#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a12 n ASP 10 N 0.00 0.41 0.25 7.72 8.00 -1.26 -0.92 116.55 130.76 3a12 n ASP 10 Ca 0.00 0.63 0.11 0.00 0.71 0.00 0.00 54.79 56.24 3a12 n ASP 10 Cb 0.00 -0.71 0.67 0.00 -0.02 0.00 0.00 41.12 41.06 3a12 n ASP 10 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 3a12 h TYR 11 N 0.00 0.00 -0.06 1.24 3.20 -2.00 -2.88 116.97 116.48 3a12 h TYR 11 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3a12 h TYR 11 Cb 0.19 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.46 3a12 h TYR 11 CO 0.00 0.13 0.00 0.66 -1.64 0.00 0.00 178.16 177.31 3a12 n TYR 12 N -3.86 0.06 -4.08 -3.82 4.01 -0.10 -4.75 117.16 104.63 3a12 n TYR 12 Ca -0.02 -0.03 -0.35 0.00 -0.16 0.00 0.00 57.90 57.34 3a12 n TYR 12 Cb 0.23 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.15 3a12 n TYR 12 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3a12 s VAL 13 N -1.94 4.35 -0.36 -0.72 1.01 -1.09 -0.33 120.40 121.32 3a12 s VAL 13 Ca 0.37 -0.18 0.04 0.00 0.00 0.00 0.00 61.98 62.20 3a12 s VAL 13 Cb 0.20 -2.96 0.16 0.00 0.00 0.00 0.00 36.38 33.78 3a12 s VAL 13 CO 0.31 0.44 0.43 -0.62 0.00 0.00 0.00 175.10 175.67 3a12 s ASP 14 N 0.67 0.48 0.10 3.32 -1.08 -0.53 -4.93 116.67 114.70 3a12 s ASP 14 Ca 0.01 -1.17 0.20 0.00 -0.52 0.00 0.00 52.55 51.07 3a12 s ASP 14 Cb -0.14 0.95 0.83 0.00 -1.46 0.00 0.00 42.92 43.10 3a12 s ASP 14 CO 0.02 -0.26 1.63 0.29 0.52 0.00 0.00 175.17 177.37 3a12 n LYS 15 N 4.51 0.09 0.00 4.34 5.02 -1.26 -2.17 118.16 128.69 3a12 n LYS 15 Ca 0.09 0.27 0.12 0.00 -2.02 0.00 0.00 58.31 56.77 3a12 n LYS 15 Cb 0.48 -1.65 0.14 0.00 -0.02 0.00 0.00 35.03 33.98 3a12 n LYS 15 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3a12 n GLY 16 N 0.29 -0.44 3.74 0.72 0.00 -1.26 -4.85 105.19 103.40 3a12 n GLY 16 Ca 0.04 -0.53 -0.41 0.00 0.00 0.00 0.00 46.02 45.11 3a12 n GLY 16 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3a12 s TYR 17 N -2.60 3.05 -0.21 1.61 5.04 -0.92 -5.01 117.35 118.30 3a12 s TYR 17 Ca 0.18 1.06 -0.04 0.00 -2.44 0.00 0.00 57.07 55.84 3a12 s TYR 17 Cb 0.18 -3.79 -0.01 0.00 0.35 0.00 0.00 41.96 38.69 3a12 s TYR 17 CO 0.61 -2.55 -0.04 -2.00 -1.34 0.00 0.00 175.55 170.22 3a12 s GLU 18 N -0.39 3.42 0.41 4.97 2.56 -1.26 -4.94 118.70 123.47 3a12 s GLU 18 Ca 0.59 -0.61 -0.25 0.00 0.00 0.00 0.00 54.97 54.70 3a12 s GLU 18 Cb -0.41 -3.00 -0.08 0.00 2.00 0.00 0.00 34.13 32.64 3a12 s GLU 18 CO 0.43 -0.13 1.15 -1.25 -0.56 0.00 0.00 175.26 174.90 3a12 s PRO 19 N 1.31 4.01 -0.18 4.30 0.04 -1.26 -5.00 135.00 138.23 3a12 s PRO 19 Ca 0.04 1.77 -0.27 0.00 0.04 0.00 0.00 61.00 62.57 3a12 s PRO 19 Cb -0.14 -2.60 -0.01 0.00 0.04 0.00 0.00 34.50 31.79 3a12 s PRO 19 CO -0.02 -0.34 0.94 0.45 0.04 0.00 0.00 177.00 178.08 3a12 s SER 20 N -1.25 7.06 0.29 6.66 0.15 -1.26 -4.95 113.70 120.41 3a12 s SER 20 Ca 0.58 1.32 0.01 0.00 0.70 0.00 0.00 55.95 58.56 3a12 s SER 20 Cb -0.29 -2.50 0.52 0.00 -1.71 0.00 0.00 66.02 62.04 3a12 s SER 20 CO 0.36 -0.50 1.89 0.11 1.20 0.00 0.00 173.24 176.30 3a12 h LYS 21 N 7.33 1.01 0.00 5.44 1.79 -1.94 -1.78 116.57 128.42 3a12 h LYS 21 Ca -0.26 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.15 3a12 h LYS 21 Cb 1.11 -0.23 0.00 0.00 -1.58 0.00 0.00 32.23 31.53 3a12 h LYS 21 CO 0.89 0.67 -0.86 0.87 -1.08 0.00 0.00 179.45 179.94 3a12 h LYS 22 N 1.04 0.00 0.00 3.15 1.79 -1.99 -3.41 116.57 117.15 3a12 h LYS 22 Ca 0.42 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.88 3a12 h LYS 22 Cb 0.28 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.92 3a12 h LYS 22 CO -0.18 0.00 -1.27 0.54 -1.08 0.00 0.00 179.45 177.47 3a12 n ARG 23 N -2.62 0.62 -4.00 3.15 1.74 -1.12 -4.64 116.66 109.79 3a12 n ARG 23 Ca 0.01 -0.04 -0.36 0.00 -0.77 0.00 0.00 57.85 56.69 3a12 n ARG 23 Cb 0.53 -1.13 -0.08 0.00 -1.02 0.00 0.00 32.46 30.76 3a12 n ARG 23 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3a12 s ASP 24 N -2.78 5.91 -0.01 0.55 1.01 -0.69 -1.38 116.67 119.28 3a12 s ASP 24 Ca -0.02 0.26 -0.21 0.00 0.71 0.00 0.00 52.55 53.30 3a12 s ASP 24 Cb 0.03 -1.91 -0.05 0.00 1.01 0.00 0.00 42.92 42.00 3a12 s ASP 24 CO 0.23 0.31 0.60 -0.63 0.21 0.00 0.00 175.17 175.89 3a12 s ILE 25 N -0.44 4.92 -0.15 0.77 1.01 0.27 -4.19 121.20 123.39 3a12 s ILE 25 Ca 0.10 1.25 0.02 0.00 0.00 0.00 0.00 60.65 62.03 3a12 s ILE 25 Cb -0.12 -3.94 0.01 0.00 0.01 0.00 0.00 42.46 38.43 3a12 s ILE 25 CO 0.02 0.40 -0.21 -0.63 0.00 0.00 0.00 174.94 174.52 3a12 s ILE 26 N -0.10 2.02 -0.20 2.92 1.01 -1.05 0.10 121.20 125.90 3a12 s ILE 26 Ca 0.31 -0.94 -0.09 0.00 0.00 0.00 0.00 60.65 59.93 3a12 s ILE 26 Cb -0.18 -1.80 -0.05 0.00 0.01 0.00 0.00 42.46 40.44 3a12 s ILE 26 CO 0.17 0.54 0.11 0.00 0.00 0.00 0.00 174.94 175.76 3a12 s ALA 27 N 1.02 3.57 -0.33 9.38 0.00 0.01 -0.30 121.76 135.11 3a12 s ALA 27 Ca -0.02 -0.76 -0.11 0.00 0.00 0.00 0.00 51.96 51.07 3a12 s ALA 27 Cb -0.14 -2.12 -0.00 0.00 0.00 0.00 0.00 23.12 20.86 3a12 s ALA 27 CO -0.06 0.08 0.19 0.08 0.00 0.00 0.00 175.76 176.04 3a12 s VAL 28 N 0.53 4.77 -0.09 0.00 1.01 -0.74 -0.96 120.40 124.92 3a12 s VAL 28 Ca 0.06 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.57 3a12 s VAL 28 Cb -0.12 -3.49 -0.03 0.00 0.00 0.00 0.00 36.38 32.74 3a12 s VAL 28 CO 0.00 -0.03 -0.08 -0.36 0.00 0.00 0.00 175.10 174.63 3a12 s PHE 29 N 1.63 2.90 -0.42 5.22 0.08 0.25 0.42 117.98 128.06 3a12 s PHE 29 Ca 0.04 -0.13 -0.23 0.00 0.12 0.00 0.00 56.93 56.74 3a12 s PHE 29 Cb -0.18 -1.75 0.02 0.00 -0.57 0.00 0.00 43.02 40.54 3a12 s PHE 29 CO 0.07 0.19 0.77 0.50 -0.10 0.00 0.00 175.22 176.66 3a12 s ARG 30 N -0.49 3.53 -0.15 0.44 3.52 0.96 -0.09 118.95 126.67 3a12 s ARG 30 Ca 0.07 0.03 -0.02 0.00 -0.13 0.00 0.00 55.73 55.68 3a12 s ARG 30 Cb -0.12 -3.89 -0.02 0.00 -1.56 0.00 0.00 34.95 29.36 3a12 s ARG 30 CO 0.02 -1.01 -0.08 0.08 -0.81 0.00 0.00 175.30 173.51 3a12 s VAL 31 N 3.19 3.49 -0.33 7.11 1.01 0.12 -1.45 120.40 133.54 3a12 s VAL 31 Ca 0.30 -0.50 0.01 0.00 0.00 0.00 0.00 61.98 61.79 3a12 s VAL 31 Cb -0.13 -2.51 0.08 0.00 0.00 0.00 0.00 36.38 33.82 3a12 s VAL 31 CO 0.20 0.50 0.04 -0.89 0.00 0.00 0.00 175.10 174.95 3a12 s THR 32 N 0.48 2.62 0.55 3.92 2.01 0.36 -0.46 115.64 125.12 3a12 s THR 32 Ca -0.06 -1.93 -0.21 0.00 0.31 0.00 0.00 61.69 59.81 3a12 s THR 32 Cb -0.15 -2.73 -0.05 0.00 0.01 0.00 0.00 72.50 69.58 3a12 s THR 32 CO 0.03 -0.39 1.24 -2.84 -0.69 0.00 0.00 174.62 171.98 3a12 s PRO 33 N 1.07 3.21 0.87 4.92 0.02 -1.26 0.25 135.00 144.08 3a12 s PRO 33 Ca 0.03 1.94 -0.11 0.00 0.02 0.00 0.00 61.00 62.88 3a12 s PRO 33 Cb -0.20 -2.15 0.12 0.00 0.02 0.00 0.00 34.50 32.29 3a12 s PRO 33 CO -0.05 -1.05 1.10 0.00 -0.33 0.00 0.00 177.00 176.68 3a12 s ALA 34 N -1.49 1.66 0.30 -1.55 0.00 0.05 -4.09 121.76 116.64 3a12 s ALA 34 Ca 0.72 0.26 -0.29 0.00 0.00 0.00 0.00 51.96 52.65 3a12 s ALA 34 Cb -0.33 -3.31 -0.10 0.00 0.00 0.00 0.00 23.12 19.38 3a12 s ALA 34 CO 0.38 -2.35 1.42 -1.83 0.00 0.00 0.00 175.76 173.38 3a12 s GLU 35 N -4.80 4.26 0.00 0.00 -1.05 -1.26 -2.46 118.70 113.38 3a12 s GLU 35 Ca 0.64 2.34 0.00 0.00 -0.15 0.00 0.00 54.97 57.80 3a12 s GLU 35 Cb -0.20 -3.07 0.00 0.00 -0.44 0.00 0.00 34.13 30.42 3a12 s GLU 35 CO 0.57 -0.38 0.00 0.41 0.95 0.00 0.00 175.26 176.81 3a12 n GLY 36 N 1.52 2.88 3.63 -3.83 0.00 -1.26 -5.08 105.19 103.05 3a12 n GLY 36 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 3a12 n GLY 36 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3a12 s TYR 37 N -2.66 2.95 0.60 1.61 2.02 -1.03 -5.12 117.35 115.73 3a12 s TYR 37 Ca 0.00 -0.00 -0.10 0.00 -0.37 0.00 0.00 57.07 56.60 3a12 s TYR 37 Cb 0.00 -1.62 -0.04 0.00 -0.40 0.00 0.00 41.96 39.90 3a12 s TYR 37 CO 0.00 0.41 1.00 0.95 -1.57 0.00 0.00 175.55 176.33 3a12 s THR 38 N -1.05 4.66 0.36 -0.71 -4.23 -1.26 -4.73 115.64 108.68 3a12 s THR 38 Ca 0.18 0.74 0.08 0.00 -1.18 0.00 0.00 61.69 61.52 3a12 s THR 38 Cb -0.11 -3.84 0.32 0.00 1.34 0.00 0.00 72.50 70.20 3a12 s THR 38 CO 0.09 -1.07 1.89 -0.29 -0.54 0.00 0.00 174.62 174.71 3a12 h ILE 39 N -0.25 0.89 -0.70 2.99 6.09 -1.98 -1.41 117.51 123.14 3a12 h ILE 39 Ca -0.45 -0.24 -0.06 0.00 -1.37 0.00 0.00 64.86 62.74 3a12 h ILE 39 Cb 1.20 0.11 -0.03 0.00 0.47 0.00 0.00 36.82 38.57 3a12 h ILE 39 CO 0.62 0.13 0.18 -0.33 -3.07 0.00 0.00 178.15 175.68 3a12 h GLU 40 N 0.71 1.10 -0.07 2.19 3.07 -1.99 0.06 114.58 119.67 3a12 h GLU 40 Ca 0.41 -0.25 -0.11 0.00 -0.50 0.00 0.00 59.36 58.91 3a12 h GLU 40 Cb 0.59 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.34 3a12 h GLU 40 CO -0.17 0.96 -0.44 1.96 -1.40 0.00 0.00 179.01 179.92 3a12 h GLN 41 N 1.05 0.16 0.01 2.33 4.20 -1.66 -1.43 115.11 119.78 3a12 h GLN 41 Ca 0.22 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.84 3a12 h GLN 41 Cb 0.35 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.13 3a12 h GLN 41 CO -0.00 0.58 -0.05 0.00 -0.67 0.00 0.00 178.83 178.69 3a12 h ALA 42 N 1.42 -0.00 -0.85 3.87 0.00 -1.02 -2.91 119.26 119.76 3a12 h ALA 42 Ca 0.01 -0.47 0.03 0.00 0.00 0.00 0.00 54.91 54.48 3a12 h ALA 42 Cb 0.84 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.58 3a12 h ALA 42 CO 0.06 -0.02 0.55 0.00 0.00 0.00 0.00 179.25 179.85 3a12 h ALA 43 N 0.10 1.11 -0.25 0.00 0.00 -1.03 -1.03 119.26 118.15 3a12 h ALA 43 Ca -0.01 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.92 3a12 h ALA 43 Cb 0.95 -0.31 -0.06 0.00 0.00 0.00 0.00 17.79 18.37 3a12 h ALA 43 CO 0.01 0.41 -0.12 0.78 0.00 0.00 0.00 179.25 180.33 3a12 h GLY 44 N 1.09 0.10 1.30 0.00 0.00 -1.33 0.71 103.07 104.94 3a12 h GLY 44 Ca 0.33 0.15 -0.04 0.00 0.00 0.00 0.00 47.33 47.77 3a12 h GLY 44 CO -0.10 -0.14 0.19 0.00 0.00 0.00 0.00 176.54 176.48 3a12 h ALA 45 N 1.13 1.22 -0.07 3.60 0.00 -1.22 0.34 119.26 124.26 3a12 h ALA 45 Ca 0.13 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3a12 h ALA 45 Cb 0.28 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3a12 h ALA 45 CO -0.31 0.55 0.01 0.28 0.00 0.00 0.00 179.25 179.79 3a12 h VAL 46 N 0.87 1.21 0.10 0.00 2.07 -0.54 -0.68 116.25 119.28 3a12 h VAL 46 Ca 0.20 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 67.07 3a12 h VAL 46 Cb 0.25 1.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 3a12 h VAL 46 CO -0.01 0.18 -0.09 0.00 0.02 0.00 0.00 177.57 177.67 3a12 h ALA 47 N 0.78 -0.19 -0.41 1.67 0.00 -0.73 -1.43 119.26 118.96 3a12 h ALA 47 Ca 0.02 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.98 3a12 h ALA 47 Cb 0.28 0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.13 3a12 h ALA 47 CO 0.00 -0.62 0.01 0.00 0.00 0.00 0.00 179.25 178.65 3a12 h ALA 48 N 0.67 0.39 0.00 0.00 0.00 -0.90 -2.59 119.26 116.84 3a12 h ALA 48 Ca 0.00 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3a12 h ALA 48 Cb 0.20 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 3a12 h ALA 48 CO -0.02 -0.38 -0.07 0.93 0.00 0.00 0.00 179.25 179.71 3a12 h GLU 49 N 0.12 0.00 -0.50 0.00 4.39 -0.98 0.33 114.58 117.94 3a12 h GLU 49 Ca 0.20 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.90 3a12 h GLU 49 Cb 0.28 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 3a12 h GLU 49 CO -0.32 0.07 0.00 -1.13 -1.16 0.00 0.00 179.01 176.47 3a12 n SER 50 N -3.13 2.85 0.00 1.42 3.41 -0.55 -4.85 113.62 112.77 3a12 n SER 50 Ca 0.03 -1.98 0.00 0.00 -0.26 0.00 0.00 58.87 56.66 3a12 n SER 50 Cb 0.50 -0.33 0.00 0.00 -0.26 0.00 0.00 64.21 64.12 3a12 n SER 50 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3a12 n SER 51 N 1.06 0.00 -0.57 4.04 2.88 -0.92 -4.50 113.62 115.61 3a12 n SER 51 Ca 0.18 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.77 3a12 n SER 51 Cb 0.46 0.00 0.15 0.00 -0.75 0.00 0.00 64.21 64.07 3a12 n SER 51 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3a12 n THR 52 N 0.00 1.23 -2.01 2.46 -2.24 -1.10 -5.04 114.28 107.58 3a12 n THR 52 Ca 0.00 -1.17 -0.15 0.00 -2.27 0.00 0.00 64.05 60.45 3a12 n THR 52 Cb 0.00 0.36 0.10 0.00 -2.10 0.00 0.00 70.33 68.69 3a12 n THR 52 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3a12 n GLY 53 N 0.16 -0.32 3.74 3.38 0.00 0.11 -5.04 105.19 107.22 3a12 n GLY 53 Ca 0.12 -1.85 -0.08 0.00 0.00 0.00 0.00 46.02 44.21 3a12 n GLY 53 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3a12 s THR 54 N -2.22 0.00 -0.08 2.61 -1.32 -1.26 -4.84 115.64 108.53 3a12 s THR 54 Ca 0.42 -1.18 0.22 0.00 -1.21 0.00 0.00 61.69 59.94 3a12 s THR 54 Cb -0.02 -2.16 -0.26 0.00 -1.51 0.00 0.00 72.50 68.56 3a12 s THR 54 CO 0.29 0.00 0.60 -2.67 -2.21 0.00 0.00 174.62 170.62 3a12 n TRP 55 N -0.44 0.24 -2.17 9.09 4.27 -1.26 -4.85 117.44 122.32 3a12 n TRP 55 Ca -0.03 0.07 0.00 0.00 -3.89 0.00 0.00 57.50 53.65 3a12 n TRP 55 Cb 0.60 -0.63 0.00 0.00 -1.36 0.00 0.00 31.31 29.92 3a12 n TRP 55 CO 0.00 0.00 0.00 -2.37 -2.29 0.00 0.00 177.69 173.03 3a12 n THR 56 N -2.38 0.00 -3.45 -1.67 5.66 -1.26 -5.05 114.28 106.13 3a12 n THR 56 Ca -0.04 0.00 -0.38 0.00 -3.05 0.00 0.00 64.05 60.58 3a12 n THR 56 Cb 0.59 -0.12 -0.08 0.00 -1.55 0.00 0.00 70.33 69.16 3a12 n THR 56 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3a12 s THR 57 N 1.83 5.24 0.62 1.09 -4.23 -1.26 -5.02 115.64 113.90 3a12 s THR 57 Ca 0.00 0.57 -0.19 0.00 -1.18 0.00 0.00 61.69 60.90 3a12 s THR 57 Cb 0.00 -3.67 -0.02 0.00 1.34 0.00 0.00 72.50 70.14 3a12 s THR 57 CO 0.00 0.27 1.28 -1.48 -0.54 0.00 0.00 174.62 174.15 3a12 s LEU 58 N 1.28 3.64 -0.18 4.79 -0.00 -1.26 -5.04 118.68 121.92 3a12 s LEU 58 Ca 0.16 2.58 -0.02 0.00 -0.00 0.00 0.00 54.13 56.85 3a12 s LEU 58 Cb -0.14 -4.56 -0.01 0.00 -0.00 0.00 0.00 46.19 41.47 3a12 s LEU 58 CO 0.07 -1.83 -0.10 -0.47 -0.00 0.00 0.00 176.35 174.02 3a12 s TYR 59 N -1.43 2.88 -0.85 3.48 5.04 -1.26 -5.06 117.35 120.14 3a12 s TYR 59 Ca 0.80 -0.88 -0.25 0.00 -2.44 0.00 0.00 57.07 54.30 3a12 s TYR 59 Cb -0.36 -1.97 -0.00 0.00 0.35 0.00 0.00 41.96 39.98 3a12 s TYR 59 CO 0.39 -0.42 1.69 -1.25 -1.34 0.00 0.00 175.55 174.62 3a12 s PRO 60 N 0.95 2.95 -0.00 4.97 0.04 -1.26 -4.68 135.00 137.97 3a12 s PRO 60 Ca -0.02 -0.34 0.01 0.00 0.04 0.00 0.00 61.00 60.69 3a12 s PRO 60 Cb -0.15 -4.88 0.01 0.00 0.04 0.00 0.00 34.50 29.52 3a12 s PRO 60 CO -0.01 -2.74 1.00 -2.67 0.04 0.00 0.00 177.00 172.62 3a12 n TRP 61 N 11.62 0.00 -4.19 0.56 4.27 -1.26 -5.06 117.44 123.38 3a12 n TRP 61 Ca 0.29 -0.51 -0.12 0.00 -3.89 0.00 0.00 57.50 53.27 3a12 n TRP 61 Cb 0.49 -0.05 -0.10 0.00 -1.36 0.00 0.00 31.31 30.29 3a12 n TRP 61 CO 0.00 0.00 0.00 1.52 -2.29 0.00 0.00 177.69 176.92 3a12 s TYR 62 N -1.05 1.08 -0.32 -2.67 -0.85 -1.26 -5.11 117.35 107.18 3a12 s TYR 62 Ca 0.01 -1.28 -0.29 0.00 -0.52 0.00 0.00 57.07 54.99 3a12 s TYR 62 Cb 0.01 -0.57 -0.00 0.00 0.38 0.00 0.00 41.96 41.77 3a12 s TYR 62 CO 0.00 -0.53 1.45 -2.00 -1.52 0.00 0.00 175.55 172.95 3a12 s GLU 63 N -4.09 3.74 0.42 -3.49 2.12 -1.26 -4.90 118.70 111.24 3a12 s GLU 63 Ca 0.32 1.26 0.14 0.00 0.36 0.00 0.00 54.97 57.06 3a12 s GLU 63 Cb 0.07 -3.99 0.90 0.00 0.26 0.00 0.00 34.13 31.38 3a12 s GLU 63 CO 0.08 -1.36 1.92 1.96 -0.54 0.00 0.00 175.26 177.32 3a12 h GLN 64 N 10.35 0.00 -0.46 4.30 4.20 -1.99 -2.47 115.11 129.04 3a12 h GLN 64 Ca -0.29 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.35 3a12 h GLN 64 Cb 1.12 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.88 3a12 h GLN 64 CO 1.04 0.26 0.02 0.93 -0.67 0.00 0.00 178.83 180.42 3a12 h GLU 65 N 0.00 0.80 0.28 1.46 4.39 -1.98 0.27 114.58 119.78 3a12 h GLU 65 Ca -0.00 -0.24 -0.01 0.00 0.34 0.00 0.00 59.36 59.44 3a12 h GLU 65 Cb 0.48 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 3a12 h GLU 65 CO 0.03 0.84 -0.13 -0.09 -1.16 0.00 0.00 179.01 178.50 3a12 h ARG 66 N 0.65 -0.36 -0.26 2.33 2.43 -1.88 -0.67 114.38 116.62 3a12 h ARG 66 Ca 0.13 0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.39 3a12 h ARG 66 Cb 0.47 0.08 -0.07 0.00 -0.42 0.00 0.00 29.97 30.03 3a12 h ARG 66 CO 0.02 -0.11 -0.28 2.35 -1.51 0.00 0.00 179.97 180.43 3a12 h TRP 67 N -0.56 -0.77 -0.38 2.20 7.01 -1.42 -0.77 115.95 121.27 3a12 h TRP 67 Ca -0.04 0.04 -0.00 0.00 2.11 0.00 0.00 58.89 61.00 3a12 h TRP 67 Cb 0.41 0.38 -0.02 0.00 -2.10 0.00 0.00 29.16 27.83 3a12 h TRP 67 CO -0.01 -0.36 0.22 0.00 -2.79 0.00 0.00 178.44 175.51 3a12 h ALA 68 N 0.69 1.69 0.00 2.65 0.00 -0.87 -2.25 119.26 121.16 3a12 h ALA 68 Ca 0.14 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3a12 h ALA 68 Cb 0.50 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3a12 h ALA 68 CO -0.42 0.28 -0.20 0.22 0.00 0.00 0.00 179.25 179.12 3a12 h ASP 69 N 0.51 0.00 0.03 0.00 3.58 0.33 -3.08 116.42 117.79 3a12 h ASP 69 Ca 0.14 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.59 3a12 h ASP 69 Cb -0.01 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.04 3a12 h ASP 69 CO -0.03 0.20 -0.40 0.18 -2.88 0.00 0.00 179.24 176.32 3a12 n LEU 70 N -3.37 1.92 -4.78 2.28 4.77 -0.79 -4.88 117.00 112.15 3a12 n LEU 70 Ca 0.00 -0.69 -0.37 0.00 -0.03 0.00 0.00 56.01 54.92 3a12 n LEU 70 Cb 0.42 -0.02 -0.04 0.00 -2.33 0.00 0.00 43.42 41.44 3a12 n LEU 70 CO 0.33 0.35 0.73 -0.44 -1.33 0.00 0.00 177.39 177.03 3a12 s SER 71 N -2.44 6.94 0.44 -1.43 0.01 -1.13 -4.68 113.70 111.41 3a12 s SER 71 Ca 0.21 2.05 -0.09 0.00 1.31 0.00 0.00 55.95 59.42 3a12 s SER 71 Cb 0.18 -2.59 -0.05 0.00 0.21 0.00 0.00 66.02 63.77 3a12 s SER 71 CO 0.54 -0.36 0.79 0.00 0.41 0.00 0.00 173.24 174.62 3a12 s ALA 72 N -1.56 3.35 -0.11 1.44 0.00 -1.26 -4.71 121.76 118.90 3a12 s ALA 72 Ca 0.54 -0.28 0.01 0.00 0.00 0.00 0.00 51.96 52.23 3a12 s ALA 72 Cb -0.23 -2.70 0.02 0.00 0.00 0.00 0.00 23.12 20.21 3a12 s ALA 72 CO 0.29 -0.15 -0.12 0.15 0.00 0.00 0.00 175.76 175.93 3a12 s LYS 73 N -4.19 1.95 -0.23 0.00 -0.14 -0.77 -4.69 119.74 111.67 3a12 s LYS 73 Ca 0.50 -0.45 -0.29 0.00 -1.36 0.00 0.00 55.97 54.38 3a12 s LYS 73 Cb -0.10 -1.77 0.01 0.00 -1.68 0.00 0.00 37.83 34.29 3a12 s LYS 73 CO 0.37 -0.14 1.08 0.00 -0.76 0.00 0.00 175.35 175.89 3a12 s ALA 74 N 1.24 3.67 0.00 5.17 0.00 0.55 -0.90 121.76 131.49 3a12 s ALA 74 Ca -0.02 0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.15 3a12 s ALA 74 Cb -0.14 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.41 3a12 s ALA 74 CO -0.04 -1.10 0.00 2.48 0.00 0.00 0.00 175.76 177.09 3a12 n TYR 75 N 6.41 0.00 -3.91 0.00 0.18 0.03 -1.45 117.16 118.42 3a12 n TYR 75 Ca 0.12 0.00 -0.22 0.00 1.88 0.00 0.00 57.90 59.68 3a12 n TYR 75 Cb 0.46 0.00 -0.17 0.00 -0.38 0.00 0.00 39.34 39.25 3a12 n TYR 75 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 3a12 s ASP 76 N -1.43 1.42 -0.16 9.48 2.15 -1.21 -4.46 116.67 122.47 3a12 s ASP 76 Ca 0.00 -0.12 0.02 0.00 0.43 0.00 0.00 52.55 52.88 3a12 s ASP 76 Cb 0.00 -0.48 0.01 0.00 -0.30 0.00 0.00 42.92 42.15 3a12 s ASP 76 CO 0.00 -0.14 -0.20 -0.36 -0.17 0.00 0.00 175.17 174.30 3a12 s PHE 77 N 1.59 2.73 -0.25 -5.34 0.08 -1.26 -1.08 117.98 114.45 3a12 s PHE 77 Ca -0.00 -1.39 0.01 0.00 0.12 0.00 0.00 56.93 55.67 3a12 s PHE 77 Cb -0.13 -1.87 0.06 0.00 -0.57 0.00 0.00 43.02 40.52 3a12 s PHE 77 CO -0.04 -0.65 -0.05 -1.58 -0.10 0.00 0.00 175.22 172.80 3a12 s HIS 78 N 0.98 2.61 0.03 0.36 5.65 -0.04 -4.97 115.29 119.91 3a12 s HIS 78 Ca -0.03 -1.93 -0.30 0.00 0.25 0.00 0.00 55.06 53.05 3a12 s HIS 78 Cb -0.15 -1.73 -0.08 0.00 -1.18 0.00 0.00 32.58 29.44 3a12 s HIS 78 CO -0.05 -0.81 1.87 0.34 -0.65 0.00 0.00 174.74 175.44 3a12 s ASP 79 N 1.32 6.50 0.27 9.88 -1.08 -1.26 -0.58 116.67 131.71 3a12 s ASP 79 Ca -0.05 2.58 0.24 0.00 -0.52 0.00 0.00 52.55 54.81 3a12 s ASP 79 Cb -0.19 -2.54 0.47 0.00 -1.46 0.00 0.00 42.92 39.20 3a12 s ASP 79 CO -0.07 -1.01 1.55 0.24 0.52 0.00 0.00 175.17 176.40 3a12 h MET 80 N 10.04 0.00 0.00 4.34 2.86 -1.60 -3.48 114.93 127.09 3a12 h MET 80 Ca -0.47 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.17 3a12 h MET 80 Cb 1.22 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.88 3a12 h MET 80 CO 0.94 0.00 0.00 0.41 1.06 0.00 0.00 176.91 179.32 3a12 n GLY 81 N 1.23 0.72 0.15 8.32 0.00 -1.26 -4.93 105.19 109.43 3a12 n GLY 81 Ca 0.04 -0.16 0.03 0.00 0.00 0.00 0.00 46.02 45.93 3a12 n GLY 81 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3a12 n ASP 82 N 0.29 1.06 0.00 1.61 5.68 -1.26 -4.96 116.55 118.97 3a12 n ASP 82 Ca 0.00 -2.03 0.00 0.00 -0.50 0.00 0.00 54.79 52.26 3a12 n ASP 82 Cb 0.00 -0.16 0.00 0.00 -1.14 0.00 0.00 41.12 39.82 3a12 n ASP 82 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3a12 n GLY 83 N -0.48 0.49 3.55 6.12 0.00 -1.26 -5.07 105.19 108.54 3a12 n GLY 83 Ca 0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 3a12 n GLY 83 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3a12 s SER 84 N -2.34 4.06 0.06 1.61 1.04 -1.26 -4.28 113.70 112.59 3a12 s SER 84 Ca 0.00 -0.76 0.04 0.00 0.48 0.00 0.00 55.95 55.72 3a12 s SER 84 Cb 0.00 -0.58 -0.03 0.00 0.10 0.00 0.00 66.02 65.51 3a12 s SER 84 CO 0.00 0.06 -0.13 0.26 0.98 0.00 0.00 173.24 174.41 3a12 s TRP 85 N -2.10 1.08 -0.37 5.02 0.52 0.39 -1.42 118.94 122.05 3a12 s TRP 85 Ca 0.28 -0.46 -0.21 0.00 0.02 0.00 0.00 56.10 55.74 3a12 s TRP 85 Cb -0.07 -0.61 0.01 0.00 -1.15 0.00 0.00 33.47 31.64 3a12 s TRP 85 CO 0.16 0.02 0.64 0.42 0.02 0.00 0.00 176.95 178.21 3a12 s ILE 86 N -1.25 4.87 -0.13 2.03 -1.09 0.25 0.17 121.20 126.05 3a12 s ILE 86 Ca -0.04 0.49 -0.00 0.00 -2.23 0.00 0.00 60.65 58.88 3a12 s ILE 86 Cb -0.10 -4.11 -0.02 0.00 -1.58 0.00 0.00 42.46 36.66 3a12 s ILE 86 CO 0.02 -0.38 -0.13 -0.69 -1.23 0.00 0.00 174.94 172.53 3a12 s VAL 87 N 2.74 3.09 -0.17 2.92 1.01 0.87 -0.86 120.40 130.01 3a12 s VAL 87 Ca 0.24 -0.65 -0.08 0.00 0.00 0.00 0.00 61.98 61.49 3a12 s VAL 87 Cb -0.14 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.90 3a12 s VAL 87 CO 0.16 0.53 0.11 -0.13 0.00 0.00 0.00 175.10 175.77 3a12 s ARG 88 N 0.31 3.88 -0.09 2.72 0.52 -0.24 -0.58 118.95 125.46 3a12 s ARG 88 Ca -0.10 -0.23 0.02 0.00 -0.52 0.00 0.00 55.73 54.90 3a12 s ARG 88 Cb -0.16 -3.29 0.01 0.00 0.52 0.00 0.00 34.95 32.04 3a12 s ARG 88 CO 0.05 0.45 -0.15 0.42 0.02 0.00 0.00 175.30 176.09 3a12 s ILE 89 N -0.09 1.44 -0.15 1.52 1.01 -0.14 -0.79 121.20 124.01 3a12 s ILE 89 Ca 0.09 -0.63 -0.07 0.00 0.00 0.00 0.00 60.65 60.04 3a12 s ILE 89 Cb -0.12 -1.31 -0.04 0.00 0.01 0.00 0.00 42.46 41.01 3a12 s ILE 89 CO 0.00 0.43 0.09 0.00 0.00 0.00 0.00 174.94 175.46 3a12 s ALA 90 N 0.79 3.59 -0.05 9.38 0.00 -0.08 -0.81 121.76 134.59 3a12 s ALA 90 Ca -0.11 -0.71 0.06 0.00 0.00 0.00 0.00 51.96 51.20 3a12 s ALA 90 Cb -0.16 -1.91 -0.01 0.00 0.00 0.00 0.00 23.12 21.04 3a12 s ALA 90 CO 0.02 0.38 -0.23 0.71 0.00 0.00 0.00 175.76 176.65 3a12 s TYR 91 N -0.29 2.20 0.16 0.00 2.02 0.28 -1.85 117.35 119.87 3a12 s TYR 91 Ca 0.09 -0.64 -0.30 0.00 -0.37 0.00 0.00 57.07 55.85 3a12 s TYR 91 Cb -0.12 -1.45 -0.08 0.00 -0.40 0.00 0.00 41.96 39.91 3a12 s TYR 91 CO 0.01 -0.19 1.22 -1.25 -1.57 0.00 0.00 175.55 173.77 3a12 s PRO 92 N -0.12 4.46 0.39 -1.71 0.04 -1.26 0.94 135.00 137.75 3a12 s PRO 92 Ca -0.03 1.89 0.09 0.00 0.04 0.00 0.00 61.00 62.99 3a12 s PRO 92 Cb -0.13 -3.26 0.87 0.00 0.04 0.00 0.00 34.50 32.02 3a12 s PRO 92 CO 0.03 -0.16 1.97 0.27 0.04 0.00 0.00 177.00 179.15 3a12 h PHE 93 N 5.65 0.62 0.00 0.56 -5.15 -1.58 -0.96 116.94 116.09 3a12 h PHE 93 Ca -0.44 0.02 0.00 0.00 -0.20 0.00 0.00 57.97 57.35 3a12 h PHE 93 Cb 1.21 -0.20 0.00 0.00 0.22 0.00 0.00 35.95 37.18 3a12 h PHE 93 CO 0.63 0.32 0.00 -2.39 -2.00 0.00 0.00 178.31 174.87 3a12 n HIS 94 N -4.48 0.00 0.25 6.09 1.44 -1.26 -2.24 115.22 115.02 3a12 n HIS 94 Ca 0.10 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.93 3a12 n HIS 94 Cb 0.29 -0.01 0.18 0.00 0.12 0.00 0.00 29.99 30.57 3a12 n HIS 94 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3a12 h ALA 95 N 2.44 0.97 -3.46 1.59 0.00 -1.50 -3.46 119.26 115.84 3a12 h ALA 95 Ca 0.00 0.00 -0.66 0.00 0.00 0.00 0.00 54.91 54.25 3a12 h ALA 95 Cb 0.05 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 17.70 3a12 h ALA 95 CO 0.00 0.00 -0.69 -0.06 0.00 0.00 0.00 179.25 178.50 3a12 s PHE 96 N -3.21 2.92 0.25 0.00 0.08 -0.95 -5.09 117.98 111.98 3a12 s PHE 96 Ca 0.07 -0.05 -0.31 0.00 0.12 0.00 0.00 56.93 56.76 3a12 s PHE 96 Cb 0.06 -1.55 -0.12 0.00 -0.57 0.00 0.00 43.02 40.84 3a12 s PHE 96 CO 0.67 0.44 1.57 -1.91 -0.10 0.00 0.00 175.22 175.89 3a12 n GLU 97 N 0.94 2.50 -1.72 0.44 2.13 -1.26 -4.93 120.64 118.73 3a12 n GLU 97 Ca -0.13 0.89 -0.42 0.00 0.66 0.00 0.00 57.16 58.16 3a12 n GLU 97 Cb 0.52 -2.66 -0.01 0.00 0.27 0.00 0.00 31.44 29.56 3a12 n GLU 97 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 3a12 n GLU 98 N 2.59 2.42 -3.85 5.31 1.02 -1.26 -3.32 120.64 123.55 3a12 n GLU 98 Ca 0.12 0.85 -0.27 0.00 -0.02 0.00 0.00 57.16 57.84 3a12 n GLU 98 Cb 0.34 -2.55 0.02 0.00 -0.02 0.00 0.00 31.44 29.23 3a12 n GLU 98 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3a12 n ALA 99 N 1.28 -1.62 -3.57 0.62 0.00 -1.26 -4.94 120.51 111.01 3a12 n ALA 99 Ca 0.07 0.01 -0.28 0.00 0.00 0.00 0.00 53.44 53.24 3a12 n ALA 99 Cb 0.36 -3.24 -0.11 0.00 0.00 0.00 0.00 19.45 16.46 3a12 n ALA 99 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3a12 s ASN 100 N -3.80 2.69 0.15 0.00 3.84 -1.21 -5.00 114.94 111.62 3a12 s ASN 100 Ca 0.36 -3.19 -0.17 0.00 0.21 0.00 0.00 52.86 50.08 3a12 s ASN 100 Cb -0.18 -0.83 -0.00 0.00 -0.55 0.00 0.00 41.25 39.69 3a12 s ASN 100 CO 0.83 -0.17 1.81 0.25 -2.79 0.00 0.00 177.10 177.04 3a12 h LEU 101 N 5.77 0.42 -0.91 3.21 5.85 -1.92 -1.91 115.31 125.83 3a12 h LEU 101 Ca 0.19 -0.01 0.14 0.00 0.84 0.00 0.00 57.88 59.04 3a12 h LEU 101 Cb 0.87 -0.10 -0.09 0.00 0.37 0.00 0.00 40.66 41.71 3a12 h LEU 101 CO 0.47 0.30 0.52 -0.65 -0.34 0.00 0.00 178.44 178.75 3a12 h PRO 102 N 0.50 0.75 -0.66 5.25 0.11 -1.94 0.29 132.00 136.30 3a12 h PRO 102 Ca 0.13 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.18 3a12 h PRO 102 Cb -0.06 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 30.85 3a12 h PRO 102 CO -0.03 0.50 0.32 0.78 -0.21 0.00 0.00 178.00 179.36 3a12 h GLY 103 N 0.77 1.02 0.93 -0.55 0.00 -1.81 -1.63 103.07 101.80 3a12 h GLY 103 Ca 0.48 -0.50 -0.03 0.00 0.00 0.00 0.00 47.33 47.27 3a12 h GLY 103 CO -0.32 0.48 0.12 -2.00 0.00 0.00 0.00 176.54 174.82 3a12 h LEU 104 N 0.91 0.57 -1.63 3.11 5.85 -0.58 -2.89 115.31 120.65 3a12 h LEU 104 Ca 0.23 -0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 3a12 h LEU 104 Cb 0.11 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 3a12 h LEU 104 CO -0.03 0.63 0.21 -0.07 -0.34 0.00 0.00 178.44 178.83 3a12 h LEU 105 N 0.48 0.40 -2.11 2.25 3.38 -0.78 -1.01 115.31 117.91 3a12 h LEU 105 Ca 0.12 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 3a12 h LEU 105 Cb 0.27 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 3a12 h LEU 105 CO -0.00 0.30 -0.06 0.00 0.09 0.00 0.00 178.44 178.77 3a12 h ALA 106 N 1.77 1.15 0.00 1.53 0.00 -1.08 0.11 119.26 122.73 3a12 h ALA 106 Ca 0.12 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 3a12 h ALA 106 Cb -0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3a12 h ALA 106 CO -0.02 0.07 -0.57 0.77 0.00 0.00 0.00 179.25 179.49 3a12 h SER 107 N 0.00 0.00 -0.03 0.00 0.02 -1.20 -3.29 113.55 109.04 3a12 h SER 107 Ca -0.00 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 3a12 h SER 107 Cb 0.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.82 3a12 h SER 107 CO 0.01 0.89 0.00 2.30 -1.14 0.00 0.00 176.83 178.89 3a12 n ILE 108 N -4.60 0.02 -2.59 3.27 -6.64 -0.74 -3.95 119.36 104.14 3a12 n ILE 108 Ca -0.12 -0.28 0.00 0.00 -1.77 0.00 0.00 62.75 60.58 3a12 n ILE 108 Cb 0.33 0.57 0.04 0.00 -1.44 0.00 0.00 39.64 39.14 3a12 n ILE 108 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3a12 n ALA 109 N 0.29 2.70 -2.15 -1.28 0.00 0.36 -5.00 120.51 115.44 3a12 n ALA 109 Ca 0.18 -2.10 0.00 0.00 0.00 0.00 0.00 53.44 51.53 3a12 n ALA 109 Cb 0.37 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 19.07 3a12 n ALA 109 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a12 n GLY 110 N -0.27 0.61 0.35 0.00 0.00 -1.15 -4.81 105.19 99.91 3a12 n GLY 110 Ca -0.01 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.18 3a12 n GLY 110 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3a12 h ASN 111 N 0.00 0.00 -0.50 1.61 2.35 -1.87 -3.14 115.58 114.03 3a12 h ASN 111 Ca 0.00 0.00 0.12 0.00 -0.55 0.00 0.00 56.30 55.87 3a12 h ASN 111 Cb 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 3a12 h ASN 111 CO 0.00 0.00 0.35 0.16 -1.65 0.00 0.00 177.43 176.29 3a12 h ILE 112 N 0.00 0.82 0.00 2.81 3.07 -1.88 -0.07 117.51 122.26 3a12 h ILE 112 Ca 0.15 -0.05 0.00 0.00 1.55 0.00 0.00 64.86 66.51 3a12 h ILE 112 Cb 0.68 0.66 0.00 0.00 -0.27 0.00 0.00 36.82 37.89 3a12 h ILE 112 CO -0.00 0.03 0.00 -0.26 -1.05 0.00 0.00 178.15 176.86 3a12 h PHE 113 N 0.14 0.00 -0.40 0.16 0.04 -1.90 -2.88 116.94 112.10 3a12 h PHE 113 Ca 0.24 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.01 3a12 h PHE 113 Cb 0.75 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.90 3a12 h PHE 113 CO -0.00 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.12 3a12 n GLY 114 N -0.92 2.39 3.72 -1.45 0.00 -0.04 -4.85 105.19 104.04 3a12 n GLY 114 Ca -0.02 -0.48 -0.42 0.00 0.00 0.00 0.00 46.02 45.10 3a12 n GLY 114 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3a12 s MET 115 N -1.02 4.35 0.56 1.61 -1.94 -1.09 -4.90 119.30 116.86 3a12 s MET 115 Ca 0.29 2.03 0.24 0.00 -1.71 0.00 0.00 55.69 56.53 3a12 s MET 115 Cb 0.15 -3.25 1.55 0.00 2.01 0.00 0.00 34.83 35.29 3a12 s MET 115 CO 0.20 -0.38 2.17 0.87 -0.01 0.00 0.00 175.02 177.88 3a12 h LYS 116 N 6.53 0.00 -0.02 2.03 1.57 -1.94 -2.44 116.57 122.30 3a12 h LYS 116 Ca -0.43 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.36 3a12 h LYS 116 Cb 1.21 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.52 3a12 h LYS 116 CO 0.84 0.00 0.02 -0.09 -0.57 0.00 0.00 179.45 179.65 3a12 h ARG 117 N 0.00 0.00 -6.21 3.15 9.65 -1.97 -3.42 114.38 115.58 3a12 h ARG 117 Ca 0.03 0.00 -0.69 0.00 -1.10 0.00 0.00 59.98 58.23 3a12 h ARG 117 Cb 0.16 0.00 -0.21 0.00 -1.39 0.00 0.00 29.97 28.52 3a12 h ARG 117 CO -0.00 0.00 -0.73 0.14 2.80 0.00 0.00 179.97 182.18 3a12 s VAL 118 N -4.62 3.37 0.08 0.20 -7.23 -0.92 -0.77 120.40 110.51 3a12 s VAL 118 Ca -0.05 -0.60 -0.05 0.00 -1.81 0.00 0.00 61.98 59.47 3a12 s VAL 118 Cb 0.15 -2.35 -0.27 0.00 0.56 0.00 0.00 36.38 34.47 3a12 s VAL 118 CO 0.54 0.59 1.16 0.50 -0.31 0.00 0.00 175.10 177.58 3a12 h LYS 119 N 5.33 0.31 -2.82 4.82 3.64 0.31 -3.42 116.57 124.74 3a12 h LYS 119 Ca -0.47 -0.49 -0.12 0.00 -1.27 0.00 0.00 60.65 58.30 3a12 h LYS 119 Cb 1.16 0.18 -0.23 0.00 -0.41 0.00 0.00 32.23 32.93 3a12 h LYS 119 CO 0.51 1.22 -0.25 0.20 -2.27 0.00 0.00 179.45 178.86 3a12 s GLY 120 N -4.62 -0.27 -0.09 5.01 0.00 -0.89 -4.97 107.32 101.49 3a12 s GLY 120 Ca -0.04 0.93 -0.03 0.00 0.00 0.00 0.00 44.72 45.57 3a12 s GLY 120 CO 0.89 0.76 0.11 -2.27 0.00 0.00 0.00 173.10 172.58 3a12 s LEU 121 N -0.20 0.09 -0.19 0.66 2.96 -0.97 -0.49 118.68 120.54 3a12 s LEU 121 Ca -0.04 0.01 0.01 0.00 -0.22 0.00 0.00 54.13 53.89 3a12 s LEU 121 Cb -0.03 0.01 0.03 0.00 0.50 0.00 0.00 46.19 46.70 3a12 s LEU 121 CO 0.02 -0.27 -0.14 -0.60 -1.32 0.00 0.00 176.35 174.03 3a12 s ARG 122 N 2.21 2.42 -0.42 1.98 3.00 -0.53 -0.95 118.95 126.68 3a12 s ARG 122 Ca 0.04 -0.85 -0.29 0.00 -1.00 0.00 0.00 55.73 53.63 3a12 s ARG 122 Cb -0.13 -2.46 0.02 0.00 0.00 0.00 0.00 34.95 32.38 3a12 s ARG 122 CO -0.06 -0.34 1.15 -1.17 0.00 0.00 0.00 175.30 174.89 3a12 s LEU 123 N 1.34 3.73 -0.12 -0.88 2.96 0.03 -0.03 118.68 125.71 3a12 s LEU 123 Ca 0.01 0.71 0.04 0.00 -0.22 0.00 0.00 54.13 54.67 3a12 s LEU 123 Cb -0.15 -3.55 -0.24 0.00 0.50 0.00 0.00 46.19 42.76 3a12 s LEU 123 CO -0.10 -1.15 0.35 -0.62 -1.32 0.00 0.00 176.35 173.51 3a12 n GLU 124 N 7.56 0.69 -3.76 1.98 -0.58 0.17 -1.44 120.64 125.25 3a12 n GLU 124 Ca 0.13 0.23 -0.10 0.00 -0.42 0.00 0.00 57.16 56.99 3a12 n GLU 124 Cb 0.48 -1.69 -0.04 0.00 -0.57 0.00 0.00 31.44 29.62 3a12 n GLU 124 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3a12 s ASP 125 N -6.44 -0.22 -0.18 1.62 -1.08 -1.12 -4.43 116.67 104.82 3a12 s ASP 125 Ca -0.16 -0.52 -0.04 0.00 -0.52 0.00 0.00 52.55 51.31 3a12 s ASP 125 Cb 0.07 0.55 0.08 0.00 -1.46 0.00 0.00 42.92 42.16 3a12 s ASP 125 CO 0.77 -1.02 0.17 -0.22 0.52 0.00 0.00 175.17 175.39 3a12 s LEU 126 N -2.88 0.05 -0.18 -1.34 2.96 -1.26 -1.79 118.68 114.24 3a12 s LEU 126 Ca 0.10 -0.28 -0.16 0.00 -0.22 0.00 0.00 54.13 53.57 3a12 s LEU 126 Cb -0.00 0.15 -0.04 0.00 0.50 0.00 0.00 46.19 46.80 3a12 s LEU 126 CO -0.03 -0.32 0.38 -0.47 -1.32 0.00 0.00 176.35 174.59 3a12 s TYR 127 N 2.26 3.41 -0.18 5.38 5.04 0.59 -4.97 117.35 128.88 3a12 s TYR 127 Ca 0.05 0.64 -0.04 0.00 -2.44 0.00 0.00 57.07 55.28 3a12 s TYR 127 Cb -0.15 -2.49 -0.02 0.00 0.35 0.00 0.00 41.96 39.64 3a12 s TYR 127 CO -0.10 0.06 -0.02 -0.06 -1.34 0.00 0.00 175.55 174.09 3a12 s PHE 128 N 1.05 3.02 0.81 4.97 0.08 -1.26 -2.52 117.98 124.14 3a12 s PHE 128 Ca 0.19 -0.40 -0.11 0.00 0.12 0.00 0.00 56.93 56.74 3a12 s PHE 128 Cb -0.14 -2.01 0.08 0.00 -0.57 0.00 0.00 43.02 40.38 3a12 s PHE 128 CO 0.07 -0.14 1.10 -1.25 -0.10 0.00 0.00 175.22 174.90 3a12 s PRO 129 N 0.66 1.92 0.26 0.24 0.04 -1.26 -4.71 135.00 132.15 3a12 s PRO 129 Ca -0.02 1.14 -0.03 0.00 0.04 0.00 0.00 61.00 62.13 3a12 s PRO 129 Cb -0.14 -1.86 0.54 0.00 0.04 0.00 0.00 34.50 33.07 3a12 s PRO 129 CO 0.02 -1.87 1.65 1.49 0.04 0.00 0.00 177.00 178.34 3a12 h GLU 130 N -1.29 0.19 -0.78 4.56 4.81 -1.82 0.06 114.58 120.30 3a12 h GLU 130 Ca -0.45 -0.01 0.15 0.00 -0.13 0.00 0.00 59.36 58.92 3a12 h GLU 130 Cb 1.24 -0.04 -0.15 0.00 0.63 0.00 0.00 28.75 30.44 3a12 h GLU 130 CO 0.51 0.12 -0.24 -0.22 -0.73 0.00 0.00 179.01 178.45 3a12 h LYS 131 N 0.19 -0.03 -0.16 1.92 1.63 -1.92 -0.52 116.57 117.68 3a12 h LYS 131 Ca 0.46 0.00 -0.22 0.00 -0.85 0.00 0.00 60.65 60.05 3a12 h LYS 131 Cb 0.85 0.01 0.01 0.00 -0.60 0.00 0.00 32.23 32.49 3a12 h LYS 131 CO -0.61 -0.02 -0.75 -0.07 -3.45 0.00 0.00 179.45 174.55 3a12 h LEU 132 N -0.03 0.91 -1.16 5.20 4.07 -1.35 -2.97 115.31 119.99 3a12 h LEU 132 Ca 0.35 -0.58 0.15 0.00 0.08 0.00 0.00 57.88 57.88 3a12 h LEU 132 Cb 0.58 -0.27 -0.08 0.00 1.08 0.00 0.00 40.66 41.97 3a12 h LEU 132 CO -0.81 1.38 0.60 0.40 -1.08 0.00 0.00 178.44 178.93 3a12 h ILE 133 N 0.54 0.81 -0.00 1.22 1.08 -0.80 -0.58 117.51 119.78 3a12 h ILE 133 Ca -0.04 -0.27 0.00 0.00 -0.39 0.00 0.00 64.86 64.16 3a12 h ILE 133 Cb 1.37 -0.03 0.00 0.00 -3.07 0.00 0.00 36.82 35.09 3a12 h ILE 133 CO 0.15 0.14 -0.01 0.54 -0.69 0.00 0.00 178.15 178.28 3a12 n ARG 134 N -4.62 0.45 0.00 2.37 1.74 -0.29 -2.31 116.66 114.00 3a12 n ARG 134 Ca 0.19 -0.02 0.15 0.00 -0.77 0.00 0.00 57.85 57.41 3a12 n ARG 134 Cb 0.48 -1.50 0.80 0.00 -1.02 0.00 0.00 32.46 31.22 3a12 n ARG 134 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3a12 n GLU 135 N -1.26 0.56 -4.28 5.56 1.02 -0.23 -4.84 120.64 117.18 3a12 n GLU 135 Ca 0.14 -0.01 -0.23 0.00 -0.02 0.00 0.00 57.16 57.04 3a12 n GLU 135 Cb 0.24 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.09 3a12 n GLU 135 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 3a12 s PHE 136 N -2.44 2.66 -0.09 -0.32 0.08 -0.98 -4.92 117.98 111.97 3a12 s PHE 136 Ca 0.33 -0.28 0.16 0.00 0.12 0.00 0.00 56.93 57.26 3a12 s PHE 136 Cb 0.21 -1.30 -0.24 0.00 -0.57 0.00 0.00 43.02 41.11 3a12 s PHE 136 CO 0.44 0.56 0.24 -0.25 -0.10 0.00 0.00 175.22 176.11 3a12 n ASP 137 N -0.93 0.93 -0.50 1.36 8.00 -1.25 -5.00 116.55 119.15 3a12 n ASP 137 Ca -0.05 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.47 3a12 n ASP 137 Cb 0.60 1.41 -0.01 0.00 -0.02 0.00 0.00 41.12 43.10 3a12 n ASP 137 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3a12 n GLY 138 N 1.71 -1.72 3.78 0.44 0.00 -0.37 -4.72 105.19 104.30 3a12 n GLY 138 Ca -0.14 -1.27 -0.41 0.00 0.00 0.00 0.00 46.02 44.20 3a12 n GLY 138 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3a12 s PRO 139 N -0.42 4.11 0.16 1.61 0.02 -1.24 -4.18 135.00 135.06 3a12 s PRO 139 Ca 0.00 2.57 0.09 0.00 0.02 0.00 0.00 61.00 63.67 3a12 s PRO 139 Cb 0.00 -2.97 -0.12 0.00 0.02 0.00 0.00 34.50 31.43 3a12 s PRO 139 CO 0.00 -0.53 1.33 0.00 -0.33 0.00 0.00 177.00 177.47 3a12 h ALA 140 N 3.04 0.45 0.00 -1.55 0.00 -1.88 -3.41 119.26 115.91 3a12 h ALA 140 Ca -0.51 -0.81 -0.15 0.00 0.00 0.00 0.00 54.91 53.44 3a12 h ALA 140 Cb 1.24 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 3a12 h ALA 140 CO 0.64 1.12 -1.32 1.19 0.00 0.00 0.00 179.25 180.89 3a12 n PHE 141 N -3.37 0.00 -3.58 0.00 3.72 -1.26 -4.94 117.46 108.04 3a12 n PHE 141 Ca 0.00 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.45 3a12 n PHE 141 Cb 0.88 -0.43 -0.01 0.00 -0.94 0.00 0.00 39.48 38.98 3a12 n PHE 141 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3a12 n GLY 142 N 2.20 -1.47 0.24 1.37 0.00 -1.26 -0.98 105.19 105.30 3a12 n GLY 142 Ca -0.21 -1.15 -0.01 0.00 0.00 0.00 0.00 46.02 44.66 3a12 n GLY 142 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3a12 h ILE 143 N -0.32 0.85 -0.19 -0.61 2.04 -0.89 -1.98 117.51 116.40 3a12 h ILE 143 Ca 0.01 -0.17 -0.00 0.00 1.00 0.00 0.00 64.86 65.69 3a12 h ILE 143 Cb 0.32 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 3a12 h ILE 143 CO 0.00 0.09 0.10 -0.08 0.00 0.00 0.00 178.15 178.27 3a12 h GLU 144 N 0.50 0.27 -0.59 2.37 4.81 -1.83 -1.15 114.58 118.96 3a12 h GLU 144 Ca 0.30 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.47 3a12 h GLU 144 Cb 0.31 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.61 3a12 h GLU 144 CO -0.25 0.27 0.24 0.78 -0.73 0.00 0.00 179.01 179.32 3a12 h GLY 145 N 0.21 0.94 0.89 1.92 0.00 -0.83 -1.81 103.07 104.38 3a12 h GLY 145 Ca 0.07 -0.50 -0.05 0.00 0.00 0.00 0.00 47.33 46.85 3a12 h GLY 145 CO -0.01 0.47 -0.01 -2.08 0.00 0.00 0.00 176.54 174.92 3a12 h VAL 146 N 0.81 1.26 -1.00 4.60 2.07 -1.29 0.86 116.25 123.56 3a12 h VAL 146 Ca 0.20 -0.96 0.03 0.00 0.82 0.00 0.00 66.70 66.78 3a12 h VAL 146 Cb 0.19 1.28 -0.05 0.00 -1.52 0.00 0.00 31.29 31.18 3a12 h VAL 146 CO -0.02 0.31 0.66 0.03 0.02 0.00 0.00 177.57 178.57 3a12 h ARG 147 N 0.34 1.27 0.08 1.57 3.08 -1.17 -0.77 114.38 118.77 3a12 h ARG 147 Ca 0.09 -0.08 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 3a12 h ARG 147 Cb 0.45 -0.29 0.00 0.00 0.08 0.00 0.00 29.97 30.22 3a12 h ARG 147 CO 0.02 0.84 -0.04 -0.22 -1.07 0.00 0.00 179.97 179.50 3a12 h LYS 148 N 1.30 -0.10 -0.94 0.04 3.64 -1.19 0.51 116.57 119.84 3a12 h LYS 148 Ca 0.38 0.01 0.15 0.00 -1.27 0.00 0.00 60.65 59.92 3a12 h LYS 148 Cb -0.07 0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 31.70 3a12 h LYS 148 CO -0.11 0.07 0.60 1.98 -2.27 0.00 0.00 179.45 179.72 3a12 h MET 149 N -0.25 0.74 -0.01 1.90 4.05 -0.37 -2.32 114.93 118.67 3a12 h MET 149 Ca -0.01 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.36 3a12 h MET 149 Cb 0.21 -0.17 0.00 0.00 -0.80 0.00 0.00 31.60 30.84 3a12 h MET 149 CO 0.02 0.49 -0.68 1.28 0.23 0.00 0.00 176.91 178.24 3a12 n LEU 150 N -4.60 1.60 -3.66 3.39 4.77 -0.34 -4.90 117.00 113.26 3a12 n LEU 150 Ca 0.19 -0.64 -0.21 0.00 -0.03 0.00 0.00 56.01 55.32 3a12 n LEU 150 Cb 0.47 -0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.60 3a12 n LEU 150 CO 0.28 0.32 -0.04 -0.62 -1.33 0.00 0.00 177.39 176.00 3a12 n GLU 151 N -0.63 -5.08 -3.94 3.23 1.02 0.17 -4.34 120.64 111.06 3a12 n GLU 151 Ca 0.07 0.65 -0.31 0.00 -0.02 0.00 0.00 57.16 57.56 3a12 n GLU 151 Cb 0.41 -5.27 -0.15 0.00 -0.02 0.00 0.00 31.44 26.41 3a12 n GLU 151 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3a12 s ILE 152 N -3.63 1.63 -0.04 -3.67 1.01 -0.66 -4.98 121.20 110.86 3a12 s ILE 152 Ca 0.01 -1.41 -0.22 0.00 0.00 0.00 0.00 60.65 59.02 3a12 s ILE 152 Cb -0.00 -1.94 -0.28 0.00 0.01 0.00 0.00 42.46 40.25 3a12 s ILE 152 CO 0.80 -0.20 0.96 0.50 0.00 0.00 0.00 174.94 177.00 3a12 h LYS 153 N 7.91 0.30 0.00 2.79 3.64 -1.94 -3.44 116.57 125.83 3a12 h LYS 153 Ca -0.16 -0.42 0.00 0.00 -1.27 0.00 0.00 60.65 58.80 3a12 h LYS 153 Cb 1.06 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 3a12 h LYS 153 CO 0.43 1.15 -0.46 -0.25 -2.27 0.00 0.00 179.45 178.05 3a12 n ASP 154 N -4.22 1.76 -4.79 4.20 8.00 -1.26 -5.10 116.55 115.14 3a12 n ASP 154 Ca -0.12 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.07 3a12 n ASP 154 Cb 0.72 0.00 0.08 0.00 -0.02 0.00 0.00 41.12 41.91 3a12 n ASP 154 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3a12 s ARG 155 N -1.49 2.29 0.55 -1.24 1.70 -1.26 -4.60 118.95 114.89 3a12 s ARG 155 Ca 0.00 0.84 -0.21 0.00 -0.47 0.00 0.00 55.73 55.88 3a12 s ARG 155 Cb 0.00 -1.93 -0.05 0.00 -0.57 0.00 0.00 34.95 32.41 3a12 s ARG 155 CO 0.00 -1.53 1.34 -2.14 -1.08 0.00 0.00 175.30 171.89 3a12 s PRO 156 N -5.06 3.12 0.25 3.89 0.02 -1.16 -4.87 135.00 131.19 3a12 s PRO 156 Ca 0.60 2.18 -0.30 0.00 0.02 0.00 0.00 61.00 63.51 3a12 s PRO 156 Cb -0.15 -2.22 -0.09 0.00 0.02 0.00 0.00 34.50 32.06 3a12 s PRO 156 CO 0.55 -1.19 0.94 0.42 -0.33 0.00 0.00 177.00 177.39 3a12 s ILE 157 N -1.33 4.09 -0.04 2.83 1.01 -0.88 -4.92 121.20 121.95 3a12 s ILE 157 Ca 0.72 2.06 0.02 0.00 0.00 0.00 0.00 60.65 63.45 3a12 s ILE 157 Cb -0.39 -4.29 0.01 0.00 0.01 0.00 0.00 42.46 37.80 3a12 s ILE 157 CO 0.46 0.46 -0.10 -0.47 0.00 0.00 0.00 174.94 175.29 3a12 s TYR 158 N -1.23 1.09 0.32 3.97 5.04 -1.26 0.28 117.35 125.56 3a12 s TYR 158 Ca 0.42 -0.32 -0.09 0.00 -2.44 0.00 0.00 57.07 54.63 3a12 s TYR 158 Cb -0.25 -0.81 0.01 0.00 0.35 0.00 0.00 41.96 41.26 3a12 s TYR 158 CO 0.31 -0.17 0.55 0.20 -1.34 0.00 0.00 175.55 175.10 3a12 s GLY 159 N 0.45 0.89 -0.03 8.97 0.00 -0.78 0.24 107.32 117.06 3a12 s GLY 159 Ca -0.08 -1.11 0.01 0.00 0.00 0.00 0.00 44.72 43.54 3a12 s GLY 159 CO 0.01 -0.70 -0.04 0.14 0.00 0.00 0.00 173.10 172.51 3a12 s VAL 160 N -3.25 0.43 -0.31 1.40 1.01 -0.34 -2.20 120.40 117.15 3a12 s VAL 160 Ca 0.24 -0.11 -0.13 0.00 0.00 0.00 0.00 61.98 61.98 3a12 s VAL 160 Cb -0.02 -0.45 -0.03 0.00 0.00 0.00 0.00 36.38 35.88 3a12 s VAL 160 CO 0.14 0.18 0.25 -0.69 0.00 0.00 0.00 175.10 174.99 3a12 s VAL 161 N 0.63 5.27 0.30 2.92 1.01 -1.26 -4.36 120.40 124.91 3a12 s VAL 161 Ca -0.08 0.07 -0.29 0.00 0.00 0.00 0.00 61.98 61.69 3a12 s VAL 161 Cb -0.11 -3.65 -0.13 0.00 0.00 0.00 0.00 36.38 32.49 3a12 s VAL 161 CO -0.00 0.10 1.24 -2.65 0.00 0.00 0.00 175.10 173.80 3a12 n PRO 162 N 5.16 1.90 -4.67 2.72 -0.02 -1.26 -4.46 135.00 134.37 3a12 n PRO 162 Ca -0.12 0.67 -0.23 0.00 -2.02 0.00 0.00 63.50 61.80 3a12 n PRO 162 Cb 0.51 -2.21 -0.15 0.00 -0.02 0.00 0.00 33.50 31.62 3a12 n PRO 162 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3a12 s LYS 163 N -1.46 1.24 0.65 -0.52 -0.14 -1.26 -4.09 119.74 114.15 3a12 s LYS 163 Ca 0.59 -0.51 -0.18 0.00 -1.36 0.00 0.00 55.97 54.52 3a12 s LYS 163 Cb -0.62 -1.17 -0.01 0.00 -1.68 0.00 0.00 37.83 34.34 3a12 s LYS 163 CO 0.59 0.28 1.27 -1.25 -0.76 0.00 0.00 175.35 175.48 3a12 s PRO 164 N -0.22 2.56 0.24 -1.68 0.04 -1.26 -5.04 135.00 129.64 3a12 s PRO 164 Ca 0.03 1.99 -0.05 0.00 0.04 0.00 0.00 61.00 63.01 3a12 s PRO 164 Cb -0.07 -1.86 0.43 0.00 0.04 0.00 0.00 34.50 33.05 3a12 s PRO 164 CO -0.00 -1.57 1.73 0.87 0.04 0.00 0.00 177.00 178.06 3a12 h LYS 165 N 0.48 0.40 -4.30 4.56 1.57 -1.97 -3.43 116.57 113.89 3a12 h LYS 165 Ca -0.50 -0.02 -0.18 0.00 -1.87 0.00 0.00 60.65 58.08 3a12 h LYS 165 Cb 1.33 -0.09 -0.14 0.00 0.08 0.00 0.00 32.23 33.41 3a12 h LYS 165 CO 0.53 0.27 -0.51 0.14 -0.57 0.00 0.00 179.45 179.30 3a12 s VAL 166 N -6.03 0.04 0.00 0.50 -7.23 -1.26 -4.65 120.40 101.77 3a12 s VAL 166 Ca -0.13 -1.79 0.00 0.00 -1.81 0.00 0.00 61.98 58.26 3a12 s VAL 166 Cb 0.20 -2.20 0.00 0.00 0.56 0.00 0.00 36.38 34.94 3a12 s VAL 166 CO 0.76 -0.20 0.00 0.61 -0.31 0.00 0.00 175.10 175.96 3a12 n GLY 167 N -0.22 1.15 3.55 2.32 0.00 -1.26 -5.11 105.19 105.62 3a12 n GLY 167 Ca -0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 3a12 n GLY 167 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3a12 s TYR 168 N -2.00 2.59 0.45 1.61 -0.85 -1.26 -5.08 117.35 112.81 3a12 s TYR 168 Ca 0.00 -0.24 0.01 0.00 -0.52 0.00 0.00 57.07 56.32 3a12 s TYR 168 Cb 0.00 -1.27 0.00 0.00 0.38 0.00 0.00 41.96 41.07 3a12 s TYR 168 CO 0.00 0.51 0.67 -1.54 -1.52 0.00 0.00 175.55 173.67 3a12 s SER 169 N -2.81 5.77 0.43 -0.18 1.04 -1.26 -4.58 113.70 112.11 3a12 s SER 169 Ca 0.24 0.19 0.13 0.00 0.48 0.00 0.00 55.95 56.99 3a12 s SER 169 Cb -0.09 -1.40 0.95 0.00 0.10 0.00 0.00 66.02 65.58 3a12 s SER 169 CO 0.14 -0.74 1.99 -0.65 0.98 0.00 0.00 173.24 174.96 3a12 h PRO 170 N 0.40 0.11 -0.26 4.02 0.11 -1.96 -0.72 132.00 133.70 3a12 h PRO 170 Ca -0.45 -0.02 -0.17 0.00 0.11 0.00 0.00 66.00 65.47 3a12 h PRO 170 Cb 1.26 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3a12 h PRO 170 CO 0.56 0.24 -0.48 0.93 -0.21 0.00 0.00 178.00 179.03 3a12 h GLU 171 N 0.11 0.79 -0.59 1.05 3.07 -1.94 -0.35 114.58 116.72 3a12 h GLU 171 Ca 0.02 -0.50 -0.02 0.00 -0.50 0.00 0.00 59.36 58.36 3a12 h GLU 171 Cb 0.29 0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 28.23 3a12 h GLU 171 CO 0.02 1.13 0.29 0.93 -1.40 0.00 0.00 179.01 179.98 3a12 h GLU 172 N 0.55 0.85 -0.71 2.33 5.08 -1.89 -3.02 114.58 117.76 3a12 h GLU 172 Ca 0.01 -0.12 0.03 0.00 -1.00 0.00 0.00 59.36 58.28 3a12 h GLU 172 Cb 1.09 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 30.14 3a12 h GLU 172 CO 0.11 0.68 0.44 0.35 -1.00 0.00 0.00 179.01 179.59 3a12 h PHE 173 N 0.80 0.83 -0.42 4.33 3.57 -1.03 -2.83 116.94 122.19 3a12 h PHE 173 Ca 0.20 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.81 3a12 h PHE 173 Cb 0.11 -0.27 -0.07 0.00 2.79 0.00 0.00 35.95 38.50 3a12 h PHE 173 CO -0.00 0.47 -0.05 1.49 -2.23 0.00 0.00 178.31 177.99 3a12 h GLU 174 N 0.87 0.05 -0.46 1.11 4.81 -0.92 0.16 114.58 120.19 3a12 h GLU 174 Ca 0.28 -0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.45 3a12 h GLU 174 Cb 0.02 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 3a12 h GLU 174 CO -0.11 0.03 0.04 -0.22 -0.73 0.00 0.00 179.01 178.03 3a12 h LYS 175 N 0.05 0.79 -0.34 1.92 3.64 -1.55 -2.24 116.57 118.84 3a12 h LYS 175 Ca 0.20 -0.23 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 3a12 h LYS 175 Cb 0.30 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 3a12 h LYS 175 CO -0.38 0.82 0.18 1.25 -2.27 0.00 0.00 179.45 179.05 3a12 h LEU 176 N 0.65 0.43 -1.01 5.20 5.85 -1.17 -2.26 115.31 122.99 3a12 h LEU 176 Ca 0.14 -0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.71 3a12 h LEU 176 Cb 0.44 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 3a12 h LEU 176 CO 0.02 0.40 0.12 0.00 -0.34 0.00 0.00 178.44 178.63 3a12 h ALA 177 N 1.05 1.20 -0.14 1.25 0.00 -0.62 0.06 119.26 122.05 3a12 h ALA 177 Ca 0.12 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3a12 h ALA 177 Cb 0.07 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3a12 h ALA 177 CO -0.02 0.55 0.04 -0.92 0.00 0.00 0.00 179.25 178.90 3a12 h TYR 178 N 0.80 0.23 -0.50 0.00 3.20 -1.23 -1.95 116.97 117.54 3a12 h TYR 178 Ca 0.18 -0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.97 3a12 h TYR 178 Cb 0.31 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.49 3a12 h TYR 178 CO 0.02 0.36 0.11 -0.44 -1.64 0.00 0.00 178.16 176.57 3a12 h ASP 179 N 0.03 0.76 0.16 -2.11 3.32 -1.06 -1.54 116.42 115.98 3a12 h ASP 179 Ca 0.04 -0.24 -0.01 0.00 0.02 0.00 0.00 57.03 56.85 3a12 h ASP 179 Cb 0.25 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.60 3a12 h ASP 179 CO -0.00 0.80 -0.07 -0.07 -1.72 0.00 0.00 179.24 178.18 3a12 h LEU 180 N 0.68 -0.18 -1.23 1.55 3.38 -0.98 -2.71 115.31 115.82 3a12 h LEU 180 Ca 0.15 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 3a12 h LEU 180 Cb 0.34 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 3a12 h LEU 180 CO 0.00 0.03 -0.07 -0.07 0.09 0.00 0.00 178.44 178.42 3a12 h LEU 181 N -0.38 0.42 -1.68 1.67 3.38 -1.35 -1.78 115.31 115.59 3a12 h LEU 181 Ca -0.02 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 3a12 h LEU 181 Cb 0.30 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3a12 h LEU 181 CO 0.04 0.54 -0.18 0.28 0.09 0.00 0.00 178.44 179.20 3a12 h SER 182 N 0.42 0.00 -0.31 -0.43 0.02 -1.22 -3.25 113.55 108.78 3a12 h SER 182 Ca 0.09 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.01 3a12 h SER 182 Cb 0.39 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.91 3a12 h SER 182 CO 0.02 0.18 0.01 0.59 -1.14 0.00 0.00 176.83 176.49 3a12 n ASN 183 N -3.77 3.90 0.00 3.07 3.02 -0.71 -4.93 115.26 115.85 3a12 n ASN 183 Ca -0.02 -3.09 0.00 0.00 -0.03 0.00 0.00 54.58 51.44 3a12 n ASN 183 Cb 0.29 -0.57 0.00 0.00 -0.61 0.00 0.00 39.78 38.89 3a12 n ASN 183 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3a12 n GLY 184 N -0.50 2.00 3.73 7.41 0.00 -1.17 -3.18 105.19 113.49 3a12 n GLY 184 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 3a12 n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a12 s ALA 185 N -1.93 3.68 -0.29 4.61 0.00 -0.98 -4.90 121.76 121.95 3a12 s ALA 185 Ca 0.00 1.31 0.20 0.00 0.00 0.00 0.00 51.96 53.47 3a12 s ALA 185 Cb 0.00 -3.58 0.14 0.00 0.00 0.00 0.00 23.12 19.68 3a12 s ALA 185 CO 0.00 -0.73 1.34 -0.44 0.00 0.00 0.00 175.76 175.93 3a12 h ASP 186 N 6.03 0.00 -5.02 0.00 3.32 -0.55 -3.40 116.42 116.80 3a12 h ASP 186 Ca -0.44 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.56 3a12 h ASP 186 Cb 1.21 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.61 3a12 h ASP 186 CO 0.85 0.19 0.08 -0.72 -1.72 0.00 0.00 179.24 177.92 3a12 s TYR 187 N -3.15 -0.45 0.00 4.55 -0.85 -1.21 -2.18 117.35 114.05 3a12 s TYR 187 Ca 0.03 0.44 0.00 0.00 -0.52 0.00 0.00 57.07 57.02 3a12 s TYR 187 Cb 0.07 0.39 0.00 0.00 0.38 0.00 0.00 41.96 42.80 3a12 s TYR 187 CO 0.73 -0.70 0.00 -1.33 -1.52 0.00 0.00 175.55 172.74 3a12 n MET 188 N 0.20 1.55 -5.25 -3.49 2.81 -1.03 -1.20 117.12 110.71 3a12 n MET 188 Ca -0.18 0.00 -0.31 0.00 -1.81 0.00 0.00 57.70 55.40 3a12 n MET 188 Cb 0.61 0.00 -0.16 0.00 -0.71 0.00 0.00 33.22 32.97 3a12 n MET 188 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3a12 s ASP 190 N -0.93 3.16 0.66 7.83 1.01 -0.73 -0.70 116.67 126.97 3a12 s ASP 190 Ca 0.00 -0.45 -0.17 0.00 0.71 0.00 0.00 52.55 52.64 3a12 s ASP 190 Cb 0.00 -0.53 -0.00 0.00 1.01 0.00 0.00 42.92 43.40 3a12 s ASP 190 CO 0.00 0.30 1.22 -0.62 0.21 0.00 0.00 175.17 176.28 3a12 s ASP 191 N -0.50 4.72 0.63 0.27 -1.08 -1.26 -4.84 116.67 114.60 3a12 s ASP 191 Ca 0.07 2.40 0.35 0.00 -0.52 0.00 0.00 52.55 54.85 3a12 s ASP 191 Cb -0.11 -2.60 2.00 0.00 -1.46 0.00 0.00 42.92 40.75 3a12 s ASP 191 CO 0.00 -1.91 2.24 1.05 0.52 0.00 0.00 175.17 177.07 3a12 h GLU 192 N 0.35 0.00 -0.12 4.34 9.09 -2.00 -1.07 114.58 125.17 3a12 h GLU 192 Ca -0.49 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.92 3a12 h GLU 192 Cb 1.30 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.40 3a12 h GLU 192 CO 0.53 0.00 0.00 0.27 0.05 0.00 0.00 179.01 179.86 3a12 n ASN 193 N -3.48 3.08 -4.59 3.06 6.94 -1.26 -4.85 115.26 114.17 3a12 n ASN 193 Ca -0.02 -1.98 -0.42 0.00 -0.02 0.00 0.00 54.58 52.14 3a12 n ASN 193 Cb 0.16 -0.06 -0.05 0.00 -2.36 0.00 0.00 39.78 37.47 3a12 n ASN 193 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 3a12 s LEU 194 N -1.82 4.08 0.00 -4.53 2.96 -0.41 -4.94 118.68 114.02 3a12 s LEU 194 Ca 0.30 0.39 0.00 0.00 -0.22 0.00 0.00 54.13 54.61 3a12 s LEU 194 Cb 0.20 -3.12 0.00 0.00 0.50 0.00 0.00 46.19 43.77 3a12 s LEU 194 CO 0.30 -0.81 0.00 0.35 -1.32 0.00 0.00 176.35 174.87 3a12 n THR 195 N 5.92 0.00 -3.10 3.68 -2.24 -1.26 -4.72 114.28 112.56 3a12 n THR 195 Ca 0.05 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.64 3a12 n THR 195 Cb 0.48 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.69 3a12 n THR 195 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3a12 n SER 196 N 0.00 1.52 -4.90 3.42 2.88 -1.26 -4.07 113.62 111.21 3a12 n SER 196 Ca 0.00 -3.11 -0.29 0.00 -1.33 0.00 0.00 58.87 54.14 3a12 n SER 196 Cb 0.00 -0.60 0.09 0.00 -0.75 0.00 0.00 64.21 62.95 3a12 n SER 196 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 3a12 s PRO 197 N -2.67 1.97 0.44 -1.46 0.04 -1.24 -4.73 135.00 127.35 3a12 s PRO 197 Ca 0.41 0.09 0.20 0.00 0.04 0.00 0.00 61.00 61.74 3a12 s PRO 197 Cb 0.35 -1.96 1.15 0.00 0.04 0.00 0.00 34.50 34.08 3a12 s PRO 197 CO -0.08 -1.59 1.87 0.11 0.04 0.00 0.00 177.00 177.35 3a12 h TRP 198 N -1.04 0.45 -0.00 0.56 5.08 -2.01 -1.51 115.95 117.47 3a12 h TRP 198 Ca -0.46 0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.52 3a12 h TRP 198 Cb 1.33 -0.14 0.00 0.00 -3.00 0.00 0.00 29.16 27.35 3a12 h TRP 198 CO 0.31 0.12 -0.31 2.48 -1.28 0.00 0.00 178.44 179.76 3a12 n TYR 199 N -4.47 0.00 -2.83 0.12 0.18 -1.26 -4.53 117.16 104.36 3a12 n TYR 199 Ca 0.19 0.00 -0.03 0.00 1.88 0.00 0.00 57.90 59.94 3a12 n TYR 199 Cb 0.72 -0.27 0.01 0.00 -0.38 0.00 0.00 39.34 39.42 3a12 n TYR 199 CO 0.00 0.00 0.00 1.21 -2.08 0.00 0.00 176.86 175.99 3a12 s ASN 200 N -2.84 -1.40 0.25 9.48 3.84 -0.58 -4.13 114.94 119.56 3a12 s ASN 200 Ca 0.16 -1.50 -0.30 0.00 0.21 0.00 0.00 52.86 51.44 3a12 s ASN 200 Cb 0.18 1.83 -0.09 0.00 -0.55 0.00 0.00 41.25 42.62 3a12 s ASN 200 CO 0.61 -0.07 1.24 -0.13 -2.79 0.00 0.00 177.10 175.95 3a12 s ARG 201 N 1.05 4.46 0.15 0.43 1.81 -1.16 -3.64 118.95 122.06 3a12 s ARG 201 Ca 0.27 2.00 -0.22 0.00 -1.72 0.00 0.00 55.73 56.07 3a12 s ARG 201 Cb -0.00 -3.17 0.02 0.00 -0.45 0.00 0.00 34.95 31.35 3a12 s ARG 201 CO -0.06 -0.09 1.64 0.35 -0.68 0.00 0.00 175.30 176.47 3a12 h PHE 202 N 4.43 -0.52 -0.44 -0.53 3.57 -1.85 -1.68 116.94 119.92 3a12 h PHE 202 Ca -0.46 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.07 3a12 h PHE 202 Cb 1.22 0.26 -0.02 0.00 2.79 0.00 0.00 35.95 40.20 3a12 h PHE 202 CO 0.60 -0.28 0.26 1.49 -2.23 0.00 0.00 178.31 178.15 3a12 h GLU 203 N -0.20 0.58 -0.17 1.11 4.81 -1.94 -0.00 114.58 118.77 3a12 h GLU 203 Ca 0.13 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.25 3a12 h GLU 203 Cb 0.40 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.65 3a12 h GLU 203 CO -0.35 0.41 -0.16 0.93 -0.73 0.00 0.00 179.01 179.11 3a12 h GLU 204 N 0.60 0.40 0.00 1.92 5.08 -1.77 -1.75 114.58 119.06 3a12 h GLU 204 Ca 0.16 -0.21 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 3a12 h GLU 204 Cb -0.02 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 3a12 h GLU 204 CO -0.03 0.77 -0.28 0.07 -1.00 0.00 0.00 179.01 178.53 3a12 h ARG 205 N 0.05 0.00 -0.43 2.33 0.11 -1.05 -2.17 114.38 113.22 3a12 h ARG 205 Ca 0.03 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 60.05 3a12 h ARG 205 Cb 0.69 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.75 3a12 h ARG 205 CO 0.04 0.28 0.06 0.00 0.10 0.00 0.00 179.97 180.45 3a12 h ALA 206 N 1.72 0.57 -0.46 0.08 0.00 -0.91 0.16 119.26 120.42 3a12 h ALA 206 Ca -0.00 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 3a12 h ALA 206 Cb 0.86 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 3a12 h ALA 206 CO 0.04 0.30 0.28 1.49 0.00 0.00 0.00 179.25 181.36 3a12 h GLU 207 N 0.57 0.61 -0.80 0.00 4.57 -1.08 -1.32 114.58 117.13 3a12 h GLU 207 Ca 0.13 -0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 58.21 3a12 h GLU 207 Cb 0.40 -0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 28.82 3a12 h GLU 207 CO 0.01 0.44 0.33 0.82 -1.18 0.00 0.00 179.01 179.43 3a12 h ILE 208 N 0.61 1.26 -0.09 2.32 2.04 -1.20 -2.79 117.51 119.66 3a12 h ILE 208 Ca 0.16 -0.81 -0.20 0.00 1.00 0.00 0.00 64.86 65.02 3a12 h ILE 208 Cb -0.02 0.30 -0.00 0.00 -0.74 0.00 0.00 36.82 36.36 3a12 h ILE 208 CO -0.03 0.33 -0.75 0.24 0.00 0.00 0.00 178.15 177.94 3a12 h MET 209 N 1.15 0.51 -0.36 2.37 2.86 -0.74 -1.30 114.93 119.42 3a12 h MET 209 Ca 0.27 -0.42 0.05 0.00 -2.06 0.00 0.00 59.70 57.53 3a12 h MET 209 Cb 0.20 0.09 -0.04 0.00 0.06 0.00 0.00 31.60 31.91 3a12 h MET 209 CO -0.02 1.05 0.09 0.00 1.06 0.00 0.00 176.91 179.09 3a12 h ALA 210 N 0.83 0.40 -0.52 6.32 0.00 -1.18 0.13 119.26 125.24 3a12 h ALA 210 Ca -0.04 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 3a12 h ALA 210 Cb 1.35 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.18 3a12 h ALA 210 CO 0.14 -0.31 -0.00 1.57 0.00 0.00 0.00 179.25 180.65 3a12 h LYS 211 N 0.23 0.87 0.10 0.00 2.10 -1.39 -2.55 116.57 115.93 3a12 h LYS 211 Ca 0.17 -0.25 -0.23 0.00 -2.00 0.00 0.00 60.65 58.34 3a12 h LYS 211 Cb 0.17 -0.09 0.02 0.00 -0.90 0.00 0.00 32.23 31.43 3a12 h LYS 211 CO -0.20 0.87 -0.98 0.82 -2.00 0.00 0.00 179.45 177.96 3a12 h ILE 212 N 0.81 1.38 -0.12 0.07 2.04 -0.99 -2.35 117.51 118.34 3a12 h ILE 212 Ca 0.15 -2.39 0.04 0.00 1.00 0.00 0.00 64.86 63.67 3a12 h ILE 212 Cb 0.48 2.81 -0.05 0.00 -0.74 0.00 0.00 36.82 39.33 3a12 h ILE 212 CO 0.02 0.71 -0.20 0.40 0.00 0.00 0.00 178.15 179.08 3a12 h ILE 213 N 0.00 0.51 -0.81 -0.67 2.04 -0.78 -0.01 117.51 117.79 3a12 h ILE 213 Ca -0.15 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.83 3a12 h ILE 213 Cb 1.70 0.51 -0.08 0.00 -0.74 0.00 0.00 36.82 38.20 3a12 h ILE 213 CO 0.19 0.00 0.42 0.44 0.00 0.00 0.00 178.15 179.19 3a12 h ASP 214 N -0.25 0.53 -0.25 1.72 3.32 -1.48 0.26 116.42 120.27 3a12 h ASP 214 Ca 0.10 0.07 -0.10 0.00 0.02 0.00 0.00 57.03 57.12 3a12 h ASP 214 Cb 0.39 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 39.92 3a12 h ASP 214 CO -0.27 0.26 -0.24 0.50 -1.72 0.00 0.00 179.24 177.77 3a12 h LYS 215 N 0.65 0.60 -0.24 3.56 3.64 -0.90 -0.82 116.57 123.05 3a12 h LYS 215 Ca 0.42 -0.32 -0.19 0.00 -1.27 0.00 0.00 60.65 59.29 3a12 h LYS 215 Cb 0.51 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 3a12 h LYS 215 CO -0.32 0.91 -0.60 0.28 -2.27 0.00 0.00 179.45 177.46 3a12 h VAL 216 N 0.32 1.28 -0.55 2.00 2.07 -0.74 0.02 116.25 120.65 3a12 h VAL 216 Ca 0.04 -1.80 0.02 0.00 0.82 0.00 0.00 66.70 65.78 3a12 h VAL 216 Cb 0.80 1.73 -0.03 0.00 -1.52 0.00 0.00 31.29 32.27 3a12 h VAL 216 CO 0.06 0.58 0.34 -0.33 0.02 0.00 0.00 177.57 178.24 3a12 h GLU 217 N 0.61 0.67 0.08 1.57 5.08 -0.94 0.29 114.58 121.93 3a12 h GLU 217 Ca -0.00 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.33 3a12 h GLU 217 Cb 1.20 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.29 3a12 h GLU 217 CO 0.13 0.44 -0.12 -0.97 -1.00 0.00 0.00 179.01 177.49 3a12 h ASN 218 N 0.69 -0.33 1.48 1.42 -0.00 -0.99 -0.72 115.58 117.13 3a12 h ASN 218 Ca 0.21 0.04 0.00 0.00 -0.00 0.00 0.00 56.30 56.55 3a12 h ASN 218 Cb -0.01 0.13 0.00 0.00 -0.00 0.00 0.00 38.32 38.43 3a12 h ASN 218 CO -0.08 -0.18 0.00 -0.33 -0.00 0.00 0.00 177.43 176.84 3a12 h GLU 219 N -0.25 0.00 0.00 6.67 5.08 -0.62 -3.33 114.58 122.13 3a12 h GLU 219 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3a12 h GLU 219 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 3a12 h GLU 219 CO -0.06 0.00 -0.25 0.25 -1.00 0.00 0.00 179.01 177.94 3a12 n THR 220 N -2.90 0.00 -0.65 1.13 -2.24 0.06 -4.98 114.28 104.70 3a12 n THR 220 Ca 0.03 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 3a12 n THR 220 Cb 0.41 0.86 0.00 0.00 -2.10 0.00 0.00 70.33 69.50 3a12 n THR 220 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3a12 n GLY 221 N 1.34 0.21 3.84 3.38 0.00 -0.28 -4.98 105.19 108.70 3a12 n GLY 221 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 3a12 n GLY 221 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3a12 s GLU 222 N -0.86 4.04 0.01 1.61 2.02 -1.26 -5.04 118.70 119.22 3a12 s GLU 222 Ca 0.00 0.69 -0.20 0.00 0.02 0.00 0.00 54.97 55.48 3a12 s GLU 222 Cb 0.00 -2.52 -0.06 0.00 0.10 0.00 0.00 34.13 31.65 3a12 s GLU 222 CO 0.00 0.21 0.58 0.15 0.02 0.00 0.00 175.26 176.21 3a12 s LYS 223 N -2.79 4.28 0.19 1.61 -0.14 -1.26 -4.15 119.74 117.48 3a12 s LYS 223 Ca 0.52 0.71 0.07 0.00 -1.36 0.00 0.00 55.97 55.91 3a12 s LYS 223 Cb -0.11 -3.32 -0.05 0.00 -1.68 0.00 0.00 37.83 32.67 3a12 s LYS 223 CO 0.18 0.43 -0.14 0.15 -0.76 0.00 0.00 175.35 175.21 3a12 s LYS 224 N -0.39 1.28 0.35 1.68 -0.14 -1.26 -4.90 119.74 116.35 3a12 s LYS 224 Ca 0.30 -1.53 -0.04 0.00 -1.36 0.00 0.00 55.97 53.34 3a12 s LYS 224 Cb -0.18 -1.08 0.01 0.00 -1.68 0.00 0.00 37.83 34.89 3a12 s LYS 224 CO 0.17 0.18 0.52 -0.08 -0.76 0.00 0.00 175.35 175.38 3a12 s THR 225 N -2.85 0.00 -0.12 2.17 -1.32 -0.93 -5.01 115.64 107.58 3a12 s THR 225 Ca 0.20 -1.53 -0.04 0.00 -1.21 0.00 0.00 61.69 59.11 3a12 s THR 225 Cb -0.01 -2.68 0.06 0.00 -1.51 0.00 0.00 72.50 68.36 3a12 s THR 225 CO 0.06 0.00 0.22 0.86 -2.21 0.00 0.00 174.62 173.55 3a12 s TRP 226 N -2.93 -0.32 -0.83 9.09 -0.00 -1.26 -2.46 118.94 120.23 3a12 s TRP 226 Ca 0.29 0.76 -0.22 0.00 -0.00 0.00 0.00 56.10 56.92 3a12 s TRP 226 Cb -0.01 -0.16 0.08 0.00 -0.00 0.00 0.00 33.47 33.38 3a12 s TRP 226 CO 0.20 -0.35 1.18 -0.06 -0.00 0.00 0.00 176.95 177.91 3a12 s PHE 227 N 2.36 2.70 -0.28 5.86 0.08 0.12 -4.17 117.98 124.66 3a12 s PHE 227 Ca 0.03 -0.77 -0.21 0.00 0.12 0.00 0.00 56.93 56.10 3a12 s PHE 227 Cb -0.12 -4.44 -0.01 0.00 -0.57 0.00 0.00 43.02 37.87 3a12 s PHE 227 CO -0.08 -1.75 0.64 0.00 -0.10 0.00 0.00 175.22 173.94 3a12 s ALA 228 N 4.17 3.58 -0.60 5.36 0.00 -1.25 -1.77 121.76 131.24 3a12 s ALA 228 Ca 0.33 -0.50 -0.28 0.00 0.00 0.00 0.00 51.96 51.51 3a12 s ALA 228 Cb -0.08 -3.08 0.02 0.00 0.00 0.00 0.00 23.12 19.98 3a12 s ALA 228 CO 0.01 -0.93 1.39 1.21 0.00 0.00 0.00 175.76 177.43 3a12 s ASN 229 N 1.54 6.12 0.00 0.00 2.47 -1.26 -0.01 114.94 123.80 3a12 s ASN 229 Ca 0.26 0.13 0.27 0.00 0.42 0.00 0.00 52.86 53.95 3a12 s ASN 229 Cb -0.15 -2.55 0.82 0.00 -1.45 0.00 0.00 41.25 37.93 3a12 s ASN 229 CO 0.10 -1.74 1.61 2.30 -3.72 0.00 0.00 177.10 175.64 3a12 n ILE 230 N 6.77 0.00 -1.71 -5.21 -5.35 -0.64 -4.78 119.36 108.43 3a12 n ILE 230 Ca 0.11 -0.17 -0.59 0.00 -0.27 0.00 0.00 62.75 61.83 3a12 n ILE 230 Cb 0.49 0.46 -0.08 0.00 -1.74 0.00 0.00 39.64 38.77 3a12 n ILE 230 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 3a12 n THR 231 N -0.36 0.25 -3.94 7.28 -1.04 -1.26 -4.20 114.28 111.00 3a12 n THR 231 Ca 0.14 -0.05 0.01 0.00 -2.04 0.00 0.00 64.05 62.11 3a12 n THR 231 Cb 0.36 -1.11 0.01 0.00 -1.82 0.00 0.00 70.33 67.77 3a12 n THR 231 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3a12 n ALA 232 N 5.08 -2.93 -0.68 2.41 0.00 -1.26 -4.89 120.51 118.24 3a12 n ALA 232 Ca 0.27 -0.77 -0.31 0.00 0.00 0.00 0.00 53.44 52.63 3a12 n ALA 232 Cb 0.11 0.25 0.16 0.00 0.00 0.00 0.00 19.45 19.97 3a12 n ALA 232 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3a12 n ASP 233 N -1.04 -0.31 -0.05 0.00 8.00 -1.26 -4.64 116.55 117.25 3a12 n ASP 233 Ca 0.02 0.36 -0.08 0.00 0.71 0.00 0.00 54.79 55.80 3a12 n ASP 233 Cb 0.51 -1.40 -0.01 0.00 -0.02 0.00 0.00 41.12 40.19 3a12 n ASP 233 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3a12 h LEU 234 N -1.88 -0.64 -0.72 0.64 5.85 -1.99 -1.37 115.31 115.20 3a12 h LEU 234 Ca -0.44 0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.36 3a12 h LEU 234 Cb 1.28 0.31 -0.03 0.00 0.37 0.00 0.00 40.66 42.59 3a12 h LEU 234 CO 0.40 -0.24 0.30 -0.07 -0.34 0.00 0.00 178.44 178.50 3a12 h LEU 235 N -0.20 0.98 -0.74 2.25 3.38 -1.99 -0.82 115.31 118.17 3a12 h LEU 235 Ca 0.14 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 3a12 h LEU 235 Cb 0.40 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 3a12 h LEU 235 CO -0.36 0.87 0.38 -0.33 0.09 0.00 0.00 178.44 179.09 3a12 h GLU 236 N 1.02 1.05 -0.53 1.13 3.07 -1.80 -1.11 114.58 117.42 3a12 h GLU 236 Ca 0.24 -0.14 0.04 0.00 -0.50 0.00 0.00 59.36 59.01 3a12 h GLU 236 Cb 0.19 -0.20 -0.04 0.00 -0.84 0.00 0.00 28.75 27.85 3a12 h GLU 236 CO -0.02 0.81 0.28 0.52 -1.40 0.00 0.00 179.01 179.19 3a12 h MET 237 N 1.03 0.52 -0.44 2.33 2.86 -0.80 -0.91 114.93 119.52 3a12 h MET 237 Ca 0.26 -0.03 0.07 0.00 -2.06 0.00 0.00 59.70 57.94 3a12 h MET 237 Cb 0.08 -0.12 -0.06 0.00 0.06 0.00 0.00 31.60 31.56 3a12 h MET 237 CO -0.04 0.34 0.09 0.93 1.06 0.00 0.00 176.91 179.29 3a12 h GLU 238 N 0.53 0.21 -0.76 1.72 5.08 -0.59 -0.78 114.58 120.00 3a12 h GLU 238 Ca 0.23 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.53 3a12 h GLU 238 Cb 0.13 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 3a12 h GLU 238 CO -0.15 0.14 0.30 1.96 -1.00 0.00 0.00 179.01 180.25 3a12 h GLN 239 N 0.22 1.14 -0.35 2.33 4.20 -0.84 -2.46 115.11 119.34 3a12 h GLN 239 Ca 0.22 -0.20 -0.10 0.00 0.06 0.00 0.00 58.65 58.63 3a12 h GLN 239 Cb 0.27 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 3a12 h GLN 239 CO -0.29 0.92 -0.16 0.00 -0.67 0.00 0.00 178.83 178.64 3a12 h ARG 240 N 1.11 0.73 -1.00 1.46 3.08 -0.65 -0.71 114.38 118.39 3a12 h ARG 240 Ca 0.25 -0.31 0.10 0.00 0.07 0.00 0.00 59.98 60.09 3a12 h ARG 240 Cb 0.22 -0.02 -0.08 0.00 0.08 0.00 0.00 29.97 30.16 3a12 h ARG 240 CO -0.02 0.92 0.64 -0.07 -1.07 0.00 0.00 179.97 180.37 3a12 h LEU 241 N 0.51 0.98 -0.69 3.04 3.38 -1.08 -1.63 115.31 119.82 3a12 h LEU 241 Ca 0.08 0.03 -0.14 0.00 0.09 0.00 0.00 57.88 57.95 3a12 h LEU 241 Cb 0.69 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 3a12 h LEU 241 CO 0.05 0.56 -0.48 -0.08 0.09 0.00 0.00 178.44 178.58 3a12 h GLU 242 N 1.07 0.43 -0.71 1.13 4.81 -0.92 -1.39 114.58 119.00 3a12 h GLU 242 Ca 0.47 -0.24 -0.01 0.00 -0.13 0.00 0.00 59.36 59.45 3a12 h GLU 242 Cb 0.36 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.72 3a12 h GLU 242 CO -0.23 0.82 0.39 0.28 -0.73 0.00 0.00 179.01 179.55 3a12 h VAL 243 N 0.34 1.22 -0.28 0.32 2.07 -0.47 0.11 116.25 119.56 3a12 h VAL 243 Ca 0.02 -0.54 -0.02 0.00 0.82 0.00 0.00 66.70 66.98 3a12 h VAL 243 Cb 0.97 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 3a12 h VAL 243 CO 0.08 0.24 0.08 -0.07 0.02 0.00 0.00 177.57 177.93 3a12 h LEU 244 N 0.98 0.40 -0.38 2.57 3.38 -0.94 -2.42 115.31 118.91 3a12 h LEU 244 Ca 0.25 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 3a12 h LEU 244 Cb 0.03 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3a12 h LEU 244 CO -0.04 0.50 0.02 0.00 0.09 0.00 0.00 178.44 179.01 3a12 h ALA 245 N 0.92 0.51 -0.56 1.53 0.00 -1.15 -1.23 119.26 119.28 3a12 h ALA 245 Ca 0.09 -0.24 0.09 0.00 0.00 0.00 0.00 54.91 54.85 3a12 h ALA 245 Cb 0.25 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3a12 h ALA 245 CO -0.00 0.26 0.38 -0.44 0.00 0.00 0.00 179.25 179.45 3a12 h ASP 246 N 0.48 0.33 0.09 0.00 3.32 -0.89 -1.59 116.42 118.16 3a12 h ASP 246 Ca 0.11 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3a12 h ASP 246 Cb 0.44 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.93 3a12 h ASP 246 CO 0.02 0.20 -0.10 0.18 -1.72 0.00 0.00 179.24 177.81 3a12 n LEU 247 N -4.47 1.28 -0.46 1.55 4.77 -0.92 -4.93 117.00 113.82 3a12 n LEU 247 Ca 0.09 -0.39 -0.06 0.00 -0.03 0.00 0.00 56.01 55.62 3a12 n LEU 247 Cb 0.36 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.37 3a12 n LEU 247 CO 0.34 0.22 -0.06 0.61 -1.33 0.00 0.00 177.39 177.18 3a12 n GLY 248 N 1.24 0.83 3.67 -0.72 0.00 -0.60 -4.96 105.19 104.65 3a12 n GLY 248 Ca 0.16 -0.56 -0.29 0.00 0.00 0.00 0.00 46.02 45.33 3a12 n GLY 248 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a12 s LEU 249 N -1.36 1.69 -0.00 0.99 1.43 -0.49 -5.01 118.68 115.92 3a12 s LEU 249 Ca 0.00 1.31 0.01 0.00 -1.03 0.00 0.00 54.13 54.42 3a12 s LEU 249 Cb 0.00 -3.52 -0.01 0.00 0.03 0.00 0.00 46.19 42.68 3a12 s LEU 249 CO 0.00 -3.14 0.02 0.29 0.23 0.00 0.00 176.35 173.75 3a12 n LYS 250 N -4.19 1.27 -4.44 1.70 5.02 -1.26 -4.72 118.16 111.53 3a12 n LYS 250 Ca 0.05 -0.01 -0.23 0.00 -2.02 0.00 0.00 58.31 56.11 3a12 n LYS 250 Cb 0.56 -0.93 -0.13 0.00 -0.02 0.00 0.00 35.03 34.51 3a12 n LYS 250 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3a12 s HIS 251 N -1.88 1.53 -0.07 2.13 3.76 -1.26 -1.20 115.29 118.30 3a12 s HIS 251 Ca -0.00 -0.38 0.04 0.00 -0.15 0.00 0.00 55.06 54.57 3a12 s HIS 251 Cb 0.01 -0.90 0.00 0.00 1.11 0.00 0.00 32.58 32.80 3a12 s HIS 251 CO 0.04 0.08 -0.18 0.00 -0.85 0.00 0.00 174.74 173.83 3a12 s ALA 252 N -0.91 1.67 -0.14 -1.40 0.00 0.49 -3.96 121.76 117.52 3a12 s ALA 252 Ca 0.04 -0.71 -0.06 0.00 0.00 0.00 0.00 51.96 51.23 3a12 s ALA 252 Cb -0.09 -0.62 -0.04 0.00 0.00 0.00 0.00 23.12 22.37 3a12 s ALA 252 CO 0.02 0.24 0.08 1.41 0.00 0.00 0.00 175.76 177.51 3a12 s MET 253 N 0.29 3.57 -0.02 0.00 0.00 0.98 -0.48 119.30 123.65 3a12 s MET 253 Ca -0.11 -0.27 0.04 0.00 0.00 0.00 0.00 55.69 55.34 3a12 s MET 253 Cb -0.15 -3.12 -0.01 0.00 0.00 0.00 0.00 34.83 31.55 3a12 s MET 253 CO 0.05 0.56 -0.12 0.08 0.00 0.00 0.00 175.02 175.59 3a12 s VAL 254 N -0.43 0.98 -0.93 10.11 1.01 0.09 -1.62 120.40 129.61 3a12 s VAL 254 Ca 0.10 -0.51 -0.24 0.00 0.00 0.00 0.00 61.98 61.34 3a12 s VAL 254 Cb -0.12 -0.83 0.04 0.00 0.00 0.00 0.00 36.38 35.47 3a12 s VAL 254 CO 0.02 0.29 1.39 -1.81 0.00 0.00 0.00 175.10 174.98 3a12 s ASP 255 N -0.11 6.39 0.24 3.32 1.01 -1.26 -0.83 116.67 125.43 3a12 s ASP 255 Ca 0.01 -1.14 0.00 0.00 0.71 0.00 0.00 52.55 52.13 3a12 s ASP 255 Cb -0.07 -2.56 0.28 0.00 1.01 0.00 0.00 42.92 41.58 3a12 s ASP 255 CO 0.00 -1.61 1.64 -0.37 0.21 0.00 0.00 175.17 175.04 3a12 h VAL 256 N 6.54 1.29 -0.23 -1.27 -1.51 -1.51 0.11 116.25 119.67 3a12 h VAL 256 Ca 0.05 -1.46 -0.10 0.00 -1.23 0.00 0.00 66.70 63.95 3a12 h VAL 256 Cb 1.02 1.48 -0.00 0.00 -2.13 0.00 0.00 31.29 31.66 3a12 h VAL 256 CO 1.38 0.46 -0.26 0.58 -1.23 0.00 0.00 177.57 178.51 3a12 h VAL 257 N 0.45 1.32 -0.39 7.19 2.07 -1.79 -2.15 116.25 122.95 3a12 h VAL 257 Ca 0.05 -1.43 -0.05 0.00 0.82 0.00 0.00 66.70 66.08 3a12 h VAL 257 Cb 0.82 1.72 -0.01 0.00 -1.52 0.00 0.00 31.29 32.29 3a12 h VAL 257 CO 0.07 0.44 0.03 0.40 0.02 0.00 0.00 177.57 178.54 3a12 h ILE 258 N 0.27 1.25 -0.38 4.57 2.04 -1.67 -3.17 117.51 120.43 3a12 h ILE 258 Ca 0.03 -0.93 0.04 0.00 1.00 0.00 0.00 64.86 65.00 3a12 h ILE 258 Cb 0.82 1.09 -0.04 0.00 -0.74 0.00 0.00 36.82 37.95 3a12 h ILE 258 CO 0.06 0.31 0.16 0.74 0.00 0.00 0.00 178.15 179.43 3a12 h THR 259 N 0.50 0.94 0.00 -0.27 2.02 -0.74 -3.48 112.91 111.88 3a12 h THR 259 Ca 0.11 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3a12 h THR 259 Cb 0.42 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 67.40 3a12 h THR 259 CO 0.01 0.06 0.00 0.61 0.37 0.00 0.00 175.52 176.58 3a12 n GLY 260 N -1.22 1.74 0.18 2.16 0.00 -0.82 -4.65 105.19 102.59 3a12 n GLY 260 Ca 0.01 -1.96 0.06 0.00 0.00 0.00 0.00 46.02 44.13 3a12 n GLY 260 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3a12 h TRP 261 N 0.00 0.00 -0.20 1.61 4.06 -1.88 -3.03 115.95 116.51 3a12 h TRP 261 Ca 0.00 0.00 -0.07 0.00 2.06 0.00 0.00 58.89 60.88 3a12 h TRP 261 Cb 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.15 3a12 h TRP 261 CO 0.00 0.38 -0.18 0.78 -3.56 0.00 0.00 178.44 175.86 3a12 h GLY 262 N 2.39 0.36 0.00 1.49 0.00 -1.99 -3.28 103.07 102.04 3a12 h GLY 262 Ca -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.08 3a12 h GLY 262 CO 0.05 0.23 -0.46 0.00 0.00 0.00 0.00 176.54 176.36 3a12 n ALA 263 N -2.48 2.73 -0.24 3.60 0.00 -1.23 -4.77 120.51 118.10 3a12 n ALA 263 Ca -0.00 -0.17 -0.05 0.00 0.00 0.00 0.00 53.44 53.21 3a12 n ALA 263 Cb 0.33 -0.23 0.05 0.00 0.00 0.00 0.00 19.45 19.60 3a12 n ALA 263 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3a12 h LEU 264 N 0.00 0.78 -0.72 0.00 5.85 -1.59 -0.30 115.31 119.33 3a12 h LEU 264 Ca 0.00 -0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.61 3a12 h LEU 264 Cb 0.17 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 3a12 h LEU 264 CO 0.00 0.57 0.03 -0.09 -0.34 0.00 0.00 178.44 178.61 3a12 h ARG 265 N 0.92 1.01 -0.11 1.25 2.43 -1.86 -0.46 114.38 117.56 3a12 h ARG 265 Ca 0.25 -0.29 -0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3a12 h ARG 265 Cb -0.11 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.33 3a12 h ARG 265 CO -0.05 0.97 0.07 -0.92 -1.51 0.00 0.00 179.97 178.53 3a12 h TYR 266 N 0.93 0.15 -0.91 2.20 3.20 -1.62 -0.18 116.97 120.73 3a12 h TYR 266 Ca 0.17 0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.07 3a12 h TYR 266 Cb 0.50 -0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.67 3a12 h TYR 266 CO 0.03 0.13 0.59 0.82 -1.64 0.00 0.00 178.16 178.10 3a12 h ILE 267 N 0.12 1.18 -0.52 1.81 1.08 -0.89 -1.02 117.51 119.27 3a12 h ILE 267 Ca 0.04 -0.40 -0.06 0.00 -0.39 0.00 0.00 64.86 64.05 3a12 h ILE 267 Cb 0.02 -0.10 -0.02 0.00 -3.07 0.00 0.00 36.82 33.65 3a12 h ILE 267 CO -0.01 0.21 0.09 -0.09 -0.69 0.00 0.00 178.15 177.67 3a12 h ARG 268 N 1.17 0.86 -0.49 2.37 1.12 -0.85 -0.07 114.38 118.49 3a12 h ARG 268 Ca 0.35 -0.23 -0.10 0.00 -1.11 0.00 0.00 59.98 58.90 3a12 h ARG 268 Cb -0.04 -0.10 -0.02 0.00 -0.01 0.00 0.00 29.97 29.80 3a12 h ARG 268 CO -0.11 0.84 -0.09 -0.44 -3.11 0.00 0.00 179.97 177.06 3a12 h ASP 269 N 0.75 0.88 0.02 -3.80 3.32 -0.58 -0.73 116.42 116.28 3a12 h ASP 269 Ca 0.16 -0.27 -0.00 0.00 0.02 0.00 0.00 57.03 56.94 3a12 h ASP 269 Cb 0.39 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.70 3a12 h ASP 269 CO 0.01 0.99 -0.01 0.25 -1.72 0.00 0.00 179.24 178.76 3a12 h LEU 270 N 0.80 -0.03 -0.76 1.55 5.85 -1.06 -0.87 115.31 120.79 3a12 h LEU 270 Ca 0.13 -0.22 0.07 0.00 0.84 0.00 0.00 57.88 58.70 3a12 h LEU 270 Cb 0.60 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.58 3a12 h LEU 270 CO 0.04 0.21 0.43 0.00 -0.34 0.00 0.00 178.44 178.78 3a12 h ALA 271 N 0.70 1.05 -0.38 1.25 0.00 -0.89 -2.00 119.26 118.99 3a12 h ALA 271 Ca -0.00 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3a12 h ALA 271 Cb 0.25 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3a12 h ALA 271 CO 0.01 0.10 0.23 0.00 0.00 0.00 0.00 179.25 179.58 3a12 h ALA 272 N 1.40 0.48 -0.38 0.00 0.00 -0.98 0.18 119.26 119.97 3a12 h ALA 272 Ca 0.35 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.26 3a12 h ALA 272 Cb 0.26 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3a12 h ALA 272 CO -0.21 -0.02 0.26 -0.44 0.00 0.00 0.00 179.25 178.83 3a12 h ASP 273 N 0.49 0.24 0.43 0.00 5.19 -0.81 0.14 116.42 122.10 3a12 h ASP 273 Ca 0.14 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.54 3a12 h ASP 273 Cb 0.00 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 39.46 3a12 h ASP 273 CO -0.03 0.16 -0.08 -1.22 -3.12 0.00 0.00 179.24 174.95 3a12 n TYR 274 N -4.48 0.00 -3.13 4.55 4.01 -0.76 -4.91 117.16 112.44 3a12 n TYR 274 Ca 0.05 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.64 3a12 n TYR 274 Cb 0.24 -0.22 0.05 0.00 -0.31 0.00 0.00 39.34 39.11 3a12 n TYR 274 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3a12 n GLY 275 N 1.28 0.03 3.51 2.72 0.00 0.47 -4.92 105.19 108.29 3a12 n GLY 275 Ca 0.14 -0.11 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 3a12 n GLY 275 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a12 s LEU 276 N -4.83 3.16 0.39 0.99 1.43 0.56 -4.91 118.68 115.47 3a12 s LEU 276 Ca 0.31 -0.11 -0.23 0.00 -1.03 0.00 0.00 54.13 53.06 3a12 s LEU 276 Cb -0.14 -1.73 -0.10 0.00 0.03 0.00 0.00 46.19 44.26 3a12 s LEU 276 CO 0.45 0.24 0.98 0.00 0.23 0.00 0.00 176.35 178.25 3a12 s ALA 277 N -0.05 3.09 -0.19 4.21 0.00 -0.34 -4.18 121.76 124.30 3a12 s ALA 277 Ca 0.01 0.54 -0.04 0.00 0.00 0.00 0.00 51.96 52.47 3a12 s ALA 277 Cb -0.13 -3.20 -0.02 0.00 0.00 0.00 0.00 23.12 19.76 3a12 s ALA 277 CO 0.03 0.01 -0.04 0.42 0.00 0.00 0.00 175.76 176.18 3a12 s ILE 278 N -1.84 3.63 -0.26 0.00 1.01 -1.26 -0.38 121.20 122.10 3a12 s ILE 278 Ca 0.58 -0.43 -0.12 0.00 0.00 0.00 0.00 60.65 60.68 3a12 s ILE 278 Cb -0.16 -2.62 -0.05 0.00 0.01 0.00 0.00 42.46 39.64 3a12 s ILE 278 CO 0.21 0.45 0.24 -2.28 0.00 0.00 0.00 174.94 173.56 3a12 s HIS 279 N 0.93 3.26 -0.32 3.97 5.65 0.37 -1.88 115.29 127.26 3a12 s HIS 279 Ca -0.00 0.24 -0.11 0.00 0.25 0.00 0.00 55.06 55.45 3a12 s HIS 279 Cb -0.15 -2.41 -0.01 0.00 -1.18 0.00 0.00 32.58 28.83 3a12 s HIS 279 CO 0.01 -0.12 0.18 0.20 -0.65 0.00 0.00 174.74 174.36 3a12 s GLY 280 N 1.54 1.90 -0.07 1.59 0.00 0.14 -0.73 107.32 111.68 3a12 s GLY 280 Ca 0.10 -1.36 -0.12 0.00 0.00 0.00 0.00 44.72 43.34 3a12 s GLY 280 CO 0.09 0.71 0.29 -1.58 0.00 0.00 0.00 173.10 172.61 3a12 s HIS 281 N 1.66 3.63 -0.25 1.90 2.46 -0.01 -2.91 115.29 121.77 3a12 s HIS 281 Ca 0.05 0.75 0.13 0.00 0.47 0.00 0.00 55.06 56.47 3a12 s HIS 281 Cb -0.17 -2.17 0.75 0.00 -0.13 0.00 0.00 32.58 30.86 3a12 s HIS 281 CO 0.08 0.61 1.71 2.89 -2.47 0.00 0.00 174.74 177.56 3a12 n ARG 282 N 2.18 4.21 -1.52 2.88 1.85 -1.26 -1.22 116.66 123.78 3a12 n ARG 282 Ca -0.16 -3.10 -0.54 0.00 -1.00 0.00 0.00 57.85 53.05 3a12 n ARG 282 Cb 0.53 -2.18 -0.06 0.00 -1.05 0.00 0.00 32.46 29.71 3a12 n ARG 282 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3a12 n ALA 283 N 0.19 -2.42 0.00 2.89 0.00 -1.26 -0.78 120.51 119.12 3a12 n ALA 283 Ca 0.30 0.53 0.00 0.00 0.00 0.00 0.00 53.44 54.27 3a12 n ALA 283 Cb 1.20 -1.85 0.00 0.00 0.00 0.00 0.00 19.45 18.80 3a12 n ALA 283 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 3a12 n MET 284 N 1.65 0.00 -0.33 0.00 0.00 -1.26 -4.06 117.12 113.12 3a12 n MET 284 Ca 0.18 0.00 0.09 0.00 -0.00 0.00 0.00 57.70 57.97 3a12 n MET 284 Cb 0.16 -0.42 0.29 0.00 0.00 0.00 0.00 33.22 33.26 3a12 n MET 284 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 175.97 177.09 3a12 h HIS 285 N 0.00 1.04 0.00 1.12 -0.00 -1.37 -1.69 115.15 114.24 3a12 h HIS 285 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.40 3a12 h HIS 285 Cb 0.00 -0.33 0.00 0.00 -0.00 0.00 0.00 27.41 27.08 3a12 h HIS 285 CO 0.00 0.39 0.00 0.00 -0.00 0.00 0.00 177.93 178.32 3a12 n ALA 286 N -2.37 1.33 0.28 6.11 0.00 -1.26 -0.81 120.51 123.79 3a12 n ALA 286 Ca 0.19 0.15 0.12 0.00 0.00 0.00 0.00 53.44 53.90 3a12 n ALA 286 Cb 0.41 -1.36 0.79 0.00 0.00 0.00 0.00 19.45 19.30 3a12 n ALA 286 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3a12 h ALA 287 N 2.12 1.73 0.00 0.00 0.00 -1.72 -3.28 119.26 118.11 3a12 h ALA 287 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3a12 h ALA 287 Cb 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3a12 h ALA 287 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 179.25 181.22 3a12 n PHE 288 N -4.15 0.00 1.04 0.00 1.16 0.01 -4.80 117.46 110.72 3a12 n PHE 288 Ca -0.03 0.00 0.11 0.00 -1.87 0.00 0.00 57.45 55.66 3a12 n PHE 288 Cb 0.09 0.00 0.06 0.00 -1.61 0.00 0.00 39.48 38.02 3a12 n PHE 288 CO 0.00 0.00 0.00 0.25 -1.87 0.00 0.00 176.76 175.14 3a12 n THR 289 N -0.47 0.00 0.06 1.97 -2.24 -0.42 -1.47 114.28 111.71 3a12 n THR 289 Ca 0.00 -0.29 -0.23 0.00 -2.27 0.00 0.00 64.05 61.26 3a12 n THR 289 Cb 0.01 1.20 -0.15 0.00 -2.10 0.00 0.00 70.33 69.30 3a12 n THR 289 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 3a12 h ARG 290 N 2.75 0.37 -6.36 -0.78 2.43 -1.81 -3.41 114.38 107.58 3a12 h ARG 290 Ca 0.00 -0.64 -0.57 0.00 -0.81 0.00 0.00 59.98 57.96 3a12 h ARG 290 Cb 0.77 0.24 -0.04 0.00 -0.42 0.00 0.00 29.97 30.52 3a12 h ARG 290 CO 0.00 1.31 1.03 1.21 -1.51 0.00 0.00 179.97 182.01 3a12 s ASN 291 N -7.26 6.53 0.00 -3.80 3.84 -1.26 -4.89 114.94 108.11 3a12 s ASN 291 Ca -0.17 1.26 0.10 0.00 0.21 0.00 0.00 52.86 54.26 3a12 s ASN 291 Cb 0.05 -2.54 0.47 0.00 -0.55 0.00 0.00 41.25 38.69 3a12 s ASN 291 CO 0.84 -1.19 1.29 -0.81 -2.79 0.00 0.00 177.10 174.44 3a12 n PRO 292 N 7.53 0.06 0.00 0.43 -0.04 -1.26 -2.29 135.00 139.44 3a12 n PRO 292 Ca 0.16 0.27 0.05 0.00 -0.04 0.00 0.00 63.50 63.94 3a12 n PRO 292 Cb 0.46 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.46 3a12 n PRO 292 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3a12 n TYR 293 N -1.41 0.00 -3.64 0.54 4.01 -1.26 -4.89 117.16 110.50 3a12 n TYR 293 Ca 0.03 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.73 3a12 n TYR 293 Cb 0.11 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.07 3a12 n TYR 293 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 3a12 s HIS 294 N -0.86 -0.84 -0.76 -0.72 2.46 -0.97 -2.29 115.29 111.31 3a12 s HIS 294 Ca 0.10 1.67 0.00 0.00 0.47 0.00 0.00 55.06 57.31 3a12 s HIS 294 Cb 0.08 0.50 0.00 0.00 -0.13 0.00 0.00 32.58 33.03 3a12 s HIS 294 CO 0.14 -0.42 0.00 0.41 -2.47 0.00 0.00 174.74 172.40 3a12 n GLY 295 N 4.08 0.29 3.10 1.59 0.00 -0.12 -4.26 105.19 109.88 3a12 n GLY 295 Ca -0.19 -1.89 -0.27 0.00 0.00 0.00 0.00 46.02 43.67 3a12 n GLY 295 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a12 s ILE 296 N -0.87 1.48 0.48 -0.61 1.01 -0.55 -0.79 121.20 121.35 3a12 s ILE 296 Ca 0.00 -0.69 -0.22 0.00 0.00 0.00 0.00 60.65 59.74 3a12 s ILE 296 Cb 0.00 -1.31 -0.07 0.00 0.01 0.00 0.00 42.46 41.09 3a12 s ILE 296 CO 0.00 0.43 1.17 -0.55 0.00 0.00 0.00 174.94 175.99 3a12 s SER 297 N 0.48 6.03 0.59 3.58 0.15 -0.52 -3.60 113.70 120.41 3a12 s SER 297 Ca -0.15 2.30 0.29 0.00 0.70 0.00 0.00 55.95 59.09 3a12 s SER 297 Cb -0.16 -2.60 1.76 0.00 -1.71 0.00 0.00 66.02 63.31 3a12 s SER 297 CO 0.05 -1.01 2.23 -0.03 1.20 0.00 0.00 173.24 175.68 3a12 h MET 298 N 1.85 0.00 -0.95 5.44 4.05 -1.91 -1.91 114.93 121.49 3a12 h MET 298 Ca -0.50 0.00 0.01 0.00 -0.28 0.00 0.00 59.70 58.93 3a12 h MET 298 Cb 1.25 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 32.01 3a12 h MET 298 CO 0.59 0.00 0.62 0.35 0.23 0.00 0.00 176.91 178.70 3a12 h PHE 299 N 0.00 1.20 -0.10 1.39 3.57 -1.90 0.13 116.94 121.23 3a12 h PHE 299 Ca 0.01 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 3a12 h PHE 299 Cb 0.08 -0.40 -0.00 0.00 2.79 0.00 0.00 35.95 38.41 3a12 h PHE 299 CO 0.00 0.76 -0.01 0.28 -2.23 0.00 0.00 178.31 177.11 3a12 h VAL 300 N 1.29 1.28 -0.54 1.41 2.07 -1.56 -2.49 116.25 117.71 3a12 h VAL 300 Ca 0.35 -0.89 0.10 0.00 0.82 0.00 0.00 66.70 67.07 3a12 h VAL 300 Cb -0.13 1.67 -0.08 0.00 -1.52 0.00 0.00 31.29 31.23 3a12 h VAL 300 CO -0.07 0.25 0.08 -0.07 0.02 0.00 0.00 177.57 177.78 3a12 h LEU 301 N -0.12 -0.06 -0.20 2.57 4.07 -1.34 -0.12 115.31 120.12 3a12 h LEU 301 Ca 0.03 0.11 0.00 0.00 0.08 0.00 0.00 57.88 58.09 3a12 h LEU 301 Cb 0.40 0.16 -0.01 0.00 1.08 0.00 0.00 40.66 42.29 3a12 h LEU 301 CO 0.01 -0.01 0.12 0.00 -1.08 0.00 0.00 178.44 177.48 3a12 h ALA 302 N 1.44 0.25 0.09 1.53 0.00 -0.68 0.20 119.26 122.09 3a12 h ALA 302 Ca 0.28 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.17 3a12 h ALA 302 Cb 0.40 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3a12 h ALA 302 CO -0.38 -0.26 -0.12 -0.22 0.00 0.00 0.00 179.25 178.26 3a12 h LYS 303 N 0.25 -0.25 -0.72 0.00 3.64 -0.97 -1.45 116.57 117.07 3a12 h LYS 303 Ca 0.07 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 3a12 h LYS 303 Cb -0.00 0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.84 3a12 h LYS 303 CO -0.01 -0.16 0.46 -0.07 -2.27 0.00 0.00 179.45 177.39 3a12 h LEU 304 N -0.26 0.84 -0.94 5.20 3.38 -0.79 -1.42 115.31 121.32 3a12 h LEU 304 Ca 0.02 -0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 3a12 h LEU 304 Cb 0.26 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3a12 h LEU 304 CO -0.06 0.62 -0.32 1.88 0.09 0.00 0.00 178.44 180.65 3a12 h TYR 305 N 0.97 0.43 -0.42 1.13 0.05 -0.86 -1.27 116.97 117.00 3a12 h TYR 305 Ca 0.26 -0.10 -0.03 0.00 0.05 0.00 0.00 58.73 58.90 3a12 h TYR 305 Cb -0.08 -0.10 -0.02 0.00 1.01 0.00 0.00 36.73 37.54 3a12 h TYR 305 CO -0.02 0.66 0.13 -0.09 -1.05 0.00 0.00 178.16 177.79 3a12 h ARG 306 N 0.33 0.65 -0.50 4.88 2.43 -0.92 -1.61 114.38 119.64 3a12 h ARG 306 Ca 0.04 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 3a12 h ARG 306 Cb 0.73 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.16 3a12 h ARG 306 CO 0.06 0.64 0.32 -0.07 -1.51 0.00 0.00 179.97 179.41 3a12 h LEU 307 N 0.54 0.59 -0.76 3.80 3.38 -0.81 -2.48 115.31 119.57 3a12 h LEU 307 Ca 0.14 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3a12 h LEU 307 Cb 0.26 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 3a12 h LEU 307 CO -0.00 0.45 0.48 0.40 0.09 0.00 0.00 178.44 179.86 3a12 h ILE 308 N 0.68 1.20 0.00 1.22 2.04 -1.20 -0.98 117.51 120.47 3a12 h ILE 308 Ca 0.18 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.64 3a12 h ILE 308 Cb -0.05 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.15 3a12 h ILE 308 CO -0.04 0.20 0.00 0.61 0.00 0.00 0.00 178.15 178.92 3a12 n GLY 309 N -1.26 1.24 3.69 5.37 0.00 -0.75 -4.11 105.19 109.37 3a12 n GLY 309 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 3a12 n GLY 309 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a12 s ILE 310 N -1.34 3.09 -0.08 -0.61 -1.09 -0.68 -4.23 121.20 116.26 3a12 s ILE 310 Ca 0.00 0.51 0.13 0.00 -2.23 0.00 0.00 60.65 59.06 3a12 s ILE 310 Cb 0.00 -3.33 -0.01 0.00 -1.58 0.00 0.00 42.46 37.55 3a12 s ILE 310 CO 0.00 -0.01 1.41 0.44 -1.23 0.00 0.00 174.94 175.55 3a12 h ASP 311 N 8.45 0.00 -3.63 3.58 3.32 -1.77 -3.43 116.42 122.94 3a12 h ASP 311 Ca -0.42 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.38 3a12 h ASP 311 Cb 1.20 0.00 -0.30 0.00 0.22 0.00 0.00 39.33 40.45 3a12 h ASP 311 CO 0.93 0.63 -0.67 -1.10 -1.72 0.00 0.00 179.24 177.31 3a12 s GLN 312 N -2.91 0.04 -0.07 3.56 -0.21 -0.79 -0.12 119.66 119.15 3a12 s GLN 312 Ca 0.03 0.15 -0.05 0.00 0.02 0.00 0.00 55.36 55.52 3a12 s GLN 312 Cb 0.08 -0.08 0.03 0.00 1.00 0.00 0.00 33.01 34.04 3a12 s GLN 312 CO 0.76 -0.08 0.18 -1.17 -2.12 0.00 0.00 175.29 172.86 3a12 s LEU 313 N 0.50 0.87 0.19 2.90 2.96 -0.29 0.25 118.68 126.06 3a12 s LEU 313 Ca -0.04 0.37 -0.30 0.00 -0.22 0.00 0.00 54.13 53.94 3a12 s LEU 313 Cb -0.06 0.53 -0.09 0.00 0.50 0.00 0.00 46.19 47.08 3a12 s LEU 313 CO -0.02 -0.12 1.36 -1.00 -1.32 0.00 0.00 176.35 175.25 3a12 s HIS 314 N 0.80 3.21 0.00 5.38 3.76 -1.15 0.20 115.29 127.50 3a12 s HIS 314 Ca -0.06 1.11 0.00 0.00 -0.15 0.00 0.00 55.06 55.96 3a12 s HIS 314 Cb -0.08 -3.66 0.00 0.00 1.11 0.00 0.00 32.58 29.95 3a12 s HIS 314 CO -0.04 -2.16 0.00 1.33 -0.85 0.00 0.00 174.74 173.01 3a12 n VAL 315 N 2.92 0.00 0.00 -0.90 0.24 -0.50 -4.83 118.33 115.27 3a12 n VAL 315 Ca 0.08 -0.25 0.00 0.00 -2.04 0.00 0.00 64.34 62.13 3a12 n VAL 315 Cb 0.42 0.86 0.00 0.00 -1.47 0.00 0.00 33.84 33.65 3a12 n VAL 315 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3a12 n GLY 316 N 0.81 1.88 0.56 7.63 0.00 -1.25 -4.78 105.19 110.04 3a12 n GLY 316 Ca 0.00 -2.19 0.06 0.00 0.00 0.00 0.00 46.02 43.89 3a12 n GLY 316 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3a12 n THR 317 N -1.10 1.45 -3.52 2.61 -2.24 -1.26 -4.24 114.28 105.98 3a12 n THR 317 Ca 0.00 -1.36 -0.26 0.00 -2.27 0.00 0.00 64.05 60.16 3a12 n THR 317 Cb 0.00 0.22 0.03 0.00 -2.10 0.00 0.00 70.33 68.47 3a12 n THR 317 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3a12 n ALA 318 N -0.12 -1.15 0.00 6.98 0.00 -1.26 -1.90 120.51 123.07 3a12 n ALA 318 Ca 0.13 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.78 3a12 n ALA 318 Cb 0.55 -4.01 0.00 0.00 0.00 0.00 0.00 19.45 15.99 3a12 n ALA 318 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a12 n GLY 319 N -1.55 3.03 0.14 0.00 0.00 -1.16 -4.09 105.19 101.57 3a12 n GLY 319 Ca -0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.13 3a12 n GLY 319 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a12 h ALA 320 N 0.00 0.89 -3.70 4.61 0.00 -1.72 -3.48 119.26 115.86 3a12 h ALA 320 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3a12 h ALA 320 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3a12 h ALA 320 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 3a12 n GLY 321 N 1.23 3.64 0.07 0.00 0.00 -1.26 -4.50 105.19 104.37 3a12 n GLY 321 Ca 0.04 -2.13 0.14 0.00 0.00 0.00 0.00 46.02 44.07 3a12 n GLY 321 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3a12 n LYS 322 N -0.34 0.54 -4.26 1.61 2.85 0.06 -4.67 118.16 113.95 3a12 n LYS 322 Ca 0.00 -0.15 -0.29 0.00 -1.05 0.00 0.00 58.31 56.82 3a12 n LYS 322 Cb 0.00 -1.50 -0.10 0.00 -0.65 0.00 0.00 35.03 32.78 3a12 n LYS 322 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 3a12 s LEU 323 N -2.56 2.96 0.56 -5.58 1.43 -1.26 -4.84 118.68 109.38 3a12 s LEU 323 Ca 0.27 -0.48 -0.19 0.00 -1.03 0.00 0.00 54.13 52.69 3a12 s LEU 323 Cb 0.20 -1.73 -0.05 0.00 0.03 0.00 0.00 46.19 44.64 3a12 s LEU 323 CO 0.49 0.15 1.15 -0.70 0.23 0.00 0.00 176.35 177.67 3a12 s GLU 324 N -2.42 3.26 0.00 1.70 -6.30 -1.26 -4.83 118.70 108.85 3a12 s GLU 324 Ca 0.22 1.67 0.00 0.00 -2.50 0.00 0.00 54.97 54.36 3a12 s GLU 324 Cb -0.10 -1.99 0.00 0.00 0.00 0.00 0.00 34.13 32.04 3a12 s GLU 324 CO 0.14 -0.94 0.00 0.41 0.02 0.00 0.00 175.26 174.89 3a12 n GLY 325 N 0.25 2.84 3.76 -1.50 0.00 -1.26 -4.94 105.19 104.34 3a12 n GLY 325 Ca 0.12 0.07 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 3a12 n GLY 325 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3a12 s GLY 326 N 0.00 2.73 0.12 -0.02 0.00 -1.26 -2.99 107.32 105.90 3a12 s GLY 326 Ca 0.00 0.98 -0.22 0.00 0.00 0.00 0.00 44.72 45.48 3a12 s GLY 326 CO 0.00 1.37 1.69 1.70 0.00 0.00 0.00 173.10 177.86 3a12 h LYS 327 N 0.98 -0.12 -0.25 2.90 3.64 -1.96 -0.78 116.57 120.98 3a12 h LYS 327 Ca -0.50 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 58.86 3a12 h LYS 327 Cb 1.29 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.13 3a12 h LYS 327 CO 0.56 -0.08 0.08 2.35 -2.27 0.00 0.00 179.45 180.08 3a12 h TRP 328 N -0.12 0.41 -0.59 1.91 7.01 -1.92 -1.80 115.95 120.85 3a12 h TRP 328 Ca 0.07 -0.04 0.10 0.00 2.11 0.00 0.00 58.89 61.13 3a12 h TRP 328 Cb 0.23 -0.12 -0.08 0.00 -2.10 0.00 0.00 29.16 27.09 3a12 h TRP 328 CO -0.21 0.46 0.17 -0.44 -2.79 0.00 0.00 178.44 175.63 3a12 h ASP 329 N 0.24 0.10 0.28 2.65 3.32 -1.91 -2.02 116.42 119.08 3a12 h ASP 329 Ca 0.08 0.09 -0.15 0.00 0.02 0.00 0.00 57.03 57.07 3a12 h ASP 329 Cb 0.25 0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 3a12 h ASP 329 CO -0.00 0.07 -0.59 0.58 -1.72 0.00 0.00 179.24 177.57 3a12 h VAL 330 N 0.32 1.37 -0.59 -1.35 2.07 -0.95 -1.64 116.25 115.48 3a12 h VAL 330 Ca 0.30 -1.93 0.01 0.00 0.82 0.00 0.00 66.70 65.90 3a12 h VAL 330 Cb 0.41 1.94 -0.03 0.00 -1.52 0.00 0.00 31.29 32.10 3a12 h VAL 330 CO -0.35 0.58 0.39 0.40 0.02 0.00 0.00 177.57 178.61 3a12 h ILE 331 N 0.24 1.15 -0.81 4.57 2.04 -0.88 -1.67 117.51 122.15 3a12 h ILE 331 Ca -0.00 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.58 3a12 h ILE 331 Cb 1.10 0.28 -0.04 0.00 -0.74 0.00 0.00 36.82 37.42 3a12 h ILE 331 CO 0.10 0.15 0.51 1.56 0.00 0.00 0.00 178.15 180.46 3a12 h GLN 332 N 0.80 1.08 -0.31 2.37 1.08 -0.84 -0.46 115.11 118.83 3a12 h GLN 332 Ca 0.22 -0.08 0.06 0.00 -1.45 0.00 0.00 58.65 57.40 3a12 h GLN 332 Cb -0.09 -0.23 -0.06 0.00 -0.05 0.00 0.00 27.48 27.05 3a12 h GLN 332 CO -0.05 0.74 -0.06 -0.91 -0.95 0.00 0.00 178.83 177.60 3a12 h ASN 333 N 1.10 -0.26 -0.89 1.46 2.35 -0.72 -0.70 115.58 117.93 3a12 h ASN 333 Ca 0.29 0.09 -0.02 0.00 -0.55 0.00 0.00 56.30 56.11 3a12 h ASN 333 Cb -0.08 0.18 -0.04 0.00 0.05 0.00 0.00 38.32 38.42 3a12 h ASN 333 CO -0.06 -0.09 0.48 0.00 -1.65 0.00 0.00 177.43 176.12 3a12 h ALA 334 N 1.30 1.14 -0.34 -0.83 0.00 -0.92 -2.89 119.26 116.72 3a12 h ALA 334 Ca 0.15 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3a12 h ALA 334 Cb 0.22 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3a12 h ALA 334 CO -0.31 0.65 0.06 0.00 0.00 0.00 0.00 179.25 179.66 3a12 h ARG 335 N 1.24 0.55 0.00 0.00 3.08 -0.39 -2.75 114.38 116.11 3a12 h ARG 335 Ca 0.31 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 60.22 3a12 h ARG 335 Cb 0.03 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.01 3a12 h ARG 335 CO -0.05 0.62 0.00 0.97 -1.07 0.00 0.00 179.97 180.44 3a12 h ILE 336 N 0.39 0.00 0.00 2.04 6.09 -1.07 -1.68 117.51 123.28 3a12 h ILE 336 Ca 0.10 -0.46 -0.22 0.00 -1.37 0.00 0.00 64.86 62.92 3a12 h ILE 336 Cb 0.33 1.42 -0.03 0.00 0.47 0.00 0.00 36.82 39.01 3a12 h ILE 336 CO 0.00 0.00 -1.08 -0.07 -3.07 0.00 0.00 178.15 173.94 3a12 h LEU 337 N 0.00 0.01 0.00 2.19 3.38 -1.33 -3.41 115.31 116.15 3a12 h LEU 337 Ca 0.00 -0.01 -0.24 0.00 0.09 0.00 0.00 57.88 57.72 3a12 h LEU 337 Cb 0.48 -0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.18 3a12 h LEU 337 CO 0.00 1.01 -2.11 0.54 0.09 0.00 0.00 178.44 177.97 3a12 n ARG 338 N -3.32 1.04 -3.38 1.13 1.74 -0.92 -0.91 116.66 112.03 3a12 n ARG 338 Ca -0.02 -0.05 -0.38 0.00 -0.77 0.00 0.00 57.85 56.63 3a12 n ARG 338 Cb 0.95 -1.44 -0.06 0.00 -1.02 0.00 0.00 32.46 30.89 3a12 n ARG 338 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3a12 s GLU 339 N -2.62 4.08 0.18 5.56 2.02 -0.68 -4.61 118.70 122.63 3a12 s GLU 339 Ca -0.08 0.58 -0.07 0.00 0.02 0.00 0.00 54.97 55.42 3a12 s GLU 339 Cb 0.07 -3.24 0.09 0.00 0.10 0.00 0.00 34.13 31.15 3a12 s GLU 339 CO 0.72 0.64 1.55 0.77 0.02 0.00 0.00 175.26 178.97 3a12 h SER 340 N 4.71 0.85 -3.13 -0.19 0.02 -1.91 -3.41 113.55 110.49 3a12 h SER 340 Ca -0.50 -0.36 -0.56 0.00 -0.84 0.00 0.00 61.79 59.53 3a12 h SER 340 Cb 1.22 -0.24 -0.40 0.00 0.14 0.00 0.00 62.40 63.12 3a12 h SER 340 CO 0.63 1.10 -0.76 -2.28 -1.14 0.00 0.00 176.83 174.38 3a12 s HIS 341 N -4.44 1.36 -0.20 3.45 5.65 -1.26 0.55 115.29 120.39 3a12 s HIS 341 Ca -0.10 -1.42 -0.23 0.00 0.25 0.00 0.00 55.06 53.56 3a12 s HIS 341 Cb 0.12 -1.44 -0.02 0.00 -1.18 0.00 0.00 32.58 30.07 3a12 s HIS 341 CO 0.85 -0.81 0.75 -0.47 -0.65 0.00 0.00 174.74 174.42 3a12 s TYR 342 N 1.74 3.37 -0.23 3.88 5.04 0.51 -4.93 117.35 126.72 3a12 s TYR 342 Ca 0.07 1.09 0.00 0.00 -2.44 0.00 0.00 57.07 55.79 3a12 s TYR 342 Cb -0.17 -2.95 0.03 0.00 0.35 0.00 0.00 41.96 39.23 3a12 s TYR 342 CO -0.23 -0.27 -0.11 -1.59 -1.34 0.00 0.00 175.55 172.01 3a12 s LYS 343 N 2.30 2.72 0.73 4.97 0.00 -1.26 -1.27 119.74 127.93 3a12 s LYS 343 Ca 0.33 -1.04 -0.14 0.00 0.00 0.00 0.00 55.97 55.12 3a12 s LYS 343 Cb -0.16 -2.86 0.04 0.00 0.00 0.00 0.00 37.83 34.85 3a12 s LYS 343 CO 0.10 -0.40 1.17 -1.25 0.00 0.00 0.00 175.35 174.98 3a12 s PRO 344 N 1.26 2.20 0.66 1.78 0.04 -1.26 -4.98 135.00 134.69 3a12 s PRO 344 Ca -0.01 1.63 -0.17 0.00 0.04 0.00 0.00 61.00 62.49 3a12 s PRO 344 Cb -0.17 -1.85 -0.00 0.00 0.04 0.00 0.00 34.50 32.52 3a12 s PRO 344 CO -0.07 -1.76 1.22 -0.51 0.04 0.00 0.00 177.00 175.92 3a12 s ASP 345 N -2.27 4.72 0.32 6.66 1.01 -1.26 -4.91 116.67 120.94 3a12 s ASP 345 Ca 0.71 2.39 0.06 0.00 0.71 0.00 0.00 52.55 56.43 3a12 s ASP 345 Cb -0.26 -2.60 0.72 0.00 1.01 0.00 0.00 42.92 41.79 3a12 s ASP 345 CO 0.46 -1.91 1.83 1.05 0.21 0.00 0.00 175.17 176.81 3a12 h GLU 346 N 0.35 0.78 -0.01 8.23 9.09 -2.02 -0.53 114.58 130.46 3a12 h GLU 346 Ca -0.49 -0.05 0.00 0.00 0.05 0.00 0.00 59.36 58.87 3a12 h GLU 346 Cb 1.30 -0.18 0.00 0.00 -1.65 0.00 0.00 28.75 28.22 3a12 h GLU 346 CO 0.53 0.52 0.00 0.27 0.05 0.00 0.00 179.01 180.37 3a12 n ASN 347 N -4.63 0.89 -4.63 3.06 6.94 -1.26 -4.85 115.26 110.77 3a12 n ASN 347 Ca 0.20 -1.30 -0.43 0.00 -0.02 0.00 0.00 54.58 53.03 3a12 n ASN 347 Cb 0.47 -0.00 -0.02 0.00 -2.36 0.00 0.00 39.78 37.87 3a12 n ASN 347 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 3a12 s ASP 348 N -1.99 6.85 0.00 0.53 -1.08 -0.21 -4.89 116.67 115.88 3a12 s ASP 348 Ca 0.42 0.96 0.21 0.00 -0.52 0.00 0.00 52.55 53.61 3a12 s ASP 348 Cb 0.21 -2.54 0.44 0.00 -1.46 0.00 0.00 42.92 39.57 3a12 s ASP 348 CO 0.35 -0.97 1.38 1.33 0.52 0.00 0.00 175.17 177.77 3a12 n VAL 349 N 6.09 0.65 -0.11 1.11 0.24 -1.26 -4.49 118.33 120.55 3a12 n VAL 349 Ca 0.12 -0.83 -0.15 0.00 -2.04 0.00 0.00 64.34 61.44 3a12 n VAL 349 Cb 0.47 0.82 -0.11 0.00 -1.47 0.00 0.00 33.84 33.55 3a12 n VAL 349 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 3a12 n PHE 350 N 1.35 0.00 -4.31 6.34 3.72 -1.26 -4.97 117.46 118.32 3a12 n PHE 350 Ca 0.19 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.30 3a12 n PHE 350 Cb 0.57 -0.91 -0.11 0.00 -0.94 0.00 0.00 39.48 38.09 3a12 n PHE 350 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 176.76 175.70 3a12 s HIS 351 N -2.47 2.54 0.23 1.38 3.76 -1.26 -4.32 115.29 115.15 3a12 s HIS 351 Ca -0.28 -0.26 0.08 0.00 -0.15 0.00 0.00 55.06 54.45 3a12 s HIS 351 Cb 0.08 -1.31 -0.04 0.00 1.11 0.00 0.00 32.58 32.41 3a12 s HIS 351 CO 0.58 0.43 0.05 -0.51 -0.85 0.00 0.00 174.74 174.43 3a12 s LEU 352 N -2.35 3.41 0.35 0.89 1.43 -1.26 -4.78 118.68 116.37 3a12 s LEU 352 Ca 0.20 -0.45 -0.29 0.00 -1.03 0.00 0.00 54.13 52.57 3a12 s LEU 352 Cb -0.10 -1.98 -0.11 0.00 0.03 0.00 0.00 46.19 44.03 3a12 s LEU 352 CO 0.11 0.02 1.49 -0.70 0.23 0.00 0.00 176.35 177.51 3a12 s GLU 353 N -3.45 4.14 -0.16 1.70 2.12 -1.26 -4.67 118.70 117.12 3a12 s GLU 353 Ca 0.30 2.54 -0.04 0.00 0.36 0.00 0.00 54.97 58.13 3a12 s GLU 353 Cb -0.08 -2.99 0.08 0.00 0.26 0.00 0.00 34.13 31.40 3a12 s GLU 353 CO 0.21 -0.52 0.25 -1.14 -0.54 0.00 0.00 175.26 173.52 3a12 s GLN 354 N -1.65 0.17 0.18 4.30 2.00 -0.39 -4.98 119.66 119.28 3a12 s GLN 354 Ca 0.55 0.55 -0.23 0.00 -2.00 0.00 0.00 55.36 54.23 3a12 s GLN 354 Cb -0.46 -0.46 -0.08 0.00 0.80 0.00 0.00 33.01 32.81 3a12 s GLN 354 CO 0.58 -0.43 0.74 0.15 -0.50 0.00 0.00 175.29 175.83 3a12 s LYS 355 N 2.39 4.41 -0.01 1.67 1.02 -1.26 -0.36 119.74 127.61 3a12 s LYS 355 Ca 0.04 1.01 0.12 0.00 0.02 0.00 0.00 55.97 57.16 3a12 s LYS 355 Cb -0.13 -3.11 -0.15 0.00 -0.52 0.00 0.00 37.83 33.91 3a12 s LYS 355 CO -0.10 0.51 0.42 1.19 -0.92 0.00 0.00 175.35 176.45 3a12 n PHE 356 N 1.27 0.00 0.00 3.18 3.72 0.19 -4.93 117.46 120.89 3a12 n PHE 356 Ca -0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 3a12 n PHE 356 Cb 0.50 -0.09 0.00 0.00 -0.94 0.00 0.00 39.48 38.94 3a12 n PHE 356 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3a12 n TYR 357 N -1.50 0.00 0.97 1.38 4.01 -1.25 -2.02 117.16 118.75 3a12 n TYR 357 Ca 0.01 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.87 3a12 n TYR 357 Cb 0.23 0.00 0.23 0.00 -0.31 0.00 0.00 39.34 39.49 3a12 n TYR 357 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 3a12 n SER 358 N 10.54 0.52 -4.65 7.72 3.41 -1.26 -4.90 113.62 125.00 3a12 n SER 358 Ca 0.00 -0.25 -0.45 0.00 -0.26 0.00 0.00 58.87 57.91 3a12 n SER 358 Cb 0.00 0.28 -0.04 0.00 -0.26 0.00 0.00 64.21 64.19 3a12 n SER 358 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 3a12 n ILE 359 N -1.54 0.64 -0.91 -1.33 2.08 -0.86 -4.94 119.36 112.49 3a12 n ILE 359 Ca 0.05 -0.17 -0.29 0.00 0.56 0.00 0.00 62.75 62.91 3a12 n ILE 359 Cb 0.34 -2.16 0.19 0.00 -0.75 0.00 0.00 39.64 37.26 3a12 n ILE 359 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 3a12 s LYS 360 N 4.60 0.31 0.24 0.38 1.02 -1.26 -4.92 119.74 120.11 3a12 s LYS 360 Ca 0.93 0.86 -0.27 0.00 0.02 0.00 0.00 55.97 57.50 3a12 s LYS 360 Cb -0.54 -1.70 -0.09 0.00 -0.52 0.00 0.00 37.83 34.99 3a12 s LYS 360 CO 0.45 -2.90 0.88 0.00 -0.92 0.00 0.00 175.35 172.87 3a12 s ALA 361 N -2.75 3.35 0.07 5.17 0.00 -1.26 -4.53 121.76 121.82 3a12 s ALA 361 Ca 0.66 0.50 -0.03 0.00 0.00 0.00 0.00 51.96 53.09 3a12 s ALA 361 Cb -0.21 -3.11 -0.05 0.00 0.00 0.00 0.00 23.12 19.76 3a12 s ALA 361 CO 0.60 0.23 0.27 0.00 0.00 0.00 0.00 175.76 176.86 3a12 s ALA 362 N -1.29 3.92 -0.42 0.00 0.00 -0.09 -0.29 121.76 123.59 3a12 s ALA 362 Ca 0.42 -0.71 -0.29 0.00 0.00 0.00 0.00 51.96 51.37 3a12 s ALA 362 Cb -0.23 -1.96 0.02 0.00 0.00 0.00 0.00 23.12 20.95 3a12 s ALA 362 CO 0.28 0.75 1.21 -0.06 0.00 0.00 0.00 175.76 177.94 3a12 s PHE 363 N -1.51 2.75 0.32 0.00 0.08 0.83 -4.29 117.98 116.16 3a12 s PHE 363 Ca 0.35 0.79 -0.29 0.00 0.12 0.00 0.00 56.93 57.90 3a12 s PHE 363 Cb -0.13 -4.25 -0.11 0.00 -0.57 0.00 0.00 43.02 37.97 3a12 s PHE 363 CO 0.25 -1.41 1.45 -2.14 -0.10 0.00 0.00 175.22 173.26 3a12 s PRO 364 N 4.42 4.21 -0.11 0.24 0.02 -1.26 -1.14 135.00 141.39 3a12 s PRO 364 Ca 0.52 2.43 0.02 0.00 0.02 0.00 0.00 61.00 63.99 3a12 s PRO 364 Cb -0.10 -3.03 -0.01 0.00 0.02 0.00 0.00 34.50 31.37 3a12 s PRO 364 CO 0.29 -0.44 -0.19 0.99 -0.33 0.00 0.00 177.00 177.32 3a12 s THR 365 N -0.68 2.54 -0.16 0.99 2.01 0.13 0.06 115.64 120.52 3a12 s THR 365 Ca 0.55 -0.86 0.00 0.00 0.31 0.00 0.00 61.69 61.70 3a12 s THR 365 Cb -0.44 -2.01 0.00 0.00 0.01 0.00 0.00 72.50 70.06 3a12 s THR 365 CO 0.54 0.55 -0.16 -0.55 -0.69 0.00 0.00 174.62 174.30 3a12 s SER 366 N 0.24 3.51 -0.04 3.53 0.15 0.26 -1.40 113.70 119.94 3a12 s SER 366 Ca -0.12 -0.52 -0.25 0.00 0.70 0.00 0.00 55.95 55.75 3a12 s SER 366 Cb -0.16 -1.54 0.05 0.00 -1.71 0.00 0.00 66.02 62.66 3a12 s SER 366 CO 0.07 0.06 0.55 -0.55 1.20 0.00 0.00 173.24 174.56 3a12 s SER 367 N 0.97 -0.50 0.00 5.45 0.15 -1.26 -1.87 113.70 116.64 3a12 s SER 367 Ca -0.03 0.51 0.00 0.00 0.70 0.00 0.00 55.95 57.14 3a12 s SER 367 Cb -0.15 0.48 0.00 0.00 -1.71 0.00 0.00 66.02 64.64 3a12 s SER 367 CO -0.03 -0.54 0.00 0.61 1.20 0.00 0.00 173.24 174.48 3a12 n GLY 368 N 1.09 1.76 2.12 9.45 0.00 -1.26 -4.56 105.19 113.79 3a12 n GLY 368 Ca -0.20 -0.71 -0.05 0.00 0.00 0.00 0.00 46.02 45.07 3a12 n GLY 368 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a12 n GLY 369 N 0.13 0.57 3.82 -0.02 0.00 -1.26 -0.76 105.19 107.68 3a12 n GLY 369 Ca 0.00 -0.81 -0.36 0.00 0.00 0.00 0.00 46.02 44.85 3a12 n GLY 369 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a12 s LEU 370 N -1.13 4.39 0.24 0.99 1.43 -1.26 -4.47 118.68 118.87 3a12 s LEU 370 Ca 0.00 1.28 -0.04 0.00 -1.03 0.00 0.00 54.13 54.34 3a12 s LEU 370 Cb 0.00 -3.33 -0.02 0.00 0.03 0.00 0.00 46.19 42.87 3a12 s LEU 370 CO 0.00 0.11 0.29 -1.38 0.23 0.00 0.00 176.35 175.61 3a12 s HIS 371 N -1.40 0.96 0.51 0.29 -3.43 -1.26 -3.70 115.29 107.25 3a12 s HIS 371 Ca 0.38 -1.20 0.28 0.00 -0.80 0.00 0.00 55.06 53.72 3a12 s HIS 371 Cb -0.17 -0.29 1.38 0.00 -1.43 0.00 0.00 32.58 32.07 3a12 s HIS 371 CO 0.20 -0.83 1.89 -1.35 -2.00 0.00 0.00 174.74 172.64 3a12 h PRO 372 N 2.40 0.10 -0.00 -0.38 0.11 -1.93 -1.35 132.00 130.95 3a12 h PRO 372 Ca -0.31 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.79 3a12 h PRO 372 Cb 1.25 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3a12 h PRO 372 CO 0.44 0.06 -0.04 0.41 -0.21 0.00 0.00 178.00 178.67 3a12 n GLY 373 N -1.66 -1.20 0.47 -0.55 0.00 -1.26 -3.86 105.19 97.14 3a12 n GLY 373 Ca 0.18 -0.18 0.04 0.00 0.00 0.00 0.00 46.02 46.06 3a12 n GLY 373 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3a12 n ASN 374 N -1.21 0.90 0.05 1.61 6.94 -0.51 -4.41 115.26 118.64 3a12 n ASN 374 Ca 0.14 -2.43 -0.01 0.00 -0.02 0.00 0.00 54.58 52.26 3a12 n ASN 374 Cb 0.25 -0.30 -0.07 0.00 -2.36 0.00 0.00 39.78 37.31 3a12 n ASN 374 CO 0.00 0.00 0.00 0.16 -1.03 0.00 0.00 177.26 176.39 3a12 h ILE 375 N 4.55 0.71 -0.50 1.53 3.07 -1.65 -3.38 117.51 121.84 3a12 h ILE 375 Ca -0.02 -2.23 -0.04 0.00 1.55 0.00 0.00 64.86 64.11 3a12 h ILE 375 Cb 1.31 2.23 -0.02 0.00 -0.27 0.00 0.00 36.82 40.06 3a12 h ILE 375 CO 0.01 0.41 0.13 0.06 -1.05 0.00 0.00 178.15 177.70 3a12 h GLN 376 N 0.00 0.76 -0.34 0.16 -0.00 -1.87 0.81 115.11 114.63 3a12 h GLN 376 Ca -0.12 -0.14 -0.03 0.00 -0.00 0.00 0.00 58.65 58.35 3a12 h GLN 376 Cb 1.59 -0.12 -0.02 0.00 -0.00 0.00 0.00 27.48 28.94 3a12 h GLN 376 CO 0.06 0.68 0.08 -1.35 -0.00 0.00 0.00 178.83 178.30 3a12 h PRO 377 N 0.73 0.50 -0.07 0.06 0.11 -1.93 0.32 132.00 131.72 3a12 h PRO 377 Ca 0.17 -0.08 -0.01 0.00 0.11 0.00 0.00 66.00 66.19 3a12 h PRO 377 Cb 0.26 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 31.29 3a12 h PRO 377 CO -0.00 0.47 0.01 0.28 -0.21 0.00 0.00 178.00 178.54 3a12 h VAL 378 N 0.49 1.21 -0.62 3.15 2.07 -1.12 -2.05 116.25 119.38 3a12 h VAL 378 Ca 0.11 -0.63 -0.07 0.00 0.82 0.00 0.00 66.70 66.93 3a12 h VAL 378 Cb 0.20 1.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.46 3a12 h VAL 378 CO -0.00 0.18 0.10 0.40 0.02 0.00 0.00 177.57 178.27 3a12 h ILE 379 N -0.13 1.25 -0.55 4.57 2.04 -0.62 0.14 117.51 124.22 3a12 h ILE 379 Ca 0.02 -0.99 -0.04 0.00 1.00 0.00 0.00 64.86 64.85 3a12 h ILE 379 Cb 0.27 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 3a12 h ILE 379 CO 0.00 0.37 0.19 -0.08 0.00 0.00 0.00 178.15 178.62 3a12 h GLU 380 N 0.95 0.82 0.15 2.37 4.81 -0.37 0.19 114.58 123.50 3a12 h GLU 380 Ca 0.19 -0.14 -0.29 0.00 -0.13 0.00 0.00 59.36 58.99 3a12 h GLU 380 Cb 0.41 -0.14 0.03 0.00 0.63 0.00 0.00 28.75 29.68 3a12 h GLU 380 CO 0.01 0.70 -1.23 0.00 -0.73 0.00 0.00 179.01 177.76 3a12 h ALA 381 N 1.40 -0.06 0.00 2.92 0.00 -0.95 -3.39 119.26 119.18 3a12 h ALA 381 Ca 0.19 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 54.32 3a12 h ALA 381 Cb 0.22 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3a12 h ALA 381 CO -0.01 0.63 -1.24 1.28 0.00 0.00 0.00 179.25 179.91 3a12 n LEU 382 N -3.84 0.46 0.00 0.00 4.77 0.46 -4.88 117.00 113.98 3a12 n LEU 382 Ca -0.14 -0.28 0.00 0.00 -0.03 0.00 0.00 56.01 55.55 3a12 n LEU 382 Cb 0.98 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.07 3a12 n LEU 382 CO 0.57 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.36 3a12 n GLY 383 N 1.44 -2.33 0.03 -0.72 0.00 0.65 -4.61 105.19 99.65 3a12 n GLY 383 Ca 0.00 -1.64 0.11 0.00 0.00 0.00 0.00 46.02 44.50 3a12 n GLY 383 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3a12 n THR 384 N -0.28 0.14 -1.55 2.61 -2.24 -1.26 -4.48 114.28 107.22 3a12 n THR 384 Ca 0.00 -0.20 -0.41 0.00 -2.27 0.00 0.00 64.05 61.17 3a12 n THR 384 Cb 0.00 0.27 -0.01 0.00 -2.10 0.00 0.00 70.33 68.49 3a12 n THR 384 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3a12 n ASP 385 N -1.88 4.88 -4.04 3.42 8.00 -1.26 -3.00 116.55 122.67 3a12 n ASP 385 Ca 0.02 -2.75 -0.09 0.00 0.71 0.00 0.00 54.79 52.69 3a12 n ASP 385 Cb 0.42 -1.57 -0.09 0.00 -0.02 0.00 0.00 41.12 39.86 3a12 n ASP 385 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3a12 s ILE 386 N 3.14 0.12 -0.16 0.53 -4.36 -1.26 -4.33 121.20 114.88 3a12 s ILE 386 Ca 0.53 -1.62 -0.06 0.00 -0.26 0.00 0.00 60.65 59.24 3a12 s ILE 386 Cb 0.15 -1.77 -0.04 0.00 1.25 0.00 0.00 42.46 42.05 3a12 s ILE 386 CO -0.06 -0.54 0.02 -0.69 0.24 0.00 0.00 174.94 173.90 3a12 s VAL 387 N -3.97 4.43 -0.14 8.37 1.01 0.11 -2.08 120.40 128.13 3a12 s VAL 387 Ca 0.16 -0.17 -0.04 0.00 0.00 0.00 0.00 61.98 61.93 3a12 s VAL 387 Cb 0.06 -2.96 -0.03 0.00 0.00 0.00 0.00 36.38 33.44 3a12 s VAL 387 CO -0.03 0.49 0.01 -0.76 0.00 0.00 0.00 175.10 174.81 3a12 s LEU 388 N 0.22 3.56 -0.14 3.92 1.43 0.14 0.89 118.68 128.70 3a12 s LEU 388 Ca 0.01 0.04 0.02 0.00 -1.03 0.00 0.00 54.13 53.18 3a12 s LEU 388 Cb -0.13 -1.86 0.01 0.00 0.03 0.00 0.00 46.19 44.24 3a12 s LEU 388 CO 0.01 0.25 -0.21 -1.58 0.23 0.00 0.00 176.35 175.05 3a12 s GLN 389 N -0.08 2.91 -0.27 1.70 -0.44 -0.78 -1.86 119.66 120.85 3a12 s GLN 389 Ca 0.04 -0.81 0.01 0.00 -2.50 0.00 0.00 55.36 52.09 3a12 s GLN 389 Cb -0.13 -2.36 0.07 0.00 -1.64 0.00 0.00 33.01 28.96 3a12 s GLN 389 CO 0.02 -0.02 -0.00 -0.51 0.50 0.00 0.00 175.29 175.28 3a12 s LEU 390 N 0.83 2.81 0.00 3.68 1.02 -0.93 -4.17 118.68 121.93 3a12 s LEU 390 Ca -0.07 -1.42 0.00 0.00 0.02 0.00 0.00 54.13 52.66 3a12 s LEU 390 Cb -0.15 -1.17 0.00 0.00 0.02 0.00 0.00 46.19 44.89 3a12 s LEU 390 CO -0.02 -0.30 0.00 0.61 0.02 0.00 0.00 176.35 176.66 3a12 n GLY 391 N 4.65 1.20 0.30 -3.19 0.00 -1.26 -3.90 105.19 102.99 3a12 n GLY 391 Ca -0.07 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.02 3a12 n GLY 391 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3a12 h GLY 392 N 0.00 0.30 1.89 -0.02 0.00 -1.88 -0.54 103.07 102.81 3a12 h GLY 392 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.22 3a12 h GLY 392 CO 0.00 0.10 0.00 0.61 0.00 0.00 0.00 176.54 177.25 3a12 n GLY 393 N -1.52 -0.60 0.62 4.60 0.00 -1.24 -0.64 105.19 106.41 3a12 n GLY 393 Ca 0.01 -0.02 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 3a12 n GLY 393 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3a12 n THR 394 N -1.45 1.07 0.36 2.61 -1.04 -0.31 -4.51 114.28 111.02 3a12 n THR 394 Ca 0.01 0.09 0.14 0.00 -2.04 0.00 0.00 64.05 62.25 3a12 n THR 394 Cb 0.05 -1.82 0.54 0.00 -1.82 0.00 0.00 70.33 67.28 3a12 n THR 394 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3a12 h LEU 395 N -0.45 0.00 -1.24 -4.42 4.07 -1.22 -2.94 115.31 109.11 3a12 h LEU 395 Ca -0.14 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.82 3a12 h LEU 395 Cb 0.81 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.55 3a12 h LEU 395 CO -0.08 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 177.89 3a12 n GLY 396 N 0.19 0.34 3.65 0.83 0.00 0.19 -4.47 105.19 105.92 3a12 n GLY 396 Ca 0.02 -0.50 -0.44 0.00 0.00 0.00 0.00 46.02 45.10 3a12 n GLY 396 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3a12 n HIS 397 N 0.49 1.86 0.26 1.61 -0.00 -1.11 -4.83 115.22 113.49 3a12 n HIS 397 Ca 0.18 0.60 0.16 0.00 -0.00 0.00 0.00 57.72 58.66 3a12 n HIS 397 Cb 0.40 -2.36 0.88 0.00 -0.00 0.00 0.00 29.99 28.92 3a12 n HIS 397 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 3a12 h PRO 398 N 2.59 0.00 -0.21 1.57 0.11 -1.92 -1.55 132.00 132.60 3a12 h PRO 398 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3a12 h PRO 398 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 3a12 h PRO 398 CO 0.64 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.18 3a12 n ASP 399 N -3.79 2.97 0.00 -2.05 8.00 -1.26 -5.09 116.55 115.34 3a12 n ASP 399 Ca -0.01 -1.88 0.00 0.00 0.71 0.00 0.00 54.79 53.61 3a12 n ASP 399 Cb 0.20 -0.13 0.00 0.00 -0.02 0.00 0.00 41.12 41.17 3a12 n ASP 399 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3a12 n GLY 400 N 1.19 2.18 0.15 0.44 0.00 -0.58 -4.63 105.19 103.93 3a12 n GLY 400 Ca 0.14 -2.03 -0.08 0.00 0.00 0.00 0.00 46.02 44.06 3a12 n GLY 400 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3a12 h PRO 401 N 0.00 0.36 -0.39 1.61 0.11 -1.78 -0.50 132.00 131.41 3a12 h PRO 401 Ca 0.00 -0.02 0.07 0.00 0.11 0.00 0.00 66.00 66.16 3a12 h PRO 401 Cb 0.00 -0.08 -0.06 0.00 0.11 0.00 0.00 31.00 30.97 3a12 h PRO 401 CO 0.00 0.24 0.02 0.00 -0.21 0.00 0.00 178.00 178.05 3a12 h ALA 402 N 1.15 0.37 -0.17 -0.75 0.00 -1.89 -0.62 119.26 117.35 3a12 h ALA 402 Ca 0.13 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 3a12 h ALA 402 Cb 0.01 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3a12 h ALA 402 CO -0.07 -0.38 -0.12 0.00 0.00 0.00 0.00 179.25 178.69 3a12 h ALA 403 N 1.34 1.48 -0.67 0.00 0.00 -1.74 -2.47 119.26 117.20 3a12 h ALA 403 Ca 0.19 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 3a12 h ALA 403 Cb 0.27 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3a12 h ALA 403 CO -0.31 0.37 0.19 0.78 0.00 0.00 0.00 179.25 180.28 3a12 h GLY 404 N 0.76 1.13 1.01 0.00 0.00 0.18 -0.80 103.07 105.35 3a12 h GLY 404 Ca 0.05 -0.69 -0.08 0.00 0.00 0.00 0.00 47.33 46.62 3a12 h GLY 404 CO 0.02 0.64 0.02 0.00 0.00 0.00 0.00 176.54 177.22 3a12 h ALA 405 N 1.08 0.68 -0.62 3.60 0.00 -0.78 -1.82 119.26 121.40 3a12 h ALA 405 Ca 0.21 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3a12 h ALA 405 Cb 0.33 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3a12 h ALA 405 CO -0.00 0.48 0.35 0.00 0.00 0.00 0.00 179.25 180.08 3a12 h ARG 406 N 0.75 0.85 -0.29 0.00 3.08 -1.30 -1.87 114.38 115.60 3a12 h ARG 406 Ca 0.15 -0.09 0.03 0.00 0.07 0.00 0.00 59.98 60.14 3a12 h ARG 406 Cb 0.49 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.34 3a12 h ARG 406 CO 0.02 0.63 0.11 0.00 -1.07 0.00 0.00 179.97 179.66 3a12 h ALA 407 N 1.17 0.33 -0.59 0.04 0.00 -0.93 0.18 119.26 119.47 3a12 h ALA 407 Ca 0.22 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 3a12 h ALA 407 Cb 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3a12 h ALA 407 CO -0.04 -0.29 0.29 0.28 0.00 0.00 0.00 179.25 179.49 3a12 h VAL 408 N 0.25 1.21 -0.38 0.00 2.07 -1.12 -0.16 116.25 118.11 3a12 h VAL 408 Ca 0.13 -0.58 -0.07 0.00 0.82 0.00 0.00 66.70 67.00 3a12 h VAL 408 Cb 0.08 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 3a12 h VAL 408 CO -0.12 0.24 -0.05 0.03 0.02 0.00 0.00 177.57 177.69 3a12 h ARG 409 N 0.80 0.63 -0.15 1.57 2.47 -1.11 -1.77 114.38 116.82 3a12 h ARG 409 Ca 0.20 -0.17 -0.01 0.00 -1.26 0.00 0.00 59.98 58.75 3a12 h ARG 409 Cb 0.11 -0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 28.35 3a12 h ARG 409 CO -0.03 0.68 0.07 1.96 0.56 0.00 0.00 179.97 183.22 3a12 h GLN 410 N 0.59 0.22 -0.78 0.04 4.20 -0.30 -0.83 115.11 118.25 3a12 h GLN 410 Ca 0.12 -0.04 0.07 0.00 0.06 0.00 0.00 58.65 58.86 3a12 h GLN 410 Cb 0.44 -0.04 -0.06 0.00 0.30 0.00 0.00 27.48 28.12 3a12 h GLN 410 CO 0.02 0.28 0.45 0.00 -0.67 0.00 0.00 178.83 178.92 3a12 h ALA 411 N 0.93 1.08 -0.18 3.87 0.00 -0.81 -1.00 119.26 123.15 3a12 h ALA 411 Ca 0.05 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3a12 h ALA 411 Cb 0.14 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3a12 h ALA 411 CO -0.01 0.13 0.02 0.82 0.00 0.00 0.00 179.25 180.21 3a12 h ILE 412 N 0.80 1.24 -0.53 0.00 2.04 -1.09 -1.13 117.51 118.84 3a12 h ILE 412 Ca 0.36 -0.78 0.10 0.00 1.00 0.00 0.00 64.86 65.53 3a12 h ILE 412 Cb 0.25 1.40 -0.08 0.00 -0.74 0.00 0.00 36.82 37.65 3a12 h ILE 412 CO -0.20 0.24 0.07 0.44 0.00 0.00 0.00 178.15 178.69 3a12 h ASP 413 N 0.08 -0.08 -0.79 1.72 3.32 -0.76 0.68 116.42 120.60 3a12 h ASP 413 Ca 0.05 0.11 0.03 0.00 0.02 0.00 0.00 57.03 57.24 3a12 h ASP 413 Cb 0.34 0.16 -0.05 0.00 0.22 0.00 0.00 39.33 40.01 3a12 h ASP 413 CO 0.01 -0.02 0.50 0.00 -1.72 0.00 0.00 179.24 178.01 3a12 h ALA 414 N 1.44 1.03 -0.37 3.45 0.00 -0.98 -2.13 119.26 121.68 3a12 h ALA 414 Ca 0.27 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 55.00 3a12 h ALA 414 Cb 0.39 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3a12 h ALA 414 CO -0.38 0.33 -0.34 0.82 0.00 0.00 0.00 179.25 179.67 3a12 h ILE 415 N 0.99 1.28 0.00 0.00 2.04 -0.37 -1.18 117.51 120.27 3a12 h ILE 415 Ca 0.31 -1.51 -0.01 0.00 1.00 0.00 0.00 64.86 64.65 3a12 h ILE 415 Cb -0.01 1.40 -0.00 0.00 -0.74 0.00 0.00 36.82 37.47 3a12 h ILE 415 CO -0.10 0.50 -0.04 0.24 0.00 0.00 0.00 178.15 178.75 3a12 h MET 416 N 0.70 0.00 0.00 2.37 2.86 -0.61 -2.73 114.93 117.52 3a12 h MET 416 Ca 0.06 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 3a12 h MET 416 Cb 0.93 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.59 3a12 h MET 416 CO 0.09 0.04 -1.14 1.04 1.06 0.00 0.00 176.91 177.99 3a12 n GLN 417 N -4.00 0.53 -0.29 1.72 6.02 -0.83 -4.96 117.38 115.57 3a12 n GLN 417 Ca -0.03 0.04 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 3a12 n GLN 417 Cb 0.12 -1.72 0.00 0.00 1.02 0.00 0.00 30.24 29.66 3a12 n GLN 417 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3a12 n GLY 418 N 1.24 0.80 3.67 1.08 0.00 -0.77 -5.06 105.19 106.14 3a12 n GLY 418 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3a12 n GLY 418 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a12 s ILE 419 N -2.16 4.94 0.38 -0.61 1.01 -0.52 -5.02 121.20 119.23 3a12 s ILE 419 Ca 0.00 1.43 -0.27 0.00 0.00 0.00 0.00 60.65 61.81 3a12 s ILE 419 Cb 0.00 -4.05 -0.11 0.00 0.01 0.00 0.00 42.46 38.31 3a12 s ILE 419 CO 0.00 0.07 1.35 -2.65 0.00 0.00 0.00 174.94 173.71 3a12 n PRO 420 N 5.14 2.24 -0.26 2.79 -0.02 -1.26 -4.22 135.00 139.41 3a12 n PRO 420 Ca 0.02 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 3a12 n PRO 420 Cb 0.49 -2.47 0.12 0.00 -0.02 0.00 0.00 33.50 31.63 3a12 n PRO 420 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3a12 h LEU 421 N 2.51 0.62 -1.06 2.45 -0.00 -1.95 -1.36 115.31 116.52 3a12 h LEU 421 Ca -0.48 0.03 0.06 0.00 -0.00 0.00 0.00 57.88 57.49 3a12 h LEU 421 Cb 1.27 -0.09 -0.06 0.00 -0.00 0.00 0.00 40.66 41.78 3a12 h LEU 421 CO 0.62 0.39 0.63 0.44 -0.00 0.00 0.00 178.44 180.52 3a12 h ASP 422 N 0.75 1.00 0.36 -0.43 3.32 -2.00 -0.09 116.42 119.33 3a12 h ASP 422 Ca 0.34 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.38 3a12 h ASP 422 Cb 0.24 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.58 3a12 h ASP 422 CO -0.20 0.64 -0.17 -0.33 -1.72 0.00 0.00 179.24 177.46 3a12 h GLU 423 N 1.14 -0.46 -1.08 3.56 4.39 -1.72 -3.30 114.58 117.11 3a12 h GLU 423 Ca 0.41 0.03 0.29 0.00 0.34 0.00 0.00 59.36 60.44 3a12 h GLU 423 Cb 0.16 0.11 -0.09 0.00 -0.10 0.00 0.00 28.75 28.82 3a12 h GLU 423 CO -0.16 -0.31 0.71 -0.92 -1.16 0.00 0.00 179.01 177.17 3a12 h TYR 424 N -0.80 0.58 -0.40 4.33 3.20 -1.17 0.17 116.97 122.88 3a12 h TYR 424 Ca -0.05 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.83 3a12 h TYR 424 Cb 0.37 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.45 3a12 h TYR 424 CO 0.04 0.02 0.20 0.00 -1.64 0.00 0.00 178.16 176.78 3a12 h ALA 425 N 1.60 1.60 -0.74 1.82 0.00 -1.09 -2.56 119.26 119.90 3a12 h ALA 425 Ca 0.62 -0.08 0.19 0.00 0.00 0.00 0.00 54.91 55.64 3a12 h ALA 425 Cb 1.70 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 19.29 3a12 h ALA 425 CO -0.28 0.33 0.52 0.87 0.00 0.00 0.00 179.25 180.68 3a12 h LYS 426 N 0.56 0.15 -0.25 0.00 1.57 -0.72 -1.13 116.57 116.75 3a12 h LYS 426 Ca 0.14 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.86 3a12 h LYS 426 Cb 0.05 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 3a12 h LYS 426 CO -0.02 0.10 -0.03 0.25 -0.57 0.00 0.00 179.45 179.18 3a12 n THR 427 N -4.39 2.31 -3.52 -0.16 -2.24 -0.97 -4.88 114.28 100.42 3a12 n THR 427 Ca 0.15 -2.20 -0.26 0.00 -2.27 0.00 0.00 64.05 59.47 3a12 n THR 427 Cb 0.71 -0.27 -0.14 0.00 -2.10 0.00 0.00 70.33 68.52 3a12 n THR 427 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3a12 s HIS 428 N -2.96 0.13 0.14 4.78 3.76 -0.43 -5.05 115.29 115.66 3a12 s HIS 428 Ca 0.41 -0.62 -0.22 0.00 -0.15 0.00 0.00 55.06 54.49 3a12 s HIS 428 Cb 0.35 -0.77 -0.00 0.00 1.11 0.00 0.00 32.58 33.28 3a12 s HIS 428 CO 0.05 -0.79 1.66 1.57 -0.85 0.00 0.00 174.74 176.38 3a12 h LYS 429 N 8.38 -0.20 -0.53 1.40 -0.00 -1.90 -0.90 116.57 122.82 3a12 h LYS 429 Ca -0.18 0.01 0.06 0.00 -0.00 0.00 0.00 60.65 60.55 3a12 h LYS 429 Cb 1.05 0.04 -0.06 0.00 -0.00 0.00 0.00 32.23 33.27 3a12 h LYS 429 CO 0.39 -0.13 0.23 0.93 -0.00 0.00 0.00 179.45 180.87 3a12 h GLU 430 N -0.21 0.42 -0.49 0.07 3.07 -1.93 0.50 114.58 116.03 3a12 h GLU 430 Ca 0.11 -0.03 -0.08 0.00 -0.50 0.00 0.00 59.36 58.87 3a12 h GLU 430 Cb 0.37 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.16 3a12 h GLU 430 CO -0.29 0.28 -0.01 1.25 -1.40 0.00 0.00 179.01 178.84 3a12 h LEU 431 N 0.44 0.79 -0.42 1.33 5.85 -1.70 -2.16 115.31 119.43 3a12 h LEU 431 Ca 0.25 -0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 3a12 h LEU 431 Cb 0.24 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 3a12 h LEU 431 CO -0.22 0.86 0.16 0.00 -0.34 0.00 0.00 178.44 178.89 3a12 h ALA 432 N 1.23 0.55 -0.49 1.25 0.00 -0.02 -1.91 119.26 119.87 3a12 h ALA 432 Ca 0.15 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3a12 h ALA 432 Cb 0.47 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3a12 h ALA 432 CO 0.02 0.17 0.17 0.00 0.00 0.00 0.00 179.25 179.61 3a12 h ARG 433 N 0.54 0.71 -0.42 0.00 2.47 -0.76 0.68 114.38 117.60 3a12 h ARG 433 Ca 0.14 -0.11 -0.07 0.00 -1.26 0.00 0.00 59.98 58.68 3a12 h ARG 433 Cb 0.22 -0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 28.40 3a12 h ARG 433 CO -0.01 0.60 -0.01 0.00 0.56 0.00 0.00 179.97 181.11 3a12 h ALA 434 N 1.49 0.56 -0.30 0.04 0.00 -1.13 -2.55 119.26 117.37 3a12 h ALA 434 Ca 0.17 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 3a12 h ALA 434 Cb 0.18 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3a12 h ALA 434 CO -0.01 0.36 -0.04 -0.07 0.00 0.00 0.00 179.25 179.49 3a12 h LEU 435 N 0.58 0.44 -1.06 0.00 3.38 -0.82 -0.88 115.31 116.95 3a12 h LEU 435 Ca 0.12 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 3a12 h LEU 435 Cb 0.50 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 3a12 h LEU 435 CO 0.02 0.53 0.16 -0.08 0.09 0.00 0.00 178.44 179.16 3a12 h GLU 436 N 0.44 0.84 0.17 1.13 4.81 -0.54 0.29 114.58 121.72 3a12 h GLU 436 Ca 0.09 -0.16 -0.30 0.00 -0.13 0.00 0.00 59.36 58.87 3a12 h GLU 436 Cb 0.35 -0.13 0.01 0.00 0.63 0.00 0.00 28.75 29.61 3a12 h GLU 436 CO 0.01 0.73 -1.45 -0.22 -0.73 0.00 0.00 179.01 177.36 3a12 h LYS 437 N 0.81 0.36 0.00 1.92 3.64 -1.06 -3.41 116.57 118.83 3a12 h LYS 437 Ca 0.18 -0.62 0.00 0.00 -1.27 0.00 0.00 60.65 58.95 3a12 h LYS 437 Cb 0.26 0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 3a12 h LYS 437 CO -0.01 1.30 -1.07 0.91 -2.27 0.00 0.00 179.45 178.31 3a12 n TRP 438 N -3.81 0.00 -2.04 1.91 8.01 -0.37 -5.08 117.44 116.06 3a12 n TRP 438 Ca -0.22 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 55.97 3a12 n TRP 438 Cb 0.99 -0.13 0.00 0.00 -2.01 0.00 0.00 31.31 30.16 3a12 n TRP 438 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3a12 n GLY 439 N 1.80 3.12 1.29 6.99 0.00 0.10 -2.08 105.19 116.41 3a12 n GLY 439 Ca -0.01 -0.21 -0.08 0.00 0.00 0.00 0.00 46.02 45.72 3a12 n GLY 439 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3a12 n HIS 440 N 14.00 1.31 -2.64 1.61 8.25 -1.26 -4.16 115.22 132.33 3a12 n HIS 440 Ca 0.00 -1.83 -0.41 0.00 -0.26 0.00 0.00 57.72 55.22 3a12 n HIS 440 Cb 0.00 -0.43 -0.04 0.00 1.12 0.00 0.00 29.99 30.63 3a12 n HIS 440 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3a12 s VAL 441 N -3.71 4.17 -0.48 1.59 0.11 -0.88 -4.80 120.40 116.40 3a12 s VAL 441 Ca 0.45 1.89 -0.28 0.00 -2.93 0.00 0.00 61.98 61.11 3a12 s VAL 441 Cb 0.40 -4.20 0.03 0.00 -1.53 0.00 0.00 36.38 31.08 3a12 s VAL 441 CO -0.01 0.33 1.10 -0.89 -3.33 0.00 0.00 175.10 172.29 3a12 s THR 442 N -0.29 4.24 0.44 5.04 2.01 -1.26 -4.84 115.64 120.99 3a12 s THR 442 Ca 0.47 1.09 -0.24 0.00 0.31 0.00 0.00 61.69 63.32 3a12 s THR 442 Cb -0.26 -4.58 -0.08 0.00 0.01 0.00 0.00 72.50 67.59 3a12 s THR 442 CO 0.32 -1.01 1.27 -2.84 -0.69 0.00 0.00 174.62 171.68 3a12 s PRO 443 N 4.36 3.77 0.00 4.92 0.02 -1.26 -5.00 135.00 141.81 3a12 s PRO 443 Ca 0.45 2.06 0.00 0.00 0.02 0.00 0.00 61.00 63.53 3a12 s PRO 443 Cb -0.08 -2.58 0.00 0.00 0.02 0.00 0.00 34.50 31.87 3a12 s PRO 443 CO 0.30 -0.62 0.07 0.28 -0.33 0.00 0.00 177.00 176.71