#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a13 h TYR 9 N 0.00 0.00 0.00 9.51 0.05 -1.89 -3.11 116.97 121.53 3a13 h TYR 9 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3a13 h TYR 9 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 3a13 h TYR 9 CO 0.00 0.39 0.00 -0.44 -1.05 0.00 0.00 178.16 177.06 3a13 h ASP 10 N 0.00 0.00 0.40 3.88 5.19 -1.89 -1.39 116.42 122.61 3a13 h ASP 10 Ca -0.00 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.38 3a13 h ASP 10 Cb 0.87 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.38 3a13 h ASP 10 CO 0.05 0.00 -0.11 0.22 -3.12 0.00 0.00 179.24 176.28 3a13 h TYR 11 N 0.00 0.00 -0.11 4.55 3.20 -1.94 -2.98 116.97 119.70 3a13 h TYR 11 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3a13 h TYR 11 Cb 0.26 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.53 3a13 h TYR 11 CO 0.00 0.11 0.00 0.66 -1.64 0.00 0.00 178.16 177.29 3a13 n TYR 12 N -3.58 0.13 -3.91 -3.82 4.01 -0.52 -4.76 117.16 104.71 3a13 n TYR 12 Ca -0.02 -0.06 -0.36 0.00 -0.16 0.00 0.00 57.90 57.30 3a13 n TYR 12 Cb 0.24 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.15 3a13 n TYR 12 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3a13 s VAL 13 N -1.87 4.35 -0.38 -0.72 1.01 -1.13 -0.60 120.40 121.06 3a13 s VAL 13 Ca 0.35 -0.17 0.03 0.00 0.00 0.00 0.00 61.98 62.19 3a13 s VAL 13 Cb 0.19 -3.00 0.16 0.00 0.00 0.00 0.00 36.38 33.73 3a13 s VAL 13 CO 0.30 0.39 0.38 -0.62 0.00 0.00 0.00 175.10 175.55 3a13 s ASP 14 N 1.15 1.21 0.04 3.32 -1.08 0.04 -4.91 116.67 116.45 3a13 s ASP 14 Ca 0.04 -1.84 0.16 0.00 -0.52 0.00 0.00 52.55 50.39 3a13 s ASP 14 Cb -0.14 0.43 0.70 0.00 -1.46 0.00 0.00 42.92 42.44 3a13 s ASP 14 CO 0.03 -0.24 1.52 0.29 0.52 0.00 0.00 175.17 177.29 3a13 n LYS 15 N 3.96 0.03 0.14 4.34 5.02 -1.25 -2.04 118.16 128.35 3a13 n LYS 15 Ca 0.14 0.27 0.05 0.00 -2.02 0.00 0.00 58.31 56.75 3a13 n LYS 15 Cb 0.45 -1.56 0.04 0.00 -0.02 0.00 0.00 35.03 33.94 3a13 n LYS 15 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 3a13 h GLY 16 N 2.55 0.00 -4.49 0.72 0.00 -1.91 -3.46 103.07 96.47 3a13 h GLY 16 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.81 3a13 h GLY 16 CO 0.00 0.00 0.92 -0.47 0.00 0.00 0.00 176.54 176.99 3a13 s TYR 17 N -3.04 2.91 -0.21 5.60 5.04 -0.87 -5.00 117.35 121.78 3a13 s TYR 17 Ca 0.03 0.61 -0.04 0.00 -2.44 0.00 0.00 57.07 55.23 3a13 s TYR 17 Cb 0.07 -4.04 -0.02 0.00 0.35 0.00 0.00 41.96 38.33 3a13 s TYR 17 CO 0.74 -3.72 -0.03 -1.21 -1.34 0.00 0.00 175.55 170.00 3a13 s GLU 18 N 0.49 3.50 0.48 4.97 2.02 -1.26 -4.90 118.70 124.00 3a13 s GLU 18 Ca 0.69 -0.58 -0.21 0.00 0.02 0.00 0.00 54.97 54.89 3a13 s GLU 18 Cb -0.47 -3.03 -0.07 0.00 0.10 0.00 0.00 34.13 30.66 3a13 s GLU 18 CO 0.38 -0.07 1.10 -1.25 0.02 0.00 0.00 175.26 175.43 3a13 s PRO 19 N 1.19 3.71 -0.09 0.39 0.04 -1.26 -5.01 135.00 133.97 3a13 s PRO 19 Ca 0.03 1.55 -0.20 0.00 0.04 0.00 0.00 61.00 62.42 3a13 s PRO 19 Cb -0.14 -2.21 -0.04 0.00 0.04 0.00 0.00 34.50 32.15 3a13 s PRO 19 CO 0.00 -0.54 0.57 0.45 0.04 0.00 0.00 177.00 177.52 3a13 s SER 20 N -1.71 6.83 0.45 6.66 0.15 -1.26 -4.96 113.70 119.85 3a13 s SER 20 Ca 0.67 0.99 0.21 0.00 0.70 0.00 0.00 55.95 58.52 3a13 s SER 20 Cb -0.22 -2.34 1.05 0.00 -1.71 0.00 0.00 66.02 62.80 3a13 s SER 20 CO 0.26 -0.03 1.92 0.11 1.20 0.00 0.00 173.24 176.71 3a13 h LYS 21 N 6.62 0.00 0.00 5.44 1.57 -1.95 -1.28 116.57 126.97 3a13 h LYS 21 Ca -0.41 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 3a13 h LYS 21 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.50 3a13 h LYS 21 CO 0.75 0.24 -1.29 1.63 -0.57 0.00 0.00 179.45 180.21 3a13 n LYS 22 N -3.78 0.42 -0.00 3.15 4.76 -1.26 -4.48 118.16 116.96 3a13 n LYS 22 Ca -0.01 -0.04 0.00 0.00 -2.87 0.00 0.00 58.31 55.39 3a13 n LYS 22 Cb 0.34 -1.60 -0.01 0.00 -1.84 0.00 0.00 35.03 31.92 3a13 n LYS 22 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3a13 n ARG 23 N -2.12 0.82 -3.95 1.97 1.74 -1.14 -4.60 116.66 109.37 3a13 n ARG 23 Ca 0.00 -0.01 -0.35 0.00 -0.77 0.00 0.00 57.85 56.72 3a13 n ARG 23 Cb 0.48 -1.03 -0.09 0.00 -1.02 0.00 0.00 32.46 30.81 3a13 n ARG 23 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3a13 s ASP 24 N -2.34 5.86 0.17 0.55 1.01 -0.49 -0.64 116.67 120.78 3a13 s ASP 24 Ca -0.00 0.19 -0.25 0.00 0.71 0.00 0.00 52.55 53.19 3a13 s ASP 24 Cb 0.01 -1.97 -0.08 0.00 1.01 0.00 0.00 42.92 41.89 3a13 s ASP 24 CO 0.05 0.23 0.78 -0.63 0.21 0.00 0.00 175.17 175.81 3a13 s ILE 25 N 0.03 4.37 -0.12 0.77 1.01 0.30 -4.13 121.20 123.43 3a13 s ILE 25 Ca 0.07 1.70 0.01 0.00 0.00 0.00 0.00 60.65 62.43 3a13 s ILE 25 Cb -0.12 -4.14 0.02 0.00 0.01 0.00 0.00 42.46 38.23 3a13 s ILE 25 CO 0.00 0.52 -0.14 -0.63 0.00 0.00 0.00 174.94 174.69 3a13 s ILE 26 N -1.16 1.46 -0.19 2.92 1.01 -1.08 0.11 121.20 124.26 3a13 s ILE 26 Ca 0.36 -0.60 -0.11 0.00 0.00 0.00 0.00 60.65 60.30 3a13 s ILE 26 Cb -0.23 -1.35 -0.05 0.00 0.01 0.00 0.00 42.46 40.84 3a13 s ILE 26 CO 0.26 0.43 0.18 0.00 0.00 0.00 0.00 174.94 175.82 3a13 s ALA 27 N 1.16 3.65 -0.33 9.38 0.00 0.24 -0.67 121.76 135.19 3a13 s ALA 27 Ca -0.03 -0.65 -0.11 0.00 0.00 0.00 0.00 51.96 51.17 3a13 s ALA 27 Cb -0.14 -2.26 -0.01 0.00 0.00 0.00 0.00 23.12 20.71 3a13 s ALA 27 CO -0.04 0.09 0.20 0.08 0.00 0.00 0.00 175.76 176.09 3a13 s VAL 28 N 0.49 4.93 0.03 0.00 1.01 -0.40 -1.38 120.40 125.08 3a13 s VAL 28 Ca 0.10 -0.33 0.06 0.00 0.00 0.00 0.00 61.98 61.82 3a13 s VAL 28 Cb -0.12 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 32.70 3a13 s VAL 28 CO 0.00 0.03 -0.15 -0.36 0.00 0.00 0.00 175.10 174.62 3a13 s PHE 29 N 1.67 2.63 -0.43 5.22 0.08 -0.34 0.91 117.98 127.72 3a13 s PHE 29 Ca 0.05 -0.21 -0.17 0.00 0.12 0.00 0.00 56.93 56.72 3a13 s PHE 29 Cb -0.17 -1.50 0.03 0.00 -0.57 0.00 0.00 43.02 40.81 3a13 s PHE 29 CO 0.08 0.28 0.45 0.50 -0.10 0.00 0.00 175.22 176.43 3a13 s ARG 30 N -1.43 3.10 -0.20 0.44 3.52 0.61 -0.55 118.95 124.44 3a13 s ARG 30 Ca 0.15 -0.78 -0.06 0.00 -0.13 0.00 0.00 55.73 54.91 3a13 s ARG 30 Cb -0.11 -3.98 -0.03 0.00 -1.56 0.00 0.00 34.95 29.27 3a13 s ARG 30 CO 0.06 -0.89 0.04 0.08 -0.81 0.00 0.00 175.30 173.78 3a13 s VAL 31 N 2.17 4.38 -0.38 7.11 1.01 0.28 -2.24 120.40 132.72 3a13 s VAL 31 Ca 0.12 -0.17 -0.04 0.00 0.00 0.00 0.00 61.98 61.90 3a13 s VAL 31 Cb -0.17 -2.99 0.09 0.00 0.00 0.00 0.00 36.38 33.30 3a13 s VAL 31 CO 0.13 0.42 0.15 -0.89 0.00 0.00 0.00 175.10 174.92 3a13 s THR 32 N 0.85 3.36 0.55 3.92 2.01 -0.57 -0.67 115.64 125.08 3a13 s THR 32 Ca 0.02 -1.75 -0.21 0.00 0.31 0.00 0.00 61.69 60.06 3a13 s THR 32 Cb -0.14 -3.15 -0.05 0.00 0.01 0.00 0.00 72.50 69.16 3a13 s THR 32 CO 0.02 -0.49 1.25 -2.65 -0.69 0.00 0.00 174.62 172.06 3a13 n PRO 33 N 4.65 1.49 -0.85 4.92 -0.02 -1.26 0.47 135.00 144.41 3a13 n PRO 33 Ca -0.07 0.55 -0.29 0.00 -2.02 0.00 0.00 63.50 61.68 3a13 n PRO 33 Cb 0.42 -2.44 0.20 0.00 -0.02 0.00 0.00 33.50 31.66 3a13 n PRO 33 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3a13 s ALA 34 N -1.33 0.59 0.12 3.55 0.00 -0.00 -4.10 121.76 120.59 3a13 s ALA 34 Ca 0.72 -0.04 -0.31 0.00 0.00 0.00 0.00 51.96 52.34 3a13 s ALA 34 Cb -0.43 -3.24 -0.07 0.00 0.00 0.00 0.00 23.12 19.37 3a13 s ALA 34 CO 0.49 -3.12 1.28 -2.00 0.00 0.00 0.00 175.76 172.41 3a13 s GLU 35 N -4.70 4.40 0.00 0.00 2.12 -1.26 -2.65 118.70 116.61 3a13 s GLU 35 Ca 0.66 1.94 0.00 0.00 0.36 0.00 0.00 54.97 57.93 3a13 s GLU 35 Cb -0.22 -3.27 0.00 0.00 0.26 0.00 0.00 34.13 30.90 3a13 s GLU 35 CO 0.60 -0.29 0.00 0.41 -0.54 0.00 0.00 175.26 175.44 3a13 n GLY 36 N 3.01 0.70 3.25 -1.50 0.00 -1.26 -5.08 105.19 104.31 3a13 n GLY 36 Ca 0.09 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.84 3a13 n GLY 36 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3a13 s TYR 37 N -2.40 1.87 0.65 1.61 2.02 -1.08 -5.14 117.35 114.87 3a13 s TYR 37 Ca 0.00 -0.37 -0.08 0.00 -0.37 0.00 0.00 57.07 56.24 3a13 s TYR 37 Cb 0.00 -1.13 0.02 0.00 -0.40 0.00 0.00 41.96 40.45 3a13 s TYR 37 CO 0.00 0.07 0.99 0.95 -1.57 0.00 0.00 175.55 175.99 3a13 s THR 38 N -0.74 3.41 0.31 -0.71 -4.23 -1.26 -4.72 115.64 107.71 3a13 s THR 38 Ca 0.08 0.16 0.01 0.00 -1.18 0.00 0.00 61.69 60.75 3a13 s THR 38 Cb -0.09 -3.41 0.27 0.00 1.34 0.00 0.00 72.50 70.62 3a13 s THR 38 CO 0.01 -0.47 1.95 -0.29 -0.54 0.00 0.00 174.62 175.29 3a13 h ILE 39 N -0.42 1.13 -0.59 2.99 6.09 -1.98 -1.72 117.51 123.00 3a13 h ILE 39 Ca -0.45 -0.35 -0.09 0.00 -1.37 0.00 0.00 64.86 62.60 3a13 h ILE 39 Cb 1.26 0.03 -0.02 0.00 0.47 0.00 0.00 36.82 38.56 3a13 h ILE 39 CO 0.62 0.18 0.01 -0.33 -3.07 0.00 0.00 178.15 175.56 3a13 h GLU 40 N 1.01 1.02 -0.47 2.19 3.07 -1.98 0.33 114.58 119.75 3a13 h GLU 40 Ca 0.33 -0.31 -0.08 0.00 -0.50 0.00 0.00 59.36 58.80 3a13 h GLU 40 Cb 0.05 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 27.84 3a13 h GLU 40 CO -0.10 0.99 -0.03 1.96 -1.40 0.00 0.00 179.01 180.44 3a13 h GLN 41 N 0.94 0.79 0.09 2.33 4.20 -1.83 0.34 115.11 121.96 3a13 h GLN 41 Ca 0.17 -0.23 -0.00 0.00 0.06 0.00 0.00 58.65 58.65 3a13 h GLN 41 Cb 0.53 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.23 3a13 h GLN 41 CO 0.03 0.82 -0.04 0.00 -0.67 0.00 0.00 178.83 178.96 3a13 h ALA 42 N 1.23 -0.12 -0.75 3.87 0.00 -0.62 -2.46 119.26 120.41 3a13 h ALA 42 Ca 0.14 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3a13 h ALA 42 Cb 0.49 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 3a13 h ALA 42 CO 0.02 -0.31 0.44 0.00 0.00 0.00 0.00 179.25 179.41 3a13 h ALA 43 N 0.19 1.36 -0.66 0.00 0.00 -0.36 -1.35 119.26 118.45 3a13 h ALA 43 Ca -0.01 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 3a13 h ALA 43 Cb 0.52 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3a13 h ALA 43 CO 0.02 0.54 0.20 0.78 0.00 0.00 0.00 179.25 180.80 3a13 h GLY 44 N 1.07 1.08 1.13 0.00 0.00 -0.94 -0.10 103.07 105.30 3a13 h GLY 44 Ca 0.27 -0.61 -0.09 0.00 0.00 0.00 0.00 47.33 46.90 3a13 h GLY 44 CO -0.05 0.58 0.03 0.00 0.00 0.00 0.00 176.54 177.10 3a13 h ALA 45 N 1.25 0.90 -0.14 3.60 0.00 -0.85 -0.59 119.26 123.42 3a13 h ALA 45 Ca 0.21 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 3a13 h ALA 45 Cb 0.28 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3a13 h ALA 45 CO -0.01 0.66 -0.01 0.28 0.00 0.00 0.00 179.25 180.17 3a13 h VAL 46 N 0.96 1.27 -0.68 0.00 2.07 -0.75 -0.91 116.25 118.21 3a13 h VAL 46 Ca 0.18 -0.89 0.03 0.00 0.82 0.00 0.00 66.70 66.83 3a13 h VAL 46 Cb 0.51 1.58 -0.04 0.00 -1.52 0.00 0.00 31.29 31.82 3a13 h VAL 46 CO 0.02 0.26 0.43 0.00 0.02 0.00 0.00 177.57 178.30 3a13 h ALA 47 N 0.74 0.88 0.14 1.67 0.00 -1.01 -2.02 119.26 119.66 3a13 h ALA 47 Ca 0.04 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3a13 h ALA 47 Cb 0.40 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3a13 h ALA 47 CO 0.01 0.21 -0.07 0.00 0.00 0.00 0.00 179.25 179.40 3a13 h ALA 48 N 1.28 -0.19 0.00 0.00 0.00 -1.00 -2.93 119.26 116.42 3a13 h ALA 48 Ca 0.27 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3a13 h ALA 48 Cb -0.00 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3a13 h ALA 48 CO -0.10 -0.51 0.00 0.39 0.00 0.00 0.00 179.25 179.03 3a13 n GLU 49 N -5.09 0.02 -0.29 0.00 -0.58 -0.36 -1.16 120.64 113.19 3a13 n GLU 49 Ca -0.09 0.11 0.10 0.00 -0.42 0.00 0.00 57.16 56.86 3a13 n GLU 49 Cb 0.17 -1.53 0.26 0.00 -0.57 0.00 0.00 31.44 29.76 3a13 n GLU 49 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 3a13 n SER 50 N -1.57 3.57 0.00 1.62 3.41 -0.76 -4.80 113.62 115.09 3a13 n SER 50 Ca 0.06 -1.99 0.00 0.00 -0.26 0.00 0.00 58.87 56.68 3a13 n SER 50 Cb 0.28 -0.38 0.00 0.00 -0.26 0.00 0.00 64.21 63.85 3a13 n SER 50 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3a13 n SER 51 N 1.28 0.00 -0.06 4.04 3.41 -0.93 -4.52 113.62 116.83 3a13 n SER 51 Ca 0.20 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.82 3a13 n SER 51 Cb 0.56 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.51 3a13 n SER 51 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3a13 n THR 52 N 0.00 0.00 -3.31 6.66 -2.24 -1.13 -5.03 114.28 109.22 3a13 n THR 52 Ca 0.00 -0.47 -0.21 0.00 -2.27 0.00 0.00 64.05 61.10 3a13 n THR 52 Cb 0.00 1.03 0.03 0.00 -2.10 0.00 0.00 70.33 69.30 3a13 n THR 52 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3a13 s GLY 53 N -0.73 1.95 0.35 3.38 0.00 -0.31 -5.05 107.32 106.91 3a13 s GLY 53 Ca 0.02 -1.84 -0.08 0.00 0.00 0.00 0.00 44.72 42.82 3a13 s GLY 53 CO 0.07 -1.75 0.60 -1.08 0.00 0.00 0.00 173.10 170.95 3a13 s THR 54 N -2.66 0.00 0.23 0.90 -1.32 -1.26 -4.51 115.64 107.02 3a13 s THR 54 Ca 0.52 -1.35 0.36 0.00 -1.21 0.00 0.00 61.69 60.02 3a13 s THR 54 Cb -0.05 -2.69 0.40 0.00 -1.51 0.00 0.00 72.50 68.65 3a13 s THR 54 CO 0.33 0.00 2.07 4.11 -2.21 0.00 0.00 174.62 178.91 3a13 h TRP 55 N 2.07 0.00 -2.98 9.09 5.08 -2.00 -3.45 115.95 123.77 3a13 h TRP 55 Ca -0.29 0.00 -0.43 0.00 1.08 0.00 0.00 58.89 59.24 3a13 h TRP 55 Cb 1.24 0.00 -0.14 0.00 -3.00 0.00 0.00 29.16 27.26 3a13 h TRP 55 CO 1.36 0.01 -0.68 -0.08 -1.28 0.00 0.00 178.44 177.77 3a13 s THR 56 N -3.78 1.40 0.57 0.12 -1.32 -1.26 -4.94 115.64 106.44 3a13 s THR 56 Ca -0.00 -2.10 -0.18 0.00 -1.21 0.00 0.00 61.69 58.20 3a13 s THR 56 Cb 0.10 -2.30 -0.04 0.00 -1.51 0.00 0.00 72.50 68.75 3a13 s THR 56 CO 0.52 -0.39 1.09 0.42 -2.21 0.00 0.00 174.62 174.05 3a13 s THR 57 N -3.18 3.43 0.28 5.08 -4.23 -1.26 -5.05 115.64 110.71 3a13 s THR 57 Ca 0.27 0.78 0.09 0.00 -1.18 0.00 0.00 61.69 61.65 3a13 s THR 57 Cb 0.04 -3.29 -0.06 0.00 1.34 0.00 0.00 72.50 70.54 3a13 s THR 57 CO 0.09 -0.30 -0.13 -0.76 -0.54 0.00 0.00 174.62 172.98 3a13 s LEU 58 N -4.17 2.60 0.34 4.79 1.43 -1.26 -5.15 118.68 117.26 3a13 s LEU 58 Ca 0.68 -1.11 -0.15 0.00 -1.03 0.00 0.00 54.13 52.53 3a13 s LEU 58 Cb -0.20 -0.90 -0.09 0.00 0.03 0.00 0.00 46.19 45.04 3a13 s LEU 58 CO 0.32 -0.15 0.75 -0.31 0.23 0.00 0.00 176.35 177.19 3a13 s TYR 59 N -2.73 3.38 -0.58 0.29 1.51 -1.26 -5.02 117.35 112.94 3a13 s TYR 59 Ca 0.29 1.21 -0.27 0.00 -1.01 0.00 0.00 57.07 57.29 3a13 s TYR 59 Cb -0.00 -2.54 0.03 0.00 -0.11 0.00 0.00 41.96 39.34 3a13 s TYR 59 CO 0.13 0.05 1.15 -2.14 -1.11 0.00 0.00 175.55 173.64 3a13 s PRO 60 N -3.12 3.47 0.00 -1.71 0.02 -1.26 -4.75 135.00 127.65 3a13 s PRO 60 Ca 0.54 0.13 0.00 0.00 0.02 0.00 0.00 61.00 61.69 3a13 s PRO 60 Cb -0.10 -4.03 0.00 0.00 0.02 0.00 0.00 34.50 30.39 3a13 s PRO 60 CO 0.19 -1.67 0.73 -2.67 -0.33 0.00 0.00 177.00 173.25 3a13 n TRP 61 N 8.30 0.00 -4.25 6.54 4.27 -1.26 -5.05 117.44 125.99 3a13 n TRP 61 Ca 0.07 -0.25 -0.14 0.00 -3.89 0.00 0.00 57.50 53.29 3a13 n TRP 61 Cb 0.49 -0.03 -0.10 0.00 -1.36 0.00 0.00 31.31 30.31 3a13 n TRP 61 CO 0.00 0.00 0.00 1.52 -2.29 0.00 0.00 177.69 176.92 3a13 s TYR 62 N -0.50 1.25 -0.09 -2.67 -0.85 -1.26 -5.10 117.35 108.13 3a13 s TYR 62 Ca 0.00 -0.86 -0.30 0.00 -0.52 0.00 0.00 57.07 55.39 3a13 s TYR 62 Cb 0.00 -0.68 -0.04 0.00 0.38 0.00 0.00 41.96 41.62 3a13 s TYR 62 CO 0.00 -0.03 1.52 -2.00 -1.52 0.00 0.00 175.55 173.52 3a13 s GLU 63 N -3.81 4.20 0.18 -3.49 2.12 -1.26 -4.91 118.70 111.73 3a13 s GLU 63 Ca 0.20 2.01 -0.10 0.00 0.36 0.00 0.00 54.97 57.44 3a13 s GLU 63 Cb 0.04 -3.91 0.08 0.00 0.26 0.00 0.00 34.13 30.61 3a13 s GLU 63 CO 0.02 -0.80 1.68 0.37 -0.54 0.00 0.00 175.26 175.99 3a13 h GLN 64 N 9.07 1.05 -0.82 4.30 5.75 -1.99 -2.77 115.11 129.70 3a13 h GLN 64 Ca -0.35 -0.27 0.02 0.00 -0.15 0.00 0.00 58.65 57.89 3a13 h GLN 64 Cb 1.15 -0.13 -0.04 0.00 1.07 0.00 0.00 27.48 29.53 3a13 h GLN 64 CO 0.96 0.97 0.54 1.49 -2.65 0.00 0.00 178.83 180.14 3a13 h GLU 65 N 0.97 1.05 -0.12 1.69 4.57 -1.99 -0.73 114.58 120.01 3a13 h GLU 65 Ca 0.20 -0.06 -0.05 0.00 -1.18 0.00 0.00 59.36 58.26 3a13 h GLU 65 Cb 0.41 -0.24 -0.00 0.00 -0.16 0.00 0.00 28.75 28.76 3a13 h GLU 65 CO 0.01 0.70 -0.12 -0.09 -1.18 0.00 0.00 179.01 178.33 3a13 h ARG 66 N 1.08 0.29 -0.36 1.92 2.43 -1.93 -1.85 114.38 115.96 3a13 h ARG 66 Ca 0.31 -0.15 0.07 0.00 -0.81 0.00 0.00 59.98 59.40 3a13 h ARG 66 Cb -0.08 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 29.41 3a13 h ARG 66 CO -0.07 0.69 -0.09 2.35 -1.51 0.00 0.00 179.97 181.33 3a13 h TRP 67 N -0.10 -0.20 -0.46 2.20 7.01 -1.24 -2.37 115.95 120.79 3a13 h TRP 67 Ca 0.02 0.03 -0.09 0.00 2.11 0.00 0.00 58.89 60.96 3a13 h TRP 67 Cb 0.63 0.14 -0.02 0.00 -2.10 0.00 0.00 29.16 27.82 3a13 h TRP 67 CO 0.08 -0.16 -0.07 0.00 -2.79 0.00 0.00 178.44 175.50 3a13 h ALA 68 N 1.36 1.01 0.00 2.65 0.00 -1.13 -2.59 119.26 120.55 3a13 h ALA 68 Ca 0.18 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 3a13 h ALA 68 Cb 0.27 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3a13 h ALA 68 CO -0.38 0.60 -0.17 0.22 0.00 0.00 0.00 179.25 179.52 3a13 h ASP 69 N 0.74 0.00 -0.03 0.00 3.58 -0.92 -2.90 116.42 116.89 3a13 h ASP 69 Ca 0.13 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.58 3a13 h ASP 69 Cb 0.55 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.60 3a13 h ASP 69 CO 0.03 0.17 -0.02 0.18 -2.88 0.00 0.00 179.24 176.72 3a13 n LEU 70 N -3.69 2.88 -4.76 2.28 4.77 -0.93 -4.88 117.00 112.67 3a13 n LEU 70 Ca -0.02 -0.96 -0.40 0.00 -0.03 0.00 0.00 56.01 54.60 3a13 n LEU 70 Cb 0.29 -0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.33 3a13 n LEU 70 CO 0.32 0.48 0.75 -0.44 -1.33 0.00 0.00 177.39 177.17 3a13 s SER 71 N -2.02 7.35 0.65 -1.43 0.01 -1.09 -4.76 113.70 112.41 3a13 s SER 71 Ca 0.28 2.17 -0.11 0.00 1.31 0.00 0.00 55.95 59.60 3a13 s SER 71 Cb 0.20 -2.62 -0.02 0.00 0.21 0.00 0.00 66.02 63.79 3a13 s SER 71 CO 0.32 -0.08 1.04 0.00 0.41 0.00 0.00 173.24 174.93 3a13 s ALA 72 N -1.20 2.96 -0.09 1.44 0.00 -1.26 -4.78 121.76 118.84 3a13 s ALA 72 Ca 0.44 -0.07 -0.00 0.00 0.00 0.00 0.00 51.96 52.33 3a13 s ALA 72 Cb -0.30 -3.10 0.02 0.00 0.00 0.00 0.00 23.12 19.75 3a13 s ALA 72 CO 0.38 -0.88 -0.06 0.15 0.00 0.00 0.00 175.76 175.35 3a13 s LYS 73 N -5.16 1.25 -0.45 0.00 -0.14 -0.69 -4.76 119.74 109.79 3a13 s LYS 73 Ca 0.56 -0.17 -0.29 0.00 -1.36 0.00 0.00 55.97 54.71 3a13 s LYS 73 Cb -0.12 -1.32 0.03 0.00 -1.68 0.00 0.00 37.83 34.74 3a13 s LYS 73 CO 0.54 -0.21 1.17 0.00 -0.76 0.00 0.00 175.35 176.09 3a13 s ALA 74 N 1.51 3.18 0.00 5.17 0.00 0.23 -0.48 121.76 131.38 3a13 s ALA 74 Ca -0.00 -0.38 0.00 0.00 0.00 0.00 0.00 51.96 51.58 3a13 s ALA 74 Cb -0.13 -3.88 0.00 0.00 0.00 0.00 0.00 23.12 19.11 3a13 s ALA 74 CO -0.05 -2.18 0.00 2.48 0.00 0.00 0.00 175.76 176.01 3a13 n TYR 75 N 7.86 0.00 -3.74 0.00 0.18 -0.38 -0.78 117.16 120.29 3a13 n TYR 75 Ca 0.13 0.00 -0.15 0.00 1.88 0.00 0.00 57.90 59.75 3a13 n TYR 75 Cb 0.49 0.00 -0.16 0.00 -0.38 0.00 0.00 39.34 39.29 3a13 n TYR 75 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 3a13 s ASP 76 N -0.95 0.20 -0.11 9.48 2.15 -1.19 -4.43 116.67 121.83 3a13 s ASP 76 Ca 0.00 0.15 0.02 0.00 0.43 0.00 0.00 52.55 53.15 3a13 s ASP 76 Cb 0.00 0.03 0.01 0.00 -0.30 0.00 0.00 42.92 42.67 3a13 s ASP 76 CO 0.00 -0.16 -0.15 -0.36 -0.17 0.00 0.00 175.17 174.33 3a13 s PHE 77 N 1.35 1.96 -0.18 -5.34 0.08 -1.26 -1.10 117.98 113.49 3a13 s PHE 77 Ca -0.06 -0.92 0.01 0.00 0.12 0.00 0.00 56.93 56.07 3a13 s PHE 77 Cb -0.12 -1.42 0.04 0.00 -0.57 0.00 0.00 43.02 40.94 3a13 s PHE 77 CO -0.04 -0.48 -0.11 -1.58 -0.10 0.00 0.00 175.22 172.91 3a13 s HIS 78 N 1.00 2.28 -0.17 0.36 5.65 -0.36 -4.99 115.29 119.05 3a13 s HIS 78 Ca -0.06 -1.44 -0.29 0.00 0.25 0.00 0.00 55.06 53.51 3a13 s HIS 78 Cb -0.15 -1.60 -0.03 0.00 -1.18 0.00 0.00 32.58 29.63 3a13 s HIS 78 CO -0.02 -0.71 1.51 0.34 -0.65 0.00 0.00 174.74 175.21 3a13 s ASP 79 N 1.44 6.62 0.34 9.88 2.15 -1.26 -1.46 116.67 134.38 3a13 s ASP 79 Ca 0.01 1.75 0.18 0.00 0.43 0.00 0.00 52.55 54.92 3a13 s ASP 79 Cb -0.15 -2.53 0.23 0.00 -0.30 0.00 0.00 42.92 40.16 3a13 s ASP 79 CO -0.09 -1.03 1.53 0.24 -0.17 0.00 0.00 175.17 175.65 3a13 h MET 80 N 9.65 0.00 0.00 4.34 2.86 -1.65 -3.48 114.93 126.65 3a13 h MET 80 Ca -0.33 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.31 3a13 h MET 80 Cb 1.14 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.80 3a13 h MET 80 CO 0.98 0.34 0.00 0.41 1.06 0.00 0.00 176.91 179.71 3a13 n GLY 81 N 1.08 3.44 0.95 8.32 0.00 -1.26 -4.87 105.19 112.85 3a13 n GLY 81 Ca 0.02 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.14 3a13 n GLY 81 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3a13 n ASP 82 N 0.00 3.15 0.00 1.61 5.68 -1.26 -4.90 116.55 120.82 3a13 n ASP 82 Ca 0.00 -1.91 0.00 0.00 -0.50 0.00 0.00 54.79 52.38 3a13 n ASP 82 Cb 0.00 -0.22 0.00 0.00 -1.14 0.00 0.00 41.12 39.76 3a13 n ASP 82 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3a13 n GLY 83 N 1.16 0.60 3.59 6.12 0.00 -1.26 -5.09 105.19 110.31 3a13 n GLY 83 Ca 0.16 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 3a13 n GLY 83 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3a13 s SER 84 N -1.99 4.21 0.03 1.61 1.04 -1.26 -4.33 113.70 112.99 3a13 s SER 84 Ca 0.00 -0.80 0.03 0.00 0.48 0.00 0.00 55.95 55.66 3a13 s SER 84 Cb 0.00 -0.64 -0.02 0.00 0.10 0.00 0.00 66.02 65.46 3a13 s SER 84 CO 0.00 -0.01 -0.09 0.26 0.98 0.00 0.00 173.24 174.38 3a13 s TRP 85 N -2.40 0.77 -0.40 5.02 0.52 0.15 -1.54 118.94 121.06 3a13 s TRP 85 Ca 0.31 -0.34 -0.24 0.00 0.02 0.00 0.00 56.10 55.86 3a13 s TRP 85 Cb -0.05 -0.46 0.02 0.00 -1.15 0.00 0.00 33.47 31.82 3a13 s TRP 85 CO 0.18 -0.03 0.85 0.42 0.02 0.00 0.00 176.95 178.39 3a13 s ILE 86 N -0.85 4.63 -0.15 2.03 -1.09 -0.53 0.10 121.20 125.33 3a13 s ILE 86 Ca -0.03 0.83 -0.03 0.00 -2.23 0.00 0.00 60.65 59.19 3a13 s ILE 86 Cb -0.07 -4.31 -0.03 0.00 -1.58 0.00 0.00 42.46 36.48 3a13 s ILE 86 CO 0.00 -0.60 -0.05 -0.69 -1.23 0.00 0.00 174.94 172.38 3a13 s VAL 87 N 3.36 3.80 -0.16 2.92 1.01 0.29 -1.23 120.40 130.40 3a13 s VAL 87 Ca 0.34 -0.39 -0.08 0.00 0.00 0.00 0.00 61.98 61.84 3a13 s VAL 87 Cb -0.12 -2.66 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 3a13 s VAL 87 CO 0.20 0.50 0.13 -0.13 0.00 0.00 0.00 175.10 175.80 3a13 s ARG 88 N 0.38 3.81 -0.05 2.72 0.52 -0.26 -1.20 118.95 124.87 3a13 s ARG 88 Ca -0.05 -0.18 0.03 0.00 -0.52 0.00 0.00 55.73 55.01 3a13 s ARG 88 Cb -0.14 -3.30 0.01 0.00 0.52 0.00 0.00 34.95 32.03 3a13 s ARG 88 CO 0.03 0.54 -0.12 0.42 0.02 0.00 0.00 175.30 176.19 3a13 s ILE 89 N -0.33 1.10 -0.11 1.52 1.01 -0.48 -1.25 121.20 122.66 3a13 s ILE 89 Ca 0.11 -0.50 -0.02 0.00 0.00 0.00 0.00 60.65 60.25 3a13 s ILE 89 Cb -0.12 -0.98 -0.03 0.00 0.01 0.00 0.00 42.46 41.34 3a13 s ILE 89 CO 0.01 0.34 -0.04 0.00 0.00 0.00 0.00 174.94 175.24 3a13 s ALA 90 N 0.36 3.04 -0.08 9.38 0.00 0.37 -0.59 121.76 134.25 3a13 s ALA 90 Ca -0.08 -0.84 0.02 0.00 0.00 0.00 0.00 51.96 51.06 3a13 s ALA 90 Cb -0.13 -1.41 0.01 0.00 0.00 0.00 0.00 23.12 21.59 3a13 s ALA 90 CO 0.02 0.42 -0.14 0.71 0.00 0.00 0.00 175.76 176.77 3a13 s TYR 91 N -0.31 1.71 0.34 0.00 2.02 0.29 -1.70 117.35 119.70 3a13 s TYR 91 Ca 0.05 -0.69 -0.28 0.00 -0.37 0.00 0.00 57.07 55.78 3a13 s TYR 91 Cb -0.12 -1.23 -0.10 0.00 -0.40 0.00 0.00 41.96 40.10 3a13 s TYR 91 CO 0.02 -0.34 1.29 -1.25 -1.57 0.00 0.00 175.55 173.70 3a13 s PRO 92 N 0.70 4.31 0.58 -1.71 0.04 -1.26 0.11 135.00 137.77 3a13 s PRO 92 Ca -0.13 2.17 0.27 0.00 0.04 0.00 0.00 61.00 63.36 3a13 s PRO 92 Cb -0.16 -3.02 1.70 0.00 0.04 0.00 0.00 34.50 33.06 3a13 s PRO 92 CO 0.03 -0.21 2.21 0.27 0.04 0.00 0.00 177.00 179.34 3a13 h PHE 93 N 3.28 0.00 -0.26 0.56 -5.15 -1.23 -2.05 116.94 112.09 3a13 h PHE 93 Ca -0.49 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.28 3a13 h PHE 93 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.40 3a13 h PHE 93 CO 0.56 0.00 0.00 -2.39 -2.00 0.00 0.00 178.31 174.48 3a13 n HIS 94 N -3.95 0.34 0.28 6.09 1.44 -1.26 -2.72 115.22 115.43 3a13 n HIS 94 Ca -0.02 -0.17 0.14 0.00 -2.01 0.00 0.00 57.72 55.66 3a13 n HIS 94 Cb 0.14 0.00 0.36 0.00 0.12 0.00 0.00 29.99 30.61 3a13 n HIS 94 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3a13 h ALA 95 N 3.70 1.00 -3.39 1.59 0.00 -1.71 -3.46 119.26 116.99 3a13 h ALA 95 Ca 0.00 0.00 -0.65 0.00 0.00 0.00 0.00 54.91 54.26 3a13 h ALA 95 Cb 0.42 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.06 3a13 h ALA 95 CO 0.00 0.00 -0.72 -0.06 0.00 0.00 0.00 179.25 178.47 3a13 s PHE 96 N -3.34 2.75 0.29 0.00 0.08 -1.10 -5.10 117.98 111.56 3a13 s PHE 96 Ca 0.05 -0.16 -0.29 0.00 0.12 0.00 0.00 56.93 56.65 3a13 s PHE 96 Cb 0.07 -1.41 -0.10 0.00 -0.57 0.00 0.00 43.02 41.01 3a13 s PHE 96 CO 0.62 0.45 1.43 -2.00 -0.10 0.00 0.00 175.22 175.62 3a13 s GLU 97 N -2.40 4.25 0.32 0.44 2.12 -1.26 -4.95 118.70 117.23 3a13 s GLU 97 Ca 0.23 2.34 -0.29 0.00 0.36 0.00 0.00 54.97 57.61 3a13 s GLU 97 Cb -0.11 -3.07 -0.12 0.00 0.26 0.00 0.00 34.13 31.10 3a13 s GLU 97 CO 0.15 -0.40 1.48 -1.91 -0.54 0.00 0.00 175.26 174.04 3a13 n GLU 98 N 1.66 2.50 -3.99 4.30 2.13 -1.26 -3.36 120.64 122.62 3a13 n GLU 98 Ca 0.04 0.88 -0.29 0.00 0.66 0.00 0.00 57.16 58.45 3a13 n GLU 98 Cb 0.40 -2.59 -0.00 0.00 0.27 0.00 0.00 31.44 29.52 3a13 n GLU 98 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3a13 n ALA 99 N 1.17 -1.63 -3.60 4.31 0.00 -1.26 -4.93 120.51 114.57 3a13 n ALA 99 Ca 0.06 -0.07 -0.28 0.00 0.00 0.00 0.00 53.44 53.15 3a13 n ALA 99 Cb 0.37 -2.81 -0.11 0.00 0.00 0.00 0.00 19.45 16.89 3a13 n ALA 99 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3a13 s ASN 100 N -3.82 2.86 0.14 0.00 3.84 -1.21 -5.00 114.94 111.75 3a13 s ASN 100 Ca 0.36 -3.18 -0.18 0.00 0.21 0.00 0.00 52.86 50.08 3a13 s ASN 100 Cb -0.19 -0.88 -0.02 0.00 -0.55 0.00 0.00 41.25 39.61 3a13 s ASN 100 CO 0.88 -0.17 1.78 0.25 -2.79 0.00 0.00 177.10 177.05 3a13 h LEU 101 N 5.82 0.27 -0.94 3.21 5.85 -1.92 -1.91 115.31 125.70 3a13 h LEU 101 Ca 0.18 0.00 0.19 0.00 0.84 0.00 0.00 57.88 59.09 3a13 h LEU 101 Cb 0.87 -0.05 -0.11 0.00 0.37 0.00 0.00 40.66 41.74 3a13 h LEU 101 CO 0.48 0.20 0.52 -0.65 -0.34 0.00 0.00 178.44 178.65 3a13 h PRO 102 N 0.35 0.61 -0.36 5.25 0.11 -1.94 0.27 132.00 136.29 3a13 h PRO 102 Ca 0.11 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 66.06 3a13 h PRO 102 Cb -0.00 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 30.96 3a13 h PRO 102 CO -0.05 0.41 -0.29 0.78 -0.21 0.00 0.00 178.00 178.63 3a13 h GLY 103 N 0.63 0.83 1.04 -0.55 0.00 -1.87 -1.08 103.07 102.08 3a13 h GLY 103 Ca 0.55 -0.76 -0.07 0.00 0.00 0.00 0.00 47.33 47.05 3a13 h GLY 103 CO -0.42 0.69 0.11 -2.00 0.00 0.00 0.00 176.54 174.92 3a13 h LEU 104 N 0.65 0.97 -1.01 3.11 7.12 -0.38 -2.88 115.31 122.89 3a13 h LEU 104 Ca 0.08 -0.26 -0.08 0.00 0.13 0.00 0.00 57.88 57.75 3a13 h LEU 104 Cb 0.82 -0.26 -0.02 0.00 -0.53 0.00 0.00 40.66 40.68 3a13 h LEU 104 CO 0.07 0.98 -0.14 -0.07 -0.13 0.00 0.00 178.44 179.15 3a13 h LEU 105 N 0.92 0.54 -1.71 2.25 3.38 -0.22 -1.54 115.31 118.93 3a13 h LEU 105 Ca 0.19 -0.15 0.08 0.00 0.09 0.00 0.00 57.88 58.09 3a13 h LEU 105 Cb 0.42 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 3a13 h LEU 105 CO 0.01 0.71 0.34 0.00 0.09 0.00 0.00 178.44 179.59 3a13 h ALA 106 N 1.35 2.02 0.00 1.53 0.00 -0.99 0.23 119.26 123.40 3a13 h ALA 106 Ca 0.09 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3a13 h ALA 106 Cb 0.54 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 3a13 h ALA 106 CO 0.03 -0.13 -0.14 0.77 0.00 0.00 0.00 179.25 179.78 3a13 h SER 107 N 0.34 0.00 0.03 0.00 0.02 -1.20 -3.22 113.55 109.53 3a13 h SER 107 Ca 0.23 -0.43 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 3a13 h SER 107 Cb 0.45 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.99 3a13 h SER 107 CO -0.05 0.79 -0.17 2.30 -1.14 0.00 0.00 176.83 178.56 3a13 n ILE 108 N -4.67 0.00 -2.57 3.27 -6.64 -0.72 -4.10 119.36 103.93 3a13 n ILE 108 Ca -0.07 -0.30 0.00 0.00 -1.77 0.00 0.00 62.75 60.61 3a13 n ILE 108 Cb 0.26 0.94 0.05 0.00 -1.44 0.00 0.00 39.64 39.45 3a13 n ILE 108 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3a13 n ALA 109 N 0.29 2.74 -2.40 -1.28 0.00 0.80 -5.01 120.51 115.65 3a13 n ALA 109 Ca 0.14 -2.71 0.00 0.00 0.00 0.00 0.00 53.44 50.87 3a13 n ALA 109 Cb 0.45 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 19.15 3a13 n ALA 109 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a13 n GLY 110 N -0.21 1.04 0.32 0.00 0.00 -1.18 -4.80 105.19 100.35 3a13 n GLY 110 Ca 0.10 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.29 3a13 n GLY 110 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3a13 h ASN 111 N 0.00 0.00 -0.12 1.61 2.35 -1.87 -3.09 115.58 114.46 3a13 h ASN 111 Ca 0.00 0.00 0.03 0.00 -0.55 0.00 0.00 56.30 55.78 3a13 h ASN 111 Cb 0.00 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.37 3a13 h ASN 111 CO 0.00 0.00 0.09 0.16 -1.65 0.00 0.00 177.43 176.03 3a13 h ILE 112 N 0.00 0.84 0.00 2.81 3.07 -1.89 -0.56 117.51 121.78 3a13 h ILE 112 Ca 0.01 0.00 -0.02 0.00 1.55 0.00 0.00 64.86 66.40 3a13 h ILE 112 Cb 0.09 0.93 -0.00 0.00 -0.27 0.00 0.00 36.82 37.57 3a13 h ILE 112 CO -0.00 0.00 -0.10 -0.26 -1.05 0.00 0.00 178.15 176.74 3a13 h PHE 113 N 0.00 0.00 -0.47 0.16 0.04 -1.89 -2.96 116.94 111.82 3a13 h PHE 113 Ca 0.06 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.83 3a13 h PHE 113 Cb 0.24 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.39 3a13 h PHE 113 CO 0.00 0.10 0.00 0.41 -0.60 0.00 0.00 178.31 178.22 3a13 n GLY 114 N -0.57 1.91 3.70 -1.45 0.00 -0.22 -4.82 105.19 103.75 3a13 n GLY 114 Ca -0.01 -0.76 -0.42 0.00 0.00 0.00 0.00 46.02 44.82 3a13 n GLY 114 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3a13 s MET 115 N -1.39 4.31 0.64 1.61 -1.94 -1.12 -4.88 119.30 116.52 3a13 s MET 115 Ca 0.41 2.02 0.35 0.00 -1.71 0.00 0.00 55.69 56.77 3a13 s MET 115 Cb 0.24 -3.40 1.98 0.00 2.01 0.00 0.00 34.83 35.66 3a13 s MET 115 CO 0.32 -0.49 2.19 0.87 -0.01 0.00 0.00 175.02 177.90 3a13 h LYS 116 N 7.27 0.00 0.00 2.03 1.57 -1.93 -1.91 116.57 123.60 3a13 h LYS 116 Ca -0.40 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 3a13 h LYS 116 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 3a13 h LYS 116 CO 0.88 0.00 0.00 -2.13 -0.57 0.00 0.00 179.45 177.63 3a13 n ARG 117 N -3.33 0.24 -4.88 3.15 0.63 -1.26 -4.59 116.66 106.63 3a13 n ARG 117 Ca -0.01 0.31 -0.33 0.00 -0.92 0.00 0.00 57.85 56.90 3a13 n ARG 117 Cb 0.21 -1.85 -0.15 0.00 0.45 0.00 0.00 32.46 31.12 3a13 n ARG 117 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 3a13 s VAL 118 N -3.20 2.85 0.24 5.15 -7.23 -0.72 -0.82 120.40 116.66 3a13 s VAL 118 Ca 0.08 -0.74 0.07 0.00 -1.81 0.00 0.00 61.98 59.58 3a13 s VAL 118 Cb 0.11 -2.17 -0.06 0.00 0.56 0.00 0.00 36.38 34.82 3a13 s VAL 118 CO 0.51 0.54 1.54 0.50 -0.31 0.00 0.00 175.10 177.88 3a13 h LYS 119 N 6.60 0.09 -2.62 4.82 3.64 -0.13 -3.43 116.57 125.54 3a13 h LYS 119 Ca -0.26 -0.07 -0.10 0.00 -1.27 0.00 0.00 60.65 58.95 3a13 h LYS 119 Cb 1.21 0.02 -0.21 0.00 -0.41 0.00 0.00 32.23 32.84 3a13 h LYS 119 CO 0.53 0.74 -0.12 0.20 -2.27 0.00 0.00 179.45 178.53 3a13 s GLY 120 N -4.45 -0.33 -0.05 5.01 0.00 -1.06 -5.00 107.32 101.44 3a13 s GLY 120 Ca -0.02 0.97 -0.02 0.00 0.00 0.00 0.00 44.72 45.64 3a13 s GLY 120 CO 0.79 0.73 0.08 -2.27 0.00 0.00 0.00 173.10 172.43 3a13 s LEU 121 N -0.65 0.20 -0.22 0.66 2.96 -1.13 -1.51 118.68 118.99 3a13 s LEU 121 Ca -0.07 0.15 0.01 0.00 -0.22 0.00 0.00 54.13 53.99 3a13 s LEU 121 Cb -0.03 -0.01 0.05 0.00 0.50 0.00 0.00 46.19 46.70 3a13 s LEU 121 CO 0.04 -0.23 -0.08 -0.60 -1.32 0.00 0.00 176.35 174.16 3a13 s ARG 122 N 2.05 1.86 -0.33 1.98 3.00 -0.95 -1.00 118.95 125.56 3a13 s ARG 122 Ca 0.03 -0.97 -0.29 0.00 -1.00 0.00 0.00 55.73 53.49 3a13 s ARG 122 Cb -0.12 -2.55 -0.00 0.00 0.00 0.00 0.00 34.95 32.27 3a13 s ARG 122 CO -0.04 -0.53 1.41 -1.17 0.00 0.00 0.00 175.30 174.98 3a13 s LEU 123 N 1.36 3.76 -0.11 -0.88 2.96 -0.04 -0.28 118.68 125.44 3a13 s LEU 123 Ca -0.04 1.14 0.15 0.00 -0.22 0.00 0.00 54.13 55.16 3a13 s LEU 123 Cb -0.18 -3.54 -0.24 0.00 0.50 0.00 0.00 46.19 42.74 3a13 s LEU 123 CO -0.07 -1.26 0.39 -0.62 -1.32 0.00 0.00 176.35 173.46 3a13 n GLU 124 N 7.70 0.66 -3.47 1.98 -0.58 0.26 -0.40 120.64 126.78 3a13 n GLU 124 Ca 0.16 0.14 -0.13 0.00 -0.42 0.00 0.00 57.16 56.92 3a13 n GLU 124 Cb 0.47 -1.66 -0.03 0.00 -0.57 0.00 0.00 31.44 29.65 3a13 n GLU 124 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3a13 s ASP 125 N -5.77 -0.54 -0.16 1.62 2.15 -1.12 -4.45 116.67 108.41 3a13 s ASP 125 Ca -0.07 0.19 -0.02 0.00 0.43 0.00 0.00 52.55 53.08 3a13 s ASP 125 Cb 0.07 0.52 0.05 0.00 -0.30 0.00 0.00 42.92 43.27 3a13 s ASP 125 CO 0.83 -0.78 0.02 -0.22 -0.17 0.00 0.00 175.17 174.85 3a13 s LEU 126 N -2.23 1.10 -0.16 -1.34 2.96 -1.26 -1.28 118.68 116.48 3a13 s LEU 126 Ca -0.01 -0.63 -0.17 0.00 -0.22 0.00 0.00 54.13 53.10 3a13 s LEU 126 Cb -0.01 -0.60 -0.04 0.00 0.50 0.00 0.00 46.19 46.04 3a13 s LEU 126 CO -0.06 -0.26 0.45 -0.47 -1.32 0.00 0.00 176.35 174.68 3a13 s TYR 127 N 1.85 3.44 -0.17 5.38 5.04 0.15 -4.98 117.35 128.07 3a13 s TYR 127 Ca 0.01 0.76 -0.02 0.00 -2.44 0.00 0.00 57.07 55.37 3a13 s TYR 127 Cb -0.16 -2.55 -0.01 0.00 0.35 0.00 0.00 41.96 39.59 3a13 s TYR 127 CO -0.07 0.07 -0.08 -0.06 -1.34 0.00 0.00 175.55 174.07 3a13 s PHE 128 N 1.01 2.91 0.74 4.97 0.08 -1.26 -2.62 117.98 123.80 3a13 s PHE 128 Ca 0.23 -0.74 -0.13 0.00 0.12 0.00 0.00 56.93 56.40 3a13 s PHE 128 Cb -0.15 -1.97 0.04 0.00 -0.57 0.00 0.00 43.02 40.37 3a13 s PHE 128 CO 0.09 -0.34 1.13 -1.25 -0.10 0.00 0.00 175.22 174.75 3a13 s PRO 129 N 0.85 2.27 0.34 0.24 0.04 -1.26 -4.71 135.00 132.78 3a13 s PRO 129 Ca -0.02 1.44 0.13 0.00 0.04 0.00 0.00 61.00 62.58 3a13 s PRO 129 Cb -0.15 -1.88 0.99 0.00 0.04 0.00 0.00 34.50 33.50 3a13 s PRO 129 CO 0.01 -1.67 1.72 1.49 0.04 0.00 0.00 177.00 178.59 3a13 h GLU 130 N -0.59 0.46 -0.80 4.56 4.81 -1.81 0.02 114.58 121.23 3a13 h GLU 130 Ca -0.46 -0.03 0.08 0.00 -0.13 0.00 0.00 59.36 58.82 3a13 h GLU 130 Cb 1.26 -0.10 -0.07 0.00 0.63 0.00 0.00 28.75 30.47 3a13 h GLU 130 CO 0.51 0.31 0.47 -0.22 -0.73 0.00 0.00 179.01 179.34 3a13 h LYS 131 N 0.48 0.80 -0.12 1.92 3.64 -1.91 -0.47 116.57 120.91 3a13 h LYS 131 Ca 0.67 -0.05 -0.22 0.00 -1.27 0.00 0.00 60.65 59.78 3a13 h LYS 131 Cb 1.42 -0.18 0.01 0.00 -0.41 0.00 0.00 32.23 33.07 3a13 h LYS 131 CO -0.48 0.53 -0.79 -0.07 -2.27 0.00 0.00 179.45 176.38 3a13 h LEU 132 N 0.83 0.89 -0.83 5.20 4.07 -1.36 -3.12 115.31 120.98 3a13 h LEU 132 Ca 0.37 -0.65 0.15 0.00 0.08 0.00 0.00 57.88 57.83 3a13 h LEU 132 Cb 0.26 -0.27 -0.10 0.00 1.08 0.00 0.00 40.66 41.64 3a13 h LEU 132 CO -0.21 1.41 0.40 0.40 -1.08 0.00 0.00 178.44 179.36 3a13 h ILE 133 N 0.45 0.68 0.00 1.22 1.08 -0.81 -0.20 117.51 119.92 3a13 h ILE 133 Ca -0.07 -0.19 0.00 0.00 -0.39 0.00 0.00 64.86 64.21 3a13 h ILE 133 Cb 1.43 0.08 0.00 0.00 -3.07 0.00 0.00 36.82 35.26 3a13 h ILE 133 CO 0.16 0.10 0.00 0.54 -0.69 0.00 0.00 178.15 178.26 3a13 n ARG 134 N -4.92 0.34 0.00 2.37 1.74 -0.24 -1.51 116.66 114.44 3a13 n ARG 134 Ca 0.17 0.06 0.15 0.00 -0.77 0.00 0.00 57.85 57.45 3a13 n ARG 134 Cb 0.46 -1.50 0.70 0.00 -1.02 0.00 0.00 32.46 31.10 3a13 n ARG 134 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3a13 n GLU 135 N -1.29 0.44 -4.18 5.56 1.02 -0.09 -4.83 120.64 117.27 3a13 n GLU 135 Ca 0.11 -0.05 -0.25 0.00 -0.02 0.00 0.00 57.16 56.95 3a13 n GLU 135 Cb 0.20 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.05 3a13 n GLU 135 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 3a13 s PHE 136 N -2.60 2.93 -0.10 -0.32 0.08 -0.57 -4.91 117.98 112.50 3a13 s PHE 136 Ca 0.27 -0.12 0.21 0.00 0.12 0.00 0.00 56.93 57.41 3a13 s PHE 136 Cb 0.20 -1.38 -0.24 0.00 -0.57 0.00 0.00 43.02 41.03 3a13 s PHE 136 CO 0.48 0.54 0.55 -0.25 -0.10 0.00 0.00 175.22 176.44 3a13 n ASP 137 N -0.51 0.24 -0.55 1.36 8.00 -1.25 -4.97 116.55 118.87 3a13 n ASP 137 Ca -0.08 0.10 0.01 0.00 0.71 0.00 0.00 54.79 55.52 3a13 n ASP 137 Cb 0.56 1.37 -0.00 0.00 -0.02 0.00 0.00 41.12 43.03 3a13 n ASP 137 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3a13 n GLY 138 N 1.34 -1.53 3.74 0.44 0.00 0.00 -4.70 105.19 104.47 3a13 n GLY 138 Ca -0.08 -1.21 -0.42 0.00 0.00 0.00 0.00 46.02 44.31 3a13 n GLY 138 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3a13 s PRO 139 N -0.15 4.19 0.18 1.61 0.02 -1.24 -4.19 135.00 135.42 3a13 s PRO 139 Ca 0.00 2.45 -0.08 0.00 0.02 0.00 0.00 61.00 63.38 3a13 s PRO 139 Cb 0.00 -3.09 0.07 0.00 0.02 0.00 0.00 34.50 31.50 3a13 s PRO 139 CO 0.00 -0.58 1.58 0.00 -0.33 0.00 0.00 177.00 177.68 3a13 h ALA 140 N 5.61 0.76 0.00 -1.55 0.00 -1.88 -3.39 119.26 118.82 3a13 h ALA 140 Ca -0.45 -0.38 -0.40 0.00 0.00 0.00 0.00 54.91 53.68 3a13 h ALA 140 Cb 1.21 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.77 3a13 h ALA 140 CO 0.84 0.66 -2.33 1.19 0.00 0.00 0.00 179.25 179.61 3a13 n PHE 141 N -4.12 0.00 -4.71 0.00 3.72 -1.26 -4.93 117.46 106.17 3a13 n PHE 141 Ca 0.00 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.41 3a13 n PHE 141 Cb 0.44 -0.87 -0.00 0.00 -0.94 0.00 0.00 39.48 38.11 3a13 n PHE 141 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3a13 n GLY 142 N 1.45 -1.12 0.11 1.37 0.00 -1.26 0.11 105.19 105.85 3a13 n GLY 142 Ca -0.48 -1.05 -0.08 0.00 0.00 0.00 0.00 46.02 44.41 3a13 n GLY 142 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3a13 h ILE 143 N -0.05 0.80 -0.50 -0.61 2.04 -1.57 -1.45 117.51 116.16 3a13 h ILE 143 Ca 0.00 -0.01 0.03 0.00 1.00 0.00 0.00 64.86 65.88 3a13 h ILE 143 Cb 0.05 0.77 -0.04 0.00 -0.74 0.00 0.00 36.82 36.86 3a13 h ILE 143 CO 0.00 0.01 0.29 -0.33 0.00 0.00 0.00 178.15 178.11 3a13 h GLU 144 N 0.03 0.55 -0.51 2.37 4.39 -1.87 0.45 114.58 119.99 3a13 h GLU 144 Ca 0.11 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.78 3a13 h GLU 144 Cb 0.16 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 3a13 h GLU 144 CO -0.21 0.37 0.32 0.78 -1.16 0.00 0.00 179.01 179.10 3a13 h GLY 145 N 0.57 0.73 1.22 -3.84 0.00 0.04 -1.01 103.07 100.77 3a13 h GLY 145 Ca 0.21 -0.29 -0.22 0.00 0.00 0.00 0.00 47.33 47.03 3a13 h GLY 145 CO -0.11 0.28 -0.78 -2.08 0.00 0.00 0.00 176.54 173.86 3a13 h VAL 146 N 0.68 1.28 -0.58 4.60 2.07 -0.86 -1.00 116.25 122.45 3a13 h VAL 146 Ca 0.18 -1.99 -0.03 0.00 0.82 0.00 0.00 66.70 65.69 3a13 h VAL 146 Cb -0.04 1.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.70 3a13 h VAL 146 CO -0.04 0.63 0.24 0.03 0.02 0.00 0.00 177.57 178.45 3a13 h ARG 147 N 0.52 0.83 -0.23 1.57 3.08 -0.82 -1.20 114.38 118.14 3a13 h ARG 147 Ca -0.05 -0.12 -0.04 0.00 0.07 0.00 0.00 59.98 59.83 3a13 h ARG 147 Cb 1.40 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 31.30 3a13 h ARG 147 CO 0.16 0.67 -0.03 -0.22 -1.07 0.00 0.00 179.97 179.48 3a13 h LYS 148 N 0.82 0.42 -0.86 0.04 3.64 -1.04 0.17 116.57 119.77 3a13 h LYS 148 Ca 0.20 -0.15 0.03 0.00 -1.27 0.00 0.00 60.65 59.46 3a13 h LYS 148 Cb 0.15 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 31.89 3a13 h LYS 148 CO -0.02 0.64 0.55 1.98 -2.27 0.00 0.00 179.45 180.33 3a13 h MET 149 N 0.17 1.05 -0.17 1.90 4.05 -0.93 -2.49 114.93 118.51 3a13 h MET 149 Ca 0.06 -0.06 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 3a13 h MET 149 Cb 0.47 -0.24 0.00 0.00 -0.80 0.00 0.00 31.60 31.04 3a13 h MET 149 CO 0.02 0.69 0.00 1.28 0.23 0.00 0.00 176.91 179.13 3a13 n LEU 150 N -4.55 2.31 -4.26 3.39 4.77 -0.47 -4.93 117.00 113.27 3a13 n LEU 150 Ca 0.11 -0.91 -0.32 0.00 -0.03 0.00 0.00 56.01 54.85 3a13 n LEU 150 Cb 0.09 -0.10 -0.07 0.00 -2.33 0.00 0.00 43.42 41.00 3a13 n LEU 150 CO 0.34 0.45 -0.31 -0.62 -1.33 0.00 0.00 177.39 175.92 3a13 n GLU 151 N 0.76 -1.76 -4.07 3.23 1.02 -0.02 -4.32 120.64 115.49 3a13 n GLU 151 Ca 0.17 0.21 -0.32 0.00 -0.02 0.00 0.00 57.16 57.20 3a13 n GLU 151 Cb 0.45 -4.19 -0.16 0.00 -0.02 0.00 0.00 31.44 27.53 3a13 n GLU 151 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3a13 s ILE 152 N -3.96 1.94 -0.16 -3.67 1.01 -0.77 -4.94 121.20 110.65 3a13 s ILE 152 Ca 0.23 -1.10 -0.24 0.00 0.00 0.00 0.00 60.65 59.54 3a13 s ILE 152 Cb -0.13 -1.89 -0.23 0.00 0.01 0.00 0.00 42.46 40.21 3a13 s ILE 152 CO 0.97 0.31 0.52 0.50 0.00 0.00 0.00 174.94 177.24 3a13 h LYS 153 N 7.92 0.03 0.00 2.79 3.64 -1.92 -3.43 116.57 125.61 3a13 h LYS 153 Ca -0.35 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 3a13 h LYS 153 Cb 1.11 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 3a13 h LYS 153 CO 0.55 1.03 -0.36 -0.25 -2.27 0.00 0.00 179.45 178.14 3a13 n ASP 154 N -4.45 1.78 -4.78 4.20 8.00 -1.26 -5.07 116.55 114.97 3a13 n ASP 154 Ca -0.21 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 54.97 3a13 n ASP 154 Cb 0.62 0.17 0.06 0.00 -0.02 0.00 0.00 41.12 41.94 3a13 n ASP 154 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3a13 s ARG 155 N -1.36 2.70 0.67 -1.24 1.70 -1.26 -4.68 118.95 115.48 3a13 s ARG 155 Ca 0.00 1.23 -0.17 0.00 -0.47 0.00 0.00 55.73 56.32 3a13 s ARG 155 Cb 0.00 -1.95 -0.01 0.00 -0.57 0.00 0.00 34.95 32.43 3a13 s ARG 155 CO 0.00 -1.31 1.19 -2.30 -1.08 0.00 0.00 175.30 171.81 3a13 n PRO 156 N -2.83 0.91 -2.79 3.89 -0.02 -1.19 -4.90 135.00 128.07 3a13 n PRO 156 Ca 0.09 0.37 -0.36 0.00 -2.02 0.00 0.00 63.50 61.59 3a13 n PRO 156 Cb 0.53 -2.43 -0.07 0.00 -0.02 0.00 0.00 33.50 31.51 3a13 n PRO 156 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3a13 s ILE 157 N -1.53 4.26 -0.03 4.25 -1.09 -0.77 -4.91 121.20 121.38 3a13 s ILE 157 Ca 0.80 1.72 0.03 0.00 -2.23 0.00 0.00 60.65 60.97 3a13 s ILE 157 Cb -0.37 -3.88 0.00 0.00 -1.58 0.00 0.00 42.46 36.63 3a13 s ILE 157 CO 0.43 -0.00 -0.10 -0.47 -1.23 0.00 0.00 174.94 173.57 3a13 s TYR 158 N -1.79 1.12 0.26 3.97 5.04 -1.26 0.46 117.35 125.15 3a13 s TYR 158 Ca 0.54 -0.30 -0.18 0.00 -2.44 0.00 0.00 57.07 54.69 3a13 s TYR 158 Cb -0.16 -0.80 0.01 0.00 0.35 0.00 0.00 41.96 41.37 3a13 s TYR 158 CO 0.20 -0.13 0.62 0.20 -1.34 0.00 0.00 175.55 175.11 3a13 s GLY 159 N 0.24 0.15 -0.03 8.97 0.00 -0.65 0.37 107.32 116.36 3a13 s GLY 159 Ca -0.05 -0.52 0.02 0.00 0.00 0.00 0.00 44.72 44.17 3a13 s GLY 159 CO 0.01 -0.30 -0.08 0.14 0.00 0.00 0.00 173.10 172.88 3a13 s VAL 160 N -3.96 0.71 -0.18 1.40 1.01 -0.77 -1.85 120.40 116.76 3a13 s VAL 160 Ca 0.15 -0.29 -0.12 0.00 0.00 0.00 0.00 61.98 61.72 3a13 s VAL 160 Cb -0.04 -0.65 -0.05 0.00 0.00 0.00 0.00 36.38 35.64 3a13 s VAL 160 CO 0.07 0.23 0.21 -0.69 0.00 0.00 0.00 175.10 174.93 3a13 s VAL 161 N 0.38 5.36 0.51 2.92 1.01 -1.26 -4.43 120.40 124.88 3a13 s VAL 161 Ca -0.06 0.37 -0.22 0.00 0.00 0.00 0.00 61.98 62.07 3a13 s VAL 161 Cb -0.10 -3.55 -0.06 0.00 0.00 0.00 0.00 36.38 32.67 3a13 s VAL 161 CO 0.01 0.41 1.33 -2.84 0.00 0.00 0.00 175.10 174.00 3a13 s PRO 162 N 0.44 3.35 -0.07 2.72 0.02 -1.26 -4.56 135.00 135.63 3a13 s PRO 162 Ca 0.12 2.16 0.03 0.00 0.02 0.00 0.00 61.00 63.34 3a13 s PRO 162 Cb -0.12 -2.35 0.01 0.00 0.02 0.00 0.00 34.50 32.06 3a13 s PRO 162 CO 0.01 -1.00 -0.15 0.15 -0.33 0.00 0.00 177.00 175.68 3a13 s LYS 163 N -2.79 1.91 0.71 5.54 -0.14 -1.26 -3.45 119.74 120.26 3a13 s LYS 163 Ca 0.68 -0.52 -0.13 0.00 -1.36 0.00 0.00 55.97 54.64 3a13 s LYS 163 Cb -0.38 -1.56 0.03 0.00 -1.68 0.00 0.00 37.83 34.23 3a13 s LYS 163 CO 0.46 0.10 1.12 -1.25 -0.76 0.00 0.00 175.35 175.02 3a13 s PRO 164 N 0.48 2.46 0.31 -1.68 0.04 -1.26 -5.09 135.00 130.25 3a13 s PRO 164 Ca -0.13 1.38 0.05 0.00 0.04 0.00 0.00 61.00 62.35 3a13 s PRO 164 Cb -0.15 -1.91 0.50 0.00 0.04 0.00 0.00 34.50 32.98 3a13 s PRO 164 CO 0.04 -1.51 1.75 1.57 0.04 0.00 0.00 177.00 178.89 3a13 h LYS 165 N -0.45 0.34 -4.91 4.56 2.10 -1.96 -3.45 116.57 112.80 3a13 h LYS 165 Ca -0.46 -0.13 -0.46 0.00 -2.00 0.00 0.00 60.65 57.60 3a13 h LYS 165 Cb 1.25 -0.02 -0.13 0.00 -0.90 0.00 0.00 32.23 32.42 3a13 h LYS 165 CO 0.52 0.60 -0.52 0.14 -2.00 0.00 0.00 179.45 178.19 3a13 s VAL 166 N -4.41 0.24 0.00 0.07 -7.23 -1.26 -4.54 120.40 103.26 3a13 s VAL 166 Ca -0.06 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.11 3a13 s VAL 166 Cb 0.14 -2.46 0.00 0.00 0.56 0.00 0.00 36.38 34.62 3a13 s VAL 166 CO 0.77 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 176.17 3a13 n GLY 167 N -0.67 0.71 3.75 2.32 0.00 -1.26 -5.07 105.19 104.97 3a13 n GLY 167 Ca 0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.81 3a13 n GLY 167 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3a13 s TYR 168 N -2.74 2.95 0.38 1.61 -0.85 -1.26 -5.12 117.35 112.32 3a13 s TYR 168 Ca 0.00 -0.15 0.07 0.00 -0.52 0.00 0.00 57.07 56.48 3a13 s TYR 168 Cb 0.00 -1.33 -0.00 0.00 0.38 0.00 0.00 41.96 41.00 3a13 s TYR 168 CO 0.00 0.56 0.49 -1.54 -1.52 0.00 0.00 175.55 173.53 3a13 s SER 169 N -3.67 5.69 0.25 -0.18 1.04 -1.26 -4.59 113.70 110.98 3a13 s SER 169 Ca 0.32 -0.37 -0.04 0.00 0.48 0.00 0.00 55.95 56.34 3a13 s SER 169 Cb -0.08 -0.90 0.31 0.00 0.10 0.00 0.00 66.02 65.46 3a13 s SER 169 CO 0.23 -0.59 1.80 -0.65 0.98 0.00 0.00 173.24 175.01 3a13 h PRO 170 N 0.83 0.97 -0.35 4.02 0.11 -1.95 -0.31 132.00 135.31 3a13 h PRO 170 Ca -0.43 -0.19 -0.12 0.00 0.11 0.00 0.00 66.00 65.37 3a13 h PRO 170 Cb 1.27 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 3a13 h PRO 170 CO 0.50 0.83 -0.26 0.93 -0.21 0.00 0.00 178.00 179.80 3a13 h GLU 171 N 0.93 0.71 -0.21 1.05 3.07 -1.95 -0.73 114.58 117.46 3a13 h GLU 171 Ca 0.21 -0.30 -0.13 0.00 -0.50 0.00 0.00 59.36 58.64 3a13 h GLU 171 Cb 0.27 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.15 3a13 h GLU 171 CO -0.01 0.89 -0.41 0.93 -1.40 0.00 0.00 179.01 179.01 3a13 h GLU 172 N 0.61 0.50 -0.47 2.33 5.08 -1.88 -3.12 114.58 117.64 3a13 h GLU 172 Ca 0.08 -0.26 -0.12 0.00 -1.00 0.00 0.00 59.36 58.06 3a13 h GLU 172 Cb 0.76 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 3a13 h GLU 172 CO 0.06 0.83 -0.20 0.35 -1.00 0.00 0.00 179.01 179.05 3a13 h PHE 173 N 0.41 1.07 -0.60 4.33 3.57 -0.67 -3.29 116.94 121.77 3a13 h PHE 173 Ca 0.03 -0.25 0.11 0.00 3.53 0.00 0.00 57.97 61.40 3a13 h PHE 173 Cb 0.90 -0.25 -0.12 0.00 2.79 0.00 0.00 35.95 39.27 3a13 h PHE 173 CO 0.03 1.05 -0.28 1.49 -2.23 0.00 0.00 178.31 178.38 3a13 h GLU 174 N 0.82 -0.11 -0.40 1.11 4.81 -1.07 0.70 114.58 120.43 3a13 h GLU 174 Ca 0.11 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.30 3a13 h GLU 174 Cb 0.76 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.15 3a13 h GLU 174 CO 0.06 -0.08 0.05 -0.22 -0.73 0.00 0.00 179.01 178.10 3a13 h LYS 175 N -0.12 0.67 -0.16 1.92 3.11 -1.69 0.79 116.57 121.09 3a13 h LYS 175 Ca 0.26 -0.19 0.01 0.00 -2.81 0.00 0.00 60.65 57.92 3a13 h LYS 175 Cb 0.53 -0.08 -0.01 0.00 -1.00 0.00 0.00 32.23 31.67 3a13 h LYS 175 CO -0.67 0.73 0.08 1.25 -2.81 0.00 0.00 179.45 178.02 3a13 h LEU 176 N 0.52 0.11 -0.13 5.20 5.85 -1.48 -0.60 115.31 124.78 3a13 h LEU 176 Ca 0.12 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.86 3a13 h LEU 176 Cb 0.39 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 3a13 h LEU 176 CO 0.01 0.09 0.05 0.00 -0.34 0.00 0.00 178.44 178.25 3a13 h ALA 177 N 1.08 0.14 -0.45 1.25 0.00 -0.59 -0.52 119.26 120.18 3a13 h ALA 177 Ca 0.06 0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.03 3a13 h ALA 177 Cb 0.01 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 3a13 h ALA 177 CO -0.04 -0.39 0.19 -0.92 0.00 0.00 0.00 179.25 178.08 3a13 h TYR 178 N 0.12 0.34 -0.53 0.00 3.20 -0.69 -0.30 116.97 119.11 3a13 h TYR 178 Ca 0.05 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.86 3a13 h TYR 178 Cb 0.02 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.18 3a13 h TYR 178 CO -0.10 0.15 0.01 -0.44 -1.64 0.00 0.00 178.16 176.14 3a13 h ASP 179 N 0.38 0.87 -0.01 -2.11 3.32 -0.70 -1.60 116.42 116.57 3a13 h ASP 179 Ca 0.20 -0.22 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 3a13 h ASP 179 Cb 0.16 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.48 3a13 h ASP 179 CO -0.18 0.92 -0.03 -0.07 -1.72 0.00 0.00 179.24 178.16 3a13 h LEU 180 N 0.83 0.04 -0.94 1.55 3.38 -0.77 -2.95 115.31 116.45 3a13 h LEU 180 Ca 0.16 -0.65 -0.02 0.00 0.09 0.00 0.00 57.88 57.46 3a13 h LEU 180 Cb 0.48 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.18 3a13 h LEU 180 CO 0.02 0.68 0.49 -0.07 0.09 0.00 0.00 178.44 179.65 3a13 h LEU 181 N -0.61 1.10 -2.17 1.67 3.38 -1.07 -1.42 115.31 116.21 3a13 h LEU 181 Ca -0.00 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 3a13 h LEU 181 Cb 0.68 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 3a13 h LEU 181 CO 0.01 0.88 -0.06 0.28 0.09 0.00 0.00 178.44 179.64 3a13 h SER 182 N 1.24 0.00 -0.53 -0.43 0.02 -1.33 -2.87 113.55 109.65 3a13 h SER 182 Ca 0.31 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 61.04 3a13 h SER 182 Cb 0.02 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 62.43 3a13 h SER 182 CO -0.05 0.06 0.14 0.59 -1.14 0.00 0.00 176.83 176.43 3a13 n ASN 183 N -3.88 3.38 0.00 3.07 3.02 -0.56 -4.94 115.26 115.35 3a13 n ASN 183 Ca -0.03 -3.52 0.00 0.00 -0.03 0.00 0.00 54.58 51.01 3a13 n ASN 183 Cb 0.15 -0.68 0.00 0.00 -0.61 0.00 0.00 39.78 38.64 3a13 n ASN 183 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3a13 n GLY 184 N -0.86 2.34 3.70 7.41 0.00 -1.08 -2.23 105.19 114.47 3a13 n GLY 184 Ca 0.38 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.98 3a13 n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a13 s ALA 185 N -2.10 3.65 0.19 4.61 0.00 -1.03 -4.88 121.76 122.20 3a13 s ALA 185 Ca 0.00 1.14 0.12 0.00 0.00 0.00 0.00 51.96 53.22 3a13 s ALA 185 Cb 0.00 -3.60 0.28 0.00 0.00 0.00 0.00 23.12 19.80 3a13 s ALA 185 CO 0.00 -0.81 1.55 -0.44 0.00 0.00 0.00 175.76 176.06 3a13 h ASP 186 N 7.34 0.00 -5.05 0.00 3.32 -0.42 -3.39 116.42 118.22 3a13 h ASP 186 Ca -0.41 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.55 3a13 h ASP 186 Cb 1.20 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 40.59 3a13 h ASP 186 CO 0.90 0.65 -0.17 -0.72 -1.72 0.00 0.00 179.24 178.17 3a13 s TYR 187 N -3.38 -0.19 0.00 4.55 -0.85 -1.13 -1.36 117.35 115.00 3a13 s TYR 187 Ca -0.00 0.09 0.00 0.00 -0.52 0.00 0.00 57.07 56.64 3a13 s TYR 187 Cb 0.11 0.16 0.00 0.00 0.38 0.00 0.00 41.96 42.62 3a13 s TYR 187 CO 0.76 -0.55 0.00 -1.33 -1.52 0.00 0.00 175.55 172.91 3a13 n MET 188 N 0.50 1.95 -5.16 -3.49 2.81 -1.04 -1.85 117.12 110.84 3a13 n MET 188 Ca -0.18 0.00 -0.30 0.00 -1.81 0.00 0.00 57.70 55.40 3a13 n MET 188 Cb 0.60 0.00 -0.16 0.00 -0.71 0.00 0.00 33.22 32.95 3a13 n MET 188 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3a13 s ASP 190 N -0.90 3.05 0.57 7.83 1.01 -0.76 -0.99 116.67 126.49 3a13 s ASP 190 Ca 0.00 -0.51 -0.20 0.00 0.71 0.00 0.00 52.55 52.55 3a13 s ASP 190 Cb 0.00 -0.32 -0.04 0.00 1.01 0.00 0.00 42.92 43.57 3a13 s ASP 190 CO 0.00 0.30 1.31 -0.62 0.21 0.00 0.00 175.17 176.37 3a13 s ASP 191 N -0.81 5.14 0.66 0.27 2.15 -1.26 -4.86 116.67 117.96 3a13 s ASP 191 Ca 0.10 2.65 0.35 0.00 0.43 0.00 0.00 52.55 56.08 3a13 s ASP 191 Cb -0.10 -2.62 1.89 0.00 -0.30 0.00 0.00 42.92 41.79 3a13 s ASP 191 CO 0.00 -1.65 2.07 1.05 -0.17 0.00 0.00 175.17 176.48 3a13 h GLU 192 N 1.19 0.00 -0.19 4.34 9.09 -2.00 -0.94 114.58 126.07 3a13 h GLU 192 Ca -0.51 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.90 3a13 h GLU 192 Cb 1.31 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.41 3a13 h GLU 192 CO 0.56 0.00 0.00 0.27 0.05 0.00 0.00 179.01 179.89 3a13 n ASN 193 N -2.98 2.56 -4.57 3.06 0.23 -1.26 -4.86 115.26 107.44 3a13 n ASN 193 Ca -0.02 -2.06 -0.42 0.00 -0.53 0.00 0.00 54.58 51.55 3a13 n ASN 193 Cb 0.28 -0.15 -0.03 0.00 -2.08 0.00 0.00 39.78 37.81 3a13 n ASN 193 CO 0.00 0.00 0.00 -0.22 -0.93 0.00 0.00 177.26 176.11 3a13 s LEU 194 N -1.10 3.61 0.00 -4.53 2.96 -0.36 -4.94 118.68 114.32 3a13 s LEU 194 Ca 0.14 0.03 0.00 0.00 -0.22 0.00 0.00 54.13 54.09 3a13 s LEU 194 Cb 0.08 -3.12 0.00 0.00 0.50 0.00 0.00 46.19 43.65 3a13 s LEU 194 CO 0.09 -1.40 0.00 0.35 -1.32 0.00 0.00 176.35 174.07 3a13 n THR 195 N 6.58 0.00 -2.79 3.68 -2.24 -1.26 -4.71 114.28 113.54 3a13 n THR 195 Ca 0.07 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.65 3a13 n THR 195 Cb 0.49 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.71 3a13 n THR 195 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3a13 n SER 196 N 0.00 2.87 -4.29 3.42 2.88 -1.26 -4.26 113.62 112.97 3a13 n SER 196 Ca 0.00 -3.27 -0.29 0.00 -1.33 0.00 0.00 58.87 53.98 3a13 n SER 196 Cb 0.00 -0.54 0.20 0.00 -0.75 0.00 0.00 64.21 63.12 3a13 n SER 196 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 3a13 s PRO 197 N -3.16 -0.15 0.38 -1.46 0.04 -1.23 -4.65 135.00 124.76 3a13 s PRO 197 Ca 0.40 0.14 0.05 0.00 0.04 0.00 0.00 61.00 61.64 3a13 s PRO 197 Cb 0.38 -1.70 0.76 0.00 0.04 0.00 0.00 34.50 33.98 3a13 s PRO 197 CO -0.09 -3.04 2.02 0.11 0.04 0.00 0.00 177.00 176.04 3a13 h TRP 198 N -2.10 0.66 -0.00 0.56 5.08 -2.01 -1.53 115.95 116.61 3a13 h TRP 198 Ca -0.49 0.02 0.00 0.00 1.08 0.00 0.00 58.89 59.49 3a13 h TRP 198 Cb 1.31 -0.22 0.00 0.00 -3.00 0.00 0.00 29.16 27.25 3a13 h TRP 198 CO -0.85 0.40 -0.12 2.48 -1.28 0.00 0.00 178.44 179.08 3a13 n TYR 199 N -4.46 0.00 -2.80 0.12 0.18 -1.26 -4.38 117.16 104.56 3a13 n TYR 199 Ca 0.06 0.00 -0.07 0.00 1.88 0.00 0.00 57.90 59.77 3a13 n TYR 199 Cb 0.09 -0.23 0.02 0.00 -0.38 0.00 0.00 39.34 38.83 3a13 n TYR 199 CO 0.00 0.00 0.00 -1.71 -2.08 0.00 0.00 176.86 173.07 3a13 n ASN 200 N -1.09 -2.99 -4.73 9.48 2.85 -0.60 -4.12 115.26 114.06 3a13 n ASN 200 Ca 0.13 -3.04 -0.42 0.00 -0.11 0.00 0.00 54.58 51.14 3a13 n ASN 200 Cb 0.28 1.60 -0.03 0.00 1.24 0.00 0.00 39.78 42.88 3a13 n ASN 200 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 3a13 s ARG 201 N 0.70 4.28 0.20 1.20 1.81 -1.07 -3.52 118.95 122.55 3a13 s ARG 201 Ca 0.31 2.24 -0.12 0.00 -1.72 0.00 0.00 55.73 56.44 3a13 s ARG 201 Cb 0.10 -3.16 0.26 0.00 -0.45 0.00 0.00 34.95 31.69 3a13 s ARG 201 CO -0.14 -0.44 1.67 0.35 -0.68 0.00 0.00 175.30 176.06 3a13 h PHE 202 N 5.85 -0.04 -0.27 -0.53 3.57 -1.84 -1.77 116.94 121.91 3a13 h PHE 202 Ca -0.44 0.04 -0.08 0.00 3.53 0.00 0.00 57.97 61.03 3a13 h PHE 202 Cb 1.21 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 40.04 3a13 h PHE 202 CO 0.63 -0.14 -0.16 1.05 -2.23 0.00 0.00 178.31 177.46 3a13 h GLU 203 N 0.12 0.47 -0.18 1.11 9.09 -1.95 -0.34 114.58 122.89 3a13 h GLU 203 Ca 0.30 -0.14 -0.03 0.00 0.05 0.00 0.00 59.36 59.54 3a13 h GLU 203 Cb 0.47 -0.05 -0.01 0.00 -1.65 0.00 0.00 28.75 27.51 3a13 h GLU 203 CO -0.49 0.61 -0.01 0.93 0.05 0.00 0.00 179.01 180.11 3a13 h GLU 204 N 0.43 0.31 0.00 1.06 5.08 -1.74 -1.74 114.58 117.98 3a13 h GLU 204 Ca 0.08 -0.10 -0.06 0.00 -1.00 0.00 0.00 59.36 58.27 3a13 h GLU 204 Cb 0.53 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 3a13 h GLU 204 CO 0.03 0.54 -0.28 0.07 -1.00 0.00 0.00 179.01 178.36 3a13 h ARG 205 N 0.06 0.00 -0.05 2.33 0.11 -1.19 -2.68 114.38 112.96 3a13 h ARG 205 Ca 0.05 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.12 3a13 h ARG 205 Cb 0.40 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.48 3a13 h ARG 205 CO 0.01 0.28 0.00 0.00 0.10 0.00 0.00 179.97 180.37 3a13 h ALA 206 N 1.72 0.07 -0.97 0.08 0.00 -0.88 -1.05 119.26 118.22 3a13 h ALA 206 Ca -0.00 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 54.80 3a13 h ALA 206 Cb 0.80 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.51 3a13 h ALA 206 CO 0.04 -0.27 0.63 0.93 0.00 0.00 0.00 179.25 180.58 3a13 h GLU 207 N -0.18 1.16 -0.29 0.00 5.08 -1.25 -0.82 114.58 118.28 3a13 h GLU 207 Ca 0.02 -0.07 -0.14 0.00 -1.00 0.00 0.00 59.36 58.17 3a13 h GLU 207 Cb 0.31 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 3a13 h GLU 207 CO 0.00 0.77 -0.37 0.82 -1.00 0.00 0.00 179.01 179.23 3a13 h ILE 208 N 1.19 1.29 -0.11 3.13 2.04 -1.41 -2.84 117.51 120.81 3a13 h ILE 208 Ca 0.40 -1.53 -0.17 0.00 1.00 0.00 0.00 64.86 64.56 3a13 h ILE 208 Cb 0.07 1.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.61 3a13 h ILE 208 CO -0.14 0.49 -0.65 0.24 0.00 0.00 0.00 178.15 178.10 3a13 h MET 209 N 0.56 0.42 0.17 2.37 2.86 -0.66 -1.64 114.93 118.99 3a13 h MET 209 Ca 0.05 -0.30 0.01 0.00 -2.06 0.00 0.00 59.70 57.40 3a13 h MET 209 Cb 0.89 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.58 3a13 h MET 209 CO 0.08 0.92 -0.20 0.00 1.06 0.00 0.00 176.91 178.77 3a13 h ALA 210 N 1.00 -0.38 -0.37 6.32 0.00 -1.10 0.17 119.26 124.89 3a13 h ALA 210 Ca -0.01 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 54.92 3a13 h ALA 210 Cb 1.20 0.30 -0.07 0.00 0.00 0.00 0.00 17.79 19.22 3a13 h ALA 210 CO 0.11 -0.75 -0.10 0.87 0.00 0.00 0.00 179.25 179.39 3a13 h LYS 211 N -0.41 -0.01 -0.21 0.00 6.56 -1.46 -1.86 116.57 119.18 3a13 h LYS 211 Ca 0.01 0.00 -0.12 0.00 -1.06 0.00 0.00 60.65 59.48 3a13 h LYS 211 Cb 0.41 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.05 3a13 h LYS 211 CO -0.07 -0.00 -0.38 0.82 -2.06 0.00 0.00 179.45 177.75 3a13 h ILE 212 N -0.01 1.30 -0.04 1.86 2.04 -1.02 -0.60 117.51 121.04 3a13 h ILE 212 Ca 0.18 -1.52 -0.01 0.00 1.00 0.00 0.00 64.86 64.51 3a13 h ILE 212 Cb 0.28 1.56 -0.00 0.00 -0.74 0.00 0.00 36.82 37.91 3a13 h ILE 212 CO -0.38 0.47 -0.01 0.40 0.00 0.00 0.00 178.15 178.63 3a13 h ILE 213 N 0.40 1.28 -0.44 -0.67 2.04 -0.50 0.27 117.51 119.89 3a13 h ILE 213 Ca 0.04 -0.86 0.08 0.00 1.00 0.00 0.00 64.86 65.12 3a13 h ILE 213 Cb 0.85 1.78 -0.07 0.00 -0.74 0.00 0.00 36.82 38.64 3a13 h ILE 213 CO 0.07 0.23 0.00 0.44 0.00 0.00 0.00 178.15 178.90 3a13 h ASP 214 N -0.25 -0.18 -0.45 1.72 3.32 -1.20 0.95 116.42 120.33 3a13 h ASP 214 Ca 0.01 0.10 -0.05 0.00 0.02 0.00 0.00 57.03 57.12 3a13 h ASP 214 Cb 0.38 0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.09 3a13 h ASP 214 CO 0.00 -0.05 0.10 0.50 -1.72 0.00 0.00 179.24 178.07 3a13 h LYS 215 N 0.11 0.72 -0.01 3.56 3.64 -1.03 0.62 116.57 124.19 3a13 h LYS 215 Ca 0.22 -0.18 -0.14 0.00 -1.27 0.00 0.00 60.65 59.27 3a13 h LYS 215 Cb 0.31 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 3a13 h LYS 215 CO -0.36 0.73 -0.65 0.28 -2.27 0.00 0.00 179.45 177.18 3a13 h VAL 216 N 0.59 1.45 -0.20 2.00 2.07 -0.61 -0.24 116.25 121.32 3a13 h VAL 216 Ca 0.14 -2.20 -0.12 0.00 0.82 0.00 0.00 66.70 65.34 3a13 h VAL 216 Cb 0.34 2.18 -0.00 0.00 -1.52 0.00 0.00 31.29 32.29 3a13 h VAL 216 CO 0.00 0.63 -0.33 -0.33 0.02 0.00 0.00 177.57 177.57 3a13 h GLU 217 N 0.04 0.58 -0.39 1.57 5.08 -0.68 -1.18 114.58 119.60 3a13 h GLU 217 Ca -0.01 -0.35 0.04 0.00 -1.00 0.00 0.00 59.36 58.04 3a13 h GLU 217 Cb 1.16 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.41 3a13 h GLU 217 CO 0.09 0.96 0.15 -0.97 -1.00 0.00 0.00 179.01 178.24 3a13 h ASN 218 N 0.25 0.19 0.82 1.42 -0.00 -0.72 0.04 115.58 117.58 3a13 h ASN 218 Ca 0.02 0.04 -0.13 0.00 -0.00 0.00 0.00 56.30 56.22 3a13 h ASN 218 Cb 0.92 0.01 -0.02 0.00 -0.00 0.00 0.00 38.32 39.23 3a13 h ASN 218 CO 0.08 0.15 -0.62 -0.33 -0.00 0.00 0.00 177.43 176.70 3a13 h GLU 219 N 0.33 0.00 0.00 6.67 5.08 -1.03 -3.37 114.58 122.26 3a13 h GLU 219 Ca 0.18 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.46 3a13 h GLU 219 Cb 0.14 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 3a13 h GLU 219 CO -0.16 0.62 -1.57 0.25 -1.00 0.00 0.00 179.01 177.15 3a13 n THR 220 N -3.60 0.27 -0.81 1.13 -2.24 -0.45 -4.99 114.28 103.59 3a13 n THR 220 Ca -0.00 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 3a13 n THR 220 Cb 0.66 -0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.76 3a13 n THR 220 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3a13 n GLY 221 N 2.08 1.07 3.82 3.38 0.00 -0.01 -5.02 105.19 110.51 3a13 n GLY 221 Ca -0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 3a13 n GLY 221 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3a13 s GLU 222 N -0.13 3.25 0.36 1.61 2.02 -1.26 -5.06 118.70 119.49 3a13 s GLU 222 Ca 0.00 -0.32 -0.26 0.00 0.02 0.00 0.00 54.97 54.41 3a13 s GLU 222 Cb 0.00 -3.01 -0.09 0.00 0.10 0.00 0.00 34.13 31.13 3a13 s GLU 222 CO 0.00 0.71 1.08 0.15 0.02 0.00 0.00 175.26 177.22 3a13 s LYS 223 N -1.42 4.31 0.19 1.61 -0.14 -1.26 -4.29 119.74 118.74 3a13 s LYS 223 Ca 0.20 1.65 0.05 0.00 -1.36 0.00 0.00 55.97 56.51 3a13 s LYS 223 Cb -0.12 -2.78 -0.05 0.00 -1.68 0.00 0.00 37.83 33.20 3a13 s LYS 223 CO 0.10 -0.04 -0.07 0.15 -0.76 0.00 0.00 175.35 174.72 3a13 s LYS 224 N -2.11 1.21 0.19 1.68 -0.14 -1.26 -4.86 119.74 114.45 3a13 s LYS 224 Ca 0.53 -1.56 -0.04 0.00 -1.36 0.00 0.00 55.97 53.54 3a13 s LYS 224 Cb -0.27 -0.69 0.02 0.00 -1.68 0.00 0.00 37.83 35.21 3a13 s LYS 224 CO 0.34 0.02 0.32 -2.37 -0.76 0.00 0.00 175.35 172.90 3a13 n THR 225 N -0.31 0.00 -3.55 2.17 5.66 -0.46 -5.00 114.28 112.79 3a13 n THR 225 Ca -0.08 -0.71 -0.05 0.00 -3.05 0.00 0.00 64.05 60.16 3a13 n THR 225 Cb 0.62 0.53 -0.07 0.00 -1.55 0.00 0.00 70.33 69.86 3a13 n THR 225 CO 0.00 0.00 0.00 0.86 -3.05 0.00 0.00 175.07 172.88 3a13 s TRP 226 N -4.72 -1.05 -0.85 1.09 -0.00 -1.26 -2.48 118.94 109.66 3a13 s TRP 226 Ca 0.12 1.67 -0.24 0.00 -0.00 0.00 0.00 56.10 57.64 3a13 s TRP 226 Cb -0.01 0.43 0.05 0.00 -0.00 0.00 0.00 33.47 33.94 3a13 s TRP 226 CO 0.08 -0.62 1.30 -0.06 -0.00 0.00 0.00 176.95 177.66 3a13 s PHE 227 N 2.71 2.47 -0.31 5.86 0.08 -0.16 -4.35 117.98 124.28 3a13 s PHE 227 Ca 0.02 -0.49 -0.20 0.00 0.12 0.00 0.00 56.93 56.38 3a13 s PHE 227 Cb -0.13 -4.60 -0.01 0.00 -0.57 0.00 0.00 43.02 37.71 3a13 s PHE 227 CO -0.16 -1.95 0.64 0.00 -0.10 0.00 0.00 175.22 173.65 3a13 s ALA 228 N 5.09 3.53 -0.60 5.36 0.00 -1.26 -1.83 121.76 132.05 3a13 s ALA 228 Ca 0.38 -0.64 -0.28 0.00 0.00 0.00 0.00 51.96 51.42 3a13 s ALA 228 Cb -0.06 -3.11 0.03 0.00 0.00 0.00 0.00 23.12 19.98 3a13 s ALA 228 CO 0.03 -1.09 1.21 1.21 0.00 0.00 0.00 175.76 177.13 3a13 s ASN 229 N 1.64 6.41 0.00 0.00 2.47 -1.26 0.25 114.94 124.45 3a13 s ASN 229 Ca 0.25 0.06 0.26 0.00 0.42 0.00 0.00 52.86 53.85 3a13 s ASN 229 Cb -0.15 -2.55 0.70 0.00 -1.45 0.00 0.00 41.25 37.79 3a13 s ASN 229 CO 0.12 -1.53 1.54 2.30 -3.72 0.00 0.00 177.10 175.81 3a13 n ILE 230 N 6.65 0.00 -1.51 -5.21 -5.35 -0.47 -4.76 119.36 108.72 3a13 n ILE 230 Ca 0.08 -0.02 -0.59 0.00 -0.27 0.00 0.00 62.75 61.94 3a13 n ILE 230 Cb 0.49 0.14 -0.08 0.00 -1.74 0.00 0.00 39.64 38.45 3a13 n ILE 230 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 3a13 n THR 231 N -1.34 0.00 -0.39 7.28 -1.04 -1.26 -4.44 114.28 113.10 3a13 n THR 231 Ca 0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.08 3a13 n THR 231 Cb 0.33 -0.02 0.00 0.00 -1.82 0.00 0.00 70.33 68.82 3a13 n THR 231 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3a13 n ALA 232 N 1.61 0.00 -1.07 2.41 0.00 -1.26 -4.85 120.51 117.36 3a13 n ALA 232 Ca 0.20 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.31 3a13 n ALA 232 Cb 0.07 0.00 0.12 0.00 0.00 0.00 0.00 19.45 19.64 3a13 n ALA 232 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3a13 n ASP 233 N 1.02 0.10 -0.08 0.00 8.00 -1.26 -4.69 116.55 119.64 3a13 n ASP 233 Ca 0.00 0.54 -0.14 0.00 0.71 0.00 0.00 54.79 55.90 3a13 n ASP 233 Cb 0.00 -1.41 -0.10 0.00 -0.02 0.00 0.00 41.12 39.59 3a13 n ASP 233 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3a13 h LEU 234 N -0.95 -1.80 -0.43 0.64 5.85 -1.99 -1.07 115.31 115.56 3a13 h LEU 234 Ca -0.46 0.23 0.09 0.00 0.84 0.00 0.00 57.88 58.58 3a13 h LEU 234 Cb 1.30 0.72 -0.08 0.00 0.37 0.00 0.00 40.66 42.98 3a13 h LEU 234 CO 0.43 -0.44 -0.06 -0.07 -0.34 0.00 0.00 178.44 177.96 3a13 h LEU 235 N -0.48 -0.31 -1.69 2.25 4.07 -2.00 0.81 115.31 117.95 3a13 h LEU 235 Ca 0.05 0.12 -0.01 0.00 0.08 0.00 0.00 57.88 58.12 3a13 h LEU 235 Cb 0.63 0.23 -0.01 0.00 1.08 0.00 0.00 40.66 42.60 3a13 h LEU 235 CO -0.52 -0.11 0.08 -0.33 -1.08 0.00 0.00 178.44 176.48 3a13 h GLU 236 N 0.04 0.28 -0.42 1.13 3.07 -1.82 -1.53 114.58 115.33 3a13 h GLU 236 Ca 0.21 -0.03 -0.13 0.00 -0.50 0.00 0.00 59.36 58.92 3a13 h GLU 236 Cb 0.32 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.16 3a13 h GLU 236 CO -0.41 0.24 -0.24 0.52 -1.40 0.00 0.00 179.01 177.71 3a13 h MET 237 N 0.28 0.87 -0.38 2.33 2.86 0.40 -0.95 114.93 120.34 3a13 h MET 237 Ca 0.07 -0.37 -0.02 0.00 -2.06 0.00 0.00 59.70 57.32 3a13 h MET 237 Cb 0.06 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.67 3a13 h MET 237 CO -0.01 1.01 0.15 0.93 1.06 0.00 0.00 176.91 180.06 3a13 h GLU 238 N 0.75 0.58 -0.70 1.72 5.08 -0.60 -0.64 114.58 120.77 3a13 h GLU 238 Ca 0.10 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 3a13 h GLU 238 Cb 0.79 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.91 3a13 h GLU 238 CO 0.07 0.56 0.36 1.96 -1.00 0.00 0.00 179.01 180.95 3a13 h GLN 239 N 0.48 0.99 -0.25 2.33 4.20 -1.15 -1.56 115.11 120.14 3a13 h GLN 239 Ca 0.13 -0.13 -0.09 0.00 0.06 0.00 0.00 58.65 58.62 3a13 h GLN 239 Cb 0.20 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 3a13 h GLN 239 CO -0.01 0.76 -0.22 0.00 -0.67 0.00 0.00 178.83 178.69 3a13 h ARG 240 N 0.97 0.47 -0.63 1.46 3.08 -1.00 -0.98 114.38 117.75 3a13 h ARG 240 Ca 0.24 -0.17 -0.08 0.00 0.07 0.00 0.00 59.98 60.05 3a13 h ARG 240 Cb 0.07 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 3a13 h ARG 240 CO -0.04 0.67 0.07 -0.07 -1.07 0.00 0.00 179.97 179.53 3a13 h LEU 241 N 0.42 1.02 -0.35 3.04 3.38 -0.74 -2.52 115.31 119.56 3a13 h LEU 241 Ca 0.07 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.75 3a13 h LEU 241 Cb 0.62 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 3a13 h LEU 241 CO 0.04 1.03 0.09 -0.08 0.09 0.00 0.00 178.44 179.61 3a13 h GLU 242 N 0.98 0.55 -0.53 1.13 4.81 -0.77 -0.39 114.58 120.36 3a13 h GLU 242 Ca 0.19 -0.13 0.10 0.00 -0.13 0.00 0.00 59.36 59.39 3a13 h GLU 242 Cb 0.47 -0.07 -0.09 0.00 0.63 0.00 0.00 28.75 29.69 3a13 h GLU 242 CO 0.02 0.60 0.02 0.28 -0.73 0.00 0.00 179.01 179.20 3a13 h VAL 243 N 0.40 0.60 -0.46 0.32 2.07 -1.17 0.18 116.25 118.19 3a13 h VAL 243 Ca 0.11 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.58 3a13 h VAL 243 Cb 0.29 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 3a13 h VAL 243 CO 0.00 0.03 0.30 -0.07 0.02 0.00 0.00 177.57 177.85 3a13 h LEU 244 N 0.14 0.53 -0.31 2.57 3.38 -0.97 -2.50 115.31 118.15 3a13 h LEU 244 Ca 0.27 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.19 3a13 h LEU 244 Cb 0.41 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3a13 h LEU 244 CO -0.43 0.40 0.09 0.00 0.09 0.00 0.00 178.44 178.59 3a13 h ALA 245 N 1.16 0.40 0.00 1.53 0.00 -0.29 -2.14 119.26 119.92 3a13 h ALA 245 Ca 0.17 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3a13 h ALA 245 Cb -0.06 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 3a13 h ALA 245 CO -0.04 0.04 -0.03 -0.44 0.00 0.00 0.00 179.25 178.79 3a13 h ASP 246 N 0.34 0.00 0.14 0.00 3.32 -0.57 -1.98 116.42 117.67 3a13 h ASP 246 Ca 0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.15 3a13 h ASP 246 Cb 0.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.80 3a13 h ASP 246 CO -0.00 0.03 -0.25 0.18 -1.72 0.00 0.00 179.24 177.48 3a13 n LEU 247 N -3.96 1.35 -0.55 1.55 4.77 -0.95 -4.94 117.00 114.27 3a13 n LEU 247 Ca -0.03 -0.42 -0.07 0.00 -0.03 0.00 0.00 56.01 55.47 3a13 n LEU 247 Cb 0.11 -0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 41.10 3a13 n LEU 247 CO 0.29 0.25 -0.07 0.61 -1.33 0.00 0.00 177.39 177.14 3a13 n GLY 248 N 1.33 0.82 3.75 -0.72 0.00 -0.75 -4.96 105.19 104.67 3a13 n GLY 248 Ca 0.13 -0.73 -0.29 0.00 0.00 0.00 0.00 46.02 45.13 3a13 n GLY 248 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a13 s LEU 249 N -1.60 1.93 -0.00 0.99 1.43 -0.84 -5.02 118.68 115.57 3a13 s LEU 249 Ca 0.00 1.06 0.03 0.00 -1.03 0.00 0.00 54.13 54.20 3a13 s LEU 249 Cb 0.00 -3.37 -0.04 0.00 0.03 0.00 0.00 46.19 42.81 3a13 s LEU 249 CO 0.00 -2.68 0.11 0.29 0.23 0.00 0.00 176.35 174.30 3a13 n LYS 250 N -3.87 3.73 -4.07 1.70 5.02 -1.26 -4.78 118.16 114.63 3a13 n LYS 250 Ca 0.06 -0.01 -0.14 0.00 -2.02 0.00 0.00 58.31 56.20 3a13 n LYS 250 Cb 0.58 -0.81 -0.14 0.00 -0.02 0.00 0.00 35.03 34.64 3a13 n LYS 250 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3a13 s HIS 251 N -1.66 0.38 -0.08 2.13 3.76 -1.26 -1.36 115.29 117.20 3a13 s HIS 251 Ca 0.00 -0.15 0.05 0.00 -0.15 0.00 0.00 55.06 54.81 3a13 s HIS 251 Cb 0.02 -0.24 -0.01 0.00 1.11 0.00 0.00 32.58 33.46 3a13 s HIS 251 CO 0.13 -0.03 -0.24 0.00 -0.85 0.00 0.00 174.74 173.76 3a13 s ALA 252 N -0.35 2.19 -0.13 -1.40 0.00 0.53 -4.11 121.76 118.50 3a13 s ALA 252 Ca -0.01 -1.01 -0.07 0.00 0.00 0.00 0.00 51.96 50.87 3a13 s ALA 252 Cb -0.03 -0.75 -0.04 0.00 0.00 0.00 0.00 23.12 22.30 3a13 s ALA 252 CO -0.00 0.36 0.12 1.41 0.00 0.00 0.00 175.76 177.65 3a13 s MET 253 N 0.04 3.55 -0.02 0.00 0.00 0.14 0.41 119.30 123.41 3a13 s MET 253 Ca -0.10 -0.19 0.01 0.00 0.00 0.00 0.00 55.69 55.41 3a13 s MET 253 Cb -0.15 -3.18 0.01 0.00 0.00 0.00 0.00 34.83 31.50 3a13 s MET 253 CO 0.06 0.65 -0.04 0.08 0.00 0.00 0.00 175.02 175.77 3a13 s VAL 254 N -0.68 0.39 -0.99 10.11 1.01 -0.10 -1.36 120.40 128.78 3a13 s VAL 254 Ca 0.13 -0.12 -0.23 0.00 0.00 0.00 0.00 61.98 61.75 3a13 s VAL 254 Cb -0.12 -0.38 0.05 0.00 0.00 0.00 0.00 36.38 35.93 3a13 s VAL 254 CO 0.02 0.15 1.42 -1.81 0.00 0.00 0.00 175.10 174.89 3a13 s ASP 255 N 0.41 6.47 0.21 3.32 1.01 -1.26 -0.86 116.67 125.97 3a13 s ASP 255 Ca -0.05 -1.37 -0.07 0.00 0.71 0.00 0.00 52.55 51.77 3a13 s ASP 255 Cb -0.08 -2.56 0.17 0.00 1.01 0.00 0.00 42.92 41.45 3a13 s ASP 255 CO -0.00 -1.53 1.72 -0.37 0.21 0.00 0.00 175.17 175.20 3a13 h VAL 256 N 6.69 1.26 -0.38 -1.27 -1.51 -1.46 -0.38 116.25 119.20 3a13 h VAL 256 Ca 0.15 -1.01 -0.04 0.00 -1.23 0.00 0.00 66.70 64.57 3a13 h VAL 256 Cb 1.01 0.65 -0.02 0.00 -2.13 0.00 0.00 31.29 30.81 3a13 h VAL 256 CO 1.40 0.38 0.07 0.58 -1.23 0.00 0.00 177.57 178.77 3a13 h VAL 257 N 0.99 1.24 -0.35 7.19 2.07 -1.79 -1.78 116.25 123.81 3a13 h VAL 257 Ca 0.20 -0.83 -0.06 0.00 0.82 0.00 0.00 66.70 66.82 3a13 h VAL 257 Cb 0.42 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 3a13 h VAL 257 CO 0.01 0.28 -0.03 0.40 0.02 0.00 0.00 177.57 178.26 3a13 h ILE 258 N 0.47 1.27 -0.79 4.57 2.04 -1.67 -3.10 117.51 120.30 3a13 h ILE 258 Ca 0.12 -1.04 0.06 0.00 1.00 0.00 0.00 64.86 65.00 3a13 h ILE 258 Cb 0.35 1.23 -0.06 0.00 -0.74 0.00 0.00 36.82 37.60 3a13 h ILE 258 CO 0.01 0.34 0.47 0.74 0.00 0.00 0.00 178.15 179.71 3a13 h THR 259 N 0.45 1.00 0.00 -0.27 2.02 -0.94 -3.48 112.91 111.69 3a13 h THR 259 Ca 0.10 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 66.99 3a13 h THR 259 Cb 0.51 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.99 3a13 h THR 259 CO 0.02 0.15 0.00 0.61 0.37 0.00 0.00 175.52 176.68 3a13 n GLY 260 N -1.31 -0.52 0.12 2.16 0.00 -0.68 -4.69 105.19 100.27 3a13 n GLY 260 Ca 0.11 -1.72 -0.01 0.00 0.00 0.00 0.00 46.02 44.40 3a13 n GLY 260 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3a13 h TRP 261 N 0.00 0.00 -0.31 1.61 4.06 -1.89 -3.23 115.95 116.19 3a13 h TRP 261 Ca 0.00 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.93 3a13 h TRP 261 Cb 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.14 3a13 h TRP 261 CO 0.00 0.67 0.12 0.78 -3.56 0.00 0.00 178.44 176.46 3a13 h GLY 262 N 2.69 0.47 -0.16 1.49 0.00 -2.00 -3.27 103.07 102.29 3a13 h GLY 262 Ca -0.01 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.11 3a13 h GLY 262 CO 0.09 0.20 -0.06 0.00 0.00 0.00 0.00 176.54 176.77 3a13 n ALA 263 N -2.48 2.45 -0.14 3.60 0.00 -1.25 -4.75 120.51 117.94 3a13 n ALA 263 Ca 0.02 -0.33 -0.12 0.00 0.00 0.00 0.00 53.44 53.00 3a13 n ALA 263 Cb 0.13 -0.12 -0.01 0.00 0.00 0.00 0.00 19.45 19.46 3a13 n ALA 263 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3a13 h LEU 264 N 0.38 0.99 -0.68 0.00 5.85 -1.61 -0.79 115.31 119.46 3a13 h LEU 264 Ca 0.00 -0.43 -0.04 0.00 0.84 0.00 0.00 57.88 58.26 3a13 h LEU 264 Cb 0.11 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.84 3a13 h LEU 264 CO 0.00 1.20 0.27 -0.09 -0.34 0.00 0.00 178.44 179.48 3a13 h ARG 265 N 0.78 1.01 -0.68 1.25 2.43 -1.85 0.46 114.38 117.77 3a13 h ARG 265 Ca 0.09 -0.18 -0.00 0.00 -0.81 0.00 0.00 59.98 59.07 3a13 h ARG 265 Cb 0.86 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 30.21 3a13 h ARG 265 CO 0.08 0.84 0.41 -0.92 -1.51 0.00 0.00 179.97 178.87 3a13 h TYR 266 N 0.96 0.90 -0.66 2.20 3.20 -1.81 0.17 116.97 121.94 3a13 h TYR 266 Ca 0.23 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 62.02 3a13 h TYR 266 Cb 0.20 -0.30 -0.03 0.00 1.54 0.00 0.00 36.73 38.15 3a13 h TYR 266 CO 0.01 0.61 0.10 0.82 -1.64 0.00 0.00 178.16 178.07 3a13 h ILE 267 N 0.93 1.26 -0.39 1.81 1.08 -0.73 -0.41 117.51 121.06 3a13 h ILE 267 Ca 0.25 -1.04 -0.04 0.00 -0.39 0.00 0.00 64.86 63.64 3a13 h ILE 267 Cb -0.03 0.66 -0.02 0.00 -3.07 0.00 0.00 36.82 34.36 3a13 h ILE 267 CO -0.05 0.39 0.10 -0.09 -0.69 0.00 0.00 178.15 177.81 3a13 h ARG 268 N 1.01 0.62 -0.58 2.37 1.12 -0.55 -0.44 114.38 117.93 3a13 h ARG 268 Ca 0.20 -0.15 -0.02 0.00 -1.11 0.00 0.00 59.98 58.90 3a13 h ARG 268 Cb 0.44 -0.08 -0.03 0.00 -0.01 0.00 0.00 29.97 30.30 3a13 h ARG 268 CO 0.01 0.65 0.30 -0.44 -3.11 0.00 0.00 179.97 177.39 3a13 h ASP 269 N 0.49 0.75 -0.44 -3.80 3.32 -0.40 -0.73 116.42 115.60 3a13 h ASP 269 Ca 0.12 -0.11 -0.03 0.00 0.02 0.00 0.00 57.03 57.03 3a13 h ASP 269 Cb 0.31 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 3a13 h ASP 269 CO 0.00 0.65 0.15 0.25 -1.72 0.00 0.00 179.24 178.57 3a13 h LEU 270 N 0.79 0.63 -0.86 1.55 5.85 -0.84 -1.66 115.31 120.77 3a13 h LEU 270 Ca 0.20 -0.19 -0.06 0.00 0.84 0.00 0.00 57.88 58.67 3a13 h LEU 270 Cb 0.08 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 3a13 h LEU 270 CO -0.03 0.65 0.17 0.00 -0.34 0.00 0.00 178.44 178.89 3a13 h ALA 271 N 1.00 1.07 0.22 1.25 0.00 -0.90 -1.99 119.26 119.92 3a13 h ALA 271 Ca 0.14 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3a13 h ALA 271 Cb 0.23 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3a13 h ALA 271 CO -0.01 0.62 -0.16 0.00 0.00 0.00 0.00 179.25 179.70 3a13 h ALA 272 N 1.21 -0.36 -0.50 0.00 0.00 -0.83 0.12 119.26 118.88 3a13 h ALA 272 Ca 0.21 -0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.14 3a13 h ALA 272 Cb 0.33 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 3a13 h ALA 272 CO -0.00 -0.72 0.34 -0.44 0.00 0.00 0.00 179.25 178.43 3a13 h ASP 273 N -0.38 0.28 0.26 0.00 3.32 -1.12 0.25 116.42 119.02 3a13 h ASP 273 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3a13 h ASP 273 Cb 0.34 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.83 3a13 h ASP 273 CO -0.01 0.17 -0.02 -1.22 -1.72 0.00 0.00 179.24 176.44 3a13 n TYR 274 N -4.46 0.00 -1.90 4.55 4.01 -0.76 -4.91 117.16 113.68 3a13 n TYR 274 Ca 0.08 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.72 3a13 n TYR 274 Cb 0.35 -0.13 -0.02 0.00 -0.31 0.00 0.00 39.34 39.23 3a13 n TYR 274 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3a13 n GLY 275 N 1.16 0.33 3.73 2.72 0.00 0.87 -4.87 105.19 109.14 3a13 n GLY 275 Ca 0.19 -0.52 -0.35 0.00 0.00 0.00 0.00 46.02 45.33 3a13 n GLY 275 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a13 s LEU 276 N -2.57 4.12 0.35 0.99 1.43 0.33 -4.91 118.68 118.42 3a13 s LEU 276 Ca 0.00 0.23 -0.25 0.00 -1.03 0.00 0.00 54.13 53.08 3a13 s LEU 276 Cb 0.00 -2.05 -0.10 0.00 0.03 0.00 0.00 46.19 44.07 3a13 s LEU 276 CO 0.00 0.22 0.94 0.00 0.23 0.00 0.00 176.35 177.75 3a13 s ALA 277 N 0.08 3.17 -0.20 4.21 0.00 -0.47 -4.24 121.76 124.32 3a13 s ALA 277 Ca 0.08 0.49 -0.05 0.00 0.00 0.00 0.00 51.96 52.48 3a13 s ALA 277 Cb -0.12 -3.17 -0.03 0.00 0.00 0.00 0.00 23.12 19.81 3a13 s ALA 277 CO -0.00 0.17 0.01 0.42 0.00 0.00 0.00 175.76 176.36 3a13 s ILE 278 N -1.75 4.09 -0.31 0.00 1.01 -1.26 -0.35 121.20 122.64 3a13 s ILE 278 Ca 0.53 -0.27 -0.14 0.00 0.00 0.00 0.00 60.65 60.77 3a13 s ILE 278 Cb -0.16 -2.85 -0.03 0.00 0.01 0.00 0.00 42.46 39.43 3a13 s ILE 278 CO 0.21 0.43 0.32 -2.28 0.00 0.00 0.00 174.94 173.61 3a13 s HIS 279 N 0.94 3.22 -0.33 3.97 2.46 0.16 -1.97 115.29 123.76 3a13 s HIS 279 Ca 0.02 0.08 -0.17 0.00 0.47 0.00 0.00 55.06 55.46 3a13 s HIS 279 Cb -0.14 -2.57 -0.01 0.00 -0.13 0.00 0.00 32.58 29.73 3a13 s HIS 279 CO 0.02 -0.32 0.48 0.20 -2.47 0.00 0.00 174.74 172.64 3a13 s GLY 280 N 1.72 1.84 -0.11 1.59 0.00 0.17 -0.92 107.32 111.61 3a13 s GLY 280 Ca 0.11 -0.95 -0.10 0.00 0.00 0.00 0.00 44.72 43.77 3a13 s GLY 280 CO 0.11 1.19 0.23 -1.58 0.00 0.00 0.00 173.10 173.05 3a13 s HIS 281 N 2.29 3.58 -0.24 1.90 2.46 -0.04 -3.12 115.29 122.13 3a13 s HIS 281 Ca 0.18 0.62 0.14 0.00 0.47 0.00 0.00 55.06 56.47 3a13 s HIS 281 Cb -0.16 -2.12 0.82 0.00 -0.13 0.00 0.00 32.58 30.99 3a13 s HIS 281 CO 0.12 0.57 1.75 2.89 -2.47 0.00 0.00 174.74 177.60 3a13 n ARG 282 N 2.41 4.86 -1.55 2.88 1.85 -1.26 -1.10 116.66 124.76 3a13 n ARG 282 Ca -0.17 -3.17 -0.52 0.00 -1.00 0.00 0.00 57.85 53.00 3a13 n ARG 282 Cb 0.53 -2.26 -0.05 0.00 -1.05 0.00 0.00 32.46 29.63 3a13 n ARG 282 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3a13 n ALA 283 N 0.59 -1.71 0.00 2.89 0.00 -1.26 -1.28 120.51 119.73 3a13 n ALA 283 Ca 0.28 0.51 0.00 0.00 0.00 0.00 0.00 53.44 54.23 3a13 n ALA 283 Cb 1.20 -1.94 0.00 0.00 0.00 0.00 0.00 19.45 18.71 3a13 n ALA 283 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 3a13 n MET 284 N 1.82 0.00 -0.26 0.00 0.00 -1.26 -4.01 117.12 113.41 3a13 n MET 284 Ca 0.17 0.00 0.06 0.00 -0.00 0.00 0.00 57.70 57.93 3a13 n MET 284 Cb 0.19 0.00 0.19 0.00 0.00 0.00 0.00 33.22 33.60 3a13 n MET 284 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 175.97 177.09 3a13 h HIS 285 N 0.00 0.53 0.00 1.12 -0.00 -1.59 -0.76 115.15 114.45 3a13 h HIS 285 Ca 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 60.37 60.41 3a13 h HIS 285 Cb 0.00 -0.12 0.00 0.00 -0.00 0.00 0.00 27.41 27.29 3a13 h HIS 285 CO 0.00 0.07 0.00 0.00 -0.00 0.00 0.00 177.93 178.00 3a13 n ALA 286 N -2.51 1.32 0.26 6.11 0.00 -1.26 -0.24 120.51 124.19 3a13 n ALA 286 Ca 0.15 -0.02 0.14 0.00 0.00 0.00 0.00 53.44 53.71 3a13 n ALA 286 Cb 0.42 -1.06 0.63 0.00 0.00 0.00 0.00 19.45 19.45 3a13 n ALA 286 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3a13 h ALA 287 N 2.15 1.06 0.00 0.00 0.00 -1.55 -3.32 119.26 117.61 3a13 h ALA 287 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3a13 h ALA 287 Cb 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3a13 h ALA 287 CO 0.00 0.14 -0.17 1.97 0.00 0.00 0.00 179.25 181.19 3a13 n PHE 288 N -3.32 0.00 1.00 0.00 1.16 0.67 -4.82 117.46 112.15 3a13 n PHE 288 Ca -0.00 0.00 0.12 0.00 -1.87 0.00 0.00 57.45 55.69 3a13 n PHE 288 Cb 0.33 0.00 0.18 0.00 -1.61 0.00 0.00 39.48 38.38 3a13 n PHE 288 CO 0.00 0.00 0.00 0.25 -1.87 0.00 0.00 176.76 175.14 3a13 n THR 289 N -0.48 0.00 0.07 1.97 -2.24 -0.08 -1.80 114.28 111.73 3a13 n THR 289 Ca 0.00 -0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.57 3a13 n THR 289 Cb 0.00 0.39 -0.15 0.00 -2.10 0.00 0.00 70.33 68.47 3a13 n THR 289 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 3a13 h ARG 290 N 0.00 0.35 -6.45 -0.78 2.43 -1.80 -3.42 114.38 104.72 3a13 h ARG 290 Ca 0.00 -0.59 -0.57 0.00 -0.81 0.00 0.00 59.98 58.01 3a13 h ARG 290 Cb 0.50 0.22 -0.06 0.00 -0.42 0.00 0.00 29.97 30.22 3a13 h ARG 290 CO 0.00 1.24 0.96 1.21 -1.51 0.00 0.00 179.97 181.88 3a13 s ASN 291 N -7.18 6.64 0.00 -3.80 3.84 -1.26 -4.90 114.94 108.27 3a13 s ASN 291 Ca -0.13 0.98 0.13 0.00 0.21 0.00 0.00 52.86 54.04 3a13 s ASN 291 Cb 0.06 -2.54 0.63 0.00 -0.55 0.00 0.00 41.25 38.84 3a13 s ASN 291 CO 0.86 -1.15 1.34 -0.81 -2.79 0.00 0.00 177.10 174.55 3a13 n PRO 292 N 7.50 0.14 0.00 0.43 -0.04 -1.26 -2.12 135.00 139.65 3a13 n PRO 292 Ca 0.14 0.19 0.05 0.00 -0.04 0.00 0.00 63.50 63.85 3a13 n PRO 292 Cb 0.47 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.44 3a13 n PRO 292 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3a13 n TYR 293 N -1.33 0.00 -3.64 0.54 4.01 -1.26 -4.91 117.16 110.56 3a13 n TYR 293 Ca 0.05 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.73 3a13 n TYR 293 Cb 0.11 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.07 3a13 n TYR 293 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 3a13 s HIS 294 N -1.34 -0.89 -1.13 -0.72 2.46 -0.90 -2.83 115.29 109.94 3a13 s HIS 294 Ca 0.09 1.80 0.00 0.00 0.47 0.00 0.00 55.06 57.43 3a13 s HIS 294 Cb 0.09 0.53 0.00 0.00 -0.13 0.00 0.00 32.58 33.06 3a13 s HIS 294 CO 0.25 -0.44 0.00 0.41 -2.47 0.00 0.00 174.74 172.49 3a13 n GLY 295 N 4.00 0.34 2.90 1.59 0.00 -0.17 -4.21 105.19 109.64 3a13 n GLY 295 Ca -0.19 -1.78 -0.25 0.00 0.00 0.00 0.00 46.02 43.80 3a13 n GLY 295 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a13 s ILE 296 N -1.56 0.88 0.53 -0.61 1.01 -0.74 -0.87 121.20 119.84 3a13 s ILE 296 Ca 0.00 -0.23 -0.22 0.00 0.00 0.00 0.00 60.65 60.19 3a13 s ILE 296 Cb 0.00 -0.90 -0.05 0.00 0.01 0.00 0.00 42.46 41.52 3a13 s ILE 296 CO 0.00 0.33 1.37 -0.55 0.00 0.00 0.00 174.94 176.09 3a13 s SER 297 N 1.47 5.37 0.64 3.58 0.15 0.46 -3.78 113.70 121.60 3a13 s SER 297 Ca -0.00 2.80 0.38 0.00 0.70 0.00 0.00 55.95 59.83 3a13 s SER 297 Cb -0.13 -2.64 2.14 0.00 -1.71 0.00 0.00 66.02 63.68 3a13 s SER 297 CO -0.05 -1.51 2.28 -0.03 1.20 0.00 0.00 173.24 175.14 3a13 h MET 298 N 1.61 0.00 -0.58 5.44 4.05 -1.90 -2.25 114.93 121.30 3a13 h MET 298 Ca -0.51 0.00 -0.07 0.00 -0.28 0.00 0.00 59.70 58.84 3a13 h MET 298 Cb 1.29 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 32.07 3a13 h MET 298 CO 0.58 0.00 0.09 0.35 0.23 0.00 0.00 176.91 178.16 3a13 h PHE 299 N 0.00 1.03 -0.29 1.39 3.57 -1.89 -0.67 116.94 120.08 3a13 h PHE 299 Ca 0.01 -0.15 -0.02 0.00 3.53 0.00 0.00 57.97 61.34 3a13 h PHE 299 Cb 0.10 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.55 3a13 h PHE 299 CO 0.00 0.90 0.09 0.28 -2.23 0.00 0.00 178.31 177.35 3a13 h VAL 300 N 0.86 1.20 -0.33 1.41 2.07 -1.62 -2.13 116.25 117.70 3a13 h VAL 300 Ca 0.18 -0.62 0.02 0.00 0.82 0.00 0.00 66.70 67.10 3a13 h VAL 300 Cb 0.43 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 3a13 h VAL 300 CO 0.01 0.21 0.16 -0.07 0.02 0.00 0.00 177.57 177.90 3a13 h LEU 301 N 0.30 0.23 -0.27 2.57 3.38 -1.45 -1.04 115.31 119.03 3a13 h LEU 301 Ca 0.09 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.13 3a13 h LEU 301 Cb 0.23 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 40.91 3a13 h LEU 301 CO -0.00 0.17 -0.03 0.00 0.09 0.00 0.00 178.44 178.67 3a13 h ALA 302 N 1.18 0.22 -0.30 1.53 0.00 -1.04 0.31 119.26 121.15 3a13 h ALA 302 Ca 0.14 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3a13 h ALA 302 Cb 0.06 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3a13 h ALA 302 CO -0.10 -0.44 0.14 -0.22 0.00 0.00 0.00 179.25 178.63 3a13 h LYS 303 N 0.05 0.43 -0.63 0.00 3.64 -1.13 -1.39 116.57 117.55 3a13 h LYS 303 Ca 0.13 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.39 3a13 h LYS 303 Cb 0.18 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.90 3a13 h LYS 303 CO -0.25 0.41 0.16 -0.07 -2.27 0.00 0.00 179.45 177.44 3a13 h LEU 304 N 0.35 0.94 -0.67 5.20 3.38 -0.82 -1.06 115.31 122.63 3a13 h LEU 304 Ca 0.10 -0.23 -0.11 0.00 0.09 0.00 0.00 57.88 57.74 3a13 h LEU 304 Cb 0.12 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 3a13 h LEU 304 CO -0.01 0.92 -0.15 1.88 0.09 0.00 0.00 178.44 181.17 3a13 h TYR 305 N 0.92 0.98 -0.50 1.13 0.05 -0.28 -1.21 116.97 118.06 3a13 h TYR 305 Ca 0.20 -0.20 -0.02 0.00 0.05 0.00 0.00 58.73 58.75 3a13 h TYR 305 Cb 0.34 -0.24 -0.02 0.00 1.01 0.00 0.00 36.73 37.82 3a13 h TYR 305 CO 0.02 0.96 0.23 -0.09 -1.05 0.00 0.00 178.16 178.23 3a13 h ARG 306 N 0.78 0.74 0.19 4.88 2.43 -1.04 0.21 114.38 122.56 3a13 h ARG 306 Ca 0.12 -0.12 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3a13 h ARG 306 Cb 0.68 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.09 3a13 h ARG 306 CO 0.05 0.63 -0.13 -0.07 -1.51 0.00 0.00 179.97 178.94 3a13 h LEU 307 N 0.67 -0.34 -0.75 3.80 3.38 -0.92 -2.18 115.31 118.97 3a13 h LEU 307 Ca 0.17 0.03 0.11 0.00 0.09 0.00 0.00 57.88 58.27 3a13 h LEU 307 Cb 0.15 0.11 -0.08 0.00 0.09 0.00 0.00 40.66 40.93 3a13 h LEU 307 CO -0.02 -0.21 0.37 0.40 0.09 0.00 0.00 178.44 179.07 3a13 h ILE 308 N -0.32 0.82 0.00 1.22 2.04 -1.17 0.04 117.51 120.14 3a13 h ILE 308 Ca -0.01 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.64 3a13 h ILE 308 Cb 0.28 0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.52 3a13 h ILE 308 CO 0.00 0.11 0.00 0.61 0.00 0.00 0.00 178.15 178.87 3a13 n GLY 309 N -1.31 1.24 3.67 5.37 0.00 -0.31 -4.06 105.19 109.79 3a13 n GLY 309 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 3a13 n GLY 309 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a13 s ILE 310 N -1.32 4.37 0.25 -0.61 -1.09 -0.09 -4.18 121.20 118.53 3a13 s ILE 310 Ca 0.00 1.66 0.07 0.00 -2.23 0.00 0.00 60.65 60.15 3a13 s ILE 310 Cb 0.00 -4.07 -0.04 0.00 -1.58 0.00 0.00 42.46 36.77 3a13 s ILE 310 CO 0.00 -0.11 1.58 0.44 -1.23 0.00 0.00 174.94 175.62 3a13 h ASP 311 N 7.86 0.14 -3.63 3.58 3.32 -1.79 -3.42 116.42 122.47 3a13 h ASP 311 Ca -0.27 -0.08 -0.27 0.00 0.02 0.00 0.00 57.03 56.42 3a13 h ASP 311 Cb 1.11 -0.04 -0.31 0.00 0.22 0.00 0.00 39.33 40.31 3a13 h ASP 311 CO 0.95 0.73 -0.73 -1.10 -1.72 0.00 0.00 179.24 177.37 3a13 s GLN 312 N -3.66 0.03 -0.09 3.56 -0.21 -0.83 0.21 119.66 118.67 3a13 s GLN 312 Ca -0.03 0.07 -0.05 0.00 0.02 0.00 0.00 55.36 55.38 3a13 s GLN 312 Cb 0.12 -0.16 0.04 0.00 1.00 0.00 0.00 33.01 34.01 3a13 s GLN 312 CO 0.78 -0.07 0.21 -1.17 -2.12 0.00 0.00 175.29 172.91 3a13 s LEU 313 N 0.52 0.66 0.22 2.90 2.96 -0.56 0.45 118.68 125.83 3a13 s LEU 313 Ca -0.04 0.43 -0.31 0.00 -0.22 0.00 0.00 54.13 53.99 3a13 s LEU 313 Cb -0.07 0.61 -0.10 0.00 0.50 0.00 0.00 46.19 47.13 3a13 s LEU 313 CO -0.01 -0.14 1.53 -1.00 -1.32 0.00 0.00 176.35 175.41 3a13 s HIS 314 N 1.02 2.99 0.00 5.38 3.76 -1.18 0.44 115.29 127.70 3a13 s HIS 314 Ca -0.08 0.78 0.00 0.00 -0.15 0.00 0.00 55.06 55.61 3a13 s HIS 314 Cb -0.09 -3.92 0.00 0.00 1.11 0.00 0.00 32.58 29.68 3a13 s HIS 314 CO -0.06 -3.23 0.00 1.33 -0.85 0.00 0.00 174.74 171.93 3a13 n VAL 315 N 3.13 0.00 0.00 -0.90 0.24 0.14 -4.82 118.33 116.12 3a13 n VAL 315 Ca 0.11 -0.31 0.00 0.00 -2.04 0.00 0.00 64.34 62.10 3a13 n VAL 315 Cb 0.39 0.90 0.00 0.00 -1.47 0.00 0.00 33.84 33.66 3a13 n VAL 315 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3a13 n GLY 316 N 0.88 -0.68 0.00 7.63 0.00 -1.25 -4.57 105.19 107.20 3a13 n GLY 316 Ca 0.00 -2.20 0.00 0.00 0.00 0.00 0.00 46.02 43.82 3a13 n GLY 316 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3a13 n THR 317 N -0.04 0.00 0.00 2.61 -2.24 -1.26 -4.05 114.28 109.30 3a13 n THR 317 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3a13 n THR 317 Cb 0.00 -0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.04 3a13 n THR 317 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 3a13 n LYS 322 N -0.23 0.00 -5.00 -0.78 -0.00 -1.25 -4.71 118.16 106.19 3a13 n LYS 322 Ca 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 58.31 58.03 3a13 n LYS 322 Cb 0.00 -0.18 -0.16 0.00 -0.00 0.00 0.00 35.03 34.69 3a13 n LYS 322 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.40 176.92 3a13 s LEU 323 N 0.00 2.00 0.06 -5.58 2.34 -1.26 -4.82 118.68 111.42 3a13 s LEU 323 Ca 0.00 -0.39 -0.01 0.00 0.06 0.00 0.00 54.13 53.79 3a13 s LEU 323 Cb 0.00 -1.09 -0.01 0.00 -0.56 0.00 0.00 46.19 44.53 3a13 s LEU 323 CO 0.00 0.22 -0.05 -1.84 -1.06 0.00 0.00 176.35 173.62 3a13 n GLU 324 N 2.84 0.00 -4.16 1.48 0.28 -1.26 -5.13 120.64 114.69 3a13 n GLU 324 Ca -0.17 0.00 -0.10 0.00 -0.16 0.00 0.00 57.16 56.73 3a13 n GLU 324 Cb 0.53 -0.06 -0.10 0.00 1.43 0.00 0.00 31.44 33.24 3a13 n GLU 324 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 3a13 s GLU 326 N -0.12 0.94 0.01 3.44 2.12 -1.26 -5.00 118.70 118.84 3a13 s GLU 326 Ca 0.02 -1.45 -0.25 0.00 0.36 0.00 0.00 54.97 53.66 3a13 s GLU 326 Cb -0.01 0.15 -0.18 0.00 0.26 0.00 0.00 34.13 34.34 3a13 s GLU 326 CO 0.05 -0.23 1.35 -0.09 -0.54 0.00 0.00 175.26 175.81 3a13 h ARG 327 N 2.85 -0.08 -0.12 4.30 2.43 -2.00 -2.72 114.38 119.03 3a13 h ARG 327 Ca -0.35 0.01 -0.18 0.00 -0.81 0.00 0.00 59.98 58.64 3a13 h ARG 327 Cb 1.20 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.76 3a13 h ARG 327 CO 0.60 0.27 -0.67 0.22 -1.51 0.00 0.00 179.97 178.88 3a13 h ASP 328 N -0.44 0.58 0.13 -3.80 3.58 -1.98 -1.44 116.42 113.05 3a13 h ASP 328 Ca -0.01 -0.36 0.01 0.00 0.42 0.00 0.00 57.03 57.09 3a13 h ASP 328 Cb 0.39 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.25 3a13 h ASP 328 CO 0.01 1.09 -0.19 0.40 -2.88 0.00 0.00 179.24 177.68 3a13 h ILE 329 N 0.36 0.58 -0.90 2.25 2.04 -1.99 0.96 117.51 120.81 3a13 h ILE 329 Ca -0.02 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.86 3a13 h ILE 329 Cb 1.24 0.58 -0.05 0.00 -0.74 0.00 0.00 36.82 37.86 3a13 h ILE 329 CO 0.12 0.00 0.59 0.74 0.00 0.00 0.00 178.15 179.60 3a13 h THR 330 N -0.37 1.19 -0.48 -0.27 2.02 -1.38 -0.44 112.91 113.18 3a13 h THR 330 Ca 0.02 -0.40 -0.02 0.00 0.77 0.00 0.00 66.41 66.77 3a13 h THR 330 Cb 0.38 -0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 66.68 3a13 h THR 330 CO -0.08 0.22 0.21 0.40 0.37 0.00 0.00 175.52 176.63 3a13 h ILE 331 N 1.18 1.20 -0.40 3.11 2.04 -0.79 -1.74 117.51 122.11 3a13 h ILE 331 Ca 0.34 -0.61 -0.08 0.00 1.00 0.00 0.00 64.86 65.51 3a13 h ILE 331 Cb -0.07 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 36.69 3a13 h ILE 331 CO -0.09 0.23 -0.09 1.56 0.00 0.00 0.00 178.15 179.76 3a13 h GLN 332 N 0.64 0.70 -0.28 2.37 1.08 -0.37 -1.18 115.11 118.06 3a13 h GLN 332 Ca 0.16 -0.21 0.05 0.00 -1.45 0.00 0.00 58.65 57.20 3a13 h GLN 332 Cb 0.17 -0.07 -0.05 0.00 -0.05 0.00 0.00 27.48 27.48 3a13 h GLN 332 CO -0.02 0.78 -0.03 -0.91 -0.95 0.00 0.00 178.83 177.70 3a13 h ASN 333 N 0.64 -0.17 -0.19 1.46 2.35 -0.63 -0.75 115.58 118.28 3a13 h ASN 333 Ca 0.12 0.07 -0.11 0.00 -0.55 0.00 0.00 56.30 55.83 3a13 h ASN 333 Cb 0.53 0.14 -0.01 0.00 0.05 0.00 0.00 38.32 39.03 3a13 h ASN 333 CO 0.03 -0.05 -0.25 0.00 -1.65 0.00 0.00 177.43 175.51 3a13 h ALA 334 N 1.26 0.95 -0.18 -0.83 0.00 -1.06 -2.75 119.26 116.64 3a13 h ALA 334 Ca 0.14 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 3a13 h ALA 334 Cb 0.19 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3a13 h ALA 334 CO -0.26 0.61 0.02 0.00 0.00 0.00 0.00 179.25 179.63 3a13 h ARG 335 N 0.58 0.31 0.00 0.00 3.08 -0.72 -2.84 114.38 114.78 3a13 h ARG 335 Ca 0.08 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 3a13 h ARG 335 Cb 0.73 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.74 3a13 h ARG 335 CO 0.06 0.48 -0.03 0.97 -1.07 0.00 0.00 179.97 180.38 3a13 h ILE 336 N 0.09 0.08 0.00 2.04 6.09 -1.08 -1.16 117.51 123.58 3a13 h ILE 336 Ca 0.05 -0.46 -0.19 0.00 -1.37 0.00 0.00 64.86 62.90 3a13 h ILE 336 Cb 0.33 1.42 -0.03 0.00 0.47 0.00 0.00 36.82 39.01 3a13 h ILE 336 CO 0.00 0.03 -0.89 -0.07 -3.07 0.00 0.00 178.15 174.15 3a13 h LEU 337 N 0.00 0.00 0.00 2.19 3.38 -1.35 -3.42 115.31 116.11 3a13 h LEU 337 Ca -0.00 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.76 3a13 h LEU 337 Cb 0.41 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.13 3a13 h LEU 337 CO 0.00 0.89 -1.79 0.54 0.09 0.00 0.00 178.44 178.18 3a13 n ARG 338 N -3.41 0.77 -2.31 1.13 1.74 -0.81 -0.51 116.66 113.26 3a13 n ARG 338 Ca -0.00 0.06 -0.41 0.00 -0.77 0.00 0.00 57.85 56.73 3a13 n ARG 338 Cb 0.87 -1.28 -0.03 0.00 -1.02 0.00 0.00 32.46 31.00 3a13 n ARG 338 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3a13 s GLU 339 N -2.28 4.49 0.22 5.56 2.02 -0.50 -4.54 118.70 123.67 3a13 s GLU 339 Ca -0.16 1.97 0.11 0.00 0.02 0.00 0.00 54.97 56.91 3a13 s GLU 339 Cb 0.04 -3.17 0.12 0.00 0.10 0.00 0.00 34.13 31.22 3a13 s GLU 339 CO 0.35 -0.04 1.46 0.66 0.02 0.00 0.00 175.26 177.71 3a13 h SER 340 N 4.34 0.00 -2.99 -0.19 4.64 -1.91 -3.41 113.55 114.03 3a13 h SER 340 Ca -0.46 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.31 3a13 h SER 340 Cb 1.22 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.91 3a13 h SER 340 CO 0.70 0.73 -0.77 -2.28 -0.87 0.00 0.00 176.83 174.35 3a13 s HIS 341 N -3.14 0.93 -0.16 4.77 5.65 -1.26 -0.58 115.29 121.50 3a13 s HIS 341 Ca 0.01 -1.18 -0.16 0.00 0.25 0.00 0.00 55.06 53.97 3a13 s HIS 341 Cb 0.11 -1.22 -0.04 0.00 -1.18 0.00 0.00 32.58 30.24 3a13 s HIS 341 CO 0.77 -0.81 0.41 -0.47 -0.65 0.00 0.00 174.74 173.99 3a13 s TYR 342 N 1.89 3.45 -0.12 3.88 5.04 0.25 -4.96 117.35 126.78 3a13 s TYR 342 Ca 0.08 0.72 0.00 0.00 -2.44 0.00 0.00 57.07 55.43 3a13 s TYR 342 Cb -0.17 -2.50 0.02 0.00 0.35 0.00 0.00 41.96 39.67 3a13 s TYR 342 CO -0.28 0.11 -0.11 0.15 -1.34 0.00 0.00 175.55 174.08 3a13 s LYS 343 N 0.87 1.86 0.45 4.97 1.02 -1.26 -0.75 119.74 126.90 3a13 s LYS 343 Ca 0.21 -0.40 -0.24 0.00 0.02 0.00 0.00 55.97 55.57 3a13 s LYS 343 Cb -0.14 -1.75 -0.08 0.00 -0.52 0.00 0.00 37.83 35.34 3a13 s LYS 343 CO 0.08 -0.20 1.19 -1.25 -0.92 0.00 0.00 175.35 174.26 3a13 s PRO 344 N 1.42 3.79 0.67 -1.68 0.04 -1.26 -4.97 135.00 133.01 3a13 s PRO 344 Ca 0.01 1.86 -0.17 0.00 0.04 0.00 0.00 61.00 62.74 3a13 s PRO 344 Cb -0.13 -2.48 -0.06 0.00 0.04 0.00 0.00 34.50 31.87 3a13 s PRO 344 CO -0.07 -0.55 0.54 -0.25 0.04 0.00 0.00 177.00 176.72 3a13 n ASP 345 N -0.35 -1.09 -0.17 6.66 8.00 -1.26 -4.84 116.55 123.50 3a13 n ASP 345 Ca 0.07 0.64 0.21 0.00 0.71 0.00 0.00 54.79 56.42 3a13 n ASP 345 Cb 0.47 -1.21 0.59 0.00 -0.02 0.00 0.00 41.12 40.96 3a13 n ASP 345 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 3a13 h GLU 346 N -0.14 0.23 -0.65 -1.24 4.57 -2.02 -0.97 114.58 114.36 3a13 h GLU 346 Ca -0.46 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.71 3a13 h GLU 346 Cb 1.37 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.90 3a13 h GLU 346 CO 0.44 0.15 0.00 0.27 -1.18 0.00 0.00 179.01 178.69 3a13 n ASN 347 N -4.42 4.11 -4.54 1.04 0.23 -1.26 -4.88 115.26 105.55 3a13 n ASN 347 Ca 0.16 -2.51 -0.43 0.00 -0.53 0.00 0.00 54.58 51.27 3a13 n ASN 347 Cb 0.71 -0.57 -0.06 0.00 -2.08 0.00 0.00 39.78 37.78 3a13 n ASN 347 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3a13 s ASP 348 N -0.69 6.39 0.00 0.53 -1.08 -0.37 -4.91 116.67 116.55 3a13 s ASP 348 Ca 0.40 -0.14 0.27 0.00 -0.52 0.00 0.00 52.55 52.56 3a13 s ASP 348 Cb 0.28 -2.36 0.85 0.00 -1.46 0.00 0.00 42.92 40.23 3a13 s ASP 348 CO 0.15 -0.84 1.62 1.33 0.52 0.00 0.00 175.17 177.95 3a13 n VAL 349 N 6.00 0.00 -0.09 1.11 0.24 -1.26 -4.38 118.33 119.94 3a13 n VAL 349 Ca 0.01 -0.21 -0.09 0.00 -2.04 0.00 0.00 64.34 62.01 3a13 n VAL 349 Cb 0.48 0.52 -0.14 0.00 -1.47 0.00 0.00 33.84 33.23 3a13 n VAL 349 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 3a13 n PHE 350 N -0.15 0.00 -4.57 6.34 3.72 -1.26 -4.97 117.46 116.57 3a13 n PHE 350 Ca 0.15 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.26 3a13 n PHE 350 Cb 0.37 -0.87 -0.14 0.00 -0.94 0.00 0.00 39.48 37.90 3a13 n PHE 350 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 176.76 175.70 3a13 s HIS 351 N -2.43 2.30 0.23 1.38 3.76 -1.26 -4.30 115.29 114.97 3a13 s HIS 351 Ca -0.10 -0.39 0.07 0.00 -0.15 0.00 0.00 55.06 54.49 3a13 s HIS 351 Cb 0.05 -1.29 -0.04 0.00 1.11 0.00 0.00 32.58 32.41 3a13 s HIS 351 CO 0.71 0.26 0.12 -0.51 -0.85 0.00 0.00 174.74 174.48 3a13 s LEU 352 N -1.76 3.63 0.42 0.89 1.43 -1.26 -4.72 118.68 117.31 3a13 s LEU 352 Ca 0.13 -0.33 -0.26 0.00 -1.03 0.00 0.00 54.13 52.65 3a13 s LEU 352 Cb -0.10 -2.19 -0.10 0.00 0.03 0.00 0.00 46.19 43.84 3a13 s LEU 352 CO 0.05 0.00 1.33 1.21 0.23 0.00 0.00 176.35 179.17 3a13 n GLU 353 N -0.86 2.07 -3.66 1.70 2.13 -1.26 -4.63 120.64 116.14 3a13 n GLU 353 Ca -0.08 0.74 -0.06 0.00 0.66 0.00 0.00 57.16 58.41 3a13 n GLU 353 Cb 0.57 -2.46 -0.08 0.00 0.27 0.00 0.00 31.44 29.74 3a13 n GLU 353 CO 0.00 0.00 0.00 -1.14 -0.41 0.00 0.00 177.13 175.58 3a13 s GLN 354 N -2.24 0.39 0.10 5.31 2.00 0.07 -4.96 119.66 120.32 3a13 s GLN 354 Ca 0.60 1.15 -0.11 0.00 -2.00 0.00 0.00 55.36 55.00 3a13 s GLN 354 Cb -0.49 0.48 -0.06 0.00 0.80 0.00 0.00 33.01 33.73 3a13 s GLN 354 CO 0.58 -0.24 0.45 0.15 -0.50 0.00 0.00 175.29 175.73 3a13 s LYS 355 N 2.69 3.83 0.00 1.67 1.02 -1.26 -0.58 119.74 127.10 3a13 s LYS 355 Ca -0.03 0.28 0.06 0.00 0.02 0.00 0.00 55.97 56.30 3a13 s LYS 355 Cb -0.12 -2.98 -0.02 0.00 -0.52 0.00 0.00 37.83 34.19 3a13 s LYS 355 CO -0.14 0.54 0.42 1.19 -0.92 0.00 0.00 175.35 176.44 3a13 n PHE 356 N 0.89 0.00 0.00 3.18 3.72 0.26 -4.93 117.46 120.58 3a13 n PHE 356 Ca -0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 3a13 n PHE 356 Cb 0.52 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.06 3a13 n PHE 356 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3a13 n TYR 357 N -0.53 0.00 0.72 1.38 4.01 -1.25 -0.92 117.16 120.56 3a13 n TYR 357 Ca 0.02 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.88 3a13 n TYR 357 Cb 0.12 0.00 0.17 0.00 -0.31 0.00 0.00 39.34 39.32 3a13 n TYR 357 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 3a13 n SER 358 N 9.43 0.61 -4.62 7.72 3.41 -1.26 -4.87 113.62 124.03 3a13 n SER 358 Ca 0.00 -0.07 -0.43 0.00 -0.26 0.00 0.00 58.87 58.11 3a13 n SER 358 Cb 0.00 0.31 -0.03 0.00 -0.26 0.00 0.00 64.21 64.23 3a13 n SER 358 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 3a13 n ILE 359 N -1.86 0.50 -0.92 -1.33 2.08 -0.10 -4.96 119.36 112.77 3a13 n ILE 359 Ca 0.04 -0.35 -0.30 0.00 0.56 0.00 0.00 62.75 62.71 3a13 n ILE 359 Cb 0.40 -2.49 0.18 0.00 -0.75 0.00 0.00 39.64 36.98 3a13 n ILE 359 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 3a13 s LYS 360 N 5.68 0.59 0.35 0.38 1.02 -1.26 -4.93 119.74 121.57 3a13 s LYS 360 Ca 0.97 0.97 -0.25 0.00 0.02 0.00 0.00 55.97 57.67 3a13 s LYS 360 Cb -0.37 -1.72 -0.09 0.00 -0.52 0.00 0.00 37.83 35.13 3a13 s LYS 360 CO 0.38 -2.74 1.00 0.00 -0.92 0.00 0.00 175.35 173.07 3a13 s ALA 361 N -2.75 3.17 0.09 5.17 0.00 -1.26 -4.52 121.76 121.66 3a13 s ALA 361 Ca 0.65 0.63 -0.01 0.00 0.00 0.00 0.00 51.96 53.23 3a13 s ALA 361 Cb -0.21 -3.23 -0.04 0.00 0.00 0.00 0.00 23.12 19.63 3a13 s ALA 361 CO 0.59 -0.02 0.26 0.00 0.00 0.00 0.00 175.76 176.59 3a13 s ALA 362 N -1.60 3.95 -0.47 0.00 0.00 0.34 -1.63 121.76 122.35 3a13 s ALA 362 Ca 0.53 -0.77 -0.28 0.00 0.00 0.00 0.00 51.96 51.44 3a13 s ALA 362 Cb -0.21 -1.91 0.03 0.00 0.00 0.00 0.00 23.12 21.03 3a13 s ALA 362 CO 0.27 0.78 1.05 0.12 0.00 0.00 0.00 175.76 177.97 3a13 s PHE 363 N -1.56 2.87 0.30 0.00 2.19 0.13 -4.34 117.98 117.57 3a13 s PHE 363 Ca 0.37 0.59 -0.30 0.00 0.33 0.00 0.00 56.93 57.92 3a13 s PHE 363 Cb -0.13 -4.22 -0.11 0.00 -1.31 0.00 0.00 43.02 37.25 3a13 s PHE 363 CO 0.27 -1.19 1.55 -2.14 1.83 0.00 0.00 175.22 175.54 3a13 s PRO 364 N 4.15 4.15 -0.15 10.12 0.02 -1.26 -1.49 135.00 150.52 3a13 s PRO 364 Ca 0.43 2.53 -0.00 0.00 0.02 0.00 0.00 61.00 63.98 3a13 s PRO 364 Cb -0.08 -3.03 -0.01 0.00 0.02 0.00 0.00 34.50 31.40 3a13 s PRO 364 CO 0.29 -0.58 -0.14 0.99 -0.33 0.00 0.00 177.00 177.24 3a13 s THR 365 N -0.21 2.85 -0.17 0.99 2.01 0.17 -0.46 115.64 120.82 3a13 s THR 365 Ca 0.61 -0.71 -0.00 0.00 0.31 0.00 0.00 61.69 61.89 3a13 s THR 365 Cb -0.47 -2.21 0.00 0.00 0.01 0.00 0.00 72.50 69.83 3a13 s THR 365 CO 0.50 0.51 -0.14 -0.55 -0.69 0.00 0.00 174.62 174.25 3a13 s SER 366 N 0.73 3.69 -0.15 3.53 0.15 -0.20 -0.69 113.70 120.75 3a13 s SER 366 Ca -0.06 -0.48 -0.14 0.00 0.70 0.00 0.00 55.95 55.97 3a13 s SER 366 Cb -0.15 -1.58 0.04 0.00 -1.71 0.00 0.00 66.02 62.62 3a13 s SER 366 CO 0.01 0.06 0.40 -0.55 1.20 0.00 0.00 173.24 174.36 3a13 s SER 367 N 0.98 -0.42 0.00 5.45 0.15 -1.26 -2.14 113.70 116.47 3a13 s SER 367 Ca -0.02 0.81 0.00 0.00 0.70 0.00 0.00 55.95 57.44 3a13 s SER 367 Cb -0.15 0.81 0.00 0.00 -1.71 0.00 0.00 66.02 64.98 3a13 s SER 367 CO -0.03 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 174.88 3a13 n GLY 368 N 2.96 2.64 2.46 9.45 0.00 -1.26 -4.62 105.19 116.83 3a13 n GLY 368 Ca -0.14 -0.78 -0.04 0.00 0.00 0.00 0.00 46.02 45.06 3a13 n GLY 368 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a13 n GLY 369 N 0.00 0.62 3.79 -0.02 0.00 -1.26 -4.59 105.19 103.73 3a13 n GLY 369 Ca 0.00 -0.19 -0.37 0.00 0.00 0.00 0.00 46.02 45.46 3a13 n GLY 369 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a13 s LEU 370 N -1.00 4.34 0.20 0.99 1.43 -1.26 -4.80 118.68 118.58 3a13 s LEU 370 Ca 0.00 1.75 -0.08 0.00 -1.03 0.00 0.00 54.13 54.78 3a13 s LEU 370 Cb 0.00 -3.93 -0.02 0.00 0.03 0.00 0.00 46.19 42.27 3a13 s LEU 370 CO 0.00 -0.05 0.30 -1.38 0.23 0.00 0.00 176.35 175.45 3a13 s HIS 371 N -1.60 0.62 0.53 0.29 -3.43 -1.26 -3.50 115.29 106.95 3a13 s HIS 371 Ca 0.49 -0.94 0.36 0.00 -0.80 0.00 0.00 55.06 54.17 3a13 s HIS 371 Cb -0.18 -0.13 1.54 0.00 -1.43 0.00 0.00 32.58 32.37 3a13 s HIS 371 CO 0.23 -0.78 1.78 -1.35 -2.00 0.00 0.00 174.74 172.62 3a13 h PRO 372 N 2.48 0.03 -0.01 -0.38 0.11 -1.92 -1.84 132.00 130.47 3a13 h PRO 372 Ca -0.31 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 3a13 h PRO 372 Cb 1.24 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3a13 h PRO 372 CO 0.46 0.02 -0.36 0.41 -0.21 0.00 0.00 178.00 178.31 3a13 n GLY 373 N -1.76 -0.74 0.01 -0.55 0.00 -1.26 -4.11 105.19 96.79 3a13 n GLY 373 Ca 0.27 -0.42 0.01 0.00 0.00 0.00 0.00 46.02 45.88 3a13 n GLY 373 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3a13 n ASN 374 N -0.85 1.61 0.14 1.61 0.23 -0.70 -4.70 115.26 112.61 3a13 n ASN 374 Ca 0.10 -1.88 0.12 0.00 -0.53 0.00 0.00 54.58 52.39 3a13 n ASN 374 Cb 0.35 -0.03 0.19 0.00 -2.08 0.00 0.00 39.78 38.21 3a13 n ASN 374 CO 0.00 0.00 0.00 0.16 -0.93 0.00 0.00 177.26 176.49 3a13 h ILE 375 N 0.69 0.00 -0.68 1.53 3.07 -1.70 -3.34 117.51 117.08 3a13 h ILE 375 Ca 0.00 -0.79 -0.00 0.00 1.55 0.00 0.00 64.86 65.62 3a13 h ILE 375 Cb 0.64 1.60 -0.03 0.00 -0.27 0.00 0.00 36.82 38.76 3a13 h ILE 375 CO 0.00 0.00 0.41 -0.61 -1.05 0.00 0.00 178.15 176.90 3a13 h GLN 376 N 0.00 0.93 -0.19 0.16 -0.00 -1.84 -0.99 115.11 113.18 3a13 h GLN 376 Ca 0.00 -0.09 -0.02 0.00 -0.00 0.00 0.00 58.65 58.55 3a13 h GLN 376 Cb 0.89 -0.19 -0.01 0.00 0.00 0.00 0.00 27.48 28.17 3a13 h GLN 376 CO 0.00 0.66 0.06 -1.00 0.00 0.00 0.00 178.83 178.55 3a13 h PRO 377 N 0.93 0.30 -0.14 -2.39 0.13 -1.93 0.08 132.00 128.98 3a13 h PRO 377 Ca 0.24 -0.07 0.04 0.00 -0.87 0.00 0.00 66.00 65.35 3a13 h PRO 377 Cb -0.02 -0.04 -0.05 0.00 0.13 0.00 0.00 31.00 31.02 3a13 h PRO 377 CO -0.04 0.41 -0.15 0.28 -0.23 0.00 0.00 178.00 178.27 3a13 h VAL 378 N 0.13 0.60 -0.08 1.56 2.07 -1.67 1.17 116.25 120.03 3a13 h VAL 378 Ca 0.06 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.61 3a13 h VAL 378 Cb 0.24 0.60 -0.00 0.00 -1.52 0.00 0.00 31.29 30.60 3a13 h VAL 378 CO -0.00 0.00 0.06 0.40 0.02 0.00 0.00 177.57 178.05 3a13 h ILE 379 N -0.17 0.92 0.11 4.57 5.03 -0.97 0.73 117.51 127.72 3a13 h ILE 379 Ca 0.10 0.00 -0.28 0.00 -0.12 0.00 0.00 64.86 64.56 3a13 h ILE 379 Cb 0.32 0.96 -0.01 0.00 -3.03 0.00 0.00 36.82 35.06 3a13 h ILE 379 CO -0.25 0.00 -1.36 1.05 -0.68 0.00 0.00 178.15 176.91 3a13 h GLU 380 N 0.00 0.23 -0.17 2.37 4.11 0.67 1.00 114.58 122.79 3a13 h GLU 380 Ca 0.04 -0.39 -0.07 0.00 0.07 0.00 0.00 59.36 59.01 3a13 h GLU 380 Cb 0.16 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 3a13 h GLU 380 CO -0.00 1.13 -0.17 0.00 0.07 0.00 0.00 179.01 180.04 3a13 h ALA 381 N 0.59 0.24 0.00 1.06 0.00 0.24 -3.38 119.26 118.02 3a13 h ALA 381 Ca -0.18 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3a13 h ALA 381 Cb 1.98 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.71 3a13 h ALA 381 CO 0.17 0.15 -1.42 1.28 0.00 0.00 0.00 179.25 179.44 3a13 n LEU 382 N -4.51 0.10 0.00 0.00 4.77 0.25 -4.95 117.00 112.66 3a13 n LEU 382 Ca -0.06 -0.08 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 3a13 n LEU 382 Cb 0.38 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 3a13 n LEU 382 CO 0.40 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 3a13 n GLY 383 N 1.69 -1.81 0.09 -0.72 0.00 0.34 -4.62 105.19 100.17 3a13 n GLY 383 Ca -0.02 -1.81 0.10 0.00 0.00 0.00 0.00 46.02 44.29 3a13 n GLY 383 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3a13 n THR 384 N 0.00 0.00 -1.81 2.61 -2.24 -1.26 -4.37 114.28 107.20 3a13 n THR 384 Ca 0.00 -0.08 -0.40 0.00 -2.27 0.00 0.00 64.05 61.30 3a13 n THR 384 Cb 0.00 1.05 -0.01 0.00 -2.10 0.00 0.00 70.33 69.27 3a13 n THR 384 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3a13 n ASP 385 N -1.19 7.99 -4.23 3.42 8.00 -1.26 -3.17 116.55 126.11 3a13 n ASP 385 Ca 0.05 -2.97 -0.13 0.00 0.71 0.00 0.00 54.79 52.44 3a13 n ASP 385 Cb 0.33 -1.43 -0.10 0.00 -0.02 0.00 0.00 41.12 39.90 3a13 n ASP 385 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3a13 s ILE 386 N -0.03 0.76 -0.17 0.53 -4.36 -1.26 -4.23 121.20 112.43 3a13 s ILE 386 Ca 0.58 -1.98 -0.08 0.00 -0.26 0.00 0.00 60.65 58.91 3a13 s ILE 386 Cb 0.18 -2.00 -0.04 0.00 1.25 0.00 0.00 42.46 41.85 3a13 s ILE 386 CO -0.08 -0.59 0.09 -0.69 0.24 0.00 0.00 174.94 173.91 3a13 s VAL 387 N -3.60 5.06 -0.12 8.37 1.01 0.39 -1.85 120.40 129.66 3a13 s VAL 387 Ca 0.21 0.06 -0.03 0.00 0.00 0.00 0.00 61.98 62.22 3a13 s VAL 387 Cb 0.05 -3.27 -0.03 0.00 0.00 0.00 0.00 36.38 33.14 3a13 s VAL 387 CO 0.02 0.49 -0.01 -0.76 0.00 0.00 0.00 175.10 174.84 3a13 s LEU 388 N 0.04 3.45 -0.16 3.92 1.43 0.17 -1.04 118.68 126.49 3a13 s LEU 388 Ca 0.07 0.03 0.01 0.00 -1.03 0.00 0.00 54.13 53.22 3a13 s LEU 388 Cb -0.12 -1.81 0.01 0.00 0.03 0.00 0.00 46.19 44.31 3a13 s LEU 388 CO 0.00 0.29 -0.20 -1.58 0.23 0.00 0.00 176.35 175.09 3a13 s GLN 389 N -0.35 3.05 -0.31 1.70 -0.44 -0.91 -1.64 119.66 120.77 3a13 s GLN 389 Ca 0.06 -0.82 0.01 0.00 -2.50 0.00 0.00 55.36 52.11 3a13 s GLN 389 Cb -0.12 -2.53 0.09 0.00 -1.64 0.00 0.00 33.01 28.81 3a13 s GLN 389 CO 0.02 -0.08 0.05 -0.51 0.50 0.00 0.00 175.29 175.27 3a13 s LEU 390 N 1.00 3.23 0.00 3.68 1.02 -0.77 -4.13 118.68 122.71 3a13 s LEU 390 Ca -0.02 -1.75 0.00 0.00 0.02 0.00 0.00 54.13 52.38 3a13 s LEU 390 Cb -0.15 -1.20 0.00 0.00 0.02 0.00 0.00 46.19 44.86 3a13 s LEU 390 CO -0.05 -0.37 0.04 0.61 0.02 0.00 0.00 176.35 176.59 3a13 n GLY 391 N 4.60 1.39 0.28 -3.19 0.00 -1.26 -3.72 105.19 103.29 3a13 n GLY 391 Ca -0.02 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.03 3a13 n GLY 391 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3a13 h GLY 392 N 0.00 0.51 1.35 -0.02 0.00 -1.87 0.34 103.07 103.38 3a13 h GLY 392 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.09 3a13 h GLY 392 CO 0.00 0.23 0.00 0.61 0.00 0.00 0.00 176.54 177.38 3a13 n GLY 393 N -1.16 -0.56 0.69 4.60 0.00 -1.23 -1.43 105.19 106.10 3a13 n GLY 393 Ca 0.02 -0.06 -0.06 0.00 0.00 0.00 0.00 46.02 45.91 3a13 n GLY 393 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3a13 n THR 394 N -1.18 0.33 0.36 2.61 -1.04 -0.64 -4.45 114.28 110.28 3a13 n THR 394 Ca 0.07 -0.09 0.14 0.00 -2.04 0.00 0.00 64.05 62.13 3a13 n THR 394 Cb 0.07 -1.45 0.55 0.00 -1.82 0.00 0.00 70.33 67.68 3a13 n THR 394 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3a13 h LEU 395 N -0.19 0.00 -3.21 -4.42 3.38 -0.82 -3.01 115.31 107.05 3a13 h LEU 395 Ca -0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.82 3a13 h LEU 395 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 3a13 h LEU 395 CO -0.08 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.06 3a13 n GLY 396 N 0.17 3.61 3.73 0.83 0.00 -0.52 -4.18 105.19 108.85 3a13 n GLY 396 Ca 0.02 -0.89 -0.42 0.00 0.00 0.00 0.00 46.02 44.72 3a13 n GLY 396 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3a13 n HIS 397 N -0.10 2.74 0.26 1.61 -0.00 -1.13 -4.83 115.22 113.76 3a13 n HIS 397 Ca 0.20 0.30 0.18 0.00 -0.00 0.00 0.00 57.72 58.41 3a13 n HIS 397 Cb 0.84 -2.57 0.89 0.00 -0.00 0.00 0.00 29.99 29.15 3a13 n HIS 397 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 3a13 h PRO 398 N 4.51 0.00 -0.61 1.57 0.13 -1.93 0.23 132.00 135.89 3a13 h PRO 398 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3a13 h PRO 398 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 3a13 h PRO 398 CO 0.77 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.29 3a13 n ASP 399 N -3.41 4.62 0.00 1.44 8.00 -1.26 -5.07 116.55 120.87 3a13 n ASP 399 Ca 0.00 -2.46 0.00 0.00 0.71 0.00 0.00 54.79 53.04 3a13 n ASP 399 Cb 0.32 -0.56 0.00 0.00 -0.02 0.00 0.00 41.12 40.86 3a13 n ASP 399 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3a13 n GLY 400 N 0.98 1.94 0.25 0.44 0.00 0.80 -4.53 105.19 105.06 3a13 n GLY 400 Ca 0.25 -1.95 0.03 0.00 0.00 0.00 0.00 46.02 44.34 3a13 n GLY 400 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3a13 h PRO 401 N 0.00 0.31 -0.58 1.61 0.11 -1.77 -2.51 132.00 129.17 3a13 h PRO 401 Ca 0.00 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 66.10 3a13 h PRO 401 Cb 0.00 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 31.01 3a13 h PRO 401 CO 0.00 0.21 0.38 0.00 -0.21 0.00 0.00 178.00 178.38 3a13 h ALA 402 N 1.52 0.74 0.00 -0.75 0.00 -1.86 -1.49 119.26 117.41 3a13 h ALA 402 Ca 0.36 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.18 3a13 h ALA 402 Cb 0.55 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3a13 h ALA 402 CO -0.42 0.18 -0.24 0.00 0.00 0.00 0.00 179.25 178.77 3a13 h ALA 403 N 1.21 1.50 0.33 0.00 0.00 -1.71 -2.69 119.26 117.90 3a13 h ALA 403 Ca 0.21 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3a13 h ALA 403 Cb -0.09 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3a13 h ALA 403 CO -0.05 0.30 -0.16 0.78 0.00 0.00 0.00 179.25 180.12 3a13 h GLY 404 N 0.82 -0.46 0.25 0.00 0.00 -0.87 0.25 103.07 103.07 3a13 h GLY 404 Ca -0.00 0.17 0.04 0.00 0.00 0.00 0.00 47.33 47.54 3a13 h GLY 404 CO 0.03 -0.17 -0.29 0.00 0.00 0.00 0.00 176.54 176.11 3a13 h ALA 405 N 0.19 -0.34 -0.98 3.60 0.00 -1.25 0.13 119.26 120.60 3a13 h ALA 405 Ca -0.04 0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.01 3a13 h ALA 405 Cb 0.36 0.55 -0.08 0.00 0.00 0.00 0.00 17.79 18.61 3a13 h ALA 405 CO 0.07 -0.77 0.62 0.00 0.00 0.00 0.00 179.25 179.17 3a13 h ARG 406 N -0.39 0.89 -0.46 0.00 3.08 -1.12 0.74 114.38 117.13 3a13 h ARG 406 Ca 0.09 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 3a13 h ARG 406 Cb 0.52 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 3a13 h ARG 406 CO -0.31 0.59 0.23 0.00 -1.07 0.00 0.00 179.97 179.41 3a13 h ALA 407 N 1.56 0.59 -0.22 0.04 0.00 0.29 -1.36 119.26 120.15 3a13 h ALA 407 Ca 0.49 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.27 3a13 h ALA 407 Cb 0.56 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3a13 h ALA 407 CO -0.26 0.14 0.05 0.28 0.00 0.00 0.00 179.25 179.46 3a13 h VAL 408 N 0.60 1.21 0.00 0.00 2.07 0.66 -2.13 116.25 118.66 3a13 h VAL 408 Ca 0.16 -0.68 -0.02 0.00 0.82 0.00 0.00 66.70 66.98 3a13 h VAL 408 Cb 0.10 1.23 -0.00 0.00 -1.52 0.00 0.00 31.29 31.10 3a13 h VAL 408 CO -0.02 0.22 -0.08 0.03 0.02 0.00 0.00 177.57 177.73 3a13 h ARG 409 N 0.18 0.00 -0.09 1.57 2.47 -0.80 -1.91 114.38 115.79 3a13 h ARG 409 Ca 0.07 0.00 -0.09 0.00 -1.26 0.00 0.00 59.98 58.70 3a13 h ARG 409 Cb 0.28 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.60 3a13 h ARG 409 CO 0.00 0.08 -0.31 1.96 0.56 0.00 0.00 179.97 182.27 3a13 h GLN 410 N 0.00 0.38 -0.56 0.04 4.20 -0.92 -1.84 115.11 116.40 3a13 h GLN 410 Ca -0.00 -0.28 -0.00 0.00 0.06 0.00 0.00 58.65 58.43 3a13 h GLN 410 Cb 0.18 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 27.98 3a13 h GLN 410 CO 0.01 0.90 0.34 0.00 -0.67 0.00 0.00 178.83 179.41 3a13 h ALA 411 N 0.48 0.71 0.26 3.87 0.00 -1.04 0.31 119.26 123.84 3a13 h ALA 411 Ca -0.01 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3a13 h ALA 411 Cb 0.93 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 3a13 h ALA 411 CO 0.07 0.19 -0.17 0.82 0.00 0.00 0.00 179.25 180.16 3a13 h ILE 412 N 0.75 0.64 -0.94 0.00 2.04 -1.40 -0.60 117.51 118.00 3a13 h ILE 412 Ca 0.20 0.00 0.22 0.00 1.00 0.00 0.00 64.86 66.28 3a13 h ILE 412 Cb -0.02 0.64 -0.12 0.00 -0.74 0.00 0.00 36.82 36.59 3a13 h ILE 412 CO -0.04 0.00 0.50 0.44 0.00 0.00 0.00 178.15 179.05 3a13 h ASP 413 N -0.42 0.52 -0.13 1.72 3.32 -1.04 0.67 116.42 121.07 3a13 h ASP 413 Ca -0.02 0.14 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 3a13 h ASP 413 Cb 0.35 0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 3a13 h ASP 413 CO 0.02 0.08 0.06 0.00 -1.72 0.00 0.00 179.24 177.67 3a13 h ALA 414 N 1.70 0.17 -0.53 3.45 0.00 -0.11 -2.12 119.26 121.82 3a13 h ALA 414 Ca 0.59 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 55.33 3a13 h ALA 414 Cb 1.09 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 3a13 h ALA 414 CO -0.48 -0.25 0.02 0.82 0.00 0.00 0.00 179.25 179.36 3a13 h ILE 415 N 0.07 1.26 -0.67 0.00 2.04 0.02 0.52 117.51 120.75 3a13 h ILE 415 Ca 0.04 -1.06 0.07 0.00 1.00 0.00 0.00 64.86 64.92 3a13 h ILE 415 Cb 0.15 0.91 -0.04 0.00 -0.74 0.00 0.00 36.82 37.09 3a13 h ILE 415 CO -0.00 0.38 0.44 0.24 0.00 0.00 0.00 178.15 179.21 3a13 h MET 416 N 0.79 0.63 -0.02 2.37 2.86 -0.83 -2.00 114.93 118.72 3a13 h MET 416 Ca 0.15 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 3a13 h MET 416 Cb 0.49 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.01 3a13 h MET 416 CO 0.02 0.41 -0.04 1.04 1.06 0.00 0.00 176.91 179.41 3a13 n GLN 417 N -4.48 1.67 -1.60 1.72 6.02 -0.81 -4.94 117.38 114.97 3a13 n GLN 417 Ca 0.10 -1.07 -0.06 0.00 -0.01 0.00 0.00 57.00 55.96 3a13 n GLN 417 Cb 0.26 -1.48 -0.02 0.00 1.02 0.00 0.00 30.24 30.03 3a13 n GLN 417 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3a13 n GLY 418 N 1.22 0.52 3.40 1.08 0.00 -0.56 -5.01 105.19 105.84 3a13 n GLY 418 Ca 0.17 -0.71 -0.41 0.00 0.00 0.00 0.00 46.02 45.07 3a13 n GLY 418 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a13 s ILE 419 N -2.26 4.77 0.29 -0.61 1.01 0.07 -5.01 121.20 119.46 3a13 s ILE 419 Ca 0.00 -0.82 -0.26 0.00 0.00 0.00 0.00 60.65 59.57 3a13 s ILE 419 Cb 0.00 -3.67 -0.15 0.00 0.01 0.00 0.00 42.46 38.65 3a13 s ILE 419 CO 0.00 -0.27 0.64 -2.65 0.00 0.00 0.00 174.94 172.66 3a13 n PRO 420 N 5.05 0.54 -0.17 2.79 -0.02 -1.26 -4.36 135.00 137.56 3a13 n PRO 420 Ca -0.11 0.19 -0.08 0.00 -2.02 0.00 0.00 63.50 61.48 3a13 n PRO 420 Cb 0.46 -1.37 0.01 0.00 -0.02 0.00 0.00 33.50 32.58 3a13 n PRO 420 CO 0.00 0.00 0.00 1.37 1.98 0.00 0.00 175.50 178.85 3a13 h LEU 421 N 1.20 0.62 -1.05 2.45 -0.00 -1.95 -2.99 115.31 113.59 3a13 h LEU 421 Ca -0.35 -0.11 0.09 0.00 -0.00 0.00 0.00 57.88 57.51 3a13 h LEU 421 Cb 1.40 -0.16 -0.07 0.00 -0.00 0.00 0.00 40.66 41.83 3a13 h LEU 421 CO 0.56 0.55 0.63 0.44 -0.00 0.00 0.00 178.44 180.62 3a13 h ASP 422 N 0.64 0.96 0.24 0.17 3.32 -2.00 0.17 116.42 119.92 3a13 h ASP 422 Ca 0.17 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.23 3a13 h ASP 422 Cb 0.08 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.46 3a13 h ASP 422 CO -0.02 0.57 -0.11 -0.33 -1.72 0.00 0.00 179.24 177.62 3a13 h GLU 423 N 1.06 -0.31 -0.07 3.56 4.39 -1.89 -2.82 114.58 118.50 3a13 h GLU 423 Ca 0.45 0.02 0.02 0.00 0.34 0.00 0.00 59.36 60.19 3a13 h GLU 423 Cb 0.32 0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 29.04 3a13 h GLU 423 CO -0.20 -0.16 0.09 -0.92 -1.16 0.00 0.00 179.01 176.66 3a13 h TYR 424 N -0.38 0.00 -0.39 4.33 5.03 -0.99 -1.98 116.97 122.59 3a13 h TYR 424 Ca -0.03 0.00 -0.06 0.00 2.58 0.00 0.00 58.73 61.22 3a13 h TYR 424 Cb 0.29 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 38.55 3a13 h TYR 424 CO -0.04 0.00 -0.01 0.00 -1.32 0.00 0.00 178.16 176.79 3a13 h ALA 425 N 1.88 1.26 0.00 1.82 0.00 -0.46 -2.37 119.26 121.38 3a13 h ALA 425 Ca 0.03 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3a13 h ALA 425 Cb 0.22 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3a13 h ALA 425 CO -0.00 0.50 0.00 1.57 0.00 0.00 0.00 179.25 181.32 3a13 h LYS 426 N 0.60 0.00 -0.01 0.00 5.09 -1.41 -1.58 116.57 119.27 3a13 h LYS 426 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.86 3a13 h LYS 426 Cb 0.39 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.72 3a13 h LYS 426 CO 0.01 0.00 -0.56 2.41 -2.09 0.00 0.00 179.45 179.22 3a13 n THR 427 N -3.01 0.00 -3.59 0.07 -1.04 -1.05 -4.91 114.28 100.75 3a13 n THR 427 Ca -0.00 -0.22 -0.28 0.00 -2.04 0.00 0.00 64.05 61.51 3a13 n THR 427 Cb 0.22 1.10 -0.16 0.00 -1.82 0.00 0.00 70.33 69.68 3a13 n THR 427 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 3a13 s HIS 428 N -2.27 0.41 0.04 -1.42 4.02 -0.59 -5.06 115.29 110.43 3a13 s HIS 428 Ca 0.10 -0.71 -0.31 0.00 1.02 0.00 0.00 55.06 55.16 3a13 s HIS 428 Cb 0.13 -0.88 -0.17 0.00 -1.02 0.00 0.00 32.58 30.64 3a13 s HIS 428 CO 0.55 -0.69 1.39 1.57 1.02 0.00 0.00 174.74 178.58 3a13 h LYS 429 N 8.38 -1.09 -0.45 1.40 5.09 -1.90 -1.63 116.57 126.37 3a13 h LYS 429 Ca -0.17 0.07 0.09 0.00 0.09 0.00 0.00 60.65 60.73 3a13 h LYS 429 Cb 1.07 0.25 -0.08 0.00 0.10 0.00 0.00 32.23 33.57 3a13 h LYS 429 CO 0.38 -0.73 -0.04 0.93 -2.09 0.00 0.00 179.45 177.90 3a13 h GLU 430 N -1.20 0.07 -0.89 0.07 3.07 -1.93 0.19 114.58 113.95 3a13 h GLU 430 Ca -0.12 -0.00 0.05 0.00 -0.50 0.00 0.00 59.36 58.79 3a13 h GLU 430 Cb 0.87 -0.01 -0.06 0.00 -0.84 0.00 0.00 28.75 28.70 3a13 h GLU 430 CO 0.19 0.04 0.56 1.25 -1.40 0.00 0.00 179.01 179.66 3a13 h LEU 431 N 0.07 0.91 -0.21 1.33 5.85 -1.80 -0.10 115.31 121.36 3a13 h LEU 431 Ca 0.22 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.91 3a13 h LEU 431 Cb 0.34 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 3a13 h LEU 431 CO -0.41 0.59 -0.03 0.00 -0.34 0.00 0.00 178.44 178.26 3a13 h ALA 432 N 1.40 0.28 -0.85 1.25 0.00 -0.12 -1.64 119.26 119.58 3a13 h ALA 432 Ca 0.38 -0.23 0.08 0.00 0.00 0.00 0.00 54.91 55.13 3a13 h ALA 432 Cb 0.12 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.77 3a13 h ALA 432 CO -0.16 0.04 0.51 0.00 0.00 0.00 0.00 179.25 179.64 3a13 h ARG 433 N 0.12 0.87 -0.18 0.00 2.47 -0.47 -0.76 114.38 116.43 3a13 h ARG 433 Ca 0.06 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3a13 h ARG 433 Cb 0.46 -0.20 -0.01 0.00 -1.65 0.00 0.00 29.97 28.57 3a13 h ARG 433 CO 0.02 0.57 0.12 0.00 0.56 0.00 0.00 179.97 181.24 3a13 h ALA 434 N 1.43 0.23 -0.24 0.04 0.00 -0.74 -2.06 119.26 117.92 3a13 h ALA 434 Ca 0.39 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.26 3a13 h ALA 434 Cb 0.27 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3a13 h ALA 434 CO -0.21 -0.29 0.02 -0.07 0.00 0.00 0.00 179.25 178.70 3a13 h LEU 435 N 0.25 0.32 0.10 0.00 4.07 -0.78 -2.50 115.31 116.77 3a13 h LEU 435 Ca 0.07 -0.04 0.02 0.00 0.08 0.00 0.00 57.88 58.00 3a13 h LEU 435 Cb -0.03 -0.08 -0.03 0.00 1.08 0.00 0.00 40.66 41.60 3a13 h LEU 435 CO -0.01 0.37 -0.22 -0.33 -1.08 0.00 0.00 178.44 177.17 3a13 h GLU 436 N 0.35 -0.38 0.39 1.13 5.08 -0.47 -3.18 114.58 117.50 3a13 h GLU 436 Ca 0.08 0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 3a13 h GLU 436 Cb 0.21 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.55 3a13 h GLU 436 CO 0.00 -0.26 -0.19 -0.22 -1.00 0.00 0.00 179.01 177.35 3a13 h LYS 437 N -0.40 -0.50 0.18 2.33 3.64 -1.15 -3.40 116.57 117.27 3a13 h LYS 437 Ca 0.03 0.03 -0.32 0.00 -1.27 0.00 0.00 60.65 59.13 3a13 h LYS 437 Cb 0.43 0.11 0.02 0.00 -0.41 0.00 0.00 32.23 32.38 3a13 h LYS 437 CO -0.13 -0.19 -1.46 -1.49 -2.27 0.00 0.00 179.45 173.91 3a13 h TRP 438 N -0.96 0.70 0.00 1.91 6.55 -1.55 -3.50 115.95 119.11 3a13 h TRP 438 Ca -0.05 -0.51 0.00 0.00 0.95 0.00 0.00 58.89 59.28 3a13 h TRP 438 Cb 0.54 -0.03 0.00 0.00 -0.86 0.00 0.00 29.16 28.81 3a13 h TRP 438 CO 0.02 1.46 0.00 0.41 -1.05 0.00 0.00 178.44 179.29 3a13 n GLY 439 N 1.67 0.86 1.17 1.49 0.00 -1.20 -4.22 105.19 104.95 3a13 n GLY 439 Ca -0.15 -0.67 0.04 0.00 0.00 0.00 0.00 46.02 45.23 3a13 n GLY 439 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3a13 n HIS 440 N 0.26 0.17 -3.43 1.61 -0.00 -1.26 -4.70 115.22 107.86 3a13 n HIS 440 Ca 0.00 -1.10 -0.38 0.00 -0.00 0.00 0.00 57.72 56.25 3a13 n HIS 440 Cb 0.00 -0.21 -0.06 0.00 -0.00 0.00 0.00 29.99 29.72 3a13 n HIS 440 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.34 176.48 3a13 s VAL 441 N -1.83 4.94 -0.17 1.59 -7.23 -1.26 -4.99 120.40 111.45 3a13 s VAL 441 Ca 0.36 0.92 -0.19 0.00 -1.81 0.00 0.00 61.98 61.26 3a13 s VAL 441 Cb 0.38 -3.76 -0.03 0.00 0.56 0.00 0.00 36.38 33.53 3a13 s VAL 441 CO -0.11 0.53 0.55 0.42 -0.31 0.00 0.00 175.10 176.18 3a13 s THR 442 N -1.14 5.10 -1.10 5.32 -4.23 -1.26 -5.00 115.64 113.33 3a13 s THR 442 Ca 0.27 1.05 -0.23 0.00 -1.18 0.00 0.00 61.69 61.60 3a13 s THR 442 Cb -0.17 -3.88 -0.09 0.00 1.34 0.00 0.00 72.50 69.70 3a13 s THR 442 CO 0.16 0.20 1.96 -2.16 -0.54 0.00 0.00 174.62 174.24 3a13 s PRO 443 N 1.43 2.39 0.00 3.99 0.04 -1.26 -4.84 135.00 136.75 3a13 s PRO 443 Ca 0.27 -0.87 0.32 0.00 0.04 0.00 0.00 61.00 60.75 3a13 s PRO 443 Cb -0.16 -5.17 1.83 0.00 0.04 0.00 0.00 34.50 31.05 3a13 s PRO 443 CO 0.11 -3.97 2.19 1.33 0.04 0.00 0.00 177.00 176.70