#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a12 h ASP 10 N 0.00 0.34 -0.69 7.72 5.19 -1.91 -2.86 116.42 124.23 3a12 h ASP 10 Ca 0.00 -0.06 0.20 0.00 -0.62 0.00 0.00 57.03 56.55 3a12 h ASP 10 Cb 0.00 -0.09 -0.03 0.00 0.18 0.00 0.00 39.33 39.39 3a12 h ASP 10 CO 0.00 0.43 0.49 0.22 -3.12 0.00 0.00 179.24 177.26 3a12 h TYR 11 N 0.36 0.02 -0.15 4.55 3.20 -1.99 -2.32 116.97 120.63 3a12 h TYR 11 Ca 0.08 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.95 3a12 h TYR 11 Cb 0.28 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.55 3a12 h TYR 11 CO 0.01 0.00 0.00 0.66 -1.64 0.00 0.00 178.16 177.19 3a12 n TYR 12 N -4.34 0.19 -3.97 -3.82 4.01 -1.08 -4.75 117.16 103.40 3a12 n TYR 12 Ca 0.13 -0.09 -0.35 0.00 -0.16 0.00 0.00 57.90 57.43 3a12 n TYR 12 Cb 0.75 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.66 3a12 n TYR 12 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3a12 s VAL 13 N -1.81 4.15 -0.28 -0.72 1.01 -0.87 0.24 120.40 122.11 3a12 s VAL 13 Ca 0.34 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 62.08 3a12 s VAL 13 Cb 0.18 -2.90 0.15 0.00 0.00 0.00 0.00 36.38 33.82 3a12 s VAL 13 CO 0.28 0.40 0.36 -0.62 0.00 0.00 0.00 175.10 175.52 3a12 s ASP 14 N 1.12 0.93 0.47 3.32 -1.08 0.10 -4.89 116.67 116.64 3a12 s ASP 14 Ca 0.03 -0.48 0.30 0.00 -0.52 0.00 0.00 52.55 51.87 3a12 s ASP 14 Cb -0.14 0.84 1.04 0.00 -1.46 0.00 0.00 42.92 43.20 3a12 s ASP 14 CO 0.02 -0.36 1.85 0.11 0.52 0.00 0.00 175.17 177.31 3a12 h LYS 15 N 8.21 0.00 -0.01 4.34 1.57 -1.72 -3.17 116.57 125.79 3a12 h LYS 15 Ca -0.12 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.52 3a12 h LYS 15 Cb 1.10 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.43 3a12 h LYS 15 CO 0.29 0.00 -0.57 0.78 -0.57 0.00 0.00 179.45 179.39 3a12 h GLY 16 N 2.70 0.44 -5.54 3.86 0.00 -1.93 -3.46 103.07 99.14 3a12 h GLY 16 Ca 0.00 -0.76 -0.72 0.00 0.00 0.00 0.00 47.33 45.85 3a12 h GLY 16 CO 0.00 0.67 0.08 1.58 0.00 0.00 0.00 176.54 178.88 3a12 n TYR 17 N -4.24 0.76 -4.56 5.60 4.11 -1.20 -4.97 117.16 112.67 3a12 n TYR 17 Ca -0.10 0.89 -0.33 0.00 -0.00 0.00 0.00 57.90 58.35 3a12 n TYR 17 Cb 0.65 -2.15 -0.14 0.00 -0.00 0.00 0.00 39.34 37.70 3a12 n TYR 17 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.86 175.65 3a12 s GLU 18 N -0.16 3.44 0.39 -3.48 2.02 -1.26 -4.90 118.70 114.75 3a12 s GLU 18 Ca 0.82 -0.64 -0.27 0.00 0.02 0.00 0.00 54.97 54.89 3a12 s GLU 18 Cb -1.07 -2.75 -0.09 0.00 0.10 0.00 0.00 34.13 30.32 3a12 s GLU 18 CO 0.54 0.15 1.34 -1.25 0.02 0.00 0.00 175.26 176.06 3a12 s PRO 19 N 0.54 4.05 -0.15 0.39 0.04 -1.26 -5.00 135.00 133.60 3a12 s PRO 19 Ca -0.07 2.25 -0.21 0.00 0.04 0.00 0.00 61.00 63.01 3a12 s PRO 19 Cb -0.15 -2.84 -0.03 0.00 0.04 0.00 0.00 34.50 31.51 3a12 s PRO 19 CO 0.03 -0.46 0.61 0.45 0.04 0.00 0.00 177.00 177.68 3a12 s SER 20 N -0.59 6.76 0.55 6.66 0.15 -1.26 -4.97 113.70 121.00 3a12 s SER 20 Ca 0.55 0.91 0.33 0.00 0.70 0.00 0.00 55.95 58.44 3a12 s SER 20 Cb -0.40 -2.35 1.48 0.00 -1.71 0.00 0.00 66.02 63.04 3a12 s SER 20 CO 0.52 -0.17 2.03 0.07 1.20 0.00 0.00 173.24 176.89 3a12 h LYS 21 N 7.14 0.00 0.00 5.44 -0.00 -1.95 -1.21 116.57 126.00 3a12 h LYS 21 Ca -0.36 0.00 -0.12 0.00 -0.00 0.00 0.00 60.65 60.17 3a12 h LYS 21 Cb 1.16 0.00 -0.02 0.00 -0.00 0.00 0.00 32.23 33.37 3a12 h LYS 21 CO 0.76 0.05 -2.12 1.63 -0.00 0.00 0.00 179.45 179.78 3a12 n LYS 22 N -3.20 0.67 -0.01 0.07 4.76 -1.26 -4.56 118.16 114.63 3a12 n LYS 22 Ca -0.00 -0.14 0.04 0.00 -2.87 0.00 0.00 58.31 55.34 3a12 n LYS 22 Cb 0.28 -1.52 -0.07 0.00 -1.84 0.00 0.00 35.03 31.88 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 -2.41 0.52 -4.07 1.97 1.74 -1.15 -4.57 116.66 108.68 3a12 n ARG 23 Ca -0.13 -0.08 -0.36 0.00 -0.77 0.00 0.00 57.85 56.52 3a12 n ARG 23 Cb 0.76 -1.22 -0.08 0.00 -1.02 0.00 0.00 32.46 30.90 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 -3.16 5.82 -0.02 0.55 1.01 -0.47 -1.60 116.67 118.81 3a12 s ASP 24 Ca -0.03 0.26 -0.21 0.00 0.71 0.00 0.00 52.55 53.28 3a12 s ASP 24 Cb 0.06 -1.84 -0.05 0.00 1.01 0.00 0.00 42.92 42.09 3a12 s ASP 24 CO 0.38 0.34 0.61 -0.63 0.21 0.00 0.00 175.17 176.08 3a12 s ILE 25 N -0.62 4.93 -0.14 0.77 1.01 0.34 -4.17 121.20 123.31 3a12 s ILE 25 Ca 0.11 1.27 0.02 0.00 0.00 0.00 0.00 60.65 62.06 3a12 s ILE 25 Cb -0.12 -3.95 0.01 0.00 0.01 0.00 0.00 42.46 38.42 3a12 s ILE 25 CO 0.02 0.39 -0.20 -0.63 0.00 0.00 0.00 174.94 174.52 3a12 s ILE 26 N -0.02 1.95 -0.18 2.92 1.01 -1.04 0.48 121.20 126.32 3a12 s ILE 26 Ca 0.32 -0.90 -0.09 0.00 0.00 0.00 0.00 60.65 59.98 3a12 s ILE 26 Cb -0.18 -1.74 -0.05 0.00 0.01 0.00 0.00 42.46 40.50 3a12 s ILE 26 CO 0.17 0.53 0.11 0.00 0.00 0.00 0.00 174.94 175.74 3a12 s ALA 27 N 0.98 3.61 -0.34 9.38 0.00 -0.36 0.15 121.76 135.17 3a12 s ALA 27 Ca -0.04 -0.70 -0.13 0.00 0.00 0.00 0.00 51.96 51.08 3a12 s ALA 27 Cb -0.15 -2.05 -0.01 0.00 0.00 0.00 0.00 23.12 20.90 3a12 s ALA 27 CO -0.05 0.22 0.27 0.08 0.00 0.00 0.00 175.76 176.28 3a12 s VAL 28 N 0.20 5.26 -0.10 0.00 1.01 -0.35 -1.04 120.40 125.39 3a12 s VAL 28 Ca 0.07 -0.18 -0.01 0.00 0.00 0.00 0.00 61.98 61.86 3a12 s VAL 28 Cb -0.12 -3.75 -0.03 0.00 0.00 0.00 0.00 36.38 32.49 3a12 s VAL 28 CO -0.01 -0.04 -0.07 -0.36 0.00 0.00 0.00 175.10 174.63 3a12 s PHE 29 N 1.78 2.95 -0.43 5.22 0.08 -0.25 0.46 117.98 127.78 3a12 s PHE 29 Ca 0.07 -0.13 -0.20 0.00 0.12 0.00 0.00 56.93 56.79 3a12 s PHE 29 Cb -0.17 -1.79 0.02 0.00 -0.57 0.00 0.00 43.02 40.51 3a12 s PHE 29 CO 0.11 0.17 0.59 0.50 -0.10 0.00 0.00 175.22 176.49 3a12 s ARG 30 N -0.37 3.23 -0.26 0.44 3.52 0.24 -0.59 118.95 125.16 3a12 s ARG 30 Ca 0.05 -0.48 -0.05 0.00 -0.13 0.00 0.00 55.73 55.12 3a12 s ARG 30 Cb -0.12 -3.95 -0.00 0.00 -1.56 0.00 0.00 34.95 29.31 3a12 s ARG 30 CO 0.02 -0.97 0.02 0.08 -0.81 0.00 0.00 175.30 173.65 3a12 s VAL 31 N 2.63 3.71 -0.39 7.11 1.01 0.32 -1.64 120.40 133.15 3a12 s VAL 31 Ca 0.20 -0.58 -0.11 0.00 0.00 0.00 0.00 61.98 61.48 3a12 s VAL 31 Cb -0.15 -2.81 0.04 0.00 0.00 0.00 0.00 36.38 33.46 3a12 s VAL 31 CO 0.17 0.24 0.23 -0.89 0.00 0.00 0.00 175.10 174.86 3a12 s THR 32 N 1.49 4.58 0.74 3.92 2.01 -0.23 -0.50 115.64 127.66 3a12 s THR 32 Ca 0.04 -0.97 -0.13 0.00 0.31 0.00 0.00 61.69 60.94 3a12 s THR 32 Cb -0.16 -3.62 0.04 0.00 0.01 0.00 0.00 72.50 68.78 3a12 s THR 32 CO 0.00 -0.31 1.13 -2.84 -0.69 0.00 0.00 174.62 171.91 3a12 s PRO 33 N 1.54 2.26 0.97 4.92 0.02 -1.26 -0.51 135.00 142.93 3a12 s PRO 33 Ca 0.02 1.42 -0.15 0.00 0.02 0.00 0.00 61.00 62.31 3a12 s PRO 33 Cb -0.20 -1.88 0.18 0.00 0.02 0.00 0.00 34.50 32.62 3a12 s PRO 33 CO 0.06 -1.68 1.23 0.00 -0.33 0.00 0.00 177.00 176.29 3a12 s ALA 34 N -2.48 1.97 0.03 -1.55 0.00 -1.02 -4.25 121.76 114.46 3a12 s ALA 34 Ca 0.67 -0.95 -0.31 0.00 0.00 0.00 0.00 51.96 51.36 3a12 s ALA 34 Cb -0.21 -2.87 -0.10 0.00 0.00 0.00 0.00 23.12 19.94 3a12 s ALA 34 CO 0.49 -2.47 1.93 -1.91 0.00 0.00 0.00 175.76 173.81 3a12 n GLU 35 N -3.85 2.73 -2.53 0.00 4.07 -1.26 -2.77 120.64 117.03 3a12 n GLU 35 Ca 0.12 1.00 -0.01 0.00 -0.06 0.00 0.00 57.16 58.21 3a12 n GLU 35 Cb 0.60 -2.92 0.00 0.00 -0.06 0.00 0.00 31.44 29.06 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 4.46 0.87 2.95 8.31 0.00 -1.26 -5.07 105.19 115.45 3a12 n GLY 36 Ca 0.20 -0.63 -0.13 0.00 0.00 0.00 0.00 46.02 45.47 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 -3.01 -0.10 0.73 1.61 2.02 -1.11 -5.16 117.35 112.33 3a12 s TYR 37 Ca 0.03 0.27 -0.11 0.00 -0.37 0.00 0.00 57.07 56.89 3a12 s TYR 37 Cb -0.01 -0.00 0.03 0.00 -0.40 0.00 0.00 41.96 41.58 3a12 s TYR 37 CO 0.03 -0.07 1.07 0.95 -1.57 0.00 0.00 175.55 175.97 3a12 s THR 38 N 0.28 3.69 0.39 -0.71 -4.23 -1.26 -4.69 115.64 109.11 3a12 s THR 38 Ca -0.02 0.55 0.30 0.00 -1.18 0.00 0.00 61.69 61.34 3a12 s THR 38 Cb -0.03 -3.20 0.32 0.00 1.34 0.00 0.00 72.50 70.93 3a12 s THR 38 CO -0.01 -0.72 2.09 -0.29 -0.54 0.00 0.00 174.62 175.15 3a12 h ILE 39 N -0.90 0.43 0.03 2.99 6.09 -1.98 -1.65 117.51 122.51 3a12 h ILE 39 Ca -0.44 -0.49 -0.24 0.00 -1.37 0.00 0.00 64.86 62.32 3a12 h ILE 39 Cb 1.22 1.34 -0.03 0.00 0.47 0.00 0.00 36.82 39.83 3a12 h ILE 39 CO 0.55 0.09 -1.17 -0.33 -3.07 0.00 0.00 178.15 174.23 3a12 h GLU 40 N 0.00 0.06 -0.04 2.19 3.07 -1.98 -0.50 114.58 117.38 3a12 h GLU 40 Ca -0.00 -0.10 -0.13 0.00 -0.50 0.00 0.00 59.36 58.63 3a12 h GLU 40 Cb 0.33 0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.27 3a12 h GLU 40 CO 0.01 0.98 -0.56 1.96 -1.40 0.00 0.00 179.01 180.00 3a12 h GLN 41 N 0.02 0.12 0.07 2.33 4.20 -1.82 -0.27 115.11 119.76 3a12 h GLN 41 Ca -0.08 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.55 3a12 h GLN 41 Cb 1.85 0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.64 3a12 h GLN 41 CO 0.14 0.65 -0.04 0.00 -0.67 0.00 0.00 178.83 178.91 3a12 h ALA 42 N 1.34 -0.10 -0.99 3.87 0.00 -1.30 -3.05 119.26 119.03 3a12 h ALA 42 Ca -0.00 -0.27 0.04 0.00 0.00 0.00 0.00 54.91 54.68 3a12 h ALA 42 Cb 1.01 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.78 3a12 h ALA 42 CO 0.08 -0.15 0.64 0.00 0.00 0.00 0.00 179.25 179.82 3a12 h ALA 43 N -0.29 1.37 -0.66 0.00 0.00 -1.16 -1.04 119.26 117.48 3a12 h ALA 43 Ca -0.01 -0.04 0.13 0.00 0.00 0.00 0.00 54.91 54.99 3a12 h ALA 43 Cb 0.58 -0.34 -0.10 0.00 0.00 0.00 0.00 17.79 17.93 3a12 h ALA 43 CO 0.02 0.52 0.15 0.78 0.00 0.00 0.00 179.25 180.71 3a12 h GLY 44 N 1.22 0.87 1.55 0.00 0.00 -1.13 -1.24 103.07 104.34 3a12 h GLY 44 Ca 0.40 -0.03 -0.16 0.00 0.00 0.00 0.00 47.33 47.54 3a12 h GLY 44 CO -0.13 -0.15 -0.59 0.00 0.00 0.00 0.00 176.54 175.67 3a12 h ALA 45 N 1.53 0.71 0.23 3.60 0.00 -1.14 -1.46 119.26 122.74 3a12 h ALA 45 Ca 0.36 -0.53 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 3a12 h ALA 45 Cb 0.56 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3a12 h ALA 45 CO -0.45 0.70 -0.11 0.28 0.00 0.00 0.00 179.25 179.68 3a12 h VAL 46 N 0.35 0.84 0.10 0.00 2.07 -0.65 -0.38 116.25 118.58 3a12 h VAL 46 Ca -0.00 -0.38 0.01 0.00 0.82 0.00 0.00 66.70 67.14 3a12 h VAL 46 Cb 1.12 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 3a12 h VAL 46 CO 0.10 0.09 -0.11 0.00 0.02 0.00 0.00 177.57 177.67 3a12 h ALA 47 N 0.23 -0.21 -0.05 1.67 0.00 -1.29 -1.16 119.26 118.44 3a12 h ALA 47 Ca -0.03 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.88 3a12 h ALA 47 Cb 0.37 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 3a12 h ALA 47 CO 0.05 -0.64 -0.13 0.00 0.00 0.00 0.00 179.25 178.53 3a12 h ALA 48 N 0.64 -0.11 0.00 0.00 0.00 -1.24 -2.31 119.26 116.23 3a12 h ALA 48 Ca 0.01 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3a12 h ALA 48 Cb 0.24 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3a12 h ALA 48 CO -0.04 -0.61 0.00 0.39 0.00 0.00 0.00 179.25 178.99 3a12 n GLU 49 N -5.27 0.23 -0.30 0.00 -0.58 -0.16 0.18 120.64 114.74 3a12 n GLU 49 Ca -0.04 0.29 0.12 0.00 -0.42 0.00 0.00 57.16 57.11 3a12 n GLU 49 Cb 0.19 -1.82 0.28 0.00 -0.57 0.00 0.00 31.44 29.52 3a12 n GLU 49 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 3a12 n SER 50 N -2.23 3.67 0.00 1.62 3.41 -0.44 -4.81 113.62 114.84 3a12 n SER 50 Ca 0.04 -1.99 0.00 0.00 -0.26 0.00 0.00 58.87 56.66 3a12 n SER 50 Cb 0.35 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 63.90 3a12 n SER 50 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3a12 n SER 51 N 1.54 0.00 -0.43 4.04 3.41 -0.90 -4.49 113.62 116.80 3a12 n SER 51 Ca 0.22 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.87 3a12 n SER 51 Cb 0.60 0.00 0.09 0.00 -0.26 0.00 0.00 64.21 64.64 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 0.63 -1.16 6.66 -2.24 -1.14 -5.05 114.28 111.98 3a12 n THR 52 Ca 0.00 -0.81 -0.20 0.00 -2.27 0.00 0.00 64.05 60.76 3a12 n THR 52 Cb 0.00 0.75 0.16 0.00 -2.10 0.00 0.00 70.33 69.14 3a12 n THR 52 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3a12 n GLY 53 N 0.34 -2.19 3.62 3.38 0.00 0.47 -5.01 105.19 105.80 3a12 n GLY 53 Ca 0.07 -1.56 -0.07 0.00 0.00 0.00 0.00 46.02 44.46 3a12 n GLY 53 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3a12 s THR 54 N -2.60 0.00 -0.73 2.61 -1.32 -1.26 -4.80 115.64 107.54 3a12 s THR 54 Ca 0.50 0.00 0.23 0.00 -1.21 0.00 0.00 61.69 61.21 3a12 s THR 54 Cb -0.03 -1.00 0.23 0.00 -1.51 0.00 0.00 72.50 70.19 3a12 s THR 54 CO 0.37 0.00 1.71 -2.67 -2.21 0.00 0.00 174.62 171.82 3a12 n TRP 55 N 1.41 0.56 -4.56 9.09 4.27 -1.26 -4.76 117.44 122.18 3a12 n TRP 55 Ca -0.10 0.19 -0.26 0.00 -3.89 0.00 0.00 57.50 53.45 3a12 n TRP 55 Cb 0.57 -0.81 -0.06 0.00 -1.36 0.00 0.00 31.31 29.65 3a12 n TRP 55 CO 0.00 0.00 0.00 -2.37 -2.29 0.00 0.00 177.69 173.03 3a12 n THR 56 N -1.99 0.00 0.00 -1.67 5.66 -1.26 -5.00 114.28 110.02 3a12 n THR 56 Ca 0.04 -2.10 0.00 0.00 -3.05 0.00 0.00 64.05 58.94 3a12 n THR 56 Cb 0.29 0.57 0.00 0.00 -1.55 0.00 0.00 70.33 69.64 3a12 n THR 56 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 3a12 n THR 57 N -0.98 0.00 -2.70 1.09 5.66 -1.26 -5.05 114.28 111.04 3a12 n THR 57 Ca -0.13 0.00 -0.06 0.00 -3.05 0.00 0.00 64.05 60.81 3a12 n THR 57 Cb 0.55 0.00 0.07 0.00 -1.55 0.00 0.00 70.33 69.40 3a12 n THR 57 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3a12 n TYR 59 N 0.00 -1.79 -0.57 1.09 4.19 -1.26 -5.18 117.16 113.64 3a12 n TYR 59 Ca 0.00 -1.21 -0.16 0.00 3.31 0.00 0.00 57.90 59.84 3a12 n TYR 59 Cb 0.00 1.32 -0.06 0.00 0.49 0.00 0.00 39.34 41.10 3a12 n TYR 59 CO 0.00 0.00 0.00 -2.30 0.91 0.00 0.00 176.86 175.47 3a12 n PRO 60 N 1.40 0.00 0.00 2.98 -0.02 -1.26 -4.67 135.00 133.43 3a12 n PRO 60 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.52 3a12 n PRO 60 Cb 0.68 -0.57 0.00 0.00 -0.02 0.00 0.00 33.50 33.59 3a12 n PRO 60 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 3a12 n TRP 61 N 3.96 0.00 -4.14 6.00 4.27 -1.26 -5.07 117.44 121.20 3a12 n TRP 61 Ca 0.25 -0.28 -0.09 0.00 -3.89 0.00 0.00 57.50 53.49 3a12 n TRP 61 Cb 0.01 -0.03 -0.10 0.00 -1.36 0.00 0.00 31.31 29.83 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 -0.55 0.80 -0.39 -2.67 -0.85 -1.26 -5.10 117.35 107.32 3a12 s TYR 62 Ca 0.00 -1.14 -0.28 0.00 -0.52 0.00 0.00 57.07 55.12 3a12 s TYR 62 Cb 0.00 -0.48 -0.01 0.00 0.38 0.00 0.00 41.96 41.85 3a12 s TYR 62 CO 0.00 -0.42 1.65 -2.00 -1.52 0.00 0.00 175.55 173.26 3a12 s GLU 63 N -3.98 3.36 0.22 -3.49 2.12 -1.26 -4.88 118.70 110.78 3a12 s GLU 63 Ca 0.18 1.14 -0.07 0.00 0.36 0.00 0.00 54.97 56.58 3a12 s GLU 63 Cb 0.07 -4.15 0.34 0.00 0.26 0.00 0.00 34.13 30.66 3a12 s GLU 63 CO -0.02 -1.83 1.75 0.37 -0.54 0.00 0.00 175.26 174.98 3a12 h GLN 64 N 12.20 0.44 -1.00 4.30 5.75 -1.99 -1.85 115.11 132.98 3a12 h GLN 64 Ca -0.31 -0.03 0.08 0.00 -0.15 0.00 0.00 58.65 58.25 3a12 h GLN 64 Cb 1.14 -0.10 -0.07 0.00 1.07 0.00 0.00 27.48 29.52 3a12 h GLN 64 CO 1.07 0.29 0.64 0.93 -2.65 0.00 0.00 178.83 179.12 3a12 h GLU 65 N 0.46 1.09 0.01 1.69 5.08 -1.99 0.39 114.58 121.31 3a12 h GLU 65 Ca 0.35 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.64 3a12 h GLU 65 Cb 0.45 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.46 3a12 h GLU 65 CO -0.33 0.72 -0.01 -0.09 -1.00 0.00 0.00 179.01 178.31 3a12 h ARG 66 N 1.13 -0.01 -0.26 2.33 2.43 -1.76 -0.65 114.38 117.58 3a12 h ARG 66 Ca 0.45 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.68 3a12 h ARG 66 Cb 0.24 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.73 3a12 h ARG 66 CO -0.19 0.41 -0.13 2.35 -1.51 0.00 0.00 179.97 180.89 3a12 h TRP 67 N -0.44 -0.31 -0.91 2.20 7.01 -0.85 -0.85 115.95 121.79 3a12 h TRP 67 Ca -0.00 0.03 0.01 0.00 2.11 0.00 0.00 58.89 61.04 3a12 h TRP 67 Cb 0.43 0.18 -0.05 0.00 -2.10 0.00 0.00 29.16 27.62 3a12 h TRP 67 CO 0.07 -0.20 0.60 0.00 -2.79 0.00 0.00 178.44 176.13 3a12 h ALA 68 N 1.11 1.15 0.00 2.65 0.00 -0.25 -2.56 119.26 121.36 3a12 h ALA 68 Ca 0.14 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3a12 h ALA 68 Cb 0.30 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3a12 h ALA 68 CO -0.32 0.55 -0.18 0.22 0.00 0.00 0.00 179.25 179.53 3a12 h ASP 69 N 1.23 0.00 0.01 0.00 3.58 -0.16 -2.96 116.42 118.13 3a12 h ASP 69 Ca 0.33 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.78 3a12 h ASP 69 Cb -0.14 0.00 0.00 0.00 1.72 0.00 0.00 39.33 40.91 3a12 h ASP 69 CO -0.07 0.18 -0.44 0.18 -2.88 0.00 0.00 179.24 176.21 3a12 n LEU 70 N -3.54 1.95 -4.75 2.28 4.77 -0.42 -4.86 117.00 112.43 3a12 n LEU 70 Ca -0.01 -0.71 -0.40 0.00 -0.03 0.00 0.00 56.01 54.86 3a12 n LEU 70 Cb 0.33 -0.01 -0.05 0.00 -2.33 0.00 0.00 43.42 41.35 3a12 n LEU 70 CO 0.32 0.36 0.71 -0.44 -1.33 0.00 0.00 177.39 177.01 3a12 s SER 71 N -2.46 7.49 0.60 -1.43 0.01 -1.01 -4.71 113.70 112.17 3a12 s SER 71 Ca 0.19 2.08 -0.14 0.00 1.31 0.00 0.00 55.95 59.39 3a12 s SER 71 Cb 0.18 -2.62 -0.04 0.00 0.21 0.00 0.00 66.02 63.76 3a12 s SER 71 CO 0.56 0.03 1.03 0.00 0.41 0.00 0.00 173.24 175.27 3a12 s ALA 72 N -1.13 2.88 -0.14 1.44 0.00 -1.26 -4.77 121.76 118.78 3a12 s ALA 72 Ca 0.43 0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.59 3a12 s ALA 72 Cb -0.28 -3.16 0.02 0.00 0.00 0.00 0.00 23.12 19.69 3a12 s ALA 72 CO 0.36 -0.71 -0.13 0.15 0.00 0.00 0.00 175.76 175.42 3a12 s LYS 73 N -4.44 2.19 -0.61 0.00 -0.14 0.39 -4.76 119.74 112.37 3a12 s LYS 73 Ca 0.60 -0.52 -0.28 0.00 -1.36 0.00 0.00 55.97 54.41 3a12 s LYS 73 Cb -0.13 -2.03 0.03 0.00 -1.68 0.00 0.00 37.83 34.02 3a12 s LYS 73 CO 0.41 -0.23 1.28 0.00 -0.76 0.00 0.00 175.35 176.05 3a12 s ALA 74 N 1.49 2.88 -0.06 5.17 0.00 0.14 -0.87 121.76 130.52 3a12 s ALA 74 Ca 0.04 -0.91 0.03 0.00 0.00 0.00 0.00 51.96 51.12 3a12 s ALA 74 Cb -0.13 -4.11 -0.05 0.00 0.00 0.00 0.00 23.12 18.83 3a12 s ALA 74 CO -0.10 -2.90 -0.02 2.48 0.00 0.00 0.00 175.76 175.22 3a12 n TYR 75 N 9.01 0.00 -4.69 0.00 0.18 -0.90 0.03 117.16 120.79 3a12 n TYR 75 Ca 0.08 0.00 -0.33 0.00 1.88 0.00 0.00 57.90 59.53 3a12 n TYR 75 Cb 0.49 -0.25 -0.15 0.00 -0.38 0.00 0.00 39.34 39.05 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 -4.11 3.80 0.40 9.48 2.15 -1.22 -4.16 116.67 123.02 3a12 s ASP 76 Ca -0.05 -0.41 0.07 0.00 0.43 0.00 0.00 52.55 52.59 3a12 s ASP 76 Cb 0.02 -1.58 -0.07 0.00 -0.30 0.00 0.00 42.92 40.99 3a12 s ASP 76 CO 0.18 0.13 0.07 -0.36 -0.17 0.00 0.00 175.17 175.02 3a12 s PHE 77 N 0.57 2.55 -0.30 -5.34 0.08 -1.26 -1.22 117.98 113.06 3a12 s PHE 77 Ca -0.09 -0.61 -0.16 0.00 0.12 0.00 0.00 56.93 56.20 3a12 s PHE 77 Cb -0.16 -1.80 0.18 0.00 -0.57 0.00 0.00 43.02 40.66 3a12 s PHE 77 CO 0.04 0.35 1.16 -1.58 -0.10 0.00 0.00 175.22 175.09 3a12 s HIS 78 N -2.64 -0.21 -0.25 0.36 5.65 -1.07 -4.94 115.29 112.18 3a12 s HIS 78 Ca 0.37 0.17 -0.29 0.00 0.25 0.00 0.00 55.06 55.57 3a12 s HIS 78 Cb 0.06 0.06 -0.02 0.00 -1.18 0.00 0.00 32.58 31.50 3a12 s HIS 78 CO 0.20 -0.12 1.56 0.34 -0.65 0.00 0.00 174.74 176.07 3a12 s ASP 79 N 2.98 6.39 0.44 9.88 -1.08 -1.26 -1.42 116.67 132.59 3a12 s ASP 79 Ca 0.09 1.48 0.24 0.00 -0.52 0.00 0.00 52.55 53.84 3a12 s ASP 79 Cb -0.05 -2.53 0.82 0.00 -1.46 0.00 0.00 42.92 39.69 3a12 s ASP 79 CO -0.14 -1.27 1.78 0.24 0.52 0.00 0.00 175.17 176.29 3a12 h MET 80 N 10.64 0.00 0.00 4.34 2.86 -1.51 -3.48 114.93 127.79 3a12 h MET 80 Ca -0.32 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.32 3a12 h MET 80 Cb 1.14 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.80 3a12 h MET 80 CO 1.01 0.20 0.00 0.41 1.06 0.00 0.00 176.91 179.60 3a12 n GLY 81 N 0.37 2.21 1.03 8.32 0.00 -1.26 -4.87 105.19 111.00 3a12 n GLY 81 Ca 0.01 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.12 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 0.00 3.01 0.00 1.61 5.68 -1.26 -4.86 116.55 120.72 3a12 n ASP 82 Ca 0.00 -1.99 0.00 0.00 -0.50 0.00 0.00 54.79 52.30 3a12 n ASP 82 Cb 0.00 -0.36 0.00 0.00 -1.14 0.00 0.00 41.12 39.62 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 1.40 1.36 3.99 6.12 0.00 -1.26 -5.08 105.19 111.71 3a12 n GLY 83 Ca 0.19 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.67 5.75 -0.06 1.61 1.04 -1.26 -4.26 113.70 114.85 3a12 s SER 84 Ca 0.00 -0.12 -0.03 0.00 0.48 0.00 0.00 55.95 56.27 3a12 s SER 84 Cb 0.00 -1.08 0.03 0.00 0.10 0.00 0.00 66.02 65.07 3a12 s SER 84 CO 0.00 -0.69 0.14 0.26 0.98 0.00 0.00 173.24 173.94 3a12 s TRP 85 N -2.39 -0.16 -0.48 5.02 0.51 0.35 -1.17 118.94 120.62 3a12 s TRP 85 Ca 0.50 0.45 -0.24 0.00 -2.12 0.00 0.00 56.10 54.69 3a12 s TRP 85 Cb -0.10 -0.04 0.03 0.00 -0.81 0.00 0.00 33.47 32.56 3a12 s TRP 85 CO 0.34 -0.14 0.88 0.42 -0.51 0.00 0.00 176.95 177.95 3a12 s ILE 86 N 0.81 4.51 -0.05 2.03 -1.09 -0.51 0.12 121.20 127.02 3a12 s ILE 86 Ca -0.06 0.53 0.06 0.00 -2.23 0.00 0.00 60.65 58.95 3a12 s ILE 86 Cb -0.08 -4.42 -0.01 0.00 -1.58 0.00 0.00 42.46 36.36 3a12 s ILE 86 CO -0.04 -0.87 -0.24 0.54 -1.23 0.00 0.00 174.94 173.10 3a12 s VAL 87 N 3.65 1.96 -0.13 2.92 0.11 0.24 -2.61 120.40 126.54 3a12 s VAL 87 Ca 0.33 -1.03 -0.08 0.00 -2.93 0.00 0.00 61.98 58.27 3a12 s VAL 87 Cb -0.11 -1.65 -0.04 0.00 -1.53 0.00 0.00 36.38 33.04 3a12 s VAL 87 CO 0.24 0.55 0.16 -0.13 -3.33 0.00 0.00 175.10 172.58 3a12 s ARG 88 N -0.25 3.63 -0.08 1.54 0.52 -0.36 -1.10 118.95 122.85 3a12 s ARG 88 Ca -0.00 -0.11 0.03 0.00 -0.52 0.00 0.00 55.73 55.14 3a12 s ARG 88 Cb -0.12 -3.24 0.01 0.00 0.52 0.00 0.00 34.95 32.11 3a12 s ARG 88 CO 0.02 0.67 -0.18 0.42 0.02 0.00 0.00 175.30 176.25 3a12 s ILE 89 N -0.74 1.59 -0.18 1.52 1.01 -0.21 -2.12 121.20 122.08 3a12 s ILE 89 Ca 0.14 -0.75 -0.08 0.00 0.00 0.00 0.00 60.65 59.96 3a12 s ILE 89 Cb -0.12 -1.40 -0.04 0.00 0.01 0.00 0.00 42.46 40.90 3a12 s ILE 89 CO 0.03 0.46 0.11 0.00 0.00 0.00 0.00 174.94 175.54 3a12 s ALA 90 N 0.46 3.62 -0.07 9.38 0.00 -0.04 -1.22 121.76 133.88 3a12 s ALA 90 Ca -0.16 -0.70 0.03 0.00 0.00 0.00 0.00 51.96 51.13 3a12 s ALA 90 Cb -0.17 -2.03 0.01 0.00 0.00 0.00 0.00 23.12 20.94 3a12 s ALA 90 CO 0.06 0.27 -0.16 0.71 0.00 0.00 0.00 175.76 176.64 3a12 s TYR 91 N 0.06 1.80 0.11 0.00 2.02 0.18 -0.46 117.35 121.06 3a12 s TYR 91 Ca 0.08 -0.68 -0.30 0.00 -0.37 0.00 0.00 57.07 55.80 3a12 s TYR 91 Cb -0.12 -1.26 -0.06 0.00 -0.40 0.00 0.00 41.96 40.12 3a12 s TYR 91 CO -0.00 -0.31 1.16 -1.25 -1.57 0.00 0.00 175.55 173.58 3a12 s PRO 92 N 0.51 4.50 0.53 -1.71 0.04 -1.26 0.13 135.00 137.73 3a12 s PRO 92 Ca -0.15 1.75 0.25 0.00 0.04 0.00 0.00 61.00 62.90 3a12 s PRO 92 Cb -0.16 -3.32 1.39 0.00 0.04 0.00 0.00 34.50 32.46 3a12 s PRO 92 CO 0.05 -0.12 1.99 0.27 0.04 0.00 0.00 177.00 179.23 3a12 h PHE 93 N 6.04 0.02 0.00 0.56 -5.15 -1.64 0.74 116.94 117.51 3a12 h PHE 93 Ca -0.43 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.34 3a12 h PHE 93 Cb 1.21 -0.01 0.00 0.00 0.22 0.00 0.00 35.95 37.38 3a12 h PHE 93 CO 0.65 0.01 0.00 -2.39 -2.00 0.00 0.00 178.31 174.57 3a12 n HIS 94 N -4.37 0.00 0.22 6.09 1.44 -1.26 -2.20 115.22 115.14 3a12 n HIS 94 Ca 0.11 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.93 3a12 n HIS 94 Cb 0.63 0.00 0.31 0.00 0.12 0.00 0.00 29.99 31.05 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 3.30 0.96 -3.43 1.59 0.00 -1.18 -3.46 119.26 117.04 3a12 h ALA 95 Ca 0.00 -0.08 -0.66 0.00 0.00 0.00 0.00 54.91 54.17 3a12 h ALA 95 Cb 0.00 -0.01 -0.14 0.00 0.00 0.00 0.00 17.79 17.63 3a12 h ALA 95 CO 0.00 0.11 -0.67 -0.06 0.00 0.00 0.00 179.25 178.63 3a12 s PHE 96 N -3.34 2.99 0.28 0.00 0.08 -0.94 -5.09 117.98 111.96 3a12 s PHE 96 Ca 0.04 0.01 -0.30 0.00 0.12 0.00 0.00 56.93 56.80 3a12 s PHE 96 Cb 0.07 -1.61 -0.12 0.00 -0.57 0.00 0.00 43.02 40.79 3a12 s PHE 96 CO 0.64 0.44 1.58 -1.91 -0.10 0.00 0.00 175.22 175.87 3a12 n GLU 97 N 1.17 2.60 -2.19 0.44 2.13 -1.26 -4.95 120.64 118.58 3a12 n GLU 97 Ca -0.14 0.93 -0.39 0.00 0.66 0.00 0.00 57.16 58.22 3a12 n GLU 97 Cb 0.52 -2.69 -0.02 0.00 0.27 0.00 0.00 31.44 29.52 3a12 n GLU 97 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 3a12 s GLU 98 N -0.37 4.14 -1.40 5.31 2.02 -1.26 -3.24 118.70 123.90 3a12 s GLU 98 Ca 0.65 2.02 -0.05 0.00 0.02 0.00 0.00 54.97 57.61 3a12 s GLU 98 Cb -0.52 -2.83 0.03 0.00 0.10 0.00 0.00 34.13 30.90 3a12 s GLU 98 CO 0.48 -0.30 0.42 0.00 0.02 0.00 0.00 175.26 175.87 3a12 n ALA 99 N 0.34 -0.95 -3.78 5.21 0.00 -1.26 -4.93 120.51 115.14 3a12 n ALA 99 Ca 0.03 0.18 -0.28 0.00 0.00 0.00 0.00 53.44 53.37 3a12 n ALA 99 Cb 0.44 -2.98 -0.11 0.00 0.00 0.00 0.00 19.45 16.80 3a12 n ALA 99 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3a12 n ASN 100 N -2.28 2.27 0.05 0.00 2.85 -1.20 -4.97 115.26 111.97 3a12 n ASN 100 Ca -0.10 -3.03 -0.11 0.00 -0.11 0.00 0.00 54.58 51.23 3a12 n ASN 100 Cb 0.60 -0.71 -0.06 0.00 1.24 0.00 0.00 39.78 40.85 3a12 n ASN 100 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 3a12 h LEU 101 N 5.41 -0.21 -1.00 1.20 5.85 -1.92 -1.38 115.31 123.26 3a12 h LEU 101 Ca 0.18 0.03 0.18 0.00 0.84 0.00 0.00 57.88 59.11 3a12 h LEU 101 Cb 0.78 0.09 -0.11 0.00 0.37 0.00 0.00 40.66 41.80 3a12 h LEU 101 CO 0.64 -0.11 0.61 -0.65 -0.34 0.00 0.00 178.44 178.59 3a12 h PRO 102 N -0.14 0.76 -0.53 5.25 0.11 -1.93 0.11 132.00 135.63 3a12 h PRO 102 Ca 0.03 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 65.99 3a12 h PRO 102 Cb 0.17 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.09 3a12 h PRO 102 CO -0.07 0.50 -0.06 0.78 -0.21 0.00 0.00 178.00 178.94 3a12 h GLY 103 N 0.78 1.03 0.94 -0.55 0.00 -1.83 -2.15 103.07 101.29 3a12 h GLY 103 Ca 0.57 -0.78 -0.00 0.00 0.00 0.00 0.00 47.33 47.12 3a12 h GLY 103 CO -0.37 0.72 0.05 -2.00 0.00 0.00 0.00 176.54 174.93 3a12 h LEU 104 N 0.87 0.11 -1.66 3.11 5.85 0.06 -2.92 115.31 120.72 3a12 h LEU 104 Ca 0.15 -0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.81 3a12 h LEU 104 Cb 0.59 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 3a12 h LEU 104 CO 0.04 0.15 0.25 -0.07 -0.34 0.00 0.00 178.44 178.47 3a12 h LEU 105 N 0.06 0.40 -1.54 2.25 3.38 -0.67 -0.65 115.31 118.53 3a12 h LEU 105 Ca 0.03 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.04 3a12 h LEU 105 Cb 0.07 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 3a12 h LEU 105 CO -0.01 0.28 0.37 0.00 0.09 0.00 0.00 178.44 179.18 3a12 h ALA 106 N 1.77 1.79 0.00 1.53 0.00 -1.19 0.25 119.26 123.40 3a12 h ALA 106 Ca 0.15 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3a12 h ALA 106 Cb 0.02 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 3a12 h ALA 106 CO -0.03 0.14 -0.00 0.77 0.00 0.00 0.00 179.25 180.12 3a12 h SER 107 N 0.58 0.00 0.07 0.00 0.02 -1.14 -3.04 113.55 110.04 3a12 h SER 107 Ca 0.23 -0.70 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 3a12 h SER 107 Cb 0.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.73 3a12 h SER 107 CO -0.06 0.85 -0.12 2.30 -1.14 0.00 0.00 176.83 178.66 3a12 n ILE 108 N -4.66 0.00 -2.72 3.27 -6.64 -0.82 -4.05 119.36 103.74 3a12 n ILE 108 Ca -0.07 -0.23 -0.00 0.00 -1.77 0.00 0.00 62.75 60.67 3a12 n ILE 108 Cb 0.34 0.62 0.06 0.00 -1.44 0.00 0.00 39.64 39.22 3a12 n ILE 108 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3a12 n ALA 109 N -0.00 2.69 -2.22 -1.28 0.00 0.87 -5.01 120.51 115.56 3a12 n ALA 109 Ca 0.15 -2.17 0.00 0.00 0.00 0.00 0.00 53.44 51.42 3a12 n ALA 109 Cb 0.39 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 19.01 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 -0.68 0.74 0.40 0.00 0.00 -1.15 -4.78 105.19 99.72 3a12 n GLY 110 Ca -0.01 0.00 0.22 0.00 0.00 0.00 0.00 46.02 46.23 3a12 n GLY 110 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3a12 h ASN 111 N 0.00 0.00 -0.65 1.61 2.35 -1.88 -3.17 115.58 113.84 3a12 h ASN 111 Ca 0.00 0.00 0.18 0.00 -0.55 0.00 0.00 56.30 55.93 3a12 h ASN 111 Cb 0.00 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.34 3a12 h ASN 111 CO 0.00 0.00 0.46 0.16 -1.65 0.00 0.00 177.43 176.40 3a12 h ILE 112 N 0.00 0.69 0.00 2.81 3.07 -1.89 -1.13 117.51 121.07 3a12 h ILE 112 Ca 0.28 -0.02 0.00 0.00 1.55 0.00 0.00 64.86 66.67 3a12 h ILE 112 Cb 1.17 0.64 0.00 0.00 -0.27 0.00 0.00 36.82 38.35 3a12 h ILE 112 CO -0.00 0.01 0.00 0.49 -1.05 0.00 0.00 178.15 177.60 3a12 n PHE 113 N -4.36 0.65 -0.09 0.16 3.72 -1.20 -2.78 117.46 113.56 3a12 n PHE 113 Ca 0.13 0.28 0.04 0.00 -0.05 0.00 0.00 57.45 57.84 3a12 n PHE 113 Cb 0.69 -0.94 0.11 0.00 -0.94 0.00 0.00 39.48 38.39 3a12 n PHE 113 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3a12 n GLY 114 N -0.35 2.54 3.73 1.37 0.00 -0.43 -4.86 105.19 107.20 3a12 n GLY 114 Ca 0.01 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.34 3a12 n GLY 114 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3a12 s MET 115 N -0.98 4.34 0.25 1.61 -1.94 -1.12 -4.92 119.30 116.54 3a12 s MET 115 Ca 0.17 2.12 -0.03 0.00 -1.71 0.00 0.00 55.69 56.24 3a12 s MET 115 Cb 0.09 -3.19 0.29 0.00 2.01 0.00 0.00 34.83 34.03 3a12 s MET 115 CO 0.12 -0.35 1.72 0.87 -0.01 0.00 0.00 175.02 177.37 3a12 h LYS 116 N 5.73 0.79 0.00 2.03 1.57 -1.95 -2.91 116.57 121.83 3a12 h LYS 116 Ca -0.44 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.10 3a12 h LYS 116 Cb 1.21 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.45 3a12 h LYS 116 CO 0.80 0.84 0.00 2.89 -0.57 0.00 0.00 179.45 183.41 3a12 n ARG 117 N -4.19 0.37 -4.38 3.15 1.85 -1.26 -4.41 116.66 107.79 3a12 n ARG 117 Ca 0.02 0.07 -0.25 0.00 -1.00 0.00 0.00 57.85 56.69 3a12 n ARG 117 Cb 0.34 -1.50 -0.10 0.00 -1.05 0.00 0.00 32.46 30.15 3a12 n ARG 117 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 177.63 177.76 3a12 s VAL 118 N -2.26 2.82 -0.03 8.89 -7.23 -1.10 -2.42 120.40 119.08 3a12 s VAL 118 Ca 0.19 -2.06 0.09 0.00 -1.81 0.00 0.00 61.98 58.39 3a12 s VAL 118 Cb 0.10 -2.45 -0.14 0.00 0.56 0.00 0.00 36.38 34.46 3a12 s VAL 118 CO 0.20 -0.28 0.21 1.17 -0.31 0.00 0.00 175.10 176.10 3a12 n LYS 119 N -0.36 0.42 -3.74 4.82 4.81 0.33 -4.56 118.16 119.87 3a12 n LYS 119 Ca -0.08 -0.08 -0.12 0.00 -0.87 0.00 0.00 58.31 57.16 3a12 n LYS 119 Cb 0.58 -1.21 -0.12 0.00 0.02 0.00 0.00 35.03 34.31 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 -3.01 -0.22 -0.19 3.14 0.00 -0.83 -4.99 107.32 101.23 3a12 s GLY 120 Ca -0.03 1.01 -0.04 0.00 0.00 0.00 0.00 44.72 45.66 3a12 s GLY 120 CO 0.38 1.05 0.22 -2.27 0.00 0.00 0.00 173.10 172.48 3a12 s LEU 121 N 0.70 -0.11 -0.14 0.66 2.96 -1.03 -1.07 118.68 120.66 3a12 s LEU 121 Ca -0.04 -0.12 0.02 0.00 -0.22 0.00 0.00 54.13 53.76 3a12 s LEU 121 Cb -0.06 0.38 0.00 0.00 0.50 0.00 0.00 46.19 47.02 3a12 s LEU 121 CO -0.04 -0.31 -0.19 -0.60 -1.32 0.00 0.00 176.35 173.88 3a12 s ARG 122 N 2.33 3.12 -0.52 1.98 3.52 -0.65 -1.35 118.95 127.37 3a12 s ARG 122 Ca 0.06 -0.81 -0.29 0.00 -0.13 0.00 0.00 55.73 54.56 3a12 s ARG 122 Cb -0.15 -2.50 0.03 0.00 -1.56 0.00 0.00 34.95 30.77 3a12 s ARG 122 CO -0.11 0.04 1.16 -1.17 -0.81 0.00 0.00 175.30 174.41 3a12 s LEU 123 N 0.72 3.56 -0.04 -0.88 2.96 0.20 -0.59 118.68 124.61 3a12 s LEU 123 Ca -0.08 0.30 -0.05 0.00 -0.22 0.00 0.00 54.13 54.07 3a12 s LEU 123 Cb -0.16 -3.37 -0.28 0.00 0.50 0.00 0.00 46.19 42.88 3a12 s LEU 123 CO 0.01 -1.35 0.70 -0.33 -1.32 0.00 0.00 176.35 174.05 3a12 h GLU 124 N 9.37 0.28 -2.98 1.98 4.39 -0.32 -1.25 114.58 126.05 3a12 h GLU 124 Ca -0.24 -0.47 -0.03 0.00 0.34 0.00 0.00 59.36 58.96 3a12 h GLU 124 Cb 1.06 0.18 -0.13 0.00 -0.10 0.00 0.00 28.75 29.76 3a12 h GLU 124 CO 1.15 1.14 0.15 0.34 -1.16 0.00 0.00 179.01 180.63 3a12 s ASP 125 N -7.01 -0.51 -0.17 1.42 -1.08 -1.18 -4.31 116.67 103.83 3a12 s ASP 125 Ca -0.13 0.01 -0.01 0.00 -0.52 0.00 0.00 52.55 51.90 3a12 s ASP 125 Cb 0.06 0.57 0.04 0.00 -1.46 0.00 0.00 42.92 42.13 3a12 s ASP 125 CO 0.84 -0.90 -0.04 -0.76 0.52 0.00 0.00 175.17 174.83 3a12 s LEU 126 N -2.59 1.55 -0.19 -1.34 1.43 -1.26 -1.21 118.68 115.08 3a12 s LEU 126 Ca -0.00 -0.68 -0.18 0.00 -1.03 0.00 0.00 54.13 52.24 3a12 s LEU 126 Cb -0.00 -0.86 -0.04 0.00 0.03 0.00 0.00 46.19 45.32 3a12 s LEU 126 CO -0.10 -0.20 0.48 -0.47 0.23 0.00 0.00 176.35 176.28 3a12 s TYR 127 N 1.67 3.39 -0.20 0.29 5.04 0.12 -4.98 117.35 122.67 3a12 s TYR 127 Ca 0.00 0.73 -0.04 0.00 -2.44 0.00 0.00 57.07 55.32 3a12 s TYR 127 Cb -0.16 -2.61 -0.02 0.00 0.35 0.00 0.00 41.96 39.52 3a12 s TYR 127 CO -0.07 -0.05 -0.03 -0.06 -1.34 0.00 0.00 175.55 174.00 3a12 s PHE 128 N 1.44 2.98 0.78 4.97 0.08 -1.26 -2.51 117.98 124.46 3a12 s PHE 128 Ca 0.23 -0.65 -0.11 0.00 0.12 0.00 0.00 56.93 56.51 3a12 s PHE 128 Cb -0.15 -2.06 0.07 0.00 -0.57 0.00 0.00 43.02 40.30 3a12 s PHE 128 CO 0.09 -0.35 1.12 -1.25 -0.10 0.00 0.00 175.22 174.73 3a12 s PRO 129 N 1.10 2.05 0.35 0.24 0.04 -1.26 -4.67 135.00 132.86 3a12 s PRO 129 Ca 0.02 1.33 0.12 0.00 0.04 0.00 0.00 61.00 62.51 3a12 s PRO 129 Cb -0.15 -1.86 0.93 0.00 0.04 0.00 0.00 34.50 33.46 3a12 s PRO 129 CO 0.00 -1.82 1.78 1.49 0.04 0.00 0.00 177.00 178.49 3a12 h GLU 130 N -1.05 0.55 -0.70 4.56 4.81 -1.80 -0.48 114.58 120.46 3a12 h GLU 130 Ca -0.44 -0.03 0.08 0.00 -0.13 0.00 0.00 59.36 58.84 3a12 h GLU 130 Cb 1.25 -0.12 -0.07 0.00 0.63 0.00 0.00 28.75 30.44 3a12 h GLU 130 CO 0.49 0.36 0.37 -0.22 -0.73 0.00 0.00 179.01 179.29 3a12 h LYS 131 N 0.57 0.63 -0.14 1.92 3.64 -1.91 -0.61 116.57 120.67 3a12 h LYS 131 Ca 0.58 -0.04 -0.17 0.00 -1.27 0.00 0.00 60.65 59.75 3a12 h LYS 131 Cb 1.18 -0.14 0.01 0.00 -0.41 0.00 0.00 32.23 32.87 3a12 h LYS 131 CO -0.34 0.41 -0.58 -0.07 -2.27 0.00 0.00 179.45 176.61 3a12 h LEU 132 N 0.64 0.75 -1.13 5.20 4.07 -1.46 -3.07 115.31 120.31 3a12 h LEU 132 Ca 0.34 -0.62 0.21 0.00 0.08 0.00 0.00 57.88 57.89 3a12 h LEU 132 Cb 0.31 -0.22 -0.10 0.00 1.08 0.00 0.00 40.66 41.72 3a12 h LEU 132 CO -0.24 1.25 0.62 0.40 -1.08 0.00 0.00 178.44 179.39 3a12 h ILE 133 N 0.30 0.65 -0.00 1.22 1.08 -0.71 -0.05 117.51 120.00 3a12 h ILE 133 Ca -0.03 -0.22 0.00 0.00 -0.39 0.00 0.00 64.86 64.22 3a12 h ILE 133 Cb 1.21 -0.04 0.00 0.00 -3.07 0.00 0.00 36.82 34.92 3a12 h ILE 133 CO 0.12 0.12 -0.03 0.54 -0.69 0.00 0.00 178.15 178.21 3a12 n ARG 134 N -4.72 0.41 0.00 2.37 1.74 -0.30 -2.35 116.66 113.81 3a12 n ARG 134 Ca 0.24 -0.03 0.16 0.00 -0.77 0.00 0.00 57.85 57.44 3a12 n ARG 134 Cb 0.66 -1.50 0.89 0.00 -1.02 0.00 0.00 32.46 31.49 3a12 n ARG 134 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3a12 n GLU 135 N -1.26 0.85 -4.25 5.56 1.02 -0.03 -4.82 120.64 117.71 3a12 n GLU 135 Ca 0.13 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 57.01 3a12 n GLU 135 Cb 0.26 -1.50 -0.09 0.00 -0.02 0.00 0.00 31.44 30.09 3a12 n GLU 135 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 3a12 s PHE 136 N -2.14 2.74 -0.12 -0.32 0.08 -0.99 -4.90 117.98 112.32 3a12 s PHE 136 Ca 0.43 -0.18 0.19 0.00 0.12 0.00 0.00 56.93 57.49 3a12 s PHE 136 Cb 0.21 -1.33 -0.24 0.00 -0.57 0.00 0.00 43.02 41.09 3a12 s PHE 136 CO 0.39 0.51 0.47 -0.25 -0.10 0.00 0.00 175.22 176.24 3a12 n ASP 137 N -0.02 0.28 -1.01 1.36 8.00 -1.25 -5.01 116.55 118.90 3a12 n ASP 137 Ca -0.10 0.12 0.12 0.00 0.71 0.00 0.00 54.79 55.64 3a12 n ASP 137 Cb 0.55 1.11 -0.03 0.00 -0.02 0.00 0.00 41.12 42.73 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 1.45 -1.88 3.58 0.44 0.00 -0.52 -4.71 105.19 103.54 3a12 n GLY 138 Ca -0.14 -1.23 -0.43 0.00 0.00 0.00 0.00 46.02 44.21 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 -3.08 1.27 0.11 1.61 -0.02 -1.24 -4.35 135.00 129.29 3a12 n PRO 139 Ca 0.01 0.45 0.09 0.00 -2.02 0.00 0.00 63.50 62.03 3a12 n PRO 139 Cb 0.41 -1.90 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 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 1.66 0.58 0.00 3.55 0.00 -1.88 -3.41 119.26 119.76 3a12 h ALA 140 Ca -0.42 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.24 3a12 h ALA 140 Cb 1.35 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 3a12 h ALA 140 CO 0.58 0.17 -1.30 1.19 0.00 0.00 0.00 179.25 179.89 3a12 n PHE 141 N -2.77 0.00 -1.80 0.00 3.72 -1.26 -4.94 117.46 110.40 3a12 n PHE 141 Ca -0.01 0.00 0.16 0.00 -0.05 0.00 0.00 57.45 57.55 3a12 n PHE 141 Cb 0.60 -0.20 -0.04 0.00 -0.94 0.00 0.00 39.48 38.91 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 2.68 -1.81 0.33 1.37 0.00 -1.26 0.40 105.19 106.89 3a12 n GLY 142 Ca -0.11 -1.16 0.17 0.00 0.00 0.00 0.00 46.02 44.92 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 -1.08 0.43 -0.20 -0.61 2.04 -1.00 -1.25 117.51 115.85 3a12 h ILE 143 Ca 0.02 -0.14 -0.13 0.00 1.00 0.00 0.00 64.86 65.61 3a12 h ILE 143 Cb 1.07 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 3a12 h ILE 143 CO 0.01 0.08 -0.39 -0.33 0.00 0.00 0.00 178.15 177.51 3a12 h GLU 144 N 0.42 0.61 -0.63 2.37 5.08 -1.83 -0.47 114.58 120.12 3a12 h GLU 144 Ca 0.63 -0.40 -0.06 0.00 -1.00 0.00 0.00 59.36 58.53 3a12 h GLU 144 Cb 1.26 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.54 3a12 h GLU 144 CO -0.54 1.01 0.17 0.78 -1.00 0.00 0.00 179.01 179.43 3a12 h GLY 145 N 0.29 1.08 1.28 -3.84 0.00 0.49 -1.05 103.07 101.32 3a12 h GLY 145 Ca 0.01 -0.66 -0.21 0.00 0.00 0.00 0.00 47.33 46.47 3a12 h GLY 145 CO 0.09 0.62 -0.72 -2.08 0.00 0.00 0.00 176.54 174.44 3a12 h VAL 146 N 0.92 1.30 -0.60 4.60 2.07 -1.21 0.14 116.25 123.46 3a12 h VAL 146 Ca 0.20 -1.96 -0.04 0.00 0.82 0.00 0.00 66.70 65.72 3a12 h VAL 146 Cb 0.33 1.94 -0.03 0.00 -1.52 0.00 0.00 31.29 32.01 3a12 h VAL 146 CO -0.00 0.62 0.20 0.03 0.02 0.00 0.00 177.57 178.43 3a12 h ARG 147 N 0.51 0.90 -0.27 1.57 3.08 -1.06 -1.46 114.38 117.65 3a12 h ARG 147 Ca -0.03 -0.16 -0.08 0.00 0.07 0.00 0.00 59.98 59.78 3a12 h ARG 147 Cb 1.33 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 31.23 3a12 h ARG 147 CO 0.14 0.77 -0.13 0.87 -1.07 0.00 0.00 179.97 180.56 3a12 h LYS 148 N 0.88 0.56 -0.46 0.04 1.79 -1.01 0.41 116.57 118.77 3a12 h LYS 148 Ca 0.20 -0.24 0.07 0.00 -2.18 0.00 0.00 60.65 58.50 3a12 h LYS 148 Cb 0.24 -0.02 -0.06 0.00 -1.58 0.00 0.00 32.23 30.81 3a12 h LYS 148 CO -0.01 0.81 0.13 1.98 -1.08 0.00 0.00 179.45 181.27 3a12 h MET 149 N 0.30 0.27 0.00 3.15 1.85 -0.54 -3.01 114.93 116.95 3a12 h MET 149 Ca 0.06 -0.02 0.00 0.00 -0.61 0.00 0.00 59.70 59.13 3a12 h MET 149 Cb 0.63 -0.06 0.00 0.00 0.43 0.00 0.00 31.60 32.60 3a12 h MET 149 CO 0.04 0.18 -0.84 1.28 -0.40 0.00 0.00 176.91 177.17 3a12 n LEU 150 N -5.06 0.63 -3.29 3.39 4.77 -0.57 -4.95 117.00 111.93 3a12 n LEU 150 Ca 0.04 -0.02 -0.16 0.00 -0.03 0.00 0.00 56.01 55.85 3a12 n LEU 150 Cb 0.20 -0.14 0.08 0.00 -2.33 0.00 0.00 43.42 41.24 3a12 n LEU 150 CO 0.23 0.06 0.10 -0.62 -1.33 0.00 0.00 177.39 175.83 3a12 n GLU 151 N -1.84 -5.86 -3.86 3.23 1.02 0.14 -4.44 120.64 109.03 3a12 n GLU 151 Ca 0.03 0.81 -0.30 0.00 -0.02 0.00 0.00 57.16 57.68 3a12 n GLU 151 Cb 0.40 -5.68 -0.15 0.00 -0.02 0.00 0.00 31.44 26.00 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 -3.34 1.66 0.06 -3.67 1.01 -0.91 -5.03 121.20 110.99 3a12 s ILE 152 Ca 0.04 -2.12 -0.22 0.00 0.00 0.00 0.00 60.65 58.35 3a12 s ILE 152 Cb -0.01 -2.22 -0.13 0.00 0.01 0.00 0.00 42.46 40.11 3a12 s ILE 152 CO 0.69 -0.69 1.56 0.07 0.00 0.00 0.00 174.94 176.57 3a12 h LYS 153 N 7.55 0.16 0.00 2.79 5.09 -1.95 -3.43 116.57 126.78 3a12 h LYS 153 Ca -0.08 -0.04 0.00 0.00 0.09 0.00 0.00 60.65 60.63 3a12 h LYS 153 Cb 0.99 -0.02 0.00 0.00 0.10 0.00 0.00 32.23 33.30 3a12 h LYS 153 CO 0.51 0.32 -0.60 -0.25 -2.09 0.00 0.00 179.45 177.34 3a12 n ASP 154 N -4.89 2.49 -4.80 7.07 8.00 -1.26 -5.07 116.55 118.10 3a12 n ASP 154 Ca -0.06 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.12 3a12 n ASP 154 Cb 0.14 0.04 0.03 0.00 -0.02 0.00 0.00 41.12 41.31 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 -1.60 3.08 0.60 -1.24 1.70 -1.26 -4.64 118.95 115.59 3a12 s ARG 155 Ca 0.00 1.21 -0.20 0.00 -0.47 0.00 0.00 55.73 56.27 3a12 s ARG 155 Cb 0.00 -2.00 -0.03 0.00 -0.57 0.00 0.00 34.95 32.35 3a12 s ARG 155 CO 0.00 -1.00 1.31 -2.14 -1.08 0.00 0.00 175.30 172.39 3a12 s PRO 156 N -4.27 2.86 0.45 3.89 0.02 -1.18 -4.90 135.00 131.87 3a12 s PRO 156 Ca 0.63 2.10 -0.23 0.00 0.02 0.00 0.00 61.00 63.52 3a12 s PRO 156 Cb -0.17 -2.03 -0.08 0.00 0.02 0.00 0.00 34.50 32.24 3a12 s PRO 156 CO 0.42 -1.37 1.13 0.42 -0.33 0.00 0.00 177.00 177.27 3a12 s ILE 157 N -1.38 3.29 -0.02 2.83 -1.09 -0.62 -4.88 121.20 119.32 3a12 s ILE 157 Ca 0.77 0.96 0.01 0.00 -2.23 0.00 0.00 60.65 60.16 3a12 s ILE 157 Cb -0.38 -3.49 0.02 0.00 -1.58 0.00 0.00 42.46 37.03 3a12 s ILE 157 CO 0.42 -0.02 -0.02 -0.47 -1.23 0.00 0.00 174.94 173.62 3a12 s TYR 158 N -1.59 0.35 0.37 3.97 5.04 -1.26 0.59 117.35 124.81 3a12 s TYR 158 Ca 0.62 -0.04 -0.15 0.00 -2.44 0.00 0.00 57.07 55.07 3a12 s TYR 158 Cb -0.26 -0.35 0.04 0.00 0.35 0.00 0.00 41.96 41.74 3a12 s TYR 158 CO 0.32 -0.09 0.74 0.20 -1.34 0.00 0.00 175.55 175.38 3a12 s GLY 159 N 0.61 0.44 -0.06 8.97 0.00 -0.79 0.68 107.32 117.16 3a12 s GLY 159 Ca -0.06 -0.78 0.02 0.00 0.00 0.00 0.00 44.72 43.90 3a12 s GLY 159 CO -0.01 -0.36 -0.12 0.14 0.00 0.00 0.00 173.10 172.74 3a12 s VAL 160 N -2.62 1.14 -0.29 1.40 1.01 -0.26 -1.98 120.40 118.79 3a12 s VAL 160 Ca 0.17 -0.49 -0.15 0.00 0.00 0.00 0.00 61.98 61.50 3a12 s VAL 160 Cb -0.05 -1.04 -0.03 0.00 0.00 0.00 0.00 36.38 35.27 3a12 s VAL 160 CO 0.12 0.35 0.39 -0.69 0.00 0.00 0.00 175.10 175.27 3a12 s VAL 161 N 0.61 5.15 0.37 2.92 1.01 -1.26 -4.47 120.40 124.73 3a12 s VAL 161 Ca -0.14 0.44 -0.28 0.00 0.00 0.00 0.00 61.98 62.00 3a12 s VAL 161 Cb -0.15 -3.76 -0.11 0.00 0.00 0.00 0.00 36.38 32.35 3a12 s VAL 161 CO 0.04 0.06 1.43 -2.65 0.00 0.00 0.00 175.10 173.97 3a12 n PRO 162 N 5.40 2.51 -4.95 2.72 -0.02 -1.26 -4.58 135.00 134.82 3a12 n PRO 162 Ca -0.08 0.88 -0.27 0.00 -2.02 0.00 0.00 63.50 62.01 3a12 n PRO 162 Cb 0.50 -2.57 -0.16 0.00 -0.02 0.00 0.00 33.50 31.25 3a12 n PRO 162 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3a12 s LYS 163 N -2.05 1.78 0.77 -0.52 -0.14 -1.26 -3.85 119.74 114.47 3a12 s LYS 163 Ca 0.54 -0.69 -0.14 0.00 -1.36 0.00 0.00 55.97 54.32 3a12 s LYS 163 Cb -0.50 -1.62 0.06 0.00 -1.68 0.00 0.00 37.83 34.09 3a12 s LYS 163 CO 0.63 0.35 1.23 -2.14 -0.76 0.00 0.00 175.35 174.66 3a12 s PRO 164 N -0.23 1.84 0.12 -1.68 0.02 -1.26 -5.04 135.00 128.77 3a12 s PRO 164 Ca 0.02 1.84 -0.24 0.00 0.02 0.00 0.00 61.00 62.64 3a12 s PRO 164 Cb -0.10 -1.79 -0.05 0.00 0.02 0.00 0.00 34.50 32.58 3a12 s PRO 164 CO 0.01 -2.08 1.67 0.87 -0.33 0.00 0.00 177.00 177.13 3a12 h LYS 165 N -0.57 -0.24 -4.98 5.54 1.57 -1.95 -3.44 116.57 112.50 3a12 h LYS 165 Ca -0.47 0.02 -0.31 0.00 -1.87 0.00 0.00 60.65 58.01 3a12 h LYS 165 Cb 1.31 0.05 -0.16 0.00 0.08 0.00 0.00 32.23 33.51 3a12 h LYS 165 CO 0.48 -0.16 -0.72 0.14 -0.57 0.00 0.00 179.45 178.62 3a12 s VAL 166 N -6.13 1.03 0.00 0.50 -7.23 -1.26 -4.70 120.40 102.61 3a12 s VAL 166 Ca -0.15 -1.91 0.00 0.00 -1.81 0.00 0.00 61.98 58.12 3a12 s VAL 166 Cb 0.09 -1.67 0.00 0.00 0.56 0.00 0.00 36.38 35.37 3a12 s VAL 166 CO 0.67 -0.70 0.00 0.61 -0.31 0.00 0.00 175.10 175.36 3a12 n GLY 167 N 0.07 1.02 3.67 2.32 0.00 -1.26 -5.12 105.19 105.88 3a12 n GLY 167 Ca -0.12 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.63 3a12 n GLY 167 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3a12 s TYR 168 N -2.00 2.86 0.51 1.61 -0.85 -1.26 -5.09 117.35 113.13 3a12 s TYR 168 Ca 0.00 -0.13 -0.01 0.00 -0.52 0.00 0.00 57.07 56.42 3a12 s TYR 168 Cb 0.00 -1.40 0.01 0.00 0.38 0.00 0.00 41.96 40.96 3a12 s TYR 168 CO 0.00 0.51 0.75 -1.54 -1.52 0.00 0.00 175.55 173.76 3a12 s SER 169 N -2.88 5.59 0.32 -0.18 1.04 -1.26 -4.58 113.70 111.74 3a12 s SER 169 Ca 0.27 0.27 0.01 0.00 0.48 0.00 0.00 55.95 56.99 3a12 s SER 169 Cb -0.10 -1.35 0.54 0.00 0.10 0.00 0.00 66.02 65.21 3a12 s SER 169 CO 0.19 -0.93 1.93 -0.65 0.98 0.00 0.00 173.24 174.76 3a12 h PRO 170 N 0.17 0.82 -0.16 4.02 0.11 -1.96 0.24 132.00 135.24 3a12 h PRO 170 Ca -0.45 -0.10 -0.13 0.00 0.11 0.00 0.00 66.00 65.44 3a12 h PRO 170 Cb 1.27 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 3a12 h PRO 170 CO 0.56 0.63 -0.44 0.93 -0.21 0.00 0.00 178.00 179.47 3a12 h GLU 171 N 0.83 0.40 -0.07 1.05 3.07 -1.94 0.25 114.58 118.16 3a12 h GLU 171 Ca 0.21 -0.21 -0.21 0.00 -0.50 0.00 0.00 59.36 58.65 3a12 h GLU 171 Cb 0.07 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 27.99 3a12 h GLU 171 CO -0.03 0.77 -0.81 0.93 -1.40 0.00 0.00 179.01 178.47 3a12 h GLU 172 N 0.33 0.50 -0.71 2.33 5.08 -1.88 -3.22 114.58 117.01 3a12 h GLU 172 Ca 0.02 -0.45 -0.07 0.00 -1.00 0.00 0.00 59.36 57.87 3a12 h GLU 172 Cb 0.91 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.24 3a12 h GLU 172 CO 0.08 1.08 0.17 0.35 -1.00 0.00 0.00 179.01 179.69 3a12 h PHE 173 N 0.33 1.20 0.18 4.33 3.57 -0.44 -2.88 116.94 123.23 3a12 h PHE 173 Ca -0.05 -0.14 0.01 0.00 3.53 0.00 0.00 57.97 61.32 3a12 h PHE 173 Cb 1.41 -0.34 -0.04 0.00 2.79 0.00 0.00 35.95 39.77 3a12 h PHE 173 CO 0.06 0.97 -0.42 1.49 -2.23 0.00 0.00 178.31 178.18 3a12 h GLU 174 N 1.08 -0.67 -0.41 1.11 4.81 -0.54 -0.58 114.58 119.38 3a12 h GLU 174 Ca 0.22 0.05 0.08 0.00 -0.13 0.00 0.00 59.36 59.58 3a12 h GLU 174 Cb 0.38 0.15 -0.08 0.00 0.63 0.00 0.00 28.75 29.83 3a12 h GLU 174 CO 0.00 -0.44 -0.09 -0.22 -0.73 0.00 0.00 179.01 177.53 3a12 h LYS 175 N -0.69 0.01 -0.68 1.92 1.63 -1.58 -1.56 116.57 115.61 3a12 h LYS 175 Ca 0.01 -0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 59.76 3a12 h LYS 175 Cb 0.69 -0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.29 3a12 h LYS 175 CO -0.21 0.01 0.23 1.25 -3.45 0.00 0.00 179.45 177.28 3a12 h LEU 176 N 0.01 0.96 -0.27 5.20 5.85 -1.27 -1.68 115.31 124.11 3a12 h LEU 176 Ca 0.20 -0.16 -0.10 0.00 0.84 0.00 0.00 57.88 58.66 3a12 h LEU 176 Cb 0.30 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.08 3a12 h LEU 176 CO -0.41 0.88 -0.23 0.00 -0.34 0.00 0.00 178.44 178.33 3a12 h ALA 177 N 1.25 0.40 0.20 1.25 0.00 -0.72 -0.55 119.26 121.09 3a12 h ALA 177 Ca 0.23 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3a12 h ALA 177 Cb 0.25 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3a12 h ALA 177 CO -0.01 0.37 -0.19 -0.92 0.00 0.00 0.00 179.25 178.49 3a12 h TYR 178 N 0.37 -0.50 -0.42 0.00 3.20 -1.18 -0.38 116.97 118.06 3a12 h TYR 178 Ca 0.05 0.00 0.05 0.00 3.14 0.00 0.00 58.73 61.97 3a12 h TYR 178 Cb 0.79 0.19 -0.05 0.00 1.54 0.00 0.00 36.73 39.20 3a12 h TYR 178 CO 0.07 -0.29 0.14 -0.44 -1.64 0.00 0.00 178.16 176.01 3a12 h ASP 179 N -0.41 0.15 0.46 -2.11 3.32 -1.21 -0.83 116.42 115.78 3a12 h ASP 179 Ca -0.00 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 3a12 h ASP 179 Cb 0.39 0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.98 3a12 h ASP 179 CO -0.04 0.12 -0.22 -0.07 -1.72 0.00 0.00 179.24 177.31 3a12 h LEU 180 N 0.31 -0.52 -1.88 1.55 3.38 -0.90 -2.37 115.31 114.88 3a12 h LEU 180 Ca 0.20 -0.09 0.09 0.00 0.09 0.00 0.00 57.88 58.16 3a12 h LEU 180 Cb 0.19 0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 3a12 h LEU 180 CO -0.21 -0.16 0.27 -0.07 0.09 0.00 0.00 178.44 178.36 3a12 h LEU 181 N -0.92 0.13 -0.90 1.67 3.38 -1.05 0.78 115.31 118.38 3a12 h LEU 181 Ca -0.06 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 3a12 h LEU 181 Cb 0.58 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 3a12 h LEU 181 CO 0.10 0.08 -0.27 0.28 0.09 0.00 0.00 178.44 178.72 3a12 h SER 182 N 0.14 0.00 -0.47 -0.43 0.02 -1.02 -3.28 113.55 108.52 3a12 h SER 182 Ca 0.18 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.89 3a12 h SER 182 Cb 0.53 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 62.93 3a12 h SER 182 CO -0.02 0.27 0.04 0.59 -1.14 0.00 0.00 176.83 176.57 3a12 n ASN 183 N -3.37 2.69 0.00 3.07 3.02 0.25 -4.94 115.26 115.97 3a12 n ASN 183 Ca 0.00 -3.76 0.00 0.00 -0.03 0.00 0.00 54.58 50.80 3a12 n ASN 183 Cb 0.48 -0.67 0.00 0.00 -0.61 0.00 0.00 39.78 38.98 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 -1.12 1.98 3.74 7.41 0.00 -1.10 -2.85 105.19 113.24 3a12 n GLY 184 Ca 0.38 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.13 3.52 -0.12 4.61 0.00 -1.10 -4.91 121.76 121.62 3a12 s ALA 185 Ca 0.00 1.12 0.14 0.00 0.00 0.00 0.00 51.96 53.22 3a12 s ALA 185 Cb 0.00 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.64 3a12 s ALA 185 CO 0.00 -0.53 1.32 -0.44 0.00 0.00 0.00 175.76 176.10 3a12 h ASP 186 N 5.15 0.00 -4.66 0.00 3.32 -0.09 -3.40 116.42 116.73 3a12 h ASP 186 Ca -0.45 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.49 3a12 h ASP 186 Cb 1.22 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.55 3a12 h ASP 186 CO 0.76 0.57 -0.20 -0.72 -1.72 0.00 0.00 179.24 177.92 3a12 s TYR 187 N -2.93 -0.32 0.29 4.55 -0.85 -1.20 -2.35 117.35 114.55 3a12 s TYR 187 Ca 0.02 0.63 0.01 0.00 -0.52 0.00 0.00 57.07 57.21 3a12 s TYR 187 Cb 0.08 0.15 0.06 0.00 0.38 0.00 0.00 41.96 42.63 3a12 s TYR 187 CO 0.76 -0.37 0.40 -1.33 -1.52 0.00 0.00 175.55 173.50 3a12 n MET 188 N 1.69 0.42 -5.21 -3.49 2.81 -1.08 -1.10 117.12 111.16 3a12 n MET 188 Ca -0.19 -1.17 -0.30 0.00 -1.81 0.00 0.00 57.70 54.23 3a12 n MET 188 Cb 0.56 -0.24 -0.16 0.00 -0.71 0.00 0.00 33.22 32.67 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 -2.66 2.90 0.68 7.83 1.01 -0.59 -0.60 116.67 125.24 3a12 s ASP 190 Ca 0.27 -0.46 -0.17 0.00 0.71 0.00 0.00 52.55 52.90 3a12 s ASP 190 Cb -0.02 -0.55 0.01 0.00 1.01 0.00 0.00 42.92 43.38 3a12 s ASP 190 CO 0.18 0.27 1.24 -0.62 0.21 0.00 0.00 175.17 176.45 3a12 s ASP 191 N -0.36 4.45 0.65 0.27 -1.08 -1.26 -4.81 116.67 114.52 3a12 s ASP 191 Ca 0.03 2.48 0.41 0.00 -0.52 0.00 0.00 52.55 54.95 3a12 s ASP 191 Cb -0.11 -2.60 2.27 0.00 -1.46 0.00 0.00 42.92 41.01 3a12 s ASP 191 CO 0.01 -2.10 2.33 1.05 0.52 0.00 0.00 175.17 176.99 3a12 h GLU 192 N 0.17 0.00 -0.37 4.34 9.09 -2.00 -0.88 114.58 124.93 3a12 h GLU 192 Ca -0.49 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.92 3a12 h GLU 192 Cb 1.31 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.41 3a12 h GLU 192 CO 0.52 0.00 0.00 0.27 0.05 0.00 0.00 179.01 179.85 3a12 n ASN 193 N -3.24 3.17 -4.56 3.06 6.94 -1.26 -4.85 115.26 114.52 3a12 n ASN 193 Ca -0.03 -1.92 -0.42 0.00 -0.02 0.00 0.00 54.58 52.20 3a12 n ASN 193 Cb 0.09 -0.24 -0.07 0.00 -2.36 0.00 0.00 39.78 37.19 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 -1.19 4.30 0.00 -4.53 2.96 -0.34 -4.96 118.68 114.93 3a12 s LEU 194 Ca 0.32 0.04 0.00 0.00 -0.22 0.00 0.00 54.13 54.28 3a12 s LEU 194 Cb 0.18 -2.77 0.00 0.00 0.50 0.00 0.00 46.19 44.11 3a12 s LEU 194 CO 0.25 -0.63 0.00 0.35 -1.32 0.00 0.00 176.35 175.00 3a12 n THR 195 N 5.64 0.00 -3.02 3.68 -2.24 -1.26 -4.70 114.28 112.37 3a12 n THR 195 Ca -0.01 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.61 3a12 n THR 195 Cb 0.48 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.70 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 1.10 -4.81 3.42 2.88 -1.26 -4.10 113.62 110.85 3a12 n SER 196 Ca 0.00 -2.94 -0.29 0.00 -1.33 0.00 0.00 58.87 54.31 3a12 n SER 196 Cb 0.00 -0.59 0.12 0.00 -0.75 0.00 0.00 64.21 62.99 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 -2.66 1.34 0.39 -1.46 0.04 -1.25 -4.72 135.00 126.68 3a12 s PRO 197 Ca 0.36 0.25 0.10 0.00 0.04 0.00 0.00 61.00 61.76 3a12 s PRO 197 Cb 0.38 -1.87 0.89 0.00 0.04 0.00 0.00 34.50 33.95 3a12 s PRO 197 CO -0.05 -2.05 1.93 0.11 0.04 0.00 0.00 177.00 176.98 3a12 h TRP 198 N -1.39 0.64 0.00 0.56 5.08 -2.01 -1.92 115.95 116.91 3a12 h TRP 198 Ca -0.49 0.02 0.00 0.00 1.08 0.00 0.00 58.89 59.49 3a12 h TRP 198 Cb 1.33 -0.21 0.00 0.00 -3.00 0.00 0.00 29.16 27.28 3a12 h TRP 198 CO 0.30 0.29 0.00 2.48 -1.28 0.00 0.00 178.44 180.23 3a12 n TYR 199 N -4.50 0.26 -2.76 0.12 0.18 -1.26 -4.48 117.16 104.72 3a12 n TYR 199 Ca 0.13 0.08 -0.04 0.00 1.88 0.00 0.00 57.90 59.95 3a12 n TYR 199 Cb 0.38 -0.63 0.01 0.00 -0.38 0.00 0.00 39.34 38.73 3a12 n TYR 199 CO 0.00 0.00 0.00 1.21 -2.08 0.00 0.00 176.86 175.99 3a12 s ASN 200 N -3.43 -1.41 0.21 9.48 3.84 -0.73 -4.18 114.94 118.72 3a12 s ASN 200 Ca 0.13 -1.68 -0.30 0.00 0.21 0.00 0.00 52.86 51.22 3a12 s ASN 200 Cb 0.17 1.85 -0.09 0.00 -0.55 0.00 0.00 41.25 42.63 3a12 s ASN 200 CO 0.54 -0.05 1.25 -0.13 -2.79 0.00 0.00 177.10 175.92 3a12 s ARG 201 N 0.89 4.44 0.20 0.43 1.81 -1.18 -3.87 118.95 121.67 3a12 s ARG 201 Ca 0.30 1.99 -0.14 0.00 -1.72 0.00 0.00 55.73 56.16 3a12 s ARG 201 Cb 0.00 -3.20 0.22 0.00 -0.45 0.00 0.00 34.95 31.53 3a12 s ARG 201 CO -0.05 -0.15 1.65 0.35 -0.68 0.00 0.00 175.30 176.41 3a12 h PHE 202 N 4.99 -0.21 0.00 -0.53 3.57 -1.85 0.16 116.94 123.07 3a12 h PHE 202 Ca -0.45 0.05 -0.05 0.00 3.53 0.00 0.00 57.97 61.04 3a12 h PHE 202 Cb 1.22 0.18 -0.01 0.00 2.79 0.00 0.00 35.95 40.13 3a12 h PHE 202 CO 0.61 -0.21 -0.25 0.93 -2.23 0.00 0.00 178.31 177.16 3a12 h GLU 203 N 0.04 0.00 -0.07 1.11 4.39 -1.94 -0.69 114.58 117.42 3a12 h GLU 203 Ca 0.28 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.89 3a12 h GLU 203 Cb 0.44 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 3a12 h GLU 203 CO -0.55 0.25 -0.30 0.93 -1.16 0.00 0.00 179.01 178.18 3a12 h GLU 204 N 0.00 0.33 -0.27 2.33 5.08 -1.40 -2.50 114.58 118.16 3a12 h GLU 204 Ca -0.00 -0.26 0.07 0.00 -1.00 0.00 0.00 59.36 58.16 3a12 h GLU 204 Cb 0.52 0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.75 3a12 h GLU 204 CO 0.03 0.90 -0.23 0.00 -1.00 0.00 0.00 179.01 178.70 3a12 h ARG 205 N -0.16 -0.22 -0.26 2.33 3.08 -0.86 -2.47 114.38 115.83 3a12 h ARG 205 Ca -0.02 0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.10 3a12 h ARG 205 Cb 0.94 0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.99 3a12 h ARG 205 CO 0.06 -0.15 -0.09 0.00 -1.07 0.00 0.00 179.97 178.73 3a12 h ALA 206 N 0.85 0.14 -0.96 0.04 0.00 -1.11 0.20 119.26 118.42 3a12 h ALA 206 Ca 0.15 0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.17 3a12 h ALA 206 Cb 0.45 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 3a12 h ALA 206 CO -0.40 -0.49 0.64 0.93 0.00 0.00 0.00 179.25 179.92 3a12 h GLU 207 N -0.03 1.24 -0.26 0.00 4.39 -1.31 0.28 114.58 118.88 3a12 h GLU 207 Ca 0.13 -0.07 -0.08 0.00 0.34 0.00 0.00 59.36 59.68 3a12 h GLU 207 Cb 0.23 -0.28 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 3a12 h GLU 207 CO -0.28 0.82 -0.13 0.82 -1.16 0.00 0.00 179.01 179.07 3a12 h ILE 208 N 1.28 1.30 -0.49 3.13 2.04 -0.81 -2.27 117.51 121.68 3a12 h ILE 208 Ca 0.36 -1.22 -0.11 0.00 1.00 0.00 0.00 64.86 64.89 3a12 h ILE 208 Cb -0.10 1.54 -0.02 0.00 -0.74 0.00 0.00 36.82 37.50 3a12 h ILE 208 CO -0.09 0.38 -0.12 0.24 0.00 0.00 0.00 178.15 178.56 3a12 h MET 209 N 0.28 0.93 -0.52 2.37 2.86 -0.29 0.39 114.93 120.95 3a12 h MET 209 Ca 0.06 -0.34 -0.04 0.00 -2.06 0.00 0.00 59.70 57.32 3a12 h MET 209 Cb 0.65 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.22 3a12 h MET 209 CO 0.04 0.99 0.15 0.00 1.06 0.00 0.00 176.91 179.15 3a12 h ALA 210 N 1.03 1.28 0.02 6.32 0.00 -0.94 0.39 119.26 127.35 3a12 h ALA 210 Ca 0.13 -0.18 -0.20 0.00 0.00 0.00 0.00 54.91 54.66 3a12 h ALA 210 Cb 0.66 -0.21 0.02 0.00 0.00 0.00 0.00 17.79 18.26 3a12 h ALA 210 CO 0.05 0.51 -0.80 -0.22 0.00 0.00 0.00 179.25 178.79 3a12 h LYS 211 N 0.76 0.50 -0.24 0.00 3.64 -1.02 -2.87 116.57 117.34 3a12 h LYS 211 Ca 0.17 -0.57 -0.11 0.00 -1.27 0.00 0.00 60.65 58.87 3a12 h LYS 211 Cb 0.25 0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.23 3a12 h LYS 211 CO -0.01 1.20 -0.30 0.82 -2.27 0.00 0.00 179.45 178.90 3a12 h ILE 212 N 0.05 1.32 -0.45 2.00 2.04 -0.01 -2.09 117.51 120.36 3a12 h ILE 212 Ca -0.11 -1.48 0.03 0.00 1.00 0.00 0.00 64.86 64.30 3a12 h ILE 212 Cb 1.50 1.71 -0.03 0.00 -0.74 0.00 0.00 36.82 39.25 3a12 h ILE 212 CO 0.16 0.47 0.25 0.40 0.00 0.00 0.00 178.15 179.42 3a12 h ILE 213 N 0.34 1.01 -0.04 -0.67 2.04 -0.34 0.66 117.51 120.50 3a12 h ILE 213 Ca 0.03 -0.17 0.03 0.00 1.00 0.00 0.00 64.86 65.75 3a12 h ILE 213 Cb 0.87 0.47 -0.03 0.00 -0.74 0.00 0.00 36.82 37.39 3a12 h ILE 213 CO 0.07 0.09 -0.12 0.44 0.00 0.00 0.00 178.15 178.64 3a12 h ASP 214 N 0.49 -0.34 -0.15 1.72 5.19 -1.49 -1.01 116.42 120.83 3a12 h ASP 214 Ca 0.19 0.06 -0.00 0.00 -0.62 0.00 0.00 57.03 56.66 3a12 h ASP 214 Cb 0.06 0.16 -0.01 0.00 0.18 0.00 0.00 39.33 39.72 3a12 h ASP 214 CO -0.11 -0.16 0.09 0.50 -3.12 0.00 0.00 179.24 176.44 3a12 h LYS 215 N -0.18 0.20 -0.46 3.56 3.64 -0.83 -2.09 116.57 120.41 3a12 h LYS 215 Ca 0.06 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.36 3a12 h LYS 215 Cb 0.25 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 3a12 h LYS 215 CO -0.15 0.17 0.02 0.28 -2.27 0.00 0.00 179.45 177.50 3a12 h VAL 216 N 0.18 1.23 -0.31 2.00 2.07 -0.84 -1.64 116.25 118.94 3a12 h VAL 216 Ca 0.05 -0.93 -0.02 0.00 0.82 0.00 0.00 66.70 66.62 3a12 h VAL 216 Cb 0.02 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 3a12 h VAL 216 CO -0.01 0.33 0.11 -0.33 0.02 0.00 0.00 177.57 177.69 3a12 h GLU 217 N 0.71 0.47 0.00 1.57 5.08 -0.78 0.80 114.58 122.43 3a12 h GLU 217 Ca 0.14 -0.09 -0.04 0.00 -1.00 0.00 0.00 59.36 58.37 3a12 h GLU 217 Cb 0.40 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 3a12 h GLU 217 CO 0.01 0.50 -0.20 -0.97 -1.00 0.00 0.00 179.01 177.35 3a12 h ASN 218 N 0.34 0.00 0.45 1.42 -0.73 -1.30 0.36 115.58 116.12 3a12 h ASN 218 Ca 0.10 0.00 -0.30 0.00 1.87 0.00 0.00 56.30 57.97 3a12 h ASN 218 Cb 0.21 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.79 3a12 h ASN 218 CO -0.01 0.20 -1.55 -0.33 -0.37 0.00 0.00 177.43 175.37 3a12 h GLU 219 N 0.00 0.22 -0.01 6.67 5.08 -0.71 -3.37 114.58 122.46 3a12 h GLU 219 Ca -0.00 -0.38 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 3a12 h GLU 219 Cb 0.63 0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.02 3a12 h GLU 219 CO 0.03 1.06 -0.29 0.25 -1.00 0.00 0.00 179.01 179.06 3a12 n THR 220 N -3.42 0.00 -0.98 1.13 -2.24 0.22 -4.96 114.28 104.03 3a12 n THR 220 Ca -0.17 -0.35 -0.01 0.00 -2.27 0.00 0.00 64.05 61.25 3a12 n THR 220 Cb 1.04 1.13 -0.00 0.00 -2.10 0.00 0.00 70.33 70.40 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 1.03 0.06 3.80 3.38 0.00 0.13 -4.96 105.19 108.62 3a12 n GLY 221 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.98 3.18 0.07 1.61 2.02 -1.23 -5.01 118.70 117.37 3a12 s GLU 222 Ca 0.00 -0.37 -0.30 0.00 0.02 0.00 0.00 54.97 54.32 3a12 s GLU 222 Cb 0.00 -2.95 -0.05 0.00 0.10 0.00 0.00 34.13 31.23 3a12 s GLU 222 CO 0.00 0.69 0.96 0.15 0.02 0.00 0.00 175.26 177.08 3a12 s LYS 223 N -1.46 4.65 0.15 1.61 -0.14 -1.26 -4.17 119.74 119.11 3a12 s LYS 223 Ca 0.20 1.43 0.07 0.00 -1.36 0.00 0.00 55.97 56.32 3a12 s LYS 223 Cb -0.12 -3.41 -0.04 0.00 -1.68 0.00 0.00 37.83 32.59 3a12 s LYS 223 CO 0.10 0.12 -0.17 0.15 -0.76 0.00 0.00 175.35 174.80 3a12 s LYS 224 N 0.34 1.18 0.33 1.68 -0.14 -1.26 -4.91 119.74 116.97 3a12 s LYS 224 Ca 0.48 -1.35 0.02 0.00 -1.36 0.00 0.00 55.97 53.77 3a12 s LYS 224 Cb -0.22 -1.17 -0.01 0.00 -1.68 0.00 0.00 37.83 34.74 3a12 s LYS 224 CO 0.29 0.23 0.37 -0.08 -0.76 0.00 0.00 175.35 175.40 3a12 s THR 225 N -2.11 0.00 -0.08 2.17 -1.32 -0.99 -5.01 115.64 108.30 3a12 s THR 225 Ca 0.13 -1.81 -0.03 0.00 -1.21 0.00 0.00 61.69 58.77 3a12 s THR 225 Cb -0.05 -2.57 0.04 0.00 -1.51 0.00 0.00 72.50 68.41 3a12 s THR 225 CO 0.05 0.00 0.14 0.86 -2.21 0.00 0.00 174.62 173.46 3a12 s TRP 226 N -3.27 -0.14 -0.81 9.09 -0.00 -1.26 -2.63 118.94 119.92 3a12 s TRP 226 Ca 0.36 0.55 -0.23 0.00 -0.00 0.00 0.00 56.10 56.77 3a12 s TRP 226 Cb 0.01 -0.28 0.06 0.00 -0.00 0.00 0.00 33.47 33.26 3a12 s TRP 226 CO 0.24 -0.25 1.20 -0.06 -0.00 0.00 0.00 176.95 178.07 3a12 s PHE 227 N 2.18 2.59 -0.39 5.86 0.08 0.23 -4.18 117.98 124.36 3a12 s PHE 227 Ca 0.02 -0.59 -0.23 0.00 0.12 0.00 0.00 56.93 56.25 3a12 s PHE 227 Cb -0.12 -4.49 0.01 0.00 -0.57 0.00 0.00 43.02 37.86 3a12 s PHE 227 CO -0.05 -1.82 0.80 0.00 -0.10 0.00 0.00 175.22 174.04 3a12 s ALA 228 N 4.57 3.39 -0.44 5.36 0.00 -1.26 -1.55 121.76 131.83 3a12 s ALA 228 Ca 0.33 -0.73 -0.28 0.00 0.00 0.00 0.00 51.96 51.28 3a12 s ALA 228 Cb -0.08 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.63 3a12 s ALA 228 CO 0.04 -1.61 1.55 1.21 0.00 0.00 0.00 175.76 176.95 3a12 s ASN 229 N 1.93 6.09 0.00 0.00 2.47 -1.26 0.12 114.94 124.29 3a12 s ASN 229 Ca 0.32 0.79 0.26 0.00 0.42 0.00 0.00 52.86 54.65 3a12 s ASN 229 Cb -0.13 -2.54 0.64 0.00 -1.45 0.00 0.00 41.25 37.78 3a12 s ASN 229 CO 0.19 -1.64 1.51 2.30 -3.72 0.00 0.00 177.10 175.73 3a12 n ILE 230 N 7.14 0.00 -1.65 -5.21 -5.35 -0.56 -4.78 119.36 108.95 3a12 n ILE 230 Ca 0.18 -0.34 -0.58 0.00 -0.27 0.00 0.00 62.75 61.74 3a12 n ILE 230 Cb 0.48 0.92 -0.08 0.00 -1.74 0.00 0.00 39.64 39.23 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 0.57 0.26 -3.91 7.28 -1.04 -1.26 -4.26 114.28 111.92 3a12 n THR 231 Ca 0.16 -0.07 -0.01 0.00 -2.04 0.00 0.00 64.05 62.09 3a12 n THR 231 Cb 0.46 -1.19 0.02 0.00 -1.82 0.00 0.00 70.33 67.79 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 6.04 -2.73 -0.73 2.41 0.00 -1.26 -4.89 120.51 119.36 3a12 n ALA 232 Ca 0.31 -0.85 -0.31 0.00 0.00 0.00 0.00 53.44 52.59 3a12 n ALA 232 Cb 0.12 0.37 0.17 0.00 0.00 0.00 0.00 19.45 20.11 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 -3.33 2.83 0.13 0.00 1.01 -1.26 -4.66 116.67 111.40 3a12 s ASP 233 Ca 0.23 2.09 -0.29 0.00 0.71 0.00 0.00 52.55 55.29 3a12 s ASP 233 Cb -0.02 -2.53 -0.05 0.00 1.01 0.00 0.00 42.92 41.33 3a12 s ASP 233 CO 0.03 -3.14 1.58 0.25 0.21 0.00 0.00 175.17 174.10 3a12 h LEU 234 N -1.90 -1.31 -0.95 1.23 5.85 -1.99 -1.33 115.31 114.92 3a12 h LEU 234 Ca -0.45 0.18 0.05 0.00 0.84 0.00 0.00 57.88 58.50 3a12 h LEU 234 Cb 1.27 0.54 -0.06 0.00 0.37 0.00 0.00 40.66 42.78 3a12 h LEU 234 CO 0.43 -0.42 0.61 -0.07 -0.34 0.00 0.00 178.44 178.65 3a12 h LEU 235 N -0.47 0.98 -0.55 2.25 4.07 -2.00 -1.54 115.31 118.06 3a12 h LEU 235 Ca 0.08 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 57.98 3a12 h LEU 235 Cb 0.62 -0.21 -0.02 0.00 1.08 0.00 0.00 40.66 42.13 3a12 h LEU 235 CO -0.42 0.64 0.09 -0.33 -1.08 0.00 0.00 178.44 177.34 3a12 h GLU 236 N 1.13 0.92 -0.44 1.13 3.07 -1.80 -1.79 114.58 116.80 3a12 h GLU 236 Ca 0.40 -0.25 0.06 0.00 -0.50 0.00 0.00 59.36 59.07 3a12 h GLU 236 Cb 0.11 -0.11 -0.05 0.00 -0.84 0.00 0.00 28.75 27.86 3a12 h GLU 236 CO -0.16 0.89 0.13 0.52 -1.40 0.00 0.00 179.01 178.99 3a12 h MET 237 N 0.81 0.28 -0.64 2.33 2.86 -0.53 -1.04 114.93 119.00 3a12 h MET 237 Ca 0.17 -0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.84 3a12 h MET 237 Cb 0.42 -0.06 -0.05 0.00 0.06 0.00 0.00 31.60 31.96 3a12 h MET 237 CO 0.01 0.18 0.36 0.93 1.06 0.00 0.00 176.91 179.45 3a12 h GLU 238 N 0.28 0.65 -0.74 1.72 5.08 -1.02 0.11 114.58 120.66 3a12 h GLU 238 Ca 0.21 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.48 3a12 h GLU 238 Cb 0.23 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 3a12 h GLU 238 CO -0.24 0.43 0.24 1.96 -1.00 0.00 0.00 179.01 180.40 3a12 h GLN 239 N 0.67 1.15 -0.31 2.33 4.20 -0.89 -1.35 115.11 120.90 3a12 h GLN 239 Ca 0.28 -0.24 -0.17 0.00 0.06 0.00 0.00 58.65 58.58 3a12 h GLN 239 Cb 0.15 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 27.76 3a12 h GLN 239 CO -0.17 0.97 -0.49 0.00 -0.67 0.00 0.00 178.83 178.47 3a12 h ARG 240 N 1.10 0.86 -0.79 1.46 3.08 -0.52 -1.02 114.38 118.55 3a12 h ARG 240 Ca 0.24 -0.51 0.07 0.00 0.07 0.00 0.00 59.98 59.85 3a12 h ARG 240 Cb 0.29 0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.32 3a12 h ARG 240 CO -0.01 1.15 0.47 -0.07 -1.07 0.00 0.00 179.97 180.44 3a12 h LEU 241 N 0.67 0.71 -0.80 3.04 3.38 -0.85 -2.01 115.31 119.46 3a12 h LEU 241 Ca 0.03 0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 3a12 h LEU 241 Cb 1.08 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 3a12 h LEU 241 CO 0.11 0.45 0.02 -0.08 0.09 0.00 0.00 178.44 179.03 3a12 h GLU 242 N 0.84 0.93 -0.58 1.13 4.81 -0.83 -1.65 114.58 119.23 3a12 h GLU 242 Ca 0.36 -0.26 0.03 0.00 -0.13 0.00 0.00 59.36 59.35 3a12 h GLU 242 Cb 0.22 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.46 3a12 h GLU 242 CO -0.19 0.91 0.35 0.28 -0.73 0.00 0.00 179.01 179.63 3a12 h VAL 243 N 0.86 1.07 -0.35 0.32 2.07 -0.80 -0.76 116.25 118.66 3a12 h VAL 243 Ca 0.16 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 3a12 h VAL 243 Cb 0.48 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 3a12 h VAL 243 CO 0.02 0.13 0.16 -0.07 0.02 0.00 0.00 177.57 177.82 3a12 h LEU 244 N 0.70 0.47 -0.12 2.57 3.38 -1.03 -2.40 115.31 118.88 3a12 h LEU 244 Ca 0.23 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 3a12 h LEU 244 Cb 0.02 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3a12 h LEU 244 CO -0.10 0.48 0.07 0.00 0.09 0.00 0.00 178.44 178.98 3a12 h ALA 245 N 1.00 0.16 0.00 1.53 0.00 -1.07 -1.58 119.26 119.30 3a12 h ALA 245 Ca 0.12 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3a12 h ALA 245 Cb 0.15 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 3a12 h ALA 245 CO -0.01 -0.32 -0.01 -0.44 0.00 0.00 0.00 179.25 178.47 3a12 h ASP 246 N 0.12 0.00 0.34 0.00 3.32 -1.05 -1.58 116.42 117.58 3a12 h ASP 246 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 3a12 h ASP 246 Cb 0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.60 3a12 h ASP 246 CO -0.01 0.01 -0.72 0.18 -1.72 0.00 0.00 179.24 176.98 3a12 n LEU 247 N -3.88 0.67 0.00 1.55 4.77 -0.91 -4.96 117.00 114.24 3a12 n LEU 247 Ca -0.03 -0.15 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 3a12 n LEU 247 Cb 0.09 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 3a12 n LEU 247 CO 0.28 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 3a12 n GLY 248 N 1.48 0.45 3.78 -0.72 0.00 -0.60 -4.97 105.19 104.61 3a12 n GLY 248 Ca 0.05 -0.83 -0.29 0.00 0.00 0.00 0.00 46.02 44.94 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 0.00 2.05 -0.00 0.99 1.43 -0.74 -5.01 118.68 117.40 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 -3.37 -0.00 0.00 0.03 0.00 0.00 46.19 42.84 3a12 s LEU 249 CO 0.00 -2.53 0.00 0.29 0.23 0.00 0.00 176.35 174.34 3a12 n LYS 250 N -3.76 2.48 -4.34 1.70 5.02 -1.26 -4.74 118.16 113.26 3a12 n LYS 250 Ca 0.06 -0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 56.12 3a12 n LYS 250 Cb 0.59 -0.82 -0.13 0.00 -0.02 0.00 0.00 35.03 34.65 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 -1.65 1.74 -0.06 2.13 3.76 -1.26 -1.02 115.29 118.93 3a12 s HIS 251 Ca -0.00 -0.41 0.02 0.00 -0.15 0.00 0.00 55.06 54.51 3a12 s HIS 251 Cb 0.00 -0.97 0.02 0.00 1.11 0.00 0.00 32.58 32.74 3a12 s HIS 251 CO 0.00 0.17 -0.08 0.00 -0.85 0.00 0.00 174.74 173.98 3a12 s ALA 252 N -1.10 0.96 -0.07 -1.40 0.00 0.23 -4.10 121.76 116.28 3a12 s ALA 252 Ca 0.06 -0.23 -0.05 0.00 0.00 0.00 0.00 51.96 51.73 3a12 s ALA 252 Cb -0.10 -0.51 -0.04 0.00 0.00 0.00 0.00 23.12 22.48 3a12 s ALA 252 CO 0.04 0.03 0.15 1.41 0.00 0.00 0.00 175.76 177.38 3a12 s MET 253 N 0.84 3.41 -0.02 0.00 1.75 0.12 -0.77 119.30 124.63 3a12 s MET 253 Ca -0.12 -0.23 0.02 0.00 -1.25 0.00 0.00 55.69 54.11 3a12 s MET 253 Cb -0.15 -3.13 0.00 0.00 2.84 0.00 0.00 34.83 34.39 3a12 s MET 253 CO 0.01 0.73 -0.06 0.08 -0.65 0.00 0.00 175.02 175.13 3a12 s VAL 254 N -1.15 0.55 -0.86 10.11 1.01 -0.14 -1.49 120.40 128.44 3a12 s VAL 254 Ca 0.20 -0.25 -0.24 0.00 0.00 0.00 0.00 61.98 61.69 3a12 s VAL 254 Cb -0.12 -0.49 0.05 0.00 0.00 0.00 0.00 36.38 35.82 3a12 s VAL 254 CO 0.10 0.18 1.28 -1.81 0.00 0.00 0.00 175.10 174.85 3a12 s ASP 255 N 0.12 6.34 0.14 3.32 1.01 -1.26 -1.07 116.67 125.27 3a12 s ASP 255 Ca -0.01 -1.09 -0.12 0.00 0.71 0.00 0.00 52.55 52.04 3a12 s ASP 255 Cb -0.06 -2.53 -0.02 0.00 1.01 0.00 0.00 42.92 41.33 3a12 s ASP 255 CO -0.00 -1.57 1.53 -0.37 0.21 0.00 0.00 175.17 174.97 3a12 h VAL 256 N 6.29 1.28 -0.47 -1.27 -1.51 -1.45 0.96 116.25 120.07 3a12 h VAL 256 Ca -0.05 -1.28 -0.12 0.00 -1.23 0.00 0.00 66.70 64.02 3a12 h VAL 256 Cb 1.03 1.20 -0.01 0.00 -2.13 0.00 0.00 31.29 31.38 3a12 h VAL 256 CO 1.30 0.43 -0.17 0.58 -1.23 0.00 0.00 177.57 178.48 3a12 h VAL 257 N 0.68 1.27 -0.05 7.19 2.07 -1.81 -1.03 116.25 124.58 3a12 h VAL 257 Ca 0.10 -1.33 -0.01 0.00 0.82 0.00 0.00 66.70 66.28 3a12 h VAL 257 Cb 0.70 1.13 -0.00 0.00 -1.52 0.00 0.00 31.29 31.60 3a12 h VAL 257 CO 0.05 0.46 -0.03 0.40 0.02 0.00 0.00 177.57 178.47 3a12 h ILE 258 N 0.80 1.33 -0.65 4.57 2.04 -1.69 -3.11 117.51 120.80 3a12 h ILE 258 Ca 0.11 -1.04 0.14 0.00 1.00 0.00 0.00 64.86 65.07 3a12 h ILE 258 Cb 0.74 1.93 -0.11 0.00 -0.74 0.00 0.00 36.82 38.64 3a12 h ILE 258 CO 0.06 0.28 -0.02 0.74 0.00 0.00 0.00 178.15 179.21 3a12 h THR 259 N -0.29 0.44 0.00 -0.27 2.02 -0.77 -3.48 112.91 110.55 3a12 h THR 259 Ca 0.01 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.16 3a12 h THR 259 Cb 0.47 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 67.21 3a12 h THR 259 CO 0.01 0.02 0.00 0.61 0.37 0.00 0.00 175.52 176.53 3a12 n GLY 260 N -1.39 0.35 0.15 2.16 0.00 -0.40 -4.65 105.19 101.43 3a12 n GLY 260 Ca 0.10 -1.84 0.02 0.00 0.00 0.00 0.00 46.02 44.30 3a12 n GLY 260 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3a12 h TRP 261 N 0.00 0.00 -0.28 1.61 4.06 -1.88 -3.14 115.95 116.32 3a12 h TRP 261 Ca 0.00 0.00 -0.06 0.00 2.06 0.00 0.00 58.89 60.89 3a12 h TRP 261 Cb 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.14 3a12 h TRP 261 CO 0.00 0.53 -0.07 0.78 -3.56 0.00 0.00 178.44 176.12 3a12 h GLY 262 N 2.30 0.48 -0.04 1.49 0.00 -1.99 -3.26 103.07 102.05 3a12 h GLY 262 Ca -0.01 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.03 3a12 h GLY 262 CO 0.07 0.28 -0.39 0.00 0.00 0.00 0.00 176.54 176.50 3a12 n ALA 263 N -2.48 3.10 -0.03 3.60 0.00 -1.24 -4.76 120.51 118.71 3a12 n ALA 263 Ca 0.01 -0.26 -0.11 0.00 0.00 0.00 0.00 53.44 53.08 3a12 n ALA 263 Cb 0.27 -0.32 -0.05 0.00 0.00 0.00 0.00 19.45 19.35 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 0.09 0.20 -0.45 0.00 5.85 -1.58 -1.16 115.31 118.25 3a12 h LEU 264 Ca 0.00 -0.14 0.02 0.00 0.84 0.00 0.00 57.88 58.60 3a12 h LEU 264 Cb 0.21 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 3a12 h LEU 264 CO 0.00 0.28 0.27 -0.09 -0.34 0.00 0.00 178.44 178.57 3a12 h ARG 265 N 0.10 0.54 -0.73 1.25 2.43 -1.86 0.14 114.38 116.25 3a12 h ARG 265 Ca 0.05 -0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.23 3a12 h ARG 265 Cb 0.14 -0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 29.52 3a12 h ARG 265 CO -0.01 0.36 0.45 -0.92 -1.51 0.00 0.00 179.97 178.34 3a12 h TYR 266 N 0.55 0.85 -0.47 2.20 3.20 -1.80 -0.41 116.97 121.10 3a12 h TYR 266 Ca 0.18 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.99 3a12 h TYR 266 Cb -0.00 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 37.98 3a12 h TYR 266 CO -0.06 0.47 -0.02 0.82 -1.64 0.00 0.00 178.16 177.72 3a12 h ILE 267 N 0.87 1.26 -0.13 1.81 2.04 -0.68 -0.99 117.51 121.70 3a12 h ILE 267 Ca 0.30 -1.10 0.02 0.00 1.00 0.00 0.00 64.86 65.09 3a12 h ILE 267 Cb 0.06 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 3a12 h ILE 267 CO -0.13 0.38 0.01 -0.09 0.00 0.00 0.00 178.15 178.32 3a12 h ARG 268 N 0.69 0.05 -0.92 2.37 1.12 -0.75 0.25 114.38 117.19 3a12 h ARG 268 Ca 0.13 -0.00 -0.00 0.00 -1.11 0.00 0.00 59.98 58.99 3a12 h ARG 268 Cb 0.54 -0.01 -0.04 0.00 -0.01 0.00 0.00 29.97 30.44 3a12 h ARG 268 CO 0.03 0.04 0.56 -0.44 -3.11 0.00 0.00 179.97 177.05 3a12 h ASP 269 N 0.05 1.10 -0.20 -3.80 3.32 -0.94 0.13 116.42 116.08 3a12 h ASP 269 Ca 0.06 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 3a12 h ASP 269 Cb 0.07 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 3a12 h ASP 269 CO -0.10 0.84 0.09 0.25 -1.72 0.00 0.00 179.24 178.61 3a12 h LEU 270 N 1.27 0.27 -0.51 1.55 5.85 -0.89 -0.24 115.31 122.62 3a12 h LEU 270 Ca 0.33 -0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.91 3a12 h LEU 270 Cb -0.06 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 3a12 h LEU 270 CO -0.06 0.33 0.30 0.00 -0.34 0.00 0.00 178.44 178.67 3a12 h ALA 271 N 0.95 0.65 -0.14 1.25 0.00 -0.48 -1.98 119.26 119.50 3a12 h ALA 271 Ca 0.07 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.95 3a12 h ALA 271 Cb 0.14 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 3a12 h ALA 271 CO -0.01 0.15 -0.19 0.00 0.00 0.00 0.00 179.25 179.20 3a12 h ALA 272 N 1.14 -0.12 -0.31 0.00 0.00 -0.55 0.12 119.26 119.54 3a12 h ALA 272 Ca 0.18 0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.23 3a12 h ALA 272 Cb 0.00 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3a12 h ALA 272 CO -0.03 -0.64 0.22 -0.44 0.00 0.00 0.00 179.25 178.36 3a12 h ASP 273 N -0.23 0.03 1.02 0.00 3.32 -0.82 0.43 116.42 120.16 3a12 h ASP 273 Ca 0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.15 3a12 h ASP 273 Cb 0.39 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.93 3a12 h ASP 273 CO -0.28 0.02 -0.20 -1.22 -1.72 0.00 0.00 179.24 175.84 3a12 n TYR 274 N -4.45 0.35 -2.71 4.55 4.01 -0.33 -4.94 117.16 113.63 3a12 n TYR 274 Ca 0.04 0.10 -0.05 0.00 -0.16 0.00 0.00 57.90 57.84 3a12 n TYR 274 Cb 0.37 -0.61 0.02 0.00 -0.31 0.00 0.00 39.34 38.81 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 1.42 0.62 3.50 2.72 0.00 0.15 -4.92 105.19 108.68 3a12 n GLY 275 Ca 0.06 -0.49 -0.33 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.32 2.99 0.37 0.99 1.43 -0.13 -4.87 118.68 117.14 3a12 s LEU 276 Ca 0.12 -0.14 -0.21 0.00 -1.03 0.00 0.00 54.13 52.87 3a12 s LEU 276 Cb -0.05 -1.66 -0.10 0.00 0.03 0.00 0.00 46.19 44.41 3a12 s LEU 276 CO 0.15 0.29 0.89 0.00 0.23 0.00 0.00 176.35 177.91 3a12 s ALA 277 N -0.38 3.16 -0.18 4.21 0.00 -0.19 -4.15 121.76 124.24 3a12 s ALA 277 Ca 0.05 0.34 -0.04 0.00 0.00 0.00 0.00 51.96 52.31 3a12 s ALA 277 Cb -0.12 -3.06 -0.02 0.00 0.00 0.00 0.00 23.12 19.92 3a12 s ALA 277 CO 0.02 0.20 -0.04 0.42 0.00 0.00 0.00 175.76 176.36 3a12 s ILE 278 N -1.96 3.69 -0.23 0.00 1.01 -1.26 -0.61 121.20 121.86 3a12 s ILE 278 Ca 0.56 -0.41 -0.14 0.00 0.00 0.00 0.00 60.65 60.66 3a12 s ILE 278 Cb -0.12 -2.64 -0.04 0.00 0.01 0.00 0.00 42.46 39.67 3a12 s ILE 278 CO 0.17 0.46 0.33 -2.28 0.00 0.00 0.00 174.94 173.62 3a12 s HIS 279 N 0.80 3.32 -0.32 3.97 5.65 0.05 -1.90 115.29 126.86 3a12 s HIS 279 Ca -0.01 0.46 -0.11 0.00 0.25 0.00 0.00 55.06 55.65 3a12 s HIS 279 Cb -0.15 -2.47 -0.02 0.00 -1.18 0.00 0.00 32.58 28.76 3a12 s HIS 279 CO 0.02 -0.05 0.19 0.20 -0.65 0.00 0.00 174.74 174.45 3a12 s GLY 280 N 1.21 1.91 -0.14 1.59 0.00 0.18 -0.97 107.32 111.10 3a12 s GLY 280 Ca 0.15 -1.34 -0.07 0.00 0.00 0.00 0.00 44.72 43.46 3a12 s GLY 280 CO 0.08 0.72 0.10 -1.58 0.00 0.00 0.00 173.10 172.42 3a12 s HIS 281 N 1.68 3.42 -0.27 1.90 2.46 -0.23 -2.66 115.29 121.59 3a12 s HIS 281 Ca 0.06 0.35 0.13 0.00 0.47 0.00 0.00 55.06 56.06 3a12 s HIS 281 Cb -0.17 -1.99 0.74 0.00 -0.13 0.00 0.00 32.58 31.03 3a12 s HIS 281 CO 0.09 0.49 1.72 2.89 -2.47 0.00 0.00 174.74 177.45 3a12 n ARG 282 N 2.63 4.05 -1.57 2.88 1.85 -1.26 -1.06 116.66 124.18 3a12 n ARG 282 Ca -0.18 -3.10 -0.52 0.00 -1.00 0.00 0.00 57.85 53.05 3a12 n ARG 282 Cb 0.54 -2.17 -0.06 0.00 -1.05 0.00 0.00 32.46 29.72 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 0.08 -1.26 0.00 2.89 0.00 -1.26 -0.87 120.51 120.09 3a12 n ALA 283 Ca 0.32 0.51 0.00 0.00 0.00 0.00 0.00 53.44 54.27 3a12 n ALA 283 Cb 1.23 -2.02 0.00 0.00 0.00 0.00 0.00 19.45 18.66 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 2.15 0.00 -0.26 0.00 0.00 -1.26 -4.13 117.12 113.62 3a12 n MET 284 Ca 0.18 0.00 0.04 0.00 -0.00 0.00 0.00 57.70 57.91 3a12 n MET 284 Cb 0.20 -0.13 0.17 0.00 0.00 0.00 0.00 33.22 33.46 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 0.66 -0.00 1.12 -0.00 -1.42 -0.66 115.15 114.85 3a12 h HIS 285 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.40 3a12 h HIS 285 Cb 0.00 -0.18 -0.00 0.00 -0.00 0.00 0.00 27.41 27.23 3a12 h HIS 285 CO 0.00 0.20 0.05 0.00 -0.00 0.00 0.00 177.93 178.18 3a12 h ALA 286 N 1.48 1.05 -1.04 6.11 0.00 -1.93 0.54 119.26 125.47 3a12 h ALA 286 Ca 0.39 -0.00 0.29 0.00 0.00 0.00 0.00 54.91 55.59 3a12 h ALA 286 Cb 0.48 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.21 3a12 h ALA 286 CO -0.31 -0.05 0.72 0.00 0.00 0.00 0.00 179.25 179.62 3a12 h ALA 287 N 1.91 2.75 0.00 0.00 0.00 -1.52 -3.24 119.26 119.15 3a12 h ALA 287 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3a12 h ALA 287 Cb 0.09 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3a12 h ALA 287 CO -0.00 -1.07 -0.09 1.97 0.00 0.00 0.00 179.25 180.05 3a12 n PHE 288 N -4.34 0.00 1.11 0.00 1.16 0.16 -4.79 117.46 110.75 3a12 n PHE 288 Ca 0.23 0.00 0.12 0.00 -1.87 0.00 0.00 57.45 55.93 3a12 n PHE 288 Cb 1.03 0.00 0.18 0.00 -1.61 0.00 0.00 39.48 39.08 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 -0.39 0.00 -0.00 1.97 -2.24 0.20 -1.35 114.28 112.47 3a12 n THR 289 Ca 0.00 -0.40 -0.21 0.00 -2.27 0.00 0.00 64.05 61.16 3a12 n THR 289 Cb 0.00 1.22 -0.14 0.00 -2.10 0.00 0.00 70.33 69.32 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 3.79 0.22 -6.33 -0.78 2.43 -1.79 -3.41 114.38 108.51 3a12 h ARG 290 Ca 0.00 -0.38 -0.57 0.00 -0.81 0.00 0.00 59.98 58.22 3a12 h ARG 290 Cb 0.85 0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 30.50 3a12 h ARG 290 CO 0.00 1.18 1.04 1.21 -1.51 0.00 0.00 179.97 181.90 3a12 s ASN 291 N -7.02 6.53 0.35 -3.80 3.84 -1.26 -4.89 114.94 108.69 3a12 s ASN 291 Ca -0.21 1.38 0.25 0.00 0.21 0.00 0.00 52.86 54.49 3a12 s ASN 291 Cb 0.05 -2.54 1.26 0.00 -0.55 0.00 0.00 41.25 39.48 3a12 s ASN 291 CO 0.75 -1.17 1.77 -0.65 -2.79 0.00 0.00 177.10 175.01 3a12 h PRO 292 N 9.98 0.00 -0.01 0.43 0.11 -1.97 -2.32 132.00 138.22 3a12 h PRO 292 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 3a12 h PRO 292 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3a12 h PRO 292 CO 1.02 0.00 -0.14 0.66 -0.21 0.00 0.00 178.00 179.33 3a12 n TYR 293 N -2.39 0.00 -3.53 0.65 4.01 -1.26 -4.88 117.16 109.76 3a12 n TYR 293 Ca -0.00 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.73 3a12 n TYR 293 Cb 0.11 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.09 3a12 n TYR 293 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 3a12 s HIS 294 N -1.47 -0.83 -1.22 -0.72 2.46 -0.87 -2.46 115.29 110.18 3a12 s HIS 294 Ca 0.15 1.49 0.00 0.00 0.47 0.00 0.00 55.06 57.17 3a12 s HIS 294 Cb 0.12 0.50 0.00 0.00 -0.13 0.00 0.00 32.58 33.07 3a12 s HIS 294 CO 0.27 -0.41 0.00 0.41 -2.47 0.00 0.00 174.74 172.54 3a12 n GLY 295 N 4.74 0.42 2.92 1.59 0.00 -0.46 -4.37 105.19 110.03 3a12 n GLY 295 Ca -0.13 -1.57 -0.22 0.00 0.00 0.00 0.00 46.02 44.10 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 -2.75 0.74 0.61 -0.61 1.01 -0.46 -0.63 121.20 119.12 3a12 s ILE 296 Ca 0.00 -0.21 -0.17 0.00 0.00 0.00 0.00 60.65 60.27 3a12 s ILE 296 Cb 0.00 -0.75 -0.03 0.00 0.01 0.00 0.00 42.46 41.69 3a12 s ILE 296 CO 0.00 0.28 1.13 -0.55 0.00 0.00 0.00 174.94 175.80 3a12 s SER 297 N 1.07 5.33 0.55 3.58 0.15 -0.47 -3.55 113.70 120.36 3a12 s SER 297 Ca -0.08 2.11 0.36 0.00 0.70 0.00 0.00 55.95 59.04 3a12 s SER 297 Cb -0.14 -2.57 1.74 0.00 -1.71 0.00 0.00 66.02 63.34 3a12 s SER 297 CO -0.01 -1.48 2.08 -0.03 1.20 0.00 0.00 173.24 175.01 3a12 h MET 298 N 0.55 0.00 -0.02 5.44 4.05 -1.91 -2.78 114.93 120.27 3a12 h MET 298 Ca -0.48 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 58.93 3a12 h MET 298 Cb 1.26 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 32.06 3a12 h MET 298 CO 0.55 0.00 0.00 0.35 0.23 0.00 0.00 176.91 178.04 3a12 h PHE 299 N 0.00 0.03 0.04 1.39 3.57 -1.90 -0.36 116.94 119.71 3a12 h PHE 299 Ca 0.00 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.52 3a12 h PHE 299 Cb 0.24 -0.01 -0.05 0.00 2.79 0.00 0.00 35.95 38.93 3a12 h PHE 299 CO 0.00 0.33 -0.36 0.28 -2.23 0.00 0.00 178.31 176.33 3a12 h VAL 300 N -0.27 0.24 -0.50 1.41 2.07 -1.68 -1.58 116.25 115.93 3a12 h VAL 300 Ca 0.01 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.62 3a12 h VAL 300 Cb 0.31 0.24 -0.08 0.00 -1.52 0.00 0.00 31.29 30.24 3a12 h VAL 300 CO 0.00 0.00 0.00 -0.07 0.02 0.00 0.00 177.57 177.52 3a12 h LEU 301 N -0.54 -0.21 -1.18 2.57 3.38 -1.50 -0.24 115.31 117.58 3a12 h LEU 301 Ca 0.05 0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 3a12 h LEU 301 Cb 0.61 0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.54 3a12 h LEU 301 CO -0.27 -0.07 0.46 0.00 0.09 0.00 0.00 178.44 178.65 3a12 h ALA 302 N 1.45 1.39 0.16 1.53 0.00 -0.76 0.19 119.26 123.22 3a12 h ALA 302 Ca 0.25 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3a12 h ALA 302 Cb 0.38 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3a12 h ALA 302 CO -0.42 0.53 -0.08 -0.22 0.00 0.00 0.00 179.25 179.06 3a12 h LYS 303 N 1.04 -0.21 -0.32 0.00 3.64 -0.28 -2.37 116.57 118.07 3a12 h LYS 303 Ca 0.27 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.70 3a12 h LYS 303 Cb -0.05 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 31.78 3a12 h LYS 303 CO -0.05 0.14 0.10 -0.07 -2.27 0.00 0.00 179.45 177.31 3a12 h LEU 304 N -0.59 0.11 -1.77 5.20 3.38 -0.69 -0.45 115.31 120.50 3a12 h LEU 304 Ca -0.02 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 3a12 h LEU 304 Cb 0.45 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 3a12 h LEU 304 CO 0.04 0.10 -0.15 1.88 0.09 0.00 0.00 178.44 180.39 3a12 h TYR 305 N 0.24 0.00 -0.13 1.13 0.05 -0.67 -0.80 116.97 116.79 3a12 h TYR 305 Ca 0.14 0.00 -0.21 0.00 0.05 0.00 0.00 58.73 58.71 3a12 h TYR 305 Cb 0.12 0.00 0.01 0.00 1.01 0.00 0.00 36.73 37.86 3a12 h TYR 305 CO -0.14 0.15 -0.76 -0.09 -1.05 0.00 0.00 178.16 176.27 3a12 h ARG 306 N 0.00 0.67 -0.42 4.88 2.43 -0.70 -0.90 114.38 120.34 3a12 h ARG 306 Ca -0.00 -0.54 -0.03 0.00 -0.81 0.00 0.00 59.98 58.59 3a12 h ARG 306 Cb 0.30 0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.94 3a12 h ARG 306 CO 0.02 1.16 0.13 -0.07 -1.51 0.00 0.00 179.97 179.70 3a12 h LEU 307 N 0.46 0.61 -1.21 3.80 3.38 -0.48 -2.74 115.31 119.12 3a12 h LEU 307 Ca -0.04 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.71 3a12 h LEU 307 Cb 1.37 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.93 3a12 h LEU 307 CO 0.15 0.66 0.43 0.40 0.09 0.00 0.00 178.44 180.16 3a12 h ILE 308 N 0.53 1.20 0.00 1.22 2.04 -1.18 -1.39 117.51 119.93 3a12 h ILE 308 Ca 0.13 -0.44 0.00 0.00 1.00 0.00 0.00 64.86 65.55 3a12 h ILE 308 Cb 0.27 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.54 3a12 h ILE 308 CO -0.00 0.21 0.00 0.61 0.00 0.00 0.00 178.15 178.97 3a12 n GLY 309 N -1.31 1.61 3.71 5.37 0.00 -0.83 -4.19 105.19 109.55 3a12 n GLY 309 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 3a12 n GLY 309 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a12 s ILE 310 N -1.72 3.05 0.04 -0.61 -1.09 -0.40 -4.05 121.20 116.41 3a12 s ILE 310 Ca 0.00 0.68 0.10 0.00 -2.23 0.00 0.00 60.65 59.19 3a12 s ILE 310 Cb 0.00 -3.43 -0.15 0.00 -1.58 0.00 0.00 42.46 37.30 3a12 s ILE 310 CO 0.00 0.03 1.26 0.44 -1.23 0.00 0.00 174.94 175.44 3a12 h ASP 311 N 7.27 0.00 -3.79 3.58 3.32 -1.77 -3.43 116.42 121.61 3a12 h ASP 311 Ca -0.42 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.36 3a12 h ASP 311 Cb 1.20 0.00 -0.28 0.00 0.22 0.00 0.00 39.33 40.47 3a12 h ASP 311 CO 0.90 0.87 -0.73 -1.10 -1.72 0.00 0.00 179.24 177.46 3a12 s GLN 312 N -2.77 0.17 -0.11 3.56 -0.21 -0.80 -0.75 119.66 118.75 3a12 s GLN 312 Ca 0.01 -0.07 -0.09 0.00 0.02 0.00 0.00 55.36 55.23 3a12 s GLN 312 Cb 0.09 -0.17 0.03 0.00 1.00 0.00 0.00 33.01 33.97 3a12 s GLN 312 CO 0.80 0.04 0.29 -1.17 -2.12 0.00 0.00 175.29 173.13 3a12 s LEU 313 N -0.01 0.76 0.31 2.90 2.96 -0.53 0.47 118.68 125.54 3a12 s LEU 313 Ca 0.00 0.59 -0.28 0.00 -0.22 0.00 0.00 54.13 54.22 3a12 s LEU 313 Cb -0.01 0.97 -0.09 0.00 0.50 0.00 0.00 46.19 47.56 3a12 s LEU 313 CO -0.00 -0.12 1.11 -1.00 -1.32 0.00 0.00 176.35 175.02 3a12 s HIS 314 N 0.41 3.47 0.00 5.38 3.76 -1.09 0.71 115.29 127.93 3a12 s HIS 314 Ca -0.02 1.67 0.00 0.00 -0.15 0.00 0.00 55.06 56.56 3a12 s HIS 314 Cb -0.04 -3.29 0.00 0.00 1.11 0.00 0.00 32.58 30.36 3a12 s HIS 314 CO -0.02 -0.68 0.00 1.33 -0.85 0.00 0.00 174.74 174.52 3a12 n VAL 315 N 0.91 0.00 0.00 -0.90 0.24 -0.74 -4.83 118.33 113.01 3a12 n VAL 315 Ca 0.00 -0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3a12 n VAL 315 Cb 0.45 0.15 0.00 0.00 -1.47 0.00 0.00 33.84 32.97 3a12 n VAL 315 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3a12 n GLY 316 N 0.50 2.12 0.45 7.63 0.00 -1.26 -4.78 105.19 109.86 3a12 n GLY 316 Ca 0.00 -1.99 0.06 0.00 0.00 0.00 0.00 46.02 44.08 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 -1.57 0.00 -1.95 2.61 -2.24 -1.26 -4.28 114.28 105.59 3a12 n THR 317 Ca 0.00 -0.50 -0.09 0.00 -2.27 0.00 0.00 64.05 61.20 3a12 n THR 317 Cb 0.00 1.23 -0.01 0.00 -2.10 0.00 0.00 70.33 69.45 3a12 n THR 317 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3a12 n ALA 318 N 0.62 -0.23 0.00 6.98 0.00 -1.26 -3.15 120.51 123.47 3a12 n ALA 318 Ca 0.07 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.59 3a12 n ALA 318 Cb 0.28 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.54 3a12 n ALA 318 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a12 n GLY 319 N -1.23 2.62 0.01 0.00 0.00 -1.18 -3.88 105.19 101.52 3a12 n GLY 319 Ca -0.10 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.05 3a12 n GLY 319 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a12 n ALA 320 N -0.97 2.80 -3.15 4.61 0.00 -1.19 -4.94 120.51 117.67 3a12 n ALA 320 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.23 3a12 n ALA 320 Cb 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.11 3a12 n ALA 320 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a12 n GLY 321 N 1.47 6.38 0.06 0.00 0.00 -1.26 -4.66 105.19 107.18 3a12 n GLY 321 Ca 0.08 -2.08 0.13 0.00 0.00 0.00 0.00 46.02 44.15 3a12 n GLY 321 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3a12 n LYS 322 N -0.03 0.22 -4.16 1.61 2.85 0.09 -4.67 118.16 114.07 3a12 n LYS 322 Ca 0.00 0.11 -0.32 0.00 -1.05 0.00 0.00 58.31 57.05 3a12 n LYS 322 Cb 0.00 -1.68 -0.08 0.00 -0.65 0.00 0.00 35.03 32.62 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 -4.05 3.66 0.80 -5.58 1.43 -1.26 -4.90 118.68 108.79 3a12 s LEU 323 Ca 0.09 0.00 -0.13 0.00 -1.03 0.00 0.00 54.13 53.06 3a12 s LEU 323 Cb 0.14 -2.21 0.08 0.00 0.03 0.00 0.00 46.19 44.23 3a12 s LEU 323 CO 0.66 0.24 1.21 -0.70 0.23 0.00 0.00 176.35 177.99 3a12 s GLU 324 N -1.90 1.66 0.00 1.70 -6.30 -1.26 -4.83 118.70 107.77 3a12 s GLU 324 Ca 0.23 1.76 0.00 0.00 -2.50 0.00 0.00 54.97 54.46 3a12 s GLU 324 Cb -0.12 -1.78 0.00 0.00 0.00 0.00 0.00 34.13 32.23 3a12 s GLU 324 CO 0.15 -2.20 0.00 0.41 0.02 0.00 0.00 175.26 173.64 3a12 n GLY 325 N 0.48 1.18 3.49 -1.50 0.00 -1.26 -4.93 105.19 102.65 3a12 n GLY 325 Ca 0.13 0.14 -0.40 0.00 0.00 0.00 0.00 46.02 45.90 3a12 n GLY 325 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a12 n GLY 326 N 0.00 -1.21 0.36 -0.02 0.00 -1.26 -3.13 105.19 99.93 3a12 n GLY 326 Ca 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 46.02 45.97 3a12 n GLY 326 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3a12 h LYS 327 N 0.71 1.25 0.51 1.61 3.64 -1.97 -2.12 116.57 120.20 3a12 h LYS 327 Ca -0.43 -0.13 -0.03 0.00 -1.27 0.00 0.00 60.65 58.79 3a12 h LYS 327 Cb 1.39 -0.25 0.01 0.00 -0.41 0.00 0.00 32.23 32.96 3a12 h LYS 327 CO 0.51 0.89 -0.25 2.35 -2.27 0.00 0.00 179.45 180.68 3a12 h TRP 328 N 1.26 -0.64 -0.74 1.91 7.01 -1.90 -2.49 115.95 120.35 3a12 h TRP 328 Ca 0.32 -0.02 0.15 0.00 2.11 0.00 0.00 58.89 61.46 3a12 h TRP 328 Cb -0.02 0.21 -0.14 0.00 -2.10 0.00 0.00 29.16 27.11 3a12 h TRP 328 CO 0.01 -0.40 -0.19 -0.25 -2.79 0.00 0.00 178.44 174.82 3a12 n ASP 329 N -5.01 -0.27 0.18 2.65 8.00 -1.23 0.22 116.55 121.10 3a12 n ASP 329 Ca -0.09 1.28 0.04 0.00 0.71 0.00 0.00 54.79 56.73 3a12 n ASP 329 Cb 0.27 -0.39 0.31 0.00 -0.02 0.00 0.00 41.12 41.29 3a12 n ASP 329 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3a12 h VAL 330 N 0.00 1.07 -0.41 2.53 2.07 -1.38 -1.45 116.25 118.68 3a12 h VAL 330 Ca 0.36 -1.61 -0.12 0.00 0.82 0.00 0.00 66.70 66.15 3a12 h VAL 330 Cb 0.54 1.93 -0.01 0.00 -1.52 0.00 0.00 31.29 32.23 3a12 h VAL 330 CO -0.77 0.42 -0.22 0.40 0.02 0.00 0.00 177.57 177.42 3a12 h ILE 331 N 0.00 1.27 -0.55 4.57 2.04 0.25 -2.21 117.51 122.88 3a12 h ILE 331 Ca -0.00 -1.35 -0.11 0.00 1.00 0.00 0.00 64.86 64.40 3a12 h ILE 331 Cb 0.90 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 38.15 3a12 h ILE 331 CO 0.06 0.45 -0.07 1.56 0.00 0.00 0.00 178.15 180.15 3a12 h GLN 332 N 0.72 1.01 -0.13 2.37 1.08 -0.71 -0.55 115.11 118.91 3a12 h GLN 332 Ca 0.10 -0.35 0.01 0.00 -1.45 0.00 0.00 58.65 56.96 3a12 h GLN 332 Cb 0.75 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 28.09 3a12 h GLN 332 CO 0.06 1.04 0.03 -0.91 -0.95 0.00 0.00 178.83 178.10 3a12 h ASN 333 N 0.91 0.02 -0.71 1.46 2.35 -1.19 0.81 115.58 119.23 3a12 h ASN 333 Ca 0.15 0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.89 3a12 h ASN 333 Cb 0.63 0.02 -0.03 0.00 0.05 0.00 0.00 38.32 38.99 3a12 h ASN 333 CO 0.04 0.03 0.34 0.00 -1.65 0.00 0.00 177.43 176.19 3a12 h ALA 334 N 1.09 0.91 0.67 -0.83 0.00 -1.30 -2.84 119.26 116.96 3a12 h ALA 334 Ca 0.06 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 3a12 h ALA 334 Cb 0.04 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 17.56 3a12 h ALA 334 CO -0.07 0.48 -0.32 0.00 0.00 0.00 0.00 179.25 179.33 3a12 h ARG 335 N 0.99 -0.86 0.00 0.00 3.08 -0.69 -2.49 114.38 114.40 3a12 h ARG 335 Ca 0.24 0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.35 3a12 h ARG 335 Cb 0.12 0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.37 3a12 h ARG 335 CO -0.03 -0.56 0.24 0.97 -1.07 0.00 0.00 179.97 179.52 3a12 h ILE 336 N -0.94 0.00 0.00 2.04 6.09 -0.82 0.72 117.51 124.60 3a12 h ILE 336 Ca -0.09 0.00 -0.16 0.00 -1.37 0.00 0.00 64.86 63.24 3a12 h ILE 336 Cb 0.70 0.71 -0.03 0.00 0.47 0.00 0.00 36.82 38.68 3a12 h ILE 336 CO 0.15 0.00 -1.23 -0.07 -3.07 0.00 0.00 178.15 173.93 3a12 h LEU 337 N 0.00 0.00 0.00 2.19 4.07 -1.22 -3.42 115.31 116.93 3a12 h LEU 337 Ca 0.00 0.00 -0.14 0.00 0.08 0.00 0.00 57.88 57.82 3a12 h LEU 337 Cb 0.48 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.20 3a12 h LEU 337 CO 0.00 0.59 -1.61 0.54 -1.08 0.00 0.00 178.44 176.88 3a12 n ARG 338 N -2.97 2.06 -2.94 1.13 1.74 0.17 -0.63 116.66 115.22 3a12 n ARG 338 Ca -0.07 -0.02 -0.40 0.00 -0.77 0.00 0.00 57.85 56.59 3a12 n ARG 338 Cb 0.83 -1.24 -0.05 0.00 -1.02 0.00 0.00 32.46 30.97 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 -2.32 4.56 0.43 5.56 2.02 -0.73 -4.67 118.70 123.55 3a12 s GLU 339 Ca -0.04 1.16 0.24 0.00 0.02 0.00 0.00 54.97 56.34 3a12 s GLU 339 Cb 0.03 -3.33 0.73 0.00 0.10 0.00 0.00 34.13 31.67 3a12 s GLU 339 CO 0.39 0.39 1.74 0.66 0.02 0.00 0.00 175.26 178.46 3a12 h SER 340 N 5.12 0.00 -2.77 -0.19 4.64 -1.92 -3.41 113.55 115.02 3a12 h SER 340 Ca -0.45 0.00 -0.46 0.00 -0.47 0.00 0.00 61.79 60.41 3a12 h SER 340 Cb 1.21 0.00 -0.39 0.00 -0.31 0.00 0.00 62.40 62.91 3a12 h SER 340 CO 0.69 0.20 -0.74 -2.28 -0.87 0.00 0.00 176.83 173.83 3a12 s HIS 341 N -3.44 0.13 -0.25 4.77 5.65 -1.26 -0.78 115.29 120.10 3a12 s HIS 341 Ca 0.02 -0.51 -0.15 0.00 0.25 0.00 0.00 55.06 54.68 3a12 s HIS 341 Cb 0.09 -0.73 -0.04 0.00 -1.18 0.00 0.00 32.58 30.72 3a12 s HIS 341 CO 0.65 -0.72 0.37 -0.47 -0.65 0.00 0.00 174.74 173.92 3a12 s TYR 342 N 2.17 3.28 -0.17 3.88 5.04 0.90 -4.94 117.35 127.51 3a12 s TYR 342 Ca 0.07 0.45 0.01 0.00 -2.44 0.00 0.00 57.07 55.15 3a12 s TYR 342 Cb -0.16 -2.54 0.02 0.00 0.35 0.00 0.00 41.96 39.63 3a12 s TYR 342 CO -0.25 -0.16 -0.19 -1.59 -1.34 0.00 0.00 175.55 172.02 3a12 s LYS 343 N 1.84 2.84 0.14 4.97 0.00 -1.26 -0.47 119.74 127.80 3a12 s LYS 343 Ca 0.15 -0.77 -0.30 0.00 0.00 0.00 0.00 55.97 55.05 3a12 s LYS 343 Cb -0.15 -2.44 -0.07 0.00 0.00 0.00 0.00 37.83 35.17 3a12 s LYS 343 CO 0.09 -0.18 1.02 -1.25 0.00 0.00 0.00 175.35 175.03 3a12 s PRO 344 N 1.25 4.66 0.98 1.78 0.04 -1.26 -5.00 135.00 137.44 3a12 s PRO 344 Ca 0.03 1.56 -0.17 0.00 0.04 0.00 0.00 61.00 62.46 3a12 s PRO 344 Cb -0.13 -3.34 -0.14 0.00 0.04 0.00 0.00 34.50 30.94 3a12 s PRO 344 CO -0.11 0.16 -0.69 -0.25 0.04 0.00 0.00 177.00 176.16 3a12 n ASP 345 N 2.61 -5.66 -0.28 6.66 8.00 -1.26 -4.77 116.55 121.84 3a12 n ASP 345 Ca 0.02 0.21 0.05 0.00 0.71 0.00 0.00 54.79 55.78 3a12 n ASP 345 Cb 0.48 -0.80 0.27 0.00 -0.02 0.00 0.00 41.12 41.05 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 -1.01 0.93 -0.00 -1.24 9.09 -2.03 -2.44 114.58 117.88 3a12 h GLU 346 Ca -0.44 -0.06 0.00 0.00 0.05 0.00 0.00 59.36 58.92 3a12 h GLU 346 Cb 1.30 -0.21 0.00 0.00 -1.65 0.00 0.00 28.75 28.19 3a12 h GLU 346 CO 0.25 0.61 -0.07 0.27 0.05 0.00 0.00 179.01 180.12 3a12 n ASN 347 N -4.50 0.33 -4.59 3.06 6.94 -1.26 -4.85 115.26 110.39 3a12 n ASN 347 Ca 0.14 -0.53 -0.42 0.00 -0.02 0.00 0.00 54.58 53.74 3a12 n ASN 347 Cb 0.23 -0.12 -0.03 0.00 -2.36 0.00 0.00 39.78 37.51 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 -2.44 5.98 0.00 0.53 -1.08 -0.92 -4.87 116.67 113.87 3a12 s ASP 348 Ca 0.31 1.00 0.29 0.00 -0.52 0.00 0.00 52.55 53.63 3a12 s ASP 348 Cb 0.20 -2.53 1.18 0.00 -1.46 0.00 0.00 42.92 40.32 3a12 s ASP 348 CO 0.46 -1.69 1.82 0.55 0.52 0.00 0.00 175.17 176.83 3a12 n VAL 349 N 7.26 0.00 -0.13 1.11 3.14 -1.26 -4.44 118.33 124.02 3a12 n VAL 349 Ca 0.20 -0.18 -0.28 0.00 -2.96 0.00 0.00 64.34 61.13 3a12 n VAL 349 Cb 0.48 0.27 -0.09 0.00 -1.06 0.00 0.00 33.84 33.43 3a12 n VAL 349 CO 0.00 0.00 0.00 0.49 -6.46 0.00 0.00 176.83 170.86 3a12 n PHE 350 N -0.21 0.00 -3.99 1.45 3.72 -1.26 -4.97 117.46 112.20 3a12 n PHE 350 Ca 0.19 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.33 3a12 n PHE 350 Cb 0.31 -0.92 -0.04 0.00 -0.94 0.00 0.00 39.48 37.89 3a12 n PHE 350 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 176.76 175.70 3a12 s HIS 351 N -2.47 3.38 0.34 1.38 3.76 -1.26 -4.46 115.29 115.96 3a12 s HIS 351 Ca -0.36 0.08 0.09 0.00 -0.15 0.00 0.00 55.06 54.72 3a12 s HIS 351 Cb 0.14 -1.62 -0.05 0.00 1.11 0.00 0.00 32.58 32.16 3a12 s HIS 351 CO 0.45 0.52 0.05 -0.51 -0.85 0.00 0.00 174.74 174.40 3a12 s LEU 352 N -3.17 3.08 0.44 0.89 1.43 -1.26 -4.81 118.68 115.28 3a12 s LEU 352 Ca 0.33 -0.92 -0.24 0.00 -1.03 0.00 0.00 54.13 52.28 3a12 s LEU 352 Cb -0.11 -1.48 -0.08 0.00 0.03 0.00 0.00 46.19 44.55 3a12 s LEU 352 CO 0.27 -0.25 1.20 -0.70 0.23 0.00 0.00 176.35 177.10 3a12 s GLU 353 N -3.76 3.85 -0.25 1.70 2.12 -1.26 -4.63 118.70 116.47 3a12 s GLU 353 Ca 0.36 1.89 -0.07 0.00 0.36 0.00 0.00 54.97 57.51 3a12 s GLU 353 Cb -0.01 -2.55 0.12 0.00 0.26 0.00 0.00 34.13 31.96 3a12 s GLU 353 CO 0.20 -0.51 0.52 -1.14 -0.54 0.00 0.00 175.26 173.79 3a12 s GLN 354 N -2.50 0.45 0.18 4.30 2.00 0.39 -4.97 119.66 119.51 3a12 s GLN 354 Ca 0.61 1.11 -0.11 0.00 -2.00 0.00 0.00 55.36 54.96 3a12 s GLN 354 Cb -0.32 0.44 -0.07 0.00 0.80 0.00 0.00 33.01 33.86 3a12 s GLN 354 CO 0.39 -0.34 0.53 0.15 -0.50 0.00 0.00 175.29 175.53 3a12 s LYS 355 N 2.73 3.86 0.00 1.67 1.02 -1.26 -0.07 119.74 127.69 3a12 s LYS 355 Ca 0.02 0.34 0.03 0.00 0.02 0.00 0.00 55.97 56.37 3a12 s LYS 355 Cb -0.13 -2.79 -0.00 0.00 -0.52 0.00 0.00 37.83 34.39 3a12 s LYS 355 CO -0.16 0.40 0.37 1.19 -0.92 0.00 0.00 175.35 176.23 3a12 n PHE 356 N 0.31 0.00 0.00 3.18 3.72 0.04 -4.95 117.46 119.76 3a12 n PHE 356 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 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 -0.40 0.00 0.60 1.38 4.01 -1.25 -0.99 117.16 120.51 3a12 n TYR 357 Ca 0.01 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.87 3a12 n TYR 357 Cb 0.06 0.00 0.25 0.00 -0.31 0.00 0.00 39.34 39.33 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 7.88 2.99 -4.64 7.72 3.41 -1.26 -4.88 113.62 124.83 3a12 n SER 358 Ca 0.00 -1.93 -0.42 0.00 -0.26 0.00 0.00 58.87 56.26 3a12 n SER 358 Cb 0.00 -0.19 -0.03 0.00 -0.26 0.00 0.00 64.21 63.73 3a12 n SER 358 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3a12 s ILE 359 N -1.62 3.04 1.05 -1.33 -1.09 -0.16 -4.94 121.20 116.15 3a12 s ILE 359 Ca 0.36 0.04 -0.13 0.00 -2.23 0.00 0.00 60.65 58.70 3a12 s ILE 359 Cb 0.21 -3.03 0.22 0.00 -1.58 0.00 0.00 42.46 38.28 3a12 s ILE 359 CO 0.30 -0.01 1.08 -0.54 -1.23 0.00 0.00 174.94 174.54 3a12 s LYS 360 N 5.14 -0.02 0.24 2.79 1.02 -1.26 -4.91 119.74 122.74 3a12 s LYS 360 Ca 0.92 0.55 -0.29 0.00 0.02 0.00 0.00 55.97 57.17 3a12 s LYS 360 Cb -0.39 -1.68 -0.09 0.00 -0.52 0.00 0.00 37.83 35.15 3a12 s LYS 360 CO 0.39 -3.04 0.92 0.00 -0.92 0.00 0.00 175.35 172.69 3a12 s ALA 361 N -2.85 3.35 -0.13 5.17 0.00 -1.26 -4.60 121.76 121.43 3a12 s ALA 361 Ca 0.66 0.57 -0.06 0.00 0.00 0.00 0.00 51.96 53.14 3a12 s ALA 361 Cb -0.20 -3.17 -0.04 0.00 0.00 0.00 0.00 23.12 19.71 3a12 s ALA 361 CO 0.59 0.22 0.08 0.00 0.00 0.00 0.00 175.76 176.65 3a12 s ALA 362 N -1.21 3.59 -0.48 0.00 0.00 0.20 -0.46 121.76 123.40 3a12 s ALA 362 Ca 0.41 -0.71 -0.27 0.00 0.00 0.00 0.00 51.96 51.38 3a12 s ALA 362 Cb -0.25 -1.82 -0.02 0.00 0.00 0.00 0.00 23.12 21.03 3a12 s ALA 362 CO 0.31 0.49 1.79 -0.06 0.00 0.00 0.00 175.76 178.29 3a12 s PHE 363 N -0.62 1.80 0.35 0.00 0.08 0.07 -4.34 117.98 115.33 3a12 s PHE 363 Ca 0.12 0.71 -0.29 0.00 0.12 0.00 0.00 56.93 57.59 3a12 s PHE 363 Cb -0.12 -4.13 -0.11 0.00 -0.57 0.00 0.00 43.02 38.09 3a12 s PHE 363 CO 0.02 -2.52 1.53 -2.30 -0.10 0.00 0.00 175.22 171.85 3a12 n PRO 364 N 8.77 2.70 -5.04 0.24 -0.02 -1.26 -1.45 135.00 138.95 3a12 n PRO 364 Ca 0.21 0.95 -0.32 0.00 -2.02 0.00 0.00 63.50 62.32 3a12 n PRO 364 Cb 0.50 -2.70 -0.15 0.00 -0.02 0.00 0.00 33.50 31.13 3a12 n PRO 364 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3a12 s THR 365 N -0.79 2.63 -0.13 3.45 2.01 0.22 -0.44 115.64 122.58 3a12 s THR 365 Ca 0.56 -0.87 0.01 0.00 0.31 0.00 0.00 61.69 61.71 3a12 s THR 365 Cb -0.48 -2.01 0.02 0.00 0.01 0.00 0.00 72.50 70.04 3a12 s THR 365 CO 0.59 0.57 -0.15 -0.55 -0.69 0.00 0.00 174.62 174.39 3a12 s SER 366 N -0.36 2.63 -0.05 3.53 0.15 0.10 -1.79 113.70 117.91 3a12 s SER 366 Ca 0.03 -0.47 -0.23 0.00 0.70 0.00 0.00 55.95 55.97 3a12 s SER 366 Cb -0.12 -1.17 0.05 0.00 -1.71 0.00 0.00 66.02 63.07 3a12 s SER 366 CO 0.02 -0.01 0.52 -0.55 1.20 0.00 0.00 173.24 174.42 3a12 s SER 367 N 1.21 -0.46 0.00 5.45 0.15 -1.26 -1.27 113.70 117.52 3a12 s SER 367 Ca -0.01 0.50 0.00 0.00 0.70 0.00 0.00 55.95 57.14 3a12 s SER 367 Cb -0.14 0.50 0.00 0.00 -1.71 0.00 0.00 66.02 64.67 3a12 s SER 367 CO -0.06 -0.50 0.00 0.61 1.20 0.00 0.00 173.24 174.48 3a12 n GLY 368 N 1.23 1.55 2.02 9.45 0.00 -1.26 -4.59 105.19 113.59 3a12 n GLY 368 Ca -0.20 -0.68 -0.04 0.00 0.00 0.00 0.00 46.02 45.10 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 0.06 0.35 3.83 -0.02 0.00 -1.26 -0.73 105.19 107.42 3a12 n GLY 369 Ca 0.00 -0.66 -0.35 0.00 0.00 0.00 0.00 46.02 45.01 3a12 n GLY 369 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a12 s LEU 370 N -1.43 4.14 0.20 0.99 1.43 -1.26 -4.46 118.68 118.28 3a12 s LEU 370 Ca 0.03 0.33 -0.05 0.00 -1.03 0.00 0.00 54.13 53.42 3a12 s LEU 370 Cb -0.01 -2.12 -0.03 0.00 0.03 0.00 0.00 46.19 44.06 3a12 s LEU 370 CO 0.04 0.36 0.23 -1.38 0.23 0.00 0.00 176.35 175.84 3a12 s HIS 371 N -1.06 0.83 0.31 0.29 -3.43 -1.26 -3.71 115.29 107.26 3a12 s HIS 371 Ca 0.17 -1.12 0.09 0.00 -0.80 0.00 0.00 55.06 53.40 3a12 s HIS 371 Cb -0.12 -0.29 0.88 0.00 -1.43 0.00 0.00 32.58 31.62 3a12 s HIS 371 CO 0.07 -0.73 1.69 -1.35 -2.00 0.00 0.00 174.74 172.42 3a12 h PRO 372 N 2.54 0.41 0.00 -0.38 0.11 -1.91 0.31 132.00 133.08 3a12 h PRO 372 Ca -0.33 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.76 3a12 h PRO 372 Cb 1.24 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3a12 h PRO 372 CO 0.48 0.27 0.00 0.41 -0.21 0.00 0.00 178.00 178.96 3a12 n GLY 373 N -1.32 -0.61 0.14 -0.55 0.00 -1.26 -3.38 105.19 98.22 3a12 n GLY 373 Ca 0.26 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.97 0.08 0.14 1.61 6.94 0.09 -4.27 115.26 118.88 3a12 n ASN 374 Ca 0.14 -1.33 0.01 0.00 -0.02 0.00 0.00 54.58 53.38 3a12 n ASN 374 Cb 0.06 -0.06 0.10 0.00 -2.36 0.00 0.00 39.78 37.52 3a12 n ASN 374 CO 0.00 0.00 0.00 0.16 -1.03 0.00 0.00 177.26 176.39 3a12 h ILE 375 N 4.00 1.08 -0.11 1.53 3.07 -1.54 -3.36 117.51 122.18 3a12 h ILE 375 Ca 0.00 -2.25 0.01 0.00 1.55 0.00 0.00 64.86 64.17 3a12 h ILE 375 Cb 1.10 2.34 -0.01 0.00 -0.27 0.00 0.00 36.82 39.98 3a12 h ILE 375 CO 0.00 0.56 -0.07 1.67 -1.05 0.00 0.00 178.15 179.26 3a12 n GLN 376 N -3.38 -0.05 0.23 0.16 -0.06 -1.26 -1.10 117.38 111.92 3a12 n GLN 376 Ca 0.01 0.95 0.16 0.00 -2.00 0.00 0.00 57.00 56.11 3a12 n GLN 376 Cb 0.70 -1.42 0.75 0.00 -4.06 0.00 0.00 30.24 26.22 3a12 n GLN 376 CO 0.00 0.00 0.00 -1.00 -0.20 0.00 0.00 177.06 175.86 3a12 h PRO 377 N 0.00 0.00 0.07 3.69 0.13 -1.94 -1.27 132.00 132.68 3a12 h PRO 377 Ca 0.02 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.05 3a12 h PRO 377 Cb 0.05 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.19 3a12 h PRO 377 CO -0.11 0.00 -0.41 0.28 -0.23 0.00 0.00 178.00 177.53 3a12 h VAL 378 N 0.00 1.65 -0.23 1.56 2.07 -1.39 -2.72 116.25 117.20 3a12 h VAL 378 Ca 0.00 -2.44 0.00 0.00 0.82 0.00 0.00 66.70 65.09 3a12 h VAL 378 Cb 0.21 3.29 -0.01 0.00 -1.52 0.00 0.00 31.29 33.25 3a12 h VAL 378 CO 0.00 0.66 0.15 0.40 0.02 0.00 0.00 177.57 178.80 3a12 h ILE 379 N -0.68 1.05 -0.62 4.57 2.04 -0.54 0.44 117.51 123.77 3a12 h ILE 379 Ca -0.07 -0.10 0.05 0.00 1.00 0.00 0.00 64.86 65.74 3a12 h ILE 379 Cb 1.32 0.72 -0.05 0.00 -0.74 0.00 0.00 36.82 38.07 3a12 h ILE 379 CO 0.08 0.05 0.34 -0.33 0.00 0.00 0.00 178.15 178.29 3a12 h GLU 380 N 0.30 0.62 -0.08 2.37 5.08 -1.38 2.58 114.58 124.07 3a12 h GLU 380 Ca 0.09 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.29 3a12 h GLU 380 Cb -0.02 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 3a12 h GLU 380 CO -0.03 0.41 -0.47 0.00 -1.00 0.00 0.00 179.01 177.92 3a12 h ALA 381 N 1.32 1.05 0.00 3.43 0.00 -1.12 -3.34 119.26 120.59 3a12 h ALA 381 Ca 0.27 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3a12 h ALA 381 Cb 0.15 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3a12 h ALA 381 CO -0.17 0.63 -0.98 1.28 0.00 0.00 0.00 179.25 180.02 3a12 n LEU 382 N -3.97 0.06 0.00 0.00 4.32 0.11 -4.86 117.00 112.65 3a12 n LEU 382 Ca -0.02 -0.12 0.00 0.00 -0.02 0.00 0.00 56.01 55.85 3a12 n LEU 382 Cb 0.52 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.32 3a12 n LEU 382 CO 0.42 0.01 0.00 0.61 -1.22 0.00 0.00 177.39 177.22 3a12 n GLY 383 N 1.95 -2.26 0.09 -0.72 0.00 0.86 -4.62 105.19 100.49 3a12 n GLY 383 Ca -0.00 -1.80 0.12 0.00 0.00 0.00 0.00 46.02 44.34 3a12 n GLY 383 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a12 h THR 384 N 0.00 0.00 -1.92 2.61 1.03 -1.88 -3.41 112.91 109.33 3a12 h THR 384 Ca 0.00 -0.66 -0.75 0.00 -0.01 0.00 0.00 66.41 64.99 3a12 h THR 384 Cb 0.00 1.24 -0.18 0.00 -1.07 0.00 0.00 68.15 68.14 3a12 h THR 384 CO 0.00 0.00 1.59 0.47 -0.01 0.00 0.00 175.52 177.57 3a12 n ASP 385 N -2.32 5.26 -3.97 0.00 8.00 -1.26 -3.08 116.55 119.18 3a12 n ASP 385 Ca 0.02 -3.07 -0.09 0.00 0.71 0.00 0.00 54.79 52.36 3a12 n ASP 385 Cb 0.47 -1.50 -0.08 0.00 -0.02 0.00 0.00 41.12 40.00 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 0.56 0.14 -0.17 0.53 -4.36 -1.26 -4.43 121.20 112.20 3a12 s ILE 386 Ca 0.40 -1.46 -0.08 0.00 -0.26 0.00 0.00 60.65 59.25 3a12 s ILE 386 Cb 0.03 -1.57 -0.04 0.00 1.25 0.00 0.00 42.46 42.13 3a12 s ILE 386 CO 0.01 -0.63 0.09 -0.69 0.24 0.00 0.00 174.94 173.96 3a12 s VAL 387 N -3.92 5.09 -0.19 8.37 1.01 0.41 -1.59 120.40 129.59 3a12 s VAL 387 Ca 0.10 0.07 -0.07 0.00 0.00 0.00 0.00 61.98 62.08 3a12 s VAL 387 Cb 0.06 -3.29 -0.04 0.00 0.00 0.00 0.00 36.38 33.11 3a12 s VAL 387 CO -0.07 0.49 0.05 -0.76 0.00 0.00 0.00 175.10 174.81 3a12 s LEU 388 N 0.08 3.71 -0.21 3.92 1.43 0.20 0.03 118.68 127.83 3a12 s LEU 388 Ca 0.07 0.02 -0.04 0.00 -1.03 0.00 0.00 54.13 53.15 3a12 s LEU 388 Cb -0.12 -1.94 -0.01 0.00 0.03 0.00 0.00 46.19 44.15 3a12 s LEU 388 CO -0.00 0.15 -0.04 -1.58 0.23 0.00 0.00 176.35 175.10 3a12 s GLN 389 N 0.54 3.40 -0.32 1.70 -0.44 -0.39 -1.88 119.66 122.26 3a12 s GLN 389 Ca 0.02 -0.62 0.02 0.00 -2.50 0.00 0.00 55.36 52.29 3a12 s GLN 389 Cb -0.13 -3.00 0.09 0.00 -1.64 0.00 0.00 33.01 28.34 3a12 s GLN 389 CO 0.01 -0.16 0.05 -0.51 0.50 0.00 0.00 175.29 175.18 3a12 s LEU 390 N 1.38 3.82 0.00 3.68 1.02 -0.84 -4.25 118.68 123.50 3a12 s LEU 390 Ca 0.05 -1.89 0.00 0.00 0.02 0.00 0.00 54.13 52.30 3a12 s LEU 390 Cb -0.14 -1.38 0.00 0.00 0.02 0.00 0.00 46.19 44.69 3a12 s LEU 390 CO -0.02 -0.37 0.00 0.61 0.02 0.00 0.00 176.35 176.59 3a12 n GLY 391 N 4.46 1.44 0.30 -3.19 0.00 -1.26 -3.70 105.19 103.24 3a12 n GLY 391 Ca 0.00 0.00 0.15 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 0.00 1.58 -0.02 0.00 -1.87 -2.22 103.07 100.53 3a12 h GLY 392 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3a12 h GLY 392 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 3a12 n GLY 393 N -1.26 -0.96 0.63 4.60 0.00 -1.24 0.08 105.19 107.04 3a12 n GLY 393 Ca -0.03 -0.10 -0.13 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.29 0.66 0.00 2.61 -1.04 -0.88 -4.58 114.28 109.76 3a12 n THR 394 Ca 0.09 -0.16 -0.08 0.00 -2.04 0.00 0.00 64.05 61.87 3a12 n THR 394 Cb 0.16 -1.66 0.10 0.00 -1.82 0.00 0.00 70.33 67.11 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 -0.43 0.58 -0.01 -4.42 4.07 -1.46 -3.16 115.31 110.49 3a12 h LEU 395 Ca -0.30 -0.27 0.00 0.00 0.08 0.00 0.00 57.88 57.39 3a12 h LEU 395 Cb 1.26 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 42.83 3a12 h LEU 395 CO -0.18 0.95 0.00 0.61 -1.08 0.00 0.00 178.44 178.74 3a12 n GLY 396 N 0.06 -0.57 3.72 0.83 0.00 0.11 -4.24 105.19 105.09 3a12 n GLY 396 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 3a12 n GLY 396 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3a12 s HIS 397 N -1.99 3.37 0.36 1.61 5.04 -1.19 -4.91 115.29 117.59 3a12 s HIS 397 Ca 0.00 1.23 0.25 0.00 -1.54 0.00 0.00 55.06 55.00 3a12 s HIS 397 Cb 0.00 -3.50 1.25 0.00 0.04 0.00 0.00 32.58 30.36 3a12 s HIS 397 CO 0.00 -1.60 1.34 -2.30 -2.34 0.00 0.00 174.74 169.84 3a12 n PRO 398 N 3.56 -0.04 -0.42 2.88 -0.02 -1.26 -0.62 135.00 139.08 3a12 n PRO 398 Ca 0.08 1.10 0.08 0.00 -2.02 0.00 0.00 63.50 62.75 3a12 n PRO 398 Cb 0.45 -2.12 0.25 0.00 -0.02 0.00 0.00 33.50 32.06 3a12 n PRO 398 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3a12 n ASP 399 N -4.56 3.83 0.00 2.55 8.00 -1.26 -5.08 116.55 120.04 3a12 n ASP 399 Ca 0.34 -2.75 0.00 0.00 0.71 0.00 0.00 54.79 53.09 3a12 n ASP 399 Cb 1.28 -0.48 0.00 0.00 -0.02 0.00 0.00 41.12 41.90 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 -0.13 1.87 0.21 0.44 0.00 0.21 -4.48 105.19 103.32 3a12 n GLY 400 Ca 0.20 -2.01 -0.07 0.00 0.00 0.00 0.00 46.02 44.13 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 -0.13 -0.01 1.61 0.11 -1.75 -1.22 132.00 130.62 3a12 h PRO 401 Ca 0.00 0.01 0.03 0.00 0.11 0.00 0.00 66.00 66.15 3a12 h PRO 401 Cb 0.00 0.03 -0.05 0.00 0.11 0.00 0.00 31.00 31.09 3a12 h PRO 401 CO 0.00 -0.08 -0.34 0.00 -0.21 0.00 0.00 178.00 177.37 3a12 h ALA 402 N 1.05 -0.50 -0.87 -0.75 0.00 -1.87 -0.68 119.26 115.65 3a12 h ALA 402 Ca 0.14 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.10 3a12 h ALA 402 Cb 0.35 0.60 -0.06 0.00 0.00 0.00 0.00 17.79 18.68 3a12 h ALA 402 CO -0.35 -0.85 0.54 0.00 0.00 0.00 0.00 179.25 178.59 3a12 h ALA 403 N 0.21 1.19 -0.33 0.00 0.00 -1.76 -1.63 119.26 116.94 3a12 h ALA 403 Ca 0.06 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.02 3a12 h ALA 403 Cb 0.58 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3a12 h ALA 403 CO -0.28 0.29 0.23 0.78 0.00 0.00 0.00 179.25 180.26 3a12 h GLY 404 N 0.98 0.26 0.38 0.00 0.00 -0.17 -0.53 103.07 103.99 3a12 h GLY 404 Ca 0.38 -0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.61 3a12 h GLY 404 CO -0.17 0.07 -0.05 0.00 0.00 0.00 0.00 176.54 176.38 3a12 h ALA 405 N 1.82 0.02 -0.59 3.60 0.00 -0.20 -2.69 119.26 121.22 3a12 h ALA 405 Ca 0.15 -0.36 0.09 0.00 0.00 0.00 0.00 54.91 54.79 3a12 h ALA 405 Cb 0.31 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 3a12 h ALA 405 CO -0.03 -0.11 0.40 0.00 0.00 0.00 0.00 179.25 179.52 3a12 h ARG 406 N -0.60 0.41 -0.52 0.00 3.08 -1.09 -1.04 114.38 114.62 3a12 h ARG 406 Ca -0.00 -0.02 -0.11 0.00 0.07 0.00 0.00 59.98 59.91 3a12 h ARG 406 Cb 0.73 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.67 3a12 h ARG 406 CO 0.01 0.27 -0.11 0.00 -1.07 0.00 0.00 179.97 179.07 3a12 h ALA 407 N 1.70 0.81 -0.52 0.04 0.00 -1.09 -0.83 119.26 119.36 3a12 h ALA 407 Ca 0.27 -0.35 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 3a12 h ALA 407 Cb 0.51 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3a12 h ALA 407 CO -0.08 0.66 -0.03 0.28 0.00 0.00 0.00 179.25 180.09 3a12 h VAL 408 N 0.88 1.27 -0.23 0.00 2.07 -0.88 -1.73 116.25 117.62 3a12 h VAL 408 Ca 0.14 -1.14 -0.04 0.00 0.82 0.00 0.00 66.70 66.48 3a12 h VAL 408 Cb 0.66 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 3a12 h VAL 408 CO 0.05 0.40 -0.02 0.03 0.02 0.00 0.00 177.57 178.05 3a12 h ARG 409 N 0.81 0.42 -0.02 1.57 2.47 -1.15 -1.54 114.38 116.95 3a12 h ARG 409 Ca 0.14 -0.15 0.02 0.00 -1.26 0.00 0.00 59.98 58.74 3a12 h ARG 409 Cb 0.56 -0.03 -0.05 0.00 -1.65 0.00 0.00 29.97 28.80 3a12 h ARG 409 CO 0.03 0.63 -0.50 1.96 0.56 0.00 0.00 179.97 182.65 3a12 h GLN 410 N 0.18 -0.59 -0.81 0.04 4.20 -1.13 0.43 115.11 117.42 3a12 h GLN 410 Ca 0.06 0.04 0.22 0.00 0.06 0.00 0.00 58.65 59.03 3a12 h GLN 410 Cb 0.45 0.13 -0.04 0.00 0.30 0.00 0.00 27.48 28.32 3a12 h GLN 410 CO 0.02 -0.39 0.57 0.00 -0.67 0.00 0.00 178.83 178.35 3a12 h ALA 411 N -0.50 2.58 -0.02 3.87 0.00 -1.26 0.28 119.26 124.21 3a12 h ALA 411 Ca 0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3a12 h ALA 411 Cb 0.66 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3a12 h ALA 411 CO -0.34 -0.82 -0.06 0.82 0.00 0.00 0.00 179.25 178.85 3a12 h ILE 412 N 0.12 1.46 -0.70 0.00 2.04 -0.13 -2.11 117.51 118.19 3a12 h ILE 412 Ca 0.40 -1.46 0.10 0.00 1.00 0.00 0.00 64.86 64.90 3a12 h ILE 412 Cb 1.39 2.39 -0.08 0.00 -0.74 0.00 0.00 36.82 39.78 3a12 h ILE 412 CO -0.05 0.39 0.31 0.44 0.00 0.00 0.00 178.15 179.24 3a12 h ASP 413 N -0.49 0.36 -0.20 1.72 3.32 0.15 -1.65 116.42 119.64 3a12 h ASP 413 Ca -0.00 0.08 0.01 0.00 0.02 0.00 0.00 57.03 57.13 3a12 h ASP 413 Cb 0.67 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.23 3a12 h ASP 413 CO 0.01 0.19 0.11 0.00 -1.72 0.00 0.00 179.24 177.84 3a12 h ALA 414 N 1.45 0.24 -0.08 3.45 0.00 -0.52 -2.62 119.26 121.18 3a12 h ALA 414 Ca 0.35 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.20 3a12 h ALA 414 Cb 0.43 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3a12 h ALA 414 CO -0.31 -0.30 -0.24 0.82 0.00 0.00 0.00 179.25 179.23 3a12 h ILE 415 N 0.24 1.21 -0.01 0.00 2.04 -0.99 -2.12 117.51 117.88 3a12 h ILE 415 Ca 0.08 -0.98 -0.09 0.00 1.00 0.00 0.00 64.86 64.87 3a12 h ILE 415 Cb -0.01 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.47 3a12 h ILE 415 CO -0.04 0.29 -0.41 0.24 0.00 0.00 0.00 178.15 178.23 3a12 h MET 416 N 0.13 0.01 -0.59 2.37 2.86 -1.05 -3.12 114.93 115.54 3a12 h MET 416 Ca 0.02 -0.01 -0.30 0.00 -2.06 0.00 0.00 59.70 57.36 3a12 h MET 416 Cb 0.50 -0.00 -0.18 0.00 0.06 0.00 0.00 31.60 31.98 3a12 h MET 416 CO 0.03 0.43 0.19 1.04 1.06 0.00 0.00 176.91 179.66 3a12 n GLN 417 N -4.04 2.06 0.00 1.72 6.02 -0.84 -4.95 117.38 117.35 3a12 n GLN 417 Ca -0.02 -3.12 0.00 0.00 -0.01 0.00 0.00 57.00 53.85 3a12 n GLN 417 Cb 0.45 -1.96 0.00 0.00 1.02 0.00 0.00 30.24 29.75 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 -1.09 0.00 3.58 1.08 0.00 -1.02 -4.86 105.19 102.87 3a12 n GLY 418 Ca 0.43 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.76 3.30 0.46 -0.61 1.01 -0.95 -4.95 121.20 118.71 3a12 s ILE 419 Ca 0.00 0.26 -0.20 0.00 0.00 0.00 0.00 60.65 60.71 3a12 s ILE 419 Cb 0.00 -3.54 -0.14 0.00 0.01 0.00 0.00 42.46 38.79 3a12 s ILE 419 CO 0.00 -0.43 0.22 -2.65 0.00 0.00 0.00 174.94 172.07 3a12 n PRO 420 N 8.78 0.22 0.04 2.79 -0.02 -1.26 -4.40 135.00 141.14 3a12 n PRO 420 Ca 0.25 0.08 -0.13 0.00 -2.02 0.00 0.00 63.50 61.69 3a12 n PRO 420 Cb 0.49 -1.23 -0.09 0.00 -0.02 0.00 0.00 33.50 32.65 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 0.34 -0.08 -0.78 2.45 3.38 -1.93 0.12 115.31 118.82 3a12 h LEU 421 Ca -0.40 -0.32 0.18 0.00 0.09 0.00 0.00 57.88 57.42 3a12 h LEU 421 Cb 1.43 0.02 -0.12 0.00 0.09 0.00 0.00 40.66 42.08 3a12 h LEU 421 CO 0.47 0.29 0.20 0.44 0.09 0.00 0.00 178.44 179.92 3a12 h ASP 422 N -0.46 0.02 -0.22 -0.43 3.32 -1.96 1.40 116.42 118.10 3a12 h ASP 422 Ca -0.01 0.16 -0.05 0.00 0.02 0.00 0.00 57.03 57.15 3a12 h ASP 422 Cb 0.40 0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.15 3a12 h ASP 422 CO 0.02 -0.06 -0.04 -0.33 -1.72 0.00 0.00 179.24 177.11 3a12 h GLU 423 N 0.27 0.42 0.00 3.56 3.07 -1.88 -2.82 114.58 117.20 3a12 h GLU 423 Ca 0.45 -0.15 -0.02 0.00 -0.50 0.00 0.00 59.36 59.13 3a12 h GLU 423 Cb 0.80 -0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 28.68 3a12 h GLU 423 CO -0.54 0.65 -0.10 -0.92 -1.40 0.00 0.00 179.01 176.69 3a12 h TYR 424 N 0.16 0.00 -0.01 4.33 3.20 0.13 -2.34 116.97 122.44 3a12 h TYR 424 Ca 0.06 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.93 3a12 h TYR 424 Cb 0.49 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.76 3a12 h TYR 424 CO 0.05 0.10 0.00 0.00 -1.64 0.00 0.00 178.16 176.67 3a12 n ALA 425 N -2.34 2.51 -0.00 1.82 0.00 0.46 -3.37 120.51 119.58 3a12 n ALA 425 Ca -0.02 -0.02 -0.04 0.00 0.00 0.00 0.00 53.44 53.36 3a12 n ALA 425 Cb 0.20 -1.00 -0.11 0.00 0.00 0.00 0.00 19.45 18.53 3a12 n ALA 425 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3a12 n LYS 426 N -0.30 0.63 -0.04 0.00 2.85 -0.88 -4.28 118.16 116.13 3a12 n LYS 426 Ca 0.00 0.23 0.06 0.00 -1.05 0.00 0.00 58.31 57.55 3a12 n LYS 426 Cb 0.10 -1.78 0.08 0.00 -0.65 0.00 0.00 35.03 32.79 3a12 n LYS 426 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 3a12 n THR 427 N -2.93 1.52 -3.63 0.58 -2.24 -1.22 -4.91 114.28 101.46 3a12 n THR 427 Ca -0.14 -1.74 -0.29 0.00 -2.27 0.00 0.00 64.05 59.60 3a12 n THR 427 Cb 0.94 0.06 -0.14 0.00 -2.10 0.00 0.00 70.33 69.09 3a12 n THR 427 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3a12 s HIS 428 N -2.10 1.10 0.14 4.78 4.02 -1.24 -5.05 115.29 116.95 3a12 s HIS 428 Ca 0.19 -1.47 -0.18 0.00 1.02 0.00 0.00 55.06 54.62 3a12 s HIS 428 Cb 0.16 -1.34 0.03 0.00 -1.02 0.00 0.00 32.58 30.42 3a12 s HIS 428 CO 0.02 -0.85 1.72 1.57 1.02 0.00 0.00 174.74 178.22 3a12 h LYS 429 N 7.96 0.11 -0.77 1.40 -0.00 -1.91 -2.55 116.57 120.81 3a12 h LYS 429 Ca -0.12 -0.01 0.01 0.00 -0.00 0.00 0.00 60.65 60.53 3a12 h LYS 429 Cb 1.00 -0.02 -0.04 0.00 -0.00 0.00 0.00 32.23 33.17 3a12 h LYS 429 CO 0.44 0.07 0.51 0.93 -0.00 0.00 0.00 179.45 181.40 3a12 h GLU 430 N 0.11 1.02 -0.58 0.07 3.07 -1.96 0.20 114.58 116.51 3a12 h GLU 430 Ca 0.14 -0.06 -0.07 0.00 -0.50 0.00 0.00 59.36 58.86 3a12 h GLU 430 Cb 0.17 -0.23 -0.02 0.00 -0.84 0.00 0.00 28.75 27.83 3a12 h GLU 430 CO -0.22 0.68 0.07 1.25 -1.40 0.00 0.00 179.01 179.40 3a12 h LEU 431 N 1.05 0.94 -0.36 1.33 5.85 -1.79 -0.34 115.31 121.98 3a12 h LEU 431 Ca 0.28 -0.27 0.02 0.00 0.84 0.00 0.00 57.88 58.75 3a12 h LEU 431 Cb -0.12 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.64 3a12 h LEU 431 CO -0.06 0.97 0.20 0.00 -0.34 0.00 0.00 178.44 179.21 3a12 h ALA 432 N 1.00 0.45 -0.65 1.25 0.00 -0.94 0.15 119.26 120.52 3a12 h ALA 432 Ca 0.17 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3a12 h ALA 432 Cb 0.45 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 3a12 h ALA 432 CO 0.02 -0.16 0.37 0.00 0.00 0.00 0.00 179.25 179.48 3a12 h ARG 433 N 0.41 0.88 -0.13 0.00 2.47 -0.40 0.19 114.38 117.81 3a12 h ARG 433 Ca 0.15 -0.08 -0.03 0.00 -1.26 0.00 0.00 59.98 58.75 3a12 h ARG 433 Cb 0.03 -0.18 -0.00 0.00 -1.65 0.00 0.00 29.97 28.16 3a12 h ARG 433 CO -0.08 0.64 -0.04 0.00 0.56 0.00 0.00 179.97 181.05 3a12 h ALA 434 N 1.51 0.17 -0.46 0.04 0.00 -0.49 -1.90 119.26 118.13 3a12 h ALA 434 Ca 0.23 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3a12 h ALA 434 Cb -0.01 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3a12 h ALA 434 CO -0.04 -0.07 0.19 -0.07 0.00 0.00 0.00 179.25 179.26 3a12 h LEU 435 N -0.08 0.59 -0.16 0.00 3.38 -0.71 -0.36 115.31 117.97 3a12 h LEU 435 Ca 0.03 -0.06 0.04 0.00 0.09 0.00 0.00 57.88 57.98 3a12 h LEU 435 Cb 0.47 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 3a12 h LEU 435 CO 0.01 0.53 -0.10 -0.08 0.09 0.00 0.00 178.44 178.89 3a12 h GLU 436 N 0.65 -0.09 -0.04 1.13 4.81 -0.39 0.63 114.58 121.28 3a12 h GLU 436 Ca 0.16 0.01 -0.20 0.00 -0.13 0.00 0.00 59.36 59.20 3a12 h GLU 436 Cb 0.12 0.02 0.01 0.00 0.63 0.00 0.00 28.75 29.53 3a12 h GLU 436 CO -0.02 -0.06 -0.75 -0.22 -0.73 0.00 0.00 179.01 177.23 3a12 h LYS 437 N -0.09 0.58 0.00 1.92 3.64 -0.74 -3.38 116.57 118.50 3a12 h LYS 437 Ca 0.10 -0.57 -0.01 0.00 -1.27 0.00 0.00 60.65 58.89 3a12 h LYS 437 Cb 0.23 0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.20 3a12 h LYS 437 CO -0.22 1.19 -1.39 0.91 -2.27 0.00 0.00 179.45 177.67 3a12 n TRP 438 N -4.06 0.00 0.00 1.91 8.01 -0.20 -5.08 117.44 118.01 3a12 n TRP 438 Ca -0.10 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.09 3a12 n TRP 438 Cb 0.74 -0.20 0.00 0.00 -2.01 0.00 0.00 31.31 29.84 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 2.06 3.53 1.87 6.99 0.00 0.22 -2.20 105.19 117.67 3a12 n GLY 439 Ca -0.02 -0.10 -0.20 0.00 0.00 0.00 0.00 46.02 45.70 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 13.86 2.39 -2.54 1.61 8.25 -1.26 -4.02 115.22 133.51 3a12 n HIS 440 Ca 0.00 -2.13 -0.29 0.00 -0.26 0.00 0.00 57.72 55.04 3a12 n HIS 440 Cb 0.00 -0.33 -0.01 0.00 1.12 0.00 0.00 29.99 30.77 3a12 n HIS 440 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3a12 s VAL 441 N -4.41 4.81 -0.36 1.59 0.11 -0.94 -4.83 120.40 116.37 3a12 s VAL 441 Ca 0.49 0.53 -0.02 0.00 -2.93 0.00 0.00 61.98 60.05 3a12 s VAL 441 Cb 0.40 -3.82 0.08 0.00 -1.53 0.00 0.00 36.38 31.52 3a12 s VAL 441 CO 0.02 -0.79 0.11 -0.89 -3.33 0.00 0.00 175.10 170.22 3a12 s THR 442 N -2.70 3.06 0.63 5.04 2.01 -1.26 -4.78 115.64 117.64 3a12 s THR 442 Ca 0.51 -1.82 -0.18 0.00 0.31 0.00 0.00 61.69 60.51 3a12 s THR 442 Cb -0.10 -2.98 -0.02 0.00 0.01 0.00 0.00 72.50 69.41 3a12 s THR 442 CO 0.41 -0.45 1.23 -2.84 -0.69 0.00 0.00 174.62 172.29 3a12 s PRO 443 N 1.16 2.73 0.00 4.92 0.02 -1.26 -4.99 135.00 137.57 3a12 s PRO 443 Ca 0.03 1.88 0.00 0.00 0.02 0.00 0.00 61.00 62.94 3a12 s PRO 443 Cb -0.21 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.42 3a12 s PRO 443 CO -0.03 -1.41 0.00 0.28 -0.33 0.00 0.00 177.00 175.50