#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a12 h ASP 10 N 0.00 0.00 0.20 7.72 3.32 -1.92 -2.74 116.42 123.00 3a12 h ASP 10 Ca 0.00 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 3a12 h ASP 10 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3a12 h ASP 10 CO 0.00 0.04 -0.20 0.22 -1.72 0.00 0.00 179.24 177.59 3a12 h TYR 11 N 0.00 0.00 -0.20 4.55 3.20 -2.00 -2.98 116.97 119.54 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 0.30 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.57 3a12 h TYR 11 CO 0.00 0.20 0.00 0.66 -1.64 0.00 0.00 178.16 177.38 3a12 n TYR 12 N -4.28 0.26 -4.21 -3.82 4.01 -1.03 -4.76 117.16 103.33 3a12 n TYR 12 Ca -0.02 -0.13 -0.34 0.00 -0.16 0.00 0.00 57.90 57.24 3a12 n TYR 12 Cb 0.26 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.18 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 -1.74 4.38 -0.42 -0.72 1.01 -1.13 0.57 120.40 122.36 3a12 s VAL 13 Ca 0.31 -0.19 0.05 0.00 0.00 0.00 0.00 61.98 62.16 3a12 s VAL 13 Cb 0.17 -2.94 0.17 0.00 0.00 0.00 0.00 36.38 33.78 3a12 s VAL 13 CO 0.25 0.49 0.51 -0.62 0.00 0.00 0.00 175.10 175.73 3a12 s ASP 14 N 0.20 -0.05 0.43 3.32 -1.08 -0.00 -4.91 116.67 114.58 3a12 s ASP 14 Ca 0.01 -1.61 0.30 0.00 -0.52 0.00 0.00 52.55 50.73 3a12 s ASP 14 Cb -0.13 1.08 1.47 0.00 -1.46 0.00 0.00 42.92 43.88 3a12 s ASP 14 CO 0.02 -0.18 1.90 0.11 0.52 0.00 0.00 175.17 177.54 3a12 h LYS 15 N 6.41 0.00 -0.62 4.34 1.57 -1.77 -1.70 116.57 124.80 3a12 h LYS 15 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 3a12 h LYS 15 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.39 3a12 h LYS 15 CO 0.15 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.44 3a12 n GLY 16 N -0.68 1.97 3.72 3.86 0.00 -1.26 -4.83 105.19 107.96 3a12 n GLY 16 Ca -0.01 -0.67 -0.41 0.00 0.00 0.00 0.00 46.02 44.93 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 -1.34 3.68 -0.25 1.61 5.04 -0.64 -5.05 117.35 120.40 3a12 s TYR 17 Ca 0.41 1.61 -0.07 0.00 -2.44 0.00 0.00 57.07 56.58 3a12 s TYR 17 Cb 0.23 -3.02 -0.03 0.00 0.35 0.00 0.00 41.96 39.49 3a12 s TYR 17 CO 0.26 0.07 0.08 -1.21 -1.34 0.00 0.00 175.55 173.41 3a12 s GLU 18 N 0.68 3.63 0.39 4.97 0.41 -1.26 -4.92 118.70 122.60 3a12 s GLU 18 Ca 0.47 -0.50 -0.25 0.00 -0.41 0.00 0.00 54.97 54.29 3a12 s GLU 18 Cb -0.21 -3.34 -0.09 0.00 -1.78 0.00 0.00 34.13 28.71 3a12 s GLU 18 CO 0.26 -0.21 1.08 -1.25 -0.49 0.00 0.00 175.26 174.66 3a12 s PRO 19 N 1.61 4.17 -0.25 0.39 0.04 -1.26 -5.00 135.00 134.70 3a12 s PRO 19 Ca 0.06 1.61 -0.25 0.00 0.04 0.00 0.00 61.00 62.47 3a12 s PRO 19 Cb -0.15 -2.62 -0.00 0.00 0.04 0.00 0.00 34.50 31.76 3a12 s PRO 19 CO 0.04 -0.16 0.85 0.45 0.04 0.00 0.00 177.00 178.22 3a12 s SER 20 N -1.41 6.83 0.57 6.66 0.15 -1.26 -4.93 113.70 120.31 3a12 s SER 20 Ca 0.57 1.01 0.27 0.00 0.70 0.00 0.00 55.95 58.50 3a12 s SER 20 Cb -0.25 -2.44 1.52 0.00 -1.71 0.00 0.00 66.02 63.14 3a12 s SER 20 CO 0.31 -0.55 2.04 0.11 1.20 0.00 0.00 173.24 176.35 3a12 h LYS 21 N 7.73 0.00 0.00 5.44 1.57 -1.94 -1.33 116.57 128.04 3a12 h LYS 21 Ca -0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 3a12 h LYS 21 Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.40 3a12 h LYS 21 CO 0.89 0.00 -1.83 1.63 -0.57 0.00 0.00 179.45 179.57 3a12 n LYS 22 N -4.01 0.64 -0.00 3.15 4.76 -1.26 -4.55 118.16 116.88 3a12 n LYS 22 Ca 0.05 -0.15 0.01 0.00 -2.87 0.00 0.00 58.31 55.35 3a12 n LYS 22 Cb 0.44 -1.56 -0.01 0.00 -1.84 0.00 0.00 35.03 32.06 3a12 n LYS 22 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3a12 n ARG 23 N -2.30 4.55 -4.51 1.97 1.74 -1.01 -4.64 116.66 112.47 3a12 n ARG 23 Ca -0.03 -0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.70 3a12 n ARG 23 Cb 0.56 -0.72 -0.11 0.00 -1.02 0.00 0.00 32.46 31.18 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 -1.47 4.84 -0.01 0.55 1.01 -0.53 -0.78 116.67 120.29 3a12 s ASP 24 Ca 0.00 0.00 -0.19 0.00 0.71 0.00 0.00 52.55 53.08 3a12 s ASP 24 Cb 0.01 -1.39 -0.06 0.00 1.01 0.00 0.00 42.92 42.50 3a12 s ASP 24 CO 0.07 0.32 0.53 -0.63 0.21 0.00 0.00 175.17 175.68 3a12 s ILE 25 N -0.57 4.94 -0.21 0.77 1.01 0.31 -4.11 121.20 123.35 3a12 s ILE 25 Ca 0.09 1.11 0.02 0.00 0.00 0.00 0.00 60.65 61.86 3a12 s ILE 25 Cb -0.12 -3.86 0.03 0.00 0.01 0.00 0.00 42.46 38.52 3a12 s ILE 25 CO 0.02 0.46 -0.17 -0.63 0.00 0.00 0.00 174.94 174.63 3a12 s ILE 26 N -0.43 2.12 -0.12 2.92 1.01 -1.03 0.44 121.20 126.11 3a12 s ILE 26 Ca 0.28 -1.15 -0.17 0.00 0.00 0.00 0.00 60.65 59.61 3a12 s ILE 26 Cb -0.18 -2.01 -0.04 0.00 0.01 0.00 0.00 42.46 40.24 3a12 s ILE 26 CO 0.16 0.36 0.43 0.00 0.00 0.00 0.00 174.94 175.89 3a12 s ALA 27 N 1.23 3.51 -0.33 9.38 0.00 -0.05 0.02 121.76 135.53 3a12 s ALA 27 Ca 0.01 -0.25 -0.08 0.00 0.00 0.00 0.00 51.96 51.63 3a12 s ALA 27 Cb -0.15 -2.58 0.02 0.00 0.00 0.00 0.00 23.12 20.41 3a12 s ALA 27 CO -0.10 0.04 0.13 0.08 0.00 0.00 0.00 175.76 175.91 3a12 s VAL 28 N 0.51 4.22 -0.02 0.00 1.01 -0.13 -1.03 120.40 124.96 3a12 s VAL 28 Ca 0.24 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.45 3a12 s VAL 28 Cb -0.15 -3.27 -0.03 0.00 0.00 0.00 0.00 36.38 32.93 3a12 s VAL 28 CO 0.09 -0.06 -0.03 -0.36 0.00 0.00 0.00 175.10 174.73 3a12 s PHE 29 N 1.52 3.00 -0.41 5.22 0.08 -0.08 0.15 117.98 127.45 3a12 s PHE 29 Ca 0.02 0.05 -0.18 0.00 0.12 0.00 0.00 56.93 56.94 3a12 s PHE 29 Cb -0.18 -1.67 0.02 0.00 -0.57 0.00 0.00 43.02 40.62 3a12 s PHE 29 CO 0.04 0.41 0.46 0.50 -0.10 0.00 0.00 175.22 176.54 3a12 s ARG 30 N -1.31 3.19 -0.15 0.44 3.52 0.73 0.47 118.95 125.84 3a12 s ARG 30 Ca 0.17 -0.64 -0.04 0.00 -0.13 0.00 0.00 55.73 55.09 3a12 s ARG 30 Cb -0.11 -3.94 -0.03 0.00 -1.56 0.00 0.00 34.95 29.31 3a12 s ARG 30 CO 0.07 -0.83 -0.02 0.08 -0.81 0.00 0.00 175.30 173.79 3a12 s VAL 31 N 2.24 4.09 -0.35 7.11 1.01 0.65 -1.34 120.40 133.82 3a12 s VAL 31 Ca 0.14 -0.29 0.01 0.00 0.00 0.00 0.00 61.98 61.84 3a12 s VAL 31 Cb -0.16 -2.80 0.09 0.00 0.00 0.00 0.00 36.38 33.51 3a12 s VAL 31 CO 0.14 0.50 0.07 -0.89 0.00 0.00 0.00 175.10 174.92 3a12 s THR 32 N 0.25 2.64 0.50 3.92 2.01 -0.41 -0.20 115.64 124.36 3a12 s THR 32 Ca -0.01 -2.06 -0.22 0.00 0.31 0.00 0.00 61.69 59.71 3a12 s THR 32 Cb -0.14 -2.80 -0.06 0.00 0.01 0.00 0.00 72.50 69.51 3a12 s THR 32 CO 0.02 -0.50 1.20 -2.16 -0.69 0.00 0.00 174.62 172.49 3a12 s PRO 33 N 1.04 3.49 0.77 4.92 0.04 -1.26 0.24 135.00 144.24 3a12 s PRO 33 Ca 0.06 1.84 -0.11 0.00 0.04 0.00 0.00 61.00 62.83 3a12 s PRO 33 Cb -0.20 -2.26 0.06 0.00 0.04 0.00 0.00 34.50 32.13 3a12 s PRO 33 CO -0.06 -0.79 1.09 0.00 0.04 0.00 0.00 177.00 177.29 3a12 s ALA 34 N -1.54 2.24 0.13 8.56 0.00 -0.67 -4.29 121.76 126.19 3a12 s ALA 34 Ca 0.68 0.29 -0.32 0.00 0.00 0.00 0.00 51.96 52.61 3a12 s ALA 34 Cb -0.30 -3.28 -0.12 0.00 0.00 0.00 0.00 23.12 19.42 3a12 s ALA 34 CO 0.36 -1.77 1.77 -1.91 0.00 0.00 0.00 175.76 174.20 3a12 n GLU 35 N -3.49 2.60 0.00 0.00 4.07 -1.26 -2.21 120.64 120.34 3a12 n GLU 35 Ca 0.09 0.94 0.00 0.00 -0.06 0.00 0.00 57.16 58.13 3a12 n GLU 35 Cb 0.53 -2.80 0.00 0.00 -0.06 0.00 0.00 31.44 29.11 3a12 n GLU 35 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3a12 n GLY 36 N 4.03 0.67 3.14 8.31 0.00 -1.26 -5.10 105.19 114.99 3a12 n GLY 36 Ca 0.18 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.00 1.31 0.60 1.61 2.02 -0.94 -5.14 117.35 114.81 3a12 s TYR 37 Ca 0.00 -0.31 -0.09 0.00 -0.37 0.00 0.00 57.07 56.31 3a12 s TYR 37 Cb 0.00 -0.81 -0.02 0.00 -0.40 0.00 0.00 41.96 40.73 3a12 s TYR 37 CO 0.00 0.02 0.96 0.95 -1.57 0.00 0.00 175.55 175.91 3a12 s THR 38 N -0.62 4.30 0.37 -0.71 -4.23 -1.26 -4.71 115.64 108.78 3a12 s THR 38 Ca 0.04 0.47 0.07 0.00 -1.18 0.00 0.00 61.69 61.09 3a12 s THR 38 Cb -0.07 -3.71 0.30 0.00 1.34 0.00 0.00 72.50 70.36 3a12 s THR 38 CO 0.01 -0.84 1.95 -0.29 -0.54 0.00 0.00 174.62 174.91 3a12 h ILE 39 N -0.24 1.00 -0.11 2.99 6.09 -1.98 -1.62 117.51 123.64 3a12 h ILE 39 Ca -0.45 -0.25 -0.01 0.00 -1.37 0.00 0.00 64.86 62.79 3a12 h ILE 39 Cb 1.22 0.21 -0.00 0.00 0.47 0.00 0.00 36.82 38.72 3a12 h ILE 39 CO 0.62 0.13 0.04 -0.33 -3.07 0.00 0.00 178.15 175.55 3a12 h GLU 40 N 0.72 0.16 -0.16 2.19 3.07 -1.98 0.13 114.58 118.70 3a12 h GLU 40 Ca 0.32 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 59.13 3a12 h GLU 40 Cb 0.32 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.19 3a12 h GLU 40 CO -0.11 0.26 0.02 1.96 -1.40 0.00 0.00 179.01 179.74 3a12 h GLN 41 N 0.02 0.23 0.04 2.33 4.20 -1.80 0.10 115.11 120.23 3a12 h GLN 41 Ca 0.04 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.66 3a12 h GLN 41 Cb 0.16 -0.04 0.01 0.00 0.30 0.00 0.00 27.48 27.90 3a12 h GLN 41 CO -0.00 0.24 -0.26 0.00 -0.67 0.00 0.00 178.83 178.13 3a12 h ALA 42 N 1.80 -0.02 -0.08 3.87 0.00 -1.06 -2.81 119.26 120.95 3a12 h ALA 42 Ca 0.06 -0.55 -0.04 0.00 0.00 0.00 0.00 54.91 54.38 3a12 h ALA 42 Cb 0.13 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3a12 h ALA 42 CO 0.00 0.11 -0.12 0.00 0.00 0.00 0.00 179.25 179.24 3a12 h ALA 43 N 0.07 1.65 -0.32 0.00 0.00 -0.67 -1.26 119.26 118.73 3a12 h ALA 43 Ca -0.04 -0.16 -0.14 0.00 0.00 0.00 0.00 54.91 54.57 3a12 h ALA 43 Cb 1.17 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 3a12 h ALA 43 CO 0.05 0.26 -0.36 0.78 0.00 0.00 0.00 179.25 179.97 3a12 h GLY 44 N 0.57 0.80 0.90 0.00 0.00 -1.04 -1.37 103.07 102.93 3a12 h GLY 44 Ca 0.03 -0.78 -0.02 0.00 0.00 0.00 0.00 47.33 46.56 3a12 h GLY 44 CO 0.02 0.71 0.09 0.00 0.00 0.00 0.00 176.54 177.36 3a12 h ALA 45 N 0.98 0.33 -0.90 3.60 0.00 -1.08 -0.04 119.26 122.16 3a12 h ALA 45 Ca 0.06 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3a12 h ALA 45 Cb 0.90 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 3a12 h ALA 45 CO 0.08 -0.06 0.53 0.28 0.00 0.00 0.00 179.25 180.09 3a12 h VAL 46 N 0.26 1.25 -0.16 0.00 2.07 -1.10 0.07 116.25 118.63 3a12 h VAL 46 Ca 0.08 -0.56 -0.14 0.00 0.82 0.00 0.00 66.70 66.91 3a12 h VAL 46 Cb 0.21 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 29.97 3a12 h VAL 46 CO -0.00 0.27 -0.44 0.00 0.02 0.00 0.00 177.57 177.41 3a12 h ALA 47 N 1.29 0.27 0.40 1.67 0.00 -1.16 -2.31 119.26 119.42 3a12 h ALA 47 Ca 0.32 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3a12 h ALA 47 Cb -0.04 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3a12 h ALA 47 CO -0.06 0.40 -0.31 0.00 0.00 0.00 0.00 179.25 179.28 3a12 h ALA 48 N 0.55 -0.71 0.00 0.00 0.00 -0.79 -2.60 119.26 115.71 3a12 h ALA 48 Ca -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3a12 h ALA 48 Cb 1.06 0.42 0.00 0.00 0.00 0.00 0.00 17.79 19.26 3a12 h ALA 48 CO 0.09 -0.93 0.00 0.39 0.00 0.00 0.00 179.25 178.81 3a12 n GLU 49 N -5.43 0.08 -0.04 0.00 -0.58 -0.01 -0.14 120.64 114.52 3a12 n GLU 49 Ca -0.10 0.17 0.12 0.00 -0.42 0.00 0.00 57.16 56.93 3a12 n GLU 49 Cb 0.33 -1.61 0.14 0.00 -0.57 0.00 0.00 31.44 29.73 3a12 n GLU 49 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 3a12 n SER 50 N -1.76 3.06 0.00 1.62 3.41 -0.87 -4.79 113.62 114.29 3a12 n SER 50 Ca 0.05 -1.98 0.00 0.00 -0.26 0.00 0.00 58.87 56.68 3a12 n SER 50 Cb 0.30 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.19 3a12 n SER 50 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3a12 n SER 51 N 1.35 0.00 -0.22 4.04 3.41 -0.91 -4.47 113.62 116.83 3a12 n SER 51 Ca 0.15 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.81 3a12 n SER 51 Cb 0.59 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.55 3a12 n SER 51 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3a12 n THR 52 N 0.00 0.00 -1.74 6.66 -2.24 -1.13 -5.04 114.28 110.80 3a12 n THR 52 Ca 0.00 -0.42 -0.22 0.00 -2.27 0.00 0.00 64.05 61.14 3a12 n THR 52 Cb 0.00 1.11 0.15 0.00 -2.10 0.00 0.00 70.33 69.50 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 0.81 -1.34 3.53 3.38 0.00 0.80 -5.03 105.19 107.33 3a12 n GLY 53 Ca 0.04 -1.71 -0.10 0.00 0.00 0.00 0.00 46.02 44.24 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 -3.19 0.01 -1.86 2.61 -1.32 -1.26 -4.73 115.64 105.90 3a12 s THR 54 Ca 0.57 -0.48 0.30 0.00 -1.21 0.00 0.00 61.69 60.87 3a12 s THR 54 Cb -0.02 -1.39 0.61 0.00 -1.51 0.00 0.00 72.50 70.20 3a12 s THR 54 CO 0.40 -0.06 1.97 -2.67 -2.21 0.00 0.00 174.62 172.05 3a12 n TRP 55 N -0.37 0.00 -3.89 9.09 4.27 -1.26 -4.82 117.44 120.46 3a12 n TRP 55 Ca -0.12 0.00 -0.10 0.00 -3.89 0.00 0.00 57.50 53.38 3a12 n TRP 55 Cb 0.63 -0.11 -0.09 0.00 -1.36 0.00 0.00 31.31 30.37 3a12 n TRP 55 CO 0.00 0.00 0.00 -0.08 -2.29 0.00 0.00 177.69 175.32 3a12 s THR 56 N -2.27 0.11 0.02 -1.67 -1.32 -1.26 -5.04 115.64 104.20 3a12 s THR 56 Ca 0.36 -0.87 -0.35 0.00 -1.21 0.00 0.00 61.69 59.61 3a12 s THR 56 Cb 0.21 -0.66 -0.14 0.00 -1.51 0.00 0.00 72.50 70.40 3a12 s THR 56 CO 0.42 -0.48 1.65 0.35 -2.21 0.00 0.00 174.62 174.35 3a12 n THR 57 N 1.11 0.22 -2.77 5.08 -2.24 -1.26 -4.93 114.28 109.49 3a12 n THR 57 Ca -0.21 -0.04 -0.32 0.00 -2.27 0.00 0.00 64.05 61.21 3a12 n THR 57 Cb 0.57 -1.48 -0.05 0.00 -2.10 0.00 0.00 70.33 67.27 3a12 n THR 57 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 3a12 s LEU 58 N 2.13 3.84 0.03 3.22 -0.00 -1.26 -5.06 118.68 121.58 3a12 s LEU 58 Ca 0.86 1.43 -0.24 0.00 -0.00 0.00 0.00 54.13 56.19 3a12 s LEU 58 Cb -0.78 -4.31 -0.05 0.00 -0.00 0.00 0.00 46.19 41.05 3a12 s LEU 58 CO 0.47 -0.41 0.72 -0.47 -0.00 0.00 0.00 176.35 176.66 3a12 s TYR 59 N -2.32 3.71 -0.83 3.48 5.04 -1.26 -5.00 117.35 120.17 3a12 s TYR 59 Ca 0.57 1.39 -0.25 0.00 -2.44 0.00 0.00 57.07 56.33 3a12 s TYR 59 Cb -0.10 -2.76 0.03 0.00 0.35 0.00 0.00 41.96 39.48 3a12 s TYR 59 CO 0.24 0.29 1.45 -1.25 -1.34 0.00 0.00 175.55 174.93 3a12 s PRO 60 N -0.06 3.21 0.00 4.97 0.04 -1.26 -4.69 135.00 137.21 3a12 s PRO 60 Ca 0.36 -0.43 0.00 0.00 0.04 0.00 0.00 61.00 60.97 3a12 s PRO 60 Cb -0.20 -4.64 0.00 0.00 0.04 0.00 0.00 34.50 29.70 3a12 s PRO 60 CO 0.21 -2.32 0.78 -2.67 0.04 0.00 0.00 177.00 173.04 3a12 n TRP 61 N 9.92 0.00 -4.11 0.56 4.27 -1.26 -5.07 117.44 121.75 3a12 n TRP 61 Ca 0.17 -0.30 -0.11 0.00 -3.89 0.00 0.00 57.50 53.37 3a12 n TRP 61 Cb 0.50 -0.03 -0.10 0.00 -1.36 0.00 0.00 31.31 30.31 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 -0.61 0.73 -0.00 -2.67 -0.85 -1.26 -5.10 117.35 107.60 3a12 s TYR 62 Ca 0.00 -0.79 -0.31 0.00 -0.52 0.00 0.00 57.07 55.46 3a12 s TYR 62 Cb 0.00 -0.44 -0.09 0.00 0.38 0.00 0.00 41.96 41.80 3a12 s TYR 62 CO 0.00 -0.16 1.98 -1.91 -1.52 0.00 0.00 175.55 173.94 3a12 n GLU 63 N 0.53 2.70 -0.10 -3.49 2.13 -1.26 -4.87 120.64 116.28 3a12 n GLU 63 Ca -0.16 0.98 -0.10 0.00 0.66 0.00 0.00 57.16 58.54 3a12 n GLU 63 Cb 0.59 -2.97 0.05 0.00 0.27 0.00 0.00 31.44 29.37 3a12 n GLU 63 CO 0.00 0.00 0.00 0.37 -0.41 0.00 0.00 177.13 177.09 3a12 h GLN 64 N 10.75 0.83 -0.65 5.31 5.75 -2.00 -3.00 115.11 132.09 3a12 h GLN 64 Ca -0.49 -0.37 -0.02 0.00 -0.15 0.00 0.00 58.65 57.61 3a12 h GLN 64 Cb 1.25 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 29.75 3a12 h GLN 64 CO 0.94 1.01 0.32 0.93 -2.65 0.00 0.00 178.83 179.38 3a12 h GLU 65 N 0.70 0.92 0.16 1.69 4.39 -2.00 -1.23 114.58 119.22 3a12 h GLU 65 Ca 0.08 -0.12 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 3a12 h GLU 65 Cb 0.83 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.31 3a12 h GLU 65 CO 0.07 0.71 -0.08 -0.09 -1.16 0.00 0.00 179.01 178.47 3a12 h ARG 66 N 0.92 -0.20 -0.71 2.33 2.43 -1.95 -1.78 114.38 115.42 3a12 h ARG 66 Ca 0.23 0.01 0.12 0.00 -0.81 0.00 0.00 59.98 59.54 3a12 h ARG 66 Cb 0.09 0.05 -0.13 0.00 -0.42 0.00 0.00 29.97 29.55 3a12 h ARG 66 CO -0.03 0.17 -0.32 2.35 -1.51 0.00 0.00 179.97 180.63 3a12 h TRP 67 N -0.63 -0.86 -0.74 2.20 7.01 -1.37 -0.78 115.95 120.77 3a12 h TRP 67 Ca -0.02 0.08 -0.06 0.00 2.11 0.00 0.00 58.89 61.00 3a12 h TRP 67 Cb 0.47 0.48 -0.03 0.00 -2.10 0.00 0.00 29.16 27.98 3a12 h TRP 67 CO 0.05 -0.38 0.24 0.00 -2.79 0.00 0.00 178.44 175.57 3a12 h ALA 68 N 1.22 1.03 0.00 2.65 0.00 -1.20 -2.18 119.26 120.78 3a12 h ALA 68 Ca 0.28 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3a12 h ALA 68 Cb 0.56 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3a12 h ALA 68 CO -0.77 0.66 -0.17 0.22 0.00 0.00 0.00 179.25 179.19 3a12 h ASP 69 N 1.09 0.00 -0.00 0.00 3.58 -0.27 -2.93 116.42 117.90 3a12 h ASP 69 Ca 0.24 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.69 3a12 h ASP 69 Cb 0.29 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.34 3a12 h ASP 69 CO -0.01 0.17 -0.30 0.18 -2.88 0.00 0.00 179.24 176.39 3a12 n LEU 70 N -3.79 2.25 -4.79 2.28 4.77 -0.54 -4.86 117.00 112.32 3a12 n LEU 70 Ca -0.02 -0.79 -0.37 0.00 -0.03 0.00 0.00 56.01 54.80 3a12 n LEU 70 Cb 0.27 -0.01 -0.06 0.00 -2.33 0.00 0.00 43.42 41.29 3a12 n LEU 70 CO 0.32 0.40 0.56 -0.44 -1.33 0.00 0.00 177.39 176.90 3a12 s SER 71 N -2.32 7.28 0.53 -1.43 0.01 -1.00 -4.74 113.70 112.04 3a12 s SER 71 Ca 0.22 1.69 -0.08 0.00 1.31 0.00 0.00 55.95 59.10 3a12 s SER 71 Cb 0.19 -2.52 -0.04 0.00 0.21 0.00 0.00 66.02 63.86 3a12 s SER 71 CO 0.48 0.02 0.88 0.00 0.41 0.00 0.00 173.24 175.03 3a12 s ALA 72 N -1.50 3.28 -0.12 1.44 0.00 -1.26 -4.77 121.76 118.83 3a12 s ALA 72 Ca 0.45 -0.31 -0.01 0.00 0.00 0.00 0.00 51.96 52.09 3a12 s ALA 72 Cb -0.19 -2.80 0.03 0.00 0.00 0.00 0.00 23.12 20.16 3a12 s ALA 72 CO 0.24 -0.46 -0.04 0.15 0.00 0.00 0.00 175.76 175.64 3a12 s LYS 73 N -4.85 1.20 -0.21 0.00 -0.14 -0.65 -4.70 119.74 110.38 3a12 s LYS 73 Ca 0.51 -0.21 -0.29 0.00 -1.36 0.00 0.00 55.97 54.61 3a12 s LYS 73 Cb -0.11 -1.53 -0.01 0.00 -1.68 0.00 0.00 37.83 34.50 3a12 s LYS 73 CO 0.47 -0.33 1.33 0.00 -0.76 0.00 0.00 175.35 176.07 3a12 s ALA 74 N 1.78 3.51 0.00 5.17 0.00 0.19 -1.59 121.76 130.82 3a12 s ALA 74 Ca 0.04 0.35 0.00 0.00 0.00 0.00 0.00 51.96 52.35 3a12 s ALA 74 Cb -0.13 -3.71 0.00 0.00 0.00 0.00 0.00 23.12 19.28 3a12 s ALA 74 CO -0.07 -1.48 0.00 2.48 0.00 0.00 0.00 175.76 176.68 3a12 n TYR 75 N 7.20 0.00 -3.82 0.00 0.18 -0.39 -0.82 117.16 119.51 3a12 n TYR 75 Ca 0.15 0.00 -0.20 0.00 1.88 0.00 0.00 57.90 59.73 3a12 n TYR 75 Cb 0.45 0.00 -0.17 0.00 -0.38 0.00 0.00 39.34 39.24 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 -0.86 1.01 -0.07 9.48 2.15 -1.20 -4.40 116.67 122.79 3a12 s ASP 76 Ca 0.00 -0.02 0.05 0.00 0.43 0.00 0.00 52.55 53.01 3a12 s ASP 76 Cb 0.00 -0.28 -0.01 0.00 -0.30 0.00 0.00 42.92 42.33 3a12 s ASP 76 CO 0.00 -0.17 -0.23 -0.36 -0.17 0.00 0.00 175.17 174.24 3a12 s PHE 77 N 1.62 2.50 -0.19 -5.34 0.08 -1.26 -1.13 117.98 114.27 3a12 s PHE 77 Ca -0.01 -0.74 -0.04 0.00 0.12 0.00 0.00 56.93 56.26 3a12 s PHE 77 Cb -0.13 -1.63 0.06 0.00 -0.57 0.00 0.00 43.02 40.75 3a12 s PHE 77 CO -0.03 -0.23 0.06 -1.58 -0.10 0.00 0.00 175.22 173.34 3a12 s HIS 78 N -0.08 0.73 -0.04 0.36 5.65 0.18 -4.98 115.29 117.11 3a12 s HIS 78 Ca -0.06 -0.67 -0.30 0.00 0.25 0.00 0.00 55.06 54.28 3a12 s HIS 78 Cb -0.14 -0.91 -0.06 0.00 -1.18 0.00 0.00 32.58 30.28 3a12 s HIS 78 CO 0.04 -0.58 1.76 0.34 -0.65 0.00 0.00 174.74 175.66 3a12 s ASP 79 N 1.96 6.56 0.17 9.88 -1.08 -1.26 -0.71 116.67 132.19 3a12 s ASP 79 Ca 0.00 2.34 0.26 0.00 -0.52 0.00 0.00 52.55 54.63 3a12 s ASP 79 Cb -0.17 -2.53 0.67 0.00 -1.46 0.00 0.00 42.92 39.44 3a12 s ASP 79 CO -0.09 -1.00 1.63 0.23 0.52 0.00 0.00 175.17 176.46 3a12 n MET 80 N 7.32 0.26 -0.66 4.34 2.81 -0.34 -4.94 117.12 125.90 3a12 n MET 80 Ca 0.18 0.16 0.00 0.00 -1.81 0.00 0.00 57.70 56.24 3a12 n MET 80 Cb 0.42 -1.75 0.00 0.00 -0.71 0.00 0.00 33.22 31.18 3a12 n MET 80 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3a12 n GLY 81 N 1.33 0.62 0.14 3.03 0.00 -1.25 -4.91 105.19 104.14 3a12 n GLY 81 Ca 0.05 -0.46 0.01 0.00 0.00 0.00 0.00 46.02 45.62 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 0.84 0.67 0.00 1.61 5.68 -1.26 -4.96 116.55 119.14 3a12 n ASP 82 Ca 0.00 -1.71 0.00 0.00 -0.50 0.00 0.00 54.79 52.58 3a12 n ASP 82 Cb 0.00 -0.11 0.00 0.00 -1.14 0.00 0.00 41.12 39.87 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 -0.27 0.54 3.43 6.12 0.00 -1.26 -5.08 105.19 108.66 3a12 n GLY 83 Ca 0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.84 3.35 0.03 1.61 1.04 -1.26 -4.23 113.70 111.39 3a12 s SER 84 Ca 0.00 -0.95 0.05 0.00 0.48 0.00 0.00 55.95 55.53 3a12 s SER 84 Cb 0.00 -0.25 -0.02 0.00 0.10 0.00 0.00 66.02 65.85 3a12 s SER 84 CO 0.00 0.05 -0.13 0.26 0.98 0.00 0.00 173.24 174.39 3a12 s TRP 85 N -2.16 1.18 -0.11 5.02 0.52 0.72 -1.20 118.94 122.92 3a12 s TRP 85 Ca 0.24 -0.32 -0.30 0.00 0.02 0.00 0.00 56.10 55.74 3a12 s TRP 85 Cb -0.06 -0.71 -0.01 0.00 -1.15 0.00 0.00 33.47 31.53 3a12 s TRP 85 CO 0.11 0.02 1.03 0.42 0.02 0.00 0.00 176.95 178.56 3a12 s ILE 86 N -0.72 4.71 -0.10 2.03 -1.09 0.12 -0.25 121.20 125.89 3a12 s ILE 86 Ca 0.02 1.99 0.01 0.00 -2.23 0.00 0.00 60.65 60.44 3a12 s ILE 86 Cb -0.07 -4.28 0.02 0.00 -1.58 0.00 0.00 42.46 36.55 3a12 s ILE 86 CO 0.01 -0.01 -0.11 -0.69 -1.23 0.00 0.00 174.94 172.91 3a12 s VAL 87 N 2.10 1.22 -0.16 2.92 1.01 0.17 -0.64 120.40 127.01 3a12 s VAL 87 Ca 0.49 -0.46 -0.11 0.00 0.00 0.00 0.00 61.98 61.90 3a12 s VAL 87 Cb -0.19 -1.16 -0.05 0.00 0.00 0.00 0.00 36.38 34.99 3a12 s VAL 87 CO 0.18 0.39 0.19 -0.13 0.00 0.00 0.00 175.10 175.73 3a12 s ARG 88 N 1.19 4.06 -0.06 2.72 0.52 -0.28 -0.90 118.95 126.19 3a12 s ARG 88 Ca -0.04 -0.08 0.03 0.00 -0.52 0.00 0.00 55.73 55.12 3a12 s ARG 88 Cb -0.14 -3.37 0.01 0.00 0.52 0.00 0.00 34.95 31.97 3a12 s ARG 88 CO -0.03 0.39 -0.13 0.42 0.02 0.00 0.00 175.30 175.97 3a12 s ILE 89 N 0.07 1.18 -0.12 1.52 1.01 -0.20 -1.26 121.20 123.41 3a12 s ILE 89 Ca 0.13 -0.52 -0.04 0.00 0.00 0.00 0.00 60.65 60.22 3a12 s ILE 89 Cb -0.12 -1.07 -0.03 0.00 0.01 0.00 0.00 42.46 41.25 3a12 s ILE 89 CO 0.02 0.36 0.02 0.00 0.00 0.00 0.00 174.94 175.34 3a12 s ALA 90 N 0.57 3.34 -0.06 9.38 0.00 -0.62 -0.87 121.76 133.51 3a12 s ALA 90 Ca -0.13 -0.78 0.04 0.00 0.00 0.00 0.00 51.96 51.09 3a12 s ALA 90 Cb -0.15 -1.63 0.00 0.00 0.00 0.00 0.00 23.12 21.35 3a12 s ALA 90 CO 0.04 0.48 -0.16 0.71 0.00 0.00 0.00 175.76 176.82 3a12 s TYR 91 N -0.53 1.70 0.12 0.00 2.02 0.17 -1.64 117.35 119.18 3a12 s TYR 91 Ca 0.10 -0.56 -0.31 0.00 -0.37 0.00 0.00 57.07 55.93 3a12 s TYR 91 Cb -0.12 -1.17 -0.07 0.00 -0.40 0.00 0.00 41.96 40.20 3a12 s TYR 91 CO 0.02 -0.23 1.31 -1.25 -1.57 0.00 0.00 175.55 173.84 3a12 s PRO 92 N 0.27 4.37 0.50 -1.71 0.04 -1.26 0.11 135.00 137.32 3a12 s PRO 92 Ca -0.09 1.97 0.25 0.00 0.04 0.00 0.00 61.00 63.18 3a12 s PRO 92 Cb -0.13 -3.27 1.33 0.00 0.04 0.00 0.00 34.50 32.47 3a12 s PRO 92 CO 0.03 -0.33 1.90 0.27 0.04 0.00 0.00 177.00 178.91 3a12 h PHE 93 N 6.48 0.18 -0.13 0.56 -5.15 -1.30 0.39 116.94 117.98 3a12 h PHE 93 Ca -0.42 0.01 0.00 0.00 -0.20 0.00 0.00 57.97 57.35 3a12 h PHE 93 Cb 1.21 -0.06 0.00 0.00 0.22 0.00 0.00 35.95 37.33 3a12 h PHE 93 CO 0.65 0.05 0.00 -2.39 -2.00 0.00 0.00 178.31 174.62 3a12 n HIS 94 N -4.37 0.21 0.18 6.09 1.44 -1.26 -2.81 115.22 114.70 3a12 n HIS 94 Ca 0.17 -0.10 0.06 0.00 -2.01 0.00 0.00 57.72 55.84 3a12 n HIS 94 Cb 0.79 -0.03 0.14 0.00 0.12 0.00 0.00 29.99 31.02 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 3.11 0.82 -3.27 1.59 0.00 -1.25 -3.46 119.26 116.80 3a12 h ALA 95 Ca 0.00 -0.29 -0.64 0.00 0.00 0.00 0.00 54.91 53.98 3a12 h ALA 95 Cb 0.28 -0.05 -0.13 0.00 0.00 0.00 0.00 17.79 17.89 3a12 h ALA 95 CO 0.01 0.40 -0.68 -0.06 0.00 0.00 0.00 179.25 178.92 3a12 s PHE 96 N -3.15 2.89 0.32 0.00 0.08 -1.12 -5.09 117.98 111.90 3a12 s PHE 96 Ca 0.04 -0.09 -0.30 0.00 0.12 0.00 0.00 56.93 56.71 3a12 s PHE 96 Cb 0.07 -1.47 -0.11 0.00 -0.57 0.00 0.00 43.02 40.94 3a12 s PHE 96 CO 0.70 0.48 1.59 -2.00 -0.10 0.00 0.00 175.22 175.89 3a12 s GLU 97 N -2.46 4.10 0.31 0.44 2.12 -1.26 -4.95 118.70 117.00 3a12 s GLU 97 Ca 0.25 2.61 -0.29 0.00 0.36 0.00 0.00 54.97 57.90 3a12 s GLU 97 Cb -0.11 -3.00 -0.13 0.00 0.26 0.00 0.00 34.13 31.15 3a12 s GLU 97 CO 0.17 -0.63 1.31 0.39 -0.54 0.00 0.00 175.26 175.96 3a12 n GLU 98 N 1.77 2.06 -3.84 4.30 1.02 -1.26 -3.30 120.64 121.39 3a12 n GLU 98 Ca 0.07 0.73 -0.28 0.00 -0.02 0.00 0.00 57.16 57.65 3a12 n GLU 98 Cb 0.37 -2.32 0.03 0.00 -0.02 0.00 0.00 31.44 29.51 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 0.82 -1.44 -3.58 0.62 0.00 -1.26 -4.92 120.51 110.75 3a12 n ALA 99 Ca 0.07 0.14 -0.28 0.00 0.00 0.00 0.00 53.44 53.37 3a12 n ALA 99 Cb 0.34 -4.05 -0.11 0.00 0.00 0.00 0.00 19.45 15.63 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 -3.53 2.76 0.11 0.00 3.84 -1.21 -4.99 114.94 111.92 3a12 s ASN 100 Ca 0.52 -3.18 -0.21 0.00 0.21 0.00 0.00 52.86 50.19 3a12 s ASN 100 Cb -0.26 -0.85 -0.10 0.00 -0.55 0.00 0.00 41.25 39.50 3a12 s ASN 100 CO 0.82 -0.17 1.74 0.25 -2.79 0.00 0.00 177.10 176.95 3a12 h LEU 101 N 5.79 0.02 -0.69 3.21 5.85 -1.91 -1.92 115.31 125.67 3a12 h LEU 101 Ca 0.19 0.01 0.12 0.00 0.84 0.00 0.00 57.88 59.04 3a12 h LEU 101 Cb 0.87 0.01 -0.09 0.00 0.37 0.00 0.00 40.66 41.83 3a12 h LEU 101 CO 0.48 0.03 0.25 -0.65 -0.34 0.00 0.00 178.44 178.20 3a12 h PRO 102 N 0.07 0.39 -0.87 5.25 0.11 -1.94 0.51 132.00 135.52 3a12 h PRO 102 Ca 0.04 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.11 3a12 h PRO 102 Cb 0.03 -0.09 -0.04 0.00 0.11 0.00 0.00 31.00 31.01 3a12 h PRO 102 CO -0.05 0.26 0.49 0.78 -0.21 0.00 0.00 178.00 179.27 3a12 h GLY 103 N 0.40 1.29 1.14 -0.55 0.00 -1.88 -1.69 103.07 101.78 3a12 h GLY 103 Ca 0.37 -0.57 -0.13 0.00 0.00 0.00 0.00 47.33 46.99 3a12 h GLY 103 CO -0.38 0.55 -0.23 -2.00 0.00 0.00 0.00 176.54 174.48 3a12 h LEU 104 N 1.21 1.01 -1.71 3.11 6.46 -0.46 -2.50 115.31 122.43 3a12 h LEU 104 Ca 0.31 -0.39 -0.04 0.00 -0.12 0.00 0.00 57.88 57.64 3a12 h LEU 104 Cb 0.00 -0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 39.65 3a12 h LEU 104 CO -0.05 1.18 -0.17 -0.07 -0.62 0.00 0.00 178.44 178.71 3a12 h LEU 105 N 0.84 0.00 -1.52 2.25 3.38 -0.66 -2.06 115.31 117.54 3a12 h LEU 105 Ca 0.11 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 3a12 h LEU 105 Cb 0.81 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 3a12 h LEU 105 CO 0.07 0.17 -0.18 0.00 0.09 0.00 0.00 178.44 178.59 3a12 h ALA 106 N 1.83 1.14 0.00 1.53 0.00 -0.84 -1.40 119.26 121.52 3a12 h ALA 106 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3a12 h ALA 106 Cb 0.33 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3a12 h ALA 106 CO 0.02 0.22 -0.06 0.77 0.00 0.00 0.00 179.25 180.21 3a12 h SER 107 N 0.00 0.00 0.19 0.00 0.02 -1.35 -3.31 113.55 109.10 3a12 h SER 107 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3a12 h SER 107 Cb 0.55 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.09 3a12 h SER 107 CO 0.02 0.32 -0.04 2.30 -1.14 0.00 0.00 176.83 178.29 3a12 n ILE 108 N -3.61 0.00 -2.61 3.27 -6.64 -0.91 -3.75 119.36 105.12 3a12 n ILE 108 Ca -0.01 -0.07 -0.01 0.00 -1.77 0.00 0.00 62.75 60.89 3a12 n ILE 108 Cb 0.03 -0.15 0.05 0.00 -1.44 0.00 0.00 39.64 38.13 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 -0.79 2.80 -2.32 -1.28 0.00 -0.53 -5.00 120.51 113.39 3a12 n ALA 109 Ca 0.18 -1.89 0.00 0.00 0.00 0.00 0.00 53.44 51.73 3a12 n ALA 109 Cb 0.23 -0.76 0.00 0.00 0.00 0.00 0.00 19.45 18.93 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 -0.58 0.99 0.32 0.00 0.00 -1.20 -4.82 105.19 99.90 3a12 n GLY 110 Ca -0.05 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.13 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 0.02 1.61 2.35 -1.85 -3.05 115.58 114.66 3a12 h ASN 111 Ca 0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3a12 h ASN 111 Cb 0.00 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.37 3a12 h ASN 111 CO 0.00 0.00 -0.00 0.16 -1.65 0.00 0.00 177.43 175.94 3a12 h ILE 112 N 0.00 0.16 0.00 2.81 3.07 -1.87 -1.46 117.51 120.22 3a12 h ILE 112 Ca 0.04 -0.01 0.00 0.00 1.55 0.00 0.00 64.86 66.44 3a12 h ILE 112 Cb 0.24 1.01 0.00 0.00 -0.27 0.00 0.00 36.82 37.80 3a12 h ILE 112 CO -0.00 0.00 0.00 -0.26 -1.05 0.00 0.00 178.15 176.84 3a12 h PHE 113 N 0.00 0.00 -0.35 0.16 0.04 -1.89 -3.17 116.94 111.73 3a12 h PHE 113 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3a12 h PHE 113 Cb 0.01 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.16 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 0.17 1.68 3.71 -1.45 0.00 -0.55 -4.88 105.19 103.87 3a12 n GLY 114 Ca 0.01 -0.61 -0.42 0.00 0.00 0.00 0.00 46.02 45.00 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 -1.27 4.21 0.56 1.61 -1.94 -1.20 -4.89 119.30 116.38 3a12 s MET 115 Ca 0.32 2.34 0.26 0.00 -1.71 0.00 0.00 55.69 56.90 3a12 s MET 115 Cb 0.19 -3.31 1.50 0.00 2.01 0.00 0.00 34.83 35.22 3a12 s MET 115 CO 0.26 -0.64 2.06 0.87 -0.01 0.00 0.00 175.02 177.56 3a12 h LYS 116 N 7.33 0.00 -0.40 2.03 1.57 -1.94 -2.64 116.57 122.52 3a12 h LYS 116 Ca -0.43 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 3a12 h LYS 116 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 3a12 h LYS 116 CO 0.92 0.00 0.00 2.89 -0.57 0.00 0.00 179.45 182.69 3a12 n ARG 117 N -4.10 1.94 -5.03 3.15 1.85 -1.26 -4.68 116.66 108.54 3a12 n ARG 117 Ca 0.04 -1.40 -0.32 0.00 -1.00 0.00 0.00 57.85 55.17 3a12 n ARG 117 Cb 0.41 -1.32 -0.14 0.00 -1.05 0.00 0.00 32.46 30.35 3a12 n ARG 117 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 177.63 177.76 3a12 s VAL 118 N -1.50 2.73 -0.06 8.89 -7.23 -1.00 -1.66 120.40 120.56 3a12 s VAL 118 Ca 0.26 -0.85 -0.21 0.00 -1.81 0.00 0.00 61.98 59.37 3a12 s VAL 118 Cb 0.14 -2.03 -0.30 0.00 0.56 0.00 0.00 36.38 34.74 3a12 s VAL 118 CO 0.17 0.59 0.81 0.50 -0.31 0.00 0.00 175.10 176.86 3a12 h LYS 119 N 5.41 0.28 -3.84 4.82 3.64 0.28 -3.43 116.57 123.74 3a12 h LYS 119 Ca -0.45 -0.48 -0.16 0.00 -1.27 0.00 0.00 60.65 58.29 3a12 h LYS 119 Cb 1.14 0.18 -0.21 0.00 -0.41 0.00 0.00 32.23 32.93 3a12 h LYS 119 CO 0.49 1.23 -0.63 0.20 -2.27 0.00 0.00 179.45 178.47 3a12 s GLY 120 N -4.55 0.18 -0.08 5.01 0.00 -1.07 -5.00 107.32 101.81 3a12 s GLY 120 Ca -0.15 -0.46 -0.03 0.00 0.00 0.00 0.00 44.72 44.08 3a12 s GLY 120 CO 0.81 -0.55 0.14 -2.27 0.00 0.00 0.00 173.10 171.23 3a12 s LEU 121 N -1.45 -0.02 -0.12 0.66 2.96 -1.04 -1.29 118.68 118.37 3a12 s LEU 121 Ca -0.15 0.26 0.02 0.00 -0.22 0.00 0.00 54.13 54.03 3a12 s LEU 121 Cb -0.09 0.17 0.02 0.00 0.50 0.00 0.00 46.19 46.78 3a12 s LEU 121 CO -0.00 -0.25 -0.17 -0.60 -1.32 0.00 0.00 176.35 174.01 3a12 s ARG 122 N 2.26 2.44 -0.44 1.98 3.52 -0.45 -1.07 118.95 127.19 3a12 s ARG 122 Ca 0.04 -0.63 -0.29 0.00 -0.13 0.00 0.00 55.73 54.71 3a12 s ARG 122 Cb -0.12 -2.07 0.02 0.00 -1.56 0.00 0.00 34.95 31.22 3a12 s ARG 122 CO -0.05 -0.09 1.18 -1.17 -0.81 0.00 0.00 175.30 174.36 3a12 s LEU 123 N 1.04 3.67 -0.09 -0.88 2.96 -0.20 -0.19 118.68 124.99 3a12 s LEU 123 Ca -0.04 0.62 0.13 0.00 -0.22 0.00 0.00 54.13 54.62 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 -0.04 -1.23 0.47 -0.62 -1.32 0.00 0.00 176.35 173.62 3a12 n GLU 124 N 7.74 0.65 -3.50 1.98 -0.58 0.12 -0.73 120.64 126.32 3a12 n GLU 124 Ca 0.13 0.21 -0.15 0.00 -0.42 0.00 0.00 57.16 56.93 3a12 n GLU 124 Cb 0.48 -1.71 -0.05 0.00 -0.57 0.00 0.00 31.44 29.60 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 -5.95 -0.57 -0.17 1.62 2.15 -1.13 -4.47 116.67 108.15 3a12 s ASP 125 Ca -0.07 0.43 -0.01 0.00 0.43 0.00 0.00 52.55 53.33 3a12 s ASP 125 Cb 0.07 0.51 0.05 0.00 -0.30 0.00 0.00 42.92 43.25 3a12 s ASP 125 CO 0.82 -0.66 -0.02 -0.76 -0.17 0.00 0.00 175.17 174.38 3a12 s LEU 126 N -1.68 1.49 -0.09 -1.34 1.43 -1.26 -0.96 118.68 116.27 3a12 s LEU 126 Ca -0.05 -0.71 -0.20 0.00 -1.03 0.00 0.00 54.13 52.14 3a12 s LEU 126 Cb -0.00 -0.80 -0.04 0.00 0.03 0.00 0.00 46.19 45.38 3a12 s LEU 126 CO 0.01 -0.23 0.58 -0.47 0.23 0.00 0.00 176.35 176.47 3a12 s TYR 127 N 1.71 3.55 -0.19 0.29 5.04 0.10 -4.95 117.35 122.90 3a12 s TYR 127 Ca -0.00 1.05 -0.03 0.00 -2.44 0.00 0.00 57.07 55.66 3a12 s TYR 127 Cb -0.16 -2.66 -0.01 0.00 0.35 0.00 0.00 41.96 39.48 3a12 s TYR 127 CO -0.07 0.14 -0.07 -0.06 -1.34 0.00 0.00 175.55 174.15 3a12 s PHE 128 N 0.67 2.93 0.76 4.97 0.08 -1.26 -2.47 117.98 123.65 3a12 s PHE 128 Ca 0.31 -0.78 -0.13 0.00 0.12 0.00 0.00 56.93 56.45 3a12 s PHE 128 Cb -0.16 -2.01 0.05 0.00 -0.57 0.00 0.00 43.02 40.33 3a12 s PHE 128 CO 0.14 -0.39 1.14 -1.25 -0.10 0.00 0.00 175.22 174.76 3a12 s PRO 129 N 1.01 2.11 0.28 0.24 0.04 -1.26 -4.74 135.00 132.69 3a12 s PRO 129 Ca -0.00 1.48 0.02 0.00 0.04 0.00 0.00 61.00 62.54 3a12 s PRO 129 Cb -0.15 -1.86 0.69 0.00 0.04 0.00 0.00 34.50 33.23 3a12 s PRO 129 CO -0.00 -1.80 1.67 1.49 0.04 0.00 0.00 177.00 178.40 3a12 h GLU 130 N -0.72 0.29 -1.00 4.56 4.81 -1.82 0.15 114.58 120.85 3a12 h GLU 130 Ca -0.45 -0.02 0.17 0.00 -0.13 0.00 0.00 59.36 58.93 3a12 h GLU 130 Cb 1.26 -0.07 -0.10 0.00 0.63 0.00 0.00 28.75 30.47 3a12 h GLU 130 CO 0.50 0.19 0.61 -0.22 -0.73 0.00 0.00 179.01 179.36 3a12 h LYS 131 N 0.30 0.78 0.08 1.92 3.64 -1.91 -0.76 116.57 120.62 3a12 h LYS 131 Ca 0.54 -0.05 -0.27 0.00 -1.27 0.00 0.00 60.65 59.60 3a12 h LYS 131 Cb 1.04 -0.18 0.01 0.00 -0.41 0.00 0.00 32.23 32.70 3a12 h LYS 131 CO -0.58 0.52 -1.14 -0.07 -2.27 0.00 0.00 179.45 175.91 3a12 h LEU 132 N 0.81 0.65 -0.92 5.20 4.07 -1.06 -3.12 115.31 120.93 3a12 h LEU 132 Ca 0.56 -0.59 0.12 0.00 0.08 0.00 0.00 57.88 58.05 3a12 h LEU 132 Cb 0.80 -0.21 -0.09 0.00 1.08 0.00 0.00 40.66 42.25 3a12 h LEU 132 CO -0.36 1.42 0.55 0.40 -1.08 0.00 0.00 178.44 179.37 3a12 h ILE 133 N 0.21 0.86 0.00 1.22 1.08 -0.74 -1.34 117.51 118.81 3a12 h ILE 133 Ca -0.14 -0.29 0.00 0.00 -0.39 0.00 0.00 64.86 64.04 3a12 h ILE 133 Cb 1.81 -0.06 0.00 0.00 -3.07 0.00 0.00 36.82 35.50 3a12 h ILE 133 CO 0.20 0.15 0.00 0.54 -0.69 0.00 0.00 178.15 178.36 3a12 n ARG 134 N -4.72 0.13 0.00 2.37 1.74 -0.39 -2.04 116.66 113.75 3a12 n ARG 134 Ca 0.17 0.01 0.14 0.00 -0.77 0.00 0.00 57.85 57.41 3a12 n ARG 134 Cb 0.37 -1.50 0.80 0.00 -1.02 0.00 0.00 32.46 31.11 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 -1.43 0.71 -4.33 5.56 1.02 -0.50 -4.83 120.64 116.82 3a12 n GLU 135 Ca 0.09 0.01 -0.23 0.00 -0.02 0.00 0.00 57.16 57.01 3a12 n GLU 135 Cb 0.30 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 30.14 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 -2.24 2.60 -0.20 -0.32 0.08 -0.87 -4.88 117.98 112.16 3a12 s PHE 136 Ca 0.37 -0.25 0.16 0.00 0.12 0.00 0.00 56.93 57.33 3a12 s PHE 136 Cb 0.20 -1.15 -0.24 0.00 -0.57 0.00 0.00 43.02 41.26 3a12 s PHE 136 CO 0.38 0.64 0.07 -0.25 -0.10 0.00 0.00 175.22 175.95 3a12 n ASP 137 N -0.79 0.31 -0.11 1.36 8.00 -1.25 -5.02 116.55 119.05 3a12 n ASP 137 Ca -0.06 0.01 0.01 0.00 0.71 0.00 0.00 54.79 55.45 3a12 n ASP 137 Cb 0.59 0.75 -0.00 0.00 -0.02 0.00 0.00 41.12 42.44 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 1.80 -2.11 3.74 0.44 0.00 -0.10 -4.72 105.19 104.25 3a12 n GLY 138 Ca -0.34 -1.44 -0.42 0.00 0.00 0.00 0.00 46.02 43.82 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 -0.51 4.14 0.21 1.61 0.02 -1.24 -4.22 135.00 135.00 3a12 s PRO 139 Ca 0.00 2.56 -0.04 0.00 0.02 0.00 0.00 61.00 63.54 3a12 s PRO 139 Cb 0.00 -3.06 0.17 0.00 0.02 0.00 0.00 34.50 31.63 3a12 s PRO 139 CO 0.00 -0.66 1.59 0.00 -0.33 0.00 0.00 177.00 177.60 3a12 h ALA 140 N 5.70 0.82 0.00 -1.55 0.00 -1.89 -3.39 119.26 118.94 3a12 h ALA 140 Ca -0.45 -0.41 -0.17 0.00 0.00 0.00 0.00 54.91 53.88 3a12 h ALA 140 Cb 1.21 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 3a12 h ALA 140 CO 0.86 0.64 -1.46 1.19 0.00 0.00 0.00 179.25 180.48 3a12 n PHE 141 N -4.07 0.00 -4.86 0.00 3.72 -1.26 -4.93 117.46 106.06 3a12 n PHE 141 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 3a12 n PHE 141 Cb 0.48 -0.59 0.00 0.00 -0.94 0.00 0.00 39.48 38.43 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 1.71 -1.01 0.18 1.37 0.00 -1.26 -1.11 105.19 105.06 3a12 n GLY 142 Ca -0.26 -1.05 -0.08 0.00 0.00 0.00 0.00 46.02 44.64 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 0.00 1.08 -0.15 -0.61 2.04 -1.23 -1.33 117.51 117.31 3a12 h ILE 143 Ca 0.00 -0.18 0.02 0.00 1.00 0.00 0.00 64.86 65.69 3a12 h ILE 143 Cb 0.00 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 36.57 3a12 h ILE 143 CO 0.00 0.10 0.05 -0.33 0.00 0.00 0.00 178.15 177.96 3a12 h GLU 144 N 0.53 0.11 -0.42 2.37 4.39 -1.84 -1.22 114.58 118.50 3a12 h GLU 144 Ca 0.15 -0.01 -0.05 0.00 0.34 0.00 0.00 59.36 59.80 3a12 h GLU 144 Cb -0.04 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.57 3a12 h GLU 144 CO -0.05 0.07 0.05 0.78 -1.16 0.00 0.00 179.01 178.71 3a12 h GLY 145 N 0.12 0.70 1.34 -3.84 0.00 -0.85 -1.98 103.07 98.56 3a12 h GLY 145 Ca 0.06 -0.41 -0.32 0.00 0.00 0.00 0.00 47.33 46.67 3a12 h GLY 145 CO -0.07 0.38 -1.37 -2.08 0.00 0.00 0.00 176.54 173.40 3a12 h VAL 146 N 0.63 1.33 -0.58 4.60 2.07 -1.01 -1.73 116.25 121.55 3a12 h VAL 146 Ca 0.14 -2.71 -0.06 0.00 0.82 0.00 0.00 66.70 64.88 3a12 h VAL 146 Cb 0.31 2.93 -0.03 0.00 -1.52 0.00 0.00 31.29 32.99 3a12 h VAL 146 CO 0.01 0.81 0.11 0.03 0.02 0.00 0.00 177.57 178.54 3a12 h ARG 147 N 0.17 0.92 -0.31 1.57 3.08 -1.15 -1.69 114.38 116.96 3a12 h ARG 147 Ca -0.22 -0.21 -0.10 0.00 0.07 0.00 0.00 59.98 59.52 3a12 h ARG 147 Cb 2.06 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 31.98 3a12 h ARG 147 CO 0.25 0.84 -0.20 -0.22 -1.07 0.00 0.00 179.97 179.58 3a12 h LYS 148 N 0.87 0.68 -0.48 0.04 3.64 -1.38 0.46 116.57 120.41 3a12 h LYS 148 Ca 0.18 -0.32 -0.01 0.00 -1.27 0.00 0.00 60.65 59.23 3a12 h LYS 148 Cb 0.36 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.15 3a12 h LYS 148 CO 0.01 0.92 0.26 1.98 -2.27 0.00 0.00 179.45 180.35 3a12 h MET 149 N 0.44 0.65 -0.01 1.90 4.05 -1.15 -2.60 114.93 118.20 3a12 h MET 149 Ca 0.06 -0.06 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 3a12 h MET 149 Cb 0.74 -0.14 0.00 0.00 -0.80 0.00 0.00 31.60 31.41 3a12 h MET 149 CO 0.06 0.48 -0.41 1.28 0.23 0.00 0.00 176.91 178.55 3a12 n LEU 150 N -4.41 1.80 -4.02 3.39 4.77 -0.65 -4.90 117.00 112.98 3a12 n LEU 150 Ca 0.04 -0.64 -0.30 0.00 -0.03 0.00 0.00 56.01 55.08 3a12 n LEU 150 Cb 0.10 -0.03 -0.01 0.00 -2.33 0.00 0.00 43.42 41.15 3a12 n LEU 150 CO 0.36 0.33 -0.08 -0.62 -1.33 0.00 0.00 177.39 176.05 3a12 n GLU 151 N -0.14 -3.81 -4.05 3.23 1.02 0.15 -4.40 120.64 112.64 3a12 n GLU 151 Ca 0.10 0.45 -0.32 0.00 -0.02 0.00 0.00 57.16 57.37 3a12 n GLU 151 Cb 0.44 -4.96 -0.15 0.00 -0.02 0.00 0.00 31.44 26.75 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 -3.58 2.01 -0.07 -3.67 1.01 -0.67 -4.99 121.20 111.23 3a12 s ILE 152 Ca 0.38 -1.41 -0.01 0.00 0.00 0.00 0.00 60.65 59.61 3a12 s ILE 152 Cb -0.20 -2.09 -0.26 0.00 0.01 0.00 0.00 42.46 39.92 3a12 s ILE 152 CO 0.89 0.06 0.55 0.50 0.00 0.00 0.00 174.94 176.94 3a12 h LYS 153 N 7.84 0.20 0.00 2.79 3.64 -1.93 -3.43 116.57 125.68 3a12 h LYS 153 Ca -0.24 -0.35 0.00 0.00 -1.27 0.00 0.00 60.65 58.79 3a12 h LYS 153 Cb 1.06 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 3a12 h LYS 153 CO 0.48 1.02 -0.62 -0.25 -2.27 0.00 0.00 179.45 177.81 3a12 n ASP 154 N -3.37 0.54 -4.75 4.20 8.00 -1.26 -5.09 116.55 114.83 3a12 n ASP 154 Ca -0.25 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 54.92 3a12 n ASP 154 Cb 1.05 0.00 0.07 0.00 -0.02 0.00 0.00 41.12 42.22 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 -1.92 2.47 0.93 -1.24 1.70 -1.26 -4.61 118.95 115.03 3a12 s ARG 155 Ca 0.00 1.54 -0.11 0.00 -0.47 0.00 0.00 55.73 56.70 3a12 s ARG 155 Cb 0.00 -1.90 0.13 0.00 -0.57 0.00 0.00 34.95 32.61 3a12 s ARG 155 CO 0.00 -1.53 1.00 -0.35 -1.08 0.00 0.00 175.30 173.34 3a12 n PRO 156 N -2.60 -0.45 -3.23 3.89 -0.04 -1.14 -4.90 135.00 126.53 3a12 n PRO 156 Ca 0.12 -0.07 -0.39 0.00 -0.04 0.00 0.00 63.50 63.12 3a12 n PRO 156 Cb 0.51 -2.28 -0.06 0.00 -0.04 0.00 0.00 33.50 31.64 3a12 n PRO 156 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3a12 s ILE 157 N -2.59 4.68 -0.06 0.52 -1.09 -0.51 -4.91 121.20 117.25 3a12 s ILE 157 Ca 0.65 1.29 0.04 0.00 -2.23 0.00 0.00 60.65 60.41 3a12 s ILE 157 Cb -0.23 -3.94 -0.00 0.00 -1.58 0.00 0.00 42.46 36.71 3a12 s ILE 157 CO 0.60 0.55 -0.19 -0.47 -1.23 0.00 0.00 174.94 174.20 3a12 s TYR 158 N -1.10 1.95 0.32 3.97 5.04 -1.26 0.19 117.35 126.44 3a12 s TYR 158 Ca 0.30 -0.61 -0.12 0.00 -2.44 0.00 0.00 57.07 54.20 3a12 s TYR 158 Cb -0.20 -1.31 0.02 0.00 0.35 0.00 0.00 41.96 40.82 3a12 s TYR 158 CO 0.20 -0.22 0.60 0.20 -1.34 0.00 0.00 175.55 174.99 3a12 s GLY 159 N 0.10 0.66 -0.01 8.97 0.00 -0.64 0.35 107.32 116.75 3a12 s GLY 159 Ca -0.07 -0.93 0.02 0.00 0.00 0.00 0.00 44.72 43.73 3a12 s GLY 159 CO 0.03 -0.56 -0.06 0.14 0.00 0.00 0.00 173.10 172.65 3a12 s VAL 160 N -3.28 0.49 -0.28 1.40 1.01 -0.64 -2.12 120.40 116.99 3a12 s VAL 160 Ca 0.21 -0.22 -0.10 0.00 0.00 0.00 0.00 61.98 61.87 3a12 s VAL 160 Cb -0.03 -0.44 -0.04 0.00 0.00 0.00 0.00 36.38 35.88 3a12 s VAL 160 CO 0.12 0.16 0.16 -0.69 0.00 0.00 0.00 175.10 174.85 3a12 s VAL 161 N 0.11 4.99 0.35 2.92 1.01 -1.26 -4.46 120.40 124.05 3a12 s VAL 161 Ca -0.01 -0.01 -0.28 0.00 0.00 0.00 0.00 61.98 61.68 3a12 s VAL 161 Cb -0.05 -3.40 -0.12 0.00 0.00 0.00 0.00 36.38 32.81 3a12 s VAL 161 CO -0.00 0.23 1.40 -2.65 0.00 0.00 0.00 175.10 174.08 3a12 n PRO 162 N 5.02 2.40 -4.67 2.72 -0.02 -1.26 -4.53 135.00 134.66 3a12 n PRO 162 Ca -0.14 0.84 -0.23 0.00 -2.02 0.00 0.00 63.50 61.95 3a12 n PRO 162 Cb 0.51 -2.51 -0.15 0.00 -0.02 0.00 0.00 33.50 31.34 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 -1.77 1.20 0.69 -0.52 -0.14 -1.26 -4.04 119.74 113.90 3a12 s LYS 163 Ca 0.56 -0.52 -0.17 0.00 -1.36 0.00 0.00 55.97 54.49 3a12 s LYS 163 Cb -0.53 -1.15 -0.00 0.00 -1.68 0.00 0.00 37.83 34.47 3a12 s LYS 163 CO 0.61 0.30 1.08 -0.35 -0.76 0.00 0.00 175.35 176.23 3a12 n PRO 164 N 2.76 0.73 0.08 -1.68 -0.04 -1.26 -5.04 135.00 130.55 3a12 n PRO 164 Ca -0.15 0.30 -0.16 0.00 -0.04 0.00 0.00 63.50 63.46 3a12 n PRO 164 Cb 0.55 -2.32 -0.10 0.00 -0.04 0.00 0.00 33.50 31.59 3a12 n PRO 164 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 3a12 h LYS 165 N 0.05 -0.68 -5.17 0.54 1.57 -1.96 -3.44 116.57 107.48 3a12 h LYS 165 Ca -0.49 0.05 -0.44 0.00 -1.87 0.00 0.00 60.65 57.90 3a12 h LYS 165 Cb 1.34 0.15 -0.14 0.00 0.08 0.00 0.00 32.23 33.66 3a12 h LYS 165 CO 0.49 -0.45 -0.62 0.14 -0.57 0.00 0.00 179.45 178.43 3a12 s VAL 166 N -5.76 1.09 0.00 0.50 -7.23 -1.26 -4.68 120.40 103.06 3a12 s VAL 166 Ca -0.16 -2.02 0.00 0.00 -1.81 0.00 0.00 61.98 57.99 3a12 s VAL 166 Cb 0.06 -2.66 0.00 0.00 0.56 0.00 0.00 36.38 34.35 3a12 s VAL 166 CO 0.61 -0.09 0.00 0.61 -0.31 0.00 0.00 175.10 175.93 3a12 n GLY 167 N -0.59 0.98 3.55 2.32 0.00 -1.26 -5.11 105.19 105.07 3a12 n GLY 167 Ca -0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.75 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 2.49 0.33 1.61 -0.85 -1.26 -5.10 117.35 112.57 3a12 s TYR 168 Ca 0.00 -0.28 0.05 0.00 -0.52 0.00 0.00 57.07 56.32 3a12 s TYR 168 Cb 0.00 -1.12 -0.02 0.00 0.38 0.00 0.00 41.96 41.21 3a12 s TYR 168 CO 0.00 0.64 0.47 -1.54 -1.52 0.00 0.00 175.55 173.60 3a12 s SER 169 N -3.43 6.06 0.47 -0.18 1.04 -1.26 -4.61 113.70 111.79 3a12 s SER 169 Ca 0.29 -0.02 0.14 0.00 0.48 0.00 0.00 55.95 56.85 3a12 s SER 169 Cb -0.06 -1.48 1.07 0.00 0.10 0.00 0.00 66.02 65.65 3a12 s SER 169 CO 0.17 -0.37 2.05 -0.65 0.98 0.00 0.00 173.24 175.41 3a12 h PRO 170 N 0.89 0.06 -0.02 4.02 0.11 -1.96 0.31 132.00 135.41 3a12 h PRO 170 Ca -0.48 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.53 3a12 h PRO 170 Cb 1.25 -0.01 0.01 0.00 0.11 0.00 0.00 31.00 32.35 3a12 h PRO 170 CO 0.56 0.14 -0.37 0.93 -0.21 0.00 0.00 178.00 179.05 3a12 h GLU 171 N 0.06 0.29 -0.36 1.05 3.07 -1.95 0.15 114.58 116.89 3a12 h GLU 171 Ca 0.01 -0.28 0.05 0.00 -0.50 0.00 0.00 59.36 58.64 3a12 h GLU 171 Cb 0.18 0.07 -0.04 0.00 -0.84 0.00 0.00 28.75 28.12 3a12 h GLU 171 CO 0.01 0.97 0.10 0.93 -1.40 0.00 0.00 179.01 179.63 3a12 h GLU 172 N -0.29 0.23 -0.49 2.33 5.08 -1.88 -2.06 114.58 117.51 3a12 h GLU 172 Ca -0.04 -0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.39 3a12 h GLU 172 Cb 1.09 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.26 3a12 h GLU 172 CO 0.07 0.15 0.33 0.35 -1.00 0.00 0.00 179.01 178.92 3a12 h PHE 173 N 0.24 0.33 -0.04 4.33 3.57 -0.36 -3.18 116.94 121.83 3a12 h PHE 173 Ca 0.17 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.68 3a12 h PHE 173 Cb 0.17 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 38.80 3a12 h PHE 173 CO -0.16 0.17 0.03 1.49 -2.23 0.00 0.00 178.31 177.60 3a12 h GLU 174 N 0.32 0.06 -0.17 1.11 4.81 -0.20 -1.09 114.58 119.41 3a12 h GLU 174 Ca 0.22 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.43 3a12 h GLU 174 Cb 0.46 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 3a12 h GLU 174 CO -0.05 0.05 0.05 0.87 -0.73 0.00 0.00 179.01 179.21 3a12 h LYS 175 N 0.04 0.26 -0.32 1.92 1.57 -1.60 -1.89 116.57 116.56 3a12 h LYS 175 Ca 0.02 -0.06 0.07 0.00 -1.87 0.00 0.00 60.65 58.81 3a12 h LYS 175 Cb 0.01 -0.04 -0.08 0.00 0.08 0.00 0.00 32.23 32.21 3a12 h LYS 175 CO -0.00 0.38 -0.20 1.25 -0.57 0.00 0.00 179.45 180.31 3a12 h LEU 176 N 0.09 -0.65 -0.46 2.94 5.85 -1.56 -0.65 115.31 120.88 3a12 h LEU 176 Ca 0.05 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.91 3a12 h LEU 176 Cb 0.23 0.34 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 3a12 h LEU 176 CO -0.00 -0.23 0.29 0.00 -0.34 0.00 0.00 178.44 178.16 3a12 h ALA 177 N 1.03 0.59 -0.48 1.25 0.00 -1.10 0.12 119.26 120.67 3a12 h ALA 177 Ca 0.17 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.05 3a12 h ALA 177 Cb 0.41 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 3a12 h ALA 177 CO -0.42 0.06 0.28 -0.92 0.00 0.00 0.00 179.25 178.25 3a12 h TYR 178 N 0.62 0.52 -0.09 0.00 3.20 -0.88 -1.35 116.97 119.00 3a12 h TYR 178 Ca 0.17 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.03 3a12 h TYR 178 Cb -0.03 -0.17 -0.00 0.00 1.54 0.00 0.00 36.73 38.07 3a12 h TYR 178 CO -0.04 0.29 -0.02 -0.44 -1.64 0.00 0.00 178.16 176.32 3a12 h ASP 179 N 0.56 0.17 -0.22 -2.11 3.32 -0.53 -1.83 116.42 115.79 3a12 h ASP 179 Ca 0.20 -0.37 0.03 0.00 0.02 0.00 0.00 57.03 56.91 3a12 h ASP 179 Cb 0.03 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.51 3a12 h ASP 179 CO -0.10 0.50 0.01 -0.07 -1.72 0.00 0.00 179.24 177.87 3a12 h LEU 180 N -0.16 -0.06 -0.70 1.55 3.38 -0.72 -0.78 115.31 117.82 3a12 h LEU 180 Ca 0.02 0.04 -0.11 0.00 0.09 0.00 0.00 57.88 57.93 3a12 h LEU 180 Cb 0.43 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 3a12 h LEU 180 CO 0.01 -0.00 -0.18 -0.07 0.09 0.00 0.00 178.44 178.29 3a12 h LEU 181 N 0.08 0.81 -1.60 1.67 3.38 -1.28 -1.96 115.31 116.43 3a12 h LEU 181 Ca 0.10 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.76 3a12 h LEU 181 Cb 0.12 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3a12 h LEU 181 CO -0.16 0.99 -0.18 0.28 0.09 0.00 0.00 178.44 179.46 3a12 h SER 182 N 0.71 0.00 -0.51 -0.43 0.02 -1.12 -3.21 113.55 109.01 3a12 h SER 182 Ca 0.11 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.99 3a12 h SER 182 Cb 0.69 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.19 3a12 h SER 182 CO 0.05 0.18 0.07 0.59 -1.14 0.00 0.00 176.83 176.58 3a12 n ASN 183 N -3.60 4.77 0.00 3.07 3.02 -0.32 -4.95 115.26 117.26 3a12 n ASN 183 Ca -0.01 -3.09 0.00 0.00 -0.03 0.00 0.00 54.58 51.45 3a12 n ASN 183 Cb 0.32 -0.66 0.00 0.00 -0.61 0.00 0.00 39.78 38.83 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 -0.03 0.81 3.72 7.41 0.00 -1.11 -3.21 105.19 112.79 3a12 n GLY 184 Ca 0.30 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.89 3a12 n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a12 n ALA 185 N 0.00 2.54 0.15 4.61 0.00 -0.95 -4.89 120.51 121.97 3a12 n ALA 185 Ca 0.00 0.39 0.06 0.00 0.00 0.00 0.00 53.44 53.90 3a12 n ALA 185 Cb 0.00 -2.48 0.06 0.00 0.00 0.00 0.00 19.45 17.03 3a12 n ALA 185 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3a12 h ASP 186 N 5.79 0.00 -5.00 0.00 3.32 -0.44 -3.40 116.42 116.69 3a12 h ASP 186 Ca -0.45 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.53 3a12 h ASP 186 Cb 1.22 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.58 3a12 h ASP 186 CO 0.88 0.29 0.10 -0.72 -1.72 0.00 0.00 179.24 178.06 3a12 s TYR 187 N -3.08 -0.55 0.00 4.55 -0.85 -1.21 -2.34 117.35 113.87 3a12 s TYR 187 Ca 0.04 0.86 0.00 0.00 -0.52 0.00 0.00 57.07 57.45 3a12 s TYR 187 Cb 0.07 0.36 0.00 0.00 0.38 0.00 0.00 41.96 42.77 3a12 s TYR 187 CO 0.73 -0.59 0.00 -1.33 -1.52 0.00 0.00 175.55 172.84 3a12 n MET 188 N 0.83 2.09 -4.53 -3.49 2.81 -1.03 -1.62 117.12 112.19 3a12 n MET 188 Ca -0.19 0.00 -0.34 0.00 -1.81 0.00 0.00 57.70 55.36 3a12 n MET 188 Cb 0.58 0.00 -0.11 0.00 -0.71 0.00 0.00 33.22 32.98 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 -0.98 4.81 0.70 7.83 1.01 -0.88 -0.84 116.67 128.32 3a12 s ASP 190 Ca 0.00 0.00 -0.16 0.00 0.71 0.00 0.00 52.55 53.11 3a12 s ASP 190 Cb 0.00 -1.24 0.02 0.00 1.01 0.00 0.00 42.92 42.71 3a12 s ASP 190 CO 0.00 0.35 1.20 -0.62 0.21 0.00 0.00 175.17 176.31 3a12 s ASP 191 N -0.94 4.49 0.57 0.27 2.15 -1.26 -4.86 116.67 117.08 3a12 s ASP 191 Ca 0.14 2.33 0.35 0.00 0.43 0.00 0.00 52.55 55.79 3a12 s ASP 191 Cb -0.11 -2.59 1.64 0.00 -0.30 0.00 0.00 42.92 41.56 3a12 s ASP 191 CO 0.03 -2.07 2.10 1.05 -0.17 0.00 0.00 175.17 176.11 3a12 h GLU 192 N -0.02 0.00 -0.51 4.34 9.09 -2.00 -0.16 114.58 125.31 3a12 h GLU 192 Ca -0.48 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.93 3a12 h GLU 192 Cb 1.29 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.39 3a12 h GLU 192 CO 0.51 0.04 0.00 0.27 0.05 0.00 0.00 179.01 179.88 3a12 n ASN 193 N -3.21 3.58 -4.45 3.06 6.94 -1.26 -4.82 115.26 115.10 3a12 n ASN 193 Ca -0.01 -1.99 -0.44 0.00 -0.02 0.00 0.00 54.58 52.12 3a12 n ASN 193 Cb 0.24 -0.33 -0.05 0.00 -2.36 0.00 0.00 39.78 37.28 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 -1.32 4.74 0.00 -4.53 2.96 -0.07 -4.96 118.68 115.50 3a12 s LEU 194 Ca 0.42 -0.94 0.00 0.00 -0.22 0.00 0.00 54.13 53.39 3a12 s LEU 194 Cb 0.24 -2.48 0.00 0.00 0.50 0.00 0.00 46.19 44.45 3a12 s LEU 194 CO 0.32 -1.16 0.00 0.35 -1.32 0.00 0.00 176.35 174.55 3a12 n THR 195 N 5.80 0.00 -3.15 3.68 -2.24 -1.26 -4.69 114.28 112.42 3a12 n THR 195 Ca -0.05 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.53 3a12 n THR 195 Cb 0.45 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.65 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 1.50 -4.85 3.42 2.88 -1.26 -4.23 113.62 111.08 3a12 n SER 196 Ca 0.00 -3.12 -0.29 0.00 -1.33 0.00 0.00 58.87 54.13 3a12 n SER 196 Cb 0.00 -0.61 0.09 0.00 -0.75 0.00 0.00 64.21 62.94 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 -2.55 1.95 0.25 -1.46 0.04 -1.20 -4.72 135.00 127.31 3a12 s PRO 197 Ca 0.41 0.33 -0.04 0.00 0.04 0.00 0.00 61.00 61.74 3a12 s PRO 197 Cb 0.32 -1.93 0.46 0.00 0.04 0.00 0.00 34.50 33.39 3a12 s PRO 197 CO -0.09 -1.65 1.75 0.11 0.04 0.00 0.00 177.00 177.16 3a12 h TRP 198 N -1.10 0.61 0.00 0.56 5.08 -2.01 -0.09 115.95 118.99 3a12 h TRP 198 Ca -0.47 0.03 0.00 0.00 1.08 0.00 0.00 58.89 59.53 3a12 h TRP 198 Cb 1.30 -0.15 0.00 0.00 -3.00 0.00 0.00 29.16 27.31 3a12 h TRP 198 CO 0.37 0.12 0.00 2.48 -1.28 0.00 0.00 178.44 180.14 3a12 n TYR 199 N -4.94 0.00 -2.91 0.12 0.18 -1.26 -4.34 117.16 104.01 3a12 n TYR 199 Ca 0.15 0.00 -0.02 0.00 1.88 0.00 0.00 57.90 59.91 3a12 n TYR 199 Cb 0.40 -0.47 0.00 0.00 -0.38 0.00 0.00 39.34 38.89 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 -2.95 -1.34 0.23 9.48 3.84 -0.06 -4.24 114.94 119.91 3a12 s ASN 200 Ca 0.10 -1.24 -0.30 0.00 0.21 0.00 0.00 52.86 51.64 3a12 s ASN 200 Cb 0.12 1.74 -0.09 0.00 -0.55 0.00 0.00 41.25 42.48 3a12 s ASN 200 CO 0.33 -0.09 1.20 -0.13 -2.79 0.00 0.00 177.10 175.62 3a12 s ARG 201 N 1.26 4.51 0.21 0.43 1.81 -1.14 -3.23 118.95 122.80 3a12 s ARG 201 Ca 0.24 1.92 -0.09 0.00 -1.72 0.00 0.00 55.73 56.08 3a12 s ARG 201 Cb -0.00 -3.20 0.28 0.00 -0.45 0.00 0.00 34.95 31.58 3a12 s ARG 201 CO -0.07 -0.03 1.77 0.35 -0.68 0.00 0.00 175.30 176.64 3a12 h PHE 202 N 4.58 0.52 -0.84 -0.53 3.57 -1.85 -2.55 116.94 119.84 3a12 h PHE 202 Ca -0.46 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.04 3a12 h PHE 202 Cb 1.21 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 39.78 3a12 h PHE 202 CO 0.60 0.19 0.39 0.93 -2.23 0.00 0.00 178.31 178.19 3a12 h GLU 203 N 0.52 1.22 0.63 1.11 4.39 -1.95 -1.19 114.58 119.31 3a12 h GLU 203 Ca 0.31 -0.19 -0.03 0.00 0.34 0.00 0.00 59.36 59.79 3a12 h GLU 203 Cb 0.33 -0.21 0.01 0.00 -0.10 0.00 0.00 28.75 28.77 3a12 h GLU 203 CO -0.26 0.95 -0.30 0.93 -1.16 0.00 0.00 179.01 179.16 3a12 h GLU 204 N 1.20 -0.82 0.00 2.33 5.08 -1.87 -2.21 114.58 118.30 3a12 h GLU 204 Ca 0.29 0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.65 3a12 h GLU 204 Cb 0.14 0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 3a12 h GLU 204 CO -0.03 -0.53 -0.27 0.07 -1.00 0.00 0.00 179.01 177.25 3a12 h ARG 205 N -0.90 0.00 -0.17 2.33 0.11 -1.42 -0.99 114.38 113.34 3a12 h ARG 205 Ca -0.09 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.99 3a12 h ARG 205 Cb 0.67 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.74 3a12 h ARG 205 CO 0.14 0.27 0.11 0.00 0.10 0.00 0.00 179.97 180.58 3a12 h ALA 206 N 1.73 0.21 -0.02 0.08 0.00 -1.09 0.39 119.26 120.56 3a12 h ALA 206 Ca -0.00 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.70 3a12 h ALA 206 Cb 0.54 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3a12 h ALA 206 CO 0.03 -0.29 -0.78 1.05 0.00 0.00 0.00 179.25 179.26 3a12 h GLU 207 N 0.21 0.21 -0.05 0.00 4.11 -0.99 -0.28 114.58 117.80 3a12 h GLU 207 Ca 0.06 -0.20 0.02 0.00 0.07 0.00 0.00 59.36 59.31 3a12 h GLU 207 Cb 0.00 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 3a12 h GLU 207 CO -0.01 0.89 -0.07 0.82 0.07 0.00 0.00 179.01 180.71 3a12 h ILE 208 N 0.13 0.81 -0.78 -1.06 2.04 -1.02 -1.79 117.51 115.83 3a12 h ILE 208 Ca -0.03 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.81 3a12 h ILE 208 Cb 1.36 0.81 -0.04 0.00 -0.74 0.00 0.00 36.82 38.21 3a12 h ILE 208 CO 0.12 0.00 0.40 0.24 0.00 0.00 0.00 178.15 178.91 3a12 h MET 209 N -0.10 1.11 -0.36 2.37 2.86 -0.04 0.79 114.93 121.57 3a12 h MET 209 Ca 0.04 -0.15 0.08 0.00 -2.06 0.00 0.00 59.70 57.61 3a12 h MET 209 Cb 0.16 -0.21 -0.08 0.00 0.06 0.00 0.00 31.60 31.54 3a12 h MET 209 CO -0.11 0.84 -0.15 0.00 1.06 0.00 0.00 176.91 178.56 3a12 h ALA 210 N 1.21 0.15 0.21 6.32 0.00 -0.90 0.16 119.26 126.41 3a12 h ALA 210 Ca 0.27 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.31 3a12 h ALA 210 Cb 0.08 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3a12 h ALA 210 CO -0.04 -0.52 -0.10 1.57 0.00 0.00 0.00 179.25 180.16 3a12 h LYS 211 N -0.08 -0.27 -0.82 0.00 2.10 -0.85 -2.76 116.57 113.90 3a12 h LYS 211 Ca 0.18 0.02 0.07 0.00 -2.00 0.00 0.00 60.65 58.91 3a12 h LYS 211 Cb 0.35 0.06 -0.06 0.00 -0.90 0.00 0.00 32.23 31.68 3a12 h LYS 211 CO -0.41 -0.06 0.49 0.82 -2.00 0.00 0.00 179.45 178.29 3a12 h ILE 212 N -0.44 1.01 -0.65 0.07 2.04 -0.57 -1.77 117.51 117.19 3a12 h ILE 212 Ca -0.03 -0.30 -0.07 0.00 1.00 0.00 0.00 64.86 65.45 3a12 h ILE 212 Cb 0.34 0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 36.43 3a12 h ILE 212 CO 0.05 0.16 0.12 0.40 0.00 0.00 0.00 178.15 178.88 3a12 h ILE 213 N 0.89 1.26 -0.19 -0.67 2.04 -0.68 -0.75 117.51 119.41 3a12 h ILE 213 Ca 0.36 -1.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.20 3a12 h ILE 213 Cb 0.21 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 3a12 h ILE 213 CO -0.19 0.38 0.08 0.44 0.00 0.00 0.00 178.15 178.86 3a12 h ASP 214 N 0.99 0.25 0.24 1.72 3.32 -1.17 -0.95 116.42 120.83 3a12 h ASP 214 Ca 0.20 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 3a12 h ASP 214 Cb 0.42 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.90 3a12 h ASP 214 CO 0.01 0.34 -0.15 0.50 -1.72 0.00 0.00 179.24 178.22 3a12 h LYS 215 N 0.16 -0.36 -0.60 3.56 3.64 -1.17 -1.74 116.57 120.07 3a12 h LYS 215 Ca 0.06 0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.40 3a12 h LYS 215 Cb 0.16 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.04 3a12 h LYS 215 CO -0.01 -0.24 0.11 0.28 -2.27 0.00 0.00 179.45 177.32 3a12 h VAL 216 N -0.37 1.25 0.00 2.00 2.07 -1.13 -0.96 116.25 119.11 3a12 h VAL 216 Ca -0.02 -0.95 -0.03 0.00 0.82 0.00 0.00 66.70 66.52 3a12 h VAL 216 Cb 0.31 0.67 -0.00 0.00 -1.52 0.00 0.00 31.29 30.75 3a12 h VAL 216 CO 0.02 0.35 -0.15 -0.33 0.02 0.00 0.00 177.57 177.48 3a12 h GLU 217 N 0.91 0.00 0.01 1.57 5.08 -1.02 -1.71 114.58 119.42 3a12 h GLU 217 Ca 0.19 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.51 3a12 h GLU 217 Cb 0.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 3a12 h GLU 217 CO 0.01 0.15 -0.16 -0.97 -1.00 0.00 0.00 179.01 177.04 3a12 h ASN 218 N 0.00 0.13 0.20 1.42 -0.73 -0.32 -1.96 115.58 114.31 3a12 h ASN 218 Ca -0.00 -0.81 -0.16 0.00 1.87 0.00 0.00 56.30 57.20 3a12 h ASN 218 Cb 0.29 -0.04 -0.01 0.00 0.27 0.00 0.00 38.32 38.83 3a12 h ASN 218 CO 0.02 0.93 -0.60 -0.33 -0.37 0.00 0.00 177.43 177.08 3a12 h GLU 219 N -0.66 0.40 0.00 6.67 5.08 -1.09 -3.32 114.58 121.66 3a12 h GLU 219 Ca -0.02 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 3a12 h GLU 219 Cb 0.96 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.25 3a12 h GLU 219 CO 0.03 0.88 -1.53 0.25 -1.00 0.00 0.00 179.01 177.64 3a12 n THR 220 N -3.91 0.00 -0.96 1.13 -2.24 -0.65 -4.99 114.28 102.66 3a12 n THR 220 Ca -0.03 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 3a12 n THR 220 Cb 0.63 0.34 0.00 0.00 -2.10 0.00 0.00 70.33 69.20 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 1.47 0.36 3.87 3.38 0.00 -0.74 -5.02 105.19 108.51 3a12 n GLY 221 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.71 3.34 0.10 1.61 2.02 -1.25 -5.03 118.70 118.77 3a12 s GLU 222 Ca 0.00 -0.35 -0.28 0.00 0.02 0.00 0.00 54.97 54.36 3a12 s GLU 222 Cb 0.00 -3.04 -0.06 0.00 0.10 0.00 0.00 34.13 31.13 3a12 s GLU 222 CO 0.00 0.68 0.89 0.15 0.02 0.00 0.00 175.26 177.00 3a12 s LYS 223 N -1.79 4.64 0.33 1.61 -0.14 -1.26 -4.14 119.74 118.99 3a12 s LYS 223 Ca 0.25 1.32 0.05 0.00 -1.36 0.00 0.00 55.97 56.22 3a12 s LYS 223 Cb -0.12 -3.36 -0.06 0.00 -1.68 0.00 0.00 37.83 32.60 3a12 s LYS 223 CO 0.16 0.27 0.03 0.15 -0.76 0.00 0.00 175.35 175.20 3a12 s LYS 224 N -0.13 1.67 0.37 1.68 -0.14 -1.26 -4.93 119.74 117.01 3a12 s LYS 224 Ca 0.43 -1.91 -0.16 0.00 -1.36 0.00 0.00 55.97 52.97 3a12 s LYS 224 Cb -0.23 -1.02 0.05 0.00 -1.68 0.00 0.00 37.83 34.96 3a12 s LYS 224 CO 0.28 -0.13 0.77 -0.08 -0.76 0.00 0.00 175.35 175.42 3a12 s THR 225 N -3.17 0.00 -0.11 2.17 -1.32 -0.99 -5.02 115.64 107.20 3a12 s THR 225 Ca 0.35 -1.03 -0.05 0.00 -1.21 0.00 0.00 61.69 59.75 3a12 s THR 225 Cb 0.08 -2.78 0.05 0.00 -1.51 0.00 0.00 72.50 68.34 3a12 s THR 225 CO 0.15 0.00 0.24 0.86 -2.21 0.00 0.00 174.62 173.66 3a12 s TRP 226 N -2.51 -0.34 -0.83 9.09 -0.00 -1.26 -2.45 118.94 120.64 3a12 s TRP 226 Ca 0.16 0.82 -0.19 0.00 -0.00 0.00 0.00 56.10 56.88 3a12 s TRP 226 Cb -0.05 0.01 0.12 0.00 -0.00 0.00 0.00 33.47 33.55 3a12 s TRP 226 CO 0.11 -0.26 1.03 -0.06 -0.00 0.00 0.00 176.95 177.77 3a12 s PHE 227 N 1.61 3.04 -0.17 5.86 0.08 -0.02 -4.21 117.98 124.18 3a12 s PHE 227 Ca -0.06 -1.20 -0.22 0.00 0.12 0.00 0.00 56.93 55.57 3a12 s PHE 227 Cb -0.11 -4.23 -0.02 0.00 -0.57 0.00 0.00 43.02 38.08 3a12 s PHE 227 CO -0.08 -1.48 0.68 0.00 -0.10 0.00 0.00 175.22 174.24 3a12 s ALA 228 N 2.85 3.51 -0.54 5.36 0.00 -1.26 -2.06 121.76 129.61 3a12 s ALA 228 Ca 0.28 -0.14 -0.27 0.00 0.00 0.00 0.00 51.96 51.82 3a12 s ALA 228 Cb -0.10 -3.02 0.03 0.00 0.00 0.00 0.00 23.12 20.04 3a12 s ALA 228 CO -0.04 -0.50 1.12 1.21 0.00 0.00 0.00 175.76 177.55 3a12 s ASN 229 N 1.12 6.47 0.00 0.00 2.47 -1.26 0.70 114.94 124.44 3a12 s ASN 229 Ca 0.32 0.11 0.26 0.00 0.42 0.00 0.00 52.86 53.97 3a12 s ASN 229 Cb -0.16 -2.52 0.75 0.00 -1.45 0.00 0.00 41.25 37.86 3a12 s ASN 229 CO 0.12 -1.36 1.56 2.30 -3.72 0.00 0.00 177.10 176.00 3a12 n ILE 230 N 6.61 0.00 -1.71 -5.21 -5.35 -0.46 -4.79 119.36 108.46 3a12 n ILE 230 Ca 0.08 -0.10 -0.61 0.00 -0.27 0.00 0.00 62.75 61.85 3a12 n ILE 230 Cb 0.49 0.34 -0.08 0.00 -1.74 0.00 0.00 39.64 38.64 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 -0.82 0.16 -4.02 7.28 -1.04 -1.26 -4.28 114.28 110.31 3a12 n THR 231 Ca 0.11 -0.03 0.03 0.00 -2.04 0.00 0.00 64.05 62.13 3a12 n THR 231 Cb 0.34 -0.88 0.01 0.00 -1.82 0.00 0.00 70.33 67.99 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 4.49 -3.52 -0.88 2.41 0.00 -1.26 -4.87 120.51 116.87 3a12 n ALA 232 Ca 0.27 -0.73 -0.33 0.00 0.00 0.00 0.00 53.44 52.65 3a12 n ALA 232 Cb 0.06 0.10 0.13 0.00 0.00 0.00 0.00 19.45 19.74 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 -1.00 -0.74 -0.13 0.00 8.00 -1.26 -4.64 116.55 116.78 3a12 n ASP 233 Ca 0.05 0.44 -0.05 0.00 0.71 0.00 0.00 54.79 55.93 3a12 n ASP 233 Cb 0.55 -1.34 0.03 0.00 -0.02 0.00 0.00 41.12 40.34 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 -1.38 0.26 -1.34 0.64 5.85 -1.99 -1.73 115.31 115.62 3a12 h LEU 234 Ca -0.44 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.28 3a12 h LEU 234 Cb 1.29 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.29 3a12 h LEU 234 CO 0.39 0.19 0.10 -0.07 -0.34 0.00 0.00 178.44 178.71 3a12 h LEU 235 N 0.39 0.49 -0.37 2.25 3.38 -2.00 -1.33 115.31 118.12 3a12 h LEU 235 Ca 0.19 -0.06 -0.17 0.00 0.09 0.00 0.00 57.88 57.92 3a12 h LEU 235 Cb 0.12 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 3a12 h LEU 235 CO -0.15 0.49 -0.48 -0.33 0.09 0.00 0.00 178.44 178.06 3a12 h GLU 236 N 0.53 0.85 -0.71 1.13 3.07 -1.77 -2.28 114.58 115.41 3a12 h GLU 236 Ca 0.13 -0.50 0.02 0.00 -0.50 0.00 0.00 59.36 58.51 3a12 h GLU 236 Cb 0.20 0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 28.11 3a12 h GLU 236 CO -0.00 1.14 0.45 0.52 -1.40 0.00 0.00 179.01 179.72 3a12 h MET 237 N 0.67 0.87 -0.29 2.33 2.86 -0.83 -0.17 114.93 120.36 3a12 h MET 237 Ca 0.03 -0.05 0.02 0.00 -2.06 0.00 0.00 59.70 57.64 3a12 h MET 237 Cb 1.08 -0.20 -0.03 0.00 0.06 0.00 0.00 31.60 32.52 3a12 h MET 237 CO 0.11 0.57 0.14 0.93 1.06 0.00 0.00 176.91 179.72 3a12 h GLU 238 N 0.89 0.29 -0.66 1.72 5.08 -1.09 0.06 114.58 120.87 3a12 h GLU 238 Ca 0.28 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.67 3a12 h GLU 238 Cb -0.02 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.12 3a12 h GLU 238 CO -0.09 0.19 0.37 1.96 -1.00 0.00 0.00 179.01 180.44 3a12 h GLN 239 N 0.30 0.67 -0.34 2.33 4.20 -1.03 -1.77 115.11 119.47 3a12 h GLN 239 Ca 0.12 -0.04 -0.11 0.00 0.06 0.00 0.00 58.65 58.68 3a12 h GLN 239 Cb 0.05 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.66 3a12 h GLN 239 CO -0.09 0.45 -0.23 0.00 -0.67 0.00 0.00 178.83 178.28 3a12 h ARG 240 N 0.69 0.67 -0.83 1.46 3.08 -0.48 0.27 114.38 119.24 3a12 h ARG 240 Ca 0.29 -0.26 -0.03 0.00 0.07 0.00 0.00 59.98 60.05 3a12 h ARG 240 Cb 0.15 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.13 3a12 h ARG 240 CO -0.17 0.84 0.41 -0.07 -1.07 0.00 0.00 179.97 179.91 3a12 h LEU 241 N 0.59 1.09 -0.41 3.04 3.38 -0.68 -1.68 115.31 120.64 3a12 h LEU 241 Ca 0.08 -0.13 -0.09 0.00 0.09 0.00 0.00 57.88 57.83 3a12 h LEU 241 Cb 0.71 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 3a12 h LEU 241 CO 0.05 0.91 -0.09 -0.08 0.09 0.00 0.00 178.44 179.32 3a12 h GLU 242 N 1.18 0.78 -0.31 1.13 4.81 -0.75 -1.66 114.58 119.76 3a12 h GLU 242 Ca 0.29 -0.30 0.06 0.00 -0.13 0.00 0.00 59.36 59.28 3a12 h GLU 242 Cb 0.11 -0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.38 3a12 h GLU 242 CO -0.04 0.91 -0.09 0.28 -0.73 0.00 0.00 179.01 179.34 3a12 h VAL 243 N 0.60 0.65 -0.29 0.32 2.07 -0.75 0.12 116.25 118.97 3a12 h VAL 243 Ca 0.10 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.67 3a12 h VAL 243 Cb 0.62 0.65 -0.05 0.00 -1.52 0.00 0.00 31.29 30.99 3a12 h VAL 243 CO 0.04 0.00 0.01 -0.07 0.02 0.00 0.00 177.57 177.57 3a12 h LEU 244 N -0.02 -0.09 -0.81 2.57 3.38 -1.07 -2.35 115.31 116.91 3a12 h LEU 244 Ca 0.15 0.06 -0.08 0.00 0.09 0.00 0.00 57.88 58.10 3a12 h LEU 244 Cb 0.26 0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 3a12 h LEU 244 CO -0.34 -0.01 -0.00 0.00 0.09 0.00 0.00 178.44 178.18 3a12 h ALA 245 N 1.25 1.01 0.00 1.53 0.00 -0.84 -1.65 119.26 120.55 3a12 h ALA 245 Ca 0.14 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 3a12 h ALA 245 Cb 0.18 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 3a12 h ALA 245 CO -0.23 0.61 -0.15 -0.44 0.00 0.00 0.00 179.25 179.04 3a12 h ASP 246 N 0.82 0.00 0.18 0.00 3.32 -0.44 -2.10 116.42 118.21 3a12 h ASP 246 Ca 0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 3a12 h ASP 246 Cb 0.50 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.05 3a12 h ASP 246 CO 0.02 0.15 -0.28 0.18 -1.72 0.00 0.00 179.24 177.59 3a12 n LEU 247 N -3.63 1.21 -0.63 1.55 4.77 -0.91 -4.95 117.00 114.42 3a12 n LEU 247 Ca -0.01 -0.35 -0.08 0.00 -0.03 0.00 0.00 56.01 55.54 3a12 n LEU 247 Cb 0.28 -0.10 -0.03 0.00 -2.33 0.00 0.00 43.42 41.24 3a12 n LEU 247 CO 0.31 0.23 -0.08 0.61 -1.33 0.00 0.00 177.39 177.13 3a12 n GLY 248 N 1.35 0.81 3.73 -0.72 0.00 -0.79 -4.97 105.19 104.58 3a12 n GLY 248 Ca 0.12 -0.68 -0.29 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.79 1.70 -0.00 0.99 1.43 -0.65 -5.02 118.68 115.33 3a12 s LEU 249 Ca 0.00 0.96 0.00 0.00 -1.03 0.00 0.00 54.13 54.07 3a12 s LEU 249 Cb 0.00 -3.14 -0.00 0.00 0.03 0.00 0.00 46.19 43.07 3a12 s LEU 249 CO 0.00 -3.00 0.01 0.29 0.23 0.00 0.00 176.35 173.88 3a12 n LYS 250 N -4.06 2.13 -4.29 1.70 5.02 -1.26 -4.75 118.16 112.65 3a12 n LYS 250 Ca 0.07 -0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.17 3a12 n LYS 250 Cb 0.59 -0.86 -0.13 0.00 -0.02 0.00 0.00 35.03 34.61 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 -1.72 1.21 -0.03 2.13 3.76 -1.26 -0.80 115.29 118.59 3a12 s HIS 251 Ca -0.00 -0.39 0.04 0.00 -0.15 0.00 0.00 55.06 54.57 3a12 s HIS 251 Cb 0.00 -0.71 -0.01 0.00 1.11 0.00 0.00 32.58 32.98 3a12 s HIS 251 CO 0.01 0.04 -0.16 0.00 -0.85 0.00 0.00 174.74 173.79 3a12 s ALA 252 N -0.98 1.38 -0.10 -1.40 0.00 0.43 -4.09 121.76 116.99 3a12 s ALA 252 Ca 0.00 -0.65 -0.03 0.00 0.00 0.00 0.00 51.96 51.28 3a12 s ALA 252 Cb -0.08 -0.43 -0.03 0.00 0.00 0.00 0.00 23.12 22.57 3a12 s ALA 252 CO 0.02 0.28 0.03 1.41 0.00 0.00 0.00 175.76 177.49 3a12 s MET 253 N -0.08 3.15 -0.03 0.00 1.75 0.22 -0.07 119.30 124.24 3a12 s MET 253 Ca -0.00 -0.36 0.02 0.00 -1.25 0.00 0.00 55.69 54.09 3a12 s MET 253 Cb -0.09 -2.89 0.01 0.00 2.84 0.00 0.00 34.83 34.69 3a12 s MET 253 CO 0.01 0.67 -0.06 0.08 -0.65 0.00 0.00 175.02 175.08 3a12 s VAL 254 N -0.79 0.55 -0.98 10.11 1.01 0.06 -1.36 120.40 129.00 3a12 s VAL 254 Ca 0.12 -0.21 -0.23 0.00 0.00 0.00 0.00 61.98 61.66 3a12 s VAL 254 Cb -0.12 -0.52 0.03 0.00 0.00 0.00 0.00 36.38 35.77 3a12 s VAL 254 CO 0.02 0.19 1.57 -1.81 0.00 0.00 0.00 175.10 175.08 3a12 s ASP 255 N 0.41 6.15 0.32 3.32 1.01 -1.26 -0.59 116.67 126.04 3a12 s ASP 255 Ca -0.05 -1.22 0.04 0.00 0.71 0.00 0.00 52.55 52.02 3a12 s ASP 255 Cb -0.09 -2.57 0.56 0.00 1.01 0.00 0.00 42.92 41.83 3a12 s ASP 255 CO 0.00 -1.82 1.85 -0.37 0.21 0.00 0.00 175.17 175.04 3a12 h VAL 256 N 6.90 1.21 -0.22 -1.27 -1.51 -1.33 -0.60 116.25 119.43 3a12 h VAL 256 Ca 0.16 -0.85 -0.13 0.00 -1.23 0.00 0.00 66.70 64.65 3a12 h VAL 256 Cb 1.01 0.97 0.00 0.00 -2.13 0.00 0.00 31.29 31.14 3a12 h VAL 256 CO 1.37 0.29 -0.38 0.58 -1.23 0.00 0.00 177.57 178.20 3a12 h VAL 257 N 0.52 1.32 -0.32 7.19 2.07 -1.80 -2.04 116.25 123.19 3a12 h VAL 257 Ca 0.11 -1.60 -0.15 0.00 0.82 0.00 0.00 66.70 65.88 3a12 h VAL 257 Cb 0.37 1.81 -0.00 0.00 -1.52 0.00 0.00 31.29 31.95 3a12 h VAL 257 CO 0.01 0.50 -0.38 0.40 0.02 0.00 0.00 177.57 178.12 3a12 h ILE 258 N 0.33 1.29 -0.19 4.57 2.04 -1.68 -3.17 117.51 120.69 3a12 h ILE 258 Ca 0.01 -1.56 0.03 0.00 1.00 0.00 0.00 64.86 64.35 3a12 h ILE 258 Cb 0.97 1.53 -0.03 0.00 -0.74 0.00 0.00 36.82 38.56 3a12 h ILE 258 CO 0.09 0.51 -0.01 0.74 0.00 0.00 0.00 178.15 179.48 3a12 h THR 259 N 0.60 0.86 0.00 -0.27 2.02 -1.10 -3.48 112.91 111.54 3a12 h THR 259 Ca 0.04 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.20 3a12 h THR 259 Cb 0.97 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 68.18 3a12 h THR 259 CO 0.09 0.01 0.00 0.61 0.37 0.00 0.00 175.52 176.60 3a12 n GLY 260 N -1.18 1.48 0.18 2.16 0.00 -0.77 -4.70 105.19 102.36 3a12 n GLY 260 Ca -0.03 -1.99 -0.08 0.00 0.00 0.00 0.00 46.02 43.93 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 0.46 -0.91 1.61 4.06 -1.89 -3.10 115.95 116.18 3a12 h TRP 261 Ca 0.00 -0.18 0.11 0.00 2.06 0.00 0.00 58.89 60.87 3a12 h TRP 261 Cb 0.00 -0.08 -0.07 0.00 -1.00 0.00 0.00 29.16 28.01 3a12 h TRP 261 CO 0.00 0.89 0.58 0.78 -3.56 0.00 0.00 178.44 177.14 3a12 h GLY 262 N 1.34 1.33 -0.05 1.49 0.00 -2.00 -3.14 103.07 102.04 3a12 h GLY 262 Ca -0.01 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 46.95 3a12 h GLY 262 CO 0.11 0.18 -0.46 0.00 0.00 0.00 0.00 176.54 176.37 3a12 n ALA 263 N -2.40 3.29 -0.19 3.60 0.00 -1.24 -4.71 120.51 118.85 3a12 n ALA 263 Ca 0.16 -0.30 -0.09 0.00 0.00 0.00 0.00 53.44 53.21 3a12 n ALA 263 Cb 0.34 -0.37 0.02 0.00 0.00 0.00 0.00 19.45 19.43 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 0.11 0.84 -0.78 0.00 5.85 -1.48 -2.06 115.31 117.79 3a12 h LEU 264 Ca 0.00 -0.24 -0.07 0.00 0.84 0.00 0.00 57.88 58.40 3a12 h LEU 264 Cb 0.25 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 3a12 h LEU 264 CO 0.00 0.87 0.11 -0.09 -0.34 0.00 0.00 178.44 178.99 3a12 h ARG 265 N 0.78 1.03 -0.26 1.25 2.43 -1.84 -0.08 114.38 117.69 3a12 h ARG 265 Ca 0.17 -0.26 -0.01 0.00 -0.81 0.00 0.00 59.98 59.07 3a12 h ARG 265 Cb 0.37 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 3a12 h ARG 265 CO 0.01 0.94 0.14 -0.92 -1.51 0.00 0.00 179.97 178.62 3a12 h TYR 266 N 0.97 0.36 -0.96 2.20 3.20 -1.81 0.42 116.97 121.35 3a12 h TYR 266 Ca 0.20 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.07 3a12 h TYR 266 Cb 0.41 -0.11 -0.05 0.00 1.54 0.00 0.00 36.73 38.51 3a12 h TYR 266 CO 0.03 0.31 0.63 0.82 -1.64 0.00 0.00 178.16 178.31 3a12 h ILE 267 N 0.30 1.23 -0.51 1.81 1.08 -1.07 -0.42 117.51 119.92 3a12 h ILE 267 Ca 0.09 -0.44 -0.06 0.00 -0.39 0.00 0.00 64.86 64.07 3a12 h ILE 267 Cb 0.08 -0.16 -0.02 0.00 -3.07 0.00 0.00 36.82 33.64 3a12 h ILE 267 CO -0.01 0.23 0.10 -0.09 -0.69 0.00 0.00 178.15 177.69 3a12 h ARG 268 N 1.28 0.83 -0.49 2.37 1.12 -0.59 -1.21 114.38 117.69 3a12 h ARG 268 Ca 0.36 -0.21 -0.13 0.00 -1.11 0.00 0.00 59.98 58.88 3a12 h ARG 268 Cb -0.12 -0.10 -0.01 0.00 -0.01 0.00 0.00 29.97 29.73 3a12 h ARG 268 CO -0.09 0.81 -0.21 -0.44 -3.11 0.00 0.00 179.97 176.93 3a12 h ASP 269 N 0.71 1.03 -0.41 -3.80 3.32 -0.55 -1.67 116.42 115.06 3a12 h ASP 269 Ca 0.16 -0.39 -0.00 0.00 0.02 0.00 0.00 57.03 56.81 3a12 h ASP 269 Cb 0.37 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 3a12 h ASP 269 CO 0.01 1.19 0.24 0.25 -1.72 0.00 0.00 179.24 179.21 3a12 h LEU 270 N 0.86 0.50 -0.65 1.55 5.85 -0.96 0.88 115.31 123.34 3a12 h LEU 270 Ca 0.11 -0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 3a12 h LEU 270 Cb 0.79 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.67 3a12 h LEU 270 CO 0.07 0.41 0.29 0.00 -0.34 0.00 0.00 178.44 178.87 3a12 h ALA 271 N 1.10 0.84 -0.27 1.25 0.00 -1.11 -0.97 119.26 120.10 3a12 h ALA 271 Ca 0.15 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3a12 h ALA 271 Cb 0.01 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3a12 h ALA 271 CO -0.03 0.43 0.12 0.00 0.00 0.00 0.00 179.25 179.77 3a12 h ALA 272 N 1.12 0.35 -0.58 0.00 0.00 -1.08 0.33 119.26 119.40 3a12 h ALA 272 Ca 0.22 -0.10 0.12 0.00 0.00 0.00 0.00 54.91 55.15 3a12 h ALA 272 Cb 0.16 -0.11 -0.10 0.00 0.00 0.00 0.00 17.79 17.75 3a12 h ALA 272 CO -0.02 -0.08 0.01 -0.44 0.00 0.00 0.00 179.25 178.71 3a12 h ASP 273 N 0.30 -0.24 0.23 0.00 5.19 -0.50 0.47 116.42 121.86 3a12 h ASP 273 Ca 0.09 0.14 0.00 0.00 -0.62 0.00 0.00 57.03 56.64 3a12 h ASP 273 Cb 0.14 0.25 0.00 0.00 0.18 0.00 0.00 39.33 39.89 3a12 h ASP 273 CO -0.01 -0.09 0.00 -1.22 -3.12 0.00 0.00 179.24 174.80 3a12 n TYR 274 N -5.26 0.00 -2.48 4.55 4.01 -0.40 -4.89 117.16 112.70 3a12 n TYR 274 Ca 0.08 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.70 3a12 n TYR 274 Cb 0.33 -0.16 0.01 0.00 -0.31 0.00 0.00 39.34 39.21 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 0.51 -0.01 3.69 2.72 0.00 0.17 -4.91 105.19 107.35 3a12 n GLY 275 Ca 0.13 -0.35 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 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 -3.55 3.80 0.38 0.99 1.43 1.00 -4.92 118.68 117.80 3a12 s LEU 276 Ca 0.10 0.16 -0.24 0.00 -1.03 0.00 0.00 54.13 53.11 3a12 s LEU 276 Cb -0.04 -1.92 -0.09 0.00 0.03 0.00 0.00 46.19 44.16 3a12 s LEU 276 CO 0.12 0.29 1.01 0.00 0.23 0.00 0.00 176.35 178.00 3a12 s ALA 277 N -0.31 3.12 -0.17 4.21 0.00 0.02 -4.19 121.76 124.45 3a12 s ALA 277 Ca 0.08 0.63 -0.05 0.00 0.00 0.00 0.00 51.96 52.62 3a12 s ALA 277 Cb -0.12 -3.24 -0.03 0.00 0.00 0.00 0.00 23.12 19.73 3a12 s ALA 277 CO 0.02 -0.07 -0.01 0.42 0.00 0.00 0.00 175.76 176.11 3a12 s ILE 278 N -1.69 4.10 -0.25 0.00 1.01 -1.26 -0.43 121.20 122.68 3a12 s ILE 278 Ca 0.56 -0.28 -0.09 0.00 0.00 0.00 0.00 60.65 60.84 3a12 s ILE 278 Cb -0.20 -2.82 -0.04 0.00 0.01 0.00 0.00 42.46 39.41 3a12 s ILE 278 CO 0.25 0.48 0.12 -2.28 0.00 0.00 0.00 174.94 173.51 3a12 s HIS 279 N 0.46 3.17 -0.27 3.97 2.46 0.90 -1.85 115.29 124.14 3a12 s HIS 279 Ca -0.02 -0.11 -0.10 0.00 0.47 0.00 0.00 55.06 55.31 3a12 s HIS 279 Cb -0.14 -2.27 -0.04 0.00 -0.13 0.00 0.00 32.58 30.00 3a12 s HIS 279 CO 0.02 -0.19 0.15 0.20 -2.47 0.00 0.00 174.74 172.46 3a12 s GLY 280 N 1.47 1.88 -0.14 1.59 0.00 0.11 -0.76 107.32 111.47 3a12 s GLY 280 Ca 0.06 -1.10 -0.05 0.00 0.00 0.00 0.00 44.72 43.63 3a12 s GLY 280 CO 0.06 0.61 0.04 -1.58 0.00 0.00 0.00 173.10 172.24 3a12 s HIS 281 N 1.71 3.25 -0.24 1.90 2.46 0.24 -2.81 115.29 121.80 3a12 s HIS 281 Ca 0.07 0.14 0.14 0.00 0.47 0.00 0.00 55.06 55.87 3a12 s HIS 281 Cb -0.16 -1.95 0.81 0.00 -0.13 0.00 0.00 32.58 31.15 3a12 s HIS 281 CO 0.09 0.32 1.75 2.89 -2.47 0.00 0.00 174.74 177.32 3a12 n ARG 282 N 2.84 4.77 -1.47 2.88 1.85 -1.26 -0.82 116.66 125.45 3a12 n ARG 282 Ca -0.18 -3.16 -0.52 0.00 -1.00 0.00 0.00 57.85 53.00 3a12 n ARG 282 Cb 0.53 -2.26 -0.05 0.00 -1.05 0.00 0.00 32.46 29.64 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 0.52 -2.76 0.00 2.89 0.00 -1.26 -0.81 120.51 119.09 3a12 n ALA 283 Ca 0.29 0.50 0.00 0.00 0.00 0.00 0.00 53.44 54.22 3a12 n ALA 283 Cb 1.21 -1.74 0.00 0.00 0.00 0.00 0.00 19.45 18.92 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 1.27 0.00 -0.35 0.00 0.00 -1.26 -4.14 117.12 112.64 3a12 n MET 284 Ca 0.18 0.00 0.15 0.00 -0.00 0.00 0.00 57.70 58.03 3a12 n MET 284 Cb 0.19 -0.32 0.35 0.00 0.00 0.00 0.00 33.22 33.45 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 -1.39 -1.59 115.15 114.33 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 -0.31 0.00 0.00 -0.00 0.00 0.00 27.41 27.10 3a12 h HIS 285 CO 0.00 0.18 0.00 0.00 -0.00 0.00 0.00 177.93 178.11 3a12 h ALA 286 N 1.67 1.00 0.00 6.11 0.00 -1.92 0.84 119.26 126.96 3a12 h ALA 286 Ca 0.60 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.51 3a12 h ALA 286 Cb 1.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3a12 h ALA 286 CO -0.40 0.00 0.00 0.00 0.00 0.00 0.00 179.25 178.85 3a12 h ALA 287 N 2.03 1.00 0.00 0.00 0.00 -1.70 -3.30 119.26 117.29 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 0.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 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 -3.06 0.00 0.91 0.00 1.16 0.04 -4.84 117.46 111.67 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 0.08 0.00 0.10 0.00 -1.61 0.00 0.00 39.48 38.05 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 -0.20 0.02 -0.01 1.97 -2.24 0.07 -1.19 114.28 112.70 3a12 n THR 289 Ca 0.00 -0.51 -0.22 0.00 -2.27 0.00 0.00 64.05 61.06 3a12 n THR 289 Cb 0.01 1.45 -0.13 0.00 -2.10 0.00 0.00 70.33 69.55 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 4.38 0.22 -6.31 -0.78 2.43 -1.80 -3.42 114.38 109.10 3a12 h ARG 290 Ca 0.00 -0.37 -0.57 0.00 -0.81 0.00 0.00 59.98 58.23 3a12 h ARG 290 Cb 0.93 0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 30.59 3a12 h ARG 290 CO 0.00 1.18 1.18 1.21 -1.51 0.00 0.00 179.97 182.03 3a12 s ASN 291 N -7.02 6.18 0.00 -3.80 3.84 -1.26 -4.87 114.94 108.00 3a12 s ASN 291 Ca -0.23 1.39 0.07 0.00 0.21 0.00 0.00 52.86 54.30 3a12 s ASN 291 Cb 0.06 -2.53 0.33 0.00 -0.55 0.00 0.00 41.25 38.56 3a12 s ASN 291 CO 0.74 -1.46 1.13 -0.81 -2.79 0.00 0.00 177.10 173.91 3a12 n PRO 292 N 8.03 0.06 0.00 0.43 -0.04 -1.26 -2.24 135.00 139.98 3a12 n PRO 292 Ca 0.20 0.28 0.04 0.00 -0.04 0.00 0.00 63.50 63.98 3a12 n PRO 292 Cb 0.46 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.42 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 -1.36 0.00 -3.64 0.54 4.01 -1.26 -4.91 117.16 110.54 3a12 n TYR 293 Ca 0.03 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.71 3a12 n TYR 293 Cb 0.06 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.03 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 -1.29 -0.95 -0.22 -0.72 2.46 -0.95 -2.50 115.29 111.13 3a12 s HIS 294 Ca 0.07 1.89 0.00 0.00 0.47 0.00 0.00 55.06 57.49 3a12 s HIS 294 Cb 0.07 0.57 0.00 0.00 -0.13 0.00 0.00 32.58 33.08 3a12 s HIS 294 CO 0.23 -0.47 0.00 0.41 -2.47 0.00 0.00 174.74 172.44 3a12 n GLY 295 N 4.16 0.24 3.19 1.59 0.00 -0.23 -4.31 105.19 109.83 3a12 n GLY 295 Ca -0.20 -2.00 -0.28 0.00 0.00 0.00 0.00 46.02 43.54 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 -0.21 1.70 0.37 -0.61 1.01 -0.33 -1.03 121.20 122.09 3a12 s ILE 296 Ca 0.00 -0.86 -0.26 0.00 0.00 0.00 0.00 60.65 59.53 3a12 s ILE 296 Cb 0.00 -1.45 -0.09 0.00 0.01 0.00 0.00 42.46 40.93 3a12 s ILE 296 CO 0.00 0.48 1.13 -0.55 0.00 0.00 0.00 174.94 176.00 3a12 s SER 297 N 0.02 6.76 0.57 3.58 0.15 0.09 -3.69 113.70 121.18 3a12 s SER 297 Ca -0.06 2.27 0.27 0.00 0.70 0.00 0.00 55.95 59.14 3a12 s SER 297 Cb -0.13 -2.61 1.57 0.00 -1.71 0.00 0.00 66.02 63.13 3a12 s SER 297 CO 0.03 -0.50 2.07 -0.03 1.20 0.00 0.00 173.24 176.01 3a12 h MET 298 N 2.91 0.00 -0.72 5.44 4.05 -1.90 -0.76 114.93 123.95 3a12 h MET 298 Ca -0.48 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 58.94 3a12 h MET 298 Cb 1.22 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 31.99 3a12 h MET 298 CO 0.64 0.00 0.43 0.35 0.23 0.00 0.00 176.91 178.56 3a12 h PHE 299 N 0.00 0.94 -0.11 1.39 3.57 -1.90 0.19 116.94 121.02 3a12 h PHE 299 Ca 0.12 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.58 3a12 h PHE 299 Cb 0.60 -0.31 -0.00 0.00 2.79 0.00 0.00 35.95 39.03 3a12 h PHE 299 CO 0.00 0.62 -0.11 0.28 -2.23 0.00 0.00 178.31 176.87 3a12 h VAL 300 N 0.99 1.36 -0.07 1.41 2.07 -1.36 -2.39 116.25 118.26 3a12 h VAL 300 Ca 0.26 -1.26 0.03 0.00 0.82 0.00 0.00 66.70 66.54 3a12 h VAL 300 Cb -0.04 1.94 -0.03 0.00 -1.52 0.00 0.00 31.29 31.64 3a12 h VAL 300 CO -0.05 0.36 -0.09 -0.07 0.02 0.00 0.00 177.57 177.74 3a12 h LEU 301 N -0.12 -0.27 -0.39 2.57 3.38 -1.31 -0.78 115.31 118.38 3a12 h LEU 301 Ca 0.02 0.05 0.08 0.00 0.09 0.00 0.00 57.88 58.12 3a12 h LEU 301 Cb 0.63 0.13 -0.08 0.00 0.09 0.00 0.00 40.66 41.43 3a12 h LEU 301 CO 0.03 -0.12 -0.13 0.00 0.09 0.00 0.00 178.44 178.30 3a12 h ALA 302 N 0.93 0.20 -0.32 1.53 0.00 -0.63 0.48 119.26 121.45 3a12 h ALA 302 Ca 0.06 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 3a12 h ALA 302 Cb 0.20 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 3a12 h ALA 302 CO -0.14 -0.49 0.19 -0.22 0.00 0.00 0.00 179.25 178.59 3a12 h LYS 303 N -0.05 0.43 -0.52 0.00 3.64 -0.92 -1.70 116.57 117.45 3a12 h LYS 303 Ca 0.19 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.41 3a12 h LYS 303 Cb 0.34 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 3a12 h LYS 303 CO -0.43 0.32 -0.15 -0.07 -2.27 0.00 0.00 179.45 176.85 3a12 h LEU 304 N 0.41 1.03 -0.80 5.20 3.38 -0.64 -1.89 115.31 121.99 3a12 h LEU 304 Ca 0.11 -0.36 -0.12 0.00 0.09 0.00 0.00 57.88 57.60 3a12 h LEU 304 Cb 0.00 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 3a12 h LEU 304 CO -0.02 1.16 -0.39 1.88 0.09 0.00 0.00 178.44 181.16 3a12 h TYR 305 N 0.90 0.50 -0.49 1.13 0.05 -0.85 -1.61 116.97 116.60 3a12 h TYR 305 Ca 0.13 -0.14 -0.03 0.00 0.05 0.00 0.00 58.73 58.74 3a12 h TYR 305 Cb 0.73 -0.11 -0.02 0.00 1.01 0.00 0.00 36.73 38.33 3a12 h TYR 305 CO 0.05 0.76 0.18 -0.09 -1.05 0.00 0.00 178.16 178.00 3a12 h ARG 306 N 0.36 0.74 -0.33 4.88 2.43 -1.12 -0.61 114.38 120.73 3a12 h ARG 306 Ca 0.03 -0.14 -0.01 0.00 -0.81 0.00 0.00 59.98 59.05 3a12 h ARG 306 Cb 0.85 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.27 3a12 h ARG 306 CO 0.07 0.68 0.17 -0.07 -1.51 0.00 0.00 179.97 179.31 3a12 h LEU 307 N 0.65 0.42 -0.99 3.80 3.38 -1.10 -1.91 115.31 119.56 3a12 h LEU 307 Ca 0.16 -0.11 0.04 0.00 0.09 0.00 0.00 57.88 58.06 3a12 h LEU 307 Cb 0.23 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 40.81 3a12 h LEU 307 CO -0.01 0.41 0.65 0.40 0.09 0.00 0.00 178.44 179.97 3a12 h ILE 308 N 0.40 1.17 0.00 1.22 2.04 -1.21 -0.24 117.51 120.90 3a12 h ILE 308 Ca 0.11 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 65.54 3a12 h ILE 308 Cb 0.09 -0.19 0.00 0.00 -0.74 0.00 0.00 36.82 35.98 3a12 h ILE 308 CO -0.02 0.23 0.00 0.61 0.00 0.00 0.00 178.15 178.97 3a12 n GLY 309 N -1.37 1.90 3.68 5.37 0.00 -0.31 -4.10 105.19 110.37 3a12 n GLY 309 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.00 3.30 0.22 -0.61 -1.09 -0.77 -4.12 121.20 116.12 3a12 s ILE 310 Ca 0.00 0.62 0.06 0.00 -2.23 0.00 0.00 60.65 59.10 3a12 s ILE 310 Cb 0.00 -3.40 -0.09 0.00 -1.58 0.00 0.00 42.46 37.40 3a12 s ILE 310 CO 0.00 -0.02 1.49 0.44 -1.23 0.00 0.00 174.94 175.62 3a12 h ASP 311 N 8.74 0.14 -3.90 3.58 3.32 -1.81 -3.43 116.42 123.06 3a12 h ASP 311 Ca -0.41 -0.10 -0.37 0.00 0.02 0.00 0.00 57.03 56.17 3a12 h ASP 311 Cb 1.19 -0.04 -0.29 0.00 0.22 0.00 0.00 39.33 40.41 3a12 h ASP 311 CO 0.93 0.82 -0.77 -1.10 -1.72 0.00 0.00 179.24 177.41 3a12 s GLN 312 N -3.43 0.61 -0.07 3.56 -0.21 -0.77 0.08 119.66 119.43 3a12 s GLN 312 Ca -0.02 -0.23 -0.04 0.00 0.02 0.00 0.00 55.36 55.09 3a12 s GLN 312 Cb 0.11 -0.60 0.03 0.00 1.00 0.00 0.00 33.01 33.56 3a12 s GLN 312 CO 0.80 0.12 0.16 -1.17 -2.12 0.00 0.00 175.29 173.07 3a12 s LEU 313 N -0.02 0.96 0.12 2.90 2.96 -0.13 0.04 118.68 125.51 3a12 s LEU 313 Ca 0.01 0.32 -0.31 0.00 -0.22 0.00 0.00 54.13 53.93 3a12 s LEU 313 Cb -0.04 0.46 -0.09 0.00 0.50 0.00 0.00 46.19 47.01 3a12 s LEU 313 CO -0.00 -0.11 1.57 -1.00 -1.32 0.00 0.00 176.35 175.49 3a12 s HIS 314 N 0.76 2.87 0.00 5.38 3.76 -1.12 -0.51 115.29 126.43 3a12 s HIS 314 Ca -0.06 0.57 0.00 0.00 -0.15 0.00 0.00 55.06 55.42 3a12 s HIS 314 Cb -0.07 -3.91 0.00 0.00 1.11 0.00 0.00 32.58 29.71 3a12 s HIS 314 CO -0.04 -3.43 0.14 1.33 -0.85 0.00 0.00 174.74 171.90 3a12 n VAL 315 N 4.24 0.00 0.00 -0.90 0.24 -0.38 -4.84 118.33 116.68 3a12 n VAL 315 Ca 0.14 -0.40 0.00 0.00 -2.04 0.00 0.00 64.34 62.04 3a12 n VAL 315 Cb 0.40 1.07 0.00 0.00 -1.47 0.00 0.00 33.84 33.84 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 0.52 1.42 0.99 7.63 0.00 -1.24 -4.77 105.19 109.73 3a12 n GLY 316 Ca 0.00 -2.19 0.08 0.00 0.00 0.00 0.00 46.02 43.91 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 -0.38 1.87 -2.05 2.61 -2.24 -1.26 -4.34 114.28 108.49 3a12 n THR 317 Ca 0.00 -1.48 -0.14 0.00 -2.27 0.00 0.00 64.05 60.16 3a12 n THR 317 Cb 0.00 0.03 -0.03 0.00 -2.10 0.00 0.00 70.33 68.23 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 0.13 -0.55 0.00 6.98 0.00 -1.26 -2.02 120.51 123.79 3a12 n ALA 318 Ca 0.20 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.79 3a12 n ALA 318 Cb 0.78 -1.56 0.00 0.00 0.00 0.00 0.00 19.45 18.66 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 -0.63 2.11 0.18 0.00 0.00 -1.21 -3.99 105.19 101.65 3a12 n GLY 319 Ca -0.16 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.94 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 0.85 -4.27 4.61 0.00 -1.75 -3.48 119.26 115.22 3a12 h ALA 320 Ca 0.00 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 3a12 h ALA 320 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3a12 h ALA 320 CO 0.00 0.32 -0.01 0.41 0.00 0.00 0.00 179.25 179.98 3a12 n GLY 321 N 1.04 1.92 0.00 0.00 0.00 -1.26 -4.44 105.19 102.45 3a12 n GLY 321 Ca 0.03 -2.14 0.13 0.00 0.00 0.00 0.00 46.02 44.04 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 -1.13 0.04 -4.43 1.61 2.85 -0.36 -4.69 118.16 112.04 3a12 n LYS 322 Ca 0.02 -0.01 -0.32 0.00 -1.05 0.00 0.00 58.31 56.95 3a12 n LYS 322 Cb 0.06 -1.50 -0.10 0.00 -0.65 0.00 0.00 35.03 32.84 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 -2.97 3.18 0.62 -5.58 1.43 -1.26 -4.86 118.68 109.23 3a12 s LEU 323 Ca 0.14 -0.16 -0.19 0.00 -1.03 0.00 0.00 54.13 52.89 3a12 s LEU 323 Cb 0.19 -1.84 -0.03 0.00 0.03 0.00 0.00 46.19 44.54 3a12 s LEU 323 CO 0.57 0.27 1.13 1.21 0.23 0.00 0.00 176.35 179.76 3a12 n GLU 324 N 1.45 1.04 0.00 1.70 0.00 -1.26 -4.83 120.64 118.75 3a12 n GLU 324 Ca -0.15 0.41 0.00 0.00 0.00 0.00 0.00 57.16 57.41 3a12 n GLU 324 Cb 0.52 -2.34 0.00 0.00 0.00 0.00 0.00 31.44 29.62 3a12 n GLU 324 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3a12 n GLY 325 N 1.10 2.87 3.75 8.31 0.00 -1.26 -4.90 105.19 115.06 3a12 n GLY 325 Ca 0.14 0.12 -0.40 0.00 0.00 0.00 0.00 46.02 45.88 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 3.02 0.19 -0.02 0.00 -1.26 -3.30 107.32 105.95 3a12 s GLY 326 Ca 0.00 0.76 -0.21 0.00 0.00 0.00 0.00 44.72 45.27 3a12 s GLY 326 CO 0.00 1.44 1.59 1.70 0.00 0.00 0.00 173.10 177.83 3a12 h LYS 327 N 4.41 -0.16 -0.44 2.90 3.64 -1.96 -0.83 116.57 124.13 3a12 h LYS 327 Ca -0.45 0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 58.87 3a12 h LYS 327 Cb 1.21 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 33.05 3a12 h LYS 327 CO 0.69 -0.10 0.02 2.35 -2.27 0.00 0.00 179.45 180.14 3a12 h TRP 328 N -0.16 0.84 -0.56 1.91 7.01 -1.93 -1.95 115.95 121.10 3a12 h TRP 328 Ca 0.23 -0.14 0.08 0.00 2.11 0.00 0.00 58.89 61.17 3a12 h TRP 328 Cb 0.55 -0.22 -0.06 0.00 -2.10 0.00 0.00 29.16 27.33 3a12 h TRP 328 CO -0.64 0.81 0.21 -0.44 -2.79 0.00 0.00 178.44 175.60 3a12 h ASP 329 N 0.62 0.22 0.24 2.65 3.32 -1.77 -1.72 116.42 119.97 3a12 h ASP 329 Ca 0.13 0.07 -0.15 0.00 0.02 0.00 0.00 57.03 57.10 3a12 h ASP 329 Cb 0.46 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 3a12 h ASP 329 CO 0.02 0.14 -0.58 0.58 -1.72 0.00 0.00 179.24 177.69 3a12 h VAL 330 N 0.40 1.36 -0.80 -1.35 2.07 -0.99 -1.34 116.25 115.60 3a12 h VAL 330 Ca 0.27 -1.89 0.00 0.00 0.82 0.00 0.00 66.70 65.91 3a12 h VAL 330 Cb 0.31 1.90 -0.04 0.00 -1.52 0.00 0.00 31.29 31.94 3a12 h VAL 330 CO -0.27 0.57 0.50 0.40 0.02 0.00 0.00 177.57 178.79 3a12 h ILE 331 N 0.26 1.21 -0.15 4.57 2.04 -1.02 -0.33 117.51 124.10 3a12 h ILE 331 Ca -0.00 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 65.43 3a12 h ILE 331 Cb 1.09 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 3a12 h ILE 331 CO 0.10 0.22 0.09 1.56 0.00 0.00 0.00 178.15 180.12 3a12 h GLN 332 N 1.08 0.20 -0.45 2.37 1.08 -0.87 0.12 115.11 118.64 3a12 h GLN 332 Ca 0.29 -0.02 0.09 0.00 -1.45 0.00 0.00 58.65 57.56 3a12 h GLN 332 Cb -0.08 -0.04 -0.08 0.00 -0.05 0.00 0.00 27.48 27.22 3a12 h GLN 332 CO -0.06 0.15 -0.05 -0.91 -0.95 0.00 0.00 178.83 177.02 3a12 h ASN 333 N 0.19 -0.29 -0.85 1.46 2.35 -0.89 -0.25 115.58 117.29 3a12 h ASN 333 Ca 0.05 0.12 -0.01 0.00 -0.55 0.00 0.00 56.30 55.92 3a12 h ASN 333 Cb 0.00 0.23 -0.04 0.00 0.05 0.00 0.00 38.32 38.56 3a12 h ASN 333 CO -0.01 -0.10 0.51 0.00 -1.65 0.00 0.00 177.43 176.18 3a12 h ALA 334 N 1.42 1.08 -0.64 -0.83 0.00 -0.72 -2.99 119.26 116.59 3a12 h ALA 334 Ca 0.22 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 3a12 h ALA 334 Cb 0.33 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3a12 h ALA 334 CO -0.41 0.55 0.12 0.00 0.00 0.00 0.00 179.25 179.51 3a12 h ARG 335 N 1.17 1.04 0.00 0.00 3.08 0.67 -2.72 114.38 117.62 3a12 h ARG 335 Ca 0.30 -0.27 0.00 0.00 0.07 0.00 0.00 59.98 60.09 3a12 h ARG 335 Cb -0.04 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 29.88 3a12 h ARG 335 CO -0.06 0.96 0.00 0.97 -1.07 0.00 0.00 179.97 180.77 3a12 h ILE 336 N 0.96 0.00 0.00 2.04 6.09 -1.00 -2.10 117.51 123.50 3a12 h ILE 336 Ca 0.20 -0.42 -0.19 0.00 -1.37 0.00 0.00 64.86 63.08 3a12 h ILE 336 Cb 0.41 1.30 -0.03 0.00 0.47 0.00 0.00 36.82 38.96 3a12 h ILE 336 CO 0.01 0.00 -1.10 -0.07 -3.07 0.00 0.00 178.15 173.92 3a12 h LEU 337 N 0.00 0.00 0.00 2.19 3.38 -1.35 -3.41 115.31 116.12 3a12 h LEU 337 Ca 0.00 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.75 3a12 h LEU 337 Cb 0.56 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.27 3a12 h LEU 337 CO 0.00 0.77 -1.85 0.54 0.09 0.00 0.00 178.44 177.99 3a12 n ARG 338 N -3.15 1.89 -3.10 1.13 1.74 -1.09 -0.15 116.66 113.92 3a12 n ARG 338 Ca -0.05 -0.01 -0.36 0.00 -0.77 0.00 0.00 57.85 56.66 3a12 n ARG 338 Cb 0.88 -1.32 -0.06 0.00 -1.02 0.00 0.00 32.46 30.94 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 -2.33 4.24 0.24 5.56 2.02 -0.81 -4.60 118.70 123.03 3a12 s GLU 339 Ca -0.06 0.86 0.22 0.00 0.02 0.00 0.00 54.97 56.00 3a12 s GLU 339 Cb 0.04 -2.87 0.06 0.00 0.10 0.00 0.00 34.13 31.46 3a12 s GLU 339 CO 0.51 0.39 1.16 0.66 0.02 0.00 0.00 175.26 178.01 3a12 h SER 340 N 3.39 0.00 -2.66 -0.19 4.64 -1.91 -3.42 113.55 113.40 3a12 h SER 340 Ca -0.48 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.30 3a12 h SER 340 Cb 1.19 0.00 -0.39 0.00 -0.31 0.00 0.00 62.40 62.89 3a12 h SER 340 CO 0.65 0.08 -0.81 -2.28 -0.87 0.00 0.00 176.83 173.61 3a12 s HIS 341 N -3.27 0.46 -0.17 4.77 5.65 -1.26 -0.31 115.29 121.15 3a12 s HIS 341 Ca 0.01 -1.19 -0.23 0.00 0.25 0.00 0.00 55.06 53.91 3a12 s HIS 341 Cb 0.08 -0.88 -0.02 0.00 -1.18 0.00 0.00 32.58 30.58 3a12 s HIS 341 CO 0.76 -0.84 0.70 -0.47 -0.65 0.00 0.00 174.74 174.25 3a12 s TYR 342 N 1.64 3.41 -0.17 3.88 5.04 0.49 -4.95 117.35 126.70 3a12 s TYR 342 Ca 0.13 1.07 0.01 0.00 -2.44 0.00 0.00 57.07 55.85 3a12 s TYR 342 Cb -0.19 -2.87 0.01 0.00 0.35 0.00 0.00 41.96 39.26 3a12 s TYR 342 CO -0.19 -0.16 -0.19 0.15 -1.34 0.00 0.00 175.55 173.81 3a12 s LYS 343 N 1.86 3.05 0.61 4.97 1.02 -1.26 -1.35 119.74 128.63 3a12 s LYS 343 Ca 0.33 -0.82 -0.18 0.00 0.02 0.00 0.00 55.97 55.32 3a12 s LYS 343 Cb -0.16 -2.56 -0.03 0.00 -0.52 0.00 0.00 37.83 34.56 3a12 s LYS 343 CO 0.12 -0.12 1.19 -1.25 -0.92 0.00 0.00 175.35 174.36 3a12 s PRO 344 N 1.10 2.93 0.57 -1.68 0.04 -1.26 -4.97 135.00 131.72 3a12 s PRO 344 Ca 0.00 1.75 -0.18 0.00 0.04 0.00 0.00 61.00 62.61 3a12 s PRO 344 Cb -0.14 -1.93 -0.09 0.00 0.04 0.00 0.00 34.50 32.38 3a12 s PRO 344 CO -0.07 -1.22 0.49 -0.25 0.04 0.00 0.00 177.00 175.99 3a12 n ASP 345 N -1.74 -1.17 -0.20 6.66 8.00 -1.26 -4.85 116.55 122.00 3a12 n ASP 345 Ca 0.13 0.73 0.16 0.00 0.71 0.00 0.00 54.79 56.52 3a12 n ASP 345 Cb 0.50 -1.16 0.49 0.00 -0.02 0.00 0.00 41.12 40.93 3a12 n ASP 345 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 3a12 h GLU 346 N 0.21 0.43 -0.40 -1.24 9.09 -2.02 -0.10 114.58 120.56 3a12 h GLU 346 Ca -0.45 -0.03 0.00 0.00 0.05 0.00 0.00 59.36 58.93 3a12 h GLU 346 Cb 1.40 -0.10 0.00 0.00 -1.65 0.00 0.00 28.75 28.40 3a12 h GLU 346 CO 0.47 0.29 0.00 0.27 0.05 0.00 0.00 179.01 180.08 3a12 n ASN 347 N -4.50 2.91 -4.60 3.06 6.94 -1.26 -4.90 115.26 112.91 3a12 n ASN 347 Ca 0.16 -1.93 -0.43 0.00 -0.02 0.00 0.00 54.58 52.36 3a12 n ASN 347 Cb 0.57 -0.26 -0.02 0.00 -2.36 0.00 0.00 39.78 37.71 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 -1.34 6.19 0.00 0.53 -1.08 -0.05 -4.86 116.67 116.06 3a12 s ASP 348 Ca 0.37 0.93 0.26 0.00 -0.52 0.00 0.00 52.55 53.60 3a12 s ASP 348 Cb 0.21 -2.54 0.68 0.00 -1.46 0.00 0.00 42.92 39.81 3a12 s ASP 348 CO 0.29 -1.53 1.52 0.52 0.52 0.00 0.00 175.17 176.48 3a12 n VAL 349 N 7.18 0.00 -0.10 1.11 0.31 -1.26 -4.31 118.33 121.25 3a12 n VAL 349 Ca 0.18 -0.12 -0.10 0.00 -0.01 0.00 0.00 64.34 64.29 3a12 n VAL 349 Cb 0.48 0.43 -0.14 0.00 -0.91 0.00 0.00 33.84 33.69 3a12 n VAL 349 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3a12 n PHE 350 N -0.73 0.00 -4.97 3.52 3.72 -1.26 -4.97 117.46 112.77 3a12 n PHE 350 Ca 0.11 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.21 3a12 n PHE 350 Cb 0.35 -0.92 -0.15 0.00 -0.94 0.00 0.00 39.48 37.83 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 -2.45 2.32 0.31 1.38 3.76 -1.26 -4.36 115.29 114.98 3a12 s HIS 351 Ca -0.13 -0.42 0.04 0.00 -0.15 0.00 0.00 55.06 54.41 3a12 s HIS 351 Cb 0.06 -1.41 -0.02 0.00 1.11 0.00 0.00 32.58 32.32 3a12 s HIS 351 CO 0.73 0.10 0.46 -0.51 -0.85 0.00 0.00 174.74 174.67 3a12 s LEU 352 N -1.14 4.08 0.40 0.89 1.43 -1.26 -4.67 118.68 118.41 3a12 s LEU 352 Ca 0.11 0.07 -0.26 0.00 -1.03 0.00 0.00 54.13 53.02 3a12 s LEU 352 Cb -0.10 -2.93 -0.09 0.00 0.03 0.00 0.00 46.19 43.10 3a12 s LEU 352 CO 0.02 -0.30 1.34 -0.70 0.23 0.00 0.00 176.35 176.94 3a12 s GLU 353 N -4.16 3.97 -0.18 1.70 2.12 -1.26 -4.61 118.70 116.27 3a12 s GLU 353 Ca 0.40 2.24 -0.06 0.00 0.36 0.00 0.00 54.97 57.91 3a12 s GLU 353 Cb -0.09 -2.79 0.09 0.00 0.26 0.00 0.00 34.13 31.60 3a12 s GLU 353 CO 0.32 -0.52 0.37 -1.14 -0.54 0.00 0.00 175.26 173.74 3a12 s GLN 354 N -2.22 0.27 0.09 4.30 2.00 -0.46 -4.95 119.66 118.69 3a12 s GLN 354 Ca 0.56 0.89 -0.14 0.00 -2.00 0.00 0.00 55.36 54.67 3a12 s GLN 354 Cb -0.40 0.11 -0.06 0.00 0.80 0.00 0.00 33.01 33.46 3a12 s GLN 354 CO 0.52 -0.31 0.49 0.15 -0.50 0.00 0.00 175.29 175.63 3a12 s LYS 355 N 2.55 3.95 0.00 1.67 1.02 -1.26 -0.38 119.74 127.29 3a12 s LYS 355 Ca 0.01 0.44 0.10 0.00 0.02 0.00 0.00 55.97 56.54 3a12 s LYS 355 Cb -0.12 -3.05 0.04 0.00 -0.52 0.00 0.00 37.83 34.17 3a12 s LYS 355 CO -0.12 0.57 0.73 1.19 -0.92 0.00 0.00 175.35 176.80 3a12 n PHE 356 N 1.17 0.00 0.00 3.18 3.72 0.57 -4.93 117.46 121.17 3a12 n PHE 356 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 3a12 n PHE 356 Cb 0.52 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.06 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 0.17 0.00 -0.65 1.38 4.01 -1.25 -1.08 117.16 119.74 3a12 n TYR 357 Ca 0.05 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.88 3a12 n TYR 357 Cb 0.24 0.00 0.36 0.00 -0.31 0.00 0.00 39.34 39.63 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 6.51 4.82 -4.66 7.72 3.41 -1.26 -4.90 113.62 125.26 3a12 n SER 358 Ca 0.00 -2.49 -0.42 0.00 -0.26 0.00 0.00 58.87 55.70 3a12 n SER 358 Cb 0.00 -0.58 -0.03 0.00 -0.26 0.00 0.00 64.21 63.34 3a12 n SER 358 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3a12 s ILE 359 N -1.92 3.60 0.78 -1.33 -1.09 -0.24 -4.98 121.20 116.02 3a12 s ILE 359 Ca 0.51 0.72 -0.13 0.00 -2.23 0.00 0.00 60.65 59.52 3a12 s ILE 359 Cb 0.34 -3.47 0.07 0.00 -1.58 0.00 0.00 42.46 37.82 3a12 s ILE 359 CO 0.24 -0.06 1.17 -0.54 -1.23 0.00 0.00 174.94 174.51 3a12 s LYS 360 N 4.02 1.90 0.29 2.79 1.02 -1.26 -4.93 119.74 123.58 3a12 s LYS 360 Ca 0.73 1.59 -0.29 0.00 0.02 0.00 0.00 55.97 58.02 3a12 s LYS 360 Cb -0.33 -1.82 -0.10 0.00 -0.52 0.00 0.00 37.83 35.06 3a12 s LYS 360 CO 0.29 -1.98 1.14 0.00 -0.92 0.00 0.00 175.35 173.88 3a12 s ALA 361 N -2.32 3.42 0.12 5.17 0.00 -1.26 -4.57 121.76 122.31 3a12 s ALA 361 Ca 0.70 0.97 0.02 0.00 0.00 0.00 0.00 51.96 53.65 3a12 s ALA 361 Cb -0.25 -3.36 -0.04 0.00 0.00 0.00 0.00 23.12 19.47 3a12 s ALA 361 CO 0.50 -0.27 0.23 0.00 0.00 0.00 0.00 175.76 176.22 3a12 s ALA 362 N -1.17 3.92 -0.35 0.00 0.00 0.79 -0.83 121.76 124.11 3a12 s ALA 362 Ca 0.46 -0.99 -0.23 0.00 0.00 0.00 0.00 51.96 51.20 3a12 s ALA 362 Cb -0.33 -1.73 0.01 0.00 0.00 0.00 0.00 23.12 21.06 3a12 s ALA 362 CO 0.43 0.64 0.79 0.12 0.00 0.00 0.00 175.76 177.75 3a12 s PHE 363 N -1.64 3.13 0.31 0.00 2.19 0.11 -4.28 117.98 117.80 3a12 s PHE 363 Ca 0.34 0.62 -0.29 0.00 0.33 0.00 0.00 56.93 57.93 3a12 s PHE 363 Cb -0.12 -3.37 -0.10 0.00 -1.31 0.00 0.00 43.02 38.13 3a12 s PHE 363 CO 0.27 -0.70 1.17 -2.14 1.83 0.00 0.00 175.22 175.65 3a12 s PRO 364 N 3.08 4.48 -0.12 10.12 0.02 -1.26 -0.96 135.00 150.36 3a12 s PRO 364 Ca 0.32 1.92 0.03 0.00 0.02 0.00 0.00 61.00 63.29 3a12 s PRO 364 Cb -0.13 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.31 3a12 s PRO 364 CO 0.16 0.02 -0.22 0.99 -0.33 0.00 0.00 177.00 177.63 3a12 s THR 365 N -1.20 2.23 -0.17 0.99 2.01 0.34 -0.33 115.64 119.51 3a12 s THR 365 Ca 0.48 -0.95 -0.03 0.00 0.31 0.00 0.00 61.69 61.50 3a12 s THR 365 Cb -0.34 -1.88 -0.02 0.00 0.01 0.00 0.00 72.50 70.28 3a12 s THR 365 CO 0.44 0.55 -0.07 -0.44 -0.69 0.00 0.00 174.62 174.41 3a12 s SER 366 N 0.48 4.34 -0.24 3.53 0.01 0.03 -1.25 113.70 120.60 3a12 s SER 366 Ca -0.14 -0.30 -0.25 0.00 1.31 0.00 0.00 55.95 56.57 3a12 s SER 366 Cb -0.17 -1.71 0.07 0.00 0.21 0.00 0.00 66.02 64.42 3a12 s SER 366 CO 0.05 0.09 0.69 -0.55 0.41 0.00 0.00 173.24 173.94 3a12 s SER 367 N 0.81 -0.72 0.00 2.44 0.15 -1.26 -1.90 113.70 113.23 3a12 s SER 367 Ca -0.02 1.34 0.00 0.00 0.70 0.00 0.00 55.95 57.96 3a12 s SER 367 Cb -0.15 1.34 0.00 0.00 -1.71 0.00 0.00 66.02 65.50 3a12 s SER 367 CO 0.01 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 174.79 3a12 n GLY 368 N 2.53 2.30 2.05 9.45 0.00 -1.26 -4.67 105.19 115.58 3a12 n GLY 368 Ca -0.14 -0.54 -0.01 0.00 0.00 0.00 0.00 46.02 45.32 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 0.00 0.47 3.80 -0.02 0.00 -1.26 -1.23 105.19 106.96 3a12 n GLY 369 Ca 0.00 -0.63 -0.37 0.00 0.00 0.00 0.00 46.02 45.02 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 -0.17 4.44 0.32 0.99 1.43 -1.26 -4.58 118.68 119.84 3a12 s LEU 370 Ca 0.00 1.50 -0.02 0.00 -1.03 0.00 0.00 54.13 54.58 3a12 s LEU 370 Cb 0.00 -3.46 -0.01 0.00 0.03 0.00 0.00 46.19 42.75 3a12 s LEU 370 CO 0.00 0.10 0.43 -1.38 0.23 0.00 0.00 176.35 175.73 3a12 s HIS 371 N -1.38 1.09 0.59 0.29 -3.43 -1.26 -3.62 115.29 107.58 3a12 s HIS 371 Ca 0.40 -1.30 0.36 0.00 -0.80 0.00 0.00 55.06 53.73 3a12 s HIS 371 Cb -0.19 -0.17 2.05 0.00 -1.43 0.00 0.00 32.58 32.84 3a12 s HIS 371 CO 0.23 -1.06 2.28 -1.35 -2.00 0.00 0.00 174.74 172.84 3a12 h PRO 372 N 2.16 0.00 -0.00 -0.38 0.11 -1.92 -1.97 132.00 130.00 3a12 h PRO 372 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3a12 h PRO 372 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3a12 h PRO 372 CO 0.39 0.01 -0.05 0.41 -0.21 0.00 0.00 178.00 178.55 3a12 n GLY 373 N -1.10 -1.21 1.03 -0.55 0.00 -1.26 -4.14 105.19 97.95 3a12 n GLY 373 Ca -0.03 -0.18 0.02 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.22 0.50 0.03 1.61 6.94 -0.74 -4.32 115.26 118.05 3a12 n ASN 374 Ca 0.13 -1.98 0.11 0.00 -0.02 0.00 0.00 54.58 52.82 3a12 n ASN 374 Cb 0.27 -0.24 -0.05 0.00 -2.36 0.00 0.00 39.78 37.40 3a12 n ASN 374 CO 0.00 0.00 0.00 2.30 -1.03 0.00 0.00 177.26 178.53 3a12 n ILE 375 N 0.26 0.19 -0.10 1.53 -5.35 -1.20 -4.26 119.36 110.43 3a12 n ILE 375 Ca 0.03 -0.36 -0.09 0.00 -0.27 0.00 0.00 62.75 62.06 3a12 n ILE 375 Cb 0.93 0.10 -0.04 0.00 -1.74 0.00 0.00 39.64 38.90 3a12 n ILE 375 CO 0.00 0.00 0.00 -0.61 -1.76 0.00 0.00 176.55 174.18 3a12 h GLN 376 N 0.00 -0.31 -0.51 6.28 5.75 -1.86 0.24 115.11 124.70 3a12 h GLN 376 Ca 0.00 0.02 -0.04 0.00 -0.15 0.00 0.00 58.65 58.48 3a12 h GLN 376 Cb 0.84 0.07 -0.02 0.00 1.07 0.00 0.00 27.48 29.44 3a12 h GLN 376 CO 0.00 -0.21 0.16 -1.35 -2.65 0.00 0.00 178.83 174.78 3a12 h PRO 377 N -0.32 0.75 0.13 -2.39 0.11 -1.94 -0.46 132.00 127.87 3a12 h PRO 377 Ca 0.14 -0.13 -0.01 0.00 0.11 0.00 0.00 66.00 66.12 3a12 h PRO 377 Cb 0.57 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.56 3a12 h PRO 377 CO -0.53 0.65 -0.06 0.28 -0.21 0.00 0.00 178.00 178.12 3a12 h VAL 378 N 0.73 0.94 -0.56 3.15 2.07 -1.61 -1.38 116.25 119.59 3a12 h VAL 378 Ca 0.17 -0.26 -0.08 0.00 0.82 0.00 0.00 66.70 67.35 3a12 h VAL 378 Cb 0.21 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 3a12 h VAL 378 CO -0.01 0.06 0.03 0.40 0.02 0.00 0.00 177.57 178.07 3a12 h ILE 379 N -0.30 1.25 -0.38 4.57 2.04 -0.72 0.86 117.51 124.84 3a12 h ILE 379 Ca -0.02 -1.05 -0.02 0.00 1.00 0.00 0.00 64.86 64.78 3a12 h ILE 379 Cb 0.24 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 3a12 h ILE 379 CO 0.03 0.38 0.16 -0.33 0.00 0.00 0.00 178.15 178.39 3a12 h GLU 380 N 0.87 0.56 -0.39 2.37 5.08 -1.05 0.71 114.58 122.73 3a12 h GLU 380 Ca 0.17 -0.10 -0.14 0.00 -1.00 0.00 0.00 59.36 58.29 3a12 h GLU 380 Cb 0.47 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 3a12 h GLU 380 CO 0.02 0.53 -0.29 0.00 -1.00 0.00 0.00 179.01 178.27 3a12 h ALA 381 N 1.01 0.57 -0.00 3.43 0.00 -1.05 -3.36 119.26 119.86 3a12 h ALA 381 Ca 0.13 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3a12 h ALA 381 Cb 0.17 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3a12 h ALA 381 CO -0.01 0.60 -0.63 1.28 0.00 0.00 0.00 179.25 180.49 3a12 n LEU 382 N -4.15 0.71 0.00 0.00 4.77 0.28 -4.87 117.00 113.74 3a12 n LEU 382 Ca -0.02 -0.52 0.00 0.00 -0.03 0.00 0.00 56.01 55.44 3a12 n LEU 382 Cb 0.49 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 3a12 n LEU 382 CO 0.47 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 3a12 n GLY 383 N 1.31 -2.11 0.09 -0.72 0.00 0.25 -4.59 105.19 99.42 3a12 n GLY 383 Ca 0.03 -1.52 0.11 0.00 0.00 0.00 0.00 46.02 44.64 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 -0.09 0.48 -1.40 2.61 -2.24 -1.26 -4.50 114.28 107.88 3a12 n THR 384 Ca 0.00 -0.54 -0.39 0.00 -2.27 0.00 0.00 64.05 60.85 3a12 n THR 384 Cb 0.00 -0.26 -0.02 0.00 -2.10 0.00 0.00 70.33 67.95 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 -2.58 5.78 -4.20 3.42 8.00 -1.26 -2.87 116.55 122.85 3a12 n ASP 385 Ca -0.01 -2.66 -0.12 0.00 0.71 0.00 0.00 54.79 52.71 3a12 n ASP 385 Cb 0.56 -1.50 -0.10 0.00 -0.02 0.00 0.00 41.12 40.06 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 3.00 0.16 -0.17 0.53 -4.36 -1.26 -4.34 121.20 114.76 3a12 s ILE 386 Ca 0.56 -1.96 -0.06 0.00 -0.26 0.00 0.00 60.65 58.93 3a12 s ILE 386 Cb 0.15 -2.29 -0.04 0.00 1.25 0.00 0.00 42.46 41.53 3a12 s ILE 386 CO -0.05 -0.23 0.03 -0.69 0.24 0.00 0.00 174.94 174.24 3a12 s VAL 387 N -4.02 4.54 -0.18 8.37 1.01 0.56 -1.42 120.40 129.25 3a12 s VAL 387 Ca 0.31 -0.13 -0.07 0.00 0.00 0.00 0.00 61.98 62.10 3a12 s VAL 387 Cb 0.07 -3.02 -0.04 0.00 0.00 0.00 0.00 36.38 33.40 3a12 s VAL 387 CO 0.07 0.48 0.04 -0.76 0.00 0.00 0.00 175.10 174.94 3a12 s LEU 388 N 0.24 3.68 -0.22 3.92 1.43 0.49 -0.78 118.68 127.43 3a12 s LEU 388 Ca 0.02 0.03 -0.03 0.00 -1.03 0.00 0.00 54.13 53.12 3a12 s LEU 388 Cb -0.13 -1.92 -0.00 0.00 0.03 0.00 0.00 46.19 44.17 3a12 s LEU 388 CO 0.01 0.17 -0.06 -1.58 0.23 0.00 0.00 176.35 175.12 3a12 s GLN 389 N 0.39 3.26 -0.32 1.70 -0.44 -0.80 -1.61 119.66 121.84 3a12 s GLN 389 Ca 0.01 -0.70 0.03 0.00 -2.50 0.00 0.00 55.36 52.20 3a12 s GLN 389 Cb -0.13 -2.97 0.09 0.00 -1.64 0.00 0.00 33.01 28.36 3a12 s GLN 389 CO 0.01 -0.23 0.04 -0.51 0.50 0.00 0.00 175.29 175.09 3a12 s LEU 390 N 1.44 3.86 0.00 3.68 1.02 -0.90 -4.24 118.68 123.55 3a12 s LEU 390 Ca 0.05 -1.88 0.00 0.00 0.02 0.00 0.00 54.13 52.32 3a12 s LEU 390 Cb -0.14 -1.40 0.00 0.00 0.02 0.00 0.00 46.19 44.66 3a12 s LEU 390 CO -0.04 -0.36 0.00 0.61 0.02 0.00 0.00 176.35 176.58 3a12 n GLY 391 N 4.44 0.94 0.34 -3.19 0.00 -1.26 -3.78 105.19 102.67 3a12 n GLY 391 Ca -0.01 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.16 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 0.10 1.29 -0.02 0.00 -1.87 -1.10 103.07 101.47 3a12 h GLY 392 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.30 3a12 h GLY 392 CO 0.00 0.02 0.00 0.61 0.00 0.00 0.00 176.54 177.17 3a12 n GLY 393 N -1.59 -0.84 0.71 4.60 0.00 -1.24 -1.10 105.19 105.74 3a12 n GLY 393 Ca 0.05 -0.12 -0.08 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.14 0.83 0.21 2.61 -1.04 -0.51 -4.49 114.28 110.74 3a12 n THR 394 Ca 0.13 0.04 0.04 0.00 -2.04 0.00 0.00 64.05 62.22 3a12 n THR 394 Cb 0.12 -1.71 0.44 0.00 -1.82 0.00 0.00 70.33 67.36 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 -0.34 0.00 -0.36 -4.42 4.07 -1.33 -2.84 115.31 110.09 3a12 h LEU 395 Ca -0.15 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.81 3a12 h LEU 395 Cb 0.89 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.63 3a12 h LEU 395 CO -0.09 0.28 -0.01 0.61 -1.08 0.00 0.00 178.44 178.15 3a12 n GLY 396 N -0.70 -0.64 3.63 0.83 0.00 -0.26 -4.26 105.19 103.79 3a12 n GLY 396 Ca -0.02 -0.29 -0.47 0.00 0.00 0.00 0.00 46.02 45.24 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 -0.58 1.79 0.06 1.61 -0.00 -1.07 -4.84 115.22 112.17 3a12 n HIS 397 Ca 0.21 0.53 0.11 0.00 -0.00 0.00 0.00 57.72 58.58 3a12 n HIS 397 Cb 0.21 -2.38 0.57 0.00 -0.00 0.00 0.00 29.99 28.39 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 3.95 0.21 -0.65 1.57 0.11 -1.90 -0.12 132.00 135.17 3a12 h PRO 398 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3a12 h PRO 398 Cb 1.30 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3a12 h PRO 398 CO 0.74 0.14 0.00 -0.25 -0.21 0.00 0.00 178.00 178.42 3a12 n ASP 399 N -4.47 4.42 0.00 -2.05 8.00 -1.26 -5.05 116.55 116.13 3a12 n ASP 399 Ca 0.05 -2.56 0.00 0.00 0.71 0.00 0.00 54.79 52.99 3a12 n ASP 399 Cb 0.28 -0.59 0.00 0.00 -0.02 0.00 0.00 41.12 40.80 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 0.76 0.68 0.36 0.44 0.00 -0.06 -4.43 105.19 102.94 3a12 n GLY 400 Ca 0.22 -1.85 -0.02 0.00 0.00 0.00 0.00 46.02 44.38 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 1.24 -0.58 1.61 0.11 -1.77 0.23 132.00 132.84 3a12 h PRO 401 Ca 0.00 -0.07 -0.03 0.00 0.11 0.00 0.00 66.00 66.00 3a12 h PRO 401 Cb 0.00 -0.28 -0.03 0.00 0.11 0.00 0.00 31.00 30.81 3a12 h PRO 401 CO 0.00 0.82 0.23 0.00 -0.21 0.00 0.00 178.00 178.84 3a12 h ALA 402 N 1.37 0.75 -0.34 -0.75 0.00 -1.88 -0.67 119.26 117.74 3a12 h ALA 402 Ca 0.36 -0.17 -0.15 0.00 0.00 0.00 0.00 54.91 54.96 3a12 h ALA 402 Cb -0.10 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 3a12 h ALA 402 CO -0.09 0.37 -0.37 0.00 0.00 0.00 0.00 179.25 179.16 3a12 h ALA 403 N 1.08 0.71 -0.66 0.00 0.00 -1.64 -2.69 119.26 116.06 3a12 h ALA 403 Ca 0.19 -0.44 0.10 0.00 0.00 0.00 0.00 54.91 54.76 3a12 h ALA 403 Cb 0.21 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 17.80 3a12 h ALA 403 CO -0.02 0.66 0.28 0.78 0.00 0.00 0.00 179.25 180.96 3a12 h GLY 404 N 0.91 0.95 0.76 0.00 0.00 -0.02 -1.34 103.07 104.32 3a12 h GLY 404 Ca 0.06 -0.16 -0.02 0.00 0.00 0.00 0.00 47.33 47.21 3a12 h GLY 404 CO 0.08 0.00 -0.00 0.00 0.00 0.00 0.00 176.54 176.63 3a12 h ALA 405 N 1.43 0.15 -0.67 3.60 0.00 -1.02 -1.99 119.26 120.77 3a12 h ALA 405 Ca 0.33 -0.19 0.12 0.00 0.00 0.00 0.00 54.91 55.17 3a12 h ALA 405 Cb 0.39 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 3a12 h ALA 405 CO -0.30 -0.15 0.45 0.00 0.00 0.00 0.00 179.25 179.25 3a12 h ARG 406 N -0.07 0.39 -0.22 0.00 3.08 -1.22 -1.73 114.38 114.62 3a12 h ARG 406 Ca 0.03 -0.02 -0.05 0.00 0.07 0.00 0.00 59.98 60.01 3a12 h ARG 406 Cb 0.36 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 3a12 h ARG 406 CO 0.01 0.26 -0.08 0.00 -1.07 0.00 0.00 179.97 179.09 3a12 h ALA 407 N 1.67 0.30 -0.45 0.04 0.00 -0.85 -1.37 119.26 118.60 3a12 h ALA 407 Ca 0.32 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3a12 h ALA 407 Cb 0.69 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 3a12 h ALA 407 CO -0.09 0.11 0.29 0.28 0.00 0.00 0.00 179.25 179.84 3a12 h VAL 408 N 0.15 1.12 0.00 0.00 2.07 -0.63 0.06 116.25 119.02 3a12 h VAL 408 Ca 0.05 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 67.32 3a12 h VAL 408 Cb 0.55 0.47 -0.00 0.00 -1.52 0.00 0.00 31.29 30.78 3a12 h VAL 408 CO 0.03 0.11 -0.15 0.03 0.02 0.00 0.00 177.57 177.61 3a12 h ARG 409 N 0.60 0.00 -0.08 1.57 2.47 -1.28 -1.67 114.38 115.99 3a12 h ARG 409 Ca 0.16 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.80 3a12 h ARG 409 Cb -0.06 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.26 3a12 h ARG 409 CO -0.03 0.15 -0.26 1.96 0.56 0.00 0.00 179.97 182.34 3a12 h GLN 410 N 0.00 0.32 -0.76 0.04 4.20 -0.15 -1.56 115.11 117.21 3a12 h GLN 410 Ca -0.00 -0.24 0.08 0.00 0.06 0.00 0.00 58.65 58.56 3a12 h GLN 410 Cb 0.44 0.04 -0.07 0.00 0.30 0.00 0.00 27.48 28.19 3a12 h GLN 410 CO 0.02 0.86 0.42 0.00 -0.67 0.00 0.00 178.83 179.46 3a12 h ALA 411 N 0.46 1.05 -0.40 3.87 0.00 -0.58 -1.08 119.26 122.58 3a12 h ALA 411 Ca -0.01 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 3a12 h ALA 411 Cb 0.89 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 3a12 h ALA 411 CO 0.06 0.06 0.04 0.82 0.00 0.00 0.00 179.25 180.23 3a12 h ILE 412 N 0.72 1.25 -0.33 0.00 2.04 -1.29 -0.67 117.51 119.23 3a12 h ILE 412 Ca 0.36 -0.92 0.07 0.00 1.00 0.00 0.00 64.86 65.38 3a12 h ILE 412 Cb 0.31 1.07 -0.08 0.00 -0.74 0.00 0.00 36.82 37.38 3a12 h ILE 412 CO -0.23 0.31 -0.21 0.44 0.00 0.00 0.00 178.15 178.46 3a12 h ASP 413 N 0.52 -0.71 0.13 1.72 3.32 -0.70 0.30 116.42 120.99 3a12 h ASP 413 Ca 0.12 0.15 -0.00 0.00 0.02 0.00 0.00 57.03 57.31 3a12 h ASP 413 Cb 0.41 0.36 -0.00 0.00 0.22 0.00 0.00 39.33 40.31 3a12 h ASP 413 CO 0.01 -0.25 -0.09 0.00 -1.72 0.00 0.00 179.24 177.20 3a12 h ALA 414 N 1.00 -0.20 -0.94 3.45 0.00 -0.82 -2.22 119.26 119.54 3a12 h ALA 414 Ca 0.17 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.06 3a12 h ALA 414 Cb 0.43 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 3a12 h ALA 414 CO -0.44 -0.62 0.62 0.82 0.00 0.00 0.00 179.25 179.63 3a12 h ILE 415 N -0.22 1.24 0.00 0.00 2.04 -0.92 -0.55 117.51 119.10 3a12 h ILE 415 Ca -0.01 -0.43 -0.02 0.00 1.00 0.00 0.00 64.86 65.39 3a12 h ILE 415 Cb 0.19 -0.14 -0.00 0.00 -0.74 0.00 0.00 36.82 36.13 3a12 h ILE 415 CO 0.00 0.23 -0.11 0.24 0.00 0.00 0.00 178.15 178.51 3a12 h MET 416 N 1.26 0.00 0.00 2.37 2.86 -0.62 -2.95 114.93 117.85 3a12 h MET 416 Ca 0.35 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.99 3a12 h MET 416 Cb -0.14 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.52 3a12 h MET 416 CO -0.08 0.11 -1.28 1.04 1.06 0.00 0.00 176.91 177.76 3a12 n GLN 417 N -3.96 0.24 -0.51 1.72 6.02 -0.39 -4.98 117.38 115.51 3a12 n GLN 417 Ca -0.02 -0.06 0.00 0.00 -0.01 0.00 0.00 57.00 56.91 3a12 n GLN 417 Cb 0.20 -1.52 0.00 0.00 1.02 0.00 0.00 30.24 29.94 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 1.41 0.73 3.39 1.08 0.00 -0.36 -5.06 105.19 106.38 3a12 n GLY 418 Ca 0.01 -0.53 -0.38 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.00 4.35 0.13 -0.61 1.01 -0.67 -5.03 121.20 118.38 3a12 s ILE 419 Ca 0.00 -0.62 -0.34 0.00 0.00 0.00 0.00 60.65 59.69 3a12 s ILE 419 Cb 0.00 -3.28 -0.17 0.00 0.01 0.00 0.00 42.46 39.02 3a12 s ILE 419 CO 0.00 0.00 1.02 -2.65 0.00 0.00 0.00 174.94 173.32 3a12 n PRO 420 N 4.94 0.64 -0.20 2.79 -0.02 -1.26 -4.31 135.00 137.57 3a12 n PRO 420 Ca -0.14 0.23 0.02 0.00 -2.02 0.00 0.00 63.50 61.60 3a12 n PRO 420 Cb 0.48 -1.64 0.28 0.00 -0.02 0.00 0.00 33.50 32.60 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 2.87 0.79 -1.22 2.45 4.07 -1.95 0.34 115.31 122.67 3a12 h LEU 421 Ca -0.43 -0.01 0.03 0.00 0.08 0.00 0.00 57.88 57.55 3a12 h LEU 421 Cb 1.38 -0.19 -0.05 0.00 1.08 0.00 0.00 40.66 42.89 3a12 h LEU 421 CO 0.67 0.56 0.54 0.44 -1.08 0.00 0.00 178.44 179.56 3a12 h ASP 422 N 0.93 0.88 0.01 -0.43 3.32 -1.99 -1.15 116.42 117.99 3a12 h ASP 422 Ca 0.28 -0.01 -0.12 0.00 0.02 0.00 0.00 57.03 57.20 3a12 h ASP 422 Cb -0.00 -0.21 0.01 0.00 0.22 0.00 0.00 39.33 39.35 3a12 h ASP 422 CO -0.08 0.61 -0.47 -0.08 -1.72 0.00 0.00 179.24 177.50 3a12 h GLU 423 N 1.03 0.30 -0.24 3.56 4.81 -1.47 -3.32 114.58 119.25 3a12 h GLU 423 Ca 0.32 -0.34 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 3a12 h GLU 423 Cb 0.02 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 3a12 h GLU 423 CO -0.09 1.05 -0.00 -0.92 -0.73 0.00 0.00 179.01 178.31 3a12 h TYR 424 N -0.30 0.35 0.00 0.92 5.03 -0.89 -2.55 116.97 119.52 3a12 h TYR 424 Ca -0.06 -0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.22 3a12 h TYR 424 Cb 1.22 -0.11 0.00 0.00 1.55 0.00 0.00 36.73 39.40 3a12 h TYR 424 CO 0.17 0.36 0.00 0.00 -1.32 0.00 0.00 178.16 177.37 3a12 n ALA 425 N -2.49 1.65 -0.09 1.82 0.00 -0.45 -2.50 120.51 118.45 3a12 n ALA 425 Ca 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 53.44 53.39 3a12 n ALA 425 Cb 0.20 -1.25 0.24 0.00 0.00 0.00 0.00 19.45 18.64 3a12 n ALA 425 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3a12 h LYS 426 N 0.00 0.74 -0.17 0.00 6.56 -1.59 -3.11 116.57 119.00 3a12 h LYS 426 Ca 0.00 -0.14 -0.03 0.00 -1.06 0.00 0.00 60.65 59.43 3a12 h LYS 426 Cb 0.26 -0.12 -0.02 0.00 -0.57 0.00 0.00 32.23 31.78 3a12 h LYS 426 CO 0.00 0.66 -0.04 0.25 -2.06 0.00 0.00 179.45 178.26 3a12 n THR 427 N -4.30 2.19 -3.49 -0.16 -2.24 -1.04 -4.88 114.28 100.37 3a12 n THR 427 Ca 0.03 -2.22 -0.25 0.00 -2.27 0.00 0.00 64.05 59.34 3a12 n THR 427 Cb 0.21 -0.26 -0.13 0.00 -2.10 0.00 0.00 70.33 68.05 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 -2.94 0.04 0.13 4.78 3.76 -1.18 -5.05 115.29 114.84 3a12 s HIS 428 Ca 0.39 -0.64 -0.19 0.00 -0.15 0.00 0.00 55.06 54.47 3a12 s HIS 428 Cb 0.33 -0.74 -0.04 0.00 1.11 0.00 0.00 32.58 33.24 3a12 s HIS 428 CO 0.05 -0.86 1.75 1.57 -0.85 0.00 0.00 174.74 176.39 3a12 h LYS 429 N 8.33 0.17 -0.54 1.40 -0.00 -1.90 -1.11 116.57 122.93 3a12 h LYS 429 Ca -0.17 -0.01 0.03 0.00 -0.00 0.00 0.00 60.65 60.50 3a12 h LYS 429 Cb 1.03 -0.04 -0.04 0.00 -0.00 0.00 0.00 32.23 33.19 3a12 h LYS 429 CO 0.40 0.11 0.31 0.93 -0.00 0.00 0.00 179.45 181.20 3a12 h GLU 430 N 0.17 0.60 -0.26 0.07 3.07 -1.94 0.44 114.58 116.74 3a12 h GLU 430 Ca 0.09 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.91 3a12 h GLU 430 Cb 0.05 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 27.81 3a12 h GLU 430 CO -0.09 0.40 0.17 1.25 -1.40 0.00 0.00 179.01 179.34 3a12 h LEU 431 N 0.62 0.30 -0.78 1.33 5.85 -1.77 -0.99 115.31 119.87 3a12 h LEU 431 Ca 0.22 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.94 3a12 h LEU 431 Cb 0.05 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 40.97 3a12 h LEU 431 CO -0.11 0.22 0.51 0.00 -0.34 0.00 0.00 178.44 178.72 3a12 h ALA 432 N 1.09 0.99 -0.14 1.25 0.00 -0.27 -1.17 119.26 121.01 3a12 h ALA 432 Ca 0.09 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 3a12 h ALA 432 Cb -0.03 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 3a12 h ALA 432 CO -0.02 0.39 -0.13 0.00 0.00 0.00 0.00 179.25 179.49 3a12 h ARG 433 N 1.05 0.23 -0.17 0.00 2.47 0.12 -0.36 114.38 117.71 3a12 h ARG 433 Ca 0.29 -0.05 -0.06 0.00 -1.26 0.00 0.00 59.98 58.90 3a12 h ARG 433 Cb -0.11 -0.03 -0.00 0.00 -1.65 0.00 0.00 29.97 28.17 3a12 h ARG 433 CO -0.06 0.37 -0.12 0.00 0.56 0.00 0.00 179.97 180.71 3a12 h ALA 434 N 1.66 0.25 -0.25 0.04 0.00 -0.12 -2.78 119.26 118.06 3a12 h ALA 434 Ca 0.04 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 3a12 h ALA 434 Cb 0.37 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3a12 h ALA 434 CO 0.02 0.11 0.10 -0.07 0.00 0.00 0.00 179.25 179.41 3a12 h LEU 435 N 0.06 0.31 -1.07 0.00 3.38 -0.83 -0.59 115.31 116.57 3a12 h LEU 435 Ca 0.03 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 3a12 h LEU 435 Cb 0.63 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 3a12 h LEU 435 CO 0.03 0.29 -0.07 -0.08 0.09 0.00 0.00 178.44 178.71 3a12 h GLU 436 N 0.35 0.58 0.12 1.13 4.81 -0.94 0.40 114.58 121.03 3a12 h GLU 436 Ca 0.09 -0.16 -0.23 0.00 -0.13 0.00 0.00 59.36 58.93 3a12 h GLU 436 Cb 0.08 -0.07 0.01 0.00 0.63 0.00 0.00 28.75 29.40 3a12 h GLU 436 CO -0.01 0.65 -1.13 -0.22 -0.73 0.00 0.00 179.01 177.58 3a12 h LYS 437 N 0.54 0.26 0.00 1.92 3.64 -1.07 -3.42 116.57 118.44 3a12 h LYS 437 Ca 0.11 -0.44 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 3a12 h LYS 437 Cb 0.45 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.44 3a12 h LYS 437 CO 0.02 1.21 -1.17 0.91 -2.27 0.00 0.00 179.45 178.16 3a12 n TRP 438 N -4.04 0.00 -0.90 1.91 8.01 -0.30 -5.08 117.44 117.04 3a12 n TRP 438 Ca -0.20 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 55.99 3a12 n TRP 438 Cb 0.85 -0.15 0.00 0.00 -2.01 0.00 0.00 31.31 30.01 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 1.86 3.36 0.95 6.99 0.00 0.14 -1.86 105.19 116.63 3a12 n GLY 439 Ca -0.01 -0.14 -0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 0.68 -2.36 1.61 8.25 -1.26 -4.12 115.22 132.01 3a12 n HIS 440 Ca 0.00 -1.56 -0.39 0.00 -0.26 0.00 0.00 57.72 55.51 3a12 n HIS 440 Cb 0.00 -0.40 -0.03 0.00 1.12 0.00 0.00 29.99 30.68 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 -3.24 3.28 -0.50 1.59 0.11 -0.78 -4.79 120.40 116.06 3a12 s VAL 441 Ca 0.42 1.13 -0.18 0.00 -2.93 0.00 0.00 61.98 60.43 3a12 s VAL 441 Cb 0.39 -3.66 0.07 0.00 -1.53 0.00 0.00 36.38 31.65 3a12 s VAL 441 CO -0.03 0.15 0.54 -0.89 -3.33 0.00 0.00 175.10 171.55 3a12 s THR 442 N -1.36 5.02 0.39 5.04 2.01 -1.26 -4.83 115.64 120.65 3a12 s THR 442 Ca 0.53 -0.82 -0.27 0.00 0.31 0.00 0.00 61.69 61.44 3a12 s THR 442 Cb -0.31 -4.26 -0.10 0.00 0.01 0.00 0.00 72.50 67.85 3a12 s THR 442 CO 0.39 -0.76 1.37 -2.84 -0.69 0.00 0.00 174.62 172.09 3a12 s PRO 443 N 2.21 4.05 0.00 4.92 0.02 -1.26 -4.97 135.00 139.96 3a12 s PRO 443 Ca 0.10 2.32 0.00 0.00 0.02 0.00 0.00 61.00 63.44 3a12 s PRO 443 Cb -0.22 -2.87 0.00 0.00 0.02 0.00 0.00 34.50 31.43 3a12 s PRO 443 CO 0.09 -0.49 0.00 0.28 -0.33 0.00 0.00 177.00 176.55