#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a13 n ASP 10 N 0.00 0.52 0.26 7.72 8.00 -1.26 -2.18 116.55 129.60 3a13 n ASP 10 Ca 0.00 0.63 0.15 0.00 0.71 0.00 0.00 54.79 56.29 3a13 n ASP 10 Cb 0.00 -0.74 0.57 0.00 -0.02 0.00 0.00 41.12 40.93 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 0.00 -0.20 1.24 3.20 -1.99 -3.06 116.97 116.16 3a13 h TYR 11 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3a13 h TYR 11 Cb 0.32 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.59 3a13 h TYR 11 CO 0.00 0.05 0.00 0.66 -1.64 0.00 0.00 178.16 177.23 3a13 n TYR 12 N -3.15 0.24 -4.16 -3.82 4.01 -0.93 -4.82 117.16 104.54 3a13 n TYR 12 Ca 0.01 -0.12 -0.34 0.00 -0.16 0.00 0.00 57.90 57.29 3a13 n TYR 12 Cb 0.36 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.28 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 -1.76 4.39 -0.38 -0.72 1.01 -1.16 -0.55 120.40 121.24 3a13 s VAL 13 Ca 0.34 -0.17 0.06 0.00 0.00 0.00 0.00 61.98 62.21 3a13 s VAL 13 Cb 0.20 -2.96 0.17 0.00 0.00 0.00 0.00 36.38 33.79 3a13 s VAL 13 CO 0.30 0.47 0.53 -0.62 0.00 0.00 0.00 175.10 175.78 3a13 s ASP 14 N 0.42 -0.56 0.00 3.32 -1.08 0.06 -4.92 116.67 113.91 3a13 s ASP 14 Ca 0.00 -0.90 0.22 0.00 -0.52 0.00 0.00 52.55 51.35 3a13 s ASP 14 Cb -0.13 1.47 1.10 0.00 -1.46 0.00 0.00 42.92 43.91 3a13 s ASP 14 CO 0.01 -0.22 1.73 0.29 0.52 0.00 0.00 175.17 177.50 3a13 n LYS 15 N 4.53 0.27 0.02 4.34 5.02 -1.26 -2.33 118.16 128.75 3a13 n LYS 15 Ca 0.10 0.08 0.12 0.00 -2.02 0.00 0.00 58.31 56.58 3a13 n LYS 15 Cb 0.52 -1.50 0.14 0.00 -0.02 0.00 0.00 35.03 34.18 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 0.65 -1.27 3.74 0.72 0.00 -1.26 -4.87 105.19 102.91 3a13 n GLY 16 Ca 0.10 -0.35 -0.41 0.00 0.00 0.00 0.00 46.02 45.35 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 -3.10 3.19 -0.23 1.61 5.04 -0.99 -5.01 117.35 117.86 3a13 s TYR 17 Ca 0.07 1.22 -0.03 0.00 -2.44 0.00 0.00 57.07 55.89 3a13 s TYR 17 Cb 0.15 -3.65 0.01 0.00 0.35 0.00 0.00 41.96 38.82 3a13 s TYR 17 CO 0.74 -2.02 -0.05 -1.83 -1.34 0.00 0.00 175.55 171.05 3a13 s GLU 18 N -0.43 3.16 0.49 4.97 -1.05 -1.26 -4.92 118.70 119.66 3a13 s GLU 18 Ca 0.56 -0.76 -0.23 0.00 -0.15 0.00 0.00 54.97 54.38 3a13 s GLU 18 Cb -0.38 -2.99 -0.07 0.00 -0.44 0.00 0.00 34.13 30.26 3a13 s GLU 18 CO 0.41 -0.27 1.35 -1.25 0.95 0.00 0.00 175.26 176.44 3a13 s PRO 19 N 1.42 3.48 -0.16 -4.83 0.04 -1.26 -4.97 135.00 128.72 3a13 s PRO 19 Ca 0.04 2.22 -0.21 0.00 0.04 0.00 0.00 61.00 63.09 3a13 s PRO 19 Cb -0.15 -2.45 -0.03 0.00 0.04 0.00 0.00 34.50 31.91 3a13 s PRO 19 CO -0.04 -0.91 0.61 0.45 0.04 0.00 0.00 177.00 177.14 3a13 s SER 20 N -0.85 6.73 0.37 6.66 0.15 -1.26 -4.96 113.70 120.53 3a13 s SER 20 Ca 0.66 0.88 0.13 0.00 0.70 0.00 0.00 55.95 58.31 3a13 s SER 20 Cb -0.40 -2.34 0.71 0.00 -1.71 0.00 0.00 66.02 62.28 3a13 s SER 20 CO 0.49 -0.20 1.82 0.11 1.20 0.00 0.00 173.24 176.66 3a13 h LYS 21 N 7.24 0.01 0.00 5.44 1.57 -1.93 -0.77 116.57 128.13 3a13 h LYS 21 Ca -0.35 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 3a13 h LYS 21 Cb 1.16 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.47 3a13 h LYS 21 CO 0.77 0.38 -1.26 1.63 -0.57 0.00 0.00 179.45 180.39 3a13 n LYS 22 N -4.10 0.52 -0.01 3.15 4.76 -1.26 -4.52 118.16 116.71 3a13 n LYS 22 Ca -0.02 0.00 0.02 0.00 -2.87 0.00 0.00 58.31 55.44 3a13 n LYS 22 Cb 0.41 -1.68 -0.05 0.00 -1.84 0.00 0.00 35.03 31.87 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 -2.35 0.73 -4.35 1.97 1.74 -1.17 -4.61 116.66 108.62 3a13 n ARG 23 Ca -0.00 -0.05 -0.35 0.00 -0.77 0.00 0.00 57.85 56.68 3a13 n ARG 23 Cb 0.52 -1.15 -0.10 0.00 -1.02 0.00 0.00 32.46 30.72 3a13 n ARG 23 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3a13 s ASP 24 N -2.90 5.21 0.10 0.55 1.01 -0.30 -1.13 116.67 119.20 3a13 s ASP 24 Ca -0.02 0.11 -0.18 0.00 0.71 0.00 0.00 52.55 53.17 3a13 s ASP 24 Cb 0.04 -1.55 -0.07 0.00 1.01 0.00 0.00 42.92 42.35 3a13 s ASP 24 CO 0.25 0.34 0.56 -0.63 0.21 0.00 0.00 175.17 175.90 3a13 s ILE 25 N -0.64 4.79 -0.12 0.77 1.01 0.77 -4.04 121.20 123.74 3a13 s ILE 25 Ca 0.10 1.08 0.00 0.00 0.00 0.00 0.00 60.65 61.83 3a13 s ILE 25 Cb -0.12 -3.84 0.02 0.00 0.01 0.00 0.00 42.46 38.54 3a13 s ILE 25 CO 0.02 0.45 -0.10 -0.63 0.00 0.00 0.00 174.94 174.69 3a13 s ILE 26 N -1.23 1.18 -0.22 2.92 1.01 -0.82 -0.41 121.20 123.62 3a13 s ILE 26 Ca 0.32 -0.40 -0.12 0.00 0.00 0.00 0.00 60.65 60.45 3a13 s ILE 26 Cb -0.18 -1.15 -0.05 0.00 0.01 0.00 0.00 42.46 41.09 3a13 s ILE 26 CO 0.19 0.39 0.25 0.00 0.00 0.00 0.00 174.94 175.76 3a13 s ALA 27 N 1.53 3.59 -0.24 9.38 0.00 -0.38 0.04 121.76 135.68 3a13 s ALA 27 Ca 0.03 -0.74 -0.14 0.00 0.00 0.00 0.00 51.96 51.11 3a13 s ALA 27 Cb -0.13 -2.43 -0.04 0.00 0.00 0.00 0.00 23.12 20.52 3a13 s ALA 27 CO -0.07 -0.21 0.31 0.08 0.00 0.00 0.00 175.76 175.87 3a13 s VAL 28 N 1.10 5.24 -0.03 0.00 1.01 -0.13 -1.45 120.40 126.14 3a13 s VAL 28 Ca 0.12 0.48 0.07 0.00 0.00 0.00 0.00 61.98 62.65 3a13 s VAL 28 Cb -0.14 -3.64 -0.02 0.00 0.00 0.00 0.00 36.38 32.58 3a13 s VAL 28 CO 0.05 0.24 -0.24 -0.36 0.00 0.00 0.00 175.10 174.79 3a13 s PHE 29 N 1.57 2.40 -0.46 5.22 0.08 0.30 0.53 117.98 127.62 3a13 s PHE 29 Ca 0.14 -0.42 -0.19 0.00 0.12 0.00 0.00 56.93 56.57 3a13 s PHE 29 Cb -0.15 -1.53 0.04 0.00 -0.57 0.00 0.00 43.02 40.81 3a13 s PHE 29 CO 0.08 -0.02 0.58 0.50 -0.10 0.00 0.00 175.22 176.26 3a13 s ARG 30 N -0.58 3.16 -0.22 0.44 3.52 0.23 -0.10 118.95 125.40 3a13 s ARG 30 Ca 0.09 -0.72 -0.07 0.00 -0.13 0.00 0.00 55.73 54.90 3a13 s ARG 30 Cb -0.10 -4.02 -0.04 0.00 -1.56 0.00 0.00 34.95 29.23 3a13 s ARG 30 CO -0.00 -1.06 0.07 0.08 -0.81 0.00 0.00 175.30 173.58 3a13 s VAL 31 N 2.53 4.55 -0.32 7.11 1.01 0.91 -1.08 120.40 135.12 3a13 s VAL 31 Ca 0.16 -0.10 -0.04 0.00 0.00 0.00 0.00 61.98 62.00 3a13 s VAL 31 Cb -0.17 -3.09 0.05 0.00 0.00 0.00 0.00 36.38 33.16 3a13 s VAL 31 CO 0.14 0.40 0.05 -0.89 0.00 0.00 0.00 175.10 174.80 3a13 s THR 32 N 1.00 3.37 0.68 3.92 2.01 -0.21 -0.82 115.64 125.58 3a13 s THR 32 Ca 0.04 -1.27 -0.16 0.00 0.31 0.00 0.00 61.69 60.61 3a13 s THR 32 Cb -0.14 -2.92 0.01 0.00 0.01 0.00 0.00 72.50 69.46 3a13 s THR 32 CO 0.03 -0.14 1.22 -2.84 -0.69 0.00 0.00 174.62 172.19 3a13 s PRO 33 N 1.32 2.46 0.50 4.92 0.02 -1.26 0.02 135.00 142.99 3a13 s PRO 33 Ca -0.03 1.81 -0.19 0.00 0.02 0.00 0.00 61.00 62.61 3a13 s PRO 33 Cb -0.20 -1.87 -0.08 0.00 0.02 0.00 0.00 34.50 32.38 3a13 s PRO 33 CO 0.01 -1.60 1.01 0.00 -0.33 0.00 0.00 177.00 176.09 3a13 s ALA 34 N -1.81 2.91 -0.31 -1.55 0.00 -0.53 -3.98 121.76 116.49 3a13 s ALA 34 Ca 0.76 0.43 -0.42 0.00 0.00 0.00 0.00 51.96 52.74 3a13 s ALA 34 Cb -0.30 -3.20 -0.17 0.00 0.00 0.00 0.00 23.12 19.45 3a13 s ALA 34 CO 0.41 -0.32 1.67 -1.91 0.00 0.00 0.00 175.76 175.60 3a13 n GLU 35 N -1.26 0.81 -0.06 0.00 4.07 -1.26 -1.79 120.64 121.14 3a13 n GLU 35 Ca 0.08 0.30 0.00 0.00 -0.06 0.00 0.00 57.16 57.48 3a13 n GLU 35 Cb 0.53 -1.92 0.00 0.00 -0.06 0.00 0.00 31.44 29.99 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 3.98 0.97 3.12 8.31 0.00 -1.26 -5.08 105.19 115.22 3a13 n GLY 36 Ca 0.27 -0.01 -0.19 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.00 1.12 0.77 1.61 2.02 -0.74 -5.15 117.35 114.98 3a13 s TYR 37 Ca 0.00 -0.32 -0.12 0.00 -0.37 0.00 0.00 57.07 56.26 3a13 s TYR 37 Cb 0.00 -0.68 0.05 0.00 -0.40 0.00 0.00 41.96 40.94 3a13 s TYR 37 CO 0.00 0.01 1.15 0.95 -1.57 0.00 0.00 175.55 176.09 3a13 s THR 38 N -0.75 2.61 0.31 -0.71 -4.23 -1.26 -4.68 115.64 106.93 3a13 s THR 38 Ca 0.01 0.20 0.04 0.00 -1.18 0.00 0.00 61.69 60.76 3a13 s THR 38 Cb -0.07 -3.19 0.10 0.00 1.34 0.00 0.00 72.50 70.67 3a13 s THR 38 CO 0.01 -0.26 1.78 -0.29 -0.54 0.00 0.00 174.62 175.32 3a13 h ILE 39 N -0.90 1.24 -0.52 2.99 6.09 -1.98 -1.51 117.51 122.91 3a13 h ILE 39 Ca -0.46 -1.12 -0.07 0.00 -1.37 0.00 0.00 64.86 61.85 3a13 h ILE 39 Cb 1.30 1.28 -0.02 0.00 0.47 0.00 0.00 36.82 39.85 3a13 h ILE 39 CO 0.65 0.36 0.06 -0.33 -3.07 0.00 0.00 178.15 175.82 3a13 h GLU 40 N 0.39 0.88 -0.12 2.19 3.07 -1.98 0.30 114.58 119.30 3a13 h GLU 40 Ca 0.07 -0.25 -0.09 0.00 -0.50 0.00 0.00 59.36 58.59 3a13 h GLU 40 Cb 0.57 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.37 3a13 h GLU 40 CO 0.04 0.87 -0.33 1.96 -1.40 0.00 0.00 179.01 180.15 3a13 h GLN 41 N 0.76 0.24 -0.00 2.33 4.20 -1.89 -0.04 115.11 120.71 3a13 h GLN 41 Ca 0.16 -0.09 -0.00 0.00 0.06 0.00 0.00 58.65 58.77 3a13 h GLN 41 Cb 0.43 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.20 3a13 h GLN 41 CO 0.01 0.55 -0.00 0.00 -0.67 0.00 0.00 178.83 178.72 3a13 h ALA 42 N 1.45 0.00 -0.43 3.87 0.00 -0.95 -2.84 119.26 120.36 3a13 h ALA 42 Ca 0.03 -0.37 0.02 0.00 0.00 0.00 0.00 54.91 54.59 3a13 h ALA 42 Cb 0.69 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 3a13 h ALA 42 CO 0.05 -0.13 0.25 0.00 0.00 0.00 0.00 179.25 179.42 3a13 h ALA 43 N 0.27 0.54 -0.42 0.00 0.00 -0.39 -1.66 119.26 117.60 3a13 h ALA 43 Ca -0.00 -0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.99 3a13 h ALA 43 Cb 0.73 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.33 3a13 h ALA 43 CO 0.00 -0.08 -0.09 0.78 0.00 0.00 0.00 179.25 179.86 3a13 h GLY 44 N 0.50 0.32 1.22 0.00 0.00 -1.08 0.73 103.07 104.76 3a13 h GLY 44 Ca 0.17 0.13 -0.03 0.00 0.00 0.00 0.00 47.33 47.60 3a13 h GLY 44 CO -0.09 -0.16 0.30 0.00 0.00 0.00 0.00 176.54 176.60 3a13 h ALA 45 N 1.42 1.23 -0.09 3.60 0.00 -1.20 -1.05 119.26 123.18 3a13 h ALA 45 Ca 0.20 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3a13 h ALA 45 Cb 0.31 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 3a13 h ALA 45 CO -0.43 0.58 0.01 0.28 0.00 0.00 0.00 179.25 179.69 3a13 h VAL 46 N 0.99 1.23 -0.92 0.00 2.07 -0.32 -1.26 116.25 118.05 3a13 h VAL 46 Ca 0.24 -0.72 0.10 0.00 0.82 0.00 0.00 66.70 67.14 3a13 h VAL 46 Cb 0.15 1.54 -0.08 0.00 -1.52 0.00 0.00 31.29 31.38 3a13 h VAL 46 CO -0.03 0.20 0.56 0.00 0.02 0.00 0.00 177.57 178.32 3a13 h ALA 47 N 0.76 1.33 -0.07 1.67 0.00 -0.66 -2.00 119.26 120.29 3a13 h ALA 47 Ca 0.03 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 3a13 h ALA 47 Cb 0.31 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3a13 h ALA 47 CO 0.00 0.20 -0.17 0.00 0.00 0.00 0.00 179.25 179.28 3a13 h ALA 48 N 1.49 0.12 0.00 0.00 0.00 -1.04 -2.73 119.26 117.09 3a13 h ALA 48 Ca 0.44 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3a13 h ALA 48 Cb 0.38 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3a13 h ALA 48 CO -0.24 0.05 0.00 0.93 0.00 0.00 0.00 179.25 179.98 3a13 h GLU 49 N -0.24 0.00 -0.25 0.00 4.39 -1.10 -1.06 114.58 116.32 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 0.77 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.42 3a13 h GLU 49 CO 0.04 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 176.76 3a13 n SER 50 N -2.89 3.03 0.00 1.42 3.41 -0.77 -4.85 113.62 112.97 3a13 n SER 50 Ca 0.01 -1.94 0.00 0.00 -0.26 0.00 0.00 58.87 56.68 3a13 n SER 50 Cb 0.28 -0.16 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 3a13 n SER 50 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3a13 n SER 51 N 1.25 0.00 -0.95 4.04 3.41 -0.84 -4.57 113.62 115.95 3a13 n SER 51 Ca 0.18 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.90 3a13 n SER 51 Cb 0.56 0.00 0.13 0.00 -0.26 0.00 0.00 64.21 64.64 3a13 n SER 51 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3a13 n THR 52 N 0.00 0.16 -3.12 6.66 -2.24 -1.18 -5.04 114.28 109.52 3a13 n THR 52 Ca 0.00 -0.58 -0.18 0.00 -2.27 0.00 0.00 64.05 61.02 3a13 n THR 52 Cb 0.00 1.31 0.05 0.00 -2.10 0.00 0.00 70.33 69.60 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 1.29 2.05 3.63 3.38 0.00 -0.46 -5.06 105.19 110.01 3a13 n GLY 53 Ca 0.15 -2.22 -0.10 0.00 0.00 0.00 0.00 46.02 43.84 3a13 n GLY 53 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3a13 s THR 54 N -2.27 0.00 -0.64 2.61 2.01 -1.26 -4.77 115.64 111.31 3a13 s THR 54 Ca 0.52 -1.35 0.25 0.00 0.31 0.00 0.00 61.69 61.42 3a13 s THR 54 Cb -0.04 -2.45 0.21 0.00 0.01 0.00 0.00 72.50 70.22 3a13 s THR 54 CO 0.33 0.00 1.58 4.11 -0.69 0.00 0.00 174.62 179.95 3a13 h TRP 55 N 2.14 0.00 -1.64 4.92 5.08 -2.01 -3.47 115.95 120.98 3a13 h TRP 55 Ca -0.27 0.00 -0.60 0.00 1.08 0.00 0.00 58.89 59.09 3a13 h TRP 55 Cb 1.25 0.00 -0.13 0.00 -3.00 0.00 0.00 29.16 27.28 3a13 h TRP 55 CO 0.92 0.00 -0.55 0.95 -1.28 0.00 0.00 178.44 178.48 3a13 s THR 56 N -3.15 1.20 0.34 0.12 -4.23 -1.26 -5.09 115.64 103.57 3a13 s THR 56 Ca 0.08 -2.00 -0.23 0.00 -1.18 0.00 0.00 61.69 58.36 3a13 s THR 56 Cb 0.12 -2.49 -0.10 0.00 1.34 0.00 0.00 72.50 71.36 3a13 s THR 56 CO 0.65 0.00 0.91 0.28 -0.54 0.00 0.00 174.62 175.92 3a13 s THR 57 N -3.00 4.32 -0.08 3.99 -1.32 -1.26 -5.08 115.64 113.21 3a13 s THR 57 Ca 0.22 1.63 0.03 0.00 -1.21 0.00 0.00 61.69 62.35 3a13 s THR 57 Cb 0.05 -3.86 0.01 0.00 -1.51 0.00 0.00 72.50 67.19 3a13 s THR 57 CO 0.11 0.00 -0.16 -1.48 -2.21 0.00 0.00 174.62 170.89 3a13 s LEU 58 N -2.40 1.76 0.96 9.08 -0.00 -1.26 -5.12 118.68 121.69 3a13 s LEU 58 Ca 0.53 -0.39 -0.13 0.00 -0.00 0.00 0.00 54.13 54.14 3a13 s LEU 58 Cb -0.15 -1.02 0.04 0.00 -0.00 0.00 0.00 46.19 45.06 3a13 s LEU 58 CO 0.20 0.06 0.35 0.00 -0.00 0.00 0.00 176.35 176.96 3a13 n TYR 59 N 3.83 -1.54 -3.76 3.48 4.11 -1.26 -4.94 117.16 117.08 3a13 n TYR 59 Ca -0.21 0.22 -0.37 0.00 -0.00 0.00 0.00 57.90 57.54 3a13 n TYR 59 Cb 0.52 -1.76 -0.13 0.00 -0.00 0.00 0.00 39.34 37.97 3a13 n TYR 59 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.86 175.61 3a13 s PRO 60 N -3.59 3.36 -0.03 -3.48 0.04 -1.26 -4.90 135.00 125.14 3a13 s PRO 60 Ca 0.56 -0.68 0.04 0.00 0.04 0.00 0.00 61.00 60.97 3a13 s PRO 60 Cb -0.20 -3.35 0.06 0.00 0.04 0.00 0.00 34.50 31.05 3a13 s PRO 60 CO 0.68 -0.32 0.95 -2.67 0.04 0.00 0.00 177.00 175.68 3a13 n TRP 61 N 4.90 0.00 -4.16 0.56 4.27 -1.26 -5.05 117.44 116.69 3a13 n TRP 61 Ca -0.15 -0.50 -0.10 0.00 -3.89 0.00 0.00 57.50 52.86 3a13 n TRP 61 Cb 0.50 -0.06 -0.10 0.00 -1.36 0.00 0.00 31.31 30.28 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 -1.19 0.85 -0.28 -2.67 -0.85 -1.26 -5.09 117.35 106.86 3a13 s TYR 62 Ca 0.07 -0.98 -0.28 0.00 -0.52 0.00 0.00 57.07 55.35 3a13 s TYR 62 Cb 0.06 -0.51 -0.03 0.00 0.38 0.00 0.00 41.96 41.87 3a13 s TYR 62 CO 0.01 -0.23 1.83 -2.00 -1.52 0.00 0.00 175.55 173.64 3a13 s GLU 63 N -3.88 3.41 0.34 -3.49 2.12 -1.26 -4.87 118.70 111.07 3a13 s GLU 63 Ca 0.13 1.59 0.06 0.00 0.36 0.00 0.00 54.97 57.11 3a13 s GLU 63 Cb 0.06 -4.19 0.71 0.00 0.26 0.00 0.00 34.13 30.97 3a13 s GLU 63 CO -0.04 -1.77 1.90 0.37 -0.54 0.00 0.00 175.26 175.18 3a13 h GLN 64 N 12.75 0.79 -0.40 4.30 5.75 -1.99 -2.51 115.11 133.80 3a13 h GLN 64 Ca -0.35 -0.05 -0.12 0.00 -0.15 0.00 0.00 58.65 57.98 3a13 h GLN 64 Cb 1.18 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 29.54 3a13 h GLN 64 CO 1.01 0.52 -0.22 1.49 -2.65 0.00 0.00 178.83 178.98 3a13 h GLU 65 N 0.81 0.85 -0.27 1.69 4.57 -1.99 -0.68 114.58 119.56 3a13 h GLU 65 Ca 0.40 -0.39 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 3a13 h GLU 65 Cb 0.46 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.02 3a13 h GLU 65 CO -0.17 1.03 0.18 -0.09 -1.18 0.00 0.00 179.01 178.77 3a13 h ARG 66 N 0.66 0.36 -0.02 1.92 2.43 -1.88 -1.17 114.38 116.68 3a13 h ARG 66 Ca 0.08 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.23 3a13 h ARG 66 Cb 0.79 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.26 3a13 h ARG 66 CO 0.06 0.25 0.01 2.35 -1.51 0.00 0.00 179.97 181.13 3a13 h TRP 67 N 0.36 0.02 -0.88 2.20 7.01 -1.30 -2.64 115.95 120.72 3a13 h TRP 67 Ca 0.10 0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.12 3a13 h TRP 67 Cb -0.03 -0.01 -0.05 0.00 -2.10 0.00 0.00 29.16 26.98 3a13 h TRP 67 CO -0.05 0.05 0.58 0.00 -2.79 0.00 0.00 178.44 176.23 3a13 h ALA 68 N 0.97 1.42 0.00 2.65 0.00 -1.02 -2.05 119.26 121.22 3a13 h ALA 68 Ca 0.01 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3a13 h ALA 68 Cb 0.04 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 3a13 h ALA 68 CO -0.00 0.51 -0.07 0.22 0.00 0.00 0.00 179.25 179.91 3a13 h ASP 69 N 1.13 0.00 -0.29 0.00 3.58 -0.89 -2.76 116.42 117.20 3a13 h ASP 69 Ca 0.34 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.79 3a13 h ASP 69 Cb -0.03 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.02 3a13 h ASP 69 CO -0.09 0.07 0.00 0.18 -2.88 0.00 0.00 179.24 176.52 3a13 n LEU 70 N -3.25 3.14 -4.77 2.28 4.77 -0.79 -4.89 117.00 113.50 3a13 n LEU 70 Ca -0.00 -1.42 -0.38 0.00 -0.03 0.00 0.00 56.01 54.17 3a13 n LEU 70 Cb 0.29 -0.18 -0.06 0.00 -2.33 0.00 0.00 43.42 41.14 3a13 n LEU 70 CO 0.28 0.66 0.63 -0.44 -1.33 0.00 0.00 177.39 177.19 3a13 s SER 71 N -1.41 7.48 0.64 -1.43 0.01 -1.04 -4.71 113.70 113.23 3a13 s SER 71 Ca 0.32 1.86 -0.10 0.00 1.31 0.00 0.00 55.95 59.35 3a13 s SER 71 Cb 0.19 -2.58 -0.01 0.00 0.21 0.00 0.00 66.02 63.83 3a13 s SER 71 CO 0.27 0.06 1.01 0.00 0.41 0.00 0.00 173.24 174.99 3a13 s ALA 72 N -1.38 3.09 -0.08 1.44 0.00 -1.26 -4.76 121.76 118.80 3a13 s ALA 72 Ca 0.45 -0.37 -0.00 0.00 0.00 0.00 0.00 51.96 52.04 3a13 s ALA 72 Cb -0.22 -2.91 0.02 0.00 0.00 0.00 0.00 23.12 20.01 3a13 s ALA 72 CO 0.28 -0.87 -0.05 0.15 0.00 0.00 0.00 175.76 175.27 3a13 s LYS 73 N -5.17 1.12 -0.26 0.00 -0.14 -0.50 -4.73 119.74 110.06 3a13 s LYS 73 Ca 0.55 -0.13 -0.29 0.00 -1.36 0.00 0.00 55.97 54.74 3a13 s LYS 73 Cb -0.11 -1.21 0.00 0.00 -1.68 0.00 0.00 37.83 34.83 3a13 s LYS 73 CO 0.50 -0.20 1.17 0.00 -0.76 0.00 0.00 175.35 176.07 3a13 s ALA 74 N 1.48 3.54 0.00 5.17 0.00 0.29 -0.43 121.76 131.80 3a13 s ALA 74 Ca -0.01 0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.11 3a13 s ALA 74 Cb -0.13 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.33 3a13 s ALA 74 CO -0.04 -1.39 0.00 2.48 0.00 0.00 0.00 175.76 176.81 3a13 n TYR 75 N 6.89 0.00 -3.90 0.00 0.18 -0.41 -0.76 117.16 119.16 3a13 n TYR 75 Ca 0.13 0.00 -0.22 0.00 1.88 0.00 0.00 57.90 59.69 3a13 n TYR 75 Cb 0.46 0.00 -0.17 0.00 -0.38 0.00 0.00 39.34 39.25 3a13 n TYR 75 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 3a13 s ASP 76 N -0.76 1.46 -0.11 9.48 2.15 -1.21 -4.34 116.67 123.34 3a13 s ASP 76 Ca 0.00 -0.12 0.02 0.00 0.43 0.00 0.00 52.55 52.88 3a13 s ASP 76 Cb 0.00 -0.49 -0.01 0.00 -0.30 0.00 0.00 42.92 42.12 3a13 s ASP 76 CO 0.00 -0.14 -0.18 -0.36 -0.17 0.00 0.00 175.17 174.31 3a13 s PHE 77 N 1.62 2.68 -0.11 -5.34 0.08 -1.26 -0.91 117.98 114.75 3a13 s PHE 77 Ca 0.00 -0.81 -0.00 0.00 0.12 0.00 0.00 56.93 56.23 3a13 s PHE 77 Cb -0.13 -1.77 0.02 0.00 -0.57 0.00 0.00 43.02 40.58 3a13 s PHE 77 CO -0.04 -0.29 -0.07 -1.58 -0.10 0.00 0.00 175.22 173.14 3a13 s HIS 78 N 0.30 1.43 -0.08 0.36 5.65 -0.12 -4.99 115.29 117.83 3a13 s HIS 78 Ca -0.14 -0.70 -0.30 0.00 0.25 0.00 0.00 55.06 54.18 3a13 s HIS 78 Cb -0.17 -1.20 -0.03 0.00 -1.18 0.00 0.00 32.58 30.00 3a13 s HIS 78 CO 0.07 -0.50 1.28 0.34 -0.65 0.00 0.00 174.74 175.28 3a13 s ASP 79 N 1.72 6.96 0.12 9.88 2.15 -1.26 -0.85 116.67 135.39 3a13 s ASP 79 Ca 0.05 1.85 0.26 0.00 0.43 0.00 0.00 52.55 55.14 3a13 s ASP 79 Cb -0.13 -2.55 0.73 0.00 -0.30 0.00 0.00 42.92 40.68 3a13 s ASP 79 CO -0.08 -0.68 1.64 0.23 -0.17 0.00 0.00 175.17 176.11 3a13 n MET 80 N 5.76 0.19 -1.33 4.34 2.81 -0.37 -4.94 117.12 123.59 3a13 n MET 80 Ca 0.13 0.11 0.00 0.00 -1.81 0.00 0.00 57.70 56.13 3a13 n MET 80 Cb 0.45 -1.68 0.00 0.00 -0.71 0.00 0.00 33.22 31.28 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 1.37 0.40 0.18 3.03 0.00 -1.25 -4.91 105.19 104.01 3a13 n GLY 81 Ca 0.05 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.07 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 1.95 0.00 0.00 1.61 5.68 -1.26 -4.96 116.55 119.57 3a13 n ASP 82 Ca 0.00 -1.33 0.00 0.00 -0.50 0.00 0.00 54.79 52.96 3a13 n ASP 82 Cb 0.18 -0.07 0.00 0.00 -1.14 0.00 0.00 41.12 40.09 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 0.00 1.87 3.63 6.12 0.00 -1.26 -5.06 105.19 110.48 3a13 n GLY 83 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 3a13 n GLY 83 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3a13 s SER 84 N -1.47 4.62 0.01 1.61 1.04 -1.26 -4.26 113.70 113.98 3a13 s SER 84 Ca 0.00 -0.43 0.04 0.00 0.48 0.00 0.00 55.95 56.05 3a13 s SER 84 Cb 0.00 -0.93 -0.01 0.00 0.10 0.00 0.00 66.02 65.17 3a13 s SER 84 CO 0.00 0.11 -0.13 0.26 0.98 0.00 0.00 173.24 174.45 3a13 s TRP 85 N -1.64 1.18 -0.25 5.02 0.51 -0.00 -1.23 118.94 122.52 3a13 s TRP 85 Ca 0.26 -0.27 -0.26 0.00 -2.12 0.00 0.00 56.10 53.70 3a13 s TRP 85 Cb -0.09 -0.74 0.00 0.00 -0.81 0.00 0.00 33.47 31.83 3a13 s TRP 85 CO 0.17 0.00 0.93 0.42 -0.51 0.00 0.00 176.95 177.96 3a13 s ILE 86 N -0.52 4.74 -0.12 2.03 -1.09 -0.03 -0.06 121.20 126.14 3a13 s ILE 86 Ca 0.04 1.70 0.03 0.00 -2.23 0.00 0.00 60.65 60.19 3a13 s ILE 86 Cb -0.06 -4.22 0.00 0.00 -1.58 0.00 0.00 42.46 36.60 3a13 s ILE 86 CO 0.00 -0.18 -0.22 -0.69 -1.23 0.00 0.00 174.94 172.63 3a13 s VAL 87 N 3.07 2.18 -0.20 2.92 1.01 0.86 -0.95 120.40 129.30 3a13 s VAL 87 Ca 0.39 -0.96 -0.11 0.00 0.00 0.00 0.00 61.98 61.30 3a13 s VAL 87 Cb -0.15 -1.86 -0.05 0.00 0.00 0.00 0.00 36.38 34.33 3a13 s VAL 87 CO 0.08 0.55 0.16 -0.13 0.00 0.00 0.00 175.10 175.76 3a13 s ARG 88 N 0.58 4.19 -0.06 2.72 0.52 -0.09 -0.54 118.95 126.27 3a13 s ARG 88 Ca -0.12 -0.18 0.04 0.00 -0.52 0.00 0.00 55.73 54.95 3a13 s ARG 88 Cb -0.17 -3.44 -0.00 0.00 0.52 0.00 0.00 34.95 31.87 3a13 s ARG 88 CO 0.03 0.26 -0.19 0.42 0.02 0.00 0.00 175.30 175.84 3a13 s ILE 89 N 0.47 1.62 -0.08 1.52 1.01 -0.53 -1.29 121.20 123.93 3a13 s ILE 89 Ca 0.09 -0.80 0.00 0.00 0.00 0.00 0.00 60.65 59.94 3a13 s ILE 89 Cb -0.12 -1.40 -0.03 0.00 0.01 0.00 0.00 42.46 40.92 3a13 s ILE 89 CO -0.00 0.46 -0.08 0.00 0.00 0.00 0.00 174.94 175.32 3a13 s ALA 90 N 0.16 2.91 -0.05 9.38 0.00 0.42 -1.25 121.76 133.33 3a13 s ALA 90 Ca -0.08 -0.89 0.03 0.00 0.00 0.00 0.00 51.96 51.01 3a13 s ALA 90 Cb -0.14 -1.24 0.01 0.00 0.00 0.00 0.00 23.12 21.75 3a13 s ALA 90 CO 0.04 0.49 -0.12 0.71 0.00 0.00 0.00 175.76 176.88 3a13 s TYR 91 N -0.53 1.38 0.25 0.00 2.02 0.45 -1.42 117.35 119.50 3a13 s TYR 91 Ca 0.08 -0.46 -0.30 0.00 -0.37 0.00 0.00 57.07 56.02 3a13 s TYR 91 Cb -0.12 -1.00 -0.09 0.00 -0.40 0.00 0.00 41.96 40.35 3a13 s TYR 91 CO 0.02 -0.22 1.23 -1.25 -1.57 0.00 0.00 175.55 173.76 3a13 s PRO 92 N 0.49 4.47 0.54 -1.71 0.04 -1.26 -0.16 135.00 137.40 3a13 s PRO 92 Ca -0.11 2.00 0.28 0.00 0.04 0.00 0.00 61.00 63.22 3a13 s PRO 92 Cb -0.14 -3.17 1.58 0.00 0.04 0.00 0.00 34.50 32.81 3a13 s PRO 92 CO 0.03 -0.08 2.13 0.27 0.04 0.00 0.00 177.00 179.39 3a13 h PHE 93 N 4.41 0.00 -0.01 0.56 -5.15 -1.49 -1.36 116.94 113.90 3a13 h PHE 93 Ca -0.46 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.31 3a13 h PHE 93 Cb 1.22 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.39 3a13 h PHE 93 CO 0.60 0.08 0.00 -2.39 -2.00 0.00 0.00 178.31 174.60 3a13 n HIS 94 N -3.68 0.01 0.62 6.09 1.44 -1.26 -2.32 115.22 116.11 3a13 n HIS 94 Ca -0.02 -0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.81 3a13 n HIS 94 Cb 0.19 0.00 0.42 0.00 0.12 0.00 0.00 29.99 30.72 3a13 n HIS 94 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3a13 n ALA 95 N -0.60 2.22 -2.44 1.59 0.00 -0.51 -4.85 120.51 115.92 3a13 n ALA 95 Ca 0.06 -0.02 -0.30 0.00 0.00 0.00 0.00 53.44 53.19 3a13 n ALA 95 Cb 0.04 -1.46 -0.12 0.00 0.00 0.00 0.00 19.45 17.90 3a13 n ALA 95 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3a13 s PHE 96 N -3.12 2.45 0.26 0.00 0.08 -0.98 -5.10 117.98 111.56 3a13 s PHE 96 Ca 0.10 -0.31 -0.31 0.00 0.12 0.00 0.00 56.93 56.53 3a13 s PHE 96 Cb 0.12 -1.34 -0.12 0.00 -0.57 0.00 0.00 43.02 41.11 3a13 s PHE 96 CO 0.57 0.32 1.55 -1.91 -0.10 0.00 0.00 175.22 175.65 3a13 n GLU 97 N 1.06 2.45 -1.73 0.44 2.13 -1.26 -4.94 120.64 118.80 3a13 n GLU 97 Ca -0.17 0.87 -0.42 0.00 0.66 0.00 0.00 57.16 58.11 3a13 n GLU 97 Cb 0.53 -2.62 -0.00 0.00 0.27 0.00 0.00 31.44 29.61 3a13 n GLU 97 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 3a13 n GLU 98 N 2.41 2.33 -3.98 5.31 1.02 -1.26 -3.41 120.64 123.06 3a13 n GLU 98 Ca 0.11 0.82 -0.27 0.00 -0.02 0.00 0.00 57.16 57.80 3a13 n GLU 98 Cb 0.34 -2.46 -0.02 0.00 -0.02 0.00 0.00 31.44 29.28 3a13 n GLU 98 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3a13 n ALA 99 N 0.45 -1.90 -3.57 0.62 0.00 -1.26 -4.95 120.51 109.90 3a13 n ALA 99 Ca 0.04 -0.22 -0.28 0.00 0.00 0.00 0.00 53.44 52.97 3a13 n ALA 99 Cb 0.37 -1.81 -0.11 0.00 0.00 0.00 0.00 19.45 17.90 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 -4.22 2.78 0.15 0.00 3.84 -1.22 -5.00 114.94 111.28 3a13 s ASN 100 Ca 0.11 -3.04 -0.15 0.00 0.21 0.00 0.00 52.86 49.99 3a13 s ASN 100 Cb -0.06 -0.81 0.02 0.00 -0.55 0.00 0.00 41.25 39.85 3a13 s ASN 100 CO 0.89 -0.19 1.74 0.25 -2.79 0.00 0.00 177.10 177.00 3a13 h LEU 101 N 5.97 0.56 -1.00 3.21 5.85 -1.92 -1.69 115.31 126.30 3a13 h LEU 101 Ca 0.16 -0.11 0.14 0.00 0.84 0.00 0.00 57.88 58.91 3a13 h LEU 101 Cb 0.89 -0.14 -0.09 0.00 0.37 0.00 0.00 40.66 41.68 3a13 h LEU 101 CO 0.45 0.51 0.62 -0.65 -0.34 0.00 0.00 178.44 179.03 3a13 h PRO 102 N 0.57 0.88 -0.16 5.25 0.11 -1.95 0.13 132.00 136.84 3a13 h PRO 102 Ca 0.15 -0.05 -0.17 0.00 0.11 0.00 0.00 66.00 66.04 3a13 h PRO 102 Cb 0.09 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 31.00 3a13 h PRO 102 CO -0.02 0.58 -0.61 0.78 -0.21 0.00 0.00 178.00 178.53 3a13 h GLY 103 N 0.91 0.59 0.96 -0.55 0.00 -1.88 -1.55 103.07 101.54 3a13 h GLY 103 Ca 0.52 -0.73 -0.01 0.00 0.00 0.00 0.00 47.33 47.12 3a13 h GLY 103 CO -0.31 0.65 -0.08 -2.00 0.00 0.00 0.00 176.54 174.81 3a13 h LEU 104 N 0.40 -0.18 -1.23 3.11 7.12 -0.37 -2.66 115.31 121.50 3a13 h LEU 104 Ca -0.00 -0.03 0.18 0.00 0.13 0.00 0.00 57.88 58.15 3a13 h LEU 104 Cb 1.16 0.05 -0.08 0.00 -0.53 0.00 0.00 40.66 41.25 3a13 h LEU 104 CO 0.11 -0.09 0.60 -0.07 -0.13 0.00 0.00 178.44 178.87 3a13 h LEU 105 N -0.25 0.65 -1.75 2.25 4.07 -0.68 -0.09 115.31 119.50 3a13 h LEU 105 Ca -0.02 0.06 -0.01 0.00 0.08 0.00 0.00 57.88 57.99 3a13 h LEU 105 Cb 0.20 -0.06 -0.01 0.00 1.08 0.00 0.00 40.66 41.87 3a13 h LEU 105 CO 0.04 0.28 0.09 0.00 -1.08 0.00 0.00 178.44 177.76 3a13 h ALA 106 N 1.61 1.81 0.08 1.53 0.00 -0.92 0.80 119.26 124.17 3a13 h ALA 106 Ca 0.51 -0.04 -0.28 0.00 0.00 0.00 0.00 54.91 55.10 3a13 h ALA 106 Cb 0.91 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 3a13 h ALA 106 CO -0.27 0.16 -1.47 0.66 0.00 0.00 0.00 179.25 178.34 3a13 h SER 107 N 0.25 0.27 -0.23 0.00 4.64 -0.95 -3.20 113.55 114.33 3a13 h SER 107 Ca 0.07 -0.79 0.00 0.00 -0.47 0.00 0.00 61.79 60.60 3a13 h SER 107 Cb 0.03 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 3a13 h SER 107 CO -0.01 1.62 0.00 2.30 -0.87 0.00 0.00 176.83 179.87 3a13 n ILE 108 N -3.98 0.29 -2.56 0.95 -6.64 -0.84 -4.26 119.36 102.31 3a13 n ILE 108 Ca -0.28 -0.53 -0.01 0.00 -1.77 0.00 0.00 62.75 60.16 3a13 n ILE 108 Cb 0.86 0.80 0.05 0.00 -1.44 0.00 0.00 39.64 39.91 3a13 n ILE 108 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3a13 n ALA 109 N 0.96 2.87 -2.60 -1.28 0.00 0.27 -4.99 120.51 115.74 3a13 n ALA 109 Ca 0.17 -1.73 0.00 0.00 0.00 0.00 0.00 53.44 51.88 3a13 n ALA 109 Cb 0.49 -0.73 0.00 0.00 0.00 0.00 0.00 19.45 19.21 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 -0.58 1.32 0.33 0.00 0.00 -1.20 -4.80 105.19 100.26 3a13 n GLY 110 Ca -0.08 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.42 1.61 2.35 -1.89 -3.01 115.58 114.22 3a13 h ASN 111 Ca 0.00 0.00 0.12 0.00 -0.55 0.00 0.00 56.30 55.87 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 0.31 0.16 -1.65 0.00 0.00 177.43 176.25 3a13 h ILE 112 N 0.00 0.76 0.00 2.81 3.07 -1.88 -0.43 117.51 121.84 3a13 h ILE 112 Ca 0.05 0.00 -0.01 0.00 1.55 0.00 0.00 64.86 66.45 3a13 h ILE 112 Cb 0.31 0.78 -0.00 0.00 -0.27 0.00 0.00 36.82 37.64 3a13 h ILE 112 CO -0.00 0.00 -0.03 -0.26 -1.05 0.00 0.00 178.15 176.81 3a13 h PHE 113 N 0.00 0.00 -0.47 0.16 0.04 -1.89 -3.01 116.94 111.76 3a13 h PHE 113 Ca 0.20 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.97 3a13 h PHE 113 Cb 0.82 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.97 3a13 h PHE 113 CO 0.00 0.03 0.00 0.41 -0.60 0.00 0.00 178.31 178.15 3a13 n GLY 114 N -0.49 2.54 3.75 -1.45 0.00 -0.17 -4.83 105.19 104.54 3a13 n GLY 114 Ca -0.01 -0.53 -0.41 0.00 0.00 0.00 0.00 46.02 45.07 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 -1.02 4.41 0.23 1.61 -1.94 -1.14 -4.90 119.30 116.55 3a13 s MET 115 Ca 0.33 2.09 0.24 0.00 -1.71 0.00 0.00 55.69 56.63 3a13 s MET 115 Cb 0.17 -3.14 0.93 0.00 2.01 0.00 0.00 34.83 34.80 3a13 s MET 115 CO 0.22 -0.16 1.72 1.63 -0.01 0.00 0.00 175.02 178.43 3a13 n LYS 116 N 1.63 0.20 0.00 2.03 5.02 -1.26 -2.49 118.16 123.28 3a13 n LYS 116 Ca 0.02 0.36 0.14 0.00 -2.02 0.00 0.00 58.31 56.81 3a13 n LYS 116 Cb 0.43 -1.83 0.63 0.00 -0.02 0.00 0.00 35.03 34.23 3a13 n LYS 116 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 3a13 n ARG 117 N -2.19 0.03 -5.12 1.97 0.63 -1.26 -4.67 116.66 106.05 3a13 n ARG 117 Ca 0.03 0.00 -0.30 0.00 -0.92 0.00 0.00 57.85 56.66 3a13 n ARG 117 Cb 0.27 -1.50 -0.16 0.00 0.45 0.00 0.00 32.46 31.52 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 1.86 -0.16 5.15 -7.23 -1.04 -1.45 120.40 114.55 3a13 s VAL 118 Ca 0.15 -0.94 0.15 0.00 -1.81 0.00 0.00 61.98 59.53 3a13 s VAL 118 Cb 0.19 -1.59 0.05 0.00 0.56 0.00 0.00 36.38 35.59 3a13 s VAL 118 CO 0.52 0.52 1.39 0.50 -0.31 0.00 0.00 175.10 177.73 3a13 h LYS 119 N 6.27 0.00 -2.14 4.82 3.64 -0.53 -3.43 116.57 125.20 3a13 h LYS 119 Ca -0.30 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.02 3a13 h LYS 119 Cb 1.19 0.00 -0.20 0.00 -0.41 0.00 0.00 32.23 32.80 3a13 h LYS 119 CO 0.47 0.48 0.09 0.20 -2.27 0.00 0.00 179.45 178.42 3a13 s GLY 120 N -4.48 -0.51 -0.17 5.01 0.00 -0.99 -5.00 107.32 101.17 3a13 s GLY 120 Ca 0.03 1.57 -0.04 0.00 0.00 0.00 0.00 44.72 46.29 3a13 s GLY 120 CO 0.75 1.28 0.19 -2.27 0.00 0.00 0.00 173.10 173.05 3a13 s LEU 121 N -0.32 -0.03 -0.20 0.66 2.96 -1.01 -1.04 118.68 119.70 3a13 s LEU 121 Ca -0.05 -0.17 -0.01 0.00 -0.22 0.00 0.00 54.13 53.68 3a13 s LEU 121 Cb -0.03 0.26 0.00 0.00 0.50 0.00 0.00 46.19 46.92 3a13 s LEU 121 CO 0.04 -0.31 -0.12 -0.60 -1.32 0.00 0.00 176.35 174.04 3a13 s ARG 122 N 2.29 3.21 -0.46 1.98 3.52 -0.24 -1.63 118.95 127.62 3a13 s ARG 122 Ca 0.05 -0.72 -0.29 0.00 -0.13 0.00 0.00 55.73 54.65 3a13 s ARG 122 Cb -0.15 -2.79 0.01 0.00 -1.56 0.00 0.00 34.95 30.46 3a13 s ARG 122 CO -0.10 -0.18 1.38 -1.17 -0.81 0.00 0.00 175.30 174.42 3a13 s LEU 123 N 1.33 3.54 -0.02 -0.88 2.96 -0.71 0.76 118.68 125.67 3a13 s LEU 123 Ca 0.04 0.63 0.02 0.00 -0.22 0.00 0.00 54.13 54.61 3a13 s LEU 123 Cb -0.14 -3.41 -0.25 0.00 0.50 0.00 0.00 46.19 42.88 3a13 s LEU 123 CO -0.07 -1.49 0.77 -0.33 -1.32 0.00 0.00 176.35 173.92 3a13 h GLU 124 N 10.63 0.15 -2.71 1.98 4.39 -0.25 -1.27 114.58 127.50 3a13 h GLU 124 Ca -0.27 -0.26 -0.02 0.00 0.34 0.00 0.00 59.36 59.16 3a13 h GLU 124 Cb 1.10 0.10 -0.14 0.00 -0.10 0.00 0.00 28.75 29.70 3a13 h GLU 124 CO 1.12 0.93 0.23 0.34 -1.16 0.00 0.00 179.01 180.47 3a13 s ASP 125 N -6.69 -0.57 -0.19 1.42 -1.08 -1.13 -4.38 116.67 104.04 3a13 s ASP 125 Ca -0.09 0.17 -0.01 0.00 -0.52 0.00 0.00 52.55 52.10 3a13 s ASP 125 Cb 0.07 0.57 0.05 0.00 -1.46 0.00 0.00 42.92 42.15 3a13 s ASP 125 CO 0.83 -0.86 -0.03 -0.76 0.52 0.00 0.00 175.17 174.87 3a13 s LEU 126 N -2.36 1.74 -0.22 -1.34 1.43 -1.26 -0.95 118.68 115.72 3a13 s LEU 126 Ca -0.01 -0.84 -0.21 0.00 -1.03 0.00 0.00 54.13 52.04 3a13 s LEU 126 Cb -0.01 -0.89 -0.02 0.00 0.03 0.00 0.00 46.19 45.30 3a13 s LEU 126 CO -0.07 -0.23 0.64 -0.47 0.23 0.00 0.00 176.35 176.44 3a13 s TYR 127 N 1.63 3.33 -0.18 0.29 5.04 0.11 -4.95 117.35 122.62 3a13 s TYR 127 Ca -0.02 0.89 -0.06 0.00 -2.44 0.00 0.00 57.07 55.45 3a13 s TYR 127 Cb -0.17 -2.83 -0.03 0.00 0.35 0.00 0.00 41.96 39.28 3a13 s TYR 127 CO -0.07 -0.25 0.03 -0.06 -1.34 0.00 0.00 175.55 173.86 3a13 s PHE 128 N 2.20 3.14 0.79 4.97 0.08 -1.26 -1.94 117.98 125.96 3a13 s PHE 128 Ca 0.28 -0.16 -0.10 0.00 0.12 0.00 0.00 56.93 57.06 3a13 s PHE 128 Cb -0.16 -2.06 0.07 0.00 -0.57 0.00 0.00 43.02 40.30 3a13 s PHE 128 CO 0.09 -0.01 1.10 -1.25 -0.10 0.00 0.00 175.22 175.05 3a13 s PRO 129 N 0.60 2.07 0.37 0.24 0.04 -1.26 -4.70 135.00 132.36 3a13 s PRO 129 Ca 0.01 1.20 0.16 0.00 0.04 0.00 0.00 61.00 62.41 3a13 s PRO 129 Cb -0.14 -1.87 1.06 0.00 0.04 0.00 0.00 34.50 33.59 3a13 s PRO 129 CO 0.02 -1.78 1.73 1.49 0.04 0.00 0.00 177.00 178.49 3a13 h GLU 130 N -1.23 0.41 -0.97 4.56 4.81 -1.81 0.80 114.58 121.14 3a13 h GLU 130 Ca -0.44 -0.02 0.05 0.00 -0.13 0.00 0.00 59.36 58.81 3a13 h GLU 130 Cb 1.24 -0.09 -0.06 0.00 0.63 0.00 0.00 28.75 30.47 3a13 h GLU 130 CO 0.50 0.27 0.63 -0.22 -0.73 0.00 0.00 179.01 179.46 3a13 h LYS 131 N 0.42 1.16 0.07 1.92 3.64 -1.91 -0.86 116.57 121.00 3a13 h LYS 131 Ca 0.66 -0.07 -0.28 0.00 -1.27 0.00 0.00 60.65 59.69 3a13 h LYS 131 Cb 1.54 -0.26 0.02 0.00 -0.41 0.00 0.00 32.23 33.12 3a13 h LYS 131 CO -0.42 0.76 -1.14 -0.07 -2.27 0.00 0.00 179.45 176.32 3a13 h LEU 132 N 1.19 0.79 -0.73 5.20 4.07 -1.21 -3.14 115.31 121.48 3a13 h LEU 132 Ca 0.40 -0.69 0.08 0.00 0.08 0.00 0.00 57.88 57.75 3a13 h LEU 132 Cb 0.06 -0.25 -0.07 0.00 1.08 0.00 0.00 40.66 41.49 3a13 h LEU 132 CO -0.14 1.50 0.39 0.40 -1.08 0.00 0.00 178.44 179.50 3a13 h ILE 133 N 0.28 0.89 0.00 1.22 1.08 -0.97 -0.19 117.51 119.83 3a13 h ILE 133 Ca -0.15 -0.23 0.00 0.00 -0.39 0.00 0.00 64.86 64.09 3a13 h ILE 133 Cb 1.80 0.17 0.00 0.00 -3.07 0.00 0.00 36.82 35.72 3a13 h ILE 133 CO 0.21 0.12 0.00 0.54 -0.69 0.00 0.00 178.15 178.33 3a13 n ARG 134 N -4.81 0.69 0.00 2.37 1.74 -0.36 -1.83 116.66 114.46 3a13 n ARG 134 Ca 0.11 0.01 0.14 0.00 -0.77 0.00 0.00 57.85 57.34 3a13 n ARG 134 Cb 0.25 -1.50 0.65 0.00 -1.02 0.00 0.00 32.46 30.84 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 -1.02 0.69 -4.30 5.56 1.02 -0.08 -4.88 120.64 117.64 3a13 n GLU 135 Ca 0.17 -0.21 -0.24 0.00 -0.02 0.00 0.00 57.16 56.87 3a13 n GLU 135 Cb 0.09 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 29.93 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 -2.45 2.60 -0.05 -0.32 0.08 -0.76 -4.92 117.98 112.17 3a13 s PHE 136 Ca 0.30 -0.33 0.21 0.00 0.12 0.00 0.00 56.93 57.23 3a13 s PHE 136 Cb 0.20 -1.34 -0.32 0.00 -0.57 0.00 0.00 43.02 40.99 3a13 s PHE 136 CO 0.46 0.54 0.42 -0.25 -0.10 0.00 0.00 175.22 176.30 3a13 n ASP 137 N -0.92 0.10 -0.90 1.36 8.00 -1.25 -5.00 116.55 117.94 3a13 n ASP 137 Ca -0.05 0.00 0.10 0.00 0.71 0.00 0.00 54.79 55.55 3a13 n ASP 137 Cb 0.61 1.86 -0.03 0.00 -0.02 0.00 0.00 41.12 43.54 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 1.35 -1.87 3.77 0.44 0.00 -0.47 -4.72 105.19 103.69 3a13 n GLY 138 Ca -0.07 -1.25 -0.40 0.00 0.00 0.00 0.00 46.02 44.29 3a13 n GLY 138 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3a13 s PRO 139 N -1.41 3.86 0.14 1.61 0.02 -1.23 -4.29 135.00 133.72 3a13 s PRO 139 Ca 0.00 2.42 0.04 0.00 0.02 0.00 0.00 61.00 63.48 3a13 s PRO 139 Cb 0.00 -2.77 -0.10 0.00 0.02 0.00 0.00 34.50 31.65 3a13 s PRO 139 CO 0.00 -0.67 1.32 0.00 -0.33 0.00 0.00 177.00 177.32 3a13 h ALA 140 N 2.60 0.42 0.00 -1.55 0.00 -1.87 -3.41 119.26 115.45 3a13 h ALA 140 Ca -0.51 -0.81 -0.23 0.00 0.00 0.00 0.00 54.91 53.37 3a13 h ALA 140 Cb 1.25 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 3a13 h ALA 140 CO 0.62 1.04 -1.67 1.19 0.00 0.00 0.00 179.25 180.44 3a13 n PHE 141 N -3.53 0.00 -2.87 0.00 3.72 -1.26 -4.93 117.46 108.58 3a13 n PHE 141 Ca -0.03 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.42 3a13 n PHE 141 Cb 0.88 -0.63 -0.01 0.00 -0.94 0.00 0.00 39.48 38.78 3a13 n PHE 141 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3a13 n GLY 142 N 1.74 -1.72 0.24 1.37 0.00 -1.26 -0.21 105.19 105.35 3a13 n GLY 142 Ca -0.31 -1.24 0.01 0.00 0.00 0.00 0.00 46.02 44.48 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 -0.35 0.72 -0.30 -0.61 2.04 -1.19 -1.56 117.51 116.27 3a13 h ILE 143 Ca 0.01 -0.13 -0.13 0.00 1.00 0.00 0.00 64.86 65.61 3a13 h ILE 143 Cb 0.34 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 3a13 h ILE 143 CO 0.00 0.07 -0.35 1.05 0.00 0.00 0.00 178.15 178.93 3a13 h GLU 144 N 0.39 0.66 -0.32 2.37 -0.00 -1.84 -0.94 114.58 114.89 3a13 h GLU 144 Ca 0.33 -0.31 -0.15 0.00 -0.00 0.00 0.00 59.36 59.23 3a13 h GLU 144 Cb 0.45 -0.01 -0.01 0.00 -0.00 0.00 0.00 28.75 29.19 3a13 h GLU 144 CO -0.35 0.91 -0.42 0.78 -0.00 0.00 0.00 179.01 179.93 3a13 h GLY 145 N 1.00 0.88 0.46 1.06 0.00 -0.27 -2.23 103.07 103.96 3a13 h GLY 145 Ca 0.06 -0.91 -0.00 0.00 0.00 0.00 0.00 47.33 46.48 3a13 h GLY 145 CO 0.07 0.82 -0.02 -2.08 0.00 0.00 0.00 176.54 175.33 3a13 h VAL 146 N 0.65 1.28 -0.85 4.60 2.07 -1.14 -0.31 116.25 122.55 3a13 h VAL 146 Ca 0.05 -1.19 0.16 0.00 0.82 0.00 0.00 66.70 66.54 3a13 h VAL 146 Cb 0.98 2.05 -0.10 0.00 -1.52 0.00 0.00 31.29 32.70 3a13 h VAL 146 CO 0.09 0.29 0.42 0.03 0.02 0.00 0.00 177.57 178.43 3a13 h ARG 147 N -0.61 0.55 -0.41 1.57 3.08 -1.24 0.15 114.38 117.46 3a13 h ARG 147 Ca -0.01 -0.03 -0.15 0.00 0.07 0.00 0.00 59.98 59.86 3a13 h ARG 147 Cb 0.54 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 3a13 h ARG 147 CO 0.01 0.36 -0.34 -0.22 -1.07 0.00 0.00 179.97 178.72 3a13 h LYS 148 N 0.56 0.94 -0.58 0.04 3.11 -1.33 0.47 116.57 119.79 3a13 h LYS 148 Ca 0.48 -0.47 -0.09 0.00 -2.81 0.00 0.00 60.65 57.76 3a13 h LYS 148 Cb 0.74 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.95 3a13 h LYS 148 CO -0.40 1.13 0.00 1.98 -2.81 0.00 0.00 179.45 179.35 3a13 h MET 149 N 0.78 1.03 -0.01 1.90 4.05 0.33 -2.87 114.93 120.15 3a13 h MET 149 Ca 0.08 -0.33 0.00 0.00 -0.28 0.00 0.00 59.70 59.17 3a13 h MET 149 Cb 0.92 -0.09 0.00 0.00 -0.80 0.00 0.00 31.60 31.63 3a13 h MET 149 CO 0.09 1.02 -0.23 1.28 0.23 0.00 0.00 176.91 179.29 3a13 n LEU 150 N -4.22 0.96 -3.90 3.39 4.77 0.37 -4.90 117.00 113.48 3a13 n LEU 150 Ca 0.02 -0.23 -0.28 0.00 -0.03 0.00 0.00 56.01 55.49 3a13 n LEU 150 Cb 0.34 -0.13 0.02 0.00 -2.33 0.00 0.00 43.42 41.32 3a13 n LEU 150 CO 0.44 0.18 0.02 -0.62 -1.33 0.00 0.00 177.39 176.08 3a13 n GLU 151 N -0.67 -4.93 -4.00 3.23 1.02 0.16 -4.34 120.64 111.11 3a13 n GLU 151 Ca 0.13 0.56 -0.32 0.00 -0.02 0.00 0.00 57.16 57.51 3a13 n GLU 151 Cb 0.34 -5.28 -0.14 0.00 -0.02 0.00 0.00 31.44 26.33 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 2.42 0.08 -3.67 1.01 -0.56 -4.99 121.20 112.04 3a13 s ILE 152 Ca 0.45 -2.02 -0.10 0.00 0.00 0.00 0.00 60.65 58.98 3a13 s ILE 152 Cb -0.23 -2.63 -0.26 0.00 0.01 0.00 0.00 42.46 39.35 3a13 s ILE 152 CO 0.84 -0.39 1.17 0.11 0.00 0.00 0.00 174.94 176.66 3a13 h LYS 153 N 7.74 0.49 0.00 2.79 6.56 -1.93 -3.43 116.57 128.79 3a13 h LYS 153 Ca -0.11 -0.65 0.00 0.00 -1.06 0.00 0.00 60.65 58.83 3a13 h LYS 153 Cb 1.03 0.21 0.00 0.00 -0.57 0.00 0.00 32.23 32.91 3a13 h LYS 153 CO 0.52 1.27 -0.58 -0.25 -2.06 0.00 0.00 179.45 178.35 3a13 n ASP 154 N -3.72 0.71 -4.78 0.86 8.00 -1.26 -5.09 116.55 111.27 3a13 n ASP 154 Ca -0.11 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.08 3a13 n ASP 154 Cb 0.96 0.00 0.07 0.00 -0.02 0.00 0.00 41.12 42.13 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 -1.87 2.56 0.63 -1.24 1.70 -1.26 -4.64 118.95 114.82 3a13 s ARG 155 Ca 0.00 1.20 -0.18 0.00 -0.47 0.00 0.00 55.73 56.28 3a13 s ARG 155 Cb 0.00 -1.93 -0.03 0.00 -0.57 0.00 0.00 34.95 32.42 3a13 s ARG 155 CO 0.00 -1.42 1.01 -2.30 -1.08 0.00 0.00 175.30 171.51 3a13 n PRO 156 N -3.09 0.85 -2.73 3.89 -0.02 -1.14 -4.88 135.00 127.87 3a13 n PRO 156 Ca 0.09 0.34 -0.39 0.00 -2.02 0.00 0.00 63.50 61.52 3a13 n PRO 156 Cb 0.53 -2.23 -0.06 0.00 -0.02 0.00 0.00 33.50 31.72 3a13 n PRO 156 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3a13 s ILE 157 N -1.54 4.05 -0.01 4.25 -1.09 -0.86 -4.91 121.20 121.09 3a13 s ILE 157 Ca 0.77 1.90 0.06 0.00 -2.23 0.00 0.00 60.65 61.15 3a13 s ILE 157 Cb -0.40 -4.15 -0.01 0.00 -1.58 0.00 0.00 42.46 36.32 3a13 s ILE 157 CO 0.46 0.33 -0.18 -0.47 -1.23 0.00 0.00 174.94 173.85 3a13 s TYR 158 N -1.37 1.59 0.22 3.97 5.04 -1.26 0.88 117.35 126.43 3a13 s TYR 158 Ca 0.46 -0.31 -0.23 0.00 -2.44 0.00 0.00 57.07 54.55 3a13 s TYR 158 Cb -0.24 -1.01 0.05 0.00 0.35 0.00 0.00 41.96 41.11 3a13 s TYR 158 CO 0.29 -0.02 0.89 0.20 -1.34 0.00 0.00 175.55 175.57 3a13 s GLY 159 N -0.50 -0.09 -0.02 8.97 0.00 -0.85 0.28 107.32 115.11 3a13 s GLY 159 Ca 0.07 -0.15 0.03 0.00 0.00 0.00 0.00 44.72 44.66 3a13 s GLY 159 CO -0.00 0.22 -0.09 0.14 0.00 0.00 0.00 173.10 173.37 3a13 s VAL 160 N -3.23 0.74 -0.33 1.40 1.01 -0.48 -2.47 120.40 117.05 3a13 s VAL 160 Ca 0.13 -0.36 -0.15 0.00 0.00 0.00 0.00 61.98 61.61 3a13 s VAL 160 Cb -0.03 -0.65 -0.02 0.00 0.00 0.00 0.00 36.38 35.68 3a13 s VAL 160 CO 0.05 0.23 0.34 -0.69 0.00 0.00 0.00 175.10 175.03 3a13 s VAL 161 N 0.08 5.19 0.04 2.92 1.01 -1.26 -4.45 120.40 123.91 3a13 s VAL 161 Ca -0.01 0.11 -0.36 0.00 0.00 0.00 0.00 61.98 61.72 3a13 s VAL 161 Cb -0.07 -3.78 -0.15 0.00 0.00 0.00 0.00 36.38 32.38 3a13 s VAL 161 CO 0.00 -0.03 1.53 -2.65 0.00 0.00 0.00 175.10 173.95 3a13 n PRO 162 N 5.34 1.55 -5.24 2.72 -0.02 -1.26 -4.49 135.00 133.60 3a13 n PRO 162 Ca -0.10 0.56 -0.31 0.00 -2.02 0.00 0.00 63.50 61.63 3a13 n PRO 162 Cb 0.50 -2.27 -0.16 0.00 -0.02 0.00 0.00 33.50 31.55 3a13 n PRO 162 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3a13 s LYS 163 N 1.44 2.37 0.74 -0.52 -0.14 -1.26 -3.98 119.74 118.40 3a13 s LYS 163 Ca 0.86 -0.89 -0.15 0.00 -1.36 0.00 0.00 55.97 54.43 3a13 s LYS 163 Cb -0.86 -2.14 0.04 0.00 -1.68 0.00 0.00 37.83 33.19 3a13 s LYS 163 CO 0.47 0.48 1.20 -1.25 -0.76 0.00 0.00 175.35 175.49 3a13 s PRO 164 N -0.40 2.09 0.15 -1.68 0.04 -1.26 -5.01 135.00 128.93 3a13 s PRO 164 Ca 0.04 1.73 -0.20 0.00 0.04 0.00 0.00 61.00 62.61 3a13 s PRO 164 Cb -0.12 -1.83 0.04 0.00 0.04 0.00 0.00 34.50 32.63 3a13 s PRO 164 CO 0.01 -1.87 1.66 0.87 0.04 0.00 0.00 177.00 177.71 3a13 h LYS 165 N -0.39 -0.11 -4.59 4.56 1.57 -1.96 -3.44 116.57 112.21 3a13 h LYS 165 Ca -0.47 0.01 -0.24 0.00 -1.87 0.00 0.00 60.65 58.08 3a13 h LYS 165 Cb 1.29 0.03 -0.15 0.00 0.08 0.00 0.00 32.23 33.48 3a13 h LYS 165 CO 0.49 -0.07 -0.64 0.14 -0.57 0.00 0.00 179.45 178.80 3a13 s VAL 166 N -6.16 0.26 0.00 0.50 -7.23 -1.26 -4.66 120.40 101.85 3a13 s VAL 166 Ca -0.14 -1.95 0.00 0.00 -1.81 0.00 0.00 61.98 58.08 3a13 s VAL 166 Cb 0.12 -2.22 0.00 0.00 0.56 0.00 0.00 36.38 34.85 3a13 s VAL 166 CO 0.69 -0.32 0.00 0.61 -0.31 0.00 0.00 175.10 175.77 3a13 n GLY 167 N -0.20 0.90 3.74 2.32 0.00 -1.26 -5.10 105.19 105.59 3a13 n GLY 167 Ca -0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.75 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 2.95 0.41 1.61 -0.85 -1.26 -5.09 117.35 113.13 3a13 s TYR 168 Ca 0.00 -0.13 0.04 0.00 -0.52 0.00 0.00 57.07 56.45 3a13 s TYR 168 Cb 0.00 -1.36 -0.00 0.00 0.38 0.00 0.00 41.96 40.98 3a13 s TYR 168 CO 0.00 0.55 0.59 -1.54 -1.52 0.00 0.00 175.55 173.63 3a13 s SER 169 N -3.52 5.82 0.27 -0.18 1.04 -1.26 -4.62 113.70 111.24 3a13 s SER 169 Ca 0.31 0.01 -0.05 0.00 0.48 0.00 0.00 55.95 56.70 3a13 s SER 169 Cb -0.08 -1.27 0.33 0.00 0.10 0.00 0.00 66.02 65.09 3a13 s SER 169 CO 0.22 -0.64 1.94 -0.65 0.98 0.00 0.00 173.24 175.09 3a13 h PRO 170 N 0.58 1.24 -0.62 4.02 0.11 -1.97 -0.63 132.00 134.74 3a13 h PRO 170 Ca -0.45 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 65.57 3a13 h PRO 170 Cb 1.26 -0.28 -0.03 0.00 0.11 0.00 0.00 31.00 32.06 3a13 h PRO 170 CO 0.54 0.82 0.34 0.93 -0.21 0.00 0.00 178.00 180.42 3a13 h GLU 171 N 1.28 0.86 -0.41 1.05 3.07 -1.94 0.77 114.58 119.26 3a13 h GLU 171 Ca 0.35 -0.10 -0.10 0.00 -0.50 0.00 0.00 59.36 59.01 3a13 h GLU 171 Cb -0.15 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 27.58 3a13 h GLU 171 CO -0.08 0.65 -0.13 0.93 -1.40 0.00 0.00 179.01 178.98 3a13 h GLU 172 N 0.84 0.81 -0.80 2.33 5.08 -1.90 -2.96 114.58 117.98 3a13 h GLU 172 Ca 0.22 -0.33 0.07 0.00 -1.00 0.00 0.00 59.36 58.32 3a13 h GLU 172 Cb 0.04 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.19 3a13 h GLU 172 CO -0.04 0.95 0.48 0.35 -1.00 0.00 0.00 179.01 179.75 3a13 h PHE 173 N 0.63 0.88 -0.75 4.33 3.57 -0.88 -2.72 116.94 122.00 3a13 h PHE 173 Ca 0.10 0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.72 3a13 h PHE 173 Cb 0.67 -0.28 -0.07 0.00 2.79 0.00 0.00 35.95 39.06 3a13 h PHE 173 CO 0.05 0.43 0.40 1.49 -2.23 0.00 0.00 178.31 178.45 3a13 h GLU 174 N 0.86 0.67 0.02 1.11 4.81 -0.67 0.17 114.58 121.55 3a13 h GLU 174 Ca 0.36 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.55 3a13 h GLU 174 Cb 0.21 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.44 3a13 h GLU 174 CO -0.19 0.44 -0.01 -0.22 -0.73 0.00 0.00 179.01 178.30 3a13 h LYS 175 N 0.69 -0.03 -0.08 1.92 1.63 -1.50 -2.71 116.57 116.48 3a13 h LYS 175 Ca 0.36 0.00 0.03 0.00 -0.85 0.00 0.00 60.65 60.20 3a13 h LYS 175 Cb 0.35 0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 31.94 3a13 h LYS 175 CO -0.25 0.40 -0.14 1.25 -3.45 0.00 0.00 179.45 177.25 3a13 h LEU 176 N -0.47 -0.44 -0.55 5.20 5.85 -1.14 -1.55 115.31 122.22 3a13 h LEU 176 Ca -0.00 0.08 0.07 0.00 0.84 0.00 0.00 57.88 58.86 3a13 h LEU 176 Cb 0.44 0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.62 3a13 h LEU 176 CO 0.01 -0.19 0.23 0.00 -0.34 0.00 0.00 178.44 178.14 3a13 h ALA 177 N 0.81 0.70 -0.21 1.25 0.00 -0.75 -0.85 119.26 120.21 3a13 h ALA 177 Ca 0.07 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.05 3a13 h ALA 177 Cb 0.31 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3a13 h ALA 177 CO -0.20 -0.15 0.09 -0.92 0.00 0.00 0.00 179.25 178.07 3a13 h TYR 178 N 0.44 0.17 0.17 0.00 3.20 -1.11 -1.31 116.97 118.53 3a13 h TYR 178 Ca 0.26 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.13 3a13 h TYR 178 Cb 0.25 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.48 3a13 h TYR 178 CO -0.14 0.10 -0.08 -0.44 -1.64 0.00 0.00 178.16 175.96 3a13 h ASP 179 N 0.21 -0.19 0.37 -2.11 3.32 -0.78 -0.77 116.42 116.46 3a13 h ASP 179 Ca 0.09 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 3a13 h ASP 179 Cb 0.03 0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.63 3a13 h ASP 179 CO -0.07 -0.11 -0.18 -0.07 -1.72 0.00 0.00 179.24 177.10 3a13 h LEU 180 N -0.26 -0.42 -1.54 1.55 3.38 -1.10 -1.60 115.31 115.33 3a13 h LEU 180 Ca -0.02 -0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.00 3a13 h LEU 180 Cb 0.20 0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 3a13 h LEU 180 CO 0.04 -0.25 0.41 -0.07 0.09 0.00 0.00 178.44 178.66 3a13 h LEU 181 N -0.55 0.48 -0.61 1.67 4.07 -1.26 -0.64 115.31 118.47 3a13 h LEU 181 Ca -0.05 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.91 3a13 h LEU 181 Cb 0.42 -0.10 -0.00 0.00 1.08 0.00 0.00 40.66 42.06 3a13 h LEU 181 CO 0.08 0.30 -0.04 0.28 -1.08 0.00 0.00 178.44 177.99 3a13 h SER 182 N 0.54 0.00 -0.33 -0.43 0.02 -0.78 -3.25 113.55 109.32 3a13 h SER 182 Ca 0.27 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 61.10 3a13 h SER 182 Cb 0.37 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 62.84 3a13 h SER 182 CO -0.08 0.04 -0.03 0.59 -1.14 0.00 0.00 176.83 176.21 3a13 n ASN 183 N -3.12 2.95 0.00 3.07 3.02 -0.32 -4.95 115.26 115.90 3a13 n ASN 183 Ca 0.02 -3.51 0.00 0.00 -0.03 0.00 0.00 54.58 51.07 3a13 n ASN 183 Cb 0.45 -0.61 0.00 0.00 -0.61 0.00 0.00 39.78 39.02 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 -0.94 1.93 3.75 7.41 0.00 -1.05 -3.06 105.19 113.23 3a13 n GLY 184 Ca 0.30 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.75 3.72 0.07 4.61 0.00 -0.76 -4.90 121.76 122.74 3a13 s ALA 185 Ca 0.00 1.56 0.03 0.00 0.00 0.00 0.00 51.96 53.55 3a13 s ALA 185 Cb 0.00 -3.64 -0.24 0.00 0.00 0.00 0.00 23.12 19.24 3a13 s ALA 185 CO 0.00 -0.98 1.09 -0.44 0.00 0.00 0.00 175.76 175.43 3a13 h ASP 186 N 4.65 0.18 -5.05 0.00 3.32 -0.51 -3.40 116.42 115.60 3a13 h ASP 186 Ca -0.47 -0.21 -0.07 0.00 0.02 0.00 0.00 57.03 56.30 3a13 h ASP 186 Cb 1.22 -0.06 -0.15 0.00 0.22 0.00 0.00 39.33 40.56 3a13 h ASP 186 CO 0.77 1.17 -0.08 -0.72 -1.72 0.00 0.00 179.24 178.67 3a13 s TYR 187 N -2.66 -0.25 0.00 4.55 -0.85 -1.17 -1.96 117.35 115.00 3a13 s TYR 187 Ca -0.03 0.11 0.00 0.00 -0.52 0.00 0.00 57.07 56.63 3a13 s TYR 187 Cb 0.08 0.25 0.00 0.00 0.38 0.00 0.00 41.96 42.67 3a13 s TYR 187 CO 0.84 -0.63 0.00 -1.33 -1.52 0.00 0.00 175.55 172.91 3a13 n MET 188 N 0.20 1.63 -4.67 -3.49 2.81 -1.04 -1.38 117.12 111.18 3a13 n MET 188 Ca -0.17 0.00 -0.31 0.00 -1.81 0.00 0.00 57.70 55.40 3a13 n MET 188 Cb 0.61 0.00 -0.12 0.00 -0.71 0.00 0.00 33.22 33.00 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 -1.00 3.93 0.56 7.83 1.01 -0.71 -1.03 116.67 127.26 3a13 s ASP 190 Ca 0.00 -0.36 -0.19 0.00 0.71 0.00 0.00 52.55 52.71 3a13 s ASP 190 Cb 0.00 -0.70 -0.05 0.00 1.01 0.00 0.00 42.92 43.18 3a13 s ASP 190 CO 0.00 0.27 1.18 -0.62 0.21 0.00 0.00 175.17 176.21 3a13 s ASP 191 N -1.33 5.50 0.61 0.27 -1.08 -1.26 -4.85 116.67 114.53 3a13 s ASP 191 Ca 0.15 2.30 0.38 0.00 -0.52 0.00 0.00 52.55 54.86 3a13 s ASP 191 Cb -0.11 -2.59 2.01 0.00 -1.46 0.00 0.00 42.92 40.77 3a13 s ASP 191 CO 0.05 -1.38 2.24 1.05 0.52 0.00 0.00 175.17 177.65 3a13 h GLU 192 N 1.13 0.00 -0.03 4.34 9.09 -2.00 0.44 114.58 127.55 3a13 h GLU 192 Ca -0.50 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.91 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 0.56 0.02 -0.03 0.27 0.05 0.00 0.00 179.01 179.89 3a13 n ASN 193 N -3.28 2.64 -4.58 3.06 6.94 -1.26 -4.85 115.26 113.93 3a13 n ASN 193 Ca -0.02 -1.87 -0.42 0.00 -0.02 0.00 0.00 54.58 52.25 3a13 n ASN 193 Cb 0.14 0.02 -0.05 0.00 -2.36 0.00 0.00 39.78 37.53 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 -2.03 4.14 0.00 -4.53 2.96 0.14 -4.94 118.68 114.42 3a13 s LEU 194 Ca 0.29 0.32 0.00 0.00 -0.22 0.00 0.00 54.13 54.52 3a13 s LEU 194 Cb 0.20 -3.02 0.00 0.00 0.50 0.00 0.00 46.19 43.87 3a13 s LEU 194 CO 0.32 -0.75 0.00 0.35 -1.32 0.00 0.00 176.35 174.95 3a13 n THR 195 N 5.83 0.00 -2.96 3.68 -2.24 -1.26 -4.70 114.28 112.63 3a13 n THR 195 Ca 0.03 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.64 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 1.62 -4.76 3.42 2.88 -1.26 -3.98 113.62 111.54 3a13 n SER 196 Ca 0.00 -3.03 -0.29 0.00 -1.33 0.00 0.00 58.87 54.22 3a13 n SER 196 Cb 0.00 -0.58 0.13 0.00 -0.75 0.00 0.00 64.21 63.01 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 -2.81 1.25 0.33 -1.46 0.04 -1.23 -4.73 135.00 126.38 3a13 s PRO 197 Ca 0.37 0.21 0.05 0.00 0.04 0.00 0.00 61.00 61.68 3a13 s PRO 197 Cb 0.38 -1.86 0.70 0.00 0.04 0.00 0.00 34.50 33.76 3a13 s PRO 197 CO -0.06 -2.11 1.88 0.11 0.04 0.00 0.00 177.00 176.87 3a13 h TRP 198 N -1.43 0.93 0.00 0.56 5.08 -2.01 -1.32 115.95 117.75 3a13 h TRP 198 Ca -0.49 0.03 0.00 0.00 1.08 0.00 0.00 58.89 59.50 3a13 h TRP 198 Cb 1.33 -0.30 0.00 0.00 -3.00 0.00 0.00 29.16 27.19 3a13 h TRP 198 CO 0.18 0.40 0.00 2.48 -1.28 0.00 0.00 178.44 180.22 3a13 n TYR 199 N -4.55 0.00 -2.86 0.12 0.18 -1.26 -4.44 117.16 104.36 3a13 n TYR 199 Ca 0.16 0.00 -0.02 0.00 1.88 0.00 0.00 57.90 59.92 3a13 n TYR 199 Cb 0.36 -0.35 0.01 0.00 -0.38 0.00 0.00 39.34 38.97 3a13 n TYR 199 CO 0.00 0.00 0.00 1.21 -2.08 0.00 0.00 176.86 175.99 3a13 s ASN 200 N -2.71 -1.24 0.25 9.48 3.84 -0.51 -4.09 114.94 119.95 3a13 s ASN 200 Ca 0.23 -1.22 -0.30 0.00 0.21 0.00 0.00 52.86 51.79 3a13 s ASN 200 Cb 0.19 1.62 -0.09 0.00 -0.55 0.00 0.00 41.25 42.42 3a13 s ASN 200 CO 0.46 -0.07 1.21 -0.13 -2.79 0.00 0.00 177.10 175.78 3a13 s ARG 201 N 1.19 4.49 0.21 0.43 1.81 -1.16 -3.53 118.95 122.40 3a13 s ARG 201 Ca 0.25 1.96 -0.11 0.00 -1.72 0.00 0.00 55.73 56.11 3a13 s ARG 201 Cb 0.01 -3.18 0.28 0.00 -0.45 0.00 0.00 34.95 31.61 3a13 s ARG 201 CO -0.07 -0.04 1.69 0.35 -0.68 0.00 0.00 175.30 176.55 3a13 h PHE 202 N 4.40 0.08 -0.20 -0.53 3.57 -1.85 -1.63 116.94 120.77 3a13 h PHE 202 Ca -0.46 0.04 -0.09 0.00 3.53 0.00 0.00 57.97 60.99 3a13 h PHE 202 Cb 1.22 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 40.00 3a13 h PHE 202 CO 0.60 -0.10 -0.27 0.93 -2.23 0.00 0.00 178.31 177.24 3a13 h GLU 203 N 0.18 0.39 -0.24 1.11 4.39 -1.93 -0.38 114.58 118.09 3a13 h GLU 203 Ca 0.31 -0.15 -0.12 0.00 0.34 0.00 0.00 59.36 59.75 3a13 h GLU 203 Cb 0.48 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.11 3a13 h GLU 203 CO -0.45 0.63 -0.30 0.93 -1.16 0.00 0.00 179.01 178.66 3a13 h GLU 204 N 0.34 0.63 -0.52 2.33 5.08 -1.83 -1.80 114.58 118.82 3a13 h GLU 204 Ca 0.05 -0.35 0.05 0.00 -1.00 0.00 0.00 59.36 58.11 3a13 h GLU 204 Cb 0.66 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.88 3a13 h GLU 204 CO 0.05 0.96 0.25 -0.09 -1.00 0.00 0.00 179.01 179.18 3a13 h ARG 205 N 0.34 0.47 -0.29 2.33 2.43 -1.05 -2.08 114.38 116.53 3a13 h ARG 205 Ca 0.03 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 3a13 h ARG 205 Cb 0.87 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.30 3a13 h ARG 205 CO 0.07 0.31 0.11 0.00 -1.51 0.00 0.00 179.97 178.95 3a13 h ALA 206 N 1.29 0.38 -0.86 2.80 0.00 -0.96 -0.82 119.26 121.10 3a13 h ALA 206 Ca 0.23 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3a13 h ALA 206 Cb 0.16 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 3a13 h ALA 206 CO -0.17 -0.00 0.55 0.93 0.00 0.00 0.00 179.25 180.55 3a13 h GLU 207 N 0.32 1.15 -0.39 0.00 4.39 -1.23 -0.72 114.58 118.10 3a13 h GLU 207 Ca 0.10 -0.08 -0.03 0.00 0.34 0.00 0.00 59.36 59.68 3a13 h GLU 207 Cb 0.21 -0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 28.59 3a13 h GLU 207 CO -0.01 0.78 0.14 0.82 -1.16 0.00 0.00 179.01 179.58 3a13 h ILE 208 N 1.17 1.20 -0.28 3.13 2.04 -1.06 -2.82 117.51 120.89 3a13 h ILE 208 Ca 0.31 -0.65 -0.19 0.00 1.00 0.00 0.00 64.86 65.33 3a13 h ILE 208 Cb -0.10 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 36.89 3a13 h ILE 208 CO -0.06 0.23 -0.55 0.24 0.00 0.00 0.00 178.15 178.01 3a13 h MET 209 N 0.48 0.86 -0.88 2.37 2.86 -0.82 -0.02 114.93 119.79 3a13 h MET 209 Ca 0.13 -0.56 0.10 0.00 -2.06 0.00 0.00 59.70 57.31 3a13 h MET 209 Cb 0.22 0.07 -0.08 0.00 0.06 0.00 0.00 31.60 31.88 3a13 h MET 209 CO -0.01 1.19 0.52 0.00 1.06 0.00 0.00 176.91 179.67 3a13 h ALA 210 N 0.67 1.28 -0.06 6.32 0.00 -1.17 0.26 119.26 126.55 3a13 h ALA 210 Ca 0.01 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3a13 h ALA 210 Cb 1.16 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 3a13 h ALA 210 CO 0.12 0.14 -0.06 -0.22 0.00 0.00 0.00 179.25 179.23 3a13 h LYS 211 N 0.85 0.14 -0.16 0.00 3.64 -1.22 -2.79 116.57 117.03 3a13 h LYS 211 Ca 0.43 -0.08 -0.09 0.00 -1.27 0.00 0.00 60.65 59.64 3a13 h LYS 211 Cb 0.40 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 3a13 h LYS 211 CO -0.25 0.61 -0.28 0.82 -2.27 0.00 0.00 179.45 178.07 3a13 h ILE 212 N -0.32 1.26 -0.36 2.00 2.04 -0.76 -2.37 117.51 119.00 3a13 h ILE 212 Ca 0.01 -1.23 -0.04 0.00 1.00 0.00 0.00 64.86 64.59 3a13 h ILE 212 Cb 0.59 1.46 -0.01 0.00 -0.74 0.00 0.00 36.82 38.11 3a13 h ILE 212 CO 0.02 0.38 0.07 0.40 0.00 0.00 0.00 178.15 179.01 3a13 h ILE 213 N 0.26 1.23 -0.86 -0.67 2.04 -0.50 -0.53 117.51 118.48 3a13 h ILE 213 Ca 0.04 -0.81 -0.02 0.00 1.00 0.00 0.00 64.86 65.07 3a13 h ILE 213 Cb 0.64 1.07 -0.04 0.00 -0.74 0.00 0.00 36.82 37.75 3a13 h ILE 213 CO 0.05 0.27 0.45 0.44 0.00 0.00 0.00 178.15 179.36 3a13 h ASP 214 N 0.44 1.10 0.54 1.72 3.32 -1.37 -0.67 116.42 121.50 3a13 h ASP 214 Ca 0.11 -0.11 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 3a13 h ASP 214 Cb 0.34 -0.28 0.01 0.00 0.22 0.00 0.00 39.33 39.61 3a13 h ASP 214 CO 0.00 0.90 -0.26 0.50 -1.72 0.00 0.00 179.24 178.67 3a13 h LYS 215 N 1.22 -0.70 -0.43 3.56 3.64 -1.13 0.76 116.57 123.50 3a13 h LYS 215 Ca 0.30 0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.72 3a13 h LYS 215 Cb 0.07 0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 3a13 h LYS 215 CO -0.04 -0.40 0.21 0.28 -2.27 0.00 0.00 179.45 177.23 3a13 h VAL 216 N -0.92 1.14 -0.35 2.00 2.07 -1.06 0.18 116.25 119.32 3a13 h VAL 216 Ca -0.07 -0.40 -0.14 0.00 0.82 0.00 0.00 66.70 66.91 3a13 h VAL 216 Cb 0.62 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 3a13 h VAL 216 CO 0.12 0.16 -0.33 -0.33 0.02 0.00 0.00 177.57 177.21 3a13 h GLU 217 N 0.60 0.84 -0.63 1.57 5.08 -1.03 0.22 114.58 121.23 3a13 h GLU 217 Ca 0.15 -0.44 -0.01 0.00 -1.00 0.00 0.00 59.36 58.06 3a13 h GLU 217 Cb 0.05 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 3a13 h GLU 217 CO -0.02 1.08 0.34 -0.97 -1.00 0.00 0.00 179.01 178.44 3a13 h ASN 218 N 0.63 0.79 0.83 1.42 -0.73 -0.11 -0.23 115.58 118.18 3a13 h ASN 218 Ca 0.06 -0.10 -0.24 0.00 1.87 0.00 0.00 56.30 57.89 3a13 h ASN 218 Cb 0.92 -0.20 -0.02 0.00 0.27 0.00 0.00 38.32 39.28 3a13 h ASN 218 CO 0.08 0.66 -1.16 -0.33 -0.37 0.00 0.00 177.43 176.31 3a13 h GLU 219 N 0.86 0.07 0.00 6.67 5.08 -0.53 -3.36 114.58 123.37 3a13 h GLU 219 Ca 0.22 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3a13 h GLU 219 Cb 0.05 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.35 3a13 h GLU 219 CO -0.03 1.00 -1.95 0.25 -1.00 0.00 0.00 179.01 177.27 3a13 n THR 220 N -3.36 0.00 -0.93 1.13 -2.24 0.75 -4.97 114.28 104.66 3a13 n THR 220 Ca -0.05 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 3a13 n THR 220 Cb 0.98 0.04 0.00 0.00 -2.10 0.00 0.00 70.33 69.25 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 1.29 0.30 3.95 3.38 0.00 -0.10 -5.01 105.19 109.00 3a13 n GLY 221 Ca -0.04 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.91 2.97 -0.12 1.61 2.02 -1.26 -5.05 118.70 117.98 3a13 s GLU 222 Ca 0.00 -1.12 -0.07 0.00 0.02 0.00 0.00 54.97 53.80 3a13 s GLU 222 Cb 0.00 -2.70 -0.04 0.00 0.10 0.00 0.00 34.13 31.49 3a13 s GLU 222 CO 0.00 0.06 0.15 0.15 0.02 0.00 0.00 175.26 175.64 3a13 s LYS 223 N -4.12 3.48 0.18 1.61 -0.14 -1.26 -4.26 119.74 115.22 3a13 s LYS 223 Ca 0.44 -0.11 0.05 0.00 -1.36 0.00 0.00 55.97 55.00 3a13 s LYS 223 Cb -0.08 -3.20 -0.05 0.00 -1.68 0.00 0.00 37.83 32.82 3a13 s LYS 223 CO 0.30 0.77 -0.09 0.15 -0.76 0.00 0.00 175.35 175.72 3a13 s LYS 224 N -1.00 1.21 0.34 1.68 -0.14 -1.26 -4.92 119.74 115.63 3a13 s LYS 224 Ca 0.15 -1.55 -0.06 0.00 -1.36 0.00 0.00 55.97 53.15 3a13 s LYS 224 Cb -0.12 -0.76 0.01 0.00 -1.68 0.00 0.00 37.83 35.28 3a13 s LYS 224 CO 0.04 0.06 0.53 -0.08 -0.76 0.00 0.00 175.35 175.14 3a13 s THR 225 N -3.25 0.00 -0.07 2.17 -1.32 -0.83 -5.02 115.64 107.32 3a13 s THR 225 Ca 0.21 -1.47 -0.03 0.00 -1.21 0.00 0.00 61.69 59.19 3a13 s THR 225 Cb 0.03 -2.62 0.04 0.00 -1.51 0.00 0.00 72.50 68.44 3a13 s THR 225 CO 0.04 0.00 0.12 0.86 -2.21 0.00 0.00 174.62 173.43 3a13 s TRP 226 N -3.07 -0.08 -0.77 9.09 -0.00 -1.26 -2.50 118.94 120.35 3a13 s TRP 226 Ca 0.27 0.47 -0.23 0.00 -0.00 0.00 0.00 56.10 56.60 3a13 s TRP 226 Cb -0.01 -0.35 0.06 0.00 -0.00 0.00 0.00 33.47 33.17 3a13 s TRP 226 CO 0.17 -0.24 1.15 -0.06 -0.00 0.00 0.00 176.95 177.97 3a13 s PHE 227 N 2.24 2.60 -0.23 5.86 0.08 -0.20 -4.16 117.98 124.18 3a13 s PHE 227 Ca 0.04 -0.57 -0.20 0.00 0.12 0.00 0.00 56.93 56.32 3a13 s PHE 227 Cb -0.12 -4.45 -0.02 0.00 -0.57 0.00 0.00 43.02 37.86 3a13 s PHE 227 CO -0.05 -1.79 0.61 0.00 -0.10 0.00 0.00 175.22 173.89 3a13 s ALA 228 N 4.48 3.58 -0.59 5.36 0.00 -1.25 -1.73 121.76 131.61 3a13 s ALA 228 Ca 0.31 -0.40 -0.28 0.00 0.00 0.00 0.00 51.96 51.59 3a13 s ALA 228 Cb -0.10 -2.98 0.03 0.00 0.00 0.00 0.00 23.12 20.07 3a13 s ALA 228 CO 0.06 -0.70 1.18 1.21 0.00 0.00 0.00 175.76 177.51 3a13 s ASN 229 N 1.37 6.41 0.00 0.00 2.47 -1.26 0.81 114.94 124.74 3a13 s ASN 229 Ca 0.26 0.01 0.27 0.00 0.42 0.00 0.00 52.86 53.82 3a13 s ASN 229 Cb -0.16 -2.54 0.78 0.00 -1.45 0.00 0.00 41.25 37.89 3a13 s ASN 229 CO 0.09 -1.49 1.59 2.30 -3.72 0.00 0.00 177.10 175.87 3a13 n ILE 230 N 6.60 0.00 -1.67 -5.21 -5.35 -0.56 -4.76 119.36 108.41 3a13 n ILE 230 Ca 0.07 -0.09 -0.61 0.00 -0.27 0.00 0.00 62.75 61.86 3a13 n ILE 230 Cb 0.49 0.27 -0.08 0.00 -1.74 0.00 0.00 39.64 38.58 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 -0.89 0.10 -1.97 7.28 -1.04 -1.26 -4.30 114.28 112.20 3a13 n THR 231 Ca 0.11 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.10 3a13 n THR 231 Cb 0.33 -0.70 0.00 0.00 -1.82 0.00 0.00 70.33 68.15 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 3.79 0.00 -0.95 2.41 0.00 -1.26 -4.88 120.51 119.62 3a13 n ALA 232 Ca 0.26 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.38 3a13 n ALA 232 Cb 0.06 0.00 0.14 0.00 0.00 0.00 0.00 19.45 19.65 3a13 n ALA 232 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3a13 s ASP 233 N -2.60 3.42 0.16 0.00 1.01 -1.26 -4.70 116.67 112.70 3a13 s ASP 233 Ca 0.00 2.23 -0.23 0.00 0.71 0.00 0.00 52.55 55.25 3a13 s ASP 233 Cb 0.00 -2.57 0.05 0.00 1.01 0.00 0.00 42.92 41.41 3a13 s ASP 233 CO 0.00 -2.77 1.60 0.25 0.21 0.00 0.00 175.17 174.45 3a13 h LEU 234 N -1.32 -1.12 -0.98 1.23 7.12 -1.99 -0.91 115.31 117.34 3a13 h LEU 234 Ca -0.45 0.19 -0.00 0.00 0.13 0.00 0.00 57.88 57.76 3a13 h LEU 234 Cb 1.28 0.52 -0.05 0.00 -0.53 0.00 0.00 40.66 41.88 3a13 h LEU 234 CO 0.45 -0.33 0.58 -0.07 -0.13 0.00 0.00 178.44 178.95 3a13 h LEU 235 N -0.26 1.13 -0.83 2.25 3.38 -2.00 -0.77 115.31 118.21 3a13 h LEU 235 Ca 0.17 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 58.00 3a13 h LEU 235 Cb 0.54 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 3a13 h LEU 235 CO -0.54 0.86 -0.01 -0.33 0.09 0.00 0.00 178.44 178.51 3a13 h GLU 236 N 1.31 0.86 -0.64 1.13 3.07 -1.77 -1.36 114.58 117.17 3a13 h GLU 236 Ca 0.34 -0.25 -0.01 0.00 -0.50 0.00 0.00 59.36 58.95 3a13 h GLU 236 Cb -0.07 -0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 27.71 3a13 h GLU 236 CO -0.07 0.87 0.36 0.52 -1.40 0.00 0.00 179.01 179.29 3a13 h MET 237 N 0.80 0.89 -0.46 2.33 2.86 -0.06 0.21 114.93 121.50 3a13 h MET 237 Ca 0.15 -0.10 0.02 0.00 -2.06 0.00 0.00 59.70 57.71 3a13 h MET 237 Cb 0.49 -0.18 -0.03 0.00 0.06 0.00 0.00 31.60 31.95 3a13 h MET 237 CO 0.02 0.66 0.28 0.93 1.06 0.00 0.00 176.91 179.87 3a13 h GLU 238 N 0.87 0.55 -0.42 1.72 5.08 -0.81 0.63 114.58 122.21 3a13 h GLU 238 Ca 0.23 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.59 3a13 h GLU 238 Cb 0.02 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.11 3a13 h GLU 238 CO -0.04 0.37 0.21 1.96 -1.00 0.00 0.00 179.01 180.51 3a13 h GLN 239 N 0.57 0.42 -0.20 2.33 4.20 -0.77 -1.49 115.11 120.17 3a13 h GLN 239 Ca 0.18 -0.03 -0.15 0.00 0.06 0.00 0.00 58.65 58.71 3a13 h GLN 239 Cb -0.01 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 3a13 h GLN 239 CO -0.07 0.28 -0.50 0.00 -0.67 0.00 0.00 178.83 177.87 3a13 h ARG 240 N 0.43 0.54 -0.72 1.46 3.08 -0.43 -0.48 114.38 118.27 3a13 h ARG 240 Ca 0.18 -0.32 0.04 0.00 0.07 0.00 0.00 59.98 59.95 3a13 h ARG 240 Cb 0.08 0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.11 3a13 h ARG 240 CO -0.12 0.92 0.44 -0.07 -1.07 0.00 0.00 179.97 180.06 3a13 h LEU 241 N 0.43 0.70 -0.79 3.04 3.38 -0.60 -2.07 115.31 119.39 3a13 h LEU 241 Ca 0.02 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 3a13 h LEU 241 Cb 1.03 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 3a13 h LEU 241 CO 0.09 0.47 -0.03 -0.08 0.09 0.00 0.00 178.44 178.99 3a13 h GLU 242 N 0.83 0.88 -0.72 1.13 4.81 -0.57 -1.98 114.58 118.96 3a13 h GLU 242 Ca 0.30 -0.27 0.04 0.00 -0.13 0.00 0.00 59.36 59.30 3a13 h GLU 242 Cb 0.08 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 29.33 3a13 h GLU 242 CO -0.14 0.90 0.44 0.28 -0.73 0.00 0.00 179.01 179.76 3a13 h VAL 243 N 0.81 1.07 -0.25 0.32 2.07 -0.76 -0.98 116.25 118.53 3a13 h VAL 243 Ca 0.15 -0.29 -0.04 0.00 0.82 0.00 0.00 66.70 67.34 3a13 h VAL 243 Cb 0.52 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 3a13 h VAL 243 CO 0.03 0.16 0.01 -0.07 0.02 0.00 0.00 177.57 177.71 3a13 h LEU 244 N 0.85 0.43 -0.33 2.57 3.38 -0.99 -2.72 115.31 118.50 3a13 h LEU 244 Ca 0.30 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3a13 h LEU 244 Cb 0.07 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3a13 h LEU 244 CO -0.13 0.62 0.18 0.00 0.09 0.00 0.00 178.44 179.21 3a13 h ALA 245 N 0.82 0.42 -0.22 1.53 0.00 -1.19 -1.43 119.26 119.19 3a13 h ALA 245 Ca 0.07 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.93 3a13 h ALA 245 Cb 0.40 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3a13 h ALA 245 CO 0.01 -0.05 0.15 -0.44 0.00 0.00 0.00 179.25 178.92 3a13 h ASP 246 N 0.41 0.17 0.36 0.00 3.32 -1.15 0.49 116.42 120.02 3a13 h ASP 246 Ca 0.12 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 3a13 h ASP 246 Cb 0.05 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.57 3a13 h ASP 246 CO -0.02 0.12 -0.10 0.18 -1.72 0.00 0.00 179.24 177.70 3a13 n LEU 247 N -4.50 0.44 -1.25 1.55 4.32 -0.94 -4.92 117.00 111.70 3a13 n LEU 247 Ca 0.01 0.02 -0.14 0.00 -0.02 0.00 0.00 56.01 55.88 3a13 n LEU 247 Cb 0.15 -0.18 -0.04 0.00 -1.62 0.00 0.00 43.42 41.73 3a13 n LEU 247 CO 0.35 0.08 -0.15 0.61 -1.22 0.00 0.00 177.39 177.06 3a13 n GLY 248 N 1.27 0.73 3.80 -0.72 0.00 0.16 -4.95 105.19 105.48 3a13 n GLY 248 Ca 0.15 -0.36 -0.29 0.00 0.00 0.00 0.00 46.02 45.51 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 -3.43 1.97 0.00 0.99 1.43 -0.58 -5.03 118.68 114.04 3a13 s LEU 249 Ca 0.00 0.68 0.00 0.00 -1.03 0.00 0.00 54.13 53.78 3a13 s LEU 249 Cb 0.00 -2.81 0.00 0.00 0.03 0.00 0.00 46.19 43.41 3a13 s LEU 249 CO 0.00 -2.89 0.00 0.29 0.23 0.00 0.00 176.35 173.98 3a13 n LYS 250 N -3.94 1.31 -4.52 1.70 5.02 -1.26 -4.73 118.16 111.73 3a13 n LYS 250 Ca 0.11 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 56.16 3a13 n LYS 250 Cb 0.59 -0.90 -0.14 0.00 -0.02 0.00 0.00 35.03 34.57 3a13 n LYS 250 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3a13 s HIS 251 N -1.61 1.63 -0.07 2.13 3.76 -1.26 -0.40 115.29 119.47 3a13 s HIS 251 Ca 0.00 -0.37 0.04 0.00 -0.15 0.00 0.00 55.06 54.57 3a13 s HIS 251 Cb 0.00 -0.96 0.00 0.00 1.11 0.00 0.00 32.58 32.73 3a13 s HIS 251 CO 0.00 0.08 -0.18 0.00 -0.85 0.00 0.00 174.74 173.79 3a13 s ALA 252 N -0.85 1.71 -0.05 -1.40 0.00 0.96 -3.92 121.76 118.21 3a13 s ALA 252 Ca 0.05 -0.72 -0.04 0.00 0.00 0.00 0.00 51.96 51.26 3a13 s ALA 252 Cb -0.09 -0.65 -0.04 0.00 0.00 0.00 0.00 23.12 22.34 3a13 s ALA 252 CO 0.02 0.23 0.16 1.41 0.00 0.00 0.00 175.76 177.58 3a13 s MET 253 N 0.37 3.43 -0.07 0.00 1.75 0.24 -0.15 119.30 124.87 3a13 s MET 253 Ca -0.14 -0.26 -0.03 0.00 -1.25 0.00 0.00 55.69 54.02 3a13 s MET 253 Cb -0.16 -3.12 0.04 0.00 2.84 0.00 0.00 34.83 34.43 3a13 s MET 253 CO 0.05 0.71 0.16 0.08 -0.65 0.00 0.00 175.02 175.38 3a13 s VAL 254 N -1.22 -0.05 -0.95 10.11 1.01 -0.43 -1.50 120.40 127.38 3a13 s VAL 254 Ca 0.23 0.18 -0.24 0.00 0.00 0.00 0.00 61.98 62.15 3a13 s VAL 254 Cb -0.12 -0.27 0.01 0.00 0.00 0.00 0.00 36.38 36.00 3a13 s VAL 254 CO 0.13 0.07 1.65 -1.81 0.00 0.00 0.00 175.10 175.15 3a13 s ASP 255 N 1.20 5.91 0.23 3.32 1.01 -1.26 -0.82 116.67 126.26 3a13 s ASP 255 Ca -0.09 -1.05 -0.04 0.00 0.71 0.00 0.00 52.55 52.08 3a13 s ASP 255 Cb -0.11 -2.56 0.23 0.00 1.01 0.00 0.00 42.92 41.48 3a13 s ASP 255 CO -0.06 -2.04 1.66 -0.37 0.21 0.00 0.00 175.17 174.57 3a13 h VAL 256 N 6.95 1.26 -0.16 -1.27 -1.51 -1.53 -0.10 116.25 119.90 3a13 h VAL 256 Ca 0.13 -1.25 -0.03 0.00 -1.23 0.00 0.00 66.70 64.31 3a13 h VAL 256 Cb 1.01 1.13 -0.01 0.00 -2.13 0.00 0.00 31.29 31.30 3a13 h VAL 256 CO 1.33 0.42 -0.02 0.58 -1.23 0.00 0.00 177.57 178.65 3a13 h VAL 257 N 0.68 1.27 -0.62 7.19 2.07 -1.81 -1.25 116.25 123.78 3a13 h VAL 257 Ca 0.11 -0.93 -0.04 0.00 0.82 0.00 0.00 66.70 66.66 3a13 h VAL 257 Cb 0.66 1.56 -0.03 0.00 -1.52 0.00 0.00 31.29 31.96 3a13 h VAL 257 CO 0.05 0.27 0.24 0.40 0.02 0.00 0.00 177.57 178.55 3a13 h ILE 258 N 0.02 1.24 -0.44 4.57 2.04 -1.67 -3.08 117.51 120.19 3a13 h ILE 258 Ca 0.04 -0.75 0.04 0.00 1.00 0.00 0.00 64.86 65.19 3a13 h ILE 258 Cb 0.43 0.56 -0.04 0.00 -0.74 0.00 0.00 36.82 37.03 3a13 h ILE 258 CO 0.01 0.29 0.20 0.74 0.00 0.00 0.00 178.15 179.39 3a13 h THR 259 N 0.87 0.93 0.00 -0.27 2.02 -0.89 -3.49 112.91 112.08 3a13 h THR 259 Ca 0.21 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.25 3a13 h THR 259 Cb 0.22 0.50 0.00 0.00 -1.74 0.00 0.00 68.15 67.13 3a13 h THR 259 CO -0.01 0.07 0.00 0.61 0.37 0.00 0.00 175.52 176.56 3a13 n GLY 260 N -1.23 0.47 0.11 2.16 0.00 -0.48 -4.67 105.19 101.55 3a13 n GLY 260 Ca 0.03 -1.89 -0.01 0.00 0.00 0.00 0.00 46.02 44.15 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 -0.70 1.61 4.06 -1.89 -3.17 115.95 115.86 3a13 h TRP 261 Ca 0.00 0.00 0.07 0.00 2.06 0.00 0.00 58.89 61.02 3a13 h TRP 261 Cb 0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 28.12 3a13 h TRP 261 CO 0.00 0.69 0.46 0.78 -3.56 0.00 0.00 178.44 176.81 3a13 h GLY 262 N 3.08 0.91 0.00 1.49 0.00 -2.00 -3.30 103.07 103.26 3a13 h GLY 262 Ca -0.01 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.03 3a13 h GLY 262 CO 0.09 0.21 0.00 0.00 0.00 0.00 0.00 176.54 176.84 3a13 n ALA 263 N -2.45 2.18 -0.11 3.60 0.00 -1.25 -4.80 120.51 117.67 3a13 n ALA 263 Ca 0.10 -0.21 -0.10 0.00 0.00 0.00 0.00 53.44 53.24 3a13 n ALA 263 Cb 0.24 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.66 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 0.00 0.48 -0.71 0.00 5.85 -1.62 -1.49 115.31 117.82 3a13 h LEU 264 Ca 0.00 -0.21 0.04 0.00 0.84 0.00 0.00 57.88 58.55 3a13 h LEU 264 Cb 0.00 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 40.86 3a13 h LEU 264 CO 0.00 0.56 0.43 -0.09 -0.34 0.00 0.00 178.44 179.01 3a13 h ARG 265 N 0.38 0.81 0.10 1.25 2.43 -1.87 0.27 114.38 117.74 3a13 h ARG 265 Ca 0.11 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.22 3a13 h ARG 265 Cb 0.26 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 3a13 h ARG 265 CO -0.00 0.53 -0.05 -0.92 -1.51 0.00 0.00 179.97 178.02 3a13 h TYR 266 N 0.83 -0.13 -0.29 2.20 3.20 -1.82 0.18 116.97 121.15 3a13 h TYR 266 Ca 0.29 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.22 3a13 h TYR 266 Cb 0.07 0.04 -0.06 0.00 1.54 0.00 0.00 36.73 38.32 3a13 h TYR 266 CO -0.05 -0.02 -0.12 0.82 -1.64 0.00 0.00 178.16 177.14 3a13 h ILE 267 N -0.20 0.60 -0.25 1.81 1.08 -0.84 0.18 117.51 119.91 3a13 h ILE 267 Ca -0.01 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.50 3a13 h ILE 267 Cb 0.16 0.60 -0.04 0.00 -3.07 0.00 0.00 36.82 34.47 3a13 h ILE 267 CO 0.02 0.00 0.01 -0.09 -0.69 0.00 0.00 178.15 177.40 3a13 h ARG 268 N -0.08 0.08 -0.44 2.37 1.12 -0.30 -0.63 114.38 116.50 3a13 h ARG 268 Ca 0.15 -0.00 0.03 0.00 -1.11 0.00 0.00 59.98 59.04 3a13 h ARG 268 Cb 0.30 -0.02 -0.03 0.00 -0.01 0.00 0.00 29.97 30.21 3a13 h ARG 268 CO -0.34 0.05 0.24 -0.44 -3.11 0.00 0.00 179.97 176.38 3a13 h ASP 269 N 0.08 0.37 -0.60 -3.80 3.32 -0.14 0.24 116.42 115.90 3a13 h ASP 269 Ca 0.12 0.02 0.04 0.00 0.02 0.00 0.00 57.03 57.22 3a13 h ASP 269 Cb 0.15 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 39.59 3a13 h ASP 269 CO -0.19 0.26 0.34 0.25 -1.72 0.00 0.00 179.24 178.19 3a13 h LEU 270 N 0.48 0.54 -0.71 1.55 5.85 -0.23 -0.85 115.31 121.93 3a13 h LEU 270 Ca 0.19 0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.82 3a13 h LEU 270 Cb 0.06 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 3a13 h LEU 270 CO -0.11 0.37 -0.08 0.00 -0.34 0.00 0.00 178.44 178.27 3a13 h ALA 271 N 1.29 0.91 -0.31 1.25 0.00 -0.59 -2.13 119.26 119.68 3a13 h ALA 271 Ca 0.25 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.85 3a13 h ALA 271 Cb 0.09 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3a13 h ALA 271 CO -0.14 0.63 0.20 0.00 0.00 0.00 0.00 179.25 179.95 3a13 h ALA 272 N 1.08 0.39 -0.09 0.00 0.00 -0.49 0.34 119.26 120.49 3a13 h ALA 272 Ca 0.14 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.05 3a13 h ALA 272 Cb 0.60 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 3a13 h ALA 272 CO 0.04 -0.16 0.06 -0.44 0.00 0.00 0.00 179.25 178.75 3a13 h ASP 273 N 0.40 0.01 0.45 0.00 3.32 -0.85 -0.64 116.42 119.12 3a13 h ASP 273 Ca 0.11 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 3a13 h ASP 273 Cb -0.04 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.51 3a13 h ASP 273 CO -0.03 0.01 -0.21 -1.22 -1.72 0.00 0.00 179.24 176.06 3a13 n TYR 274 N -4.52 0.00 -2.59 4.55 4.01 -0.83 -4.93 117.16 112.85 3a13 n TYR 274 Ca -0.01 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.64 3a13 n TYR 274 Cb 0.16 -0.22 0.02 0.00 -0.31 0.00 0.00 39.34 38.99 3a13 n TYR 274 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3a13 n GLY 275 N 1.37 0.22 3.62 2.72 0.00 -0.25 -4.91 105.19 107.96 3a13 n GLY 275 Ca 0.11 -0.41 -0.34 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.98 3.43 0.32 0.99 1.43 0.04 -4.88 118.68 117.03 3a13 s LEU 276 Ca 0.13 0.04 -0.24 0.00 -1.03 0.00 0.00 54.13 53.03 3a13 s LEU 276 Cb -0.06 -1.79 -0.10 0.00 0.03 0.00 0.00 46.19 44.28 3a13 s LEU 276 CO 0.16 0.32 0.90 0.00 0.23 0.00 0.00 176.35 177.96 3a13 s ALA 277 N -0.51 3.23 -0.22 4.21 0.00 0.46 -4.32 121.76 124.61 3a13 s ALA 277 Ca 0.08 0.43 -0.07 0.00 0.00 0.00 0.00 51.96 52.41 3a13 s ALA 277 Cb -0.12 -3.11 -0.04 0.00 0.00 0.00 0.00 23.12 19.86 3a13 s ALA 277 CO 0.02 0.20 0.07 0.42 0.00 0.00 0.00 175.76 176.47 3a13 s ILE 278 N -1.68 4.54 -0.27 0.00 1.01 -1.26 -0.03 121.20 123.51 3a13 s ILE 278 Ca 0.51 -0.11 -0.10 0.00 0.00 0.00 0.00 60.65 60.95 3a13 s ILE 278 Cb -0.17 -3.08 -0.04 0.00 0.01 0.00 0.00 42.46 39.17 3a13 s ILE 278 CO 0.22 0.39 0.15 -2.28 0.00 0.00 0.00 174.94 173.42 3a13 s HIS 279 N 1.02 3.18 -0.22 3.97 5.65 0.79 -1.49 115.29 128.19 3a13 s HIS 279 Ca 0.04 -0.05 -0.08 0.00 0.25 0.00 0.00 55.06 55.21 3a13 s HIS 279 Cb -0.14 -2.34 -0.04 0.00 -1.18 0.00 0.00 32.58 28.88 3a13 s HIS 279 CO 0.03 -0.22 0.09 0.20 -0.65 0.00 0.00 174.74 174.19 3a13 s GLY 280 N 1.71 1.89 -0.13 1.59 0.00 0.29 -1.31 107.32 111.37 3a13 s GLY 280 Ca 0.07 -0.88 -0.03 0.00 0.00 0.00 0.00 44.72 43.88 3a13 s GLY 280 CO 0.09 0.27 -0.03 -1.58 0.00 0.00 0.00 173.10 171.85 3a13 s HIS 281 N 0.88 3.04 -0.65 1.90 2.46 -0.00 -3.12 115.29 119.80 3a13 s HIS 281 Ca 0.05 -0.13 0.16 0.00 0.47 0.00 0.00 55.06 55.60 3a13 s HIS 281 Cb -0.13 -1.88 0.77 0.00 -0.13 0.00 0.00 32.58 31.20 3a13 s HIS 281 CO 0.03 0.13 1.68 2.89 -2.47 0.00 0.00 174.74 177.00 3a13 n ARG 282 N 3.02 4.36 -1.64 2.88 1.85 -1.26 -1.24 116.66 124.63 3a13 n ARG 282 Ca -0.18 -2.98 -0.63 0.00 -1.00 0.00 0.00 57.85 53.06 3a13 n ARG 282 Cb 0.53 -2.10 -0.09 0.00 -1.05 0.00 0.00 32.46 29.75 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 0.84 -2.24 0.00 2.89 0.00 -1.26 -1.15 120.51 119.59 3a13 n ALA 283 Ca 0.27 0.54 0.00 0.00 0.00 0.00 0.00 53.44 54.24 3a13 n ALA 283 Cb 1.06 -1.88 0.00 0.00 0.00 0.00 0.00 19.45 18.63 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 2.98 0.00 -0.21 0.00 0.00 -1.26 -4.02 117.12 114.61 3a13 n MET 284 Ca 0.26 0.00 0.11 0.00 -0.00 0.00 0.00 57.70 58.07 3a13 n MET 284 Cb 0.02 0.00 0.41 0.00 0.00 0.00 0.00 33.22 33.65 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 0.69 0.00 1.12 -0.00 -1.54 -1.84 115.15 113.58 3a13 h HIS 285 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.39 3a13 h HIS 285 Cb 0.00 -0.22 0.00 0.00 -0.00 0.00 0.00 27.41 27.19 3a13 h HIS 285 CO 0.00 0.29 0.00 0.00 -0.00 0.00 0.00 177.93 178.22 3a13 n ALA 286 N -2.47 1.66 0.29 6.11 0.00 -1.26 -0.64 120.51 124.20 3a13 n ALA 286 Ca 0.14 0.01 0.16 0.00 0.00 0.00 0.00 53.44 53.75 3a13 n ALA 286 Cb 0.41 -1.30 0.87 0.00 0.00 0.00 0.00 19.45 19.43 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 2.39 1.27 0.00 0.00 0.00 -1.75 -3.24 119.26 117.94 3a13 h ALA 287 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3a13 h ALA 287 Cb 0.30 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3a13 h ALA 287 CO 0.00 0.07 -0.01 1.97 0.00 0.00 0.00 179.25 181.28 3a13 n PHE 288 N -3.55 0.00 1.07 0.00 1.16 -0.32 -4.83 117.46 110.99 3a13 n PHE 288 Ca -0.02 0.00 0.12 0.00 -1.87 0.00 0.00 57.45 55.67 3a13 n PHE 288 Cb 0.17 0.00 0.10 0.00 -1.61 0.00 0.00 39.48 38.14 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 -0.37 0.00 -0.00 1.97 -2.24 0.19 -1.46 114.28 112.36 3a13 n THR 289 Ca 0.00 -0.20 -0.18 0.00 -2.27 0.00 0.00 64.05 61.40 3a13 n THR 289 Cb 0.00 0.97 -0.14 0.00 -2.10 0.00 0.00 70.33 69.06 3a13 n THR 289 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3a13 n ARG 290 N -0.33 0.72 -2.16 -0.78 0.63 -1.22 -4.57 116.66 108.94 3a13 n ARG 290 Ca 0.10 0.27 -0.43 0.00 -0.92 0.00 0.00 57.85 56.87 3a13 n ARG 290 Cb 0.42 -1.73 -0.02 0.00 0.45 0.00 0.00 32.46 31.58 3a13 n ARG 290 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 3a13 s ASN 291 N -6.76 6.53 0.00 6.15 3.84 -1.26 -4.88 114.94 118.55 3a13 s ASN 291 Ca -0.18 1.70 0.21 0.00 0.21 0.00 0.00 52.86 54.80 3a13 s ASN 291 Cb 0.07 -2.53 1.09 0.00 -0.55 0.00 0.00 41.25 39.33 3a13 s ASN 291 CO 0.78 -1.12 1.65 -2.65 -2.79 0.00 0.00 177.10 172.97 3a13 n PRO 292 N 7.40 0.38 -0.03 0.43 -0.02 -1.26 -2.35 135.00 139.55 3a13 n PRO 292 Ca 0.17 0.07 0.03 0.00 -2.02 0.00 0.00 63.50 61.76 3a13 n PRO 292 Cb 0.45 -1.50 0.04 0.00 -0.02 0.00 0.00 33.50 32.47 3a13 n PRO 292 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3a13 n TYR 293 N -1.22 0.08 -3.64 6.00 4.01 -1.26 -4.89 117.16 116.24 3a13 n TYR 293 Ca 0.11 -0.16 -0.04 0.00 -0.16 0.00 0.00 57.90 57.65 3a13 n TYR 293 Cb 0.14 -0.01 -0.07 0.00 -0.31 0.00 0.00 39.34 39.09 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 -0.67 -0.59 -0.09 -0.72 2.46 -0.99 -2.42 115.29 112.27 3a13 s HIS 294 Ca 0.09 1.23 0.00 0.00 0.47 0.00 0.00 55.06 56.85 3a13 s HIS 294 Cb 0.06 0.37 0.00 0.00 -0.13 0.00 0.00 32.58 32.88 3a13 s HIS 294 CO 0.08 -0.29 0.00 0.41 -2.47 0.00 0.00 174.74 172.47 3a13 n GLY 295 N 3.40 0.10 2.88 1.59 0.00 -0.65 -4.18 105.19 108.34 3a13 n GLY 295 Ca -0.17 -1.79 -0.20 0.00 0.00 0.00 0.00 46.02 43.86 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 -0.59 0.48 0.40 -0.61 1.01 -0.54 -1.73 121.20 119.61 3a13 s ILE 296 Ca 0.00 -0.09 -0.25 0.00 0.00 0.00 0.00 60.65 60.31 3a13 s ILE 296 Cb 0.00 -0.52 -0.09 0.00 0.01 0.00 0.00 42.46 41.87 3a13 s ILE 296 CO 0.00 0.21 1.14 -0.55 0.00 0.00 0.00 174.94 175.74 3a13 s SER 297 N 0.94 6.59 0.59 3.58 0.15 -0.48 -3.74 113.70 121.33 3a13 s SER 297 Ca -0.11 2.28 0.28 0.00 0.70 0.00 0.00 55.95 59.11 3a13 s SER 297 Cb -0.14 -2.61 1.57 0.00 -1.71 0.00 0.00 66.02 63.13 3a13 s SER 297 CO -0.00 -0.62 2.02 -0.03 1.20 0.00 0.00 173.24 175.81 3a13 h MET 298 N 2.65 0.00 -0.63 5.44 4.05 -1.91 -1.75 114.93 122.78 3a13 h MET 298 Ca -0.49 0.00 -0.05 0.00 -0.28 0.00 0.00 59.70 58.89 3a13 h MET 298 Cb 1.23 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 32.00 3a13 h MET 298 CO 0.63 0.00 0.20 0.35 0.23 0.00 0.00 176.91 178.31 3a13 h PHE 299 N 0.00 0.99 0.12 1.39 3.57 -1.90 0.17 116.94 121.28 3a13 h PHE 299 Ca 0.14 -0.09 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 3a13 h PHE 299 Cb 0.76 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 39.21 3a13 h PHE 299 CO 0.00 0.79 -0.06 0.28 -2.23 0.00 0.00 178.31 177.09 3a13 h VAL 300 N 0.93 1.06 -0.75 1.41 2.07 -1.52 -2.61 116.25 116.84 3a13 h VAL 300 Ca 0.21 -0.90 0.15 0.00 0.82 0.00 0.00 66.70 66.99 3a13 h VAL 300 Cb 0.27 1.61 -0.10 0.00 -1.52 0.00 0.00 31.29 31.54 3a13 h VAL 300 CO -0.01 0.21 0.24 -0.07 0.02 0.00 0.00 177.57 177.96 3a13 h LEU 301 N -0.60 0.13 -0.95 2.57 4.07 -1.31 -0.39 115.31 118.84 3a13 h LEU 301 Ca -0.02 0.13 -0.04 0.00 0.08 0.00 0.00 57.88 58.04 3a13 h LEU 301 Cb 0.47 0.15 -0.03 0.00 1.08 0.00 0.00 40.66 42.32 3a13 h LEU 301 CO 0.03 0.02 0.31 0.00 -1.08 0.00 0.00 178.44 177.72 3a13 h ALA 302 N 1.59 1.17 -0.10 1.53 0.00 -0.64 -0.26 119.26 122.54 3a13 h ALA 302 Ca 0.42 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 3a13 h ALA 302 Cb 0.69 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 3a13 h ALA 302 CO -0.47 0.61 -0.05 -0.22 0.00 0.00 0.00 179.25 179.12 3a13 h LYS 303 N 1.06 0.21 -0.27 0.00 3.64 -0.77 -2.02 116.57 118.42 3a13 h LYS 303 Ca 0.25 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 59.53 3a13 h LYS 303 Cb 0.17 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 3a13 h LYS 303 CO -0.03 0.58 0.16 -0.07 -2.27 0.00 0.00 179.45 177.82 3a13 h LEU 304 N -0.16 0.33 -1.14 5.20 3.38 -0.98 -0.65 115.31 121.29 3a13 h LEU 304 Ca 0.02 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 3a13 h LEU 304 Cb 0.52 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 3a13 h LEU 304 CO 0.02 0.30 0.24 1.88 0.09 0.00 0.00 178.44 180.96 3a13 h TYR 305 N 0.34 0.84 -0.39 1.13 0.05 -1.06 0.83 116.97 118.71 3a13 h TYR 305 Ca 0.10 -0.04 -0.06 0.00 0.05 0.00 0.00 58.73 58.77 3a13 h TYR 305 Cb 0.03 -0.26 -0.01 0.00 1.01 0.00 0.00 36.73 37.49 3a13 h TYR 305 CO -0.04 0.65 0.01 -0.09 -1.05 0.00 0.00 178.16 177.63 3a13 h ARG 306 N 0.83 0.68 -0.34 4.88 2.43 -1.11 0.33 114.38 122.08 3a13 h ARG 306 Ca 0.20 -0.21 0.04 0.00 -0.81 0.00 0.00 59.98 59.19 3a13 h ARG 306 Cb 0.16 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.61 3a13 h ARG 306 CO -0.02 0.77 0.12 -0.07 -1.51 0.00 0.00 179.97 179.27 3a13 h LEU 307 N 0.51 0.14 -1.17 3.80 4.07 -0.46 -1.67 115.31 120.54 3a13 h LEU 307 Ca 0.11 0.03 -0.02 0.00 0.08 0.00 0.00 57.88 58.08 3a13 h LEU 307 Cb 0.46 0.02 -0.03 0.00 1.08 0.00 0.00 40.66 42.19 3a13 h LEU 307 CO 0.02 0.12 0.29 0.40 -1.08 0.00 0.00 178.44 178.19 3a13 h ILE 308 N 0.27 1.20 0.00 1.22 2.04 -0.77 -1.24 117.51 120.24 3a13 h ILE 308 Ca 0.15 -0.58 0.00 0.00 1.00 0.00 0.00 64.86 65.43 3a13 h ILE 308 Cb 0.12 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 36.61 3a13 h ILE 308 CO -0.15 0.24 0.00 0.61 0.00 0.00 0.00 178.15 178.85 3a13 n GLY 309 N -1.14 1.90 3.65 5.37 0.00 -0.45 -4.23 105.19 110.29 3a13 n GLY 309 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.90 3.84 0.23 -0.61 -1.09 -0.02 -4.11 121.20 117.54 3a13 s ILE 310 Ca 0.00 0.99 0.05 0.00 -2.23 0.00 0.00 60.65 59.46 3a13 s ILE 310 Cb 0.00 -3.71 -0.06 0.00 -1.58 0.00 0.00 42.46 37.11 3a13 s ILE 310 CO 0.00 -0.16 1.54 0.44 -1.23 0.00 0.00 174.94 175.52 3a13 h ASP 311 N 9.48 0.23 -3.69 3.58 3.32 -1.73 -3.42 116.42 124.19 3a13 h ASP 311 Ca -0.33 -0.14 -0.28 0.00 0.02 0.00 0.00 57.03 56.30 3a13 h ASP 311 Cb 1.15 -0.07 -0.30 0.00 0.22 0.00 0.00 39.33 40.33 3a13 h ASP 311 CO 0.98 0.82 -0.73 -1.10 -1.72 0.00 0.00 179.24 177.48 3a13 s GLN 312 N -3.65 0.11 -0.10 3.56 -0.21 -0.56 0.38 119.66 119.20 3a13 s GLN 312 Ca -0.03 0.01 -0.07 0.00 0.02 0.00 0.00 55.36 55.28 3a13 s GLN 312 Cb 0.12 -0.19 0.03 0.00 1.00 0.00 0.00 33.01 33.97 3a13 s GLN 312 CO 0.80 -0.03 0.25 -1.17 -2.12 0.00 0.00 175.29 173.02 3a13 s LEU 313 N 0.32 0.78 0.19 2.90 2.96 -0.74 0.10 118.68 125.20 3a13 s LEU 313 Ca -0.03 0.52 -0.30 0.00 -0.22 0.00 0.00 54.13 54.10 3a13 s LEU 313 Cb -0.05 0.83 -0.08 0.00 0.50 0.00 0.00 46.19 47.39 3a13 s LEU 313 CO -0.01 -0.12 1.23 -1.00 -1.32 0.00 0.00 176.35 175.14 3a13 s HIS 314 N 0.57 3.37 0.00 5.38 3.76 -1.18 0.73 115.29 127.91 3a13 s HIS 314 Ca -0.04 1.36 0.00 0.00 -0.15 0.00 0.00 55.06 56.23 3a13 s HIS 314 Cb -0.05 -3.49 0.00 0.00 1.11 0.00 0.00 32.58 30.15 3a13 s HIS 314 CO -0.03 -1.42 0.05 1.33 -0.85 0.00 0.00 174.74 173.81 3a13 n VAL 315 N 2.53 0.00 0.00 -0.90 0.24 -0.17 -4.81 118.33 115.22 3a13 n VAL 315 Ca 0.05 -0.41 0.00 0.00 -2.04 0.00 0.00 64.34 61.94 3a13 n VAL 315 Cb 0.44 1.02 0.00 0.00 -1.47 0.00 0.00 33.84 33.83 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 0.72 1.50 0.30 7.63 0.00 -1.26 -4.62 105.19 109.47 3a13 n GLY 316 Ca 0.00 -2.14 0.09 0.00 0.00 0.00 0.00 46.02 43.97 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 0.01 2.02 -3.71 2.61 -2.24 -1.26 -4.31 114.28 107.40 3a13 n THR 317 Ca 0.00 -2.41 -0.28 0.00 -2.27 0.00 0.00 64.05 59.09 3a13 n THR 317 Cb 0.00 -0.25 0.02 0.00 -2.10 0.00 0.00 70.33 68.00 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 -1.26 -1.19 0.00 6.98 0.00 -1.23 -2.14 120.51 121.66 3a13 n ALA 318 Ca 0.18 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.79 3a13 n ALA 318 Cb 0.69 -3.98 0.00 0.00 0.00 0.00 0.00 19.45 16.16 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 -1.53 2.92 0.35 0.00 0.00 0.31 -3.89 105.19 103.35 3a13 n GLY 319 Ca 0.02 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.00 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 1.17 -4.00 4.61 0.00 -1.73 -3.47 119.26 115.85 3a13 h ALA 320 Ca 0.00 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 3a13 h ALA 320 Cb 0.00 -0.33 0.02 0.00 0.00 0.00 0.00 17.79 17.48 3a13 h ALA 320 CO 0.00 0.64 0.03 0.41 0.00 0.00 0.00 179.25 180.33 3a13 n GLY 321 N -1.06 0.64 0.07 0.00 0.00 -1.26 -4.33 105.19 99.25 3a13 n GLY 321 Ca 0.08 -1.96 0.13 0.00 0.00 0.00 0.00 46.02 44.27 3a13 n GLY 321 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3a13 n LYS 322 N -1.41 0.21 -4.05 1.61 2.85 -0.86 -4.69 118.16 111.82 3a13 n LYS 322 Ca 0.04 0.14 -0.31 0.00 -1.05 0.00 0.00 58.31 57.12 3a13 n LYS 322 Cb 0.13 -1.71 -0.06 0.00 -0.65 0.00 0.00 35.03 32.73 3a13 n LYS 322 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 3a13 s LEU 323 N -4.13 3.89 0.39 -5.58 1.43 -1.26 -4.84 118.68 108.58 3a13 s LEU 323 Ca 0.10 0.07 -0.27 0.00 -1.03 0.00 0.00 54.13 52.99 3a13 s LEU 323 Cb 0.14 -2.47 -0.10 0.00 0.03 0.00 0.00 46.19 43.79 3a13 s LEU 323 CO 0.62 0.20 1.42 -0.70 0.23 0.00 0.00 176.35 178.13 3a13 s GLU 324 N -2.21 4.02 0.00 1.70 -6.30 -1.26 -4.81 118.70 109.84 3a13 s GLU 324 Ca 0.28 2.44 0.00 0.00 -2.50 0.00 0.00 54.97 55.19 3a13 s GLU 324 Cb -0.12 -2.88 0.00 0.00 0.00 0.00 0.00 34.13 31.13 3a13 s GLU 324 CO 0.20 -0.55 0.00 0.41 0.02 0.00 0.00 175.26 175.34 3a13 n GLY 325 N 0.56 0.65 3.86 -1.50 0.00 -1.26 -4.90 105.19 102.61 3a13 n GLY 325 Ca 0.02 0.43 -0.31 0.00 0.00 0.00 0.00 46.02 46.16 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 0.00 3.40 0.17 1.61 2.02 -1.26 -0.53 118.70 124.10 3a13 s GLU 326 Ca 0.00 0.74 -0.21 0.00 0.02 0.00 0.00 54.97 55.52 3a13 s GLU 326 Cb 0.00 -2.06 0.08 0.00 0.10 0.00 0.00 34.13 32.25 3a13 s GLU 326 CO 0.00 -0.71 1.61 -0.09 0.02 0.00 0.00 175.26 176.09 3a13 h ARG 327 N -0.42 -0.19 0.21 1.61 2.43 -1.94 -1.66 114.38 114.41 3a13 h ARG 327 Ca -0.44 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 58.75 3a13 h ARG 327 Cb 1.20 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.77 3a13 h ARG 327 CO 0.61 -0.13 -0.25 0.38 -1.51 0.00 0.00 179.97 179.08 3a13 h ASP 328 N -0.20 -0.68 -0.30 -3.80 3.04 -1.93 -1.56 116.42 110.98 3a13 h ASP 328 Ca 0.18 0.07 0.04 0.00 -3.24 0.00 0.00 57.03 54.08 3a13 h ASP 328 Cb 0.49 0.24 -0.04 0.00 -1.04 0.00 0.00 39.33 38.98 3a13 h ASP 328 CO -0.51 -0.36 0.06 0.40 -2.04 0.00 0.00 179.24 176.80 3a13 h ILE 329 N -0.51 0.85 -0.88 4.15 2.04 -1.88 -1.62 117.51 119.67 3a13 h ILE 329 Ca 0.00 -0.06 0.04 0.00 1.00 0.00 0.00 64.86 65.84 3a13 h ILE 329 Cb 0.49 0.67 -0.05 0.00 -0.74 0.00 0.00 36.82 37.18 3a13 h ILE 329 CO -0.08 0.03 0.57 0.74 0.00 0.00 0.00 178.15 179.41 3a13 h THR 330 N 0.17 1.13 -0.79 -0.27 2.02 -1.17 -0.09 112.91 113.91 3a13 h THR 330 Ca 0.14 -0.37 -0.02 0.00 0.77 0.00 0.00 66.41 66.93 3a13 h THR 330 Cb 0.15 -0.05 -0.04 0.00 -1.74 0.00 0.00 68.15 66.47 3a13 h THR 330 CO -0.19 0.20 0.42 0.40 0.37 0.00 0.00 175.52 176.72 3a13 h ILE 331 N 1.09 1.24 -0.38 3.11 2.04 -0.76 -1.53 117.51 122.32 3a13 h ILE 331 Ca 0.35 -0.61 -0.06 0.00 1.00 0.00 0.00 64.86 65.54 3a13 h ILE 331 Cb 0.03 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.30 3a13 h ILE 331 CO -0.12 0.27 -0.01 1.56 0.00 0.00 0.00 178.15 179.85 3a13 h GLN 332 N 1.10 0.67 -0.61 2.37 1.08 -0.60 -0.61 115.11 118.50 3a13 h GLN 332 Ca 0.28 -0.22 0.12 0.00 -1.45 0.00 0.00 58.65 57.38 3a13 h GLN 332 Cb 0.05 -0.06 -0.09 0.00 -0.05 0.00 0.00 27.48 27.33 3a13 h GLN 332 CO -0.04 0.77 0.12 -0.91 -0.95 0.00 0.00 178.83 177.82 3a13 h ASN 333 N 0.48 -0.03 -0.37 1.46 2.35 -0.82 -1.10 115.58 117.56 3a13 h ASN 333 Ca 0.11 0.12 -0.04 0.00 -0.55 0.00 0.00 56.30 55.93 3a13 h ASN 333 Cb 0.48 0.17 -0.01 0.00 0.05 0.00 0.00 38.32 39.00 3a13 h ASN 333 CO 0.02 -0.01 0.07 0.00 -1.65 0.00 0.00 177.43 175.87 3a13 h ALA 334 N 1.50 0.49 -0.08 -0.83 0.00 -1.05 -2.73 119.26 116.57 3a13 h ALA 334 Ca 0.32 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 55.05 3a13 h ALA 334 Cb 0.49 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3a13 h ALA 334 CO -0.43 0.19 -0.04 0.00 0.00 0.00 0.00 179.25 178.97 3a13 h ARG 335 N 0.46 -0.03 0.00 0.00 3.08 -0.48 -2.15 114.38 115.26 3a13 h ARG 335 Ca 0.12 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.14 3a13 h ARG 335 Cb 0.34 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.39 3a13 h ARG 335 CO 0.00 -0.02 -0.11 0.97 -1.07 0.00 0.00 179.97 179.74 3a13 h ILE 336 N -0.03 0.57 -0.01 2.04 6.09 -1.19 -1.05 117.51 123.92 3a13 h ILE 336 Ca 0.04 -0.51 -0.21 0.00 -1.37 0.00 0.00 64.86 62.82 3a13 h ILE 336 Cb 0.09 1.33 -0.00 0.00 0.47 0.00 0.00 36.82 38.71 3a13 h ILE 336 CO -0.10 0.11 -0.87 -0.07 -3.07 0.00 0.00 178.15 174.15 3a13 h LEU 337 N 0.00 0.42 0.00 2.19 3.38 -1.12 -3.40 115.31 116.78 3a13 h LEU 337 Ca -0.00 -0.33 -0.32 0.00 0.09 0.00 0.00 57.88 57.32 3a13 h LEU 337 Cb 0.32 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.88 3a13 h LEU 337 CO 0.01 1.11 -2.27 0.54 0.09 0.00 0.00 178.44 177.92 3a13 n ARG 338 N -3.73 0.89 -3.01 1.13 1.74 -0.72 -1.07 116.66 111.89 3a13 n ARG 338 Ca -0.05 -0.02 -0.39 0.00 -0.77 0.00 0.00 57.85 56.61 3a13 n ARG 338 Cb 0.80 -1.49 -0.06 0.00 -1.02 0.00 0.00 32.46 30.69 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 -2.52 4.54 0.27 5.56 2.02 -0.48 -4.55 118.70 123.54 3a13 s GLU 339 Ca -0.09 1.12 0.13 0.00 0.02 0.00 0.00 54.97 56.15 3a13 s GLU 339 Cb 0.06 -3.26 0.28 0.00 0.10 0.00 0.00 34.13 31.31 3a13 s GLU 339 CO 0.78 0.58 1.55 0.66 0.02 0.00 0.00 175.26 178.85 3a13 h SER 340 N 4.34 0.00 -2.32 -0.19 4.64 -1.91 -3.40 113.55 114.72 3a13 h SER 340 Ca -0.47 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.35 3a13 h SER 340 Cb 1.21 0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 62.94 3a13 h SER 340 CO 0.66 0.62 -0.79 -2.28 -0.87 0.00 0.00 176.83 174.16 3a13 s HIS 341 N -3.32 0.32 -0.07 4.77 5.65 -1.26 -1.15 115.29 120.22 3a13 s HIS 341 Ca 0.00 -1.34 -0.30 0.00 0.25 0.00 0.00 55.06 53.68 3a13 s HIS 341 Cb 0.11 -0.70 -0.03 0.00 -1.18 0.00 0.00 32.58 30.77 3a13 s HIS 341 CO 0.75 -0.89 1.24 -0.47 -0.65 0.00 0.00 174.74 174.73 3a13 s TYR 342 N 1.16 3.05 -0.15 3.88 5.04 0.42 -4.92 117.35 125.84 3a13 s TYR 342 Ca 0.18 1.11 0.02 0.00 -2.44 0.00 0.00 57.07 55.94 3a13 s TYR 342 Cb -0.19 -3.48 0.01 0.00 0.35 0.00 0.00 41.96 38.66 3a13 s TYR 342 CO -0.01 -1.57 -0.21 0.15 -1.34 0.00 0.00 175.55 172.57 3a13 s LYS 343 N 2.56 2.97 0.38 4.97 1.02 -1.26 -0.84 119.74 129.54 3a13 s LYS 343 Ca 0.57 -0.83 -0.25 0.00 0.02 0.00 0.00 55.97 55.47 3a13 s LYS 343 Cb -0.25 -2.44 -0.09 0.00 -0.52 0.00 0.00 37.83 34.53 3a13 s LYS 343 CO 0.21 -0.07 1.08 -1.25 -0.92 0.00 0.00 175.35 174.40 3a13 s PRO 344 N 0.95 4.22 0.59 -1.68 0.04 -1.26 -5.00 135.00 132.86 3a13 s PRO 344 Ca -0.04 1.62 -0.19 0.00 0.04 0.00 0.00 61.00 62.43 3a13 s PRO 344 Cb -0.15 -2.68 -0.05 0.00 0.04 0.00 0.00 34.50 31.67 3a13 s PRO 344 CO -0.05 -0.11 1.07 -0.25 0.04 0.00 0.00 177.00 177.70 3a13 n ASP 345 N 0.17 1.27 -0.40 6.66 8.00 -1.26 -4.84 116.55 126.14 3a13 n ASP 345 Ca 0.04 0.85 0.33 0.00 0.71 0.00 0.00 54.79 56.72 3a13 n ASP 345 Cb 0.48 -1.44 0.64 0.00 -0.02 0.00 0.00 41.12 40.79 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 0.71 0.15 -0.26 -1.24 9.09 -2.02 0.22 114.58 121.24 3a13 h GLU 346 Ca -0.49 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 58.91 3a13 h GLU 346 Cb 1.35 -0.03 0.00 0.00 -1.65 0.00 0.00 28.75 28.41 3a13 h GLU 346 CO 0.52 0.10 0.00 0.27 0.05 0.00 0.00 179.01 179.96 3a13 n ASN 347 N -4.49 2.08 -4.52 3.06 6.94 -1.26 -4.86 115.26 112.21 3a13 n ASN 347 Ca 0.31 -1.82 -0.43 0.00 -0.02 0.00 0.00 54.58 52.62 3a13 n ASN 347 Cb 1.26 -0.17 -0.05 0.00 -2.36 0.00 0.00 39.78 38.47 3a13 n ASN 347 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 3a13 s ASP 348 N -1.43 6.35 0.00 0.53 -1.08 0.76 -4.90 116.67 116.90 3a13 s ASP 348 Ca 0.32 -0.34 0.26 0.00 -0.52 0.00 0.00 52.55 52.27 3a13 s ASP 348 Cb 0.18 -2.38 0.95 0.00 -1.46 0.00 0.00 42.92 40.20 3a13 s ASP 348 CO 0.25 -1.01 1.68 1.33 0.52 0.00 0.00 175.17 177.95 3a13 n VAL 349 N 6.06 0.07 -0.09 1.11 0.24 -1.26 -4.36 118.33 120.10 3a13 n VAL 349 Ca 0.00 -0.28 -0.10 0.00 -2.04 0.00 0.00 64.34 61.92 3a13 n VAL 349 Cb 0.47 0.46 -0.11 0.00 -1.47 0.00 0.00 33.84 33.20 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 0.23 0.00 -4.38 6.34 3.72 -1.26 -4.95 117.46 117.16 3a13 n PHE 350 Ca 0.18 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.30 3a13 n PHE 350 Cb 0.35 -0.75 -0.13 0.00 -0.94 0.00 0.00 39.48 38.01 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 -2.38 2.24 0.26 1.38 3.76 -1.26 -4.33 115.29 114.96 3a13 s HIS 351 Ca -0.16 -0.38 0.09 0.00 -0.15 0.00 0.00 55.06 54.46 3a13 s HIS 351 Cb 0.06 -1.20 -0.04 0.00 1.11 0.00 0.00 32.58 32.50 3a13 s HIS 351 CO 0.54 0.34 0.01 -0.51 -0.85 0.00 0.00 174.74 174.27 3a13 s LEU 352 N -2.11 3.24 0.42 0.89 1.43 -1.26 -4.74 118.68 116.55 3a13 s LEU 352 Ca 0.14 -0.61 -0.26 0.00 -1.03 0.00 0.00 54.13 52.37 3a13 s LEU 352 Cb -0.10 -1.77 -0.10 0.00 0.03 0.00 0.00 46.19 44.25 3a13 s LEU 352 CO 0.06 0.00 1.28 1.21 0.23 0.00 0.00 176.35 179.14 3a13 n GLU 353 N -0.88 1.97 -3.44 1.70 2.13 -1.26 -4.66 120.64 116.20 3a13 n GLU 353 Ca -0.07 0.70 -0.04 0.00 0.66 0.00 0.00 57.16 58.41 3a13 n GLU 353 Cb 0.59 -2.40 -0.06 0.00 0.27 0.00 0.00 31.44 29.84 3a13 n GLU 353 CO 0.00 0.00 0.00 -1.14 -0.41 0.00 0.00 177.13 175.58 3a13 s GLN 354 N -2.19 0.44 0.26 5.31 2.00 -0.02 -4.97 119.66 120.49 3a13 s GLN 354 Ca 0.60 0.96 -0.16 0.00 -2.00 0.00 0.00 55.36 54.76 3a13 s GLN 354 Cb -0.51 0.24 -0.08 0.00 0.80 0.00 0.00 33.01 33.46 3a13 s GLN 354 CO 0.58 -0.45 0.68 0.15 -0.50 0.00 0.00 175.29 175.76 3a13 s LYS 355 N 2.70 4.05 0.00 1.67 1.02 -1.26 -0.44 119.74 127.48 3a13 s LYS 355 Ca 0.07 0.65 0.02 0.00 0.02 0.00 0.00 55.97 56.73 3a13 s LYS 355 Cb -0.14 -2.66 -0.01 0.00 -0.52 0.00 0.00 37.83 34.51 3a13 s LYS 355 CO -0.17 0.29 0.24 1.19 -0.92 0.00 0.00 175.35 175.99 3a13 n PHE 356 N 0.14 0.00 0.00 3.18 3.72 -0.30 -4.93 117.46 119.26 3a13 n PHE 356 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 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 -0.67 0.00 1.22 1.38 4.01 -1.25 -0.94 117.16 120.90 3a13 n TYR 357 Ca 0.01 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.87 3a13 n TYR 357 Cb 0.04 0.00 0.29 0.00 -0.31 0.00 0.00 39.34 39.36 3a13 n TYR 357 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 3a13 n SER 358 N 7.67 1.67 -4.61 7.72 7.64 -1.26 -4.87 113.62 127.59 3a13 n SER 358 Ca 0.00 -1.35 -0.43 0.00 1.01 0.00 0.00 58.87 58.10 3a13 n SER 358 Cb 0.00 0.16 -0.03 0.00 -1.01 0.00 0.00 64.21 63.33 3a13 n SER 358 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3a13 s ILE 359 N -2.29 3.21 0.98 0.44 -1.09 -0.12 -4.94 121.20 117.38 3a13 s ILE 359 Ca 0.27 0.22 -0.11 0.00 -2.23 0.00 0.00 60.65 58.81 3a13 s ILE 359 Cb 0.20 -3.26 0.18 0.00 -1.58 0.00 0.00 42.46 38.00 3a13 s ILE 359 CO 0.45 -0.15 1.11 -0.54 -1.23 0.00 0.00 174.94 174.59 3a13 s LYS 360 N 5.80 0.51 0.18 2.79 1.02 -1.26 -4.92 119.74 123.86 3a13 s LYS 360 Ca 0.91 1.36 -0.30 0.00 0.02 0.00 0.00 55.97 57.95 3a13 s LYS 360 Cb -0.30 -1.68 -0.08 0.00 -0.52 0.00 0.00 37.83 35.25 3a13 s LYS 360 CO 0.35 -2.92 1.04 0.00 -0.92 0.00 0.00 175.35 172.90 3a13 s ALA 361 N -2.60 3.34 0.27 5.17 0.00 -1.26 -4.57 121.76 122.11 3a13 s ALA 361 Ca 0.67 0.74 -0.06 0.00 0.00 0.00 0.00 51.96 53.30 3a13 s ALA 361 Cb -0.23 -3.31 -0.06 0.00 0.00 0.00 0.00 23.12 19.52 3a13 s ALA 361 CO 0.60 -0.09 0.55 0.00 0.00 0.00 0.00 175.76 176.82 3a13 s ALA 362 N -0.45 3.60 -0.55 0.00 0.00 -0.23 -0.74 121.76 123.39 3a13 s ALA 362 Ca 0.47 -0.47 -0.23 0.00 0.00 0.00 0.00 51.96 51.72 3a13 s ALA 362 Cb -0.28 -2.34 0.05 0.00 0.00 0.00 0.00 23.12 20.54 3a13 s ALA 362 CO 0.34 0.32 0.90 0.12 0.00 0.00 0.00 175.76 177.43 3a13 s PHE 363 N -2.01 2.82 0.28 0.00 2.19 0.16 -4.25 117.98 117.17 3a13 s PHE 363 Ca 0.45 -0.12 -0.30 0.00 0.33 0.00 0.00 56.93 57.29 3a13 s PHE 363 Cb -0.11 -4.01 -0.11 0.00 -1.31 0.00 0.00 43.02 37.49 3a13 s PHE 363 CO 0.28 -1.32 1.51 -2.14 1.83 0.00 0.00 175.22 175.37 3a13 s PRO 364 N 3.76 4.19 -0.15 10.12 0.02 -1.26 -1.79 135.00 149.88 3a13 s PRO 364 Ca 0.28 2.44 0.00 0.00 0.02 0.00 0.00 61.00 63.74 3a13 s PRO 364 Cb -0.14 -3.06 -0.00 0.00 0.02 0.00 0.00 34.50 31.32 3a13 s PRO 364 CO 0.18 -0.52 -0.15 0.99 -0.33 0.00 0.00 177.00 177.16 3a13 s THR 365 N -0.11 2.65 -0.19 0.99 2.01 0.22 -0.90 115.64 120.32 3a13 s THR 365 Ca 0.60 -0.77 -0.04 0.00 0.31 0.00 0.00 61.69 61.79 3a13 s THR 365 Cb -0.45 -2.12 -0.01 0.00 0.01 0.00 0.00 72.50 69.93 3a13 s THR 365 CO 0.47 0.52 -0.05 -0.55 -0.69 0.00 0.00 174.62 174.32 3a13 s SER 366 N 0.81 4.43 0.00 3.53 0.15 0.22 -1.00 113.70 121.84 3a13 s SER 366 Ca -0.05 -0.31 -0.28 0.00 0.70 0.00 0.00 55.95 56.01 3a13 s SER 366 Cb -0.15 -1.74 0.09 0.00 -1.71 0.00 0.00 66.02 62.51 3a13 s SER 366 CO -0.00 0.05 0.78 -0.55 1.20 0.00 0.00 173.24 174.72 3a13 s SER 367 N 1.07 -0.49 0.00 5.45 0.15 -1.26 -1.78 113.70 116.85 3a13 s SER 367 Ca 0.01 0.23 0.00 0.00 0.70 0.00 0.00 55.95 56.89 3a13 s SER 367 Cb -0.15 0.46 0.00 0.00 -1.71 0.00 0.00 66.02 64.63 3a13 s SER 367 CO -0.00 -0.66 0.00 0.61 1.20 0.00 0.00 173.24 174.39 3a13 n GLY 368 N 0.15 1.69 2.23 9.45 0.00 -1.26 -4.67 105.19 112.79 3a13 n GLY 368 Ca -0.13 -0.78 -0.10 0.00 0.00 0.00 0.00 46.02 45.01 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 0.47 0.61 3.85 -0.02 0.00 -1.26 -2.03 105.19 106.81 3a13 n GLY 369 Ca 0.00 -0.55 -0.36 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.42 4.40 0.29 0.99 1.43 -1.26 -4.52 118.68 117.59 3a13 s LEU 370 Ca 0.00 0.96 0.05 0.00 -1.03 0.00 0.00 54.13 54.11 3a13 s LEU 370 Cb 0.00 -2.93 -0.03 0.00 0.03 0.00 0.00 46.19 43.26 3a13 s LEU 370 CO 0.00 0.21 0.23 -1.38 0.23 0.00 0.00 176.35 175.64 3a13 s HIS 371 N -1.29 1.58 0.52 0.29 -3.43 -1.26 -3.59 115.29 108.11 3a13 s HIS 371 Ca 0.31 -1.57 0.36 0.00 -0.80 0.00 0.00 55.06 53.35 3a13 s HIS 371 Cb -0.16 -0.68 1.93 0.00 -1.43 0.00 0.00 32.58 32.25 3a13 s HIS 371 CO 0.17 -0.79 2.23 -1.35 -2.00 0.00 0.00 174.74 173.00 3a13 h PRO 372 N 2.28 0.00 0.00 -0.38 0.11 -1.93 -1.79 132.00 130.28 3a13 h PRO 372 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3a13 h PRO 372 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3a13 h PRO 372 CO 0.42 0.03 0.00 0.78 -0.21 0.00 0.00 178.00 179.02 3a13 h GLY 373 N 0.43 0.00 -2.01 -0.55 0.00 -1.91 -3.33 103.07 95.70 3a13 h GLY 373 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.23 3a13 h GLY 373 CO 0.00 0.00 -0.76 1.16 0.00 0.00 0.00 176.54 176.94 3a13 n ASN 374 N -2.36 0.72 0.02 0.19 0.23 -0.68 -4.22 115.26 109.15 3a13 n ASN 374 Ca 0.02 -2.15 0.11 0.00 -0.53 0.00 0.00 54.58 52.03 3a13 n ASN 374 Cb 0.26 -0.28 0.03 0.00 -2.08 0.00 0.00 39.78 37.71 3a13 n ASN 374 CO 0.00 0.00 0.00 2.30 -0.93 0.00 0.00 177.26 178.63 3a13 n ILE 375 N 0.14 0.11 -0.24 1.53 -5.35 -1.18 -4.32 119.36 110.06 3a13 n ILE 375 Ca 0.05 -0.17 -0.07 0.00 -0.27 0.00 0.00 62.75 62.29 3a13 n ILE 375 Cb 0.93 0.35 0.04 0.00 -1.74 0.00 0.00 39.64 39.22 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 0.00 1.02 -0.25 6.28 -0.00 -1.87 -1.58 115.11 118.70 3a13 h GLN 376 Ca 0.00 -0.22 -0.08 0.00 -0.00 0.00 0.00 58.65 58.35 3a13 h GLN 376 Cb 0.66 -0.15 -0.01 0.00 0.00 0.00 0.00 27.48 27.98 3a13 h GLN 376 CO 0.00 0.89 -0.18 -1.35 0.00 0.00 0.00 178.83 178.19 3a13 h PRO 377 N 0.95 0.44 0.22 -2.39 0.11 -1.96 -0.94 132.00 128.44 3a13 h PRO 377 Ca 0.21 -0.14 -0.01 0.00 0.11 0.00 0.00 66.00 66.17 3a13 h PRO 377 Cb 0.29 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.37 3a13 h PRO 377 CO -0.01 0.61 -0.11 0.28 -0.21 0.00 0.00 178.00 178.57 3a13 h VAL 378 N 0.40 0.84 0.00 3.15 2.07 -1.64 -2.48 116.25 118.60 3a13 h VAL 378 Ca 0.07 -0.36 -0.08 0.00 0.82 0.00 0.00 66.70 67.15 3a13 h VAL 378 Cb 0.55 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 3a13 h VAL 378 CO 0.04 0.08 -0.36 0.40 0.02 0.00 0.00 177.57 177.75 3a13 h ILE 379 N -0.48 1.18 -0.58 4.57 2.04 -1.16 -0.89 117.51 122.19 3a13 h ILE 379 Ca -0.03 -1.27 -0.11 0.00 1.00 0.00 0.00 64.86 64.45 3a13 h ILE 379 Cb 0.36 1.70 -0.02 0.00 -0.74 0.00 0.00 36.82 38.12 3a13 h ILE 379 CO 0.05 0.35 -0.06 -0.33 0.00 0.00 0.00 178.15 178.16 3a13 h GLU 380 N 0.00 1.06 -0.02 2.37 5.08 -1.13 0.42 114.58 122.36 3a13 h GLU 380 Ca -0.00 -0.37 -0.03 0.00 -1.00 0.00 0.00 59.36 57.96 3a13 h GLU 380 Cb 0.67 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.84 3a13 h GLU 380 CO 0.05 1.07 -0.10 0.00 -1.00 0.00 0.00 179.01 179.03 3a13 h ALA 381 N 0.96 0.04 0.00 3.43 0.00 -0.99 -3.37 119.26 119.34 3a13 h ALA 381 Ca 0.16 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3a13 h ALA 381 Cb 0.63 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3a13 h ALA 381 CO 0.04 -0.06 -1.13 1.28 0.00 0.00 0.00 179.25 179.38 3a13 n LEU 382 N -4.67 0.67 0.00 0.00 4.32 -0.38 -4.90 117.00 112.04 3a13 n LEU 382 Ca -0.09 -0.23 0.00 0.00 -0.02 0.00 0.00 56.01 55.67 3a13 n LEU 382 Cb 0.38 -0.05 0.00 0.00 -1.62 0.00 0.00 43.42 42.13 3a13 n LEU 382 CO 0.36 0.14 0.00 0.61 -1.22 0.00 0.00 177.39 177.28 3a13 n GLY 383 N 1.42 -1.70 0.03 -0.72 0.00 0.15 -4.52 105.19 99.85 3a13 n GLY 383 Ca 0.02 -1.31 0.11 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.38 0.00 -2.00 2.61 -2.24 -1.26 -4.49 114.28 106.52 3a13 n THR 384 Ca 0.00 -0.01 -0.42 0.00 -2.27 0.00 0.00 64.05 61.34 3a13 n THR 384 Cb 0.00 0.75 0.00 0.00 -2.10 0.00 0.00 70.33 68.98 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 -1.41 4.34 -3.75 3.42 8.00 -1.26 -2.87 116.55 123.01 3a13 n ASP 385 Ca 0.05 -2.93 -0.10 0.00 0.71 0.00 0.00 54.79 52.52 3a13 n ASP 385 Cb 0.34 -1.61 -0.06 0.00 -0.02 0.00 0.00 41.12 39.77 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 2.38 0.11 -0.17 0.53 -4.36 -1.26 -4.47 121.20 113.95 3a13 s ILE 386 Ca 0.45 -0.88 -0.07 0.00 -0.26 0.00 0.00 60.65 59.89 3a13 s ILE 386 Cb 0.12 -1.23 -0.04 0.00 1.25 0.00 0.00 42.46 42.56 3a13 s ILE 386 CO -0.05 -0.48 0.07 -0.69 0.24 0.00 0.00 174.94 174.02 3a13 s VAL 387 N -3.72 4.85 -0.16 8.37 1.01 -0.08 -2.03 120.40 128.65 3a13 s VAL 387 Ca 0.03 -0.02 -0.06 0.00 0.00 0.00 0.00 61.98 61.94 3a13 s VAL 387 Cb 0.03 -3.17 -0.04 0.00 0.00 0.00 0.00 36.38 33.20 3a13 s VAL 387 CO -0.11 0.48 0.04 -0.76 0.00 0.00 0.00 175.10 174.76 3a13 s LEU 388 N 0.20 3.74 -0.13 3.92 1.43 0.25 -0.61 118.68 127.48 3a13 s LEU 388 Ca 0.05 0.09 0.02 0.00 -1.03 0.00 0.00 54.13 53.25 3a13 s LEU 388 Cb -0.12 -1.92 -0.00 0.00 0.03 0.00 0.00 46.19 44.17 3a13 s LEU 388 CO 0.00 0.22 -0.19 -1.58 0.23 0.00 0.00 176.35 175.03 3a13 s GLN 389 N 0.10 3.14 -0.32 1.70 -0.44 -0.73 -2.00 119.66 121.11 3a13 s GLN 389 Ca 0.04 -0.81 -0.01 0.00 -2.50 0.00 0.00 55.36 52.08 3a13 s GLN 389 Cb -0.12 -2.47 0.11 0.00 -1.64 0.00 0.00 33.01 28.88 3a13 s GLN 389 CO 0.01 0.10 0.12 -0.51 0.50 0.00 0.00 175.29 175.51 3a13 s LEU 390 N 0.58 1.92 0.00 3.68 1.02 -1.03 -4.21 118.68 120.64 3a13 s LEU 390 Ca -0.11 -1.70 0.00 0.00 0.02 0.00 0.00 54.13 52.34 3a13 s LEU 390 Cb -0.16 -0.77 0.00 0.00 0.02 0.00 0.00 46.19 45.28 3a13 s LEU 390 CO 0.04 -0.40 0.00 0.61 0.02 0.00 0.00 176.35 176.62 3a13 n GLY 391 N 4.75 1.58 0.42 -3.19 0.00 -1.26 -3.32 105.19 104.16 3a13 n GLY 391 Ca -0.01 0.00 0.23 0.00 0.00 0.00 0.00 46.02 46.24 3a13 n GLY 391 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3a13 h GLY 392 N 0.00 0.95 1.53 -0.02 0.00 -1.88 0.87 103.07 104.51 3a13 h GLY 392 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.16 3a13 h GLY 392 CO 0.00 -0.07 0.00 0.61 0.00 0.00 0.00 176.54 177.08 3a13 n GLY 393 N -1.52 -0.73 0.60 4.60 0.00 -1.24 -1.63 105.19 105.26 3a13 n GLY 393 Ca 0.23 -0.07 -0.05 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.26 1.29 0.32 2.61 -1.04 0.26 -4.52 114.28 111.94 3a13 n THR 394 Ca 0.07 0.23 0.04 0.00 -2.04 0.00 0.00 64.05 62.35 3a13 n THR 394 Cb 0.11 -1.92 0.18 0.00 -1.82 0.00 0.00 70.33 66.88 3a13 n THR 394 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3a13 n LEU 395 N -3.91 2.86 -0.64 -4.42 -0.00 -0.97 -2.49 117.00 107.43 3a13 n LEU 395 Ca -0.09 -1.45 0.11 0.00 -0.00 0.00 0.00 56.01 54.59 3a13 n LEU 395 Cb 0.30 -0.49 0.03 0.00 -0.00 0.00 0.00 43.42 43.26 3a13 n LEU 395 CO 0.09 0.44 0.41 0.61 -0.00 0.00 0.00 177.39 178.94 3a13 n GLY 396 N 0.52 0.34 3.70 1.47 0.00 -0.65 -4.64 105.19 105.93 3a13 n GLY 396 Ca 0.13 -0.66 -0.43 0.00 0.00 0.00 0.00 46.02 45.06 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 2.33 -0.06 1.61 -0.00 -1.04 -4.90 115.22 113.58 3a13 n HIS 397 Ca 0.11 0.48 -0.07 0.00 -0.00 0.00 0.00 57.72 58.24 3a13 n HIS 397 Cb 0.51 -2.45 -0.01 0.00 -0.00 0.00 0.00 29.99 28.04 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 3.28 -0.07 0.00 1.57 0.13 -1.92 0.18 132.00 135.18 3a13 h PRO 398 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3a13 h PRO 398 Cb 1.27 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.42 3a13 h PRO 398 CO 0.68 -0.05 0.00 -0.25 -0.23 0.00 0.00 178.00 178.15 3a13 n ASP 399 N -5.28 0.00 0.00 1.44 8.00 -1.26 -4.98 116.55 114.47 3a13 n ASP 399 Ca -0.01 -1.24 0.00 0.00 0.71 0.00 0.00 54.79 54.25 3a13 n ASP 399 Cb 0.20 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.30 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 0.37 -0.46 0.06 0.44 0.00 0.64 -4.44 105.19 101.81 3a13 n GLY 400 Ca 0.07 -1.74 -0.02 0.00 0.00 0.00 0.00 46.02 44.33 3a13 n GLY 400 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3a13 n PRO 401 N -0.47 -0.06 0.16 1.61 -0.02 -1.26 -0.73 135.00 134.22 3a13 n PRO 401 Ca 0.00 0.72 0.15 0.00 -2.02 0.00 0.00 63.50 62.35 3a13 n PRO 401 Cb 0.00 -1.08 0.71 0.00 -0.02 0.00 0.00 33.50 33.12 3a13 n PRO 401 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3a13 h ALA 402 N -0.44 2.12 -0.06 3.55 0.00 -1.87 0.78 119.26 123.34 3a13 h ALA 402 Ca 0.02 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.75 3a13 h ALA 402 Cb 0.06 0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.87 3a13 h ALA 402 CO -0.13 -0.30 -0.63 0.00 0.00 0.00 0.00 179.25 178.19 3a13 h ALA 403 N 1.86 0.15 -0.18 0.00 0.00 -1.15 -2.77 119.26 117.18 3a13 h ALA 403 Ca 0.11 -0.56 0.03 0.00 0.00 0.00 0.00 54.91 54.49 3a13 h ALA 403 Cb 0.47 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 3a13 h ALA 403 CO -0.00 0.43 -0.02 0.78 0.00 0.00 0.00 179.25 180.44 3a13 h GLY 404 N 0.11 0.15 0.60 0.00 0.00 0.34 0.68 103.07 104.95 3a13 h GLY 404 Ca -0.06 0.03 0.01 0.00 0.00 0.00 0.00 47.33 47.31 3a13 h GLY 404 CO 0.13 -0.05 -0.29 0.00 0.00 0.00 0.00 176.54 176.33 3a13 h ALA 405 N 1.16 -0.57 -0.89 3.60 0.00 -1.32 0.83 119.26 122.07 3a13 h ALA 405 Ca 0.08 -0.07 0.16 0.00 0.00 0.00 0.00 54.91 55.08 3a13 h ALA 405 Cb 0.11 0.44 -0.07 0.00 0.00 0.00 0.00 17.79 18.28 3a13 h ALA 405 CO -0.16 -0.86 0.57 0.00 0.00 0.00 0.00 179.25 178.80 3a13 h ARG 406 N -0.57 0.60 0.14 0.00 3.08 -1.25 -1.15 114.38 115.23 3a13 h ARG 406 Ca 0.01 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 3a13 h ARG 406 Cb 0.55 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.47 3a13 h ARG 406 CO -0.10 0.40 -0.07 0.00 -1.07 0.00 0.00 179.97 179.13 3a13 h ALA 407 N 1.61 -0.19 -0.66 0.04 0.00 -0.07 -1.59 119.26 118.39 3a13 h ALA 407 Ca 0.45 -0.17 0.11 0.00 0.00 0.00 0.00 54.91 55.30 3a13 h ALA 407 Cb 0.82 0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.60 3a13 h ALA 407 CO -0.20 -0.45 0.26 0.28 0.00 0.00 0.00 179.25 179.14 3a13 h VAL 408 N -0.50 0.74 0.00 0.00 2.07 -0.11 0.25 116.25 118.69 3a13 h VAL 408 Ca -0.02 -0.15 -0.04 0.00 0.82 0.00 0.00 66.70 67.31 3a13 h VAL 408 Cb 0.39 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 3a13 h VAL 408 CO 0.03 0.08 -0.19 0.03 0.02 0.00 0.00 177.57 177.54 3a13 h ARG 409 N 0.43 0.00 0.08 1.57 2.47 -1.20 -1.29 114.38 116.45 3a13 h ARG 409 Ca 0.34 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 59.06 3a13 h ARG 409 Cb 0.45 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.77 3a13 h ARG 409 CO -0.34 0.19 -0.04 1.96 0.56 0.00 0.00 179.97 182.30 3a13 h GLN 410 N 0.00 -0.10 -0.92 0.04 4.20 0.36 -1.63 115.11 117.06 3a13 h GLN 410 Ca -0.00 0.01 0.19 0.00 0.06 0.00 0.00 58.65 58.91 3a13 h GLN 410 Cb 0.56 0.02 -0.11 0.00 0.30 0.00 0.00 27.48 28.25 3a13 h GLN 410 CO 0.02 0.39 0.49 0.00 -0.67 0.00 0.00 178.83 179.06 3a13 h ALA 411 N 0.15 1.50 -0.24 3.87 0.00 -0.35 0.69 119.26 124.89 3a13 h ALA 411 Ca -0.01 0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 3a13 h ALA 411 Cb 0.54 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3a13 h ALA 411 CO 0.02 -0.19 -0.35 0.82 0.00 0.00 0.00 179.25 179.55 3a13 h ILE 412 N 0.58 1.29 -0.48 0.00 2.04 -1.18 -1.55 117.51 118.20 3a13 h ILE 412 Ca 0.55 -1.47 -0.09 0.00 1.00 0.00 0.00 64.86 64.85 3a13 h ILE 412 Cb 0.93 1.49 -0.02 0.00 -0.74 0.00 0.00 36.82 38.48 3a13 h ILE 412 CO -0.44 0.46 -0.05 0.44 0.00 0.00 0.00 178.15 178.57 3a13 h ASP 413 N 0.44 0.88 -0.55 1.72 3.32 0.04 -1.32 116.42 120.95 3a13 h ASP 413 Ca 0.05 -0.33 -0.01 0.00 0.02 0.00 0.00 57.03 56.76 3a13 h ASP 413 Cb 0.82 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 40.10 3a13 h ASP 413 CO 0.07 1.00 0.31 0.00 -1.72 0.00 0.00 179.24 178.90 3a13 h ALA 414 N 0.91 0.70 -0.16 3.45 0.00 -0.70 -2.57 119.26 120.88 3a13 h ALA 414 Ca 0.13 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3a13 h ALA 414 Cb 0.58 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 3a13 h ALA 414 CO 0.03 0.20 -0.07 0.82 0.00 0.00 0.00 179.25 180.24 3a13 h ILE 415 N 0.73 1.31 -0.10 0.00 2.04 -1.18 -0.69 117.51 119.62 3a13 h ILE 415 Ca 0.19 -1.09 0.03 0.00 1.00 0.00 0.00 64.86 64.99 3a13 h ILE 415 Cb 0.02 1.69 -0.00 0.00 -0.74 0.00 0.00 36.82 37.79 3a13 h ILE 415 CO -0.03 0.32 0.12 0.24 0.00 0.00 0.00 178.15 178.80 3a13 h MET 416 N 0.00 0.00 -0.02 2.37 2.86 -1.18 -2.13 114.93 116.83 3a13 h MET 416 Ca 0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 3a13 h MET 416 Cb 0.53 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.19 3a13 h MET 416 CO 0.02 0.00 -0.03 1.04 1.06 0.00 0.00 176.91 179.00 3a13 n GLN 417 N -3.71 1.38 0.00 1.72 6.02 -0.98 -4.98 117.38 116.83 3a13 n GLN 417 Ca -0.00 -1.44 0.00 0.00 -0.01 0.00 0.00 57.00 55.54 3a13 n GLN 417 Cb 0.23 -1.32 0.00 0.00 1.02 0.00 0.00 30.24 30.17 3a13 n GLN 417 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3a13 n GLY 418 N 0.97 2.95 3.64 1.08 0.00 -0.36 -4.99 105.19 108.48 3a13 n GLY 418 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.70 3.17 0.52 -0.61 1.09 -0.66 -4.94 121.20 118.07 3a13 s ILE 419 Ca 0.00 0.20 -0.21 0.00 -1.10 0.00 0.00 60.65 59.54 3a13 s ILE 419 Cb 0.00 -3.16 -0.08 0.00 -1.06 0.00 0.00 42.46 38.16 3a13 s ILE 419 CO 0.00 -0.05 0.86 -2.65 -0.10 0.00 0.00 174.94 172.99 3a13 n PRO 420 N 7.86 0.96 0.22 2.79 -0.02 -1.26 -4.26 135.00 141.28 3a13 n PRO 420 Ca 0.22 0.36 0.06 0.00 -2.02 0.00 0.00 63.50 62.11 3a13 n PRO 420 Cb 0.43 -1.98 0.49 0.00 -0.02 0.00 0.00 33.50 32.43 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 0.84 0.00 -0.45 2.45 -0.00 -1.92 -1.13 115.31 115.10 3a13 h LEU 421 Ca -0.46 0.00 -0.17 0.00 -0.00 0.00 0.00 57.88 57.25 3a13 h LEU 421 Cb 1.36 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 42.02 3a13 h LEU 421 CO 0.52 0.23 -0.57 0.44 -0.00 0.00 0.00 178.44 179.06 3a13 h ASP 422 N 0.00 0.69 0.48 -0.43 3.32 -2.00 -1.82 116.42 116.66 3a13 h ASP 422 Ca -0.00 -0.38 -0.16 0.00 0.02 0.00 0.00 57.03 56.51 3a13 h ASP 422 Cb 0.43 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 3a13 h ASP 422 CO 0.03 1.12 -0.69 -0.33 -1.72 0.00 0.00 179.24 177.65 3a13 h GLU 423 N 0.47 0.18 0.00 3.56 4.39 -1.74 -3.25 114.58 118.19 3a13 h GLU 423 Ca 0.00 -0.15 -0.12 0.00 0.34 0.00 0.00 59.36 59.44 3a13 h GLU 423 Cb 1.13 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.80 3a13 h GLU 423 CO 0.11 0.80 -0.57 -0.92 -1.16 0.00 0.00 179.01 177.27 3a13 h TYR 424 N 0.13 0.00 0.00 4.33 3.20 -1.16 -3.31 116.97 120.16 3a13 h TYR 424 Ca -0.02 0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.73 3a13 h TYR 424 Cb 1.23 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.48 3a13 h TYR 424 CO 0.02 0.55 -0.57 0.00 -1.64 0.00 0.00 178.16 176.52 3a13 h ALA 425 N 1.45 0.95 0.00 1.82 0.00 -1.36 -3.16 119.26 118.96 3a13 h ALA 425 Ca -0.01 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.38 3a13 h ALA 425 Cb 1.43 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.13 3a13 h ALA 425 CO 0.07 0.72 0.03 0.87 0.00 0.00 0.00 179.25 180.94 3a13 h LYS 426 N 0.00 0.00 -0.04 0.00 1.57 -1.67 0.74 116.57 117.16 3a13 h LYS 426 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3a13 h LYS 426 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.39 3a13 h LYS 426 CO 0.07 0.00 0.00 0.25 -0.57 0.00 0.00 179.45 179.20 3a13 n THR 427 N -2.82 1.88 -3.38 -0.16 -2.24 -1.19 -4.91 114.28 101.45 3a13 n THR 427 Ca -0.02 -2.11 -0.17 0.00 -2.27 0.00 0.00 64.05 59.48 3a13 n THR 427 Cb 0.09 -0.18 -0.09 0.00 -2.10 0.00 0.00 70.33 68.05 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 -2.72 -0.41 0.11 4.78 3.76 0.25 -5.06 115.29 116.00 3a13 s HIS 428 Ca 0.31 -0.44 -0.21 0.00 -0.15 0.00 0.00 55.06 54.57 3a13 s HIS 428 Cb 0.27 -0.42 -0.08 0.00 1.11 0.00 0.00 32.58 33.45 3a13 s HIS 428 CO 0.04 -0.95 1.75 1.57 -0.85 0.00 0.00 174.74 176.30 3a13 h LYS 429 N 7.72 0.13 -0.83 1.40 -0.00 -1.92 -2.04 116.57 121.03 3a13 h LYS 429 Ca -0.05 -0.01 -0.01 0.00 -0.00 0.00 0.00 60.65 60.59 3a13 h LYS 429 Cb 1.07 -0.03 -0.04 0.00 -0.00 0.00 0.00 32.23 33.23 3a13 h LYS 429 CO 0.27 0.09 0.50 0.93 -0.00 0.00 0.00 179.45 181.24 3a13 h GLU 430 N 0.14 1.13 0.32 0.07 3.07 -1.92 0.14 114.58 117.52 3a13 h GLU 430 Ca 0.06 -0.10 -0.02 0.00 -0.50 0.00 0.00 59.36 58.80 3a13 h GLU 430 Cb 0.02 -0.24 0.00 0.00 -0.84 0.00 0.00 28.75 27.69 3a13 h GLU 430 CO -0.04 0.80 -0.15 1.25 -1.40 0.00 0.00 179.01 179.46 3a13 h LEU 431 N 1.15 -0.36 -0.74 1.33 5.85 -1.81 -2.08 115.31 118.65 3a13 h LEU 431 Ca 0.30 -0.08 0.13 0.00 0.84 0.00 0.00 57.88 59.07 3a13 h LEU 431 Cb -0.04 0.09 -0.09 0.00 0.37 0.00 0.00 40.66 40.99 3a13 h LEU 431 CO -0.06 -0.13 0.31 0.00 -0.34 0.00 0.00 178.44 178.22 3a13 h ALA 432 N 0.06 1.04 -0.18 1.25 0.00 -0.72 0.14 119.26 120.85 3a13 h ALA 432 Ca -0.04 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 3a13 h ALA 432 Cb 0.42 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3a13 h ALA 432 CO 0.07 -0.17 -0.14 0.00 0.00 0.00 0.00 179.25 179.01 3a13 h ARG 433 N 0.48 0.30 -0.13 0.00 2.47 -0.68 -0.15 114.38 116.67 3a13 h ARG 433 Ca 0.40 -0.08 -0.07 0.00 -1.26 0.00 0.00 59.98 58.97 3a13 h ARG 433 Cb 0.56 -0.04 -0.00 0.00 -1.65 0.00 0.00 29.97 28.84 3a13 h ARG 433 CO -0.37 0.45 -0.21 0.00 0.56 0.00 0.00 179.97 180.40 3a13 h ALA 434 N 1.58 0.21 -0.98 0.04 0.00 -0.29 -2.72 119.26 117.09 3a13 h ALA 434 Ca 0.06 -0.36 0.18 0.00 0.00 0.00 0.00 54.91 54.78 3a13 h ALA 434 Cb 0.43 -0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.08 3a13 h ALA 434 CO 0.03 0.15 0.61 -0.07 0.00 0.00 0.00 179.25 179.97 3a13 h LEU 435 N -0.02 0.74 -0.58 0.00 4.07 -0.42 -1.29 115.31 117.80 3a13 h LEU 435 Ca 0.01 0.08 -0.07 0.00 0.08 0.00 0.00 57.88 57.98 3a13 h LEU 435 Cb 0.77 -0.06 -0.02 0.00 1.08 0.00 0.00 40.66 42.43 3a13 h LEU 435 CO 0.05 0.30 0.09 -0.08 -1.08 0.00 0.00 178.44 177.72 3a13 h GLU 436 N 0.74 0.95 0.04 1.13 4.81 -0.89 0.57 114.58 121.93 3a13 h GLU 436 Ca 0.54 -0.26 -0.23 0.00 -0.13 0.00 0.00 59.36 59.28 3a13 h GLU 436 Cb 0.87 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 30.14 3a13 h GLU 436 CO -0.31 0.91 -1.02 -0.22 -0.73 0.00 0.00 179.01 177.64 3a13 h LYS 437 N 0.85 0.32 0.00 1.92 3.64 -1.09 -3.40 116.57 118.80 3a13 h LYS 437 Ca 0.17 -0.39 -0.02 0.00 -1.27 0.00 0.00 60.65 59.15 3a13 h LYS 437 Cb 0.42 0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.36 3a13 h LYS 437 CO 0.01 1.11 -1.06 0.91 -2.27 0.00 0.00 179.45 178.15 3a13 n TRP 438 N -3.66 0.00 0.00 1.91 8.01 -0.54 -5.09 117.44 118.06 3a13 n TRP 438 Ca -0.06 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.13 3a13 n TRP 438 Cb 0.89 -0.04 0.00 0.00 -2.01 0.00 0.00 31.31 30.14 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 2.91 3.34 2.03 6.99 0.00 0.20 -2.41 105.19 118.24 3a13 n GLY 439 Ca -0.01 -0.13 -0.19 0.00 0.00 0.00 0.00 46.02 45.69 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 13.66 2.35 -2.41 1.61 8.25 -1.26 -4.05 115.22 133.36 3a13 n HIS 440 Ca 0.00 -2.14 -0.34 0.00 -0.26 0.00 0.00 57.72 54.98 3a13 n HIS 440 Cb 0.00 -0.32 -0.02 0.00 1.12 0.00 0.00 29.99 30.77 3a13 n HIS 440 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3a13 s VAL 441 N -4.36 3.68 -0.41 1.59 0.11 -1.01 -4.86 120.40 115.13 3a13 s VAL 441 Ca 0.47 1.00 -0.07 0.00 -2.93 0.00 0.00 61.98 60.45 3a13 s VAL 441 Cb 0.40 -3.41 0.09 0.00 -1.53 0.00 0.00 36.38 31.93 3a13 s VAL 441 CO 0.02 -0.27 0.24 -0.89 -3.33 0.00 0.00 175.10 170.87 3a13 s THR 442 N -2.03 3.90 0.44 5.04 2.01 -1.26 -4.77 115.64 118.96 3a13 s THR 442 Ca 0.68 -1.61 -0.24 0.00 0.31 0.00 0.00 61.69 60.83 3a13 s THR 442 Cb -0.18 -3.47 -0.08 0.00 0.01 0.00 0.00 72.50 68.79 3a13 s THR 442 CO 0.24 -0.56 1.16 -2.84 -0.69 0.00 0.00 174.62 171.94 3a13 s PRO 443 N 1.33 3.87 0.00 4.92 0.02 -1.26 -4.97 135.00 138.92 3a13 s PRO 443 Ca 0.04 1.79 0.00 0.00 0.02 0.00 0.00 61.00 62.85 3a13 s PRO 443 Cb -0.23 -2.50 0.00 0.00 0.02 0.00 0.00 34.50 31.79 3a13 s PRO 443 CO -0.00 -0.46 0.01 0.28 -0.33 0.00 0.00 177.00 176.51