46 -0.62 -0.00 0.00 0.00 0.00 0.00 54.91 53.83 2c3a h ALA 42 Cb 1.25 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 2c3a h ALA 42 CO 0.60 0.36 -0.00 0.41 0.00 0.00 0.00 179.25 180.61 2c3a n GLY 43 N 1.31 3.48 3.80 0.00 0.00 -1.26 -4.66 105.19 107.86 2c3a n GLY 43 Ca -0.12 -1.49 -0.34 0.00 0.00 0.00 0.00 46.02 44.07 2c3a n GLY 43 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2c3a s LEU 44 N 0.00 3.95 0.48 0.99 1.43 0.66 -4.97 118.68 121.23 2c3a s LEU 44 Ca 0.00 1.90 -0.22 0.00 -1.03 0.00 0.00 54.13 54.77 2c3a s LEU 44 Cb 0.00 -4.45 -0.07 0.00 0.03 0.00 0.00 46.19 41.71 2c3a s LEU 44 CO 0.00 -0.59 1.21 -2.16 0.23 0.00 0.00 176.35 175.04 2c3a s PRO 45 N -3.00 3.59 -0.38 1.29 0.04 -1.26 -4.73 135.00 130.54 2c3a s PRO 45 Ca 0.63 1.87 -0.22 0.00 0.04 0.00 0.00 61.00 63.32 2c3a s PRO 45 Cb -0.16 -2.35 0.01 0.00 0.04 0.00 0.00 34.50 32.04 2c3a s PRO 45 CO 0.20 -0.72 0.70 0.34 0.04 0.00 0.00 177.00 177.56 2c3a s ASP 46 N -1.29 6.45 0.11 6.66 -1.08 -1.26 -4.95 116.67 121.31 2c3a s ASP 46 Ca 0.66 0.13 0.19 0.00 -0.52 0.00 0.00 52.55 53.01 2c3a s ASP 46 Cb -0.31 -2.35 0.80 0.00 -1.46 0.00 0.00 42.92 39.59 2c3a s ASP 46 CO 0.37 -0.69 1.59 -0.81 0.52 0.00 0.00 175.17 176.15 2c3a n PRO 47 N 6.26 0.09 -0.01 4.34 -0.04 -1.26 -1.81 135.00 142.57 2c3a n PRO 47 Ca 0.00 0.31 0.14 0.00 -0.04 0.00 0.00 63.50 63.91 2c3a n PRO 47 Cb 0.48 -1.67 0.54 0.00 -0.04 0.00 0.00 33.50 32.81 2c3a n PRO 47 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2c3a n PHE 48 N -1.83 0.03 -2.46 0.54 3.01 -1.26 -4.85 117.46 110.64 2c3a n PHE 48 Ca 0.03 -0.02 -0.43 0.00 1.01 0.00 0.00 57.45 58.05 2c3a n PHE 48 Cb 0.21 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.66 2c3a n PHE 48 CO 0.00 0.00 0.00 -1.14 1.01 0.00 0.00 176.76 176.63 2c3a s GLN 49 N -1.97 4.25 0.02 -1.08 2.00 -0.75 -4.96 119.66 117.17 2c3a s GLN 49 Ca 0.38 1.62 -0.36 0.00 -2.00 0.00 0.00 55.36 55.00 2c3a s GLN 49 Cb 0.20 -3.73 -0.15 0.00 0.80 0.00 0.00 33.01 30.13 2c3a s GLN 49 CO 0.33 -0.67 1.56 -2.30 -0.50 0.00 0.00 175.29 173.70 2c3a n PRO 50 N 6.45 1.59 -0.12 1.67 -0.02 -1.26 -4.96 135.00 138.35 2c3a n PRO 50 Ca 0.13 0.58 -0.02 0.00 -2.02 0.00 0.00 63.50 62.17 2c3a n PRO 50 Cb 0.45 -2.29 0.01 0.00 -0.02 0.00 0.00 33.50 31.65 2c3a n PRO 50 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2c3a n PRO 51 N 3.88 -0.23 0.13 0.52 -0.04 -1.26 -5.01 135.00 133.00 2c3a n PRO 51 Ca 0.20 -0.13 0.10 0.00 -0.04 0.00 0.00 63.50 63.63 2c3a n PRO 51 Cb 0.22 -0.09 0.04 0.00 -0.04 0.00 0.00 33.50 33.64 2c3a n PRO 51 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2c3a h SER 52 N -0.25 0.00 -4.17 3.54 0.02 -1.54 -3.47 113.55 107.69 2c3a h SER 52 Ca -0.03 0.00 -0.41 0.00 -0.84 0.00 0.00 61.79 60.51 2c3a h SER 52 Cb 0.08 0.00 -0.19 0.00 0.14 0.00 0.00 62.40 62.43 2c3a h SER 52 CO 0.02 0.06 -0.76 -0.76 -1.14 0.00 0.00 176.83 174.25 2c3a s LEU 53 N -5.68 2.38 0.65 5.07 1.43 -1.25 -5.01 118.68 116.26 2c3a s LEU 53 Ca 0.02 -0.77 -0.18 0.00 -1.03 0.00 0.00 54.13 52.17 2c3a s LEU 53 Cb 0.08 -0.53 -0.01 0.00 0.03 0.00 0.00 46.19 45.76 2c3a s LEU 53 CO 0.75 -0.14 1.25 -2.65 0.23 0.00 0.00 176.35 175.80 2c3a n PRO 54 N 0.70 1.07 -2.78 1.29 -0.02 -1.26 -4.77 135.00 129.23 2c3a n PRO 54 Ca -0.17 0.42 -0.40 0.00 -2.02 0.00 0.00 63.50 61.33 2c3a n PRO 54 Cb 0.56 -2.49 -0.06 0.00 -0.02 0.00 0.00 33.50 31.50 2c3a n PRO 54 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2c3a s ILE 55 N -1.41 4.23 0.12 4.25 1.01 -1.26 -4.92 121.20 123.22 2c3a s ILE 55 Ca 0.82 2.02 0.07 0.00 0.00 0.00 0.00 60.65 63.57 2c3a s ILE 55 Cb -0.38 -4.30 -0.04 0.00 0.01 0.00 0.00 42.46 37.75 2c3a s ILE 55 CO 0.41 0.45 -0.08 -0.89 0.00 0.00 0.00 174.94 174.83 2c3a s THR 56 N -0.85 3.47 -0.08 2.92 2.01 -1.26 -5.01 115.64 116.85 2c3a s THR 56 Ca 0.42 -1.29 0.03 0.00 0.31 0.00 0.00 61.69 61.16 2c3a s THR 56 Cb -0.25 -2.65 0.01 0.00 0.01 0.00 0.00 72.50 69.62 2c3a s THR 56 CO 0.30 0.07 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.45 2c3a s VAL 57 N -1.32 1.47 0.09 3.82 1.01 -1.26 -1.35 120.40 122.86 2c3a s VAL 57 Ca 0.23 -0.68 0.10 0.00 0.00 0.00 0.00 61.98 61.63 2c3a s VAL 57 Cb -0.11 -1.31 -0.03 0.00 0.00 0.00 0.00 36.38 34.93 2c3a s VAL 57 CO 0.15 0.43 -0.26 -0.31 0.00 0.00 0.00 175.10 175.11 2c3a s TYR 58 N 0.54 2.23 0.09 5.22 1.51 -0.46 -4.64 117.35 121.84 2c3a s TYR 58 Ca -0.16 -0.39 -0.03 0.00 -1.01 0.00 0.00 57.07 55.48 2c3a s TYR 58 Cb -0.17 -1.26 -0.05 0.00 -0.11 0.00 0.00 41.96 40.38 2c3a s TYR 58 CO 0.06 0.23 0.29 0.71 -1.11 0.00 0.00 175.55 175.73 2c3a s TYR 59 N -0.96 3.50 -0.06 2.71 1.51 0.25 -0.15 117.35 124.16 2c3a s TYR 59 Ca 0.12 0.42 -0.02 0.00 -1.01 0.00 0.00 57.07 56.58 2c3a s TYR 59 Cb -0.10 -1.89 0.03 0.00 -0.11 0.00 0.00 41.96 39.89 2c3a s TYR 59 CO 0.04 0.52 0.03 0.00 -1.11 0.00 0.00 175.55 175.03 2c3a s ALA 60 N -1.56 0.51 -0.21 3.71 0.00 0.17 -1.67 121.76 122.70 2c3a s ALA 60 Ca 0.37 -0.00 -0.03 0.00 0.00 0.00 0.00 51.96 52.29 2c3a s ALA 60 Cb -0.13 -0.70 -0.01 0.00 0.00 0.00 0.00 23.12 22.29 2c3a s ALA 60 CO 0.25 -0.48 -0.05 0.08 0.00 0.00 0.00 175.76 175.56 2c3a s VAL 61 N 2.06 3.32 -0.85 0.00 1.01 -1.26 -1.97 120.40 122.70 2c3a s VAL 61 Ca 0.05 -0.51 -0.19 0.00 0.00 0.00 0.00 61.98 61.32 2c3a s VAL 61 Cb -0.12 -2.50 0.12 0.00 0.00 0.00 0.00 36.38 33.88 2c3a s VAL 61 CO -0.04 0.43 1.05 -0.22 0.00 0.00 0.00 175.10 176.32 2c3a s LEU 62 N 1.40 5.01 0.05 3.92 2.96 -0.82 -4.86 118.68 126.34 2c3a s LEU 62 Ca 0.05 -1.82 -0.24 0.00 -0.22 0.00 0.00 54.13 51.89 2c3a s LEU 62 Cb -0.14 -2.39 -0.17 0.00 0.50 0.00 0.00 46.19 43.99 2c3a s LEU 62 CO -0.03 -1.12 1.57 -0.08 -1.32 0.00 0.00 176.35 175.36 2c3a h GLU 63 N 8.97 -0.07 -6.63 1.98 4.57 -1.95 -2.21 114.58 119.23 2c3a h GLU 63 Ca 0.04 0.01 -0.68 0.00 -1.18 0.00 0.00 59.36 57.54 2c3a h GLU 63 Cb 1.04 0.02 -0.20 0.00 -0.16 0.00 0.00 28.75 29.45 2c3a h GLU 63 CO 1.11 0.10 -0.79 -0.98 -1.18 0.00 0.00 179.01 177.26 2c3a s ARG 64 N -5.54 1.96 0.07 1.92 3.03 -1.26 -3.83 118.95 115.31 2c3a s ARG 64 Ca -0.14 -1.06 0.13 0.00 2.03 0.00 0.00 55.73 56.69 2c3a s ARG 64 Cb 0.04 -2.17 0.58 0.00 -1.03 0.00 0.00 34.95 32.37 2c3a s ARG 64 CO 0.65 0.51 1.41 0.00 -1.13 0.00 0.00 175.30 176.75 2c3a n ALA 65 N 1.15 1.47 -0.04 7.88 0.00 -1.26 -2.34 120.51 127.37 2c3a n ALA 65 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2c3a n ALA 65 Cb 0.52 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.76 2c3a n ALA 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2c3a n ARG 67 N -0.54 -2.06 -4.23 0.00 5.12 -0.99 -4.29 116.66 109.68 2c3a n ARG 67 Ca 0.00 -1.94 -0.25 0.00 -1.93 0.00 0.00 57.85 53.74 2c3a n ARG 67 Cb 0.01 -1.48 -0.07 0.00 -1.16 0.00 0.00 32.46 29.76 2c3a n ARG 67 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 2c3a s SER 68 N -5.30 4.78 0.02 0.55 0.01 -1.26 -2.42 113.70 110.08 2c3a s SER 68 Ca 0.74 -0.47 0.03 0.00 1.31 0.00 0.00 55.95 57.56 2c3a s SER 68 Cb -0.04 -1.00 -0.02 0.00 0.21 0.00 0.00 66.02 65.18 2c3a s SER 68 CO 0.54 0.04 -0.11 0.54 0.41 0.00 0.00 173.24 174.66 2c3a s VAL 69 N -2.00 0.83 -0.18 3.43 0.11 0.62 -1.77 120.40 121.45 2c3a s VAL 69 Ca 0.30 -0.75 0.01 0.00 -2.93 0.00 0.00 61.98 58.60 2c3a s VAL 69 Cb -0.08 -0.75 0.03 0.00 -1.53 0.00 0.00 36.38 34.04 2c3a s VAL 69 CO 0.20 0.01 -0.16 -0.22 -3.33 0.00 0.00 175.10 171.60 2c3a s LEU 70 N -0.83 2.08 -0.59 2.54 2.96 -0.66 0.87 118.68 125.04 2c3a s LEU 70 Ca 0.00 -0.67 -0.25 0.00 -0.22 0.00 0.00 54.13 52.99 2c3a s LEU 70 Cb -0.06 -1.34 0.04 0.00 0.50 0.00 0.00 46.19 45.32 2c3a s LEU 70 CO 0.00 -0.05 1.04 -0.76 -1.32 0.00 0.00 176.35 175.26 2c3a s LEU 71 N 1.36 3.88 0.04 -0.68 1.43 0.24 -3.51 118.68 121.44 2c3a s LEU 71 Ca 0.03 -0.33 0.02 0.00 -1.03 0.00 0.00 54.13 52.82 2c3a s LEU 71 Cb -0.14 -2.83 -0.02 0.00 0.03 0.00 0.00 46.19 43.23 2c3a s LEU 71 CO -0.11 -1.38 -0.06 0.54 0.23 0.00 0.00 176.35 175.57 2c3a s ASN 72 N 3.07 0.68 -0.14 2.29 4.22 -1.26 -1.26 114.94 122.55 2c3a s ASN 72 Ca 0.33 -0.54 -0.32 0.00 -2.14 0.00 0.00 52.86 50.19 2c3a s ASN 72 Cb -0.11 0.06 0.13 0.00 1.28 0.00 0.00 41.25 42.60 2c3a s ASN 72 CO 0.19 -0.24 1.09 0.00 -2.04 0.00 0.00 177.10 176.11 2c3a s ALA 73 N -1.44 -1.98 0.19 3.54 0.00 -1.26 -4.52 121.76 116.29 2c3a s ALA 73 Ca -0.11 1.45 -0.33 0.00 0.00 0.00 0.00 51.96 52.97 2c3a s ALA 73 Cb -0.10 -0.18 -0.15 0.00 0.00 0.00 0.00 23.12 22.69 2c3a s ALA 73 CO -0.00 -0.54 1.34 -2.30 0.00 0.00 0.00 175.76 174.26 2c3a n PRO 74 N 0.06 1.67 -4.37 0.00 -0.02 -1.26 -5.00 135.00 126.08 2c3a n PRO 74 Ca -0.04 0.60 -0.31 0.00 -2.02 0.00 0.00 63.50 61.72 2c3a n PRO 74 Cb 0.59 -2.21 -0.10 0.00 -0.02 0.00 0.00 33.50 31.76 2c3a n PRO 74 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2c3a s SER 75 N 0.30 4.51 0.03 2.55 0.15 -1.26 -5.00 113.70 114.98 2c3a s SER 75 Ca 0.73 -0.25 0.24 0.00 0.70 0.00 0.00 55.95 57.37 2c3a s SER 75 Cb -0.75 -0.97 1.01 0.00 -1.71 0.00 0.00 66.02 63.60 2c3a s SER 75 CO 0.48 0.23 1.77 1.21 1.20 0.00 0.00 173.24 178.14 2c3a n GLU 76 N 1.17 0.03 0.03 5.44 4.07 -1.26 -4.38 120.64 125.75 2c3a n GLU 76 Ca -0.14 0.11 -0.10 0.00 -0.06 0.00 0.00 57.16 56.96 2c3a n GLU 76 Cb 0.52 -1.54 -0.04 0.00 -0.06 0.00 0.00 31.44 30.32 2c3a n GLU 76 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2c3a h ALA 77 N 2.78 -0.14 -0.17 4.31 0.00 -1.97 -2.24 119.26 121.83 2c3a h ALA 77 Ca 0.00 0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.98 2c3a h ALA 77 Cb 0.44 0.29 -0.06 0.00 0.00 0.00 0.00 17.79 18.47 2c3a h ALA 77 CO 0.00 -0.63 -0.21 -1.35 0.00 0.00 0.00 179.25 177.06 2c3a h PRO 78 N -0.23 -0.24 -0.70 0.00 0.11 -2.01 -0.82 132.00 128.11 2c3a h PRO 78 Ca 0.07 0.02 0.17 0.00 0.11 0.00 0.00 66.00 66.37 2c3a h PRO 78 Cb 0.33 0.05 -0.04 0.00 0.11 0.00 0.00 31.00 31.45 2c3a h PRO 78 CO -0.19 -0.16 0.49 1.96 -0.21 0.00 0.00 178.00 179.89 2c3a h GLN 79 N -0.25 0.17 -0.61 1.05 7.50 -1.77 -0.28 115.11 120.92 2c3a h GLN 79 Ca 0.11 -0.01 -0.05 0.00 0.50 0.00 0.00 58.65 59.20 2c3a h GLN 79 Cb 0.41 -0.04 -0.03 0.00 0.05 0.00 0.00 27.48 27.88 2c3a h GLN 79 CO -0.31 0.11 0.18 0.82 -1.50 0.00 0.00 178.83 178.13 2c3a h ILE 80 N 0.18 1.25 0.04 2.54 1.08 -0.56 -0.93 117.51 121.11 2c3a h ILE 80 Ca 0.34 -0.86 -0.00 0.00 -0.39 0.00 0.00 64.86 63.95 2c3a h ILE 80 Cb 1.09 0.64 0.00 0.00 -3.07 0.00 0.00 36.82 35.48 2c3a h ILE 80 CO -0.06 0.33 -0.02 0.58 -0.69 0.00 0.00 178.15 178.29 2c3a h VAL 81 N 0.88 0.00 0.00 1.67 2.07 -0.76 -3.27 116.25 116.84 2c3a h VAL 81 Ca 0.20 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.69 2c3a h VAL 81 Cb 0.31 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.08 2c3a h VAL 81 CO -0.00 0.00 0.00 -2.11 0.02 0.00 0.00 177.57 175.48 2c3a n ARG 82 N -2.22 0.18 -2.34 1.57 1.85 -0.43 -2.50 116.66 112.77 2c3a n ARG 82 Ca -0.01 0.15 -0.24 0.00 -1.00 0.00 0.00 57.85 56.75 2c3a n ARG 82 Cb 0.02 -1.50 0.01 0.00 -1.05 0.00 0.00 32.46 29.94 2c3a n ARG 82 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2c3a n GLY 83 N 0.16 5.75 3.91 2.89 0.00 -0.36 -5.05 105.19 112.50 2c3a n GLY 83 Ca 0.07 -2.59 -0.31 0.00 0.00 0.00 0.00 46.02 43.20 2c3a n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c3a s ALA 84 N -3.55 3.88 0.27 4.61 0.00 -1.04 -4.84 121.76 121.09 2c3a s ALA 84 Ca 0.47 -0.70 -0.29 0.00 0.00 0.00 0.00 51.96 51.44 2c3a s ALA 84 Cb 0.40 -2.00 -0.14 0.00 0.00 0.00 0.00 23.12 21.38 2c3a s ALA 84 CO -0.09 0.69 1.00 0.45 0.00 0.00 0.00 175.76 177.81 2c3a n SER 85 N 0.04 1.15 -0.20 0.00 2.88 -1.26 -4.88 113.62 111.34 2c3a n SER 85 Ca -0.04 1.17 0.01 0.00 -1.33 0.00 0.00 58.87 58.69 2c3a n SER 85 Cb 0.52 -1.26 0.12 0.00 -0.75 0.00 0.00 64.21 62.84 2c3a n SER 85 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 2c3a h GLU 86 N 2.10 0.28 -0.01 -1.46 4.81 -2.00 -2.48 114.58 115.82 2c3a h GLU 86 Ca -0.39 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 58.83 2c3a h GLU 86 Cb 1.35 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.65 2c3a h GLU 86 CO 0.62 0.19 -0.04 0.22 -0.73 0.00 0.00 179.01 179.26 2c3a h ASP 87 N 0.29 -0.13 1.09 1.04 1.82 -2.04 -3.15 116.42 115.34 2c3a h ASP 87 Ca 0.32 0.02 -0.02 0.00 -0.39 0.00 0.00 57.03 56.97 2c3a h ASP 87 Cb 0.48 0.06 -0.00 0.00 0.68 0.00 0.00 39.33 40.54 2c3a h ASP 87 CO -0.40 -0.07 -0.10 1.62 -1.61 0.00 0.00 179.24 178.69 2c3a h VAL 88 N -0.07 0.24 0.00 2.25 3.04 -1.89 -2.86 116.25 116.95 2c3a h VAL 88 Ca 0.02 -0.83 -0.00 0.00 -1.01 0.00 0.00 66.70 64.87 2c3a h VAL 88 Cb 0.10 1.68 -0.00 0.00 -2.01 0.00 0.00 31.29 31.06 2c3a h VAL 88 CO -0.05 0.10 -0.01 0.03 -1.01 0.00 0.00 177.57 176.62 2c3a h ARG 89 N 0.00 0.00 -0.95 4.17 3.08 -1.40 -2.96 114.38 116.32 2c3a h ARG 89 Ca -0.00 0.00 0.21 0.00 0.07 0.00 0.00 59.98 60.26 2c3a h ARG 89 Cb 0.67 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.65 2c3a h ARG 89 CO 0.01 0.01 0.62 0.87 -1.07 0.00 0.00 179.97 180.41 2c3a h LYS 90 N 0.00 0.45 -5.57 0.04 1.79 -1.62 -3.41 116.57 108.25 2c3a h LYS 90 Ca -0.00 -0.03 -0.66 0.00 -2.18 0.00 0.00 60.65 57.79 2c3a h LYS 90 Cb 0.24 -0.10 -0.22 0.00 -1.58 0.00 0.00 32.23 30.57 2c3a h LYS 90 CO 0.00 0.30 -0.70 -1.14 -1.08 0.00 0.00 179.45 176.83 2c3a s GLN 91 N -5.50 3.32 0.71 3.15 2.00 -1.12 -5.12 119.66 117.11 2c3a s GLN 91 Ca -0.09 -0.57 -0.14 0.00 -2.00 0.00 0.00 55.36 52.57 2c3a s GLN 91 Cb 0.23 -2.75 0.03 0.00 0.80 0.00 0.00 33.01 31.33 2c3a s GLN 91 CO 0.79 0.37 1.12 -1.25 -0.50 0.00 0.00 175.29 175.82 2c3a s PRO 92 N -0.01 2.46 0.09 1.67 0.04 -1.26 -4.92 135.00 133.07 2c3a s PRO 92 Ca -0.01 1.39 0.04 0.00 0.04 0.00 0.00 61.00 62.46 2c3a s PRO 92 Cb -0.14 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.46 2c3a s PRO 92 CO 0.03 -1.52 0.07 1.52 0.04 0.00 0.00 177.00 177.14 2c3a s TYR 93 N -2.46 3.14 0.01 0.56 -0.85 -0.37 -4.70 117.35 112.69 2c3a s TYR 93 Ca 0.66 0.04 -0.20 0.00 -0.52 0.00 0.00 57.07 57.06 2c3a s TYR 93 Cb -0.21 -1.59 -0.06 0.00 0.38 0.00 0.00 41.96 40.49 2c3a s TYR 93 CO 0.47 0.51 0.58 -0.80 -1.52 0.00 0.00 175.55 174.80 2c3a s ASN 94 N -2.48 6.99 -0.06 -0.18 0.01 -1.26 -2.16 114.94 115.80 2c3a s ASN 94 Ca 0.29 1.18 0.06 0.00 -0.71 0.00 0.00 52.86 53.68 2c3a s ASN 94 Cb -0.12 -2.36 -0.01 0.00 0.41 0.00 0.00 41.25 39.17 2c3a s ASN 94 CO 0.21 0.15 -0.24 -0.22 -1.51 0.00 0.00 177.10 175.49 2c3a s LEU 95 N -0.42 2.14 -0.05 0.60 2.96 -0.82 -1.61 118.68 121.48 2c3a s LEU 95 Ca 0.30 -0.48 0.03 0.00 -0.22 0.00 0.00 54.13 53.77 2c3a s LEU 95 Cb -0.18 -1.39 0.00 0.00 0.50 0.00 0.00 46.19 45.11 2c3a s LEU 95 CO 0.17 0.25 -0.15 -0.89 -1.32 0.00 0.00 176.35 174.42 2c3a s THR 96 N -0.22 1.29 -0.12 3.68 2.01 0.11 -0.24 115.64 122.15 2c3a s THR 96 Ca -0.02 -0.62 0.00 0.00 0.31 0.00 0.00 61.69 61.37 2c3a s THR 96 Cb -0.13 -1.13 0.02 0.00 0.01 0.00 0.00 72.50 71.27 2c3a s THR 96 CO 0.03 0.38 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.60 2c3a s ILE 97 N 0.25 1.29 0.01 1.82 1.01 -0.55 -0.42 121.20 124.61 2c3a s ILE 97 Ca -0.08 -0.47 0.02 0.00 0.00 0.00 0.00 60.65 60.12 2c3a s ILE 97 Cb -0.13 -1.24 -0.01 0.00 0.01 0.00 0.00 42.46 41.10 2c3a s ILE 97 CO 0.03 0.41 -0.07 0.00 0.00 0.00 0.00 174.94 175.31 2c3a s ALA 98 N 1.42 0.52 -0.03 9.38 0.00 -0.37 -0.59 121.76 132.10 2c3a s ALA 98 Ca 0.01 -0.43 0.07 0.00 0.00 0.00 0.00 51.96 51.61 2c3a s ALA 98 Cb -0.13 -0.07 -0.02 0.00 0.00 0.00 0.00 23.12 22.90 2c3a s ALA 98 CO -0.07 0.07 -0.23 -1.58 0.00 0.00 0.00 175.76 173.95 2c3a s TRP 99 N -0.57 2.43 0.17 0.00 0.52 0.39 -0.46 118.94 121.42 2c3a s TRP 99 Ca -0.02 -0.40 0.08 0.00 0.02 0.00 0.00 56.10 55.78 2c3a s TRP 99 Cb -0.05 -1.54 -0.04 0.00 -1.15 0.00 0.00 33.47 30.69 2c3a s TRP 99 CO 0.00 -0.00 -0.17 -0.06 0.02 0.00 0.00 176.95 176.74 2c3a s PHE 100 N -0.59 1.73 -0.23 -1.98 0.40 -0.60 -0.65 117.98 116.06 2c3a s PHE 100 Ca 0.09 -0.51 -0.09 0.00 -0.60 0.00 0.00 56.93 55.83 2c3a s PHE 100 Cb -0.11 -0.85 -0.04 0.00 0.51 0.00 0.00 43.02 42.53 2c3a s PHE 100 CO -0.00 0.31 0.11 0.50 0.70 0.00 0.00 175.22 176.84 2c3a s ARG 101 N -2.99 3.93 0.24 0.44 3.52 0.17 -1.56 118.95 122.70 2c3a s ARG 101 Ca 0.16 -0.35 -0.30 0.00 -0.13 0.00 0.00 55.73 55.12 2c3a s ARG 101 Cb -0.04 -3.40 -0.09 0.00 -1.56 0.00 0.00 34.95 29.85 2c3a s ARG 101 CO 0.06 0.04 1.26 1.41 -0.81 0.00 0.00 175.30 177.26 2c3a s MET 102 N 1.06 4.43 0.00 5.12 -2.45 -0.28 -0.85 119.30 126.34 2c3a s MET 102 Ca 0.06 2.03 0.00 0.00 -1.25 0.00 0.00 55.69 56.52 2c3a s MET 102 Cb -0.14 -3.17 0.00 0.00 1.25 0.00 0.00 34.83 32.77 2c3a s MET 102 CO 0.04 -0.15 0.00 0.41 1.05 0.00 0.00 175.02 176.37 2c3a n GLY 103 N 1.84 6.91 3.55 2.11 0.00 -0.03 -4.60 105.19 114.97 2c3a n GLY 103 Ca 0.04 -1.94 -0.38 0.00 0.00 0.00 0.00 46.02 43.73 2c3a n GLY 103 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2c3a s GLY 104 N -0.14 0.07 -1.50 -0.02 0.00 -1.26 -3.38 107.32 101.09 2c3a s GLY 104 Ca 0.00 -0.39 -0.11 0.00 0.00 0.00 0.00 44.72 44.22 2c3a s GLY 104 CO 0.00 3.61 0.92 -2.01 0.00 0.00 0.00 173.10 175.62 2c3a n ASN 105 N 13.42 -4.05 -3.55 1.64 5.15 -1.26 -4.94 115.26 121.68 2c3a n ASN 105 Ca 0.25 -0.80 -0.11 0.00 -0.60 0.00 0.00 54.58 53.32 2c3a n ASN 105 Cb 0.52 -3.84 -0.02 0.00 -0.53 0.00 0.00 39.78 35.91 2c3a n ASN 105 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2c3a s ALA 107 N -3.79 -0.02 -0.25 0.00 0.00 -0.08 -0.86 121.76 116.76 2c3a s ALA 107 Ca 0.04 0.04 -0.08 0.00 0.00 0.00 0.00 51.96 51.96 2c3a s ALA 107 Cb -0.02 -0.03 -0.04 0.00 0.00 0.00 0.00 23.12 23.03 2c3a s ALA 107 CO -0.07 -0.01 0.10 0.42 0.00 0.00 0.00 175.76 176.20 2c3a s ILE 108 N 0.05 4.61 0.17 0.00 1.01 -0.03 -1.28 121.20 125.74 2c3a s ILE 108 Ca -0.00 -0.07 -0.30 0.00 0.00 0.00 0.00 60.65 60.27 2c3a s ILE 108 Cb -0.01 -3.16 -0.08 0.00 0.01 0.00 0.00 42.46 39.22 2c3a s ILE 108 CO -0.00 0.33 1.26 -2.84 0.00 0.00 0.00 174.94 173.68 2c3a s PRO 109 N 1.53 4.43 -0.15 2.79 0.02 -1.26 -0.65 135.00 141.70 2c3a s PRO 109 Ca 0.06 1.95 -0.08 0.00 0.02 0.00 0.00 61.00 62.96 2c3a s PRO 109 Cb -0.15 -3.23 -0.06 0.00 0.02 0.00 0.00 34.50 31.07 2c3a s PRO 109 CO 0.05 -0.20 -0.20 -0.89 -0.33 0.00 0.00 177.00 175.44 2c3a n ILE 110 N 2.79 0.85 -3.76 2.83 5.41 0.18 -4.58 119.36 123.08 2c3a n ILE 110 Ca 0.06 -0.20 -0.13 0.00 1.00 0.00 0.00 62.75 63.48 2c3a n ILE 110 Cb 0.44 -1.71 -0.10 0.00 -0.71 0.00 0.00 39.64 37.55 2c3a n ILE 110 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 2c3a s THR 111 N -2.28 0.02 -0.02 1.39 -1.32 -1.12 -0.60 115.64 111.71 2c3a s THR 111 Ca -0.21 -0.16 0.04 0.00 -1.21 0.00 0.00 61.69 60.14 2c3a s THR 111 Cb 0.08 -0.52 -0.01 0.00 -1.51 0.00 0.00 72.50 70.55 2c3a s THR 111 CO 0.27 -0.09 -0.12 -0.69 -2.21 0.00 0.00 174.62 171.77 2c3a s VAL 112 N -0.33 1.00 -0.03 5.08 1.01 -0.94 -0.46 120.40 125.72 2c3a s VAL 112 Ca -0.05 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.43 2c3a s VAL 112 Cb -0.03 -0.84 0.01 0.00 0.00 0.00 0.00 36.38 35.51 2c3a s VAL 112 CO 0.02 0.29 -0.08 -0.04 0.00 0.00 0.00 175.10 175.29 2c3a s MET 113 N -0.16 0.95 0.03 2.72 -1.94 0.25 -1.99 119.30 119.15 2c3a s MET 113 Ca 0.02 -0.26 0.09 0.00 -1.71 0.00 0.00 55.69 53.84 2c3a s MET 113 Cb -0.06 -0.89 -0.03 0.00 2.01 0.00 0.00 34.83 35.86 2c3a s MET 113 CO -0.00 0.06 -0.26 -1.21 -0.01 0.00 0.00 175.02 173.60 2c3a s GLU 114 N 0.39 1.88 0.03 2.03 2.02 -1.26 -1.49 118.70 122.30 2c3a s GLU 114 Ca -0.06 -1.07 0.02 0.00 0.02 0.00 0.00 54.97 53.88 2c3a s GLU 114 Cb -0.10 -2.00 -0.02 0.00 0.10 0.00 0.00 34.13 32.11 2c3a s GLU 114 CO 0.01 0.52 -0.06 0.71 0.02 0.00 0.00 175.26 176.46 2c3a s TYR 115 N -0.77 0.54 0.22 1.61 1.51 0.67 -1.87 117.35 119.27 2c3a s TYR 115 Ca 0.11 -0.37 -0.08 0.00 -1.01 0.00 0.00 57.07 55.72 2c3a s TYR 115 Cb -0.10 -0.33 -0.02 0.00 -0.11 0.00 0.00 41.96 41.40 2c3a s TYR 115 CO 0.01 -0.07 0.33 -0.08 -1.11 0.00 0.00 175.55 174.64 2c3a s THR 116 N -0.99 0.01 -1.35 -0.71 -1.32 -0.42 -1.94 115.64 108.92 2c3a s THR 116 Ca -0.07 -1.62 -0.01 0.00 -1.21 0.00 0.00 61.69 58.78 2c3a s THR 116 Cb -0.07 -2.28 0.01 0.00 -1.51 0.00 0.00 72.50 68.64 2c3a s THR 116 CO 0.00 -0.03 0.63 -0.62 -2.21 0.00 0.00 174.62 172.39 2c3a n GLU 117 N -0.33 -4.45 -3.42 7.08 -0.58 -1.24 -3.23 120.64 114.47 2c3a n GLU 117 Ca -0.01 0.55 -0.37 0.00 -0.42 0.00 0.00 57.16 56.91 2c3a n GLU 117 Cb 0.63 -5.00 -0.06 0.00 -0.57 0.00 0.00 31.44 26.44 2c3a n GLU 117 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2c3a s SER 119 N -1.25 6.40 0.53 0.00 0.15 -1.26 -1.24 113.70 117.03 2c3a s SER 119 Ca 0.28 0.46 0.35 0.00 0.70 0.00 0.00 55.95 57.75 2c3a s SER 119 Cb -0.17 -2.15 1.75 0.00 -1.71 0.00 0.00 66.02 63.74 2c3a s SER 119 CO 0.16 0.17 2.07 1.88 1.20 0.00 0.00 173.24 178.72 2c3a h TYR 120 N 6.37 0.00 -0.98 3.44 -1.99 -1.91 -2.72 116.97 119.19 2c3a h TYR 120 Ca -0.43 0.00 -0.60 0.00 2.00 0.00 0.00 58.73 59.70 2c3a h TYR 120 Cb 1.17 0.00 -0.25 0.00 2.00 0.00 0.00 36.73 39.65 2c3a h TYR 120 CO 0.62 0.00 0.77 0.09 -0.00 0.00 0.00 178.16 179.64 2c3a n ASN 121 N -2.86 7.35 -3.78 3.88 3.02 -1.26 -4.55 115.26 117.06 2c3a n ASN 121 Ca -0.01 -3.60 -0.10 0.00 -0.03 0.00 0.00 54.58 50.85 2c3a n ASN 121 Cb 0.16 -1.02 -0.04 0.00 -0.61 0.00 0.00 39.78 38.26 2c3a n ASN 121 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2c3a s LYS 122 N -3.29 1.33 1.00 3.52 1.02 -1.03 -5.17 119.74 117.13 2c3a s LYS 122 Ca 0.55 -0.92 -0.11 0.00 0.02 0.00 0.00 55.97 55.51 2c3a s LYS 122 Cb 0.43 0.49 0.17 0.00 -0.52 0.00 0.00 37.83 38.41 2c3a s LYS 122 CO -0.06 -0.55 0.99 0.45 -0.92 0.00 0.00 175.35 175.26 2c3a n SER 123 N -0.31 -0.60 -4.70 2.83 2.88 -1.26 -4.91 113.62 107.55 2c3a n SER 123 Ca -0.10 0.23 -0.42 0.00 -1.33 0.00 0.00 58.87 57.25 2c3a n SER 123 Cb 0.63 -1.37 -0.03 0.00 -0.75 0.00 0.00 64.21 62.69 2c3a n SER 123 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 2c3a s LEU 124 N -5.98 4.33 -0.74 2.46 2.96 -1.26 -2.42 118.68 118.02 2c3a s LEU 124 Ca 0.66 2.00 0.00 0.00 -0.22 0.00 0.00 54.13 56.56 2c3a s LEU 124 Cb -0.23 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 42.89 2c3a s LEU 124 CO 0.61 -0.58 0.00 0.61 -1.32 0.00 0.00 176.35 175.67 2c3a n GLY 125 N 3.40 0.88 3.12 7.98 0.00 -1.26 -4.92 105.19 114.38 2c3a n GLY 125 Ca 0.11 -0.38 -0.44 0.00 0.00 0.00 0.00 46.02 45.32 2c3a n GLY 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c3a n ALA 126 N 1.13 4.83 -2.46 4.61 0.00 -1.02 -4.99 120.51 122.61 2c3a n ALA 126 Ca -0.07 -4.64 -0.26 0.00 0.00 0.00 0.00 53.44 48.48 2c3a n ALA 126 Cb 0.31 -2.55 -0.11 0.00 0.00 0.00 0.00 19.45 17.10 2c3a n ALA 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2c3a h PRO 128 N 2.76 0.00 -5.14 0.00 0.13 -1.72 -3.44 132.00 124.59 2c3a h PRO 128 Ca -0.44 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.13 2c3a h PRO 128 Cb 1.23 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 32.04 2c3a h PRO 128 CO 0.54 0.34 -0.83 0.42 -0.23 0.00 0.00 178.00 178.23 2c3a s ILE 129 N -4.10 1.40 -0.09 -3.56 1.01 -1.20 -1.01 121.20 113.66 2c3a s ILE 129 Ca -0.02 -0.68 -0.22 0.00 0.00 0.00 0.00 60.65 59.73 2c3a s ILE 129 Cb 0.14 -1.22 0.05 0.00 0.01 0.00 0.00 42.46 41.44 2c3a s ILE 129 CO 0.70 0.41 0.51 -0.13 0.00 0.00 0.00 174.94 176.43 2c3a s ARG 130 N 0.18 0.79 0.41 2.79 0.52 -0.66 -1.29 118.95 121.68 2c3a s ARG 130 Ca -0.07 0.28 -0.23 0.00 -0.52 0.00 0.00 55.73 55.19 2c3a s ARG 130 Cb -0.13 0.37 -0.09 0.00 0.52 0.00 0.00 34.95 35.62 2c3a s ARG 130 CO 0.03 -0.20 1.01 0.95 0.02 0.00 0.00 175.30 177.12 2c3a s THR 131 N -0.73 3.93 0.12 0.02 -4.23 -0.78 -0.84 115.64 113.12 2c3a s THR 131 Ca -0.08 1.40 -0.32 0.00 -1.18 0.00 0.00 61.69 61.51 2c3a s THR 131 Cb -0.03 -3.68 -0.12 0.00 1.34 0.00 0.00 72.50 70.01 2c3a s THR 131 CO 0.05 -0.07 1.79 1.67 -0.54 0.00 0.00 174.62 177.52 2c3a n GLN 132 N -0.22 2.62 -1.57 3.99 -0.06 -0.90 -4.68 117.38 116.56 2c3a n GLN 132 Ca 0.06 0.95 -0.49 0.00 -2.00 0.00 0.00 57.00 55.52 2c3a n GLN 132 Cb 0.51 -2.82 -0.04 0.00 -4.06 0.00 0.00 30.24 23.83 2c3a n GLN 132 CO 0.00 0.00 0.00 -2.30 -0.20 0.00 0.00 177.06 174.56 2c3a n PRO 133 N 5.18 1.12 -4.03 3.69 -0.02 -1.26 -4.72 135.00 134.96 2c3a n PRO 133 Ca 0.18 0.40 -0.33 0.00 -2.02 0.00 0.00 63.50 61.73 2c3a n PRO 133 Cb 0.35 -1.88 -0.06 0.00 -0.02 0.00 0.00 33.50 31.89 2c3a n PRO 133 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2c3a s ARG 134 N -0.45 3.17 0.02 -0.52 1.81 -0.84 -1.17 118.95 120.98 2c3a s ARG 134 Ca 0.73 -0.45 -0.10 0.00 -1.72 0.00 0.00 55.73 54.18 2c3a s ARG 134 Cb -0.86 -2.92 0.01 0.00 -0.45 0.00 0.00 34.95 30.73 2c3a s ARG 134 CO 0.53 0.65 0.22 -1.58 -0.68 0.00 0.00 175.30 174.43 2c3a s TRP 135 N -1.26 -0.01 -0.16 -0.53 0.52 -0.85 -2.21 118.94 114.44 2c3a s TRP 135 Ca 0.25 -0.11 -0.08 0.00 0.02 0.00 0.00 56.10 56.18 2c3a s TRP 135 Cb -0.12 0.00 0.06 0.00 -1.15 0.00 0.00 33.47 32.26 2c3a s TRP 135 CO 0.17 -0.40 0.37 1.21 0.02 0.00 0.00 176.95 178.32 2c3a s ASN 136 N -1.78 -0.41 0.00 2.95 3.84 0.23 -2.07 114.94 117.70 2c3a s ASN 136 Ca -0.09 0.81 0.00 0.00 0.21 0.00 0.00 52.86 53.79 2c3a s ASN 136 Cb -0.03 0.73 0.00 0.00 -0.55 0.00 0.00 41.25 41.40 2c3a s ASN 136 CO -0.01 -0.19 0.00 -1.22 -2.79 0.00 0.00 177.10 172.89 2c3a n TYR 137 N 4.38 0.00 0.93 0.43 4.02 -1.26 -4.61 117.16 121.04 2c3a n TYR 137 Ca -0.22 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 57.78 2c3a n TYR 137 Cb 0.54 0.00 0.05 0.00 -0.02 0.00 0.00 39.34 39.91 2c3a n TYR 137 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 2c3a n TYR 138 N 0.00 0.00 0.23 -0.72 4.02 -1.26 -4.66 117.16 114.78 2c3a n TYR 138 Ca 0.00 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 58.02 2c3a n TYR 138 Cb 0.00 0.00 0.36 0.00 -0.02 0.00 0.00 39.34 39.68 2c3a n TYR 138 CO 0.00 0.00 0.00 0.38 -1.01 0.00 0.00 176.86 176.23 2c3a h ASP 139 N 3.53 0.00 0.65 7.72 2.03 -1.83 -1.38 116.42 127.14 2c3a h ASP 139 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2c3a h ASP 139 Cb 0.84 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.34 2c3a h ASP 139 CO 0.00 0.06 0.00 -1.54 -1.03 0.00 0.00 179.24 176.73 2c3a n SER 140 N -3.13 0.00 -0.30 4.15 3.41 -1.26 -4.07 113.62 112.42 2c3a n SER 140 Ca 0.02 0.36 0.00 0.00 -0.26 0.00 0.00 58.87 58.99 2c3a n SER 140 Cb 0.46 -0.44 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 2c3a n SER 140 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 2c3a n PHE 141 N -1.44 0.00 -4.03 7.33 1.16 -0.97 -4.68 117.46 114.83 2c3a n PHE 141 Ca 0.07 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.55 2c3a n PHE 141 Cb 0.23 0.05 -0.11 0.00 -1.61 0.00 0.00 39.48 38.04 2c3a n PHE 141 CO 0.00 0.00 0.00 -1.12 -1.87 0.00 0.00 176.76 173.77 2c3a s SER 142 N -0.41 0.49 0.29 5.98 0.01 -0.56 -1.62 113.70 117.88 2c3a s SER 142 Ca 0.00 -0.62 -0.00 0.00 1.31 0.00 0.00 55.95 56.63 2c3a s SER 142 Cb 0.00 0.10 -0.02 0.00 0.21 0.00 0.00 66.02 66.31 2c3a s SER 142 CO 0.00 -0.33 0.32 0.00 0.41 0.00 0.00 173.24 173.63 2c3a s ALA 143 N -1.96 1.08 0.12 1.44 0.00 -1.01 -4.58 121.76 116.85 2c3a s ALA 143 Ca -0.09 -1.66 0.03 0.00 0.00 0.00 0.00 51.96 50.24 2c3a s ALA 143 Cb -0.06 1.31 -0.04 0.00 0.00 0.00 0.00 23.12 24.33 2c3a s ALA 143 CO -0.02 -0.70 0.20 0.14 0.00 0.00 0.00 175.76 175.37 2c3a s VAL 144 N -3.62 5.01 0.88 0.00 -7.23 -1.26 -1.35 120.40 112.82 2c3a s VAL 144 Ca 0.35 -0.73 -0.12 0.00 -1.81 0.00 0.00 61.98 59.67 2c3a s VAL 144 Cb 0.03 -3.52 0.12 0.00 0.56 0.00 0.00 36.38 33.57 2c3a s VAL 144 CO 0.19 -0.01 1.10 -0.94 -0.31 0.00 0.00 175.10 175.12 2c3a s SER 145 N -2.91 3.69 0.00 4.85 1.04 -0.38 -4.84 113.70 115.15 2c3a s SER 145 Ca 0.33 1.37 0.00 0.00 0.48 0.00 0.00 55.95 58.13 2c3a s SER 145 Cb -0.11 -2.06 0.00 0.00 0.10 0.00 0.00 66.02 63.95 2c3a s SER 145 CO 0.26 -2.49 0.00 -1.84 0.98 0.00 0.00 173.24 170.15 2c3a n GLU 146 N -3.77 0.00 0.00 4.02 0.28 -1.26 -0.97 120.64 118.93 2c3a n GLU 146 Ca 0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.07 2c3a n GLU 146 Cb 0.56 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.43 2c3a n GLU 146 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2c3a n ASP 147 N 0.00 0.00 0.00 -1.84 9.92 -1.26 -4.91 116.55 118.46 2c3a n ASP 147 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 2c3a n ASP 147 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 2c3a n ASP 147 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 2c3a n ASN 148 N 0.00 -2.80 -0.23 -2.24 5.03 -0.15 -4.86 115.26 110.01 2c3a n ASN 148 Ca 0.00 0.00 0.03 0.00 0.87 0.00 0.00 54.58 55.48 2c3a n ASN 148 Cb 0.00 -0.85 0.02 0.00 -1.02 0.00 0.00 39.78 37.94 2c3a n ASN 148 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 2c3a n LEU 149 N 0.00 1.49 -4.38 3.41 4.32 -1.26 -4.87 117.00 115.71 2c3a n LEU 149 Ca 0.00 -1.01 -0.20 0.00 -0.02 0.00 0.00 56.01 54.78 2c3a n LEU 149 Cb 0.06 -0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 41.76 2c3a n LEU 149 CO 0.00 0.31 -0.38 -0.83 -1.22 0.00 0.00 177.39 175.27 2c3a s GLY 150 N -0.49 1.64 -0.05 -0.72 0.00 -1.26 -4.62 107.32 101.83 2c3a s GLY 150 Ca 0.07 -1.80 0.02 0.00 0.00 0.00 0.00 44.72 43.01 2c3a s GLY 150 CO 0.07 -1.78 -0.10 -0.12 0.00 0.00 0.00 173.10 171.17 2c3a s PHE 151 N -3.07 1.19 -0.14 1.90 5.36 -0.39 -1.25 117.98 121.58 2c3a s PHE 151 Ca 0.27 -0.38 0.01 0.00 -0.96 0.00 0.00 56.93 55.87 2c3a s PHE 151 Cb 0.03 -0.88 0.02 0.00 -0.34 0.00 0.00 43.02 41.84 2c3a s PHE 151 CO 0.09 -0.20 -0.16 -1.17 -1.46 0.00 0.00 175.22 172.33 2c3a s LEU 152 N 0.53 1.78 0.01 6.12 2.96 -0.46 0.81 118.68 130.42 2c3a s LEU 152 Ca -0.10 -0.50 0.05 0.00 -0.22 0.00 0.00 54.13 53.36 2c3a s LEU 152 Cb -0.13 -1.21 -0.03 0.00 0.50 0.00 0.00 46.19 45.31 2c3a s LEU 152 CO 0.02 -0.02 -0.14 -0.04 -1.32 0.00 0.00 176.35 174.85 2c3a s MET 153 N 1.30 2.30 -0.15 1.98 -1.94 0.25 -2.40 119.30 120.64 2c3a s MET 153 Ca 0.02 -0.85 0.01 0.00 -1.71 0.00 0.00 55.69 53.16 2c3a s MET 153 Cb -0.13 -2.32 0.02 0.00 2.01 0.00 0.00 34.83 34.40 2c3a s MET 153 CO -0.08 0.57 -0.18 -1.01 -0.01 0.00 0.00 175.02 174.31 2c3a s HIS 154 N -0.92 2.45 -1.21 -0.03 3.76 -0.64 -0.28 115.29 118.43 2c3a s HIS 154 Ca 0.15 -1.35 -0.14 0.00 -0.15 0.00 0.00 55.06 53.57 2c3a s HIS 154 Cb -0.11 -1.73 0.02 0.00 1.11 0.00 0.00 32.58 31.88 2c3a s HIS 154 CO 0.05 -0.68 0.26 0.00 -0.85 0.00 0.00 174.74 173.52 2c3a n ALA 155 N 4.51 -2.10 -1.79 -1.40 0.00 -1.01 -4.78 120.51 113.93 2c3a n ALA 155 Ca -0.19 -0.43 -0.41 0.00 0.00 0.00 0.00 53.44 52.41 2c3a n ALA 155 Cb 0.50 -1.36 -0.02 0.00 0.00 0.00 0.00 19.45 18.58 2c3a n ALA 155 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2c3a s PRO 156 N -6.95 4.34 0.83 0.00 0.04 -1.26 -4.40 135.00 127.59 2c3a s PRO 156 Ca 0.19 2.24 -0.14 0.00 0.04 0.00 0.00 61.00 63.33 2c3a s PRO 156 Cb -0.11 -3.07 0.05 0.00 0.04 0.00 0.00 34.50 31.41 2c3a s PRO 156 CO 0.85 -0.23 0.85 0.00 0.04 0.00 0.00 177.00 178.51 2c3a n ALA 157 N 0.97 -1.04 -0.35 8.56 0.00 -1.26 -4.67 120.51 122.72 2c3a n ALA 157 Ca 0.01 -0.39 0.12 0.00 0.00 0.00 0.00 53.44 53.18 2c3a n ALA 157 Cb 0.42 -2.04 0.30 0.00 0.00 0.00 0.00 19.45 18.12 2c3a n ALA 157 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2c3a h PHE 158 N -0.99 1.08 0.00 0.00 3.57 -1.93 -1.70 116.94 116.97 2c3a h PHE 158 Ca -0.45 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.08 2c3a h PHE 158 Cb 1.31 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 39.72 2c3a h PHE 158 CO 0.42 0.27 0.00 0.39 -2.23 0.00 0.00 178.31 177.16 2c3a n GLU 159 N -4.75 0.69 0.00 1.11 4.71 -1.26 -1.58 120.64 119.56 2c3a n GLU 159 Ca 0.22 0.00 0.14 0.00 -0.01 0.00 0.00 57.16 57.52 2c3a n GLU 159 Cb 0.53 -1.45 0.65 0.00 -1.01 0.00 0.00 31.44 30.16 2c3a n GLU 159 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 2c3a n THR 160 N -0.95 0.00 -1.71 2.62 -2.24 -0.64 -4.89 114.28 106.48 2c3a n THR 160 Ca 0.15 -0.01 -0.43 0.00 -2.27 0.00 0.00 64.05 61.49 2c3a n THR 160 Cb 0.07 -0.41 -0.03 0.00 -2.10 0.00 0.00 70.33 67.85 2c3a n THR 160 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2c3a n ALA 161 N -1.37 2.49 0.00 6.98 0.00 -0.62 -4.83 120.51 123.16 2c3a n ALA 161 Ca 0.10 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.95 2c3a n ALA 161 Cb 0.30 -2.48 0.00 0.00 0.00 0.00 0.00 19.45 17.27 2c3a n ALA 161 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2c3a n GLY 162 N 3.77 -0.25 3.53 0.00 0.00 -0.85 -5.03 105.19 106.36 2c3a n GLY 162 Ca 0.16 -1.08 -0.34 0.00 0.00 0.00 0.00 46.02 44.76 2c3a n GLY 162 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2c3a s THR 163 N -3.54 3.96 0.16 2.61 2.01 -1.26 -0.53 115.64 119.04 2c3a s THR 163 Ca 0.00 -0.34 0.11 0.00 0.31 0.00 0.00 61.69 61.77 2c3a s THR 163 Cb 0.00 -2.72 -0.04 0.00 0.01 0.00 0.00 72.50 69.75 2c3a s THR 163 CO 0.00 0.51 -0.25 -0.31 -0.69 0.00 0.00 174.62 173.88 2c3a s TYR 164 N 0.13 2.27 -0.12 4.92 1.51 0.26 -1.12 117.35 125.20 2c3a s TYR 164 Ca -0.01 -0.37 0.02 0.00 -1.01 0.00 0.00 57.07 55.69 2c3a s TYR 164 Cb -0.14 -1.18 0.02 0.00 -0.11 0.00 0.00 41.96 40.55 2c3a s TYR 164 CO 0.03 0.41 -0.16 -0.51 -1.11 0.00 0.00 175.55 174.21 2c3a s LEU 165 N -2.35 1.76 -0.24 -1.29 1.02 -0.60 -0.31 118.68 116.67 2c3a s LEU 165 Ca 0.17 -0.46 -0.19 0.00 0.02 0.00 0.00 54.13 53.67 2c3a s LEU 165 Cb -0.09 -1.15 -0.03 0.00 0.02 0.00 0.00 46.19 44.94 2c3a s LEU 165 CO 0.08 0.01 0.54 -0.60 0.02 0.00 0.00 176.35 176.40 2c3a s ARG 166 N 1.06 4.12 -0.26 1.70 3.52 0.06 -1.55 118.95 127.59 2c3a s ARG 166 Ca -0.04 0.40 -0.05 0.00 -0.13 0.00 0.00 55.73 55.90 2c3a s ARG 166 Cb -0.15 -3.62 0.01 0.00 -1.56 0.00 0.00 34.95 29.63 2c3a s ARG 166 CO -0.03 -0.30 0.02 -1.17 -0.81 0.00 0.00 175.30 173.01 2c3a s LEU 167 N 2.13 3.43 -0.14 -0.88 0.20 0.39 -1.03 118.68 122.78 2c3a s LEU 167 Ca 0.23 -0.63 -0.00 0.00 0.69 0.00 0.00 54.13 54.41 2c3a s LEU 167 Cb -0.16 -1.80 -0.01 0.00 -0.43 0.00 0.00 46.19 43.79 2c3a s LEU 167 CO 0.09 -0.12 -0.12 -0.69 -0.29 0.00 0.00 176.35 175.22 2c3a s VAL 168 N 1.46 3.09 -0.12 1.68 1.01 0.07 -1.24 120.40 126.35 2c3a s VAL 168 Ca 0.03 -0.64 -0.02 0.00 0.00 0.00 0.00 61.98 61.34 2c3a s VAL 168 Cb -0.16 -2.30 0.04 0.00 0.00 0.00 0.00 36.38 33.95 2c3a s VAL 168 CO -0.01 0.52 0.02 -0.75 0.00 0.00 0.00 175.10 174.88 2c3a s LYS 169 N 0.43 0.56 -0.32 2.72 2.20 0.44 0.37 119.74 126.14 2c3a s LYS 169 Ca -0.09 -0.07 -0.05 0.00 -0.36 0.00 0.00 55.97 55.40 2c3a s LYS 169 Cb -0.16 -1.39 0.04 0.00 -1.51 0.00 0.00 37.83 34.81 2c3a s LYS 169 CO 0.05 -0.44 0.06 0.42 -0.36 0.00 0.00 175.35 175.08 2c3a s ILE 170 N 1.96 3.51 0.00 5.43 1.01 -0.62 0.09 121.20 132.57 2c3a s ILE 170 Ca 0.03 -1.16 0.00 0.00 0.00 0.00 0.00 60.65 59.52 2c3a s ILE 170 Cb -0.14 -2.96 0.00 0.00 0.01 0.00 0.00 42.46 39.37 2c3a s ILE 170 CO -0.06 -0.11 0.00 0.59 0.00 0.00 0.00 174.94 175.36 2c3a n ASN 171 N 4.75 0.00 -0.21 3.58 3.02 -0.63 -0.89 115.26 124.88 2c3a n ASN 171 Ca -0.13 0.00 0.02 0.00 -0.03 0.00 0.00 54.58 54.44 2c3a n ASN 171 Cb 0.45 0.00 0.04 0.00 -0.61 0.00 0.00 39.78 39.66 2c3a n ASN 171 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2c3a n ASP 172 N 8.40 2.08 -4.81 6.41 9.92 -1.26 -4.96 116.55 132.33 2c3a n ASP 172 Ca 0.00 -1.79 -0.38 0.00 -0.53 0.00 0.00 54.79 52.09 2c3a n ASP 172 Cb 0.00 -0.06 -0.06 0.00 -0.64 0.00 0.00 41.12 40.36 2c3a n ASP 172 CO 0.00 0.00 0.00 0.86 0.13 0.00 0.00 177.20 178.19 2c3a s TRP 173 N -0.84 3.76 -0.04 1.24 -0.00 -0.07 -4.96 118.94 118.04 2c3a s TRP 173 Ca 0.07 1.29 -0.02 0.00 -0.00 0.00 0.00 56.10 57.45 2c3a s TRP 173 Cb 0.04 -2.52 0.03 0.00 -0.00 0.00 0.00 33.47 31.02 2c3a s TRP 173 CO 0.05 0.51 0.08 0.99 -0.00 0.00 0.00 176.95 178.59 2c3a s THR 174 N -1.24 -0.04 -0.11 5.86 2.01 -1.26 -1.59 115.64 119.26 2c3a s THR 174 Ca 0.33 0.15 0.00 0.00 0.31 0.00 0.00 61.69 62.49 2c3a s THR 174 Cb -0.19 -0.14 0.02 0.00 0.01 0.00 0.00 72.50 72.20 2c3a s THR 174 CO 0.20 0.06 -0.10 -0.70 -0.69 0.00 0.00 174.62 173.40 2c3a s GLU 175 N 0.86 1.71 -0.07 4.92 2.12 0.16 -1.23 118.70 127.16 2c3a s GLU 175 Ca -0.07 -0.34 0.01 0.00 0.36 0.00 0.00 54.97 54.93 2c3a s GLU 175 Cb -0.09 -1.66 -0.03 0.00 0.26 0.00 0.00 34.13 32.61 2c3a s GLU 175 CO -0.03 -0.21 -0.08 0.42 -0.54 0.00 0.00 175.26 174.81 2c3a s ILE 176 N 1.50 3.62 -0.03 -3.70 1.01 -1.26 -0.75 121.20 121.60 2c3a s ILE 176 Ca 0.02 -0.51 0.02 0.00 0.00 0.00 0.00 60.65 60.19 2c3a s ILE 176 Cb -0.13 -2.48 0.00 0.00 0.01 0.00 0.00 42.46 39.86 2c3a s ILE 176 CO -0.07 0.59 -0.08 -0.89 0.00 0.00 0.00 174.94 174.49 2c3a s THR 177 N -0.71 0.71 -0.06 2.92 2.01 -0.20 -4.19 115.64 116.13 2c3a s THR 177 Ca 0.11 -0.32 -0.03 0.00 0.31 0.00 0.00 61.69 61.76 2c3a s THR 177 Cb -0.11 -0.64 -0.04 0.00 0.01 0.00 0.00 72.50 71.72 2c3a s THR 177 CO 0.01 0.23 0.08 -1.58 -0.69 0.00 0.00 174.62 172.67 2c3a s GLN 178 N 0.23 3.16 -0.09 4.92 0.74 -0.46 -0.76 119.66 127.40 2c3a s GLN 178 Ca -0.03 -0.36 0.00 0.00 0.05 0.00 0.00 55.36 55.02 2c3a s GLN 178 Cb -0.08 -2.94 0.02 0.00 1.10 0.00 0.00 33.01 31.11 2c3a s GLN 178 CO 0.00 0.70 -0.08 -0.06 -0.55 0.00 0.00 175.29 175.30 2c3a s PHE 179 N -1.07 1.36 -0.40 1.67 0.40 0.58 -1.36 117.98 119.16 2c3a s PHE 179 Ca 0.18 -0.60 -0.14 0.00 -0.60 0.00 0.00 56.93 55.77 2c3a s PHE 179 Cb -0.12 -1.11 0.02 0.00 0.51 0.00 0.00 43.02 42.32 2c3a s PHE 179 CO 0.08 -0.41 0.28 0.42 0.70 0.00 0.00 175.22 176.29 2c3a s ILE 180 N 1.38 5.12 -0.43 0.64 1.01 0.79 -0.57 121.20 129.14 2c3a s ILE 180 Ca -0.02 -0.71 -0.16 0.00 0.00 0.00 0.00 60.65 59.77 2c3a s ILE 180 Cb -0.14 -3.85 0.03 0.00 0.01 0.00 0.00 42.46 38.51 2c3a s ILE 180 CO -0.04 -0.30 0.36 -0.22 0.00 0.00 0.00 174.94 174.74 2c3a s LEU 181 N 1.65 5.18 -0.14 2.97 2.96 0.31 -0.65 118.68 130.95 2c3a s LEU 181 Ca 0.04 -0.96 -0.03 0.00 -0.22 0.00 0.00 54.13 52.96 2c3a s LEU 181 Cb -0.19 -2.22 -0.03 0.00 0.50 0.00 0.00 46.19 44.25 2c3a s LEU 181 CO 0.09 -0.53 -0.02 -1.61 -1.32 0.00 0.00 176.35 172.96 2c3a s GLU 182 N 1.79 3.54 -0.24 1.98 2.02 -0.83 -2.00 118.70 124.94 2c3a s GLU 182 Ca 0.06 -0.48 -0.16 0.00 0.02 0.00 0.00 54.97 54.41 2c3a s GLU 182 Cb -0.20 -2.91 -0.03 0.00 0.10 0.00 0.00 34.13 31.09 2c3a s GLU 182 CO 0.10 0.35 0.43 -1.01 0.02 0.00 0.00 175.26 175.15 2c3a s HIS 183 N 0.08 3.29 -2.32 1.61 3.76 -1.26 -1.94 115.29 118.51 2c3a s HIS 183 Ca 0.01 0.55 0.22 0.00 -0.15 0.00 0.00 55.06 55.69 2c3a s HIS 183 Cb -0.13 -2.61 0.76 0.00 1.11 0.00 0.00 32.58 31.71 2c3a s HIS 183 CO 0.02 -0.18 1.56 2.89 -0.85 0.00 0.00 174.74 178.18 2c3a n ARG 184 N 5.13 1.77 -4.11 1.40 0.00 -0.83 -4.87 116.66 115.15 2c3a n ARG 184 Ca -0.07 -1.16 -0.29 0.00 -0.00 0.00 0.00 57.85 56.33 2c3a n ARG 184 Cb 0.50 -1.41 -0.07 0.00 -0.00 0.00 0.00 32.46 31.48 2c3a n ARG 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2c3a s ALA 185 N -1.80 3.37 -1.42 2.89 0.00 -1.25 -4.98 121.76 118.57 2c3a s ALA 185 Ca 0.33 -1.14 0.16 0.00 0.00 0.00 0.00 51.96 51.32 2c3a s ALA 185 Cb 0.18 -1.24 0.81 0.00 0.00 0.00 0.00 23.12 22.87 2c3a s ALA 185 CO 0.27 0.66 1.46 1.63 0.00 0.00 0.00 175.76 179.79 2c3a n LYS 186 N 0.35 0.22 -0.86 0.00 5.02 -1.26 -4.84 118.16 116.79 2c3a n LYS 186 Ca -0.10 0.14 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 2c3a n LYS 186 Cb 0.53 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.04 2c3a n LYS 186 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2c3a n GLY 187 N 0.08 2.04 3.84 0.72 0.00 -1.26 -5.11 105.19 105.49 2c3a n GLY 187 Ca 0.08 -0.94 -0.32 0.00 0.00 0.00 0.00 46.02 44.83 2c3a n GLY 187 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2c3a s SER 188 N -0.37 6.80 0.28 1.61 0.01 -1.26 -4.61 113.70 116.15 2c3a s SER 188 Ca 0.00 1.46 -0.27 0.00 1.31 0.00 0.00 55.95 58.45 2c3a s SER 188 Cb 0.00 -2.45 -0.15 0.00 0.21 0.00 0.00 66.02 63.63 2c3a s SER 188 CO 0.00 -0.33 0.74 0.00 0.41 0.00 0.00 173.24 174.06 2c3a h LYS 190 N 1.41 0.34 -0.18 0.00 1.57 -1.96 -2.45 116.57 115.30 2c3a h LYS 190 Ca -0.35 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 2c3a h LYS 190 Cb 1.39 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.62 2c3a h LYS 190 CO 0.58 0.22 0.00 0.66 -0.57 0.00 0.00 179.45 180.34 2c3a n TYR 191 N -5.08 0.23 -2.52 -1.35 0.53 -1.26 -4.95 117.16 102.76 2c3a n TYR 191 Ca 0.26 -0.11 -0.35 0.00 -1.02 0.00 0.00 57.90 56.67 2c3a n TYR 191 Cb 0.78 0.00 -0.04 0.00 -1.03 0.00 0.00 39.34 39.06 2c3a n TYR 191 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 2c3a s ALA 192 N -1.77 2.97 0.48 -0.72 0.00 -0.93 -4.87 121.76 116.92 2c3a s ALA 192 Ca 0.32 0.67 -0.17 0.00 0.00 0.00 0.00 51.96 52.78 2c3a s ALA 192 Cb 0.17 -3.27 -0.09 0.00 0.00 0.00 0.00 23.12 19.94 2c3a s ALA 192 CO 0.26 -0.29 0.95 -0.51 0.00 0.00 0.00 175.76 176.17 2c3a s LEU 193 N -3.10 3.73 0.73 0.00 2.01 -1.26 -4.75 118.68 116.04 2c3a s LEU 193 Ca 0.63 1.56 -0.15 0.00 0.01 0.00 0.00 54.13 56.18 2c3a s LEU 193 Cb -0.20 -4.47 0.04 0.00 0.01 0.00 0.00 46.19 41.58 2c3a s LEU 193 CO 0.24 -0.50 1.19 -2.16 1.01 0.00 0.00 176.35 176.12 2c3a s PRO 194 N -3.80 2.21 -0.26 1.29 0.04 -1.26 -4.52 135.00 128.69 2c3a s PRO 194 Ca 0.59 1.68 -0.03 0.00 0.04 0.00 0.00 61.00 63.28 2c3a s PRO 194 Cb -0.10 -1.85 0.08 0.00 0.04 0.00 0.00 34.50 32.68 2c3a s PRO 194 CO 0.26 -1.77 0.09 -1.17 0.04 0.00 0.00 177.00 174.45 2c3a s LEU 195 N -5.17 1.25 -0.60 -3.56 0.20 -1.26 -5.00 118.68 104.54 2c3a s LEU 195 Ca 0.73 -1.19 0.06 0.00 0.69 0.00 0.00 54.13 54.41 2c3a s LEU 195 Cb -0.27 -0.58 0.25 0.00 -0.43 0.00 0.00 46.19 45.16 2c3a s LEU 195 CO 0.45 -0.38 0.72 0.54 -0.29 0.00 0.00 176.35 177.39 2c3a n ARG 196 N 5.06 2.28 -3.31 1.98 1.74 -1.26 -5.05 116.66 118.10 2c3a n ARG 196 Ca -0.06 -4.46 -0.39 0.00 -0.77 0.00 0.00 57.85 52.17 2c3a n ARG 196 Cb 0.44 -2.10 -0.07 0.00 -1.02 0.00 0.00 32.46 29.71 2c3a n ARG 196 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2c3a s ILE 197 N -2.35 5.14 0.69 0.55 1.01 -1.26 -5.05 121.20 119.93 2c3a s ILE 197 Ca 0.39 0.80 -0.08 0.00 0.00 0.00 0.00 60.65 61.77 2c3a s ILE 197 Cb 0.16 -3.78 0.05 0.00 0.01 0.00 0.00 42.46 38.89 2c3a s ILE 197 CO -0.03 0.18 1.01 -2.16 0.00 0.00 0.00 174.94 173.95 2c3a s PRO 198 N 1.72 2.42 0.26 2.79 0.04 -1.26 -5.02 135.00 135.96 2c3a s PRO 198 Ca 0.20 -0.08 0.14 0.00 0.04 0.00 0.00 61.00 61.31 2c3a s PRO 198 Cb -0.15 -2.15 0.04 0.00 0.04 0.00 0.00 34.50 32.27 2c3a s PRO 198 CO 0.09 -1.12 1.43 -1.00 0.04 0.00 0.00 177.00 176.43 2c3a h PRO 199 N -0.55 0.00 0.00 0.56 0.13 -1.98 -2.63 132.00 127.53 2c3a h PRO 199 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2c3a h PRO 199 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 2c3a h PRO 199 CO 0.61 0.55 0.07 0.66 -0.23 0.00 0.00 178.00 179.66 2c3a h SER 200 N 0.00 0.00 1.75 1.44 4.64 -2.05 -2.50 113.55 116.84 2c3a h SER 200 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2c3a h SER 200 Cb 1.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.51 2c3a h SER 200 CO 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.03 2c3a h ALA 201 N 1.86 1.00 -1.77 5.18 0.00 -1.86 -3.41 119.26 120.26 2c3a h ALA 201 Ca 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 54.91 54.31 2c3a h ALA 201 Cb 0.14 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 17.81 2c3a h ALA 201 CO 0.00 0.00 0.64 0.00 0.00 0.00 0.00 179.25 179.89 2c3a s LEU 203 N 4.12 4.37 0.51 0.00 1.43 -0.40 -4.72 118.68 123.99 2c3a s LEU 203 Ca 0.33 0.71 -0.03 0.00 -1.03 0.00 0.00 54.13 54.11 2c3a s LEU 203 Cb -0.12 -2.80 -0.00 0.00 0.03 0.00 0.00 46.19 43.30 2c3a s LEU 203 CO 0.20 0.23 0.77 -0.94 0.23 0.00 0.00 176.35 176.84 2c3a s SER 204 N -1.65 5.79 0.29 2.29 1.04 -1.26 -0.90 113.70 119.30 2c3a s SER 204 Ca 0.29 0.53 0.03 0.00 0.48 0.00 0.00 55.95 57.28 2c3a s SER 204 Cb -0.14 -1.69 0.63 0.00 0.10 0.00 0.00 66.02 64.92 2c3a s SER 204 CO 0.16 -0.82 1.79 -0.65 0.98 0.00 0.00 173.24 174.70 2c3a h PRO 205 N 0.16 0.79 -0.41 4.02 0.11 -1.99 -2.21 132.00 132.47 2c3a h PRO 205 Ca -0.46 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 65.55 2c3a h PRO 205 Cb 1.25 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 2c3a h PRO 205 CO 0.59 0.52 0.02 1.96 -0.21 0.00 0.00 178.00 180.88 2c3a h GLN 206 N 0.81 0.64 -0.44 1.05 7.50 -1.96 -0.68 115.11 122.04 2c3a h GLN 206 Ca 0.53 -0.15 -0.11 0.00 0.50 0.00 0.00 58.65 59.42 2c3a h GLN 206 Cb 0.71 -0.09 -0.01 0.00 0.05 0.00 0.00 27.48 28.13 2c3a h GLN 206 CO -0.34 0.65 -0.15 0.00 -1.50 0.00 0.00 178.83 177.49 2c3a h ALA 207 N 1.41 0.61 -0.50 3.87 0.00 -1.79 -2.08 119.26 120.78 2c3a h ALA 207 Ca 0.13 -0.35 -0.13 0.00 0.00 0.00 0.00 54.91 54.56 2c3a h ALA 207 Cb 0.36 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2c3a h ALA 207 CO 0.01 0.54 -0.19 1.88 0.00 0.00 0.00 179.25 181.49 2c3a h TYR 208 N 0.71 1.16 -0.66 0.00 -1.99 -1.01 -2.32 116.97 112.85 2c3a h TYR 208 Ca 0.11 -0.27 0.00 0.00 2.00 0.00 0.00 58.73 60.57 2c3a h TYR 208 Cb 0.70 -0.27 -0.03 0.00 2.00 0.00 0.00 36.73 39.13 2c3a h TYR 208 CO 0.05 1.10 0.43 1.96 -0.00 0.00 0.00 178.16 181.70 2c3a h GLN 209 N 0.88 0.88 0.00 4.88 4.20 -1.04 -2.17 115.11 122.73 2c3a h GLN 209 Ca 0.12 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.77 2c3a h GLN 209 Cb 0.77 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.35 2c3a h GLN 209 CO 0.06 0.59 0.00 1.96 -0.67 0.00 0.00 178.83 180.77 2c3a h GLN 210 N 0.90 0.00 0.00 1.46 7.50 -1.31 -3.49 115.11 120.17 2c3a h GLN 210 Ca 0.24 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.39 2c3a h GLN 210 Cb -0.09 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.44 2c3a h GLN 210 CO -0.05 0.00 0.00 0.41 -1.50 0.00 0.00 178.83 177.69 2c3a n GLY 211 N 0.48 1.42 3.26 3.46 0.00 -0.82 -5.09 105.19 107.90 2c3a n GLY 211 Ca 0.03 -1.15 -0.32 0.00 0.00 0.00 0.00 46.02 44.58 2c3a n GLY 211 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2c3a s VAL 212 N 0.00 2.24 -0.01 1.61 1.01 -1.25 -4.88 120.40 119.12 2c3a s VAL 212 Ca 0.00 -0.97 -0.01 0.00 0.00 0.00 0.00 61.98 61.00 2c3a s VAL 212 Cb 0.00 -1.86 -0.04 0.00 0.00 0.00 0.00 36.38 34.48 2c3a s VAL 212 CO 0.00 0.56 0.11 0.42 0.00 0.00 0.00 175.10 176.19 2c3a s THR 213 N 0.18 4.93 0.49 3.92 -4.23 -1.26 -0.25 115.64 119.42 2c3a s THR 213 Ca -0.13 -0.33 0.20 0.00 -1.18 0.00 0.00 61.69 60.25 2c3a s THR 213 Cb -0.16 -3.26 0.35 0.00 1.34 0.00 0.00 72.50 70.77 2c3a s THR 213 CO 0.07 0.35 2.01 -0.37 -0.54 0.00 0.00 174.62 176.14 2c3a h VAL 214 N 3.14 0.83 0.11 2.29 -1.51 -1.94 -2.80 116.25 116.37 2c3a h VAL 214 Ca -0.49 -0.05 -0.01 0.00 -1.23 0.00 0.00 66.70 64.92 2c3a h VAL 214 Cb 1.19 0.66 0.00 0.00 -2.13 0.00 0.00 31.29 31.01 2c3a h VAL 214 CO 0.64 0.03 -0.05 0.44 -1.23 0.00 0.00 177.57 177.39 2c3a h ASP 215 N 0.16 -0.13 0.11 4.19 3.32 -1.95 -1.61 116.42 120.51 2c3a h ASP 215 Ca 0.23 -0.28 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 2c3a h ASP 215 Cb 0.70 0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.28 2c3a h ASP 215 CO -0.03 0.22 -0.04 0.77 -1.72 0.00 0.00 179.24 178.44 2c3a h SER 216 N -0.49 0.00 -0.23 6.45 4.64 -1.89 -0.38 113.55 121.66 2c3a h SER 216 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 2c3a h SER 216 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 2c3a h SER 216 CO 0.03 0.04 0.00 2.30 -0.87 0.00 0.00 176.83 178.32 2c3a n ILE 217 N -3.79 0.28 -1.70 0.95 -5.35 -1.21 -5.00 119.36 103.54 2c3a n ILE 217 Ca -0.03 -0.64 0.00 0.00 -0.27 0.00 0.00 62.75 61.82 2c3a n ILE 217 Cb 0.13 1.22 0.00 0.00 -1.74 0.00 0.00 39.64 39.25 2c3a n ILE 217 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2c3a n GLY 218 N 1.42 0.68 3.75 3.28 0.00 -0.15 -5.02 105.19 109.14 2c3a n GLY 218 Ca 0.17 -0.72 -0.40 0.00 0.00 0.00 0.00 46.02 45.06 2c3a n GLY 218 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2c3a s MET 219 N -3.55 4.73 -0.08 1.61 -1.94 -0.62 -4.91 119.30 114.54 2c3a s MET 219 Ca 0.00 1.38 -0.00 0.00 -1.71 0.00 0.00 55.69 55.35 2c3a s MET 219 Cb 0.00 -3.31 -0.03 0.00 2.01 0.00 0.00 34.83 33.50 2c3a s MET 219 CO 0.00 0.43 -0.05 -0.51 -0.01 0.00 0.00 175.02 174.88 2c3a s LEU 220 N -0.77 3.29 -0.07 -0.03 1.43 -0.88 -4.63 118.68 117.02 2c3a s LEU 220 Ca 0.41 0.02 -0.30 0.00 -1.03 0.00 0.00 54.13 53.23 2c3a s LEU 220 Cb -0.24 -1.73 -0.04 0.00 0.03 0.00 0.00 46.19 44.20 2c3a s LEU 220 CO 0.30 0.35 1.42 -2.16 0.23 0.00 0.00 176.35 176.49 2c3a s PRO 221 N -0.73 4.24 0.00 1.29 0.04 -1.26 -2.01 135.00 136.56 2c3a s PRO 221 Ca 0.11 1.92 0.00 0.00 0.04 0.00 0.00 61.00 63.07 2c3a s PRO 221 Cb -0.11 -3.75 0.00 0.00 0.04 0.00 0.00 34.50 30.68 2c3a s PRO 221 CO 0.02 -0.69 0.00 0.54 0.04 0.00 0.00 177.00 176.91 2c3a n ARG 222 N 6.25 1.32 -3.58 4.56 5.12 -0.31 -5.01 116.66 125.02 2c3a n ARG 222 Ca 0.14 0.00 -0.20 0.00 -1.93 0.00 0.00 57.85 55.87 2c3a n ARG 222 Cb 0.44 0.00 -0.02 0.00 -1.16 0.00 0.00 32.46 31.72 2c3a n ARG 222 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 2c3a s PHE 223 N 4.15 2.94 0.72 -1.55 0.40 -1.26 -4.71 117.98 118.68 2c3a s PHE 223 Ca 0.00 -0.31 -0.13 0.00 -0.60 0.00 0.00 56.93 55.90 2c3a s PHE 223 Cb 0.00 -1.97 0.03 0.00 0.51 0.00 0.00 43.02 41.59 2c3a s PHE 223 CO 0.00 0.02 1.10 0.96 0.70 0.00 0.00 175.22 178.00 2c3a s ILE 224 N -2.28 3.30 0.17 0.64 -4.36 -1.26 -4.35 121.20 113.05 2c3a s ILE 224 Ca 0.45 0.50 -0.21 0.00 -0.26 0.00 0.00 60.65 61.13 2c3a s ILE 224 Cb -0.07 -3.01 0.09 0.00 1.25 0.00 0.00 42.46 40.72 2c3a s ILE 224 CO 0.29 -0.47 1.61 -0.65 0.24 0.00 0.00 174.94 175.96 2c3a h PRO 225 N -0.59 -0.18 0.00 0.37 0.11 -1.98 -1.56 132.00 128.17 2c3a h PRO 225 Ca -0.45 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2c3a h PRO 225 Cb 1.24 0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.39 2c3a h PRO 225 CO 0.53 -0.12 0.00 0.39 -0.21 0.00 0.00 178.00 178.59 2c3a n GLU 226 N -5.40 0.00 0.00 1.05 -0.58 -1.26 -1.84 120.64 112.60 2c3a n GLU 226 Ca 0.02 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.76 2c3a n GLU 226 Cb 0.32 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.19 2c3a n GLU 226 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2c3a n ASN 227 N 0.22 0.00 -0.11 1.62 3.02 -0.70 -3.17 115.26 116.14 2c3a n ASN 227 Ca 0.00 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.43 2c3a n ASN 227 Cb 0.00 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.14 2c3a n ASN 227 CO 0.00 0.00 0.00 -0.61 -2.62 0.00 0.00 177.26 174.03 2c3a h GLN 228 N 0.00 0.73 0.00 3.52 5.75 -0.85 -1.78 115.11 122.47 2c3a h GLN 228 Ca 0.00 -0.32 -0.00 0.00 -0.15 0.00 0.00 58.65 58.18 2c3a h GLN 228 Cb 0.00 -0.02 -0.00 0.00 1.07 0.00 0.00 27.48 28.53 2c3a h GLN 228 CO 0.00 0.93 -0.00 0.00 -2.65 0.00 0.00 178.83 177.11 2c3a h ARG 229 N 0.51 0.00 0.16 1.69 3.08 -1.32 -0.48 114.38 118.01 2c3a h ARG 229 Ca 0.07 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.80 2c3a h ARG 229 Cb 0.72 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.78 2c3a h ARG 229 CO 0.05 0.00 -1.59 1.15 -1.07 0.00 0.00 179.97 178.51 2c3a h THR 230 N 0.00 1.11 0.00 2.04 2.02 -1.45 -3.38 112.91 113.25 2c3a h THR 230 Ca -0.00 -2.70 -0.09 0.00 0.77 0.00 0.00 66.41 64.39 2c3a h THR 230 Cb 0.02 2.80 -0.01 0.00 -1.74 0.00 0.00 68.15 69.21 2c3a h THR 230 CO 0.00 0.83 -0.42 -0.37 0.37 0.00 0.00 175.52 175.94 2c3a h VAL 231 N 0.09 0.81 -0.81 3.16 -1.51 -0.45 -2.79 116.25 114.74 2c3a h VAL 231 Ca -0.27 -1.83 0.10 0.00 -1.23 0.00 0.00 66.70 63.47 2c3a h VAL 231 Cb 2.06 2.17 -0.08 0.00 -2.13 0.00 0.00 31.29 33.32 2c3a h VAL 231 CO 0.18 0.41 0.45 0.00 -1.23 0.00 0.00 177.57 177.38 2c3a h ALA 232 N 1.58 1.17 0.07 5.19 0.00 -1.31 -2.40 119.26 123.56 2c3a h ALA 232 Ca -0.00 0.05 -0.27 0.00 0.00 0.00 0.00 54.91 54.68 2c3a h ALA 232 Cb 1.14 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 2c3a h ALA 232 CO 0.05 0.04 -1.36 -0.39 0.00 0.00 0.00 179.25 177.59 2c3a h VAL 233 N 0.73 1.33 -0.19 0.00 -1.51 -1.74 -3.39 116.25 111.48 2c3a h VAL 233 Ca 0.40 -3.00 0.05 0.00 -1.23 0.00 0.00 66.70 62.93 2c3a h VAL 233 Cb 0.42 2.77 -0.06 0.00 -2.13 0.00 0.00 31.29 32.29 2c3a h VAL 233 CO -0.27 0.83 -0.22 0.22 -1.23 0.00 0.00 177.57 176.90 2c3a h TYR 234 N 0.04 -0.57 -0.10 5.19 3.20 -1.14 -1.12 116.97 122.47 2c3a h TYR 234 Ca -0.17 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.73 2c3a h TYR 234 Cb 1.94 0.28 -0.01 0.00 1.54 0.00 0.00 36.73 40.49 2c3a h TYR 234 CO 0.04 -0.30 0.03 0.77 -1.64 0.00 0.00 178.16 177.06 2c3a h SER 235 N -0.24 0.12 0.42 -2.11 0.02 -1.74 -2.49 113.55 107.53 2c3a h SER 235 Ca 0.12 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.04 2c3a h SER 235 Cb 0.43 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.94 2c3a h SER 235 CO -0.34 0.12 -0.20 -0.07 -1.14 0.00 0.00 176.83 175.20 2c3a h LEU 236 N 0.13 -0.48 -1.57 5.07 3.38 -1.51 -3.28 115.31 117.05 2c3a h LEU 236 Ca 0.03 0.02 0.44 0.00 0.09 0.00 0.00 57.88 58.46 2c3a h LEU 236 Cb 0.05 0.12 -0.11 0.00 0.09 0.00 0.00 40.66 40.81 2c3a h LEU 236 CO -0.00 -0.08 0.95 0.11 0.09 0.00 0.00 178.44 179.51 2c3a h LYS 237 N -1.08 0.08 0.02 1.13 1.57 -1.19 -2.54 116.57 114.55 2c3a h LYS 237 Ca -0.06 -0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.50 2c3a h LYS 237 Cb 0.43 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.72 2c3a h LYS 237 CO 0.09 0.05 -0.96 0.82 -0.57 0.00 0.00 179.45 178.88 2c3a h ILE 238 N 0.08 1.47 -0.12 1.86 5.03 -1.51 -1.84 117.51 122.48 2c3a h ILE 238 Ca 0.81 -2.67 0.00 0.00 -0.12 0.00 0.00 64.86 62.88 2c3a h ILE 238 Cb 2.71 2.54 0.00 0.00 -3.03 0.00 0.00 36.82 39.04 2c3a h ILE 238 CO -0.30 0.78 0.00 0.00 -0.68 0.00 0.00 178.15 177.96 2c3a n ALA 239 N -2.49 2.54 -0.11 1.87 0.00 -0.99 -4.92 120.51 116.40 2c3a n ALA 239 Ca -0.05 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 52.93 2c3a n ALA 239 Cb 0.86 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 19.17 2c3a n ALA 239 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2c3a n GLY 240 N 1.09 0.54 3.76 0.00 0.00 -0.69 -5.09 105.19 104.80 2c3a n GLY 240 Ca 0.16 -0.03 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 2c3a n GLY 240 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2c3a s TRP 241 N -1.19 3.94 -1.35 1.61 -0.00 -1.00 -4.95 118.94 115.99 2c3a s TRP 241 Ca 0.00 1.76 -0.09 0.00 -0.00 0.00 0.00 56.10 57.77 2c3a s TRP 241 Cb 0.00 -2.87 0.11 0.00 -0.00 0.00 0.00 33.47 30.71 2c3a s TRP 241 CO 0.00 0.48 2.17 1.58 -0.00 0.00 0.00 176.95 181.17 2c3a n HIS 242 N 1.61 2.89 -3.82 5.86 -0.00 -1.26 -4.65 115.22 115.85 2c3a n HIS 242 Ca -0.04 -2.86 -0.09 0.00 -0.00 0.00 0.00 57.72 54.74 2c3a n HIS 242 Cb 0.48 -2.07 -0.03 0.00 -0.00 0.00 0.00 29.99 28.36 2c3a n HIS 242 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 2c3a s GLY 243 N 1.24 0.01 -0.13 1.57 0.00 -1.26 -4.64 107.32 104.11 2c3a s GLY 243 Ca 0.47 -0.35 -0.07 0.00 0.00 0.00 0.00 44.72 44.77 2c3a s GLY 243 CO -0.04 -0.24 0.13 2.56 0.00 0.00 0.00 173.10 175.51 2c3a s PRO 244 N -3.92 3.50 0.55 2.90 0.04 -1.26 -4.84 135.00 131.98 2c3a s PRO 244 Ca 0.12 -0.16 0.07 0.00 0.04 0.00 0.00 61.00 61.07 2c3a s PRO 244 Cb -0.03 -3.19 0.06 0.00 0.04 0.00 0.00 34.50 31.38 2c3a s PRO 244 CO 0.03 0.72 0.54 0.15 0.04 0.00 0.00 177.00 178.47 2c3a s LYS 245 N -0.85 2.27 0.55 4.56 1.02 -1.26 -5.09 119.74 120.94 2c3a s LYS 245 Ca 0.14 -1.89 -0.21 0.00 0.02 0.00 0.00 55.97 54.03 2c3a s LYS 245 Cb -0.12 -2.28 -0.05 0.00 -0.52 0.00 0.00 37.83 34.86 2c3a s LYS 245 CO 0.03 -0.70 1.28 0.00 -0.92 0.00 0.00 175.35 175.04 2c3a s ALA 246 N -2.74 2.75 0.22 5.17 0.00 -1.26 -4.79 121.76 121.11 2c3a s ALA 246 Ca 0.43 1.18 -0.19 0.00 0.00 0.00 0.00 51.96 53.38 2c3a s ALA 246 Cb -0.03 -3.51 -0.08 0.00 0.00 0.00 0.00 23.12 19.50 2c3a s ALA 246 CO 0.27 -1.21 0.71 -1.25 0.00 0.00 0.00 175.76 174.28 2c3a s PRO 247 N -2.99 4.21 0.36 0.00 0.04 -1.26 -4.63 135.00 130.72 2c3a s PRO 247 Ca 0.72 0.82 -0.28 0.00 0.04 0.00 0.00 61.00 62.30 2c3a s PRO 247 Cb -0.36 -2.86 -0.12 0.00 0.04 0.00 0.00 34.50 31.21 2c3a s PRO 247 CO 0.41 0.39 1.39 0.66 0.04 0.00 0.00 177.00 179.89 2c3a n TYR 248 N 0.67 2.63 -4.29 0.56 0.53 -0.73 -4.87 117.16 111.66 2c3a n TYR 248 Ca -0.02 0.50 -0.27 0.00 -1.02 0.00 0.00 57.90 57.08 2c3a n TYR 248 Cb 0.51 -2.47 -0.06 0.00 -1.03 0.00 0.00 39.34 36.28 2c3a n TYR 248 CO 0.00 0.00 0.00 0.95 -1.02 0.00 0.00 176.86 176.79 2c3a s THR 249 N -1.09 1.85 -0.06 -0.72 -4.23 -1.26 -1.66 115.64 108.47 2c3a s THR 249 Ca 0.54 -1.76 -0.08 0.00 -1.18 0.00 0.00 61.69 59.21 2c3a s THR 249 Cb -0.52 -2.62 -0.05 0.00 1.34 0.00 0.00 72.50 70.65 2c3a s THR 249 CO 0.63 0.00 0.23 -0.44 -0.54 0.00 0.00 174.62 174.50 2c3a s SER 250 N -3.95 6.50 0.04 3.99 0.01 -1.23 -4.52 113.70 114.55 2c3a s SER 250 Ca 0.30 0.59 -0.01 0.00 1.31 0.00 0.00 55.95 58.15 2c3a s SER 250 Cb 0.03 -2.11 -0.04 0.00 0.21 0.00 0.00 66.02 64.11 2c3a s SER 250 CO 0.17 0.35 -0.03 0.42 0.41 0.00 0.00 173.24 174.56 2c3a s THR 251 N -1.11 0.21 0.51 1.44 -4.23 -0.67 -4.89 115.64 106.91 2c3a s THR 251 Ca 0.20 -1.61 0.15 0.00 -1.18 0.00 0.00 61.69 59.25 2c3a s THR 251 Cb -0.13 -1.24 0.27 0.00 1.34 0.00 0.00 72.50 72.74 2c3a s THR 251 CO 0.09 -0.88 2.14 -0.07 -0.54 0.00 0.00 174.62 175.36 2c3a h LEU 252 N 3.49 0.03 -7.15 4.79 3.38 -1.85 0.73 115.31 118.73 2c3a h LEU 252 Ca -0.34 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.54 2c3a h LEU 252 Cb 1.16 -0.01 -0.27 0.00 0.09 0.00 0.00 40.66 41.63 2c3a h LEU 252 CO 0.60 0.02 -0.32 -0.22 0.09 0.00 0.00 178.44 178.62 2c3a s LEU 253 N -9.10 -0.45 0.63 1.67 2.96 -1.26 -4.24 118.68 108.88 2c3a s LEU 253 Ca -0.05 0.99 -0.13 0.00 -0.22 0.00 0.00 54.13 54.72 2c3a s LEU 253 Cb 0.17 1.42 -0.03 0.00 0.50 0.00 0.00 46.19 48.26 2c3a s LEU 253 CO 0.67 -0.22 1.04 -2.16 -1.32 0.00 0.00 176.35 174.37 2c3a s PRO 254 N 2.09 3.33 0.15 0.98 0.04 -1.26 -5.02 135.00 135.31 2c3a s PRO 254 Ca -0.05 0.96 -0.12 0.00 0.04 0.00 0.00 61.00 61.82 2c3a s PRO 254 Cb -0.10 -2.04 0.01 0.00 0.04 0.00 0.00 34.50 32.41 2c3a s PRO 254 CO -0.13 -0.78 1.59 -1.35 0.04 0.00 0.00 177.00 176.37 2c3a h PRO 255 N -0.14 0.86 0.00 0.56 0.11 -2.02 -3.53 132.00 127.84 2c3a h PRO 255 Ca -0.45 -0.28 0.00 0.00 0.11 0.00 0.00 66.00 65.38 2c3a h PRO 255 Cb 1.20 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2c3a h PRO 255 CO 0.59 0.91 0.00 0.28 -0.21 0.00 0.00 178.00 179.57 2c3a n VAL 286 N -4.33 0.00 -2.64 3.15 0.31 -1.26 -5.30 118.33 108.26 2c3a n VAL 286 Ca 0.01 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 64.01 2c3a n VAL 286 Cb 0.32 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 33.20 2c3a n VAL 286 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2c3a s ALA 287 N 0.00 3.02 0.43 3.52 0.00 -1.26 -4.59 121.76 122.88 2c3a s ALA 287 Ca 0.00 0.35 -0.20 0.00 0.00 0.00 0.00 51.96 52.12 2c3a s ALA 287 Cb 0.00 -3.15 -0.10 0.00 0.00 0.00 0.00 23.12 19.86 2c3a s ALA 287 CO 0.00 -0.05 0.93 -1.25 0.00 0.00 0.00 175.76 175.38 2c3a s PRO 288 N -3.49 4.17 -0.19 0.00 0.04 -1.26 -4.98 135.00 129.29 2c3a s PRO 288 Ca 0.62 1.04 -0.28 0.00 0.04 0.00 0.00 61.00 62.42 2c3a s PRO 288 Cb -0.10 -2.21 0.11 0.00 0.04 0.00 0.00 34.50 32.34 2c3a s PRO 288 CO 0.20 -0.03 0.91 -0.65 0.04 0.00 0.00 177.00 177.46 2c3a s GLN 289 N -3.26 0.69 0.18 4.56 -0.21 -1.26 -5.11 119.66 115.26 2c3a s GLN 289 Ca 0.61 0.43 0.09 0.00 0.02 0.00 0.00 55.36 56.51 2c3a s GLN 289 Cb -0.09 0.33 -0.04 0.00 1.00 0.00 0.00 33.01 34.21 2c3a s GLN 289 CO 0.16 -0.16 -0.12 0.96 -2.12 0.00 0.00 175.29 174.01 2c3a s ILE 290 N -0.50 3.07 0.41 1.08 -4.36 -1.26 -4.28 121.20 115.36 2c3a s ILE 290 Ca -0.02 -1.71 -0.19 0.00 -0.26 0.00 0.00 60.65 58.47 2c3a s ILE 290 Cb -0.02 -2.52 -0.14 0.00 1.25 0.00 0.00 42.46 41.03 2c3a s ILE 290 CO 0.01 -0.11 0.01 -2.65 0.24 0.00 0.00 174.94 172.44 2c3a n PRO 291 N 0.07 0.00 0.27 0.37 -0.02 -1.26 -4.84 135.00 129.58 2c3a n PRO 291 Ca -0.11 0.00 0.14 0.00 -2.02 0.00 0.00 63.50 61.51 2c3a n PRO 291 Cb 0.56 -0.93 0.73 0.00 -0.02 0.00 0.00 33.50 33.83 2c3a n PRO 291 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2c3a h PRO 292 N 0.20 0.00 -0.32 0.52 0.11 -1.97 -2.77 132.00 127.77 2c3a h PRO 292 Ca -0.36 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.56 2c3a h PRO 292 Cb 1.35 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.33 2c3a h PRO 292 CO 0.42 0.11 -0.30 0.27 -0.21 0.00 0.00 178.00 178.30 2c3a n ASN 293 N -3.50 2.75 -4.73 -2.05 6.94 -1.26 -5.02 115.26 108.38 2c3a n ASN 293 Ca -0.01 -3.83 -0.35 0.00 -0.02 0.00 0.00 54.58 50.36 2c3a n ASN 293 Cb 0.26 -0.57 -0.09 0.00 -2.36 0.00 0.00 39.78 37.02 2c3a n ASN 293 CO 0.00 0.00 0.00 0.26 -1.03 0.00 0.00 177.26 176.49 2c3a s TRP 294 N -3.32 3.29 0.02 -2.53 0.52 -1.05 -4.93 118.94 110.94 2c3a s TRP 294 Ca 0.44 0.28 0.01 0.00 0.02 0.00 0.00 56.10 56.85 2c3a s TRP 294 Cb 0.40 -1.85 -0.02 0.00 -1.15 0.00 0.00 33.47 30.85 2c3a s TRP 294 CO -0.02 0.52 -0.04 -1.01 0.02 0.00 0.00 176.95 176.42 2c3a s HIS 295 N -0.83 0.36 0.27 -1.98 3.76 -1.26 -4.96 115.29 110.65 2c3a s HIS 295 Ca 0.13 -0.39 -0.30 0.00 -0.15 0.00 0.00 55.06 54.35 2c3a s HIS 295 Cb -0.12 -0.23 -0.10 0.00 1.11 0.00 0.00 32.58 33.24 2c3a s HIS 295 CO 0.03 -0.11 1.38 0.96 -0.85 0.00 0.00 174.74 176.14 2c3a s ILE 296 N -1.07 2.76 1.16 0.60 -0.00 -1.26 -4.96 121.20 118.44 2c3a s ILE 296 Ca -0.10 0.68 -0.19 0.00 -0.00 0.00 0.00 60.65 61.03 2c3a s ILE 296 Cb -0.08 -3.43 0.29 0.00 -0.00 0.00 0.00 42.46 39.25 2c3a s ILE 296 CO -0.00 0.12 0.91 -2.65 -0.00 0.00 0.00 174.94 173.32 2c3a n PRO 297 N 1.91 -3.45 -2.63 0.37 -0.02 -1.26 -4.95 135.00 124.98 2c3a n PRO 297 Ca 0.05 -1.47 -0.43 0.00 -2.02 0.00 0.00 63.50 59.63 2c3a n PRO 297 Cb 0.41 -1.53 -0.02 0.00 -0.02 0.00 0.00 33.50 32.34 2c3a n PRO 297 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2c3a s SER 298 N -3.76 7.17 -0.05 2.55 0.15 -1.26 -5.03 113.70 113.46 2c3a s SER 298 Ca 0.62 1.56 0.03 0.00 0.70 0.00 0.00 55.95 58.86 2c3a s SER 298 Cb -0.08 -2.55 -0.03 0.00 -1.71 0.00 0.00 66.02 61.66 2c3a s SER 298 CO 0.49 -0.53 -0.12 -0.63 1.20 0.00 0.00 173.24 173.64 2c3a s ILE 299 N 2.37 3.23 0.31 6.45 1.01 -1.26 -4.94 121.20 128.37 2c3a s ILE 299 Ca 0.49 -0.66 -0.02 0.00 0.00 0.00 0.00 60.65 60.46 2c3a s ILE 299 Cb -0.19 -2.28 -0.04 0.00 0.01 0.00 0.00 42.46 39.96 2c3a s ILE 299 CO 0.16 0.59 0.53 -1.10 0.00 0.00 0.00 174.94 175.13 2c3a s GLN 300 N -0.75 3.54 -0.37 2.79 -1.52 -0.24 -4.88 119.66 118.24 2c3a s GLN 300 Ca 0.12 -0.21 -0.25 0.00 -1.95 0.00 0.00 55.36 53.07 2c3a s GLN 300 Cb -0.11 -2.67 0.01 0.00 -0.22 0.00 0.00 33.01 30.02 2c3a s GLN 300 CO 0.01 0.19 0.88 0.34 -0.25 0.00 0.00 175.29 176.47 2c3a s ASP 301 N -3.63 6.63 0.34 5.90 3.68 -1.26 -2.44 116.67 125.88 2c3a s ASP 301 Ca 0.41 0.47 0.26 0.00 2.13 0.00 0.00 52.55 55.83 2c3a s ASP 301 Cb -0.10 -2.44 0.89 0.00 -1.45 0.00 0.00 42.92 39.81 2c3a s ASP 301 CO 0.33 -0.84 1.77 0.00 0.13 0.00 0.00 175.17 176.56 2c3a n ALA 303 N -1.90 2.66 -2.68 0.00 0.00 -1.26 -4.82 120.51 112.51 2c3a n ALA 303 Ca 0.03 -0.24 -0.34 0.00 0.00 0.00 0.00 53.44 52.89 2c3a n ALA 303 Cb 0.36 -1.42 -0.09 0.00 0.00 0.00 0.00 19.45 18.30 2c3a n ALA 303 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2c3a s THR 304 N -2.18 4.26 0.39 0.00 -4.23 -1.18 -5.10 115.64 107.61 2c3a s THR 304 Ca 0.40 -0.36 -0.27 0.00 -1.18 0.00 0.00 61.69 60.28 2c3a s THR 304 Cb 0.21 -2.83 -0.11 0.00 1.34 0.00 0.00 72.50 71.12 2c3a s THR 304 CO 0.40 0.53 1.32 -0.81 -0.54 0.00 0.00 174.62 175.52 2c3a n PRO 305 N 1.89 2.14 0.00 3.99 -0.04 -1.26 -4.96 135.00 136.75 2c3a n PRO 305 Ca -0.17 0.75 0.08 0.00 -0.04 0.00 0.00 63.50 64.12 2c3a n PRO 305 Cb 0.53 -2.43 0.47 0.00 -0.04 0.00 0.00 33.50 32.03 2c3a n PRO 305 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44