#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pa4 n ALA 11 N 0.00 1.67 -2.28 5.41 0.00 -1.26 -4.97 120.51 119.08 2pa4 n ALA 11 Ca 0.00 -1.20 -0.43 0.00 0.00 0.00 0.00 53.44 51.82 2pa4 n ALA 11 Cb 0.00 -0.30 -0.02 0.00 0.00 0.00 0.00 19.45 19.13 2pa4 n ALA 11 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2pa4 s VAL 12 N -2.63 3.99 -0.22 0.00 1.01 -1.26 -4.86 120.40 116.44 2pa4 s VAL 12 Ca -0.09 1.24 -0.05 0.00 0.00 0.00 0.00 61.98 63.07 2pa4 s VAL 12 Cb 0.07 -3.80 -0.11 0.00 0.00 0.00 0.00 36.38 32.54 2pa4 s VAL 12 CO 0.84 -0.09 -0.24 0.29 0.00 0.00 0.00 175.10 175.90 2pa4 n LYS 13 N 6.47 0.50 -4.87 2.72 5.02 -1.26 -3.68 118.16 123.05 2pa4 n LYS 13 Ca 0.15 0.17 -0.33 0.00 -2.02 0.00 0.00 58.31 56.28 2pa4 n LYS 13 Cb 0.44 -1.35 -0.14 0.00 -0.02 0.00 0.00 35.03 33.96 2pa4 n LYS 13 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2pa4 s THR 14 N -2.41 2.93 -0.16 -0.18 2.01 -1.26 0.70 115.64 117.27 2pa4 s THR 14 Ca -0.30 -0.73 -0.01 0.00 0.31 0.00 0.00 61.69 60.96 2pa4 s THR 14 Cb 0.10 -2.19 -0.01 0.00 0.01 0.00 0.00 72.50 70.40 2pa4 s THR 14 CO 0.43 0.55 -0.10 -0.69 -0.69 0.00 0.00 174.62 174.12 2pa4 s VAL 15 N -0.00 3.21 -0.22 3.82 1.01 -0.81 -4.14 120.40 123.25 2pa4 s VAL 15 Ca -0.04 -0.59 -0.22 0.00 0.00 0.00 0.00 61.98 61.12 2pa4 s VAL 15 Cb -0.14 -2.38 -0.02 0.00 0.00 0.00 0.00 36.38 33.84 2pa4 s VAL 15 CO 0.04 0.50 0.72 -0.69 0.00 0.00 0.00 175.10 175.66 2pa4 s VAL 16 N 0.65 4.94 -0.41 2.92 1.01 0.10 -1.15 120.40 128.46 2pa4 s VAL 16 Ca -0.05 1.34 0.03 0.00 0.00 0.00 0.00 61.98 63.30 2pa4 s VAL 16 Cb -0.15 -4.02 0.11 0.00 0.00 0.00 0.00 36.38 32.32 2pa4 s VAL 16 CO 0.02 0.02 0.14 -0.69 0.00 0.00 0.00 175.10 174.60 2pa4 s VAL 17 N 2.40 2.52 -0.25 2.92 1.01 -0.47 -1.38 120.40 127.14 2pa4 s VAL 17 Ca 0.31 -2.65 -0.29 0.00 0.00 0.00 0.00 61.98 59.35 2pa4 s VAL 17 Cb -0.16 -2.80 -0.02 0.00 0.00 0.00 0.00 36.38 33.40 2pa4 s VAL 17 CO 0.09 -0.68 1.61 -2.84 0.00 0.00 0.00 175.10 173.28 2pa4 s PRO 18 N 0.52 3.73 -0.24 2.72 0.02 -1.26 -1.42 135.00 139.07 2pa4 s PRO 18 Ca 0.13 1.57 0.21 0.00 0.02 0.00 0.00 61.00 62.93 2pa4 s PRO 18 Cb -0.21 -4.05 0.50 0.00 0.02 0.00 0.00 34.50 30.76 2pa4 s PRO 18 CO -0.05 -1.37 1.13 0.00 -0.33 0.00 0.00 177.00 176.38 2pa4 n ALA 19 N 8.65 2.92 -0.45 -1.55 0.00 0.35 -4.50 120.51 125.92 2pa4 n ALA 19 Ca 0.19 -2.87 0.06 0.00 0.00 0.00 0.00 53.44 50.82 2pa4 n ALA 19 Cb 0.46 -0.79 0.15 0.00 0.00 0.00 0.00 19.45 19.28 2pa4 n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pa4 n ALA 20 N -0.54 2.38 -1.69 0.00 0.00 -1.08 -4.45 120.51 115.13 2pa4 n ALA 20 Ca 0.12 -1.58 -0.29 0.00 0.00 0.00 0.00 53.44 51.69 2pa4 n ALA 20 Cb 0.85 -0.43 0.10 0.00 0.00 0.00 0.00 19.45 19.96 2pa4 n ALA 20 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2pa4 s GLY 21 N -1.43 1.60 0.41 0.00 0.00 -1.26 -4.64 107.32 101.99 2pa4 s GLY 21 Ca 0.25 -0.43 0.22 0.00 0.00 0.00 0.00 44.72 44.77 2pa4 s GLY 21 CO 0.10 0.04 1.54 1.41 0.00 0.00 0.00 173.10 176.19 2pa4 h LEU 22 N -1.13 0.00 -1.97 0.66 3.38 -1.97 -3.48 115.31 110.80 2pa4 h LEU 22 Ca -0.47 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.06 2pa4 h LEU 22 Cb 1.30 0.00 0.03 0.00 0.09 0.00 0.00 40.66 42.08 2pa4 h LEU 22 CO 0.62 0.03 -0.86 0.61 0.09 0.00 0.00 178.44 178.94 2pa4 n GLY 23 N 1.12 -0.36 0.37 0.83 0.00 -1.26 -4.87 105.19 101.01 2pa4 n GLY 23 Ca 0.03 0.18 0.19 0.00 0.00 0.00 0.00 46.02 46.42 2pa4 n GLY 23 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2pa4 h THR 24 N -1.84 0.65 0.00 2.61 1.35 -1.94 -2.27 112.91 111.47 2pa4 h THR 24 Ca -0.62 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.24 2pa4 h THR 24 Cb 1.36 0.76 0.00 0.00 -1.73 0.00 0.00 68.15 68.54 2pa4 h THR 24 CO 0.57 0.00 0.00 0.54 -0.25 0.00 0.00 175.52 176.38 2pa4 n ARG 25 N -4.19 0.07 -0.17 4.72 5.12 -1.26 -2.50 116.66 118.45 2pa4 n ARG 25 Ca 0.07 0.35 0.05 0.00 -1.93 0.00 0.00 57.85 56.39 2pa4 n ARG 25 Cb 0.52 -1.64 0.13 0.00 -1.16 0.00 0.00 32.46 30.32 2pa4 n ARG 25 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 2pa4 n PHE 26 N -1.76 0.40 -2.63 -1.55 3.01 -0.85 -4.53 117.46 109.53 2pa4 n PHE 26 Ca 0.02 -0.62 -0.36 0.00 1.01 0.00 0.00 57.45 57.51 2pa4 n PHE 26 Cb 0.16 -0.10 -0.05 0.00 -0.01 0.00 0.00 39.48 39.48 2pa4 n PHE 26 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 2pa4 s LEU 27 N -1.51 4.14 0.12 4.37 1.43 -1.04 -0.76 118.68 125.42 2pa4 s LEU 27 Ca 0.22 1.94 0.22 0.00 -1.03 0.00 0.00 54.13 55.48 2pa4 s LEU 27 Cb 0.15 -4.22 0.88 0.00 0.03 0.00 0.00 46.19 43.02 2pa4 s LEU 27 CO 0.09 -0.40 1.68 -0.81 0.23 0.00 0.00 176.35 177.15 2pa4 n PRO 28 N -0.07 0.11 -0.29 1.29 -0.04 -1.26 -4.88 135.00 129.85 2pa4 n PRO 28 Ca 0.05 0.25 0.02 0.00 -0.04 0.00 0.00 63.50 63.79 2pa4 n PRO 28 Cb 0.50 -1.67 0.23 0.00 -0.04 0.00 0.00 33.50 32.52 2pa4 n PRO 28 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2pa4 h ALA 29 N 2.52 1.47 -0.01 0.55 0.00 -1.35 -1.67 119.26 120.78 2pa4 h ALA 29 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2pa4 h ALA 29 Cb 0.42 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2pa4 h ALA 29 CO 0.00 0.43 0.00 0.25 0.00 0.00 0.00 179.25 179.93 2pa4 n THR 30 N -4.45 0.02 -0.31 0.00 -2.24 -0.84 -2.86 114.28 103.60 2pa4 n THR 30 Ca 0.12 -0.01 -0.00 0.00 -2.27 0.00 0.00 64.05 61.88 2pa4 n THR 30 Cb 0.13 -0.08 0.18 0.00 -2.10 0.00 0.00 70.33 68.45 2pa4 n THR 30 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2pa4 h LYS 31 N 0.06 1.16 0.00 -0.78 3.64 -1.60 -3.29 116.57 115.75 2pa4 h LYS 31 Ca 0.00 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 2pa4 h LYS 31 Cb 0.10 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 31.66 2pa4 h LYS 31 CO 0.00 0.77 0.00 0.25 -2.27 0.00 0.00 179.45 178.20 2pa4 n THR 32 N -4.41 0.00 -4.32 1.00 -2.24 -1.24 -5.03 114.28 98.05 2pa4 n THR 32 Ca 0.11 -0.27 -0.34 0.00 -2.27 0.00 0.00 64.05 61.28 2pa4 n THR 32 Cb 0.04 1.18 -0.11 0.00 -2.10 0.00 0.00 70.33 69.34 2pa4 n THR 32 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2pa4 s VAL 33 N -0.33 4.17 -0.04 2.28 1.01 -1.13 -5.01 120.40 121.34 2pa4 s VAL 33 Ca 0.00 -0.27 -0.27 0.00 0.00 0.00 0.00 61.98 61.45 2pa4 s VAL 33 Cb 0.00 -2.82 -0.03 0.00 0.00 0.00 0.00 36.38 33.53 2pa4 s VAL 33 CO 0.00 0.51 0.83 -2.84 0.00 0.00 0.00 175.10 173.60 2pa4 s PRO 34 N 0.10 4.49 0.56 2.72 0.02 -1.26 -4.13 135.00 137.50 2pa4 s PRO 34 Ca 0.01 1.13 0.29 0.00 0.02 0.00 0.00 61.00 62.45 2pa4 s PRO 34 Cb -0.13 -3.45 1.46 0.00 0.02 0.00 0.00 34.50 32.40 2pa4 s PRO 34 CO 0.02 0.01 1.92 1.57 -0.33 0.00 0.00 177.00 180.19 2pa4 h LYS 35 N 6.79 0.00 0.00 5.54 2.10 -1.92 0.19 116.57 129.27 2pa4 h LYS 35 Ca -0.41 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.24 2pa4 h LYS 35 Cb 1.21 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.54 2pa4 h LYS 35 CO 0.75 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 178.59 2pa4 n GLU 36 N -4.08 0.17 -0.02 0.07 4.71 -1.26 -2.35 120.64 117.88 2pa4 n GLU 36 Ca 0.12 0.40 0.08 0.00 -0.01 0.00 0.00 57.16 57.75 2pa4 n GLU 36 Cb 0.75 -1.82 0.08 0.00 -1.01 0.00 0.00 31.44 29.43 2pa4 n GLU 36 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 2pa4 n LEU 37 N -2.14 2.44 -4.73 -4.62 4.77 0.68 -2.54 117.00 110.85 2pa4 n LEU 37 Ca 0.02 -1.06 -0.42 0.00 -0.03 0.00 0.00 56.01 54.52 2pa4 n LEU 37 Cb 0.23 -0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.27 2pa4 n LEU 37 CO 0.19 0.45 1.20 -0.76 -1.33 0.00 0.00 177.39 177.14 2pa4 s LEU 38 N -1.35 4.37 -0.09 2.23 1.43 -0.99 -4.49 118.68 119.78 2pa4 s LEU 38 Ca 0.20 2.73 -0.30 0.00 -1.03 0.00 0.00 54.13 55.74 2pa4 s LEU 38 Cb 0.14 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.72 2pa4 s LEU 38 CO 0.21 -0.81 1.27 -2.16 0.23 0.00 0.00 176.35 175.08 2pa4 s PRO 39 N 0.25 4.29 -0.89 1.29 0.04 -1.26 -3.78 135.00 134.94 2pa4 s PRO 39 Ca 0.65 1.73 -0.18 0.00 0.04 0.00 0.00 61.00 63.24 2pa4 s PRO 39 Cb -0.44 -3.65 0.15 0.00 0.04 0.00 0.00 34.50 30.59 2pa4 s PRO 39 CO 0.39 -0.58 1.02 0.08 0.04 0.00 0.00 177.00 177.96 2pa4 s VAL 40 N 2.79 4.96 0.00 -0.36 1.01 0.12 -4.47 120.40 124.45 2pa4 s VAL 40 Ca 0.57 -1.79 0.00 0.00 0.00 0.00 0.00 61.98 60.76 2pa4 s VAL 40 Cb -0.25 -4.69 0.00 0.00 0.00 0.00 0.00 36.38 31.44 2pa4 s VAL 40 CO 0.20 -1.37 0.00 0.52 0.00 0.00 0.00 175.10 174.45 2pa4 n VAL 41 N 5.10 0.00 0.00 2.92 0.31 -1.26 -2.59 118.33 122.80 2pa4 n VAL 41 Ca 0.20 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.53 2pa4 n VAL 41 Cb 0.48 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.41 2pa4 n VAL 41 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 2pa4 n ASP 42 N 4.67 0.61 -4.54 4.52 5.68 -1.26 -5.09 116.55 121.15 2pa4 n ASP 42 Ca 0.00 -0.04 -0.35 0.00 -0.50 0.00 0.00 54.79 53.90 2pa4 n ASP 42 Cb 0.00 0.21 -0.11 0.00 -1.14 0.00 0.00 41.12 40.08 2pa4 n ASP 42 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 2pa4 s THR 43 N -0.33 4.33 0.61 2.12 2.01 -1.07 -4.76 115.64 118.55 2pa4 s THR 43 Ca 0.00 -0.19 -0.18 0.00 0.31 0.00 0.00 61.69 61.63 2pa4 s THR 43 Cb 0.00 -2.95 -0.03 0.00 0.01 0.00 0.00 72.50 69.53 2pa4 s THR 43 CO 0.00 0.44 1.21 -2.84 -0.69 0.00 0.00 174.62 172.75 2pa4 s PRO 44 N 0.67 2.85 0.40 4.92 0.02 -1.26 -0.70 135.00 141.90 2pa4 s PRO 44 Ca 0.01 1.84 0.07 0.00 0.02 0.00 0.00 61.00 62.93 2pa4 s PRO 44 Cb -0.14 -1.91 0.81 0.00 0.02 0.00 0.00 34.50 33.28 2pa4 s PRO 44 CO 0.02 -1.30 2.03 0.78 -0.33 0.00 0.00 177.00 178.19 2pa4 h GLY 45 N 0.72 0.57 1.77 0.52 0.00 -1.64 -1.28 103.07 103.73 2pa4 h GLY 45 Ca -0.50 -0.23 -0.03 0.00 0.00 0.00 0.00 47.33 46.56 2pa4 h GLY 45 CO 0.54 0.23 -0.02 1.19 0.00 0.00 0.00 176.54 178.48 2pa4 h ILE 46 N 0.55 1.14 -0.07 2.60 2.10 -1.60 0.34 117.51 122.57 2pa4 h ILE 46 Ca 0.14 -0.57 -0.18 0.00 1.08 0.00 0.00 64.86 65.34 2pa4 h ILE 46 Cb 0.01 1.02 -0.01 0.00 -1.09 0.00 0.00 36.82 36.75 2pa4 h ILE 46 CO -0.02 0.19 -0.72 -0.08 -1.08 0.00 0.00 178.15 176.44 2pa4 h GLU 47 N 0.29 0.36 -0.24 2.19 4.81 -1.54 -0.17 114.58 120.28 2pa4 h GLU 47 Ca 0.07 -0.29 -0.02 0.00 -0.13 0.00 0.00 59.36 58.99 2pa4 h GLU 47 Cb 0.24 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 2pa4 h GLU 47 CO 0.01 0.93 0.07 -0.07 -0.73 0.00 0.00 179.01 179.22 2pa4 h LEU 48 N 0.24 0.35 -0.68 1.64 3.38 -0.18 -2.42 115.31 117.64 2pa4 h LEU 48 Ca -0.03 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.73 2pa4 h LEU 48 Cb 1.28 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.91 2pa4 h LEU 48 CO 0.12 0.47 0.41 0.40 0.09 0.00 0.00 178.44 179.92 2pa4 h ILE 49 N 0.21 1.20 -0.92 1.22 5.03 -0.32 -2.52 117.51 121.40 2pa4 h ILE 49 Ca 0.08 -0.45 0.04 0.00 -0.12 0.00 0.00 64.86 64.41 2pa4 h ILE 49 Cb 0.25 0.26 -0.05 0.00 -3.03 0.00 0.00 36.82 34.25 2pa4 h ILE 49 CO -0.00 0.21 0.60 0.00 -0.68 0.00 0.00 178.15 178.28 2pa4 h ALA 50 N 1.21 1.42 -0.51 1.87 0.00 -0.84 -0.83 119.26 121.58 2pa4 h ALA 50 Ca 0.24 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 55.00 2pa4 h ALA 50 Cb -0.02 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 2pa4 h ALA 50 CO -0.04 0.48 -0.13 0.00 0.00 0.00 0.00 179.25 179.56 2pa4 h ALA 51 N 1.47 0.80 -0.43 0.00 0.00 -1.13 -0.80 119.26 119.17 2pa4 h ALA 51 Ca 0.37 -0.35 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 2pa4 h ALA 51 Cb 0.03 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2pa4 h ALA 51 CO -0.11 0.66 -0.18 1.49 0.00 0.00 0.00 179.25 181.11 2pa4 h GLU 52 N 0.87 0.88 -0.59 0.00 4.81 -1.05 -1.36 114.58 118.15 2pa4 h GLU 52 Ca 0.13 -0.37 -0.09 0.00 -0.13 0.00 0.00 59.36 58.90 2pa4 h GLU 52 Cb 0.68 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.01 2pa4 h GLU 52 CO 0.05 1.02 0.03 0.00 -0.73 0.00 0.00 179.01 179.38 2pa4 h ALA 53 N 0.84 0.93 -0.16 2.92 0.00 -1.00 -1.15 119.26 121.64 2pa4 h ALA 53 Ca 0.10 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 2pa4 h ALA 53 Cb 0.74 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2pa4 h ALA 53 CO 0.06 0.64 0.08 0.00 0.00 0.00 0.00 179.25 180.03 2pa4 h ALA 54 N 1.09 0.21 -0.85 0.00 0.00 -0.86 -1.35 119.26 117.51 2pa4 h ALA 54 Ca 0.17 -0.08 0.20 0.00 0.00 0.00 0.00 54.91 55.21 2pa4 h ALA 54 Cb 0.50 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.17 2pa4 h ALA 54 CO 0.02 -0.23 0.58 1.49 0.00 0.00 0.00 179.25 181.11 2pa4 h GLU 55 N 0.14 0.29 0.00 0.00 4.81 -0.84 1.20 114.58 120.18 2pa4 h GLU 55 Ca 0.06 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 2pa4 h GLU 55 Cb 0.12 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.43 2pa4 h GLU 55 CO -0.01 0.19 0.00 -0.11 -0.73 0.00 0.00 179.01 178.36 2pa4 n LEU 56 N -4.45 0.00 0.00 1.64 7.94 -0.47 -4.86 117.00 116.80 2pa4 n LEU 56 Ca 0.18 0.43 0.00 0.00 -1.11 0.00 0.00 56.01 55.50 2pa4 n LEU 56 Cb 0.72 -0.43 0.00 0.00 0.53 0.00 0.00 43.42 44.24 2pa4 n LEU 56 CO 0.33 -0.08 0.00 0.61 -1.11 0.00 0.00 177.39 177.14 2pa4 n GLY 57 N 0.91 0.61 3.75 -3.96 0.00 0.41 -4.29 105.19 102.62 2pa4 n GLY 57 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 2pa4 n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pa4 n ALA 58 N -1.38 1.90 0.19 4.61 0.00 -0.69 -4.80 120.51 120.34 2pa4 n ALA 58 Ca 0.00 0.26 0.06 0.00 0.00 0.00 0.00 53.44 53.76 2pa4 n ALA 58 Cb 0.00 -2.37 -0.09 0.00 0.00 0.00 0.00 19.45 16.99 2pa4 n ALA 58 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2pa4 n THR 59 N -0.17 0.00 -4.03 0.00 5.66 0.22 -4.47 114.28 111.49 2pa4 n THR 59 Ca 0.05 -0.26 -0.10 0.00 -3.05 0.00 0.00 64.05 60.69 2pa4 n THR 59 Cb 0.41 0.48 -0.11 0.00 -1.55 0.00 0.00 70.33 69.55 2pa4 n THR 59 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 2pa4 s ARG 60 N -2.64 0.45 -0.21 1.09 0.52 -0.61 -3.12 118.95 114.41 2pa4 s ARG 60 Ca -0.02 -0.77 0.01 0.00 -0.52 0.00 0.00 55.73 54.43 2pa4 s ARG 60 Cb 0.09 -0.03 0.05 0.00 0.52 0.00 0.00 34.95 35.58 2pa4 s ARG 60 CO 0.52 -0.02 -0.10 -1.17 0.02 0.00 0.00 175.30 174.55 2pa4 s LEU 61 N -1.77 2.52 -0.75 2.53 2.96 0.21 -1.93 118.68 122.45 2pa4 s LEU 61 Ca -0.10 -1.02 -0.20 0.00 -0.22 0.00 0.00 54.13 52.60 2pa4 s LEU 61 Cb -0.07 -1.28 0.11 0.00 0.50 0.00 0.00 46.19 45.45 2pa4 s LEU 61 CO -0.02 -0.17 0.94 0.00 -1.32 0.00 0.00 176.35 175.78 2pa4 s ALA 62 N 1.35 3.35 -0.24 5.97 0.00 -0.30 0.05 121.76 131.93 2pa4 s ALA 62 Ca -0.03 -2.38 -0.23 0.00 0.00 0.00 0.00 51.96 49.31 2pa4 s ALA 62 Cb -0.17 -3.81 -0.01 0.00 0.00 0.00 0.00 23.12 19.12 2pa4 s ALA 62 CO -0.07 -2.70 0.78 0.42 0.00 0.00 0.00 175.76 174.18 2pa4 s ILE 63 N 2.92 4.88 -0.14 0.00 1.01 -0.07 -1.37 121.20 128.43 2pa4 s ILE 63 Ca 0.23 1.45 -0.26 0.00 0.00 0.00 0.00 60.65 62.07 2pa4 s ILE 63 Cb -0.14 -4.07 -0.02 0.00 0.01 0.00 0.00 42.46 38.24 2pa4 s ILE 63 CO 0.01 -0.04 0.86 -0.63 0.00 0.00 0.00 174.94 175.13 2pa4 s ILE 64 N 2.74 4.88 0.33 2.92 -1.09 -0.51 -0.49 121.20 129.97 2pa4 s ILE 64 Ca 0.33 1.71 0.03 0.00 -2.23 0.00 0.00 60.65 60.49 2pa4 s ILE 64 Cb -0.15 -4.17 -0.05 0.00 -1.58 0.00 0.00 42.46 36.51 2pa4 s ILE 64 CO 0.08 0.05 0.09 0.28 -1.23 0.00 0.00 174.94 174.22 2pa4 s THR 65 N 1.91 0.81 0.26 2.92 -1.32 0.49 -0.50 115.64 120.21 2pa4 s THR 65 Ca 0.41 -2.00 0.11 0.00 -1.21 0.00 0.00 61.69 59.00 2pa4 s THR 65 Cb -0.17 -2.62 -0.05 0.00 -1.51 0.00 0.00 72.50 68.15 2pa4 s THR 65 CO 0.15 0.00 -0.20 0.00 -2.21 0.00 0.00 174.62 172.36 2pa4 s ALA 66 N -3.42 2.63 0.39 11.08 0.00 -1.26 -0.82 121.76 130.35 2pa4 s ALA 66 Ca 0.34 -1.82 0.13 0.00 0.00 0.00 0.00 51.96 50.61 2pa4 s ALA 66 Cb 0.07 -0.25 0.96 0.00 0.00 0.00 0.00 23.12 23.90 2pa4 s ALA 66 CO 0.15 0.27 1.87 -1.35 0.00 0.00 0.00 175.76 176.71 2pa4 h PRO 67 N 2.43 0.52 -0.65 0.00 0.11 -1.86 -2.20 132.00 130.36 2pa4 h PRO 67 Ca -0.41 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2pa4 h PRO 67 Cb 1.25 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2pa4 h PRO 67 CO 0.59 0.34 0.00 0.09 -0.21 0.00 0.00 178.00 178.81 2pa4 n ASN 68 N -4.53 4.63 -2.20 -2.05 3.02 -1.26 -4.35 115.26 108.52 2pa4 n ASN 68 Ca 0.17 -2.63 -0.23 0.00 -0.03 0.00 0.00 54.58 51.87 2pa4 n ASN 68 Cb 0.56 -0.61 0.02 0.00 -0.61 0.00 0.00 39.78 39.14 2pa4 n ASN 68 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2pa4 n LYS 69 N 0.65 3.38 -0.41 3.52 5.02 -0.83 -4.93 118.16 124.57 2pa4 n LYS 69 Ca 0.22 -4.18 0.36 0.00 -2.02 0.00 0.00 58.31 52.70 2pa4 n LYS 69 Cb 0.94 -2.20 0.69 0.00 -0.02 0.00 0.00 35.03 34.44 2pa4 n LYS 69 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2pa4 h ALA 70 N 2.32 2.98 -0.28 7.82 0.00 -1.76 -2.32 119.26 128.02 2pa4 h ALA 70 Ca 0.31 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.18 2pa4 h ALA 70 Cb 1.37 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.26 2pa4 h ALA 70 CO 0.73 -1.43 -0.04 0.78 0.00 0.00 0.00 179.25 179.29 2pa4 h GLY 71 N 0.10 0.47 0.08 0.00 0.00 -1.96 -2.24 103.07 99.52 2pa4 h GLY 71 Ca 0.69 -0.27 0.03 0.00 0.00 0.00 0.00 47.33 47.77 2pa4 h GLY 71 CO -0.15 0.26 -0.46 -2.08 0.00 0.00 0.00 176.54 174.10 2pa4 h VAL 72 N 0.42 0.10 -0.39 4.60 2.07 -1.83 0.66 116.25 121.87 2pa4 h VAL 72 Ca 0.09 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.46 2pa4 h VAL 72 Cb 0.33 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 2pa4 h VAL 72 CO 0.01 0.00 -0.36 0.25 0.02 0.00 0.00 177.57 177.50 2pa4 h LEU 73 N -0.60 0.96 -1.42 2.57 5.85 -1.75 -3.08 115.31 117.84 2pa4 h LEU 73 Ca 0.04 -0.43 -0.03 0.00 0.84 0.00 0.00 57.88 58.30 2pa4 h LEU 73 Cb 0.68 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 2pa4 h LEU 73 CO -0.34 1.21 0.01 0.00 -0.34 0.00 0.00 178.44 178.98 2pa4 h ALA 74 N 0.83 1.53 -0.69 1.25 0.00 -0.89 -1.09 119.26 120.21 2pa4 h ALA 74 Ca 0.07 -0.15 0.18 0.00 0.00 0.00 0.00 54.91 55.00 2pa4 h ALA 74 Cb 0.94 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 2pa4 h ALA 74 CO 0.09 0.34 0.48 1.25 0.00 0.00 0.00 179.25 181.41 2pa4 h HIS 75 N 0.39 0.17 -0.58 0.00 -0.00 0.42 -1.22 115.15 114.32 2pa4 h HIS 75 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.46 2pa4 h HIS 75 Cb 0.24 -0.05 0.00 0.00 -0.00 0.00 0.00 27.41 27.60 2pa4 h HIS 75 CO 0.01 0.06 0.00 1.19 -0.00 0.00 0.00 177.93 179.18 2pa4 n PHE 76 N -4.39 0.86 -4.36 5.26 3.01 -0.42 -4.41 117.46 113.01 2pa4 n PHE 76 Ca 0.13 -0.41 -0.26 0.00 1.01 0.00 0.00 57.45 57.93 2pa4 n PHE 76 Cb 0.67 -0.03 -0.10 0.00 -0.01 0.00 0.00 39.48 40.00 2pa4 n PHE 76 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 2pa4 s GLU 77 N -1.30 1.91 0.13 -1.08 2.02 -0.46 -4.30 118.70 115.62 2pa4 s GLU 77 Ca 0.40 -1.45 -0.30 0.00 0.02 0.00 0.00 54.97 53.64 2pa4 s GLU 77 Cb 0.22 -2.01 -0.06 0.00 0.10 0.00 0.00 34.13 32.37 2pa4 s GLU 77 CO 0.26 0.39 0.96 1.03 0.02 0.00 0.00 175.26 177.92 2pa4 s ARG 78 N -3.09 4.72 -0.60 1.61 0.52 -1.26 -4.93 118.95 115.91 2pa4 s ARG 78 Ca 0.26 1.47 -0.04 0.00 -0.52 0.00 0.00 55.73 56.90 2pa4 s ARG 78 Cb -0.07 -3.36 0.16 0.00 0.52 0.00 0.00 34.95 32.20 2pa4 s ARG 78 CO 0.15 0.26 0.43 -1.54 0.02 0.00 0.00 175.30 174.61 2pa4 s SER 79 N -0.20 5.39 0.46 0.23 1.04 -1.26 -4.92 113.70 114.44 2pa4 s SER 79 Ca 0.46 -2.68 0.13 0.00 0.48 0.00 0.00 55.95 54.34 2pa4 s SER 79 Cb -0.24 -1.89 1.06 0.00 0.10 0.00 0.00 66.02 65.05 2pa4 s SER 79 CO 0.30 -0.43 2.07 -1.28 0.98 0.00 0.00 173.24 174.88 2pa4 h SER 80 N 7.31 0.13 0.26 7.02 0.87 -1.98 -0.77 113.55 126.38 2pa4 h SER 80 Ca -0.03 -0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.52 2pa4 h SER 80 Cb 0.98 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.88 2pa4 h SER 80 CO 0.72 0.16 -0.35 -0.08 -0.53 0.00 0.00 176.83 176.75 2pa4 h GLU 81 N 0.15 -0.65 -0.63 2.24 4.81 -1.99 -0.64 114.58 117.87 2pa4 h GLU 81 Ca 0.04 0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.26 2pa4 h GLU 81 Cb 0.11 0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.61 2pa4 h GLU 81 CO 0.00 -0.43 0.19 1.25 -0.73 0.00 0.00 179.01 179.29 2pa4 h LEU 82 N -0.67 0.92 -0.59 1.64 5.85 -1.86 -1.84 115.31 118.76 2pa4 h LEU 82 Ca -0.00 -0.21 -0.04 0.00 0.84 0.00 0.00 57.88 58.47 2pa4 h LEU 82 Cb 0.64 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 2pa4 h LEU 82 CO -0.12 0.89 0.22 -0.33 -0.34 0.00 0.00 178.44 178.77 2pa4 h GLU 83 N 0.91 0.89 0.73 1.25 5.08 -1.02 -1.23 114.58 121.19 2pa4 h GLU 83 Ca 0.20 -0.17 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 2pa4 h GLU 83 Cb 0.31 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.42 2pa4 h GLU 83 CO -0.00 0.77 -0.35 1.49 -1.00 0.00 0.00 179.01 179.92 2pa4 h GLU 84 N 0.82 -0.94 -0.76 2.33 4.81 -1.03 -1.63 114.58 118.18 2pa4 h GLU 84 Ca 0.19 0.06 0.18 0.00 -0.13 0.00 0.00 59.36 59.66 2pa4 h GLU 84 Cb 0.23 0.21 -0.13 0.00 0.63 0.00 0.00 28.75 29.69 2pa4 h GLU 84 CO -0.01 -0.61 0.08 1.15 -0.73 0.00 0.00 179.01 178.89 2pa4 h THR 85 N -1.05 0.39 0.00 0.32 2.02 -1.23 0.18 112.91 113.54 2pa4 h THR 85 Ca -0.10 -0.06 -0.04 0.00 0.77 0.00 0.00 66.41 66.99 2pa4 h THR 85 Cb 0.77 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 2pa4 h THR 85 CO 0.16 0.03 -0.17 -0.07 0.37 0.00 0.00 175.52 175.84 2pa4 h LEU 86 N 0.16 0.00 0.27 2.58 3.38 -0.98 -3.03 115.31 117.69 2pa4 h LEU 86 Ca 0.43 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.39 2pa4 h LEU 86 Cb 0.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.52 2pa4 h LEU 86 CO -0.62 0.17 -0.13 0.24 0.09 0.00 0.00 178.44 178.19 2pa4 h MET 87 N 0.00 -0.35 -0.42 1.13 2.86 0.34 -2.63 114.93 115.86 2pa4 h MET 87 Ca -0.00 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 2pa4 h MET 87 Cb 0.34 0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.08 2pa4 h MET 87 CO 0.02 -0.10 0.00 0.39 1.06 0.00 0.00 176.91 178.28 2pa4 n GLU 88 N -5.16 0.69 0.00 1.72 1.02 -1.08 -1.97 120.64 115.87 2pa4 n GLU 88 Ca -0.10 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.04 2pa4 n GLU 88 Cb 0.23 -1.21 0.00 0.00 -0.02 0.00 0.00 31.44 30.44 2pa4 n GLU 88 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2pa4 n ARG 89 N -0.10 4.46 0.00 3.49 5.12 -1.17 -5.04 116.66 123.42 2pa4 n ARG 89 Ca 0.00 -0.06 0.00 0.00 -1.93 0.00 0.00 57.85 55.86 2pa4 n ARG 89 Cb 0.11 -0.47 0.00 0.00 -1.16 0.00 0.00 32.46 30.94 2pa4 n ARG 89 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2pa4 n GLY 90 N 0.66 0.38 3.10 -0.13 0.00 -0.83 -5.06 105.19 103.30 2pa4 n GLY 90 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 2pa4 n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pa4 s LYS 91 N -0.88 2.82 0.44 1.61 1.02 -1.00 -4.83 119.74 118.91 2pa4 s LYS 91 Ca 0.00 -2.80 0.23 0.00 0.02 0.00 0.00 55.97 53.41 2pa4 s LYS 91 Cb 0.00 -3.81 0.98 0.00 -0.52 0.00 0.00 37.83 34.48 2pa4 s LYS 91 CO 0.00 -1.21 1.86 1.15 -0.92 0.00 0.00 175.35 176.23 2pa4 h THR 92 N 4.84 0.69 -0.83 2.17 2.02 -1.89 -2.91 112.91 117.00 2pa4 h THR 92 Ca 0.05 -1.09 0.16 0.00 0.77 0.00 0.00 66.41 66.30 2pa4 h THR 92 Cb 0.90 1.70 -0.06 0.00 -1.74 0.00 0.00 68.15 68.95 2pa4 h THR 92 CO 0.76 0.24 0.55 0.44 0.37 0.00 0.00 175.52 177.88 2pa4 h ASP 93 N 0.00 0.46 0.66 4.18 5.19 -1.95 -1.24 116.42 123.72 2pa4 h ASP 93 Ca -0.00 0.03 -0.27 0.00 -0.62 0.00 0.00 57.03 56.17 2pa4 h ASP 93 Cb 0.68 -0.06 -0.03 0.00 0.18 0.00 0.00 39.33 40.10 2pa4 h ASP 93 CO 0.03 0.22 -1.38 1.56 -3.12 0.00 0.00 179.24 176.56 2pa4 h GLN 94 N 0.48 0.09 -0.42 3.56 7.50 -1.92 -3.22 115.11 121.19 2pa4 h GLN 94 Ca 0.42 -0.16 0.12 0.00 0.50 0.00 0.00 58.65 59.52 2pa4 h GLN 94 Cb 0.90 0.06 -0.02 0.00 0.05 0.00 0.00 27.48 28.47 2pa4 h GLN 94 CO -0.16 0.91 0.30 0.28 -1.50 0.00 0.00 178.83 178.66 2pa4 h VAL 95 N 0.03 0.80 -0.12 -0.54 2.07 -1.27 0.13 116.25 117.34 2pa4 h VAL 95 Ca -0.17 -0.01 -0.19 0.00 0.82 0.00 0.00 66.70 67.15 2pa4 h VAL 95 Cb 1.92 0.78 0.01 0.00 -1.52 0.00 0.00 31.29 32.48 2pa4 h VAL 95 CO 0.13 0.00 -0.67 -0.08 0.02 0.00 0.00 177.57 176.97 2pa4 h GLU 96 N 0.02 0.68 -0.79 1.57 4.22 -1.55 -3.05 114.58 115.68 2pa4 h GLU 96 Ca 0.20 -0.56 -0.01 0.00 0.08 0.00 0.00 59.36 59.07 2pa4 h GLU 96 Cb 0.77 0.12 -0.04 0.00 0.50 0.00 0.00 28.75 30.10 2pa4 h GLU 96 CO -0.01 1.18 0.45 0.82 -2.18 0.00 0.00 179.01 179.27 2pa4 h ILE 97 N 0.35 1.23 -0.03 2.32 2.04 -1.04 -2.00 117.51 120.38 2pa4 h ILE 97 Ca -0.05 -0.54 0.00 0.00 1.00 0.00 0.00 64.86 65.27 2pa4 h ILE 97 Cb 1.31 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.54 2pa4 h ILE 97 CO 0.14 0.25 0.00 2.30 0.00 0.00 0.00 178.15 180.84 2pa4 n ILE 98 N -4.36 0.04 0.09 -0.67 -5.35 -0.44 -3.33 119.36 105.34 2pa4 n ILE 98 Ca 0.08 -0.09 0.04 0.00 -0.27 0.00 0.00 62.75 62.51 2pa4 n ILE 98 Cb 0.09 -0.13 -0.06 0.00 -1.74 0.00 0.00 39.64 37.79 2pa4 n ILE 98 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2pa4 n ARG 99 N -0.52 1.22 -0.11 6.28 1.74 -0.81 -4.76 116.66 119.69 2pa4 n ARG 99 Ca 0.17 -0.06 -0.12 0.00 -0.77 0.00 0.00 57.85 57.07 2pa4 n ARG 99 Cb 0.15 -1.13 -0.07 0.00 -1.02 0.00 0.00 32.46 30.40 2pa4 n ARG 99 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 2pa4 h ARG 100 N 0.00 -0.37 -0.14 5.56 2.43 -1.40 -0.03 114.38 120.43 2pa4 h ARG 100 Ca 0.00 0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.21 2pa4 h ARG 100 Cb 0.35 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.96 2pa4 h ARG 100 CO 0.00 -0.25 0.03 0.00 -1.51 0.00 0.00 179.97 178.24 2pa4 h ALA 101 N 0.19 0.14 -0.89 2.80 0.00 -1.86 0.16 119.26 119.80 2pa4 h ALA 101 Ca 0.10 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.07 2pa4 h ALA 101 Cb 0.60 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.37 2pa4 h ALA 101 CO -0.56 -0.41 0.58 0.00 0.00 0.00 0.00 179.25 178.86 2pa4 h ALA 102 N 1.10 1.43 0.00 0.00 0.00 -1.70 -2.49 119.26 117.59 2pa4 h ALA 102 Ca 0.06 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 2pa4 h ALA 102 Cb 0.05 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 2pa4 h ALA 102 CO -0.08 0.49 -0.69 -0.44 0.00 0.00 0.00 179.25 178.54 2pa4 h ASP 103 N 1.13 0.00 -0.54 0.00 3.45 -0.64 -3.35 116.42 116.47 2pa4 h ASP 103 Ca 0.35 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.81 2pa4 h ASP 103 Cb -0.00 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 38.74 2pa4 h ASP 103 CO -0.10 0.69 0.33 -0.07 -1.57 0.00 0.00 179.24 178.51 2pa4 h LEU 104 N 0.00 0.64 -7.27 1.55 3.38 -0.49 -3.47 115.31 109.65 2pa4 h LEU 104 Ca -0.01 -0.05 0.03 0.00 0.09 0.00 0.00 57.88 57.94 2pa4 h LEU 104 Cb 1.40 -0.16 -0.11 0.00 0.09 0.00 0.00 40.66 41.89 2pa4 h LEU 104 CO 0.09 0.51 0.26 -0.51 0.09 0.00 0.00 178.44 178.88 2pa4 s ILE 105 N -6.00 0.00 -0.23 1.22 2.07 -1.23 -4.86 121.20 112.16 2pa4 s ILE 105 Ca -0.13 -0.27 -0.20 0.00 -1.41 0.00 0.00 60.65 58.64 2pa4 s ILE 105 Cb 0.12 -1.29 -0.02 0.00 0.13 0.00 0.00 42.46 41.40 2pa4 s ILE 105 CO 0.75 0.00 0.59 -0.75 -1.91 0.00 0.00 174.94 173.62 2pa4 s LYS 106 N -3.69 4.15 -0.11 3.50 2.20 -1.18 -4.73 119.74 119.87 2pa4 s LYS 106 Ca 0.04 0.50 -0.18 0.00 -0.36 0.00 0.00 55.97 55.98 2pa4 s LYS 106 Cb -0.02 -3.61 -0.04 0.00 -1.51 0.00 0.00 37.83 32.64 2pa4 s LYS 106 CO -0.07 -0.30 0.45 0.00 -0.36 0.00 0.00 175.35 175.07 2pa4 s ALA 107 N 2.13 3.50 -0.22 3.13 0.00 -1.26 0.68 121.76 129.72 2pa4 s ALA 107 Ca 0.26 -0.21 0.02 0.00 0.00 0.00 0.00 51.96 52.02 2pa4 s ALA 107 Cb -0.16 -2.60 0.05 0.00 0.00 0.00 0.00 23.12 20.41 2pa4 s ALA 107 CO 0.09 0.04 -0.12 0.08 0.00 0.00 0.00 175.76 175.85 2pa4 s VAL 108 N 0.48 1.96 0.24 0.00 1.01 0.11 -4.92 120.40 119.27 2pa4 s VAL 108 Ca 0.25 -1.29 -0.30 0.00 0.00 0.00 0.00 61.98 60.65 2pa4 s VAL 108 Cb -0.15 -2.00 -0.09 0.00 0.00 0.00 0.00 36.38 34.14 2pa4 s VAL 108 CO 0.10 0.14 1.08 -2.16 0.00 0.00 0.00 175.10 174.26 2pa4 s PRO 109 N 1.24 4.65 -0.18 2.72 0.04 -1.26 -0.89 135.00 141.32 2pa4 s PRO 109 Ca -0.04 1.73 -0.01 0.00 0.04 0.00 0.00 61.00 62.72 2pa4 s PRO 109 Cb -0.17 -3.23 0.05 0.00 0.04 0.00 0.00 34.50 31.18 2pa4 s PRO 109 CO -0.08 0.20 -0.02 0.08 0.04 0.00 0.00 177.00 177.22 2pa4 s VAL 110 N -0.81 0.95 0.10 -0.36 1.01 0.35 -4.88 120.40 116.77 2pa4 s VAL 110 Ca 0.46 -0.65 -0.28 0.00 0.00 0.00 0.00 61.98 61.50 2pa4 s VAL 110 Cb -0.30 -1.24 -0.06 0.00 0.00 0.00 0.00 36.38 34.78 2pa4 s VAL 110 CO 0.38 -0.00 0.89 -0.89 0.00 0.00 0.00 175.10 175.47 2pa4 s THR 111 N 1.68 4.54 -0.37 3.92 2.01 -1.26 -0.38 115.64 125.78 2pa4 s THR 111 Ca -0.01 1.92 0.04 0.00 0.31 0.00 0.00 61.69 63.95 2pa4 s THR 111 Cb -0.16 -4.25 0.11 0.00 0.01 0.00 0.00 72.50 68.20 2pa4 s THR 111 CO -0.07 0.35 0.09 -1.58 -0.69 0.00 0.00 174.62 172.72 2pa4 s GLN 112 N -0.15 1.55 0.19 4.92 0.74 -0.00 -4.91 119.66 122.00 2pa4 s GLN 112 Ca 0.43 -2.00 -0.17 0.00 0.05 0.00 0.00 55.36 53.68 2pa4 s GLN 112 Cb -0.23 -3.21 0.16 0.00 1.10 0.00 0.00 33.01 30.83 2pa4 s GLN 112 CO 0.28 -0.97 1.63 -0.44 -0.55 0.00 0.00 175.29 175.24 2pa4 h ASP 113 N 7.43 -0.67 -4.32 6.67 3.32 -1.96 -3.41 116.42 123.48 2pa4 h ASP 113 Ca -0.05 0.17 -0.59 0.00 0.02 0.00 0.00 57.03 56.58 2pa4 h ASP 113 Cb 1.00 0.39 -0.27 0.00 0.22 0.00 0.00 39.33 40.67 2pa4 h ASP 113 CO 0.55 -0.22 -0.85 -0.54 -1.72 0.00 0.00 179.24 176.46 2pa4 s LYS 114 N -6.17 1.49 -1.38 3.56 -0.14 -1.26 -4.76 119.74 111.08 2pa4 s LYS 114 Ca -0.14 -0.90 -0.16 0.00 -1.36 0.00 0.00 55.97 53.40 2pa4 s LYS 114 Cb 0.17 -1.57 0.05 0.00 -1.68 0.00 0.00 37.83 34.80 2pa4 s LYS 114 CO 0.71 0.41 2.00 -0.35 -0.76 0.00 0.00 175.35 177.37 2pa4 n PRO 115 N 2.02 2.98 0.14 -1.68 -0.04 -1.26 -4.67 135.00 132.49 2pa4 n PRO 115 Ca -0.17 -2.90 0.13 0.00 -0.04 0.00 0.00 63.50 60.52 2pa4 n PRO 115 Cb 0.53 -3.38 0.50 0.00 -0.04 0.00 0.00 33.50 31.11 2pa4 n PRO 115 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2pa4 h LEU 116 N 11.27 0.00 0.00 1.53 3.38 -1.96 -3.48 115.31 126.05 2pa4 h LEU 116 Ca 0.51 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.48 2pa4 h LEU 116 Cb 0.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.50 2pa4 h LEU 116 CO 1.69 0.00 0.00 0.61 0.09 0.00 0.00 178.44 180.83 2pa4 n GLY 117 N 0.14 3.93 0.31 0.83 0.00 -1.26 -0.84 105.19 108.30 2pa4 n GLY 117 Ca 0.02 -1.26 -0.08 0.00 0.00 0.00 0.00 46.02 44.70 2pa4 n GLY 117 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2pa4 h LEU 118 N 0.00 1.04 -0.14 0.99 5.85 -1.90 -0.95 115.31 120.20 2pa4 h LEU 118 Ca 0.00 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.46 2pa4 h LEU 118 Cb 0.00 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.75 2pa4 h LEU 118 CO 0.00 1.03 0.04 1.23 -0.34 0.00 0.00 178.44 180.41 2pa4 h GLY 119 N 1.01 0.23 1.52 3.75 0.00 -0.89 -0.96 103.07 107.73 2pa4 h GLY 119 Ca 0.20 -0.14 0.01 0.00 0.00 0.00 0.00 47.33 47.41 2pa4 h GLY 119 CO 0.01 0.13 0.30 0.84 0.00 0.00 0.00 176.54 177.82 2pa4 h HIS 120 N 0.05 0.54 -0.23 5.60 -0.00 -1.34 -0.85 115.15 118.91 2pa4 h HIS 120 Ca 0.05 0.01 -0.04 0.00 -0.00 0.00 0.00 60.37 60.39 2pa4 h HIS 120 Cb 0.22 -0.18 -0.01 0.00 -0.00 0.00 0.00 27.41 27.44 2pa4 h HIS 120 CO -0.00 0.33 -0.01 0.00 -0.00 0.00 0.00 177.93 178.25 2pa4 h ALA 121 N 1.72 0.32 -0.79 5.26 0.00 -0.60 -2.85 119.26 122.32 2pa4 h ALA 121 Ca 0.17 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2pa4 h ALA 121 Cb -0.01 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 2pa4 h ALA 121 CO -0.04 0.05 0.41 0.28 0.00 0.00 0.00 179.25 179.95 2pa4 h VAL 122 N 0.19 1.24 -0.20 0.00 2.07 -0.76 -2.42 116.25 116.36 2pa4 h VAL 122 Ca 0.07 -0.63 0.06 0.00 0.82 0.00 0.00 66.70 67.01 2pa4 h VAL 122 Cb 0.42 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 2pa4 h VAL 122 CO 0.01 0.28 0.14 1.23 0.02 0.00 0.00 177.57 179.25 2pa4 h GLY 123 N 1.10 0.02 2.00 2.17 0.00 -0.95 -1.06 103.07 106.35 2pa4 h GLY 123 Ca 0.28 -0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.59 2pa4 h GLY 123 CO -0.04 0.00 -0.05 1.41 0.00 0.00 0.00 176.54 177.86 2pa4 h LEU 124 N 0.01 0.00 -0.08 3.11 3.38 -1.25 -2.64 115.31 117.84 2pa4 h LEU 124 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2pa4 h LEU 124 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 2pa4 h LEU 124 CO -0.00 0.05 -0.16 0.00 0.09 0.00 0.00 178.44 178.41 2pa4 n ALA 125 N -2.19 2.79 -0.19 1.53 0.00 -0.40 -4.26 120.51 117.79 2pa4 n ALA 125 Ca -0.02 -0.22 -0.04 0.00 0.00 0.00 0.00 53.44 53.16 2pa4 n ALA 125 Cb 0.18 -1.34 0.02 0.00 0.00 0.00 0.00 19.45 18.32 2pa4 n ALA 125 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2pa4 h GLU 126 N 0.20 -0.12 0.00 0.00 4.81 -1.60 0.12 114.58 117.99 2pa4 h GLU 126 Ca 0.00 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2pa4 h GLU 126 Cb 0.44 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.85 2pa4 h GLU 126 CO 0.00 -0.08 -0.00 0.66 -0.73 0.00 0.00 179.01 178.85 2pa4 h SER 127 N -0.13 0.00 1.07 1.04 4.64 -1.83 -3.09 113.55 115.24 2pa4 h SER 127 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 2pa4 h SER 127 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 2pa4 h SER 127 CO -0.64 0.00 -0.48 0.58 -0.87 0.00 0.00 176.83 175.43 2pa4 h VAL 128 N 0.00 0.00 -3.65 0.95 2.07 -1.02 -3.47 116.25 111.14 2pa4 h VAL 128 Ca -0.00 -0.55 -0.50 0.00 0.82 0.00 0.00 66.70 66.48 2pa4 h VAL 128 Cb 0.07 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 2pa4 h VAL 128 CO 0.00 0.00 0.09 -0.76 0.02 0.00 0.00 177.57 176.92 2pa4 s LEU 129 N -4.47 3.86 0.54 2.57 1.43 -1.17 -5.04 118.68 116.40 2pa4 s LEU 129 Ca 0.07 1.09 -0.21 0.00 -1.03 0.00 0.00 54.13 54.05 2pa4 s LEU 129 Cb 0.12 -3.96 -0.05 0.00 0.03 0.00 0.00 46.19 42.33 2pa4 s LEU 129 CO 0.69 -0.37 1.23 -1.81 0.23 0.00 0.00 176.35 176.32 2pa4 s ASP 130 N -3.14 5.53 0.55 2.29 1.11 -1.26 -4.88 116.67 116.87 2pa4 s ASP 130 Ca 0.50 2.44 0.29 0.00 0.18 0.00 0.00 52.55 55.97 2pa4 s ASP 130 Cb -0.10 -2.61 1.62 0.00 1.07 0.00 0.00 42.92 42.90 2pa4 s ASP 130 CO 0.31 -1.37 2.14 0.44 1.18 0.00 0.00 175.17 177.88 2pa4 h ASP 131 N 1.39 0.00 0.00 0.27 3.32 -1.96 -2.20 116.42 117.24 2pa4 h ASP 131 Ca -0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.55 2pa4 h ASP 131 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.83 2pa4 h ASP 131 CO 0.57 0.07 0.00 -0.67 -1.72 0.00 0.00 179.24 177.50 2pa4 n ASP 132 N -3.64 0.00 -4.68 6.45 2.03 -1.26 -4.78 116.55 110.67 2pa4 n ASP 132 Ca -0.02 -1.21 -0.38 0.00 0.52 0.00 0.00 54.79 53.70 2pa4 n ASP 132 Cb 0.18 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.51 2pa4 n ASP 132 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2pa4 s GLU 133 N -2.00 4.19 0.15 -0.67 2.02 -0.83 -4.98 118.70 116.58 2pa4 s GLU 133 Ca 0.31 0.22 0.23 0.00 0.02 0.00 0.00 54.97 55.75 2pa4 s GLU 133 Cb 0.14 -3.53 0.12 0.00 0.10 0.00 0.00 34.13 30.97 2pa4 s GLU 133 CO 0.24 -0.02 1.13 -0.25 0.02 0.00 0.00 175.26 176.38 2pa4 n ASP 134 N 4.39 0.75 -4.24 -0.19 8.00 -1.26 -4.95 116.55 119.06 2pa4 n ASP 134 Ca -0.08 0.17 -0.17 0.00 0.71 0.00 0.00 54.79 55.42 2pa4 n ASP 134 Cb 0.51 0.42 -0.11 0.00 -0.02 0.00 0.00 41.12 41.92 2pa4 n ASP 134 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2pa4 s VAL 135 N -3.27 1.25 -0.39 2.53 0.11 -1.26 -3.90 120.40 115.48 2pa4 s VAL 135 Ca 0.02 -1.80 -0.07 0.00 -2.93 0.00 0.00 61.98 57.20 2pa4 s VAL 135 Cb 0.12 -1.59 0.07 0.00 -1.53 0.00 0.00 36.38 33.45 2pa4 s VAL 135 CO 0.77 -0.52 0.19 -0.69 -3.33 0.00 0.00 175.10 171.52 2pa4 s VAL 136 N -2.47 3.91 -0.18 2.04 1.01 0.14 -4.93 120.40 119.93 2pa4 s VAL 136 Ca 0.11 -1.39 -0.21 0.00 0.00 0.00 0.00 61.98 60.48 2pa4 s VAL 136 Cb -0.03 -3.36 -0.03 0.00 0.00 0.00 0.00 36.38 32.96 2pa4 s VAL 136 CO 0.02 -0.40 0.65 0.00 0.00 0.00 0.00 175.10 175.37 2pa4 s ALA 137 N 1.37 3.52 -0.12 5.51 0.00 -1.26 -0.50 121.76 130.28 2pa4 s ALA 137 Ca 0.02 -0.19 0.03 0.00 0.00 0.00 0.00 51.96 51.82 2pa4 s ALA 137 Cb -0.22 -2.98 0.00 0.00 0.00 0.00 0.00 23.12 19.93 2pa4 s ALA 137 CO 0.01 -0.49 -0.23 0.08 0.00 0.00 0.00 175.76 175.14 2pa4 s VAL 138 N 1.75 2.04 -0.15 0.00 1.01 -0.40 0.03 120.40 124.68 2pa4 s VAL 138 Ca 0.31 -0.99 -0.01 0.00 0.00 0.00 0.00 61.98 61.28 2pa4 s VAL 138 Cb -0.16 -1.78 0.04 0.00 0.00 0.00 0.00 36.38 34.47 2pa4 s VAL 138 CO 0.11 0.55 -0.05 -0.04 0.00 0.00 0.00 175.10 175.68 2pa4 s MET 139 N 0.54 1.33 -0.06 2.72 -1.94 -0.48 -1.55 119.30 119.87 2pa4 s MET 139 Ca -0.14 -0.42 -0.30 0.00 -1.71 0.00 0.00 55.69 53.12 2pa4 s MET 139 Cb -0.17 -1.87 -0.02 0.00 2.01 0.00 0.00 34.83 34.78 2pa4 s MET 139 CO 0.04 -0.41 1.08 -0.51 -0.01 0.00 0.00 175.02 175.21 2pa4 s LEU 140 N 1.69 4.29 0.00 -0.03 1.43 -0.07 -4.30 118.68 121.69 2pa4 s LEU 140 Ca 0.02 1.68 0.20 0.00 -1.03 0.00 0.00 54.13 55.00 2pa4 s LEU 140 Cb -0.15 -3.56 0.97 0.00 0.03 0.00 0.00 46.19 43.48 2pa4 s LEU 140 CO -0.08 -0.46 1.65 -0.81 0.23 0.00 0.00 176.35 176.88 2pa4 n PRO 141 N 4.81 0.17 -0.87 1.29 -0.04 -1.26 -2.88 135.00 136.22 2pa4 n PRO 141 Ca 0.09 0.12 -0.07 0.00 -0.04 0.00 0.00 63.50 63.60 2pa4 n PRO 141 Cb 0.48 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.66 2pa4 n PRO 141 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2pa4 n ASP 142 N -1.38 3.32 -3.67 3.54 5.75 -1.26 -3.86 116.55 118.99 2pa4 n ASP 142 Ca 0.08 -3.54 -0.17 0.00 -0.01 0.00 0.00 54.79 51.15 2pa4 n ASP 142 Cb 0.20 -0.68 -0.16 0.00 -1.03 0.00 0.00 41.12 39.45 2pa4 n ASP 142 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2pa4 s ASP 143 N -1.96 0.75 -0.13 -1.12 -1.08 -1.14 -0.14 116.67 111.85 2pa4 s ASP 143 Ca 0.48 0.29 -0.02 0.00 -0.52 0.00 0.00 52.55 52.78 2pa4 s ASP 143 Cb 0.42 0.20 -0.02 0.00 -1.46 0.00 0.00 42.92 42.05 2pa4 s ASP 143 CO 0.06 -0.24 -0.07 -0.76 0.52 0.00 0.00 175.17 174.67 2pa4 s LEU 144 N 2.19 3.05 -0.27 -1.34 1.43 0.17 -4.81 118.68 119.11 2pa4 s LEU 144 Ca 0.03 -0.17 0.02 0.00 -1.03 0.00 0.00 54.13 52.97 2pa4 s LEU 144 Cb -0.12 -1.71 0.06 0.00 0.03 0.00 0.00 46.19 44.45 2pa4 s LEU 144 CO -0.05 0.21 -0.09 -0.69 0.23 0.00 0.00 176.35 175.95 2pa4 s VAL 145 N 0.13 2.29 0.09 -1.59 1.01 -1.26 -0.94 120.40 120.13 2pa4 s VAL 145 Ca -0.03 -1.60 0.09 0.00 0.00 0.00 0.00 61.98 60.44 2pa4 s VAL 145 Cb -0.14 -2.34 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 2pa4 s VAL 145 CO 0.04 -0.04 -0.22 -0.76 0.00 0.00 0.00 175.10 174.11 2pa4 s LEU 146 N 1.12 2.47 1.13 3.92 1.43 -0.37 -3.69 118.68 124.69 2pa4 s LEU 146 Ca -0.08 -0.59 -0.14 0.00 -1.03 0.00 0.00 54.13 52.28 2pa4 s LEU 146 Cb -0.20 -1.39 0.26 0.00 0.03 0.00 0.00 46.19 44.88 2pa4 s LEU 146 CO -0.04 0.21 1.06 -2.16 0.23 0.00 0.00 176.35 175.64 2pa4 s PRO 147 N -1.79 -0.62 0.37 1.29 0.04 -1.26 -2.53 135.00 130.51 2pa4 s PRO 147 Ca 0.15 0.49 -0.22 0.00 0.04 0.00 0.00 61.00 61.46 2pa4 s PRO 147 Cb -0.10 -1.62 -0.10 0.00 0.04 0.00 0.00 34.50 32.72 2pa4 s PRO 147 CO 0.06 -3.43 0.92 0.95 0.04 0.00 0.00 177.00 175.54 2pa4 s THR 148 N -2.74 4.36 0.00 1.26 -4.23 -1.24 -4.55 115.64 108.49 2pa4 s THR 148 Ca 0.67 1.56 0.00 0.00 -1.18 0.00 0.00 61.69 62.74 2pa4 s THR 148 Cb -0.19 -3.76 0.00 0.00 1.34 0.00 0.00 72.50 69.89 2pa4 s THR 148 CO 0.60 -0.12 0.00 0.61 -0.54 0.00 0.00 174.62 175.17 2pa4 n GLY 149 N -0.13 -0.61 0.30 3.99 0.00 -1.26 -5.01 105.19 102.46 2pa4 n GLY 149 Ca 0.05 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.22 2pa4 n GLY 149 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2pa4 h VAL 150 N 0.00 0.49 -0.16 1.61 2.07 -1.88 -0.18 116.25 118.20 2pa4 h VAL 150 Ca 0.00 -0.02 -0.13 0.00 0.82 0.00 0.00 66.70 67.38 2pa4 h VAL 150 Cb 0.00 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 2pa4 h VAL 150 CO 0.00 0.00 -0.44 0.24 0.02 0.00 0.00 177.57 177.39 2pa4 h MET 151 N 0.00 0.38 -0.56 1.57 2.86 -1.98 0.13 114.93 117.33 2pa4 h MET 151 Ca -0.00 -0.20 -0.10 0.00 -2.06 0.00 0.00 59.70 57.34 2pa4 h MET 151 Cb 0.01 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.66 2pa4 h MET 151 CO 0.00 0.76 -0.05 1.05 1.06 0.00 0.00 176.91 179.73 2pa4 h GLU 152 N 0.31 1.03 -0.33 1.72 4.11 -1.45 -1.53 114.58 118.44 2pa4 h GLU 152 Ca 0.02 -0.35 -0.04 0.00 0.07 0.00 0.00 59.36 59.06 2pa4 h GLU 152 Cb 0.90 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 2pa4 h GLU 152 CO 0.08 1.04 0.07 0.00 0.07 0.00 0.00 179.01 180.27 2pa4 h ARG 153 N 0.91 0.54 -0.66 1.06 3.08 -1.24 -2.94 114.38 115.14 2pa4 h ARG 153 Ca 0.15 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 60.07 2pa4 h ARG 153 Cb 0.61 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.56 2pa4 h ARG 153 CO 0.04 0.61 0.42 0.52 -1.07 0.00 0.00 179.97 180.48 2pa4 h MET 154 N 0.38 0.87 -0.18 0.04 2.86 -0.78 -2.29 114.93 115.83 2pa4 h MET 154 Ca 0.10 -0.06 -0.13 0.00 -2.06 0.00 0.00 59.70 57.55 2pa4 h MET 154 Cb 0.32 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 2pa4 h MET 154 CO 0.00 0.59 -0.46 0.00 1.06 0.00 0.00 176.91 178.11 2pa4 h ALA 155 N 1.56 0.88 -0.34 6.32 0.00 -1.20 -2.60 119.26 123.89 2pa4 h ALA 155 Ca 0.24 -0.46 0.01 0.00 0.00 0.00 0.00 54.91 54.70 2pa4 h ALA 155 Cb -0.07 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2pa4 h ALA 155 CO -0.05 0.65 0.20 1.96 0.00 0.00 0.00 179.25 182.01 2pa4 h GLN 156 N 0.36 0.39 -0.30 0.00 4.20 -1.24 -1.14 115.11 117.38 2pa4 h GLN 156 Ca 0.02 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 2pa4 h GLN 156 Cb 0.94 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.62 2pa4 h GLN 156 CO 0.08 0.26 0.02 0.28 -0.67 0.00 0.00 178.83 178.80 2pa4 h VAL 157 N 0.40 1.17 -0.03 -0.54 2.07 -1.33 -2.23 116.25 115.76 2pa4 h VAL 157 Ca 0.13 -0.64 -0.18 0.00 0.82 0.00 0.00 66.70 66.83 2pa4 h VAL 157 Cb 0.00 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 2pa4 h VAL 157 CO -0.06 0.22 -0.76 -0.09 0.02 0.00 0.00 177.57 176.89 2pa4 h ARG 158 N 0.43 0.24 -0.48 1.57 2.43 -1.04 -0.58 114.38 116.96 2pa4 h ARG 158 Ca 0.10 -0.21 -0.08 0.00 -0.81 0.00 0.00 59.98 58.97 2pa4 h ARG 158 Cb 0.25 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.83 2pa4 h ARG 158 CO 0.00 0.89 -0.04 0.00 -1.51 0.00 0.00 179.97 179.31 2pa4 h ALA 159 N 1.04 1.02 0.06 2.80 0.00 -0.88 1.18 119.26 124.48 2pa4 h ALA 159 Ca -0.03 -0.29 -0.27 0.00 0.00 0.00 0.00 54.91 54.31 2pa4 h ALA 159 Cb 1.34 -0.19 0.02 0.00 0.00 0.00 0.00 17.79 18.96 2pa4 h ALA 159 CO 0.12 0.60 -1.13 1.49 0.00 0.00 0.00 179.25 180.33 2pa4 h GLU 160 N 0.77 0.59 -0.00 0.00 4.81 -1.22 -3.39 114.58 116.12 2pa4 h GLU 160 Ca 0.14 -0.71 0.00 0.00 -0.13 0.00 0.00 59.36 58.66 2pa4 h GLU 160 Cb 0.52 0.22 0.00 0.00 0.63 0.00 0.00 28.75 30.12 2pa4 h GLU 160 CO 0.03 1.30 -0.07 1.19 -0.73 0.00 0.00 179.01 180.73 2pa4 n PHE 161 N -3.78 0.00 -4.55 0.92 3.01 -0.24 -5.10 117.46 107.72 2pa4 n PHE 161 Ca -0.11 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.35 2pa4 n PHE 161 Cb 0.93 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.40 2pa4 n PHE 161 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2pa4 n GLY 162 N 1.02 -0.57 7.00 1.37 0.00 0.40 -4.92 105.19 109.49 2pa4 n GLY 162 Ca 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.93 2pa4 n GLY 162 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pa4 n GLY 163 N 0.00 0.12 3.84 -0.02 0.00 -1.26 -4.69 105.19 103.18 2pa4 n GLY 163 Ca 0.00 -0.98 -0.27 0.00 0.00 0.00 0.00 46.02 44.78 2pa4 n GLY 163 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2pa4 s SER 164 N -4.00 5.76 -0.02 1.61 0.01 -0.16 -4.31 113.70 112.59 2pa4 s SER 164 Ca 0.00 -0.03 0.01 0.00 1.31 0.00 0.00 55.95 57.24 2pa4 s SER 164 Cb 0.00 -1.58 0.02 0.00 0.21 0.00 0.00 66.02 64.66 2pa4 s SER 164 CO 0.00 0.08 -0.01 -0.69 0.41 0.00 0.00 173.24 173.02 2pa4 s VAL 165 N -1.71 0.21 0.19 3.43 1.01 0.62 -1.73 120.40 122.41 2pa4 s VAL 165 Ca 0.32 -0.00 0.09 0.00 0.00 0.00 0.00 61.98 62.39 2pa4 s VAL 165 Cb -0.11 -0.25 -0.04 0.00 0.00 0.00 0.00 36.38 35.98 2pa4 s VAL 165 CO 0.25 0.12 -0.19 -0.76 0.00 0.00 0.00 175.10 174.51 2pa4 s LEU 166 N 0.59 2.47 -0.09 3.92 1.02 -0.48 -0.66 118.68 125.46 2pa4 s LEU 166 Ca -0.06 -0.90 -0.09 0.00 0.02 0.00 0.00 54.13 53.10 2pa4 s LEU 166 Cb -0.09 -0.90 -0.04 0.00 0.02 0.00 0.00 46.19 45.17 2pa4 s LEU 166 CO -0.01 -0.01 0.21 0.00 0.02 0.00 0.00 176.35 176.56 2pa4 s ALA 168 N -1.00 1.73 0.00 0.00 0.00 -0.21 -1.77 121.76 120.52 2pa4 s ALA 168 Ca 0.17 -1.61 -0.05 0.00 0.00 0.00 0.00 51.96 50.47 2pa4 s ALA 168 Cb -0.13 0.09 -0.00 0.00 0.00 0.00 0.00 23.12 23.08 2pa4 s ALA 168 CO 0.06 -0.08 0.10 0.14 0.00 0.00 0.00 175.76 175.99 2pa4 s VAL 169 N -3.22 0.08 0.26 0.00 -7.23 -0.45 -1.07 120.40 108.76 2pa4 s VAL 169 Ca 0.21 -0.66 -0.29 0.00 -1.81 0.00 0.00 61.98 59.42 2pa4 s VAL 169 Cb 0.02 -0.37 -0.09 0.00 0.56 0.00 0.00 36.38 36.50 2pa4 s VAL 169 CO 0.04 -0.36 0.97 -0.70 -0.31 0.00 0.00 175.10 174.74 2pa4 s GLU 170 N -1.24 4.78 0.17 4.82 2.12 -1.26 -0.45 118.70 127.65 2pa4 s GLU 170 Ca -0.13 1.52 0.06 0.00 0.36 0.00 0.00 54.97 56.78 2pa4 s GLU 170 Cb -0.07 -3.19 -0.04 0.00 0.26 0.00 0.00 34.13 31.08 2pa4 s GLU 170 CO 0.01 0.43 -0.13 0.08 -0.54 0.00 0.00 175.26 175.11 2pa4 s VAL 171 N -1.24 1.49 0.53 3.70 1.01 0.27 -4.90 120.40 121.25 2pa4 s VAL 171 Ca 0.43 -2.07 -0.18 0.00 0.00 0.00 0.00 61.98 60.16 2pa4 s VAL 171 Cb -0.26 -1.88 -0.07 0.00 0.00 0.00 0.00 36.38 34.17 2pa4 s VAL 171 CO 0.32 -0.60 1.03 -0.94 0.00 0.00 0.00 175.10 174.91 2pa4 s SER 172 N -3.09 6.19 0.49 3.32 1.04 -1.26 -4.81 113.70 115.57 2pa4 s SER 172 Ca 0.18 1.83 0.32 0.00 0.48 0.00 0.00 55.95 58.76 2pa4 s SER 172 Cb -0.01 -2.54 1.42 0.00 0.10 0.00 0.00 66.02 64.99 2pa4 s SER 172 CO 0.04 -0.88 1.75 -0.08 0.98 0.00 0.00 173.24 175.04 2pa4 h GLU 173 N 1.07 0.12 -0.00 4.02 4.81 -1.98 0.13 114.58 122.75 2pa4 h GLU 173 Ca -0.48 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 2pa4 h GLU 173 Cb 1.21 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.57 2pa4 h GLU 173 CO 0.59 0.08 -0.13 0.00 -0.73 0.00 0.00 179.01 178.82 2pa4 n ALA 174 N -2.66 2.67 0.71 2.92 0.00 -1.26 -3.85 120.51 119.03 2pa4 n ALA 174 Ca 0.29 -0.18 0.07 0.00 0.00 0.00 0.00 53.44 53.62 2pa4 n ALA 174 Cb 1.24 -1.38 -0.08 0.00 0.00 0.00 0.00 19.45 19.23 2pa4 n ALA 174 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2pa4 n ASP 175 N -1.43 0.74 -0.20 0.00 8.00 0.43 -4.56 116.55 119.53 2pa4 n ASP 175 Ca 0.08 -0.87 -0.02 0.00 0.71 0.00 0.00 54.79 54.69 2pa4 n ASP 175 Cb 0.32 0.98 0.19 0.00 -0.02 0.00 0.00 41.12 42.59 2pa4 n ASP 175 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2pa4 h VAL 176 N 0.08 1.22 0.00 2.53 2.07 -1.64 -2.44 116.25 118.07 2pa4 h VAL 176 Ca 0.00 -0.63 0.00 0.00 0.82 0.00 0.00 66.70 66.89 2pa4 h VAL 176 Cb 0.36 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 2pa4 h VAL 176 CO 0.00 0.26 0.00 -1.20 0.02 0.00 0.00 177.57 176.65 2pa4 n SER 177 N -4.33 0.26 0.01 0.57 7.64 -1.26 -2.53 113.62 113.98 2pa4 n SER 177 Ca 0.06 0.58 0.11 0.00 1.01 0.00 0.00 58.87 60.64 2pa4 n SER 177 Cb 0.14 -0.63 0.03 0.00 -1.01 0.00 0.00 64.21 62.74 2pa4 n SER 177 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2pa4 n LYS 178 N -1.81 0.12 -4.02 1.43 5.02 -0.92 -4.48 118.16 113.50 2pa4 n LYS 178 Ca 0.02 -0.01 -0.22 0.00 -2.02 0.00 0.00 58.31 56.08 2pa4 n LYS 178 Cb 0.13 -1.53 -0.06 0.00 -0.02 0.00 0.00 35.03 33.55 2pa4 n LYS 178 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2pa4 n TYR 179 N -1.68 0.29 -3.19 2.13 0.53 -1.05 -4.85 117.16 109.35 2pa4 n TYR 179 Ca 0.03 -2.13 -0.40 0.00 -1.02 0.00 0.00 57.90 54.39 2pa4 n TYR 179 Cb 0.37 -0.06 -0.07 0.00 -1.03 0.00 0.00 39.34 38.56 2pa4 n TYR 179 CO 0.00 0.00 0.00 0.20 -1.02 0.00 0.00 176.86 176.04 2pa4 s GLY 180 N -3.10 1.99 -0.19 2.72 0.00 -1.26 0.11 107.32 107.58 2pa4 s GLY 180 Ca 0.13 -0.40 -0.05 0.00 0.00 0.00 0.00 44.72 44.41 2pa4 s GLY 180 CO 0.09 1.23 -0.01 -0.42 0.00 0.00 0.00 173.10 173.99 2pa4 s ILE 181 N 1.95 3.93 0.32 0.90 1.09 0.89 0.12 121.20 130.40 2pa4 s ILE 181 Ca 0.25 -0.33 -0.24 0.00 -1.10 0.00 0.00 60.65 59.24 2pa4 s ILE 181 Cb -0.16 -2.77 -0.10 0.00 -1.06 0.00 0.00 42.46 38.38 2pa4 s ILE 181 CO 0.10 0.45 0.91 -0.36 -0.10 0.00 0.00 174.94 175.93 2pa4 s PHE 182 N 0.84 3.63 -0.41 3.97 0.40 -0.78 -1.50 117.98 124.11 2pa4 s PHE 182 Ca 0.00 1.70 -0.07 0.00 -0.60 0.00 0.00 56.93 57.96 2pa4 s PHE 182 Cb -0.14 -2.86 0.09 0.00 0.51 0.00 0.00 43.02 40.61 2pa4 s PHE 182 CO 0.02 0.18 0.23 -2.00 0.70 0.00 0.00 175.22 174.35 2pa4 s GLU 183 N -2.22 2.38 0.14 0.44 2.12 -0.42 -3.90 118.70 117.25 2pa4 s GLU 183 Ca 0.51 -1.60 -0.31 0.00 0.36 0.00 0.00 54.97 53.93 2pa4 s GLU 183 Cb -0.17 -3.69 -0.09 0.00 0.26 0.00 0.00 34.13 30.45 2pa4 s GLU 183 CO 0.22 -1.00 1.47 0.42 -0.54 0.00 0.00 175.26 175.83 2pa4 s ILE 184 N 1.31 2.98 -0.20 -3.70 -1.09 -1.26 0.64 121.20 119.87 2pa4 s ILE 184 Ca 0.04 0.71 -0.16 0.00 -2.23 0.00 0.00 60.65 59.00 2pa4 s ILE 184 Cb -0.23 -3.45 -0.12 0.00 -1.58 0.00 0.00 42.46 37.08 2pa4 s ILE 184 CO -0.01 0.06 -0.09 1.21 -1.23 0.00 0.00 174.94 174.88 2pa4 n GLU 185 N 3.90 0.54 -3.49 2.79 2.13 -0.23 -4.65 120.64 121.61 2pa4 n GLU 185 Ca 0.12 0.45 -0.15 0.00 0.66 0.00 0.00 57.16 58.24 2pa4 n GLU 185 Cb 0.41 -1.63 -0.05 0.00 0.27 0.00 0.00 31.44 30.43 2pa4 n GLU 185 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2pa4 s ALA 186 N -2.56 -1.73 1.10 4.31 0.00 -1.16 -5.00 121.76 116.71 2pa4 s ALA 186 Ca -0.28 1.08 -0.18 0.00 0.00 0.00 0.00 51.96 52.58 2pa4 s ALA 186 Cb 0.07 0.24 0.26 0.00 0.00 0.00 0.00 23.12 23.68 2pa4 s ALA 186 CO 0.45 -0.50 1.25 -0.51 0.00 0.00 0.00 175.76 176.46 2pa4 s ASP 187 N -1.69 1.86 0.15 0.00 -0.00 -1.26 -1.54 116.67 114.19 2pa4 s ASP 187 Ca -0.06 0.31 -0.03 0.00 -0.00 0.00 0.00 52.55 52.77 2pa4 s ASP 187 Cb -0.00 -0.35 -0.03 0.00 -0.00 0.00 0.00 42.92 42.53 2pa4 s ASP 187 CO 0.02 -3.51 0.13 -0.89 -0.00 0.00 0.00 175.17 170.92 2pa4 s THR 188 N -3.55 0.07 0.29 -1.27 2.01 -1.22 -4.65 115.64 107.33 2pa4 s THR 188 Ca 0.75 -1.79 0.06 0.00 0.31 0.00 0.00 61.69 61.01 2pa4 s THR 188 Cb -0.05 -2.08 0.36 0.00 0.01 0.00 0.00 72.50 70.75 2pa4 s THR 188 CO 0.55 -0.34 1.41 1.17 -0.69 0.00 0.00 174.62 176.71 2pa4 n LYS 189 N -0.16 -0.07 -3.58 4.92 4.81 -1.26 -4.09 118.16 118.74 2pa4 n LYS 189 Ca -0.05 1.31 -0.37 0.00 -0.87 0.00 0.00 58.31 58.33 2pa4 n LYS 189 Cb 0.64 -2.16 -0.06 0.00 0.02 0.00 0.00 35.03 33.47 2pa4 n LYS 189 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2pa4 s ASP 190 N -4.89 6.64 0.46 3.14 1.01 -1.26 -4.99 116.67 116.77 2pa4 s ASP 190 Ca -0.11 0.76 0.25 0.00 0.71 0.00 0.00 52.55 54.16 2pa4 s ASP 190 Cb 0.27 -2.20 0.99 0.00 1.01 0.00 0.00 42.92 43.00 2pa4 s ASP 190 CO 0.70 0.28 1.86 0.77 0.21 0.00 0.00 175.17 178.99 2pa4 h SER 191 N 5.26 0.00 -0.20 0.27 4.64 -2.02 -3.11 113.55 118.39 2pa4 h SER 191 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 2pa4 h SER 191 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 2pa4 h SER 191 CO 0.64 0.19 0.00 0.47 -0.87 0.00 0.00 176.83 177.27 2pa4 n ASP 192 N -3.37 1.71 -4.07 4.97 8.00 -1.26 -4.78 116.55 117.75 2pa4 n ASP 192 Ca 0.00 -1.76 -0.28 0.00 0.71 0.00 0.00 54.79 53.46 2pa4 n ASP 192 Cb 0.41 -0.13 -0.17 0.00 -0.02 0.00 0.00 41.12 41.21 2pa4 n ASP 192 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2pa4 s VAL 193 N -1.74 1.48 0.05 2.53 1.01 -1.17 0.36 120.40 122.91 2pa4 s VAL 193 Ca 0.31 -0.65 0.02 0.00 0.00 0.00 0.00 61.98 61.66 2pa4 s VAL 193 Cb 0.17 -1.34 -0.03 0.00 0.00 0.00 0.00 36.38 35.18 2pa4 s VAL 193 CO 0.25 0.43 -0.08 -0.54 0.00 0.00 0.00 175.10 175.16 2pa4 s LYS 194 N 0.82 0.60 0.07 2.72 1.02 -0.56 -3.38 119.74 121.03 2pa4 s LYS 194 Ca -0.10 -0.89 -0.14 0.00 0.02 0.00 0.00 55.97 54.86 2pa4 s LYS 194 Cb -0.16 -0.29 -0.06 0.00 -0.52 0.00 0.00 37.83 36.80 2pa4 s LYS 194 CO 0.01 0.04 0.46 0.21 -0.92 0.00 0.00 175.35 175.15 2pa4 s LYS 195 N -2.06 3.91 0.14 1.68 2.20 -0.59 -0.36 119.74 124.67 2pa4 s LYS 195 Ca -0.05 0.40 0.09 0.00 -0.36 0.00 0.00 55.97 56.05 2pa4 s LYS 195 Cb -0.07 -3.07 -0.04 0.00 -1.51 0.00 0.00 37.83 33.14 2pa4 s LYS 195 CO -0.01 0.59 -0.17 0.14 -0.36 0.00 0.00 175.35 175.54 2pa4 s VAL 196 N -1.29 2.84 -0.69 4.02 -7.23 -0.70 -1.07 120.40 116.29 2pa4 s VAL 196 Ca 0.31 -1.63 0.09 0.00 -1.81 0.00 0.00 61.98 58.94 2pa4 s VAL 196 Cb -0.16 -2.34 -0.03 0.00 0.56 0.00 0.00 36.38 34.42 2pa4 s VAL 196 CO 0.17 0.02 0.52 1.17 -0.31 0.00 0.00 175.10 176.67 2pa4 n LYS 197 N 0.53 2.73 -3.61 4.82 4.81 0.21 -4.68 118.16 122.97 2pa4 n LYS 197 Ca -0.14 -0.41 -0.03 0.00 -0.87 0.00 0.00 58.31 56.86 2pa4 n LYS 197 Cb 0.54 -1.00 -0.02 0.00 0.02 0.00 0.00 35.03 34.57 2pa4 n LYS 197 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 2pa4 s GLY 198 N -1.39 -0.29 -0.06 3.14 0.00 -1.17 -4.87 107.32 102.69 2pa4 s GLY 198 Ca 0.06 1.56 -0.03 0.00 0.00 0.00 0.00 44.72 46.32 2pa4 s GLY 198 CO 0.25 0.50 0.13 -0.29 0.00 0.00 0.00 173.10 173.70 2pa4 s MET 199 N -2.30 0.08 -0.03 2.90 1.75 -1.26 -1.30 119.30 119.14 2pa4 s MET 199 Ca 0.11 0.33 0.02 0.00 -1.25 0.00 0.00 55.69 54.90 2pa4 s MET 199 Cb 0.00 -0.16 0.01 0.00 2.84 0.00 0.00 34.83 37.52 2pa4 s MET 199 CO -0.04 -0.15 -0.08 0.54 -0.65 0.00 0.00 175.02 174.64 2pa4 s VAL 200 N 1.05 0.70 -0.30 10.11 0.11 -0.56 -4.70 120.40 126.81 2pa4 s VAL 200 Ca -0.08 -0.30 -0.20 0.00 -2.93 0.00 0.00 61.98 58.47 2pa4 s VAL 200 Cb -0.11 -0.64 -0.01 0.00 -1.53 0.00 0.00 36.38 34.09 2pa4 s VAL 200 CO -0.05 0.23 0.62 -0.70 -3.33 0.00 0.00 175.10 171.87 2pa4 s GLU 201 N 0.35 3.90 -1.08 1.54 2.56 -1.26 -0.08 118.70 124.63 2pa4 s GLU 201 Ca -0.05 0.29 -0.19 0.00 0.00 0.00 0.00 54.97 55.02 2pa4 s GLU 201 Cb -0.10 -3.72 -0.00 0.00 2.00 0.00 0.00 34.13 32.31 2pa4 s GLU 201 CO 0.01 -0.55 0.76 1.63 -0.56 0.00 0.00 175.26 176.54 2pa4 n LYS 202 N 5.85 -1.15 -2.62 4.30 5.02 0.29 -4.87 118.16 124.97 2pa4 n LYS 202 Ca -0.01 0.53 -0.32 0.00 -2.02 0.00 0.00 58.31 56.48 2pa4 n LYS 202 Cb 0.49 -3.90 -0.04 0.00 -0.02 0.00 0.00 35.03 31.56 2pa4 n LYS 202 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2pa4 s PRO 203 N -5.79 4.00 0.71 1.97 0.04 -1.26 -4.89 135.00 129.78 2pa4 s PRO 203 Ca 0.40 0.90 -0.16 0.00 0.04 0.00 0.00 61.00 62.18 2pa4 s PRO 203 Cb -0.15 -2.21 0.02 0.00 0.04 0.00 0.00 34.50 32.20 2pa4 s PRO 203 CO 0.87 -0.15 1.11 0.00 0.04 0.00 0.00 177.00 178.87 2pa4 n ALA 204 N -1.22 0.20 0.18 8.56 0.00 -1.26 -4.01 120.51 122.96 2pa4 n ALA 204 Ca 0.06 -0.16 0.09 0.00 0.00 0.00 0.00 53.44 53.44 2pa4 n ALA 204 Cb 0.54 -2.20 0.62 0.00 0.00 0.00 0.00 19.45 18.41 2pa4 n ALA 204 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2pa4 h ILE 205 N -0.14 0.97 -0.63 0.00 2.04 -1.95 -2.72 117.51 115.08 2pa4 h ILE 205 Ca -0.48 -0.03 -0.07 0.00 1.00 0.00 0.00 64.86 65.28 2pa4 h ILE 205 Cb 1.33 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 38.27 2pa4 h ILE 205 CO 0.48 0.01 0.12 1.05 0.00 0.00 0.00 178.15 179.82 2pa4 h GLU 206 N 0.08 1.01 -0.94 2.37 9.09 -1.98 -3.23 114.58 120.98 2pa4 h GLU 206 Ca 0.06 -0.25 -0.56 0.00 0.05 0.00 0.00 59.36 58.66 2pa4 h GLU 206 Cb 0.16 -0.13 -0.29 0.00 -1.65 0.00 0.00 28.75 26.84 2pa4 h GLU 206 CO -0.01 0.92 0.62 -0.40 0.05 0.00 0.00 179.01 180.20 2pa4 n ASP 207 N -4.23 5.40 -4.52 3.06 5.68 -1.03 -4.95 116.55 115.96 2pa4 n ASP 207 Ca 0.04 -3.71 -0.38 0.00 -0.50 0.00 0.00 54.79 50.24 2pa4 n ASP 207 Cb 0.27 -0.86 -0.11 0.00 -1.14 0.00 0.00 41.12 39.28 2pa4 n ASP 207 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2pa4 s ALA 208 N -3.54 3.41 -1.20 2.12 0.00 -1.22 -4.77 121.76 116.56 2pa4 s ALA 208 Ca 0.59 -1.22 0.08 0.00 0.00 0.00 0.00 51.96 51.41 2pa4 s ALA 208 Cb 0.48 -2.43 0.37 0.00 0.00 0.00 0.00 23.12 21.54 2pa4 s ALA 208 CO 0.05 -0.70 1.19 -0.35 0.00 0.00 0.00 175.76 175.95 2pa4 n PRO 209 N 5.03 0.05 -1.10 0.00 -0.04 -1.26 -4.89 135.00 132.79 2pa4 n PRO 209 Ca -0.14 0.29 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 2pa4 n PRO 209 Cb 0.51 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 2pa4 n PRO 209 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2pa4 n SER 210 N -1.40 0.00 -0.12 3.54 3.41 -1.25 -4.71 113.62 113.08 2pa4 n SER 210 Ca 0.03 -0.69 0.08 0.00 -0.26 0.00 0.00 58.87 58.02 2pa4 n SER 210 Cb 0.08 0.00 0.11 0.00 -0.26 0.00 0.00 64.21 64.14 2pa4 n SER 210 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2pa4 n ARG 211 N 0.00 1.22 -3.49 4.33 5.12 -1.26 -4.95 116.66 117.62 2pa4 n ARG 211 Ca 0.00 -2.24 -0.41 0.00 -1.93 0.00 0.00 57.85 53.28 2pa4 n ARG 211 Cb 0.00 -1.30 -0.10 0.00 -1.16 0.00 0.00 32.46 29.89 2pa4 n ARG 211 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2pa4 s LEU 212 N -2.28 4.52 -0.02 0.55 1.43 -1.26 0.97 118.68 122.59 2pa4 s LEU 212 Ca 0.24 -0.39 0.03 0.00 -1.03 0.00 0.00 54.13 52.99 2pa4 s LEU 212 Cb 0.21 -2.20 -0.03 0.00 0.03 0.00 0.00 46.19 44.21 2pa4 s LEU 212 CO 0.02 -0.27 -0.11 0.00 0.23 0.00 0.00 176.35 176.22 2pa4 s ALA 213 N 1.80 2.83 -0.09 4.21 0.00 0.41 -1.87 121.76 129.05 2pa4 s ALA 213 Ca 0.08 -1.01 -0.30 0.00 0.00 0.00 0.00 51.96 50.73 2pa4 s ALA 213 Cb -0.17 -1.04 -0.03 0.00 0.00 0.00 0.00 23.12 21.89 2pa4 s ALA 213 CO 0.11 0.58 1.22 0.00 0.00 0.00 0.00 175.76 177.67 2pa4 s ALA 214 N -0.86 3.55 0.69 0.00 0.00 0.33 -1.34 121.76 124.12 2pa4 s ALA 214 Ca 0.14 0.56 -0.05 0.00 0.00 0.00 0.00 51.96 52.61 2pa4 s ALA 214 Cb -0.11 -3.55 0.07 0.00 0.00 0.00 0.00 23.12 19.53 2pa4 s ALA 214 CO 0.04 -0.90 0.98 0.95 0.00 0.00 0.00 175.76 176.82 2pa4 s THR 215 N 2.65 2.33 -1.04 0.00 -4.23 -0.73 -4.58 115.64 110.04 2pa4 s THR 215 Ca 0.55 -0.39 -0.08 0.00 -1.18 0.00 0.00 61.69 60.60 2pa4 s THR 215 Cb -0.24 -2.94 -0.09 0.00 1.34 0.00 0.00 72.50 70.57 2pa4 s THR 215 CO 0.19 0.00 3.03 0.61 -0.54 0.00 0.00 174.62 177.91 2pa4 n GLY 216 N -2.83 4.09 2.82 3.99 0.00 -1.26 -4.67 105.19 107.34 2pa4 n GLY 216 Ca 0.09 -1.55 -0.22 0.00 0.00 0.00 0.00 46.02 44.34 2pa4 n GLY 216 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pa4 s ARG 217 N 0.94 0.76 -0.05 1.61 1.81 -1.26 -0.89 118.95 121.87 2pa4 s ARG 217 Ca 0.66 0.01 -0.07 0.00 -1.72 0.00 0.00 55.73 54.61 2pa4 s ARG 217 Cb 0.24 -0.98 0.01 0.00 -0.45 0.00 0.00 34.95 33.77 2pa4 s ARG 217 CO -0.06 -0.23 0.17 0.71 -0.68 0.00 0.00 175.30 175.21 2pa4 s TYR 218 N 1.59 -0.14 -0.36 -0.53 1.51 -0.59 -2.66 117.35 116.17 2pa4 s TYR 218 Ca -0.00 0.34 0.02 0.00 -1.01 0.00 0.00 57.07 56.42 2pa4 s TYR 218 Cb -0.13 0.04 0.11 0.00 -0.11 0.00 0.00 41.96 41.87 2pa4 s TYR 218 CO -0.04 -0.14 0.11 -0.51 -1.11 0.00 0.00 175.55 173.86 2pa4 s LEU 219 N -0.24 3.51 0.08 -1.29 1.43 0.17 -1.27 118.68 121.06 2pa4 s LEU 219 Ca -0.03 -2.10 0.04 0.00 -1.03 0.00 0.00 54.13 51.01 2pa4 s LEU 219 Cb -0.03 -1.27 -0.04 0.00 0.03 0.00 0.00 46.19 44.89 2pa4 s LEU 219 CO 0.01 -0.37 0.00 -0.76 0.23 0.00 0.00 176.35 175.46 2pa4 s LEU 220 N 0.99 3.48 0.25 1.79 1.43 0.34 -0.27 118.68 126.69 2pa4 s LEU 220 Ca 0.12 -0.15 -0.30 0.00 -1.03 0.00 0.00 54.13 52.77 2pa4 s LEU 220 Cb -0.20 -2.18 -0.09 0.00 0.03 0.00 0.00 46.19 43.75 2pa4 s LEU 220 CO -0.13 0.19 1.12 -0.62 0.23 0.00 0.00 176.35 177.14 2pa4 s ASP 221 N -2.21 7.23 0.27 2.29 -1.08 -1.26 0.28 116.67 122.18 2pa4 s ASP 221 Ca 0.25 2.25 0.10 0.00 -0.52 0.00 0.00 52.55 54.63 2pa4 s ASP 221 Cb -0.12 -2.62 0.53 0.00 -1.46 0.00 0.00 42.92 39.26 2pa4 s ASP 221 CO 0.17 -0.20 1.16 0.54 0.52 0.00 0.00 175.17 177.37 2pa4 n ARG 222 N 1.55 0.07 0.33 4.34 1.74 -1.25 -0.40 116.66 123.04 2pa4 n ARG 222 Ca 0.00 0.51 0.21 0.00 -0.77 0.00 0.00 57.85 57.81 2pa4 n ARG 222 Cb 0.45 -2.04 1.16 0.00 -1.02 0.00 0.00 32.46 31.00 2pa4 n ARG 222 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2pa4 h LYS 223 N 0.00 0.00 -0.98 5.56 1.57 -1.93 -2.69 116.57 118.10 2pa4 h LYS 223 Ca 0.00 0.00 0.21 0.00 -1.87 0.00 0.00 60.65 58.99 2pa4 h LYS 223 Cb 0.64 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 32.84 2pa4 h LYS 223 CO 0.00 0.00 0.57 0.97 -0.57 0.00 0.00 179.45 180.43 2pa4 h ILE 224 N 0.00 0.62 -0.90 1.86 6.09 -1.09 -0.85 117.51 123.24 2pa4 h ILE 224 Ca -0.00 -0.22 -0.01 0.00 -1.37 0.00 0.00 64.86 63.26 2pa4 h ILE 224 Cb 0.01 -0.09 -0.04 0.00 0.47 0.00 0.00 36.82 37.17 2pa4 h ILE 224 CO 0.00 0.12 0.54 -0.26 -3.07 0.00 0.00 178.15 175.48 2pa4 h PHE 225 N 0.65 1.19 -0.27 2.19 0.04 -1.73 0.53 116.94 119.53 2pa4 h PHE 225 Ca 0.60 -0.01 -0.17 0.00 2.80 0.00 0.00 57.97 61.19 2pa4 h PHE 225 Cb 1.02 -0.39 -0.00 0.00 2.20 0.00 0.00 35.95 38.78 2pa4 h PHE 225 CO -0.02 0.79 -0.51 -0.44 -0.60 0.00 0.00 178.31 177.52 2pa4 h ASP 226 N 1.24 0.86 -0.62 2.17 3.32 -1.39 -2.50 116.42 119.49 2pa4 h ASP 226 Ca 0.32 -0.44 -0.07 0.00 0.02 0.00 0.00 57.03 56.86 2pa4 h ASP 226 Cb -0.05 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.23 2pa4 h ASP 226 CO -0.06 1.21 0.13 0.00 -1.72 0.00 0.00 179.24 178.80 2pa4 h ALA 227 N 0.81 1.01 0.00 3.45 0.00 -0.75 -2.41 119.26 121.36 2pa4 h ALA 227 Ca 0.02 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 2pa4 h ALA 227 Cb 1.10 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 2pa4 h ALA 227 CO 0.11 0.64 -0.15 -0.07 0.00 0.00 0.00 179.25 179.78 2pa4 h LEU 228 N 0.98 0.00 0.00 0.00 3.38 0.26 -1.96 115.31 117.97 2pa4 h LEU 228 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2pa4 h LEU 228 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2pa4 h LEU 228 CO 0.01 0.15 -0.26 0.54 0.09 0.00 0.00 178.44 178.97 2pa4 n ARG 229 N -3.66 0.17 -0.05 1.13 1.74 -0.93 -3.85 116.66 111.21 2pa4 n ARG 229 Ca -0.02 0.10 -0.04 0.00 -0.77 0.00 0.00 57.85 57.12 2pa4 n ARG 229 Cb 0.27 -1.66 -0.14 0.00 -1.02 0.00 0.00 32.46 29.91 2pa4 n ARG 229 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2pa4 n ARG 230 N -1.93 0.66 -2.16 5.56 1.74 -0.78 -4.98 116.66 114.77 2pa4 n ARG 230 Ca 0.05 0.05 -0.35 0.00 -0.77 0.00 0.00 57.85 56.83 2pa4 n ARG 230 Cb 0.40 -1.62 0.01 0.00 -1.02 0.00 0.00 32.46 30.23 2pa4 n ARG 230 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2pa4 s ILE 231 N -2.77 2.97 0.34 0.55 1.09 -0.96 -5.07 121.20 117.35 2pa4 s ILE 231 Ca -0.07 0.60 0.08 0.00 -1.10 0.00 0.00 60.65 60.16 2pa4 s ILE 231 Cb 0.08 -3.24 -0.04 0.00 -1.06 0.00 0.00 42.46 38.20 2pa4 s ILE 231 CO 0.84 -0.13 0.14 0.42 -0.10 0.00 0.00 174.94 176.11 2pa4 s THR 232 N -1.71 2.99 0.37 2.92 -4.23 -1.26 -5.02 115.64 109.70 2pa4 s THR 232 Ca 0.74 -1.70 -0.28 0.00 -1.18 0.00 0.00 61.69 59.27 2pa4 s THR 232 Cb -0.26 -2.97 -0.11 0.00 1.34 0.00 0.00 72.50 70.49 2pa4 s THR 232 CO 0.29 -0.18 1.50 -2.84 -0.54 0.00 0.00 174.62 172.86 2pa4 s PRO 233 N -3.85 4.10 0.00 3.99 0.02 -1.26 -4.78 135.00 133.23 2pa4 s PRO 233 Ca 0.38 2.59 0.00 0.00 0.02 0.00 0.00 61.00 63.98 2pa4 s PRO 233 Cb -0.02 -2.97 0.00 0.00 0.02 0.00 0.00 34.50 31.53 2pa4 s PRO 233 CO 0.23 -0.55 0.00 0.41 -0.33 0.00 0.00 177.00 176.75 2pa4 n GLY 234 N 0.54 1.71 3.59 0.52 0.00 0.51 -4.86 105.19 107.19 2pa4 n GLY 234 Ca 0.01 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.53 2pa4 n GLY 234 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pa4 n ALA 235 N -3.00 -0.82 -1.36 4.61 0.00 -1.26 -1.13 120.51 117.55 2pa4 n ALA 235 Ca 0.00 0.49 -0.12 0.00 0.00 0.00 0.00 53.44 53.81 2pa4 n ALA 235 Cb 0.00 -2.07 -0.05 0.00 0.00 0.00 0.00 19.45 17.33 2pa4 n ALA 235 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pa4 n GLY 236 N 2.34 1.19 2.20 0.00 0.00 -1.26 -2.15 105.19 107.52 2pa4 n GLY 236 Ca 0.17 -0.03 -0.03 0.00 0.00 0.00 0.00 46.02 46.14 2pa4 n GLY 236 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pa4 n GLY 237 N 0.02 0.57 3.89 -0.02 0.00 -0.29 -5.02 105.19 104.36 2pa4 n GLY 237 Ca -0.12 -0.40 -0.27 0.00 0.00 0.00 0.00 46.02 45.23 2pa4 n GLY 237 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pa4 s GLU 238 N -1.44 3.24 -0.68 1.61 2.02 -0.91 -4.69 118.70 117.85 2pa4 s GLU 238 Ca 0.00 -0.67 -0.22 0.00 0.02 0.00 0.00 54.97 54.10 2pa4 s GLU 238 Cb 0.00 -2.86 0.08 0.00 0.10 0.00 0.00 34.13 31.45 2pa4 s GLU 238 CO 0.00 0.52 0.97 -0.51 0.02 0.00 0.00 175.26 176.26 2pa4 s LEU 239 N -3.09 4.48 -0.11 1.80 1.43 -0.02 -0.37 118.68 122.80 2pa4 s LEU 239 Ca 0.33 -1.11 -0.30 0.00 -1.03 0.00 0.00 54.13 52.02 2pa4 s LEU 239 Cb -0.11 -2.41 -0.01 0.00 0.03 0.00 0.00 46.19 43.68 2pa4 s LEU 239 CO 0.27 -1.39 1.06 -1.10 0.23 0.00 0.00 176.35 175.41 2pa4 s GLN 240 N 3.89 4.38 0.38 1.70 -1.52 -1.26 -0.28 119.66 126.95 2pa4 s GLN 240 Ca 0.23 1.45 0.14 0.00 -1.95 0.00 0.00 55.36 55.23 2pa4 s GLN 240 Cb -0.16 -3.56 0.98 0.00 -0.22 0.00 0.00 33.01 30.04 2pa4 s GLN 240 CO 0.08 -0.39 1.81 1.25 -0.25 0.00 0.00 175.29 177.78 2pa4 h LEU 241 N 8.28 0.54 -0.60 2.90 5.85 -1.88 -1.41 115.31 128.99 2pa4 h LEU 241 Ca -0.30 0.07 0.09 0.00 0.84 0.00 0.00 57.88 58.58 2pa4 h LEU 241 Cb 1.14 -0.03 -0.07 0.00 0.37 0.00 0.00 40.66 42.07 2pa4 h LEU 241 CO 0.88 0.18 0.22 0.74 -0.34 0.00 0.00 178.44 180.13 2pa4 h THR 242 N 0.52 0.77 0.00 1.05 2.02 -1.97 -1.75 112.91 113.56 2pa4 h THR 242 Ca 0.54 -0.14 -0.04 0.00 0.77 0.00 0.00 66.41 67.54 2pa4 h THR 242 Cb 1.17 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 67.91 2pa4 h THR 242 CO -0.27 0.07 -0.19 0.44 0.37 0.00 0.00 175.52 175.94 2pa4 h ASP 243 N 0.40 0.00 0.39 4.18 3.32 -1.58 0.24 116.42 123.38 2pa4 h ASP 243 Ca 0.30 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 57.04 2pa4 h ASP 243 Cb 0.37 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.94 2pa4 h ASP 243 CO -0.30 0.19 -1.46 0.00 -1.72 0.00 0.00 179.24 175.94 2pa4 h ALA 244 N 1.81 0.03 -0.43 3.45 0.00 -1.37 -2.32 119.26 120.44 2pa4 h ALA 244 Ca -0.00 -0.95 -0.05 0.00 0.00 0.00 0.00 54.91 53.90 2pa4 h ALA 244 Cb 0.46 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2pa4 h ALA 244 CO 0.02 0.90 0.06 0.82 0.00 0.00 0.00 179.25 181.06 2pa4 h ILE 245 N 0.11 1.25 -0.62 0.00 2.04 -0.87 -1.59 117.51 117.82 2pa4 h ILE 245 Ca -0.23 -0.91 -0.02 0.00 1.00 0.00 0.00 64.86 64.70 2pa4 h ILE 245 Cb 2.08 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 39.13 2pa4 h ILE 245 CO 0.22 0.32 0.32 -0.78 0.00 0.00 0.00 178.15 178.23 2pa4 h ASP 246 N 0.57 0.77 0.08 1.72 3.58 -1.03 -0.71 116.42 121.40 2pa4 h ASP 246 Ca 0.13 -0.07 -0.00 0.00 0.42 0.00 0.00 57.03 57.51 2pa4 h ASP 246 Cb 0.40 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 41.25 2pa4 h ASP 246 CO 0.01 0.64 -0.04 0.25 -2.88 0.00 0.00 179.24 177.23 2pa4 h LEU 247 N 0.87 -0.09 -1.52 2.28 5.85 -0.91 -0.68 115.31 121.11 2pa4 h LEU 247 Ca 0.22 -0.03 0.07 0.00 0.84 0.00 0.00 57.88 58.98 2pa4 h LEU 247 Cb 0.06 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 2pa4 h LEU 247 CO -0.03 -0.03 0.41 -0.07 -0.34 0.00 0.00 178.44 178.38 2pa4 h LEU 248 N -0.14 0.51 -0.14 2.25 3.38 -0.73 -2.04 115.31 118.40 2pa4 h LEU 248 Ca -0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2pa4 h LEU 248 Cb 0.12 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 2pa4 h LEU 248 CO 0.02 0.33 -0.01 0.40 0.09 0.00 0.00 178.44 179.26 2pa4 h ILE 249 N 0.58 1.27 0.00 1.22 2.04 -0.15 -1.22 117.51 121.24 2pa4 h ILE 249 Ca 0.27 -0.88 0.00 0.00 1.00 0.00 0.00 64.86 65.25 2pa4 h ILE 249 Cb 0.33 1.58 0.00 0.00 -0.74 0.00 0.00 36.82 37.99 2pa4 h ILE 249 CO -0.08 0.26 0.00 0.44 0.00 0.00 0.00 178.15 178.77 2pa4 h ASP 250 N -0.03 0.00 0.82 1.72 3.32 -0.47 -0.62 116.42 121.15 2pa4 h ASP 250 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 2pa4 h ASP 250 Cb 0.40 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.95 2pa4 h ASP 250 CO 0.01 0.00 -0.58 -0.62 -1.72 0.00 0.00 179.24 176.33 2pa4 n GLU 251 N -2.36 0.23 0.00 3.56 1.02 -0.92 -4.94 120.64 117.24 2pa4 n GLU 251 Ca -0.00 0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 2pa4 n GLU 251 Cb 0.12 -1.65 0.00 0.00 -0.02 0.00 0.00 31.44 29.89 2pa4 n GLU 251 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2pa4 n GLY 252 N 1.37 0.71 3.76 0.62 0.00 -0.24 -5.08 105.19 106.32 2pa4 n GLY 252 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 2pa4 n GLY 252 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2pa4 s HIS 253 N -2.00 2.83 0.18 1.61 3.76 -0.49 -4.94 115.29 116.23 2pa4 s HIS 253 Ca 0.00 0.98 -0.31 0.00 -0.15 0.00 0.00 55.06 55.58 2pa4 s HIS 253 Cb 0.00 -3.95 -0.09 0.00 1.11 0.00 0.00 32.58 29.65 2pa4 s HIS 253 CO 0.00 -3.06 1.41 -1.25 -0.85 0.00 0.00 174.74 170.99 2pa4 s PRO 254 N -0.86 4.31 -0.11 8.40 0.04 -1.26 -4.43 135.00 141.08 2pa4 s PRO 254 Ca 0.59 2.17 -0.03 0.00 0.04 0.00 0.00 61.00 63.77 2pa4 s PRO 254 Cb -0.45 -3.18 0.05 0.00 0.04 0.00 0.00 34.50 30.95 2pa4 s PRO 254 CO 0.50 -0.41 0.06 0.08 0.04 0.00 0.00 177.00 177.27 2pa4 s VAL 255 N 0.56 0.01 0.29 -0.36 1.01 -1.26 -0.98 120.40 119.66 2pa4 s VAL 255 Ca 0.62 0.05 0.10 0.00 0.00 0.00 0.00 61.98 62.75 2pa4 s VAL 255 Cb -0.39 -0.46 -0.05 0.00 0.00 0.00 0.00 36.38 35.48 2pa4 s VAL 255 CO 0.36 -0.05 -0.08 -1.00 0.00 0.00 0.00 175.10 174.33 2pa4 s HIS 256 N 2.11 2.51 0.11 5.22 3.76 -0.71 -1.72 115.29 126.56 2pa4 s HIS 256 Ca 0.03 -0.31 0.10 0.00 -0.15 0.00 0.00 55.06 54.73 2pa4 s HIS 256 Cb -0.14 -1.17 -0.04 0.00 1.11 0.00 0.00 32.58 32.34 2pa4 s HIS 256 CO -0.06 0.63 -0.23 0.96 -0.85 0.00 0.00 174.74 175.19 2pa4 s ILE 257 N -2.44 2.51 -0.24 0.60 -4.36 0.51 -1.38 121.20 116.41 2pa4 s ILE 257 Ca 0.32 -1.59 -0.06 0.00 -0.26 0.00 0.00 60.65 59.05 2pa4 s ILE 257 Cb -0.05 -2.12 -0.02 0.00 1.25 0.00 0.00 42.46 41.53 2pa4 s ILE 257 CO 0.18 0.13 0.03 -0.69 0.24 0.00 0.00 174.94 174.83 2pa4 s VAL 258 N -1.06 3.97 -0.39 8.37 1.01 -0.35 -1.50 120.40 130.45 2pa4 s VAL 258 Ca 0.15 -0.30 -0.22 0.00 0.00 0.00 0.00 61.98 61.62 2pa4 s VAL 258 Cb -0.10 -2.84 0.01 0.00 0.00 0.00 0.00 36.38 33.44 2pa4 s VAL 258 CO 0.07 0.36 0.71 -0.63 0.00 0.00 0.00 175.10 175.61 2pa4 s ILE 259 N 1.56 4.79 0.00 2.22 1.01 0.16 -1.04 121.20 129.90 2pa4 s ILE 259 Ca 0.06 0.58 -0.30 0.00 0.00 0.00 0.00 60.65 60.99 2pa4 s ILE 259 Cb -0.15 -4.18 -0.03 0.00 0.01 0.00 0.00 42.46 38.11 2pa4 s ILE 259 CO 0.01 -0.46 1.03 -2.28 0.00 0.00 0.00 174.94 173.23 2pa4 s HIS 260 N 2.95 3.60 -0.06 3.97 5.65 -0.24 -4.89 115.29 126.27 2pa4 s HIS 260 Ca 0.27 1.61 0.12 0.00 0.25 0.00 0.00 55.06 57.31 2pa4 s HIS 260 Cb -0.14 -3.18 -0.23 0.00 -1.18 0.00 0.00 32.58 27.85 2pa4 s HIS 260 CO 0.17 -0.28 0.60 1.04 -0.65 0.00 0.00 174.74 175.63 2pa4 n GLN 261 N 4.02 0.64 0.00 2.88 1.13 -1.26 -4.70 117.38 120.09 2pa4 n GLN 261 Ca 0.07 0.28 0.00 0.00 -1.94 0.00 0.00 57.00 55.40 2pa4 n GLN 261 Cb 0.50 -1.77 0.00 0.00 0.11 0.00 0.00 30.24 29.08 2pa4 n GLN 261 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2pa4 n GLY 262 N 1.60 -0.36 3.75 1.08 0.00 -1.26 -5.04 105.19 104.95 2pa4 n GLY 262 Ca -0.19 -1.60 -0.41 0.00 0.00 0.00 0.00 46.02 43.82 2pa4 n GLY 262 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pa4 s LYS 263 N 0.00 4.36 -0.01 1.61 1.02 -1.05 -4.94 119.74 120.73 2pa4 s LYS 263 Ca 0.00 2.16 0.01 0.00 0.02 0.00 0.00 55.97 58.16 2pa4 s LYS 263 Cb 0.00 -3.13 0.01 0.00 -0.52 0.00 0.00 37.83 34.19 2pa4 s LYS 263 CO 0.00 -0.24 -0.03 0.50 -0.92 0.00 0.00 175.35 174.66 2pa4 s ARG 264 N -0.87 0.36 -0.13 1.68 3.00 -1.26 -1.24 118.95 120.49 2pa4 s ARG 264 Ca 0.54 -0.08 -0.00 0.00 -1.00 0.00 0.00 55.73 55.18 2pa4 s ARG 264 Cb -0.39 -0.40 0.03 0.00 0.00 0.00 0.00 34.95 34.19 2pa4 s ARG 264 CO 0.45 0.01 -0.07 -1.01 0.00 0.00 0.00 175.30 174.68 2pa4 s HIS 265 N 0.30 1.53 -0.62 5.12 3.76 -0.11 -4.99 115.29 120.27 2pa4 s HIS 265 Ca -0.03 -0.83 -0.21 0.00 -0.15 0.00 0.00 55.06 53.83 2pa4 s HIS 265 Cb -0.06 -1.25 0.08 0.00 1.11 0.00 0.00 32.58 32.46 2pa4 s HIS 265 CO -0.01 -0.54 0.86 0.34 -0.85 0.00 0.00 174.74 174.54 2pa4 s ASP 266 N 1.69 6.19 0.00 1.40 2.15 -1.26 0.43 116.67 127.28 2pa4 s ASP 266 Ca 0.04 -1.06 0.20 0.00 0.43 0.00 0.00 52.55 52.16 2pa4 s ASP 266 Cb -0.13 -2.38 1.15 0.00 -0.30 0.00 0.00 42.92 41.26 2pa4 s ASP 266 CO -0.08 -1.29 1.75 0.18 -0.17 0.00 0.00 175.17 175.56 2pa4 n LEU 267 N 7.18 0.16 0.17 -1.34 4.77 0.80 -3.08 117.00 125.66 2pa4 n LEU 267 Ca -0.05 -0.06 0.13 0.00 -0.03 0.00 0.00 56.01 56.00 2pa4 n LEU 267 Cb 0.45 -0.01 0.48 0.00 -2.33 0.00 0.00 43.42 42.01 2pa4 n LEU 267 CO 0.62 0.03 0.89 1.23 -1.33 0.00 0.00 177.39 178.83 2pa4 h GLY 268 N 5.34 0.00 -3.37 -0.72 0.00 -1.89 -3.42 103.07 99.01 2pa4 h GLY 268 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.23 2pa4 h GLY 268 CO 0.00 0.00 -0.44 0.54 0.00 0.00 0.00 176.54 176.64 2pa4 s ASN 269 N -4.89 0.18 0.32 0.19 2.20 -1.26 -4.79 114.94 106.89 2pa4 s ASN 269 Ca 0.05 -0.66 0.08 0.00 -0.94 0.00 0.00 52.86 51.40 2pa4 s ASN 269 Cb 0.09 0.30 0.81 0.00 -2.00 0.00 0.00 41.25 40.46 2pa4 s ASN 269 CO 0.51 -0.66 1.78 -0.65 -2.94 0.00 0.00 177.10 175.13 2pa4 h PRO 270 N 3.01 0.67 -0.07 3.55 0.11 -1.89 -0.45 132.00 136.93 2pa4 h PRO 270 Ca -0.34 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 65.75 2pa4 h PRO 270 Cb 1.19 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 2pa4 h PRO 270 CO 0.56 0.44 0.06 0.78 -0.21 0.00 0.00 178.00 179.63 2pa4 h GLY 271 N 0.69 0.00 0.00 -0.55 0.00 -1.97 -0.85 103.07 100.39 2pa4 h GLY 271 Ca 0.58 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.64 2pa4 h GLY 271 CO -0.37 0.00 -2.00 0.61 0.00 0.00 0.00 176.54 174.78 2pa4 n GLY 272 N -1.44 -0.60 0.07 4.60 0.00 -0.84 -4.34 105.19 102.64 2pa4 n GLY 272 Ca -0.01 -0.21 -0.13 0.00 0.00 0.00 0.00 46.02 45.67 2pa4 n GLY 272 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2pa4 h TYR 273 N 0.00 -0.05 0.04 1.61 3.20 -0.94 -2.61 116.97 118.21 2pa4 h TYR 273 Ca -0.40 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.47 2pa4 h TYR 273 Cb 1.83 0.02 0.00 0.00 1.54 0.00 0.00 36.73 40.11 2pa4 h TYR 273 CO 0.01 0.20 -0.02 0.82 -1.64 0.00 0.00 178.16 177.52 2pa4 h ILE 274 N -0.29 0.97 -0.07 1.81 2.04 -1.39 -1.50 117.51 119.08 2pa4 h ILE 274 Ca -0.01 -0.01 0.02 0.00 1.00 0.00 0.00 64.86 65.87 2pa4 h ILE 274 Cb 0.27 0.97 -0.00 0.00 -0.74 0.00 0.00 36.82 37.32 2pa4 h ILE 274 CO 0.01 0.00 0.05 -0.65 0.00 0.00 0.00 178.15 177.56 2pa4 h PRO 275 N -0.05 0.00 -0.46 2.37 0.11 -1.75 -0.80 132.00 131.42 2pa4 h PRO 275 Ca -0.00 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.03 2pa4 h PRO 275 Cb 0.04 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.13 2pa4 h PRO 275 CO 0.01 0.00 -0.02 0.00 -0.21 0.00 0.00 178.00 177.78 2pa4 h ALA 276 N 1.96 0.62 -0.65 -0.75 0.00 -1.00 0.22 119.26 119.66 2pa4 h ALA 276 Ca 0.03 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.59 2pa4 h ALA 276 Cb 0.13 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 2pa4 h ALA 276 CO -0.00 0.43 0.13 0.00 0.00 0.00 0.00 179.25 179.82 2pa4 h VAL 278 N 0.98 1.05 -0.16 0.00 2.07 -0.88 0.64 116.25 119.96 2pa4 h VAL 278 Ca 0.20 -0.52 0.03 0.00 0.82 0.00 0.00 66.70 67.23 2pa4 h VAL 278 Cb 0.40 1.38 -0.06 0.00 -1.52 0.00 0.00 31.29 31.49 2pa4 h VAL 278 CO 0.01 0.13 -0.45 -0.78 0.02 0.00 0.00 177.57 176.49 2pa4 h ASP 279 N -0.36 -1.46 -0.01 0.57 3.58 -0.41 0.93 116.42 119.27 2pa4 h ASP 279 Ca -0.01 0.18 -0.06 0.00 0.42 0.00 0.00 57.03 57.55 2pa4 h ASP 279 Cb 0.30 0.58 -0.01 0.00 1.72 0.00 0.00 39.33 41.91 2pa4 h ASP 279 CO 0.02 -0.39 -0.16 -0.26 -2.88 0.00 0.00 179.24 175.58 2pa4 h PHE 280 N -0.45 0.34 -0.79 0.28 -1.00 -1.26 -2.88 116.94 111.18 2pa4 h PHE 280 Ca 0.03 -0.05 -0.00 0.00 2.81 0.00 0.00 57.97 60.76 2pa4 h PHE 280 Cb 0.55 -0.09 -0.04 0.00 3.61 0.00 0.00 35.95 39.98 2pa4 h PHE 280 CO -0.59 0.47 0.49 0.78 -1.61 0.00 0.00 178.31 177.85 2pa4 h GLY 281 N 0.86 1.14 2.00 -1.45 0.00 0.18 -2.83 103.07 102.97 2pa4 h GLY 281 Ca 0.06 -0.47 -0.04 0.00 0.00 0.00 0.00 47.33 46.89 2pa4 h GLY 281 CO 0.03 0.45 -0.17 1.41 0.00 0.00 0.00 176.54 178.26 2pa4 h LEU 282 N 1.08 0.00 -0.33 3.11 3.38 -0.65 -2.76 115.31 119.15 2pa4 h LEU 282 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 2pa4 h LEU 282 Cb -0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.69 2pa4 h LEU 282 CO -0.06 0.17 -0.36 -1.20 0.09 0.00 0.00 178.44 177.08 2pa4 n SER 283 N -4.18 0.87 -4.70 -0.43 7.64 -1.08 -4.51 113.62 107.22 2pa4 n SER 283 Ca -0.02 -0.69 -0.42 0.00 1.01 0.00 0.00 58.87 58.75 2pa4 n SER 283 Cb 0.24 0.20 -0.03 0.00 -1.01 0.00 0.00 64.21 63.61 2pa4 n SER 283 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 2pa4 s HIS 284 N -2.68 2.98 0.56 1.43 5.04 -1.05 -4.93 115.29 116.65 2pa4 s HIS 284 Ca 0.19 0.79 0.24 0.00 -1.54 0.00 0.00 55.06 54.75 2pa4 s HIS 284 Cb 0.19 -3.74 1.59 0.00 0.04 0.00 0.00 32.58 30.66 2pa4 s HIS 284 CO 0.59 -2.71 2.19 -1.00 -2.34 0.00 0.00 174.74 171.47 2pa4 h PRO 285 N 7.35 0.00 0.01 2.88 0.13 -1.92 -0.80 132.00 139.66 2pa4 h PRO 285 Ca -0.41 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.39 2pa4 h PRO 285 Cb 1.20 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.28 2pa4 h PRO 285 CO 0.89 0.00 -1.82 0.28 -0.23 0.00 0.00 178.00 177.12 2pa4 n VAL 286 N -4.12 1.56 0.51 1.56 0.31 -1.26 -4.63 118.33 112.25 2pa4 n VAL 286 Ca -0.02 -0.24 0.12 0.00 -0.01 0.00 0.00 64.34 64.19 2pa4 n VAL 286 Cb 0.13 -1.92 0.11 0.00 -0.91 0.00 0.00 33.84 31.25 2pa4 n VAL 286 CO 0.00 0.00 0.00 1.88 -1.32 0.00 0.00 176.83 177.39 2pa4 h TYR 287 N -0.83 0.00 0.00 3.52 -1.99 -1.84 -3.43 116.97 112.40 2pa4 h TYR 287 Ca -0.49 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.24 2pa4 h TYR 287 Cb 1.52 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.25 2pa4 h TYR 287 CO 0.03 0.00 0.00 0.41 -0.00 0.00 0.00 178.16 178.60 2pa4 n GLY 288 N 1.32 -3.29 0.39 3.88 0.00 -0.31 -1.04 105.19 106.14 2pa4 n GLY 288 Ca 0.02 0.67 -0.07 0.00 0.00 0.00 0.00 46.02 46.65 2pa4 n GLY 288 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pa4 h ALA 289 N -1.51 -0.21 -0.68 4.61 0.00 -1.82 -2.45 119.26 117.20 2pa4 h ALA 289 Ca 0.00 0.15 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 2pa4 h ALA 289 Cb 0.00 0.98 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 2pa4 h ALA 289 CO 0.00 -0.78 0.20 1.96 0.00 0.00 0.00 179.25 180.63 2pa4 h GLN 290 N -0.15 1.05 -0.29 0.00 7.50 -1.84 -2.96 115.11 118.43 2pa4 h GLN 290 Ca 0.22 -0.22 0.00 0.00 0.50 0.00 0.00 58.65 59.15 2pa4 h GLN 290 Cb 0.56 -0.15 -0.01 0.00 0.05 0.00 0.00 27.48 27.92 2pa4 h GLN 290 CO -0.77 0.91 0.18 -0.07 -1.50 0.00 0.00 178.83 177.58 2pa4 h LEU 291 N 1.01 0.33 -0.12 1.46 3.38 -0.70 0.59 115.31 121.26 2pa4 h LEU 291 Ca 0.22 -0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.20 2pa4 h LEU 291 Cb 0.30 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.92 2pa4 h LEU 291 CO -0.01 0.26 -0.18 0.50 0.09 0.00 0.00 178.44 179.11 2pa4 h LYS 292 N 0.38 -0.22 0.05 1.13 3.64 -1.35 0.29 116.57 120.48 2pa4 h LYS 292 Ca 0.10 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.51 2pa4 h LYS 292 Cb -0.02 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 2pa4 h LYS 292 CO -0.02 -0.15 -0.09 -0.44 -2.27 0.00 0.00 179.45 176.48 2pa4 h ASP 293 N -0.23 -0.26 -0.24 4.20 3.32 -1.35 -0.33 116.42 121.53 2pa4 h ASP 293 Ca 0.09 0.03 0.05 0.00 0.02 0.00 0.00 57.03 57.23 2pa4 h ASP 293 Cb 0.36 0.10 -0.05 0.00 0.22 0.00 0.00 39.33 39.97 2pa4 h ASP 293 CO -0.25 -0.14 -0.06 0.00 -1.72 0.00 0.00 179.24 177.06 2pa4 h ALA 294 N 0.75 0.16 -0.46 3.45 0.00 -0.38 -1.88 119.26 120.89 2pa4 h ALA 294 Ca 0.02 0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 2pa4 h ALA 294 Cb 0.21 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2pa4 h ALA 294 CO -0.06 -0.47 -0.13 0.82 0.00 0.00 0.00 179.25 179.40 2pa4 h ILE 295 N -0.00 1.26 -0.57 0.00 2.04 -0.29 -2.17 117.51 117.79 2pa4 h ILE 295 Ca 0.12 -1.24 -0.03 0.00 1.00 0.00 0.00 64.86 64.71 2pa4 h ILE 295 Cb 0.18 1.05 -0.03 0.00 -0.74 0.00 0.00 36.82 37.28 2pa4 h ILE 295 CO -0.25 0.42 0.23 0.11 0.00 0.00 0.00 178.15 178.67 2pa4 h LYS 296 N 0.76 0.84 -0.81 2.37 1.57 -0.81 -0.02 116.57 120.48 2pa4 h LYS 296 Ca 0.12 -0.15 -0.04 0.00 -1.87 0.00 0.00 60.65 58.71 2pa4 h LYS 296 Cb 0.65 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.78 2pa4 h LYS 296 CO 0.05 0.72 0.35 1.96 -0.57 0.00 0.00 179.45 181.96 2pa4 h GLN 297 N 0.78 1.18 -0.48 3.15 4.20 -1.16 -1.55 115.11 121.23 2pa4 h GLN 297 Ca 0.19 -0.19 -0.10 0.00 0.06 0.00 0.00 58.65 58.61 2pa4 h GLN 297 Cb 0.19 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.75 2pa4 h GLN 297 CO -0.02 0.93 -0.08 0.82 -0.67 0.00 0.00 178.83 179.82 2pa4 h ILE 298 N 1.16 1.27 0.01 2.54 2.04 -1.14 0.56 117.51 123.95 2pa4 h ILE 298 Ca 0.27 -1.20 0.00 0.00 1.00 0.00 0.00 64.86 64.94 2pa4 h ILE 298 Cb 0.17 1.06 -0.00 0.00 -0.74 0.00 0.00 36.82 37.30 2pa4 h ILE 298 CO -0.03 0.41 -0.02 -0.07 0.00 0.00 0.00 178.15 178.45 2pa4 h LEU 299 N 0.76 -0.05 -0.24 1.44 3.38 -0.76 -1.54 115.31 118.29 2pa4 h LEU 299 Ca 0.13 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.13 2pa4 h LEU 299 Cb 0.62 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 2pa4 h LEU 299 CO 0.04 -0.03 0.06 0.00 0.09 0.00 0.00 178.44 178.60 2pa4 h ALA 300 N 0.95 0.25 -0.80 1.53 0.00 -1.17 -1.11 119.26 118.92 2pa4 h ALA 300 Ca 0.00 0.04 0.13 0.00 0.00 0.00 0.00 54.91 55.08 2pa4 h ALA 300 Cb 0.04 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 17.78 2pa4 h ALA 300 CO -0.01 -0.36 0.40 0.93 0.00 0.00 0.00 179.25 180.21 2pa4 h GLU 301 N 0.16 0.58 -0.33 0.00 5.08 -0.59 -1.00 114.58 118.49 2pa4 h GLU 301 Ca 0.11 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.33 2pa4 h GLU 301 Cb 0.09 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 2pa4 h GLU 301 CO -0.13 0.39 -0.17 0.45 -1.00 0.00 0.00 179.01 178.55 2pa4 h HIS 302 N 0.60 0.81 -0.33 4.33 3.86 -0.86 -1.21 115.15 122.34 2pa4 h HIS 302 Ca 0.42 -0.20 0.06 0.00 -1.16 0.00 0.00 60.37 59.49 2pa4 h HIS 302 Cb 0.56 -0.18 -0.05 0.00 1.06 0.00 0.00 27.41 28.79 2pa4 h HIS 302 CO -0.11 0.91 0.00 0.93 0.86 0.00 0.00 177.93 180.53 2pa4 h GLU 303 N 0.47 0.09 0.03 2.45 5.08 -0.25 0.15 114.58 122.59 2pa4 h GLU 303 Ca 0.07 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.44 2pa4 h GLU 303 Cb 0.70 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 2pa4 h GLU 303 CO 0.05 0.06 -0.10 0.00 -1.00 0.00 0.00 179.01 178.02 2pa4 h ALA 304 N 1.29 -0.13 -0.62 3.43 0.00 -1.12 -2.17 119.26 119.93 2pa4 h ALA 304 Ca 0.16 -0.00 0.13 0.00 0.00 0.00 0.00 54.91 55.20 2pa4 h ALA 304 Cb 0.22 0.16 -0.10 0.00 0.00 0.00 0.00 17.79 18.07 2pa4 h ALA 304 CO -0.27 -0.60 0.05 0.00 0.00 0.00 0.00 179.25 178.43 2pa4 h ALA 305 N 0.77 0.67 -0.56 0.00 0.00 -0.33 -1.85 119.26 117.95 2pa4 h ALA 305 Ca 0.03 0.17 0.08 0.00 0.00 0.00 0.00 54.91 55.19 2pa4 h ALA 305 Cb 0.21 0.28 -0.06 0.00 0.00 0.00 0.00 17.79 18.22 2pa4 h ALA 305 CO -0.08 -0.37 0.22 0.93 0.00 0.00 0.00 179.25 179.95 2pa4 h GLU 306 N 0.16 0.40 -0.40 0.00 5.08 -0.13 -1.94 114.58 117.75 2pa4 h GLU 306 Ca 0.33 -0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 58.55 2pa4 h GLU 306 Cb 0.53 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 2pa4 h GLU 306 CO -0.50 0.27 -0.20 0.00 -1.00 0.00 0.00 179.01 177.58 2pa4 h ARG 307 N 0.41 0.78 -0.00 2.33 3.08 -0.85 -3.51 114.38 116.62 2pa4 h ARG 307 Ca 0.27 -0.31 0.00 0.00 0.07 0.00 0.00 59.98 60.02 2pa4 h ARG 307 Cb 0.30 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.30 2pa4 h ARG 307 CO -0.26 0.92 0.00 -0.89 -1.07 0.00 0.00 179.97 178.67