#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a13 h TYR 9 N 0.00 0.00 0.00 9.51 0.05 -1.90 -3.34 116.97 121.29 3a13 h TYR 9 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3a13 h TYR 9 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 3a13 h TYR 9 CO 0.00 0.00 0.00 0.22 -1.05 0.00 0.00 178.16 177.33 3a13 h ASP 10 N 0.00 0.00 0.37 3.88 -0.00 -1.89 -1.69 116.42 117.08 3a13 h ASP 10 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 57.03 56.99 3a13 h ASP 10 Cb 0.90 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 40.22 3a13 h ASP 10 CO 0.00 0.00 -0.18 0.22 -0.00 0.00 0.00 179.24 179.28 3a13 h TYR 11 N 0.00 0.00 -0.06 0.28 3.20 -1.96 -3.03 116.97 115.40 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 0.38 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.65 3a13 h TYR 11 CO 0.00 0.18 0.00 0.66 -1.64 0.00 0.00 178.16 177.36 3a13 n TYR 12 N -3.82 0.07 -3.81 -3.82 4.01 -0.63 -4.72 117.16 104.43 3a13 n TYR 12 Ca -0.02 -0.03 -0.36 0.00 -0.16 0.00 0.00 57.90 57.33 3a13 n TYR 12 Cb 0.28 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.19 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 -1.93 4.58 -0.35 -0.72 1.01 -1.15 -0.43 120.40 121.42 3a13 s VAL 13 Ca 0.36 -0.09 0.02 0.00 0.00 0.00 0.00 61.98 62.27 3a13 s VAL 13 Cb 0.20 -3.13 0.15 0.00 0.00 0.00 0.00 36.38 33.60 3a13 s VAL 13 CO 0.31 0.36 0.33 -0.62 0.00 0.00 0.00 175.10 175.48 3a13 s ASP 14 N 1.30 1.64 0.11 3.32 -1.08 -0.25 -4.90 116.67 116.81 3a13 s ASP 14 Ca 0.05 -1.53 0.22 0.00 -0.52 0.00 0.00 52.55 50.77 3a13 s ASP 14 Cb -0.15 0.36 0.88 0.00 -1.46 0.00 0.00 42.92 42.55 3a13 s ASP 14 CO 0.04 -0.30 1.68 0.29 0.52 0.00 0.00 175.17 177.40 3a13 n LYS 15 N 4.43 0.10 0.12 4.34 5.02 -1.25 -2.16 118.16 128.76 3a13 n LYS 15 Ca 0.08 0.25 -0.01 0.00 -2.02 0.00 0.00 58.31 56.61 3a13 n LYS 15 Cb 0.44 -1.66 0.07 0.00 -0.02 0.00 0.00 35.03 33.85 3a13 n LYS 15 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 3a13 h GLY 16 N 3.21 0.00 -4.58 0.72 0.00 -1.91 -3.46 103.07 97.04 3a13 h GLY 16 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.78 3a13 h GLY 16 CO 0.00 0.00 0.83 2.98 0.00 0.00 0.00 176.54 180.35 3a13 n TYR 17 N -3.48 2.57 -4.07 5.60 9.36 -0.92 -5.00 117.16 121.23 3a13 n TYR 17 Ca 0.00 0.25 -0.35 0.00 3.32 0.00 0.00 57.90 61.12 3a13 n TYR 17 Cb 0.74 -2.57 -0.14 0.00 -0.63 0.00 0.00 39.34 36.74 3a13 n TYR 17 CO 0.00 0.00 0.00 -1.21 0.22 0.00 0.00 176.86 175.87 3a13 s GLU 18 N 0.14 3.43 0.66 2.98 2.02 -1.26 -4.90 118.70 121.77 3a13 s GLU 18 Ca 0.70 -0.61 -0.14 0.00 0.02 0.00 0.00 54.97 54.94 3a13 s GLU 18 Cb -0.57 -2.97 -0.00 0.00 0.10 0.00 0.00 34.13 30.69 3a13 s GLU 18 CO 0.43 -0.09 1.08 -1.25 0.02 0.00 0.00 175.26 175.45 3a13 s PRO 19 N 1.21 2.91 -0.22 0.39 0.04 -1.26 -5.02 135.00 133.04 3a13 s PRO 19 Ca 0.03 1.23 -0.11 0.00 0.04 0.00 0.00 61.00 62.18 3a13 s PRO 19 Cb -0.14 -1.98 -0.05 0.00 0.04 0.00 0.00 34.50 32.37 3a13 s PRO 19 CO -0.01 -1.14 0.19 0.45 0.04 0.00 0.00 177.00 176.52 3a13 s SER 20 N -2.95 6.19 0.55 6.66 0.15 -1.26 -4.98 113.70 118.05 3a13 s SER 20 Ca 0.64 0.20 0.28 0.00 0.70 0.00 0.00 55.95 57.77 3a13 s SER 20 Cb -0.17 -2.12 1.58 0.00 -1.71 0.00 0.00 66.02 63.60 3a13 s SER 20 CO 0.44 0.08 2.13 0.11 1.20 0.00 0.00 173.24 177.20 3a13 h LYS 21 N 7.28 0.00 0.00 5.44 1.57 -1.95 -1.31 116.57 127.60 3a13 h LYS 21 Ca -0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.39 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 0.69 0.08 -1.56 1.63 -0.57 0.00 0.00 179.45 179.72 3a13 n LYS 22 N -3.68 0.62 -0.00 3.15 4.76 -1.26 -4.51 118.16 117.23 3a13 n LYS 22 Ca -0.02 -0.06 0.01 0.00 -2.87 0.00 0.00 58.31 55.37 3a13 n LYS 22 Cb 0.19 -1.64 -0.03 0.00 -1.84 0.00 0.00 35.03 31.71 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 -2.40 0.55 -3.99 1.97 1.74 -1.09 -4.62 116.66 108.82 3a13 n ARG 23 Ca -0.02 -0.03 -0.35 0.00 -0.77 0.00 0.00 57.85 56.68 3a13 n ARG 23 Cb 0.55 -1.09 -0.10 0.00 -1.02 0.00 0.00 32.46 30.81 3a13 n ARG 23 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3a13 s ASP 24 N -2.57 5.62 0.18 0.55 1.01 -0.51 -1.15 116.67 119.79 3a13 s ASP 24 Ca -0.01 0.07 -0.27 0.00 0.71 0.00 0.00 52.55 53.05 3a13 s ASP 24 Cb 0.02 -1.96 -0.08 0.00 1.01 0.00 0.00 42.92 41.91 3a13 s ASP 24 CO 0.16 0.16 0.83 -0.63 0.21 0.00 0.00 175.17 175.90 3a13 s ILE 25 N 0.44 4.31 -0.10 0.77 1.01 0.20 -4.19 121.20 123.63 3a13 s ILE 25 Ca 0.03 1.83 0.02 0.00 0.00 0.00 0.00 60.65 62.53 3a13 s ILE 25 Cb -0.13 -4.20 0.01 0.00 0.01 0.00 0.00 42.46 38.16 3a13 s ILE 25 CO 0.00 0.50 -0.16 -0.63 0.00 0.00 0.00 174.94 174.65 3a13 s ILE 26 N -1.03 1.52 -0.21 2.92 1.01 -1.04 0.58 121.20 124.95 3a13 s ILE 26 Ca 0.38 -0.67 -0.10 0.00 0.00 0.00 0.00 60.65 60.26 3a13 s ILE 26 Cb -0.24 -1.37 -0.05 0.00 0.01 0.00 0.00 42.46 40.81 3a13 s ILE 26 CO 0.28 0.44 0.13 0.00 0.00 0.00 0.00 174.94 175.79 3a13 s ALA 27 N 0.87 3.64 -0.36 9.38 0.00 0.15 -0.57 121.76 134.87 3a13 s ALA 27 Ca -0.09 -0.76 -0.12 0.00 0.00 0.00 0.00 51.96 50.99 3a13 s ALA 27 Cb -0.15 -2.19 0.00 0.00 0.00 0.00 0.00 23.12 20.78 3a13 s ALA 27 CO 0.00 0.05 0.23 0.08 0.00 0.00 0.00 175.76 176.12 3a13 s VAL 28 N 0.57 4.98 -0.01 0.00 1.01 -0.08 -1.35 120.40 125.52 3a13 s VAL 28 Ca 0.07 -0.50 0.04 0.00 0.00 0.00 0.00 61.98 61.60 3a13 s VAL 28 Cb -0.12 -3.65 -0.03 0.00 0.00 0.00 0.00 36.38 32.58 3a13 s VAL 28 CO 0.00 -0.11 -0.12 -0.36 0.00 0.00 0.00 175.10 174.51 3a13 s PHE 29 N 1.65 2.74 -0.44 5.22 0.08 -0.29 0.11 117.98 127.05 3a13 s PHE 29 Ca 0.05 -0.13 -0.18 0.00 0.12 0.00 0.00 56.93 56.78 3a13 s PHE 29 Cb -0.18 -1.59 0.03 0.00 -0.57 0.00 0.00 43.02 40.71 3a13 s PHE 29 CO 0.09 0.27 0.50 0.50 -0.10 0.00 0.00 175.22 176.48 3a13 s ARG 30 N -1.12 3.12 -0.18 0.44 3.52 0.10 -0.21 118.95 124.62 3a13 s ARG 30 Ca 0.14 -0.75 -0.06 0.00 -0.13 0.00 0.00 55.73 54.93 3a13 s ARG 30 Cb -0.11 -4.00 -0.04 0.00 -1.56 0.00 0.00 34.95 29.25 3a13 s ARG 30 CO 0.04 -0.95 0.04 0.08 -0.81 0.00 0.00 175.30 173.70 3a13 s VAL 31 N 2.31 4.52 -0.31 7.11 1.01 0.19 -1.91 120.40 133.31 3a13 s VAL 31 Ca 0.14 -0.13 0.01 0.00 0.00 0.00 0.00 61.98 62.01 3a13 s VAL 31 Cb -0.17 -3.03 0.08 0.00 0.00 0.00 0.00 36.38 33.25 3a13 s VAL 31 CO 0.14 0.46 0.01 -0.89 0.00 0.00 0.00 175.10 174.81 3a13 s THR 32 N 0.48 2.53 0.52 3.92 2.01 -0.33 -0.79 115.64 123.99 3a13 s THR 32 Ca 0.01 -1.87 -0.22 0.00 0.31 0.00 0.00 61.69 59.93 3a13 s THR 32 Cb -0.13 -2.64 -0.05 0.00 0.01 0.00 0.00 72.50 69.69 3a13 s THR 32 CO 0.01 -0.32 1.29 -2.84 -0.69 0.00 0.00 174.62 172.08 3a13 s PRO 33 N 1.07 3.31 0.89 4.92 0.02 -1.26 -0.20 135.00 143.76 3a13 s PRO 33 Ca 0.01 2.08 -0.11 0.00 0.02 0.00 0.00 61.00 63.00 3a13 s PRO 33 Cb -0.20 -2.29 0.13 0.00 0.02 0.00 0.00 34.50 32.16 3a13 s PRO 33 CO -0.05 -1.00 1.11 0.00 -0.33 0.00 0.00 177.00 176.73 3a13 s ALA 34 N -1.39 1.55 0.17 -1.55 0.00 -0.29 -4.17 121.76 116.08 3a13 s ALA 34 Ca 0.69 0.36 -0.32 0.00 0.00 0.00 0.00 51.96 52.70 3a13 s ALA 34 Cb -0.36 -3.35 -0.10 0.00 0.00 0.00 0.00 23.12 19.30 3a13 s ALA 34 CO 0.43 -2.51 1.61 -1.21 0.00 0.00 0.00 175.76 174.09 3a13 s GLU 35 N -4.74 4.19 0.00 0.00 8.01 -1.26 -2.23 118.70 122.67 3a13 s GLU 35 Ca 0.65 2.42 0.00 0.00 0.01 0.00 0.00 54.97 58.05 3a13 s GLU 35 Cb -0.21 -3.16 0.00 0.00 -4.31 0.00 0.00 34.13 26.45 3a13 s GLU 35 CO 0.58 -0.65 0.00 0.41 0.01 0.00 0.00 175.26 175.61 3a13 n GLY 36 N 3.83 0.69 3.29 -1.39 0.00 -1.26 -5.07 105.19 105.27 3a13 n GLY 36 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.30 2.15 0.70 1.61 2.02 -0.95 -5.13 117.35 115.45 3a13 s TYR 37 Ca 0.00 -0.40 -0.11 0.00 -0.37 0.00 0.00 57.07 56.18 3a13 s TYR 37 Cb 0.00 -1.35 0.01 0.00 -0.40 0.00 0.00 41.96 40.23 3a13 s TYR 37 CO 0.00 0.02 1.08 0.95 -1.57 0.00 0.00 175.55 176.03 3a13 s THR 38 N -0.65 3.79 0.38 -0.71 -4.23 -1.26 -4.71 115.64 108.24 3a13 s THR 38 Ca 0.10 0.58 0.06 0.00 -1.18 0.00 0.00 61.69 61.25 3a13 s THR 38 Cb -0.09 -3.49 0.28 0.00 1.34 0.00 0.00 72.50 70.54 3a13 s THR 38 CO 0.00 -0.76 2.00 -0.29 -0.54 0.00 0.00 174.62 175.03 3a13 h ILE 39 N -0.67 1.07 -0.49 2.99 6.09 -1.98 -1.71 117.51 122.81 3a13 h ILE 39 Ca -0.45 -0.24 -0.10 0.00 -1.37 0.00 0.00 64.86 62.70 3a13 h ILE 39 Cb 1.23 0.30 -0.02 0.00 0.47 0.00 0.00 36.82 38.81 3a13 h ILE 39 CO 0.61 0.13 -0.10 -0.33 -3.07 0.00 0.00 178.15 175.39 3a13 h GLU 40 N 0.70 0.93 -0.79 2.19 3.07 -1.98 0.34 114.58 119.04 3a13 h GLU 40 Ca 0.25 -0.35 -0.01 0.00 -0.50 0.00 0.00 59.36 58.75 3a13 h GLU 40 Cb 0.11 -0.06 -0.04 0.00 -0.84 0.00 0.00 28.75 27.93 3a13 h GLU 40 CO -0.07 1.00 0.46 1.96 -1.40 0.00 0.00 179.01 180.96 3a13 h GLN 41 N 0.78 1.09 0.22 2.33 4.20 -1.82 0.50 115.11 122.40 3a13 h GLN 41 Ca 0.13 -0.11 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 3a13 h GLN 41 Cb 0.65 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 28.21 3a13 h GLN 41 CO 0.04 0.78 -0.10 0.00 -0.67 0.00 0.00 178.83 178.88 3a13 h ALA 42 N 1.24 -0.29 -0.88 3.87 0.00 -0.93 -2.37 119.26 119.90 3a13 h ALA 42 Ca 0.28 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 55.03 3a13 h ALA 42 Cb -0.01 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 3a13 h ALA 42 CO -0.05 -0.45 0.58 0.00 0.00 0.00 0.00 179.25 179.33 3a13 h ALA 43 N -0.08 1.44 -0.67 0.00 0.00 -0.35 -1.66 119.26 117.93 3a13 h ALA 43 Ca -0.03 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.84 3a13 h ALA 43 Cb 0.49 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3a13 h ALA 43 CO 0.05 0.48 0.44 0.78 0.00 0.00 0.00 179.25 181.00 3a13 h GLY 44 N 1.12 0.95 1.06 0.00 0.00 -0.88 -0.61 103.07 104.71 3a13 h GLY 44 Ca 0.35 -0.36 -0.06 0.00 0.00 0.00 0.00 47.33 47.25 3a13 h GLY 44 CO -0.10 0.35 0.21 0.00 0.00 0.00 0.00 176.54 177.00 3a13 h ALA 45 N 1.24 0.96 -0.08 3.60 0.00 -0.86 -0.29 119.26 123.84 3a13 h ALA 45 Ca 0.25 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3a13 h ALA 45 Cb -0.10 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.41 3a13 h ALA 45 CO -0.05 0.66 0.02 0.28 0.00 0.00 0.00 179.25 180.16 3a13 h VAL 46 N 1.09 1.19 -0.94 0.00 2.07 -0.88 -0.87 116.25 117.91 3a13 h VAL 46 Ca 0.23 -0.56 0.03 0.00 0.82 0.00 0.00 66.70 67.22 3a13 h VAL 46 Cb 0.34 1.42 -0.05 0.00 -1.52 0.00 0.00 31.29 31.47 3a13 h VAL 46 CO -0.00 0.16 0.61 0.00 0.02 0.00 0.00 177.57 178.36 3a13 h ALA 47 N 0.81 1.24 0.21 1.67 0.00 -1.06 -2.22 119.26 119.92 3a13 h ALA 47 Ca 0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3a13 h ALA 47 Cb 0.23 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3a13 h ALA 47 CO -0.00 0.50 -0.10 0.00 0.00 0.00 0.00 179.25 179.64 3a13 h ALA 48 N 1.38 -0.29 0.00 0.00 0.00 -0.87 -2.92 119.26 116.57 3a13 h ALA 48 Ca 0.37 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3a13 h ALA 48 Cb -0.01 0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3a13 h ALA 48 CO -0.12 -0.51 0.00 0.39 0.00 0.00 0.00 179.25 179.02 3a13 n GLU 49 N -5.08 0.10 -0.24 0.00 -0.58 -0.35 -0.76 120.64 113.73 3a13 n GLU 49 Ca -0.09 0.23 0.10 0.00 -0.42 0.00 0.00 57.16 56.98 3a13 n GLU 49 Cb 0.23 -1.65 0.23 0.00 -0.57 0.00 0.00 31.44 29.68 3a13 n GLU 49 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 3a13 n SER 50 N -1.82 3.40 0.00 1.62 3.41 -0.84 -4.80 113.62 114.58 3a13 n SER 50 Ca 0.04 -1.96 0.00 0.00 -0.26 0.00 0.00 58.87 56.69 3a13 n SER 50 Cb 0.27 -0.32 0.00 0.00 -0.26 0.00 0.00 64.21 63.90 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 1.23 0.00 -0.08 4.04 3.41 -0.95 -4.53 113.62 116.74 3a13 n SER 51 Ca 0.18 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.80 3a13 n SER 51 Cb 0.54 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.50 3a13 n SER 51 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3a13 n THR 52 N 0.00 0.00 -3.37 6.66 -2.24 -1.14 -5.02 114.28 109.18 3a13 n THR 52 Ca 0.00 -0.49 -0.21 0.00 -2.27 0.00 0.00 64.05 61.08 3a13 n THR 52 Cb 0.00 1.04 0.01 0.00 -2.10 0.00 0.00 70.33 69.27 3a13 n THR 52 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3a13 s GLY 53 N -0.29 2.04 0.04 3.38 0.00 0.06 -5.05 107.32 107.50 3a13 s GLY 53 Ca 0.02 -1.79 0.00 0.00 0.00 0.00 0.00 44.72 42.95 3a13 s GLY 53 CO 0.03 -1.69 0.06 -0.37 0.00 0.00 0.00 173.10 171.13 3a13 n THR 54 N -1.83 0.00 0.34 0.90 5.66 -1.26 -4.41 114.28 113.68 3a13 n THR 54 Ca 0.07 -0.24 0.13 0.00 -3.05 0.00 0.00 64.05 60.96 3a13 n THR 54 Cb 0.62 0.14 0.36 0.00 -1.55 0.00 0.00 70.33 69.89 3a13 n THR 54 CO 0.00 0.00 0.00 4.11 -3.05 0.00 0.00 175.07 176.13 3a13 h TRP 55 N 1.13 0.00 -3.24 1.09 5.08 -1.99 -3.46 115.95 114.56 3a13 h TRP 55 Ca -0.03 0.00 -0.39 0.00 1.08 0.00 0.00 58.89 59.55 3a13 h TRP 55 Cb 0.15 0.00 -0.14 0.00 -3.00 0.00 0.00 29.16 26.17 3a13 h TRP 55 CO 0.00 0.00 -0.66 -0.08 -1.28 0.00 0.00 178.44 176.42 3a13 s THR 56 N -3.29 1.11 0.50 0.12 -1.32 -1.26 -4.83 115.64 106.66 3a13 s THR 56 Ca 0.06 -2.05 -0.21 0.00 -1.21 0.00 0.00 61.69 58.29 3a13 s THR 56 Cb 0.08 -2.33 -0.07 0.00 -1.51 0.00 0.00 72.50 68.67 3a13 s THR 56 CO 0.60 -0.34 1.11 0.42 -2.21 0.00 0.00 174.62 174.21 3a13 s THR 57 N -3.37 3.32 0.14 5.08 -4.23 -1.26 -5.04 115.64 110.28 3a13 s THR 57 Ca 0.28 0.88 0.10 0.00 -1.18 0.00 0.00 61.69 61.77 3a13 s THR 57 Cb 0.05 -3.39 -0.04 0.00 1.34 0.00 0.00 72.50 70.46 3a13 s THR 57 CO 0.09 -0.12 -0.21 -0.76 -0.54 0.00 0.00 174.62 173.08 3a13 s LEU 58 N -3.42 2.58 0.46 4.79 1.43 -1.26 -5.12 118.68 118.13 3a13 s LEU 58 Ca 0.68 -0.68 -0.24 0.00 -1.03 0.00 0.00 54.13 52.87 3a13 s LEU 58 Cb -0.24 -1.39 -0.07 0.00 0.03 0.00 0.00 46.19 44.52 3a13 s LEU 58 CO 0.28 0.16 1.25 -0.31 0.23 0.00 0.00 176.35 177.96 3a13 s TYR 59 N -1.29 2.73 -0.55 0.29 1.51 -1.26 -4.97 117.35 113.81 3a13 s TYR 59 Ca 0.18 1.46 -0.25 0.00 -1.01 0.00 0.00 57.07 57.46 3a13 s TYR 59 Cb -0.10 -3.57 0.04 0.00 -0.11 0.00 0.00 41.96 38.22 3a13 s TYR 59 CO 0.10 -2.00 0.96 -1.25 -1.11 0.00 0.00 175.55 172.24 3a13 s PRO 60 N -2.58 3.36 0.00 -1.71 0.04 -1.26 -4.77 135.00 128.07 3a13 s PRO 60 Ca 0.63 -0.19 0.00 0.00 0.04 0.00 0.00 61.00 61.48 3a13 s PRO 60 Cb -0.34 -4.04 0.00 0.00 0.04 0.00 0.00 34.50 30.16 3a13 s PRO 60 CO 0.42 -1.48 0.65 -2.67 0.04 0.00 0.00 177.00 173.96 3a13 n TRP 61 N 7.51 0.00 -4.32 0.56 4.27 -1.26 -5.05 117.44 119.15 3a13 n TRP 61 Ca 0.03 -0.19 -0.17 0.00 -3.89 0.00 0.00 57.50 53.28 3a13 n TRP 61 Cb 0.48 -0.02 -0.10 0.00 -1.36 0.00 0.00 31.31 30.31 3a13 n TRP 61 CO 0.00 0.00 0.00 1.52 -2.29 0.00 0.00 177.69 176.92 3a13 s TYR 62 N -0.37 1.54 -0.19 -2.67 -0.85 -1.26 -5.09 117.35 108.46 3a13 s TYR 62 Ca 0.00 -0.82 -0.29 0.00 -0.52 0.00 0.00 57.07 55.44 3a13 s TYR 62 Cb 0.00 -0.85 -0.03 0.00 0.38 0.00 0.00 41.96 41.46 3a13 s TYR 62 CO 0.00 0.07 1.66 -2.00 -1.52 0.00 0.00 175.55 173.76 3a13 s GLU 63 N -3.80 3.83 0.19 -3.49 2.12 -1.26 -4.89 118.70 111.40 3a13 s GLU 63 Ca 0.25 1.79 -0.12 0.00 0.36 0.00 0.00 54.97 57.25 3a13 s GLU 63 Cb 0.04 -4.05 0.12 0.00 0.26 0.00 0.00 34.13 30.50 3a13 s GLU 63 CO 0.07 -1.26 1.86 0.37 -0.54 0.00 0.00 175.26 175.76 3a13 h GLN 64 N 10.78 0.87 -0.51 4.30 5.75 -2.00 -2.58 115.11 131.73 3a13 h GLN 64 Ca -0.35 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.08 3a13 h GLN 64 Cb 1.16 -0.19 -0.03 0.00 1.07 0.00 0.00 27.48 29.49 3a13 h GLN 64 CO 0.99 0.58 0.26 1.05 -2.65 0.00 0.00 178.83 179.05 3a13 h GLU 65 N 0.89 0.71 -0.05 1.69 9.09 -1.99 -0.77 114.58 124.14 3a13 h GLU 65 Ca 0.24 -0.08 -0.02 0.00 0.05 0.00 0.00 59.36 59.55 3a13 h GLU 65 Cb -0.10 -0.14 -0.00 0.00 -1.65 0.00 0.00 28.75 26.86 3a13 h GLU 65 CO -0.05 0.54 -0.04 -0.09 0.05 0.00 0.00 179.01 179.42 3a13 h ARG 66 N 0.71 0.12 -0.41 1.06 2.43 -1.89 -1.74 114.38 114.66 3a13 h ARG 66 Ca 0.18 -0.06 0.09 0.00 -0.81 0.00 0.00 59.98 59.38 3a13 h ARG 66 Cb 0.06 -0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 29.52 3a13 h ARG 66 CO -0.03 0.54 -0.16 2.35 -1.51 0.00 0.00 179.97 181.16 3a13 h TRP 67 N -0.30 -0.38 -0.45 2.20 7.01 -1.20 -2.03 115.95 120.79 3a13 h TRP 67 Ca 0.01 0.04 -0.06 0.00 2.11 0.00 0.00 58.89 60.99 3a13 h TRP 67 Cb 0.51 0.23 -0.02 0.00 -2.10 0.00 0.00 29.16 27.78 3a13 h TRP 67 CO 0.08 -0.24 0.02 0.00 -2.79 0.00 0.00 178.44 175.51 3a13 h ALA 68 N 1.27 1.19 0.00 2.65 0.00 -1.12 -2.53 119.26 120.71 3a13 h ALA 68 Ca 0.20 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3a13 h ALA 68 Cb 0.38 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3a13 h ALA 68 CO -0.47 0.53 -0.20 0.22 0.00 0.00 0.00 179.25 179.33 3a13 h ASP 69 N 0.68 0.00 -0.02 0.00 3.58 -0.63 -2.91 116.42 117.13 3a13 h ASP 69 Ca 0.14 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.59 3a13 h ASP 69 Cb 0.40 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.45 3a13 h ASP 69 CO 0.01 0.20 -0.17 0.18 -2.88 0.00 0.00 179.24 176.59 3a13 n LEU 70 N -3.87 2.55 -4.75 2.28 4.77 -0.88 -4.87 117.00 112.23 3a13 n LEU 70 Ca -0.02 -0.88 -0.40 0.00 -0.03 0.00 0.00 56.01 54.68 3a13 n LEU 70 Cb 0.30 -0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.34 3a13 n LEU 70 CO 0.34 0.44 0.77 -0.44 -1.33 0.00 0.00 177.39 177.16 3a13 s SER 71 N -2.18 7.33 0.74 -1.43 0.01 -1.06 -4.74 113.70 112.37 3a13 s SER 71 Ca 0.25 2.15 -0.11 0.00 1.31 0.00 0.00 55.95 59.55 3a13 s SER 71 Cb 0.19 -2.62 0.04 0.00 0.21 0.00 0.00 66.02 63.85 3a13 s SER 71 CO 0.40 -0.12 1.08 0.00 0.41 0.00 0.00 173.24 175.01 3a13 s ALA 72 N -0.83 2.45 -0.07 1.44 0.00 -1.26 -4.80 121.76 118.69 3a13 s ALA 72 Ca 0.46 0.00 0.01 0.00 0.00 0.00 0.00 51.96 52.42 3a13 s ALA 72 Cb -0.30 -3.16 0.02 0.00 0.00 0.00 0.00 23.12 19.68 3a13 s ALA 72 CO 0.37 -1.49 -0.06 0.15 0.00 0.00 0.00 175.76 174.74 3a13 s LYS 73 N -5.06 1.09 -0.45 0.00 -0.14 -0.41 -4.77 119.74 110.00 3a13 s LYS 73 Ca 0.59 -0.15 -0.27 0.00 -1.36 0.00 0.00 55.97 54.79 3a13 s LYS 73 Cb -0.15 -1.12 0.03 0.00 -1.68 0.00 0.00 37.83 34.91 3a13 s LYS 73 CO 0.55 -0.14 0.99 0.00 -0.76 0.00 0.00 175.35 175.99 3a13 s ALA 74 N 1.23 3.24 0.00 5.17 0.00 0.43 -0.22 121.76 131.61 3a13 s ALA 74 Ca -0.05 -0.64 0.00 0.00 0.00 0.00 0.00 51.96 51.26 3a13 s ALA 74 Cb -0.14 -3.71 0.00 0.00 0.00 0.00 0.00 23.12 19.27 3a13 s ALA 74 CO -0.02 -2.05 0.00 2.48 0.00 0.00 0.00 175.76 176.17 3a13 n TYR 75 N 7.32 0.00 -3.79 0.00 0.18 -0.31 -1.09 117.16 119.47 3a13 n TYR 75 Ca 0.08 0.00 -0.17 0.00 1.88 0.00 0.00 57.90 59.69 3a13 n TYR 75 Cb 0.49 0.00 -0.16 0.00 -0.38 0.00 0.00 39.34 39.28 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 -1.48 0.43 -0.10 9.48 2.15 -1.19 -4.42 116.67 121.53 3a13 s ASP 76 Ca 0.00 0.03 0.03 0.00 0.43 0.00 0.00 52.55 53.04 3a13 s ASP 76 Cb 0.00 -0.13 0.01 0.00 -0.30 0.00 0.00 42.92 42.49 3a13 s ASP 76 CO 0.00 -0.15 -0.21 -0.36 -0.17 0.00 0.00 175.17 174.28 3a13 s PHE 77 N 1.32 2.37 -0.15 -5.34 0.08 -1.26 -1.11 117.98 113.89 3a13 s PHE 77 Ca -0.06 -1.03 0.01 0.00 0.12 0.00 0.00 56.93 55.97 3a13 s PHE 77 Cb -0.13 -1.61 0.02 0.00 -0.57 0.00 0.00 43.02 40.73 3a13 s PHE 77 CO -0.03 -0.44 -0.16 -1.58 -0.10 0.00 0.00 175.22 172.91 3a13 s HIS 78 N 0.54 2.32 -0.22 0.36 5.65 -0.00 -4.98 115.29 118.96 3a13 s HIS 78 Ca -0.15 -1.29 -0.29 0.00 0.25 0.00 0.00 55.06 53.58 3a13 s HIS 78 Cb -0.17 -1.66 -0.01 0.00 -1.18 0.00 0.00 32.58 29.55 3a13 s HIS 78 CO 0.05 -0.67 1.39 0.34 -0.65 0.00 0.00 174.74 175.20 3a13 s ASP 79 N 1.32 6.70 0.24 9.88 2.15 -1.26 -0.81 116.67 134.90 3a13 s ASP 79 Ca 0.02 1.55 0.25 0.00 0.43 0.00 0.00 52.55 54.80 3a13 s ASP 79 Cb -0.13 -2.54 0.58 0.00 -0.30 0.00 0.00 42.92 40.53 3a13 s ASP 79 CO -0.09 -1.00 1.62 0.24 -0.17 0.00 0.00 175.17 175.77 3a13 h MET 80 N 9.25 0.00 0.00 4.34 2.86 -1.60 -3.48 114.93 126.30 3a13 h MET 80 Ca -0.29 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.35 3a13 h MET 80 Cb 1.12 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.78 3a13 h MET 80 CO 1.00 0.00 0.00 0.41 1.06 0.00 0.00 176.91 179.38 3a13 n GLY 81 N 1.26 2.24 0.99 8.32 0.00 -1.25 -4.84 105.19 111.92 3a13 n GLY 81 Ca 0.04 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.15 3a13 n GLY 81 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3a13 n ASP 82 N 0.00 3.42 0.00 1.61 5.68 -1.26 -4.90 116.55 121.11 3a13 n ASP 82 Ca 0.00 -1.99 0.00 0.00 -0.50 0.00 0.00 54.79 52.30 3a13 n ASP 82 Cb 0.00 -0.35 0.00 0.00 -1.14 0.00 0.00 41.12 39.63 3a13 n ASP 82 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3a13 n GLY 83 N 1.09 0.95 3.71 6.12 0.00 -1.26 -5.08 105.19 110.72 3a13 n GLY 83 Ca 0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.84 4.84 0.01 1.61 1.04 -1.26 -4.39 113.70 113.71 3a13 s SER 84 Ca 0.00 -0.56 0.02 0.00 0.48 0.00 0.00 55.95 55.89 3a13 s SER 84 Cb 0.00 -0.98 -0.01 0.00 0.10 0.00 0.00 66.02 65.13 3a13 s SER 84 CO 0.00 -0.07 -0.06 0.26 0.98 0.00 0.00 173.24 174.35 3a13 s TRP 85 N -2.29 0.55 -0.39 5.02 0.52 0.03 -1.38 118.94 120.99 3a13 s TRP 85 Ca 0.33 -0.20 -0.24 0.00 0.02 0.00 0.00 56.10 56.00 3a13 s TRP 85 Cb -0.06 -0.34 0.02 0.00 -1.15 0.00 0.00 33.47 31.93 3a13 s TRP 85 CO 0.22 -0.03 0.86 0.42 0.02 0.00 0.00 176.95 178.44 3a13 s ILE 86 N -0.46 4.63 -0.14 2.03 -1.09 0.01 0.55 121.20 126.73 3a13 s ILE 86 Ca -0.01 0.94 -0.02 0.00 -2.23 0.00 0.00 60.65 59.32 3a13 s ILE 86 Cb -0.04 -4.30 -0.02 0.00 -1.58 0.00 0.00 42.46 36.51 3a13 s ILE 86 CO -0.00 -0.56 -0.06 -0.69 -1.23 0.00 0.00 174.94 172.40 3a13 s VAL 87 N 3.36 3.68 -0.16 2.92 1.01 0.70 -0.82 120.40 131.09 3a13 s VAL 87 Ca 0.35 -0.44 -0.07 0.00 0.00 0.00 0.00 61.98 61.82 3a13 s VAL 87 Cb -0.12 -2.59 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 3a13 s VAL 87 CO 0.20 0.51 0.08 -0.13 0.00 0.00 0.00 175.10 175.76 3a13 s ARG 88 N 0.26 3.73 -0.06 2.72 0.52 -0.26 -1.13 118.95 124.72 3a13 s ARG 88 Ca -0.05 -0.28 0.03 0.00 -0.52 0.00 0.00 55.73 54.92 3a13 s ARG 88 Cb -0.14 -3.18 0.01 0.00 0.52 0.00 0.00 34.95 32.15 3a13 s ARG 88 CO 0.04 0.47 -0.14 0.42 0.02 0.00 0.00 175.30 176.11 3a13 s ILE 89 N -0.18 1.22 -0.13 1.52 1.01 -0.45 -1.16 121.20 123.02 3a13 s ILE 89 Ca 0.08 -0.55 -0.04 0.00 0.00 0.00 0.00 60.65 60.14 3a13 s ILE 89 Cb -0.12 -1.09 -0.03 0.00 0.01 0.00 0.00 42.46 41.22 3a13 s ILE 89 CO 0.01 0.37 0.02 0.00 0.00 0.00 0.00 174.94 175.34 3a13 s ALA 90 N 0.49 3.31 -0.05 9.38 0.00 0.69 -0.68 121.76 134.90 3a13 s ALA 90 Ca -0.12 -0.78 0.03 0.00 0.00 0.00 0.00 51.96 51.10 3a13 s ALA 90 Cb -0.15 -1.66 0.00 0.00 0.00 0.00 0.00 23.12 21.31 3a13 s ALA 90 CO 0.04 0.39 -0.16 0.71 0.00 0.00 0.00 175.76 176.74 3a13 s TYR 91 N -0.26 1.67 0.21 0.00 2.02 0.20 -1.28 117.35 119.90 3a13 s TYR 91 Ca 0.07 -0.55 -0.30 0.00 -0.37 0.00 0.00 57.07 55.92 3a13 s TYR 91 Cb -0.12 -1.15 -0.08 0.00 -0.40 0.00 0.00 41.96 40.20 3a13 s TYR 91 CO 0.02 -0.22 1.16 -1.25 -1.57 0.00 0.00 175.55 173.69 3a13 s PRO 92 N 0.28 4.54 0.49 -1.71 0.04 -1.26 0.59 135.00 137.97 3a13 s PRO 92 Ca -0.09 1.84 0.18 0.00 0.04 0.00 0.00 61.00 62.98 3a13 s PRO 92 Cb -0.13 -3.23 1.21 0.00 0.04 0.00 0.00 34.50 32.39 3a13 s PRO 92 CO 0.03 0.00 2.03 0.27 0.04 0.00 0.00 177.00 179.38 3a13 h PHE 93 N 4.83 0.18 -0.10 0.56 -5.15 -1.50 -0.51 116.94 115.25 3a13 h PHE 93 Ca -0.45 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.32 3a13 h PHE 93 Cb 1.21 -0.06 0.00 0.00 0.22 0.00 0.00 35.95 37.32 3a13 h PHE 93 CO 0.61 0.09 0.00 -2.39 -2.00 0.00 0.00 178.31 174.62 3a13 n HIS 94 N -4.45 0.14 0.49 6.09 1.44 -1.26 -2.18 115.22 115.48 3a13 n HIS 94 Ca 0.06 -0.07 0.13 0.00 -2.01 0.00 0.00 57.72 55.83 3a13 n HIS 94 Cb 0.38 0.00 0.37 0.00 0.12 0.00 0.00 29.99 30.86 3a13 n HIS 94 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3a13 h ALA 95 N 3.36 1.00 -3.52 1.59 0.00 -1.43 -3.46 119.26 116.81 3a13 h ALA 95 Ca 0.00 0.00 -0.66 0.00 0.00 0.00 0.00 54.91 54.25 3a13 h ALA 95 Cb 0.16 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 17.80 3a13 h ALA 95 CO 0.00 0.00 -0.71 -0.06 0.00 0.00 0.00 179.25 178.48 3a13 s PHE 96 N -3.18 2.83 0.41 0.00 0.08 -0.93 -5.09 117.98 112.10 3a13 s PHE 96 Ca 0.09 -0.10 -0.26 0.00 0.12 0.00 0.00 56.93 56.77 3a13 s PHE 96 Cb 0.10 -1.49 -0.09 0.00 -0.57 0.00 0.00 43.02 40.96 3a13 s PHE 96 CO 0.59 0.43 1.38 -2.00 -0.10 0.00 0.00 175.22 175.52 3a13 s GLU 97 N -2.07 3.95 0.28 0.44 2.12 -1.26 -4.95 118.70 117.20 3a13 s GLU 97 Ca 0.22 2.34 -0.29 0.00 0.36 0.00 0.00 54.97 57.59 3a13 s GLU 97 Cb -0.11 -2.80 -0.10 0.00 0.26 0.00 0.00 34.13 31.37 3a13 s GLU 97 CO 0.14 -0.57 1.37 -2.00 -0.54 0.00 0.00 175.26 173.66 3a13 s GLU 98 N -2.23 4.31 -1.41 4.30 2.12 -1.26 -3.51 118.70 121.03 3a13 s GLU 98 Ca 0.56 2.24 -0.01 0.00 0.36 0.00 0.00 54.97 58.13 3a13 s GLU 98 Cb -0.42 -3.10 0.01 0.00 0.26 0.00 0.00 34.13 30.88 3a13 s GLU 98 CO 0.55 -0.32 0.48 0.00 -0.54 0.00 0.00 175.26 175.43 3a13 n ALA 99 N 1.76 -1.97 -3.57 6.30 0.00 -1.26 -4.94 120.51 116.83 3a13 n ALA 99 Ca 0.04 -0.24 -0.28 0.00 0.00 0.00 0.00 53.44 52.97 3a13 n ALA 99 Cb 0.41 -1.68 -0.11 0.00 0.00 0.00 0.00 19.45 18.07 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 -4.31 2.69 0.14 0.00 3.84 -1.23 -4.99 114.94 111.09 3a13 s ASN 100 Ca 0.05 -3.17 -0.17 0.00 0.21 0.00 0.00 52.86 49.77 3a13 s ASN 100 Cb -0.02 -0.82 0.02 0.00 -0.55 0.00 0.00 41.25 39.88 3a13 s ASN 100 CO 0.88 -0.17 1.75 0.25 -2.79 0.00 0.00 177.10 177.02 3a13 h LEU 101 N 5.79 0.11 -1.16 3.21 5.85 -1.92 -1.89 115.31 125.30 3a13 h LEU 101 Ca 0.19 0.03 0.14 0.00 0.84 0.00 0.00 57.88 59.08 3a13 h LEU 101 Cb 0.87 0.02 -0.08 0.00 0.37 0.00 0.00 40.66 41.84 3a13 h LEU 101 CO 0.47 0.10 0.60 -0.65 -0.34 0.00 0.00 178.44 178.62 3a13 h PRO 102 N 0.24 0.78 -0.47 5.25 0.11 -1.94 0.99 132.00 136.95 3a13 h PRO 102 Ca 0.14 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 66.11 3a13 h PRO 102 Cb 0.11 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.02 3a13 h PRO 102 CO -0.14 0.51 -0.06 0.78 -0.21 0.00 0.00 178.00 178.89 3a13 h GLY 103 N 0.80 0.89 1.14 -0.55 0.00 -1.80 -1.62 103.07 101.93 3a13 h GLY 103 Ca 0.48 -0.64 -0.19 0.00 0.00 0.00 0.00 47.33 46.98 3a13 h GLY 103 CO -0.24 0.59 -0.57 -2.00 0.00 0.00 0.00 176.54 174.31 3a13 h LEU 104 N 0.75 0.97 -1.14 3.11 6.46 -0.46 -3.04 115.31 121.96 3a13 h LEU 104 Ca 0.13 -0.55 -0.01 0.00 -0.12 0.00 0.00 57.88 57.34 3a13 h LEU 104 Cb 0.54 -0.28 -0.04 0.00 -0.73 0.00 0.00 40.66 40.15 3a13 h LEU 104 CO 0.03 1.34 0.45 -0.07 -0.62 0.00 0.00 178.44 179.57 3a13 h LEU 105 N 0.64 0.92 -2.04 2.25 3.38 -0.66 -0.40 115.31 119.40 3a13 h LEU 105 Ca 0.01 -0.06 0.05 0.00 0.09 0.00 0.00 57.88 57.97 3a13 h LEU 105 Cb 1.18 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 3a13 h LEU 105 CO 0.13 0.71 0.13 0.00 0.09 0.00 0.00 178.44 179.50 3a13 h ALA 106 N 1.44 2.11 0.00 1.53 0.00 -1.18 0.16 119.26 123.32 3a13 h ALA 106 Ca 0.27 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 3a13 h ALA 106 Cb -0.03 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3a13 h ALA 106 CO -0.05 -0.22 -0.34 1.03 0.00 0.00 0.00 179.25 179.66 3a13 h SER 107 N 0.00 0.00 -0.12 0.00 0.87 -1.10 -3.23 113.55 109.98 3a13 h SER 107 Ca 0.08 -0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.44 3a13 h SER 107 Cb 0.35 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.31 3a13 h SER 107 CO -0.00 0.79 0.00 2.30 -0.53 0.00 0.00 176.83 179.39 3a13 n ILE 108 N -4.65 0.14 -2.69 2.23 -6.64 -0.31 -4.12 119.36 103.32 3a13 n ILE 108 Ca -0.08 -0.46 0.00 0.00 -1.77 0.00 0.00 62.75 60.44 3a13 n ILE 108 Cb 0.25 0.95 0.05 0.00 -1.44 0.00 0.00 39.64 39.44 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 0.91 2.62 -2.54 -1.28 0.00 0.55 -5.01 120.51 115.76 3a13 n ALA 109 Ca 0.17 -2.34 0.00 0.00 0.00 0.00 0.00 53.44 51.26 3a13 n ALA 109 Cb 0.49 -0.81 0.00 0.00 0.00 0.00 0.00 19.45 19.13 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 -0.40 1.19 0.36 0.00 0.00 -1.17 -4.77 105.19 100.39 3a13 n GLY 110 Ca 0.02 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.23 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 -0.37 1.61 2.35 -1.88 -3.00 115.58 114.30 3a13 h ASN 111 Ca 0.00 0.00 0.11 0.00 -0.55 0.00 0.00 56.30 55.86 3a13 h ASN 111 Cb 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 3a13 h ASN 111 CO 0.00 0.00 0.28 0.16 -1.65 0.00 0.00 177.43 176.22 3a13 h ILE 112 N 0.00 0.76 0.00 2.81 3.07 -1.89 -0.39 117.51 121.86 3a13 h ILE 112 Ca 0.14 0.00 -0.00 0.00 1.55 0.00 0.00 64.86 66.54 3a13 h ILE 112 Cb 0.74 0.80 -0.00 0.00 -0.27 0.00 0.00 36.82 38.09 3a13 h ILE 112 CO -0.00 0.00 -0.02 -0.26 -1.05 0.00 0.00 178.15 176.82 3a13 h PHE 113 N 0.00 0.00 -0.30 0.16 0.04 -1.88 -2.97 116.94 111.99 3a13 h PHE 113 Ca 0.18 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.95 3a13 h PHE 113 Cb 0.73 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.88 3a13 h PHE 113 CO 0.00 0.02 0.00 0.41 -0.60 0.00 0.00 178.31 178.14 3a13 n GLY 114 N -0.41 1.50 3.71 -1.45 0.00 -0.16 -4.82 105.19 103.56 3a13 n GLY 114 Ca -0.01 -0.62 -0.42 0.00 0.00 0.00 0.00 46.02 44.97 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 -1.36 4.27 0.57 1.61 -1.94 -1.13 -4.88 119.30 116.45 3a13 s MET 115 Ca 0.32 2.18 0.27 0.00 -1.71 0.00 0.00 55.69 56.74 3a13 s MET 115 Cb 0.19 -3.32 1.52 0.00 2.01 0.00 0.00 34.83 35.22 3a13 s MET 115 CO 0.26 -0.55 2.03 0.87 -0.01 0.00 0.00 175.02 177.62 3a13 h LYS 116 N 7.19 0.00 0.00 2.03 1.57 -1.94 -1.92 116.57 123.50 3a13 h LYS 116 Ca -0.42 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 3a13 h LYS 116 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 3a13 h LYS 116 CO 0.89 0.00 0.00 -2.13 -0.57 0.00 0.00 179.45 177.64 3a13 n ARG 117 N -4.00 0.17 -4.91 3.15 0.63 -1.26 -4.49 116.66 105.96 3a13 n ARG 117 Ca 0.05 0.37 -0.33 0.00 -0.92 0.00 0.00 57.85 57.02 3a13 n ARG 117 Cb 0.48 -1.80 -0.15 0.00 0.45 0.00 0.00 32.46 31.43 3a13 n ARG 117 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 3a13 s VAL 118 N -3.24 2.78 0.16 5.15 -7.23 -0.72 -1.14 120.40 116.16 3a13 s VAL 118 Ca 0.05 -0.76 -0.11 0.00 -1.81 0.00 0.00 61.98 59.36 3a13 s VAL 118 Cb 0.10 -2.14 0.01 0.00 0.56 0.00 0.00 36.38 34.91 3a13 s VAL 118 CO 0.40 0.54 1.57 0.50 -0.31 0.00 0.00 175.10 177.79 3a13 h LYS 119 N 6.60 0.98 -2.71 4.82 3.64 -0.75 -3.43 116.57 125.72 3a13 h LYS 119 Ca -0.25 -0.39 -0.12 0.00 -1.27 0.00 0.00 60.65 58.62 3a13 h LYS 119 Cb 1.21 -0.05 -0.23 0.00 -0.41 0.00 0.00 32.23 32.75 3a13 h LYS 119 CO 0.53 1.06 -0.21 0.20 -2.27 0.00 0.00 179.45 178.76 3a13 s GLY 120 N -3.65 -0.31 -0.05 5.01 0.00 -0.97 -5.01 107.32 102.34 3a13 s GLY 120 Ca -0.12 1.15 -0.01 0.00 0.00 0.00 0.00 44.72 45.74 3a13 s GLY 120 CO 0.86 0.97 0.01 -2.27 0.00 0.00 0.00 173.10 172.67 3a13 s LEU 121 N 0.09 0.72 -0.20 0.66 2.96 -1.14 -1.18 118.68 120.59 3a13 s LEU 121 Ca -0.01 -0.05 0.00 0.00 -0.22 0.00 0.00 54.13 53.85 3a13 s LEU 121 Cb -0.03 -0.34 0.05 0.00 0.50 0.00 0.00 46.19 46.37 3a13 s LEU 121 CO 0.01 -0.17 -0.07 -0.60 -1.32 0.00 0.00 176.35 174.21 3a13 s ARG 122 N 1.68 1.68 -0.36 1.98 3.00 -0.81 -1.01 118.95 125.10 3a13 s ARG 122 Ca -0.00 -0.78 -0.29 0.00 -1.00 0.00 0.00 55.73 53.66 3a13 s ARG 122 Cb -0.13 -2.34 0.00 0.00 0.00 0.00 0.00 34.95 32.48 3a13 s ARG 122 CO -0.03 -0.49 1.41 -1.17 0.00 0.00 0.00 175.30 175.01 3a13 s LEU 123 N 1.48 3.69 -0.17 -0.88 2.96 -0.52 0.00 118.68 125.24 3a13 s LEU 123 Ca -0.02 1.01 0.16 0.00 -0.22 0.00 0.00 54.13 55.05 3a13 s LEU 123 Cb -0.17 -3.54 -0.24 0.00 0.50 0.00 0.00 46.19 42.74 3a13 s LEU 123 CO -0.07 -1.33 0.17 -0.62 -1.32 0.00 0.00 176.35 173.18 3a13 n GLU 124 N 7.84 0.68 -3.44 1.98 -0.58 0.29 -0.50 120.64 126.91 3a13 n GLU 124 Ca 0.16 0.06 -0.12 0.00 -0.42 0.00 0.00 57.16 56.84 3a13 n GLU 124 Cb 0.47 -1.58 -0.03 0.00 -0.57 0.00 0.00 31.44 29.74 3a13 n GLU 124 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3a13 s ASP 125 N -5.70 -0.56 -0.14 1.62 2.15 -1.07 -4.44 116.67 108.52 3a13 s ASP 125 Ca -0.11 0.10 -0.03 0.00 0.43 0.00 0.00 52.55 52.94 3a13 s ASP 125 Cb 0.07 0.57 0.05 0.00 -0.30 0.00 0.00 42.92 43.30 3a13 s ASP 125 CO 0.81 -0.88 0.05 -0.22 -0.17 0.00 0.00 175.17 174.76 3a13 s LEU 126 N -2.49 0.71 -0.19 -1.34 2.96 -1.26 -0.90 118.68 116.16 3a13 s LEU 126 Ca -0.00 -0.51 -0.16 0.00 -0.22 0.00 0.00 54.13 53.24 3a13 s LEU 126 Cb -0.01 -0.42 -0.04 0.00 0.50 0.00 0.00 46.19 46.22 3a13 s LEU 126 CO -0.09 -0.29 0.38 -0.47 -1.32 0.00 0.00 176.35 174.56 3a13 s TYR 127 N 1.99 3.40 -0.19 5.38 5.04 0.26 -4.97 117.35 128.27 3a13 s TYR 127 Ca 0.02 0.62 -0.04 0.00 -2.44 0.00 0.00 57.07 55.23 3a13 s TYR 127 Cb -0.15 -2.49 -0.02 0.00 0.35 0.00 0.00 41.96 39.64 3a13 s TYR 127 CO -0.07 0.04 -0.03 -0.06 -1.34 0.00 0.00 175.55 174.09 3a13 s PHE 128 N 1.12 2.99 0.75 4.97 0.40 -1.26 -2.49 117.98 124.46 3a13 s PHE 128 Ca 0.19 -0.55 -0.12 0.00 -0.60 0.00 0.00 56.93 55.85 3a13 s PHE 128 Cb -0.14 -2.03 0.05 0.00 0.51 0.00 0.00 43.02 41.40 3a13 s PHE 128 CO 0.07 -0.26 1.12 -1.25 0.70 0.00 0.00 175.22 175.61 3a13 s PRO 129 N 0.88 2.25 0.33 0.24 0.04 -1.26 -4.70 135.00 132.78 3a13 s PRO 129 Ca -0.00 1.36 0.12 0.00 0.04 0.00 0.00 61.00 62.52 3a13 s PRO 129 Cb -0.15 -1.88 0.97 0.00 0.04 0.00 0.00 34.50 33.49 3a13 s PRO 129 CO 0.01 -1.67 1.70 1.49 0.04 0.00 0.00 177.00 178.58 3a13 h GLU 130 N -0.75 0.46 -0.75 4.56 4.81 -1.82 0.01 114.58 121.10 3a13 h GLU 130 Ca -0.45 -0.03 0.11 0.00 -0.13 0.00 0.00 59.36 58.86 3a13 h GLU 130 Cb 1.25 -0.10 -0.08 0.00 0.63 0.00 0.00 28.75 30.45 3a13 h GLU 130 CO 0.51 0.31 0.38 -0.22 -0.73 0.00 0.00 179.01 179.26 3a13 h LYS 131 N 0.48 0.61 -0.04 1.92 3.64 -1.91 -0.64 116.57 120.63 3a13 h LYS 131 Ca 0.68 -0.04 -0.24 0.00 -1.27 0.00 0.00 60.65 59.78 3a13 h LYS 131 Cb 1.41 -0.14 0.01 0.00 -0.41 0.00 0.00 32.23 33.11 3a13 h LYS 131 CO -0.52 0.40 -0.94 -0.07 -2.27 0.00 0.00 179.45 176.05 3a13 h LEU 132 N 0.62 0.80 -0.96 5.20 4.07 -1.36 -3.08 115.31 120.60 3a13 h LEU 132 Ca 0.38 -0.61 0.15 0.00 0.08 0.00 0.00 57.88 57.89 3a13 h LEU 132 Cb 0.43 -0.24 -0.10 0.00 1.08 0.00 0.00 40.66 41.83 3a13 h LEU 132 CO -0.29 1.40 0.57 0.40 -1.08 0.00 0.00 178.44 179.44 3a13 h ILE 133 N 0.38 0.78 0.00 1.22 1.08 -0.81 0.12 117.51 120.28 3a13 h ILE 133 Ca -0.09 -0.28 0.00 0.00 -0.39 0.00 0.00 64.86 64.10 3a13 h ILE 133 Cb 1.58 -0.09 0.00 0.00 -3.07 0.00 0.00 36.82 35.24 3a13 h ILE 133 CO 0.18 0.15 0.00 0.54 -0.69 0.00 0.00 178.15 178.33 3a13 n ARG 134 N -4.74 0.50 0.00 2.37 1.74 -0.30 -1.66 116.66 114.56 3a13 n ARG 134 Ca 0.20 0.00 0.15 0.00 -0.77 0.00 0.00 57.85 57.44 3a13 n ARG 134 Cb 0.46 -1.50 0.84 0.00 -1.02 0.00 0.00 32.46 31.24 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 -1.25 0.70 -4.27 5.56 1.02 0.03 -4.83 120.64 117.60 3a13 n GLU 135 Ca 0.15 -0.01 -0.23 0.00 -0.02 0.00 0.00 57.16 57.05 3a13 n GLU 135 Cb 0.22 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.07 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 -2.31 2.71 -0.12 -0.32 0.08 -0.67 -4.89 117.98 112.47 3a13 s PHE 136 Ca 0.37 -0.24 0.20 0.00 0.12 0.00 0.00 56.93 57.39 3a13 s PHE 136 Cb 0.21 -1.25 -0.29 0.00 -0.57 0.00 0.00 43.02 41.12 3a13 s PHE 136 CO 0.42 0.59 0.28 -0.25 -0.10 0.00 0.00 175.22 176.16 3a13 n ASP 137 N -0.93 0.01 -0.40 1.36 8.00 -1.25 -4.98 116.55 118.35 3a13 n ASP 137 Ca -0.06 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.46 3a13 n ASP 137 Cb 0.59 1.48 -0.00 0.00 -0.02 0.00 0.00 41.12 43.17 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 1.50 -1.79 3.74 0.44 0.00 -0.52 -4.69 105.19 103.87 3a13 n GLY 138 Ca -0.18 -1.30 -0.42 0.00 0.00 0.00 0.00 46.02 44.12 3a13 n GLY 138 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3a13 s PRO 139 N -0.34 4.19 0.18 1.61 0.02 -1.24 -4.15 135.00 135.26 3a13 s PRO 139 Ca 0.00 2.45 -0.06 0.00 0.02 0.00 0.00 61.00 63.41 3a13 s PRO 139 Cb 0.00 -3.08 0.08 0.00 0.02 0.00 0.00 34.50 31.52 3a13 s PRO 139 CO 0.00 -0.57 1.51 0.00 -0.33 0.00 0.00 177.00 177.61 3a13 h ALA 140 N 5.44 0.68 0.00 -1.55 0.00 -1.88 -3.38 119.26 118.56 3a13 h ALA 140 Ca -0.45 -0.48 -0.42 0.00 0.00 0.00 0.00 54.91 53.55 3a13 h ALA 140 Cb 1.21 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.85 3a13 h ALA 140 CO 0.82 0.67 -2.39 1.19 0.00 0.00 0.00 179.25 179.55 3a13 n PHE 141 N -4.00 0.00 -4.54 0.00 3.72 -1.26 -4.93 117.46 106.45 3a13 n PHE 141 Ca -0.03 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.39 3a13 n PHE 141 Cb 0.57 -0.91 -0.00 0.00 -0.94 0.00 0.00 39.48 38.20 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 1.39 -1.19 0.32 1.37 0.00 -1.26 -0.21 105.19 105.62 3a13 n GLY 142 Ca -0.50 -1.08 -0.00 0.00 0.00 0.00 0.00 46.02 44.45 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 -0.09 1.08 -0.10 -0.61 2.04 -1.28 -2.04 117.51 116.50 3a13 h ILE 143 Ca 0.00 -0.35 -0.01 0.00 1.00 0.00 0.00 64.86 65.50 3a13 h ILE 143 Cb 0.09 -0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 36.14 3a13 h ILE 143 CO 0.00 0.19 0.03 -0.33 0.00 0.00 0.00 178.15 178.03 3a13 h GLU 144 N 1.02 0.16 -0.82 2.37 5.08 -1.85 -1.45 114.58 119.09 3a13 h GLU 144 Ca 0.36 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.68 3a13 h GLU 144 Cb 0.11 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.30 3a13 h GLU 144 CO -0.15 0.33 0.48 0.78 -1.00 0.00 0.00 179.01 179.45 3a13 h GLY 145 N -0.04 1.20 1.28 -3.84 0.00 -0.38 -1.03 103.07 100.26 3a13 h GLY 145 Ca 0.03 -0.51 -0.27 0.00 0.00 0.00 0.00 47.33 46.58 3a13 h GLY 145 CO 0.00 0.49 -1.10 -2.08 0.00 0.00 0.00 176.54 173.85 3a13 h VAL 146 N 1.14 1.30 -0.84 4.60 2.07 -1.29 0.12 116.25 123.35 3a13 h VAL 146 Ca 0.29 -2.37 -0.01 0.00 0.82 0.00 0.00 66.70 65.43 3a13 h VAL 146 Cb -0.02 2.50 -0.04 0.00 -1.52 0.00 0.00 31.29 32.21 3a13 h VAL 146 CO -0.05 0.72 0.48 0.03 0.02 0.00 0.00 177.57 178.77 3a13 h ARG 147 N 0.33 1.16 -0.03 1.57 3.08 -1.12 -0.95 114.38 118.43 3a13 h ARG 147 Ca -0.14 -0.13 -0.00 0.00 0.07 0.00 0.00 59.98 59.78 3a13 h ARG 147 Cb 1.76 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 31.58 3a13 h ARG 147 CO 0.21 0.84 -0.00 -0.22 -1.07 0.00 0.00 179.97 179.73 3a13 h LYS 148 N 1.17 0.05 -0.84 0.04 3.64 -1.11 0.30 116.57 119.81 3a13 h LYS 148 Ca 0.30 -0.02 0.16 0.00 -1.27 0.00 0.00 60.65 59.82 3a13 h LYS 148 Cb 0.01 -0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 31.72 3a13 h LYS 148 CO -0.05 0.37 0.41 1.98 -2.27 0.00 0.00 179.45 179.88 3a13 h MET 149 N -0.28 0.54 -0.02 1.90 4.05 -0.65 -1.95 114.93 118.52 3a13 h MET 149 Ca 0.01 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.39 3a13 h MET 149 Cb 0.35 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 31.02 3a13 h MET 149 CO 0.00 0.36 -0.07 1.28 0.23 0.00 0.00 176.91 178.71 3a13 n LEU 150 N -4.92 1.96 -3.94 3.39 4.77 -0.37 -4.95 117.00 112.94 3a13 n LEU 150 Ca 0.17 -0.65 -0.28 0.00 -0.03 0.00 0.00 56.01 55.22 3a13 n LEU 150 Cb 0.47 -0.02 -0.01 0.00 -2.33 0.00 0.00 43.42 41.53 3a13 n LEU 150 CO 0.19 0.33 -0.22 -0.62 -1.33 0.00 0.00 177.39 175.74 3a13 n GLU 151 N 0.43 -2.49 -3.87 3.23 1.02 0.92 -4.32 120.64 115.56 3a13 n GLU 151 Ca 0.16 0.36 -0.29 0.00 -0.02 0.00 0.00 57.16 57.37 3a13 n GLU 151 Cb 0.44 -4.23 -0.16 0.00 -0.02 0.00 0.00 31.44 27.48 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 -3.88 1.21 -0.05 -3.67 1.01 -0.40 -4.93 121.20 110.49 3a13 s ILE 152 Ca 0.12 -1.05 -0.23 0.00 0.00 0.00 0.00 60.65 59.49 3a13 s ILE 152 Cb -0.05 -1.58 -0.27 0.00 0.01 0.00 0.00 42.46 40.57 3a13 s ILE 152 CO 0.90 -0.17 0.94 0.50 0.00 0.00 0.00 174.94 177.11 3a13 h LYS 153 N 8.04 0.24 0.00 2.79 3.64 -1.93 -3.43 116.57 125.93 3a13 h LYS 153 Ca -0.17 -0.34 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 3a13 h LYS 153 Cb 1.08 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 3a13 h LYS 153 CO 0.39 1.10 -0.13 -0.25 -2.27 0.00 0.00 179.45 178.30 3a13 n ASP 154 N -4.31 0.60 -4.78 4.20 8.00 -1.26 -5.08 116.55 113.92 3a13 n ASP 154 Ca -0.12 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.07 3a13 n ASP 154 Cb 0.66 0.05 0.06 0.00 -0.02 0.00 0.00 41.12 41.87 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 -1.13 2.66 0.67 -1.24 1.70 -1.26 -4.67 118.95 115.68 3a13 s ARG 155 Ca 0.00 1.19 -0.17 0.00 -0.47 0.00 0.00 55.73 56.28 3a13 s ARG 155 Cb 0.00 -1.94 0.00 0.00 -0.57 0.00 0.00 34.95 32.44 3a13 s ARG 155 CO 0.00 -1.34 1.27 -2.14 -1.08 0.00 0.00 175.30 172.01 3a13 s PRO 156 N -4.61 2.41 0.38 3.89 0.02 -1.17 -4.90 135.00 131.02 3a13 s PRO 156 Ca 0.62 1.98 -0.23 0.00 0.02 0.00 0.00 61.00 63.39 3a13 s PRO 156 Cb -0.17 -1.84 -0.10 0.00 0.02 0.00 0.00 34.50 32.40 3a13 s PRO 156 CO 0.50 -1.68 0.96 0.42 -0.33 0.00 0.00 177.00 176.86 3a13 s ILE 157 N -1.56 4.24 -0.04 2.83 1.09 -0.78 -4.91 121.20 122.07 3a13 s ILE 157 Ca 0.80 1.62 0.02 0.00 -1.10 0.00 0.00 60.65 61.99 3a13 s ILE 157 Cb -0.35 -3.78 0.01 0.00 -1.06 0.00 0.00 42.46 37.28 3a13 s ILE 157 CO 0.41 -0.09 -0.08 -0.47 -0.10 0.00 0.00 174.94 174.62 3a13 s TYR 158 N -1.89 0.95 0.31 3.97 5.04 -1.26 0.57 117.35 125.04 3a13 s TYR 158 Ca 0.57 -0.28 -0.13 0.00 -2.44 0.00 0.00 57.07 54.79 3a13 s TYR 158 Cb -0.14 -0.74 0.02 0.00 0.35 0.00 0.00 41.96 41.44 3a13 s TYR 158 CO 0.19 -0.17 0.60 0.20 -1.34 0.00 0.00 175.55 175.03 3a13 s GLY 159 N 0.58 0.57 -0.03 8.97 0.00 -0.81 0.80 107.32 117.41 3a13 s GLY 159 Ca -0.09 -0.87 0.01 0.00 0.00 0.00 0.00 44.72 43.77 3a13 s GLY 159 CO 0.01 -0.52 -0.04 0.14 0.00 0.00 0.00 173.10 172.69 3a13 s VAL 160 N -3.37 0.45 -0.15 1.40 1.01 -0.65 -2.12 120.40 116.98 3a13 s VAL 160 Ca 0.20 -0.12 -0.16 0.00 0.00 0.00 0.00 61.98 61.90 3a13 s VAL 160 Cb -0.03 -0.46 -0.04 0.00 0.00 0.00 0.00 36.38 35.85 3a13 s VAL 160 CO 0.12 0.18 0.37 -0.69 0.00 0.00 0.00 175.10 175.08 3a13 s VAL 161 N 0.62 5.25 0.50 2.92 1.01 -1.26 -4.42 120.40 125.02 3a13 s VAL 161 Ca -0.08 0.71 -0.23 0.00 0.00 0.00 0.00 61.98 62.38 3a13 s VAL 161 Cb -0.11 -3.71 -0.06 0.00 0.00 0.00 0.00 36.38 32.50 3a13 s VAL 161 CO -0.00 0.35 1.34 -2.84 0.00 0.00 0.00 175.10 173.95 3a13 s PRO 162 N 0.63 3.44 -0.03 2.72 0.02 -1.26 -4.57 135.00 135.96 3a13 s PRO 162 Ca 0.20 2.20 0.03 0.00 0.02 0.00 0.00 61.00 63.45 3a13 s PRO 162 Cb -0.14 -2.42 -0.00 0.00 0.02 0.00 0.00 34.50 31.96 3a13 s PRO 162 CO 0.07 -0.94 -0.12 0.15 -0.33 0.00 0.00 177.00 175.82 3a13 s LYS 163 N -2.70 1.23 0.73 5.54 -0.14 -1.26 -3.45 119.74 119.69 3a13 s LYS 163 Ca 0.66 -0.42 -0.15 0.00 -1.36 0.00 0.00 55.97 54.70 3a13 s LYS 163 Cb -0.39 -1.12 0.04 0.00 -1.68 0.00 0.00 37.83 34.67 3a13 s LYS 163 CO 0.48 0.18 1.23 -1.25 -0.76 0.00 0.00 175.35 175.23 3a13 s PRO 164 N 0.06 2.12 0.38 -1.68 0.04 -1.26 -5.08 135.00 129.59 3a13 s PRO 164 Ca -0.02 1.85 0.11 0.00 0.04 0.00 0.00 61.00 62.98 3a13 s PRO 164 Cb -0.09 -1.82 0.76 0.00 0.04 0.00 0.00 34.50 33.39 3a13 s PRO 164 CO 0.01 -1.87 1.87 1.57 0.04 0.00 0.00 177.00 178.62 3a13 h LYS 165 N -0.21 0.11 -4.64 4.56 2.10 -1.96 -3.45 116.57 113.08 3a13 h LYS 165 Ca -0.48 -0.03 -0.34 0.00 -2.00 0.00 0.00 60.65 57.79 3a13 h LYS 165 Cb 1.31 -0.01 -0.13 0.00 -0.90 0.00 0.00 32.23 32.50 3a13 h LYS 165 CO 0.50 0.37 -0.49 0.14 -2.00 0.00 0.00 179.45 177.96 3a13 s VAL 166 N -4.46 0.00 0.00 0.07 -7.23 -1.26 -4.50 120.40 103.02 3a13 s VAL 166 Ca -0.04 -1.93 0.00 0.00 -1.81 0.00 0.00 61.98 58.20 3a13 s VAL 166 Cb 0.15 -2.50 0.00 0.00 0.56 0.00 0.00 36.38 34.59 3a13 s VAL 166 CO 0.73 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 176.13 3a13 n GLY 167 N -0.47 0.76 3.53 2.32 0.00 -1.26 -5.08 105.19 104.99 3a13 n GLY 167 Ca 0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 3a13 n GLY 167 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3a13 s TYR 168 N -2.28 2.49 0.48 1.61 -0.85 -1.26 -5.12 117.35 112.42 3a13 s TYR 168 Ca 0.00 -0.28 0.03 0.00 -0.52 0.00 0.00 57.07 56.30 3a13 s TYR 168 Cb 0.00 -1.15 0.02 0.00 0.38 0.00 0.00 41.96 41.20 3a13 s TYR 168 CO 0.00 0.59 0.67 -1.54 -1.52 0.00 0.00 175.55 173.76 3a13 s SER 169 N -3.20 5.56 0.29 -0.18 1.04 -1.26 -4.59 113.70 111.37 3a13 s SER 169 Ca 0.27 -0.04 0.01 0.00 0.48 0.00 0.00 55.95 56.67 3a13 s SER 169 Cb -0.07 -1.03 0.45 0.00 0.10 0.00 0.00 66.02 65.47 3a13 s SER 169 CO 0.15 -0.88 1.80 -0.65 0.98 0.00 0.00 173.24 174.65 3a13 h PRO 170 N 0.36 0.65 -0.35 4.02 0.11 -1.95 0.36 132.00 135.19 3a13 h PRO 170 Ca -0.43 -0.17 -0.11 0.00 0.11 0.00 0.00 66.00 65.40 3a13 h PRO 170 Cb 1.28 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 3a13 h PRO 170 CO 0.52 0.69 -0.21 0.93 -0.21 0.00 0.00 178.00 179.72 3a13 h GLU 171 N 0.61 0.76 -0.35 1.05 3.07 -1.94 -0.68 114.58 117.09 3a13 h GLU 171 Ca 0.12 -0.35 -0.05 0.00 -0.50 0.00 0.00 59.36 58.58 3a13 h GLU 171 Cb 0.42 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.30 3a13 h GLU 171 CO 0.02 0.97 -0.01 0.93 -1.40 0.00 0.00 179.01 179.52 3a13 h GLU 172 N 0.54 0.54 -0.17 2.33 5.08 -1.91 -2.97 114.58 118.02 3a13 h GLU 172 Ca 0.07 -0.12 -0.13 0.00 -1.00 0.00 0.00 59.36 58.18 3a13 h GLU 172 Cb 0.76 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 3a13 h GLU 172 CO 0.06 0.58 -0.46 0.35 -1.00 0.00 0.00 179.01 178.54 3a13 h PHE 173 N 0.52 0.52 -0.09 4.33 3.57 -0.50 -3.31 116.94 121.99 3a13 h PHE 173 Ca 0.11 -0.16 0.04 0.00 3.53 0.00 0.00 57.97 61.49 3a13 h PHE 173 Cb 0.35 -0.11 -0.06 0.00 2.79 0.00 0.00 35.95 38.92 3a13 h PHE 173 CO 0.01 0.82 -0.38 1.49 -2.23 0.00 0.00 178.31 178.02 3a13 h GLU 174 N 0.35 -0.46 -0.27 1.11 4.81 -0.96 -0.59 114.58 118.57 3a13 h GLU 174 Ca 0.02 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 3a13 h GLU 174 Cb 0.94 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.42 3a13 h GLU 174 CO 0.08 -0.31 0.18 -0.22 -0.73 0.00 0.00 179.01 178.01 3a13 h LYS 175 N -0.48 0.36 -0.32 1.92 1.63 -1.68 0.82 116.57 118.82 3a13 h LYS 175 Ca 0.08 -0.03 0.03 0.00 -0.85 0.00 0.00 60.65 59.88 3a13 h LYS 175 Cb 0.60 -0.08 -0.03 0.00 -0.60 0.00 0.00 32.23 32.12 3a13 h LYS 175 CO -0.35 0.25 0.13 1.25 -3.45 0.00 0.00 179.45 177.28 3a13 h LEU 176 N 0.36 0.16 -0.22 5.20 5.85 -1.62 0.09 115.31 125.13 3a13 h LEU 176 Ca 0.10 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 3a13 h LEU 176 Cb -0.02 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 3a13 h LEU 176 CO -0.02 0.13 0.09 0.00 -0.34 0.00 0.00 178.44 178.30 3a13 h ALA 177 N 1.19 0.29 -0.44 1.25 0.00 -0.77 -0.59 119.26 120.19 3a13 h ALA 177 Ca 0.14 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 55.02 3a13 h ALA 177 Cb 0.09 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 17.73 3a13 h ALA 177 CO -0.13 -0.13 0.04 -0.92 0.00 0.00 0.00 179.25 178.11 3a13 h TYR 178 N 0.21 0.05 -0.56 0.00 3.20 -0.61 -0.73 116.97 118.52 3a13 h TYR 178 Ca 0.07 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.89 3a13 h TYR 178 Cb 0.16 0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.45 3a13 h TYR 178 CO -0.01 -0.05 0.02 -0.44 -1.64 0.00 0.00 178.16 176.03 3a13 h ASP 179 N 0.16 0.91 0.18 -2.11 3.32 -0.61 -1.65 116.42 116.62 3a13 h ASP 179 Ca 0.22 -0.23 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 3a13 h ASP 179 Cb 0.31 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.62 3a13 h ASP 179 CO -0.33 0.96 -0.09 -0.07 -1.72 0.00 0.00 179.24 177.99 3a13 h LEU 180 N 0.87 -0.21 -1.28 1.55 3.38 -0.83 -2.70 115.31 116.10 3a13 h LEU 180 Ca 0.17 -0.32 0.02 0.00 0.09 0.00 0.00 57.88 57.83 3a13 h LEU 180 Cb 0.49 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.25 3a13 h LEU 180 CO 0.02 0.30 0.50 -0.07 0.09 0.00 0.00 178.44 179.28 3a13 h LEU 181 N -0.81 0.83 -1.46 1.67 3.38 -1.17 -0.94 115.31 116.81 3a13 h LEU 181 Ca -0.03 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 3a13 h LEU 181 Cb 0.52 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3a13 h LEU 181 CO 0.04 0.59 -0.13 0.28 0.09 0.00 0.00 178.44 179.31 3a13 h SER 182 N 0.97 0.17 -0.70 -0.43 0.02 -1.33 -3.08 113.55 109.18 3a13 h SER 182 Ca 0.29 -0.03 -0.24 0.00 -0.84 0.00 0.00 61.79 60.97 3a13 h SER 182 Cb -0.04 -0.05 -0.14 0.00 0.14 0.00 0.00 62.40 62.32 3a13 h SER 182 CO -0.07 0.33 0.27 0.59 -1.14 0.00 0.00 176.83 176.81 3a13 n ASN 183 N -4.29 4.41 0.00 3.07 3.02 -0.39 -4.93 115.26 116.15 3a13 n ASN 183 Ca -0.01 -3.31 0.00 0.00 -0.03 0.00 0.00 54.58 51.23 3a13 n ASN 183 Cb 0.26 -0.73 0.00 0.00 -0.61 0.00 0.00 39.78 38.69 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 -0.41 1.60 3.73 7.41 0.00 -1.07 -2.28 105.19 114.17 3a13 n GLY 184 Ca 0.41 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.59 3.77 0.05 4.61 0.00 -0.99 -4.90 121.76 122.71 3a13 s ALA 185 Ca 0.00 1.44 0.12 0.00 0.00 0.00 0.00 51.96 53.52 3a13 s ALA 185 Cb 0.00 -3.63 0.09 0.00 0.00 0.00 0.00 23.12 19.58 3a13 s ALA 185 CO 0.00 -0.84 1.45 -0.44 0.00 0.00 0.00 175.76 175.93 3a13 h ASP 186 N 6.08 0.00 -5.05 0.00 3.32 0.07 -3.39 116.42 117.44 3a13 h ASP 186 Ca -0.44 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.53 3a13 h ASP 186 Cb 1.21 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 40.60 3a13 h ASP 186 CO 0.87 0.69 -0.15 -0.72 -1.72 0.00 0.00 179.24 178.21 3a13 s TYR 187 N -3.05 -0.19 0.00 4.55 -0.85 -1.17 -1.63 117.35 115.02 3a13 s TYR 187 Ca 0.02 0.07 0.00 0.00 -0.52 0.00 0.00 57.07 56.63 3a13 s TYR 187 Cb 0.10 0.18 0.00 0.00 0.38 0.00 0.00 41.96 42.61 3a13 s TYR 187 CO 0.77 -0.57 0.00 -1.33 -1.52 0.00 0.00 175.55 172.90 3a13 n MET 188 N 0.40 2.12 -5.17 -3.49 2.81 -1.08 -1.63 117.12 111.07 3a13 n MET 188 Ca -0.18 0.00 -0.31 0.00 -1.81 0.00 0.00 57.70 55.40 3a13 n MET 188 Cb 0.60 0.00 -0.15 0.00 -0.71 0.00 0.00 33.22 32.96 3a13 n MET 188 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3a13 s ASP 190 N -0.96 3.34 0.60 7.83 1.01 -0.79 -1.35 116.67 126.34 3a13 s ASP 190 Ca 0.00 -0.40 -0.19 0.00 0.71 0.00 0.00 52.55 52.67 3a13 s ASP 190 Cb 0.00 -0.48 -0.04 0.00 1.01 0.00 0.00 42.92 43.41 3a13 s ASP 190 CO 0.00 0.32 1.15 -0.67 0.21 0.00 0.00 175.17 176.18 3a13 n ASP 191 N 2.36 1.57 0.32 0.27 -0.08 -1.26 -4.86 116.55 114.87 3a13 n ASP 191 Ca -0.16 0.86 0.20 0.00 -1.51 0.00 0.00 54.79 54.17 3a13 n ASP 191 Cb 0.51 -1.48 1.08 0.00 2.34 0.00 0.00 41.12 43.58 3a13 n ASP 191 CO 0.00 0.00 0.00 1.05 0.12 0.00 0.00 177.20 178.37 3a13 h GLU 192 N 0.73 0.00 -0.33 -0.67 9.09 -2.00 -0.82 114.58 120.58 3a13 h GLU 192 Ca -0.49 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.92 3a13 h GLU 192 Cb 1.34 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.44 3a13 h GLU 192 CO 0.53 0.00 0.00 0.27 0.05 0.00 0.00 179.01 179.86 3a13 n ASN 193 N -3.24 3.00 -4.57 3.06 0.23 -1.26 -4.86 115.26 107.63 3a13 n ASN 193 Ca -0.02 -2.10 -0.43 0.00 -0.53 0.00 0.00 54.58 51.50 3a13 n ASN 193 Cb 0.14 -0.26 -0.03 0.00 -2.08 0.00 0.00 39.78 37.55 3a13 n ASN 193 CO 0.00 0.00 0.00 -0.22 -0.93 0.00 0.00 177.26 176.11 3a13 s LEU 194 N -1.17 3.85 0.00 -4.53 2.96 -0.32 -4.95 118.68 114.53 3a13 s LEU 194 Ca 0.25 0.09 0.00 0.00 -0.22 0.00 0.00 54.13 54.25 3a13 s LEU 194 Cb 0.14 -3.19 0.00 0.00 0.50 0.00 0.00 46.19 43.64 3a13 s LEU 194 CO 0.15 -1.20 0.00 0.35 -1.32 0.00 0.00 176.35 174.32 3a13 n THR 195 N 6.51 0.00 -2.91 3.68 -2.24 -1.26 -4.70 114.28 113.36 3a13 n THR 195 Ca 0.07 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.62 3a13 n THR 195 Cb 0.48 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.69 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 3.21 -4.64 3.42 2.88 -1.26 -4.29 113.62 112.93 3a13 n SER 196 Ca 0.00 -3.41 -0.29 0.00 -1.33 0.00 0.00 58.87 53.84 3a13 n SER 196 Cb 0.00 -0.56 0.16 0.00 -0.75 0.00 0.00 64.21 63.07 3a13 n SER 196 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 3a13 s PRO 197 N -3.16 0.58 0.29 -1.46 0.04 -1.24 -4.68 135.00 125.37 3a13 s PRO 197 Ca 0.44 0.33 -0.01 0.00 0.04 0.00 0.00 61.00 61.80 3a13 s PRO 197 Cb 0.34 -1.77 0.48 0.00 0.04 0.00 0.00 34.50 33.58 3a13 s PRO 197 CO -0.11 -2.58 1.91 0.11 0.04 0.00 0.00 177.00 176.36 3a13 h TRP 198 N -1.78 1.10 0.00 0.56 5.08 -2.01 -1.54 115.95 117.37 3a13 h TRP 198 Ca -0.52 0.03 0.00 0.00 1.08 0.00 0.00 58.89 59.48 3a13 h TRP 198 Cb 1.33 -0.36 0.00 0.00 -3.00 0.00 0.00 29.16 27.12 3a13 h TRP 198 CO 0.06 0.59 0.00 2.48 -1.28 0.00 0.00 178.44 180.29 3a13 n TYR 199 N -4.48 0.00 -2.78 0.12 0.18 -1.26 -4.31 117.16 104.63 3a13 n TYR 199 Ca 0.14 0.00 -0.08 0.00 1.88 0.00 0.00 57.90 59.84 3a13 n TYR 199 Cb 0.18 -0.29 0.03 0.00 -0.38 0.00 0.00 39.34 38.88 3a13 n TYR 199 CO 0.00 0.00 0.00 -1.71 -2.08 0.00 0.00 176.86 173.07 3a13 n ASN 200 N -1.29 -2.89 -4.75 9.48 2.85 -0.61 -4.16 115.26 113.89 3a13 n ASN 200 Ca 0.14 -3.16 -0.41 0.00 -0.11 0.00 0.00 54.58 51.04 3a13 n ASN 200 Cb 0.24 1.67 -0.02 0.00 1.24 0.00 0.00 39.78 42.92 3a13 n ASN 200 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 3a13 s ARG 201 N 0.66 4.19 0.16 1.20 1.81 -1.01 -3.69 118.95 122.28 3a13 s ARG 201 Ca 0.32 2.44 -0.19 0.00 -1.72 0.00 0.00 55.73 56.57 3a13 s ARG 201 Cb 0.16 -3.06 0.07 0.00 -0.45 0.00 0.00 34.95 31.67 3a13 s ARG 201 CO -0.19 -0.52 1.65 0.35 -0.68 0.00 0.00 175.30 175.91 3a13 h PHE 202 N 4.87 -0.42 -0.66 -0.53 3.57 -1.85 -1.85 116.94 120.06 3a13 h PHE 202 Ca -0.47 0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.02 3a13 h PHE 202 Cb 1.22 0.24 -0.03 0.00 2.79 0.00 0.00 35.95 40.17 3a13 h PHE 202 CO 0.59 -0.25 0.22 1.05 -2.23 0.00 0.00 178.31 177.69 3a13 h GLU 203 N -0.12 1.00 -0.35 1.11 9.09 -1.96 -0.38 114.58 122.97 3a13 h GLU 203 Ca 0.17 -0.19 -0.00 0.00 0.05 0.00 0.00 59.36 59.39 3a13 h GLU 203 Cb 0.38 -0.16 -0.02 0.00 -1.65 0.00 0.00 28.75 27.31 3a13 h GLU 203 CO -0.42 0.85 0.20 0.93 0.05 0.00 0.00 179.01 180.62 3a13 h GLU 204 N 0.97 0.48 0.00 1.06 5.08 -1.84 -0.50 114.58 119.82 3a13 h GLU 204 Ca 0.22 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.48 3a13 h GLU 204 Cb 0.26 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 3a13 h GLU 204 CO -0.01 0.38 -0.24 0.07 -1.00 0.00 0.00 179.01 178.21 3a13 h ARG 205 N 0.45 0.00 -0.12 2.33 0.11 -1.08 -2.81 114.38 113.26 3a13 h ARG 205 Ca 0.13 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.17 3a13 h ARG 205 Cb 0.03 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.10 3a13 h ARG 205 CO -0.02 0.24 -0.06 0.00 0.10 0.00 0.00 179.97 180.23 3a13 h ALA 206 N 1.76 0.17 -0.61 0.08 0.00 -0.70 -1.85 119.26 118.11 3a13 h ALA 206 Ca -0.00 -0.25 0.06 0.00 0.00 0.00 0.00 54.91 54.72 3a13 h ALA 206 Cb 0.94 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.63 3a13 h ALA 206 CO 0.03 -0.05 0.30 0.93 0.00 0.00 0.00 179.25 180.46 3a13 h GLU 207 N -0.09 0.55 -0.71 0.00 5.08 -1.04 -0.80 114.58 117.56 3a13 h GLU 207 Ca 0.03 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 3a13 h GLU 207 Cb 0.51 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 3a13 h GLU 207 CO 0.02 0.36 0.19 0.82 -1.00 0.00 0.00 179.01 179.40 3a13 h ILE 208 N 0.56 1.26 -0.00 3.13 2.04 -1.48 -2.50 117.51 120.52 3a13 h ILE 208 Ca 0.28 -0.93 -0.16 0.00 1.00 0.00 0.00 64.86 65.04 3a13 h ILE 208 Cb 0.22 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 3a13 h ILE 208 CO -0.21 0.36 -0.77 0.24 0.00 0.00 0.00 178.15 177.77 3a13 h MET 209 N 1.06 0.03 -0.23 2.37 2.86 -0.97 0.38 114.93 120.44 3a13 h MET 209 Ca 0.23 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.84 3a13 h MET 209 Cb 0.34 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.99 3a13 h MET 209 CO -0.00 0.79 0.15 0.00 1.06 0.00 0.00 176.91 178.90 3a13 h ALA 210 N 1.20 0.29 0.41 6.32 0.00 -1.00 0.15 119.26 126.64 3a13 h ALA 210 Ca -0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3a13 h ALA 210 Cb 1.36 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 3a13 h ALA 210 CO 0.10 -0.24 -0.23 0.87 0.00 0.00 0.00 179.25 179.75 3a13 h LYS 211 N 0.31 -0.59 -0.35 0.00 6.56 -1.20 -2.38 116.57 118.92 3a13 h LYS 211 Ca 0.08 0.04 -0.03 0.00 -1.06 0.00 0.00 60.65 59.68 3a13 h LYS 211 Cb -0.03 0.13 -0.02 0.00 -0.57 0.00 0.00 32.23 31.74 3a13 h LYS 211 CO -0.02 -0.39 0.09 0.82 -2.06 0.00 0.00 179.45 177.89 3a13 h ILE 212 N -0.61 1.16 -0.26 1.86 2.04 -0.85 -0.82 117.51 120.03 3a13 h ILE 212 Ca -0.05 -0.56 -0.08 0.00 1.00 0.00 0.00 64.86 65.16 3a13 h ILE 212 Cb 0.49 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 3a13 h ILE 212 CO 0.06 0.21 -0.17 0.40 0.00 0.00 0.00 178.15 178.65 3a13 h ILE 213 N 0.51 1.31 -0.30 -0.67 2.04 -0.89 -1.08 117.51 118.41 3a13 h ILE 213 Ca 0.12 -1.29 0.03 0.00 1.00 0.00 0.00 64.86 64.72 3a13 h ILE 213 Cb 0.19 1.58 -0.03 0.00 -0.74 0.00 0.00 36.82 37.82 3a13 h ILE 213 CO -0.00 0.40 0.13 0.44 0.00 0.00 0.00 178.15 179.12 3a13 h ASP 214 N 0.29 0.18 -0.31 1.72 3.32 -0.90 -0.64 116.42 120.08 3a13 h ASP 214 Ca 0.05 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.12 3a13 h ASP 214 Cb 0.70 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.22 3a13 h ASP 214 CO 0.05 0.14 0.19 0.50 -1.72 0.00 0.00 179.24 178.39 3a13 h LYS 215 N 0.29 0.42 -0.29 3.56 3.64 -1.09 -1.37 116.57 121.73 3a13 h LYS 215 Ca 0.13 -0.04 -0.18 0.00 -1.27 0.00 0.00 60.65 59.29 3a13 h LYS 215 Cb 0.07 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 31.80 3a13 h LYS 215 CO -0.11 0.33 -0.52 0.28 -2.27 0.00 0.00 179.45 177.17 3a13 h VAL 216 N 0.40 1.28 -0.19 2.00 2.07 -1.04 0.26 116.25 121.03 3a13 h VAL 216 Ca 0.11 -1.71 -0.01 0.00 0.82 0.00 0.00 66.70 65.91 3a13 h VAL 216 Cb 0.02 1.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 3a13 h VAL 216 CO -0.02 0.56 0.08 -0.33 0.02 0.00 0.00 177.57 177.87 3a13 h GLU 217 N 0.66 0.28 -0.52 1.57 5.08 -1.08 -0.06 114.58 120.51 3a13 h GLU 217 Ca 0.02 -0.05 0.06 0.00 -1.00 0.00 0.00 59.36 58.39 3a13 h GLU 217 Cb 1.12 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 30.27 3a13 h GLU 217 CO 0.12 0.34 0.23 -0.97 -1.00 0.00 0.00 179.01 177.73 3a13 h ASN 218 N 0.15 0.30 0.76 1.42 -0.00 -1.15 0.18 115.58 117.23 3a13 h ASN 218 Ca 0.06 0.04 -0.11 0.00 -0.00 0.00 0.00 56.30 56.29 3a13 h ASN 218 Cb 0.16 -0.00 -0.02 0.00 -0.00 0.00 0.00 38.32 38.46 3a13 h ASN 218 CO -0.01 0.20 -0.54 -0.33 -0.00 0.00 0.00 177.43 176.76 3a13 h GLU 219 N 0.45 0.00 0.00 6.67 5.08 -0.61 -3.35 114.58 122.82 3a13 h GLU 219 Ca 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 3a13 h GLU 219 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 3a13 h GLU 219 CO -0.20 0.54 -0.76 0.25 -1.00 0.00 0.00 179.01 177.83 3a13 n THR 220 N -3.66 0.00 -0.90 1.13 -2.24 -0.06 -4.99 114.28 103.56 3a13 n THR 220 Ca -0.01 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 3a13 n THR 220 Cb 0.59 0.69 0.00 0.00 -2.10 0.00 0.00 70.33 69.51 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 1.65 0.40 3.80 3.38 0.00 0.61 -5.01 105.19 110.02 3a13 n GLY 221 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.70 3.04 0.18 1.61 2.02 -1.25 -5.04 118.70 118.56 3a13 s GLU 222 Ca 0.00 -0.57 -0.28 0.00 0.02 0.00 0.00 54.97 54.14 3a13 s GLU 222 Cb 0.00 -2.83 -0.08 0.00 0.10 0.00 0.00 34.13 31.32 3a13 s GLU 222 CO 0.00 0.60 0.88 0.15 0.02 0.00 0.00 175.26 176.92 3a13 s LYS 223 N -2.17 4.72 0.26 1.61 -0.14 -1.26 -4.17 119.74 118.60 3a13 s LYS 223 Ca 0.28 1.35 0.07 0.00 -1.36 0.00 0.00 55.97 56.31 3a13 s LYS 223 Cb -0.12 -3.30 -0.05 0.00 -1.68 0.00 0.00 37.83 32.68 3a13 s LYS 223 CO 0.20 0.47 -0.09 0.15 -0.76 0.00 0.00 175.35 175.32 3a13 s LYS 224 N -0.89 1.52 0.37 1.68 -0.14 -1.26 -4.88 119.74 116.14 3a13 s LYS 224 Ca 0.40 -1.74 -0.10 0.00 -1.36 0.00 0.00 55.97 53.17 3a13 s LYS 224 Cb -0.24 -1.21 0.03 0.00 -1.68 0.00 0.00 37.83 34.73 3a13 s LYS 224 CO 0.29 0.10 0.66 -0.08 -0.76 0.00 0.00 175.35 175.55 3a13 s THR 225 N -2.95 0.00 -0.18 2.17 -1.32 -0.65 -5.00 115.64 107.71 3a13 s THR 225 Ca 0.28 -1.26 -0.07 0.00 -1.21 0.00 0.00 61.69 59.43 3a13 s THR 225 Cb 0.02 -2.80 0.08 0.00 -1.51 0.00 0.00 72.50 68.30 3a13 s THR 225 CO 0.11 0.00 0.39 0.86 -2.21 0.00 0.00 174.62 173.77 3a13 s TRP 226 N -2.59 -0.71 -0.88 9.09 -0.00 -1.26 -2.64 118.94 119.96 3a13 s TRP 226 Ca 0.22 1.40 -0.22 0.00 -0.00 0.00 0.00 56.10 57.49 3a13 s TRP 226 Cb -0.03 0.23 0.07 0.00 -0.00 0.00 0.00 33.47 33.74 3a13 s TRP 226 CO 0.16 -0.45 1.24 -0.06 -0.00 0.00 0.00 176.95 177.84 3a13 s PHE 227 N 2.48 2.67 -0.29 5.86 0.08 -0.46 -4.25 117.98 124.07 3a13 s PHE 227 Ca -0.02 -0.79 -0.21 0.00 0.12 0.00 0.00 56.93 56.03 3a13 s PHE 227 Cb -0.12 -4.50 -0.01 0.00 -0.57 0.00 0.00 43.02 37.82 3a13 s PHE 227 CO -0.12 -1.79 0.68 0.00 -0.10 0.00 0.00 175.22 173.89 3a13 s ALA 228 N 4.33 3.55 -0.64 5.36 0.00 -1.26 -1.88 121.76 131.23 3a13 s ALA 228 Ca 0.36 -0.52 -0.27 0.00 0.00 0.00 0.00 51.96 51.53 3a13 s ALA 228 Cb -0.06 -3.15 0.03 0.00 0.00 0.00 0.00 23.12 19.95 3a13 s ALA 228 CO -0.02 -1.04 1.19 1.21 0.00 0.00 0.00 175.76 177.10 3a13 s ASN 229 N 1.58 6.32 0.00 0.00 2.47 -1.26 0.34 114.94 124.39 3a13 s ASN 229 Ca 0.28 -0.20 0.27 0.00 0.42 0.00 0.00 52.86 53.63 3a13 s ASN 229 Cb -0.15 -2.54 0.90 0.00 -1.45 0.00 0.00 41.25 38.01 3a13 s ASN 229 CO 0.11 -1.58 1.67 2.30 -3.72 0.00 0.00 177.10 175.88 3a13 n ILE 230 N 6.48 0.00 -1.63 -5.21 -5.35 -0.52 -4.74 119.36 108.39 3a13 n ILE 230 Ca 0.05 -0.04 -0.62 0.00 -0.27 0.00 0.00 62.75 61.87 3a13 n ILE 230 Cb 0.49 0.04 -0.09 0.00 -1.74 0.00 0.00 39.64 38.34 3a13 n ILE 230 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 3a13 n THR 231 N -1.18 0.03 -1.27 7.28 -1.04 -1.26 -4.43 114.28 112.42 3a13 n THR 231 Ca 0.10 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.10 3a13 n THR 231 Cb 0.32 -0.38 0.00 0.00 -1.82 0.00 0.00 70.33 68.45 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 2.96 0.00 -0.61 2.41 0.00 -1.26 -4.85 120.51 119.15 3a13 n ALA 232 Ca 0.25 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.39 3a13 n ALA 232 Cb 0.04 0.00 0.20 0.00 0.00 0.00 0.00 19.45 19.68 3a13 n ALA 232 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3a13 n ASP 233 N 0.43 -0.31 0.25 0.00 8.00 -1.26 -4.67 116.55 118.99 3a13 n ASP 233 Ca 0.00 0.25 -0.17 0.00 0.71 0.00 0.00 54.79 55.58 3a13 n ASP 233 Cb 0.00 -1.41 -0.09 0.00 -0.02 0.00 0.00 41.12 39.60 3a13 n ASP 233 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3a13 h LEU 234 N -2.14 -1.23 -0.41 0.64 5.85 -1.99 -0.87 115.31 115.16 3a13 h LEU 234 Ca -0.49 0.11 0.09 0.00 0.84 0.00 0.00 57.88 58.43 3a13 h LEU 234 Cb 1.29 0.42 -0.09 0.00 0.37 0.00 0.00 40.66 42.65 3a13 h LEU 234 CO 0.43 -0.59 -0.16 -0.07 -0.34 0.00 0.00 178.44 177.71 3a13 h LEU 235 N -0.87 -0.57 -1.54 2.25 4.07 -2.00 0.21 115.31 116.85 3a13 h LEU 235 Ca -0.04 0.15 -0.03 0.00 0.08 0.00 0.00 57.88 58.04 3a13 h LEU 235 Cb 0.78 0.33 -0.00 0.00 1.08 0.00 0.00 40.66 42.85 3a13 h LEU 235 CO -0.09 -0.20 -0.13 1.05 -1.08 0.00 0.00 178.44 177.99 3a13 h GLU 236 N -0.08 0.00 -0.59 1.13 9.09 -1.83 -1.91 114.58 120.39 3a13 h GLU 236 Ca 0.20 0.00 -0.10 0.00 0.05 0.00 0.00 59.36 59.51 3a13 h GLU 236 Cb 0.39 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.47 3a13 h GLU 236 CO -0.47 0.13 -0.03 0.52 0.05 0.00 0.00 179.01 179.21 3a13 h MET 237 N 0.00 1.06 -0.30 1.06 2.86 0.79 -1.57 114.93 118.83 3a13 h MET 237 Ca -0.00 -0.35 -0.02 0.00 -2.06 0.00 0.00 59.70 57.27 3a13 h MET 237 Cb 0.53 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.09 3a13 h MET 237 CO 0.02 1.05 0.12 0.93 1.06 0.00 0.00 176.91 180.09 3a13 h GLU 238 N 0.96 0.45 -0.77 1.72 5.08 -0.62 -0.66 114.58 120.75 3a13 h GLU 238 Ca 0.16 -0.08 0.03 0.00 -1.00 0.00 0.00 59.36 58.47 3a13 h GLU 238 Cb 0.60 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.73 3a13 h GLU 238 CO 0.04 0.46 0.49 1.96 -1.00 0.00 0.00 179.01 180.96 3a13 h GLN 239 N 0.34 0.94 -0.34 2.33 4.20 -1.30 -1.88 115.11 119.40 3a13 h GLN 239 Ca 0.10 -0.06 -0.14 0.00 0.06 0.00 0.00 58.65 58.62 3a13 h GLN 239 Cb 0.18 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 3a13 h GLN 239 CO -0.01 0.62 -0.34 0.00 -0.67 0.00 0.00 178.83 178.43 3a13 h ARG 240 N 0.96 0.76 -0.72 1.46 3.08 -1.03 -0.84 114.38 118.05 3a13 h ARG 240 Ca 0.31 -0.36 0.00 0.00 0.07 0.00 0.00 59.98 59.99 3a13 h ARG 240 Cb 0.00 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.01 3a13 h ARG 240 CO -0.11 0.98 0.45 -0.07 -1.07 0.00 0.00 179.97 180.16 3a13 h LEU 241 N 0.63 0.85 -0.39 3.04 3.38 -0.93 -2.37 115.31 119.52 3a13 h LEU 241 Ca 0.06 -0.04 -0.17 0.00 0.09 0.00 0.00 57.88 57.83 3a13 h LEU 241 Cb 0.88 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 3a13 h LEU 241 CO 0.08 0.64 -0.47 -0.08 0.09 0.00 0.00 178.44 178.70 3a13 h GLU 242 N 0.99 0.85 -0.57 1.13 4.81 -0.73 -0.97 114.58 120.10 3a13 h GLU 242 Ca 0.26 -0.49 0.06 0.00 -0.13 0.00 0.00 59.36 59.06 3a13 h GLU 242 Cb -0.07 0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.30 3a13 h GLU 242 CO -0.05 1.13 0.26 0.28 -0.73 0.00 0.00 179.01 179.90 3a13 h VAL 243 N 0.68 0.89 -0.24 0.32 2.07 -1.01 -0.38 116.25 118.58 3a13 h VAL 243 Ca 0.04 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 3a13 h VAL 243 Cb 1.06 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 3a13 h VAL 243 CO 0.11 0.09 0.12 -0.07 0.02 0.00 0.00 177.57 177.84 3a13 h LEU 244 N 0.49 0.31 -0.35 2.57 3.38 -1.07 -2.40 115.31 118.24 3a13 h LEU 244 Ca 0.27 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 3a13 h LEU 244 Cb 0.23 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3a13 h LEU 244 CO -0.22 0.33 0.16 0.00 0.09 0.00 0.00 178.44 178.80 3a13 h ALA 245 N 0.99 0.46 -0.05 1.53 0.00 -0.91 -1.55 119.26 119.72 3a13 h ALA 245 Ca 0.08 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3a13 h ALA 245 Cb 0.10 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 3a13 h ALA 245 CO -0.01 0.03 0.04 -0.44 0.00 0.00 0.00 179.25 178.87 3a13 h ASP 246 N 0.43 0.05 -0.02 0.00 5.19 -0.97 -0.45 116.42 120.65 3a13 h ASP 246 Ca 0.12 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.53 3a13 h ASP 246 Cb 0.14 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 39.64 3a13 h ASP 246 CO -0.01 0.03 0.00 0.18 -3.12 0.00 0.00 179.24 176.32 3a13 n LEU 247 N -4.53 1.40 -1.81 1.55 4.77 -0.91 -4.94 117.00 112.53 3a13 n LEU 247 Ca -0.02 -0.47 -0.15 0.00 -0.03 0.00 0.00 56.01 55.34 3a13 n LEU 247 Cb 0.10 -0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.19 3a13 n LEU 247 CO 0.34 0.23 -0.15 0.61 -1.33 0.00 0.00 177.39 177.09 3a13 n GLY 248 N 1.16 -0.23 3.92 -0.72 0.00 -0.18 -4.95 105.19 104.20 3a13 n GLY 248 Ca 0.19 -0.23 -0.28 0.00 0.00 0.00 0.00 46.02 45.70 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 -4.41 2.70 -0.00 0.99 1.43 -0.61 -5.04 118.68 113.73 3a13 s LEU 249 Ca 0.05 0.47 0.03 0.00 -1.03 0.00 0.00 54.13 53.65 3a13 s LEU 249 Cb -0.02 -2.92 -0.04 0.00 0.03 0.00 0.00 46.19 43.24 3a13 s LEU 249 CO 0.06 -1.96 0.10 0.29 0.23 0.00 0.00 176.35 175.06 3a13 n LYS 250 N -3.23 2.87 -4.24 1.70 5.02 -1.26 -4.75 118.16 114.28 3a13 n LYS 250 Ca 0.10 -0.02 -0.17 0.00 -2.02 0.00 0.00 58.31 56.20 3a13 n LYS 250 Cb 0.60 -0.87 -0.13 0.00 -0.02 0.00 0.00 35.03 34.61 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 -1.78 0.83 -0.08 2.13 3.76 -1.26 -0.82 115.29 118.07 3a13 s HIS 251 Ca -0.00 -0.29 0.04 0.00 -0.15 0.00 0.00 55.06 54.66 3a13 s HIS 251 Cb 0.02 -0.51 0.00 0.00 1.11 0.00 0.00 32.58 33.20 3a13 s HIS 251 CO 0.13 -0.02 -0.21 0.00 -0.85 0.00 0.00 174.74 173.80 3a13 s ALA 252 N -0.70 1.88 -0.14 -1.40 0.00 0.94 -4.06 121.76 118.28 3a13 s ALA 252 Ca -0.01 -0.82 -0.09 0.00 0.00 0.00 0.00 51.96 51.04 3a13 s ALA 252 Cb -0.06 -0.70 -0.04 0.00 0.00 0.00 0.00 23.12 22.32 3a13 s ALA 252 CO 0.00 0.27 0.17 1.41 0.00 0.00 0.00 175.76 177.61 3a13 s MET 253 N 0.31 3.76 -0.03 0.00 1.75 0.15 0.25 119.30 125.49 3a13 s MET 253 Ca -0.14 -0.10 0.02 0.00 -1.25 0.00 0.00 55.69 54.22 3a13 s MET 253 Cb -0.16 -3.28 0.01 0.00 2.84 0.00 0.00 34.83 34.23 3a13 s MET 253 CO 0.06 0.59 -0.09 0.08 -0.65 0.00 0.00 175.02 175.01 3a13 s VAL 254 N -0.50 0.77 -0.90 10.11 1.01 0.38 -1.44 120.40 129.83 3a13 s VAL 254 Ca 0.14 -0.34 -0.25 0.00 0.00 0.00 0.00 61.98 61.53 3a13 s VAL 254 Cb -0.12 -0.70 0.04 0.00 0.00 0.00 0.00 36.38 35.60 3a13 s VAL 254 CO 0.03 0.25 1.42 -1.81 0.00 0.00 0.00 175.10 174.99 3a13 s ASP 255 N 0.27 6.29 0.18 3.32 1.01 -1.26 -0.72 116.67 125.76 3a13 s ASP 255 Ca -0.04 -1.02 -0.09 0.00 0.71 0.00 0.00 52.55 52.11 3a13 s ASP 255 Cb -0.09 -2.56 0.06 0.00 1.01 0.00 0.00 42.92 41.33 3a13 s ASP 255 CO 0.01 -1.70 1.62 -0.37 0.21 0.00 0.00 175.17 174.93 3a13 h VAL 256 N 6.55 1.27 -0.30 -1.27 -1.51 -1.33 -0.50 116.25 119.16 3a13 h VAL 256 Ca 0.01 -1.23 -0.02 0.00 -1.23 0.00 0.00 66.70 64.23 3a13 h VAL 256 Cb 1.03 0.89 -0.01 0.00 -2.13 0.00 0.00 31.29 31.06 3a13 h VAL 256 CO 1.36 0.44 0.10 0.58 -1.23 0.00 0.00 177.57 178.82 3a13 h VAL 257 N 0.95 1.20 -0.35 7.19 2.07 -1.79 -1.81 116.25 123.71 3a13 h VAL 257 Ca 0.15 -0.62 -0.04 0.00 0.82 0.00 0.00 66.70 67.01 3a13 h VAL 257 Cb 0.63 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 3a13 h VAL 257 CO 0.04 0.21 0.06 0.40 0.02 0.00 0.00 177.57 178.31 3a13 h ILE 258 N 0.32 1.23 -0.86 4.57 2.04 -1.68 -2.98 117.51 120.15 3a13 h ILE 258 Ca 0.10 -0.82 0.12 0.00 1.00 0.00 0.00 64.86 65.26 3a13 h ILE 258 Cb 0.23 1.09 -0.08 0.00 -0.74 0.00 0.00 36.82 37.31 3a13 h ILE 258 CO -0.00 0.28 0.49 0.74 0.00 0.00 0.00 178.15 179.65 3a13 h THR 259 N 0.42 0.85 0.00 -0.27 2.02 -0.92 -3.48 112.91 111.53 3a13 h THR 259 Ca 0.11 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 67.03 3a13 h THR 259 Cb 0.34 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.76 3a13 h THR 259 CO 0.01 0.14 0.00 0.61 0.37 0.00 0.00 175.52 176.65 3a13 n GLY 260 N -1.33 -0.51 0.15 2.16 0.00 -0.69 -4.67 105.19 100.29 3a13 n GLY 260 Ca 0.16 -1.71 0.02 0.00 0.00 0.00 0.00 46.02 44.48 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 -0.08 1.61 4.06 -1.88 -3.22 115.95 116.43 3a13 h TRP 261 Ca 0.00 0.00 -0.07 0.00 2.06 0.00 0.00 58.89 60.88 3a13 h TRP 261 Cb 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.15 3a13 h TRP 261 CO 0.00 0.54 -0.26 0.78 -3.56 0.00 0.00 178.44 175.94 3a13 h GLY 262 N 2.66 0.15 -0.03 1.49 0.00 -2.00 -3.30 103.07 102.04 3a13 h GLY 262 Ca -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.22 3a13 h GLY 262 CO 0.07 0.10 -0.19 0.00 0.00 0.00 0.00 176.54 176.52 3a13 n ALA 263 N -2.48 2.56 -0.28 3.60 0.00 -1.25 -4.75 120.51 117.91 3a13 n ALA 263 Ca -0.01 -0.15 -0.06 0.00 0.00 0.00 0.00 53.44 53.21 3a13 n ALA 263 Cb 0.34 -0.16 0.06 0.00 0.00 0.00 0.00 19.45 19.70 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 0.07 1.09 -0.80 0.00 5.85 -1.64 -0.76 115.31 119.12 3a13 h LEU 264 Ca 0.00 -0.19 -0.09 0.00 0.84 0.00 0.00 57.88 58.44 3a13 h LEU 264 Cb 0.11 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 3a13 h LEU 264 CO 0.00 0.99 -0.03 -0.09 -0.34 0.00 0.00 178.44 178.97 3a13 h ARG 265 N 1.13 0.87 -0.51 1.25 2.43 -1.85 0.89 114.38 118.59 3a13 h ARG 265 Ca 0.25 -0.26 -0.07 0.00 -0.81 0.00 0.00 59.98 59.09 3a13 h ARG 265 Cb 0.26 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 3a13 h ARG 265 CO -0.01 0.89 0.05 -0.92 -1.51 0.00 0.00 179.97 178.46 3a13 h TYR 266 N 0.80 0.93 -0.62 2.20 3.20 -1.74 0.06 116.97 121.80 3a13 h TYR 266 Ca 0.15 -0.14 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 3a13 h TYR 266 Cb 0.52 -0.25 -0.03 0.00 1.54 0.00 0.00 36.73 38.51 3a13 h TYR 266 CO 0.03 0.86 0.29 0.82 -1.64 0.00 0.00 178.16 178.52 3a13 h ILE 267 N 0.74 1.22 -0.30 1.81 1.08 -0.80 -0.53 117.51 120.73 3a13 h ILE 267 Ca 0.15 -0.62 -0.01 0.00 -0.39 0.00 0.00 64.86 63.98 3a13 h ILE 267 Cb 0.45 0.48 -0.01 0.00 -3.07 0.00 0.00 36.82 34.67 3a13 h ILE 267 CO 0.02 0.25 0.13 -0.09 -0.69 0.00 0.00 178.15 177.77 3a13 h ARG 268 N 0.86 0.44 -0.76 2.37 1.12 -0.60 -0.26 114.38 117.56 3a13 h ARG 268 Ca 0.21 -0.07 -0.01 0.00 -1.11 0.00 0.00 59.98 59.00 3a13 h ARG 268 Cb 0.13 -0.08 -0.04 0.00 -0.01 0.00 0.00 29.97 29.98 3a13 h ARG 268 CO -0.03 0.43 0.44 -0.44 -3.11 0.00 0.00 179.97 177.27 3a13 h ASP 269 N 0.35 0.93 -0.53 -3.80 3.32 -0.83 -0.68 116.42 115.17 3a13 h ASP 269 Ca 0.10 -0.08 -0.04 0.00 0.02 0.00 0.00 57.03 57.03 3a13 h ASP 269 Cb 0.15 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 3a13 h ASP 269 CO -0.01 0.73 0.17 0.25 -1.72 0.00 0.00 179.24 178.66 3a13 h LEU 270 N 1.04 0.77 -0.82 1.55 5.85 -0.89 -1.92 115.31 120.89 3a13 h LEU 270 Ca 0.27 -0.20 -0.09 0.00 0.84 0.00 0.00 57.88 58.69 3a13 h LEU 270 Cb -0.00 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 3a13 h LEU 270 CO -0.05 0.77 -0.13 0.00 -0.34 0.00 0.00 178.44 178.69 3a13 h ALA 271 N 1.03 1.00 0.08 1.25 0.00 -0.71 -2.36 119.26 119.55 3a13 h ALA 271 Ca 0.17 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 3a13 h ALA 271 Cb 0.27 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3a13 h ALA 271 CO -0.01 0.60 -0.04 0.00 0.00 0.00 0.00 179.25 179.80 3a13 h ALA 272 N 1.18 -0.10 -0.91 0.00 0.00 -0.99 0.40 119.26 118.84 3a13 h ALA 272 Ca 0.11 -0.08 0.16 0.00 0.00 0.00 0.00 54.91 55.10 3a13 h ALA 272 Cb 0.61 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.36 3a13 h ALA 272 CO 0.04 -0.49 0.58 -0.44 0.00 0.00 0.00 179.25 178.94 3a13 h ASP 273 N -0.24 0.62 0.32 0.00 3.32 -1.23 0.57 116.42 119.79 3a13 h ASP 273 Ca -0.01 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.09 3a13 h ASP 273 Cb 0.20 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.68 3a13 h ASP 273 CO 0.02 0.29 -0.03 -1.22 -1.72 0.00 0.00 179.24 176.58 3a13 n TYR 274 N -4.58 0.00 -2.76 4.55 4.01 -0.90 -4.91 117.16 112.58 3a13 n TYR 274 Ca 0.19 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.76 3a13 n TYR 274 Cb 0.53 -0.16 0.02 0.00 -0.31 0.00 0.00 39.34 39.42 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 1.19 -0.19 3.68 2.72 0.00 0.20 -4.87 105.19 107.91 3a13 n GLY 275 Ca 0.17 -0.14 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 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 -4.91 3.86 0.42 0.99 1.43 0.13 -4.88 118.68 115.72 3a13 s LEU 276 Ca 0.20 0.15 -0.23 0.00 -1.03 0.00 0.00 54.13 53.22 3a13 s LEU 276 Cb -0.09 -1.96 -0.09 0.00 0.03 0.00 0.00 46.19 44.08 3a13 s LEU 276 CO 0.25 0.24 1.01 0.00 0.23 0.00 0.00 176.35 178.07 3a13 s ALA 277 N -0.02 3.03 -0.20 4.21 0.00 -0.00 -4.22 121.76 124.55 3a13 s ALA 277 Ca 0.06 0.58 -0.06 0.00 0.00 0.00 0.00 51.96 52.54 3a13 s ALA 277 Cb -0.12 -3.23 -0.03 0.00 0.00 0.00 0.00 23.12 19.74 3a13 s ALA 277 CO 0.01 -0.11 0.02 0.42 0.00 0.00 0.00 175.76 176.11 3a13 s ILE 278 N -1.86 4.19 -0.32 0.00 1.01 -1.26 -0.04 121.20 122.91 3a13 s ILE 278 Ca 0.60 -0.23 -0.12 0.00 0.00 0.00 0.00 60.65 60.90 3a13 s ILE 278 Cb -0.17 -2.90 -0.03 0.00 0.01 0.00 0.00 42.46 39.37 3a13 s ILE 278 CO 0.21 0.42 0.22 -2.28 0.00 0.00 0.00 174.94 173.51 3a13 s HIS 279 N 0.96 3.22 -0.33 3.97 2.46 0.14 -1.98 115.29 123.74 3a13 s HIS 279 Ca 0.02 -0.14 -0.15 0.00 0.47 0.00 0.00 55.06 55.26 3a13 s HIS 279 Cb -0.14 -2.44 -0.02 0.00 -0.13 0.00 0.00 32.58 29.85 3a13 s HIS 279 CO 0.02 -0.31 0.36 0.20 -2.47 0.00 0.00 174.74 172.54 3a13 s GLY 280 N 1.72 1.90 -0.12 1.59 0.00 0.18 -0.47 107.32 112.11 3a13 s GLY 280 Ca 0.06 -1.12 -0.08 0.00 0.00 0.00 0.00 44.72 43.57 3a13 s GLY 280 CO 0.10 0.98 0.17 -1.58 0.00 0.00 0.00 173.10 172.77 3a13 s HIS 281 N 2.02 3.58 -0.24 1.90 2.46 0.10 -3.07 115.29 122.05 3a13 s HIS 281 Ca 0.12 0.55 0.14 0.00 0.47 0.00 0.00 55.06 56.34 3a13 s HIS 281 Cb -0.16 -2.02 0.74 0.00 -0.13 0.00 0.00 32.58 31.00 3a13 s HIS 281 CO 0.11 0.64 1.68 2.89 -2.47 0.00 0.00 174.74 177.59 3a13 n ARG 282 N 2.26 4.26 -1.54 2.88 1.85 -1.26 -0.83 116.66 124.30 3a13 n ARG 282 Ca -0.18 -3.09 -0.51 0.00 -1.00 0.00 0.00 57.85 53.07 3a13 n ARG 282 Cb 0.54 -2.16 -0.05 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 0.23 -1.64 0.00 2.89 0.00 -1.26 -1.20 120.51 119.53 3a13 n ALA 283 Ca 0.28 0.49 0.00 0.00 0.00 0.00 0.00 53.44 54.20 3a13 n ALA 283 Cb 1.15 -1.91 0.00 0.00 0.00 0.00 0.00 19.45 18.69 3a13 n ALA 283 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 3a13 n MET 284 N 1.59 0.00 -0.25 0.00 0.00 -1.26 -3.99 117.12 113.20 3a13 n MET 284 Ca 0.16 0.00 0.04 0.00 -0.00 0.00 0.00 57.70 57.90 3a13 n MET 284 Cb 0.21 -0.12 0.17 0.00 0.00 0.00 0.00 33.22 33.48 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 0.55 0.00 1.12 -0.00 -1.57 -1.60 115.15 113.66 3a13 h HIS 285 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.40 3a13 h HIS 285 Cb 0.00 -0.13 0.00 0.00 -0.00 0.00 0.00 27.41 27.28 3a13 h HIS 285 CO 0.00 0.12 0.00 0.00 -0.00 0.00 0.00 177.93 178.05 3a13 n ALA 286 N -2.47 1.23 0.26 6.11 0.00 -1.26 -0.52 120.51 123.86 3a13 n ALA 286 Ca 0.13 -0.01 0.13 0.00 0.00 0.00 0.00 53.44 53.69 3a13 n ALA 286 Cb 0.37 -1.04 0.70 0.00 0.00 0.00 0.00 19.45 19.47 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 2.11 1.18 0.00 0.00 0.00 -1.70 -3.33 119.26 117.53 3a13 h ALA 287 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3a13 h ALA 287 Cb 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3a13 h ALA 287 CO 0.00 0.15 -0.08 1.97 0.00 0.00 0.00 179.25 181.29 3a13 n PHE 288 N -3.50 0.00 1.00 0.00 1.16 0.32 -4.83 117.46 111.62 3a13 n PHE 288 Ca -0.01 0.00 0.11 0.00 -1.87 0.00 0.00 57.45 55.67 3a13 n PHE 288 Cb 0.27 0.00 -0.00 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 0.08 1.97 -2.24 -0.48 -1.38 114.28 111.87 3a13 n THR 289 Ca 0.00 -0.01 -0.20 0.00 -2.27 0.00 0.00 64.05 61.57 3a13 n THR 289 Cb 0.00 0.79 -0.15 0.00 -2.10 0.00 0.00 70.33 68.87 3a13 n THR 289 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 3a13 h ARG 290 N 0.11 0.34 -6.48 -0.78 2.43 -1.80 -3.42 114.38 104.77 3a13 h ARG 290 Ca 0.00 -0.58 -0.57 0.00 -0.81 0.00 0.00 59.98 58.02 3a13 h ARG 290 Cb 0.51 0.22 -0.06 0.00 -0.42 0.00 0.00 29.97 30.22 3a13 h ARG 290 CO 0.00 1.23 0.99 1.21 -1.51 0.00 0.00 179.97 181.90 3a13 s ASN 291 N -7.17 6.55 0.00 -3.80 3.84 -1.26 -4.89 114.94 108.20 3a13 s ASN 291 Ca -0.12 0.92 0.13 0.00 0.21 0.00 0.00 52.86 53.99 3a13 s ASN 291 Cb 0.06 -2.54 0.65 0.00 -0.55 0.00 0.00 41.25 38.87 3a13 s ASN 291 CO 0.86 -1.24 1.30 -0.81 -2.79 0.00 0.00 177.10 174.43 3a13 n PRO 292 N 7.68 0.20 0.00 0.43 -0.04 -1.26 -2.17 135.00 139.84 3a13 n PRO 292 Ca 0.15 0.15 0.05 0.00 -0.04 0.00 0.00 63.50 63.80 3a13 n PRO 292 Cb 0.48 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.43 3a13 n PRO 292 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3a13 n TYR 293 N -1.25 0.00 -3.64 0.54 4.01 -1.26 -4.93 117.16 110.63 3a13 n TYR 293 Ca 0.06 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.71 3a13 n TYR 293 Cb 0.09 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.05 3a13 n TYR 293 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 3a13 s HIS 294 N -1.39 -0.85 -0.17 -0.72 2.46 -0.92 -2.89 115.29 110.81 3a13 s HIS 294 Ca 0.08 1.84 0.00 0.00 0.47 0.00 0.00 55.06 57.45 3a13 s HIS 294 Cb 0.08 0.45 0.00 0.00 -0.13 0.00 0.00 32.58 32.98 3a13 s HIS 294 CO 0.26 -0.42 0.00 0.41 -2.47 0.00 0.00 174.74 172.53 3a13 n GLY 295 N 3.45 0.20 2.96 1.59 0.00 -0.18 -4.22 105.19 109.00 3a13 n GLY 295 Ca -0.17 -1.97 -0.24 0.00 0.00 0.00 0.00 46.02 43.64 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 -0.21 0.95 0.55 -0.61 1.01 -0.48 -1.44 121.20 120.98 3a13 s ILE 296 Ca 0.00 -0.34 -0.21 0.00 0.00 0.00 0.00 60.65 60.10 3a13 s ILE 296 Cb 0.00 -0.91 -0.05 0.00 0.01 0.00 0.00 42.46 41.51 3a13 s ILE 296 CO 0.00 0.32 1.31 -0.55 0.00 0.00 0.00 174.94 176.02 3a13 s SER 297 N 0.96 5.30 0.56 3.58 0.15 0.34 -3.71 113.70 120.88 3a13 s SER 297 Ca -0.09 2.64 0.27 0.00 0.70 0.00 0.00 55.95 59.47 3a13 s SER 297 Cb -0.15 -2.62 1.64 0.00 -1.71 0.00 0.00 66.02 63.18 3a13 s SER 297 CO 0.00 -1.54 2.18 -0.03 1.20 0.00 0.00 173.24 175.06 3a13 h MET 298 N 1.36 0.00 -0.82 5.44 4.05 -1.90 -2.42 114.93 120.65 3a13 h MET 298 Ca -0.51 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 58.88 3a13 h MET 298 Cb 1.30 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 32.06 3a13 h MET 298 CO 0.57 0.04 0.40 0.35 0.23 0.00 0.00 176.91 178.50 3a13 h PHE 299 N 0.00 1.17 -0.40 1.39 3.57 -1.90 0.17 116.94 120.95 3a13 h PHE 299 Ca -0.00 -0.05 -0.05 0.00 3.53 0.00 0.00 57.97 61.39 3a13 h PHE 299 Cb 0.11 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 38.47 3a13 h PHE 299 CO 0.00 0.85 0.03 0.28 -2.23 0.00 0.00 178.31 177.24 3a13 h VAL 300 N 1.15 1.25 -0.40 1.41 2.07 -1.65 -1.96 116.25 118.12 3a13 h VAL 300 Ca 0.28 -0.93 0.02 0.00 0.82 0.00 0.00 66.70 66.88 3a13 h VAL 300 Cb 0.11 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 3a13 h VAL 300 CO -0.04 0.32 0.24 -0.07 0.02 0.00 0.00 177.57 178.04 3a13 h LEU 301 N 0.51 0.38 -0.40 2.57 4.07 -1.29 -1.22 115.31 119.94 3a13 h LEU 301 Ca 0.12 0.00 0.02 0.00 0.08 0.00 0.00 57.88 58.10 3a13 h LEU 301 Cb 0.42 -0.08 -0.03 0.00 1.08 0.00 0.00 40.66 42.05 3a13 h LEU 301 CO 0.01 0.28 0.23 0.00 -1.08 0.00 0.00 178.44 177.88 3a13 h ALA 302 N 1.18 0.50 -0.16 1.53 0.00 -0.51 0.17 119.26 121.96 3a13 h ALA 302 Ca 0.16 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3a13 h ALA 302 Cb 0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3a13 h ALA 302 CO -0.07 -0.10 0.06 -0.22 0.00 0.00 0.00 179.25 178.92 3a13 h LYS 303 N 0.47 0.24 -0.61 0.00 3.64 -1.18 -1.85 116.57 117.28 3a13 h LYS 303 Ca 0.16 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.41 3a13 h LYS 303 Cb 0.01 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 3a13 h LYS 303 CO -0.07 0.34 0.04 -0.07 -2.27 0.00 0.00 179.45 177.42 3a13 h LEU 304 N 0.10 1.00 -0.63 5.20 3.38 -1.01 -0.71 115.31 122.64 3a13 h LEU 304 Ca 0.05 -0.26 -0.14 0.00 0.09 0.00 0.00 57.88 57.63 3a13 h LEU 304 Cb 0.19 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3a13 h LEU 304 CO -0.00 1.03 -0.39 1.88 0.09 0.00 0.00 178.44 181.04 3a13 h TYR 305 N 0.95 0.76 -0.10 1.13 0.05 -0.94 -0.97 116.97 117.86 3a13 h TYR 305 Ca 0.18 -0.22 -0.00 0.00 0.05 0.00 0.00 58.73 58.74 3a13 h TYR 305 Cb 0.49 -0.16 -0.00 0.00 1.01 0.00 0.00 36.73 38.06 3a13 h TYR 305 CO 0.03 0.93 0.06 -0.09 -1.05 0.00 0.00 178.16 178.05 3a13 h ARG 306 N 0.53 0.14 -0.36 4.88 2.43 -1.10 -0.42 114.38 120.47 3a13 h ARG 306 Ca 0.05 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.24 3a13 h ARG 306 Cb 0.91 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.39 3a13 h ARG 306 CO 0.08 0.14 0.13 -0.07 -1.51 0.00 0.00 179.97 178.74 3a13 h LEU 307 N 0.09 0.15 -0.57 3.80 3.38 -0.93 -2.03 115.31 119.19 3a13 h LEU 307 Ca 0.04 0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.07 3a13 h LEU 307 Cb 0.04 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 3a13 h LEU 307 CO -0.01 0.12 0.35 0.40 0.09 0.00 0.00 178.44 179.40 3a13 h ILE 308 N 0.29 1.07 0.00 1.22 2.04 -1.09 -1.39 117.51 119.65 3a13 h ILE 308 Ca 0.16 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.78 3a13 h ILE 308 Cb 0.13 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 36.53 3a13 h ILE 308 CO -0.16 0.13 0.00 0.61 0.00 0.00 0.00 178.15 178.73 3a13 n GLY 309 N -1.26 1.01 3.66 5.37 0.00 -0.50 -4.07 105.19 109.41 3a13 n GLY 309 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.01 4.18 0.27 -0.61 -1.09 -0.29 -4.21 121.20 118.44 3a13 s ILE 310 Ca 0.00 1.44 0.05 0.00 -2.23 0.00 0.00 60.65 59.91 3a13 s ILE 310 Cb 0.00 -3.93 0.00 0.00 -1.58 0.00 0.00 42.46 36.96 3a13 s ILE 310 CO 0.00 -0.11 1.64 0.44 -1.23 0.00 0.00 174.94 175.68 3a13 h ASP 311 N 8.27 0.27 -3.62 3.58 3.32 -1.81 -3.42 116.42 123.01 3a13 h ASP 311 Ca -0.29 -0.13 -0.28 0.00 0.02 0.00 0.00 57.03 56.35 3a13 h ASP 311 Cb 1.12 -0.08 -0.31 0.00 0.22 0.00 0.00 39.33 40.28 3a13 h ASP 311 CO 0.96 0.72 -0.73 -1.10 -1.72 0.00 0.00 179.24 177.36 3a13 s GLN 312 N -4.00 0.07 -0.04 3.56 -0.21 -0.84 0.32 119.66 118.52 3a13 s GLN 312 Ca -0.04 0.08 -0.02 0.00 0.02 0.00 0.00 55.36 55.39 3a13 s GLN 312 Cb 0.13 -0.21 0.03 0.00 1.00 0.00 0.00 33.01 33.95 3a13 s GLN 312 CO 0.78 -0.08 0.10 -1.17 -2.12 0.00 0.00 175.29 172.80 3a13 s LEU 313 N 0.60 1.16 0.12 2.90 2.96 -0.43 0.47 118.68 126.47 3a13 s LEU 313 Ca -0.05 0.21 -0.31 0.00 -0.22 0.00 0.00 54.13 53.75 3a13 s LEU 313 Cb -0.08 0.26 -0.09 0.00 0.50 0.00 0.00 46.19 46.79 3a13 s LEU 313 CO -0.02 -0.10 1.46 -1.00 -1.32 0.00 0.00 176.35 175.38 3a13 s HIS 314 N 0.71 3.12 0.00 5.38 3.76 -1.18 0.94 115.29 128.02 3a13 s HIS 314 Ca -0.05 0.80 0.00 0.00 -0.15 0.00 0.00 55.06 55.66 3a13 s HIS 314 Cb -0.07 -3.78 0.00 0.00 1.11 0.00 0.00 32.58 29.84 3a13 s HIS 314 CO -0.03 -2.82 0.00 1.33 -0.85 0.00 0.00 174.74 172.37 3a13 n VAL 315 N 4.03 0.00 0.00 -0.90 0.24 0.08 -4.82 118.33 116.96 3a13 n VAL 315 Ca 0.13 -0.44 0.00 0.00 -2.04 0.00 0.00 64.34 61.98 3a13 n VAL 315 Cb 0.41 1.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.78 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 0.91 -0.62 0.00 7.63 0.00 -1.24 -4.56 105.19 107.30 3a13 n GLY 316 Ca 0.00 -2.23 0.00 0.00 0.00 0.00 0.00 46.02 43.79 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 -0.14 0.00 0.00 2.61 -2.24 -1.26 -4.04 114.28 109.21 3a13 n THR 317 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3a13 n THR 317 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 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 320 N -3.00 0.00 -1.99 6.98 0.00 -1.26 -4.73 120.51 116.51 3a13 n ALA 320 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 3a13 n ALA 320 Cb 0.00 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.56 3a13 n ALA 320 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3a13 s GLY 321 N -1.08 1.76 0.00 0.00 0.00 -1.24 -4.18 107.32 102.59 3a13 s GLY 321 Ca 0.00 -1.73 0.29 0.00 0.00 0.00 0.00 44.72 43.28 3a13 s GLY 321 CO 0.00 -1.16 1.93 0.58 0.00 0.00 0.00 173.10 174.45 3a13 n LYS 322 N -2.84 0.57 -5.09 2.90 -0.00 -1.25 -4.68 118.16 107.76 3a13 n LYS 322 Ca 0.15 -0.13 -0.32 0.00 -0.00 0.00 0.00 58.31 58.01 3a13 n LYS 322 Cb 0.61 -1.50 -0.15 0.00 -0.00 0.00 0.00 35.03 33.99 3a13 n LYS 322 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.40 176.92 3a13 s LEU 323 N -2.53 2.41 0.40 -5.58 2.34 -1.26 -4.87 118.68 109.59 3a13 s LEU 323 Ca 0.28 -0.33 -0.07 0.00 0.06 0.00 0.00 54.13 54.07 3a13 s LEU 323 Cb 0.20 -1.45 -0.06 0.00 -0.56 0.00 0.00 46.19 44.32 3a13 s LEU 323 CO 0.48 0.33 -0.35 -1.84 -1.06 0.00 0.00 176.35 173.90 3a13 n GLU 324 N 2.40 0.00 -4.31 1.48 0.28 -1.26 -4.92 120.64 114.30 3a13 n GLU 324 Ca -0.17 0.00 -0.23 0.00 -0.16 0.00 0.00 57.16 56.60 3a13 n GLU 324 Cb 0.52 -0.40 -0.08 0.00 1.43 0.00 0.00 31.44 32.91 3a13 n GLU 324 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 3a13 s GLU 326 N -0.79 2.16 0.13 3.44 2.12 -1.26 -4.98 118.70 119.52 3a13 s GLU 326 Ca 0.16 -1.54 -0.15 0.00 0.36 0.00 0.00 54.97 53.79 3a13 s GLU 326 Cb -0.06 -2.06 -0.01 0.00 0.26 0.00 0.00 34.13 32.26 3a13 s GLU 326 CO 0.32 0.30 1.64 -0.09 -0.54 0.00 0.00 175.26 176.89 3a13 h ARG 327 N 1.91 0.65 -0.00 4.30 2.43 -2.01 -2.81 114.38 118.85 3a13 h ARG 327 Ca -0.43 -0.15 -0.22 0.00 -0.81 0.00 0.00 59.98 58.37 3a13 h ARG 327 Cb 1.25 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.71 3a13 h ARG 327 CO 0.62 0.66 -0.93 0.22 -1.51 0.00 0.00 179.97 179.02 3a13 h ASP 328 N 0.52 0.49 0.06 -3.80 -0.00 -1.98 -1.79 116.42 109.92 3a13 h ASP 328 Ca 0.13 -0.40 0.02 0.00 -0.00 0.00 0.00 57.03 56.79 3a13 h ASP 328 Cb 0.29 -0.15 -0.03 0.00 -0.00 0.00 0.00 39.33 39.44 3a13 h ASP 328 CO -0.00 1.19 -0.22 0.40 -0.00 0.00 0.00 179.24 180.61 3a13 h ILE 329 N 0.21 0.50 -0.50 2.25 5.03 -1.98 0.60 117.51 123.62 3a13 h ILE 329 Ca -0.07 0.00 0.04 0.00 -0.12 0.00 0.00 64.86 64.71 3a13 h ILE 329 Cb 1.56 0.50 -0.04 0.00 -3.03 0.00 0.00 36.82 35.81 3a13 h ILE 329 CO 0.16 0.00 0.27 0.74 -0.68 0.00 0.00 178.15 178.63 3a13 h THR 330 N -0.38 0.98 -0.42 -0.27 2.02 -1.46 0.68 112.91 114.06 3a13 h THR 330 Ca 0.04 -0.18 0.03 0.00 0.77 0.00 0.00 66.41 67.07 3a13 h THR 330 Cb 0.43 0.41 -0.03 0.00 -1.74 0.00 0.00 68.15 67.22 3a13 h THR 330 CO -0.16 0.09 0.22 0.40 0.37 0.00 0.00 175.52 176.44 3a13 h ILE 331 N 0.52 0.99 -0.25 3.11 2.04 -0.96 -1.09 117.51 121.87 3a13 h ILE 331 Ca 0.22 -0.15 -0.08 0.00 1.00 0.00 0.00 64.86 65.85 3a13 h ILE 331 Cb 0.11 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 3a13 h ILE 331 CO -0.14 0.08 -0.18 1.56 0.00 0.00 0.00 178.15 179.47 3a13 h GLN 332 N 0.44 0.45 -0.44 2.37 1.08 -0.17 -0.25 115.11 118.59 3a13 h GLN 332 Ca 0.17 -0.14 0.02 0.00 -1.45 0.00 0.00 58.65 57.26 3a13 h GLN 332 Cb 0.06 -0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.42 3a13 h GLN 332 CO -0.11 0.62 0.25 -0.91 -0.95 0.00 0.00 178.83 177.73 3a13 h ASN 333 N 0.41 0.40 -0.34 1.46 2.35 -0.16 -1.14 115.58 118.56 3a13 h ASN 333 Ca 0.07 0.01 -0.10 0.00 -0.55 0.00 0.00 56.30 55.72 3a13 h ASN 333 Cb 0.55 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.84 3a13 h ASN 333 CO 0.04 0.29 -0.20 0.00 -1.65 0.00 0.00 177.43 175.91 3a13 h ALA 334 N 1.20 0.48 -0.24 -0.83 0.00 -0.88 -2.84 119.26 116.17 3a13 h ALA 334 Ca 0.18 -0.36 0.03 0.00 0.00 0.00 0.00 54.91 54.75 3a13 h ALA 334 Cb 0.03 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3a13 h ALA 334 CO -0.09 0.43 0.07 0.00 0.00 0.00 0.00 179.25 179.66 3a13 h ARG 335 N 0.51 0.17 0.00 0.00 3.08 -0.86 -2.54 114.38 114.75 3a13 h ARG 335 Ca 0.07 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.11 3a13 h ARG 335 Cb 0.74 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.75 3a13 h ARG 335 CO 0.06 0.11 0.00 0.97 -1.07 0.00 0.00 179.97 180.04 3a13 h ILE 336 N 0.17 0.00 0.04 2.04 6.09 -1.19 -2.07 117.51 122.58 3a13 h ILE 336 Ca 0.11 -0.41 -0.22 0.00 -1.37 0.00 0.00 64.86 62.96 3a13 h ILE 336 Cb 0.08 1.34 -0.02 0.00 0.47 0.00 0.00 36.82 38.69 3a13 h ILE 336 CO -0.12 0.00 -1.03 -0.07 -3.07 0.00 0.00 178.15 173.86 3a13 h LEU 337 N 0.00 0.18 0.00 2.19 3.38 -1.21 -3.42 115.31 116.43 3a13 h LEU 337 Ca 0.00 -0.18 -0.25 0.00 0.09 0.00 0.00 57.88 57.55 3a13 h LEU 337 Cb 0.45 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 3a13 h LEU 337 CO 0.00 1.09 -1.93 0.54 0.09 0.00 0.00 178.44 178.23 3a13 n ARG 338 N -3.49 0.70 -2.37 1.13 1.74 -0.94 -1.27 116.66 112.17 3a13 n ARG 338 Ca -0.03 0.08 -0.40 0.00 -0.77 0.00 0.00 57.85 56.72 3a13 n ARG 338 Cb 0.92 -1.33 -0.04 0.00 -1.02 0.00 0.00 32.46 31.00 3a13 n ARG 338 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3a13 s GLU 339 N -2.33 4.55 0.38 5.56 2.02 -0.82 -4.53 118.70 123.53 3a13 s GLU 339 Ca -0.19 1.92 0.23 0.00 0.02 0.00 0.00 54.97 56.94 3a13 s GLU 339 Cb 0.05 -3.16 0.25 0.00 0.10 0.00 0.00 34.13 31.37 3a13 s GLU 339 CO 0.41 0.08 1.47 0.66 0.02 0.00 0.00 175.26 177.90 3a13 h SER 340 N 3.83 0.00 -2.71 -0.19 4.64 -1.91 -3.41 113.55 113.79 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 1.22 0.00 -0.39 0.00 -0.31 0.00 0.00 62.40 62.91 3a13 h SER 340 CO 0.67 0.02 -0.76 -2.28 -0.87 0.00 0.00 176.83 173.61 3a13 s HIS 341 N -3.23 0.22 -0.17 4.77 5.65 -1.26 -0.38 115.29 120.88 3a13 s HIS 341 Ca 0.05 -0.79 -0.19 0.00 0.25 0.00 0.00 55.06 54.39 3a13 s HIS 341 Cb 0.06 -0.84 -0.03 0.00 -1.18 0.00 0.00 32.58 30.58 3a13 s HIS 341 CO 0.70 -0.84 0.53 -0.47 -0.65 0.00 0.00 174.74 174.01 3a13 s TYR 342 N 2.13 3.41 -0.12 3.88 5.04 0.78 -4.96 117.35 127.53 3a13 s TYR 342 Ca 0.09 0.84 0.02 0.00 -2.44 0.00 0.00 57.07 55.57 3a13 s TYR 342 Cb -0.16 -2.66 0.02 0.00 0.35 0.00 0.00 41.96 39.51 3a13 s TYR 342 CO -0.36 -0.04 -0.16 0.15 -1.34 0.00 0.00 175.55 173.80 3a13 s LYS 343 N 1.39 2.34 0.30 4.97 1.02 -1.26 -1.10 119.74 127.40 3a13 s LYS 343 Ca 0.26 -0.60 -0.28 0.00 0.02 0.00 0.00 55.97 55.36 3a13 s LYS 343 Cb -0.15 -2.00 -0.09 0.00 -0.52 0.00 0.00 37.83 35.06 3a13 s LYS 343 CO 0.10 -0.09 1.06 -1.25 -0.92 0.00 0.00 175.35 174.25 3a13 s PRO 344 N 1.05 4.57 0.68 -1.68 0.04 -1.26 -4.99 135.00 133.40 3a13 s PRO 344 Ca -0.05 1.68 -0.17 0.00 0.04 0.00 0.00 61.00 62.51 3a13 s PRO 344 Cb -0.15 -3.05 -0.07 0.00 0.04 0.00 0.00 34.50 31.27 3a13 s PRO 344 CO -0.03 0.18 0.36 -0.25 0.04 0.00 0.00 177.00 177.30 3a13 n ASP 345 N 0.94 -1.80 -0.02 6.66 8.00 -1.26 -4.83 116.55 124.25 3a13 n ASP 345 Ca 0.00 0.60 0.17 0.00 0.71 0.00 0.00 54.79 56.27 3a13 n ASP 345 Cb 0.46 -1.13 0.62 0.00 -0.02 0.00 0.00 41.12 41.05 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 -0.25 0.13 -0.35 -1.24 9.09 -2.02 -1.19 114.58 118.75 3a13 h GLU 346 Ca -0.45 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 58.95 3a13 h GLU 346 Cb 1.37 -0.03 0.00 0.00 -1.65 0.00 0.00 28.75 28.44 3a13 h GLU 346 CO 0.42 0.09 0.00 0.27 0.05 0.00 0.00 179.01 179.84 3a13 n ASN 347 N -4.42 2.31 -4.58 3.06 0.23 -1.26 -4.86 115.26 105.74 3a13 n ASN 347 Ca 0.09 -1.91 -0.43 0.00 -0.53 0.00 0.00 54.58 51.81 3a13 n ASN 347 Cb 0.51 -0.23 -0.04 0.00 -2.08 0.00 0.00 39.78 37.93 3a13 n ASN 347 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3a13 s ASP 348 N -1.24 6.56 0.00 0.53 -1.08 -0.45 -4.90 116.67 116.08 3a13 s ASP 348 Ca 0.32 0.27 0.26 0.00 -0.52 0.00 0.00 52.55 52.88 3a13 s ASP 348 Cb 0.17 -2.46 0.71 0.00 -1.46 0.00 0.00 42.92 39.88 3a13 s ASP 348 CO 0.24 -0.99 1.55 1.33 0.52 0.00 0.00 175.17 177.82 3a13 n VAL 349 N 6.29 0.02 -0.07 1.11 0.24 -1.26 -4.41 118.33 120.24 3a13 n VAL 349 Ca 0.06 -0.36 -0.06 0.00 -2.04 0.00 0.00 64.34 61.95 3a13 n VAL 349 Cb 0.48 0.88 -0.13 0.00 -1.47 0.00 0.00 33.84 33.60 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 0.65 0.00 -4.79 6.34 3.72 -1.26 -4.97 117.46 117.15 3a13 n PHE 350 Ca 0.17 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.28 3a13 n PHE 350 Cb 0.45 -0.74 -0.14 0.00 -0.94 0.00 0.00 39.48 38.11 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 -2.51 2.23 0.21 1.38 3.76 -1.26 -4.23 115.29 114.87 3a13 s HIS 351 Ca -0.08 -0.40 0.07 0.00 -0.15 0.00 0.00 55.06 54.49 3a13 s HIS 351 Cb 0.06 -1.32 -0.04 0.00 1.11 0.00 0.00 32.58 32.39 3a13 s HIS 351 CO 0.67 0.15 0.14 -0.51 -0.85 0.00 0.00 174.74 174.34 3a13 s LEU 352 N -1.35 3.71 0.32 0.89 1.43 -1.26 -4.72 118.68 117.69 3a13 s LEU 352 Ca 0.11 -0.25 -0.29 0.00 -1.03 0.00 0.00 54.13 52.67 3a13 s LEU 352 Cb -0.10 -2.28 -0.12 0.00 0.03 0.00 0.00 46.19 43.72 3a13 s LEU 352 CO 0.03 0.02 1.44 1.21 0.23 0.00 0.00 176.35 179.28 3a13 n GLU 353 N -0.75 2.40 -3.67 1.70 2.13 -1.26 -4.66 120.64 116.54 3a13 n GLU 353 Ca -0.08 0.85 -0.09 0.00 0.66 0.00 0.00 57.16 58.49 3a13 n GLU 353 Cb 0.57 -2.53 -0.10 0.00 0.27 0.00 0.00 31.44 29.64 3a13 n GLU 353 CO 0.00 0.00 0.00 -1.14 -0.41 0.00 0.00 177.13 175.58 3a13 s GLN 354 N -1.31 0.31 0.02 5.31 2.00 -0.26 -4.97 119.66 120.76 3a13 s GLN 354 Ca 0.59 0.95 -0.09 0.00 -2.00 0.00 0.00 55.36 54.81 3a13 s GLN 354 Cb -0.54 0.22 -0.05 0.00 0.80 0.00 0.00 33.01 33.44 3a13 s GLN 354 CO 0.57 -0.24 0.32 0.15 -0.50 0.00 0.00 175.29 175.59 3a13 s LYS 355 N 2.37 3.69 0.00 1.67 1.02 -1.26 -0.15 119.74 127.07 3a13 s LYS 355 Ca -0.03 0.09 0.07 0.00 0.02 0.00 0.00 55.97 56.13 3a13 s LYS 355 Cb -0.11 -3.09 -0.01 0.00 -0.52 0.00 0.00 37.83 34.10 3a13 s LYS 355 CO -0.12 0.64 0.51 1.19 -0.92 0.00 0.00 175.35 176.65 3a13 n PHE 356 N 1.27 0.00 0.00 3.18 3.72 0.49 -4.93 117.46 121.19 3a13 n PHE 356 Ca -0.12 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.28 3a13 n PHE 356 Cb 0.53 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.07 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 -0.36 0.00 1.21 1.38 4.01 -1.25 -1.11 117.16 121.04 3a13 n TYR 357 Ca 0.03 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.89 3a13 n TYR 357 Cb 0.14 0.00 0.34 0.00 -0.31 0.00 0.00 39.34 39.51 3a13 n TYR 357 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 3a13 n SER 358 N 8.13 1.05 -4.61 7.72 3.41 -1.26 -4.87 113.62 123.19 3a13 n SER 358 Ca 0.00 -0.89 -0.43 0.00 -0.26 0.00 0.00 58.87 57.29 3a13 n SER 358 Cb 0.00 0.17 -0.03 0.00 -0.26 0.00 0.00 64.21 64.09 3a13 n SER 358 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 3a13 n ILE 359 N -0.68 0.48 -0.66 -1.33 2.08 -0.26 -4.95 119.36 114.04 3a13 n ILE 359 Ca 0.11 -0.34 -0.29 0.00 0.56 0.00 0.00 62.75 62.79 3a13 n ILE 359 Cb 0.35 -2.43 0.22 0.00 -0.75 0.00 0.00 39.64 37.03 3a13 n ILE 359 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 3a13 s LYS 360 N 5.70 -0.32 0.23 0.38 1.02 -1.26 -4.94 119.74 120.56 3a13 s LYS 360 Ca 0.97 0.96 -0.23 0.00 0.02 0.00 0.00 55.97 57.69 3a13 s LYS 360 Cb -0.40 -1.61 -0.09 0.00 -0.52 0.00 0.00 37.83 35.21 3a13 s LYS 360 CO 0.38 -3.36 0.80 0.00 -0.92 0.00 0.00 175.35 172.26 3a13 s ALA 361 N -2.56 3.37 0.08 5.17 0.00 -1.26 -4.53 121.76 122.02 3a13 s ALA 361 Ca 0.68 0.32 -0.00 0.00 0.00 0.00 0.00 51.96 52.95 3a13 s ALA 361 Cb -0.24 -2.96 -0.04 0.00 0.00 0.00 0.00 23.12 19.88 3a13 s ALA 361 CO 0.62 0.28 0.24 0.00 0.00 0.00 0.00 175.76 176.90 3a13 s ALA 362 N -1.44 3.98 -0.49 0.00 0.00 -0.39 -0.90 121.76 122.51 3a13 s ALA 362 Ca 0.43 -0.83 -0.29 0.00 0.00 0.00 0.00 51.96 51.28 3a13 s ALA 362 Cb -0.19 -1.86 0.02 0.00 0.00 0.00 0.00 23.12 21.09 3a13 s ALA 362 CO 0.23 0.77 1.24 -0.06 0.00 0.00 0.00 175.76 177.95 3a13 s PHE 363 N -1.56 2.62 0.25 0.00 0.08 0.15 -4.36 117.98 115.16 3a13 s PHE 363 Ca 0.36 0.62 -0.31 0.00 0.12 0.00 0.00 56.93 57.72 3a13 s PHE 363 Cb -0.13 -4.42 -0.11 0.00 -0.57 0.00 0.00 43.02 37.79 3a13 s PHE 363 CO 0.28 -1.58 1.60 -2.14 -0.10 0.00 0.00 175.22 173.27 3a13 s PRO 364 N 4.79 4.16 -0.16 0.24 0.02 -1.26 -1.31 135.00 141.47 3a13 s PRO 364 Ca 0.51 2.52 -0.02 0.00 0.02 0.00 0.00 61.00 64.03 3a13 s PRO 364 Cb -0.09 -3.06 -0.01 0.00 0.02 0.00 0.00 34.50 31.35 3a13 s PRO 364 CO 0.30 -0.62 -0.09 0.99 -0.33 0.00 0.00 177.00 177.24 3a13 s THR 365 N 0.41 3.27 -0.20 0.99 2.01 0.27 -0.96 115.64 121.41 3a13 s THR 365 Ca 0.66 -0.57 -0.02 0.00 0.31 0.00 0.00 61.69 62.08 3a13 s THR 365 Cb -0.47 -2.41 0.01 0.00 0.01 0.00 0.00 72.50 69.63 3a13 s THR 365 CO 0.41 0.49 -0.11 -0.55 -0.69 0.00 0.00 174.62 174.18 3a13 s SER 366 N 0.64 3.79 -0.10 3.53 0.15 -0.33 -0.74 113.70 120.64 3a13 s SER 366 Ca -0.05 -0.52 -0.07 0.00 0.70 0.00 0.00 55.95 56.01 3a13 s SER 366 Cb -0.15 -1.62 0.04 0.00 -1.71 0.00 0.00 66.02 62.57 3a13 s SER 366 CO 0.03 -0.02 0.25 -0.55 1.20 0.00 0.00 173.24 174.15 3a13 s SER 367 N 1.39 -0.26 0.00 5.45 0.15 -1.26 -2.23 113.70 116.95 3a13 s SER 367 Ca 0.05 0.51 0.00 0.00 0.70 0.00 0.00 55.95 57.21 3a13 s SER 367 Cb -0.14 0.45 0.00 0.00 -1.71 0.00 0.00 66.02 64.62 3a13 s SER 367 CO -0.08 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 174.84 3a13 n GLY 368 N 3.71 2.53 2.45 9.45 0.00 -1.26 -4.61 105.19 117.46 3a13 n GLY 368 Ca -0.20 -0.40 -0.08 0.00 0.00 0.00 0.00 46.02 45.34 3a13 n GLY 368 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a13 n GLY 369 N 0.00 0.93 3.81 -0.02 0.00 -1.26 -3.62 105.19 105.03 3a13 n GLY 369 Ca 0.00 -0.28 -0.33 0.00 0.00 0.00 0.00 46.02 45.41 3a13 n GLY 369 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a13 s LEU 370 N -1.82 3.87 0.28 0.99 1.02 -1.26 -4.74 118.68 117.02 3a13 s LEU 370 Ca 0.00 1.75 -0.15 0.00 0.02 0.00 0.00 54.13 55.76 3a13 s LEU 370 Cb 0.00 -4.54 0.01 0.00 0.02 0.00 0.00 46.19 41.68 3a13 s LEU 370 CO 0.00 -0.53 0.58 -1.38 0.02 0.00 0.00 176.35 175.03 3a13 s HIS 371 N -2.17 0.24 0.56 0.29 -3.43 -1.26 -3.46 115.29 106.05 3a13 s HIS 371 Ca 0.63 -0.65 0.29 0.00 -0.80 0.00 0.00 55.06 54.53 3a13 s HIS 371 Cb -0.11 0.38 1.46 0.00 -1.43 0.00 0.00 32.58 32.87 3a13 s HIS 371 CO 0.18 -1.13 1.93 -1.35 -2.00 0.00 0.00 174.74 172.37 3a13 h PRO 372 N 2.15 0.00 -0.12 -0.38 0.11 -1.93 -2.41 132.00 129.41 3a13 h PRO 372 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 3a13 h PRO 372 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3a13 h PRO 372 CO 0.33 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.53 3a13 n GLY 373 N -1.61 0.63 0.37 -0.55 0.00 -1.26 -4.13 105.19 98.65 3a13 n GLY 373 Ca 0.12 -0.56 0.01 0.00 0.00 0.00 0.00 46.02 45.59 3a13 n GLY 373 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3a13 n ASN 374 N 0.76 0.37 0.11 1.61 6.94 -0.91 -4.77 115.26 119.37 3a13 n ASN 374 Ca 0.17 -2.04 0.12 0.00 -0.02 0.00 0.00 54.58 52.80 3a13 n ASN 374 Cb 0.46 -0.21 0.07 0.00 -2.36 0.00 0.00 39.78 37.75 3a13 n ASN 374 CO 0.00 0.00 0.00 0.16 -1.03 0.00 0.00 177.26 176.39 3a13 h ILE 375 N 5.42 0.00 -0.60 1.53 3.07 -1.71 -3.35 117.51 121.87 3a13 h ILE 375 Ca 0.00 -0.85 -0.09 0.00 1.55 0.00 0.00 64.86 65.47 3a13 h ILE 375 Cb 1.28 1.44 -0.02 0.00 -0.27 0.00 0.00 36.82 39.25 3a13 h ILE 375 CO 0.00 0.00 0.03 -0.61 -1.05 0.00 0.00 178.15 176.52 3a13 h GLN 376 N 0.00 1.04 0.16 0.16 4.15 -1.86 -0.27 115.11 118.49 3a13 h GLN 376 Ca 0.00 -0.32 0.01 0.00 0.77 0.00 0.00 58.65 59.12 3a13 h GLN 376 Cb 0.92 -0.10 -0.05 0.00 0.21 0.00 0.00 27.48 28.47 3a13 h GLN 376 CO 0.00 1.01 -0.51 -1.35 -1.93 0.00 0.00 178.83 176.04 3a13 h PRO 377 N 0.94 -0.74 -0.42 -2.39 0.11 -1.93 0.43 132.00 127.99 3a13 h PRO 377 Ca 0.17 0.05 0.09 0.00 0.11 0.00 0.00 66.00 66.42 3a13 h PRO 377 Cb 0.52 0.17 -0.08 0.00 0.11 0.00 0.00 31.00 31.71 3a13 h PRO 377 CO 0.02 -0.49 -0.14 -0.39 -0.21 0.00 0.00 178.00 176.79 3a13 h VAL 378 N -0.77 0.52 -0.23 3.15 -1.51 -1.69 0.75 116.25 116.47 3a13 h VAL 378 Ca -0.01 0.00 0.01 0.00 -1.23 0.00 0.00 66.70 65.48 3a13 h VAL 378 Cb 0.76 0.52 -0.01 0.00 -2.13 0.00 0.00 31.29 30.43 3a13 h VAL 378 CO -0.26 0.00 0.15 0.40 -1.23 0.00 0.00 177.57 176.63 3a13 h ILE 379 N -0.04 1.03 0.17 7.19 2.04 -0.53 1.07 117.51 128.43 3a13 h ILE 379 Ca 0.20 -0.09 -0.32 0.00 1.00 0.00 0.00 64.86 65.66 3a13 h ILE 379 Cb 0.35 0.75 0.01 0.00 -0.74 0.00 0.00 36.82 37.19 3a13 h ILE 379 CO -0.45 0.05 -1.51 -0.33 0.00 0.00 0.00 178.15 175.91 3a13 h GLU 380 N 0.26 0.36 -0.32 2.37 5.08 0.16 0.82 114.58 123.31 3a13 h GLU 380 Ca 0.09 -0.61 -0.04 0.00 -1.00 0.00 0.00 59.36 57.80 3a13 h GLU 380 Cb 0.05 0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 3a13 h GLU 380 CO -0.02 1.26 0.03 0.00 -1.00 0.00 0.00 179.01 179.28 3a13 h ALA 381 N 0.35 0.42 0.00 3.43 0.00 0.13 -3.37 119.26 120.23 3a13 h ALA 381 Ca -0.25 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 3a13 h ALA 381 Cb 2.06 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.73 3a13 h ALA 381 CO 0.20 0.14 -1.72 1.28 0.00 0.00 0.00 179.25 179.16 3a13 n LEU 382 N -4.59 0.00 0.00 0.00 4.77 0.36 -4.95 117.00 112.60 3a13 n LEU 382 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 3a13 n LEU 382 Cb 0.24 0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 3a13 n LEU 382 CO 0.38 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 3a13 n GLY 383 N 1.65 -2.11 0.30 -0.72 0.00 0.28 -4.66 105.19 99.94 3a13 n GLY 383 Ca -0.04 -1.99 0.10 0.00 0.00 0.00 0.00 46.02 44.09 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 -0.02 0.00 -1.85 2.61 -2.24 -1.26 -4.44 114.28 107.09 3a13 n THR 384 Ca 0.00 -0.17 -0.40 0.00 -2.27 0.00 0.00 64.05 61.21 3a13 n THR 384 Cb 0.00 1.15 -0.01 0.00 -2.10 0.00 0.00 70.33 69.37 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 -0.59 8.18 -4.22 3.42 8.00 -1.26 -3.07 116.55 127.01 3a13 n ASP 385 Ca 0.07 -3.02 -0.13 0.00 0.71 0.00 0.00 54.79 52.42 3a13 n ASP 385 Cb 0.40 -1.41 -0.10 0.00 -0.02 0.00 0.00 41.12 39.99 3a13 n ASP 385 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3a13 s ILE 386 N -0.42 0.76 -0.17 0.53 -4.36 -1.26 -4.32 121.20 111.97 3a13 s ILE 386 Ca 0.57 -1.98 -0.07 0.00 -0.26 0.00 0.00 60.65 58.91 3a13 s ILE 386 Cb 0.18 -1.96 -0.04 0.00 1.25 0.00 0.00 42.46 41.89 3a13 s ILE 386 CO -0.09 -0.62 0.09 -0.69 0.24 0.00 0.00 174.94 173.86 3a13 s VAL 387 N -3.59 5.02 -0.08 8.37 1.01 -0.14 -1.87 120.40 129.12 3a13 s VAL 387 Ca 0.20 0.04 -0.02 0.00 0.00 0.00 0.00 61.98 62.20 3a13 s VAL 387 Cb 0.05 -3.24 -0.03 0.00 0.00 0.00 0.00 36.38 33.16 3a13 s VAL 387 CO 0.01 0.50 0.01 -0.76 0.00 0.00 0.00 175.10 174.85 3a13 s LEU 388 N 0.01 3.59 -0.12 3.92 1.43 0.19 -1.19 118.68 126.52 3a13 s LEU 388 Ca 0.07 0.13 0.02 0.00 -1.03 0.00 0.00 54.13 53.33 3a13 s LEU 388 Cb -0.12 -1.85 0.01 0.00 0.03 0.00 0.00 46.19 44.26 3a13 s LEU 388 CO 0.00 0.37 -0.18 -1.58 0.23 0.00 0.00 176.35 175.19 3a13 s GLN 389 N -0.98 2.54 -0.32 1.70 -0.44 -0.95 -1.92 119.66 119.31 3a13 s GLN 389 Ca 0.14 -0.68 -0.00 0.00 -2.50 0.00 0.00 55.36 52.32 3a13 s GLN 389 Cb -0.11 -2.10 0.10 0.00 -1.64 0.00 0.00 33.01 29.26 3a13 s GLN 389 CO 0.03 -0.03 0.09 -0.51 0.50 0.00 0.00 175.29 175.37 3a13 s LEU 390 N 0.89 2.62 0.00 3.68 1.02 -0.90 -4.26 118.68 121.73 3a13 s LEU 390 Ca -0.07 -1.72 0.00 0.00 0.02 0.00 0.00 54.13 52.35 3a13 s LEU 390 Cb -0.15 -0.98 0.00 0.00 0.02 0.00 0.00 46.19 45.08 3a13 s LEU 390 CO -0.01 -0.41 0.00 0.61 0.02 0.00 0.00 176.35 176.56 3a13 n GLY 391 N 4.75 1.05 0.23 -3.19 0.00 -1.26 -3.50 105.19 103.28 3a13 n GLY 391 Ca -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 0.54 1.18 -0.02 0.00 -1.88 0.52 103.07 103.40 3a13 h GLY 392 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.48 3a13 h GLY 392 CO 0.00 -0.22 0.18 0.61 0.00 0.00 0.00 176.54 177.11 3a13 n GLY 393 N -1.39 -0.29 0.71 4.60 0.00 -1.22 -1.26 105.19 106.34 3a13 n GLY 393 Ca 0.08 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.27 0.59 0.54 2.61 -1.04 0.16 -4.50 114.28 111.36 3a13 n THR 394 Ca 0.00 -0.09 0.11 0.00 -2.04 0.00 0.00 64.05 62.03 3a13 n THR 394 Cb 0.18 -1.65 0.45 0.00 -1.82 0.00 0.00 70.33 67.49 3a13 n THR 394 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3a13 n LEU 395 N -3.46 0.48 -1.19 -4.42 4.32 0.11 -3.11 117.00 109.73 3a13 n LEU 395 Ca -0.17 0.59 0.08 0.00 -0.02 0.00 0.00 56.01 56.49 3a13 n LEU 395 Cb 0.59 -0.50 0.29 0.00 -1.62 0.00 0.00 43.42 42.19 3a13 n LEU 395 CO 0.02 -0.35 0.75 0.61 -1.22 0.00 0.00 177.39 177.20 3a13 n GLY 396 N 0.45 3.34 3.74 -0.72 0.00 -0.39 -4.16 105.19 107.45 3a13 n GLY 396 Ca 0.04 -0.87 -0.42 0.00 0.00 0.00 0.00 46.02 44.78 3a13 n GLY 396 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3a13 s HIS 397 N -2.28 2.99 0.18 1.61 5.04 -1.18 -4.90 115.29 116.74 3a13 s HIS 397 Ca 0.43 0.91 -0.22 0.00 -1.54 0.00 0.00 55.06 54.65 3a13 s HIS 397 Cb 0.32 -3.88 0.10 0.00 0.04 0.00 0.00 32.58 29.16 3a13 s HIS 397 CO 0.15 -2.96 1.59 -1.35 -2.34 0.00 0.00 174.74 169.83 3a13 h PRO 398 N 5.35 -0.18 0.00 2.88 0.11 -1.93 0.76 132.00 138.98 3a13 h PRO 398 Ca -0.45 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3a13 h PRO 398 Cb 1.22 0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3a13 h PRO 398 CO 0.81 -0.12 0.00 -0.25 -0.21 0.00 0.00 178.00 178.22 3a13 n ASP 399 N -5.43 0.00 0.00 -2.05 8.00 -1.26 -4.96 116.55 110.85 3a13 n ASP 399 Ca 0.03 -0.60 0.00 0.00 0.71 0.00 0.00 54.79 54.93 3a13 n ASP 399 Cb 0.35 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.45 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 -0.10 1.65 0.22 0.44 0.00 0.26 -4.64 105.19 103.02 3a13 n GLY 400 Ca 0.07 -2.03 -0.03 0.00 0.00 0.00 0.00 46.02 44.02 3a13 n GLY 400 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3a13 h PRO 401 N 0.00 -0.02 -0.70 1.61 0.11 -1.77 -2.16 132.00 129.07 3a13 h PRO 401 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3a13 h PRO 401 Cb 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.08 3a13 h PRO 401 CO 0.00 -0.01 0.44 0.00 -0.21 0.00 0.00 178.00 178.22 3a13 h ALA 402 N 1.47 0.89 0.00 -0.75 0.00 -1.87 -1.43 119.26 117.57 3a13 h ALA 402 Ca 0.25 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 3a13 h ALA 402 Cb 0.40 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3a13 h ALA 402 CO -0.55 0.34 -0.31 0.00 0.00 0.00 0.00 179.25 178.73 3a13 h ALA 403 N 1.24 1.41 -0.00 0.00 0.00 -1.70 -2.64 119.26 117.56 3a13 h ALA 403 Ca 0.25 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.89 3a13 h ALA 403 Cb -0.06 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3a13 h ALA 403 CO -0.05 0.39 -0.07 0.78 0.00 0.00 0.00 179.25 180.29 3a13 h GLY 404 N 1.03 -0.08 0.52 0.00 0.00 -0.65 0.15 103.07 104.05 3a13 h GLY 404 Ca -0.00 0.09 0.03 0.00 0.00 0.00 0.00 47.33 47.44 3a13 h GLY 404 CO 0.04 -0.08 -0.20 0.00 0.00 0.00 0.00 176.54 176.30 3a13 h ALA 405 N 0.87 -0.24 -0.68 3.60 0.00 -1.20 -0.54 119.26 121.06 3a13 h ALA 405 Ca 0.03 0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.06 3a13 h ALA 405 Cb 0.16 0.35 -0.08 0.00 0.00 0.00 0.00 17.79 18.22 3a13 h ALA 405 CO -0.08 -0.69 0.26 0.00 0.00 0.00 0.00 179.25 178.74 3a13 h ARG 406 N -0.32 0.41 -0.22 0.00 3.08 -1.11 0.11 114.38 116.33 3a13 h ARG 406 Ca 0.06 -0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.14 3a13 h ARG 406 Cb 0.39 -0.09 -0.06 0.00 0.08 0.00 0.00 29.97 30.29 3a13 h ARG 406 CO -0.19 0.27 -0.14 0.00 -1.07 0.00 0.00 179.97 178.85 3a13 h ALA 407 N 1.48 0.03 -0.72 0.04 0.00 0.05 -2.09 119.26 118.06 3a13 h ALA 407 Ca 0.36 0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.29 3a13 h ALA 407 Cb 0.49 0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 3a13 h ALA 407 CO -0.35 -0.56 0.23 0.28 0.00 0.00 0.00 179.25 178.85 3a13 h VAL 408 N -0.13 1.26 0.00 0.00 2.07 0.30 -1.41 116.25 118.34 3a13 h VAL 408 Ca 0.13 -0.88 -0.09 0.00 0.82 0.00 0.00 66.70 66.68 3a13 h VAL 408 Cb 0.32 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 3a13 h VAL 408 CO -0.30 0.35 -0.41 0.03 0.02 0.00 0.00 177.57 177.25 3a13 h ARG 409 N 1.06 0.00 0.14 1.57 2.47 -0.76 -2.44 114.38 116.43 3a13 h ARG 409 Ca 0.23 0.00 -0.30 0.00 -1.26 0.00 0.00 59.98 58.66 3a13 h ARG 409 Cb 0.29 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.62 3a13 h ARG 409 CO -0.01 0.41 -1.39 -0.56 0.56 0.00 0.00 179.97 178.98 3a13 h GLN 410 N 0.00 0.30 -0.68 0.04 3.07 -1.09 -1.65 115.11 115.11 3a13 h GLN 410 Ca -0.00 -0.52 0.12 0.00 0.09 0.00 0.00 58.65 58.34 3a13 h GLN 410 Cb 0.74 0.19 -0.08 0.00 0.08 0.00 0.00 27.48 28.41 3a13 h GLN 410 CO 0.05 1.21 0.25 0.00 0.09 0.00 0.00 178.83 180.44 3a13 h ALA 411 N 0.48 0.90 -0.22 0.06 0.00 -1.15 0.25 119.26 119.59 3a13 h ALA 411 Ca -0.19 0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.68 3a13 h ALA 411 Cb 2.02 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.89 3a13 h ALA 411 CO 0.20 -0.21 -0.41 0.82 0.00 0.00 0.00 179.25 179.65 3a13 h ILE 412 N 0.41 1.32 -0.76 0.00 2.04 -1.47 -2.19 117.51 116.86 3a13 h ILE 412 Ca 0.36 -1.63 0.14 0.00 1.00 0.00 0.00 64.86 64.73 3a13 h ILE 412 Cb 0.50 1.80 -0.09 0.00 -0.74 0.00 0.00 36.82 38.29 3a13 h ILE 412 CO -0.36 0.51 0.33 0.44 0.00 0.00 0.00 178.15 179.07 3a13 h ASP 413 N 0.37 0.34 0.02 1.72 3.32 -0.75 -0.01 116.42 121.43 3a13 h ASP 413 Ca 0.01 0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3a13 h ASP 413 Cb 1.01 0.06 -0.00 0.00 0.22 0.00 0.00 39.33 40.62 3a13 h ASP 413 CO 0.09 0.14 -0.03 0.00 -1.72 0.00 0.00 179.24 177.72 3a13 h ALA 414 N 1.54 -0.04 -0.20 3.45 0.00 -0.29 -2.38 119.26 121.34 3a13 h ALA 414 Ca 0.42 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.23 3a13 h ALA 414 Cb 0.61 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3a13 h ALA 414 CO -0.38 -0.53 -0.29 0.82 0.00 0.00 0.00 179.25 178.87 3a13 h ILE 415 N -0.06 1.27 0.00 0.00 2.04 -0.74 0.41 117.51 120.43 3a13 h ILE 415 Ca 0.01 -1.31 -0.08 0.00 1.00 0.00 0.00 64.86 64.48 3a13 h ILE 415 Cb 0.06 1.44 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 3a13 h ILE 415 CO -0.02 0.41 -0.36 0.24 0.00 0.00 0.00 178.15 178.42 3a13 h MET 416 N 0.35 0.00 -0.08 2.37 2.86 -0.88 -2.60 114.93 116.94 3a13 h MET 416 Ca 0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 3a13 h MET 416 Cb 0.69 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.35 3a13 h MET 416 CO 0.05 0.36 0.00 1.04 1.06 0.00 0.00 176.91 179.43 3a13 n GLN 417 N -4.10 1.75 -1.79 1.72 6.02 -0.87 -4.93 117.38 115.18 3a13 n GLN 417 Ca -0.02 -1.11 -0.10 0.00 -0.01 0.00 0.00 57.00 55.76 3a13 n GLN 417 Cb 0.40 -1.45 -0.02 0.00 1.02 0.00 0.00 30.24 30.19 3a13 n GLN 417 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3a13 n GLY 418 N 1.18 0.48 3.38 1.08 0.00 -0.83 -5.01 105.19 105.48 3a13 n GLY 418 Ca 0.18 -0.52 -0.40 0.00 0.00 0.00 0.00 46.02 45.28 3a13 n GLY 418 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a13 s ILE 419 N -2.44 4.49 0.31 -0.61 1.01 0.07 -5.01 121.20 119.02 3a13 s ILE 419 Ca 0.00 -0.79 -0.26 0.00 0.00 0.00 0.00 60.65 59.61 3a13 s ILE 419 Cb 0.00 -3.46 -0.15 0.00 0.01 0.00 0.00 42.46 38.86 3a13 s ILE 419 CO 0.00 -0.16 0.61 -2.65 0.00 0.00 0.00 174.94 172.74 3a13 n PRO 420 N 4.97 0.51 0.08 2.79 -0.02 -1.26 -4.26 135.00 137.82 3a13 n PRO 420 Ca -0.12 0.18 -0.13 0.00 -2.02 0.00 0.00 63.50 61.41 3a13 n PRO 420 Cb 0.47 -1.36 -0.07 0.00 -0.02 0.00 0.00 33.50 32.51 3a13 n PRO 420 CO 0.00 0.00 0.00 1.37 1.98 0.00 0.00 175.50 178.85 3a13 h LEU 421 N 1.12 -0.10 -0.76 2.45 -0.00 -1.95 -2.85 115.31 113.23 3a13 h LEU 421 Ca -0.35 0.00 0.05 0.00 -0.00 0.00 0.00 57.88 57.58 3a13 h LEU 421 Cb 1.40 0.03 -0.05 0.00 -0.00 0.00 0.00 40.66 42.04 3a13 h LEU 421 CO 0.55 -0.07 0.46 0.44 -0.00 0.00 0.00 178.44 179.82 3a13 h ASP 422 N -0.12 0.72 0.22 0.17 3.32 -1.98 0.72 116.42 119.47 3a13 h ASP 422 Ca -0.01 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 3a13 h ASP 422 Cb 0.09 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 3a13 h ASP 422 CO 0.02 0.47 -0.16 -0.33 -1.72 0.00 0.00 179.24 177.52 3a13 h GLU 423 N 0.85 -0.36 -0.71 3.56 4.39 -1.93 -2.42 114.58 117.96 3a13 h GLU 423 Ca 0.32 0.02 0.07 0.00 0.34 0.00 0.00 59.36 60.12 3a13 h GLU 423 Cb 0.13 0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 28.82 3a13 h GLU 423 CO -0.16 -0.24 0.47 -0.92 -1.16 0.00 0.00 179.01 177.00 3a13 h TYR 424 N -0.38 0.72 -0.53 4.33 5.03 -1.07 0.30 116.97 125.37 3a13 h TYR 424 Ca -0.02 0.02 0.08 0.00 2.58 0.00 0.00 58.73 61.39 3a13 h TYR 424 Cb 0.33 -0.24 -0.03 0.00 1.55 0.00 0.00 36.73 38.34 3a13 h TYR 424 CO -0.10 0.37 0.36 0.00 -1.32 0.00 0.00 178.16 177.47 3a13 h ALA 425 N 1.62 2.00 0.00 1.82 0.00 0.85 -0.75 119.26 124.80 3a13 h ALA 425 Ca 0.31 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3a13 h ALA 425 Cb 0.31 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3a13 h ALA 425 CO -0.10 -0.11 0.00 1.57 0.00 0.00 0.00 179.25 180.61 3a13 h LYS 426 N 0.38 0.00 -0.01 0.00 -0.00 -0.46 -1.59 116.57 114.89 3a13 h LYS 426 Ca 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.89 3a13 h LYS 426 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.68 3a13 h LYS 426 CO -0.06 0.00 -0.17 0.25 -0.00 0.00 0.00 179.45 179.47 3a13 n THR 427 N -3.01 0.00 -3.64 0.07 -2.24 -0.34 -4.95 114.28 100.16 3a13 n THR 427 Ca -0.02 -0.41 -0.28 0.00 -2.27 0.00 0.00 64.05 61.07 3a13 n THR 427 Cb 0.11 1.10 -0.16 0.00 -2.10 0.00 0.00 70.33 69.28 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 -1.21 0.64 0.07 4.78 4.02 -0.60 -5.06 115.29 117.93 3a13 s HIS 428 Ca 0.07 -0.78 -0.37 0.00 1.02 0.00 0.00 55.06 55.01 3a13 s HIS 428 Cb 0.07 -0.96 -0.19 0.00 -1.02 0.00 0.00 32.58 30.48 3a13 s HIS 428 CO 0.21 -0.66 1.58 1.57 1.02 0.00 0.00 174.74 178.45 3a13 h LYS 429 N 8.33 -1.15 -1.00 1.40 5.09 -1.91 -1.26 116.57 126.06 3a13 h LYS 429 Ca -0.16 0.08 0.04 0.00 0.09 0.00 0.00 60.65 60.70 3a13 h LYS 429 Cb 1.09 0.26 -0.06 0.00 0.10 0.00 0.00 32.23 33.62 3a13 h LYS 429 CO 0.36 -0.77 0.65 0.93 -2.09 0.00 0.00 179.45 178.54 3a13 h GLU 430 N -1.20 1.21 -0.67 0.07 3.07 -1.94 0.72 114.58 115.85 3a13 h GLU 430 Ca -0.11 -0.07 -0.06 0.00 -0.50 0.00 0.00 59.36 58.62 3a13 h GLU 430 Cb 0.95 -0.27 -0.03 0.00 -0.84 0.00 0.00 28.75 28.56 3a13 h GLU 430 CO 0.13 0.80 0.18 -0.07 -1.40 0.00 0.00 179.01 178.65 3a13 h LEU 431 N 1.25 0.98 -0.16 1.33 3.38 -1.79 -0.62 115.31 119.68 3a13 h LEU 431 Ca 0.40 -0.19 -0.09 0.00 0.09 0.00 0.00 57.88 58.09 3a13 h LEU 431 Cb 0.03 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 3a13 h LEU 431 CO -0.13 0.93 -0.27 0.00 0.09 0.00 0.00 178.44 179.07 3a13 h ALA 432 N 1.19 0.25 -0.02 1.53 0.00 0.18 0.16 119.26 122.56 3a13 h ALA 432 Ca 0.22 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3a13 h ALA 432 Cb 0.32 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 3a13 h ALA 432 CO -0.00 0.24 0.02 0.00 0.00 0.00 0.00 179.25 179.50 3a13 h ARG 433 N 0.09 0.00 0.01 0.00 3.08 0.46 -1.85 114.38 116.17 3a13 h ARG 433 Ca 0.01 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 3a13 h ARG 433 Cb 0.85 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.90 3a13 h ARG 433 CO 0.06 0.00 -0.01 0.00 -1.07 0.00 0.00 179.97 178.95 3a13 h ALA 434 N 1.98 -0.02 -0.98 0.04 0.00 -0.68 -3.20 119.26 116.41 3a13 h ALA 434 Ca 0.01 -0.38 0.14 0.00 0.00 0.00 0.00 54.91 54.67 3a13 h ALA 434 Cb 0.04 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.75 3a13 h ALA 434 CO -0.00 -0.05 0.62 -0.07 0.00 0.00 0.00 179.25 179.75 3a13 h LEU 435 N -0.94 0.84 -0.76 0.00 3.38 -0.75 -2.35 115.31 114.73 3a13 h LEU 435 Ca -0.00 0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 3a13 h LEU 435 Cb 0.77 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.38 3a13 h LEU 435 CO 0.00 0.42 0.32 1.05 0.09 0.00 0.00 178.44 180.32 3a13 h GLU 436 N 0.88 1.13 0.19 1.13 4.11 -1.41 -3.29 114.58 117.31 3a13 h GLU 436 Ca 0.50 -0.20 -0.01 0.00 0.07 0.00 0.00 59.36 59.72 3a13 h GLU 436 Cb 0.62 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.68 3a13 h GLU 436 CO -0.27 0.91 -0.09 -0.22 0.07 0.00 0.00 179.01 179.41 3a13 h LYS 437 N 1.09 -0.24 -0.28 1.06 3.64 -1.42 -3.41 116.57 117.01 3a13 h LYS 437 Ca 0.26 0.02 -0.16 0.00 -1.27 0.00 0.00 60.65 59.49 3a13 h LYS 437 Cb 0.19 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 3a13 h LYS 437 CO -0.02 -0.16 -0.46 -1.49 -2.27 0.00 0.00 179.45 175.04 3a13 h TRP 438 N -0.51 0.91 -0.50 1.91 6.55 -1.62 -3.49 115.95 119.20 3a13 h TRP 438 Ca -0.03 -0.30 0.00 0.00 0.95 0.00 0.00 58.89 59.52 3a13 h TRP 438 Cb 0.19 -0.18 0.00 0.00 -0.86 0.00 0.00 29.16 28.31 3a13 h TRP 438 CO 0.05 1.07 0.00 0.41 -1.05 0.00 0.00 178.44 178.92 3a13 n GLY 439 N 0.18 -0.63 0.06 1.49 0.00 -1.24 -4.44 105.19 100.61 3a13 n GLY 439 Ca -0.03 -1.13 0.04 0.00 0.00 0.00 0.00 46.02 44.91 3a13 n GLY 439 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3a13 n HIS 440 N -0.14 0.00 -3.04 1.61 -0.00 -1.26 -4.77 115.22 107.62 3a13 n HIS 440 Ca 0.00 -0.63 -0.40 0.00 -0.00 0.00 0.00 57.72 56.69 3a13 n HIS 440 Cb 0.00 -0.09 -0.05 0.00 -0.00 0.00 0.00 29.99 29.85 3a13 n HIS 440 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.34 176.48 3a13 s VAL 441 N -1.62 4.71 0.12 1.59 -7.23 -1.26 -4.96 120.40 111.75 3a13 s VAL 441 Ca 0.13 1.55 -0.31 0.00 -1.81 0.00 0.00 61.98 61.54 3a13 s VAL 441 Cb 0.11 -4.07 -0.07 0.00 0.56 0.00 0.00 36.38 32.91 3a13 s VAL 441 CO 0.01 0.41 1.29 0.28 -0.31 0.00 0.00 175.10 176.78 3a13 s THR 442 N -0.30 3.54 -1.09 5.32 -1.32 -1.26 -4.93 115.64 115.60 3a13 s THR 442 Ca 0.36 1.15 -0.22 0.00 -1.21 0.00 0.00 61.69 61.77 3a13 s THR 442 Cb -0.20 -3.74 -0.09 0.00 -1.51 0.00 0.00 72.50 66.96 3a13 s THR 442 CO 0.22 0.12 1.92 -0.81 -2.21 0.00 0.00 174.62 173.86 3a13 n PRO 443 N 3.53 1.72 0.00 7.08 -0.04 -1.26 -5.00 135.00 141.02 3a13 n PRO 443 Ca 0.09 -2.38 0.16 0.00 -0.04 0.00 0.00 63.50 61.33 3a13 n PRO 443 Cb 0.44 -3.50 0.92 0.00 -0.04 0.00 0.00 33.50 31.32 3a13 n PRO 443 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79