#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a12 n TYR 9 N 0.00 0.00 0.30 4.28 4.01 -1.26 -4.43 117.16 120.06 3a12 n TYR 9 Ca 0.00 0.00 0.17 0.00 -0.16 0.00 0.00 57.90 57.91 3a12 n TYR 9 Cb 0.00 -0.04 0.72 0.00 -0.31 0.00 0.00 39.34 39.71 3a12 n TYR 9 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 3a12 h ASP 10 N 1.63 0.00 0.05 7.72 3.32 -1.93 -2.61 116.42 124.60 3a12 h ASP 10 Ca 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 3a12 h ASP 10 Cb 0.65 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.20 3a12 h ASP 10 CO 0.00 0.00 -0.03 0.22 -1.72 0.00 0.00 179.24 177.71 3a12 h TYR 11 N 0.00 0.00 -0.01 4.55 3.20 -1.96 -2.96 116.97 119.79 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 0.40 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.67 3a12 h TYR 11 CO 0.00 0.03 -0.01 0.66 -1.64 0.00 0.00 178.16 177.20 3a12 n TYR 12 N -4.26 0.00 -3.40 -3.82 4.01 -0.98 -4.72 117.16 103.98 3a12 n TYR 12 Ca -0.03 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.33 3a12 n TYR 12 Cb 0.12 -0.01 -0.07 0.00 -0.31 0.00 0.00 39.34 39.07 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 -2.03 5.21 -0.38 -0.72 1.01 -1.12 0.09 120.40 122.46 3a12 s VAL 13 Ca 0.37 0.70 0.03 0.00 0.00 0.00 0.00 61.98 63.08 3a12 s VAL 13 Cb 0.21 -3.72 0.16 0.00 0.00 0.00 0.00 36.38 33.03 3a12 s VAL 13 CO 0.35 0.27 0.38 -0.62 0.00 0.00 0.00 175.10 175.48 3a12 s ASP 14 N 0.95 1.22 0.00 3.32 -1.08 0.91 -4.90 116.67 117.09 3a12 s ASP 14 Ca 0.19 -1.79 0.21 0.00 -0.52 0.00 0.00 52.55 50.64 3a12 s ASP 14 Cb -0.15 0.46 0.93 0.00 -1.46 0.00 0.00 42.92 42.70 3a12 s ASP 14 CO 0.08 -0.24 1.66 0.29 0.52 0.00 0.00 175.17 177.47 3a12 n LYS 15 N 4.02 0.08 0.00 4.34 5.02 -1.26 -2.44 118.16 127.92 3a12 n LYS 15 Ca 0.13 0.13 0.13 0.00 -2.02 0.00 0.00 58.31 56.68 3a12 n LYS 15 Cb 0.45 -1.50 0.34 0.00 -0.02 0.00 0.00 35.03 34.30 3a12 n LYS 15 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3a12 n GLY 16 N 0.59 -0.91 3.72 0.72 0.00 -1.26 -4.92 105.19 103.13 3a12 n GLY 16 Ca 0.06 -0.37 -0.41 0.00 0.00 0.00 0.00 46.02 45.30 3a12 n GLY 16 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3a12 s TYR 17 N -2.71 3.68 -0.18 1.61 5.04 -1.02 -5.03 117.35 118.72 3a12 s TYR 17 Ca 0.19 1.66 -0.04 0.00 -2.44 0.00 0.00 57.07 56.44 3a12 s TYR 17 Cb 0.19 -3.17 -0.02 0.00 0.35 0.00 0.00 41.96 39.30 3a12 s TYR 17 CO 0.59 -0.23 -0.03 -2.00 -1.34 0.00 0.00 175.55 172.54 3a12 s GLU 18 N 0.32 3.58 0.43 4.97 2.56 -1.26 -4.93 118.70 124.37 3a12 s GLU 18 Ca 0.50 -0.55 -0.21 0.00 0.00 0.00 0.00 54.97 54.71 3a12 s GLU 18 Cb -0.25 -2.98 -0.11 0.00 2.00 0.00 0.00 34.13 32.80 3a12 s GLU 18 CO 0.30 0.08 0.96 -1.25 -0.56 0.00 0.00 175.26 174.80 3a12 s PRO 19 N 0.79 4.19 -0.23 4.30 0.04 -1.26 -5.03 135.00 137.81 3a12 s PRO 19 Ca -0.01 1.18 -0.20 0.00 0.04 0.00 0.00 61.00 62.01 3a12 s PRO 19 Cb -0.14 -2.22 -0.02 0.00 0.04 0.00 0.00 34.50 32.15 3a12 s PRO 19 CO 0.02 -0.07 0.59 0.45 0.04 0.00 0.00 177.00 178.03 3a12 s SER 20 N -2.10 6.58 0.63 6.66 0.15 -1.26 -4.96 113.70 119.40 3a12 s SER 20 Ca 0.62 0.70 0.38 0.00 0.70 0.00 0.00 55.95 58.35 3a12 s SER 20 Cb -0.11 -2.32 2.14 0.00 -1.71 0.00 0.00 66.02 64.02 3a12 s SER 20 CO 0.15 -0.31 2.32 0.11 1.20 0.00 0.00 173.24 176.71 3a12 h LYS 21 N 7.75 0.00 0.00 5.44 1.57 -1.96 -1.78 116.57 127.60 3a12 h LYS 21 Ca -0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 3a12 h LYS 21 Cb 1.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.45 3a12 h LYS 21 CO 0.76 0.00 -1.88 1.63 -0.57 0.00 0.00 179.45 179.39 3a12 n LYS 22 N -3.43 0.59 -0.00 3.15 4.76 -1.26 -4.53 118.16 117.44 3a12 n LYS 22 Ca -0.03 -0.18 0.02 0.00 -2.87 0.00 0.00 58.31 55.26 3a12 n LYS 22 Cb 0.08 -1.52 -0.03 0.00 -1.84 0.00 0.00 35.03 31.73 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 -2.18 3.68 -4.74 1.97 1.74 -1.05 -4.64 116.66 111.44 3a12 n ARG 23 Ca -0.03 -0.01 -0.33 0.00 -0.77 0.00 0.00 57.85 56.71 3a12 n ARG 23 Cb 0.54 -0.84 -0.14 0.00 -1.02 0.00 0.00 32.46 31.01 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 -1.78 4.15 0.17 0.55 1.01 -0.69 -1.14 116.67 118.94 3a12 s ASP 24 Ca 0.00 -0.26 -0.29 0.00 0.71 0.00 0.00 52.55 52.72 3a12 s ASP 24 Cb 0.03 -1.45 -0.07 0.00 1.01 0.00 0.00 42.92 42.43 3a12 s ASP 24 CO 0.17 0.21 0.92 -0.63 0.21 0.00 0.00 175.17 176.05 3a12 s ILE 25 N 0.06 4.33 -0.14 0.77 1.09 0.93 -4.14 121.20 124.10 3a12 s ILE 25 Ca -0.04 2.01 0.02 0.00 -1.10 0.00 0.00 60.65 61.54 3a12 s ILE 25 Cb -0.14 -4.29 0.01 0.00 -1.06 0.00 0.00 42.46 36.98 3a12 s ILE 25 CO 0.04 0.42 -0.21 -0.63 -0.10 0.00 0.00 174.94 174.46 3a12 s ILE 26 N -0.62 1.97 -0.24 2.92 1.01 -0.95 0.12 121.20 125.42 3a12 s ILE 26 Ca 0.43 -0.92 -0.09 0.00 0.00 0.00 0.00 60.65 60.06 3a12 s ILE 26 Cb -0.24 -1.75 -0.04 0.00 0.01 0.00 0.00 42.46 40.43 3a12 s ILE 26 CO 0.30 0.53 0.12 0.00 0.00 0.00 0.00 174.94 175.89 3a12 s ALA 27 N 0.90 3.45 -0.30 9.38 0.00 0.15 0.05 121.76 135.39 3a12 s ALA 27 Ca -0.06 -0.95 -0.16 0.00 0.00 0.00 0.00 51.96 50.79 3a12 s ALA 27 Cb -0.15 -2.21 -0.02 0.00 0.00 0.00 0.00 23.12 20.73 3a12 s ALA 27 CO -0.03 -0.24 0.42 0.08 0.00 0.00 0.00 175.76 175.99 3a12 s VAL 28 N 1.16 5.12 -0.07 0.00 1.01 -0.43 -1.27 120.40 125.92 3a12 s VAL 28 Ca 0.06 0.45 0.02 0.00 0.00 0.00 0.00 61.98 62.51 3a12 s VAL 28 Cb -0.14 -3.81 -0.03 0.00 0.00 0.00 0.00 36.38 32.41 3a12 s VAL 28 CO 0.05 0.01 -0.11 -0.36 0.00 0.00 0.00 175.10 174.69 3a12 s PHE 29 N 2.17 2.83 -0.48 5.22 0.08 0.34 0.23 117.98 128.38 3a12 s PHE 29 Ca 0.16 -0.11 -0.20 0.00 0.12 0.00 0.00 56.93 56.91 3a12 s PHE 29 Cb -0.16 -1.69 0.04 0.00 -0.57 0.00 0.00 43.02 40.65 3a12 s PHE 29 CO 0.11 0.23 0.62 0.50 -0.10 0.00 0.00 175.22 176.57 3a12 s ARG 30 N -0.67 3.17 -0.19 0.44 3.52 0.14 0.10 118.95 125.46 3a12 s ARG 30 Ca 0.10 -0.69 -0.06 0.00 -0.13 0.00 0.00 55.73 54.95 3a12 s ARG 30 Cb -0.11 -4.03 -0.03 0.00 -1.56 0.00 0.00 34.95 29.21 3a12 s ARG 30 CO 0.01 -1.12 0.04 0.08 -0.81 0.00 0.00 175.30 173.50 3a12 s VAL 31 N 2.68 4.41 -0.36 7.11 1.01 0.11 -1.61 120.40 133.74 3a12 s VAL 31 Ca 0.18 -0.16 -0.04 0.00 0.00 0.00 0.00 61.98 61.95 3a12 s VAL 31 Cb -0.17 -2.99 0.07 0.00 0.00 0.00 0.00 36.38 33.29 3a12 s VAL 31 CO 0.15 0.44 0.13 -0.89 0.00 0.00 0.00 175.10 174.92 3a12 s THR 32 N 0.68 3.44 0.67 3.92 2.01 -0.03 -0.36 115.64 125.98 3a12 s THR 32 Ca 0.02 -1.55 -0.16 0.00 0.31 0.00 0.00 61.69 60.31 3a12 s THR 32 Cb -0.14 -3.11 0.01 0.00 0.01 0.00 0.00 72.50 69.27 3a12 s THR 32 CO 0.02 -0.37 1.20 -2.84 -0.69 0.00 0.00 174.62 171.94 3a12 s PRO 33 N 1.27 2.50 0.75 4.92 0.02 -1.26 0.36 135.00 143.57 3a12 s PRO 33 Ca 0.01 1.75 -0.13 0.00 0.02 0.00 0.00 61.00 62.65 3a12 s PRO 33 Cb -0.21 -1.88 0.05 0.00 0.02 0.00 0.00 34.50 32.48 3a12 s PRO 33 CO -0.01 -1.56 1.14 0.00 -0.33 0.00 0.00 177.00 176.25 3a12 s ALA 34 N -1.87 2.13 0.10 -1.55 0.00 0.38 -4.13 121.76 116.82 3a12 s ALA 34 Ca 0.75 0.61 -0.32 0.00 0.00 0.00 0.00 51.96 52.99 3a12 s ALA 34 Cb -0.29 -3.38 -0.12 0.00 0.00 0.00 0.00 23.12 19.33 3a12 s ALA 34 CO 0.41 -1.85 1.78 -1.91 0.00 0.00 0.00 175.76 174.19 3a12 n GLU 35 N -3.07 2.55 -0.04 0.00 4.07 -1.26 -1.68 120.64 121.22 3a12 n GLU 35 Ca 0.11 0.93 0.00 0.00 -0.06 0.00 0.00 57.16 58.14 3a12 n GLU 35 Cb 0.52 -2.78 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 4.07 0.47 3.65 8.31 0.00 -1.26 -5.07 105.19 115.36 3a12 n GLY 36 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.18 3.03 0.60 1.61 2.02 -0.67 -5.11 117.35 116.64 3a12 s TYR 37 Ca 0.00 0.07 -0.13 0.00 -0.37 0.00 0.00 57.07 56.64 3a12 s TYR 37 Cb 0.00 -1.68 -0.04 0.00 -0.40 0.00 0.00 41.96 39.84 3a12 s TYR 37 CO 0.00 0.43 1.02 0.95 -1.57 0.00 0.00 175.55 176.38 3a12 s THR 38 N -1.01 4.49 0.30 -0.71 -4.23 -1.26 -4.70 115.64 108.52 3a12 s THR 38 Ca 0.17 0.94 0.01 0.00 -1.18 0.00 0.00 61.69 61.63 3a12 s THR 38 Cb -0.11 -3.72 0.28 0.00 1.34 0.00 0.00 72.50 70.29 3a12 s THR 38 CO 0.08 -0.93 1.89 -0.29 -0.54 0.00 0.00 174.62 174.82 3a12 h ILE 39 N 0.02 1.02 -0.83 2.99 6.09 -1.99 -0.64 117.51 124.18 3a12 h ILE 39 Ca -0.45 -0.35 -0.01 0.00 -1.37 0.00 0.00 64.86 62.68 3a12 h ILE 39 Cb 1.19 -0.09 -0.04 0.00 0.47 0.00 0.00 36.82 38.35 3a12 h ILE 39 CO 0.61 0.19 0.48 -0.33 -3.07 0.00 0.00 178.15 176.03 3a12 h GLU 40 N 1.02 1.14 -0.48 2.19 3.07 -1.98 0.30 114.58 119.83 3a12 h GLU 40 Ca 0.42 -0.11 -0.09 0.00 -0.50 0.00 0.00 59.36 59.08 3a12 h GLU 40 Cb 0.29 -0.23 -0.02 0.00 -0.84 0.00 0.00 28.75 27.96 3a12 h GLU 40 CO -0.18 0.81 -0.04 1.96 -1.40 0.00 0.00 179.01 180.16 3a12 h GLN 41 N 1.14 0.88 0.36 2.33 4.20 -1.63 0.17 115.11 122.56 3a12 h GLN 41 Ca 0.30 -0.30 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 3a12 h GLN 41 Cb -0.02 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.70 3a12 h GLN 41 CO -0.05 0.94 -0.17 0.00 -0.67 0.00 0.00 178.83 178.87 3a12 h ALA 42 N 0.91 -0.49 -0.50 3.87 0.00 -0.91 -2.40 119.26 119.74 3a12 h ALA 42 Ca 0.13 -0.17 0.09 0.00 0.00 0.00 0.00 54.91 54.97 3a12 h ALA 42 Cb 0.57 0.19 -0.08 0.00 0.00 0.00 0.00 17.79 18.47 3a12 h ALA 42 CO 0.03 -0.67 0.04 0.00 0.00 0.00 0.00 179.25 178.66 3a12 h ALA 43 N -0.16 0.51 -0.62 0.00 0.00 -0.40 -1.40 119.26 117.20 3a12 h ALA 43 Ca -0.05 0.13 0.10 0.00 0.00 0.00 0.00 54.91 55.10 3a12 h ALA 43 Cb 0.49 0.21 -0.08 0.00 0.00 0.00 0.00 17.79 18.41 3a12 h ALA 43 CO 0.08 -0.36 0.20 0.78 0.00 0.00 0.00 179.25 179.95 3a12 h GLY 44 N 0.16 0.84 0.77 0.00 0.00 -0.67 -1.20 103.07 102.97 3a12 h GLY 44 Ca 0.25 -0.09 0.03 0.00 0.00 0.00 0.00 47.33 47.52 3a12 h GLY 44 CO -0.38 -0.06 0.06 0.00 0.00 0.00 0.00 176.54 176.16 3a12 h ALA 45 N 1.45 0.25 -0.03 3.60 0.00 -0.76 -0.80 119.26 122.98 3a12 h ALA 45 Ca 0.32 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.26 3a12 h ALA 45 Cb 0.43 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 3a12 h ALA 45 CO -0.35 -0.36 0.02 0.28 0.00 0.00 0.00 179.25 178.84 3a12 h VAL 46 N 0.16 1.03 -0.77 0.00 2.07 -0.68 -1.53 116.25 116.53 3a12 h VAL 46 Ca 0.11 -0.08 -0.05 0.00 0.82 0.00 0.00 66.70 67.50 3a12 h VAL 46 Cb 0.09 1.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 3a12 h VAL 46 CO -0.13 0.03 0.31 0.00 0.02 0.00 0.00 177.57 177.79 3a12 h ALA 47 N 0.98 1.00 -0.13 1.67 0.00 -1.18 -2.00 119.26 119.61 3a12 h ALA 47 Ca 0.01 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 3a12 h ALA 47 Cb 0.03 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 3a12 h ALA 47 CO -0.00 0.63 0.02 0.00 0.00 0.00 0.00 179.25 179.89 3a12 h ALA 48 N 1.16 0.17 0.00 0.00 0.00 -0.99 -3.12 119.26 116.48 3a12 h ALA 48 Ca 0.26 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3a12 h ALA 48 Cb 0.22 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3a12 h ALA 48 CO -0.02 -0.17 0.00 0.93 0.00 0.00 0.00 179.25 179.99 3a12 h GLU 49 N -0.02 0.00 -0.50 0.00 4.39 -1.23 -0.86 114.58 116.35 3a12 h GLU 49 Ca 0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.74 3a12 h GLU 49 Cb 0.31 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 3a12 h GLU 49 CO 0.00 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 176.72 3a12 n SER 50 N -2.70 2.69 0.00 1.42 3.41 -0.76 -4.83 113.62 112.85 3a12 n SER 50 Ca 0.04 -2.05 0.00 0.00 -0.26 0.00 0.00 58.87 56.60 3a12 n SER 50 Cb 0.45 -0.35 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 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 0.86 0.00 -0.09 4.04 3.41 -0.98 -4.41 113.62 116.44 3a12 n SER 51 Ca 0.16 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.80 3a12 n SER 51 Cb 0.44 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.38 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 -3.54 6.66 -2.24 -1.12 -5.04 114.28 109.00 3a12 n THR 52 Ca 0.00 -0.42 -0.24 0.00 -2.27 0.00 0.00 64.05 61.12 3a12 n THR 52 Cb 0.00 1.05 0.02 0.00 -2.10 0.00 0.00 70.33 69.30 3a12 n THR 52 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3a12 s GLY 53 N -1.10 2.11 0.12 3.38 0.00 -0.37 -5.06 107.32 106.40 3a12 s GLY 53 Ca 0.04 -1.62 0.00 0.00 0.00 0.00 0.00 44.72 43.14 3a12 s GLY 53 CO 0.16 -1.84 0.14 -0.37 0.00 0.00 0.00 173.10 171.20 3a12 n THR 54 N -1.96 0.00 0.44 0.90 5.66 -1.26 -4.53 114.28 113.52 3a12 n THR 54 Ca 0.05 -0.66 0.12 0.00 -3.05 0.00 0.00 64.05 60.52 3a12 n THR 54 Cb 0.63 0.38 0.28 0.00 -1.55 0.00 0.00 70.33 70.07 3a12 n THR 54 CO 0.00 0.00 0.00 4.11 -3.05 0.00 0.00 175.07 176.13 3a12 h TRP 55 N 1.34 0.00 -2.80 1.09 5.08 -2.00 -3.45 115.95 115.21 3a12 h TRP 55 Ca -0.09 0.00 -0.47 0.00 1.08 0.00 0.00 58.89 59.42 3a12 h TRP 55 Cb 0.40 0.00 -0.14 0.00 -3.00 0.00 0.00 29.16 26.42 3a12 h TRP 55 CO 0.00 0.00 -0.67 -0.08 -1.28 0.00 0.00 178.44 176.41 3a12 s THR 56 N -3.16 1.51 0.26 0.12 -1.32 -1.26 -4.88 115.64 106.91 3a12 s THR 56 Ca 0.08 -2.11 -0.29 0.00 -1.21 0.00 0.00 61.69 58.16 3a12 s THR 56 Cb 0.09 -2.40 -0.09 0.00 -1.51 0.00 0.00 72.50 68.59 3a12 s THR 56 CO 0.64 -0.32 1.26 0.42 -2.21 0.00 0.00 174.62 174.40 3a12 s THR 57 N -3.10 3.12 0.32 5.08 -4.23 -1.26 -5.03 115.64 110.54 3a12 s THR 57 Ca 0.29 1.03 0.03 0.00 -1.18 0.00 0.00 61.69 61.85 3a12 s THR 57 Cb 0.04 -3.66 0.03 0.00 1.34 0.00 0.00 72.50 70.25 3a12 s THR 57 CO 0.11 0.21 0.22 0.18 -0.54 0.00 0.00 174.62 174.79 3a12 n LEU 58 N 1.70 0.00 -4.43 4.79 4.32 -1.26 -5.13 117.00 116.99 3a12 n LEU 58 Ca 0.02 -1.69 -0.33 0.00 -0.02 0.00 0.00 56.01 54.00 3a12 n LEU 58 Cb 0.43 -0.01 -0.14 0.00 -1.62 0.00 0.00 43.42 42.09 3a12 n LEU 58 CO 0.57 -0.43 -0.46 -0.47 -1.22 0.00 0.00 177.39 175.38 3a12 s TYR 59 N -1.63 2.70 -0.82 -1.77 5.04 -1.26 -5.05 117.35 114.57 3a12 s TYR 59 Ca 0.17 -0.32 -0.25 0.00 -2.44 0.00 0.00 57.07 54.22 3a12 s TYR 59 Cb -0.01 -1.68 -0.06 0.00 0.35 0.00 0.00 41.96 40.56 3a12 s TYR 59 CO 0.11 0.06 2.06 -1.25 -1.34 0.00 0.00 175.55 175.18 3a12 s PRO 60 N -0.42 2.33 0.00 4.97 0.04 -1.26 -4.63 135.00 136.02 3a12 s PRO 60 Ca 0.05 0.09 0.01 0.00 0.04 0.00 0.00 61.00 61.19 3a12 s PRO 60 Cb -0.12 -4.88 0.01 0.00 0.04 0.00 0.00 34.50 29.54 3a12 s PRO 60 CO 0.02 -3.52 0.64 -2.67 0.04 0.00 0.00 177.00 171.51 3a12 n TRP 61 N 14.94 0.01 -4.35 0.56 4.27 -1.26 -5.07 117.44 126.54 3a12 n TRP 61 Ca 0.39 -0.12 -0.18 0.00 -3.89 0.00 0.00 57.50 53.70 3a12 n TRP 61 Cb 0.47 -0.01 -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 -0.28 1.61 -0.26 -2.67 -0.85 -1.26 -5.11 117.35 108.53 3a12 s TYR 62 Ca 0.01 -1.23 -0.29 0.00 -0.52 0.00 0.00 57.07 55.04 3a12 s TYR 62 Cb 0.01 -0.94 0.01 0.00 0.38 0.00 0.00 41.96 41.42 3a12 s TYR 62 CO 0.01 -0.37 1.14 -2.00 -1.52 0.00 0.00 175.55 172.81 3a12 s GLU 63 N -3.93 4.14 0.21 -3.49 2.12 -1.26 -4.92 118.70 111.57 3a12 s GLU 63 Ca 0.36 1.32 -0.10 0.00 0.36 0.00 0.00 54.97 56.91 3a12 s GLU 63 Cb 0.07 -3.74 0.18 0.00 0.26 0.00 0.00 34.13 30.90 3a12 s GLU 63 CO 0.15 -0.81 1.86 1.96 -0.54 0.00 0.00 175.26 177.88 3a12 h GLN 64 N 8.11 0.90 -0.44 4.30 1.08 -1.99 -2.58 115.11 124.48 3a12 h GLN 64 Ca -0.22 -0.05 0.02 0.00 -1.45 0.00 0.00 58.65 56.94 3a12 h GLN 64 Cb 1.08 -0.20 -0.03 0.00 -0.05 0.00 0.00 27.48 28.27 3a12 h GLN 64 CO 1.00 0.59 0.26 0.93 -0.95 0.00 0.00 178.83 180.67 3a12 h GLU 65 N 0.93 0.52 -0.18 1.46 4.39 -1.99 -0.22 114.58 119.49 3a12 h GLU 65 Ca 0.28 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.94 3a12 h GLU 65 Cb -0.03 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.49 3a12 h GLU 65 CO -0.09 0.34 0.09 -0.09 -1.16 0.00 0.00 179.01 178.10 3a12 h ARG 66 N 0.53 0.25 -0.44 2.33 2.43 -1.90 -0.41 114.38 117.17 3a12 h ARG 66 Ca 0.17 -0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.35 3a12 h ARG 66 Cb -0.00 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.46 3a12 h ARG 66 CO -0.07 0.27 0.20 2.35 -1.51 0.00 0.00 179.97 181.20 3a12 h TRP 67 N 0.17 0.36 -0.66 2.20 7.01 -1.18 -1.74 115.95 122.11 3a12 h TRP 67 Ca 0.06 0.02 -0.05 0.00 2.11 0.00 0.00 58.89 61.03 3a12 h TRP 67 Cb 0.09 -0.10 -0.03 0.00 -2.10 0.00 0.00 29.16 27.03 3a12 h TRP 67 CO -0.03 0.17 0.20 0.00 -2.79 0.00 0.00 178.44 175.98 3a12 h ALA 68 N 1.25 1.10 -0.02 2.65 0.00 -0.83 -2.22 119.26 121.19 3a12 h ALA 68 Ca 0.20 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 3a12 h ALA 68 Cb 0.14 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3a12 h ALA 68 CO -0.16 0.61 -0.25 0.22 0.00 0.00 0.00 179.25 179.67 3a12 h ASP 69 N 0.98 0.04 0.05 0.00 3.58 -0.35 -2.94 116.42 117.78 3a12 h ASP 69 Ca 0.22 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.66 3a12 h ASP 69 Cb 0.29 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.33 3a12 h ASP 69 CO -0.01 0.29 -0.41 0.18 -2.88 0.00 0.00 179.24 176.42 3a12 n LEU 70 N -4.23 1.76 -4.77 2.28 4.77 -0.72 -4.85 117.00 111.24 3a12 n LEU 70 Ca -0.02 -0.62 -0.38 0.00 -0.03 0.00 0.00 56.01 54.96 3a12 n LEU 70 Cb 0.31 -0.03 -0.04 0.00 -2.33 0.00 0.00 43.42 41.32 3a12 n LEU 70 CO 0.38 0.33 0.74 -0.44 -1.33 0.00 0.00 177.39 177.06 3a12 s SER 71 N -2.47 7.05 0.69 -1.43 0.01 -0.88 -4.72 113.70 111.96 3a12 s SER 71 Ca 0.20 2.09 -0.09 0.00 1.31 0.00 0.00 55.95 59.46 3a12 s SER 71 Cb 0.18 -2.60 0.03 0.00 0.21 0.00 0.00 66.02 63.84 3a12 s SER 71 CO 0.55 -0.28 1.05 0.00 0.41 0.00 0.00 173.24 174.97 3a12 s ALA 72 N -1.45 2.99 -0.06 1.44 0.00 -1.26 -4.76 121.76 118.66 3a12 s ALA 72 Ca 0.51 -0.57 -0.01 0.00 0.00 0.00 0.00 51.96 51.89 3a12 s ALA 72 Cb -0.25 -2.85 0.03 0.00 0.00 0.00 0.00 23.12 20.05 3a12 s ALA 72 CO 0.32 -1.17 0.01 0.15 0.00 0.00 0.00 175.76 175.08 3a12 s LYS 73 N -5.29 0.46 -0.26 0.00 1.02 -0.52 -4.74 119.74 110.41 3a12 s LYS 73 Ca 0.58 0.15 -0.29 0.00 0.02 0.00 0.00 55.97 56.43 3a12 s LYS 73 Cb -0.11 -0.83 0.00 0.00 -0.52 0.00 0.00 37.83 36.38 3a12 s LYS 73 CO 0.49 -0.28 1.21 0.00 -0.92 0.00 0.00 175.35 175.84 3a12 s ALA 74 N 1.86 3.52 0.00 5.17 0.00 0.11 -1.28 121.76 131.14 3a12 s ALA 74 Ca 0.03 0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.16 3a12 s ALA 74 Cb -0.12 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 19.32 3a12 s ALA 74 CO -0.04 -1.45 0.00 2.48 0.00 0.00 0.00 175.76 176.75 3a12 n TYR 75 N 7.00 0.00 -4.23 0.00 0.18 -0.66 -0.06 117.16 119.39 3a12 n TYR 75 Ca 0.14 0.00 -0.21 0.00 1.88 0.00 0.00 57.90 59.70 3a12 n TYR 75 Cb 0.46 0.00 -0.16 0.00 -0.38 0.00 0.00 39.34 39.26 3a12 n TYR 75 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 3a12 s ASP 76 N -1.16 1.15 -0.09 9.48 2.15 -1.19 -4.47 116.67 122.55 3a12 s ASP 76 Ca 0.00 -0.16 0.02 0.00 0.43 0.00 0.00 52.55 52.84 3a12 s ASP 76 Cb 0.00 -0.53 0.01 0.00 -0.30 0.00 0.00 42.92 42.10 3a12 s ASP 76 CO 0.00 -0.04 -0.15 -0.36 -0.17 0.00 0.00 175.17 174.45 3a12 s PHE 77 N 0.91 1.80 -0.12 -5.34 0.08 -1.26 -1.35 117.98 112.71 3a12 s PHE 77 Ca -0.11 -0.76 -0.01 0.00 0.12 0.00 0.00 56.93 56.17 3a12 s PHE 77 Cb -0.15 -1.30 0.03 0.00 -0.57 0.00 0.00 43.02 41.04 3a12 s PHE 77 CO 0.01 -0.38 -0.03 -1.58 -0.10 0.00 0.00 175.22 173.13 3a12 s HIS 78 N 0.79 1.17 -0.18 0.36 5.65 -0.29 -5.00 115.29 117.78 3a12 s HIS 78 Ca -0.11 -0.60 -0.29 0.00 0.25 0.00 0.00 55.06 54.30 3a12 s HIS 78 Cb -0.16 -1.06 -0.02 0.00 -1.18 0.00 0.00 32.58 30.16 3a12 s HIS 78 CO 0.02 -0.47 1.33 0.34 -0.65 0.00 0.00 174.74 175.31 3a12 s ASP 79 N 1.81 6.84 0.08 9.88 -1.08 -1.26 -1.03 116.67 131.91 3a12 s ASP 79 Ca 0.04 1.67 0.28 0.00 -0.52 0.00 0.00 52.55 54.01 3a12 s ASP 79 Cb -0.13 -2.54 1.00 0.00 -1.46 0.00 0.00 42.92 39.79 3a12 s ASP 79 CO -0.07 -0.86 1.82 0.23 0.52 0.00 0.00 175.17 176.81 3a12 n MET 80 N 6.84 0.11 -1.96 4.34 2.81 -0.37 -4.93 117.12 123.96 3a12 n MET 80 Ca 0.15 0.08 -0.07 0.00 -1.81 0.00 0.00 57.70 56.05 3a12 n MET 80 Cb 0.45 -1.62 -0.01 0.00 -0.71 0.00 0.00 33.22 31.33 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 1.42 0.24 0.14 3.03 0.00 -1.25 -4.89 105.19 103.88 3a12 n GLY 81 Ca 0.06 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 0.75 0.03 0.00 1.61 5.68 -1.26 -4.96 116.55 118.39 3a12 n ASP 82 Ca -0.08 -1.29 0.00 0.00 -0.50 0.00 0.00 54.79 52.92 3a12 n ASP 82 Cb 0.50 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.42 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 -0.01 1.42 3.50 6.12 0.00 -1.26 -5.08 105.19 109.88 3a12 n GLY 83 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.66 3.80 -0.01 1.61 1.04 -1.26 -4.16 113.70 113.05 3a12 s SER 84 Ca 0.00 -0.82 0.02 0.00 0.48 0.00 0.00 55.95 55.63 3a12 s SER 84 Cb 0.00 -0.44 -0.00 0.00 0.10 0.00 0.00 66.02 65.67 3a12 s SER 84 CO 0.00 0.08 -0.08 0.26 0.98 0.00 0.00 173.24 174.48 3a12 s TRP 85 N -1.99 0.77 -0.19 5.02 0.52 0.52 -1.24 118.94 122.35 3a12 s TRP 85 Ca 0.26 -0.16 -0.29 0.00 0.02 0.00 0.00 56.10 55.93 3a12 s TRP 85 Cb -0.07 -0.52 0.00 0.00 -1.15 0.00 0.00 33.47 31.73 3a12 s TRP 85 CO 0.14 -0.03 1.08 0.42 0.02 0.00 0.00 176.95 178.58 3a12 s ILE 86 N -0.08 4.60 -0.09 2.03 -1.09 -0.20 0.05 121.20 126.41 3a12 s ILE 86 Ca 0.02 1.92 0.04 0.00 -2.23 0.00 0.00 60.65 60.40 3a12 s ILE 86 Cb -0.05 -4.24 0.00 0.00 -1.58 0.00 0.00 42.46 36.60 3a12 s ILE 86 CO -0.00 -0.14 -0.23 -0.69 -1.23 0.00 0.00 174.94 172.65 3a12 s VAL 87 N 3.03 1.96 -0.18 2.92 1.01 0.11 -1.14 120.40 128.12 3a12 s VAL 87 Ca 0.47 -0.97 -0.08 0.00 0.00 0.00 0.00 61.98 61.40 3a12 s VAL 87 Cb -0.17 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.47 3a12 s VAL 87 CO 0.10 0.54 0.09 -0.13 0.00 0.00 0.00 175.10 175.70 3a12 s ARG 88 N 0.33 3.99 -0.05 2.72 0.52 -0.45 -0.50 118.95 125.51 3a12 s ARG 88 Ca -0.17 -0.29 0.04 0.00 -0.52 0.00 0.00 55.73 54.79 3a12 s ARG 88 Cb -0.17 -3.27 -0.00 0.00 0.52 0.00 0.00 34.95 32.02 3a12 s ARG 88 CO 0.08 0.33 -0.18 0.42 0.02 0.00 0.00 175.30 175.97 3a12 s ILE 89 N 0.24 1.49 -0.12 1.52 1.01 -0.40 -1.65 121.20 123.29 3a12 s ILE 89 Ca 0.06 -0.75 -0.01 0.00 0.00 0.00 0.00 60.65 59.94 3a12 s ILE 89 Cb -0.12 -1.28 -0.02 0.00 0.01 0.00 0.00 42.46 41.05 3a12 s ILE 89 CO -0.00 0.43 -0.07 0.00 0.00 0.00 0.00 174.94 175.29 3a12 s ALA 90 N 0.03 2.89 -0.06 9.38 0.00 -0.41 -0.68 121.76 132.92 3a12 s ALA 90 Ca -0.04 -0.86 0.05 0.00 0.00 0.00 0.00 51.96 51.11 3a12 s ALA 90 Cb -0.12 -1.37 -0.00 0.00 0.00 0.00 0.00 23.12 21.63 3a12 s ALA 90 CO 0.02 0.33 -0.21 0.71 0.00 0.00 0.00 175.76 176.61 3a12 s TYR 91 N 0.01 2.16 0.25 0.00 2.02 0.12 -1.44 117.35 120.47 3a12 s TYR 91 Ca -0.01 -0.70 -0.30 0.00 -0.37 0.00 0.00 57.07 55.70 3a12 s TYR 91 Cb -0.14 -1.44 -0.09 0.00 -0.40 0.00 0.00 41.96 39.89 3a12 s TYR 91 CO 0.03 -0.24 1.15 -1.25 -1.57 0.00 0.00 175.55 173.67 3a12 s PRO 92 N 0.05 4.57 0.47 -1.71 0.04 -1.26 -0.05 135.00 137.11 3a12 s PRO 92 Ca -0.07 1.86 0.16 0.00 0.04 0.00 0.00 61.00 62.99 3a12 s PRO 92 Cb -0.14 -3.20 1.15 0.00 0.04 0.00 0.00 34.50 32.35 3a12 s PRO 92 CO 0.04 0.08 2.03 0.27 0.04 0.00 0.00 177.00 179.46 3a12 h PHE 93 N 4.29 0.24 -0.10 0.56 -5.15 -1.49 -0.82 116.94 114.47 3a12 h PHE 93 Ca -0.46 0.01 0.00 0.00 -0.20 0.00 0.00 57.97 57.32 3a12 h PHE 93 Cb 1.21 -0.08 0.00 0.00 0.22 0.00 0.00 35.95 37.30 3a12 h PHE 93 CO 0.60 0.12 0.00 -2.39 -2.00 0.00 0.00 178.31 174.64 3a12 n HIS 94 N -4.46 0.13 0.30 6.09 1.44 -1.26 -2.44 115.22 115.02 3a12 n HIS 94 Ca 0.06 -0.07 0.13 0.00 -2.01 0.00 0.00 57.72 55.84 3a12 n HIS 94 Cb 0.32 0.00 0.35 0.00 0.12 0.00 0.00 29.99 30.78 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 3.21 1.00 -3.20 1.59 0.00 -1.49 -3.46 119.26 116.92 3a12 h ALA 95 Ca 0.00 0.00 -0.63 0.00 0.00 0.00 0.00 54.91 54.28 3a12 h ALA 95 Cb 0.14 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 17.80 3a12 h ALA 95 CO 0.00 0.00 -0.68 -0.06 0.00 0.00 0.00 179.25 178.51 3a12 s PHE 96 N -3.31 2.85 0.23 0.00 0.08 -1.02 -5.10 117.98 111.70 3a12 s PHE 96 Ca 0.06 -0.12 -0.30 0.00 0.12 0.00 0.00 56.93 56.69 3a12 s PHE 96 Cb 0.07 -1.43 -0.09 0.00 -0.57 0.00 0.00 43.02 41.00 3a12 s PHE 96 CO 0.61 0.48 1.34 -2.00 -0.10 0.00 0.00 175.22 175.56 3a12 s GLU 97 N -2.56 4.35 0.30 0.44 2.12 -1.26 -4.96 118.70 117.13 3a12 s GLU 97 Ca 0.25 2.14 -0.30 0.00 0.36 0.00 0.00 54.97 57.42 3a12 s GLU 97 Cb -0.10 -3.16 -0.12 0.00 0.26 0.00 0.00 34.13 31.01 3a12 s GLU 97 CO 0.17 -0.29 1.48 0.39 -0.54 0.00 0.00 175.26 176.47 3a12 n GLU 98 N 2.37 2.42 -3.73 4.30 1.02 -1.26 -3.15 120.64 122.61 3a12 n GLU 98 Ca 0.06 0.86 -0.26 0.00 -0.02 0.00 0.00 57.16 57.80 3a12 n GLU 98 Cb 0.42 -2.56 0.05 0.00 -0.02 0.00 0.00 31.44 29.33 3a12 n GLU 98 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3a12 n ALA 99 N 1.51 -1.45 -3.62 0.62 0.00 -1.26 -4.93 120.51 111.38 3a12 n ALA 99 Ca 0.08 0.21 -0.27 0.00 0.00 0.00 0.00 53.44 53.45 3a12 n ALA 99 Cb 0.36 -4.39 -0.11 0.00 0.00 0.00 0.00 19.45 15.30 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 -3.54 2.94 0.13 0.00 3.84 -1.19 -4.98 114.94 112.15 3a12 s ASN 100 Ca 0.50 -3.42 -0.19 0.00 0.21 0.00 0.00 52.86 49.96 3a12 s ASN 100 Cb -0.24 -0.97 -0.03 0.00 -0.55 0.00 0.00 41.25 39.46 3a12 s ASN 100 CO 0.78 -0.13 1.76 0.25 -2.79 0.00 0.00 177.10 176.97 3a12 h LEU 101 N 5.53 0.15 -1.29 3.21 5.85 -1.91 -1.68 115.31 125.17 3a12 h LEU 101 Ca 0.21 0.01 0.12 0.00 0.84 0.00 0.00 57.88 59.07 3a12 h LEU 101 Cb 0.84 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.79 3a12 h LEU 101 CO 0.53 0.12 0.56 -0.65 -0.34 0.00 0.00 178.44 178.65 3a12 h PRO 102 N 0.23 0.72 -0.17 5.25 0.11 -1.93 -0.25 132.00 135.95 3a12 h PRO 102 Ca 0.10 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 66.03 3a12 h PRO 102 Cb 0.04 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 30.98 3a12 h PRO 102 CO -0.08 0.47 -0.47 0.78 -0.21 0.00 0.00 178.00 178.49 3a12 h GLY 103 N 0.74 0.49 1.13 -0.55 0.00 -1.82 -2.04 103.07 101.02 3a12 h GLY 103 Ca 0.42 -0.52 -0.17 0.00 0.00 0.00 0.00 47.33 47.05 3a12 h GLY 103 CO -0.18 0.47 -0.47 -2.00 0.00 0.00 0.00 176.54 174.35 3a12 h LEU 104 N 0.36 0.98 -1.62 3.11 6.46 -0.42 -3.03 115.31 121.16 3a12 h LEU 104 Ca 0.02 -0.51 -0.03 0.00 -0.12 0.00 0.00 57.88 57.25 3a12 h LEU 104 Cb 0.97 -0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 40.61 3a12 h LEU 104 CO 0.08 1.30 -0.03 -0.07 -0.62 0.00 0.00 178.44 179.09 3a12 h LEU 105 N 0.70 0.18 -1.51 2.25 3.38 -0.90 -2.04 115.31 117.36 3a12 h LEU 105 Ca 0.03 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 3a12 h LEU 105 Cb 1.08 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.77 3a12 h LEU 105 CO 0.11 0.25 0.00 0.00 0.09 0.00 0.00 178.44 178.89 3a12 h ALA 106 N 1.78 1.61 0.00 1.53 0.00 -1.24 0.11 119.26 123.04 3a12 h ALA 106 Ca 0.05 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 3a12 h ALA 106 Cb 0.20 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3a12 h ALA 106 CO 0.01 0.29 -0.01 0.77 0.00 0.00 0.00 179.25 180.31 3a12 h SER 107 N 0.31 0.00 0.83 0.00 0.02 -1.40 -3.28 113.55 110.03 3a12 h SER 107 Ca 0.07 -0.24 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 3a12 h SER 107 Cb 0.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.75 3a12 h SER 107 CO 0.00 0.63 -0.52 -0.38 -1.14 0.00 0.00 176.83 175.42 3a12 n ILE 108 N -4.73 0.27 -2.56 3.27 5.41 -0.84 -3.93 119.36 116.24 3a12 n ILE 108 Ca -0.03 -0.20 -0.05 0.00 1.00 0.00 0.00 62.75 63.48 3a12 n ILE 108 Cb 0.12 -0.10 0.05 0.00 -0.71 0.00 0.00 39.64 39.00 3a12 n ILE 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3a12 n ALA 109 N -1.73 3.17 -2.34 -1.39 0.00 0.38 -5.01 120.51 113.59 3a12 n ALA 109 Ca 0.04 -2.97 0.00 0.00 0.00 0.00 0.00 53.44 50.51 3a12 n ALA 109 Cb 0.41 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 19.15 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 -0.52 0.88 0.44 0.00 0.00 -1.17 -4.81 105.19 100.00 3a12 n GLY 110 Ca 0.16 0.00 0.25 0.00 0.00 0.00 0.00 46.02 46.43 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 0.13 -0.18 1.61 2.35 -1.87 -3.17 115.58 114.45 3a12 h ASN 111 Ca 0.00 0.01 0.05 0.00 -0.55 0.00 0.00 56.30 55.82 3a12 h ASN 111 Cb 0.00 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 3a12 h ASN 111 CO 0.00 0.05 0.21 0.16 -1.65 0.00 0.00 177.43 176.20 3a12 h ILE 112 N 0.12 0.44 0.00 2.81 3.07 -1.88 -0.92 117.51 121.15 3a12 h ILE 112 Ca 0.43 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.84 3a12 h ILE 112 Cb 1.48 0.83 0.00 0.00 -0.27 0.00 0.00 36.82 38.86 3a12 h ILE 112 CO -0.06 0.00 0.00 -0.26 -1.05 0.00 0.00 178.15 176.78 3a12 h PHE 113 N 0.00 0.00 -0.04 0.16 0.04 -1.91 -2.95 116.94 112.24 3a12 h PHE 113 Ca 0.09 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.86 3a12 h PHE 113 Cb 0.52 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.67 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 -0.24 0.21 3.70 -1.45 0.00 -0.35 -4.83 105.19 102.24 3a12 n GLY 114 Ca 0.01 -0.44 -0.44 0.00 0.00 0.00 0.00 46.02 45.15 3a12 n GLY 114 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3a12 n MET 115 N 0.86 2.49 -0.34 1.61 2.81 -1.12 -4.91 117.12 118.53 3a12 n MET 115 Ca 0.09 0.90 -0.00 0.00 -1.81 0.00 0.00 57.70 56.88 3a12 n MET 115 Cb 0.39 -2.69 0.16 0.00 -0.71 0.00 0.00 33.22 30.37 3a12 n MET 115 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 3a12 h LYS 116 N 5.95 1.19 -0.16 0.03 1.57 -1.94 -2.58 116.57 120.64 3a12 h LYS 116 Ca -0.44 -0.07 0.05 0.00 -1.87 0.00 0.00 60.65 58.31 3a12 h LYS 116 Cb 1.23 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 33.26 3a12 h LYS 116 CO 0.89 0.79 0.30 0.00 -0.57 0.00 0.00 179.45 180.86 3a12 h ARG 117 N 1.23 0.00 -5.91 3.15 3.08 -1.98 -3.40 114.38 110.54 3a12 h ARG 117 Ca 0.36 0.00 -0.68 0.00 0.07 0.00 0.00 59.98 59.74 3a12 h ARG 117 Cb -0.05 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 29.85 3a12 h ARG 117 CO -0.10 0.00 -0.61 0.14 -1.07 0.00 0.00 179.97 178.33 3a12 s VAL 118 N -4.37 4.43 -0.23 2.04 -7.23 -0.97 0.14 120.40 114.20 3a12 s VAL 118 Ca -0.04 -0.20 0.22 0.00 -1.81 0.00 0.00 61.98 60.15 3a12 s VAL 118 Cb 0.13 -2.87 -0.08 0.00 0.56 0.00 0.00 36.38 34.11 3a12 s VAL 118 CO 0.43 0.60 0.93 1.17 -0.31 0.00 0.00 175.10 177.92 3a12 n LYS 119 N 2.18 0.58 -3.64 4.82 4.81 0.16 -4.67 118.16 122.40 3a12 n LYS 119 Ca -0.19 0.04 -0.06 0.00 -0.87 0.00 0.00 58.31 57.24 3a12 n LYS 119 Cb 0.54 -1.74 -0.07 0.00 0.02 0.00 0.00 35.03 33.78 3a12 n LYS 119 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 3a12 s GLY 120 N -4.32 -0.16 -0.14 3.14 0.00 -1.05 -4.98 107.32 99.80 3a12 s GLY 120 Ca -0.02 2.82 -0.03 0.00 0.00 0.00 0.00 44.72 47.50 3a12 s GLY 120 CO 0.81 2.23 0.03 -2.27 0.00 0.00 0.00 173.10 173.91 3a12 s LEU 121 N 0.89 0.79 -0.11 0.66 2.96 -1.08 -0.85 118.68 121.94 3a12 s LEU 121 Ca -0.04 -0.49 0.04 0.00 -0.22 0.00 0.00 54.13 53.41 3a12 s LEU 121 Cb -0.04 -0.46 0.00 0.00 0.50 0.00 0.00 46.19 46.19 3a12 s LEU 121 CO -0.11 -0.27 -0.23 -0.60 -1.32 0.00 0.00 176.35 173.81 3a12 s ARG 122 N 1.96 3.05 -0.41 1.98 3.52 -0.64 -1.68 118.95 126.73 3a12 s ARG 122 Ca 0.02 -0.87 -0.26 0.00 -0.13 0.00 0.00 55.73 54.49 3a12 s ARG 122 Cb -0.15 -2.34 0.02 0.00 -1.56 0.00 0.00 34.95 30.92 3a12 s ARG 122 CO -0.07 0.13 0.93 -1.17 -0.81 0.00 0.00 175.30 174.31 3a12 s LEU 123 N 0.46 3.99 -0.14 -0.88 2.96 -0.36 0.27 118.68 124.97 3a12 s LEU 123 Ca -0.16 0.37 0.01 0.00 -0.22 0.00 0.00 54.13 54.14 3a12 s LEU 123 Cb -0.17 -3.24 -0.24 0.00 0.50 0.00 0.00 46.19 43.04 3a12 s LEU 123 CO 0.06 -0.95 0.28 -0.62 -1.32 0.00 0.00 176.35 173.80 3a12 n GLU 124 N 6.98 0.70 -3.75 1.98 -0.58 0.14 -0.86 120.64 125.25 3a12 n GLU 124 Ca 0.07 0.22 -0.10 0.00 -0.42 0.00 0.00 57.16 56.92 3a12 n GLU 124 Cb 0.48 -1.67 -0.07 0.00 -0.57 0.00 0.00 31.44 29.62 3a12 n GLU 124 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3a12 s ASP 125 N -6.59 -0.08 -0.15 1.62 -1.08 -1.11 -4.38 116.67 104.90 3a12 s ASP 125 Ca -0.20 -0.35 -0.03 0.00 -0.52 0.00 0.00 52.55 51.45 3a12 s ASP 125 Cb 0.07 0.38 0.05 0.00 -1.46 0.00 0.00 42.92 41.97 3a12 s ASP 125 CO 0.75 -0.70 0.05 -0.22 0.52 0.00 0.00 175.17 175.56 3a12 s LEU 126 N -2.46 0.75 -0.18 -1.34 2.96 -1.26 -1.32 118.68 115.83 3a12 s LEU 126 Ca -0.00 -0.56 -0.15 0.00 -0.22 0.00 0.00 54.13 53.20 3a12 s LEU 126 Cb 0.01 -0.43 -0.04 0.00 0.50 0.00 0.00 46.19 46.23 3a12 s LEU 126 CO -0.08 -0.29 0.36 -0.47 -1.32 0.00 0.00 176.35 174.55 3a12 s TYR 127 N 1.98 3.42 -0.17 5.38 5.04 0.11 -4.97 117.35 128.14 3a12 s TYR 127 Ca 0.01 0.63 -0.03 0.00 -2.44 0.00 0.00 57.07 55.24 3a12 s TYR 127 Cb -0.15 -2.46 -0.02 0.00 0.35 0.00 0.00 41.96 39.68 3a12 s TYR 127 CO -0.07 0.10 -0.05 -0.06 -1.34 0.00 0.00 175.55 174.12 3a12 s PHE 128 N 0.92 2.96 0.92 4.97 0.08 -1.26 -2.23 117.98 124.34 3a12 s PHE 128 Ca 0.19 -0.57 -0.11 0.00 0.12 0.00 0.00 56.93 56.56 3a12 s PHE 128 Cb -0.14 -1.99 0.14 0.00 -0.57 0.00 0.00 43.02 40.46 3a12 s PHE 128 CO 0.07 -0.24 1.10 -1.25 -0.10 0.00 0.00 175.22 174.79 3a12 s PRO 129 N 0.74 1.06 0.42 0.24 0.04 -1.26 -4.69 135.00 131.55 3a12 s PRO 129 Ca -0.02 1.09 0.19 0.00 0.04 0.00 0.00 61.00 62.30 3a12 s PRO 129 Cb -0.15 -1.77 1.13 0.00 0.04 0.00 0.00 34.50 33.76 3a12 s PRO 129 CO 0.02 -2.45 1.83 1.49 0.04 0.00 0.00 177.00 177.92 3a12 h GLU 130 N -1.72 0.36 -0.89 4.56 4.81 -1.82 -0.35 114.58 119.52 3a12 h GLU 130 Ca -0.48 -0.02 0.06 0.00 -0.13 0.00 0.00 59.36 58.78 3a12 h GLU 130 Cb 1.28 -0.08 -0.06 0.00 0.63 0.00 0.00 28.75 30.51 3a12 h GLU 130 CO 0.50 0.24 0.56 -0.22 -0.73 0.00 0.00 179.01 179.35 3a12 h LYS 131 N 0.37 1.00 0.12 1.92 3.64 -1.90 -0.93 116.57 120.79 3a12 h LYS 131 Ca 0.51 -0.06 -0.26 0.00 -1.27 0.00 0.00 60.65 59.57 3a12 h LYS 131 Cb 1.35 -0.23 0.03 0.00 -0.41 0.00 0.00 32.23 32.97 3a12 h LYS 131 CO -0.20 0.66 -1.09 -0.07 -2.27 0.00 0.00 179.45 176.49 3a12 h LEU 132 N 1.03 0.75 -0.79 5.20 4.07 -1.42 -3.15 115.31 121.00 3a12 h LEU 132 Ca 0.38 -0.85 0.18 0.00 0.08 0.00 0.00 57.88 57.68 3a12 h LEU 132 Cb 0.14 -0.24 -0.12 0.00 1.08 0.00 0.00 40.66 41.52 3a12 h LEU 132 CO -0.16 1.52 0.20 0.40 -1.08 0.00 0.00 178.44 179.32 3a12 h ILE 133 N 0.08 0.45 0.00 1.22 1.08 -1.04 0.48 117.51 119.78 3a12 h ILE 133 Ca -0.17 -0.09 0.00 0.00 -0.39 0.00 0.00 64.86 64.21 3a12 h ILE 133 Cb 1.80 0.17 0.00 0.00 -3.07 0.00 0.00 36.82 35.71 3a12 h ILE 133 CO 0.21 0.05 0.00 0.54 -0.69 0.00 0.00 178.15 178.26 3a12 n ARG 134 N -5.17 0.34 0.00 2.37 1.74 -0.39 -2.22 116.66 113.32 3a12 n ARG 134 Ca 0.17 0.07 0.14 0.00 -0.77 0.00 0.00 57.85 57.46 3a12 n ARG 134 Cb 0.53 -1.50 0.63 0.00 -1.02 0.00 0.00 32.46 31.10 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 -1.27 0.74 -4.07 5.56 1.02 0.16 -4.85 120.64 117.93 3a12 n GLU 135 Ca 0.11 -0.25 -0.22 0.00 -0.02 0.00 0.00 57.16 56.78 3a12 n GLU 135 Cb 0.17 -1.49 -0.06 0.00 -0.02 0.00 0.00 31.44 30.04 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 -2.43 2.81 -0.10 -0.32 0.08 -0.94 -4.90 117.98 112.18 3a12 s PHE 136 Ca 0.30 -0.30 0.16 0.00 0.12 0.00 0.00 56.93 57.22 3a12 s PHE 136 Cb 0.20 -1.56 -0.24 0.00 -0.57 0.00 0.00 43.02 40.85 3a12 s PHE 136 CO 0.46 0.38 0.21 -0.25 -0.10 0.00 0.00 175.22 175.92 3a12 n ASP 137 N -1.16 0.90 -0.51 1.36 8.00 -1.23 -5.03 116.55 118.89 3a12 n ASP 137 Ca -0.04 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.50 3a12 n ASP 137 Cb 0.60 1.31 -0.01 0.00 -0.02 0.00 0.00 41.12 43.00 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 1.76 -1.90 3.78 0.44 0.00 0.78 -4.74 105.19 105.30 3a12 n GLY 138 Ca -0.17 -1.32 -0.41 0.00 0.00 0.00 0.00 46.02 44.12 3a12 n GLY 138 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3a12 n PRO 139 N -1.64 2.69 0.09 1.61 -0.02 -1.24 -4.14 135.00 132.35 3a12 n PRO 139 Ca 0.00 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.43 3a12 n PRO 139 Cb 0.15 -2.68 -0.03 0.00 -0.02 0.00 0.00 33.50 30.92 3a12 n PRO 139 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3a12 h ALA 140 N 2.95 0.62 0.00 3.55 0.00 -1.88 -3.40 119.26 121.10 3a12 h ALA 140 Ca -0.51 -0.65 -0.14 0.00 0.00 0.00 0.00 54.91 53.61 3a12 h ALA 140 Cb 1.24 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 3a12 h ALA 140 CO 0.64 0.82 -1.26 1.19 0.00 0.00 0.00 179.25 180.63 3a12 n PHE 141 N -3.14 0.00 -4.82 0.00 3.72 -1.26 -4.94 117.46 107.01 3a12 n PHE 141 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 3a12 n PHE 141 Cb 0.80 -0.38 0.00 0.00 -0.94 0.00 0.00 39.48 38.96 3a12 n PHE 141 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3a12 n GLY 142 N 2.33 -1.05 0.16 1.37 0.00 -1.26 -0.56 105.19 106.17 3a12 n GLY 142 Ca -0.18 -1.06 -0.09 0.00 0.00 0.00 0.00 46.02 44.69 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 0.68 -0.32 -0.61 2.04 -1.35 -1.66 117.51 116.30 3a12 h ILE 143 Ca 0.00 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.92 3a12 h ILE 143 Cb 0.00 0.68 -0.05 0.00 -0.74 0.00 0.00 36.82 36.71 3a12 h ILE 143 CO 0.00 0.00 -0.01 -0.08 0.00 0.00 0.00 178.15 178.06 3a12 h GLU 144 N -0.10 0.08 -0.53 2.37 4.81 -1.84 -0.94 114.58 118.44 3a12 h GLU 144 Ca 0.10 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.28 3a12 h GLU 144 Cb 0.25 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 3a12 h GLU 144 CO -0.24 0.05 0.14 0.78 -0.73 0.00 0.00 179.01 179.02 3a12 h GLY 145 N 0.08 0.85 0.92 1.92 0.00 -0.50 -1.93 103.07 104.41 3a12 h GLY 145 Ca 0.15 -0.47 -0.19 0.00 0.00 0.00 0.00 47.33 46.82 3a12 h GLY 145 CO -0.26 0.44 -0.75 -2.08 0.00 0.00 0.00 176.54 173.89 3a12 h VAL 146 N 0.77 1.38 -0.73 4.60 2.07 -0.87 -1.63 116.25 121.85 3a12 h VAL 146 Ca 0.17 -2.14 -0.01 0.00 0.82 0.00 0.00 66.70 65.54 3a12 h VAL 146 Cb 0.26 2.55 -0.03 0.00 -1.52 0.00 0.00 31.29 32.54 3a12 h VAL 146 CO -0.01 0.64 0.42 0.03 0.02 0.00 0.00 177.57 178.67 3a12 h ARG 147 N 0.05 1.00 -0.24 1.57 3.08 -1.12 0.11 114.38 118.82 3a12 h ARG 147 Ca -0.09 -0.10 -0.00 0.00 0.07 0.00 0.00 59.98 59.85 3a12 h ARG 147 Cb 1.45 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 31.28 3a12 h ARG 147 CO 0.15 0.72 0.13 -0.22 -1.07 0.00 0.00 179.97 179.68 3a12 h LYS 148 N 1.00 0.33 -0.75 0.04 3.64 -1.40 0.36 116.57 119.79 3a12 h LYS 148 Ca 0.26 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.63 3a12 h LYS 148 Cb -0.01 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.71 3a12 h LYS 148 CO -0.05 0.29 0.49 1.98 -2.27 0.00 0.00 179.45 179.89 3a12 h MET 149 N 0.28 0.93 -0.01 1.90 4.05 -0.73 -2.27 114.93 119.08 3a12 h MET 149 Ca 0.08 -0.06 0.00 0.00 -0.28 0.00 0.00 59.70 59.45 3a12 h MET 149 Cb 0.05 -0.21 0.00 0.00 -0.80 0.00 0.00 31.60 30.64 3a12 h MET 149 CO -0.01 0.62 -0.24 1.28 0.23 0.00 0.00 176.91 178.78 3a12 n LEU 150 N -4.60 1.35 -3.68 3.39 4.77 -0.03 -4.93 117.00 113.28 3a12 n LEU 150 Ca 0.08 -0.42 -0.22 0.00 -0.03 0.00 0.00 56.01 55.42 3a12 n LEU 150 Cb 0.06 -0.08 0.03 0.00 -2.33 0.00 0.00 43.42 41.11 3a12 n LEU 150 CO 0.34 0.25 -0.07 -0.62 -1.33 0.00 0.00 177.39 175.96 3a12 n GLU 151 N -0.32 -4.26 -3.85 3.23 1.02 0.12 -4.36 120.64 112.22 3a12 n GLU 151 Ca 0.13 0.61 -0.30 0.00 -0.02 0.00 0.00 57.16 57.57 3a12 n GLU 151 Cb 0.38 -5.07 -0.15 0.00 -0.02 0.00 0.00 31.44 26.58 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 -3.65 1.36 -0.03 -3.67 1.01 -0.63 -4.98 121.20 110.61 3a12 s ILE 152 Ca 0.08 -1.60 -0.24 0.00 0.00 0.00 0.00 60.65 58.89 3a12 s ILE 152 Cb -0.02 -1.95 -0.22 0.00 0.01 0.00 0.00 42.46 40.28 3a12 s ILE 152 CO 0.82 -0.54 1.09 0.11 0.00 0.00 0.00 174.94 176.41 3a12 h LYS 153 N 7.94 0.21 0.00 2.79 6.56 -1.94 -3.44 116.57 128.70 3a12 h LYS 153 Ca -0.12 -0.20 0.00 0.00 -1.06 0.00 0.00 60.65 59.28 3a12 h LYS 153 Cb 1.03 0.05 0.00 0.00 -0.57 0.00 0.00 32.23 32.74 3a12 h LYS 153 CO 0.47 0.89 -0.79 -0.25 -2.06 0.00 0.00 179.45 177.71 3a12 n ASP 154 N -4.50 1.51 -4.65 0.86 8.00 -1.26 -5.08 116.55 111.43 3a12 n ASP 154 Ca -0.09 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.11 3a12 n ASP 154 Cb 0.49 0.00 0.17 0.00 -0.02 0.00 0.00 41.12 41.76 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 -1.90 0.69 0.62 -1.24 1.70 -1.26 -4.68 118.95 112.89 3a12 s ARG 155 Ca 0.00 1.06 -0.17 0.00 -0.47 0.00 0.00 55.73 56.15 3a12 s ARG 155 Cb 0.00 -1.72 -0.02 0.00 -0.57 0.00 0.00 34.95 32.64 3a12 s ARG 155 CO 0.00 -2.70 1.15 -2.14 -1.08 0.00 0.00 175.30 170.53 3a12 s PRO 156 N -4.73 2.91 0.16 3.89 0.02 -1.21 -4.89 135.00 131.14 3a12 s PRO 156 Ca 0.65 1.59 -0.28 0.00 0.02 0.00 0.00 61.00 62.99 3a12 s PRO 156 Cb -0.21 -1.95 -0.07 0.00 0.02 0.00 0.00 34.50 32.29 3a12 s PRO 156 CO 0.59 -1.20 0.86 0.42 -0.33 0.00 0.00 177.00 177.34 3a12 s ILE 157 N -1.98 4.36 -0.04 2.83 -1.09 -0.98 -4.91 121.20 119.39 3a12 s ILE 157 Ca 0.72 1.89 0.04 0.00 -2.23 0.00 0.00 60.65 61.07 3a12 s ILE 157 Cb -0.25 -4.23 -0.00 0.00 -1.58 0.00 0.00 42.46 36.40 3a12 s ILE 157 CO 0.36 0.45 -0.16 -0.47 -1.23 0.00 0.00 174.94 173.89 3a12 s TYR 158 N -0.76 1.57 0.31 3.97 5.04 -1.26 0.10 117.35 126.33 3a12 s TYR 158 Ca 0.40 -0.42 -0.13 0.00 -2.44 0.00 0.00 57.07 54.47 3a12 s TYR 158 Cb -0.24 -1.06 0.02 0.00 0.35 0.00 0.00 41.96 41.03 3a12 s TYR 158 CO 0.28 -0.13 0.62 0.20 -1.34 0.00 0.00 175.55 175.17 3a12 s GLY 159 N -0.01 0.54 -0.02 8.97 0.00 -0.61 0.49 107.32 116.68 3a12 s GLY 159 Ca -0.02 -0.85 0.02 0.00 0.00 0.00 0.00 44.72 43.87 3a12 s GLY 159 CO 0.01 -0.50 -0.06 0.14 0.00 0.00 0.00 173.10 172.70 3a12 s VAL 160 N -3.34 0.57 -0.20 1.40 1.01 -0.53 -1.90 120.40 117.42 3a12 s VAL 160 Ca 0.20 -0.23 -0.14 0.00 0.00 0.00 0.00 61.98 61.80 3a12 s VAL 160 Cb -0.03 -0.53 -0.04 0.00 0.00 0.00 0.00 36.38 35.78 3a12 s VAL 160 CO 0.11 0.19 0.32 -0.69 0.00 0.00 0.00 175.10 175.04 3a12 s VAL 161 N 0.31 5.26 0.23 2.92 1.01 -1.26 -4.41 120.40 124.46 3a12 s VAL 161 Ca -0.04 0.57 -0.31 0.00 0.00 0.00 0.00 61.98 62.20 3a12 s VAL 161 Cb -0.08 -3.66 -0.11 0.00 0.00 0.00 0.00 36.38 32.53 3a12 s VAL 161 CO 0.00 0.31 1.57 -2.84 0.00 0.00 0.00 175.10 174.14 3a12 s PRO 162 N 1.01 4.19 0.02 2.72 0.02 -1.26 -4.44 135.00 137.26 3a12 s PRO 162 Ca 0.16 2.45 0.09 0.00 0.02 0.00 0.00 61.00 63.72 3a12 s PRO 162 Cb -0.14 -3.09 -0.02 0.00 0.02 0.00 0.00 34.50 31.26 3a12 s PRO 162 CO 0.06 -0.59 -0.26 0.15 -0.33 0.00 0.00 177.00 176.03 3a12 s LYS 163 N 0.30 1.90 0.76 5.54 -0.14 -1.26 -4.20 119.74 122.64 3a12 s LYS 163 Ca 0.66 -1.02 -0.15 0.00 -1.36 0.00 0.00 55.97 54.10 3a12 s LYS 163 Cb -0.45 -1.97 0.05 0.00 -1.68 0.00 0.00 37.83 33.77 3a12 s LYS 163 CO 0.39 0.52 1.15 -0.35 -0.76 0.00 0.00 175.35 176.30 3a12 n PRO 164 N 2.06 0.43 -0.21 -1.68 -0.04 -1.26 -5.05 135.00 129.25 3a12 n PRO 164 Ca -0.16 0.21 0.01 0.00 -0.04 0.00 0.00 63.50 63.52 3a12 n PRO 164 Cb 0.52 -2.39 0.12 0.00 -0.04 0.00 0.00 33.50 31.70 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 -0.49 0.37 -4.13 0.54 1.57 -1.98 -3.44 116.57 109.00 3a12 h LYS 165 Ca -0.47 -0.02 -0.14 0.00 -1.87 0.00 0.00 60.65 58.14 3a12 h LYS 165 Cb 1.31 -0.08 -0.14 0.00 0.08 0.00 0.00 32.23 33.40 3a12 h LYS 165 CO 0.47 0.24 -0.47 0.14 -0.57 0.00 0.00 179.45 179.26 3a12 s VAL 166 N -6.09 0.09 0.00 0.50 -7.23 -1.26 -4.68 120.40 101.73 3a12 s VAL 166 Ca -0.13 -1.63 0.00 0.00 -1.81 0.00 0.00 61.98 58.41 3a12 s VAL 166 Cb 0.18 -1.92 0.00 0.00 0.56 0.00 0.00 36.38 35.19 3a12 s VAL 166 CO 0.75 -0.39 0.00 0.61 -0.31 0.00 0.00 175.10 175.76 3a12 n GLY 167 N -0.15 0.84 3.83 2.32 0.00 -1.26 -5.10 105.19 105.67 3a12 n GLY 167 Ca -0.07 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.70 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 3.19 0.39 1.61 -0.85 -1.26 -5.12 117.35 113.31 3a12 s TYR 168 Ca 0.00 -0.03 0.02 0.00 -0.52 0.00 0.00 57.07 56.55 3a12 s TYR 168 Cb 0.00 -1.50 -0.01 0.00 0.38 0.00 0.00 41.96 40.83 3a12 s TYR 168 CO 0.00 0.52 0.58 -1.54 -1.52 0.00 0.00 175.55 173.58 3a12 s SER 169 N -3.35 5.96 0.39 -0.18 1.04 -1.26 -4.59 113.70 111.71 3a12 s SER 169 Ca 0.32 0.15 0.06 0.00 0.48 0.00 0.00 55.95 56.96 3a12 s SER 169 Cb -0.10 -1.52 0.78 0.00 0.10 0.00 0.00 66.02 65.28 3a12 s SER 169 CO 0.25 -0.53 1.99 -0.65 0.98 0.00 0.00 173.24 175.28 3a12 h PRO 170 N 0.63 0.51 -0.25 4.02 0.11 -1.96 0.40 132.00 135.47 3a12 h PRO 170 Ca -0.47 -0.06 -0.13 0.00 0.11 0.00 0.00 66.00 65.45 3a12 h PRO 170 Cb 1.25 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 3a12 h PRO 170 CO 0.57 0.42 -0.36 0.93 -0.21 0.00 0.00 178.00 179.34 3a12 h GLU 171 N 0.52 0.70 -0.50 1.05 3.07 -1.94 -0.29 114.58 117.18 3a12 h GLU 171 Ca 0.13 -0.41 -0.01 0.00 -0.50 0.00 0.00 59.36 58.57 3a12 h GLU 171 Cb 0.08 0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.01 3a12 h GLU 171 CO -0.02 1.03 0.26 0.93 -1.40 0.00 0.00 179.01 179.81 3a12 h GLU 172 N 0.42 0.71 -0.83 2.33 5.08 -1.89 -2.64 114.58 117.76 3a12 h GLU 172 Ca 0.03 -0.10 0.11 0.00 -1.00 0.00 0.00 59.36 58.41 3a12 h GLU 172 Cb 0.95 -0.13 -0.08 0.00 0.50 0.00 0.00 28.75 29.99 3a12 h GLU 172 CO 0.08 0.58 0.46 0.35 -1.00 0.00 0.00 179.01 179.48 3a12 h PHE 173 N 0.67 0.82 -0.42 4.33 3.57 -0.82 -3.12 116.94 121.97 3a12 h PHE 173 Ca 0.17 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.77 3a12 h PHE 173 Cb 0.09 -0.24 -0.09 0.00 2.79 0.00 0.00 35.95 38.50 3a12 h PHE 173 CO -0.01 0.28 -0.44 1.49 -2.23 0.00 0.00 178.31 177.40 3a12 h GLU 174 N 0.72 -0.31 -0.39 1.11 4.81 -0.66 0.44 114.58 120.29 3a12 h GLU 174 Ca 0.42 0.02 -0.14 0.00 -0.13 0.00 0.00 59.36 59.54 3a12 h GLU 174 Cb 0.48 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 3a12 h GLU 174 CO -0.29 -0.21 -0.29 1.57 -0.73 0.00 0.00 179.01 179.05 3a12 h LYS 175 N -0.33 0.86 0.13 1.92 2.10 -1.63 -2.12 116.57 117.51 3a12 h LYS 175 Ca 0.13 -0.39 0.02 0.00 -2.00 0.00 0.00 60.65 58.41 3a12 h LYS 175 Cb 0.58 -0.01 -0.04 0.00 -0.90 0.00 0.00 32.23 31.86 3a12 h LYS 175 CO -0.59 1.04 -0.29 1.25 -2.00 0.00 0.00 179.45 178.85 3a12 h LEU 176 N 0.73 -0.84 -0.66 7.07 5.85 -1.35 -1.15 115.31 124.97 3a12 h LEU 176 Ca 0.08 0.10 0.05 0.00 0.84 0.00 0.00 57.88 58.94 3a12 h LEU 176 Cb 0.85 0.32 -0.05 0.00 0.37 0.00 0.00 40.66 42.15 3a12 h LEU 176 CO 0.07 -0.39 0.38 0.00 -0.34 0.00 0.00 178.44 178.17 3a12 h ALA 177 N 0.16 0.87 -0.30 1.25 0.00 -0.87 -0.19 119.26 120.18 3a12 h ALA 177 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3a12 h ALA 177 Cb 0.54 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3a12 h ALA 177 CO -0.16 0.09 0.20 -0.92 0.00 0.00 0.00 179.25 178.45 3a12 h TYR 178 N 0.72 0.38 -0.14 0.00 3.20 -1.14 -1.47 116.97 118.52 3a12 h TYR 178 Ca 0.28 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.15 3a12 h TYR 178 Cb 0.12 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 3a12 h TYR 178 CO -0.07 0.24 0.05 -0.44 -1.64 0.00 0.00 178.16 176.30 3a12 h ASP 179 N 0.41 0.20 0.22 -2.11 3.32 -0.57 -1.11 116.42 116.78 3a12 h ASP 179 Ca 0.11 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 3a12 h ASP 179 Cb -0.04 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 39.45 3a12 h ASP 179 CO -0.03 0.32 -0.12 -0.07 -1.72 0.00 0.00 179.24 177.62 3a12 h LEU 180 N 0.07 -0.30 -0.99 1.55 3.38 -0.92 -2.06 115.31 116.03 3a12 h LEU 180 Ca 0.05 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 3a12 h LEU 180 Cb 0.18 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3a12 h LEU 180 CO -0.00 -0.20 -0.13 -0.07 0.09 0.00 0.00 178.44 178.12 3a12 h LEU 181 N -0.33 0.56 -1.80 1.67 3.38 -1.30 -2.01 115.31 115.49 3a12 h LEU 181 Ca -0.02 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 3a12 h LEU 181 Cb 0.26 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 3a12 h LEU 181 CO 0.03 0.72 -0.12 0.28 0.09 0.00 0.00 178.44 179.44 3a12 h SER 182 N 0.53 0.00 -0.40 -0.43 0.02 -0.98 -3.09 113.55 109.19 3a12 h SER 182 Ca 0.09 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.92 3a12 h SER 182 Cb 0.54 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.01 3a12 h SER 182 CO 0.03 0.12 0.04 0.59 -1.14 0.00 0.00 176.83 176.48 3a12 n ASN 183 N -3.52 3.49 0.00 3.07 3.02 -0.79 -4.95 115.26 115.58 3a12 n ASN 183 Ca -0.01 -3.35 0.00 0.00 -0.03 0.00 0.00 54.58 51.18 3a12 n ASN 183 Cb 0.27 -0.62 0.00 0.00 -0.61 0.00 0.00 39.78 38.82 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 -0.72 2.18 3.76 7.41 0.00 -1.14 -2.92 105.19 113.75 3a12 n GLY 184 Ca 0.30 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.91 3a12 n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a12 s ALA 185 N -1.95 3.66 -0.17 4.61 0.00 -0.92 -4.91 121.76 122.08 3a12 s ALA 185 Ca 0.00 1.49 0.17 0.00 0.00 0.00 0.00 51.96 53.62 3a12 s ALA 185 Cb 0.00 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.52 3a12 s ALA 185 CO 0.00 -0.91 1.19 -0.44 0.00 0.00 0.00 175.76 175.60 3a12 h ASP 186 N 4.41 0.00 -4.91 0.00 3.32 -0.31 -3.41 116.42 115.53 3a12 h ASP 186 Ca -0.48 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.55 3a12 h ASP 186 Cb 1.22 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 40.61 3a12 h ASP 186 CO 0.75 0.44 0.25 -0.72 -1.72 0.00 0.00 179.24 178.23 3a12 s TYR 187 N -3.01 -0.57 0.00 4.55 -0.85 -1.20 -2.20 117.35 114.07 3a12 s TYR 187 Ca 0.01 0.72 0.00 0.00 -0.52 0.00 0.00 57.07 57.28 3a12 s TYR 187 Cb 0.08 0.48 0.00 0.00 0.38 0.00 0.00 41.96 42.90 3a12 s TYR 187 CO 0.77 -0.68 0.00 -1.33 -1.52 0.00 0.00 175.55 172.79 3a12 n MET 188 N 0.32 1.31 -4.96 -3.49 2.81 -1.11 -1.45 117.12 110.55 3a12 n MET 188 Ca -0.17 0.00 -0.32 0.00 -1.81 0.00 0.00 57.70 55.40 3a12 n MET 188 Cb 0.60 0.00 -0.14 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 3.86 0.88 7.83 1.01 -0.74 -1.09 116.67 127.44 3a12 s ASP 190 Ca 0.00 -0.24 -0.11 0.00 0.71 0.00 0.00 52.55 52.90 3a12 s ASP 190 Cb 0.00 -0.77 0.12 0.00 1.01 0.00 0.00 42.92 43.29 3a12 s ASP 190 CO 0.00 0.34 1.17 -0.62 0.21 0.00 0.00 175.17 176.27 3a12 s ASP 191 N -0.70 3.14 0.42 0.27 -1.08 -1.26 -4.83 116.67 112.62 3a12 s ASP 191 Ca 0.11 2.26 0.29 0.00 -0.52 0.00 0.00 52.55 54.69 3a12 s ASP 191 Cb -0.11 -2.58 1.23 0.00 -1.46 0.00 0.00 42.92 40.01 3a12 s ASP 191 CO 0.00 -2.96 1.87 1.05 0.52 0.00 0.00 175.17 175.65 3a12 h GLU 192 N -1.54 0.00 -0.02 4.34 9.09 -2.00 -2.69 114.58 121.76 3a12 h GLU 192 Ca -0.44 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.97 3a12 h GLU 192 Cb 1.28 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.38 3a12 h GLU 192 CO 0.43 0.00 -0.22 0.27 0.05 0.00 0.00 179.01 179.54 3a12 n ASN 193 N -2.70 2.15 -4.52 3.06 6.94 -1.26 -4.85 115.26 114.08 3a12 n ASN 193 Ca 0.01 -1.57 -0.43 0.00 -0.02 0.00 0.00 54.58 52.57 3a12 n ASN 193 Cb 0.26 0.27 -0.04 0.00 -2.36 0.00 0.00 39.78 37.91 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 -1.95 3.97 0.00 -4.53 2.96 -1.02 -4.93 118.68 113.19 3a12 s LEU 194 Ca 0.18 -0.39 0.00 0.00 -0.22 0.00 0.00 54.13 53.71 3a12 s LEU 194 Cb 0.15 -2.80 0.00 0.00 0.50 0.00 0.00 46.19 44.05 3a12 s LEU 194 CO 0.37 -1.34 0.00 0.35 -1.32 0.00 0.00 176.35 174.40 3a12 n THR 195 N 6.24 0.00 -3.05 3.68 -2.24 -1.26 -4.72 114.28 112.92 3a12 n THR 195 Ca 0.02 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.62 3a12 n THR 195 Cb 0.47 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.68 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 1.47 -4.82 3.42 2.88 -1.26 -4.10 113.62 111.21 3a12 n SER 196 Ca 0.00 -3.06 -0.29 0.00 -1.33 0.00 0.00 58.87 54.19 3a12 n SER 196 Cb 0.00 -0.59 0.12 0.00 -0.75 0.00 0.00 64.21 62.98 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 -2.70 1.50 0.28 -1.46 0.04 -1.24 -4.70 135.00 126.73 3a12 s PRO 197 Ca 0.39 0.18 0.01 0.00 0.04 0.00 0.00 61.00 61.62 3a12 s PRO 197 Cb 0.36 -1.89 0.53 0.00 0.04 0.00 0.00 34.50 33.54 3a12 s PRO 197 CO -0.07 -1.93 1.85 0.11 0.04 0.00 0.00 177.00 177.00 3a12 h TRP 198 N -1.30 1.15 0.00 0.56 5.08 -2.01 -1.23 115.95 118.20 3a12 h TRP 198 Ca -0.48 0.03 0.00 0.00 1.08 0.00 0.00 58.89 59.52 3a12 h TRP 198 Cb 1.33 -0.37 0.00 0.00 -3.00 0.00 0.00 29.16 27.12 3a12 h TRP 198 CO 0.24 0.49 0.00 2.48 -1.28 0.00 0.00 178.44 180.38 3a12 n TYR 199 N -4.58 0.00 -2.75 0.12 0.18 -1.26 -4.30 117.16 104.57 3a12 n TYR 199 Ca 0.18 0.00 -0.05 0.00 1.88 0.00 0.00 57.90 59.91 3a12 n TYR 199 Cb 0.31 -0.40 0.03 0.00 -0.38 0.00 0.00 39.34 38.90 3a12 n TYR 199 CO 0.00 0.00 0.00 -1.71 -2.08 0.00 0.00 176.86 173.07 3a12 n ASN 200 N -1.40 -3.10 -4.75 9.48 2.85 -0.48 -4.05 115.26 113.82 3a12 n ASN 200 Ca 0.08 -2.85 -0.41 0.00 -0.11 0.00 0.00 54.58 51.28 3a12 n ASN 200 Cb 0.22 1.67 -0.02 0.00 1.24 0.00 0.00 39.78 42.89 3a12 n ASN 200 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 3a12 s ARG 201 N 0.80 4.26 0.19 1.20 1.81 -1.09 -3.70 118.95 122.43 3a12 s ARG 201 Ca 0.30 2.32 -0.18 0.00 -1.72 0.00 0.00 55.73 56.45 3a12 s ARG 201 Cb 0.08 -3.10 0.15 0.00 -0.45 0.00 0.00 34.95 31.63 3a12 s ARG 201 CO -0.11 -0.43 1.61 0.35 -0.68 0.00 0.00 175.30 176.03 3a12 h PHE 202 N 5.00 -0.65 -0.04 -0.53 3.57 -1.84 -1.54 116.94 120.91 3a12 h PHE 202 Ca -0.46 0.06 -0.04 0.00 3.53 0.00 0.00 57.97 61.05 3a12 h PHE 202 Cb 1.22 0.37 -0.01 0.00 2.79 0.00 0.00 35.95 40.32 3a12 h PHE 202 CO 0.60 -0.33 -0.19 1.05 -2.23 0.00 0.00 178.31 177.21 3a12 h GLU 203 N -0.12 0.06 0.14 1.11 9.09 -1.94 -1.05 114.58 121.88 3a12 h GLU 203 Ca 0.24 -0.01 -0.01 0.00 0.05 0.00 0.00 59.36 59.63 3a12 h GLU 203 Cb 0.50 -0.01 0.00 0.00 -1.65 0.00 0.00 28.75 27.60 3a12 h GLU 203 CO -0.61 0.25 -0.07 0.93 0.05 0.00 0.00 179.01 179.56 3a12 h GLU 204 N 0.06 -0.18 0.00 1.06 5.08 -1.67 -1.67 114.58 117.25 3a12 h GLU 204 Ca 0.01 0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.31 3a12 h GLU 204 Cb 0.37 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 3a12 h GLU 204 CO 0.03 0.20 -0.34 0.07 -1.00 0.00 0.00 179.01 177.97 3a12 h ARG 205 N -0.62 0.00 -0.30 2.33 0.11 -1.34 -1.67 114.38 112.88 3a12 h ARG 205 Ca -0.02 0.00 0.02 0.00 0.10 0.00 0.00 59.98 60.08 3a12 h ARG 205 Cb 0.47 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.53 3a12 h ARG 205 CO 0.03 0.34 0.17 0.00 0.10 0.00 0.00 179.97 180.61 3a12 h ALA 206 N 1.66 0.38 -0.68 0.08 0.00 -1.14 0.33 119.26 119.88 3a12 h ALA 206 Ca -0.00 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.92 3a12 h ALA 206 Cb 0.67 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 3a12 h ALA 206 CO 0.04 -0.21 0.44 0.93 0.00 0.00 0.00 179.25 180.46 3a12 h GLU 207 N 0.35 0.86 -0.44 0.00 4.39 -0.75 -0.92 114.58 118.06 3a12 h GLU 207 Ca 0.12 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.75 3a12 h GLU 207 Cb 0.02 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.45 3a12 h GLU 207 CO -0.07 0.57 0.18 0.82 -1.16 0.00 0.00 179.01 179.35 3a12 h ILE 208 N 0.88 1.20 -0.46 3.13 2.04 -0.90 -2.83 117.51 120.57 3a12 h ILE 208 Ca 0.26 -0.62 -0.12 0.00 1.00 0.00 0.00 64.86 65.37 3a12 h ILE 208 Cb -0.06 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 3a12 h ILE 208 CO -0.07 0.23 -0.20 0.24 0.00 0.00 0.00 178.15 178.34 3a12 h MET 209 N 0.57 0.93 -0.39 2.37 2.86 0.01 -1.21 114.93 120.07 3a12 h MET 209 Ca 0.15 -0.38 0.06 0.00 -2.06 0.00 0.00 59.70 57.46 3a12 h MET 209 Cb 0.19 -0.04 -0.05 0.00 0.06 0.00 0.00 31.60 31.76 3a12 h MET 209 CO -0.01 1.04 0.09 0.00 1.06 0.00 0.00 176.91 179.09 3a12 h ALA 210 N 0.95 0.43 -0.44 6.32 0.00 -1.17 0.18 119.26 125.53 3a12 h ALA 210 Ca 0.11 0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 3a12 h ALA 210 Cb 0.76 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 3a12 h ALA 210 CO 0.06 -0.31 -0.15 1.57 0.00 0.00 0.00 179.25 180.43 3a12 h LYS 211 N 0.23 0.87 -0.10 0.00 2.10 -1.28 -2.73 116.57 115.65 3a12 h LYS 211 Ca 0.19 -0.35 -0.01 0.00 -2.00 0.00 0.00 60.65 58.47 3a12 h LYS 211 Cb 0.21 -0.04 -0.00 0.00 -0.90 0.00 0.00 32.23 31.49 3a12 h LYS 211 CO -0.23 1.00 0.01 0.82 -2.00 0.00 0.00 179.45 179.04 3a12 h ILE 212 N 0.70 1.24 -0.62 0.07 2.04 -1.02 -1.58 117.51 118.34 3a12 h ILE 212 Ca 0.11 -0.75 0.10 0.00 1.00 0.00 0.00 64.86 65.31 3a12 h ILE 212 Cb 0.70 1.54 -0.07 0.00 -0.74 0.00 0.00 36.82 38.25 3a12 h ILE 212 CO 0.05 0.21 0.23 0.40 0.00 0.00 0.00 178.15 179.05 3a12 h ILE 213 N -0.08 0.77 -0.46 -0.67 2.04 -0.98 0.18 117.51 118.31 3a12 h ILE 213 Ca 0.03 -0.14 -0.02 0.00 1.00 0.00 0.00 64.86 65.73 3a12 h ILE 213 Cb 0.32 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 3a12 h ILE 213 CO 0.00 0.08 0.20 0.44 0.00 0.00 0.00 178.15 178.87 3a12 h ASP 214 N 0.41 0.61 0.40 1.72 3.32 -1.41 0.09 116.42 121.56 3a12 h ASP 214 Ca 0.31 -0.15 -0.02 0.00 0.02 0.00 0.00 57.03 57.20 3a12 h ASP 214 Cb 0.39 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.78 3a12 h ASP 214 CO -0.31 0.59 -0.19 0.50 -1.72 0.00 0.00 179.24 178.11 3a12 h LYS 215 N 0.59 -0.52 -0.77 3.56 3.64 -0.52 -3.03 116.57 119.52 3a12 h LYS 215 Ca 0.15 0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.52 3a12 h LYS 215 Cb 0.15 0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.06 3a12 h LYS 215 CO -0.02 -0.31 0.30 0.28 -2.27 0.00 0.00 179.45 177.43 3a12 h VAL 216 N -0.59 1.26 -0.45 2.00 2.07 -0.59 -2.15 116.25 117.79 3a12 h VAL 216 Ca -0.05 -0.83 0.01 0.00 0.82 0.00 0.00 66.70 66.65 3a12 h VAL 216 Cb 0.44 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 3a12 h VAL 216 CO 0.09 0.34 0.28 -0.33 0.02 0.00 0.00 177.57 177.97 3a12 h GLU 217 N 1.12 0.55 -0.01 1.57 5.08 -0.96 -0.75 114.58 121.19 3a12 h GLU 217 Ca 0.25 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 3a12 h GLU 217 Cb 0.23 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.36 3a12 h GLU 217 CO -0.02 0.36 -0.28 0.27 -1.00 0.00 0.00 179.01 178.34 3a12 n ASN 218 N -4.81 0.88 0.11 1.42 0.23 -1.15 0.45 115.26 112.39 3a12 n ASN 218 Ca 0.02 -0.74 -0.19 0.00 -0.53 0.00 0.00 54.58 53.14 3a12 n ASN 218 Cb 0.05 0.13 -0.15 0.00 -2.08 0.00 0.00 39.78 37.73 3a12 n ASN 218 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 3a12 h GLU 219 N 0.94 0.35 0.00 -3.83 5.08 -1.02 -3.40 114.58 112.70 3a12 h GLU 219 Ca 0.00 -0.60 0.00 0.00 -1.00 0.00 0.00 59.36 57.76 3a12 h GLU 219 Cb 0.49 0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.96 3a12 h GLU 219 CO 0.00 1.27 -0.92 0.25 -1.00 0.00 0.00 179.01 178.61 3a12 n THR 220 N -3.57 0.00 -0.92 1.13 -2.24 -0.32 -4.99 114.28 103.37 3a12 n THR 220 Ca -0.13 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 3a12 n THR 220 Cb 1.05 0.69 0.00 0.00 -2.10 0.00 0.00 70.33 69.98 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 1.50 0.43 3.91 3.38 0.00 0.17 -5.01 105.19 109.58 3a12 n GLY 221 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.61 3.56 0.05 1.61 0.41 -1.18 -5.00 118.70 117.54 3a12 s GLU 222 Ca 0.00 -0.21 -0.22 0.00 -0.41 0.00 0.00 54.97 54.13 3a12 s GLU 222 Cb 0.00 -2.87 -0.06 0.00 -1.78 0.00 0.00 34.13 29.42 3a12 s GLU 222 CO 0.00 0.46 0.67 0.15 -0.49 0.00 0.00 175.26 176.05 3a12 s LYS 223 N -2.84 4.39 0.16 1.61 -0.14 -1.26 -4.20 119.74 117.45 3a12 s LYS 223 Ca 0.40 0.90 0.06 0.00 -1.36 0.00 0.00 55.97 55.96 3a12 s LYS 223 Cb -0.12 -3.32 -0.04 0.00 -1.68 0.00 0.00 37.83 32.67 3a12 s LYS 223 CO 0.26 0.43 -0.12 0.15 -0.76 0.00 0.00 175.35 175.31 3a12 s LYS 224 N -0.47 1.13 0.27 1.68 -0.14 -1.26 -4.91 119.74 116.04 3a12 s LYS 224 Ca 0.34 -1.46 -0.01 0.00 -1.36 0.00 0.00 55.97 53.48 3a12 s LYS 224 Cb -0.20 -0.80 0.00 0.00 -1.68 0.00 0.00 37.83 35.16 3a12 s LYS 224 CO 0.21 0.12 0.37 -2.37 -0.76 0.00 0.00 175.35 172.92 3a12 n THR 225 N -0.15 0.00 -3.67 2.17 5.66 -0.93 -5.02 114.28 112.34 3a12 n THR 225 Ca -0.10 -1.43 -0.10 0.00 -3.05 0.00 0.00 64.05 59.37 3a12 n THR 225 Cb 0.60 0.87 -0.10 0.00 -1.55 0.00 0.00 70.33 70.14 3a12 n THR 225 CO 0.00 0.00 0.00 0.86 -3.05 0.00 0.00 175.07 172.88 3a12 s TRP 226 N -3.35 -0.69 -0.77 1.09 -0.00 -1.26 -2.74 118.94 111.22 3a12 s TRP 226 Ca 0.23 1.38 -0.23 0.00 -0.00 0.00 0.00 56.10 57.49 3a12 s TRP 226 Cb -0.01 0.25 0.07 0.00 -0.00 0.00 0.00 33.47 33.79 3a12 s TRP 226 CO 0.17 -0.42 1.13 -0.06 -0.00 0.00 0.00 176.95 177.76 3a12 s PHE 227 N 2.21 2.64 -0.36 5.86 0.08 -0.25 -4.19 117.98 123.97 3a12 s PHE 227 Ca -0.04 -0.62 -0.21 0.00 0.12 0.00 0.00 56.93 56.18 3a12 s PHE 227 Cb -0.11 -4.42 0.00 0.00 -0.57 0.00 0.00 43.02 37.92 3a12 s PHE 227 CO -0.12 -1.76 0.67 0.00 -0.10 0.00 0.00 175.22 173.91 3a12 s ALA 228 N 4.34 3.45 -0.67 5.36 0.00 -1.26 -1.79 121.76 131.19 3a12 s ALA 228 Ca 0.30 -0.80 -0.26 0.00 0.00 0.00 0.00 51.96 51.19 3a12 s ALA 228 Cb -0.11 -3.22 -0.00 0.00 0.00 0.00 0.00 23.12 19.79 3a12 s ALA 228 CO 0.05 -1.37 1.67 1.21 0.00 0.00 0.00 175.76 177.32 3a12 s ASN 229 N 1.80 5.58 0.00 0.00 2.47 -1.26 -0.19 114.94 123.33 3a12 s ASN 229 Ca 0.26 0.00 0.29 0.00 0.42 0.00 0.00 52.86 53.83 3a12 s ASN 229 Cb -0.14 -2.54 1.54 0.00 -1.45 0.00 0.00 41.25 38.66 3a12 s ASN 229 CO 0.15 -2.20 2.01 2.30 -3.72 0.00 0.00 177.10 175.64 3a12 n ILE 230 N 6.97 0.01 -1.63 -5.21 -5.35 -0.58 -4.77 119.36 108.81 3a12 n ILE 230 Ca 0.16 -0.08 -0.53 0.00 -0.27 0.00 0.00 62.75 62.03 3a12 n ILE 230 Cb 0.51 -0.20 -0.06 0.00 -1.74 0.00 0.00 39.64 38.15 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 -0.63 0.10 -1.69 7.28 -1.04 -1.26 -4.38 114.28 112.66 3a12 n THR 231 Ca 0.21 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.20 3a12 n THR 231 Cb 0.17 -0.97 0.00 0.00 -1.82 0.00 0.00 70.33 67.71 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 3.44 0.00 -1.19 2.41 0.00 -1.26 -4.88 120.51 119.04 3a12 n ALA 232 Ca 0.21 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.32 3a12 n ALA 232 Cb 0.18 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.73 3a12 n ALA 232 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3a12 s ASP 233 N -2.12 4.04 0.14 0.00 1.01 -1.26 -4.69 116.67 113.79 3a12 s ASP 233 Ca 0.00 2.16 -0.28 0.00 0.71 0.00 0.00 52.55 55.14 3a12 s ASP 233 Cb 0.00 -2.57 -0.03 0.00 1.01 0.00 0.00 42.92 41.33 3a12 s ASP 233 CO 0.00 -2.35 1.58 0.25 0.21 0.00 0.00 175.17 174.86 3a12 h LEU 234 N -0.82 -1.35 -0.75 1.23 5.85 -1.99 -0.32 115.31 117.16 3a12 h LEU 234 Ca -0.46 0.19 0.09 0.00 0.84 0.00 0.00 57.88 58.54 3a12 h LEU 234 Cb 1.27 0.57 -0.07 0.00 0.37 0.00 0.00 40.66 42.80 3a12 h LEU 234 CO 0.48 -0.40 0.41 -0.07 -0.34 0.00 0.00 178.44 178.52 3a12 h LEU 235 N -0.42 0.57 -1.07 2.25 3.38 -2.00 -0.62 115.31 117.40 3a12 h LEU 235 Ca 0.10 0.05 -0.06 0.00 0.09 0.00 0.00 57.88 58.06 3a12 h LEU 235 Cb 0.60 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 3a12 h LEU 235 CO -0.47 0.33 -0.04 -0.33 0.09 0.00 0.00 178.44 178.02 3a12 h GLU 236 N 0.70 0.61 -0.61 1.13 3.07 -1.66 -1.90 114.58 115.92 3a12 h GLU 236 Ca 0.36 -0.16 -0.08 0.00 -0.50 0.00 0.00 59.36 58.98 3a12 h GLU 236 Cb 0.33 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.14 3a12 h GLU 236 CO -0.24 0.66 0.06 0.52 -1.40 0.00 0.00 179.01 178.61 3a12 h MET 237 N 0.57 1.03 -0.45 2.33 2.86 0.35 -1.66 114.93 119.96 3a12 h MET 237 Ca 0.11 -0.28 -0.02 0.00 -2.06 0.00 0.00 59.70 57.45 3a12 h MET 237 Cb 0.43 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.95 3a12 h MET 237 CO 0.02 0.97 0.21 0.93 1.06 0.00 0.00 176.91 180.09 3a12 h GLU 238 N 0.95 0.66 -0.76 1.72 5.08 -0.90 -0.84 114.58 120.50 3a12 h GLU 238 Ca 0.18 -0.10 0.01 0.00 -1.00 0.00 0.00 59.36 58.45 3a12 h GLU 238 Cb 0.46 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.56 3a12 h GLU 238 CO 0.02 0.57 0.50 1.96 -1.00 0.00 0.00 179.01 181.06 3a12 h GLN 239 N 0.59 1.00 -0.14 2.33 4.20 -1.15 -1.64 115.11 120.29 3a12 h GLN 239 Ca 0.15 -0.06 -0.17 0.00 0.06 0.00 0.00 58.65 58.63 3a12 h GLN 239 Cb 0.14 -0.22 -0.00 0.00 0.30 0.00 0.00 27.48 27.69 3a12 h GLN 239 CO -0.02 0.67 -0.62 0.00 -0.67 0.00 0.00 178.83 178.19 3a12 h ARG 240 N 1.03 0.51 -0.81 1.46 3.08 -0.95 -1.04 114.38 117.67 3a12 h ARG 240 Ca 0.28 -0.36 0.02 0.00 0.07 0.00 0.00 59.98 59.99 3a12 h ARG 240 Cb -0.11 0.06 -0.04 0.00 0.08 0.00 0.00 29.97 29.95 3a12 h ARG 240 CO -0.06 0.97 0.52 -0.07 -1.07 0.00 0.00 179.97 180.27 3a12 h LEU 241 N 0.38 0.89 -0.72 3.04 3.38 -1.02 -1.96 115.31 119.30 3a12 h LEU 241 Ca -0.01 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 3a12 h LEU 241 Cb 1.18 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.69 3a12 h LEU 241 CO 0.11 0.63 0.20 -0.08 0.09 0.00 0.00 178.44 179.39 3a12 h GLU 242 N 1.04 1.13 -0.47 1.13 4.81 -0.80 -1.13 114.58 120.30 3a12 h GLU 242 Ca 0.31 -0.26 0.02 0.00 -0.13 0.00 0.00 59.36 59.30 3a12 h GLU 242 Cb -0.05 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.14 3a12 h GLU 242 CO -0.09 0.98 0.28 0.28 -0.73 0.00 0.00 179.01 179.73 3a12 h VAL 243 N 1.07 1.05 -0.66 0.32 2.07 -0.93 0.90 116.25 120.06 3a12 h VAL 243 Ca 0.23 -0.19 0.01 0.00 0.82 0.00 0.00 66.70 67.57 3a12 h VAL 243 Cb 0.34 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 3a12 h VAL 243 CO -0.00 0.10 0.43 -0.07 0.02 0.00 0.00 177.57 178.05 3a12 h LEU 244 N 0.56 0.74 -0.33 2.57 3.38 -0.99 -2.03 115.31 119.20 3a12 h LEU 244 Ca 0.19 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.07 3a12 h LEU 244 Cb 0.02 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 3a12 h LEU 244 CO -0.09 0.53 -0.07 0.00 0.09 0.00 0.00 178.44 178.90 3a12 h ALA 245 N 1.25 0.46 0.00 1.53 0.00 -0.66 -1.33 119.26 120.51 3a12 h ALA 245 Ca 0.25 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3a12 h ALA 245 Cb -0.08 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3a12 h ALA 245 CO -0.06 0.29 -0.17 -0.44 0.00 0.00 0.00 179.25 178.86 3a12 h ASP 246 N 0.42 0.00 -0.03 0.00 3.32 -0.67 -2.12 116.42 117.35 3a12 h ASP 246 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 3a12 h ASP 246 Cb 0.56 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.11 3a12 h ASP 246 CO 0.03 0.17 0.00 0.18 -1.72 0.00 0.00 179.24 177.90 3a12 n LEU 247 N -3.93 1.67 -0.68 1.55 4.77 -0.78 -4.93 117.00 114.68 3a12 n LEU 247 Ca -0.02 -0.57 -0.09 0.00 -0.03 0.00 0.00 56.01 55.31 3a12 n LEU 247 Cb 0.26 -0.01 -0.04 0.00 -2.33 0.00 0.00 43.42 41.31 3a12 n LEU 247 CO 0.33 0.28 -0.08 0.61 -1.33 0.00 0.00 177.39 177.20 3a12 n GLY 248 N 1.19 1.01 3.76 -0.72 0.00 -0.80 -4.94 105.19 104.69 3a12 n GLY 248 Ca 0.18 -0.64 -0.29 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.01 1.93 0.00 0.99 1.43 -0.53 -5.03 118.68 115.46 3a12 s LEU 249 Ca 0.00 1.03 0.00 0.00 -1.03 0.00 0.00 54.13 54.13 3a12 s LEU 249 Cb 0.00 -3.33 0.00 0.00 0.03 0.00 0.00 46.19 42.89 3a12 s LEU 249 CO 0.00 -2.67 0.00 0.29 0.23 0.00 0.00 176.35 174.20 3a12 n LYS 250 N -3.85 2.52 -4.16 1.70 5.02 -1.26 -4.76 118.16 113.36 3a12 n LYS 250 Ca 0.06 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.19 3a12 n LYS 250 Cb 0.59 -0.82 -0.12 0.00 -0.02 0.00 0.00 35.03 34.66 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 -1.64 1.10 -0.01 2.13 3.76 -1.26 -1.49 115.29 117.89 3a12 s HIS 251 Ca 0.00 -0.51 0.02 0.00 -0.15 0.00 0.00 55.06 54.43 3a12 s HIS 251 Cb 0.00 -0.62 -0.00 0.00 1.11 0.00 0.00 32.58 33.07 3a12 s HIS 251 CO 0.00 0.03 -0.08 0.00 -0.85 0.00 0.00 174.74 173.83 3a12 s ALA 252 N -1.55 0.74 -0.10 -1.40 0.00 -0.15 -4.09 121.76 115.20 3a12 s ALA 252 Ca -0.02 -0.34 -0.02 0.00 0.00 0.00 0.00 51.96 51.59 3a12 s ALA 252 Cb -0.08 -0.23 -0.03 0.00 0.00 0.00 0.00 23.12 22.78 3a12 s ALA 252 CO 0.02 0.15 -0.02 1.41 0.00 0.00 0.00 175.76 177.32 3a12 s MET 253 N -0.03 3.11 -0.03 0.00 0.00 0.73 -0.34 119.30 122.73 3a12 s MET 253 Ca 0.01 -0.47 0.02 0.00 0.00 0.00 0.00 55.69 55.25 3a12 s MET 253 Cb -0.05 -2.78 0.01 0.00 0.00 0.00 0.00 34.83 32.01 3a12 s MET 253 CO -0.00 0.58 -0.08 0.08 0.00 0.00 0.00 175.02 175.59 3a12 s VAL 254 N -0.54 0.75 -0.86 10.11 1.01 -0.50 -1.52 120.40 128.85 3a12 s VAL 254 Ca 0.09 -0.31 -0.25 0.00 0.00 0.00 0.00 61.98 61.50 3a12 s VAL 254 Cb -0.12 -0.69 0.04 0.00 0.00 0.00 0.00 36.38 35.61 3a12 s VAL 254 CO 0.02 0.25 1.33 -1.81 0.00 0.00 0.00 175.10 174.89 3a12 s ASP 255 N 0.40 6.32 0.16 3.32 1.01 -1.26 -0.54 116.67 126.08 3a12 s ASP 255 Ca -0.06 -0.94 -0.07 0.00 0.71 0.00 0.00 52.55 52.19 3a12 s ASP 255 Cb -0.11 -2.55 0.02 0.00 1.01 0.00 0.00 42.92 41.29 3a12 s ASP 255 CO 0.01 -1.66 1.47 -0.37 0.21 0.00 0.00 175.17 174.82 3a12 h VAL 256 N 6.34 1.30 -0.21 -1.27 -1.51 -1.31 0.87 116.25 120.47 3a12 h VAL 256 Ca -0.07 -1.74 -0.07 0.00 -1.23 0.00 0.00 66.70 63.60 3a12 h VAL 256 Cb 1.03 1.66 -0.00 0.00 -2.13 0.00 0.00 31.29 31.85 3a12 h VAL 256 CO 1.33 0.55 -0.13 0.58 -1.23 0.00 0.00 177.57 178.67 3a12 h VAL 257 N 0.56 1.32 -0.30 7.19 2.07 -1.80 -1.22 116.25 124.06 3a12 h VAL 257 Ca 0.02 -1.24 -0.02 0.00 0.82 0.00 0.00 66.70 66.28 3a12 h VAL 257 Cb 1.10 1.68 -0.01 0.00 -1.52 0.00 0.00 31.29 32.54 3a12 h VAL 257 CO 0.11 0.38 0.10 0.40 0.02 0.00 0.00 177.57 178.57 3a12 h ILE 258 N 0.14 1.20 -0.47 4.57 2.04 -1.71 -2.98 117.51 120.30 3a12 h ILE 258 Ca 0.04 -0.64 0.09 0.00 1.00 0.00 0.00 64.86 65.34 3a12 h ILE 258 Cb 0.65 1.06 -0.07 0.00 -0.74 0.00 0.00 36.82 37.71 3a12 h ILE 258 CO 0.04 0.22 0.04 0.74 0.00 0.00 0.00 178.15 179.19 3a12 h THR 259 N 0.33 0.68 0.00 -0.27 2.02 -0.79 -3.48 112.91 111.40 3a12 h THR 259 Ca 0.10 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.22 3a12 h THR 259 Cb 0.24 0.50 0.00 0.00 -1.74 0.00 0.00 68.15 67.15 3a12 h THR 259 CO -0.00 0.03 0.00 0.61 0.37 0.00 0.00 175.52 176.53 3a12 n GLY 260 N -1.29 0.31 0.17 2.16 0.00 -0.47 -4.66 105.19 101.40 3a12 n GLY 260 Ca 0.05 -1.81 -0.02 0.00 0.00 0.00 0.00 46.02 44.24 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 0.14 -0.59 1.61 4.06 -1.88 -3.08 115.95 116.20 3a12 h TRP 261 Ca 0.00 -0.05 -0.03 0.00 2.06 0.00 0.00 58.89 60.87 3a12 h TRP 261 Cb 0.00 -0.03 -0.03 0.00 -1.00 0.00 0.00 29.16 28.10 3a12 h TRP 261 CO 0.00 0.62 0.24 0.78 -3.56 0.00 0.00 178.44 176.52 3a12 h GLY 262 N 1.50 0.93 0.00 1.49 0.00 -1.99 -3.22 103.07 101.77 3a12 h GLY 262 Ca -0.00 -0.47 0.00 0.00 0.00 0.00 0.00 47.33 46.86 3a12 h GLY 262 CO 0.08 0.44 -1.07 0.00 0.00 0.00 0.00 176.54 175.99 3a12 n ALA 263 N -2.45 3.74 -0.32 3.60 0.00 -1.24 -4.72 120.51 119.12 3a12 n ALA 263 Ca 0.05 -0.45 -0.04 0.00 0.00 0.00 0.00 53.44 53.00 3a12 n ALA 263 Cb 0.16 -0.60 0.08 0.00 0.00 0.00 0.00 19.45 19.10 3a12 n ALA 263 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3a12 h LEU 264 N 0.00 0.99 -0.57 0.00 5.85 -1.54 -1.38 115.31 118.65 3a12 h LEU 264 Ca 0.00 -0.03 -0.14 0.00 0.84 0.00 0.00 57.88 58.55 3a12 h LEU 264 Cb 0.50 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 3a12 h LEU 264 CO 0.00 0.73 -0.34 -0.09 -0.34 0.00 0.00 178.44 178.40 3a12 h ARG 265 N 1.17 0.77 -0.44 1.25 2.43 -1.85 -0.79 114.38 116.93 3a12 h ARG 265 Ca 0.31 -0.37 -0.02 0.00 -0.81 0.00 0.00 59.98 59.09 3a12 h ARG 265 Cb -0.12 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.40 3a12 h ARG 265 CO -0.07 1.00 0.20 -0.92 -1.51 0.00 0.00 179.97 178.67 3a12 h TYR 266 N 0.65 0.64 -0.83 2.20 3.20 -1.77 0.11 116.97 121.16 3a12 h TYR 266 Ca 0.07 -0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.87 3a12 h TYR 266 Cb 0.88 -0.20 -0.04 0.00 1.54 0.00 0.00 36.73 38.92 3a12 h TYR 266 CO 0.05 0.53 0.39 0.82 -1.64 0.00 0.00 178.16 178.30 3a12 h ILE 267 N 0.57 1.26 -0.26 1.81 1.08 -1.03 0.54 117.51 121.47 3a12 h ILE 267 Ca 0.15 -0.74 -0.05 0.00 -0.39 0.00 0.00 64.86 63.83 3a12 h ILE 267 Cb 0.13 0.21 -0.01 0.00 -3.07 0.00 0.00 36.82 34.08 3a12 h ILE 267 CO -0.02 0.31 -0.04 -0.09 -0.69 0.00 0.00 178.15 177.63 3a12 h ARG 268 N 1.18 0.48 -0.65 2.37 1.12 -0.92 0.05 114.38 118.01 3a12 h ARG 268 Ca 0.28 -0.17 -0.03 0.00 -1.11 0.00 0.00 59.98 58.95 3a12 h ARG 268 Cb 0.13 -0.03 -0.03 0.00 -0.01 0.00 0.00 29.97 30.03 3a12 h ARG 268 CO -0.03 0.68 0.28 -0.44 -3.11 0.00 0.00 179.97 177.35 3a12 h ASP 269 N 0.24 0.87 -0.33 -3.80 3.32 -0.56 -0.34 116.42 115.83 3a12 h ASP 269 Ca 0.07 -0.15 -0.00 0.00 0.02 0.00 0.00 57.03 56.96 3a12 h ASP 269 Cb 0.49 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 3a12 h ASP 269 CO 0.02 0.79 0.19 0.25 -1.72 0.00 0.00 179.24 178.77 3a12 h LEU 270 N 0.90 0.41 -1.14 1.55 5.85 -0.78 -1.12 115.31 120.97 3a12 h LEU 270 Ca 0.22 -0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.88 3a12 h LEU 270 Cb 0.17 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.05 3a12 h LEU 270 CO -0.02 0.36 0.58 0.00 -0.34 0.00 0.00 178.44 179.02 3a12 h ALA 271 N 1.06 1.38 -0.34 1.25 0.00 -0.73 -2.13 119.26 119.76 3a12 h ALA 271 Ca 0.12 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3a12 h ALA 271 Cb 0.04 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 3a12 h ALA 271 CO -0.02 0.57 0.12 0.00 0.00 0.00 0.00 179.25 179.91 3a12 h ALA 272 N 1.46 0.44 -0.60 0.00 0.00 -0.69 0.19 119.26 120.06 3a12 h ALA 272 Ca 0.32 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.10 3a12 h ALA 272 Cb -0.12 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 3a12 h ALA 272 CO -0.07 0.07 0.40 -0.44 0.00 0.00 0.00 179.25 179.21 3a12 h ASP 273 N 0.40 0.66 0.46 0.00 3.32 -0.85 -0.51 116.42 119.90 3a12 h ASP 273 Ca 0.11 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.15 3a12 h ASP 273 Cb 0.23 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.62 3a12 h ASP 273 CO -0.01 0.47 -0.05 -1.22 -1.72 0.00 0.00 179.24 176.71 3a12 n TYR 274 N -4.45 0.00 -2.08 4.55 4.01 -0.83 -4.93 117.16 113.43 3a12 n TYR 274 Ca 0.06 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.75 3a12 n TYR 274 Cb 0.08 -0.23 -0.00 0.00 -0.31 0.00 0.00 39.34 38.87 3a12 n TYR 274 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3a12 n GLY 275 N 1.28 0.15 3.59 2.72 0.00 -0.20 -4.91 105.19 107.82 3a12 n GLY 275 Ca 0.15 -0.64 -0.35 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.69 3.71 0.44 0.99 1.43 0.58 -4.89 118.68 119.25 3a12 s LEU 276 Ca 0.00 0.02 -0.23 0.00 -1.03 0.00 0.00 54.13 52.89 3a12 s LEU 276 Cb 0.00 -1.95 -0.08 0.00 0.03 0.00 0.00 46.19 44.19 3a12 s LEU 276 CO 0.00 0.14 1.07 0.00 0.23 0.00 0.00 176.35 177.79 3a12 s ALA 277 N 0.60 2.99 -0.20 4.21 0.00 -0.55 -4.30 121.76 124.50 3a12 s ALA 277 Ca 0.03 0.72 -0.05 0.00 0.00 0.00 0.00 51.96 52.66 3a12 s ALA 277 Cb -0.13 -3.29 -0.02 0.00 0.00 0.00 0.00 23.12 19.68 3a12 s ALA 277 CO 0.01 -0.34 -0.01 0.42 0.00 0.00 0.00 175.76 175.84 3a12 s ILE 278 N -1.73 3.77 -0.29 0.00 1.01 -1.26 -0.98 121.20 121.71 3a12 s ILE 278 Ca 0.62 -0.37 -0.16 0.00 0.00 0.00 0.00 60.65 60.74 3a12 s ILE 278 Cb -0.22 -2.70 -0.03 0.00 0.01 0.00 0.00 42.46 39.52 3a12 s ILE 278 CO 0.27 0.43 0.42 -2.28 0.00 0.00 0.00 174.94 173.77 3a12 s HIS 279 N 1.12 3.23 -0.29 3.97 2.46 0.54 -1.84 115.29 124.47 3a12 s HIS 279 Ca 0.02 0.37 -0.13 0.00 0.47 0.00 0.00 55.06 55.79 3a12 s HIS 279 Cb -0.14 -2.67 -0.04 0.00 -0.13 0.00 0.00 32.58 29.60 3a12 s HIS 279 CO 0.01 -0.31 0.28 0.20 -2.47 0.00 0.00 174.74 172.44 3a12 s GLY 280 N 1.65 1.91 -0.15 1.59 0.00 0.23 -1.41 107.32 111.14 3a12 s GLY 280 Ca 0.16 -1.05 -0.07 0.00 0.00 0.00 0.00 44.72 43.76 3a12 s GLY 280 CO 0.11 0.82 0.08 -1.58 0.00 0.00 0.00 173.10 172.52 3a12 s HIS 281 N 1.89 3.35 -0.25 1.90 2.46 0.30 -2.99 115.29 121.95 3a12 s HIS 281 Ca 0.10 0.26 0.13 0.00 0.47 0.00 0.00 55.06 56.02 3a12 s HIS 281 Cb -0.16 -2.00 0.72 0.00 -0.13 0.00 0.00 32.58 31.01 3a12 s HIS 281 CO 0.11 0.39 1.68 2.89 -2.47 0.00 0.00 174.74 177.34 3a12 n ARG 282 N 2.85 3.95 -1.53 2.88 1.85 -1.26 -0.80 116.66 124.61 3a12 n ARG 282 Ca -0.18 -3.07 -0.51 0.00 -1.00 0.00 0.00 57.85 53.09 3a12 n ARG 282 Cb 0.53 -2.13 -0.05 0.00 -1.05 0.00 0.00 32.46 29.76 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 0.04 -1.81 -0.15 2.89 0.00 -1.26 -1.06 120.51 119.16 3a12 n ALA 283 Ca 0.30 0.49 0.00 0.00 0.00 0.00 0.00 53.44 54.23 3a12 n ALA 283 Cb 1.17 -1.89 0.00 0.00 0.00 0.00 0.00 19.45 18.74 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 1.53 0.00 -0.13 0.00 0.00 -1.26 -4.18 117.12 113.08 3a12 n MET 284 Ca 0.17 0.00 0.01 0.00 -0.00 0.00 0.00 57.70 57.88 3a12 n MET 284 Cb 0.21 -0.98 0.30 0.00 0.00 0.00 0.00 33.22 32.75 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 0.77 0.00 1.12 -0.00 -1.51 -2.87 115.15 112.67 3a12 h HIS 285 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 3a12 h HIS 285 Cb 0.00 -0.26 0.00 0.00 -0.00 0.00 0.00 27.41 27.15 3a12 h HIS 285 CO 0.00 0.52 0.00 0.00 -0.00 0.00 0.00 177.93 178.45 3a12 h ALA 286 N 1.58 1.00 -0.12 6.11 0.00 -1.92 0.11 119.26 126.01 3a12 h ALA 286 Ca 0.21 0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.16 3a12 h ALA 286 Cb -0.03 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 3a12 h ALA 286 CO -0.04 0.00 0.10 0.00 0.00 0.00 0.00 179.25 179.30 3a12 h ALA 287 N 2.05 2.02 0.00 0.00 0.00 -1.92 -3.25 119.26 118.16 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 0.16 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3a12 h ALA 287 CO 0.00 -0.16 0.00 1.97 0.00 0.00 0.00 179.25 181.06 3a12 n PHE 288 N -4.35 0.00 1.03 0.00 1.16 -0.25 -4.80 117.46 110.26 3a12 n PHE 288 Ca -0.00 0.00 0.11 0.00 -1.87 0.00 0.00 57.45 55.69 3a12 n PHE 288 Cb 0.21 0.00 0.07 0.00 -1.61 0.00 0.00 39.48 38.16 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 -0.35 0.00 0.09 1.97 -2.24 0.22 -1.50 114.28 112.47 3a12 n THR 289 Ca 0.00 -0.06 -0.23 0.00 -2.27 0.00 0.00 64.05 61.48 3a12 n THR 289 Cb 0.02 0.75 -0.15 0.00 -2.10 0.00 0.00 70.33 68.85 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 0.60 0.42 -6.46 -0.78 2.43 -1.79 -3.41 114.38 105.39 3a12 h ARG 290 Ca 0.00 -0.72 -0.57 0.00 -0.81 0.00 0.00 59.98 57.88 3a12 h ARG 290 Cb 0.55 0.27 -0.05 0.00 -0.42 0.00 0.00 29.97 30.32 3a12 h ARG 290 CO 0.00 1.35 1.13 1.21 -1.51 0.00 0.00 179.97 182.14 3a12 s ASN 291 N -7.34 6.21 0.00 -3.80 3.84 -1.26 -4.88 114.94 107.71 3a12 s ASN 291 Ca -0.14 0.92 0.09 0.00 0.21 0.00 0.00 52.86 53.94 3a12 s ASN 291 Cb 0.05 -2.54 0.38 0.00 -0.55 0.00 0.00 41.25 38.59 3a12 s ASN 291 CO 0.87 -1.52 1.28 -2.65 -2.79 0.00 0.00 177.10 172.29 3a12 n PRO 292 N 8.20 0.00 0.00 0.43 -0.02 -1.26 -1.59 135.00 140.76 3a12 n PRO 292 Ca 0.18 0.34 0.04 0.00 -2.02 0.00 0.00 63.50 62.05 3a12 n PRO 292 Cb 0.48 -1.50 0.03 0.00 -0.02 0.00 0.00 33.50 32.49 3a12 n PRO 292 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3a12 n TYR 293 N -1.50 0.00 -3.64 6.00 4.01 -1.26 -4.89 117.16 115.89 3a12 n TYR 293 Ca 0.02 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.68 3a12 n TYR 293 Cb 0.10 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.06 3a12 n TYR 293 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 3a12 s HIS 294 N -0.82 -0.71 -0.53 -0.72 2.46 -0.62 -2.64 115.29 111.70 3a12 s HIS 294 Ca 0.10 1.55 0.00 0.00 0.47 0.00 0.00 55.06 57.18 3a12 s HIS 294 Cb 0.07 0.41 0.00 0.00 -0.13 0.00 0.00 32.58 32.93 3a12 s HIS 294 CO 0.13 -0.35 0.00 0.41 -2.47 0.00 0.00 174.74 172.46 3a12 n GLY 295 N 3.24 0.29 2.97 1.59 0.00 -0.68 -4.16 105.19 108.45 3a12 n GLY 295 Ca -0.16 -1.97 -0.23 0.00 0.00 0.00 0.00 46.02 43.65 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 -0.50 0.93 0.46 -0.61 1.01 -0.56 -1.22 121.20 120.70 3a12 s ILE 296 Ca 0.00 -0.34 -0.24 0.00 0.00 0.00 0.00 60.65 60.07 3a12 s ILE 296 Cb 0.00 -0.88 -0.07 0.00 0.01 0.00 0.00 42.46 41.51 3a12 s ILE 296 CO 0.00 0.31 1.30 -0.55 0.00 0.00 0.00 174.94 176.00 3a12 s SER 297 N 0.86 5.98 0.59 3.58 0.15 -0.04 -3.77 113.70 121.05 3a12 s SER 297 Ca -0.11 2.63 0.29 0.00 0.70 0.00 0.00 55.95 59.46 3a12 s SER 297 Cb -0.15 -2.63 1.75 0.00 -1.71 0.00 0.00 66.02 63.28 3a12 s SER 297 CO 0.01 -1.08 2.18 -0.03 1.20 0.00 0.00 173.24 175.53 3a12 h MET 298 N 2.19 0.00 -0.42 5.44 4.05 -1.91 -1.58 114.93 122.70 3a12 h MET 298 Ca -0.50 0.00 0.01 0.00 -0.28 0.00 0.00 59.70 58.93 3a12 h MET 298 Cb 1.26 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 32.04 3a12 h MET 298 CO 0.61 0.00 0.28 0.35 0.23 0.00 0.00 176.91 178.37 3a12 h PHE 299 N 0.00 0.52 -0.09 1.39 3.57 -1.90 0.14 116.94 120.57 3a12 h PHE 299 Ca 0.04 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.56 3a12 h PHE 299 Cb 0.24 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 38.80 3a12 h PHE 299 CO 0.00 0.32 0.06 0.28 -2.23 0.00 0.00 178.31 176.75 3a12 h VAL 300 N 0.56 1.02 -0.23 1.41 2.07 -1.49 -2.04 116.25 117.56 3a12 h VAL 300 Ca 0.16 -0.04 0.04 0.00 0.82 0.00 0.00 66.70 67.67 3a12 h VAL 300 Cb -0.05 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 30.57 3a12 h VAL 300 CO -0.04 0.02 -0.03 -0.07 0.02 0.00 0.00 177.57 177.48 3a12 h LEU 301 N 0.12 -0.15 -0.52 2.57 4.07 -1.32 -0.36 115.31 119.73 3a12 h LEU 301 Ca 0.03 0.06 0.09 0.00 0.08 0.00 0.00 57.88 58.14 3a12 h LEU 301 Cb -0.01 0.11 -0.07 0.00 1.08 0.00 0.00 40.66 41.77 3a12 h LEU 301 CO -0.01 -0.05 0.11 0.00 -1.08 0.00 0.00 178.44 177.42 3a12 h ALA 302 N 1.21 0.59 0.01 1.53 0.00 -0.51 0.16 119.26 122.24 3a12 h ALA 302 Ca 0.11 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 3a12 h ALA 302 Cb 0.15 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3a12 h ALA 302 CO -0.21 -0.30 -0.00 -0.22 0.00 0.00 0.00 179.25 178.52 3a12 h LYS 303 N 0.25 -0.01 -0.62 0.00 3.64 -0.93 -1.93 116.57 116.97 3a12 h LYS 303 Ca 0.26 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.62 3a12 h LYS 303 Cb 0.35 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.15 3a12 h LYS 303 CO -0.33 0.05 0.29 -0.07 -2.27 0.00 0.00 179.45 177.11 3a12 h LEU 304 N -0.07 0.82 -1.04 5.20 3.38 -0.41 -1.58 115.31 121.62 3a12 h LEU 304 Ca -0.00 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 57.74 3a12 h LEU 304 Cb 0.06 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 3a12 h LEU 304 CO 0.00 0.73 -0.32 1.88 0.09 0.00 0.00 178.44 180.82 3a12 h TYR 305 N 0.85 0.32 -0.05 1.13 0.05 -0.96 -1.17 116.97 117.15 3a12 h TYR 305 Ca 0.21 -0.07 -0.00 0.00 0.05 0.00 0.00 58.73 58.92 3a12 h TYR 305 Cb 0.13 -0.08 -0.00 0.00 1.01 0.00 0.00 36.73 37.79 3a12 h TYR 305 CO 0.00 0.58 0.03 -0.09 -1.05 0.00 0.00 178.16 177.63 3a12 h ARG 306 N 0.25 0.07 -0.40 4.88 2.43 -1.04 0.55 114.38 121.12 3a12 h ARG 306 Ca 0.03 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.23 3a12 h ARG 306 Cb 0.70 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.20 3a12 h ARG 306 CO 0.05 0.14 0.19 -0.07 -1.51 0.00 0.00 179.97 178.77 3a12 h LEU 307 N -0.02 0.27 -0.74 3.80 3.38 -0.77 -1.95 115.31 119.29 3a12 h LEU 307 Ca 0.02 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 3a12 h LEU 307 Cb 0.09 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 3a12 h LEU 307 CO -0.00 0.20 0.36 0.40 0.09 0.00 0.00 178.44 179.49 3a12 h ILE 308 N 0.39 1.24 0.00 1.22 2.04 -1.20 0.22 117.51 121.42 3a12 h ILE 308 Ca 0.17 -0.65 0.00 0.00 1.00 0.00 0.00 64.86 65.38 3a12 h ILE 308 Cb 0.08 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 36.47 3a12 h ILE 308 CO -0.12 0.28 0.00 0.61 0.00 0.00 0.00 178.15 178.91 3a12 n GLY 309 N -0.99 1.26 3.72 5.37 0.00 -0.22 -4.05 105.19 110.26 3a12 n GLY 309 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 3a12 n GLY 309 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a12 s ILE 310 N -1.74 3.79 -0.04 -0.61 -1.09 0.02 -4.26 121.20 117.28 3a12 s ILE 310 Ca 0.00 1.33 0.12 0.00 -2.23 0.00 0.00 60.65 59.87 3a12 s ILE 310 Cb 0.00 -3.85 -0.13 0.00 -1.58 0.00 0.00 42.46 36.90 3a12 s ILE 310 CO 0.00 0.13 1.10 0.44 -1.23 0.00 0.00 174.94 175.38 3a12 h ASP 311 N 6.48 0.00 -3.53 3.58 3.32 -1.70 -3.43 116.42 121.15 3a12 h ASP 311 Ca -0.42 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.38 3a12 h ASP 311 Cb 1.21 0.00 -0.31 0.00 0.22 0.00 0.00 39.33 40.45 3a12 h ASP 311 CO 0.81 0.78 -0.63 -1.10 -1.72 0.00 0.00 179.24 177.38 3a12 s GLN 312 N -2.80 0.07 -0.03 3.56 -0.21 -0.84 0.01 119.66 119.42 3a12 s GLN 312 Ca -0.00 0.28 -0.02 0.00 0.02 0.00 0.00 55.36 55.64 3a12 s GLN 312 Cb 0.09 -0.14 0.01 0.00 1.00 0.00 0.00 33.01 33.97 3a12 s GLN 312 CO 0.80 -0.13 0.06 -1.17 -2.12 0.00 0.00 175.29 172.73 3a12 s LEU 313 N 0.90 1.53 0.09 2.90 2.96 0.41 0.74 118.68 128.21 3a12 s LEU 313 Ca -0.07 0.12 -0.31 0.00 -0.22 0.00 0.00 54.13 53.65 3a12 s LEU 313 Cb -0.09 0.16 -0.07 0.00 0.50 0.00 0.00 46.19 46.68 3a12 s LEU 313 CO -0.04 -0.06 1.30 -1.00 -1.32 0.00 0.00 176.35 175.24 3a12 s HIS 314 N 0.37 3.33 0.00 5.38 3.76 -1.16 0.22 115.29 127.19 3a12 s HIS 314 Ca -0.03 1.12 0.00 0.00 -0.15 0.00 0.00 55.06 56.00 3a12 s HIS 314 Cb -0.04 -3.56 0.00 0.00 1.11 0.00 0.00 32.58 30.09 3a12 s HIS 314 CO -0.01 -1.87 0.00 1.33 -0.85 0.00 0.00 174.74 173.34 3a12 n VAL 315 N 3.90 0.00 0.00 -0.90 0.24 -0.75 -4.83 118.33 116.00 3a12 n VAL 315 Ca 0.10 -0.22 0.00 0.00 -2.04 0.00 0.00 64.34 62.19 3a12 n VAL 315 Cb 0.44 0.76 0.00 0.00 -1.47 0.00 0.00 33.84 33.57 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 1.05 1.23 0.05 7.63 0.00 -1.24 -4.75 105.19 109.16 3a12 n GLY 316 Ca 0.00 -2.25 0.06 0.00 0.00 0.00 0.00 46.02 43.83 3a12 n GLY 316 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3a12 n THR 317 N -1.12 0.00 -2.19 2.61 -2.24 -1.26 -4.27 114.28 105.80 3a12 n THR 317 Ca 0.00 -0.24 -0.04 0.00 -2.27 0.00 0.00 64.05 61.50 3a12 n THR 317 Cb 0.00 1.03 0.00 0.00 -2.10 0.00 0.00 70.33 69.26 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 -1.09 -0.12 0.00 6.98 0.00 -1.26 -3.54 120.51 121.48 3a12 n ALA 318 Ca 0.03 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.50 3a12 n ALA 318 Cb 0.20 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 18.76 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 -0.95 2.52 0.23 0.00 0.00 -1.13 -4.01 105.19 101.85 3a12 n GLY 319 Ca -0.03 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.06 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 1.46 -4.90 4.61 0.00 -1.90 -3.46 119.26 115.06 3a12 h ALA 320 Ca 0.00 -0.20 -0.23 0.00 0.00 0.00 0.00 54.91 54.49 3a12 h ALA 320 Cb 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3a12 h ALA 320 CO 0.00 0.27 -0.08 0.41 0.00 0.00 0.00 179.25 179.85 3a12 n GLY 321 N -0.72 2.55 0.00 0.00 0.00 -1.26 -4.43 105.19 101.33 3a12 n GLY 321 Ca -0.02 -2.20 0.13 0.00 0.00 0.00 0.00 46.02 43.92 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 -1.23 0.13 -4.49 1.61 2.85 -0.79 -4.77 118.16 111.47 3a12 n LYS 322 Ca 0.02 0.05 -0.32 0.00 -1.05 0.00 0.00 58.31 57.01 3a12 n LYS 322 Cb 0.26 -1.50 -0.11 0.00 -0.65 0.00 0.00 35.03 33.03 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 -2.85 3.10 0.76 -5.58 1.43 -1.26 -4.82 118.68 109.46 3a12 s LEU 323 Ca 0.17 -0.18 -0.14 0.00 -1.03 0.00 0.00 54.13 52.95 3a12 s LEU 323 Cb 0.17 -1.78 0.06 0.00 0.03 0.00 0.00 46.19 44.67 3a12 s LEU 323 CO 0.45 0.28 1.18 -0.70 0.23 0.00 0.00 176.35 177.79 3a12 s GLU 324 N -1.41 1.98 0.00 1.70 -6.30 -1.26 -4.78 118.70 108.63 3a12 s GLU 324 Ca 0.17 1.66 0.00 0.00 -2.50 0.00 0.00 54.97 54.30 3a12 s GLU 324 Cb -0.11 -1.83 0.00 0.00 0.00 0.00 0.00 34.13 32.19 3a12 s GLU 324 CO 0.07 -1.93 0.00 0.41 0.02 0.00 0.00 175.26 173.83 3a12 n GLY 325 N 0.20 3.19 3.78 -1.50 0.00 -1.26 -4.89 105.19 104.70 3a12 n GLY 325 Ca 0.13 -0.14 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 3a12 n GLY 325 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3a12 s GLY 326 N 0.00 2.72 0.15 -0.02 0.00 -1.26 -2.81 107.32 106.09 3a12 s GLY 326 Ca 0.00 0.77 -0.20 0.00 0.00 0.00 0.00 44.72 45.29 3a12 s GLY 326 CO 0.00 1.19 1.67 1.70 0.00 0.00 0.00 173.10 177.66 3a12 h LYS 327 N 2.22 -0.11 -0.53 2.90 3.64 -1.98 -1.19 116.57 121.53 3a12 h LYS 327 Ca -0.49 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 58.84 3a12 h LYS 327 Cb 1.23 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 33.05 3a12 h LYS 327 CO 0.61 -0.07 0.08 2.35 -2.27 0.00 0.00 179.45 180.15 3a12 h TRP 328 N -0.11 0.93 -0.27 1.91 7.01 -1.93 -2.10 115.95 121.39 3a12 h TRP 328 Ca 0.14 -0.13 0.02 0.00 2.11 0.00 0.00 58.89 61.02 3a12 h TRP 328 Cb 0.31 -0.25 -0.02 0.00 -2.10 0.00 0.00 29.16 27.10 3a12 h TRP 328 CO -0.31 0.84 0.13 -0.44 -2.79 0.00 0.00 178.44 175.86 3a12 h ASP 329 N 0.76 0.18 0.55 2.65 3.32 -1.88 -1.64 116.42 120.35 3a12 h ASP 329 Ca 0.16 0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.15 3a12 h ASP 329 Cb 0.41 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 3a12 h ASP 329 CO 0.01 0.14 -0.34 0.58 -1.72 0.00 0.00 179.24 177.91 3a12 h VAL 330 N 0.27 1.01 -0.55 -1.35 2.07 -1.14 -0.99 116.25 115.56 3a12 h VAL 330 Ca 0.11 -1.26 -0.07 0.00 0.82 0.00 0.00 66.70 66.30 3a12 h VAL 330 Cb 0.04 1.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 3a12 h VAL 330 CO -0.08 0.33 0.06 0.40 0.02 0.00 0.00 177.57 178.30 3a12 h ILE 331 N 0.00 1.26 -0.53 4.57 2.04 -0.93 -1.75 117.51 122.16 3a12 h ILE 331 Ca -0.00 -1.02 -0.08 0.00 1.00 0.00 0.00 64.86 64.76 3a12 h ILE 331 Cb 0.70 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 3a12 h ILE 331 CO 0.04 0.37 0.03 1.56 0.00 0.00 0.00 178.15 180.15 3a12 h GLN 332 N 0.82 0.88 -0.32 2.37 1.08 -0.34 0.04 115.11 119.64 3a12 h GLN 332 Ca 0.16 -0.24 0.01 0.00 -1.45 0.00 0.00 58.65 57.14 3a12 h GLN 332 Cb 0.46 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.76 3a12 h GLN 332 CO 0.02 0.86 0.19 -0.91 -0.95 0.00 0.00 178.83 178.04 3a12 h ASN 333 N 0.82 0.31 -0.52 1.46 2.35 -0.96 0.09 115.58 119.13 3a12 h ASN 333 Ca 0.16 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.87 3a12 h ASN 333 Cb 0.45 -0.06 -0.03 0.00 0.05 0.00 0.00 38.32 38.73 3a12 h ASN 333 CO 0.02 0.23 0.17 0.00 -1.65 0.00 0.00 177.43 176.20 3a12 h ALA 334 N 1.14 1.23 -0.20 -0.83 0.00 -0.92 -2.64 119.26 117.04 3a12 h ALA 334 Ca 0.12 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 3a12 h ALA 334 Cb -0.01 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 3a12 h ALA 334 CO -0.05 0.54 -0.11 0.00 0.00 0.00 0.00 179.25 179.63 3a12 h ARG 335 N 0.83 0.43 0.00 0.00 3.08 -0.31 -2.64 114.38 115.78 3a12 h ARG 335 Ca 0.19 -0.19 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 3a12 h ARG 335 Cb 0.25 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.29 3a12 h ARG 335 CO -0.01 0.73 -0.14 0.97 -1.07 0.00 0.00 179.97 180.45 3a12 h ILE 336 N 0.12 0.98 0.00 2.04 6.09 -0.93 -0.16 117.51 125.65 3a12 h ILE 336 Ca 0.04 -0.51 -0.18 0.00 -1.37 0.00 0.00 64.86 62.84 3a12 h ILE 336 Cb 0.61 1.28 -0.02 0.00 0.47 0.00 0.00 36.82 39.16 3a12 h ILE 336 CO 0.03 0.14 -0.83 -0.07 -3.07 0.00 0.00 178.15 174.35 3a12 h LEU 337 N 0.00 0.10 0.00 2.19 3.38 -1.36 -3.39 115.31 116.23 3a12 h LEU 337 Ca -0.00 -0.08 -0.32 0.00 0.09 0.00 0.00 57.88 57.57 3a12 h LEU 337 Cb 0.27 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 40.93 3a12 h LEU 337 CO 0.02 0.89 -2.22 0.54 0.09 0.00 0.00 178.44 177.75 3a12 n ARG 338 N -3.61 0.98 -3.07 1.13 1.74 -0.76 -0.88 116.66 112.19 3a12 n ARG 338 Ca -0.02 0.03 -0.39 0.00 -0.77 0.00 0.00 57.85 56.70 3a12 n ARG 338 Cb 0.79 -1.45 -0.06 0.00 -1.02 0.00 0.00 32.46 30.72 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 -2.43 4.45 0.15 5.56 2.02 -0.15 -4.52 118.70 123.79 3a12 s GLU 339 Ca -0.15 1.02 0.09 0.00 0.02 0.00 0.00 54.97 55.95 3a12 s GLU 339 Cb 0.06 -3.26 -0.15 0.00 0.10 0.00 0.00 34.13 30.87 3a12 s GLU 339 CO 0.66 0.57 1.31 0.66 0.02 0.00 0.00 175.26 178.48 3a12 h SER 340 N 4.51 0.00 -3.22 -0.19 4.64 -1.91 -3.41 113.55 113.98 3a12 h SER 340 Ca -0.48 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.25 3a12 h SER 340 Cb 1.21 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.90 3a12 h SER 340 CO 0.66 0.90 -0.76 -2.28 -0.87 0.00 0.00 176.83 174.47 3a12 s HIS 341 N -2.76 1.64 -0.28 4.77 5.65 -1.26 0.01 115.29 123.05 3a12 s HIS 341 Ca 0.02 -2.02 -0.29 0.00 0.25 0.00 0.00 55.06 53.02 3a12 s HIS 341 Cb 0.09 -1.64 0.01 0.00 -1.18 0.00 0.00 32.58 29.86 3a12 s HIS 341 CO 0.80 -0.83 1.07 -0.47 -0.65 0.00 0.00 174.74 174.67 3a12 s TYR 342 N 0.96 3.21 -0.32 3.88 5.04 0.49 -4.92 117.35 125.68 3a12 s TYR 342 Ca 0.15 1.29 -0.04 0.00 -2.44 0.00 0.00 57.07 56.03 3a12 s TYR 342 Cb -0.22 -3.54 0.05 0.00 0.35 0.00 0.00 41.96 38.60 3a12 s TYR 342 CO -0.09 -0.69 0.06 0.15 -1.34 0.00 0.00 175.55 173.64 3a12 s LYS 343 N 3.49 2.52 0.76 4.97 3.01 -1.26 -1.51 119.74 131.72 3a12 s LYS 343 Ca 0.45 -1.24 -0.15 0.00 -1.01 0.00 0.00 55.97 54.03 3a12 s LYS 343 Cb -0.13 -3.34 0.04 0.00 -1.01 0.00 0.00 37.83 33.38 3a12 s LYS 343 CO 0.12 -0.66 1.06 -0.35 0.51 0.00 0.00 175.35 176.03 3a12 n PRO 344 N 4.72 0.39 -0.98 -1.68 -0.04 -1.26 -4.94 135.00 131.21 3a12 n PRO 344 Ca -0.12 0.20 -0.33 0.00 -0.04 0.00 0.00 63.50 63.20 3a12 n PRO 344 Cb 0.44 -2.31 0.14 0.00 -0.04 0.00 0.00 33.50 31.72 3a12 n PRO 344 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3a12 n ASP 345 N -2.30 0.56 0.04 3.54 8.00 -1.26 -4.90 116.55 120.23 3a12 n ASP 345 Ca 0.13 0.53 0.08 0.00 0.71 0.00 0.00 54.79 56.23 3a12 n ASP 345 Cb 0.50 -1.47 0.51 0.00 -0.02 0.00 0.00 41.12 40.63 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 -1.19 0.36 -0.02 -1.24 9.09 -2.02 -1.51 114.58 118.04 3a12 h GLU 346 Ca -0.45 -0.02 0.00 0.00 0.05 0.00 0.00 59.36 58.94 3a12 h GLU 346 Cb 1.29 -0.08 0.00 0.00 -1.65 0.00 0.00 28.75 28.31 3a12 h GLU 346 CO 0.44 0.23 -0.01 0.27 0.05 0.00 0.00 179.01 179.99 3a12 n ASN 347 N -4.48 2.25 -4.59 3.06 6.94 -1.26 -4.89 115.26 112.29 3a12 n ASN 347 Ca 0.04 -1.74 -0.42 0.00 -0.02 0.00 0.00 54.58 52.43 3a12 n ASN 347 Cb 0.17 0.01 -0.03 0.00 -2.36 0.00 0.00 39.78 37.57 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 -2.01 5.69 0.00 0.53 -1.08 -0.57 -4.84 116.67 114.38 3a12 s ASP 348 Ca 0.33 1.21 0.25 0.00 -0.52 0.00 0.00 52.55 53.81 3a12 s ASP 348 Cb 0.20 -2.52 0.70 0.00 -1.46 0.00 0.00 42.92 39.84 3a12 s ASP 348 CO 0.32 -1.89 1.54 1.33 0.52 0.00 0.00 175.17 177.00 3a12 n VAL 349 N 7.45 0.09 -0.10 1.11 0.24 -1.26 -4.36 118.33 121.50 3a12 n VAL 349 Ca 0.24 -0.39 -0.13 0.00 -2.04 0.00 0.00 64.34 62.02 3a12 n VAL 349 Cb 0.48 0.79 -0.10 0.00 -1.47 0.00 0.00 33.84 33.54 3a12 n VAL 349 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 3a12 n PHE 350 N 0.65 0.00 -4.32 6.34 3.72 -1.26 -4.96 117.46 117.63 3a12 n PHE 350 Ca 0.17 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.29 3a12 n PHE 350 Cb 0.44 -0.77 -0.11 0.00 -0.94 0.00 0.00 39.48 38.10 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 -2.40 2.52 0.23 1.38 3.76 -1.26 -4.22 115.29 115.29 3a12 s HIS 351 Ca -0.23 -0.27 0.08 0.00 -0.15 0.00 0.00 55.06 54.49 3a12 s HIS 351 Cb 0.07 -1.29 -0.04 0.00 1.11 0.00 0.00 32.58 32.42 3a12 s HIS 351 CO 0.50 0.44 0.05 -0.51 -0.85 0.00 0.00 174.74 174.37 3a12 s LEU 352 N -2.43 3.41 0.29 0.89 1.43 -1.26 -4.75 118.68 116.26 3a12 s LEU 352 Ca 0.20 -0.44 -0.30 0.00 -1.03 0.00 0.00 54.13 52.56 3a12 s LEU 352 Cb -0.10 -1.98 -0.11 0.00 0.03 0.00 0.00 46.19 44.04 3a12 s LEU 352 CO 0.11 0.03 1.54 -0.70 0.23 0.00 0.00 176.35 177.55 3a12 s GLU 353 N -3.44 4.16 -0.11 1.70 2.12 -1.26 -4.63 118.70 117.24 3a12 s GLU 353 Ca 0.30 2.50 -0.04 0.00 0.36 0.00 0.00 54.97 58.09 3a12 s GLU 353 Cb -0.08 -3.04 0.06 0.00 0.26 0.00 0.00 34.13 31.33 3a12 s GLU 353 CO 0.21 -0.56 0.22 -1.14 -0.54 0.00 0.00 175.26 173.45 3a12 s GLN 354 N -0.71 0.10 0.05 4.30 2.00 -0.57 -5.00 119.66 119.84 3a12 s GLN 354 Ca 0.61 0.65 -0.12 0.00 -2.00 0.00 0.00 55.36 54.49 3a12 s GLN 354 Cb -0.46 -0.14 -0.06 0.00 0.80 0.00 0.00 33.01 33.15 3a12 s GLN 354 CO 0.49 -0.28 0.42 0.15 -0.50 0.00 0.00 175.29 175.56 3a12 s LYS 355 N 2.26 3.84 0.00 1.67 1.02 -1.26 -0.38 119.74 126.89 3a12 s LYS 355 Ca 0.01 0.30 0.10 0.00 0.02 0.00 0.00 55.97 56.41 3a12 s LYS 355 Cb -0.12 -3.08 0.00 0.00 -0.52 0.00 0.00 37.83 34.11 3a12 s LYS 355 CO -0.07 0.61 0.66 1.19 -0.92 0.00 0.00 175.35 176.81 3a12 n PHE 356 N 1.27 0.00 0.00 3.18 3.72 0.10 -4.94 117.46 120.79 3a12 n PHE 356 Ca -0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.30 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 -0.18 0.00 1.47 1.38 4.01 -1.26 -0.57 117.16 122.02 3a12 n TYR 357 Ca 0.04 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 57.92 3a12 n TYR 357 Cb 0.22 0.00 0.56 0.00 -0.31 0.00 0.00 39.34 39.82 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 7.58 0.89 -4.68 7.72 3.41 -1.26 -4.89 113.62 122.39 3a12 n SER 358 Ca 0.00 -1.01 -0.42 0.00 -0.26 0.00 0.00 58.87 57.18 3a12 n SER 358 Cb 0.00 0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 63.93 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 -2.27 3.72 0.80 -1.33 -1.09 0.27 -4.98 121.20 116.31 3a12 s ILE 359 Ca 0.33 1.05 -0.11 0.00 -2.23 0.00 0.00 60.65 59.69 3a12 s ILE 359 Cb 0.20 -3.68 0.07 0.00 -1.58 0.00 0.00 42.46 37.48 3a12 s ILE 359 CO 0.43 -0.02 1.09 -0.54 -1.23 0.00 0.00 174.94 174.66 3a12 s LYS 360 N 2.76 2.06 0.29 2.79 1.02 -1.26 -4.91 119.74 122.48 3a12 s LYS 360 Ca 0.65 0.96 -0.29 0.00 0.02 0.00 0.00 55.97 57.30 3a12 s LYS 360 Cb -0.31 -1.89 -0.10 0.00 -0.52 0.00 0.00 37.83 35.01 3a12 s LYS 360 CO 0.26 -1.72 1.11 0.00 -0.92 0.00 0.00 175.35 174.08 3a12 s ALA 361 N -2.97 3.41 0.15 5.17 0.00 -1.26 -4.56 121.76 121.69 3a12 s ALA 361 Ca 0.61 0.92 0.02 0.00 0.00 0.00 0.00 51.96 53.51 3a12 s ALA 361 Cb -0.16 -3.34 -0.04 0.00 0.00 0.00 0.00 23.12 19.58 3a12 s ALA 361 CO 0.56 -0.19 0.29 0.00 0.00 0.00 0.00 175.76 176.42 3a12 s ALA 362 N -1.17 3.95 -0.38 0.00 0.00 -0.06 -1.09 121.76 123.02 3a12 s ALA 362 Ca 0.45 -0.98 -0.28 0.00 0.00 0.00 0.00 51.96 51.16 3a12 s ALA 362 Cb -0.32 -1.82 0.02 0.00 0.00 0.00 0.00 23.12 20.99 3a12 s ALA 362 CO 0.42 0.55 1.02 -0.06 0.00 0.00 0.00 175.76 177.69 3a12 s PHE 363 N -1.74 3.05 0.29 0.00 0.08 0.10 -4.29 117.98 115.47 3a12 s PHE 363 Ca 0.35 0.91 -0.29 0.00 0.12 0.00 0.00 56.93 58.02 3a12 s PHE 363 Cb -0.11 -3.84 -0.10 0.00 -0.57 0.00 0.00 43.02 38.40 3a12 s PHE 363 CO 0.28 -0.90 1.30 -2.14 -0.10 0.00 0.00 175.22 173.66 3a12 s PRO 364 N 3.75 4.39 -0.16 0.24 0.02 -1.26 -0.44 135.00 141.53 3a12 s PRO 364 Ca 0.43 2.15 0.00 0.00 0.02 0.00 0.00 61.00 63.60 3a12 s PRO 364 Cb -0.11 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.30 3a12 s PRO 364 CO 0.20 -0.17 -0.16 0.99 -0.33 0.00 0.00 177.00 177.53 3a12 s THR 365 N -0.82 2.51 -0.24 0.99 2.01 0.13 -0.42 115.64 119.80 3a12 s THR 365 Ca 0.51 -0.82 -0.09 0.00 0.31 0.00 0.00 61.69 61.60 3a12 s THR 365 Cb -0.38 -2.06 -0.04 0.00 0.01 0.00 0.00 72.50 70.03 3a12 s THR 365 CO 0.48 0.52 0.11 -0.44 -0.69 0.00 0.00 174.62 174.60 3a12 s SER 366 N 0.96 5.60 -0.22 3.53 0.01 0.22 -1.81 113.70 121.99 3a12 s SER 366 Ca -0.03 -0.05 -0.23 0.00 1.31 0.00 0.00 55.95 56.96 3a12 s SER 366 Cb -0.15 -2.01 0.06 0.00 0.21 0.00 0.00 66.02 64.14 3a12 s SER 366 CO -0.03 0.03 0.63 -0.55 0.41 0.00 0.00 173.24 173.73 3a12 s SER 367 N 1.27 -0.65 0.00 2.44 0.15 -1.26 -1.73 113.70 113.93 3a12 s SER 367 Ca 0.06 1.20 0.00 0.00 0.70 0.00 0.00 55.95 57.90 3a12 s SER 367 Cb -0.14 1.20 0.00 0.00 -1.71 0.00 0.00 66.02 65.37 3a12 s SER 367 CO 0.05 -0.26 0.00 0.61 1.20 0.00 0.00 173.24 174.84 3a12 n GLY 368 N 2.53 2.45 2.38 9.45 0.00 -1.26 -4.66 105.19 116.08 3a12 n GLY 368 Ca -0.14 -0.51 -0.19 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.19 3.83 -0.02 0.00 -1.26 -1.88 105.19 105.68 3a12 n GLY 369 Ca 0.00 -0.09 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 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 -5.35 4.31 0.23 0.99 1.43 -1.26 -4.44 118.68 114.59 3a12 s LEU 370 Ca 0.00 1.24 -0.09 0.00 -1.03 0.00 0.00 54.13 54.24 3a12 s LEU 370 Cb 0.00 -3.49 -0.01 0.00 0.03 0.00 0.00 46.19 42.72 3a12 s LEU 370 CO 0.00 0.04 0.38 -1.38 0.23 0.00 0.00 176.35 175.62 3a12 s HIS 371 N -1.55 0.59 0.37 0.29 -3.43 -1.26 -3.64 115.29 106.66 3a12 s HIS 371 Ca 0.42 -0.91 0.15 0.00 -0.80 0.00 0.00 55.06 53.92 3a12 s HIS 371 Cb -0.15 -0.03 1.02 0.00 -1.43 0.00 0.00 32.58 31.99 3a12 s HIS 371 CO 0.20 -0.89 1.76 -1.35 -2.00 0.00 0.00 174.74 172.46 3a12 h PRO 372 N 2.36 0.46 -0.12 -0.38 0.11 -1.93 0.11 132.00 132.61 3a12 h PRO 372 Ca -0.29 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.79 3a12 h PRO 372 Cb 1.25 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3a12 h PRO 372 CO 0.41 0.30 0.00 0.41 -0.21 0.00 0.00 178.00 178.91 3a12 n GLY 373 N -1.41 -0.25 0.53 -0.55 0.00 -1.26 -3.78 105.19 98.46 3a12 n GLY 373 Ca 0.26 -0.26 0.01 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.12 0.20 0.02 1.61 6.94 0.01 -4.42 115.26 119.50 3a12 n ASN 374 Ca 0.13 -2.07 0.12 0.00 -0.02 0.00 0.00 54.58 52.73 3a12 n ASN 374 Cb 0.20 -0.22 0.13 0.00 -2.36 0.00 0.00 39.78 37.52 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 -0.06 0.10 -0.06 1.53 -5.35 -1.16 -4.33 119.36 110.03 3a12 n ILE 375 Ca 0.01 -0.11 -0.15 0.00 -0.27 0.00 0.00 62.75 62.24 3a12 n ILE 375 Cb 0.72 0.28 -0.06 0.00 -1.74 0.00 0.00 39.64 38.84 3a12 n ILE 375 CO 0.00 0.00 0.00 0.06 -1.76 0.00 0.00 176.55 174.85 3a12 h GLN 376 N 0.00 0.62 0.00 6.28 -0.00 -1.86 -1.77 115.11 118.38 3a12 h GLN 376 Ca 0.00 -0.41 -0.01 0.00 -0.00 0.00 0.00 58.65 58.23 3a12 h GLN 376 Cb 0.60 0.06 -0.00 0.00 -0.00 0.00 0.00 27.48 28.13 3a12 h GLN 376 CO 0.00 1.03 -0.04 -1.00 -0.00 0.00 0.00 178.83 178.82 3a12 h PRO 377 N 0.30 0.00 0.05 0.06 0.13 -1.94 -0.60 132.00 130.00 3a12 h PRO 377 Ca 0.00 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3a12 h PRO 377 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 3a12 h PRO 377 CO 0.09 0.04 -0.02 0.28 -0.23 0.00 0.00 178.00 178.16 3a12 h VAL 378 N 0.00 1.30 0.00 1.56 2.07 -1.67 -2.24 116.25 117.27 3a12 h VAL 378 Ca -0.00 -1.43 -0.00 0.00 0.82 0.00 0.00 66.70 66.09 3a12 h VAL 378 Cb 0.10 2.21 -0.00 0.00 -1.52 0.00 0.00 31.29 32.08 3a12 h VAL 378 CO 0.01 0.34 -0.01 0.16 0.02 0.00 0.00 177.57 178.09 3a12 h ILE 379 N -0.73 0.01 -0.18 4.57 3.07 -1.16 -0.72 117.51 122.37 3a12 h ILE 379 Ca -0.01 -0.79 -0.04 0.00 1.55 0.00 0.00 64.86 65.57 3a12 h ILE 379 Cb 0.62 1.78 -0.01 0.00 -0.27 0.00 0.00 36.82 38.94 3a12 h ILE 379 CO 0.01 0.01 -0.06 -0.33 -1.05 0.00 0.00 178.15 176.73 3a12 h GLU 380 N 0.00 0.35 -0.42 0.16 4.39 -1.15 0.28 114.58 118.19 3a12 h GLU 380 Ca -0.00 -0.14 -0.13 0.00 0.34 0.00 0.00 59.36 59.43 3a12 h GLU 380 Cb 0.78 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.40 3a12 h GLU 380 CO 0.00 0.63 -0.22 0.00 -1.16 0.00 0.00 179.01 178.26 3a12 h ALA 381 N 0.71 0.60 0.00 3.43 0.00 -1.17 -3.37 119.26 119.46 3a12 h ALA 381 Ca 0.04 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3a12 h ALA 381 Cb 0.51 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3a12 h ALA 381 CO 0.02 0.58 -1.53 1.28 0.00 0.00 0.00 179.25 179.61 3a12 n LEU 382 N -4.18 0.03 0.00 0.00 4.77 -0.30 -4.92 117.00 112.41 3a12 n LEU 382 Ca -0.01 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 3a12 n LEU 382 Cb 0.45 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 3a12 n LEU 382 CO 0.46 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 3a12 n GLY 383 N 1.75 -3.11 0.14 -0.72 0.00 0.98 -4.59 105.19 99.64 3a12 n GLY 383 Ca -0.02 -2.02 0.13 0.00 0.00 0.00 0.00 46.02 44.11 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 -0.07 0.00 -2.30 2.61 -2.24 -1.26 -4.48 114.28 106.54 3a12 n THR 384 Ca 0.00 -0.07 -0.42 0.00 -2.27 0.00 0.00 64.05 61.29 3a12 n THR 384 Cb 0.00 0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.51 3a12 n THR 384 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3a12 n ASP 385 N -1.02 5.31 -3.73 3.42 8.00 -1.26 -3.35 116.55 123.91 3a12 n ASP 385 Ca 0.10 -3.11 -0.10 0.00 0.71 0.00 0.00 54.79 52.39 3a12 n ASP 385 Cb 0.34 -1.47 -0.06 0.00 -0.02 0.00 0.00 41.12 39.91 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 0.27 0.10 -0.20 0.53 -4.36 -1.26 -4.42 121.20 111.86 3a12 s ILE 386 Ca 0.41 -0.84 -0.08 0.00 -0.26 0.00 0.00 60.65 59.87 3a12 s ILE 386 Cb 0.10 -1.23 -0.04 0.00 1.25 0.00 0.00 42.46 42.54 3a12 s ILE 386 CO -0.00 -0.46 0.09 -0.69 0.24 0.00 0.00 174.94 174.11 3a12 s VAL 387 N -3.79 4.89 -0.18 8.37 1.01 0.44 -2.33 120.40 128.81 3a12 s VAL 387 Ca 0.04 0.01 -0.09 0.00 0.00 0.00 0.00 61.98 61.94 3a12 s VAL 387 Cb 0.03 -3.23 -0.05 0.00 0.00 0.00 0.00 36.38 33.13 3a12 s VAL 387 CO -0.11 0.42 0.11 -0.76 0.00 0.00 0.00 175.10 174.76 3a12 s LEU 388 N 0.65 4.13 -0.14 3.92 1.43 0.28 -0.61 118.68 128.35 3a12 s LEU 388 Ca 0.05 0.23 0.02 0.00 -1.03 0.00 0.00 54.13 53.40 3a12 s LEU 388 Cb -0.13 -2.05 0.00 0.00 0.03 0.00 0.00 46.19 44.04 3a12 s LEU 388 CO 0.01 0.22 -0.19 -1.58 0.23 0.00 0.00 176.35 175.04 3a12 s GLN 389 N 0.09 3.12 -0.27 1.70 -0.44 -0.70 -1.58 119.66 121.58 3a12 s GLN 389 Ca 0.08 -0.81 -0.01 0.00 -2.50 0.00 0.00 55.36 52.12 3a12 s GLN 389 Cb -0.11 -2.50 0.09 0.00 -1.64 0.00 0.00 33.01 28.84 3a12 s GLN 389 CO -0.00 0.04 0.07 -0.51 0.50 0.00 0.00 175.29 175.39 3a12 s LEU 390 N 0.71 1.91 0.00 3.68 1.02 -0.80 -4.37 118.68 120.83 3a12 s LEU 390 Ca -0.09 -1.37 0.00 0.00 0.02 0.00 0.00 54.13 52.69 3a12 s LEU 390 Cb -0.16 -0.79 0.00 0.00 0.02 0.00 0.00 46.19 45.26 3a12 s LEU 390 CO 0.01 -0.37 0.00 0.61 0.02 0.00 0.00 176.35 176.62 3a12 n GLY 391 N 4.91 0.94 0.37 -3.19 0.00 -1.26 -3.74 105.19 103.22 3a12 n GLY 391 Ca -0.05 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.17 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 1.63 1.79 -0.02 0.00 -1.88 -0.30 103.07 104.29 3a12 h GLY 392 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.06 3a12 h GLY 392 CO 0.00 -0.21 0.00 0.61 0.00 0.00 0.00 176.54 176.94 3a12 n GLY 393 N -1.38 -0.92 0.51 4.60 0.00 -1.24 -0.01 105.19 106.74 3a12 n GLY 393 Ca 0.27 -0.06 -0.15 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.40 0.98 0.24 2.61 -1.04 -0.39 -4.53 114.28 110.75 3a12 n THR 394 Ca 0.06 -0.12 0.12 0.00 -2.04 0.00 0.00 64.05 62.06 3a12 n THR 394 Cb 0.15 -1.78 0.73 0.00 -1.82 0.00 0.00 70.33 67.61 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 -0.57 0.00 -0.33 -4.42 4.07 -1.00 -2.91 115.31 110.16 3a12 h LEU 395 Ca -0.32 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.64 3a12 h LEU 395 Cb 1.19 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.93 3a12 h LEU 395 CO -0.19 0.00 -0.13 0.61 -1.08 0.00 0.00 178.44 177.64 3a12 n GLY 396 N -1.48 -0.82 3.62 0.83 0.00 0.98 -4.38 105.19 103.94 3a12 n GLY 396 Ca -0.02 -0.30 -0.47 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.82 1.64 -0.24 1.61 -0.00 -1.10 -4.85 115.22 111.46 3a12 n HIS 397 Ca 0.14 0.59 0.19 0.00 -0.00 0.00 0.00 57.72 58.64 3a12 n HIS 397 Cb 0.29 -2.35 0.51 0.00 -0.00 0.00 0.00 29.99 28.45 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 3.48 0.39 -0.58 1.57 0.11 -1.92 -0.22 132.00 134.83 3a12 h PRO 398 Ca -0.43 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.62 3a12 h PRO 398 Cb 1.32 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 3a12 h PRO 398 CO 0.71 0.26 0.04 -0.25 -0.21 0.00 0.00 178.00 178.55 3a12 n ASP 399 N -4.51 5.51 0.00 -2.05 8.00 -1.26 -5.06 116.55 117.18 3a12 n ASP 399 Ca 0.19 -2.99 0.00 0.00 0.71 0.00 0.00 54.79 52.70 3a12 n ASP 399 Cb 0.70 -0.69 0.00 0.00 -0.02 0.00 0.00 41.12 41.11 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 0.43 -0.02 0.30 0.44 0.00 -0.09 -4.41 105.19 101.84 3a12 n GLY 400 Ca 0.30 -1.75 -0.12 0.00 0.00 0.00 0.00 46.02 44.44 3a12 n GLY 400 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3a12 h PRO 401 N 0.00 -0.43 -0.67 1.61 0.11 -1.76 0.02 132.00 130.87 3a12 h PRO 401 Ca 0.00 0.03 0.14 0.00 0.11 0.00 0.00 66.00 66.28 3a12 h PRO 401 Cb 0.00 0.10 -0.11 0.00 0.11 0.00 0.00 31.00 31.10 3a12 h PRO 401 CO 0.00 -0.29 0.03 0.00 -0.21 0.00 0.00 178.00 177.53 3a12 h ALA 402 N 0.31 0.70 -0.65 -0.75 0.00 -1.86 0.33 119.26 117.35 3a12 h ALA 402 Ca 0.05 0.20 -0.09 0.00 0.00 0.00 0.00 54.91 55.07 3a12 h ALA 402 Cb 0.51 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 3a12 h ALA 402 CO -0.20 -0.39 0.06 0.00 0.00 0.00 0.00 179.25 178.72 3a12 h ALA 403 N 1.61 0.89 -0.28 0.00 0.00 -1.69 -2.54 119.26 117.25 3a12 h ALA 403 Ca 0.36 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 55.01 3a12 h ALA 403 Cb 0.60 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3a12 h ALA 403 CO -0.56 0.67 0.19 0.78 0.00 0.00 0.00 179.25 180.33 3a12 h GLY 404 N 1.03 0.30 0.92 0.00 0.00 0.15 0.80 103.07 106.26 3a12 h GLY 404 Ca 0.19 -0.10 -0.19 0.00 0.00 0.00 0.00 47.33 47.22 3a12 h GLY 404 CO 0.02 0.09 -0.76 0.00 0.00 0.00 0.00 176.54 175.90 3a12 h ALA 405 N 1.84 0.08 -0.55 3.60 0.00 -0.51 -2.47 119.26 121.25 3a12 h ALA 405 Ca 0.11 -0.62 -0.02 0.00 0.00 0.00 0.00 54.91 54.38 3a12 h ALA 405 Cb 0.13 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3a12 h ALA 405 CO -0.02 0.46 0.25 0.00 0.00 0.00 0.00 179.25 179.94 3a12 h ARG 406 N 0.05 0.78 -0.06 0.00 3.08 -1.03 -2.19 114.38 115.01 3a12 h ARG 406 Ca -0.10 -0.10 -0.00 0.00 0.07 0.00 0.00 59.98 59.85 3a12 h ARG 406 Cb 1.45 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 31.35 3a12 h ARG 406 CO 0.15 0.62 0.04 0.00 -1.07 0.00 0.00 179.97 179.71 3a12 h ALA 407 N 1.50 0.08 -0.59 0.04 0.00 -0.84 -1.69 119.26 117.75 3a12 h ALA 407 Ca 0.19 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 3a12 h ALA 407 Cb 0.11 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3a12 h ALA 407 CO -0.02 -0.41 0.06 0.28 0.00 0.00 0.00 179.25 179.15 3a12 h VAL 408 N 0.06 1.25 -0.05 0.00 2.07 -1.15 -0.40 116.25 118.04 3a12 h VAL 408 Ca 0.02 -1.03 -0.09 0.00 0.82 0.00 0.00 66.70 66.42 3a12 h VAL 408 Cb 0.02 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 3a12 h VAL 408 CO -0.00 0.38 -0.39 0.03 0.02 0.00 0.00 177.57 177.61 3a12 h ARG 409 N 0.91 0.09 0.08 1.57 2.47 -1.34 -1.40 114.38 116.76 3a12 h ARG 409 Ca 0.18 -0.04 -0.00 0.00 -1.26 0.00 0.00 59.98 58.85 3a12 h ARG 409 Cb 0.45 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.77 3a12 h ARG 409 CO 0.02 0.47 -0.04 1.96 0.56 0.00 0.00 179.97 182.94 3a12 h GLN 410 N 0.08 -0.10 -0.89 0.04 4.20 -0.67 -0.76 115.11 117.01 3a12 h GLN 410 Ca 0.01 0.01 0.15 0.00 0.06 0.00 0.00 58.65 58.87 3a12 h GLN 410 Cb 0.72 0.02 -0.09 0.00 0.30 0.00 0.00 27.48 28.43 3a12 h GLN 410 CO 0.05 0.25 0.49 0.00 -0.67 0.00 0.00 178.83 178.95 3a12 h ALA 411 N 0.41 1.36 -0.25 3.87 0.00 -0.91 0.12 119.26 123.87 3a12 h ALA 411 Ca -0.01 0.07 -0.16 0.00 0.00 0.00 0.00 54.91 54.81 3a12 h ALA 411 Cb 0.40 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 3a12 h ALA 411 CO 0.02 -0.03 -0.51 0.82 0.00 0.00 0.00 179.25 179.55 3a12 h ILE 412 N 0.70 1.30 -0.63 0.00 2.04 -1.20 -1.62 117.51 118.11 3a12 h ILE 412 Ca 0.48 -1.72 -0.02 0.00 1.00 0.00 0.00 64.86 64.61 3a12 h ILE 412 Cb 0.65 1.65 -0.03 0.00 -0.74 0.00 0.00 36.82 38.35 3a12 h ILE 412 CO -0.34 0.55 0.33 0.44 0.00 0.00 0.00 178.15 179.13 3a12 h ASP 413 N 0.54 0.80 -0.50 1.72 3.32 -0.03 -0.79 116.42 121.48 3a12 h ASP 413 Ca 0.02 -0.10 0.03 0.00 0.02 0.00 0.00 57.03 57.00 3a12 h ASP 413 Cb 1.07 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 40.38 3a12 h ASP 413 CO 0.10 0.67 0.28 0.00 -1.72 0.00 0.00 179.24 178.57 3a12 h ALA 414 N 1.16 0.63 -0.35 3.45 0.00 -0.65 -2.66 119.26 120.84 3a12 h ALA 414 Ca 0.22 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 55.00 3a12 h ALA 414 Cb 0.06 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3a12 h ALA 414 CO -0.03 -0.04 -0.33 0.82 0.00 0.00 0.00 179.25 179.67 3a12 h ILE 415 N 0.55 1.28 0.00 0.00 2.04 -1.03 -0.85 117.51 119.50 3a12 h ILE 415 Ca 0.21 -1.48 0.00 0.00 1.00 0.00 0.00 64.86 64.58 3a12 h ILE 415 Cb 0.06 1.36 0.00 0.00 -0.74 0.00 0.00 36.82 37.50 3a12 h ILE 415 CO -0.12 0.49 0.00 0.24 0.00 0.00 0.00 178.15 178.76 3a12 h MET 416 N 0.66 0.00 -0.00 2.37 2.86 -0.92 -2.43 114.93 117.47 3a12 h MET 416 Ca 0.07 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 3a12 h MET 416 Cb 0.87 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.53 3a12 h MET 416 CO 0.08 0.00 -0.42 1.04 1.06 0.00 0.00 176.91 178.67 3a12 n GLN 417 N -2.60 2.83 -1.02 1.72 6.02 -0.85 -5.00 117.38 118.48 3a12 n GLN 417 Ca -0.01 -0.24 -0.01 0.00 -0.01 0.00 0.00 57.00 56.73 3a12 n GLN 417 Cb 0.12 -1.07 -0.00 0.00 1.02 0.00 0.00 30.24 30.31 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 1.15 0.48 3.57 1.08 0.00 -0.41 -5.01 105.19 106.05 3a12 n GLY 418 Ca 0.03 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.97 4.71 0.42 -0.61 1.09 -0.68 -5.01 121.20 119.13 3a12 s ILE 419 Ca 0.00 0.67 -0.22 0.00 -1.10 0.00 0.00 60.65 59.99 3a12 s ILE 419 Cb 0.00 -4.25 -0.13 0.00 -1.06 0.00 0.00 42.46 37.02 3a12 s ILE 419 CO 0.00 -0.55 0.54 -2.65 -0.10 0.00 0.00 174.94 172.18 3a12 n PRO 420 N 6.53 0.56 -0.26 2.79 -0.02 -1.26 -4.49 135.00 138.84 3a12 n PRO 420 Ca 0.02 0.20 -0.05 0.00 -2.02 0.00 0.00 63.50 61.65 3a12 n PRO 420 Cb 0.48 -1.49 0.06 0.00 -0.02 0.00 0.00 33.50 32.53 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 0.80 0.89 -0.59 2.45 3.38 -1.95 -1.72 115.31 118.57 3a12 h LEU 421 Ca -0.40 -0.08 0.11 0.00 0.09 0.00 0.00 57.88 57.60 3a12 h LEU 421 Cb 1.40 -0.22 -0.08 0.00 0.09 0.00 0.00 40.66 41.84 3a12 h LEU 421 CO 0.52 0.71 0.12 0.44 0.09 0.00 0.00 178.44 180.31 3a12 h ASP 422 N 0.99 -0.01 0.53 -0.43 3.32 -1.99 0.58 116.42 119.41 3a12 h ASP 422 Ca 0.26 0.11 -0.03 0.00 0.02 0.00 0.00 57.03 57.39 3a12 h ASP 422 Cb 0.00 0.16 0.01 0.00 0.22 0.00 0.00 39.33 39.71 3a12 h ASP 422 CO -0.04 0.01 -0.25 1.05 -1.72 0.00 0.00 179.24 178.28 3a12 h GLU 423 N 0.25 -0.69 -0.99 3.56 -0.00 -1.80 -3.00 114.58 111.91 3a12 h GLU 423 Ca 0.31 0.05 0.26 0.00 -0.00 0.00 0.00 59.36 59.97 3a12 h GLU 423 Cb 0.46 0.16 -0.13 0.00 -0.00 0.00 0.00 28.75 29.23 3a12 h GLU 423 CO -0.40 -0.46 0.56 -0.92 -0.00 0.00 0.00 179.01 177.79 3a12 h TYR 424 N -0.79 0.95 -0.54 2.06 3.20 -1.07 0.17 116.97 120.94 3a12 h TYR 424 Ca -0.07 0.04 0.09 0.00 3.14 0.00 0.00 58.73 61.92 3a12 h TYR 424 Cb 0.55 -0.26 -0.07 0.00 1.54 0.00 0.00 36.73 38.49 3a12 h TYR 424 CO 0.08 0.00 0.17 0.00 -1.64 0.00 0.00 178.16 176.77 3a12 h ALA 425 N 1.75 0.66 -1.68 1.82 0.00 0.17 -1.78 119.26 120.21 3a12 h ALA 425 Ca 0.65 0.09 0.51 0.00 0.00 0.00 0.00 54.91 56.16 3a12 h ALA 425 Cb 1.28 0.09 -0.10 0.00 0.00 0.00 0.00 17.79 19.06 3a12 h ALA 425 CO -0.51 -0.24 1.17 0.87 0.00 0.00 0.00 179.25 180.54 3a12 h LYS 426 N 0.33 0.02 -0.17 0.00 1.57 -0.51 0.70 116.57 118.50 3a12 h LYS 426 Ca 0.27 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.03 3a12 h LYS 426 Cb 0.34 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 3a12 h LYS 426 CO -0.30 0.01 -0.02 -2.37 -0.57 0.00 0.00 179.45 176.20 3a12 n THR 427 N -4.25 2.17 -3.40 -0.16 5.66 -0.68 -4.91 114.28 108.72 3a12 n THR 427 Ca 0.41 -2.13 -0.16 0.00 -3.05 0.00 0.00 64.05 59.11 3a12 n THR 427 Cb 1.76 -0.26 -0.10 0.00 -1.55 0.00 0.00 70.33 70.19 3a12 n THR 427 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 3a12 s HIS 428 N -2.90 -0.50 0.10 1.09 3.76 0.24 -5.06 115.29 112.02 3a12 s HIS 428 Ca 0.39 -0.07 -0.27 0.00 -0.15 0.00 0.00 55.06 54.96 3a12 s HIS 428 Cb 0.33 -0.42 -0.11 0.00 1.11 0.00 0.00 32.58 33.49 3a12 s HIS 428 CO 0.06 -0.90 1.66 1.57 -0.85 0.00 0.00 174.74 176.28 3a12 h LYS 429 N 8.26 -0.41 -0.64 1.40 -0.00 -1.91 -0.81 116.57 122.45 3a12 h LYS 429 Ca -0.13 0.03 0.08 0.00 -0.00 0.00 0.00 60.65 60.63 3a12 h LYS 429 Cb 1.09 0.09 -0.07 0.00 -0.00 0.00 0.00 32.23 33.34 3a12 h LYS 429 CO 0.33 -0.27 0.30 0.93 -0.00 0.00 0.00 179.45 180.73 3a12 h GLU 430 N -0.43 0.51 0.04 0.07 3.07 -1.94 0.12 114.58 116.01 3a12 h GLU 430 Ca 0.01 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 58.83 3a12 h GLU 430 Cb 0.41 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.21 3a12 h GLU 430 CO -0.07 0.33 -0.02 1.25 -1.40 0.00 0.00 179.01 179.11 3a12 h LEU 431 N 0.52 -0.04 -0.54 1.33 5.85 -1.77 -1.35 115.31 119.31 3a12 h LEU 431 Ca 0.31 -0.06 0.07 0.00 0.84 0.00 0.00 57.88 59.05 3a12 h LEU 431 Cb 0.33 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.31 3a12 h LEU 431 CO -0.26 0.03 0.22 0.00 -0.34 0.00 0.00 178.44 178.08 3a12 h ALA 432 N 0.85 0.69 -0.50 1.25 0.00 -0.44 -0.19 119.26 120.92 3a12 h ALA 432 Ca -0.01 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3a12 h ALA 432 Cb 0.10 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3a12 h ALA 432 CO 0.01 -0.18 0.27 0.00 0.00 0.00 0.00 179.25 179.36 3a12 h ARG 433 N 0.41 0.69 0.11 0.00 2.47 -0.60 0.15 114.38 117.61 3a12 h ARG 433 Ca 0.26 -0.07 -0.01 0.00 -1.26 0.00 0.00 59.98 58.91 3a12 h ARG 433 Cb 0.27 -0.14 0.00 0.00 -1.65 0.00 0.00 29.97 28.45 3a12 h ARG 433 CO -0.25 0.51 -0.05 0.00 0.56 0.00 0.00 179.97 180.74 3a12 h ALA 434 N 1.61 -0.15 -0.85 0.04 0.00 0.00 -2.74 119.26 117.18 3a12 h ALA 434 Ca 0.18 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.98 3a12 h ALA 434 Cb 0.02 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 3a12 h ALA 434 CO -0.03 -0.47 0.56 -0.07 0.00 0.00 0.00 179.25 179.24 3a12 h LEU 435 N -0.38 0.95 -0.98 0.00 3.38 -0.62 -0.63 115.31 117.03 3a12 h LEU 435 Ca -0.02 -0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.02 3a12 h LEU 435 Cb 0.31 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 40.76 3a12 h LEU 435 CO 0.02 0.67 0.62 -0.08 0.09 0.00 0.00 178.44 179.77 3a12 h GLU 436 N 1.11 1.04 0.03 1.13 4.81 -0.69 2.30 114.58 124.32 3a12 h GLU 436 Ca 0.32 -0.06 -0.10 0.00 -0.13 0.00 0.00 59.36 59.39 3a12 h GLU 436 Cb -0.08 -0.24 0.01 0.00 0.63 0.00 0.00 28.75 29.08 3a12 h GLU 436 CO -0.09 0.69 -0.41 -0.22 -0.73 0.00 0.00 179.01 178.25 3a12 h LYS 437 N 1.07 0.23 0.00 1.92 3.64 -1.09 -3.40 116.57 118.94 3a12 h LYS 437 Ca 0.45 -0.29 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 3a12 h LYS 437 Cb 0.28 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 3a12 h LYS 437 CO -0.21 1.04 -1.40 0.91 -2.27 0.00 0.00 179.45 177.53 3a12 n TRP 438 N -4.38 0.00 -0.42 1.91 8.01 -0.30 -5.07 117.44 117.19 3a12 n TRP 438 Ca -0.11 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.08 3a12 n TRP 438 Cb 0.61 -0.23 0.00 0.00 -2.01 0.00 0.00 31.31 29.68 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 1.76 3.17 1.02 6.99 0.00 0.78 -2.17 105.19 116.74 3a12 n GLY 439 Ca -0.02 -0.10 -0.02 0.00 0.00 0.00 0.00 46.02 45.89 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 0.81 -2.56 1.61 8.25 -1.26 -4.19 115.22 131.87 3a12 n HIS 440 Ca 0.00 -1.65 -0.34 0.00 -0.26 0.00 0.00 57.72 55.48 3a12 n HIS 440 Cb 0.00 -0.40 -0.04 0.00 1.12 0.00 0.00 29.99 30.67 3a12 n HIS 440 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3a12 s VAL 441 N -3.39 3.96 -0.38 1.59 1.01 -0.92 -4.86 120.40 117.41 3a12 s VAL 441 Ca 0.43 1.19 -0.14 0.00 0.00 0.00 0.00 61.98 63.45 3a12 s VAL 441 Cb 0.39 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 33.29 3a12 s VAL 441 CO -0.03 -0.30 0.29 -0.89 0.00 0.00 0.00 175.10 174.17 3a12 s THR 442 N -2.09 5.26 0.58 3.92 2.01 -1.26 -4.83 115.64 119.23 3a12 s THR 442 Ca 0.65 -0.45 -0.20 0.00 0.31 0.00 0.00 61.69 62.01 3a12 s THR 442 Cb -0.14 -3.85 -0.04 0.00 0.01 0.00 0.00 72.50 68.48 3a12 s THR 442 CO 0.20 -0.19 1.24 -2.84 -0.69 0.00 0.00 174.62 172.34 3a12 s PRO 443 N 1.73 3.02 0.00 4.92 0.02 -1.26 -5.00 135.00 138.44 3a12 s PRO 443 Ca 0.06 1.94 0.00 0.00 0.02 0.00 0.00 61.00 63.02 3a12 s PRO 443 Cb -0.18 -2.03 0.00 0.00 0.02 0.00 0.00 34.50 32.31 3a12 s PRO 443 CO 0.10 -1.19 0.07 0.28 -0.33 0.00 0.00 177.00 175.93