#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a13 n TYR 9 N 0.00 0.01 0.00 4.28 4.01 -1.26 -4.31 117.16 119.89 3a13 n TYR 9 Ca 0.00 -0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3a13 n TYR 9 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 3a13 n TYR 9 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3a13 n ASP 10 N -0.82 0.00 0.01 7.72 8.00 -1.26 -1.09 116.55 129.10 3a13 n ASP 10 Ca 0.20 0.22 -0.05 0.00 0.71 0.00 0.00 54.79 55.87 3a13 n ASP 10 Cb 0.11 -0.22 0.15 0.00 -0.02 0.00 0.00 41.12 41.15 3a13 n ASP 10 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 3a13 h TYR 11 N 0.00 0.58 -0.16 1.24 3.20 -1.96 -3.11 116.97 116.77 3a13 h TYR 11 Ca 0.00 -0.15 0.00 0.00 3.14 0.00 0.00 58.73 61.72 3a13 h TYR 11 Cb 0.00 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.14 3a13 h TYR 11 CO 0.00 0.78 0.00 0.66 -1.64 0.00 0.00 178.16 177.96 3a13 n TYR 12 N -4.06 0.24 -4.59 -3.82 4.01 -0.25 -4.71 117.16 103.97 3a13 n TYR 12 Ca -0.01 -0.11 -0.33 0.00 -0.16 0.00 0.00 57.90 57.29 3a13 n TYR 12 Cb 0.47 -0.02 -0.14 0.00 -0.31 0.00 0.00 39.34 39.34 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 -1.75 3.10 -0.38 -0.72 1.01 -1.18 -0.96 120.40 119.52 3a13 s VAL 13 Ca 0.11 -0.63 0.04 0.00 0.00 0.00 0.00 61.98 61.50 3a13 s VAL 13 Cb 0.06 -2.32 0.16 0.00 0.00 0.00 0.00 36.38 34.28 3a13 s VAL 13 CO 0.07 0.51 0.43 -0.62 0.00 0.00 0.00 175.10 175.49 3a13 s ASP 14 N 0.57 0.57 0.00 3.32 -1.08 -0.57 -4.92 116.67 114.55 3a13 s ASP 14 Ca -0.07 -1.38 0.14 0.00 -0.52 0.00 0.00 52.55 50.71 3a13 s ASP 14 Cb -0.15 0.87 0.69 0.00 -1.46 0.00 0.00 42.92 42.87 3a13 s ASP 14 CO 0.03 -0.24 1.35 0.29 0.52 0.00 0.00 175.17 177.12 3a13 n LYS 15 N 4.31 0.20 0.00 4.34 5.02 -1.26 -2.25 118.16 128.52 3a13 n LYS 15 Ca 0.11 0.15 0.10 0.00 -2.02 0.00 0.00 58.31 56.65 3a13 n LYS 15 Cb 0.48 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.95 3a13 n LYS 15 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3a13 n GLY 16 N -0.14 -0.24 3.74 0.72 0.00 -1.26 -4.89 105.19 103.12 3a13 n GLY 16 Ca 0.07 -0.57 -0.41 0.00 0.00 0.00 0.00 46.02 45.10 3a13 n GLY 16 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3a13 s TYR 17 N -2.44 3.31 -0.26 1.61 5.04 -0.95 -5.03 117.35 118.64 3a13 s TYR 17 Ca 0.14 1.31 -0.06 0.00 -2.44 0.00 0.00 57.07 56.02 3a13 s TYR 17 Cb 0.16 -3.54 -0.00 0.00 0.35 0.00 0.00 41.96 38.92 3a13 s TYR 17 CO 0.60 -1.62 0.03 -1.21 -1.34 0.00 0.00 175.55 172.01 3a13 s GLU 18 N -0.23 3.29 0.45 4.97 8.01 -1.26 -4.91 118.70 129.02 3a13 s GLU 18 Ca 0.55 -0.70 -0.25 0.00 0.01 0.00 0.00 54.97 54.58 3a13 s GLU 18 Cb -0.35 -3.21 -0.08 0.00 -4.31 0.00 0.00 34.13 26.18 3a13 s GLU 18 CO 0.38 -0.30 1.35 -1.25 0.01 0.00 0.00 175.26 175.45 3a13 s PRO 19 N 1.51 3.69 -0.28 0.39 0.04 -1.26 -4.98 135.00 134.10 3a13 s PRO 19 Ca 0.04 2.25 -0.21 0.00 0.04 0.00 0.00 61.00 63.12 3a13 s PRO 19 Cb -0.16 -2.60 -0.01 0.00 0.04 0.00 0.00 34.50 31.77 3a13 s PRO 19 CO 0.00 -0.75 0.68 0.45 0.04 0.00 0.00 177.00 177.42 3a13 s SER 20 N -0.73 6.59 0.55 6.66 0.15 -1.26 -4.94 113.70 120.71 3a13 s SER 20 Ca 0.62 0.63 0.23 0.00 0.70 0.00 0.00 55.95 58.13 3a13 s SER 20 Cb -0.40 -2.36 1.47 0.00 -1.71 0.00 0.00 66.02 63.02 3a13 s SER 20 CO 0.51 -0.47 2.12 0.11 1.20 0.00 0.00 173.24 176.71 3a13 h LYS 21 N 8.02 0.00 0.00 5.44 1.57 -1.94 -0.16 116.57 129.50 3a13 h LYS 21 Ca -0.26 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.48 3a13 h LYS 21 Cb 1.11 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.42 3a13 h LYS 21 CO 0.81 0.00 -1.15 1.63 -0.57 0.00 0.00 179.45 180.17 3a13 n LYS 22 N -4.24 0.61 0.00 3.15 4.76 -1.26 -4.47 118.16 116.71 3a13 n LYS 22 Ca 0.01 0.13 0.00 0.00 -2.87 0.00 0.00 58.31 55.58 3a13 n LYS 22 Cb 0.25 -1.81 0.00 0.00 -1.84 0.00 0.00 35.03 31.63 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 -2.70 3.31 -3.68 1.97 1.74 -0.95 -4.60 116.66 111.75 3a13 n ARG 23 Ca -0.03 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.70 3a13 n ARG 23 Cb 0.62 -0.66 -0.08 0.00 -1.02 0.00 0.00 32.46 31.33 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 -1.21 6.30 0.18 0.55 1.01 -0.11 -0.55 116.67 122.84 3a13 s ASP 24 Ca 0.00 0.35 -0.28 0.00 0.71 0.00 0.00 52.55 53.33 3a13 s ASP 24 Cb 0.00 -2.12 -0.08 0.00 1.01 0.00 0.00 42.92 41.73 3a13 s ASP 24 CO 0.00 0.18 0.86 -0.63 0.21 0.00 0.00 175.17 175.79 3a13 s ILE 25 N 0.25 4.29 -0.16 0.77 1.01 0.17 -4.14 121.20 123.39 3a13 s ILE 25 Ca 0.11 1.89 0.01 0.00 0.00 0.00 0.00 60.65 62.66 3a13 s ILE 25 Cb -0.12 -4.23 0.02 0.00 0.01 0.00 0.00 42.46 38.14 3a13 s ILE 25 CO 0.01 0.48 -0.16 -0.63 0.00 0.00 0.00 174.94 174.64 3a13 s ILE 26 N -0.96 1.71 -0.15 2.92 1.01 -0.89 -0.07 121.20 124.78 3a13 s ILE 26 Ca 0.39 -0.74 -0.15 0.00 0.00 0.00 0.00 60.65 60.15 3a13 s ILE 26 Cb -0.24 -1.60 -0.04 0.00 0.01 0.00 0.00 42.46 40.59 3a13 s ILE 26 CO 0.29 0.47 0.35 0.00 0.00 0.00 0.00 174.94 176.04 3a13 s ALA 27 N 1.43 3.56 -0.26 9.38 0.00 -0.44 0.25 121.76 135.68 3a13 s ALA 27 Ca 0.05 -0.37 -0.08 0.00 0.00 0.00 0.00 51.96 51.55 3a13 s ALA 27 Cb -0.13 -2.47 -0.03 0.00 0.00 0.00 0.00 23.12 20.49 3a13 s ALA 27 CO -0.11 0.06 0.09 0.08 0.00 0.00 0.00 175.76 175.88 3a13 s VAL 28 N 0.51 4.47 -0.03 0.00 1.01 -0.43 -0.83 120.40 125.11 3a13 s VAL 28 Ca 0.19 -0.14 0.08 0.00 0.00 0.00 0.00 61.98 62.10 3a13 s VAL 28 Cb -0.14 -3.11 -0.02 0.00 0.00 0.00 0.00 36.38 33.11 3a13 s VAL 28 CO 0.06 0.30 -0.25 -0.36 0.00 0.00 0.00 175.10 174.85 3a13 s PHE 29 N 1.64 2.36 -0.40 5.22 0.08 0.16 0.01 117.98 127.04 3a13 s PHE 29 Ca 0.06 -0.45 -0.20 0.00 0.12 0.00 0.00 56.93 56.46 3a13 s PHE 29 Cb -0.15 -1.52 0.01 0.00 -0.57 0.00 0.00 43.02 40.79 3a13 s PHE 29 CO 0.05 -0.04 0.60 0.50 -0.10 0.00 0.00 175.22 176.22 3a13 s ARG 30 N -0.57 3.40 -0.18 0.44 3.52 0.43 -0.01 118.95 125.99 3a13 s ARG 30 Ca 0.09 -0.29 -0.05 0.00 -0.13 0.00 0.00 55.73 55.35 3a13 s ARG 30 Cb -0.10 -3.90 -0.03 0.00 -1.56 0.00 0.00 34.95 29.36 3a13 s ARG 30 CO -0.00 -0.87 -0.01 0.08 -0.81 0.00 0.00 175.30 173.69 3a13 s VAL 31 N 2.65 4.06 -0.36 7.11 1.01 0.16 -1.31 120.40 133.72 3a13 s VAL 31 Ca 0.21 -0.29 -0.03 0.00 0.00 0.00 0.00 61.98 61.87 3a13 s VAL 31 Cb -0.15 -2.81 0.08 0.00 0.00 0.00 0.00 36.38 33.50 3a13 s VAL 31 CO 0.17 0.46 0.11 -0.89 0.00 0.00 0.00 175.10 174.95 3a13 s THR 32 N 0.61 3.25 0.34 3.92 2.01 -0.59 -0.41 115.64 124.77 3a13 s THR 32 Ca -0.01 -1.67 -0.29 0.00 0.31 0.00 0.00 61.69 60.03 3a13 s THR 32 Cb -0.14 -3.04 -0.11 0.00 0.01 0.00 0.00 72.50 69.22 3a13 s THR 32 CO 0.02 -0.40 1.40 -2.84 -0.69 0.00 0.00 174.62 172.11 3a13 s PRO 33 N 1.22 4.24 0.98 4.92 0.02 -1.26 -0.05 135.00 145.07 3a13 s PRO 33 Ca 0.02 2.38 -0.11 0.00 0.02 0.00 0.00 61.00 63.30 3a13 s PRO 33 Cb -0.21 -3.03 0.18 0.00 0.02 0.00 0.00 34.50 31.46 3a13 s PRO 33 CO -0.02 -0.35 1.10 0.00 -0.33 0.00 0.00 177.00 177.39 3a13 s ALA 34 N -1.04 0.93 0.19 -1.55 0.00 -0.68 -4.39 121.76 115.22 3a13 s ALA 34 Ca 0.51 0.25 -0.33 0.00 0.00 0.00 0.00 51.96 52.40 3a13 s ALA 34 Cb -0.43 -3.34 -0.13 0.00 0.00 0.00 0.00 23.12 19.23 3a13 s ALA 34 CO 0.57 -2.97 1.69 -1.91 0.00 0.00 0.00 175.76 173.13 3a13 n GLU 35 N -4.35 2.61 -0.12 0.00 4.07 -1.26 -2.46 120.64 119.13 3a13 n GLU 35 Ca 0.08 0.94 0.00 0.00 -0.06 0.00 0.00 57.16 58.12 3a13 n GLU 35 Cb 0.53 -2.77 0.00 0.00 -0.06 0.00 0.00 31.44 29.14 3a13 n GLU 35 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3a13 n GLY 36 N 3.83 0.65 3.17 8.31 0.00 -1.26 -5.07 105.19 114.81 3a13 n GLY 36 Ca 0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.18 1.76 0.66 1.61 2.02 -1.03 -5.13 117.35 115.06 3a13 s TYR 37 Ca 0.00 -0.43 -0.11 0.00 -0.37 0.00 0.00 57.07 56.15 3a13 s TYR 37 Cb 0.00 -1.16 -0.01 0.00 -0.40 0.00 0.00 41.96 40.38 3a13 s TYR 37 CO 0.00 -0.11 1.05 0.95 -1.57 0.00 0.00 175.55 175.87 3a13 s THR 38 N -0.19 4.27 0.34 -0.71 -4.23 -1.26 -4.73 115.64 109.12 3a13 s THR 38 Ca 0.01 0.76 0.03 0.00 -1.18 0.00 0.00 61.69 61.31 3a13 s THR 38 Cb -0.10 -3.57 0.28 0.00 1.34 0.00 0.00 72.50 70.45 3a13 s THR 38 CO 0.01 -0.94 1.96 -0.29 -0.54 0.00 0.00 174.62 174.82 3a13 h ILE 39 N -0.47 1.09 -0.99 2.99 6.09 -1.98 -1.49 117.51 122.74 3a13 h ILE 39 Ca -0.44 -0.30 0.01 0.00 -1.37 0.00 0.00 64.86 62.75 3a13 h ILE 39 Cb 1.20 0.12 -0.05 0.00 0.47 0.00 0.00 36.82 38.57 3a13 h ILE 39 CO 0.59 0.16 0.64 -0.33 -3.07 0.00 0.00 178.15 176.14 3a13 h GLU 40 N 0.88 1.32 -0.35 2.19 3.07 -1.98 0.20 114.58 119.90 3a13 h GLU 40 Ca 0.31 -0.09 -0.13 0.00 -0.50 0.00 0.00 59.36 58.95 3a13 h GLU 40 Cb 0.12 -0.29 -0.01 0.00 -0.84 0.00 0.00 28.75 27.73 3a13 h GLU 40 CO -0.10 0.89 -0.32 1.96 -1.40 0.00 0.00 179.01 180.04 3a13 h GLN 41 N 1.35 0.77 -0.08 2.33 4.20 -1.67 -0.95 115.11 121.06 3a13 h GLN 41 Ca 0.36 -0.36 -0.07 0.00 0.06 0.00 0.00 58.65 58.64 3a13 h GLN 41 Cb -0.13 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.64 3a13 h GLN 41 CO -0.07 0.98 -0.22 0.00 -0.67 0.00 0.00 178.83 178.85 3a13 h ALA 42 N 0.99 0.14 -0.32 3.87 0.00 -0.96 -2.29 119.26 120.69 3a13 h ALA 42 Ca 0.07 -0.38 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 3a13 h ALA 42 Cb 0.85 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 3a13 h ALA 42 CO 0.07 0.10 -0.08 0.00 0.00 0.00 0.00 179.25 179.35 3a13 h ALA 43 N 0.48 1.28 -0.50 0.00 0.00 -0.62 -1.22 119.26 118.68 3a13 h ALA 43 Ca -0.00 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.59 3a13 h ALA 43 Cb 0.82 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 3a13 h ALA 43 CO 0.05 0.48 0.04 0.78 0.00 0.00 0.00 179.25 180.60 3a13 h GLY 44 N 0.90 0.93 1.16 0.00 0.00 -1.14 -0.07 103.07 104.83 3a13 h GLY 44 Ca 0.10 -0.65 -0.07 0.00 0.00 0.00 0.00 47.33 46.71 3a13 h GLY 44 CO 0.02 0.60 0.15 0.00 0.00 0.00 0.00 176.54 177.31 3a13 h ALA 45 N 0.95 1.02 -0.24 3.60 0.00 -1.10 -1.02 119.26 122.47 3a13 h ALA 45 Ca 0.15 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 3a13 h ALA 45 Cb 0.46 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3a13 h ALA 45 CO 0.02 0.64 0.01 0.28 0.00 0.00 0.00 179.25 180.19 3a13 h VAL 46 N 0.99 1.25 -0.71 0.00 2.07 -0.90 -0.03 116.25 118.92 3a13 h VAL 46 Ca 0.21 -0.87 0.00 0.00 0.82 0.00 0.00 66.70 66.86 3a13 h VAL 46 Cb 0.37 1.35 -0.04 0.00 -1.52 0.00 0.00 31.29 31.45 3a13 h VAL 46 CO 0.00 0.27 0.46 0.00 0.02 0.00 0.00 177.57 178.32 3a13 h ALA 47 N 0.82 1.47 -0.00 1.67 0.00 -0.97 -1.99 119.26 120.25 3a13 h ALA 47 Ca 0.07 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3a13 h ALA 47 Cb 0.39 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3a13 h ALA 47 CO 0.01 0.48 -0.01 0.00 0.00 0.00 0.00 179.25 179.74 3a13 h ALA 48 N 1.53 0.01 0.00 0.00 0.00 -0.83 -2.71 119.26 117.26 3a13 h ALA 48 Ca 0.26 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 3a13 h ALA 48 Cb -0.09 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3a13 h ALA 48 CO -0.05 -0.20 -0.17 0.93 0.00 0.00 0.00 179.25 179.75 3a13 h GLU 49 N -0.56 0.00 -0.02 0.00 4.39 -0.96 0.73 114.58 118.16 3a13 h GLU 49 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3a13 h GLU 49 Cb 0.59 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.24 3a13 h GLU 49 CO 0.00 0.17 -0.08 -1.13 -1.16 0.00 0.00 179.01 176.81 3a13 n SER 50 N -3.66 1.72 0.00 1.42 3.41 -0.75 -4.87 113.62 110.89 3a13 n SER 50 Ca -0.01 -1.47 0.00 0.00 -0.26 0.00 0.00 58.87 57.12 3a13 n SER 50 Cb 0.30 0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.31 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 0.22 0.00 -1.35 4.04 3.41 -0.88 -4.58 113.62 114.49 3a13 n SER 51 Ca 0.16 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.87 3a13 n SER 51 Cb 0.41 0.00 0.31 0.00 -0.26 0.00 0.00 64.21 64.67 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 1.26 -2.29 6.66 -2.24 -1.19 -5.02 114.28 111.46 3a13 n THR 52 Ca 0.00 -0.98 -0.09 0.00 -2.27 0.00 0.00 64.05 60.72 3a13 n THR 52 Cb 0.00 0.27 0.05 0.00 -2.10 0.00 0.00 70.33 68.55 3a13 n THR 52 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3a13 n GLY 53 N 1.33 0.54 3.58 3.38 0.00 0.20 -5.05 105.19 109.17 3a13 n GLY 53 Ca 0.23 -1.96 -0.10 0.00 0.00 0.00 0.00 46.02 44.20 3a13 n GLY 53 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3a13 s THR 54 N -1.11 0.00 -0.10 2.61 -1.32 -1.26 -4.86 115.64 109.60 3a13 s THR 54 Ca 0.25 0.00 0.30 0.00 -1.21 0.00 0.00 61.69 61.03 3a13 s THR 54 Cb -0.01 -1.00 0.36 0.00 -1.51 0.00 0.00 72.50 70.34 3a13 s THR 54 CO 0.17 0.00 1.87 4.11 -2.21 0.00 0.00 174.62 178.56 3a13 h TRP 55 N 2.50 0.00 -2.83 9.09 5.08 -2.00 -3.45 115.95 124.33 3a13 h TRP 55 Ca -0.17 0.00 -0.47 0.00 1.08 0.00 0.00 58.89 59.33 3a13 h TRP 55 Cb 1.17 0.00 -0.14 0.00 -3.00 0.00 0.00 29.16 27.19 3a13 h TRP 55 CO 0.28 0.00 -0.63 -0.08 -1.28 0.00 0.00 178.44 176.73 3a13 s THR 56 N -3.52 1.28 0.61 0.12 -1.32 -1.26 -5.07 115.64 106.48 3a13 s THR 56 Ca 0.03 -2.03 -0.17 0.00 -1.21 0.00 0.00 61.69 58.31 3a13 s THR 56 Cb 0.08 -2.68 -0.03 0.00 -1.51 0.00 0.00 72.50 68.37 3a13 s THR 56 CO 0.55 -0.10 1.15 -0.89 -2.21 0.00 0.00 174.62 173.12 3a13 s THR 57 N -3.24 3.00 0.03 5.08 2.01 -1.26 -5.05 115.64 116.21 3a13 s THR 57 Ca 0.34 0.56 0.06 0.00 0.31 0.00 0.00 61.69 62.96 3a13 s THR 57 Cb 0.07 -3.15 -0.02 0.00 0.01 0.00 0.00 72.50 69.41 3a13 s THR 57 CO 0.14 -0.20 -0.18 -1.48 -0.69 0.00 0.00 174.62 172.22 3a13 s LEU 58 N -4.32 2.15 0.31 4.42 -0.00 -1.26 -5.13 118.68 114.85 3a13 s LEU 58 Ca 0.72 -0.47 -0.29 0.00 -0.00 0.00 0.00 54.13 54.09 3a13 s LEU 58 Cb -0.25 -0.81 -0.10 0.00 -0.00 0.00 0.00 46.19 45.03 3a13 s LEU 58 CO 0.34 0.12 1.32 -0.72 -0.00 0.00 0.00 176.35 177.41 3a13 s TYR 59 N -0.76 3.07 -0.91 3.48 1.13 -1.26 -4.95 117.35 117.15 3a13 s TYR 59 Ca 0.05 1.36 -0.25 0.00 -1.41 0.00 0.00 57.07 56.83 3a13 s TYR 59 Cb -0.08 -3.68 0.04 0.00 -1.10 0.00 0.00 41.96 37.14 3a13 s TYR 59 CO 0.01 -1.93 1.40 -1.25 -2.51 0.00 0.00 175.55 171.27 3a13 s PRO 60 N -1.50 3.41 -0.01 -3.49 0.04 -1.26 -4.78 135.00 127.42 3a13 s PRO 60 Ca 0.51 -0.76 0.02 0.00 0.04 0.00 0.00 61.00 60.80 3a13 s PRO 60 Cb -0.40 -4.90 0.03 0.00 0.04 0.00 0.00 34.50 29.28 3a13 s PRO 60 CO 0.50 -2.21 1.02 -2.67 0.04 0.00 0.00 177.00 173.69 3a13 n TRP 61 N 9.19 0.03 -4.16 0.56 4.27 -1.26 -5.03 117.44 121.05 3a13 n TRP 61 Ca 0.22 -0.52 -0.10 0.00 -3.89 0.00 0.00 57.50 53.20 3a13 n TRP 61 Cb 0.50 -0.05 -0.10 0.00 -1.36 0.00 0.00 31.31 30.30 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 -1.09 0.90 -0.25 -2.67 -0.85 -1.26 -5.10 117.35 107.03 3a13 s TYR 62 Ca 0.03 -1.20 -0.29 0.00 -0.52 0.00 0.00 57.07 55.10 3a13 s TYR 62 Cb 0.02 -0.51 -0.02 0.00 0.38 0.00 0.00 41.96 41.83 3a13 s TYR 62 CO 0.01 -0.47 1.68 -2.00 -1.52 0.00 0.00 175.55 173.25 3a13 s GLU 63 N -4.02 3.65 0.20 -3.49 2.12 -1.26 -4.91 118.70 110.99 3a13 s GLU 63 Ca 0.23 1.60 -0.11 0.00 0.36 0.00 0.00 54.97 57.05 3a13 s GLU 63 Cb 0.07 -4.09 0.24 0.00 0.26 0.00 0.00 34.13 30.61 3a13 s GLU 63 CO 0.02 -1.47 1.72 1.96 -0.54 0.00 0.00 175.26 176.94 3a13 h GLN 64 N 11.40 0.26 -0.79 4.30 1.08 -1.99 -2.74 115.11 126.64 3a13 h GLN 64 Ca -0.34 -0.02 0.11 0.00 -1.45 0.00 0.00 58.65 56.96 3a13 h GLN 64 Cb 1.16 -0.06 -0.08 0.00 -0.05 0.00 0.00 27.48 28.45 3a13 h GLN 64 CO 1.01 0.17 0.40 1.49 -0.95 0.00 0.00 178.83 180.96 3a13 h GLU 65 N 0.27 0.62 0.33 1.46 4.57 -1.99 -0.99 114.58 118.85 3a13 h GLU 65 Ca 0.28 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 58.41 3a13 h GLU 65 Cb 0.38 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 28.84 3a13 h GLU 65 CO -0.35 0.41 -0.16 -0.09 -1.18 0.00 0.00 179.01 177.64 3a13 h ARG 66 N 0.64 -0.43 -0.75 1.92 2.43 -1.90 -1.84 114.38 114.45 3a13 h ARG 66 Ca 0.40 0.03 0.09 0.00 -0.81 0.00 0.00 59.98 59.69 3a13 h ARG 66 Cb 0.48 0.10 -0.11 0.00 -0.42 0.00 0.00 29.97 30.01 3a13 h ARG 66 CO -0.31 -0.10 -0.51 2.35 -1.51 0.00 0.00 179.97 179.90 3a13 h TRP 67 N -0.86 -1.56 -0.12 2.20 7.01 -1.32 -0.78 115.95 120.53 3a13 h TRP 67 Ca -0.05 0.10 -0.03 0.00 2.11 0.00 0.00 58.89 61.03 3a13 h TRP 67 Cb 0.53 0.78 -0.01 0.00 -2.10 0.00 0.00 29.16 28.36 3a13 h TRP 67 CO 0.03 -0.42 -0.06 0.00 -2.79 0.00 0.00 178.44 175.20 3a13 h ALA 68 N 0.55 1.68 0.00 2.65 0.00 -1.22 -2.24 119.26 120.67 3a13 h ALA 68 Ca 0.17 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 3a13 h ALA 68 Cb 0.52 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3a13 h ALA 68 CO -0.80 0.24 -0.32 0.22 0.00 0.00 0.00 179.25 178.59 3a13 h ASP 69 N 0.17 0.00 -0.65 0.00 3.58 -0.28 -3.15 116.42 116.09 3a13 h ASP 69 Ca 0.04 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.49 3a13 h ASP 69 Cb 0.23 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.28 3a13 h ASP 69 CO 0.01 0.32 0.00 0.18 -2.88 0.00 0.00 179.24 176.87 3a13 n LEU 70 N -3.98 3.92 -4.80 2.28 4.77 -0.73 -4.89 117.00 113.57 3a13 n LEU 70 Ca -0.02 -1.97 -0.39 0.00 -0.03 0.00 0.00 56.01 53.61 3a13 n LEU 70 Cb 0.38 -0.49 -0.06 0.00 -2.33 0.00 0.00 43.42 40.92 3a13 n LEU 70 CO 0.37 0.85 0.27 -0.44 -1.33 0.00 0.00 177.39 177.11 3a13 s SER 71 N -0.95 7.04 0.60 -1.43 0.01 -1.19 -4.65 113.70 113.12 3a13 s SER 71 Ca 0.46 1.24 -0.14 0.00 1.31 0.00 0.00 55.95 58.82 3a13 s SER 71 Cb 0.26 -2.36 -0.04 0.00 0.21 0.00 0.00 66.02 64.09 3a13 s SER 71 CO 0.28 0.25 1.03 0.00 0.41 0.00 0.00 173.24 175.21 3a13 s ALA 72 N -0.97 2.90 -0.05 1.44 0.00 -1.26 -4.73 121.76 119.09 3a13 s ALA 72 Ca 0.29 0.16 0.01 0.00 0.00 0.00 0.00 51.96 52.42 3a13 s ALA 72 Cb -0.19 -3.15 0.02 0.00 0.00 0.00 0.00 23.12 19.79 3a13 s ALA 72 CO 0.19 -0.70 -0.06 0.15 0.00 0.00 0.00 175.76 175.33 3a13 s LYS 73 N -4.52 1.04 -0.32 0.00 -0.14 -0.76 -4.72 119.74 110.31 3a13 s LYS 73 Ca 0.59 -0.17 -0.28 0.00 -1.36 0.00 0.00 55.97 54.74 3a13 s LYS 73 Cb -0.13 -0.98 0.02 0.00 -1.68 0.00 0.00 37.83 35.06 3a13 s LYS 73 CO 0.43 -0.06 1.04 0.00 -0.76 0.00 0.00 175.35 176.00 3a13 s ALA 74 N 0.89 3.50 -0.01 5.17 0.00 -0.14 -0.76 121.76 130.42 3a13 s ALA 74 Ca -0.11 -0.10 0.01 0.00 0.00 0.00 0.00 51.96 51.76 3a13 s ALA 74 Cb -0.15 -3.64 -0.01 0.00 0.00 0.00 0.00 23.12 19.32 3a13 s ALA 74 CO 0.01 -1.46 0.02 2.48 0.00 0.00 0.00 175.76 176.81 3a13 n TYR 75 N 6.80 0.00 -4.41 0.00 0.18 -0.48 -1.51 117.16 117.73 3a13 n TYR 75 Ca 0.11 0.00 -0.20 0.00 1.88 0.00 0.00 57.90 59.69 3a13 n TYR 75 Cb 0.47 -0.02 -0.15 0.00 -0.38 0.00 0.00 39.34 39.26 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 -2.01 1.22 -0.07 9.48 2.15 -1.21 -4.39 116.67 121.84 3a13 s ASP 76 Ca -0.00 -0.19 -0.01 0.00 0.43 0.00 0.00 52.55 52.78 3a13 s ASP 76 Cb 0.01 -0.27 0.03 0.00 -0.30 0.00 0.00 42.92 42.38 3a13 s ASP 76 CO 0.04 0.09 -0.03 -0.36 -0.17 0.00 0.00 175.17 174.74 3a13 s PHE 77 N 0.05 0.86 -0.14 -5.34 0.08 -1.26 -2.03 117.98 110.20 3a13 s PHE 77 Ca -0.01 -0.30 -0.00 0.00 0.12 0.00 0.00 56.93 56.74 3a13 s PHE 77 Cb -0.07 -0.86 0.03 0.00 -0.57 0.00 0.00 43.02 41.54 3a13 s PHE 77 CO 0.00 -0.33 -0.10 -1.58 -0.10 0.00 0.00 175.22 173.11 3a13 s HIS 78 N 1.67 1.87 -0.11 0.36 5.65 -0.20 -4.99 115.29 119.54 3a13 s HIS 78 Ca 0.01 -1.06 -0.30 0.00 0.25 0.00 0.00 55.06 53.97 3a13 s HIS 78 Cb -0.13 -1.43 -0.02 0.00 -1.18 0.00 0.00 32.58 29.82 3a13 s HIS 78 CO -0.05 -0.61 1.22 0.34 -0.65 0.00 0.00 174.74 174.99 3a13 s ASP 79 N 1.58 7.01 0.06 9.88 -1.08 -1.26 -0.68 116.67 132.19 3a13 s ASP 79 Ca 0.04 1.74 0.27 0.00 -0.52 0.00 0.00 52.55 54.07 3a13 s ASP 79 Cb -0.13 -2.55 0.80 0.00 -1.46 0.00 0.00 42.92 39.58 3a13 s ASP 79 CO -0.09 -0.66 1.66 0.23 0.52 0.00 0.00 175.17 176.82 3a13 n MET 80 N 5.84 0.11 -0.85 4.34 2.81 -0.38 -4.95 117.12 124.03 3a13 n MET 80 Ca 0.12 0.06 0.00 0.00 -1.81 0.00 0.00 57.70 56.07 3a13 n MET 80 Cb 0.46 -1.60 0.00 0.00 -0.71 0.00 0.00 33.22 31.37 3a13 n MET 80 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3a13 n GLY 81 N 1.43 0.52 0.01 3.03 0.00 -1.26 -4.88 105.19 104.05 3a13 n GLY 81 Ca 0.06 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 0.87 0.81 0.00 1.61 5.68 -1.26 -4.96 116.55 119.30 3a13 n ASP 82 Ca 0.00 -1.44 0.00 0.00 -0.50 0.00 0.00 54.79 52.85 3a13 n ASP 82 Cb 0.00 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 39.97 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 -0.22 0.42 3.36 6.12 0.00 -1.26 -5.09 105.19 108.53 3a13 n GLY 83 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.39 3.04 0.07 1.61 1.04 -1.26 -4.31 113.70 111.49 3a13 s SER 84 Ca 0.00 -0.78 0.08 0.00 0.48 0.00 0.00 55.95 55.73 3a13 s SER 84 Cb 0.00 -0.20 -0.03 0.00 0.10 0.00 0.00 66.02 65.89 3a13 s SER 84 CO 0.00 0.10 -0.21 0.26 0.98 0.00 0.00 173.24 174.37 3a13 s TRP 85 N -1.41 1.80 -0.27 5.02 0.52 0.45 -1.25 118.94 123.81 3a13 s TRP 85 Ca 0.14 -0.40 -0.22 0.00 0.02 0.00 0.00 56.10 55.64 3a13 s TRP 85 Cb -0.09 -1.03 -0.01 0.00 -1.15 0.00 0.00 33.47 31.19 3a13 s TRP 85 CO 0.07 0.15 0.72 0.42 0.02 0.00 0.00 176.95 178.32 3a13 s ILE 86 N -0.98 4.90 -0.14 2.03 -1.09 0.15 0.36 121.20 126.42 3a13 s ILE 86 Ca 0.07 1.24 0.01 0.00 -2.23 0.00 0.00 60.65 59.74 3a13 s ILE 86 Cb -0.09 -4.03 0.00 0.00 -1.58 0.00 0.00 42.46 36.75 3a13 s ILE 86 CO 0.03 -0.07 -0.18 -0.69 -1.23 0.00 0.00 174.94 172.80 3a13 s VAL 87 N 2.70 2.46 -0.15 2.92 1.01 0.99 -1.04 120.40 129.29 3a13 s VAL 87 Ca 0.30 -0.85 -0.12 0.00 0.00 0.00 0.00 61.98 61.31 3a13 s VAL 87 Cb -0.15 -2.01 -0.05 0.00 0.00 0.00 0.00 36.38 34.17 3a13 s VAL 87 CO 0.09 0.53 0.24 -0.13 0.00 0.00 0.00 175.10 175.83 3a13 s ARG 88 N 0.74 4.09 -0.04 2.72 0.52 -0.86 -0.67 118.95 125.46 3a13 s ARG 88 Ca -0.07 0.02 0.06 0.00 -0.52 0.00 0.00 55.73 55.21 3a13 s ARG 88 Cb -0.16 -3.37 -0.01 0.00 0.52 0.00 0.00 34.95 31.93 3a13 s ARG 88 CO 0.01 0.37 -0.21 0.42 0.02 0.00 0.00 175.30 175.91 3a13 s ILE 89 N 0.09 1.71 -0.13 1.52 1.01 -0.01 -1.38 121.20 124.01 3a13 s ILE 89 Ca 0.15 -0.89 -0.01 0.00 0.00 0.00 0.00 60.65 59.90 3a13 s ILE 89 Cb -0.13 -1.45 -0.02 0.00 0.01 0.00 0.00 42.46 40.88 3a13 s ILE 89 CO 0.03 0.48 -0.11 0.00 0.00 0.00 0.00 174.94 175.35 3a13 s ALA 90 N -0.20 2.73 -0.06 9.38 0.00 0.06 -1.32 121.76 132.35 3a13 s ALA 90 Ca 0.00 -0.87 0.05 0.00 0.00 0.00 0.00 51.96 51.14 3a13 s ALA 90 Cb -0.11 -1.29 -0.01 0.00 0.00 0.00 0.00 23.12 21.71 3a13 s ALA 90 CO 0.02 0.27 -0.23 0.71 0.00 0.00 0.00 175.76 176.53 3a13 s TYR 91 N 0.25 2.29 0.20 0.00 2.02 0.90 -1.84 117.35 121.17 3a13 s TYR 91 Ca -0.07 -0.72 -0.30 0.00 -0.37 0.00 0.00 57.07 55.60 3a13 s TYR 91 Cb -0.15 -1.51 -0.08 0.00 -0.40 0.00 0.00 41.96 39.81 3a13 s TYR 91 CO 0.05 -0.24 1.25 -1.25 -1.57 0.00 0.00 175.55 173.79 3a13 s PRO 92 N -0.03 4.44 0.51 -1.71 0.04 -1.26 0.46 135.00 137.46 3a13 s PRO 92 Ca -0.06 1.97 0.20 0.00 0.04 0.00 0.00 61.00 63.15 3a13 s PRO 92 Cb -0.14 -3.21 1.30 0.00 0.04 0.00 0.00 34.50 32.49 3a13 s PRO 92 CO 0.04 -0.16 2.06 0.27 0.04 0.00 0.00 177.00 179.25 3a13 h PHE 93 N 5.19 0.06 -0.06 0.56 -5.15 -1.18 -0.47 116.94 115.89 3a13 h PHE 93 Ca -0.45 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.32 3a13 h PHE 93 Cb 1.21 -0.02 0.00 0.00 0.22 0.00 0.00 35.95 37.37 3a13 h PHE 93 CO 0.62 0.03 0.00 -2.39 -2.00 0.00 0.00 178.31 174.57 3a13 n HIS 94 N -4.45 0.08 0.55 6.09 1.44 -1.26 -2.52 115.22 115.14 3a13 n HIS 94 Ca 0.05 -0.04 0.13 0.00 -2.01 0.00 0.00 57.72 55.84 3a13 n HIS 94 Cb 0.37 -0.00 0.34 0.00 0.12 0.00 0.00 29.99 30.81 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 3.11 0.95 -3.51 1.59 0.00 -1.42 -3.46 119.26 116.51 3a13 h ALA 95 Ca 0.00 0.00 -0.66 0.00 0.00 0.00 0.00 54.91 54.25 3a13 h ALA 95 Cb 0.08 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 17.70 3a13 h ALA 95 CO 0.00 0.00 -0.76 -0.06 0.00 0.00 0.00 179.25 178.43 3a13 s PHE 96 N -3.13 2.63 0.42 0.00 0.08 -1.05 -5.11 117.98 111.84 3a13 s PHE 96 Ca 0.09 -0.21 -0.26 0.00 0.12 0.00 0.00 56.93 56.67 3a13 s PHE 96 Cb 0.11 -1.37 -0.09 0.00 -0.57 0.00 0.00 43.02 41.10 3a13 s PHE 96 CO 0.62 0.43 1.46 -2.00 -0.10 0.00 0.00 175.22 175.64 3a13 s GLU 97 N -2.31 3.83 0.29 0.44 2.12 -1.26 -4.94 118.70 116.87 3a13 s GLU 97 Ca 0.21 2.51 -0.29 0.00 0.36 0.00 0.00 54.97 57.75 3a13 s GLU 97 Cb -0.10 -2.77 -0.11 0.00 0.26 0.00 0.00 34.13 31.41 3a13 s GLU 97 CO 0.13 -0.73 1.48 -1.21 -0.54 0.00 0.00 175.26 174.38 3a13 s GLU 98 N -2.33 4.20 -1.39 4.30 2.02 -1.26 -3.47 118.70 120.77 3a13 s GLU 98 Ca 0.58 2.43 -0.03 0.00 0.02 0.00 0.00 54.97 57.97 3a13 s GLU 98 Cb -0.45 -3.05 0.02 0.00 0.10 0.00 0.00 34.13 30.74 3a13 s GLU 98 CO 0.60 -0.48 0.63 0.00 0.02 0.00 0.00 175.26 176.02 3a13 n ALA 99 N 1.78 -1.89 -3.54 5.21 0.00 -1.26 -4.94 120.51 115.86 3a13 n ALA 99 Ca 0.05 -0.16 -0.28 0.00 0.00 0.00 0.00 53.44 53.06 3a13 n ALA 99 Cb 0.39 -2.12 -0.11 0.00 0.00 0.00 0.00 19.45 17.61 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 -4.20 2.49 0.17 0.00 3.84 -1.23 -4.98 114.94 111.04 3a13 s ASN 100 Ca 0.11 -3.20 -0.14 0.00 0.21 0.00 0.00 52.86 49.84 3a13 s ASN 100 Cb -0.06 -0.77 0.06 0.00 -0.55 0.00 0.00 41.25 39.93 3a13 s ASN 100 CO 0.85 -0.16 1.81 0.25 -2.79 0.00 0.00 177.10 177.06 3a13 h LEU 101 N 5.70 0.63 -0.89 3.21 5.85 -1.92 -1.39 115.31 126.50 3a13 h LEU 101 Ca 0.21 -0.05 0.12 0.00 0.84 0.00 0.00 57.88 59.01 3a13 h LEU 101 Cb 0.87 -0.16 -0.08 0.00 0.37 0.00 0.00 40.66 41.66 3a13 h LEU 101 CO 0.46 0.49 0.51 -0.65 -0.34 0.00 0.00 178.44 178.91 3a13 h PRO 102 N 0.71 0.76 -0.49 5.25 0.11 -1.94 0.25 132.00 136.66 3a13 h PRO 102 Ca 0.19 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 66.14 3a13 h PRO 102 Cb -0.03 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 30.89 3a13 h PRO 102 CO -0.04 0.50 -0.15 0.78 -0.21 0.00 0.00 178.00 178.88 3a13 h GLY 103 N 0.79 1.05 1.05 -0.55 0.00 -1.86 -1.58 103.07 101.96 3a13 h GLY 103 Ca 0.45 -0.89 -0.06 0.00 0.00 0.00 0.00 47.33 46.84 3a13 h GLY 103 CO -0.30 0.81 0.21 -2.00 0.00 0.00 0.00 176.54 175.26 3a13 h LEU 104 N 0.82 1.03 -1.49 3.11 6.46 -0.53 -2.51 115.31 122.19 3a13 h LEU 104 Ca 0.12 -0.22 -0.02 0.00 -0.12 0.00 0.00 57.88 57.64 3a13 h LEU 104 Cb 0.72 -0.27 -0.02 0.00 -0.73 0.00 0.00 40.66 40.37 3a13 h LEU 104 CO 0.06 0.97 0.10 -0.07 -0.62 0.00 0.00 178.44 178.88 3a13 h LEU 105 N 1.03 0.39 -1.71 2.25 3.38 -0.39 -0.35 115.31 119.92 3a13 h LEU 105 Ca 0.22 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 3a13 h LEU 105 Cb 0.32 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3a13 h LEU 105 CO -0.00 0.38 0.09 0.00 0.09 0.00 0.00 178.44 179.00 3a13 h ALA 106 N 1.68 1.78 0.00 1.53 0.00 -0.84 -0.06 119.26 123.35 3a13 h ALA 106 Ca 0.11 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3a13 h ALA 106 Cb 0.13 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3a13 h ALA 106 CO -0.01 0.19 -0.00 0.77 0.00 0.00 0.00 179.25 180.20 3a13 h SER 107 N 0.28 -0.00 -0.08 0.00 0.02 -0.94 -3.12 113.55 109.72 3a13 h SER 107 Ca 0.07 -0.60 0.00 0.00 -0.84 0.00 0.00 61.79 60.43 3a13 h SER 107 Cb 0.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.59 3a13 h SER 107 CO -0.01 0.80 0.00 2.30 -1.14 0.00 0.00 176.83 178.78 3a13 n ILE 108 N -4.68 0.07 -2.77 3.27 -6.64 -0.54 -4.22 119.36 103.84 3a13 n ILE 108 Ca -0.06 -0.48 -0.01 0.00 -1.77 0.00 0.00 62.75 60.42 3a13 n ILE 108 Cb 0.29 1.24 0.08 0.00 -1.44 0.00 0.00 39.64 39.80 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 1.14 2.70 -2.56 -1.28 0.00 -0.04 -5.01 120.51 115.46 3a13 n ALA 109 Ca 0.16 -2.12 0.00 0.00 0.00 0.00 0.00 53.44 51.47 3a13 n ALA 109 Cb 0.55 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 19.14 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 -0.91 1.19 0.32 0.00 0.00 -1.17 -4.77 105.19 99.85 3a13 n GLY 110 Ca -0.02 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.47 1.61 2.35 -1.89 -3.06 115.58 114.13 3a13 h ASN 111 Ca 0.00 0.00 0.14 0.00 -0.55 0.00 0.00 56.30 55.89 3a13 h ASN 111 Cb 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 3a13 h ASN 111 CO 0.00 0.00 0.40 0.16 -1.65 0.00 0.00 177.43 176.34 3a13 h ILE 112 N 0.00 0.56 0.00 2.81 3.07 -1.89 0.08 117.51 122.13 3a13 h ILE 112 Ca 0.05 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.46 3a13 h ILE 112 Cb 0.27 0.71 0.00 0.00 -0.27 0.00 0.00 36.82 37.52 3a13 h ILE 112 CO -0.00 0.00 0.00 -0.26 -1.05 0.00 0.00 178.15 176.84 3a13 h PHE 113 N 0.00 0.00 -0.23 0.16 0.04 -1.90 -3.07 116.94 111.94 3a13 h PHE 113 Ca 0.22 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.99 3a13 h PHE 113 Cb 1.02 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.17 3a13 h PHE 113 CO 0.00 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.12 3a13 n GLY 114 N -0.17 1.27 3.72 -1.45 0.00 0.01 -4.86 105.19 103.72 3a13 n GLY 114 Ca 0.01 -0.52 -0.42 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.23 4.34 0.51 1.61 -1.94 -1.16 -4.90 119.30 116.53 3a13 s MET 115 Ca 0.26 2.07 0.24 0.00 -1.71 0.00 0.00 55.69 56.55 3a13 s MET 115 Cb 0.16 -3.22 1.37 0.00 2.01 0.00 0.00 34.83 35.14 3a13 s MET 115 CO 0.22 -0.37 2.07 0.87 -0.01 0.00 0.00 175.02 177.81 3a13 h LYS 116 N 6.20 0.00 0.00 2.03 1.57 -1.94 -2.21 116.57 122.21 3a13 h LYS 116 Ca -0.43 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 3a13 h LYS 116 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 3a13 h LYS 116 CO 0.83 0.12 0.00 -2.13 -0.57 0.00 0.00 179.45 177.70 3a13 n ARG 117 N -3.89 0.02 -5.15 3.15 0.63 -1.26 -4.50 116.66 105.66 3a13 n ARG 117 Ca -0.02 0.18 -0.32 0.00 -0.92 0.00 0.00 57.85 56.76 3a13 n ARG 117 Cb 0.22 -1.50 -0.17 0.00 0.45 0.00 0.00 32.46 31.46 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 -2.97 2.22 0.22 5.15 -7.23 -0.83 -1.68 120.40 115.27 3a13 s VAL 118 Ca 0.09 -0.96 0.08 0.00 -1.81 0.00 0.00 61.98 59.38 3a13 s VAL 118 Cb 0.12 -1.86 -0.09 0.00 0.56 0.00 0.00 36.38 35.11 3a13 s VAL 118 CO 0.33 0.55 1.49 0.07 -0.31 0.00 0.00 175.10 177.24 3a13 h LYS 119 N 6.68 0.06 -2.62 4.82 -0.00 -0.67 -3.44 116.57 121.40 3a13 h LYS 119 Ca -0.21 -0.05 -0.08 0.00 -0.00 0.00 0.00 60.65 60.31 3a13 h LYS 119 Cb 1.23 0.01 -0.19 0.00 -0.00 0.00 0.00 32.23 33.29 3a13 h LYS 119 CO 0.48 0.77 -0.04 0.20 -0.00 0.00 0.00 179.45 180.87 3a13 s GLY 120 N -4.51 -0.36 -0.16 0.07 0.00 -1.10 -5.00 107.32 96.25 3a13 s GLY 120 Ca -0.01 0.72 -0.05 0.00 0.00 0.00 0.00 44.72 45.38 3a13 s GLY 120 CO 0.79 0.44 0.30 -2.27 0.00 0.00 0.00 173.10 172.35 3a13 s LEU 121 N -1.46 -0.37 -0.17 0.66 2.96 -0.95 -1.54 118.68 117.80 3a13 s LEU 121 Ca -0.10 0.57 0.01 0.00 -0.22 0.00 0.00 54.13 54.39 3a13 s LEU 121 Cb -0.02 0.82 0.02 0.00 0.50 0.00 0.00 46.19 47.52 3a13 s LEU 121 CO 0.05 -0.25 -0.17 -0.60 -1.32 0.00 0.00 176.35 174.05 3a13 s ARG 122 N 2.46 2.71 -0.39 1.98 6.06 -0.42 -0.89 118.95 130.46 3a13 s ARG 122 Ca 0.02 -0.77 -0.29 0.00 -2.50 0.00 0.00 55.73 52.19 3a13 s ARG 122 Cb -0.13 -2.44 0.01 0.00 0.06 0.00 0.00 34.95 32.46 3a13 s ARG 122 CO -0.10 -0.24 1.27 -1.17 -2.50 0.00 0.00 175.30 172.56 3a13 s LEU 123 N 1.35 3.72 -0.17 -0.88 2.96 0.23 -0.43 118.68 125.46 3a13 s LEU 123 Ca 0.04 0.85 0.05 0.00 -0.22 0.00 0.00 54.13 54.86 3a13 s LEU 123 Cb -0.13 -3.54 -0.22 0.00 0.50 0.00 0.00 46.19 42.79 3a13 s LEU 123 CO -0.12 -1.23 0.15 -0.62 -1.32 0.00 0.00 176.35 173.21 3a13 n GLU 124 N 7.67 0.68 -3.50 1.98 -0.58 0.10 -0.93 120.64 126.07 3a13 n GLU 124 Ca 0.14 0.17 -0.13 0.00 -0.42 0.00 0.00 57.16 56.92 3a13 n GLU 124 Cb 0.48 -1.62 -0.04 0.00 -0.57 0.00 0.00 31.44 29.69 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 -6.34 -0.50 -0.17 1.62 -1.08 -1.16 -4.44 116.67 104.61 3a13 s ASP 125 Ca -0.21 0.10 -0.01 0.00 -0.52 0.00 0.00 52.55 51.92 3a13 s ASP 125 Cb 0.07 0.55 0.04 0.00 -1.46 0.00 0.00 42.92 42.13 3a13 s ASP 125 CO 0.74 -0.84 -0.03 -0.76 0.52 0.00 0.00 175.17 174.79 3a13 s LEU 126 N -2.34 1.50 -0.03 -1.34 1.43 -1.26 -1.31 118.68 115.32 3a13 s LEU 126 Ca -0.02 -0.67 -0.23 0.00 -1.03 0.00 0.00 54.13 52.19 3a13 s LEU 126 Cb -0.00 -0.83 -0.04 0.00 0.03 0.00 0.00 46.19 45.34 3a13 s LEU 126 CO -0.07 -0.21 0.67 -0.47 0.23 0.00 0.00 176.35 176.50 3a13 s TYR 127 N 1.69 3.63 -0.18 0.29 5.04 0.14 -4.94 117.35 123.02 3a13 s TYR 127 Ca 0.00 1.25 -0.02 0.00 -2.44 0.00 0.00 57.07 55.86 3a13 s TYR 127 Cb -0.15 -2.74 -0.01 0.00 0.35 0.00 0.00 41.96 39.41 3a13 s TYR 127 CO -0.07 0.20 -0.10 -0.06 -1.34 0.00 0.00 175.55 174.18 3a13 s PHE 128 N 0.38 2.88 0.72 4.97 0.40 -1.26 -2.09 117.98 123.98 3a13 s PHE 128 Ca 0.35 -0.90 -0.14 0.00 -0.60 0.00 0.00 56.93 55.64 3a13 s PHE 128 Cb -0.18 -1.98 0.04 0.00 0.51 0.00 0.00 43.02 41.41 3a13 s PHE 128 CO 0.18 -0.44 1.17 -1.25 0.70 0.00 0.00 175.22 175.58 3a13 s PRO 129 N 0.99 2.26 0.33 0.24 0.04 -1.26 -4.68 135.00 132.92 3a13 s PRO 129 Ca -0.01 1.61 0.11 0.00 0.04 0.00 0.00 61.00 62.76 3a13 s PRO 129 Cb -0.15 -1.86 1.01 0.00 0.04 0.00 0.00 34.50 33.54 3a13 s PRO 129 CO -0.01 -1.71 1.63 1.49 0.04 0.00 0.00 177.00 178.44 3a13 h GLU 130 N -0.34 0.18 -0.80 4.56 4.81 -1.81 0.26 114.58 121.43 3a13 h GLU 130 Ca -0.47 -0.01 0.08 0.00 -0.13 0.00 0.00 59.36 58.83 3a13 h GLU 130 Cb 1.28 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 30.56 3a13 h GLU 130 CO 0.50 0.12 0.52 -0.22 -0.73 0.00 0.00 179.01 179.21 3a13 h LYS 131 N 0.18 0.80 0.05 1.92 3.64 -1.91 -0.54 116.57 120.72 3a13 h LYS 131 Ca 0.70 -0.05 -0.20 0.00 -1.27 0.00 0.00 60.65 59.83 3a13 h LYS 131 Cb 1.61 -0.18 0.02 0.00 -0.41 0.00 0.00 32.23 33.27 3a13 h LYS 131 CO -0.69 0.53 -0.81 -0.07 -2.27 0.00 0.00 179.45 176.13 3a13 h LEU 132 N 0.82 0.63 -0.81 5.20 4.07 -0.84 -3.12 115.31 121.26 3a13 h LEU 132 Ca 0.36 -0.81 0.19 0.00 0.08 0.00 0.00 57.88 57.70 3a13 h LEU 132 Cb 0.32 -0.20 -0.12 0.00 1.08 0.00 0.00 40.66 41.75 3a13 h LEU 132 CO -0.13 1.36 0.25 0.40 -1.08 0.00 0.00 178.44 179.24 3a13 h ILE 133 N -0.03 0.47 0.00 1.22 1.08 -0.96 0.27 117.51 119.56 3a13 h ILE 133 Ca -0.12 -0.10 0.00 0.00 -0.39 0.00 0.00 64.86 64.25 3a13 h ILE 133 Cb 1.53 0.14 0.00 0.00 -3.07 0.00 0.00 36.82 35.43 3a13 h ILE 133 CO 0.16 0.05 0.00 0.54 -0.69 0.00 0.00 178.15 178.21 3a13 n ARG 134 N -5.14 0.39 0.00 2.37 1.74 -0.26 -1.26 116.66 114.49 3a13 n ARG 134 Ca 0.18 0.07 0.15 0.00 -0.77 0.00 0.00 57.85 57.48 3a13 n ARG 134 Cb 0.55 -1.50 0.84 0.00 -1.02 0.00 0.00 32.46 31.33 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 -1.23 1.07 -4.28 5.56 1.02 0.97 -4.84 120.64 118.91 3a13 n GLU 135 Ca 0.12 -0.19 -0.23 0.00 -0.02 0.00 0.00 57.16 56.83 3a13 n GLU 135 Cb 0.15 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.01 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 -2.07 2.71 -0.13 -0.32 0.08 -0.39 -4.90 117.98 112.96 3a13 s PHE 136 Ca 0.44 -0.23 0.18 0.00 0.12 0.00 0.00 56.93 57.44 3a13 s PHE 136 Cb 0.22 -1.23 -0.27 0.00 -0.57 0.00 0.00 43.02 41.17 3a13 s PHE 136 CO 0.38 0.60 0.20 -0.25 -0.10 0.00 0.00 175.22 176.05 3a13 n ASP 137 N -0.92 0.24 -0.40 1.36 8.00 -1.25 -4.98 116.55 118.60 3a13 n ASP 137 Ca -0.06 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.48 3a13 n ASP 137 Cb 0.59 1.32 -0.01 0.00 -0.02 0.00 0.00 41.12 43.00 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 1.64 -2.01 3.75 0.44 0.00 -0.59 -4.71 105.19 103.72 3a13 n GLY 138 Ca -0.22 -1.38 -0.42 0.00 0.00 0.00 0.00 46.02 44.01 3a13 n GLY 138 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3a13 n PRO 139 N -1.51 2.75 0.09 1.61 -0.02 -1.24 -4.28 135.00 132.41 3a13 n PRO 139 Ca 0.00 0.98 -0.03 0.00 -2.02 0.00 0.00 63.50 62.43 3a13 n PRO 139 Cb 0.13 -2.77 0.19 0.00 -0.02 0.00 0.00 33.50 31.03 3a13 n PRO 139 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3a13 h ALA 140 N 4.89 1.03 0.00 3.55 0.00 -1.88 -3.39 119.26 123.46 3a13 h ALA 140 Ca -0.47 -0.45 -0.26 0.00 0.00 0.00 0.00 54.91 53.72 3a13 h ALA 140 Cb 1.22 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 3a13 h ALA 140 CO 0.80 0.63 -1.89 1.19 0.00 0.00 0.00 179.25 179.98 3a13 n PHE 141 N -3.98 0.00 -4.56 0.00 3.72 -1.26 -4.94 117.46 106.44 3a13 n PHE 141 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 3a13 n PHE 141 Cb 0.52 -0.57 0.00 0.00 -0.94 0.00 0.00 39.48 38.49 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 2.09 -0.83 0.30 1.37 0.00 -1.26 -0.18 105.19 106.69 3a13 n GLY 142 Ca -0.31 -0.90 -0.02 0.00 0.00 0.00 0.00 46.02 44.79 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 0.00 1.09 -0.04 -0.61 2.04 -1.46 -1.80 117.51 116.74 3a13 h ILE 143 Ca 0.00 -0.33 0.02 0.00 1.00 0.00 0.00 64.86 65.55 3a13 h ILE 143 Cb 0.00 0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.11 3a13 h ILE 143 CO 0.00 0.17 -0.07 -0.33 0.00 0.00 0.00 178.15 177.92 3a13 h GLU 144 N 0.95 -0.10 -0.43 2.37 5.08 -1.84 -1.49 114.58 119.13 3a13 h GLU 144 Ca 0.32 0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 58.56 3a13 h GLU 144 Cb 0.05 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 3a13 h GLU 144 CO -0.13 -0.07 -0.23 0.78 -1.00 0.00 0.00 179.01 178.37 3a13 h GLY 145 N -0.10 0.99 1.12 -3.84 0.00 -0.31 -1.72 103.07 99.20 3a13 h GLY 145 Ca 0.04 -0.91 -0.15 0.00 0.00 0.00 0.00 47.33 46.32 3a13 h GLY 145 CO -0.10 0.82 -0.33 -2.08 0.00 0.00 0.00 176.54 174.85 3a13 h VAL 146 N 0.74 1.27 -0.47 4.60 2.07 -1.30 0.99 116.25 124.15 3a13 h VAL 146 Ca 0.09 -1.50 -0.04 0.00 0.82 0.00 0.00 66.70 66.07 3a13 h VAL 146 Cb 0.80 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.87 3a13 h VAL 146 CO 0.07 0.51 0.11 0.03 0.02 0.00 0.00 177.57 178.31 3a13 h ARG 147 N 0.78 0.71 0.02 1.57 3.08 -1.23 -1.23 114.38 118.08 3a13 h ARG 147 Ca 0.07 -0.14 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 3a13 h ARG 147 Cb 0.92 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.86 3a13 h ARG 147 CO 0.09 0.65 -0.01 -0.22 -1.07 0.00 0.00 179.97 179.41 3a13 h LYS 148 N 0.69 -0.03 -1.01 0.04 3.64 -1.04 0.28 116.57 119.14 3a13 h LYS 148 Ca 0.16 0.00 0.24 0.00 -1.27 0.00 0.00 60.65 59.78 3a13 h LYS 148 Cb 0.26 0.01 -0.11 0.00 -0.41 0.00 0.00 32.23 31.98 3a13 h LYS 148 CO -0.00 0.50 0.62 1.98 -2.27 0.00 0.00 179.45 180.28 3a13 h MET 149 N -0.57 0.53 0.00 1.90 4.05 -0.70 -2.10 114.93 118.05 3a13 h MET 149 Ca -0.00 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.39 3a13 h MET 149 Cb 0.54 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 31.22 3a13 h MET 149 CO 0.00 0.35 -1.13 1.28 0.23 0.00 0.00 176.91 177.64 3a13 n LEU 150 N -4.78 0.81 -3.69 3.39 4.77 -0.47 -4.92 117.00 112.11 3a13 n LEU 150 Ca 0.26 -0.38 -0.23 0.00 -0.03 0.00 0.00 56.01 55.62 3a13 n LEU 150 Cb 0.76 -0.01 0.05 0.00 -2.33 0.00 0.00 43.42 41.89 3a13 n LEU 150 CO 0.20 0.20 0.06 -0.62 -1.33 0.00 0.00 177.39 175.90 3a13 n GLU 151 N -1.63 -5.91 -4.01 3.23 1.02 0.95 -4.23 120.64 110.04 3a13 n GLU 151 Ca 0.03 0.69 -0.31 0.00 -0.02 0.00 0.00 57.16 57.55 3a13 n GLU 151 Cb 0.37 -5.51 -0.15 0.00 -0.02 0.00 0.00 31.44 26.13 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 -3.46 2.14 -0.05 -3.67 1.01 -0.86 -4.97 121.20 111.35 3a13 s ILE 152 Ca 0.26 -2.06 -0.23 0.00 0.00 0.00 0.00 60.65 58.63 3a13 s ILE 152 Cb -0.13 -2.49 -0.17 0.00 0.01 0.00 0.00 42.46 39.68 3a13 s ILE 152 CO 0.79 -0.43 0.97 0.50 0.00 0.00 0.00 174.94 176.77 3a13 h LYS 153 N 7.69 -0.17 0.00 2.79 3.64 -1.94 -3.44 116.57 125.16 3a13 h LYS 153 Ca -0.09 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 3a13 h LYS 153 Cb 1.03 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.89 3a13 h LYS 153 CO 0.50 0.30 -0.91 -0.25 -2.27 0.00 0.00 179.45 176.82 3a13 n ASP 154 N -4.90 3.92 -4.79 4.20 8.00 -1.26 -5.06 116.55 116.65 3a13 n ASP 154 Ca -0.08 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.11 3a13 n ASP 154 Cb 0.27 0.13 0.07 0.00 -0.02 0.00 0.00 41.12 41.58 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 -1.91 2.59 0.37 -1.24 1.70 -1.26 -4.65 118.95 114.54 3a13 s ARG 155 Ca 0.00 1.06 -0.27 0.00 -0.47 0.00 0.00 55.73 56.04 3a13 s ARG 155 Cb 0.00 -1.94 -0.10 0.00 -0.57 0.00 0.00 34.95 32.34 3a13 s ARG 155 CO 0.00 -1.38 1.31 -1.25 -1.08 0.00 0.00 175.30 172.90 3a13 s PRO 156 N -4.98 4.17 0.62 3.89 0.04 -1.17 -4.91 135.00 132.68 3a13 s PRO 156 Ca 0.60 2.19 -0.16 0.00 0.04 0.00 0.00 61.00 63.66 3a13 s PRO 156 Cb -0.16 -2.92 -0.02 0.00 0.04 0.00 0.00 34.50 31.45 3a13 s PRO 156 CO 0.56 -0.33 1.12 0.42 0.04 0.00 0.00 177.00 178.80 3a13 s ILE 157 N -1.20 3.21 -0.01 0.56 -1.09 -0.98 -4.85 121.20 116.84 3a13 s ILE 157 Ca 0.53 0.62 -0.00 0.00 -2.23 0.00 0.00 60.65 59.56 3a13 s ILE 157 Cb -0.39 -3.16 0.02 0.00 -1.58 0.00 0.00 42.46 37.35 3a13 s ILE 157 CO 0.51 -0.30 0.02 -0.47 -1.23 0.00 0.00 174.94 173.47 3a13 s TYR 158 N -2.17 0.02 0.31 3.97 5.04 -1.26 -0.21 117.35 123.05 3a13 s TYR 158 Ca 0.69 0.08 -0.15 0.00 -2.44 0.00 0.00 57.07 55.25 3a13 s TYR 158 Cb -0.22 -0.14 0.02 0.00 0.35 0.00 0.00 41.96 41.98 3a13 s TYR 158 CO 0.37 -0.05 0.65 0.20 -1.34 0.00 0.00 175.55 175.38 3a13 s GLY 159 N 0.62 0.43 -0.03 8.97 0.00 -0.61 0.13 107.32 116.83 3a13 s GLY 159 Ca -0.05 -0.76 0.01 0.00 0.00 0.00 0.00 44.72 43.92 3a13 s GLY 159 CO -0.02 -0.42 -0.04 0.14 0.00 0.00 0.00 173.10 172.77 3a13 s VAL 160 N -3.32 0.43 -0.20 1.40 1.01 -0.83 -1.61 120.40 117.29 3a13 s VAL 160 Ca 0.18 -0.11 -0.13 0.00 0.00 0.00 0.00 61.98 61.92 3a13 s VAL 160 Cb -0.04 -0.45 -0.05 0.00 0.00 0.00 0.00 36.38 35.85 3a13 s VAL 160 CO 0.11 0.18 0.26 -0.69 0.00 0.00 0.00 175.10 174.96 3a13 s VAL 161 N 0.65 5.31 0.23 2.92 1.01 -1.26 -4.46 120.40 124.79 3a13 s VAL 161 Ca -0.08 0.43 -0.31 0.00 0.00 0.00 0.00 61.98 62.02 3a13 s VAL 161 Cb -0.11 -3.60 -0.11 0.00 0.00 0.00 0.00 36.38 32.56 3a13 s VAL 161 CO -0.00 0.34 1.58 -2.84 0.00 0.00 0.00 175.10 174.18 3a13 s PRO 162 N 0.88 4.18 -0.08 2.72 0.02 -1.26 -4.48 135.00 136.97 3a13 s PRO 162 Ca 0.13 2.47 0.03 0.00 0.02 0.00 0.00 61.00 63.65 3a13 s PRO 162 Cb -0.13 -3.09 0.01 0.00 0.02 0.00 0.00 34.50 31.31 3a13 s PRO 162 CO 0.04 -0.61 -0.17 0.15 -0.33 0.00 0.00 177.00 176.09 3a13 s LYS 163 N 0.34 2.25 0.48 5.54 -0.14 -1.26 -3.55 119.74 123.39 3a13 s LYS 163 Ca 0.67 -0.61 -0.24 0.00 -1.36 0.00 0.00 55.97 54.43 3a13 s LYS 163 Cb -0.46 -1.77 -0.08 0.00 -1.68 0.00 0.00 37.83 33.84 3a13 s LYS 163 CO 0.39 0.09 1.35 -0.35 -0.76 0.00 0.00 175.35 176.07 3a13 n PRO 164 N 3.68 1.94 -0.31 -1.68 -0.04 -1.26 -5.01 135.00 132.33 3a13 n PRO 164 Ca -0.21 0.70 0.05 0.00 -0.04 0.00 0.00 63.50 63.99 3a13 n PRO 164 Cb 0.52 -2.53 0.13 0.00 -0.04 0.00 0.00 33.50 31.59 3a13 n PRO 164 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 3a13 h LYS 165 N 1.91 0.01 -4.35 0.54 1.57 -1.95 -3.44 116.57 110.85 3a13 h LYS 165 Ca -0.50 -0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.05 3a13 h LYS 165 Cb 1.29 -0.00 -0.13 0.00 0.08 0.00 0.00 32.23 33.47 3a13 h LYS 165 CO 0.59 0.01 -0.43 0.14 -0.57 0.00 0.00 179.45 179.18 3a13 s VAL 166 N -6.22 0.00 0.00 0.50 -7.23 -1.26 -4.60 120.40 101.59 3a13 s VAL 166 Ca -0.14 -1.81 0.00 0.00 -1.81 0.00 0.00 61.98 58.21 3a13 s VAL 166 Cb 0.25 -2.45 0.00 0.00 0.56 0.00 0.00 36.38 34.74 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 -0.38 0.73 3.62 2.32 0.00 -1.26 -5.09 105.19 105.13 3a13 n GLY 167 Ca 0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.00 2.76 0.48 1.61 -0.85 -1.26 -5.12 117.35 112.97 3a13 s TYR 168 Ca 0.00 -0.16 0.01 0.00 -0.52 0.00 0.00 57.07 56.40 3a13 s TYR 168 Cb 0.00 -1.37 0.01 0.00 0.38 0.00 0.00 41.96 40.98 3a13 s TYR 168 CO 0.00 0.50 0.71 -1.54 -1.52 0.00 0.00 175.55 173.69 3a13 s SER 169 N -2.75 5.63 0.25 -0.18 1.04 -1.26 -4.62 113.70 111.81 3a13 s SER 169 Ca 0.25 0.16 -0.05 0.00 0.48 0.00 0.00 55.95 56.79 3a13 s SER 169 Cb -0.10 -1.28 0.26 0.00 0.10 0.00 0.00 66.02 65.01 3a13 s SER 169 CO 0.17 -0.86 1.85 -0.65 0.98 0.00 0.00 173.24 174.73 3a13 h PRO 170 N 0.29 1.17 -0.13 4.02 0.11 -1.96 -0.43 132.00 135.07 3a13 h PRO 170 Ca -0.45 -0.15 -0.01 0.00 0.11 0.00 0.00 66.00 65.50 3a13 h PRO 170 Cb 1.27 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 3a13 h PRO 170 CO 0.55 0.88 0.04 0.93 -0.21 0.00 0.00 178.00 180.19 3a13 h GLU 171 N 1.16 0.20 -0.78 1.05 3.07 -1.94 0.23 114.58 117.57 3a13 h GLU 171 Ca 0.29 -0.04 0.06 0.00 -0.50 0.00 0.00 59.36 59.16 3a13 h GLU 171 Cb 0.08 -0.03 -0.05 0.00 -0.84 0.00 0.00 28.75 27.91 3a13 h GLU 171 CO -0.04 0.33 0.51 0.93 -1.40 0.00 0.00 179.01 179.34 3a13 h GLU 172 N 0.02 0.83 -0.34 2.33 5.08 -1.92 -2.63 114.58 117.96 3a13 h GLU 172 Ca 0.04 -0.05 -0.16 0.00 -1.00 0.00 0.00 59.36 58.19 3a13 h GLU 172 Cb 0.22 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 3a13 h GLU 172 CO -0.00 0.55 -0.42 0.35 -1.00 0.00 0.00 179.01 178.49 3a13 h PHE 173 N 0.86 1.02 -0.68 4.33 3.57 -0.61 -3.22 116.94 122.21 3a13 h PHE 173 Ca 0.33 -0.32 0.15 0.00 3.53 0.00 0.00 57.97 61.66 3a13 h PHE 173 Cb 0.20 -0.21 -0.11 0.00 2.79 0.00 0.00 35.95 38.62 3a13 h PHE 173 CO -0.00 1.12 0.08 1.49 -2.23 0.00 0.00 178.31 178.77 3a13 h GLU 174 N 0.68 0.18 -0.15 1.11 4.81 -0.56 -0.28 114.58 120.37 3a13 h GLU 174 Ca 0.05 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.24 3a13 h GLU 174 Cb 1.00 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.34 3a13 h GLU 174 CO 0.10 0.12 -0.02 -0.22 -0.73 0.00 0.00 179.01 178.25 3a13 h LYS 175 N 0.18 0.28 -0.52 1.92 1.63 -1.62 -2.33 116.57 116.11 3a13 h LYS 175 Ca 0.37 -0.10 0.05 0.00 -0.85 0.00 0.00 60.65 60.12 3a13 h LYS 175 Cb 0.62 -0.02 -0.05 0.00 -0.60 0.00 0.00 32.23 32.19 3a13 h LYS 175 CO -0.53 0.54 0.25 1.25 -3.45 0.00 0.00 179.45 177.51 3a13 h LEU 176 N -0.01 0.35 -0.74 5.20 5.85 -1.44 -1.74 115.31 122.79 3a13 h LEU 176 Ca 0.04 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 3a13 h LEU 176 Cb 0.43 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 3a13 h LEU 176 CO 0.01 0.24 0.33 0.00 -0.34 0.00 0.00 178.44 178.68 3a13 h ALA 177 N 1.29 0.96 -0.16 1.25 0.00 -1.02 -0.15 119.26 121.44 3a13 h ALA 177 Ca 0.23 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3a13 h ALA 177 Cb 0.16 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3a13 h ALA 177 CO -0.17 0.55 0.04 -0.92 0.00 0.00 0.00 179.25 178.75 3a13 h TYR 178 N 1.05 0.26 -0.45 0.00 3.20 -1.12 -1.16 116.97 118.75 3a13 h TYR 178 Ca 0.25 -0.03 -0.04 0.00 3.14 0.00 0.00 58.73 62.05 3a13 h TYR 178 Cb 0.16 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.34 3a13 h TYR 178 CO 0.01 0.37 0.11 -0.44 -1.64 0.00 0.00 178.16 176.57 3a13 h ASP 179 N 0.06 0.68 -0.08 -2.11 3.32 -1.07 -1.19 116.42 116.03 3a13 h ASP 179 Ca 0.05 -0.24 -0.01 0.00 0.02 0.00 0.00 57.03 56.86 3a13 h ASP 179 Cb 0.24 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.61 3a13 h ASP 179 CO -0.00 0.74 0.02 -0.07 -1.72 0.00 0.00 179.24 178.21 3a13 h LEU 180 N 0.59 0.13 -0.56 1.55 3.38 -0.95 -1.88 115.31 117.57 3a13 h LEU 180 Ca 0.14 -0.24 -0.12 0.00 0.09 0.00 0.00 57.88 57.75 3a13 h LEU 180 Cb 0.33 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3a13 h LEU 180 CO 0.00 0.33 -0.20 -0.07 0.09 0.00 0.00 178.44 178.60 3a13 h LEU 181 N -0.09 0.96 -1.78 1.67 3.38 -1.22 -1.76 115.31 116.47 3a13 h LEU 181 Ca 0.03 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.63 3a13 h LEU 181 Cb 0.26 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3a13 h LEU 181 CO 0.00 1.13 0.00 0.28 0.09 0.00 0.00 178.44 179.94 3a13 h SER 182 N 0.82 0.12 -0.56 -0.43 0.02 -1.15 -3.04 113.55 109.33 3a13 h SER 182 Ca 0.11 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 3a13 h SER 182 Cb 0.76 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.27 3a13 h SER 182 CO 0.06 0.15 0.00 0.59 -1.14 0.00 0.00 176.83 176.49 3a13 n ASN 183 N -4.46 5.00 0.00 3.07 3.02 -0.71 -4.93 115.26 116.25 3a13 n ASN 183 Ca -0.01 -2.69 0.00 0.00 -0.03 0.00 0.00 54.58 51.84 3a13 n ASN 183 Cb 0.13 -0.61 0.00 0.00 -0.61 0.00 0.00 39.78 38.70 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 0.71 1.21 3.72 7.41 0.00 -1.12 -3.07 105.19 114.06 3a13 n GLY 184 Ca 0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.93 3.88 0.09 4.61 0.00 -0.70 -4.90 121.76 123.80 3a13 s ALA 185 Ca 0.00 1.54 0.11 0.00 0.00 0.00 0.00 51.96 53.61 3a13 s ALA 185 Cb 0.00 -3.67 0.03 0.00 0.00 0.00 0.00 23.12 19.48 3a13 s ALA 185 CO 0.00 -0.90 1.42 -0.44 0.00 0.00 0.00 175.76 175.83 3a13 h ASP 186 N 6.50 0.00 -5.04 0.00 3.32 -0.64 -3.39 116.42 117.16 3a13 h ASP 186 Ca -0.44 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.54 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 0.92 0.76 -0.12 -0.72 -1.72 0.00 0.00 179.24 178.37 3a13 s TYR 187 N -3.00 -0.25 0.00 4.55 -0.85 -1.14 -1.85 117.35 114.80 3a13 s TYR 187 Ca 0.01 0.18 0.00 0.00 -0.52 0.00 0.00 57.07 56.74 3a13 s TYR 187 Cb 0.10 0.21 0.00 0.00 0.38 0.00 0.00 41.96 42.65 3a13 s TYR 187 CO 0.78 -0.57 0.00 -1.33 -1.52 0.00 0.00 175.55 172.91 3a13 n MET 188 N 0.47 1.94 -4.88 -3.49 2.81 -1.06 -1.96 117.12 110.96 3a13 n MET 188 Ca -0.18 0.00 -0.32 0.00 -1.81 0.00 0.00 57.70 55.39 3a13 n MET 188 Cb 0.60 0.00 -0.13 0.00 -0.71 0.00 0.00 33.22 32.98 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 -0.97 3.79 0.68 7.83 1.01 -0.78 -0.57 116.67 127.66 3a13 s ASP 190 Ca 0.00 -0.32 -0.16 0.00 0.71 0.00 0.00 52.55 52.78 3a13 s ASP 190 Cb 0.00 -0.69 0.01 0.00 1.01 0.00 0.00 42.92 43.26 3a13 s ASP 190 CO 0.00 0.31 1.18 -0.62 0.21 0.00 0.00 175.17 176.25 3a13 s ASP 191 N -0.96 4.66 0.61 0.27 2.15 -1.26 -4.85 116.67 117.29 3a13 s ASP 191 Ca 0.12 2.26 0.38 0.00 0.43 0.00 0.00 52.55 55.75 3a13 s ASP 191 Cb -0.10 -2.58 1.96 0.00 -0.30 0.00 0.00 42.92 41.90 3a13 s ASP 191 CO 0.02 -1.95 2.22 1.05 -0.17 0.00 0.00 175.17 176.34 3a13 h GLU 192 N 0.05 0.00 -0.29 4.34 9.09 -2.00 -0.61 114.58 125.16 3a13 h GLU 192 Ca -0.48 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.93 3a13 h GLU 192 Cb 1.28 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.38 3a13 h GLU 192 CO 0.52 0.02 0.00 0.27 0.05 0.00 0.00 179.01 179.87 3a13 n ASN 193 N -3.21 3.30 -4.59 3.06 6.94 -1.26 -4.87 115.26 114.63 3a13 n ASN 193 Ca -0.02 -1.98 -0.42 0.00 -0.02 0.00 0.00 54.58 52.15 3a13 n ASN 193 Cb 0.16 -0.18 -0.05 0.00 -2.36 0.00 0.00 39.78 37.35 3a13 n ASN 193 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 3a13 s LEU 194 N -1.58 4.12 0.00 -4.53 2.96 -0.24 -4.95 118.68 114.46 3a13 s LEU 194 Ca 0.35 0.41 0.00 0.00 -0.22 0.00 0.00 54.13 54.66 3a13 s LEU 194 Cb 0.21 -3.03 0.00 0.00 0.50 0.00 0.00 46.19 43.88 3a13 s LEU 194 CO 0.30 -0.71 0.00 0.35 -1.32 0.00 0.00 176.35 174.98 3a13 n THR 195 N 5.74 0.00 -2.95 3.68 -2.24 -1.26 -4.73 114.28 112.52 3a13 n THR 195 Ca 0.03 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.63 3a13 n THR 195 Cb 0.48 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.70 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 1.87 -4.55 3.42 2.88 -1.26 -4.05 113.62 111.93 3a13 n SER 196 Ca 0.00 -3.09 -0.29 0.00 -1.33 0.00 0.00 58.87 54.16 3a13 n SER 196 Cb 0.00 -0.57 0.17 0.00 -0.75 0.00 0.00 64.21 63.06 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 -2.87 0.41 0.27 -1.46 0.04 -1.24 -4.72 135.00 125.43 3a13 s PRO 197 Ca 0.39 0.27 -0.04 0.00 0.04 0.00 0.00 61.00 61.66 3a13 s PRO 197 Cb 0.37 -1.76 0.34 0.00 0.04 0.00 0.00 34.50 33.49 3a13 s PRO 197 CO -0.07 -2.69 1.88 0.11 0.04 0.00 0.00 177.00 176.28 3a13 h TRP 198 N -1.85 1.07 0.00 0.56 5.08 -2.01 -2.18 115.95 116.62 3a13 h TRP 198 Ca -0.51 -0.03 0.00 0.00 1.08 0.00 0.00 58.89 59.43 3a13 h TRP 198 Cb 1.32 -0.34 0.00 0.00 -3.00 0.00 0.00 29.16 27.14 3a13 h TRP 198 CO -0.18 0.76 0.00 2.48 -1.28 0.00 0.00 178.44 180.22 3a13 n TYR 199 N -4.34 0.00 -2.72 0.12 0.18 -1.26 -4.31 117.16 104.83 3a13 n TYR 199 Ca 0.08 0.00 -0.04 0.00 1.88 0.00 0.00 57.90 59.81 3a13 n TYR 199 Cb 0.11 -0.09 0.03 0.00 -0.38 0.00 0.00 39.34 39.02 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 -2.54 -4.76 9.48 2.85 -0.84 -4.14 115.26 114.22 3a13 n ASN 200 Ca 0.18 -2.23 -0.41 0.00 -0.11 0.00 0.00 54.58 52.01 3a13 n ASN 200 Cb 0.13 1.34 -0.02 0.00 1.24 0.00 0.00 39.78 42.47 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 0.81 4.34 0.19 1.20 1.81 -1.11 -3.65 118.95 122.54 3a13 s ARG 201 Ca 0.28 2.22 -0.14 0.00 -1.72 0.00 0.00 55.73 56.37 3a13 s ARG 201 Cb 0.09 -3.08 0.19 0.00 -0.45 0.00 0.00 34.95 31.70 3a13 s ARG 201 CO -0.10 -0.24 1.67 0.35 -0.68 0.00 0.00 175.30 176.31 3a13 h PHE 202 N 3.79 -0.09 -0.15 -0.53 3.57 -1.85 -1.67 116.94 120.01 3a13 h PHE 202 Ca -0.48 0.04 -0.15 0.00 3.53 0.00 0.00 57.97 60.90 3a13 h PHE 202 Cb 1.22 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 40.07 3a13 h PHE 202 CO 0.57 -0.14 -0.55 1.05 -2.23 0.00 0.00 178.31 177.00 3a13 h GLU 203 N 0.08 0.45 0.76 1.11 9.09 -1.94 0.66 114.58 124.80 3a13 h GLU 203 Ca 0.25 -0.29 -0.04 0.00 0.05 0.00 0.00 59.36 59.34 3a13 h GLU 203 Cb 0.39 0.03 0.00 0.00 -1.65 0.00 0.00 28.75 27.52 3a13 h GLU 203 CO -0.45 0.89 -0.39 0.93 0.05 0.00 0.00 179.01 180.04 3a13 h GLU 204 N 0.35 -1.02 0.00 1.06 5.08 -1.88 0.34 114.58 118.51 3a13 h GLU 204 Ca 0.01 0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 3a13 h GLU 204 Cb 1.08 0.23 -0.00 0.00 0.50 0.00 0.00 28.75 30.55 3a13 h GLU 204 CO 0.10 -0.68 -0.10 0.07 -1.00 0.00 0.00 179.01 177.40 3a13 h ARG 205 N -1.05 0.00 -0.27 2.33 0.11 -1.18 -2.02 114.38 112.29 3a13 h ARG 205 Ca -0.10 0.00 -0.17 0.00 0.10 0.00 0.00 59.98 59.81 3a13 h ARG 205 Cb 0.82 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.90 3a13 h ARG 205 CO 0.16 0.10 -0.51 0.00 0.10 0.00 0.00 179.97 179.81 3a13 h ALA 206 N 1.90 0.58 -0.07 0.08 0.00 -0.58 -2.12 119.26 119.05 3a13 h ALA 206 Ca -0.00 -0.50 0.02 0.00 0.00 0.00 0.00 54.91 54.43 3a13 h ALA 206 Cb 0.24 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3a13 h ALA 206 CO 0.01 0.68 -0.04 0.93 0.00 0.00 0.00 179.25 180.83 3a13 h GLU 207 N 0.60 -0.04 -0.08 0.00 4.39 -0.21 -1.86 114.58 117.37 3a13 h GLU 207 Ca 0.02 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.75 3a13 h GLU 207 Cb 1.10 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.73 3a13 h GLU 207 CO 0.11 -0.03 -0.06 0.82 -1.16 0.00 0.00 179.01 178.69 3a13 h ILE 208 N -0.05 0.81 -0.75 3.13 2.04 -1.46 -2.66 117.51 118.58 3a13 h ILE 208 Ca 0.05 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.89 3a13 h ILE 208 Cb 0.11 0.81 -0.04 0.00 -0.74 0.00 0.00 36.82 36.97 3a13 h ILE 208 CO -0.10 0.00 0.42 0.24 0.00 0.00 0.00 178.15 178.71 3a13 h MET 209 N -0.07 1.03 -0.78 2.37 2.86 -1.28 0.27 114.93 119.32 3a13 h MET 209 Ca 0.06 -0.11 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 3a13 h MET 209 Cb 0.15 -0.21 -0.04 0.00 0.06 0.00 0.00 31.60 31.56 3a13 h MET 209 CO -0.13 0.75 0.40 0.00 1.06 0.00 0.00 176.91 178.99 3a13 h ALA 210 N 1.42 1.24 -0.01 6.32 0.00 -1.14 0.73 119.26 127.82 3a13 h ALA 210 Ca 0.27 -0.13 -0.21 0.00 0.00 0.00 0.00 54.91 54.83 3a13 h ALA 210 Cb 0.01 -0.31 0.02 0.00 0.00 0.00 0.00 17.79 17.50 3a13 h ALA 210 CO -0.05 0.60 -0.82 -0.22 0.00 0.00 0.00 179.25 178.76 3a13 h LYS 211 N 1.10 0.57 -0.37 0.00 3.64 -0.98 -2.72 116.57 117.82 3a13 h LYS 211 Ca 0.27 -0.60 -0.09 0.00 -1.27 0.00 0.00 60.65 58.96 3a13 h LYS 211 Cb 0.06 0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.04 3a13 h LYS 211 CO -0.04 1.22 -0.15 0.82 -2.27 0.00 0.00 179.45 179.03 3a13 h ILE 212 N 0.16 1.26 -0.29 2.00 2.04 -0.36 -1.72 117.51 120.59 3a13 h ILE 212 Ca -0.10 -1.17 -0.04 0.00 1.00 0.00 0.00 64.86 64.55 3a13 h ILE 212 Cb 1.50 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 38.71 3a13 h ILE 212 CO 0.16 0.39 0.03 0.40 0.00 0.00 0.00 178.15 179.13 3a13 h ILE 213 N 0.60 1.24 -0.79 -0.67 2.04 -0.89 -0.49 117.51 118.55 3a13 h ILE 213 Ca 0.10 -0.86 0.04 0.00 1.00 0.00 0.00 64.86 65.14 3a13 h ILE 213 Cb 0.60 1.24 -0.05 0.00 -0.74 0.00 0.00 36.82 37.87 3a13 h ILE 213 CO 0.04 0.28 0.49 0.44 0.00 0.00 0.00 178.15 179.40 3a13 h ASP 214 N 0.30 0.79 0.34 1.72 3.32 -1.40 -1.02 116.42 120.48 3a13 h ASP 214 Ca 0.09 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 3a13 h ASP 214 Cb 0.38 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.77 3a13 h ASP 214 CO 0.01 0.53 -0.16 0.50 -1.72 0.00 0.00 179.24 178.40 3a13 h LYS 215 N 0.94 -0.44 -0.37 3.56 3.64 -1.08 -1.99 116.57 120.81 3a13 h LYS 215 Ca 0.33 0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.69 3a13 h LYS 215 Cb 0.07 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.97 3a13 h LYS 215 CO -0.13 -0.18 0.06 0.28 -2.27 0.00 0.00 179.45 177.20 3a13 h VAL 216 N -0.66 1.19 -0.35 2.00 2.07 -1.00 0.44 116.25 119.94 3a13 h VAL 216 Ca -0.05 -0.70 -0.12 0.00 0.82 0.00 0.00 66.70 66.66 3a13 h VAL 216 Cb 0.47 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 3a13 h VAL 216 CO 0.08 0.25 -0.24 -0.33 0.02 0.00 0.00 177.57 177.34 3a13 h GLU 217 N 0.55 0.77 0.43 1.57 5.08 -1.16 0.91 114.58 122.73 3a13 h GLU 217 Ca 0.12 -0.37 -0.01 0.00 -1.00 0.00 0.00 59.36 58.10 3a13 h GLU 217 Cb 0.26 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 3a13 h GLU 217 CO 0.00 0.99 -0.29 -0.97 -1.00 0.00 0.00 179.01 177.74 3a13 h ASN 218 N 0.55 -0.75 -0.09 1.42 -0.73 -0.88 0.31 115.58 115.41 3a13 h ASN 218 Ca 0.07 0.05 -0.06 0.00 1.87 0.00 0.00 56.30 58.23 3a13 h ASN 218 Cb 0.80 0.23 -0.01 0.00 0.27 0.00 0.00 38.32 39.61 3a13 h ASN 218 CO 0.07 -0.45 -0.10 -0.33 -0.37 0.00 0.00 177.43 176.25 3a13 h GLU 219 N -0.70 0.39 0.00 6.67 5.08 -0.87 -3.33 114.58 121.81 3a13 h GLU 219 Ca -0.04 -0.09 -0.04 0.00 -1.00 0.00 0.00 59.36 58.18 3a13 h GLU 219 Cb 0.59 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 3a13 h GLU 219 CO 0.03 0.49 -1.61 0.25 -1.00 0.00 0.00 179.01 177.17 3a13 n THR 220 N -4.25 0.16 -0.89 1.13 -2.24 0.31 -4.99 114.28 103.50 3a13 n THR 220 Ca 0.00 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 3a13 n THR 220 Cb 0.28 0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.54 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 1.89 0.74 3.89 3.38 0.00 0.11 -5.01 105.19 110.19 3a13 n GLY 221 Ca -0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.25 3.42 0.32 1.61 2.02 -1.26 -5.05 118.70 119.51 3a13 s GLU 222 Ca 0.00 -0.29 -0.26 0.00 0.02 0.00 0.00 54.97 54.44 3a13 s GLU 222 Cb 0.00 -3.11 -0.10 0.00 0.10 0.00 0.00 34.13 31.03 3a13 s GLU 222 CO 0.00 0.70 0.96 0.15 0.02 0.00 0.00 175.26 177.08 3a13 s LYS 223 N -1.74 4.58 0.13 1.61 -0.14 -1.26 -4.24 119.74 118.67 3a13 s LYS 223 Ca 0.24 1.37 0.04 0.00 -1.36 0.00 0.00 55.97 56.27 3a13 s LYS 223 Cb -0.12 -2.83 -0.04 0.00 -1.68 0.00 0.00 37.83 33.15 3a13 s LYS 223 CO 0.15 0.26 -0.09 0.15 -0.76 0.00 0.00 175.35 175.06 3a13 s LYS 224 N -1.99 0.99 0.37 1.68 -0.14 -1.26 -4.87 119.74 114.51 3a13 s LYS 224 Ca 0.50 -1.39 -0.06 0.00 -1.36 0.00 0.00 55.97 53.66 3a13 s LYS 224 Cb -0.20 -0.52 0.03 0.00 -1.68 0.00 0.00 37.83 35.45 3a13 s LYS 224 CO 0.25 0.06 0.59 -2.37 -0.76 0.00 0.00 175.35 173.12 3a13 n THR 225 N -0.07 0.00 -3.63 2.17 5.66 -0.77 -5.01 114.28 112.62 3a13 n THR 225 Ca -0.11 -1.52 -0.12 0.00 -3.05 0.00 0.00 64.05 59.24 3a13 n THR 225 Cb 0.60 1.07 -0.12 0.00 -1.55 0.00 0.00 70.33 70.33 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 -2.67 -0.52 -0.76 1.09 -0.00 -1.26 -2.55 118.94 112.26 3a13 s TRP 226 Ca 0.25 1.04 -0.24 0.00 -0.00 0.00 0.00 56.10 57.14 3a13 s TRP 226 Cb -0.02 0.02 0.05 0.00 -0.00 0.00 0.00 33.47 33.52 3a13 s TRP 226 CO 0.18 -0.42 1.19 -0.06 -0.00 0.00 0.00 176.95 177.84 3a13 s PHE 227 N 2.46 2.50 -0.29 5.86 0.08 0.26 -4.31 117.98 124.54 3a13 s PHE 227 Ca 0.02 -0.41 -0.18 0.00 0.12 0.00 0.00 56.93 56.48 3a13 s PHE 227 Cb -0.12 -4.51 -0.02 0.00 -0.57 0.00 0.00 43.02 37.80 3a13 s PHE 227 CO -0.10 -1.88 0.50 0.00 -0.10 0.00 0.00 175.22 173.63 3a13 s ALA 228 N 4.89 3.55 -0.72 5.36 0.00 -1.26 -1.87 121.76 131.71 3a13 s ALA 228 Ca 0.32 -0.77 -0.27 0.00 0.00 0.00 0.00 51.96 51.24 3a13 s ALA 228 Cb -0.10 -2.91 0.03 0.00 0.00 0.00 0.00 23.12 20.14 3a13 s ALA 228 CO 0.08 -0.90 1.29 1.21 0.00 0.00 0.00 175.76 177.45 3a13 s ASN 229 N 1.64 6.16 0.00 0.00 2.47 -1.26 -0.14 114.94 123.80 3a13 s ASN 229 Ca 0.20 -0.37 0.29 0.00 0.42 0.00 0.00 52.86 53.40 3a13 s ASN 229 Cb -0.16 -2.56 1.33 0.00 -1.45 0.00 0.00 41.25 38.41 3a13 s ASN 229 CO 0.11 -1.82 1.93 2.30 -3.72 0.00 0.00 177.10 175.89 3a13 n ILE 230 N 6.44 0.00 -1.65 -5.21 -5.35 -0.76 -4.74 119.36 108.09 3a13 n ILE 230 Ca 0.04 -0.03 -0.60 0.00 -0.27 0.00 0.00 62.75 61.89 3a13 n ILE 230 Cb 0.49 -0.26 -0.08 0.00 -1.74 0.00 0.00 39.64 38.05 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 -1.12 0.08 -0.23 7.28 -1.04 -1.26 -4.37 114.28 113.62 3a13 n THR 231 Ca 0.14 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.13 3a13 n THR 231 Cb 0.26 -0.65 0.00 0.00 -1.82 0.00 0.00 70.33 68.13 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 3.48 0.00 -0.88 2.41 0.00 -1.26 -4.89 120.51 119.37 3a13 n ALA 232 Ca 0.25 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.36 3a13 n ALA 232 Cb 0.08 0.00 0.13 0.00 0.00 0.00 0.00 19.45 19.66 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 0.07 -0.36 0.04 0.00 8.00 -1.26 -4.63 116.55 118.40 3a13 n ASP 233 Ca 0.00 0.45 -0.11 0.00 0.71 0.00 0.00 54.79 55.85 3a13 n ASP 233 Cb 0.00 -1.38 -0.04 0.00 -0.02 0.00 0.00 41.12 39.68 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 -1.40 -0.54 -0.62 0.64 5.85 -1.99 -1.36 115.31 115.89 3a13 h LEU 234 Ca -0.44 0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.39 3a13 h LEU 234 Cb 1.29 0.23 -0.04 0.00 0.37 0.00 0.00 40.66 42.51 3a13 h LEU 234 CO 0.40 -0.24 0.38 -0.07 -0.34 0.00 0.00 178.44 178.57 3a13 h LEU 235 N -0.28 0.62 -1.07 2.25 4.07 -2.00 -1.43 115.31 117.48 3a13 h LEU 235 Ca 0.07 0.00 0.04 0.00 0.08 0.00 0.00 57.88 58.07 3a13 h LEU 235 Cb 0.37 -0.13 -0.06 0.00 1.08 0.00 0.00 40.66 41.92 3a13 h LEU 235 CO -0.20 0.44 0.63 -0.33 -1.08 0.00 0.00 178.44 177.90 3a13 h GLU 236 N 0.75 1.16 -0.64 1.13 3.07 -1.77 -1.81 114.58 116.47 3a13 h GLU 236 Ca 0.25 -0.07 -0.06 0.00 -0.50 0.00 0.00 59.36 58.97 3a13 h GLU 236 Cb 0.01 -0.26 -0.03 0.00 -0.84 0.00 0.00 28.75 27.63 3a13 h GLU 236 CO -0.10 0.77 0.14 0.52 -1.40 0.00 0.00 179.01 178.94 3a13 h MET 237 N 1.19 1.01 -0.67 2.33 2.86 -0.42 -1.79 114.93 119.44 3a13 h MET 237 Ca 0.39 -0.24 0.02 0.00 -2.06 0.00 0.00 59.70 57.81 3a13 h MET 237 Cb 0.04 -0.14 -0.04 0.00 0.06 0.00 0.00 31.60 31.52 3a13 h MET 237 CO -0.12 0.91 0.42 0.93 1.06 0.00 0.00 176.91 180.11 3a13 h GLU 238 N 0.96 0.82 -0.45 1.72 5.08 -0.58 -0.18 114.58 121.95 3a13 h GLU 238 Ca 0.20 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.42 3a13 h GLU 238 Cb 0.36 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 3a13 h GLU 238 CO 0.00 0.54 -0.07 1.96 -1.00 0.00 0.00 179.01 180.44 3a13 h GLN 239 N 0.84 0.78 -0.13 2.33 4.20 -1.09 -2.07 115.11 119.96 3a13 h GLN 239 Ca 0.26 -0.24 -0.18 0.00 0.06 0.00 0.00 58.65 58.55 3a13 h GLN 239 Cb -0.01 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 27.69 3a13 h GLN 239 CO -0.09 0.84 -0.65 0.00 -0.67 0.00 0.00 178.83 178.26 3a13 h ARG 240 N 0.71 0.51 -0.69 1.46 3.08 -0.86 0.04 114.38 118.62 3a13 h ARG 240 Ca 0.13 -0.37 -0.02 0.00 0.07 0.00 0.00 59.98 59.79 3a13 h ARG 240 Cb 0.54 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.62 3a13 h ARG 240 CO 0.03 0.99 0.35 -0.07 -1.07 0.00 0.00 179.97 180.20 3a13 h LEU 241 N 0.37 0.89 -0.09 3.04 3.38 -0.95 -1.97 115.31 119.97 3a13 h LEU 241 Ca -0.01 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 3a13 h LEU 241 Cb 1.21 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.73 3a13 h LEU 241 CO 0.12 0.76 0.04 -0.08 0.09 0.00 0.00 178.44 179.36 3a13 h GLU 242 N 0.96 0.14 -0.62 1.13 4.81 -1.10 -1.44 114.58 118.46 3a13 h GLU 242 Ca 0.24 -0.02 0.12 0.00 -0.13 0.00 0.00 59.36 59.57 3a13 h GLU 242 Cb 0.09 -0.02 -0.09 0.00 0.63 0.00 0.00 28.75 29.35 3a13 h GLU 242 CO -0.03 0.25 0.13 0.28 -0.73 0.00 0.00 179.01 178.90 3a13 h VAL 243 N -0.00 0.62 -0.75 0.32 2.07 -0.87 0.15 116.25 117.79 3a13 h VAL 243 Ca 0.03 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.46 3a13 h VAL 243 Cb 0.16 0.34 -0.04 0.00 -1.52 0.00 0.00 31.29 30.23 3a13 h VAL 243 CO -0.00 0.05 0.46 -0.07 0.02 0.00 0.00 177.57 178.02 3a13 h LEU 244 N 0.26 0.89 -0.13 2.57 3.38 -1.07 -2.64 115.31 118.56 3a13 h LEU 244 Ca 0.33 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.22 3a13 h LEU 244 Cb 0.50 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 3a13 h LEU 244 CO -0.42 0.68 -0.01 0.00 0.09 0.00 0.00 178.44 178.78 3a13 h ALA 245 N 1.24 0.18 -0.67 1.53 0.00 -0.09 -1.86 119.26 119.59 3a13 h ALA 245 Ca 0.27 -0.21 0.17 0.00 0.00 0.00 0.00 54.91 55.14 3a13 h ALA 245 Cb -0.05 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 3a13 h ALA 245 CO -0.05 -0.10 0.47 -0.44 0.00 0.00 0.00 179.25 179.12 3a13 h ASP 246 N -0.05 0.16 0.35 0.00 3.32 -0.65 0.38 116.42 119.93 3a13 h ASP 246 Ca 0.04 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.10 3a13 h ASP 246 Cb 0.40 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.93 3a13 h ASP 246 CO 0.01 0.08 -0.17 0.18 -1.72 0.00 0.00 179.24 177.62 3a13 n LEU 247 N -4.41 0.64 -1.06 1.55 4.32 -1.01 -4.94 117.00 112.10 3a13 n LEU 247 Ca 0.13 -0.07 -0.12 0.00 -0.02 0.00 0.00 56.01 55.93 3a13 n LEU 247 Cb 0.62 -0.17 -0.03 0.00 -1.62 0.00 0.00 43.42 42.21 3a13 n LEU 247 CO 0.35 0.12 -0.13 0.61 -1.22 0.00 0.00 177.39 177.13 3a13 n GLY 248 N 1.32 0.78 3.73 -0.72 0.00 0.12 -4.96 105.19 105.46 3a13 n GLY 248 Ca 0.13 -0.45 -0.29 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.93 1.76 -0.01 0.99 1.43 -0.72 -5.03 118.68 114.16 3a13 s LEU 249 Ca 0.00 1.04 0.04 0.00 -1.03 0.00 0.00 54.13 54.17 3a13 s LEU 249 Cb 0.00 -3.27 -0.05 0.00 0.03 0.00 0.00 46.19 42.90 3a13 s LEU 249 CO 0.00 -2.89 0.06 0.29 0.23 0.00 0.00 176.35 174.04 3a13 n LYS 250 N -4.00 0.85 -4.59 1.70 5.02 -1.26 -4.78 118.16 111.10 3a13 n LYS 250 Ca 0.06 -0.03 -0.24 0.00 -2.02 0.00 0.00 58.31 56.09 3a13 n LYS 250 Cb 0.58 -1.09 -0.14 0.00 -0.02 0.00 0.00 35.03 34.37 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 -2.22 1.59 -0.08 2.13 3.76 -1.26 -0.41 115.29 118.80 3a13 s HIS 251 Ca -0.01 -0.35 0.03 0.00 -0.15 0.00 0.00 55.06 54.58 3a13 s HIS 251 Cb 0.02 -0.96 0.00 0.00 1.11 0.00 0.00 32.58 32.76 3a13 s HIS 251 CO 0.15 0.05 -0.19 0.00 -0.85 0.00 0.00 174.74 173.91 3a13 s ALA 252 N -0.74 1.75 -0.13 -1.40 0.00 0.05 -4.05 121.76 117.24 3a13 s ALA 252 Ca 0.06 -0.72 -0.11 0.00 0.00 0.00 0.00 51.96 51.18 3a13 s ALA 252 Cb -0.08 -0.68 -0.05 0.00 0.00 0.00 0.00 23.12 22.31 3a13 s ALA 252 CO 0.01 0.22 0.23 1.41 0.00 0.00 0.00 175.76 177.63 3a13 s MET 253 N 0.43 3.92 -0.04 0.00 1.75 0.80 -0.13 119.30 126.02 3a13 s MET 253 Ca -0.16 0.02 0.02 0.00 -1.25 0.00 0.00 55.69 54.32 3a13 s MET 253 Cb -0.16 -3.31 0.02 0.00 2.84 0.00 0.00 34.83 34.21 3a13 s MET 253 CO 0.06 0.50 -0.07 0.08 -0.65 0.00 0.00 175.02 174.94 3a13 s VAL 254 N -0.31 0.74 -0.96 10.11 1.01 0.28 -1.83 120.40 129.44 3a13 s VAL 254 Ca 0.16 -0.27 -0.24 0.00 0.00 0.00 0.00 61.98 61.63 3a13 s VAL 254 Cb -0.13 -0.71 0.03 0.00 0.00 0.00 0.00 36.38 35.57 3a13 s VAL 254 CO 0.04 0.26 1.52 -1.81 0.00 0.00 0.00 175.10 175.11 3a13 s ASP 255 N 0.66 6.22 0.17 3.32 1.01 -1.26 -0.60 116.67 126.18 3a13 s ASP 255 Ca -0.10 -1.17 -0.06 0.00 0.71 0.00 0.00 52.55 51.92 3a13 s ASP 255 Cb -0.13 -2.57 0.05 0.00 1.01 0.00 0.00 42.92 41.28 3a13 s ASP 255 CO 0.01 -1.76 1.48 -0.37 0.21 0.00 0.00 175.17 174.74 3a13 h VAL 256 N 6.79 1.30 0.01 -1.27 -1.51 -1.57 0.26 116.25 120.25 3a13 h VAL 256 Ca 0.12 -1.72 -0.00 0.00 -1.23 0.00 0.00 66.70 63.87 3a13 h VAL 256 Cb 1.02 1.65 0.00 0.00 -2.13 0.00 0.00 31.29 31.83 3a13 h VAL 256 CO 1.37 0.55 -0.00 0.58 -1.23 0.00 0.00 177.57 178.84 3a13 h VAL 257 N 0.55 1.07 -0.59 7.19 2.07 -1.81 -1.44 116.25 123.29 3a13 h VAL 257 Ca 0.02 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 67.27 3a13 h VAL 257 Cb 1.07 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 32.05 3a13 h VAL 257 CO 0.10 0.06 0.26 0.40 0.02 0.00 0.00 177.57 178.42 3a13 h ILE 258 N -0.12 1.22 -0.48 4.57 2.04 -1.68 -3.03 117.51 120.01 3a13 h ILE 258 Ca -0.00 -0.64 0.05 0.00 1.00 0.00 0.00 64.86 65.27 3a13 h ILE 258 Cb 0.11 0.55 -0.05 0.00 -0.74 0.00 0.00 36.82 36.70 3a13 h ILE 258 CO 0.00 0.26 0.21 0.74 0.00 0.00 0.00 178.15 179.36 3a13 h THR 259 N 0.80 0.90 0.00 -0.27 2.02 -0.73 -3.48 112.91 112.15 3a13 h THR 259 Ca 0.20 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.24 3a13 h THR 259 Cb 0.16 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 67.02 3a13 h THR 259 CO -0.02 0.08 0.00 0.61 0.37 0.00 0.00 175.52 176.55 3a13 n GLY 260 N -1.25 1.97 0.26 2.16 0.00 -0.56 -4.68 105.19 103.10 3a13 n GLY 260 Ca 0.04 -1.93 0.15 0.00 0.00 0.00 0.00 46.02 44.28 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 0.00 1.61 4.06 -1.88 -3.17 115.95 116.58 3a13 h TRP 261 Ca 0.00 0.00 -0.08 0.00 2.06 0.00 0.00 58.89 60.87 3a13 h TRP 261 Cb 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.15 3a13 h TRP 261 CO 0.00 0.00 -0.40 0.78 -3.56 0.00 0.00 178.44 175.26 3a13 h GLY 262 N 2.75 0.00 -0.04 1.49 0.00 -1.99 -3.29 103.07 101.99 3a13 h GLY 262 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3a13 h GLY 262 CO 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 176.54 176.43 3a13 n ALA 263 N -2.43 2.39 -0.08 3.60 0.00 -1.23 -4.80 120.51 117.96 3a13 n ALA 263 Ca -0.02 -0.15 -0.10 0.00 0.00 0.00 0.00 53.44 53.17 3a13 n ALA 263 Cb 0.45 -0.10 -0.03 0.00 0.00 0.00 0.00 19.45 19.76 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 0.10 0.34 -0.92 0.00 5.85 -1.62 -1.19 115.31 117.88 3a13 h LEU 264 Ca 0.00 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.55 3a13 h LEU 264 Cb 0.08 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 40.97 3a13 h LEU 264 CO 0.00 0.41 0.55 -0.09 -0.34 0.00 0.00 178.44 178.98 3a13 h ARG 265 N 0.25 1.25 -0.21 1.25 2.43 -1.87 0.71 114.38 118.20 3a13 h ARG 265 Ca 0.08 -0.12 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 3a13 h ARG 265 Cb 0.18 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 3a13 h ARG 265 CO -0.01 0.88 0.05 -0.92 -1.51 0.00 0.00 179.97 178.46 3a13 h TYR 266 N 1.27 0.36 -0.90 2.20 3.20 -1.82 0.28 116.97 121.55 3a13 h TYR 266 Ca 0.33 -0.05 0.06 0.00 3.14 0.00 0.00 58.73 62.21 3a13 h TYR 266 Cb -0.05 -0.10 -0.06 0.00 1.54 0.00 0.00 36.73 38.06 3a13 h TYR 266 CO 0.00 0.46 0.57 0.82 -1.64 0.00 0.00 178.16 178.38 3a13 h ILE 267 N 0.15 1.08 0.00 1.81 1.08 -0.75 0.22 117.51 121.10 3a13 h ILE 267 Ca 0.07 -0.36 -0.00 0.00 -0.39 0.00 0.00 64.86 64.17 3a13 h ILE 267 Cb 0.29 -0.07 0.00 0.00 -3.07 0.00 0.00 36.82 33.96 3a13 h ILE 267 CO 0.00 0.19 -0.00 -0.09 -0.69 0.00 0.00 178.15 177.56 3a13 h ARG 268 N 1.06 -0.00 -0.69 2.37 1.12 -0.59 -0.85 114.38 116.79 3a13 h ARG 268 Ca 0.39 0.00 0.05 0.00 -1.11 0.00 0.00 59.98 59.31 3a13 h ARG 268 Cb 0.13 0.00 -0.05 0.00 -0.01 0.00 0.00 29.97 30.04 3a13 h ARG 268 CO -0.16 0.28 0.40 -0.44 -3.11 0.00 0.00 179.97 176.94 3a13 h ASP 269 N -0.29 0.62 -0.24 -3.80 3.32 -0.01 0.82 116.42 116.84 3a13 h ASP 269 Ca -0.00 0.02 0.03 0.00 0.02 0.00 0.00 57.03 57.10 3a13 h ASP 269 Cb 0.29 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.70 3a13 h ASP 269 CO 0.00 0.41 0.05 0.25 -1.72 0.00 0.00 179.24 178.23 3a13 h LEU 270 N 0.75 0.03 -0.45 1.55 5.85 -0.43 -1.20 115.31 121.40 3a13 h LEU 270 Ca 0.30 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 59.03 3a13 h LEU 270 Cb 0.14 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 3a13 h LEU 270 CO -0.16 0.05 0.17 0.00 -0.34 0.00 0.00 178.44 178.16 3a13 h ALA 271 N 1.17 0.59 -0.66 1.25 0.00 -0.63 -1.56 119.26 119.42 3a13 h ALA 271 Ca 0.11 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.89 3a13 h ALA 271 Cb 0.10 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 3a13 h ALA 271 CO -0.14 0.21 0.41 0.00 0.00 0.00 0.00 179.25 179.73 3a13 h ALA 272 N 1.02 0.85 -0.98 0.00 0.00 -0.66 -0.08 119.26 119.40 3a13 h ALA 272 Ca 0.15 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.09 3a13 h ALA 272 Cb 0.21 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.72 3a13 h ALA 272 CO -0.01 0.19 0.64 -0.44 0.00 0.00 0.00 179.25 179.62 3a13 h ASP 273 N 0.82 1.03 0.33 0.00 3.32 -0.91 -0.21 116.42 120.80 3a13 h ASP 273 Ca 0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.31 3a13 h ASP 273 Cb -0.00 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.33 3a13 h ASP 273 CO -0.09 0.67 0.00 -1.22 -1.72 0.00 0.00 179.24 176.88 3a13 n TYR 274 N -4.48 0.00 -1.92 4.55 4.01 -0.62 -4.91 117.16 113.80 3a13 n TYR 274 Ca 0.14 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.79 3a13 n TYR 274 Cb 0.16 -0.19 -0.01 0.00 -0.31 0.00 0.00 39.34 38.98 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 0.86 0.30 3.72 2.72 0.00 -0.09 -4.91 105.19 107.78 3a13 n GLY 275 Ca 0.15 -0.53 -0.36 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.54 4.21 0.41 0.99 1.43 -0.16 -4.89 118.68 118.14 3a13 s LEU 276 Ca 0.00 0.35 -0.23 0.00 -1.03 0.00 0.00 54.13 53.22 3a13 s LEU 276 Cb 0.00 -2.23 -0.09 0.00 0.03 0.00 0.00 46.19 43.89 3a13 s LEU 276 CO 0.00 0.12 1.02 0.00 0.23 0.00 0.00 176.35 177.72 3a13 s ALA 277 N 0.53 3.05 -0.20 4.21 0.00 0.46 -4.21 121.76 125.59 3a13 s ALA 277 Ca 0.12 0.62 -0.06 0.00 0.00 0.00 0.00 51.96 52.64 3a13 s ALA 277 Cb -0.12 -3.24 -0.03 0.00 0.00 0.00 0.00 23.12 19.73 3a13 s ALA 277 CO 0.02 -0.14 0.03 0.42 0.00 0.00 0.00 175.76 176.09 3a13 s ILE 278 N -1.79 4.30 -0.34 0.00 1.01 -1.26 -0.77 121.20 122.34 3a13 s ILE 278 Ca 0.59 -0.20 -0.13 0.00 0.00 0.00 0.00 60.65 60.92 3a13 s ILE 278 Cb -0.19 -2.95 -0.02 0.00 0.01 0.00 0.00 42.46 39.32 3a13 s ILE 278 CO 0.23 0.42 0.24 -2.28 0.00 0.00 0.00 174.94 173.56 3a13 s HIS 279 N 0.87 3.23 -0.28 3.97 2.46 0.81 -1.39 115.29 124.97 3a13 s HIS 279 Ca 0.02 -0.22 -0.16 0.00 0.47 0.00 0.00 55.06 55.18 3a13 s HIS 279 Cb -0.14 -2.48 -0.03 0.00 -0.13 0.00 0.00 32.58 29.80 3a13 s HIS 279 CO 0.02 -0.36 0.40 0.20 -2.47 0.00 0.00 174.74 172.53 3a13 s GLY 280 N 1.72 1.87 -0.12 1.59 0.00 0.23 -0.56 107.32 112.05 3a13 s GLY 280 Ca 0.06 -0.83 -0.04 0.00 0.00 0.00 0.00 44.72 43.91 3a13 s GLY 280 CO 0.10 1.04 0.03 -1.58 0.00 0.00 0.00 173.10 172.69 3a13 s HIS 281 N 2.13 3.21 -0.47 1.90 2.46 0.23 -3.09 115.29 121.65 3a13 s HIS 281 Ca 0.16 0.13 0.16 0.00 0.47 0.00 0.00 55.06 55.98 3a13 s HIS 281 Cb -0.16 -1.89 0.71 0.00 -0.13 0.00 0.00 32.58 31.11 3a13 s HIS 281 CO 0.10 0.36 1.63 2.89 -2.47 0.00 0.00 174.74 177.25 3a13 n ARG 282 N 2.63 4.08 -1.52 2.88 1.85 -1.26 -1.35 116.66 123.98 3a13 n ARG 282 Ca -0.18 -2.98 -0.55 0.00 -1.00 0.00 0.00 57.85 53.13 3a13 n ARG 282 Cb 0.53 -2.04 -0.07 0.00 -1.05 0.00 0.00 32.46 29.84 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 0.47 -2.76 0.00 2.89 0.00 -1.26 -1.05 120.51 118.80 3a13 n ALA 283 Ca 0.25 0.55 0.00 0.00 0.00 0.00 0.00 53.44 54.25 3a13 n ALA 283 Cb 1.02 -1.83 0.00 0.00 0.00 0.00 0.00 19.45 18.64 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 1.68 0.00 -0.28 0.00 0.00 -1.26 -4.08 117.12 113.18 3a13 n MET 284 Ca 0.19 0.00 0.11 0.00 -0.00 0.00 0.00 57.70 58.00 3a13 n MET 284 Cb 0.14 -0.10 0.35 0.00 0.00 0.00 0.00 33.22 33.61 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 0.88 0.00 1.12 -0.00 -1.50 -2.02 115.15 113.62 3a13 h HIS 285 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.40 3a13 h HIS 285 Cb 0.00 -0.28 0.00 0.00 -0.00 0.00 0.00 27.41 27.13 3a13 h HIS 285 CO 0.00 0.33 0.00 0.00 -0.00 0.00 0.00 177.93 178.26 3a13 n ALA 286 N -2.42 1.47 0.27 6.11 0.00 -1.26 -0.99 120.51 123.69 3a13 n ALA 286 Ca 0.18 0.11 0.13 0.00 0.00 0.00 0.00 53.44 53.86 3a13 n ALA 286 Cb 0.45 -1.35 0.75 0.00 0.00 0.00 0.00 19.45 19.29 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 2.19 1.28 0.00 0.00 0.00 -1.78 -3.28 119.26 117.68 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 0.25 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3a13 h ALA 287 CO 0.00 0.13 0.00 1.97 0.00 0.00 0.00 179.25 181.35 3a13 n PHE 288 N -3.63 0.00 0.93 0.00 1.16 -0.16 -4.80 117.46 110.96 3a13 n PHE 288 Ca -0.02 0.00 0.10 0.00 -1.87 0.00 0.00 57.45 55.66 3a13 n PHE 288 Cb 0.23 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.07 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 -0.40 0.00 0.04 1.97 -2.24 -0.25 -1.22 114.28 112.18 3a13 n THR 289 Ca 0.00 -0.22 -0.21 0.00 -2.27 0.00 0.00 64.05 61.34 3a13 n THR 289 Cb 0.02 1.19 -0.14 0.00 -2.10 0.00 0.00 70.33 69.30 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 1.80 0.30 -6.33 -0.78 2.43 -1.79 -3.42 114.38 106.58 3a13 h ARG 290 Ca 0.00 -0.52 -0.57 0.00 -0.81 0.00 0.00 59.98 58.09 3a13 h ARG 290 Cb 0.66 0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 30.36 3a13 h ARG 290 CO 0.00 1.25 1.10 1.21 -1.51 0.00 0.00 179.97 182.02 3a13 s ASN 291 N -7.08 6.38 0.00 -3.80 3.84 -1.26 -4.88 114.94 108.14 3a13 s ASN 291 Ca -0.16 1.37 0.09 0.00 0.21 0.00 0.00 52.86 54.37 3a13 s ASN 291 Cb 0.03 -2.53 0.47 0.00 -0.55 0.00 0.00 41.25 38.66 3a13 s ASN 291 CO 0.81 -1.30 1.20 -0.81 -2.79 0.00 0.00 177.10 174.21 3a13 n PRO 292 N 7.73 0.12 0.00 0.43 -0.04 -1.26 -2.43 135.00 139.55 3a13 n PRO 292 Ca 0.18 0.22 0.03 0.00 -0.04 0.00 0.00 63.50 63.89 3a13 n PRO 292 Cb 0.46 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.42 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 -1.31 0.00 -3.62 0.54 4.01 -1.26 -4.89 117.16 110.63 3a13 n TYR 293 Ca 0.04 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.74 3a13 n TYR 293 Cb 0.08 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.05 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 -1.08 -0.97 -2.31 -0.72 2.46 -1.02 -2.24 115.29 109.42 3a13 s HIS 294 Ca 0.06 1.84 0.00 0.00 0.47 0.00 0.00 55.06 57.43 3a13 s HIS 294 Cb 0.06 0.58 0.00 0.00 -0.13 0.00 0.00 32.58 33.08 3a13 s HIS 294 CO 0.17 -0.48 0.00 0.41 -2.47 0.00 0.00 174.74 172.37 3a13 n GLY 295 N 4.48 0.48 3.02 1.59 0.00 -0.07 -4.32 105.19 110.37 3a13 n GLY 295 Ca -0.17 -1.81 -0.29 0.00 0.00 0.00 0.00 46.02 43.76 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 -2.02 1.44 0.56 -0.61 1.01 -0.36 -0.60 121.20 120.62 3a13 s ILE 296 Ca 0.00 -0.58 -0.21 0.00 0.00 0.00 0.00 60.65 59.86 3a13 s ILE 296 Cb 0.00 -1.34 -0.04 0.00 0.01 0.00 0.00 42.46 41.08 3a13 s ILE 296 CO 0.00 0.43 1.28 -0.55 0.00 0.00 0.00 174.94 176.10 3a13 s SER 297 N 1.25 5.30 0.51 3.58 0.15 -0.11 -3.73 113.70 120.66 3a13 s SER 297 Ca -0.01 2.57 0.23 0.00 0.70 0.00 0.00 55.95 59.44 3a13 s SER 297 Cb -0.14 -2.62 1.35 0.00 -1.71 0.00 0.00 66.02 62.90 3a13 s SER 297 CO -0.06 -1.53 2.08 -0.03 1.20 0.00 0.00 173.24 174.90 3a13 h MET 298 N 1.28 0.00 -0.93 5.44 4.05 -1.90 -2.03 114.93 120.84 3a13 h MET 298 Ca -0.51 0.00 0.04 0.00 -0.28 0.00 0.00 59.70 58.96 3a13 h MET 298 Cb 1.30 0.00 -0.06 0.00 -0.80 0.00 0.00 31.60 32.04 3a13 h MET 298 CO 0.57 0.12 0.61 0.35 0.23 0.00 0.00 176.91 178.78 3a13 h PHE 299 N 0.00 1.11 -0.25 1.39 3.57 -1.90 0.13 116.94 121.00 3a13 h PHE 299 Ca -0.00 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.46 3a13 h PHE 299 Cb 0.26 -0.37 -0.01 0.00 2.79 0.00 0.00 35.95 38.62 3a13 h PHE 299 CO 0.00 0.63 -0.11 0.28 -2.23 0.00 0.00 178.31 176.88 3a13 h VAL 300 N 1.13 1.30 -0.28 1.41 2.07 -1.58 -2.36 116.25 117.94 3a13 h VAL 300 Ca 0.38 -1.17 0.01 0.00 0.82 0.00 0.00 66.70 66.73 3a13 h VAL 300 Cb 0.07 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 3a13 h VAL 300 CO -0.12 0.37 0.17 -0.07 0.02 0.00 0.00 177.57 177.93 3a13 h LEU 301 N 0.24 0.29 -0.33 2.57 3.38 -1.23 -0.30 115.31 119.93 3a13 h LEU 301 Ca 0.06 -0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.10 3a13 h LEU 301 Cb 0.61 -0.07 -0.08 0.00 0.09 0.00 0.00 40.66 41.21 3a13 h LEU 301 CO 0.03 0.21 -0.22 0.00 0.09 0.00 0.00 178.44 178.56 3a13 h ALA 302 N 1.11 -0.01 -0.12 1.53 0.00 -0.76 0.35 119.26 121.37 3a13 h ALA 302 Ca 0.10 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 3a13 h ALA 302 Cb -0.02 0.49 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3a13 h ALA 302 CO -0.04 -0.61 0.04 -0.22 0.00 0.00 0.00 179.25 178.42 3a13 h LYS 303 N -0.18 0.18 -0.59 0.00 3.64 -1.17 -1.32 116.57 117.13 3a13 h LYS 303 Ca 0.17 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 3a13 h LYS 303 Cb 0.44 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.20 3a13 h LYS 303 CO -0.44 0.30 0.38 -0.07 -2.27 0.00 0.00 179.45 177.35 3a13 h LEU 304 N 0.02 0.69 -0.71 5.20 3.38 -0.63 -0.93 115.31 122.33 3a13 h LEU 304 Ca 0.04 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 3a13 h LEU 304 Cb 0.19 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 3a13 h LEU 304 CO -0.00 0.52 0.02 1.88 0.09 0.00 0.00 178.44 180.95 3a13 h TYR 305 N 0.80 1.09 -0.53 1.13 0.05 -0.25 -0.34 116.97 118.91 3a13 h TYR 305 Ca 0.22 -0.17 0.00 0.00 0.05 0.00 0.00 58.73 58.83 3a13 h TYR 305 Cb -0.06 -0.29 -0.03 0.00 1.01 0.00 0.00 36.73 37.36 3a13 h TYR 305 CO -0.03 0.96 0.34 -0.09 -1.05 0.00 0.00 178.16 178.29 3a13 h ARG 306 N 0.93 0.71 -0.32 4.88 2.43 -1.00 0.51 114.38 122.52 3a13 h ARG 306 Ca 0.17 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.27 3a13 h ARG 306 Cb 0.51 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 3a13 h ARG 306 CO 0.02 0.49 0.11 -0.07 -1.51 0.00 0.00 179.97 179.02 3a13 h LEU 307 N 0.72 0.45 -1.13 3.80 3.38 -0.76 -2.26 115.31 119.51 3a13 h LEU 307 Ca 0.19 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 57.99 3a13 h LEU 307 Cb -0.05 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.53 3a13 h LEU 307 CO -0.04 0.52 0.59 0.40 0.09 0.00 0.00 178.44 180.00 3a13 h ILE 308 N 0.37 1.21 0.00 1.22 2.04 -0.89 -1.56 117.51 119.90 3a13 h ILE 308 Ca 0.11 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.56 3a13 h ILE 308 Cb 0.22 -0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.22 3a13 h ILE 308 CO -0.01 0.22 0.00 0.61 0.00 0.00 0.00 178.15 178.97 3a13 n GLY 309 N -1.40 1.78 3.66 5.37 0.00 0.05 -4.25 105.19 110.40 3a13 n GLY 309 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.78 3.73 0.24 -0.61 -1.09 -0.50 -4.07 121.20 117.11 3a13 s ILE 310 Ca 0.00 0.93 0.07 0.00 -2.23 0.00 0.00 60.65 59.42 3a13 s ILE 310 Cb 0.00 -3.60 -0.06 0.00 -1.58 0.00 0.00 42.46 37.22 3a13 s ILE 310 CO 0.00 -0.07 1.54 0.44 -1.23 0.00 0.00 174.94 175.62 3a13 h ASP 311 N 8.97 0.13 -3.72 3.58 3.32 -1.74 -3.42 116.42 123.53 3a13 h ASP 311 Ca -0.36 -0.08 -0.32 0.00 0.02 0.00 0.00 57.03 56.29 3a13 h ASP 311 Cb 1.16 -0.04 -0.30 0.00 0.22 0.00 0.00 39.33 40.37 3a13 h ASP 311 CO 0.95 0.76 -0.75 -1.10 -1.72 0.00 0.00 179.24 177.38 3a13 s GLN 312 N -3.55 0.34 -0.06 3.56 -0.21 -0.48 0.31 119.66 119.58 3a13 s GLN 312 Ca -0.02 -0.07 -0.04 0.00 0.02 0.00 0.00 55.36 55.25 3a13 s GLN 312 Cb 0.12 -0.39 0.02 0.00 1.00 0.00 0.00 33.01 33.76 3a13 s GLN 312 CO 0.79 0.00 0.14 -1.17 -2.12 0.00 0.00 175.29 172.93 3a13 s LEU 313 N 0.32 1.26 0.15 2.90 2.96 -0.11 0.74 118.68 126.90 3a13 s LEU 313 Ca -0.03 0.28 -0.30 0.00 -0.22 0.00 0.00 54.13 53.86 3a13 s LEU 313 Cb -0.06 0.44 -0.08 0.00 0.50 0.00 0.00 46.19 46.99 3a13 s LEU 313 CO -0.01 -0.08 1.24 -1.00 -1.32 0.00 0.00 176.35 175.19 3a13 s HIS 314 N 0.39 3.38 0.00 5.38 3.76 -1.18 0.80 115.29 127.82 3a13 s HIS 314 Ca -0.03 1.31 0.00 0.00 -0.15 0.00 0.00 55.06 56.19 3a13 s HIS 314 Cb -0.04 -3.49 0.00 0.00 1.11 0.00 0.00 32.58 30.16 3a13 s HIS 314 CO -0.02 -1.47 0.20 1.33 -0.85 0.00 0.00 174.74 173.93 3a13 n VAL 315 N 3.00 0.00 0.00 -0.90 0.24 -0.19 -4.80 118.33 115.67 3a13 n VAL 315 Ca 0.06 -0.37 0.00 0.00 -2.04 0.00 0.00 64.34 61.99 3a13 n VAL 315 Cb 0.44 1.13 0.00 0.00 -1.47 0.00 0.00 33.84 33.95 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 0.35 1.05 1.31 7.63 0.00 -1.25 -4.58 105.19 109.71 3a13 n GLY 316 Ca 0.00 -2.12 -0.09 0.00 0.00 0.00 0.00 46.02 43.81 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 0.33 2.42 -4.28 2.61 -2.24 -1.26 -4.35 114.28 107.51 3a13 n THR 317 Ca 0.00 -3.61 -0.36 0.00 -2.27 0.00 0.00 64.05 57.81 3a13 n THR 317 Cb 0.00 -0.66 -0.05 0.00 -2.10 0.00 0.00 70.33 67.52 3a13 n THR 317 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3a13 n ALA 318 N -0.94 -1.45 0.00 6.98 0.00 -1.26 -0.29 120.51 123.55 3a13 n ALA 318 Ca 0.32 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.61 3a13 n ALA 318 Cb 0.84 -2.60 0.00 0.00 0.00 0.00 0.00 19.45 17.70 3a13 n ALA 318 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a13 n GLY 319 N -1.55 2.69 0.20 0.00 0.00 -0.44 -4.22 105.19 101.86 3a13 n GLY 319 Ca -0.02 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.13 3a13 n GLY 319 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a13 h ALA 320 N 0.00 1.00 -4.47 4.61 0.00 -0.94 -3.48 119.26 115.98 3a13 h ALA 320 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 3a13 h ALA 320 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3a13 h ALA 320 CO 0.00 0.00 -0.05 0.41 0.00 0.00 0.00 179.25 179.61 3a13 n GLY 321 N 0.97 2.63 0.17 0.00 0.00 -1.26 -4.53 105.19 103.17 3a13 n GLY 321 Ca 0.04 -2.18 0.13 0.00 0.00 0.00 0.00 46.02 44.01 3a13 n GLY 321 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3a13 h LYS 322 N 0.00 0.00 -6.04 1.61 2.10 -1.58 -3.45 116.57 109.21 3a13 h LYS 322 Ca -0.07 0.00 -0.66 0.00 -2.00 0.00 0.00 60.65 57.92 3a13 h LYS 322 Cb 0.28 0.00 -0.12 0.00 -0.90 0.00 0.00 32.23 31.50 3a13 h LYS 322 CO 0.11 0.00 -0.60 -0.51 -2.00 0.00 0.00 179.45 176.45 3a13 s LEU 323 N -5.41 3.74 0.41 7.07 1.43 -1.26 -4.84 118.68 119.82 3a13 s LEU 323 Ca 0.08 0.10 -0.26 0.00 -1.03 0.00 0.00 54.13 53.02 3a13 s LEU 323 Cb 0.09 -2.12 -0.10 0.00 0.03 0.00 0.00 46.19 44.09 3a13 s LEU 323 CO 0.60 0.29 1.34 1.21 0.23 0.00 0.00 176.35 180.03 3a13 n GLU 324 N 1.40 2.14 0.00 1.70 0.00 -1.26 -4.85 120.64 119.76 3a13 n GLU 324 Ca -0.14 0.76 0.00 0.00 0.00 0.00 0.00 57.16 57.77 3a13 n GLU 324 Cb 0.53 -2.47 0.00 0.00 0.00 0.00 0.00 31.44 29.50 3a13 n GLU 324 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3a13 n GLY 325 N 0.70 2.17 3.96 8.31 0.00 -1.26 -4.96 105.19 114.12 3a13 n GLY 325 Ca 0.05 0.08 -0.25 0.00 0.00 0.00 0.00 46.02 45.90 3a13 n GLY 325 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3a13 s GLU 326 N -0.42 1.55 0.11 1.61 0.41 -1.26 -1.33 118.70 119.37 3a13 s GLU 326 Ca 0.00 -0.75 -0.22 0.00 -0.41 0.00 0.00 54.97 53.59 3a13 s GLU 326 Cb 0.00 -2.18 -0.09 0.00 -1.78 0.00 0.00 34.13 30.08 3a13 s GLU 326 CO 0.00 -1.62 1.72 -0.09 -0.49 0.00 0.00 175.26 174.77 3a13 h ARG 327 N -0.80 -0.04 -0.24 1.61 2.43 -1.95 -2.44 114.38 112.94 3a13 h ARG 327 Ca -0.40 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 58.66 3a13 h ARG 327 Cb 1.27 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.82 3a13 h ARG 327 CO 0.44 -0.02 -0.26 -0.44 -1.51 0.00 0.00 179.97 178.18 3a13 h ASP 328 N -0.04 0.65 -0.06 -3.80 3.32 -1.94 -2.06 116.42 112.49 3a13 h ASP 328 Ca 0.04 -0.48 0.03 0.00 0.02 0.00 0.00 57.03 56.65 3a13 h ASP 328 Cb 0.10 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.42 3a13 h ASP 328 CO -0.09 1.00 -0.19 0.40 -1.72 0.00 0.00 179.24 178.64 3a13 h ILE 329 N 0.31 0.54 -0.90 0.35 2.04 -1.94 -1.44 117.51 116.48 3a13 h ILE 329 Ca 0.04 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.95 3a13 h ILE 329 Cb 0.82 0.54 -0.06 0.00 -0.74 0.00 0.00 36.82 37.38 3a13 h ILE 329 CO 0.06 0.00 0.57 0.74 0.00 0.00 0.00 178.15 179.52 3a13 h THR 330 N -0.27 1.08 -0.71 -0.27 2.02 -1.35 -0.19 112.91 113.21 3a13 h THR 330 Ca 0.08 -0.36 -0.00 0.00 0.77 0.00 0.00 66.41 66.89 3a13 h THR 330 Cb 0.38 -0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 66.69 3a13 h THR 330 CO -0.22 0.19 0.43 0.40 0.37 0.00 0.00 175.52 176.70 3a13 h ILE 331 N 1.06 1.20 -0.46 3.11 2.04 -0.92 -0.97 117.51 122.56 3a13 h ILE 331 Ca 0.38 -0.44 -0.13 0.00 1.00 0.00 0.00 64.86 65.67 3a13 h ILE 331 Cb 0.13 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.40 3a13 h ILE 331 CO -0.16 0.21 -0.22 1.56 0.00 0.00 0.00 178.15 179.54 3a13 h GLN 332 N 0.97 0.95 -0.62 2.37 1.08 -0.47 0.13 115.11 119.52 3a13 h GLN 332 Ca 0.26 -0.42 0.11 0.00 -1.45 0.00 0.00 58.65 57.15 3a13 h GLN 332 Cb -0.04 -0.03 -0.08 0.00 -0.05 0.00 0.00 27.48 27.28 3a13 h GLN 332 CO -0.05 1.08 0.20 -0.91 -0.95 0.00 0.00 178.83 178.21 3a13 h ASN 333 N 0.80 0.16 -0.31 1.46 2.35 -0.68 -1.27 115.58 118.08 3a13 h ASN 333 Ca 0.10 0.09 -0.14 0.00 -0.55 0.00 0.00 56.30 55.80 3a13 h ASN 333 Cb 0.79 0.09 -0.00 0.00 0.05 0.00 0.00 38.32 39.25 3a13 h ASN 333 CO 0.07 0.09 -0.37 0.00 -1.65 0.00 0.00 177.43 175.57 3a13 h ALA 334 N 1.45 0.47 -0.12 -0.83 0.00 -0.72 -2.84 119.26 116.67 3a13 h ALA 334 Ca 0.32 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3a13 h ALA 334 Cb 0.44 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3a13 h ALA 334 CO -0.35 0.55 0.08 0.00 0.00 0.00 0.00 179.25 179.53 3a13 h ARG 335 N 0.57 0.16 0.00 0.00 3.08 -0.60 -2.61 114.38 114.98 3a13 h ARG 335 Ca 0.04 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.05 3a13 h ARG 335 Cb 0.96 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.97 3a13 h ARG 335 CO 0.09 0.11 -0.15 0.97 -1.07 0.00 0.00 179.97 179.92 3a13 h ILE 336 N 0.16 0.91 0.00 2.04 6.09 -1.23 -1.48 117.51 124.00 3a13 h ILE 336 Ca 0.04 -0.54 -0.10 0.00 -1.37 0.00 0.00 64.86 62.89 3a13 h ILE 336 Cb -0.01 1.31 -0.01 0.00 0.47 0.00 0.00 36.82 38.57 3a13 h ILE 336 CO -0.01 0.14 -0.45 -0.07 -3.07 0.00 0.00 178.15 174.69 3a13 h LEU 337 N 0.00 0.00 0.00 2.19 3.38 -1.22 -3.40 115.31 116.26 3a13 h LEU 337 Ca -0.00 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.81 3a13 h LEU 337 Cb 0.30 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 3a13 h LEU 337 CO 0.02 0.45 -1.58 0.54 0.09 0.00 0.00 178.44 177.96 3a13 n ARG 338 N -3.61 1.73 -2.80 1.13 1.74 -0.63 -0.41 116.66 113.80 3a13 n ARG 338 Ca -0.00 0.02 -0.33 0.00 -0.77 0.00 0.00 57.85 56.77 3a13 n ARG 338 Cb 0.55 -1.21 -0.07 0.00 -1.02 0.00 0.00 32.46 30.71 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 -2.20 4.19 0.06 5.56 2.02 -0.74 -4.50 118.70 123.08 3a13 s GLU 339 Ca -0.08 1.08 -0.01 0.00 0.02 0.00 0.00 54.97 55.98 3a13 s GLU 339 Cb 0.03 -2.19 -0.26 0.00 0.10 0.00 0.00 34.13 31.80 3a13 s GLU 339 CO 0.30 -0.04 1.08 0.77 0.02 0.00 0.00 175.26 177.39 3a13 h SER 340 N 1.85 0.31 -3.06 -0.19 0.02 -1.91 -3.42 113.55 107.15 3a13 h SER 340 Ca -0.49 -0.36 -0.60 0.00 -0.84 0.00 0.00 61.79 59.50 3a13 h SER 340 Cb 1.18 -0.10 -0.40 0.00 0.14 0.00 0.00 62.40 63.22 3a13 h SER 340 CO 0.61 1.29 -0.79 -2.28 -1.14 0.00 0.00 176.83 174.52 3a13 s HIS 341 N -2.65 1.44 0.10 3.45 5.65 -1.26 -0.56 115.29 121.46 3a13 s HIS 341 Ca -0.04 -2.10 -0.30 0.00 0.25 0.00 0.00 55.06 52.86 3a13 s HIS 341 Cb 0.08 -1.45 -0.06 0.00 -1.18 0.00 0.00 32.58 29.96 3a13 s HIS 341 CO 0.86 -0.80 1.19 -0.47 -0.65 0.00 0.00 174.74 174.87 3a13 s TYR 342 N 0.61 3.45 -0.11 3.88 5.04 0.63 -4.91 117.35 125.93 3a13 s TYR 342 Ca 0.19 1.35 -0.01 0.00 -2.44 0.00 0.00 57.07 56.16 3a13 s TYR 342 Cb -0.22 -3.41 0.03 0.00 0.35 0.00 0.00 41.96 38.71 3a13 s TYR 342 CO -0.01 -1.22 -0.03 0.15 -1.34 0.00 0.00 175.55 173.10 3a13 s LYS 343 N 0.62 1.06 0.52 4.97 1.02 -1.26 -0.74 119.74 125.93 3a13 s LYS 343 Ca 0.57 -0.17 -0.20 0.00 0.02 0.00 0.00 55.97 56.18 3a13 s LYS 343 Cb -0.30 -1.47 -0.07 0.00 -0.52 0.00 0.00 37.83 35.47 3a13 s LYS 343 CO 0.31 -0.35 1.10 -1.25 -0.92 0.00 0.00 175.35 174.25 3a13 s PRO 344 N 1.82 3.52 0.70 -1.68 0.04 -1.26 -4.98 135.00 133.16 3a13 s PRO 344 Ca 0.04 1.55 -0.16 0.00 0.04 0.00 0.00 61.00 62.46 3a13 s PRO 344 Cb -0.13 -2.06 -0.02 0.00 0.04 0.00 0.00 34.50 32.32 3a13 s PRO 344 CO -0.07 -0.70 0.79 -0.25 0.04 0.00 0.00 177.00 176.81 3a13 n ASP 345 N -1.13 -0.17 -0.22 6.66 8.00 -1.26 -4.86 116.55 123.56 3a13 n ASP 345 Ca 0.11 0.66 0.12 0.00 0.71 0.00 0.00 54.79 56.38 3a13 n ASP 345 Cb 0.51 -1.32 0.42 0.00 -0.02 0.00 0.00 41.12 40.70 3a13 n ASP 345 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 3a13 h GLU 346 N -0.21 0.59 -0.31 -1.24 9.09 -2.02 -1.35 114.58 119.14 3a13 h GLU 346 Ca -0.47 -0.04 0.00 0.00 0.05 0.00 0.00 59.36 58.91 3a13 h GLU 346 Cb 1.35 -0.13 0.00 0.00 -1.65 0.00 0.00 28.75 28.31 3a13 h GLU 346 CO 0.46 0.39 0.00 0.09 0.05 0.00 0.00 179.01 180.00 3a13 n ASN 347 N -4.52 1.78 -4.53 3.06 3.02 -1.26 -4.83 115.26 107.98 3a13 n ASN 347 Ca 0.15 -1.96 -0.43 0.00 -0.03 0.00 0.00 54.58 52.32 3a13 n ASN 347 Cb 0.45 -0.21 -0.05 0.00 -0.61 0.00 0.00 39.78 39.37 3a13 n ASN 347 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3a13 s ASP 348 N -1.08 6.38 0.00 6.41 -1.08 -0.51 -4.91 116.67 121.88 3a13 s ASP 348 Ca 0.24 -0.23 0.28 0.00 -0.52 0.00 0.00 52.55 52.31 3a13 s ASP 348 Cb 0.13 -2.40 0.96 0.00 -1.46 0.00 0.00 42.92 40.14 3a13 s ASP 348 CO 0.17 -1.03 1.69 1.33 0.52 0.00 0.00 175.17 177.85 3a13 n VAL 349 N 6.15 0.00 -0.10 1.11 0.24 -1.26 -4.28 118.33 120.19 3a13 n VAL 349 Ca 0.02 -0.22 -0.10 0.00 -2.04 0.00 0.00 64.34 62.00 3a13 n VAL 349 Cb 0.48 0.48 -0.16 0.00 -1.47 0.00 0.00 33.84 33.17 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 -0.04 0.00 -4.42 6.34 3.72 -1.26 -4.97 117.46 116.84 3a13 n PHE 350 Ca 0.17 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.30 3a13 n PHE 350 Cb 0.36 -0.99 -0.13 0.00 -0.94 0.00 0.00 39.48 37.78 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 -2.49 2.06 0.17 1.38 3.76 -1.26 -4.21 115.29 114.69 3a13 s HIS 351 Ca -0.10 -0.40 0.07 0.00 -0.15 0.00 0.00 55.06 54.49 3a13 s HIS 351 Cb 0.06 -1.14 -0.04 0.00 1.11 0.00 0.00 32.58 32.57 3a13 s HIS 351 CO 0.82 0.24 -0.03 -0.51 -0.85 0.00 0.00 174.74 174.42 3a13 s LEU 352 N -1.85 3.24 0.34 0.89 1.02 -1.26 -4.73 118.68 116.33 3a13 s LEU 352 Ca 0.10 -0.42 -0.29 0.00 0.02 0.00 0.00 54.13 53.54 3a13 s LEU 352 Cb -0.10 -1.91 -0.12 0.00 0.02 0.00 0.00 46.19 44.09 3a13 s LEU 352 CO 0.05 0.10 1.48 1.21 0.02 0.00 0.00 176.35 179.20 3a13 n GLU 353 N -0.01 2.53 -3.63 1.70 2.13 -1.26 -4.68 120.64 117.41 3a13 n GLU 353 Ca -0.10 0.89 -0.12 0.00 0.66 0.00 0.00 57.16 58.49 3a13 n GLU 353 Cb 0.55 -2.61 -0.12 0.00 0.27 0.00 0.00 31.44 29.53 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 -1.46 0.20 0.09 5.31 2.00 0.08 -4.96 119.66 120.92 3a13 s GLN 354 Ca 0.58 0.77 -0.16 0.00 -2.00 0.00 0.00 55.36 54.55 3a13 s GLN 354 Cb -0.51 -0.04 -0.07 0.00 0.80 0.00 0.00 33.01 33.19 3a13 s GLN 354 CO 0.58 -0.32 0.52 0.15 -0.50 0.00 0.00 175.29 175.72 3a13 s LYS 355 N 2.47 4.03 0.00 1.67 1.02 -1.26 -0.27 119.74 127.40 3a13 s LYS 355 Ca 0.02 0.54 0.12 0.00 0.02 0.00 0.00 55.97 56.66 3a13 s LYS 355 Cb -0.12 -3.10 -0.09 0.00 -0.52 0.00 0.00 37.83 33.99 3a13 s LYS 355 CO -0.10 0.58 0.56 1.19 -0.92 0.00 0.00 175.35 176.66 3a13 n PHE 356 N 1.34 0.00 0.00 3.18 3.72 0.28 -4.93 117.46 121.05 3a13 n PHE 356 Ca -0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 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 -0.97 0.00 0.38 1.38 4.01 -1.26 -1.37 117.16 119.33 3a13 n TYR 357 Ca 0.03 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.89 3a13 n TYR 357 Cb 0.20 0.00 0.21 0.00 -0.31 0.00 0.00 39.34 39.45 3a13 n TYR 357 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 3a13 h SER 358 N 0.00 0.00 -1.56 7.72 0.02 -1.96 -3.46 113.55 114.31 3a13 h SER 358 Ca 0.00 -0.03 -0.66 0.00 -0.84 0.00 0.00 61.79 60.25 3a13 h SER 358 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 3a13 h SER 358 CO 0.00 0.02 1.20 -0.38 -1.14 0.00 0.00 176.83 176.53 3a13 n ILE 359 N -2.64 0.36 -1.08 3.27 2.08 -0.47 -4.93 119.36 115.95 3a13 n ILE 359 Ca 0.04 -0.17 -0.31 0.00 0.56 0.00 0.00 62.75 62.86 3a13 n ILE 359 Cb 0.49 -1.69 0.12 0.00 -0.75 0.00 0.00 39.64 37.81 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 4.94 1.79 0.25 0.38 1.02 -1.26 -4.94 119.74 121.92 3a13 s LYS 360 Ca 1.01 1.38 -0.30 0.00 0.02 0.00 0.00 55.97 58.08 3a13 s LYS 360 Cb -0.82 -1.83 -0.09 0.00 -0.52 0.00 0.00 37.83 34.57 3a13 s LYS 360 CO 0.53 -2.03 1.19 0.00 -0.92 0.00 0.00 175.35 174.13 3a13 s ALA 361 N -2.70 3.45 0.20 5.17 0.00 -1.26 -4.50 121.76 122.11 3a13 s ALA 361 Ca 0.65 1.01 -0.01 0.00 0.00 0.00 0.00 51.96 53.61 3a13 s ALA 361 Cb -0.20 -3.40 -0.04 0.00 0.00 0.00 0.00 23.12 19.47 3a13 s ALA 361 CO 0.55 -0.36 0.38 0.00 0.00 0.00 0.00 175.76 176.33 3a13 s ALA 362 N -0.66 3.84 -0.48 0.00 0.00 0.45 -1.30 121.76 123.61 3a13 s ALA 362 Ca 0.49 -0.83 -0.27 0.00 0.00 0.00 0.00 51.96 51.35 3a13 s ALA 362 Cb -0.34 -1.99 0.03 0.00 0.00 0.00 0.00 23.12 20.82 3a13 s ALA 362 CO 0.42 0.45 1.06 -0.06 0.00 0.00 0.00 175.76 177.62 3a13 s PHE 363 N -1.85 2.84 0.31 0.00 0.08 0.15 -4.36 117.98 115.16 3a13 s PHE 363 Ca 0.38 0.55 -0.29 0.00 0.12 0.00 0.00 56.93 57.70 3a13 s PHE 363 Cb -0.11 -4.26 -0.10 0.00 -0.57 0.00 0.00 43.02 37.98 3a13 s PHE 363 CO 0.29 -1.23 1.37 -2.14 -0.10 0.00 0.00 175.22 173.42 3a13 s PRO 364 N 4.20 4.29 -0.20 0.24 0.02 -1.26 -0.93 135.00 141.36 3a13 s PRO 364 Ca 0.43 2.30 0.01 0.00 0.02 0.00 0.00 61.00 63.75 3a13 s PRO 364 Cb -0.08 -3.07 0.02 0.00 0.02 0.00 0.00 34.50 31.39 3a13 s PRO 364 CO 0.29 -0.31 -0.16 0.99 -0.33 0.00 0.00 177.00 177.48 3a13 s THR 365 N -0.79 2.26 -0.22 0.99 2.01 0.24 -0.54 115.64 119.58 3a13 s THR 365 Ca 0.53 -1.01 -0.11 0.00 0.31 0.00 0.00 61.69 61.41 3a13 s THR 365 Cb -0.41 -2.03 -0.05 0.00 0.01 0.00 0.00 72.50 70.02 3a13 s THR 365 CO 0.52 0.42 0.17 -0.44 -0.69 0.00 0.00 174.62 174.59 3a13 s SER 366 N 1.28 6.17 0.02 3.53 0.01 -0.29 -1.02 113.70 123.40 3a13 s SER 366 Ca 0.03 0.18 -0.24 0.00 1.31 0.00 0.00 55.95 57.22 3a13 s SER 366 Cb -0.14 -2.11 0.05 0.00 0.21 0.00 0.00 66.02 64.03 3a13 s SER 366 CO -0.10 0.09 0.55 -0.55 0.41 0.00 0.00 173.24 173.63 3a13 s SER 367 N 0.85 -0.48 0.00 2.44 0.15 -1.26 -1.71 113.70 113.70 3a13 s SER 367 Ca 0.09 0.31 0.00 0.00 0.70 0.00 0.00 55.95 57.04 3a13 s SER 367 Cb -0.13 0.49 0.00 0.00 -1.71 0.00 0.00 66.02 64.67 3a13 s SER 367 CO 0.03 -0.67 0.00 0.61 1.20 0.00 0.00 173.24 174.41 3a13 n GLY 368 N 0.60 2.58 3.68 9.45 0.00 -1.26 -4.54 105.19 115.70 3a13 n GLY 368 Ca -0.19 -0.64 -0.28 0.00 0.00 0.00 0.00 46.02 44.91 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 -0.47 3.91 -0.02 0.00 -1.26 -2.50 105.19 104.85 3a13 n GLY 369 Ca 0.00 0.10 -0.27 0.00 0.00 0.00 0.00 46.02 45.85 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 -6.73 3.86 0.31 0.99 1.43 -1.26 -4.52 118.68 112.76 3a13 s LEU 370 Ca 0.53 0.76 -0.18 0.00 -1.03 0.00 0.00 54.13 54.20 3a13 s LEU 370 Cb -0.28 -3.65 0.03 0.00 0.03 0.00 0.00 46.19 42.32 3a13 s LEU 370 CO 0.65 -0.39 0.71 -1.38 0.23 0.00 0.00 176.35 176.17 3a13 s HIS 371 N -2.42 -0.02 0.63 0.29 -3.43 -1.26 -3.52 115.29 105.56 3a13 s HIS 371 Ca 0.45 -0.49 0.35 0.00 -0.80 0.00 0.00 55.06 54.57 3a13 s HIS 371 Cb -0.10 0.68 1.93 0.00 -1.43 0.00 0.00 32.58 33.66 3a13 s HIS 371 CO 0.37 -1.31 2.17 -1.35 -2.00 0.00 0.00 174.74 172.62 3a13 h PRO 372 N 2.03 0.00 0.00 -0.38 0.11 -1.94 -1.41 132.00 130.41 3a13 h PRO 372 Ca -0.24 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.82 3a13 h PRO 372 Cb 1.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 3a13 h PRO 372 CO 0.29 0.00 -0.27 0.78 -0.21 0.00 0.00 178.00 178.60 3a13 h GLY 373 N 0.00 0.00 -0.68 -0.55 0.00 -1.94 -3.37 103.07 96.54 3a13 h GLY 373 Ca 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 3a13 h GLY 373 CO -0.00 0.00 -0.30 1.16 0.00 0.00 0.00 176.54 177.40 3a13 n ASN 374 N -3.21 1.37 -0.07 0.19 6.94 -0.54 -4.45 115.26 115.49 3a13 n ASN 374 Ca 0.02 -2.71 0.11 0.00 -0.02 0.00 0.00 54.58 51.98 3a13 n ASN 374 Cb 0.59 -0.35 0.11 0.00 -2.36 0.00 0.00 39.78 37.78 3a13 n ASN 374 CO 0.00 0.00 0.00 2.30 -1.03 0.00 0.00 177.26 178.53 3a13 n ILE 375 N -0.76 0.00 0.23 1.53 -5.35 -1.17 -4.40 119.36 109.43 3a13 n ILE 375 Ca 0.10 -0.04 -0.16 0.00 -0.27 0.00 0.00 62.75 62.38 3a13 n ILE 375 Cb 0.70 0.61 -0.08 0.00 -1.74 0.00 0.00 39.64 39.14 3a13 n ILE 375 CO 0.00 0.00 0.00 -0.61 -1.76 0.00 0.00 176.55 174.18 3a13 h GLN 376 N 0.34 -0.77 -0.35 6.28 5.75 -1.84 -2.31 115.11 122.20 3a13 h GLN 376 Ca 0.00 0.05 0.04 0.00 -0.15 0.00 0.00 58.65 58.60 3a13 h GLN 376 Cb 0.52 0.18 -0.02 0.00 1.07 0.00 0.00 27.48 29.23 3a13 h GLN 376 CO 0.00 -0.51 0.24 -1.00 -2.65 0.00 0.00 178.83 174.90 3a13 h PRO 377 N -0.80 0.29 -0.24 -2.39 0.13 -1.95 -1.68 132.00 125.35 3a13 h PRO 377 Ca -0.03 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 65.06 3a13 h PRO 377 Cb 0.72 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 31.78 3a13 h PRO 377 CO -0.08 0.19 0.06 0.28 -0.23 0.00 0.00 178.00 178.22 3a13 h VAL 378 N 0.30 1.21 0.00 1.56 2.07 -1.69 -1.02 116.25 118.68 3a13 h VAL 378 Ca 0.15 -0.69 -0.14 0.00 0.82 0.00 0.00 66.70 66.85 3a13 h VAL 378 Cb 0.22 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 3a13 h VAL 378 CO -0.03 0.22 -0.65 0.40 0.02 0.00 0.00 177.57 177.53 3a13 h ILE 379 N 0.22 1.39 -0.01 4.57 2.04 -1.11 0.27 117.51 124.88 3a13 h ILE 379 Ca 0.08 -2.29 -0.00 0.00 1.00 0.00 0.00 64.86 63.65 3a13 h ILE 379 Cb 0.28 2.26 -0.00 0.00 -0.74 0.00 0.00 36.82 38.62 3a13 h ILE 379 CO 0.00 0.64 0.01 -0.33 0.00 0.00 0.00 178.15 178.46 3a13 h GLU 380 N 0.00 0.02 -0.07 2.37 4.39 -1.14 0.98 114.58 121.13 3a13 h GLU 380 Ca -0.01 -0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 3a13 h GLU 380 Cb 1.21 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.85 3a13 h GLU 380 CO 0.08 0.15 -0.04 0.00 -1.16 0.00 0.00 179.01 178.05 3a13 h ALA 381 N 0.87 0.11 0.00 3.43 0.00 -1.09 -3.36 119.26 119.21 3a13 h ALA 381 Ca 0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 3a13 h ALA 381 Cb 0.14 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3a13 h ALA 381 CO -0.00 -0.13 -1.52 1.28 0.00 0.00 0.00 179.25 178.88 3a13 n LEU 382 N -4.76 0.44 0.00 0.00 4.32 0.07 -4.95 117.00 112.13 3a13 n LEU 382 Ca -0.07 0.17 0.00 0.00 -0.02 0.00 0.00 56.01 56.09 3a13 n LEU 382 Cb 0.26 -0.01 0.00 0.00 -1.62 0.00 0.00 43.42 42.05 3a13 n LEU 382 CO 0.36 -0.07 0.00 0.61 -1.22 0.00 0.00 177.39 177.07 3a13 n GLY 383 N 1.24 -1.85 0.09 -0.72 0.00 0.34 -4.63 105.19 99.66 3a13 n GLY 383 Ca -0.03 -1.73 0.11 0.00 0.00 0.00 0.00 46.02 44.37 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 0.49 -1.97 2.61 -2.24 -1.26 -4.49 114.28 107.42 3a13 n THR 384 Ca 0.00 -0.51 -0.41 0.00 -2.27 0.00 0.00 64.05 60.86 3a13 n THR 384 Cb 0.00 -0.24 -0.00 0.00 -2.10 0.00 0.00 70.33 67.98 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 -2.54 6.25 -4.18 3.42 8.00 -1.26 -3.03 116.55 123.21 3a13 n ASP 385 Ca -0.00 -2.98 -0.11 0.00 0.71 0.00 0.00 54.79 52.40 3a13 n ASP 385 Cb 0.54 -1.49 -0.10 0.00 -0.02 0.00 0.00 41.12 40.05 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 0.76 0.40 -0.18 0.53 -4.36 -1.26 -4.36 121.20 112.73 3a13 s ILE 386 Ca 0.50 -1.93 -0.07 0.00 -0.26 0.00 0.00 60.65 58.89 3a13 s ILE 386 Cb 0.14 -1.98 -0.04 0.00 1.25 0.00 0.00 42.46 41.83 3a13 s ILE 386 CO -0.05 -0.57 0.05 -0.69 0.24 0.00 0.00 174.94 173.92 3a13 s VAL 387 N -3.83 4.66 -0.14 8.37 1.01 0.30 -2.31 120.40 128.45 3a13 s VAL 387 Ca 0.21 -0.08 -0.08 0.00 0.00 0.00 0.00 61.98 62.03 3a13 s VAL 387 Cb 0.07 -3.10 -0.04 0.00 0.00 0.00 0.00 36.38 33.31 3a13 s VAL 387 CO 0.01 0.46 0.13 -0.76 0.00 0.00 0.00 175.10 174.93 3a13 s LEU 388 N 0.43 4.29 -0.10 3.92 1.43 0.71 -1.13 118.68 128.23 3a13 s LEU 388 Ca 0.02 0.38 0.04 0.00 -1.03 0.00 0.00 54.13 53.54 3a13 s LEU 388 Cb -0.13 -2.06 -0.00 0.00 0.03 0.00 0.00 46.19 44.03 3a13 s LEU 388 CO 0.01 0.34 -0.23 -1.58 0.23 0.00 0.00 176.35 175.12 3a13 s GLN 389 N -0.62 3.04 -0.32 1.70 -0.44 -0.69 -1.57 119.66 120.76 3a13 s GLN 389 Ca 0.13 -0.86 -0.02 0.00 -2.50 0.00 0.00 55.36 52.11 3a13 s GLN 389 Cb -0.12 -2.33 0.11 0.00 -1.64 0.00 0.00 33.01 29.04 3a13 s GLN 389 CO 0.02 0.21 0.15 -0.51 0.50 0.00 0.00 175.29 175.66 3a13 s LEU 390 N 0.29 1.16 0.00 3.68 1.02 -0.63 -4.36 118.68 119.84 3a13 s LEU 390 Ca -0.16 -1.66 0.00 0.00 0.02 0.00 0.00 54.13 52.33 3a13 s LEU 390 Cb -0.17 -0.52 0.00 0.00 0.02 0.00 0.00 46.19 45.52 3a13 s LEU 390 CO 0.08 -0.39 0.00 0.61 0.02 0.00 0.00 176.35 176.67 3a13 n GLY 391 N 4.78 1.63 0.13 -3.19 0.00 -1.26 -3.26 105.19 104.02 3a13 n GLY 391 Ca -0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 3a13 n GLY 391 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a13 n GLY 392 N 4.71 -0.48 0.00 -0.02 0.00 -1.26 0.50 105.19 108.64 3a13 n GLY 392 Ca 0.00 0.36 0.07 0.00 0.00 0.00 0.00 46.02 46.46 3a13 n GLY 392 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a13 n GLY 393 N -1.18 -0.47 0.82 -0.02 0.00 -1.23 0.46 105.19 103.57 3a13 n GLY 393 Ca 0.10 -0.09 -0.06 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.00 0.55 0.37 2.61 -1.04 1.89 -4.39 114.28 113.26 3a13 n THR 394 Ca 0.11 0.01 0.14 0.00 -2.04 0.00 0.00 64.05 62.27 3a13 n THR 394 Cb 0.05 -1.62 0.54 0.00 -1.82 0.00 0.00 70.33 67.48 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 -0.22 0.00 -1.18 -4.42 4.07 -0.98 -3.03 115.31 109.55 3a13 h LEU 395 Ca -0.12 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.84 3a13 h LEU 395 Cb 0.93 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.67 3a13 h LEU 395 CO -0.07 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 177.90 3a13 n GLY 396 N 0.09 0.25 3.68 0.83 0.00 0.17 -4.52 105.19 105.70 3a13 n GLY 396 Ca 0.02 -0.49 -0.40 0.00 0.00 0.00 0.00 46.02 45.15 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 0.42 1.85 -0.02 1.61 -0.00 -1.14 -4.91 115.22 113.03 3a13 n HIS 397 Ca 0.18 0.49 -0.10 0.00 -0.00 0.00 0.00 57.72 58.29 3a13 n HIS 397 Cb 0.40 -2.32 -0.04 0.00 -0.00 0.00 0.00 29.99 28.02 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 1.71 0.14 -0.94 1.57 0.13 -1.93 -2.30 132.00 130.38 3a13 h PRO 398 Ca -0.48 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 64.62 3a13 h PRO 398 Cb 1.31 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 3a13 h PRO 398 CO 0.58 0.09 0.02 -0.25 -0.23 0.00 0.00 178.00 178.22 3a13 n ASP 399 N -5.03 2.08 0.00 1.44 8.00 -1.26 -4.99 116.55 116.79 3a13 n ASP 399 Ca -0.04 -2.18 0.00 0.00 0.71 0.00 0.00 54.79 53.28 3a13 n ASP 399 Cb 0.05 -0.54 0.00 0.00 -0.02 0.00 0.00 41.12 40.61 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 0.13 -1.24 0.41 0.44 0.00 -0.86 -4.19 105.19 99.88 3a13 n GLY 400 Ca 0.06 -1.60 -0.13 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 -0.50 -0.83 1.61 0.11 -1.79 -1.58 132.00 129.01 3a13 h PRO 401 Ca 0.00 0.03 0.19 0.00 0.11 0.00 0.00 66.00 66.34 3a13 h PRO 401 Cb 0.00 0.11 -0.12 0.00 0.11 0.00 0.00 31.00 31.11 3a13 h PRO 401 CO 0.00 -0.34 0.30 0.00 -0.21 0.00 0.00 178.00 177.76 3a13 h ALA 402 N 0.02 1.22 -0.34 -0.75 0.00 -1.86 0.32 119.26 117.87 3a13 h ALA 402 Ca 0.06 0.16 -0.09 0.00 0.00 0.00 0.00 54.91 55.04 3a13 h ALA 402 Cb 0.64 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 3a13 h ALA 402 CO -0.39 -0.32 -0.18 0.00 0.00 0.00 0.00 179.25 178.36 3a13 h ALA 403 N 1.66 1.06 -0.46 0.00 0.00 -1.54 -2.83 119.26 117.16 3a13 h ALA 403 Ca 0.49 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 3a13 h ALA 403 Cb 0.89 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 3a13 h ALA 403 CO -0.51 0.57 0.15 0.78 0.00 0.00 0.00 179.25 180.24 3a13 h GLY 404 N 0.98 0.76 0.74 0.00 0.00 0.51 0.11 103.07 106.17 3a13 h GLY 404 Ca 0.09 -0.44 0.03 0.00 0.00 0.00 0.00 47.33 47.00 3a13 h GLY 404 CO 0.04 0.42 0.01 0.00 0.00 0.00 0.00 176.54 177.01 3a13 h ALA 405 N 1.00 0.17 -0.81 3.60 0.00 -1.08 0.13 119.26 122.27 3a13 h ALA 405 Ca 0.15 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.13 3a13 h ALA 405 Cb 0.25 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 3a13 h ALA 405 CO -0.01 -0.43 0.52 0.00 0.00 0.00 0.00 179.25 179.34 3a13 h ARG 406 N 0.07 1.01 -0.38 0.00 3.08 -1.30 -0.41 114.38 116.46 3a13 h ARG 406 Ca 0.08 -0.06 0.06 0.00 0.07 0.00 0.00 59.98 60.14 3a13 h ARG 406 Cb 0.10 -0.23 -0.05 0.00 0.08 0.00 0.00 29.97 29.87 3a13 h ARG 406 CO -0.14 0.67 0.05 0.00 -1.07 0.00 0.00 179.97 179.48 3a13 h ALA 407 N 1.32 0.39 -0.00 0.04 0.00 0.12 0.15 119.26 121.28 3a13 h ALA 407 Ca 0.31 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.31 3a13 h ALA 407 Cb -0.04 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3a13 h ALA 407 CO -0.10 -0.35 0.00 0.28 0.00 0.00 0.00 179.25 179.09 3a13 h VAL 408 N 0.17 1.13 -0.49 0.00 2.07 -0.01 0.33 116.25 119.45 3a13 h VAL 408 Ca 0.18 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.33 3a13 h VAL 408 Cb 0.23 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 3a13 h VAL 408 CO -0.26 0.10 0.32 0.03 0.02 0.00 0.00 177.57 177.78 3a13 h ARG 409 N -0.15 0.65 0.31 1.57 2.47 -0.87 0.21 114.38 118.58 3a13 h ARG 409 Ca 0.00 -0.04 -0.02 0.00 -1.26 0.00 0.00 59.98 58.66 3a13 h ARG 409 Cb 0.16 -0.15 0.00 0.00 -1.65 0.00 0.00 29.97 28.34 3a13 h ARG 409 CO -0.00 0.44 -0.15 1.96 0.56 0.00 0.00 179.97 182.78 3a13 h GLN 410 N 0.67 -0.41 -0.96 0.04 4.20 -0.17 0.59 115.11 119.08 3a13 h GLN 410 Ca 0.18 0.03 0.30 0.00 0.06 0.00 0.00 58.65 59.22 3a13 h GLN 410 Cb -0.07 0.09 -0.16 0.00 0.30 0.00 0.00 27.48 27.65 3a13 h GLN 410 CO -0.04 -0.27 0.36 0.00 -0.67 0.00 0.00 178.83 178.21 3a13 h ALA 411 N -1.79 1.63 -0.52 3.87 0.00 0.06 1.47 119.26 123.98 3a13 h ALA 411 Ca -0.04 0.24 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 3a13 h ALA 411 Cb 0.32 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 3a13 h ALA 411 CO 0.07 -0.60 0.20 0.82 0.00 0.00 0.00 179.25 179.73 3a13 h ILE 412 N 0.18 1.22 -0.43 0.00 2.04 -0.52 -0.53 117.51 119.47 3a13 h ILE 412 Ca 0.67 -0.70 0.05 0.00 1.00 0.00 0.00 64.86 65.88 3a13 h ILE 412 Cb 1.51 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 38.25 3a13 h ILE 412 CO -0.70 0.26 0.17 0.44 0.00 0.00 0.00 178.15 178.32 3a13 h ASP 413 N 0.71 0.21 0.46 1.72 3.32 0.42 0.17 116.42 123.43 3a13 h ASP 413 Ca 0.17 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.25 3a13 h ASP 413 Cb 0.22 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 3a13 h ASP 413 CO -0.01 0.16 -0.45 0.00 -1.72 0.00 0.00 179.24 177.21 3a13 h ALA 414 N 1.26 -1.01 -0.99 3.45 0.00 -0.24 -0.83 119.26 120.90 3a13 h ALA 414 Ca 0.19 -0.17 0.13 0.00 0.00 0.00 0.00 54.91 55.06 3a13 h ALA 414 Cb 0.16 0.64 -0.08 0.00 0.00 0.00 0.00 17.79 18.51 3a13 h ALA 414 CO -0.18 -1.10 0.63 0.82 0.00 0.00 0.00 179.25 179.41 3a13 h ILE 415 N -0.92 0.90 -0.40 0.00 2.04 -0.81 0.13 117.51 118.46 3a13 h ILE 415 Ca -0.05 -0.33 -0.07 0.00 1.00 0.00 0.00 64.86 65.42 3a13 h ILE 415 Cb 0.81 -0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 3a13 h ILE 415 CO -0.06 0.17 -0.03 -0.03 0.00 0.00 0.00 178.15 178.21 3a13 h MET 416 N 0.96 0.65 0.00 2.37 4.05 -0.34 -3.19 114.93 119.42 3a13 h MET 416 Ca 0.50 -0.17 0.00 0.00 -0.28 0.00 0.00 59.70 59.75 3a13 h MET 416 Cb 0.53 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 31.25 3a13 h MET 416 CO -0.26 0.69 -0.80 1.96 0.23 0.00 0.00 176.91 178.73 3a13 h GLN 417 N 0.61 0.00 0.00 0.39 4.20 0.63 -3.48 115.11 117.46 3a13 h GLN 417 Ca 0.12 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.83 3a13 h GLN 417 Cb 0.43 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.21 3a13 h GLN 417 CO 0.02 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.59 3a13 n GLY 418 N 1.27 0.97 3.19 3.46 0.00 0.07 -5.07 105.19 109.09 3a13 n GLY 418 Ca 0.02 -0.42 -0.36 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.00 3.24 0.30 -0.61 1.01 -0.97 -5.04 121.20 117.13 3a13 s ILE 419 Ca 0.00 -1.39 -0.25 0.00 0.00 0.00 0.00 60.65 59.00 3a13 s ILE 419 Cb 0.00 -2.90 -0.16 0.00 0.01 0.00 0.00 42.46 39.41 3a13 s ILE 419 CO 0.00 -0.20 0.41 -2.65 0.00 0.00 0.00 174.94 172.50 3a13 n PRO 420 N 4.67 0.14 0.08 2.79 -0.02 -1.26 -4.40 135.00 137.00 3a13 n PRO 420 Ca -0.12 0.05 0.09 0.00 -2.02 0.00 0.00 63.50 61.50 3a13 n PRO 420 Cb 0.43 -1.10 0.55 0.00 -0.02 0.00 0.00 33.50 33.36 3a13 n PRO 420 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3a13 h LEU 421 N 0.81 0.23 -0.54 2.45 4.07 -1.95 -0.75 115.31 119.64 3a13 h LEU 421 Ca -0.33 -0.00 -0.07 0.00 0.08 0.00 0.00 57.88 57.56 3a13 h LEU 421 Cb 1.43 -0.05 -0.02 0.00 1.08 0.00 0.00 40.66 43.10 3a13 h LEU 421 CO 0.53 0.15 0.05 0.44 -1.08 0.00 0.00 178.44 178.54 3a13 h ASP 422 N 0.26 0.88 0.26 -0.43 3.32 -2.00 -2.91 116.42 115.81 3a13 h ASP 422 Ca 0.13 -0.28 -0.01 0.00 0.02 0.00 0.00 57.03 56.89 3a13 h ASP 422 Cb 0.20 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.52 3a13 h ASP 422 CO -0.03 0.94 -0.12 1.05 -1.72 0.00 0.00 179.24 179.36 3a13 h GLU 423 N 0.79 -0.33 -1.04 3.56 -0.00 -1.66 -3.33 114.58 112.57 3a13 h GLU 423 Ca 0.16 0.02 0.32 0.00 -0.00 0.00 0.00 59.36 59.86 3a13 h GLU 423 Cb 0.46 0.08 -0.14 0.00 -0.00 0.00 0.00 28.75 29.14 3a13 h GLU 423 CO 0.02 -0.22 0.61 -0.92 -0.00 0.00 0.00 179.01 178.50 3a13 h TYR 424 N -1.08 0.87 0.00 2.06 3.20 -1.29 -0.80 116.97 119.92 3a13 h TYR 424 Ca -0.04 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3a13 h TYR 424 Cb 0.27 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.30 3a13 h TYR 424 CO 0.00 -0.14 0.00 0.00 -1.64 0.00 0.00 178.16 176.38 3a13 n ALA 425 N -2.33 2.08 0.14 1.82 0.00 -1.10 -2.48 120.51 118.64 3a13 n ALA 425 Ca 0.31 -0.01 0.05 0.00 0.00 0.00 0.00 53.44 53.79 3a13 n ALA 425 Cb 1.00 -1.43 0.49 0.00 0.00 0.00 0.00 19.45 19.52 3a13 n ALA 425 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 3a13 h LYS 426 N 0.00 0.22 -0.81 0.00 2.10 -1.25 -2.44 116.57 114.39 3a13 h LYS 426 Ca 0.00 -0.03 -0.58 0.00 -2.00 0.00 0.00 60.65 58.04 3a13 h LYS 426 Cb 0.56 -0.04 -0.40 0.00 -0.90 0.00 0.00 32.23 31.45 3a13 h LYS 426 CO 0.00 0.23 -0.42 0.25 -2.00 0.00 0.00 179.45 177.51 3a13 n THR 427 N -4.42 2.79 -3.15 0.07 -2.24 -1.03 -4.86 114.28 101.43 3a13 n THR 427 Ca -0.01 -3.91 0.04 0.00 -2.27 0.00 0.00 64.05 57.90 3a13 n THR 427 Cb 0.15 -1.14 -0.00 0.00 -2.10 0.00 0.00 70.33 67.23 3a13 n THR 427 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3a13 s HIS 428 N -3.65 -1.77 0.15 4.78 4.02 -0.92 -5.07 115.29 112.83 3a13 s HIS 428 Ca 0.54 0.93 -0.15 0.00 1.02 0.00 0.00 55.06 57.40 3a13 s HIS 428 Cb 0.43 0.31 0.02 0.00 -1.02 0.00 0.00 32.58 32.32 3a13 s HIS 428 CO 0.03 -1.05 1.70 1.57 1.02 0.00 0.00 174.74 178.01 3a13 h LYS 429 N 7.80 0.68 -0.28 1.40 -0.00 -1.89 -2.75 116.57 121.53 3a13 h LYS 429 Ca -0.01 -0.12 -0.04 0.00 -0.00 0.00 0.00 60.65 60.48 3a13 h LYS 429 Cb 1.19 -0.11 -0.02 0.00 -0.00 0.00 0.00 32.23 33.29 3a13 h LYS 429 CO 0.13 0.61 -0.00 0.93 -0.00 0.00 0.00 179.45 181.12 3a13 h GLU 430 N 0.60 0.42 0.41 0.07 3.07 -1.91 -1.09 114.58 116.15 3a13 h GLU 430 Ca 0.15 -0.08 -0.02 0.00 -0.50 0.00 0.00 59.36 58.91 3a13 h GLU 430 Cb 0.18 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.03 3a13 h GLU 430 CO -0.01 0.45 -0.20 1.25 -1.40 0.00 0.00 179.01 179.10 3a13 h LEU 431 N 0.41 -0.46 -1.27 1.33 5.85 -1.80 -3.14 115.31 116.23 3a13 h LEU 431 Ca 0.09 -0.12 0.09 0.00 0.84 0.00 0.00 57.88 58.78 3a13 h LEU 431 Cb 0.27 0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.37 3a13 h LEU 431 CO 0.01 -0.07 0.54 0.00 -0.34 0.00 0.00 178.44 178.58 3a13 h ALA 432 N -0.60 1.67 0.00 1.25 0.00 -1.33 0.77 119.26 121.02 3a13 h ALA 432 Ca -0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3a13 h ALA 432 Cb 0.55 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3a13 h ALA 432 CO 0.09 0.18 0.00 0.54 0.00 0.00 0.00 179.25 180.06 3a13 n ARG 433 N -4.51 0.09 -0.09 0.00 5.12 -0.43 -1.17 116.66 115.68 3a13 n ARG 433 Ca 0.14 0.34 -0.23 0.00 -1.93 0.00 0.00 57.85 56.17 3a13 n ARG 433 Cb 0.28 -1.67 -0.12 0.00 -1.16 0.00 0.00 32.46 29.79 3a13 n ARG 433 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3a13 n ALA 434 N -1.63 0.90 -0.33 7.54 0.00 0.18 -3.97 120.51 123.21 3a13 n ALA 434 Ca 0.03 -0.63 0.15 0.00 0.00 0.00 0.00 53.44 52.98 3a13 n ALA 434 Cb 0.19 -0.46 0.34 0.00 0.00 0.00 0.00 19.45 19.52 3a13 n ALA 434 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3a13 h LEU 435 N -0.72 0.59 -0.29 0.00 3.38 -1.04 -0.60 115.31 116.63 3a13 h LEU 435 Ca -0.43 0.13 0.06 0.00 0.09 0.00 0.00 57.88 57.73 3a13 h LEU 435 Cb 1.54 0.04 -0.06 0.00 0.09 0.00 0.00 40.66 42.27 3a13 h LEU 435 CO -0.17 0.12 -0.14 -0.08 0.09 0.00 0.00 178.44 178.26 3a13 h GLU 436 N 0.57 -0.09 -0.02 1.13 4.81 -1.30 1.03 114.58 120.72 3a13 h GLU 436 Ca 0.59 0.01 -0.19 0.00 -0.13 0.00 0.00 59.36 59.64 3a13 h GLU 436 Cb 1.07 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.46 3a13 h GLU 436 CO -0.46 -0.06 -0.83 -0.22 -0.73 0.00 0.00 179.01 176.71 3a13 h LYS 437 N -0.09 0.25 0.00 1.92 3.64 -1.27 -3.39 116.57 117.63 3a13 h LYS 437 Ca 0.15 -0.25 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 3a13 h LYS 437 Cb 0.32 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 3a13 h LYS 437 CO -0.35 0.95 -0.86 0.91 -2.27 0.00 0.00 179.45 177.83 3a13 n TRP 438 N -3.72 0.00 0.00 1.91 8.01 -0.68 -5.10 117.44 117.87 3a13 n TRP 438 Ca -0.04 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.15 3a13 n TRP 438 Cb 0.77 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 30.07 3a13 n TRP 438 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3a13 n GLY 439 N 2.46 3.72 1.02 6.99 0.00 0.35 -2.68 105.19 117.05 3a13 n GLY 439 Ca 0.00 -0.03 0.03 0.00 0.00 0.00 0.00 46.02 46.02 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 13.74 0.23 -2.66 1.61 8.25 -1.26 -4.16 115.22 130.97 3a13 n HIS 440 Ca 0.00 -1.30 -0.29 0.00 -0.26 0.00 0.00 57.72 55.87 3a13 n HIS 440 Cb 0.00 -0.23 -0.02 0.00 1.12 0.00 0.00 29.99 30.87 3a13 n HIS 440 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 3a13 s VAL 441 N -2.46 4.82 -0.38 1.59 -7.23 -1.09 -4.83 120.40 110.83 3a13 s VAL 441 Ca 0.37 0.49 -0.08 0.00 -1.81 0.00 0.00 61.98 60.95 3a13 s VAL 441 Cb 0.38 -3.80 0.05 0.00 0.56 0.00 0.00 36.38 33.57 3a13 s VAL 441 CO -0.09 -0.72 0.18 -0.89 -0.31 0.00 0.00 175.10 173.28 3a13 s THR 442 N -2.60 4.05 0.73 5.32 2.01 -1.26 -4.81 115.64 119.07 3a13 s THR 442 Ca 0.50 -1.23 -0.16 0.00 0.31 0.00 0.00 61.69 61.12 3a13 s THR 442 Cb -0.10 -3.38 0.03 0.00 0.01 0.00 0.00 72.50 69.06 3a13 s THR 442 CO 0.39 -0.33 1.13 -2.65 -0.69 0.00 0.00 174.62 172.47 3a13 n PRO 443 N 4.87 0.56 0.00 4.92 -0.02 -1.26 -4.96 135.00 139.11 3a13 n PRO 443 Ca -0.11 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 3a13 n PRO 443 Cb 0.44 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 3a13 n PRO 443 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76