#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ith s ILE 2 N 0.00 1.38 0.27 0.52 1.01 -1.26 -4.40 121.20 118.72 3ith s ILE 2 Ca 0.00 -1.36 -0.28 0.00 0.00 0.00 0.00 60.65 59.01 3ith s ILE 2 Cb 0.00 -1.82 -0.15 0.00 0.01 0.00 0.00 42.46 40.50 3ith s ILE 2 CO 0.00 -0.32 0.80 -0.24 0.00 0.00 0.00 174.94 175.17 3ith n SER 3 N 4.69 0.22 -0.20 3.58 2.88 0.22 -4.84 113.62 120.18 3ith n SER 3 Ca -0.07 1.14 0.03 0.00 -1.33 0.00 0.00 58.87 58.64 3ith n SER 3 Cb 0.44 -1.16 0.12 0.00 -0.75 0.00 0.00 64.21 62.86 3ith n SER 3 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 3ith n PRO 4 N 0.81 1.25 -1.10 -1.46 -0.02 -1.26 -4.41 135.00 128.80 3ith n PRO 4 Ca 0.13 -0.39 -0.34 0.00 -2.02 0.00 0.00 63.50 60.88 3ith n PRO 4 Cb 0.30 -1.12 0.12 0.00 -0.02 0.00 0.00 33.50 32.77 3ith n PRO 4 CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99 3ith n ILE 5 N -0.22 1.79 -2.51 4.25 3.06 -1.26 -4.95 119.36 119.51 3ith n ILE 5 Ca 0.05 -0.24 -0.41 0.00 -2.50 0.00 0.00 62.75 59.65 3ith n ILE 5 Cb 0.10 -1.05 -0.04 0.00 0.54 0.00 0.00 39.64 39.19 3ith n ILE 5 CO 0.00 0.00 0.00 -1.61 -2.50 0.00 0.00 176.55 172.44 3ith s GLU 6 N -3.79 4.63 0.77 9.51 2.02 -1.26 -4.83 118.70 125.74 3ith s GLU 6 Ca 0.70 1.74 -0.11 0.00 0.02 0.00 0.00 54.97 57.32 3ith s GLU 6 Cb -0.29 -3.24 0.05 0.00 0.10 0.00 0.00 34.13 30.75 3ith s GLU 6 CO 0.54 0.15 1.08 0.95 0.02 0.00 0.00 175.26 178.00 3ith s THR 7 N -0.65 3.39 -0.16 3.63 -4.23 -1.26 -5.02 115.64 111.35 3ith s THR 7 Ca 0.47 0.45 -0.16 0.00 -1.18 0.00 0.00 61.69 61.27 3ith s THR 7 Cb -0.30 -3.11 -0.04 0.00 1.34 0.00 0.00 72.50 70.39 3ith s THR 7 CO 0.37 -0.59 0.41 -0.69 -0.54 0.00 0.00 174.62 173.58 3ith s VAL 8 N -3.04 5.21 0.21 2.29 1.01 -1.26 -4.98 120.40 119.85 3ith s VAL 8 Ca 0.60 0.78 -0.30 0.00 0.00 0.00 0.00 61.98 63.06 3ith s VAL 8 Cb -0.15 -3.75 -0.10 0.00 0.00 0.00 0.00 36.38 32.38 3ith s VAL 8 CO 0.55 0.31 1.44 -2.16 0.00 0.00 0.00 175.10 175.24 3ith s PRO 9 N 0.86 4.28 -0.14 2.72 0.04 -1.26 -4.07 135.00 137.44 3ith s PRO 9 Ca 0.21 2.25 -0.01 0.00 0.04 0.00 0.00 61.00 63.50 3ith s PRO 9 Cb -0.14 -3.15 0.03 0.00 0.04 0.00 0.00 34.50 31.28 3ith s PRO 9 CO 0.08 -0.43 -0.06 0.08 0.04 0.00 0.00 177.00 176.71 3ith s VAL 10 N 0.35 1.05 0.07 -0.36 1.01 -1.26 -5.06 120.40 116.20 3ith s VAL 10 Ca 0.61 -0.47 -0.07 0.00 0.00 0.00 0.00 61.98 62.06 3ith s VAL 10 Cb -0.41 -1.17 -0.05 0.00 0.00 0.00 0.00 36.38 34.75 3ith s VAL 10 CO 0.39 0.23 0.34 -1.59 0.00 0.00 0.00 175.10 174.46 3ith s LYS 11 N 1.67 3.64 0.65 2.72 -2.85 -1.26 -4.78 119.74 119.54 3ith s LYS 11 Ca 0.03 -0.02 -0.16 0.00 -1.00 0.00 0.00 55.97 54.82 3ith s LYS 11 Cb -0.14 -2.99 -0.00 0.00 -2.06 0.00 0.00 37.83 32.64 3ith s LYS 11 CO -0.08 0.57 1.13 -0.51 0.10 0.00 0.00 175.35 176.56 3ith s LEU 12 N -2.09 3.43 0.57 2.77 1.43 -1.26 -2.31 118.68 121.21 3ith s LEU 12 Ca 0.33 2.08 -0.18 0.00 -1.03 0.00 0.00 54.13 55.34 3ith s LEU 12 Cb -0.13 -4.56 -0.09 0.00 0.03 0.00 0.00 46.19 41.44 3ith s LEU 12 CO 0.20 -1.67 0.51 0.29 0.23 0.00 0.00 176.35 175.91 3ith n LYS 13 N -2.30 0.50 -1.64 1.70 5.02 0.15 -4.64 118.16 116.95 3ith n LYS 13 Ca 0.11 0.20 -0.64 0.00 -2.02 0.00 0.00 58.31 55.96 3ith n LYS 13 Cb 0.52 -1.69 -0.09 0.00 -0.02 0.00 0.00 35.03 33.75 3ith n LYS 13 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3ith n PRO 14 N -0.02 0.04 -3.63 1.97 -0.04 -1.26 -2.13 135.00 129.93 3ith n PRO 14 Ca 0.12 0.02 -0.30 0.00 -0.04 0.00 0.00 63.50 63.29 3ith n PRO 14 Cb 0.47 -1.52 0.02 0.00 -0.04 0.00 0.00 33.50 32.43 3ith n PRO 14 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3ith n GLY 15 N 2.87 -0.68 2.83 0.55 0.00 -1.26 -5.00 105.19 104.50 3ith n GLY 15 Ca 0.26 0.81 -0.14 0.00 0.00 0.00 0.00 46.02 46.95 3ith n GLY 15 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3ith n MET 16 N -1.61 0.51 -3.72 1.61 2.81 -0.90 -5.18 117.12 110.63 3ith n MET 16 Ca -0.23 -2.56 -0.11 0.00 -1.81 0.00 0.00 57.70 53.00 3ith n MET 16 Cb 0.67 2.32 -0.06 0.00 -0.71 0.00 0.00 33.22 35.44 3ith n MET 16 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 3ith s ASP 17 N -2.90 -0.14 1.10 7.83 2.15 -1.26 -4.91 116.67 118.54 3ith s ASP 17 Ca 0.28 -0.28 -0.13 0.00 0.43 0.00 0.00 52.55 52.86 3ith s ASP 17 Cb 0.00 0.40 0.25 0.00 -0.30 0.00 0.00 42.92 43.27 3ith s ASP 17 CO 0.20 -0.71 1.05 -0.83 -0.17 0.00 0.00 175.17 174.71 3ith s GLY 18 N -2.40 1.55 -0.18 2.66 0.00 -1.26 -4.92 107.32 102.77 3ith s GLY 18 Ca -0.01 -0.25 -0.29 0.00 0.00 0.00 0.00 44.72 44.17 3ith s GLY 18 CO -0.07 0.44 1.50 2.56 0.00 0.00 0.00 173.10 177.53 3ith s PRO 19 N -4.67 4.00 -0.40 2.90 0.04 -1.26 -4.91 135.00 130.70 3ith s PRO 19 Ca 0.67 1.73 0.05 0.00 0.04 0.00 0.00 61.00 63.50 3ith s PRO 19 Cb -0.22 -3.94 0.49 0.00 0.04 0.00 0.00 34.50 30.87 3ith s PRO 19 CO 0.62 -1.03 1.56 1.63 0.04 0.00 0.00 177.00 179.82 3ith n LYS 20 N 7.25 2.58 -2.31 4.56 5.02 -1.25 0.19 118.16 134.19 3ith n LYS 20 Ca 0.17 -3.49 -0.43 0.00 -2.02 0.00 0.00 58.31 52.54 3ith n LYS 20 Cb 0.45 -2.09 -0.02 0.00 -0.02 0.00 0.00 35.03 33.34 3ith n LYS 20 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3ith s VAL 21 N -4.02 3.94 0.40 -0.18 1.01 -1.10 -4.78 120.40 115.67 3ith s VAL 21 Ca 0.52 1.04 -0.25 0.00 0.00 0.00 0.00 61.98 63.29 3ith s VAL 21 Cb 0.44 -4.04 -0.08 0.00 0.00 0.00 0.00 36.38 32.69 3ith s VAL 21 CO 0.01 -0.51 1.16 -0.75 0.00 0.00 0.00 175.10 175.01 3ith s LYS 22 N 4.56 4.08 0.36 2.72 2.20 -1.26 -4.10 119.74 128.30 3ith s LYS 22 Ca 0.62 1.81 -0.28 0.00 -0.36 0.00 0.00 55.97 57.76 3ith s LYS 22 Cb -0.18 -2.68 -0.10 0.00 -1.51 0.00 0.00 37.83 33.37 3ith s LYS 22 CO 0.28 -0.29 1.27 -1.14 -0.36 0.00 0.00 175.35 175.11 3ith s GLN 23 N -2.29 4.24 -0.83 4.03 2.00 -1.26 -4.87 119.66 120.67 3ith s GLN 23 Ca 0.57 2.12 0.01 0.00 -2.00 0.00 0.00 55.36 56.06 3ith s GLN 23 Cb -0.30 -2.95 0.24 0.00 0.80 0.00 0.00 33.01 30.80 3ith s GLN 23 CO 0.38 -0.25 0.84 0.91 -0.50 0.00 0.00 175.29 176.66 3ith n TRP 24 N 0.56 3.63 0.00 1.67 7.02 -1.26 -5.03 117.44 124.03 3ith n TRP 24 Ca 0.01 -3.93 0.00 0.00 -1.02 0.00 0.00 57.50 52.56 3ith n TRP 24 Cb 0.43 -0.92 0.00 0.00 -2.42 0.00 0.00 31.31 28.40 3ith n TRP 24 CO 0.00 0.00 0.00 -0.35 -2.02 0.00 0.00 177.69 175.32 3ith n PRO 25 N 1.68 0.49 -2.00 -0.99 -0.04 -1.26 -5.03 135.00 127.85 3ith n PRO 25 Ca 0.24 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.70 3ith n PRO 25 Cb 0.37 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.83 3ith n PRO 25 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3ith n LEU 26 N 0.00 -5.73 0.00 1.53 4.77 -1.26 -5.02 117.00 111.29 3ith n LEU 26 Ca 0.00 2.64 0.00 0.00 -0.03 0.00 0.00 56.01 58.62 3ith n LEU 26 Cb 0.00 -2.89 0.00 0.00 -2.33 0.00 0.00 43.42 38.20 3ith n LEU 26 CO 0.00 -1.99 0.00 0.41 -1.33 0.00 0.00 177.39 174.48 3ith n THR 27 N 1.60 0.00 -0.05 -5.08 -1.04 -1.26 -4.98 114.28 103.47 3ith n THR 27 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3ith n THR 27 Cb 0.00 0.04 0.00 0.00 -1.82 0.00 0.00 70.33 68.55 3ith n THR 27 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3ith n GLU 28 N 0.00 0.00 -5.11 -2.82 -0.58 -1.26 -4.81 120.64 106.06 3ith n GLU 28 Ca 0.00 0.00 -0.32 0.00 -0.42 0.00 0.00 57.16 56.42 3ith n GLU 28 Cb 0.00 -2.60 -0.15 0.00 -0.57 0.00 0.00 31.44 28.12 3ith n GLU 28 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 3ith s GLU 29 N -0.10 2.60 0.00 3.49 -6.30 -1.26 -4.63 118.70 112.51 3ith s GLU 29 Ca 0.00 -0.83 0.00 0.00 -2.50 0.00 0.00 54.97 51.64 3ith s GLU 29 Cb 0.00 -2.26 0.00 0.00 0.00 0.00 0.00 34.13 31.87 3ith s GLU 29 CO 0.00 0.44 0.00 1.17 0.02 0.00 0.00 175.26 176.89 3ith n LYS 30 N 2.81 0.00 0.00 4.30 4.81 -1.26 -4.63 118.16 124.19 3ith n LYS 30 Ca -0.17 0.00 0.06 0.00 -0.87 0.00 0.00 58.31 57.32 3ith n LYS 30 Cb 0.52 -1.44 0.30 0.00 0.02 0.00 0.00 35.03 34.44 3ith n LYS 30 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 3ith n ILE 31 N -1.55 0.44 -0.05 3.15 2.08 -1.26 -0.08 119.36 122.08 3ith n ILE 31 Ca 0.00 0.11 -0.00 0.00 0.56 0.00 0.00 62.75 63.42 3ith n ILE 31 Cb 0.00 -0.93 -0.15 0.00 -0.75 0.00 0.00 39.64 37.81 3ith n ILE 31 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 3ith n LYS 32 N -1.17 0.78 -0.16 0.38 5.02 -1.26 -4.34 118.16 117.41 3ith n LYS 32 Ca 0.07 -0.09 -0.08 0.00 -2.02 0.00 0.00 58.31 56.18 3ith n LYS 32 Cb 0.07 -1.48 0.06 0.00 -0.02 0.00 0.00 35.03 33.65 3ith n LYS 32 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3ith h ALA 33 N 1.37 0.86 -2.09 7.82 0.00 -0.85 -3.34 119.26 123.02 3ith h ALA 33 Ca -0.27 -0.33 -0.43 0.00 0.00 0.00 0.00 54.91 53.88 3ith h ALA 33 Cb 1.57 -0.19 0.17 0.00 0.00 0.00 0.00 17.79 19.35 3ith h ALA 33 CO 0.01 0.65 0.25 -0.51 0.00 0.00 0.00 179.25 179.66 3ith s LEU 34 N -9.16 1.54 0.00 0.00 1.43 -0.58 -2.23 118.68 109.68 3ith s LEU 34 Ca -0.11 0.57 0.00 0.00 -1.03 0.00 0.00 54.13 53.57 3ith s LEU 34 Cb 0.13 -2.50 0.00 0.00 0.03 0.00 0.00 46.19 43.86 3ith s LEU 34 CO 0.85 -3.44 0.00 0.52 0.23 0.00 0.00 176.35 174.51 3ith n VAL 35 N -4.30 0.00 -0.09 -1.59 0.31 -1.26 -4.39 118.33 107.01 3ith n VAL 35 Ca 0.13 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.34 3ith n VAL 35 Cb 0.59 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 33.44 3ith n VAL 35 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3ith n GLU 36 N -1.74 0.55 0.08 5.55 2.13 -1.20 -3.18 120.64 122.84 3ith n GLU 36 Ca 0.00 0.10 -0.13 0.00 0.66 0.00 0.00 57.16 57.79 3ith n GLU 36 Cb 0.00 -1.36 -0.07 0.00 0.27 0.00 0.00 31.44 30.28 3ith n GLU 36 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 3ith h ILE 37 N 0.00 1.47 0.18 6.31 2.04 -1.65 -2.96 117.51 122.91 3ith h ILE 37 Ca -0.40 -2.74 -0.01 0.00 1.00 0.00 0.00 64.86 62.71 3ith h ILE 37 Cb 1.65 2.63 0.00 0.00 -0.74 0.00 0.00 36.82 40.35 3ith h ILE 37 CO -0.06 0.80 -0.09 0.00 0.00 0.00 0.00 178.15 178.81 3ith h THR 39 N -0.61 0.00 0.01 0.00 1.35 -1.65 0.56 112.91 112.58 3ith h THR 39 Ca -0.03 -0.25 -0.12 0.00 -0.55 0.00 0.00 66.41 65.46 3ith h THR 39 Cb 0.45 1.01 0.01 0.00 -1.73 0.00 0.00 68.15 67.89 3ith h THR 39 CO 0.04 0.00 -0.49 -0.08 -0.25 0.00 0.00 175.52 174.74 3ith h GLU 40 N 0.00 0.31 -0.05 4.72 4.57 -1.53 -3.24 114.58 119.36 3ith h GLU 40 Ca 0.00 -0.35 -0.11 0.00 -1.18 0.00 0.00 59.36 57.72 3ith h GLU 40 Cb 0.36 0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.04 3ith h GLU 40 CO 0.00 1.05 -0.48 0.52 -1.18 0.00 0.00 179.01 178.93 3ith h MET 41 N -0.28 0.13 0.00 1.92 2.86 -0.58 -1.86 114.93 117.11 3ith h MET 41 Ca -0.07 -0.07 -0.02 0.00 -2.06 0.00 0.00 59.70 57.49 3ith h MET 41 Cb 1.24 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.90 3ith h MET 41 CO 0.10 0.58 -0.10 1.49 1.06 0.00 0.00 176.91 180.04 3ith h GLU 42 N 0.10 0.00 0.16 1.72 4.81 -0.06 -1.41 114.58 119.89 3ith h GLU 42 Ca 0.00 0.00 -0.36 0.00 -0.13 0.00 0.00 59.36 58.88 3ith h GLU 42 Cb 0.88 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.26 3ith h GLU 42 CO 0.07 0.10 -1.86 0.87 -0.73 0.00 0.00 179.01 177.45 3ith h LYS 43 N 0.00 0.33 0.00 1.92 1.57 -1.39 -3.27 116.57 115.74 3ith h LYS 43 Ca -0.00 -0.56 0.00 0.00 -1.87 0.00 0.00 60.65 58.22 3ith h LYS 43 Cb 0.31 0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.83 3ith h LYS 43 CO 0.01 1.26 0.00 0.39 -0.57 0.00 0.00 179.45 180.54 3ith n GLU 44 N -3.53 0.22 -0.83 3.15 1.02 -0.82 -4.86 120.64 114.99 3ith n GLU 44 Ca -0.28 0.14 0.00 0.00 -0.02 0.00 0.00 57.16 57.00 3ith n GLU 44 Cb 1.06 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.98 3ith n GLU 44 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ith n GLY 45 N -0.15 0.69 0.23 0.62 0.00 -0.78 -4.80 105.19 101.00 3ith n GLY 45 Ca 0.07 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.21 3ith n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ith h LYS 46 N 2.08 0.00 0.00 1.61 1.79 -1.56 -3.43 116.57 117.06 3ith h LYS 46 Ca 0.00 0.00 -0.40 0.00 -2.18 0.00 0.00 60.65 58.07 3ith h LYS 46 Cb 0.00 0.00 -0.10 0.00 -1.58 0.00 0.00 32.23 30.55 3ith h LYS 46 CO 0.00 0.13 -0.37 0.44 -1.08 0.00 0.00 179.45 178.57 3ith n ILE 47 N -3.20 0.00 -3.63 1.86 -5.35 -1.22 -1.73 119.36 106.10 3ith n ILE 47 Ca 0.01 -2.07 -0.08 0.00 -0.27 0.00 0.00 62.75 60.34 3ith n ILE 47 Cb 0.45 1.07 -0.06 0.00 -1.74 0.00 0.00 39.64 39.36 3ith n ILE 47 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 3ith s SER 48 N -3.06 -0.32 0.32 7.28 1.04 -0.81 -4.57 113.70 113.58 3ith s SER 48 Ca 0.34 0.56 -0.29 0.00 0.48 0.00 0.00 55.95 57.04 3ith s SER 48 Cb 0.01 0.55 -0.11 0.00 0.10 0.00 0.00 66.02 66.57 3ith s SER 48 CO 0.24 -0.15 1.50 -0.54 0.98 0.00 0.00 173.24 175.27 3ith s LYS 49 N -0.15 4.17 -0.20 4.02 1.02 -1.26 -2.99 119.74 124.35 3ith s LYS 49 Ca 0.03 2.49 -0.25 0.00 0.02 0.00 0.00 55.97 58.26 3ith s LYS 49 Cb -0.04 -3.03 -0.01 0.00 -0.52 0.00 0.00 37.83 34.24 3ith s LYS 49 CO -0.07 -0.51 0.84 0.42 -0.92 0.00 0.00 175.35 175.11 3ith s ILE 50 N -0.49 4.85 0.15 2.17 1.01 -0.36 -4.97 121.20 123.57 3ith s ILE 50 Ca 0.58 1.63 -0.02 0.00 0.00 0.00 0.00 60.65 62.84 3ith s ILE 50 Cb -0.45 -4.14 0.03 0.00 0.01 0.00 0.00 42.46 37.91 3ith s ILE 50 CO 0.53 -0.02 0.21 0.61 0.00 0.00 0.00 174.94 176.26 3ith n GLY 51 N 3.57 -0.28 0.00 6.18 0.00 -1.26 -4.76 105.19 108.64 3ith n GLY 51 Ca 0.05 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.26 3ith n GLY 51 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3ith n PRO 52 N -1.42 0.00 -1.68 1.61 -0.02 -1.26 -4.69 135.00 127.54 3ith n PRO 52 Ca 0.03 0.00 -0.39 0.00 -2.02 0.00 0.00 63.50 61.12 3ith n PRO 52 Cb 0.10 0.00 0.04 0.00 -0.02 0.00 0.00 33.50 33.62 3ith n PRO 52 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3ith n GLU 53 N 0.54 1.47 0.00 -0.52 -0.58 -1.26 -4.94 120.64 115.35 3ith n GLU 53 Ca 0.00 0.54 0.00 0.00 -0.42 0.00 0.00 57.16 57.28 3ith n GLU 53 Cb 0.00 -2.36 0.00 0.00 -0.57 0.00 0.00 31.44 28.51 3ith n GLU 53 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3ith n ASN 54 N -0.52 0.00 0.00 1.62 3.02 -1.26 -5.12 115.26 113.00 3ith n ASN 54 Ca 0.11 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.66 3ith n ASN 54 Cb 0.44 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.61 3ith n ASN 54 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 3ith n PRO 55 N -0.78 0.00 -1.53 3.52 -0.04 -1.26 -5.08 135.00 129.82 3ith n PRO 55 Ca 0.00 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.56 3ith n PRO 55 Cb 0.00 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.41 3ith n PRO 55 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3ith n TYR 56 N 0.00 -4.11 -3.57 0.54 4.01 -1.26 -4.87 117.16 107.90 3ith n TYR 56 Ca 0.00 2.25 -0.10 0.00 -0.16 0.00 0.00 57.90 59.90 3ith n TYR 56 Cb 0.00 -3.60 -0.05 0.00 -0.31 0.00 0.00 39.34 35.38 3ith n TYR 56 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 3ith s ASN 57 N -6.45 -0.35 0.06 7.72 3.84 0.50 -4.82 114.94 115.43 3ith s ASN 57 Ca 0.00 0.32 0.04 0.00 0.21 0.00 0.00 52.86 53.43 3ith s ASN 57 Cb 0.00 0.30 -0.03 0.00 -0.55 0.00 0.00 41.25 40.97 3ith s ASN 57 CO 0.00 -0.37 -0.11 -0.89 -2.79 0.00 0.00 177.10 172.94 3ith s THR 58 N -1.44 0.85 1.12 -5.21 2.01 -1.01 -2.71 115.64 109.26 3ith s THR 58 Ca -0.00 -1.25 -0.12 0.00 0.31 0.00 0.00 61.69 60.62 3ith s THR 58 Cb -0.01 -0.92 0.25 0.00 0.01 0.00 0.00 72.50 71.84 3ith s THR 58 CO -0.00 -0.33 0.99 -2.65 -0.69 0.00 0.00 174.62 171.93 3ith n PRO 59 N 1.27 -1.98 -1.68 4.92 -0.02 -1.26 -4.30 135.00 131.95 3ith n PRO 59 Ca -0.21 -0.54 0.02 0.00 -2.02 0.00 0.00 63.50 60.74 3ith n PRO 59 Cb 0.55 -2.19 0.02 0.00 -0.02 0.00 0.00 33.50 31.86 3ith n PRO 59 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 3ith n VAL 60 N -4.79 0.20 -1.51 -1.45 0.24 -1.26 -3.24 118.33 106.51 3ith n VAL 60 Ca 0.05 -1.16 -0.33 0.00 -2.04 0.00 0.00 64.34 60.86 3ith n VAL 60 Cb 0.54 0.98 -0.15 0.00 -1.47 0.00 0.00 33.84 33.74 3ith n VAL 60 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 3ith n PHE 61 N 0.18 0.59 -3.03 6.34 3.72 -1.26 -4.28 117.46 119.73 3ith n PHE 61 Ca 0.00 0.21 -0.40 0.00 -0.05 0.00 0.00 57.45 57.21 3ith n PHE 61 Cb 1.02 -1.94 -0.05 0.00 -0.94 0.00 0.00 39.48 37.57 3ith n PHE 61 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3ith s ALA 62 N 7.58 3.47 -0.52 4.37 0.00 -1.26 -3.74 121.76 131.66 3ith s ALA 62 Ca 1.26 -0.05 -0.01 0.00 0.00 0.00 0.00 51.96 53.16 3ith s ALA 62 Cb -0.90 -3.04 0.14 0.00 0.00 0.00 0.00 23.12 19.31 3ith s ALA 62 CO 0.44 -0.44 0.31 -1.50 0.00 0.00 0.00 175.76 174.57 3ith s ILE 63 N 1.63 3.29 0.48 0.00 2.07 -0.28 -4.94 121.20 123.45 3ith s ILE 63 Ca 0.34 -2.68 0.23 0.00 -1.41 0.00 0.00 60.65 57.13 3ith s ILE 63 Cb -0.17 -3.21 0.40 0.00 0.13 0.00 0.00 42.46 39.61 3ith s ILE 63 CO 0.13 -0.78 1.92 0.11 -1.91 0.00 0.00 174.94 174.40 3ith h LYS 64 N 7.32 0.20 -2.32 3.50 1.57 -1.76 -3.36 116.57 121.71 3ith h LYS 64 Ca -0.06 -0.01 0.19 0.00 -1.87 0.00 0.00 60.65 58.90 3ith h LYS 64 Cb 0.98 -0.04 -0.09 0.00 0.08 0.00 0.00 32.23 33.15 3ith h LYS 64 CO 0.69 0.13 -0.60 1.17 -0.57 0.00 0.00 179.45 180.27 3ith n LYS 65 N -4.41 -1.73 -0.68 3.15 4.81 -1.26 -4.02 118.16 114.01 3ith n LYS 65 Ca 0.15 1.37 -0.08 0.00 -0.87 0.00 0.00 58.31 58.89 3ith n LYS 65 Cb 0.70 -2.28 -0.11 0.00 0.02 0.00 0.00 35.03 33.35 3ith n LYS 65 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 3ith n LYS 66 N -3.52 1.37 -0.00 1.64 4.01 -1.26 -4.11 118.16 116.28 3ith n LYS 66 Ca -0.04 -0.66 0.15 0.00 -0.51 0.00 0.00 58.31 57.25 3ith n LYS 66 Cb 0.46 -1.80 0.86 0.00 -0.51 0.00 0.00 35.03 34.04 3ith n LYS 66 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 3ith n ASP 67 N 2.57 0.06 -0.88 4.39 9.92 -1.26 -4.90 116.55 126.45 3ith n ASP 67 Ca 0.28 -1.10 0.00 0.00 -0.53 0.00 0.00 54.79 53.44 3ith n ASP 67 Cb 0.63 -0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.11 3ith n ASP 67 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 3ith n SER 68 N -0.91 -1.17 -3.14 -2.24 2.88 -1.26 -4.74 113.62 103.03 3ith n SER 68 Ca 0.22 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.68 3ith n SER 68 Cb 0.11 -0.45 0.01 0.00 -0.75 0.00 0.00 64.21 63.12 3ith n SER 68 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 3ith n THR 69 N -0.72 -9.03 -4.27 2.46 -1.04 -1.26 -5.06 114.28 95.36 3ith n THR 69 Ca 0.00 0.11 -0.18 0.00 -2.04 0.00 0.00 64.05 61.94 3ith n THR 69 Cb 0.29 -6.24 -0.11 0.00 -1.82 0.00 0.00 70.33 62.46 3ith n THR 69 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 3ith s LYS 70 N -3.14 1.10 -0.28 -2.82 2.20 -1.26 -5.13 119.74 110.42 3ith s LYS 70 Ca 0.09 -1.33 -0.03 0.00 -0.36 0.00 0.00 55.97 54.34 3ith s LYS 70 Cb -0.02 -0.96 0.03 0.00 -1.51 0.00 0.00 37.83 35.36 3ith s LYS 70 CO 0.78 0.18 0.00 -1.58 -0.36 0.00 0.00 175.35 174.37 3ith s TRP 71 N -2.36 3.13 -0.13 4.03 0.51 -1.26 -4.37 118.94 118.49 3ith s TRP 71 Ca 0.12 -1.42 0.02 0.00 -2.12 0.00 0.00 56.10 52.70 3ith s TRP 71 Cb -0.04 -2.14 0.02 0.00 -0.81 0.00 0.00 33.47 30.50 3ith s TRP 71 CO 0.04 -0.69 -0.17 1.03 -0.51 0.00 0.00 176.95 176.64 3ith s ARG 72 N 1.37 2.51 0.39 4.98 1.81 -1.26 -4.94 118.95 123.81 3ith s ARG 72 Ca -0.00 -0.66 -0.15 0.00 -1.72 0.00 0.00 55.73 53.19 3ith s ARG 72 Cb -0.17 -2.14 -0.09 0.00 -0.45 0.00 0.00 34.95 32.10 3ith s ARG 72 CO -0.01 -0.10 0.82 -1.59 -0.68 0.00 0.00 175.30 173.74 3ith s LYS 73 N 1.07 3.99 -0.41 3.54 0.00 -1.26 -1.12 119.74 125.54 3ith s LYS 73 Ca -0.03 0.75 0.07 0.00 0.00 0.00 0.00 55.97 56.76 3ith s LYS 73 Cb -0.14 -2.33 0.24 0.00 0.00 0.00 0.00 37.83 35.60 3ith s LYS 73 CO -0.05 0.02 0.60 -0.11 0.00 0.00 0.00 175.35 175.81 3ith n LEU 74 N -0.78 -0.58 -4.57 2.77 0.00 -1.25 -4.84 117.00 107.75 3ith n LEU 74 Ca 0.04 -4.35 -0.46 0.00 0.00 0.00 0.00 56.01 51.24 3ith n LEU 74 Cb 0.54 0.68 -0.03 0.00 0.00 0.00 0.00 43.42 44.61 3ith n LEU 74 CO 0.42 2.04 0.58 0.52 0.00 0.00 0.00 177.39 180.96 3ith n VAL 75 N 1.54 1.58 -3.46 1.96 0.31 -1.26 -4.13 118.33 114.86 3ith n VAL 75 Ca 0.19 -0.39 -0.43 0.00 -0.01 0.00 0.00 64.34 63.69 3ith n VAL 75 Cb 0.55 -0.87 -0.04 0.00 -0.91 0.00 0.00 33.84 32.57 3ith n VAL 75 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3ith s ASP 76 N -0.38 6.31 0.00 4.52 2.15 -1.20 -4.78 116.67 123.29 3ith s ASP 76 Ca 0.64 -2.84 0.15 0.00 0.43 0.00 0.00 52.55 50.94 3ith s ASP 76 Cb -0.77 -2.09 0.83 0.00 -0.30 0.00 0.00 42.92 40.59 3ith s ASP 76 CO 0.57 -0.48 1.55 0.49 -0.17 0.00 0.00 175.17 177.12 3ith n PHE 77 N 3.68 0.04 -0.34 -5.34 3.72 -1.26 -4.26 117.46 113.69 3ith n PHE 77 Ca 0.13 -0.02 0.29 0.00 -0.05 0.00 0.00 57.45 57.80 3ith n PHE 77 Cb 0.43 0.00 0.54 0.00 -0.94 0.00 0.00 39.48 39.52 3ith n PHE 77 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 3ith h ARG 78 N 0.35 0.17 0.00 -1.08 2.43 -1.90 0.85 114.38 115.20 3ith h ARG 78 Ca 0.00 -0.01 -0.27 0.00 -0.81 0.00 0.00 59.98 58.89 3ith h ARG 78 Cb 0.08 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.55 3ith h ARG 78 CO 0.00 0.11 -1.50 1.49 -1.51 0.00 0.00 179.97 178.56 3ith h GLU 79 N 0.17 0.00 -0.24 0.20 4.57 -1.95 -3.26 114.58 114.07 3ith h GLU 79 Ca 0.79 -0.00 -0.18 0.00 -1.18 0.00 0.00 59.36 58.78 3ith h GLU 79 Cb 2.02 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 30.61 3ith h GLU 79 CO -0.64 0.64 -0.58 1.25 -1.18 0.00 0.00 179.01 178.51 3ith h LEU 80 N 0.00 0.86 -1.25 1.64 5.85 -0.92 -3.12 115.31 118.36 3ith h LEU 80 Ca -0.21 -0.47 0.24 0.00 0.84 0.00 0.00 57.88 58.28 3ith h LEU 80 Cb 1.94 -0.25 -0.10 0.00 0.37 0.00 0.00 40.66 42.63 3ith h LEU 80 CO 0.09 1.25 0.63 0.78 -0.34 0.00 0.00 178.44 180.86 3ith h ASN 81 N 0.58 0.55 0.60 1.25 2.35 0.47 -0.98 115.58 120.40 3ith h ASN 81 Ca 0.00 0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 3ith h ASN 81 Cb 1.17 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.53 3ith h ASN 81 CO 0.12 0.15 0.00 0.29 -1.65 0.00 0.00 177.43 176.34 3ith n LYS 82 N -4.68 0.16 0.00 0.81 5.02 -1.18 -3.15 118.16 115.15 3ith n LYS 82 Ca 0.24 0.10 0.05 0.00 -2.02 0.00 0.00 58.31 56.67 3ith n LYS 82 Cb 0.76 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 34.23 3ith n LYS 82 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3ith n ARG 83 N -1.40 3.23 -2.93 1.97 1.74 -0.39 -4.97 116.66 113.91 3ith n ARG 83 Ca 0.08 -0.21 -0.40 0.00 -0.77 0.00 0.00 57.85 56.55 3ith n ARG 83 Cb 0.22 -1.00 -0.05 0.00 -1.02 0.00 0.00 32.46 30.61 3ith n ARG 83 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3ith s THR 84 N -1.72 4.55 0.54 0.55 2.01 -1.09 0.34 115.64 120.82 3ith s THR 84 Ca 0.05 1.75 -0.19 0.00 0.31 0.00 0.00 61.69 63.61 3ith s THR 84 Cb 0.08 -4.17 -0.09 0.00 0.01 0.00 0.00 72.50 68.33 3ith s THR 84 CO 0.35 0.41 0.59 0.00 -0.69 0.00 0.00 174.62 175.27 3ith n GLN 85 N 2.37 0.60 -1.21 4.92 10.64 -0.98 -4.67 117.38 129.06 3ith n GLN 85 Ca -0.03 0.23 -0.33 0.00 -1.83 0.00 0.00 57.00 55.04 3ith n GLN 85 Cb 0.49 -1.72 0.12 0.00 -0.86 0.00 0.00 30.24 28.27 3ith n GLN 85 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 3ith s ASP 86 N -1.11 3.81 0.19 2.61 1.01 -1.26 -4.94 116.67 116.98 3ith s ASP 86 Ca 0.68 2.31 0.08 0.00 0.71 0.00 0.00 52.55 56.33 3ith s ASP 86 Cb -0.48 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 40.83 3ith s ASP 86 CO 0.55 -2.52 -0.15 -0.36 0.21 0.00 0.00 175.17 172.90 3ith s PHE 87 N -2.18 1.71 -0.05 4.23 0.40 -1.26 -5.10 117.98 115.72 3ith s PHE 87 Ca 0.72 -0.55 -0.26 0.00 -0.60 0.00 0.00 56.93 56.25 3ith s PHE 87 Cb -0.27 -0.82 -0.03 0.00 0.51 0.00 0.00 43.02 42.41 3ith s PHE 87 CO 0.49 0.33 0.81 -0.46 0.70 0.00 0.00 175.22 177.10 3ith s TRP 88 N -2.67 3.60 -0.49 0.36 -0.11 -1.26 -5.01 118.94 113.36 3ith s TRP 88 Ca 0.20 1.42 -0.29 0.00 1.22 0.00 0.00 56.10 58.65 3ith s TRP 88 Cb -0.02 -2.94 0.02 0.00 -1.50 0.00 0.00 33.47 29.03 3ith s TRP 88 CO 0.06 0.03 1.30 -1.21 -4.62 0.00 0.00 176.95 172.51 3ith s GLU 89 N 0.98 3.55 0.00 5.86 0.41 -1.26 -4.91 118.70 123.33 3ith s GLU 89 Ca 0.43 0.62 0.29 0.00 -0.41 0.00 0.00 54.97 55.90 3ith s GLU 89 Cb -0.19 -4.01 1.29 0.00 -1.78 0.00 0.00 34.13 29.44 3ith s GLU 89 CO 0.21 -1.61 1.89 0.28 -0.49 0.00 0.00 175.26 175.54 3ith n VAL 90 N 6.91 0.00 -4.13 2.63 0.31 -1.26 -4.79 118.33 118.00 3ith n VAL 90 Ca 0.13 -0.09 -0.30 0.00 -0.01 0.00 0.00 64.34 64.06 3ith n VAL 90 Cb 0.49 -0.02 -0.08 0.00 -0.91 0.00 0.00 33.84 33.32 3ith n VAL 90 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 3ith s GLN 91 N -2.28 2.60 0.22 5.55 -1.52 -1.26 -5.03 119.66 117.93 3ith s GLN 91 Ca 0.34 -0.80 0.24 0.00 -1.95 0.00 0.00 55.36 53.19 3ith s GLN 91 Cb 0.21 -2.57 0.36 0.00 -0.22 0.00 0.00 33.01 30.79 3ith s GLN 91 CO 0.43 0.55 1.41 -0.07 -0.25 0.00 0.00 175.29 177.35 3ith h LEU 92 N 3.49 0.00 0.00 2.90 3.38 -2.02 -3.49 115.31 119.57 3ith h LEU 92 Ca -0.48 -0.08 0.37 0.00 0.09 0.00 0.00 57.88 57.79 3ith h LEU 92 Cb 1.16 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.84 3ith h LEU 92 CO 0.60 0.04 0.94 0.61 0.09 0.00 0.00 178.44 180.72 3ith n GLY 93 N 1.25 0.15 3.79 0.83 0.00 -1.26 -5.14 105.19 104.80 3ith n GLY 93 Ca 0.03 -1.02 -0.36 0.00 0.00 0.00 0.00 46.02 44.67 3ith n GLY 93 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3ith s ILE 94 N -2.01 4.26 0.78 -0.61 -4.36 -1.26 -5.03 121.20 112.97 3ith s ILE 94 Ca 0.31 1.74 -0.14 0.00 -0.26 0.00 0.00 60.65 62.29 3ith s ILE 94 Cb -0.00 -3.95 0.07 0.00 1.25 0.00 0.00 42.46 39.82 3ith s ILE 94 CO -0.02 0.10 1.21 -2.84 0.24 0.00 0.00 174.94 173.63 3ith s PRO 95 N -2.17 1.83 -0.13 0.37 0.02 -1.26 -5.03 135.00 128.64 3ith s PRO 95 Ca 0.51 1.77 0.02 0.00 0.02 0.00 0.00 61.00 63.32 3ith s PRO 95 Cb -0.17 -1.80 0.00 0.00 0.02 0.00 0.00 34.50 32.55 3ith s PRO 95 CO 0.22 -2.07 -0.21 -1.58 -0.33 0.00 0.00 177.00 173.04 3ith s HIS 96 N -2.07 2.67 0.27 6.54 2.46 -1.26 -5.03 115.29 118.87 3ith s HIS 96 Ca 0.74 -1.13 -0.04 0.00 0.47 0.00 0.00 55.06 55.10 3ith s HIS 96 Cb -0.29 -1.80 0.53 0.00 -0.13 0.00 0.00 32.58 30.89 3ith s HIS 96 CO 0.49 -0.49 1.45 -2.30 -2.47 0.00 0.00 174.74 171.42 3ith n PRO 97 N 3.84 -0.08 0.06 2.88 -0.02 -1.26 0.80 135.00 141.21 3ith n PRO 97 Ca -0.19 1.43 0.04 0.00 -2.02 0.00 0.00 63.50 62.75 3ith n PRO 97 Cb 0.52 -2.18 0.19 0.00 -0.02 0.00 0.00 33.50 32.01 3ith n PRO 97 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ith n ALA 98 N -3.50 0.97 1.21 3.55 0.00 -1.26 -0.93 120.51 120.55 3ith n ALA 98 Ca 0.17 0.07 0.13 0.00 0.00 0.00 0.00 53.44 53.81 3ith n ALA 98 Cb 0.55 -1.05 0.32 0.00 0.00 0.00 0.00 19.45 19.27 3ith n ALA 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ith n GLY 99 N -1.41 -0.49 3.86 0.00 0.00 0.24 -3.23 105.19 104.16 3ith n GLY 99 Ca -0.00 -0.44 -0.31 0.00 0.00 0.00 0.00 46.02 45.26 3ith n GLY 99 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ith s LEU 100 N -2.48 3.56 0.31 0.99 1.43 -0.10 -4.78 118.68 117.59 3ith s LEU 100 Ca 0.24 1.42 0.08 0.00 -1.03 0.00 0.00 54.13 54.83 3ith s LEU 100 Cb 0.19 -4.38 -0.03 0.00 0.03 0.00 0.00 46.19 42.00 3ith s LEU 100 CO 0.52 -0.63 0.23 -0.54 0.23 0.00 0.00 176.35 176.16 3ith s LYS 101 N -4.37 2.71 0.04 1.70 1.02 -1.26 -0.22 119.74 119.36 3ith s LYS 101 Ca 0.56 -1.26 -0.30 0.00 0.02 0.00 0.00 55.97 54.98 3ith s LYS 101 Cb -0.10 -2.45 -0.06 0.00 -0.52 0.00 0.00 37.83 34.70 3ith s LYS 101 CO 0.38 0.20 1.37 0.15 -0.92 0.00 0.00 175.35 176.53 3ith s LYS 102 N -3.91 4.31 0.05 1.68 1.02 -1.26 -4.92 119.74 116.71 3ith s LYS 102 Ca 0.38 1.97 0.09 0.00 0.02 0.00 0.00 55.97 58.43 3ith s LYS 102 Cb -0.06 -3.47 -0.03 0.00 -0.52 0.00 0.00 37.83 33.76 3ith s LYS 102 CO 0.25 -0.50 -0.26 0.15 -0.92 0.00 0.00 175.35 174.07 3ith s LYS 103 N 1.92 1.69 0.31 1.68 -0.14 -1.26 -5.04 119.74 118.90 3ith s LYS 103 Ca 0.63 -1.11 0.04 0.00 -1.36 0.00 0.00 55.97 54.17 3ith s LYS 103 Cb -0.32 -1.89 0.53 0.00 -1.68 0.00 0.00 37.83 34.46 3ith s LYS 103 CO 0.28 0.48 1.80 0.87 -0.76 0.00 0.00 175.35 178.02 3ith h LYS 104 N 4.70 0.46 -4.04 1.68 1.79 -1.83 -3.43 116.57 115.90 3ith h LYS 104 Ca -0.46 -0.14 -0.38 0.00 -2.18 0.00 0.00 60.65 57.49 3ith h LYS 104 Cb 1.15 -0.05 -0.33 0.00 -1.58 0.00 0.00 32.23 31.42 3ith h LYS 104 CO 0.43 0.60 -0.76 -1.12 -1.08 0.00 0.00 179.45 177.52 3ith s SER 105 N -6.79 0.76 0.02 0.86 0.01 -0.10 -4.93 113.70 103.54 3ith s SER 105 Ca -0.07 -0.10 0.01 0.00 1.31 0.00 0.00 55.95 57.10 3ith s SER 105 Cb 0.15 -0.32 -0.02 0.00 0.21 0.00 0.00 66.02 66.04 3ith s SER 105 CO 0.77 -0.03 -0.05 0.68 0.41 0.00 0.00 173.24 175.02 3ith s VAL 106 N 0.70 0.36 0.05 3.43 -7.23 -1.26 -0.61 120.40 115.83 3ith s VAL 106 Ca -0.09 -0.72 0.01 0.00 -1.81 0.00 0.00 61.98 59.37 3ith s VAL 106 Cb -0.12 -0.41 -0.03 0.00 0.56 0.00 0.00 36.38 36.39 3ith s VAL 106 CO -0.00 -0.25 -0.06 -0.89 -0.31 0.00 0.00 175.10 173.59 3ith s THR 107 N -0.95 0.45 -0.32 5.32 2.01 -0.85 -4.98 115.64 116.32 3ith s THR 107 Ca -0.07 -1.22 -0.01 0.00 0.31 0.00 0.00 61.69 60.71 3ith s THR 107 Cb -0.07 -0.75 0.10 0.00 0.01 0.00 0.00 72.50 71.80 3ith s THR 107 CO -0.00 -0.52 0.11 -0.69 -0.69 0.00 0.00 174.62 172.83 3ith s VAL 108 N -1.89 0.91 0.25 3.82 1.01 -1.26 -0.91 120.40 122.32 3ith s VAL 108 Ca -0.07 -1.49 -0.30 0.00 0.00 0.00 0.00 61.98 60.12 3ith s VAL 108 Cb -0.07 -1.69 -0.09 0.00 0.00 0.00 0.00 36.38 34.54 3ith s VAL 108 CO -0.01 -0.70 1.03 -0.76 0.00 0.00 0.00 175.10 174.66 3ith s LEU 109 N 1.52 4.58 -0.42 3.92 1.43 -0.73 -4.86 118.68 124.12 3ith s LEU 109 Ca 0.10 2.11 -0.17 0.00 -1.03 0.00 0.00 54.13 55.15 3ith s LEU 109 Cb -0.18 -3.62 0.02 0.00 0.03 0.00 0.00 46.19 42.45 3ith s LEU 109 CO -0.23 -0.03 0.40 -0.62 0.23 0.00 0.00 176.35 176.11 3ith s ASP 110 N -0.89 6.17 -0.30 2.29 2.15 -1.26 -1.93 116.67 122.90 3ith s ASP 110 Ca 0.44 -0.75 -0.28 0.00 0.43 0.00 0.00 52.55 52.38 3ith s ASP 110 Cb -0.29 -2.21 -0.02 0.00 -0.30 0.00 0.00 42.92 40.10 3ith s ASP 110 CO 0.36 -0.55 1.81 -0.69 -0.17 0.00 0.00 175.17 175.94 3ith s VAL 111 N 2.01 3.46 -0.34 1.11 1.01 0.80 -4.20 120.40 124.24 3ith s VAL 111 Ca 0.10 0.47 -0.29 0.00 0.00 0.00 0.00 61.98 62.27 3ith s VAL 111 Cb -0.18 -3.59 -0.01 0.00 0.00 0.00 0.00 36.38 32.60 3ith s VAL 111 CO 0.12 -0.36 1.69 -0.83 0.00 0.00 0.00 175.10 175.73 3ith s GLY 112 N 5.98 0.89 0.00 4.51 0.00 -0.77 -4.17 107.32 113.77 3ith s GLY 112 Ca 0.81 0.17 0.00 0.00 0.00 0.00 0.00 44.72 45.70 3ith s GLY 112 CO 0.34 3.13 0.00 1.22 0.00 0.00 0.00 173.10 177.78 3ith n ASP 113 N 9.81 0.00 0.00 1.64 9.92 -1.26 -4.59 116.55 132.06 3ith n ASP 113 Ca 0.21 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.47 3ith n ASP 113 Cb 0.47 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.95 3ith n ASP 113 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3ith n ALA 114 N 0.00 0.00 -1.54 2.24 0.00 -1.26 -4.51 120.51 115.44 3ith n ALA 114 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.06 3ith n ALA 114 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 3ith n ALA 114 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3ith n TYR 115 N 0.00 1.33 0.00 0.00 4.02 -1.26 0.26 117.16 121.51 3ith n TYR 115 Ca 0.00 0.15 0.00 0.00 -0.01 0.00 0.00 57.90 58.04 3ith n TYR 115 Cb 0.00 -2.60 0.00 0.00 -0.02 0.00 0.00 39.34 36.72 3ith n TYR 115 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 3ith n PHE 116 N 14.62 0.00 0.30 -0.72 3.01 -1.23 -4.89 117.46 128.55 3ith n PHE 116 Ca 0.41 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.91 3ith n PHE 116 Cb 0.45 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.92 3ith n PHE 116 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 3ith n SER 117 N 0.00 1.01 -4.44 4.37 7.64 0.72 -4.78 113.62 118.14 3ith n SER 117 Ca 0.00 -1.01 -0.35 0.00 1.01 0.00 0.00 58.87 58.52 3ith n SER 117 Cb 0.00 0.45 -0.13 0.00 -1.01 0.00 0.00 64.21 63.52 3ith n SER 117 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3ith s VAL 118 N -1.04 3.98 0.61 0.44 1.01 -1.19 0.69 120.40 124.89 3ith s VAL 118 Ca 0.06 -0.30 -0.17 0.00 0.00 0.00 0.00 61.98 61.57 3ith s VAL 118 Cb 0.05 -2.80 -0.02 0.00 0.00 0.00 0.00 36.38 33.61 3ith s VAL 118 CO 0.17 0.42 1.12 -2.16 0.00 0.00 0.00 175.10 174.64 3ith s PRO 119 N 1.06 3.02 0.11 2.72 0.04 -1.26 -1.47 135.00 139.22 3ith s PRO 119 Ca 0.02 1.47 -0.15 0.00 0.04 0.00 0.00 61.00 62.39 3ith s PRO 119 Cb -0.14 -1.97 -0.07 0.00 0.04 0.00 0.00 34.50 32.36 3ith s PRO 119 CO 0.02 -1.09 0.52 -1.17 0.04 0.00 0.00 177.00 175.32 3ith s LEU 120 N -4.45 4.39 -0.35 -3.56 2.96 -0.77 -4.62 118.68 112.29 3ith s LEU 120 Ca 0.69 1.07 -0.42 0.00 -0.22 0.00 0.00 54.13 55.25 3ith s LEU 120 Cb -0.22 -3.10 -0.17 0.00 0.50 0.00 0.00 46.19 43.20 3ith s LEU 120 CO 0.36 0.16 1.68 -0.67 -1.32 0.00 0.00 176.35 176.57 3ith n ASP 121 N 1.09 1.95 -0.29 3.68 2.03 -1.26 -4.78 116.55 118.96 3ith n ASP 121 Ca -0.07 1.12 0.10 0.00 0.52 0.00 0.00 54.79 56.45 3ith n ASP 121 Cb 0.52 -1.05 0.26 0.00 -0.72 0.00 0.00 41.12 40.12 3ith n ASP 121 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 3ith h GLU 122 N 6.38 0.45 0.00 -0.67 4.57 -1.94 -0.29 114.58 123.07 3ith h GLU 122 Ca -0.46 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.70 3ith h GLU 122 Cb 1.34 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.83 3ith h GLU 122 CO 0.96 0.30 0.00 -0.25 -1.18 0.00 0.00 179.01 178.84 3ith n ASP 123 N -4.99 0.20 -0.00 1.04 10.43 -1.26 -3.15 116.55 118.81 3ith n ASP 123 Ca 0.19 0.55 0.06 0.00 2.57 0.00 0.00 54.79 58.16 3ith n ASP 123 Cb 0.54 -0.59 -0.07 0.00 1.84 0.00 0.00 41.12 42.84 3ith n ASP 123 CO 0.00 0.00 0.00 0.33 -1.07 0.00 0.00 177.20 176.46 3ith n PHE 124 N -1.71 0.00 -0.34 1.24 7.35 -0.13 -4.42 117.46 119.44 3ith n PHE 124 Ca 0.03 0.00 -0.01 0.00 -0.76 0.00 0.00 57.45 56.71 3ith n PHE 124 Cb 0.20 -0.00 0.15 0.00 0.35 0.00 0.00 39.48 40.18 3ith n PHE 124 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3ith h ARG 125 N 0.00 1.24 -0.94 -4.13 3.08 -1.49 -2.89 114.38 109.25 3ith h ARG 125 Ca 0.00 -0.07 0.27 0.00 0.07 0.00 0.00 59.98 60.25 3ith h ARG 125 Cb 0.30 -0.28 -0.16 0.00 0.08 0.00 0.00 29.97 29.91 3ith h ARG 125 CO 0.00 0.82 0.18 1.57 -1.07 0.00 0.00 179.97 181.47 3ith h LYS 126 N 1.28 0.09 0.00 0.04 2.10 -1.80 0.45 116.57 118.71 3ith h LYS 126 Ca 0.35 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 59.00 3ith h LYS 126 Cb -0.13 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.18 3ith h LYS 126 CO -0.08 0.06 0.00 0.66 -2.00 0.00 0.00 179.45 178.09 3ith n TYR 127 N -5.35 0.00 -0.82 0.07 4.01 -1.09 -3.17 117.16 110.81 3ith n TYR 127 Ca 0.24 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 58.06 3ith n TYR 127 Cb 0.79 -0.11 0.33 0.00 -0.31 0.00 0.00 39.34 40.04 3ith n TYR 127 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 3ith n THR 128 N -1.11 2.26 -1.27 -0.72 -2.24 0.16 -4.60 114.28 106.75 3ith n THR 128 Ca 0.12 -1.49 -0.33 0.00 -2.27 0.00 0.00 64.05 60.09 3ith n THR 128 Cb 0.10 -0.12 0.10 0.00 -2.10 0.00 0.00 70.33 68.32 3ith n THR 128 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ith s ALA 129 N -2.44 2.04 0.04 6.98 0.00 -1.19 -4.11 121.76 123.07 3ith s ALA 129 Ca 0.47 0.64 -0.00 0.00 0.00 0.00 0.00 51.96 53.07 3ith s ALA 129 Cb 0.35 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 20.07 3ith s ALA 129 CO 0.16 -1.98 0.06 1.97 0.00 0.00 0.00 175.76 175.96 3ith n PHE 130 N -3.19 -0.57 -3.78 0.00 -1.74 -1.13 -2.41 117.46 104.64 3ith n PHE 130 Ca 0.12 -0.27 -0.13 0.00 -0.56 0.00 0.00 57.45 56.61 3ith n PHE 130 Cb 0.51 0.06 -0.13 0.00 1.52 0.00 0.00 39.48 41.45 3ith n PHE 130 CO 0.00 0.00 0.00 0.95 -0.56 0.00 0.00 176.76 177.15 3ith s THR 131 N -2.49 -0.02 -0.24 1.97 -4.23 -1.26 -2.28 115.64 107.10 3ith s THR 131 Ca 0.03 0.06 0.00 0.00 -1.18 0.00 0.00 61.69 60.61 3ith s THR 131 Cb -0.00 -0.27 0.03 0.00 1.34 0.00 0.00 72.50 73.60 3ith s THR 131 CO 0.02 0.03 -0.10 -0.63 -0.54 0.00 0.00 174.62 173.40 3ith s ILE 132 N 0.51 2.51 1.11 2.99 1.01 -0.60 -4.78 121.20 123.94 3ith s ILE 132 Ca -0.03 -1.19 -0.18 0.00 0.00 0.00 0.00 60.65 59.25 3ith s ILE 132 Cb -0.05 -2.29 0.25 0.00 0.01 0.00 0.00 42.46 40.38 3ith s ILE 132 CO -0.03 0.20 1.17 -2.16 0.00 0.00 0.00 174.94 174.12 3ith s PRO 133 N 1.25 -0.48 0.00 2.79 0.04 -1.26 -1.96 135.00 135.38 3ith s PRO 133 Ca -0.01 -0.11 0.00 0.00 0.04 0.00 0.00 61.00 60.92 3ith s PRO 133 Cb -0.17 -1.69 0.00 0.00 0.04 0.00 0.00 34.50 32.68 3ith s PRO 133 CO -0.06 -3.21 0.00 -1.13 0.04 0.00 0.00 177.00 172.63 3ith n SER 134 N -4.40 0.00 0.00 6.66 3.41 -1.26 -4.81 113.62 113.22 3ith n SER 134 Ca 0.13 -0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.49 3ith n SER 134 Cb 0.59 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 3ith n SER 134 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 3ith n ILE 135 N 0.00 0.00 -1.39 -1.33 -0.00 -1.26 -4.47 119.36 110.91 3ith n ILE 135 Ca 0.00 0.90 -0.61 0.00 -0.00 0.00 0.00 62.75 63.04 3ith n ILE 135 Cb 0.00 -1.80 -0.11 0.00 -0.00 0.00 0.00 39.64 37.73 3ith n ILE 135 CO 0.00 0.00 0.00 -3.20 -0.00 0.00 0.00 176.55 173.35 3ith n ASN 136 N -0.47 0.89 -2.26 4.38 4.05 -1.26 -4.70 115.26 115.89 3ith n ASN 136 Ca 0.00 0.84 -0.04 0.00 0.45 0.00 0.00 54.58 55.84 3ith n ASN 136 Cb 0.00 -0.86 -0.05 0.00 1.23 0.00 0.00 39.78 40.10 3ith n ASN 136 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01 3ith n ASN 137 N 5.93 1.89 -3.48 1.20 5.15 -1.26 -4.59 115.26 120.09 3ith n ASN 137 Ca 0.44 -1.81 -0.15 0.00 -0.60 0.00 0.00 54.58 52.46 3ith n ASN 137 Cb -0.05 -0.50 -0.04 0.00 -0.53 0.00 0.00 39.78 38.66 3ith n ASN 137 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 3ith s GLU 138 N 2.17 1.11 -0.26 1.20 2.56 -1.26 -5.12 118.70 119.10 3ith s GLU 138 Ca 0.21 -0.06 -0.29 0.00 0.00 0.00 0.00 54.97 54.84 3ith s GLU 138 Cb 0.10 0.52 -0.02 0.00 2.00 0.00 0.00 34.13 36.73 3ith s GLU 138 CO 0.00 -0.41 1.57 0.95 -0.56 0.00 0.00 175.26 176.80 3ith s THR 139 N -2.28 3.76 0.00 -1.70 -4.23 -1.26 -3.71 115.64 106.22 3ith s THR 139 Ca -0.05 0.85 0.00 0.00 -1.18 0.00 0.00 61.69 61.31 3ith s THR 139 Cb -0.00 -3.81 0.00 0.00 1.34 0.00 0.00 72.50 70.02 3ith s THR 139 CO -0.00 -0.37 0.00 -2.65 -0.54 0.00 0.00 174.62 171.06 3ith n PRO 140 N 7.70 0.00 -1.35 3.99 -0.02 -1.26 -5.14 135.00 138.92 3ith n PRO 140 Ca 0.18 0.00 0.18 0.00 -2.02 0.00 0.00 63.50 61.84 3ith n PRO 140 Cb 0.46 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 33.88 3ith n PRO 140 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ith n GLY 141 N 0.00 -2.01 3.47 -1.23 0.00 -1.24 -4.99 105.19 99.18 3ith n GLY 141 Ca 0.00 -1.02 -0.15 0.00 0.00 0.00 0.00 46.02 44.86 3ith n GLY 141 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3ith s ILE 142 N -2.60 0.01 -0.19 -0.61 2.07 -0.83 -4.98 121.20 114.08 3ith s ILE 142 Ca 0.00 -0.07 -0.02 0.00 -1.41 0.00 0.00 60.65 59.15 3ith s ILE 142 Cb 0.00 -0.85 0.06 0.00 0.13 0.00 0.00 42.46 41.79 3ith s ILE 142 CO 0.00 -0.04 0.02 -0.13 -1.91 0.00 0.00 174.94 172.88 3ith s ARG 143 N -0.37 0.79 0.00 3.50 0.52 -1.26 -1.56 118.95 120.57 3ith s ARG 143 Ca -0.05 -0.44 0.00 0.00 -0.52 0.00 0.00 55.73 54.72 3ith s ARG 143 Cb -0.03 -2.06 0.00 0.00 0.52 0.00 0.00 34.95 33.38 3ith s ARG 143 CO 0.04 -0.60 0.00 0.66 0.02 0.00 0.00 175.30 175.43 3ith n TYR 144 N 5.01 -2.30 0.00 -0.53 4.01 -0.96 -1.23 117.16 121.16 3ith n TYR 144 Ca -0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.65 3ith n TYR 144 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.50 3ith n TYR 144 CO 0.00 0.00 0.00 0.94 -0.46 0.00 0.00 176.86 177.34 3ith n GLN 145 N -0.75 0.00 -2.67 -0.72 7.27 -1.16 -2.82 117.38 116.53 3ith n GLN 145 Ca 0.00 0.00 -0.38 0.00 0.07 0.00 0.00 57.00 56.69 3ith n GLN 145 Cb 0.00 0.00 -0.05 0.00 2.41 0.00 0.00 30.24 32.60 3ith n GLN 145 CO 0.00 0.00 0.00 0.71 0.07 0.00 0.00 177.06 177.84 3ith s TYR 146 N -0.93 3.60 -0.49 3.69 1.51 -1.26 -1.93 117.35 121.55 3ith s TYR 146 Ca 0.00 1.75 0.04 0.00 -1.01 0.00 0.00 57.07 57.85 3ith s TYR 146 Cb 0.00 -3.03 0.05 0.00 -0.11 0.00 0.00 41.96 38.87 3ith s TYR 146 CO 0.00 -0.08 0.71 0.09 -1.11 0.00 0.00 175.55 175.16 3ith n ASN 147 N 0.60 1.52 -3.90 2.29 3.02 -0.70 -4.66 115.26 113.42 3ith n ASN 147 Ca 0.02 -1.32 -0.09 0.00 -0.03 0.00 0.00 54.58 53.17 3ith n ASN 147 Cb 0.49 -0.02 -0.08 0.00 -0.61 0.00 0.00 39.78 39.56 3ith n ASN 147 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3ith s VAL 148 N -0.46 0.15 -0.31 2.41 0.11 -1.25 -1.85 120.40 119.20 3ith s VAL 148 Ca 0.06 -1.27 -0.34 0.00 -2.93 0.00 0.00 61.98 57.49 3ith s VAL 148 Cb 0.04 -1.33 -0.11 0.00 -1.53 0.00 0.00 36.38 33.45 3ith s VAL 148 CO 0.05 -0.70 2.15 0.18 -3.33 0.00 0.00 175.10 173.45 3ith n LEU 149 N 0.04 2.37 -4.78 2.54 4.77 -0.54 -4.63 117.00 116.76 3ith n LEU 149 Ca -0.15 0.45 -0.33 0.00 -0.03 0.00 0.00 56.01 55.95 3ith n LEU 149 Cb 0.62 -1.30 0.04 0.00 -2.33 0.00 0.00 43.42 40.45 3ith n LEU 149 CO 0.23 -0.67 0.73 -2.84 -1.33 0.00 0.00 177.39 173.51 3ith s PRO 150 N 5.98 2.93 0.08 3.23 0.02 -1.26 -3.49 135.00 142.48 3ith s PRO 150 Ca 1.07 1.28 -0.31 0.00 0.02 0.00 0.00 61.00 63.05 3ith s PRO 150 Cb -0.79 -1.97 -0.16 0.00 0.02 0.00 0.00 34.50 31.59 3ith s PRO 150 CO 0.48 -1.13 1.63 1.96 -0.33 0.00 0.00 177.00 179.61 3ith h GLN 151 N -0.01 -0.74 -0.29 5.54 7.50 -1.91 -3.10 115.11 122.11 3ith h GLN 151 Ca -0.46 0.05 0.00 0.00 0.50 0.00 0.00 58.65 58.74 3ith h GLN 151 Cb 1.23 0.17 0.00 0.00 0.05 0.00 0.00 27.48 28.93 3ith h GLN 151 CO 0.55 -0.49 0.00 0.41 -1.50 0.00 0.00 178.83 177.80 3ith n GLY 152 N -1.44 0.98 3.74 3.46 0.00 -1.26 -4.97 105.19 105.69 3ith n GLY 152 Ca -0.12 -0.56 -0.35 0.00 0.00 0.00 0.00 46.02 44.99 3ith n GLY 152 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3ith s TRP 153 N -1.63 2.20 0.25 1.61 -0.00 -1.17 -4.80 118.94 115.40 3ith s TRP 153 Ca 0.35 1.55 0.02 0.00 -0.00 0.00 0.00 56.10 58.02 3ith s TRP 153 Cb 0.19 -3.49 0.31 0.00 -0.00 0.00 0.00 33.47 30.49 3ith s TRP 153 CO 0.28 -2.47 1.64 -0.22 -0.00 0.00 0.00 176.95 176.18 3ith h LYS 154 N 0.23 0.44 -0.08 5.86 3.64 -1.91 -3.10 116.57 121.64 3ith h LYS 154 Ca -0.49 -0.22 0.00 0.00 -1.27 0.00 0.00 60.65 58.68 3ith h LYS 154 Cb 1.30 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.12 3ith h LYS 154 CO 0.52 0.77 0.00 0.41 -2.27 0.00 0.00 179.45 178.88 3ith n GLY 155 N -0.09 0.14 0.20 5.01 0.00 -1.26 -4.47 105.19 104.73 3ith n GLY 155 Ca -0.02 -0.44 0.09 0.00 0.00 0.00 0.00 46.02 45.66 3ith n GLY 155 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3ith h SER 156 N 2.33 0.00 0.44 1.61 0.02 -1.84 -0.55 113.55 115.56 3ith h SER 156 Ca 0.00 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.65 3ith h SER 156 Cb 0.50 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.00 3ith h SER 156 CO 0.00 0.19 -1.73 1.55 -1.14 0.00 0.00 176.83 175.70 3ith h PRO 157 N 0.00 0.06 -0.10 3.45 0.13 -1.82 -3.03 132.00 130.69 3ith h PRO 157 Ca -0.00 -0.10 -0.01 0.00 -0.87 0.00 0.00 66.00 65.01 3ith h PRO 157 Cb 1.04 0.04 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 3ith h PRO 157 CO 0.02 0.67 0.01 0.00 -0.23 0.00 0.00 178.00 178.47 3ith h ALA 158 N 0.81 0.13 -0.36 -0.56 0.00 -1.82 -1.02 119.26 116.43 3ith h ALA 158 Ca -0.30 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 3ith h ALA 158 Cb 2.01 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.75 3ith h ALA 158 CO 0.09 -0.20 -0.02 0.82 0.00 0.00 0.00 179.25 179.93 3ith h ILE 159 N -0.09 1.27 -0.97 0.00 2.04 -1.28 -2.49 117.51 115.97 3ith h ILE 159 Ca 0.03 -1.04 0.02 0.00 1.00 0.00 0.00 64.86 64.87 3ith h ILE 159 Cb 0.33 1.21 -0.05 0.00 -0.74 0.00 0.00 36.82 37.57 3ith h ILE 159 CO 0.00 0.34 0.64 0.15 0.00 0.00 0.00 178.15 179.29 3ith h PHE 160 N 0.47 1.21 0.00 1.37 3.57 -1.48 0.46 116.94 122.54 3ith h PHE 160 Ca 0.10 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.55 3ith h PHE 160 Cb 0.50 -0.41 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 3ith h PHE 160 CO 0.04 0.74 -0.38 0.37 -2.23 0.00 0.00 178.31 176.85 3ith h GLN 161 N 1.29 0.00 -0.02 1.11 4.15 -1.10 -1.47 115.11 119.07 3ith h GLN 161 Ca 0.37 0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.73 3ith h GLN 161 Cb -0.10 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.59 3ith h GLN 161 CO -0.09 0.38 -0.23 1.03 -1.93 0.00 0.00 178.83 177.99 3ith h SER 162 N 0.00 0.24 -0.89 -0.69 0.87 -0.86 -1.89 113.55 110.32 3ith h SER 162 Ca -0.00 -0.72 0.13 0.00 -1.23 0.00 0.00 61.79 59.97 3ith h SER 162 Cb 0.78 -0.07 -0.07 0.00 -0.44 0.00 0.00 62.40 62.60 3ith h SER 162 CO 0.05 0.92 0.57 0.28 -0.53 0.00 0.00 176.83 178.12 3ith h SER 163 N -0.42 0.69 -0.06 6.23 0.02 -0.84 -2.22 113.55 116.95 3ith h SER 163 Ca -0.02 0.04 -0.10 0.00 -0.84 0.00 0.00 61.79 60.87 3ith h SER 163 Cb 0.94 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.38 3ith h SER 163 CO 0.05 0.36 -0.34 -0.03 -1.14 0.00 0.00 176.83 175.73 3ith h MET 164 N 0.73 0.33 0.00 3.45 -1.53 -1.18 -2.01 114.93 114.73 3ith h MET 164 Ca 0.44 -0.28 0.00 0.00 -3.44 0.00 0.00 59.70 56.42 3ith h MET 164 Cb 0.65 0.06 0.00 0.00 -0.55 0.00 0.00 31.60 31.76 3ith h MET 164 CO -0.20 0.93 0.00 1.79 0.14 0.00 0.00 176.91 179.57 3ith h THR 165 N -0.18 0.00 0.27 -0.77 1.35 -0.94 -1.91 112.91 110.72 3ith h THR 165 Ca -0.03 -0.19 -0.01 0.00 -0.55 0.00 0.00 66.41 65.63 3ith h THR 165 Cb 1.00 0.99 0.00 0.00 -1.73 0.00 0.00 68.15 68.42 3ith h THR 165 CO 0.07 0.00 -0.13 0.50 -0.25 0.00 0.00 175.52 175.71 3ith h LYS 166 N 0.00 -0.34 -0.17 4.72 3.64 -1.28 -2.76 116.57 120.38 3ith h LYS 166 Ca 0.00 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.45 3ith h LYS 166 Cb 0.23 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 3ith h LYS 166 CO 0.00 -0.16 0.37 0.82 -2.27 0.00 0.00 179.45 178.21 3ith h ILE 167 N -1.07 0.17 0.02 2.00 2.04 -0.62 -2.32 117.51 117.73 3ith h ILE 167 Ca -0.04 0.00 -0.34 0.00 1.00 0.00 0.00 64.86 65.48 3ith h ILE 167 Cb 0.34 0.67 -0.05 0.00 -0.74 0.00 0.00 36.82 37.03 3ith h ILE 167 CO 0.06 0.00 -2.07 0.18 0.00 0.00 0.00 178.15 176.32 3ith n LEU 168 N -3.25 1.12 -0.32 1.44 4.77 -0.83 -4.50 117.00 115.43 3ith n LEU 168 Ca 0.02 0.18 0.23 0.00 -0.03 0.00 0.00 56.01 56.41 3ith n LEU 168 Cb 0.47 -0.05 0.45 0.00 -2.33 0.00 0.00 43.42 41.96 3ith n LEU 168 CO 0.19 0.56 1.00 -0.33 -1.33 0.00 0.00 177.39 177.49 3ith h GLU 169 N 0.01 0.11 -0.53 3.23 5.08 -1.11 0.52 114.58 121.89 3ith h GLU 169 Ca -0.43 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 57.87 3ith h GLU 169 Cb 2.08 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 31.28 3ith h GLU 169 CO 0.04 0.08 0.12 -1.35 -1.00 0.00 0.00 179.01 176.90 3ith h PRO 170 N 0.12 0.85 -0.31 2.33 0.11 -1.79 -2.25 132.00 131.06 3ith h PRO 170 Ca 0.72 -0.21 -0.13 0.00 0.11 0.00 0.00 66.00 66.49 3ith h PRO 170 Cb 1.72 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.71 3ith h PRO 170 CO -0.74 0.81 -0.34 0.35 -0.21 0.00 0.00 178.00 177.88 3ith h PHE 171 N 0.75 0.80 0.00 0.65 3.04 -0.29 -1.61 116.94 120.27 3ith h PHE 171 Ca 0.17 -0.21 -0.05 0.00 3.98 0.00 0.00 57.97 61.85 3ith h PHE 171 Cb 0.35 -0.18 -0.01 0.00 2.56 0.00 0.00 35.95 38.67 3ith h PHE 171 CO 0.02 0.93 -0.23 0.87 -2.02 0.00 0.00 178.31 177.88 3ith h LYS 172 N 0.58 0.00 0.33 1.11 1.57 -1.10 -2.09 116.57 116.97 3ith h LYS 172 Ca 0.06 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 3ith h LYS 172 Cb 0.85 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.16 3ith h LYS 172 CO 0.07 0.23 -0.16 0.87 -0.57 0.00 0.00 179.45 179.90 3ith h LYS 173 N 0.00 -0.43 -0.09 3.15 1.79 -0.69 -3.12 116.57 117.18 3ith h LYS 173 Ca -0.00 0.03 0.03 0.00 -2.18 0.00 0.00 60.65 58.52 3ith h LYS 173 Cb 0.53 0.10 -0.00 0.00 -1.58 0.00 0.00 32.23 31.27 3ith h LYS 173 CO 0.03 -0.12 0.08 1.96 -1.08 0.00 0.00 179.45 180.32 3ith h GLN 174 N -0.95 0.00 -3.08 3.15 4.20 -1.46 -3.32 115.11 113.65 3ith h GLN 174 Ca -0.05 0.00 -0.62 0.00 0.06 0.00 0.00 58.65 58.04 3ith h GLN 174 Cb 0.52 0.00 -0.41 0.00 0.30 0.00 0.00 27.48 27.89 3ith h GLN 174 CO 0.08 0.00 -0.67 -0.80 -0.67 0.00 0.00 178.83 176.76 3ith s ASN 175 N -6.48 4.03 0.39 1.46 -0.87 -0.79 -4.96 114.94 107.73 3ith s ASN 175 Ca -0.05 -3.19 0.28 0.00 -1.57 0.00 0.00 52.86 48.32 3ith s ASN 175 Cb 0.16 -1.36 0.96 0.00 -0.02 0.00 0.00 41.25 41.00 3ith s ASN 175 CO 0.62 -0.19 1.80 -0.65 -2.57 0.00 0.00 177.10 176.11 3ith h PRO 176 N 6.12 0.00 0.00 -0.60 0.11 -1.65 -3.25 132.00 132.73 3ith h PRO 176 Ca 0.05 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.88 3ith h PRO 176 Cb 0.86 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.92 3ith h PRO 176 CO 0.61 0.00 -1.61 -0.44 -0.21 0.00 0.00 178.00 176.35 3ith h ASP 177 N 0.00 0.00 -3.19 -2.05 3.32 -1.93 -3.45 116.42 109.12 3ith h ASP 177 Ca 0.00 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.52 3ith h ASP 177 Cb 0.61 0.00 0.04 0.00 0.22 0.00 0.00 39.33 40.20 3ith h ASP 177 CO 0.00 0.98 0.75 -0.63 -1.72 0.00 0.00 179.24 178.62 3ith s ILE 178 N -2.63 2.91 -0.22 0.35 1.01 -1.23 -4.74 121.20 116.66 3ith s ILE 178 Ca -0.04 0.71 -0.04 0.00 0.00 0.00 0.00 60.65 61.29 3ith s ILE 178 Cb 0.08 -3.45 -0.01 0.00 0.01 0.00 0.00 42.46 39.09 3ith s ILE 178 CO 0.82 0.09 -0.05 0.68 0.00 0.00 0.00 174.94 176.48 3ith s VAL 179 N 0.48 3.32 -0.19 2.92 -7.23 -1.01 -5.00 120.40 113.68 3ith s VAL 179 Ca 0.62 -0.51 -0.05 0.00 -1.81 0.00 0.00 61.98 60.23 3ith s VAL 179 Cb -0.40 -2.50 -0.02 0.00 0.56 0.00 0.00 36.38 34.01 3ith s VAL 179 CO 0.37 0.43 -0.02 -0.63 -0.31 0.00 0.00 175.10 174.94 3ith s ILE 180 N 1.46 3.85 -0.11 -0.62 1.01 -1.26 -1.23 121.20 124.31 3ith s ILE 180 Ca 0.06 -0.35 0.02 0.00 0.00 0.00 0.00 60.65 60.37 3ith s ILE 180 Cb -0.14 -2.73 -0.01 0.00 0.01 0.00 0.00 42.46 39.58 3ith s ILE 180 CO -0.04 0.44 -0.16 -0.31 0.00 0.00 0.00 174.94 174.87 3ith s TYR 181 N 0.91 2.71 0.13 3.97 2.02 -0.04 -4.97 117.35 122.09 3ith s TYR 181 Ca 0.01 -0.66 0.04 0.00 -0.37 0.00 0.00 57.07 56.08 3ith s TYR 181 Cb -0.14 -1.77 -0.04 0.00 -0.40 0.00 0.00 41.96 39.61 3ith s TYR 181 CO 0.02 -0.20 0.14 -1.14 -1.57 0.00 0.00 175.55 172.80 3ith s GLN 182 N 0.15 2.99 -0.29 -0.62 -0.44 -1.26 -0.76 119.66 119.42 3ith s GLN 182 Ca -0.09 -0.75 0.00 0.00 -2.50 0.00 0.00 55.36 52.02 3ith s GLN 182 Cb -0.15 -2.73 0.19 0.00 -1.64 0.00 0.00 33.01 28.68 3ith s GLN 182 CO 0.05 0.52 0.70 -0.47 0.50 0.00 0.00 175.29 176.60 3ith s TYR 183 N -1.62 -1.49 0.00 1.67 5.04 -0.43 -4.99 117.35 115.53 3ith s TYR 183 Ca 0.31 1.03 0.00 0.00 -2.44 0.00 0.00 57.07 55.97 3ith s TYR 183 Cb -0.11 0.32 0.00 0.00 0.35 0.00 0.00 41.96 42.52 3ith s TYR 183 CO 0.24 -0.86 0.00 -1.33 -1.34 0.00 0.00 175.55 172.26 3ith n MET 184 N 5.37 0.00 0.00 4.97 2.81 -1.26 -1.87 117.12 127.15 3ith n MET 184 Ca 0.04 0.00 0.14 0.00 -1.81 0.00 0.00 57.70 56.07 3ith n MET 184 Cb 0.54 0.00 0.57 0.00 -0.71 0.00 0.00 33.22 33.62 3ith n MET 184 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3ith n ASP 185 N 4.81 0.31 -4.78 7.83 8.00 -1.26 -4.84 116.55 126.62 3ith n ASP 185 Ca 0.00 -0.20 -0.36 0.00 0.71 0.00 0.00 54.79 54.94 3ith n ASP 185 Cb 0.00 -0.15 -0.08 0.00 -0.02 0.00 0.00 41.12 40.88 3ith n ASP 185 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3ith s ASP 186 N -2.71 6.00 -0.17 -2.24 1.01 -0.78 -0.14 116.67 117.64 3ith s ASP 186 Ca 0.22 0.31 -0.00 0.00 0.71 0.00 0.00 52.55 53.79 3ith s ASP 186 Cb 0.19 -1.93 0.04 0.00 1.01 0.00 0.00 42.92 42.24 3ith s ASP 186 CO 0.53 0.34 -0.06 -0.22 0.21 0.00 0.00 175.17 175.96 3ith s LEU 187 N -0.62 1.78 -0.11 1.23 2.96 -0.81 -1.32 118.68 121.79 3ith s LEU 187 Ca 0.12 -0.72 -0.16 0.00 -0.22 0.00 0.00 54.13 53.15 3ith s LEU 187 Cb -0.12 -0.99 -0.05 0.00 0.50 0.00 0.00 46.19 45.54 3ith s LEU 187 CO 0.02 -0.17 0.41 -0.47 -1.32 0.00 0.00 176.35 174.81 3ith s TYR 188 N 1.57 3.53 -0.40 5.38 6.14 0.06 -1.77 117.35 131.86 3ith s TYR 188 Ca 0.00 0.81 0.03 0.00 0.64 0.00 0.00 57.07 58.55 3ith s TYR 188 Cb -0.15 -2.44 0.12 0.00 0.42 0.00 0.00 41.96 39.90 3ith s TYR 188 CO -0.08 0.26 0.15 0.08 0.64 0.00 0.00 175.55 176.61 3ith s VAL 189 N 0.31 1.93 0.53 3.14 1.01 -0.08 -0.86 120.40 126.37 3ith s VAL 189 Ca 0.23 -2.48 -0.04 0.00 0.00 0.00 0.00 61.98 59.69 3ith s VAL 189 Cb -0.15 -2.39 -0.00 0.00 0.00 0.00 0.00 36.38 33.84 3ith s VAL 189 CO 0.09 -0.73 0.81 -0.83 0.00 0.00 0.00 175.10 174.43 3ith s GLY 190 N 0.60 1.58 -0.24 4.51 0.00 -0.36 -2.00 107.32 111.40 3ith s GLY 190 Ca 0.14 -0.79 -0.31 0.00 0.00 0.00 0.00 44.72 43.76 3ith s GLY 190 CO -0.07 -0.57 1.25 -0.45 0.00 0.00 0.00 173.10 173.26 3ith s SER 191 N -4.25 -0.13 -0.30 1.64 0.15 0.22 -2.41 113.70 108.63 3ith s SER 191 Ca 0.51 0.12 0.10 0.00 0.70 0.00 0.00 55.95 57.38 3ith s SER 191 Cb -0.10 0.11 0.59 0.00 -1.71 0.00 0.00 66.02 64.90 3ith s SER 191 CO 0.43 -0.13 1.60 0.47 1.20 0.00 0.00 173.24 176.80 3ith n ASP 192 N 0.46 3.47 -4.79 5.45 8.00 -1.26 -0.92 116.55 126.96 3ith n ASP 192 Ca -0.02 -3.47 -0.37 0.00 0.71 0.00 0.00 54.79 51.64 3ith n ASP 192 Cb 0.58 -0.67 -0.06 0.00 -0.02 0.00 0.00 41.12 40.95 3ith n ASP 192 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3ith s LEU 193 N -3.11 4.42 0.11 0.64 1.43 -1.26 -4.90 118.68 116.00 3ith s LEU 193 Ca 0.48 1.65 -0.36 0.00 -1.03 0.00 0.00 54.13 54.87 3ith s LEU 193 Cb 0.41 -3.67 -0.17 0.00 0.03 0.00 0.00 46.19 42.80 3ith s LEU 193 CO 0.06 0.05 1.21 -1.84 0.23 0.00 0.00 176.35 176.06 3ith n GLU 194 N 0.92 0.95 -0.17 1.70 0.28 -1.26 -4.54 120.64 118.51 3ith n GLU 194 Ca -0.02 0.34 0.15 0.00 -0.16 0.00 0.00 57.16 57.47 3ith n GLU 194 Cb 0.50 -1.89 0.25 0.00 1.43 0.00 0.00 31.44 31.73 3ith n GLU 194 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 3ith n ILE 195 N 1.93 -0.10 0.00 3.84 2.08 -1.26 -0.62 119.36 125.23 3ith n ILE 195 Ca 0.17 0.69 -0.17 0.00 0.56 0.00 0.00 62.75 64.00 3ith n ILE 195 Cb 0.20 -1.13 -0.11 0.00 -0.75 0.00 0.00 39.64 37.84 3ith n ILE 195 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 3ith h GLY 196 N 0.00 0.41 0.79 7.39 0.00 -2.01 -3.07 103.07 106.58 3ith h GLY 196 Ca 0.33 -0.75 -0.07 0.00 0.00 0.00 0.00 47.33 46.84 3ith h GLY 196 CO -0.19 0.66 -0.17 1.46 0.00 0.00 0.00 176.54 178.30 3ith h GLN 197 N -0.19 0.43 0.00 4.80 4.20 -1.19 -3.24 115.11 119.92 3ith h GLN 197 Ca -0.08 -0.22 0.00 0.00 0.06 0.00 0.00 58.65 58.41 3ith h GLN 197 Cb 1.31 0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.10 3ith h GLN 197 CO 0.11 0.79 0.00 1.58 -0.67 0.00 0.00 178.83 180.64 3ith n HIS 198 N -4.50 0.00 -0.16 2.96 -0.00 -1.11 -0.33 115.22 112.08 3ith n HIS 198 Ca -0.06 0.00 0.26 0.00 0.46 0.00 0.00 57.72 58.39 3ith n HIS 198 Cb 0.38 -0.46 0.45 0.00 -0.12 0.00 0.00 29.99 30.24 3ith n HIS 198 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3ith h ARG 199 N 0.00 0.00 0.09 1.57 3.08 -1.56 0.55 114.38 118.11 3ith h ARG 199 Ca 0.00 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.85 3ith h ARG 199 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3ith h ARG 199 CO 0.00 0.00 -0.97 1.15 -1.07 0.00 0.00 179.97 179.08 3ith h THR 200 N 0.00 1.30 0.10 2.04 2.02 -0.72 -2.66 112.91 114.99 3ith h THR 200 Ca 0.44 -2.41 0.02 0.00 0.77 0.00 0.00 66.41 65.23 3ith h THR 200 Cb 2.71 2.93 -0.05 0.00 -1.74 0.00 0.00 68.15 72.00 3ith h THR 200 CO -0.00 0.65 -0.47 0.11 0.37 0.00 0.00 175.52 176.17 3ith h LYS 201 N -0.52 -0.66 -0.78 6.66 1.79 0.12 0.80 116.57 123.97 3ith h LYS 201 Ca -0.21 0.05 0.23 0.00 -2.18 0.00 0.00 60.65 58.54 3ith h LYS 201 Cb 1.55 0.15 -0.03 0.00 -1.58 0.00 0.00 32.23 32.32 3ith h LYS 201 CO 0.05 -0.44 0.84 0.82 -1.08 0.00 0.00 179.45 179.64 3ith h ILE 202 N -0.69 0.19 0.20 1.86 1.08 -0.95 0.70 117.51 119.90 3ith h ILE 202 Ca 0.01 0.00 -0.35 0.00 -0.39 0.00 0.00 64.86 64.14 3ith h ILE 202 Cb 0.72 0.33 0.02 0.00 -3.07 0.00 0.00 36.82 34.81 3ith h ILE 202 CO -0.28 0.00 -1.69 -0.08 -0.69 0.00 0.00 178.15 175.41 3ith h GLU 203 N 0.00 0.42 -0.64 2.37 4.22 -0.74 -2.74 114.58 117.48 3ith h GLU 203 Ca 0.37 -0.72 -0.00 0.00 0.08 0.00 0.00 59.36 59.09 3ith h GLU 203 Cb 2.05 0.27 -0.03 0.00 0.50 0.00 0.00 28.75 31.54 3ith h GLU 203 CO -0.00 1.34 0.39 0.93 -2.18 0.00 0.00 179.01 179.48 3ith h GLU 204 N 0.11 0.85 -0.20 1.92 5.08 0.25 -2.44 114.58 120.17 3ith h GLU 204 Ca -0.32 -0.07 -0.18 0.00 -1.00 0.00 0.00 59.36 57.79 3ith h GLU 204 Cb 2.11 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 31.18 3ith h GLU 204 CO 0.20 0.59 -0.58 1.25 -1.00 0.00 0.00 179.01 179.48 3ith h LEU 205 N 0.87 0.84 -2.11 1.33 5.85 -0.92 -1.91 115.31 119.27 3ith h LEU 205 Ca 0.23 -0.58 -0.01 0.00 0.84 0.00 0.00 57.88 58.35 3ith h LEU 205 Cb -0.04 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 40.74 3ith h LEU 205 CO -0.04 1.28 -0.07 -0.09 -0.34 0.00 0.00 178.44 179.18 3ith h ARG 206 N 0.45 0.00 0.05 1.25 2.43 -1.16 -0.38 114.38 117.03 3ith h ARG 206 Ca -0.02 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.08 3ith h ARG 206 Cb 1.20 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.76 3ith h ARG 206 CO 0.12 0.07 -0.31 0.37 -1.51 0.00 0.00 179.97 178.71 3ith h GLN 207 N 0.00 0.12 -0.49 0.20 4.15 -1.22 -2.05 115.11 115.82 3ith h GLN 207 Ca -0.00 -0.20 0.10 0.00 0.77 0.00 0.00 58.65 59.32 3ith h GLN 207 Cb 0.17 0.07 -0.10 0.00 0.21 0.00 0.00 27.48 27.83 3ith h GLN 207 CO 0.01 1.09 -0.24 1.25 -1.93 0.00 0.00 178.83 179.01 3ith h HIS 208 N -0.75 -0.63 -0.99 3.99 2.76 -1.06 0.32 115.15 118.79 3ith h HIS 208 Ca -0.05 0.06 0.12 0.00 -2.20 0.00 0.00 60.37 58.29 3ith h HIS 208 Cb 1.24 0.35 -0.09 0.00 1.55 0.00 0.00 27.41 30.47 3ith h HIS 208 CO 0.25 -0.32 0.61 -0.07 -1.30 0.00 0.00 177.93 177.10 3ith h LEU 209 N -0.14 0.89 -0.21 0.26 3.38 -1.11 -2.43 115.31 115.96 3ith h LEU 209 Ca 0.22 0.05 -0.21 0.00 0.09 0.00 0.00 57.88 58.03 3ith h LEU 209 Cb 0.49 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 41.12 3ith h LEU 209 CO -0.57 0.46 -0.74 0.25 0.09 0.00 0.00 178.44 177.94 3ith h LEU 210 N 0.96 0.92 -2.19 1.67 5.85 -0.14 0.82 115.31 123.20 3ith h LEU 210 Ca 0.49 -0.58 0.00 0.00 0.84 0.00 0.00 57.88 58.63 3ith h LEU 210 Cb 0.50 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.27 3ith h LEU 210 CO -0.27 1.38 0.00 0.03 -0.34 0.00 0.00 178.44 179.23 3ith h ARG 211 N 0.55 0.00 -0.52 1.25 3.08 -0.02 0.89 114.38 119.60 3ith h ARG 211 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.01 3ith h ARG 211 Cb 1.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.41 3ith h ARG 211 CO 0.15 0.00 0.00 0.91 -1.07 0.00 0.00 179.97 179.96 3ith n TRP 212 N -2.89 1.60 -1.08 3.04 7.02 -0.96 -4.92 117.44 119.26 3ith n TRP 212 Ca -0.01 -0.71 -0.03 0.00 -1.02 0.00 0.00 57.50 55.73 3ith n TRP 212 Cb 0.14 -0.37 -0.01 0.00 -2.42 0.00 0.00 31.31 28.65 3ith n TRP 212 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3ith n GLY 213 N 0.54 0.59 3.23 6.99 0.00 0.31 -4.13 105.19 112.72 3ith n GLY 213 Ca 0.25 -0.67 -0.35 0.00 0.00 0.00 0.00 46.02 45.24 3ith n GLY 213 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ith s LEU 214 N -0.59 3.54 -0.02 0.99 1.43 0.28 -4.21 118.68 120.10 3ith s LEU 214 Ca 0.00 -0.94 -0.21 0.00 -1.03 0.00 0.00 54.13 51.95 3ith s LEU 214 Cb 0.00 -1.73 -0.05 0.00 0.03 0.00 0.00 46.19 44.44 3ith s LEU 214 CO 0.00 -0.18 0.62 0.42 0.23 0.00 0.00 176.35 177.44 3ith s THR 215 N 1.35 4.95 -0.12 5.49 -4.23 -1.26 -2.31 115.64 119.51 3ith s THR 215 Ca -0.01 1.29 0.01 0.00 -1.18 0.00 0.00 61.69 61.80 3ith s THR 215 Cb -0.18 -3.96 0.02 0.00 1.34 0.00 0.00 72.50 69.73 3ith s THR 215 CO -0.02 0.37 -0.14 -0.89 -0.54 0.00 0.00 174.62 173.40 3ith s THR 216 N 0.10 1.47 0.08 3.99 2.01 -1.26 -1.84 115.64 120.18 3ith s THR 216 Ca 0.32 -0.60 -0.37 0.00 0.31 0.00 0.00 61.69 61.35 3ith s THR 216 Cb -0.18 -1.36 -0.17 0.00 0.01 0.00 0.00 72.50 70.80 3ith s THR 216 CO 0.17 0.44 1.22 -2.65 -0.69 0.00 0.00 174.62 173.11 3ith n PRO 217 N 4.41 0.80 -0.01 4.92 -0.02 -1.26 -4.95 135.00 138.89 3ith n PRO 217 Ca -0.18 0.29 0.02 0.00 -2.02 0.00 0.00 63.50 61.61 3ith n PRO 217 Cb 0.51 -1.85 -0.13 0.00 -0.02 0.00 0.00 33.50 32.01 3ith n PRO 217 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3ith n ASP 218 N 2.15 0.32 0.00 2.55 5.75 -1.26 -3.92 116.55 122.15 3ith n ASP 218 Ca 0.18 0.14 0.08 0.00 -0.01 0.00 0.00 54.79 55.18 3ith n ASP 218 Cb 0.17 1.07 0.34 0.00 -1.03 0.00 0.00 41.12 41.67 3ith n ASP 218 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3ith n LYS 219 N -2.61 0.05 -2.48 0.11 5.02 -1.26 -4.97 118.16 112.02 3ith n LYS 219 Ca -0.13 0.21 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 3ith n LYS 219 Cb 0.80 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.31 3ith n LYS 219 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3ith n LYS 220 N -1.45 -1.04 0.00 1.97 5.02 -1.25 -4.84 118.16 116.56 3ith n LYS 220 Ca 0.05 0.99 0.00 0.00 -2.02 0.00 0.00 58.31 57.33 3ith n LYS 220 Cb 0.17 -0.66 0.00 0.00 -0.02 0.00 0.00 35.03 34.52 3ith n LYS 220 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3ith n HIS 221 N 2.24 0.00 -2.67 2.13 8.25 -1.26 -4.05 115.22 119.87 3ith n HIS 221 Ca 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.37 3ith n HIS 221 Cb 0.00 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.14 3ith n HIS 221 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3ith n GLN 222 N 0.00 1.62 -1.54 -0.41 1.13 -1.26 -5.08 117.38 111.84 3ith n GLN 222 Ca 0.00 -3.48 -0.13 0.00 -1.94 0.00 0.00 57.00 51.45 3ith n GLN 222 Cb 0.00 -1.48 -0.09 0.00 0.11 0.00 0.00 30.24 28.78 3ith n GLN 222 CO 0.00 0.00 0.00 0.36 -1.44 0.00 0.00 177.06 175.98 3ith n LYS 223 N -0.28 0.34 -0.43 -1.09 2.85 -1.26 -4.90 118.16 113.40 3ith n LYS 223 Ca 0.13 -1.09 0.00 0.00 -1.05 0.00 0.00 58.31 56.30 3ith n LYS 223 Cb 0.81 -3.56 0.00 0.00 -0.65 0.00 0.00 35.03 31.63 3ith n LYS 223 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 3ith n GLU 224 N 8.25 2.56 -0.34 -1.58 2.13 -1.26 -4.97 120.64 125.44 3ith n GLU 224 Ca 0.44 0.00 0.27 0.00 0.66 0.00 0.00 57.16 58.54 3ith n GLU 224 Cb 0.43 0.00 0.53 0.00 0.27 0.00 0.00 31.44 32.67 3ith n GLU 224 CO 0.00 0.00 0.00 -1.35 -0.41 0.00 0.00 177.13 175.37 3ith h PRO 225 N 0.00 0.20 -5.67 5.31 0.11 -1.92 -3.11 132.00 126.92 3ith h PRO 225 Ca 0.00 -0.01 -0.48 0.00 0.11 0.00 0.00 66.00 65.61 3ith h PRO 225 Cb 0.00 -0.05 -0.06 0.00 0.11 0.00 0.00 31.00 31.01 3ith h PRO 225 CO 0.00 0.13 1.54 -2.14 -0.21 0.00 0.00 178.00 177.32 3ith s PRO 226 N -5.59 3.15 0.02 1.05 0.02 -1.26 -4.31 135.00 128.08 3ith s PRO 226 Ca -0.09 -1.47 -0.28 0.00 0.02 0.00 0.00 61.00 59.18 3ith s PRO 226 Cb 0.31 -5.36 -0.04 0.00 0.02 0.00 0.00 34.50 29.43 3ith s PRO 226 CO 0.79 -3.18 0.88 0.12 -0.33 0.00 0.00 177.00 175.28 3ith s PHE 227 N 7.95 3.69 -0.32 6.54 2.19 -1.18 -4.75 117.98 132.10 3ith s PHE 227 Ca 0.62 1.59 -0.08 0.00 0.33 0.00 0.00 56.93 59.38 3ith s PHE 227 Cb 0.01 -2.99 0.01 0.00 -1.31 0.00 0.00 43.02 38.74 3ith s PHE 227 CO 0.09 0.10 0.12 -1.17 1.83 0.00 0.00 175.22 176.20 3ith s LEU 228 N 0.59 4.15 -0.13 6.12 2.96 -1.26 -1.74 118.68 129.37 3ith s LEU 228 Ca 0.46 -0.80 0.01 0.00 -0.22 0.00 0.00 54.13 53.58 3ith s LEU 228 Cb -0.21 -1.93 0.02 0.00 0.50 0.00 0.00 46.19 44.57 3ith s LEU 228 CO 0.25 -0.25 -0.15 0.86 -1.32 0.00 0.00 176.35 175.74 3ith s TRP 229 N 1.52 2.11 -1.31 5.38 -0.00 -1.08 -4.77 118.94 120.78 3ith s TRP 229 Ca 0.02 -1.10 -0.04 0.00 -0.00 0.00 0.00 56.10 54.98 3ith s TRP 229 Cb -0.18 -1.53 0.02 0.00 -0.00 0.00 0.00 33.47 31.78 3ith s TRP 229 CO 0.04 -0.58 0.29 -1.33 -0.00 0.00 0.00 176.95 175.37 3ith n MET 230 N 4.48 -3.14 -1.37 5.86 2.81 -1.26 -0.90 117.12 123.59 3ith n MET 230 Ca -0.18 0.66 -0.12 0.00 -1.81 0.00 0.00 57.70 56.26 3ith n MET 230 Cb 0.51 -5.36 -0.05 0.00 -0.71 0.00 0.00 33.22 27.60 3ith n MET 230 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3ith n GLY 231 N -1.10 1.24 3.79 3.03 0.00 -1.26 -5.02 105.19 105.87 3ith n GLY 231 Ca -0.11 -0.48 -0.24 0.00 0.00 0.00 0.00 46.02 45.19 3ith n GLY 231 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ith s TYR 232 N -2.44 3.08 -0.36 1.61 2.02 -0.08 -4.26 117.35 116.92 3ith s TYR 232 Ca 0.00 -0.08 -0.04 0.00 -0.37 0.00 0.00 57.07 56.58 3ith s TYR 232 Cb 0.00 -1.43 0.07 0.00 -0.40 0.00 0.00 41.96 40.20 3ith s TYR 232 CO 0.00 0.53 0.12 -1.21 -1.57 0.00 0.00 175.55 173.42 3ith s GLU 233 N -3.48 2.34 -0.21 -0.62 2.02 0.56 -2.65 118.70 116.67 3ith s GLU 233 Ca 0.32 -1.46 -0.17 0.00 0.02 0.00 0.00 54.97 53.67 3ith s GLU 233 Cb -0.09 -3.45 -0.04 0.00 0.10 0.00 0.00 34.13 30.66 3ith s GLU 233 CO 0.24 -0.83 0.46 -0.51 0.02 0.00 0.00 175.26 174.64 3ith s LEU 234 N 1.27 4.14 0.06 1.80 1.43 -0.71 -0.74 118.68 125.93 3ith s LEU 234 Ca 0.01 0.58 0.09 0.00 -1.03 0.00 0.00 54.13 53.78 3ith s LEU 234 Cb -0.21 -2.61 -0.03 0.00 0.03 0.00 0.00 46.19 43.37 3ith s LEU 234 CO -0.01 -0.14 -0.26 -1.00 0.23 0.00 0.00 176.35 175.17 3ith s HIS 235 N 1.56 2.25 0.60 0.29 3.76 0.16 -3.41 115.29 120.50 3ith s HIS 235 Ca 0.21 -0.40 0.29 0.00 -0.15 0.00 0.00 55.06 55.01 3ith s HIS 235 Cb -0.15 -1.32 1.05 0.00 1.11 0.00 0.00 32.58 33.26 3ith s HIS 235 CO 0.09 0.16 1.39 -1.00 -0.85 0.00 0.00 174.74 174.53 3ith h PRO 236 N 4.61 0.00 0.00 8.40 0.13 -1.94 -1.64 132.00 141.56 3ith h PRO 236 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3ith h PRO 236 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 3ith h PRO 236 CO 0.43 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.80 3ith n ASP 237 N -3.35 0.95 -3.50 1.44 5.75 -1.26 -4.86 116.55 111.72 3ith n ASP 237 Ca 0.24 -1.21 -0.09 0.00 -0.01 0.00 0.00 54.79 53.72 3ith n ASP 237 Cb 1.49 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 41.56 3ith n ASP 237 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3ith s LYS 238 N -0.21 0.91 0.19 0.11 1.02 -0.62 -4.69 119.74 116.45 3ith s LYS 238 Ca 0.00 -0.34 0.11 0.00 0.02 0.00 0.00 55.97 55.76 3ith s LYS 238 Cb 0.00 0.41 -0.04 0.00 -0.52 0.00 0.00 37.83 37.68 3ith s LYS 238 CO 0.00 -0.40 -0.23 1.67 -0.92 0.00 0.00 175.35 175.47 3ith s TRP 239 N -3.23 2.23 -0.01 3.18 1.48 -0.58 0.40 118.94 122.40 3ith s TRP 239 Ca 0.05 -0.37 -0.04 0.00 -1.06 0.00 0.00 56.10 54.67 3ith s TRP 239 Cb -0.01 -1.11 0.00 0.00 -1.16 0.00 0.00 33.47 31.19 3ith s TRP 239 CO -0.09 0.47 0.09 0.99 -4.06 0.00 0.00 176.95 174.35 3ith s THR 240 N -1.69 0.05 -0.24 0.66 2.01 0.09 -2.22 115.64 114.30 3ith s THR 240 Ca 0.20 -0.45 -0.12 0.00 0.31 0.00 0.00 61.69 61.63 3ith s THR 240 Cb -0.08 -0.29 -0.05 0.00 0.01 0.00 0.00 72.50 72.10 3ith s THR 240 CO 0.09 -0.25 0.21 -0.69 -0.69 0.00 0.00 174.62 173.29 3ith s VAL 241 N -0.81 5.32 -0.57 3.82 1.01 0.22 -0.32 120.40 129.07 3ith s VAL 241 Ca -0.09 0.28 -0.28 0.00 0.00 0.00 0.00 61.98 61.89 3ith s VAL 241 Cb -0.05 -3.55 -0.10 0.00 0.00 0.00 0.00 36.38 32.68 3ith s VAL 241 CO 0.00 0.31 2.45 0.00 0.00 0.00 0.00 175.10 177.87 3ith n GLN 242 N 4.43 0.89 -1.54 2.72 10.64 -1.26 -3.94 117.38 129.31 3ith n GLN 242 Ca -0.14 0.06 -0.60 0.00 -1.83 0.00 0.00 57.00 54.49 3ith n GLN 242 Cb 0.52 -2.94 -0.08 0.00 -0.86 0.00 0.00 30.24 26.88 3ith n GLN 242 CO 0.00 0.00 0.00 -2.30 -1.83 0.00 0.00 177.06 172.93 3ith n PRO 243 N 8.81 0.10 -2.89 2.61 -0.02 -1.26 -4.84 135.00 137.52 3ith n PRO 243 Ca 0.43 0.04 -0.41 0.00 -2.02 0.00 0.00 63.50 61.54 3ith n PRO 243 Cb 0.40 -1.55 -0.04 0.00 -0.02 0.00 0.00 33.50 32.30 3ith n PRO 243 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3ith s ILE 244 N 0.47 4.95 -0.22 4.25 1.09 -1.26 -5.04 121.20 125.44 3ith s ILE 244 Ca 0.92 1.74 -0.08 0.00 -1.10 0.00 0.00 60.65 62.14 3ith s ILE 244 Cb -1.27 -4.17 -0.04 0.00 -1.06 0.00 0.00 42.46 35.91 3ith s ILE 244 CO 0.60 0.22 0.08 -0.69 -0.10 0.00 0.00 174.94 175.04 3ith s VAL 245 N 0.85 4.68 -0.68 2.92 1.01 -1.26 -4.60 120.40 123.32 3ith s VAL 245 Ca 0.44 -0.06 -0.15 0.00 0.00 0.00 0.00 61.98 62.22 3ith s VAL 245 Cb -0.19 -3.16 0.17 0.00 0.00 0.00 0.00 36.38 33.20 3ith s VAL 245 CO 0.23 0.39 0.63 -0.76 0.00 0.00 0.00 175.10 175.58 3ith s LEU 246 N 1.03 6.45 0.38 3.92 1.43 -1.26 -5.05 118.68 125.57 3ith s LEU 246 Ca 0.05 -2.25 -0.28 0.00 -1.03 0.00 0.00 54.13 50.61 3ith s LEU 246 Cb -0.14 -2.20 -0.11 0.00 0.03 0.00 0.00 46.19 43.77 3ith s LEU 246 CO 0.03 -0.71 1.47 -2.16 0.23 0.00 0.00 176.35 175.21 3ith s PRO 247 N 0.86 4.10 -0.34 1.29 0.04 -1.26 -4.97 135.00 134.72 3ith s PRO 247 Ca 0.11 2.54 -0.15 0.00 0.04 0.00 0.00 61.00 63.53 3ith s PRO 247 Cb -0.20 -2.96 -0.01 0.00 0.04 0.00 0.00 34.50 31.37 3ith s PRO 247 CO -0.03 -0.52 0.35 -2.00 0.04 0.00 0.00 177.00 174.83 3ith s GLU 248 N -2.10 3.54 0.02 4.56 2.12 -1.26 -5.05 118.70 120.53 3ith s GLU 248 Ca 0.53 -0.46 -0.01 0.00 0.36 0.00 0.00 54.97 55.39 3ith s GLU 248 Cb -0.46 -3.81 -0.02 0.00 0.26 0.00 0.00 34.13 30.11 3ith s GLU 248 CO 0.62 -0.52 -0.01 0.15 -0.54 0.00 0.00 175.26 174.96 3ith s LYS 249 N 1.98 0.33 0.00 4.30 1.02 -1.26 -5.04 119.74 121.07 3ith s LYS 249 Ca 0.11 -0.57 0.20 0.00 0.02 0.00 0.00 55.97 55.72 3ith s LYS 249 Cb -0.17 0.12 0.07 0.00 -0.52 0.00 0.00 37.83 37.34 3ith s LYS 249 CO 0.12 -0.06 1.05 -3.47 -0.92 0.00 0.00 175.35 172.06 3ith n ASP 250 N 1.59 2.22 -1.76 2.83 -0.08 -1.26 -4.35 116.55 115.75 3ith n ASP 250 Ca -0.24 -1.61 -0.00 0.00 -1.51 0.00 0.00 54.79 51.43 3ith n ASP 250 Cb 0.55 0.26 -0.01 0.00 2.34 0.00 0.00 41.12 44.26 3ith n ASP 250 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 3ith n SER 251 N 0.49 2.94 -3.52 1.67 7.64 -1.26 -4.73 113.62 116.85 3ith n SER 251 Ca 0.10 -1.79 -0.38 0.00 1.01 0.00 0.00 58.87 57.81 3ith n SER 251 Cb 0.45 -0.63 -0.04 0.00 -1.01 0.00 0.00 64.21 62.98 3ith n SER 251 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 3ith n TRP 252 N 1.79 2.03 -1.25 1.43 5.03 -1.26 -4.87 117.44 120.35 3ith n TRP 252 Ca 0.02 -2.09 -0.36 0.00 3.03 0.00 0.00 57.50 58.10 3ith n TRP 252 Cb 0.29 -1.87 0.07 0.00 -1.03 0.00 0.00 31.31 28.77 3ith n TRP 252 CO 0.00 0.00 0.00 0.25 -0.03 0.00 0.00 177.69 177.91 3ith n THR 253 N 5.31 1.76 -0.17 -0.99 -2.24 -1.26 -2.45 114.28 114.25 3ith n THR 253 Ca 0.50 -0.39 0.25 0.00 -2.27 0.00 0.00 64.05 62.14 3ith n THR 253 Cb 0.33 -0.75 0.67 0.00 -2.10 0.00 0.00 70.33 68.48 3ith n THR 253 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 3ith h VAL 254 N -0.39 0.61 0.18 2.28 2.07 -1.77 -0.82 116.25 118.40 3ith h VAL 254 Ca -0.45 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.02 3ith h VAL 254 Cb 1.35 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 3ith h VAL 254 CO 0.43 0.02 -0.09 -1.13 0.02 0.00 0.00 177.57 176.82 3ith h ASN 255 N 0.09 -0.20 -1.27 0.57 -0.73 -1.87 -1.32 115.58 110.85 3ith h ASN 255 Ca 0.41 0.01 0.45 0.00 1.87 0.00 0.00 56.30 59.04 3ith h ASN 255 Cb 1.48 0.05 -0.15 0.00 0.27 0.00 0.00 38.32 39.98 3ith h ASN 255 CO -0.05 -0.08 0.79 0.44 -0.37 0.00 0.00 177.43 178.16 3ith h ASP 256 N -0.37 0.25 -0.02 1.15 3.32 -1.51 1.70 116.42 120.95 3ith h ASP 256 Ca -0.02 0.18 -0.14 0.00 0.02 0.00 0.00 57.03 57.07 3ith h ASP 256 Cb 0.18 0.18 0.01 0.00 0.22 0.00 0.00 39.33 39.92 3ith h ASP 256 CO 0.04 -0.29 -0.53 0.40 -1.72 0.00 0.00 179.24 177.14 3ith h ILE 257 N 0.03 1.43 -0.53 0.35 2.04 -1.33 -2.91 117.51 116.60 3ith h ILE 257 Ca 0.86 -2.01 0.15 0.00 1.00 0.00 0.00 64.86 64.86 3ith h ILE 257 Cb 2.62 2.55 -0.02 0.00 -0.74 0.00 0.00 36.82 41.23 3ith h ILE 257 CO -0.54 0.58 0.39 -0.61 0.00 0.00 0.00 178.15 177.98 3ith h GLN 258 N -0.12 0.00 0.00 2.37 4.15 0.36 0.26 115.11 122.13 3ith h GLN 258 Ca -0.06 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.34 3ith h GLN 258 Cb 1.24 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.93 3ith h GLN 258 CO 0.11 0.00 -0.19 0.87 -1.93 0.00 0.00 178.83 177.68 3ith h LYS 259 N 0.00 0.00 -0.05 1.69 1.57 -0.75 -3.28 116.57 115.75 3ith h LYS 259 Ca 0.25 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.80 3ith h LYS 259 Cb 1.04 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.36 3ith h LYS 259 CO -0.00 0.08 -0.91 1.25 -0.57 0.00 0.00 179.45 179.30 3ith h LEU 260 N 0.00 0.78 -1.11 2.94 5.85 -0.30 -2.86 115.31 120.62 3ith h LEU 260 Ca -0.00 -0.58 -0.03 0.00 0.84 0.00 0.00 57.88 58.11 3ith h LEU 260 Cb 1.07 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.83 3ith h LEU 260 CO 0.01 1.38 0.30 -0.37 -0.34 0.00 0.00 178.44 179.42 3ith h VAL 261 N 0.38 1.21 -0.31 1.05 -1.51 -1.49 -1.48 116.25 114.11 3ith h VAL 261 Ca -0.09 -0.62 -0.01 0.00 -1.23 0.00 0.00 66.70 64.76 3ith h VAL 261 Cb 1.55 0.39 -0.01 0.00 -2.13 0.00 0.00 31.29 31.09 3ith h VAL 261 CO 0.17 0.26 0.16 1.23 -1.23 0.00 0.00 177.57 178.16 3ith h GLY 262 N 1.01 0.46 1.19 5.19 0.00 -1.60 -2.44 103.07 106.88 3ith h GLY 262 Ca 0.23 -0.22 -0.16 0.00 0.00 0.00 0.00 47.33 47.18 3ith h GLY 262 CO -0.03 0.21 -0.42 1.70 0.00 0.00 0.00 176.54 178.00 3ith h LYS 263 N 0.37 0.88 -0.18 4.80 3.64 -1.27 -2.46 116.57 122.35 3ith h LYS 263 Ca 0.11 -0.47 -0.05 0.00 -1.27 0.00 0.00 60.65 58.96 3ith h LYS 263 Cb 0.08 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 31.92 3ith h LYS 263 CO -0.02 1.12 -0.10 -0.07 -2.27 0.00 0.00 179.45 178.12 3ith h LEU 264 N 0.71 0.40 -0.13 5.20 3.38 -1.25 -2.41 115.31 121.22 3ith h LEU 264 Ca 0.05 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.60 3ith h LEU 264 Cb 1.00 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.64 3ith h LEU 264 CO 0.10 0.73 0.00 -0.55 0.09 0.00 0.00 178.44 178.81 3ith h ASN 265 N 0.07 0.00 -0.21 -0.43 7.08 -1.50 -0.81 115.58 119.79 3ith h ASN 265 Ca 0.04 0.00 -0.11 0.00 -3.08 0.00 0.00 56.30 53.15 3ith h ASN 265 Cb 0.58 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.81 3ith h ASN 265 CO 0.03 0.00 -0.23 -0.25 -2.08 0.00 0.00 177.43 174.90 3ith h TRP 266 N 0.00 0.75 0.00 4.14 7.01 -1.33 -3.29 115.95 123.23 3ith h TRP 266 Ca 0.00 -0.16 -0.16 0.00 2.11 0.00 0.00 58.89 60.67 3ith h TRP 266 Cb 0.69 -0.18 -0.02 0.00 -2.10 0.00 0.00 29.16 27.55 3ith h TRP 266 CO 0.00 0.83 -0.78 0.00 -2.79 0.00 0.00 178.44 175.71 3ith h ALA 267 N 1.17 0.71 0.00 2.65 0.00 -0.66 -3.25 119.26 119.88 3ith h ALA 267 Ca 0.08 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.29 3ith h ALA 267 Cb 0.70 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3ith h ALA 267 CO 0.05 0.97 0.00 0.66 0.00 0.00 0.00 179.25 180.94 3ith h SER 268 N 0.00 0.00 1.91 0.00 4.64 -1.41 0.40 113.55 119.10 3ith h SER 268 Ca -0.01 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 3ith h SER 268 Cb 1.38 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.47 3ith h SER 268 CO 0.10 0.00 -0.09 1.56 -0.87 0.00 0.00 176.83 177.53 3ith h GLN 269 N 0.00 0.00 0.00 4.77 1.08 -1.74 -3.34 115.11 115.88 3ith h GLN 269 Ca 0.00 0.00 -0.37 0.00 -1.45 0.00 0.00 58.65 56.83 3ith h GLN 269 Cb 0.07 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.43 3ith h GLN 269 CO 0.00 0.05 -2.35 -0.89 -0.95 0.00 0.00 178.83 174.69 3ith n ILE 270 N -3.09 1.35 -3.72 2.54 -0.00 -0.01 -4.97 119.36 111.46 3ith n ILE 270 Ca 0.04 -0.47 -0.37 0.00 -0.00 0.00 0.00 62.75 61.95 3ith n ILE 270 Cb 0.55 -1.46 -0.10 0.00 -0.00 0.00 0.00 39.64 38.62 3ith n ILE 270 CO 0.00 0.00 0.00 -0.31 -0.00 0.00 0.00 176.55 176.24 3ith s TYR 271 N -2.46 3.24 -0.24 1.39 2.02 0.12 -5.03 117.35 116.38 3ith s TYR 271 Ca -0.32 0.05 -0.29 0.00 -0.37 0.00 0.00 57.07 56.14 3ith s TYR 271 Cb 0.10 -2.26 0.01 0.00 -0.40 0.00 0.00 41.96 39.40 3ith s TYR 271 CO 0.51 -0.05 1.11 -1.25 -1.57 0.00 0.00 175.55 174.30 3ith s PRO 272 N 1.21 4.19 0.00 -1.71 0.04 -1.26 -4.08 135.00 133.40 3ith s PRO 272 Ca 0.06 1.36 0.00 0.00 0.04 0.00 0.00 61.00 62.46 3ith s PRO 272 Cb -0.14 -3.70 0.00 0.00 0.04 0.00 0.00 34.50 30.70 3ith s PRO 272 CO 0.05 -0.73 0.00 0.41 0.04 0.00 0.00 177.00 176.77 3ith n GLY 273 N 3.56 0.57 3.70 0.56 0.00 -1.26 -4.92 105.19 107.40 3ith n GLY 273 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 3ith n GLY 273 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ith s ILE 274 N -1.13 3.38 -0.12 -0.61 1.09 -1.26 -5.00 121.20 117.55 3ith s ILE 274 Ca 0.00 0.87 0.02 0.00 -1.10 0.00 0.00 60.65 60.44 3ith s ILE 274 Cb 0.00 -3.56 -0.01 0.00 -1.06 0.00 0.00 42.46 37.83 3ith s ILE 274 CO 0.00 0.02 -0.18 -0.54 -0.10 0.00 0.00 174.94 174.14 3ith s LYS 275 N 2.04 3.24 0.00 2.79 -0.14 -1.26 -4.95 119.74 121.46 3ith s LYS 275 Ca 0.67 -0.77 0.00 0.00 -1.36 0.00 0.00 55.97 54.51 3ith s LYS 275 Cb -0.36 -2.49 0.00 0.00 -1.68 0.00 0.00 37.83 33.31 3ith s LYS 275 CO 0.29 0.19 0.06 1.33 -0.76 0.00 0.00 175.35 176.47 3ith n VAL 276 N 3.54 0.00 0.44 3.17 0.24 -1.26 -4.80 118.33 119.65 3ith n VAL 276 Ca -0.19 -0.15 0.00 0.00 -2.04 0.00 0.00 64.34 61.96 3ith n VAL 276 Cb 0.53 1.29 0.00 0.00 -1.47 0.00 0.00 33.84 34.19 3ith n VAL 276 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 3ith n ARG 277 N -0.18 0.44 0.00 7.34 1.85 -1.26 -3.64 116.66 121.22 3ith n ARG 277 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 3ith n ARG 277 Cb 0.07 -1.24 0.00 0.00 -1.05 0.00 0.00 32.46 30.24 3ith n ARG 277 CO 0.00 0.00 0.00 0.94 -0.01 0.00 0.00 177.63 178.56 3ith n GLN 278 N 0.43 0.00 0.00 2.89 -0.06 -1.26 -4.77 117.38 114.60 3ith n GLN 278 Ca 0.00 0.00 0.03 0.00 -2.00 0.00 0.00 57.00 55.03 3ith n GLN 278 Cb 0.14 -0.10 0.17 0.00 -4.06 0.00 0.00 30.24 26.39 3ith n GLN 278 CO 0.00 0.00 0.00 1.47 -0.20 0.00 0.00 177.06 178.33 3ith n LEU 279 N -1.97 0.00 -0.31 1.69 -0.00 -1.24 -2.31 117.00 112.85 3ith n LEU 279 Ca 0.00 0.35 0.18 0.00 -0.00 0.00 0.00 56.01 56.53 3ith n LEU 279 Cb 0.00 -0.35 0.43 0.00 -0.00 0.00 0.00 43.42 43.50 3ith n LEU 279 CO 0.00 -0.26 1.21 0.00 -0.00 0.00 0.00 177.39 178.33 3ith h LYS 281 N 0.55 0.00 -2.01 0.00 1.79 -1.82 -2.59 116.57 112.50 3ith h LYS 281 Ca 0.55 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 59.02 3ith h LYS 281 Cb 1.15 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.80 3ith h LYS 281 CO -0.30 0.00 0.00 1.28 -1.08 0.00 0.00 179.45 179.35 3ith n LEU 282 N -3.59 2.48 0.00 2.94 4.77 0.02 -4.44 117.00 119.19 3ith n LEU 282 Ca -0.01 -1.13 0.00 0.00 -0.03 0.00 0.00 56.01 54.84 3ith n LEU 282 Cb 0.22 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 40.78 3ith n LEU 282 CO 0.25 0.47 0.00 -0.11 -1.33 0.00 0.00 177.39 176.67 3ith n LEU 283 N 1.79 0.00 -2.32 2.23 -0.00 -0.98 -5.02 117.00 112.70 3ith n LEU 283 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 56.01 55.99 3ith n LEU 283 Cb 0.24 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.63 3ith n LEU 283 CO 0.00 0.00 -0.52 0.54 -0.00 0.00 0.00 177.39 177.42 3ith n ARG 284 N 0.00 -4.19 0.00 1.96 5.12 -1.26 -4.89 116.66 113.39 3ith n ARG 284 Ca 0.00 3.17 0.00 0.00 -1.93 0.00 0.00 57.85 59.09 3ith n ARG 284 Cb 0.00 -4.35 0.00 0.00 -1.16 0.00 0.00 32.46 26.95 3ith n ARG 284 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3ith n GLY 285 N 1.51 0.85 2.77 -0.13 0.00 -1.26 -4.87 105.19 104.06 3ith n GLY 285 Ca -0.21 -1.47 -0.19 0.00 0.00 0.00 0.00 46.02 44.15 3ith n GLY 285 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ith s THR 286 N 0.00 -0.24 -0.40 2.61 -4.23 -1.26 -4.99 115.64 107.14 3ith s THR 286 Ca 0.00 0.15 0.11 0.00 -1.18 0.00 0.00 61.69 60.77 3ith s THR 286 Cb 0.00 -0.43 0.34 0.00 1.34 0.00 0.00 72.50 73.75 3ith s THR 286 CO 0.00 -0.01 0.73 0.29 -0.54 0.00 0.00 174.62 175.09 3ith n LYS 287 N 5.31 1.21 -3.00 3.99 5.02 -1.26 -5.06 118.16 124.38 3ith n LYS 287 Ca -0.05 -3.54 -0.01 0.00 -2.02 0.00 0.00 58.31 52.69 3ith n LYS 287 Cb 0.50 -1.73 -0.01 0.00 -0.02 0.00 0.00 35.03 33.77 3ith n LYS 287 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3ith n ALA 288 N 0.34 -1.85 -0.38 7.82 0.00 -1.26 -4.57 120.51 120.61 3ith n ALA 288 Ca 0.25 0.47 0.00 0.00 0.00 0.00 0.00 53.44 54.16 3ith n ALA 288 Cb 0.62 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.77 3ith n ALA 288 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 3ith n LEU 289 N 2.02 4.26 0.00 0.00 -0.00 -1.26 -0.68 117.00 121.34 3ith n LEU 289 Ca -0.08 -1.92 0.00 0.00 -0.00 0.00 0.00 56.01 54.01 3ith n LEU 289 Cb 0.22 -0.90 0.00 0.00 -0.00 0.00 0.00 43.42 42.74 3ith n LEU 289 CO 0.10 0.80 0.01 0.41 -0.00 0.00 0.00 177.39 178.71 3ith n THR 290 N 1.58 0.00 -2.35 1.47 -1.04 -1.26 -3.80 114.28 108.88 3ith n THR 290 Ca 0.00 -0.09 -0.37 0.00 -2.04 0.00 0.00 64.05 61.55 3ith n THR 290 Cb 0.40 1.10 -0.04 0.00 -1.82 0.00 0.00 70.33 69.98 3ith n THR 290 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 3ith s GLU 291 N -0.16 3.11 -0.20 -2.82 2.12 0.14 -4.67 118.70 116.21 3ith s GLU 291 Ca 0.00 -0.53 -0.38 0.00 0.36 0.00 0.00 54.97 54.42 3ith s GLU 291 Cb 0.00 -4.96 -0.17 0.00 0.26 0.00 0.00 34.13 29.25 3ith s GLU 291 CO 0.00 -2.60 1.15 0.28 -0.54 0.00 0.00 175.26 173.55 3ith n VAL 292 N 7.13 0.00 -4.86 3.70 0.31 -1.26 -4.04 118.33 119.31 3ith n VAL 292 Ca 0.29 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 64.29 3ith n VAL 292 Cb 0.50 -0.20 -0.15 0.00 -0.91 0.00 0.00 33.84 33.07 3ith n VAL 292 CO 0.00 0.00 0.00 -0.51 -1.32 0.00 0.00 176.83 175.00 3ith s ILE 293 N 1.22 2.75 0.20 2.52 2.07 -1.02 -4.96 121.20 123.97 3ith s ILE 293 Ca 0.85 -0.77 -0.30 0.00 -1.41 0.00 0.00 60.65 59.02 3ith s ILE 293 Cb -1.20 -2.13 -0.08 0.00 0.13 0.00 0.00 42.46 39.18 3ith s ILE 293 CO 0.60 0.53 1.07 -2.16 -1.91 0.00 0.00 174.94 173.07 3ith s PRO 294 N 0.41 4.64 0.09 3.50 0.04 -1.26 -4.58 135.00 137.84 3ith s PRO 294 Ca -0.12 1.70 -0.31 0.00 0.04 0.00 0.00 61.00 62.30 3ith s PRO 294 Cb -0.16 -3.27 -0.09 0.00 0.04 0.00 0.00 34.50 31.03 3ith s PRO 294 CO 0.06 0.16 1.60 -0.51 0.04 0.00 0.00 177.00 178.35 3ith s LEU 295 N -0.66 4.36 0.91 -3.56 1.43 -1.26 -5.02 118.68 114.88 3ith s LEU 295 Ca 0.47 2.49 -0.11 0.00 -1.03 0.00 0.00 54.13 55.95 3ith s LEU 295 Cb -0.29 -3.57 0.20 0.00 0.03 0.00 0.00 46.19 42.55 3ith s LEU 295 CO 0.36 -0.85 1.24 0.42 0.23 0.00 0.00 176.35 177.75 3ith s THR 296 N 2.15 2.01 -0.21 5.49 -4.23 -1.26 -4.88 115.64 114.70 3ith s THR 296 Ca 0.72 -0.22 0.17 0.00 -1.18 0.00 0.00 61.69 61.19 3ith s THR 296 Cb -0.40 -2.79 0.14 0.00 1.34 0.00 0.00 72.50 70.79 3ith s THR 296 CO 0.32 0.00 1.50 -0.08 -0.54 0.00 0.00 174.62 175.82 3ith h GLU 297 N -1.36 0.00 0.20 3.99 4.81 -1.97 -2.46 114.58 117.79 3ith h GLU 297 Ca -0.41 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 58.50 3ith h GLU 297 Cb 1.23 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.63 3ith h GLU 297 CO 0.34 0.37 -1.49 0.93 -0.73 0.00 0.00 179.01 178.42 3ith h GLU 298 N 0.00 0.43 0.09 1.92 5.08 -2.01 -3.29 114.58 116.81 3ith h GLU 298 Ca -0.00 -0.73 -0.37 0.00 -1.00 0.00 0.00 59.36 57.26 3ith h GLU 298 Cb 1.26 0.27 -0.03 0.00 0.50 0.00 0.00 28.75 30.75 3ith h GLU 298 CO 0.05 1.34 -2.10 0.00 -1.00 0.00 0.00 179.01 177.29 3ith n ALA 299 N -2.70 1.01 0.35 3.43 0.00 -1.25 -3.88 120.51 117.46 3ith n ALA 299 Ca -0.17 -0.71 0.12 0.00 0.00 0.00 0.00 53.44 52.68 3ith n ALA 299 Cb 1.08 -0.54 0.51 0.00 0.00 0.00 0.00 19.45 20.49 3ith n ALA 299 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3ith n GLU 300 N -3.45 0.18 0.05 0.00 2.13 -0.93 -1.14 120.64 117.48 3ith n GLU 300 Ca -0.35 0.47 -0.04 0.00 0.66 0.00 0.00 57.16 57.90 3ith n GLU 300 Cb 1.03 -1.88 -0.02 0.00 0.27 0.00 0.00 31.44 30.84 3ith n GLU 300 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 3ith h LEU 301 N 0.00 -0.19 0.20 4.31 5.85 -1.71 -3.23 115.31 120.54 3ith h LEU 301 Ca 0.00 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 3ith h LEU 301 Cb 0.28 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.37 3ith h LEU 301 CO 0.00 0.28 -0.10 1.05 -0.34 0.00 0.00 178.44 179.33 3ith h GLU 302 N -1.06 -0.26 -1.18 1.25 4.11 -1.60 -0.99 114.58 114.85 3ith h GLU 302 Ca -0.02 0.02 0.34 0.00 0.07 0.00 0.00 59.36 59.76 3ith h GLU 302 Cb 0.18 0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.43 3ith h GLU 302 CO 0.04 -0.17 0.83 1.25 0.07 0.00 0.00 179.01 181.02 3ith h LEU 303 N -0.28 0.10 -0.52 3.06 6.46 -1.33 0.94 115.31 123.75 3ith h LEU 303 Ca -0.03 0.02 -0.15 0.00 -0.12 0.00 0.00 57.88 57.61 3ith h LEU 303 Cb 0.21 0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.14 3ith h LEU 303 CO 0.05 0.01 -0.40 0.00 -0.62 0.00 0.00 178.44 177.47 3ith h ALA 304 N 1.45 0.70 0.00 1.25 0.00 -1.21 -2.84 119.26 118.61 3ith h ALA 304 Ca 0.59 -0.45 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 3ith h ALA 304 Cb 2.15 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.81 3ith h ALA 304 CO -0.08 0.67 -0.42 1.49 0.00 0.00 0.00 179.25 180.90 3ith h GLU 305 N 0.62 0.00 0.18 0.00 4.81 0.12 -3.30 114.58 117.01 3ith h GLU 305 Ca 0.05 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 3ith h GLU 305 Cb 0.96 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.34 3ith h GLU 305 CO 0.09 0.42 -0.10 -0.91 -0.73 0.00 0.00 179.01 177.78 3ith h ASN 306 N 0.00 -0.25 -0.81 1.04 -0.26 -0.39 -1.54 115.58 113.37 3ith h ASN 306 Ca -0.00 0.01 0.23 0.00 -0.56 0.00 0.00 56.30 55.98 3ith h ASN 306 Cb 1.16 0.07 -0.03 0.00 -1.06 0.00 0.00 38.32 38.46 3ith h ASN 306 CO 0.06 -0.17 0.69 0.03 -1.06 0.00 0.00 177.43 176.97 3ith h ARG 307 N -0.27 0.00 -0.23 0.81 3.08 -1.60 -0.33 114.38 115.84 3ith h ARG 307 Ca -0.02 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.86 3ith h ARG 307 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.27 3ith h ARG 307 CO 0.03 0.00 -0.51 1.49 -1.07 0.00 0.00 179.97 179.91 3ith h GLU 308 N 0.00 0.74 -0.04 0.04 4.57 -1.40 -1.52 114.58 116.97 3ith h GLU 308 Ca 0.38 -0.50 -0.13 0.00 -1.18 0.00 0.00 59.36 57.94 3ith h GLU 308 Cb 1.75 0.07 0.01 0.00 -0.16 0.00 0.00 28.75 30.42 3ith h GLU 308 CO -0.00 1.12 -0.48 0.82 -1.18 0.00 0.00 179.01 179.29 3ith h ILE 309 N 0.47 1.43 0.00 2.32 2.04 -0.86 -3.08 117.51 119.83 3ith h ILE 309 Ca 0.00 -1.93 0.00 0.00 1.00 0.00 0.00 64.86 63.93 3ith h ILE 309 Cb 1.12 2.48 0.00 0.00 -0.74 0.00 0.00 36.82 39.67 3ith h ILE 309 CO 0.11 0.56 0.00 -0.07 0.00 0.00 0.00 178.15 178.75 3ith h LEU 310 N -0.12 0.00 -0.94 1.44 3.38 -1.52 -3.26 115.31 114.29 3ith h LEU 310 Ca -0.05 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.06 3ith h LEU 310 Cb 1.17 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.77 3ith h LEU 310 CO 0.10 0.00 -0.41 0.50 0.09 0.00 0.00 178.44 178.72 3ith h LYS 311 N 0.00 -0.03 -4.85 1.13 3.64 -1.17 -3.36 116.57 111.93 3ith h LYS 311 Ca 0.00 0.00 -0.65 0.00 -1.27 0.00 0.00 60.65 58.73 3ith h LYS 311 Cb 0.28 0.01 -0.18 0.00 -0.41 0.00 0.00 32.23 31.92 3ith h LYS 311 CO 0.00 -0.02 -0.52 -1.21 -2.27 0.00 0.00 179.45 175.44 3ith s GLU 312 N -5.90 3.81 0.82 1.90 2.02 -1.23 -4.94 118.70 115.18 3ith s GLU 312 Ca -0.14 -0.42 -0.15 0.00 0.02 0.00 0.00 54.97 54.29 3ith s GLU 312 Cb 0.19 -3.68 -0.02 0.00 0.10 0.00 0.00 34.13 30.72 3ith s GLU 312 CO 0.70 -0.25 0.37 -0.35 0.02 0.00 0.00 175.26 175.75 3ith n PRO 313 N 5.06 0.05 -4.58 0.39 -0.04 -1.26 -5.00 135.00 129.62 3ith n PRO 313 Ca -0.14 0.06 -0.25 0.00 -0.04 0.00 0.00 63.50 63.14 3ith n PRO 313 Cb 0.51 -1.76 -0.14 0.00 -0.04 0.00 0.00 33.50 32.07 3ith n PRO 313 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3ith s VAL 314 N -2.10 1.58 0.28 0.52 1.01 -1.25 -5.01 120.40 115.42 3ith s VAL 314 Ca 0.60 -1.18 -0.17 0.00 0.00 0.00 0.00 61.98 61.23 3ith s VAL 314 Cb -0.29 -1.38 0.01 0.00 0.00 0.00 0.00 36.38 34.72 3ith s VAL 314 CO 0.64 0.16 0.63 -1.38 0.00 0.00 0.00 175.10 175.15 3ith s HIS 315 N -0.82 0.05 0.02 5.22 -3.43 -1.26 0.69 115.29 115.75 3ith s HIS 315 Ca 0.06 -0.49 -0.10 0.00 -0.80 0.00 0.00 55.06 53.74 3ith s HIS 315 Cb -0.09 0.52 0.03 0.00 -1.43 0.00 0.00 32.58 31.61 3ith s HIS 315 CO 0.02 -1.17 0.45 0.41 -2.00 0.00 0.00 174.74 172.45 3ith n GLY 316 N -0.44 0.66 1.70 -1.38 0.00 -0.94 -4.94 105.19 99.85 3ith n GLY 316 Ca -0.03 -0.94 -0.11 0.00 0.00 0.00 0.00 46.02 44.94 3ith n GLY 316 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3ith n VAL 317 N -0.32 0.00 -3.98 1.61 0.31 -0.33 -1.53 118.33 114.10 3ith n VAL 317 Ca 0.01 -0.65 -0.22 0.00 -0.01 0.00 0.00 64.34 63.47 3ith n VAL 317 Cb 0.22 -1.27 -0.05 0.00 -0.91 0.00 0.00 33.84 31.83 3ith n VAL 317 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 3ith s TYR 318 N -1.40 2.83 -0.11 3.52 2.02 -1.26 -4.41 117.35 118.54 3ith s TYR 318 Ca 0.30 -0.32 -0.19 0.00 -0.37 0.00 0.00 57.07 56.49 3ith s TYR 318 Cb -0.02 -1.68 -0.04 0.00 -0.40 0.00 0.00 41.96 39.83 3ith s TYR 318 CO 0.20 0.29 0.53 -0.47 -1.57 0.00 0.00 175.55 174.53 3ith s TYR 319 N -2.34 3.52 -0.27 2.71 5.04 0.69 -4.95 117.35 121.75 3ith s TYR 319 Ca 0.39 0.97 -0.05 0.00 -2.44 0.00 0.00 57.07 55.93 3ith s TYR 319 Cb -0.05 -2.61 0.01 0.00 0.35 0.00 0.00 41.96 39.67 3ith s TYR 319 CO 0.24 0.15 0.02 0.34 -1.34 0.00 0.00 175.55 174.97 3ith s ASP 320 N 0.67 4.80 0.15 4.32 2.15 -1.26 -4.30 116.67 123.19 3ith s ASP 320 Ca 0.28 -0.70 0.16 0.00 0.43 0.00 0.00 52.55 52.72 3ith s ASP 320 Cb -0.16 -1.80 0.74 0.00 -0.30 0.00 0.00 42.92 41.40 3ith s ASP 320 CO 0.12 -0.15 1.50 -0.81 -0.17 0.00 0.00 175.17 175.67 3ith n PRO 321 N 4.80 0.09 0.02 4.34 -0.04 -1.26 -2.77 135.00 140.18 3ith n PRO 321 Ca -0.16 0.43 0.12 0.00 -0.04 0.00 0.00 63.50 63.85 3ith n PRO 321 Cb 0.48 -1.71 0.31 0.00 -0.04 0.00 0.00 33.50 32.53 3ith n PRO 321 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3ith n SER 322 N -1.89 0.46 -4.66 3.54 3.41 -1.26 -4.87 113.62 108.34 3ith n SER 322 Ca 0.01 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.37 3ith n SER 322 Cb 0.13 0.05 -0.07 0.00 -0.26 0.00 0.00 64.21 64.06 3ith n SER 322 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3ith s LYS 323 N -3.04 2.39 1.07 4.33 1.02 -1.11 -5.13 119.74 119.26 3ith s LYS 323 Ca 0.10 -1.18 -0.15 0.00 0.02 0.00 0.00 55.97 54.77 3ith s LYS 323 Cb 0.17 -2.32 0.22 0.00 -0.52 0.00 0.00 37.83 35.38 3ith s LYS 323 CO 0.67 0.43 1.10 -0.51 -0.92 0.00 0.00 175.35 176.12 3ith s ASP 324 N -3.15 2.07 -0.07 2.83 1.01 -1.26 -4.96 116.67 113.14 3ith s ASP 324 Ca 0.28 0.98 0.03 0.00 0.71 0.00 0.00 52.55 54.55 3ith s ASP 324 Cb -0.09 -1.51 -0.02 0.00 1.01 0.00 0.00 42.92 42.31 3ith s ASP 324 CO 0.19 -3.45 -0.13 -0.76 0.21 0.00 0.00 175.17 171.23 3ith s LEU 325 N -6.60 2.77 -0.05 1.23 1.43 -1.26 -4.61 118.68 111.57 3ith s LEU 325 Ca 0.67 -0.21 0.05 0.00 -1.03 0.00 0.00 54.13 53.61 3ith s LEU 325 Cb -0.16 -1.58 -0.00 0.00 0.03 0.00 0.00 46.19 44.48 3ith s LEU 325 CO 0.57 0.31 -0.20 -0.63 0.23 0.00 0.00 176.35 176.63 3ith s ILE 326 N -0.53 1.66 -0.07 -0.59 1.01 -0.05 -0.20 121.20 122.42 3ith s ILE 326 Ca 0.07 -0.83 0.05 0.00 0.00 0.00 0.00 60.65 59.94 3ith s ILE 326 Cb -0.12 -1.42 -0.01 0.00 0.01 0.00 0.00 42.46 40.93 3ith s ILE 326 CO 0.02 0.47 -0.24 0.00 0.00 0.00 0.00 174.94 175.18 3ith s ALA 327 N 0.05 2.12 -0.04 9.38 0.00 0.16 -1.15 121.76 132.28 3ith s ALA 327 Ca -0.06 -0.99 0.06 0.00 0.00 0.00 0.00 51.96 50.97 3ith s ALA 327 Cb -0.13 -0.72 -0.01 0.00 0.00 0.00 0.00 23.12 22.26 3ith s ALA 327 CO 0.03 0.36 -0.21 -2.00 0.00 0.00 0.00 175.76 173.94 3ith s GLU 328 N 0.06 2.04 0.04 0.00 2.12 0.14 -0.95 118.70 122.15 3ith s GLU 328 Ca -0.10 -0.76 0.08 0.00 0.36 0.00 0.00 54.97 54.54 3ith s GLU 328 Cb -0.15 -1.81 -0.03 0.00 0.26 0.00 0.00 34.13 32.40 3ith s GLU 328 CO 0.06 0.36 -0.22 0.42 -0.54 0.00 0.00 175.26 175.34 3ith s ILE 329 N -0.20 1.75 0.04 -3.70 1.01 -1.15 0.68 121.20 119.63 3ith s ILE 329 Ca -0.00 -1.22 0.03 0.00 0.00 0.00 0.00 60.65 59.46 3ith s ILE 329 Cb -0.11 -1.51 -0.02 0.00 0.01 0.00 0.00 42.46 40.82 3ith s ILE 329 CO 0.02 0.25 -0.09 -1.10 0.00 0.00 0.00 174.94 174.01 3ith s GLN 330 N -1.15 0.59 0.34 2.79 1.11 0.68 -4.19 119.66 119.83 3ith s GLN 330 Ca 0.08 -0.74 -0.26 0.00 0.01 0.00 0.00 55.36 54.45 3ith s GLN 330 Cb -0.09 -0.44 -0.10 0.00 -1.01 0.00 0.00 33.01 31.38 3ith s GLN 330 CO 0.02 0.09 0.99 0.21 0.01 0.00 0.00 175.29 176.61 3ith s LYS 331 N -1.45 4.45 0.00 2.91 2.20 -1.26 -1.17 119.74 125.43 3ith s LYS 331 Ca -0.07 1.44 0.00 0.00 -0.36 0.00 0.00 55.97 56.98 3ith s LYS 331 Cb -0.09 -2.76 0.00 0.00 -1.51 0.00 0.00 37.83 33.47 3ith s LYS 331 CO 0.01 0.14 0.00 1.04 -0.36 0.00 0.00 175.35 176.17 3ith n GLN 332 N 0.42 0.00 -1.72 4.03 1.13 0.13 -4.83 117.38 116.54 3ith n GLN 332 Ca 0.03 0.00 -0.35 0.00 -1.94 0.00 0.00 57.00 54.74 3ith n GLN 332 Cb 0.49 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.81 3ith n GLN 332 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3ith n GLY 333 N 4.08 4.74 2.70 1.08 0.00 -1.24 -4.81 105.19 111.74 3ith n GLY 333 Ca 0.00 -1.89 -0.04 0.00 0.00 0.00 0.00 46.02 44.10 3ith n GLY 333 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3ith n GLN 334 N 1.80 -3.58 -0.34 1.61 1.13 -1.26 -3.97 117.38 112.77 3ith n GLN 334 Ca 0.60 2.75 0.00 0.00 -1.94 0.00 0.00 57.00 58.42 3ith n GLN 334 Cb 0.36 -3.69 0.00 0.00 0.11 0.00 0.00 30.24 27.02 3ith n GLN 334 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3ith n GLY 335 N 1.98 2.06 3.68 1.08 0.00 -1.26 -5.00 105.19 107.73 3ith n GLY 335 Ca -0.26 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.39 3ith n GLY 335 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ith s GLN 336 N -0.09 4.16 -0.06 1.61 -1.52 -1.25 -4.38 119.66 118.12 3ith s GLN 336 Ca 0.00 0.02 0.03 0.00 -1.95 0.00 0.00 55.36 53.46 3ith s GLN 336 Cb 0.00 -3.51 0.01 0.00 -0.22 0.00 0.00 33.01 29.28 3ith s GLN 336 CO 0.00 0.05 -0.15 -1.58 -0.25 0.00 0.00 175.29 173.36 3ith s TRP 337 N 1.05 1.62 0.10 0.91 0.52 -0.12 0.22 118.94 123.24 3ith s TRP 337 Ca 0.15 -0.55 0.04 0.00 0.02 0.00 0.00 56.10 55.75 3ith s TRP 337 Cb -0.14 -1.14 -0.04 0.00 -1.15 0.00 0.00 33.47 31.01 3ith s TRP 337 CO 0.06 -0.24 0.07 0.95 0.02 0.00 0.00 176.95 177.81 3ith s THR 338 N 0.38 4.38 -0.08 2.01 -4.23 -0.31 -0.57 115.64 117.22 3ith s THR 338 Ca -0.10 -0.90 -0.13 0.00 -1.18 0.00 0.00 61.69 59.38 3ith s THR 338 Cb -0.14 -3.13 0.03 0.00 1.34 0.00 0.00 72.50 70.59 3ith s THR 338 CO 0.04 0.07 0.31 -0.72 -0.54 0.00 0.00 174.62 173.78 3ith s TYR 339 N -1.46 -0.28 0.02 3.99 -0.85 -0.25 -0.23 117.35 118.30 3ith s TYR 339 Ca 0.29 0.61 0.08 0.00 -0.52 0.00 0.00 57.07 57.52 3ith s TYR 339 Cb -0.12 0.11 -0.02 0.00 0.38 0.00 0.00 41.96 42.31 3ith s TYR 339 CO 0.21 -0.26 -0.23 -0.65 -1.52 0.00 0.00 175.55 173.11 3ith s GLN 340 N -0.46 1.64 -0.17 -3.49 1.11 0.21 -1.14 119.66 117.37 3ith s GLN 340 Ca -0.06 -0.93 0.01 0.00 0.01 0.00 0.00 55.36 54.40 3ith s GLN 340 Cb -0.04 -1.70 0.02 0.00 -1.01 0.00 0.00 33.01 30.28 3ith s GLN 340 CO 0.02 0.45 -0.19 0.42 0.01 0.00 0.00 175.29 175.99 3ith s ILE 341 N -0.70 1.99 0.28 1.08 1.01 0.28 0.29 121.20 125.43 3ith s ILE 341 Ca 0.09 -0.90 -0.03 0.00 0.00 0.00 0.00 60.65 59.80 3ith s ILE 341 Cb -0.09 -1.80 -0.01 0.00 0.01 0.00 0.00 42.46 40.57 3ith s ILE 341 CO 0.01 0.53 0.37 -0.72 0.00 0.00 0.00 174.94 175.12 3ith s TYR 342 N 1.24 1.00 0.00 3.97 1.13 -0.30 0.18 117.35 124.57 3ith s TYR 342 Ca 0.03 -1.22 0.00 0.00 -1.41 0.00 0.00 57.07 54.47 3ith s TYR 342 Cb -0.13 -0.21 0.00 0.00 -1.10 0.00 0.00 41.96 40.52 3ith s TYR 342 CO -0.11 -0.95 0.00 1.04 -2.51 0.00 0.00 175.55 173.02 3ith n GLN 343 N -0.45 1.10 -4.88 -3.49 6.02 -1.26 -0.87 117.38 113.55 3ith n GLN 343 Ca 0.01 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.68 3ith n GLN 343 Cb 0.63 -0.84 -0.14 0.00 1.02 0.00 0.00 30.24 30.91 3ith n GLN 343 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3ith s GLU 344 N -1.67 3.05 0.23 -1.09 0.41 -1.26 -4.91 118.70 113.45 3ith s GLU 344 Ca 0.00 -0.72 -0.29 0.00 -0.41 0.00 0.00 54.97 53.55 3ith s GLU 344 Cb 0.00 -2.50 -0.15 0.00 -1.78 0.00 0.00 34.13 29.69 3ith s GLU 344 CO 0.00 0.34 0.89 -2.30 -0.49 0.00 0.00 175.26 173.70 3ith n PRO 345 N 3.14 0.84 -0.33 0.39 -0.02 -1.26 -0.75 135.00 137.01 3ith n PRO 345 Ca -0.18 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 3ith n PRO 345 Cb 0.53 -1.58 0.00 0.00 -0.02 0.00 0.00 33.50 32.42 3ith n PRO 345 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3ith n PHE 346 N 0.43 0.00 -3.25 6.00 3.72 -1.26 -4.90 117.46 118.20 3ith n PHE 346 Ca 0.14 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.16 3ith n PHE 346 Cb 0.28 -0.38 -0.03 0.00 -0.94 0.00 0.00 39.48 38.40 3ith n PHE 346 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3ith n LYS 347 N -2.00 3.59 -2.16 -1.08 4.76 0.07 -5.06 118.16 116.28 3ith n LYS 347 Ca 0.00 -4.57 -0.40 0.00 -2.87 0.00 0.00 58.31 50.47 3ith n LYS 347 Cb 0.00 -2.43 -0.02 0.00 -1.84 0.00 0.00 35.03 30.74 3ith n LYS 347 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 3ith s ASN 348 N -1.40 6.69 -0.14 4.39 0.01 -1.26 -4.16 114.94 119.07 3ith s ASN 348 Ca 0.33 2.60 0.03 0.00 -0.71 0.00 0.00 52.86 55.10 3ith s ASN 348 Cb 0.04 -2.64 -0.23 0.00 0.41 0.00 0.00 41.25 38.83 3ith s ASN 348 CO 0.02 -0.58 0.27 0.18 -1.51 0.00 0.00 177.10 175.48 3ith n LEU 349 N 0.61 1.98 -3.63 0.60 4.77 0.13 -1.18 117.00 120.28 3ith n LEU 349 Ca 0.01 0.15 -0.13 0.00 -0.03 0.00 0.00 56.01 56.01 3ith n LEU 349 Cb 0.43 -0.58 -0.07 0.00 -2.33 0.00 0.00 43.42 40.87 3ith n LEU 349 CO 0.57 0.72 0.49 -0.75 -1.33 0.00 0.00 177.39 177.09 3ith s LYS 350 N -2.55 0.77 0.16 3.23 2.20 -1.05 -4.52 119.74 117.98 3ith s LYS 350 Ca -0.20 0.88 0.07 0.00 -0.36 0.00 0.00 55.97 56.37 3ith s LYS 350 Cb 0.07 0.38 -0.04 0.00 -1.51 0.00 0.00 37.83 36.73 3ith s LYS 350 CO 0.75 -0.10 -0.16 0.95 -0.36 0.00 0.00 175.35 176.43 3ith s THR 351 N 0.29 1.65 0.26 3.43 -4.23 -1.26 -0.55 115.64 115.22 3ith s THR 351 Ca 0.00 -1.94 -0.21 0.00 -1.18 0.00 0.00 61.69 58.37 3ith s THR 351 Cb -0.05 -1.81 0.03 0.00 1.34 0.00 0.00 72.50 72.01 3ith s THR 351 CO -0.00 -0.42 0.68 -0.83 -0.54 0.00 0.00 174.62 173.51 3ith s GLY 352 N -2.78 -0.16 -0.16 3.99 0.00 -0.29 -4.93 107.32 103.00 3ith s GLY 352 Ca 0.15 -0.19 0.01 0.00 0.00 0.00 0.00 44.72 44.69 3ith s GLY 352 CO 0.05 -0.07 -0.18 0.54 0.00 0.00 0.00 173.10 173.44 3ith s LYS 353 N -3.89 2.72 -0.12 2.90 1.02 -1.26 -1.09 119.74 120.02 3ith s LYS 353 Ca 0.10 -0.73 -0.04 0.00 0.02 0.00 0.00 55.97 55.31 3ith s LYS 353 Cb -0.05 -2.36 -0.04 0.00 -0.52 0.00 0.00 37.83 34.87 3ith s LYS 353 CO 0.03 -0.18 0.05 -0.47 -0.92 0.00 0.00 175.35 173.86 3ith s TYR 354 N 1.25 3.27 0.00 3.18 5.04 0.26 -4.88 117.35 125.48 3ith s TYR 354 Ca 0.02 0.21 0.00 0.00 -2.44 0.00 0.00 57.07 54.87 3ith s TYR 354 Cb -0.13 -1.90 0.00 0.00 0.35 0.00 0.00 41.96 40.27 3ith s TYR 354 CO -0.10 0.42 0.00 0.00 -1.34 0.00 0.00 175.55 174.54 3ith n ALA 355 N 2.53 2.09 -0.24 3.97 0.00 -1.26 -0.95 120.51 126.65 3ith n ALA 355 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 3ith n ALA 355 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 3ith n ALA 355 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3ith n ARG 356 N -1.14 0.00 -0.81 0.00 0.63 -1.26 -4.82 116.66 109.25 3ith n ARG 356 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 3ith n ARG 356 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 3ith n ARG 356 CO 0.00 0.00 0.00 -1.33 -2.51 0.00 0.00 177.63 173.79 3ith n MET 357 N 0.00 -2.25 -3.99 -0.14 2.81 -1.26 -5.00 117.12 107.30 3ith n MET 357 Ca 0.00 1.63 -0.31 0.00 -1.81 0.00 0.00 57.70 57.21 3ith n MET 357 Cb 0.00 -1.78 -0.15 0.00 -0.71 0.00 0.00 33.22 30.58 3ith n MET 357 CO 0.00 0.00 0.00 0.50 1.51 0.00 0.00 175.97 177.98 3ith s ARG 358 N -3.16 1.62 0.00 0.03 3.52 -1.26 -5.02 118.95 114.68 3ith s ARG 358 Ca 0.00 -1.49 0.00 0.00 -0.13 0.00 0.00 55.73 54.11 3ith s ARG 358 Cb 0.00 -2.88 0.00 0.00 -1.56 0.00 0.00 34.95 30.51 3ith s ARG 358 CO 0.00 -0.79 0.00 0.41 -0.81 0.00 0.00 175.30 174.11 3ith n GLY 359 N 4.44 -0.12 0.00 8.12 0.00 -1.26 -4.71 105.19 111.66 3ith n GLY 359 Ca -0.04 -2.26 0.05 0.00 0.00 0.00 0.00 46.02 43.77 3ith n GLY 359 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ith n ALA 360 N -0.80 2.91 -3.49 4.61 0.00 -1.26 -4.85 120.51 117.62 3ith n ALA 360 Ca 0.00 -0.28 -0.23 0.00 0.00 0.00 0.00 53.44 52.93 3ith n ALA 360 Cb 0.00 -0.38 -0.13 0.00 0.00 0.00 0.00 19.45 18.94 3ith n ALA 360 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3ith s HIS 361 N -2.38 -0.07 0.42 0.00 3.76 -1.26 -0.21 115.29 115.56 3ith s HIS 361 Ca 0.00 -0.38 0.01 0.00 -0.15 0.00 0.00 55.06 54.54 3ith s HIS 361 Cb 0.08 -0.63 0.01 0.00 1.11 0.00 0.00 32.58 33.14 3ith s HIS 361 CO 0.45 -0.79 0.09 -2.37 -0.85 0.00 0.00 174.74 171.27 3ith n THR 362 N 5.29 0.00 -4.03 1.30 5.66 -1.03 -4.81 114.28 116.66 3ith n THR 362 Ca -0.05 -1.89 -0.14 0.00 -3.05 0.00 0.00 64.05 58.92 3ith n THR 362 Cb 0.46 0.26 -0.02 0.00 -1.55 0.00 0.00 70.33 69.47 3ith n THR 362 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3ith s ASN 363 N -3.35 0.81 0.08 1.09 2.20 -1.26 -1.80 114.94 112.70 3ith s ASN 363 Ca 0.07 -1.45 -0.17 0.00 -0.94 0.00 0.00 52.86 50.36 3ith s ASN 363 Cb -0.01 0.72 -0.10 0.00 -2.00 0.00 0.00 41.25 39.86 3ith s ASN 363 CO 0.04 -1.41 1.42 0.44 -2.94 0.00 0.00 177.10 174.65 3ith h ASP 364 N 2.06 0.56 -0.69 3.54 3.32 -1.92 -1.76 116.42 121.53 3ith h ASP 364 Ca -0.29 -0.44 -0.06 0.00 0.02 0.00 0.00 57.03 56.26 3ith h ASP 364 Cb 1.24 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 40.61 3ith h ASP 364 CO 0.39 0.88 0.22 0.58 -1.72 0.00 0.00 179.24 179.59 3ith h VAL 365 N 0.24 1.26 0.00 -1.35 2.07 -1.94 0.74 116.25 117.27 3ith h VAL 365 Ca 0.05 -0.88 -0.13 0.00 0.82 0.00 0.00 66.70 66.56 3ith h VAL 365 Cb 0.69 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 3ith h VAL 365 CO 0.04 0.34 -0.61 0.07 0.02 0.00 0.00 177.57 177.44 3ith h LYS 366 N 1.02 0.00 -0.27 1.57 2.10 -1.97 -1.87 116.57 117.15 3ith h LYS 366 Ca 0.22 0.00 -0.18 0.00 -2.00 0.00 0.00 60.65 58.70 3ith h LYS 366 Cb 0.30 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.63 3ith h LYS 366 CO -0.01 0.61 -0.54 0.37 -2.00 0.00 0.00 179.45 177.88 3ith h GLN 367 N 0.00 0.80 0.32 0.07 5.75 -0.97 -1.73 115.11 119.35 3ith h GLN 367 Ca -0.01 -0.50 -0.02 0.00 -0.15 0.00 0.00 58.65 57.98 3ith h GLN 367 Cb 1.16 0.06 0.00 0.00 1.07 0.00 0.00 27.48 29.77 3ith h GLN 367 CO 0.08 1.13 -0.15 1.25 -2.65 0.00 0.00 178.83 178.49 3ith h LEU 368 N 0.62 -0.37 -0.90 -2.39 5.85 -0.73 -2.58 115.31 114.81 3ith h LEU 368 Ca 0.02 -0.06 0.23 0.00 0.84 0.00 0.00 57.88 58.90 3ith h LEU 368 Cb 1.13 0.09 -0.13 0.00 0.37 0.00 0.00 40.66 42.12 3ith h LEU 368 CO 0.12 -0.16 0.37 0.74 -0.34 0.00 0.00 178.44 179.16 3ith h THR 369 N -0.55 0.42 -0.86 1.05 2.02 -1.28 0.28 112.91 114.00 3ith h THR 369 Ca -0.04 -0.12 -0.00 0.00 0.77 0.00 0.00 66.41 67.01 3ith h THR 369 Cb 0.41 0.05 -0.04 0.00 -1.74 0.00 0.00 68.15 66.82 3ith h THR 369 CO 0.07 0.06 0.53 -0.33 0.37 0.00 0.00 175.52 176.22 3ith h GLU 370 N 0.35 1.16 -0.29 6.66 5.08 -1.10 -2.18 114.58 124.26 3ith h GLU 370 Ca 0.57 -0.10 -0.07 0.00 -1.00 0.00 0.00 59.36 58.76 3ith h GLU 370 Cb 1.12 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 3ith h GLU 370 CO -0.56 0.81 -0.08 0.00 -1.00 0.00 0.00 179.01 178.18 3ith h ALA 371 N 1.29 0.41 -0.10 3.43 0.00 -0.18 -1.45 119.26 122.66 3ith h ALA 371 Ca 0.31 -0.28 0.03 0.00 0.00 0.00 0.00 54.91 54.96 3ith h ALA 371 Cb -0.06 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 3ith h ALA 371 CO -0.06 0.23 0.23 0.28 0.00 0.00 0.00 179.25 179.93 3ith h VAL 372 N 0.33 0.19 0.00 0.00 2.07 -0.52 0.77 116.25 119.09 3ith h VAL 372 Ca 0.07 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.52 3ith h VAL 372 Cb 0.56 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 3ith h VAL 372 CO 0.03 0.00 -0.54 1.56 0.02 0.00 0.00 177.57 178.64 3ith h GLN 373 N 0.00 0.00 -0.29 1.57 4.20 -0.90 -2.69 115.11 117.01 3ith h GLN 373 Ca 0.05 0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.82 3ith h GLN 373 Cb 0.50 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.21 3ith h GLN 373 CO -0.00 0.52 -0.21 -0.22 -0.67 0.00 0.00 178.83 178.25 3ith h LYS 374 N -1.00 -0.18 -0.59 1.46 3.64 -0.94 0.11 116.57 119.06 3ith h LYS 374 Ca -0.11 0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.37 3ith h LYS 374 Cb 0.76 0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 32.56 3ith h LYS 374 CO -0.07 -0.12 0.23 0.82 -2.27 0.00 0.00 179.45 178.04 3ith h ILE 375 N -0.19 0.80 -0.25 2.00 2.04 -1.01 -1.75 117.51 119.15 3ith h ILE 375 Ca 0.15 -0.14 0.06 0.00 1.00 0.00 0.00 64.86 65.92 3ith h ILE 375 Cb 0.43 0.34 -0.06 0.00 -0.74 0.00 0.00 36.82 36.79 3ith h ILE 375 CO -0.40 0.08 -0.11 0.74 0.00 0.00 0.00 178.15 178.46 3ith h THR 376 N 0.42 0.65 -0.97 -0.27 2.02 -0.86 -1.68 112.91 112.22 3ith h THR 376 Ca 0.29 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.54 3ith h THR 376 Cb 0.34 0.65 -0.07 0.00 -1.74 0.00 0.00 68.15 67.33 3ith h THR 376 CO -0.28 0.00 0.62 0.74 0.37 0.00 0.00 175.52 176.97 3ith h THR 377 N -0.07 1.06 -0.22 3.16 2.02 -0.01 -1.94 112.91 116.91 3ith h THR 377 Ca 0.13 -0.38 0.02 0.00 0.77 0.00 0.00 66.41 66.95 3ith h THR 377 Cb 0.26 -0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 66.50 3ith h THR 377 CO -0.30 0.20 0.07 -0.08 0.37 0.00 0.00 175.52 175.78 3ith h GLU 378 N 1.11 0.16 -0.89 6.66 4.81 -0.85 -1.45 114.58 124.13 3ith h GLU 378 Ca 0.43 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.65 3ith h GLU 378 Cb 0.20 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.50 3ith h GLU 378 CO -0.18 0.11 0.56 0.77 -0.73 0.00 0.00 179.01 179.53 3ith h SER 379 N 0.17 1.05 -0.27 1.04 0.02 -0.57 -0.82 113.55 114.16 3ith h SER 379 Ca 0.10 -0.05 -0.05 0.00 -0.84 0.00 0.00 61.79 60.95 3ith h SER 379 Cb 0.07 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.34 3ith h SER 379 CO -0.10 0.79 -0.01 0.40 -1.14 0.00 0.00 176.83 176.76 3ith h ILE 380 N 1.22 1.26 0.11 3.27 2.04 -1.21 -0.97 117.51 123.23 3ith h ILE 380 Ca 0.32 -0.94 0.01 0.00 1.00 0.00 0.00 64.86 65.24 3ith h ILE 380 Cb -0.09 1.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 3ith h ILE 380 CO -0.06 0.30 -0.12 0.58 0.00 0.00 0.00 178.15 178.85 3ith h VAL 381 N 0.26 0.73 0.01 1.67 2.07 -0.59 0.68 116.25 121.08 3ith h VAL 381 Ca 0.08 0.00 -0.21 0.00 0.82 0.00 0.00 66.70 67.38 3ith h VAL 381 Cb 0.44 0.73 0.02 0.00 -1.52 0.00 0.00 31.29 30.96 3ith h VAL 381 CO 0.02 0.00 -0.83 0.40 0.02 0.00 0.00 177.57 177.17 3ith h ILE 382 N -0.25 1.36 0.00 4.57 2.04 -1.24 -3.39 117.51 120.59 3ith h ILE 382 Ca 0.01 -2.19 0.00 0.00 1.00 0.00 0.00 64.86 63.68 3ith h ILE 382 Cb 0.25 2.53 0.00 0.00 -0.74 0.00 0.00 36.82 38.86 3ith h ILE 382 CO -0.04 0.66 -0.07 0.79 0.00 0.00 0.00 178.15 179.48 3ith n TRP 383 N -4.04 0.00 -1.81 1.37 8.01 -0.46 -4.77 117.44 115.74 3ith n TRP 383 Ca -0.11 0.00 -0.12 0.00 -1.31 0.00 0.00 57.50 55.96 3ith n TRP 383 Cb 0.78 -0.00 -0.03 0.00 -2.01 0.00 0.00 31.31 30.06 3ith n TRP 383 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3ith n GLY 384 N 1.04 0.56 3.33 6.99 0.00 0.24 -4.96 105.19 112.38 3ith n GLY 384 Ca 0.00 -0.43 -0.10 0.00 0.00 0.00 0.00 46.02 45.50 3ith n GLY 384 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ith s LYS 385 N -3.84 1.16 -0.05 1.61 -2.85 -1.21 -4.90 119.74 109.66 3ith s LYS 385 Ca 0.00 -1.21 -0.10 0.00 -1.00 0.00 0.00 55.97 53.66 3ith s LYS 385 Cb 0.00 0.37 -0.05 0.00 -2.06 0.00 0.00 37.83 36.09 3ith s LYS 385 CO 0.00 -0.42 0.28 0.99 0.10 0.00 0.00 175.35 176.30 3ith s THR 386 N -3.98 5.26 0.42 3.79 2.01 -1.26 -3.26 115.64 118.63 3ith s THR 386 Ca 0.18 0.49 -0.03 0.00 0.31 0.00 0.00 61.69 62.65 3ith s THR 386 Cb 0.04 -3.56 -0.03 0.00 0.01 0.00 0.00 72.50 68.95 3ith s THR 386 CO 0.01 0.57 0.68 -2.16 -0.69 0.00 0.00 174.62 173.03 3ith s PRO 387 N -1.14 3.52 0.17 4.92 0.04 -1.26 -4.68 135.00 136.57 3ith s PRO 387 Ca 0.20 -0.03 -0.20 0.00 0.04 0.00 0.00 61.00 61.02 3ith s PRO 387 Cb -0.14 -2.50 -0.08 0.00 0.04 0.00 0.00 34.50 31.82 3ith s PRO 387 CO 0.10 -0.06 0.68 0.15 0.04 0.00 0.00 177.00 177.91 3ith s LYS 388 N -4.56 4.26 0.03 4.56 1.02 0.73 -4.79 119.74 120.98 3ith s LYS 388 Ca 0.44 0.84 0.02 0.00 0.02 0.00 0.00 55.97 57.30 3ith s LYS 388 Cb -0.10 -3.02 -0.04 0.00 -0.52 0.00 0.00 37.83 34.16 3ith s LYS 388 CO 0.41 0.48 0.01 -0.06 -0.92 0.00 0.00 175.35 175.27 3ith s PHE 389 N -1.38 3.06 -0.15 3.18 0.08 -0.82 -0.66 117.98 121.30 3ith s PHE 389 Ca 0.38 0.05 0.01 0.00 0.12 0.00 0.00 56.93 57.49 3ith s PHE 389 Cb -0.18 -1.63 -0.00 0.00 -0.57 0.00 0.00 43.02 40.63 3ith s PHE 389 CO 0.21 0.47 -0.16 0.15 -0.10 0.00 0.00 175.22 175.79 3ith s LYS 390 N -1.79 3.20 -0.02 0.44 1.02 -0.13 -0.64 119.74 121.83 3ith s LYS 390 Ca 0.22 -0.76 0.01 0.00 0.02 0.00 0.00 55.97 55.45 3ith s LYS 390 Cb -0.12 -2.59 0.01 0.00 -0.52 0.00 0.00 37.83 34.61 3ith s LYS 390 CO 0.13 0.04 -0.02 -0.51 -0.92 0.00 0.00 175.35 174.07 3ith s LEU 391 N 0.76 1.58 -0.40 3.17 1.43 -0.45 -2.95 118.68 121.81 3ith s LEU 391 Ca -0.07 -0.05 -0.03 0.00 -1.03 0.00 0.00 54.13 52.96 3ith s LEU 391 Cb -0.15 -0.21 -0.06 0.00 0.03 0.00 0.00 46.19 45.80 3ith s LEU 391 CO 0.01 -0.03 1.70 -0.81 0.23 0.00 0.00 176.35 177.45 3ith n PRO 392 N 3.59 1.16 -3.68 1.29 -0.04 -1.26 -1.89 135.00 134.16 3ith n PRO 392 Ca -0.20 -0.88 -0.14 0.00 -0.04 0.00 0.00 63.50 62.24 3ith n PRO 392 Cb 0.54 -2.09 -0.08 0.00 -0.04 0.00 0.00 33.50 31.83 3ith n PRO 392 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 3ith s ILE 393 N 3.40 0.02 -0.06 0.52 2.07 -1.26 -0.66 121.20 125.22 3ith s ILE 393 Ca 0.25 -0.15 -0.16 0.00 -1.41 0.00 0.00 60.65 59.19 3ith s ILE 393 Cb 0.08 -0.74 -0.05 0.00 0.13 0.00 0.00 42.46 41.88 3ith s ILE 393 CO -0.01 -0.08 0.42 -1.10 -1.91 0.00 0.00 174.94 172.25 3ith s GLN 394 N -0.57 4.12 0.49 3.50 -0.21 -1.26 -4.58 119.66 121.15 3ith s GLN 394 Ca -0.07 0.38 0.41 0.00 0.02 0.00 0.00 55.36 56.10 3ith s GLN 394 Cb -0.03 -3.33 1.60 0.00 1.00 0.00 0.00 33.01 32.25 3ith s GLN 394 CO 0.04 0.44 1.55 1.63 -2.12 0.00 0.00 175.29 176.83 3ith n LYS 395 N 2.73 -0.02 0.12 2.91 4.76 -1.26 0.95 118.16 128.36 3ith n LYS 395 Ca -0.11 1.17 0.09 0.00 -2.87 0.00 0.00 58.31 56.59 3ith n LYS 395 Cb 0.52 -2.48 0.03 0.00 -1.84 0.00 0.00 35.03 31.26 3ith n LYS 395 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 3ith h GLU 396 N 0.00 0.00 -0.08 1.97 4.81 -1.97 -1.14 114.58 118.17 3ith h GLU 396 Ca 0.91 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 60.05 3ith h GLU 396 Cb 3.27 0.00 0.00 0.00 0.63 0.00 0.00 28.75 32.65 3ith h GLU 396 CO -0.25 0.08 -0.30 1.15 -0.73 0.00 0.00 179.01 178.96 3ith h THR 397 N 0.00 1.42 -0.34 0.32 2.02 0.20 -2.43 112.91 114.10 3ith h THR 397 Ca -0.02 -1.69 -0.04 0.00 0.77 0.00 0.00 66.41 65.43 3ith h THR 397 Cb 1.11 2.29 -0.01 0.00 -1.74 0.00 0.00 68.15 69.80 3ith h THR 397 CO 0.01 0.49 0.06 -0.25 0.37 0.00 0.00 175.52 176.20 3ith h TRP 398 N -0.15 0.60 -0.38 3.16 2.91 -1.51 -2.66 115.95 117.92 3ith h TRP 398 Ca -0.02 -0.08 0.07 0.00 1.13 0.00 0.00 58.89 59.99 3ith h TRP 398 Cb 0.94 -0.17 -0.06 0.00 -0.51 0.00 0.00 29.16 29.36 3ith h TRP 398 CO 0.13 0.62 0.00 0.93 -1.03 0.00 0.00 178.44 179.09 3ith h GLU 399 N 0.40 0.11 -0.34 2.65 4.39 -1.25 -2.37 114.58 118.16 3ith h GLU 399 Ca 0.11 -0.01 -0.15 0.00 0.34 0.00 0.00 59.36 59.65 3ith h GLU 399 Cb 0.34 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 3ith h GLU 399 CO 0.00 0.07 -0.39 1.79 -1.16 0.00 0.00 179.01 179.33 3ith h THR 400 N 0.11 1.28 0.35 1.13 1.35 -1.40 -3.00 112.91 112.72 3ith h THR 400 Ca 0.19 -1.56 -0.01 0.00 -0.55 0.00 0.00 66.41 64.47 3ith h THR 400 Cb 0.26 1.43 -0.01 0.00 -1.73 0.00 0.00 68.15 68.10 3ith h THR 400 CO -0.31 0.51 -0.29 -0.25 -0.25 0.00 0.00 175.52 174.93 3ith h TRP 401 N 0.67 -0.79 -0.22 4.73 2.91 -1.21 -2.47 115.95 119.57 3ith h TRP 401 Ca 0.06 0.00 0.03 0.00 1.13 0.00 0.00 58.89 60.11 3ith h TRP 401 Cb 0.95 0.30 -0.01 0.00 -0.51 0.00 0.00 29.16 29.89 3ith h TRP 401 CO 0.05 -0.40 0.15 0.11 -1.03 0.00 0.00 178.44 177.33 3ith h TRP 402 N -0.62 0.14 0.00 2.65 5.08 -1.54 0.91 115.95 122.57 3ith h TRP 402 Ca -0.04 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.93 3ith h TRP 402 Cb 0.52 -0.05 0.00 0.00 -3.00 0.00 0.00 29.16 26.63 3ith h TRP 402 CO -0.12 0.08 0.00 2.41 -1.28 0.00 0.00 178.44 179.53 3ith n THR 403 N -4.50 0.00 -2.70 0.12 -1.04 -1.11 -3.00 114.28 102.06 3ith n THR 403 Ca 0.01 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.02 3ith n THR 403 Cb 0.19 -0.31 0.06 0.00 -1.82 0.00 0.00 70.33 68.45 3ith n THR 403 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 3ith n GLU 404 N -0.78 1.33 -4.02 -2.82 4.07 0.25 -5.04 120.64 113.62 3ith n GLU 404 Ca 0.13 -2.52 -0.29 0.00 -0.06 0.00 0.00 57.16 54.42 3ith n GLU 404 Cb 0.06 -0.71 -0.17 0.00 -0.06 0.00 0.00 31.44 30.57 3ith n GLU 404 CO 0.00 0.00 0.00 -0.47 -0.06 0.00 0.00 177.13 176.60 3ith s TYR 405 N -2.00 2.01 0.46 4.31 5.04 -0.81 -4.96 117.35 121.39 3ith s TYR 405 Ca 0.21 -1.10 0.14 0.00 -2.44 0.00 0.00 57.07 53.88 3ith s TYR 405 Cb 0.35 -1.51 1.09 0.00 0.35 0.00 0.00 41.96 42.24 3ith s TYR 405 CO -0.08 -0.63 2.04 0.11 -1.34 0.00 0.00 175.55 175.66 3ith h TRP 406 N 8.04 0.29 -4.11 4.97 5.08 -1.91 -3.42 115.95 124.89 3ith h TRP 406 Ca -0.36 0.01 -0.45 0.00 1.08 0.00 0.00 58.89 59.16 3ith h TRP 406 Cb 1.14 -0.10 0.14 0.00 -3.00 0.00 0.00 29.16 27.34 3ith h TRP 406 CO 0.47 0.16 0.40 -0.65 -1.28 0.00 0.00 178.44 177.55 3ith s GLN 407 N -5.29 1.08 -0.11 0.12 -0.21 -1.26 -5.07 119.66 108.92 3ith s GLN 407 Ca -0.07 -0.29 -0.01 0.00 0.02 0.00 0.00 55.36 55.01 3ith s GLN 407 Cb 0.18 -1.90 -0.03 0.00 1.00 0.00 0.00 33.01 32.26 3ith s GLN 407 CO 0.72 -2.12 -0.06 0.00 -2.12 0.00 0.00 175.29 171.71 3ith s ALA 408 N -3.76 2.99 0.14 6.09 0.00 -1.26 -5.05 121.76 120.90 3ith s ALA 408 Ca 0.70 -0.85 -0.02 0.00 0.00 0.00 0.00 51.96 51.79 3ith s ALA 408 Cb -0.06 -1.38 -0.04 0.00 0.00 0.00 0.00 23.12 21.64 3ith s ALA 408 CO 0.51 0.41 0.08 0.95 0.00 0.00 0.00 175.76 177.71 3ith s THR 409 N -0.26 0.09 -0.25 0.00 -4.23 -1.26 -5.17 115.64 104.56 3ith s THR 409 Ca 0.04 -1.88 -0.27 0.00 -1.18 0.00 0.00 61.69 58.40 3ith s THR 409 Cb -0.13 -2.07 0.15 0.00 1.34 0.00 0.00 72.50 71.79 3ith s THR 409 CO 0.02 -0.41 1.16 0.86 -0.54 0.00 0.00 174.62 175.72 3ith s TRP 410 N -4.05 -0.29 -0.00 3.99 -0.00 -1.26 -5.07 118.94 112.25 3ith s TRP 410 Ca 0.25 0.64 0.05 0.00 -0.00 0.00 0.00 56.10 57.05 3ith s TRP 410 Cb 0.07 0.43 -0.01 0.00 -0.00 0.00 0.00 33.47 33.96 3ith s TRP 410 CO 0.03 -0.19 -0.17 0.42 -0.00 0.00 0.00 176.95 177.04 3ith s ILE 411 N -0.32 1.31 0.00 5.86 1.01 -1.26 -5.01 121.20 122.79 3ith s ILE 411 Ca 0.04 -0.78 0.00 0.00 0.00 0.00 0.00 60.65 59.91 3ith s ILE 411 Cb -0.03 -1.11 0.00 0.00 0.01 0.00 0.00 42.46 41.33 3ith s ILE 411 CO -0.07 0.31 0.00 -0.81 0.00 0.00 0.00 174.94 174.38 3ith n PRO 412 N 2.52 0.10 -1.80 2.79 -0.04 -1.26 -4.86 135.00 132.45 3ith n PRO 412 Ca -0.15 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.89 3ith n PRO 412 Cb 0.54 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.97 3ith n PRO 412 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 3ith s GLU 413 N -1.03 4.16 0.16 0.54 2.12 -1.26 -4.92 118.70 118.46 3ith s GLU 413 Ca 0.00 2.47 0.00 0.00 0.36 0.00 0.00 54.97 57.80 3ith s GLU 413 Cb 0.00 -3.99 -0.04 0.00 0.26 0.00 0.00 34.13 30.36 3ith s GLU 413 CO 0.00 -0.89 0.05 1.67 -0.54 0.00 0.00 175.26 175.55 3ith s TRP 414 N 3.95 1.07 -0.03 5.30 1.48 -1.26 -1.94 118.94 127.51 3ith s TRP 414 Ca 0.82 -1.18 0.01 0.00 -1.06 0.00 0.00 56.10 54.69 3ith s TRP 414 Cb -0.40 -0.60 0.02 0.00 -1.16 0.00 0.00 33.47 31.33 3ith s TRP 414 CO 0.37 -0.42 -0.04 -2.00 -4.06 0.00 0.00 176.95 170.79 3ith s GLU 415 N -4.02 0.69 0.11 3.25 2.12 0.18 -4.96 118.70 116.08 3ith s GLU 415 Ca 0.27 -0.11 -0.31 0.00 0.36 0.00 0.00 54.97 55.18 3ith s GLU 415 Cb 0.07 -0.71 -0.10 0.00 0.26 0.00 0.00 34.13 33.65 3ith s GLU 415 CO 0.05 -0.03 1.78 0.12 -0.54 0.00 0.00 175.26 176.63 3ith s PHE 416 N 0.67 2.22 -0.66 5.30 5.36 -1.26 -1.35 117.98 128.26 3ith s PHE 416 Ca -0.08 0.07 -0.04 0.00 -0.96 0.00 0.00 56.93 55.92 3ith s PHE 416 Cb -0.12 -4.12 0.17 0.00 -0.34 0.00 0.00 43.02 38.61 3ith s PHE 416 CO -0.00 -4.59 0.48 0.54 -1.46 0.00 0.00 175.22 170.20 3ith s VAL 417 N 2.72 3.93 -0.59 3.12 0.11 -0.79 -4.81 120.40 124.08 3ith s VAL 417 Ca 0.79 -2.95 -0.32 0.00 -2.93 0.00 0.00 61.98 56.57 3ith s VAL 417 Cb -0.44 -3.54 -0.14 0.00 -1.53 0.00 0.00 36.38 30.73 3ith s VAL 417 CO 0.35 -0.90 2.41 -3.20 -3.33 0.00 0.00 175.10 170.43 3ith n ASN 418 N 3.49 1.54 0.00 3.54 2.85 -1.26 -4.27 115.26 121.15 3ith n ASN 418 Ca 0.09 0.10 0.00 0.00 -0.11 0.00 0.00 54.58 54.66 3ith n ASN 418 Cb 0.39 -1.23 0.00 0.00 1.24 0.00 0.00 39.78 40.18 3ith n ASN 418 CO 0.00 0.00 0.00 1.07 -2.11 0.00 0.00 177.26 176.22 3ith n THR 419 N 7.48 0.00 0.00 -0.44 5.66 -1.26 -5.13 114.28 120.59 3ith n THR 419 Ca 0.48 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.48 3ith n THR 419 Cb 0.24 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.02 3ith n THR 419 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 175.07 169.37 3ith n PRO 420 N 0.00 0.00 -1.98 1.09 -0.02 -1.26 -4.56 135.00 128.27 3ith n PRO 420 Ca 0.00 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.05 3ith n PRO 420 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 33.45 3ith n PRO 420 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3ith s PRO 421 N 0.00 3.96 0.61 0.52 0.04 -1.26 -4.96 135.00 133.90 3ith s PRO 421 Ca 0.00 2.03 -0.15 0.00 0.04 0.00 0.00 61.00 62.91 3ith s PRO 421 Cb 0.00 -4.05 -0.03 0.00 0.04 0.00 0.00 34.50 30.46 3ith s PRO 421 CO 0.00 -1.12 1.07 -0.51 0.04 0.00 0.00 177.00 176.48 3ith s LEU 422 N 4.83 3.47 -0.16 -3.56 1.43 -1.26 -4.59 118.68 118.84 3ith s LEU 422 Ca 0.76 1.84 -0.20 0.00 -1.03 0.00 0.00 54.13 55.50 3ith s LEU 422 Cb -0.31 -4.53 -0.03 0.00 0.03 0.00 0.00 46.19 41.34 3ith s LEU 422 CO 0.31 -1.24 0.58 0.68 0.23 0.00 0.00 176.35 176.91 3ith s VAL 423 N -2.45 5.08 0.14 -1.59 -7.23 0.17 -5.04 120.40 109.48 3ith s VAL 423 Ca 0.64 1.11 -0.08 0.00 -1.81 0.00 0.00 61.98 61.85 3ith s VAL 423 Cb -0.17 -3.90 -0.01 0.00 0.56 0.00 0.00 36.38 32.86 3ith s VAL 423 CO 0.38 0.19 0.23 -0.75 -0.31 0.00 0.00 175.10 174.84 3ith s LYS 424 N 1.43 1.06 -0.28 4.82 2.47 -1.26 -4.61 119.74 123.37 3ith s LYS 424 Ca 0.28 -1.17 -0.24 0.00 -1.56 0.00 0.00 55.97 53.28 3ith s LYS 424 Cb -0.16 0.35 -0.00 0.00 -1.46 0.00 0.00 37.83 36.56 3ith s LYS 424 CO 0.11 -0.37 0.80 -0.51 0.16 0.00 0.00 175.35 175.54 3ith s LEU 425 N -2.96 4.08 0.00 5.43 1.43 -1.26 -4.83 118.68 120.57 3ith s LEU 425 Ca 0.16 0.82 0.04 0.00 -1.03 0.00 0.00 54.13 54.12 3ith s LEU 425 Cb 0.04 -3.11 0.24 0.00 0.03 0.00 0.00 46.19 43.39 3ith s LEU 425 CO -0.02 -0.56 1.13 0.79 0.23 0.00 0.00 176.35 177.92 3ith n TRP 426 N 6.10 0.00 0.00 0.29 7.02 -1.26 -4.83 117.44 124.76 3ith n TRP 426 Ca 0.04 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.52 3ith n TRP 426 Cb 0.48 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.37 3ith n TRP 426 CO 0.00 0.00 0.00 2.48 -2.02 0.00 0.00 177.69 178.15 3ith n TYR 427 N -0.56 0.00 -3.94 -5.99 4.11 -1.26 -4.52 117.16 104.99 3ith n TYR 427 Ca 0.03 0.00 -0.10 0.00 -0.00 0.00 0.00 57.90 57.83 3ith n TYR 427 Cb 0.01 0.00 -0.12 0.00 -0.00 0.00 0.00 39.34 39.24 3ith n TYR 427 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.86 176.21 3ith s GLN 428 N -2.00 0.27 0.18 -3.48 -0.21 -1.26 -5.08 119.66 108.07 3ith s GLN 428 Ca 0.00 -0.44 -0.15 0.00 0.02 0.00 0.00 55.36 54.79 3ith s GLN 428 Cb 0.00 0.10 -0.07 0.00 1.00 0.00 0.00 33.01 34.04 3ith s GLN 428 CO 0.00 -0.05 0.59 -0.51 -2.12 0.00 0.00 175.29 173.21 3ith s LEU 429 N -1.11 4.31 0.61 2.90 1.43 -1.26 -4.59 118.68 120.96 3ith s LEU 429 Ca -0.12 1.14 -0.18 0.00 -1.03 0.00 0.00 54.13 53.94 3ith s LEU 429 Cb -0.07 -3.40 -0.03 0.00 0.03 0.00 0.00 46.19 42.72 3ith s LEU 429 CO -0.00 0.06 1.18 -1.61 0.23 0.00 0.00 176.35 176.20 3ith s GLU 430 N -2.08 2.92 0.09 1.70 0.41 0.95 -4.94 118.70 117.76 3ith s GLU 430 Ca 0.40 1.72 0.21 0.00 -0.41 0.00 0.00 54.97 56.89 3ith s GLU 430 Cb -0.15 -1.94 -0.13 0.00 -1.78 0.00 0.00 34.13 30.13 3ith s GLU 430 CO 0.20 -1.22 0.80 1.63 -0.49 0.00 0.00 175.26 176.18 3ith n LYS 431 N -1.78 0.63 -4.40 1.61 5.02 -1.26 -4.69 118.16 113.29 3ith n LYS 431 Ca 0.13 0.04 -0.26 0.00 -2.02 0.00 0.00 58.31 56.20 3ith n LYS 431 Cb 0.50 -1.72 -0.12 0.00 -0.02 0.00 0.00 35.03 33.67 3ith n LYS 431 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3ith s GLU 432 N -3.29 1.44 0.38 1.97 0.41 -1.26 -5.11 118.70 113.24 3ith s GLU 432 Ca -0.04 -1.47 -0.27 0.00 -0.41 0.00 0.00 54.97 52.79 3ith s GLU 432 Cb 0.10 -1.74 -0.09 0.00 -1.78 0.00 0.00 34.13 30.63 3ith s GLU 432 CO 0.83 0.38 1.28 -1.25 -0.49 0.00 0.00 175.26 176.01 3ith s PRO 433 N -2.59 4.10 0.10 0.39 0.04 -1.26 -4.85 135.00 130.94 3ith s PRO 433 Ca 0.18 2.11 -0.29 0.00 0.04 0.00 0.00 61.00 63.05 3ith s PRO 433 Cb -0.08 -2.84 -0.06 0.00 0.04 0.00 0.00 34.50 31.56 3ith s PRO 433 CO 0.09 -0.37 0.91 0.42 0.04 0.00 0.00 177.00 178.09 3ith s ILE 434 N -1.25 4.54 0.11 0.56 1.01 -1.26 -5.04 121.20 119.86 3ith s ILE 434 Ca 0.54 1.97 -0.26 0.00 0.00 0.00 0.00 60.65 62.90 3ith s ILE 434 Cb -0.37 -4.27 -0.06 0.00 0.01 0.00 0.00 42.46 37.76 3ith s ILE 434 CO 0.48 0.34 0.82 -0.69 0.00 0.00 0.00 174.94 175.89 3ith s VAL 435 N -0.08 4.54 -0.96 2.92 1.01 -1.26 -3.83 120.40 122.75 3ith s VAL 435 Ca 0.45 1.77 -0.05 0.00 0.00 0.00 0.00 61.98 64.15 3ith s VAL 435 Cb -0.23 -4.18 -0.05 0.00 0.00 0.00 0.00 36.38 31.92 3ith s VAL 435 CO 0.28 0.41 0.83 0.61 0.00 0.00 0.00 175.10 177.24 3ith n GLY 436 N 2.07 -0.84 3.00 4.51 0.00 -1.26 -5.06 105.19 107.61 3ith n GLY 436 Ca -0.02 0.43 -0.14 0.00 0.00 0.00 0.00 46.02 46.28 3ith n GLY 436 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ith s ALA 437 N -3.34 0.44 -0.37 4.61 0.00 -1.25 -5.04 121.76 116.81 3ith s ALA 437 Ca 0.35 -0.48 -0.28 0.00 0.00 0.00 0.00 51.96 51.55 3ith s ALA 437 Cb -0.05 -0.02 -0.01 0.00 0.00 0.00 0.00 23.12 23.05 3ith s ALA 437 CO 0.66 0.02 1.74 -2.00 0.00 0.00 0.00 175.76 176.18 3ith s GLU 438 N -0.86 3.31 -0.51 0.00 2.12 -1.26 -4.76 118.70 116.74 3ith s GLU 438 Ca -0.05 1.27 -0.28 0.00 0.36 0.00 0.00 54.97 56.27 3ith s GLU 438 Cb -0.06 -4.19 0.01 0.00 0.26 0.00 0.00 34.13 30.15 3ith s GLU 438 CO 0.00 -1.89 1.45 0.99 -0.54 0.00 0.00 175.26 175.27 3ith s THR 439 N 6.84 3.79 -0.28 -1.70 2.01 -1.26 -3.58 115.64 121.46 3ith s THR 439 Ca 0.75 0.72 -0.21 0.00 0.31 0.00 0.00 61.69 63.27 3ith s THR 439 Cb -0.20 -4.32 -0.01 0.00 0.01 0.00 0.00 72.50 67.98 3ith s THR 439 CO 0.32 -1.00 0.66 -0.36 -0.69 0.00 0.00 174.62 173.56 3ith s PHE 440 N 6.03 3.24 -0.50 4.92 0.40 0.21 -3.14 117.98 129.14 3ith s PHE 440 Ca 0.57 0.74 -0.19 0.00 -0.60 0.00 0.00 56.93 57.45 3ith s PHE 440 Cb -0.12 -2.97 0.06 0.00 0.51 0.00 0.00 43.02 40.50 3ith s PHE 440 CO 0.28 -0.43 0.59 0.71 0.70 0.00 0.00 175.22 177.07 3ith s TYR 441 N 2.63 3.08 0.24 0.36 1.51 0.20 -1.04 117.35 124.33 3ith s TYR 441 Ca 0.27 -0.59 0.05 0.00 -1.01 0.00 0.00 57.07 55.79 3ith s TYR 441 Cb -0.15 -3.49 -0.03 0.00 -0.11 0.00 0.00 41.96 38.18 3ith s TYR 441 CO 0.10 -1.00 0.33 0.54 -1.11 0.00 0.00 175.55 174.42 3ith s VAL 442 N 2.49 5.13 0.00 0.71 0.11 -0.88 -1.32 120.40 126.64 3ith s VAL 442 Ca 0.14 -1.06 0.00 0.00 -2.93 0.00 0.00 61.98 58.13 3ith s VAL 442 Cb -0.20 -3.79 0.00 0.00 -1.53 0.00 0.00 36.38 30.86 3ith s VAL 442 CO 0.11 -0.33 0.00 -0.67 -3.33 0.00 0.00 175.10 170.88 3ith n ASP 443 N -1.37 0.00 -4.13 3.54 2.03 -1.07 -4.52 116.55 111.03 3ith n ASP 443 Ca -0.09 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.10 3ith n ASP 443 Cb 0.57 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.88 3ith n ASP 443 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 3ith s GLY 444 N 0.00 1.39 -0.07 0.27 0.00 -1.26 -1.86 107.32 105.79 3ith s GLY 444 Ca 0.00 -1.63 -0.30 0.00 0.00 0.00 0.00 44.72 42.79 3ith s GLY 444 CO 0.00 -1.32 0.68 0.00 0.00 0.00 0.00 173.10 172.45 3ith s ALA 445 N -4.10 -1.75 -0.00 3.20 0.00 0.28 -4.80 121.76 114.58 3ith s ALA 445 Ca 0.37 1.37 -0.05 0.00 0.00 0.00 0.00 51.96 53.65 3ith s ALA 445 Cb 0.06 -0.13 -0.00 0.00 0.00 0.00 0.00 23.12 23.05 3ith s ALA 445 CO 0.12 -0.36 0.10 0.00 0.00 0.00 0.00 175.76 175.62 3ith s ALA 446 N -1.02 -0.24 -0.46 0.00 0.00 -1.26 -0.73 121.76 118.05 3ith s ALA 446 Ca -0.10 -0.14 -0.09 0.00 0.00 0.00 0.00 51.96 51.63 3ith s ALA 446 Cb -0.01 0.06 0.11 0.00 0.00 0.00 0.00 23.12 23.28 3ith s ALA 446 CO 0.09 -0.17 0.33 1.21 0.00 0.00 0.00 175.76 177.21 3ith s ASN 447 N -1.14 5.70 0.33 0.00 2.47 0.29 -4.75 114.94 117.84 3ith s ASN 447 Ca -0.12 -1.80 0.15 0.00 0.42 0.00 0.00 52.86 51.50 3ith s ASN 447 Cb -0.07 -2.01 0.80 0.00 -1.45 0.00 0.00 41.25 38.52 3ith s ASN 447 CO 0.01 -0.66 1.37 0.03 -3.72 0.00 0.00 177.10 174.13 3ith h ARG 448 N 8.45 0.00 0.00 0.43 2.47 -1.93 0.10 114.38 123.90 3ith h ARG 448 Ca -0.22 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.50 3ith h ARG 448 Cb 1.08 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.40 3ith h ARG 448 CO 0.84 0.00 0.00 0.39 0.56 0.00 0.00 179.97 181.76 3ith n GLU 449 N -2.10 0.00 0.18 0.04 -0.58 -1.26 -4.46 120.64 112.46 3ith n GLU 449 Ca -0.01 0.19 0.14 0.00 -0.42 0.00 0.00 57.16 57.06 3ith n GLU 449 Cb 0.28 -0.63 0.61 0.00 -0.57 0.00 0.00 31.44 31.13 3ith n GLU 449 CO 0.00 0.00 0.00 1.79 -0.48 0.00 0.00 177.13 178.44 3ith h THR 450 N 0.00 0.00 -0.30 2.62 1.35 -1.95 -3.46 112.91 111.17 3ith h THR 450 Ca 0.00 -0.23 -0.13 0.00 -0.55 0.00 0.00 66.41 65.50 3ith h THR 450 Cb 0.00 0.99 -0.05 0.00 -1.73 0.00 0.00 68.15 67.36 3ith h THR 450 CO 0.00 0.00 -0.12 1.17 -0.25 0.00 0.00 175.52 176.32 3ith n LYS 451 N -2.48 -0.80 -3.69 4.72 3.00 0.33 -4.82 118.16 114.43 3ith n LYS 451 Ca 0.01 0.62 -0.30 0.00 -0.00 0.00 0.00 58.31 58.64 3ith n LYS 451 Cb 0.20 -4.47 -0.04 0.00 0.00 0.00 0.00 35.03 30.72 3ith n LYS 451 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 3ith s LEU 452 N -1.42 4.25 0.00 3.14 1.43 -1.25 -1.66 118.68 123.17 3ith s LEU 452 Ca 0.00 0.49 -0.11 0.00 -1.03 0.00 0.00 54.13 53.49 3ith s LEU 452 Cb 0.00 -3.24 0.04 0.00 0.03 0.00 0.00 46.19 43.03 3ith s LEU 452 CO 0.00 0.01 0.57 0.61 0.23 0.00 0.00 176.35 177.77 3ith n GLY 453 N -0.24 1.26 3.13 -3.19 0.00 -0.70 -0.55 105.19 104.91 3ith n GLY 453 Ca -0.03 -1.19 -0.10 0.00 0.00 0.00 0.00 46.02 44.70 3ith n GLY 453 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ith s LYS 454 N -2.06 0.61 -0.01 1.61 1.02 0.09 0.11 119.74 121.10 3ith s LYS 454 Ca 0.11 -0.69 -0.03 0.00 0.02 0.00 0.00 55.97 55.38 3ith s LYS 454 Cb -0.04 0.24 -0.00 0.00 -0.52 0.00 0.00 37.83 37.52 3ith s LYS 454 CO 0.08 -0.16 0.07 0.00 -0.92 0.00 0.00 175.35 174.43 3ith s ALA 455 N -2.51 -0.16 0.09 5.17 0.00 -1.02 -0.56 121.76 122.77 3ith s ALA 455 Ca -0.06 -0.06 -0.19 0.00 0.00 0.00 0.00 51.96 51.65 3ith s ALA 455 Cb -0.02 -0.00 0.07 0.00 0.00 0.00 0.00 23.12 23.17 3ith s ALA 455 CO -0.04 -0.11 0.90 0.41 0.00 0.00 0.00 175.76 176.91 3ith n GLY 456 N 2.27 0.58 3.51 0.00 0.00 -0.78 -0.80 105.19 109.98 3ith n GLY 456 Ca -0.18 -1.07 -0.14 0.00 0.00 0.00 0.00 46.02 44.63 3ith n GLY 456 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3ith s TYR 457 N -2.65 1.00 -0.20 1.61 -0.00 -0.71 -2.58 117.35 113.82 3ith s TYR 457 Ca 0.20 -1.26 -0.14 0.00 -0.00 0.00 0.00 57.07 55.88 3ith s TYR 457 Cb -0.02 -0.04 0.06 0.00 -0.00 0.00 0.00 41.96 41.97 3ith s TYR 457 CO 0.03 -1.15 0.50 0.08 -0.00 0.00 0.00 175.55 175.01 3ith s VAL 458 N -3.05 -0.01 0.52 -3.49 1.01 -0.44 -2.73 120.40 112.21 3ith s VAL 458 Ca 0.30 0.04 0.05 0.00 0.00 0.00 0.00 61.98 62.36 3ith s VAL 458 Cb -0.01 -0.73 0.02 0.00 0.00 0.00 0.00 36.38 35.67 3ith s VAL 458 CO 0.20 0.02 0.32 0.42 0.00 0.00 0.00 175.10 176.05 3ith s THR 459 N 0.98 1.72 -1.19 3.92 -4.23 -0.61 0.62 115.64 116.84 3ith s THR 459 Ca -0.06 -1.58 0.13 0.00 -1.18 0.00 0.00 61.69 59.01 3ith s THR 459 Cb -0.06 -2.30 0.54 0.00 1.34 0.00 0.00 72.50 72.03 3ith s THR 459 CO -0.09 0.00 1.41 -0.46 -0.54 0.00 0.00 174.62 174.94 3ith n ASN 460 N -1.62 3.73 -0.33 3.99 6.94 -1.19 -3.58 115.26 123.20 3ith n ASN 460 Ca -0.04 -2.36 0.08 0.00 -0.02 0.00 0.00 54.58 52.24 3ith n ASN 460 Cb 0.65 -0.51 0.14 0.00 -2.36 0.00 0.00 39.78 37.70 3ith n ASN 460 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 3ith n LYS 461 N 0.76 1.18 0.00 -3.83 5.02 -1.26 -4.99 118.16 115.03 3ith n LYS 461 Ca 0.19 -2.59 0.00 0.00 -2.02 0.00 0.00 58.31 53.89 3ith n LYS 461 Cb 0.71 -1.36 0.00 0.00 -0.02 0.00 0.00 35.03 34.36 3ith n LYS 461 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ith n GLY 462 N -1.11 2.42 3.75 0.72 0.00 -1.24 -4.99 105.19 104.75 3ith n GLY 462 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 3ith n GLY 462 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3ith s ARG 463 N 0.00 4.24 0.00 1.61 3.52 -1.26 -4.85 118.95 122.21 3ith s ARG 463 Ca 0.00 2.37 -0.05 0.00 -0.13 0.00 0.00 55.73 57.92 3ith s ARG 463 Cb 0.00 -3.07 -0.00 0.00 -1.56 0.00 0.00 34.95 30.32 3ith s ARG 463 CO 0.00 -0.43 0.08 -0.65 -0.81 0.00 0.00 175.30 173.49 3ith s GLN 464 N -0.87 0.38 0.00 5.12 -0.21 -1.26 -1.58 119.66 121.24 3ith s GLN 464 Ca 0.57 -0.38 -0.06 0.00 0.02 0.00 0.00 55.36 55.52 3ith s GLN 464 Cb -0.43 0.15 -0.00 0.00 1.00 0.00 0.00 33.01 33.73 3ith s GLN 464 CO 0.48 -0.08 0.11 0.21 -2.12 0.00 0.00 175.29 173.90 3ith s LYS 465 N -1.18 0.44 -0.14 2.91 2.20 -1.11 -4.96 119.74 117.90 3ith s LYS 465 Ca -0.13 -0.39 -0.06 0.00 -0.36 0.00 0.00 55.97 55.03 3ith s LYS 465 Cb -0.07 0.18 0.07 0.00 -1.51 0.00 0.00 37.83 36.49 3ith s LYS 465 CO 0.01 -0.10 0.31 0.08 -0.36 0.00 0.00 175.35 175.29 3ith s VAL 466 N -1.30 -0.36 -0.10 4.02 1.01 -1.26 -1.74 120.40 120.68 3ith s VAL 466 Ca -0.14 0.21 0.03 0.00 0.00 0.00 0.00 61.98 62.08 3ith s VAL 466 Cb -0.08 -0.50 -0.01 0.00 0.00 0.00 0.00 36.38 35.80 3ith s VAL 466 CO 0.01 0.09 -0.19 -0.69 0.00 0.00 0.00 175.10 174.32 3ith s VAL 467 N 2.15 2.52 0.25 2.92 1.01 0.02 -4.97 120.40 124.30 3ith s VAL 467 Ca -0.02 -0.87 -0.18 0.00 0.00 0.00 0.00 61.98 60.91 3ith s VAL 467 Cb -0.11 -2.00 -0.08 0.00 0.00 0.00 0.00 36.38 34.19 3ith s VAL 467 CO -0.10 0.55 0.72 -2.16 0.00 0.00 0.00 175.10 174.11 3ith s PRO 468 N 0.12 4.15 0.01 2.72 0.04 -1.26 -2.44 135.00 138.34 3ith s PRO 468 Ca -0.09 0.78 0.05 0.00 0.04 0.00 0.00 61.00 61.78 3ith s PRO 468 Cb -0.16 -2.73 -0.02 0.00 0.04 0.00 0.00 34.50 31.64 3ith s PRO 468 CO 0.06 0.32 -0.16 -0.51 0.04 0.00 0.00 177.00 176.74 3ith s LEU 469 N -2.32 2.10 -0.02 -3.56 1.43 0.30 -4.95 118.68 111.66 3ith s LEU 469 Ca 0.47 -0.38 0.04 0.00 -1.03 0.00 0.00 54.13 53.22 3ith s LEU 469 Cb -0.14 -0.80 -0.03 0.00 0.03 0.00 0.00 46.19 45.25 3ith s LEU 469 CO 0.20 0.15 -0.13 0.42 0.23 0.00 0.00 176.35 177.21 3ith s THR 470 N -0.59 3.16 -1.21 5.49 -4.23 -1.26 -1.72 115.64 115.28 3ith s THR 470 Ca 0.05 -0.83 -0.09 0.00 -1.18 0.00 0.00 61.69 59.65 3ith s THR 470 Cb -0.07 -2.29 -0.02 0.00 1.34 0.00 0.00 72.50 71.46 3ith s THR 470 CO 0.00 0.49 0.75 0.59 -0.54 0.00 0.00 174.62 175.92 3ith n ASN 471 N 1.97 -3.55 -4.50 3.99 3.02 -0.66 -5.00 115.26 110.53 3ith n ASN 471 Ca -0.17 -0.89 -0.24 0.00 -0.03 0.00 0.00 54.58 53.25 3ith n ASN 471 Cb 0.52 -3.94 -0.10 0.00 -0.61 0.00 0.00 39.78 35.65 3ith n ASN 471 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3ith s THR 472 N -3.57 1.42 0.23 3.41 -4.23 -0.92 -5.06 115.64 106.93 3ith s THR 472 Ca 0.25 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 58.86 3ith s THR 472 Cb -0.07 -2.81 -0.05 0.00 1.34 0.00 0.00 72.50 70.91 3ith s THR 472 CO 0.82 0.00 -0.18 0.42 -0.54 0.00 0.00 174.62 175.14 3ith s THR 473 N -3.08 2.13 0.10 3.99 -4.23 -1.26 -4.58 115.64 108.70 3ith s THR 473 Ca 0.34 -2.26 -0.28 0.00 -1.18 0.00 0.00 61.69 58.31 3ith s THR 473 Cb 0.08 -2.14 -0.11 0.00 1.34 0.00 0.00 72.50 71.68 3ith s THR 473 CO 0.16 -0.44 1.45 0.78 -0.54 0.00 0.00 174.62 176.03 3ith h ASN 474 N 2.55 -1.43 0.00 3.99 2.35 -1.91 -0.73 115.58 120.40 3ith h ASN 474 Ca -0.40 0.17 0.00 0.00 -0.55 0.00 0.00 56.30 55.52 3ith h ASN 474 Cb 1.24 0.56 0.00 0.00 0.05 0.00 0.00 38.32 40.17 3ith h ASN 474 CO 0.59 -0.40 0.00 0.06 -1.65 0.00 0.00 177.43 176.04 3ith h GLN 475 N -0.48 0.00 0.17 0.81 3.07 -1.97 -0.25 115.11 116.46 3ith h GLN 475 Ca 0.03 0.00 -0.25 0.00 0.09 0.00 0.00 58.65 58.52 3ith h GLN 475 Cb 0.56 0.00 0.03 0.00 0.08 0.00 0.00 27.48 28.15 3ith h GLN 475 CO -0.37 0.00 -1.09 -0.22 0.09 0.00 0.00 178.83 177.25 3ith h LYS 476 N 0.00 0.44 0.00 0.06 3.64 -1.58 -3.21 116.57 115.92 3ith h LYS 476 Ca 0.00 -0.70 -0.01 0.00 -1.27 0.00 0.00 60.65 58.67 3ith h LYS 476 Cb 0.01 0.25 -0.00 0.00 -0.41 0.00 0.00 32.23 32.08 3ith h LYS 476 CO 0.00 1.32 -0.07 1.79 -2.27 0.00 0.00 179.45 180.23 3ith h THR 477 N -0.08 0.20 -0.21 1.00 1.35 -0.15 -0.34 112.91 114.69 3ith h THR 477 Ca -0.18 -0.60 -0.07 0.00 -0.55 0.00 0.00 66.41 65.01 3ith h THR 477 Cb 1.83 1.50 -0.01 0.00 -1.73 0.00 0.00 68.15 69.74 3ith h THR 477 CO 0.21 0.07 -0.16 1.56 -0.25 0.00 0.00 175.52 176.94 3ith h GLN 478 N 0.00 0.35 0.04 4.72 1.08 -1.31 -0.14 115.11 119.85 3ith h GLN 478 Ca -0.00 -0.10 -0.27 0.00 -1.45 0.00 0.00 58.65 56.83 3ith h GLN 478 Cb 0.49 -0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.85 3ith h GLN 478 CO 0.01 0.51 -1.44 -0.07 -0.95 0.00 0.00 178.83 176.89 3ith h LEU 479 N 0.32 0.14 0.23 1.46 3.38 -1.40 -3.12 115.31 116.32 3ith h LEU 479 Ca 0.06 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 3ith h LEU 479 Cb 0.48 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3ith h LEU 479 CO 0.03 1.18 -0.11 -0.61 0.09 0.00 0.00 178.44 179.02 3ith h GLN 480 N 0.02 -0.30 -0.77 1.13 5.75 -0.90 -1.79 115.11 118.25 3ith h GLN 480 Ca -0.19 0.02 0.07 0.00 -0.15 0.00 0.00 58.65 58.40 3ith h GLN 480 Cb 1.94 0.07 -0.06 0.00 1.07 0.00 0.00 27.48 30.50 3ith h GLN 480 CO 0.12 -0.14 0.45 0.00 -2.65 0.00 0.00 178.83 176.61 3ith h ALA 481 N 0.36 1.06 -0.61 3.38 0.00 -1.14 -1.06 119.26 121.26 3ith h ALA 481 Ca -0.03 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.90 3ith h ALA 481 Cb 0.30 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3ith h ALA 481 CO 0.05 0.13 0.40 0.82 0.00 0.00 0.00 179.25 180.65 3ith h ILE 482 N 0.80 1.16 -0.02 0.00 2.04 -1.42 -2.27 117.51 117.81 3ith h ILE 482 Ca 0.35 -0.29 -0.00 0.00 1.00 0.00 0.00 64.86 65.92 3ith h ILE 482 Cb 0.23 0.27 -0.00 0.00 -0.74 0.00 0.00 36.82 36.58 3ith h ILE 482 CO -0.20 0.15 0.01 0.22 0.00 0.00 0.00 178.15 178.33 3ith h TYR 483 N 0.82 0.03 0.00 1.37 3.20 -0.35 -1.65 116.97 120.40 3ith h TYR 483 Ca 0.22 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.09 3ith h TYR 483 Cb -0.09 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.17 3ith h TYR 483 CO 0.00 0.18 0.00 1.28 -1.64 0.00 0.00 178.16 177.98 3ith n LEU 484 N -5.00 0.00 -0.35 2.82 4.77 -0.72 -0.86 117.00 117.66 3ith n LEU 484 Ca -0.07 0.97 0.07 0.00 -0.03 0.00 0.00 56.01 56.94 3ith n LEU 484 Cb 0.10 -0.47 0.15 0.00 -2.33 0.00 0.00 43.42 40.88 3ith n LEU 484 CO 0.33 -0.47 0.68 0.00 -1.33 0.00 0.00 177.39 176.61 3ith h ALA 485 N -1.24 0.71 0.16 -1.18 0.00 -1.28 0.31 119.26 116.74 3ith h ALA 485 Ca 0.00 0.38 0.01 0.00 0.00 0.00 0.00 54.91 55.30 3ith h ALA 485 Cb 0.00 0.72 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 3ith h ALA 485 CO 0.00 -0.41 -0.29 -0.07 0.00 0.00 0.00 179.25 178.48 3ith h LEU 486 N 0.00 -0.83 -1.20 0.00 3.38 -0.36 -3.09 115.31 113.22 3ith h LEU 486 Ca 0.48 0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.54 3ith h LEU 486 Cb 0.78 0.31 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 3ith h LEU 486 CO -1.00 -0.39 -0.02 0.06 0.09 0.00 0.00 178.44 177.18 3ith h GLN 487 N -0.53 0.00 -1.53 1.13 3.07 0.16 -3.06 115.11 114.35 3ith h GLN 487 Ca 0.02 0.00 -0.71 0.00 0.09 0.00 0.00 58.65 58.05 3ith h GLN 487 Cb 0.55 0.00 -0.30 0.00 0.08 0.00 0.00 27.48 27.81 3ith h GLN 487 CO -0.15 0.02 0.78 -0.25 0.09 0.00 0.00 178.83 179.32 3ith n ASP 488 N -3.12 7.28 -3.49 0.06 9.92 -0.58 -4.99 116.55 121.64 3ith n ASP 488 Ca 0.01 -3.81 -0.11 0.00 -0.53 0.00 0.00 54.79 50.35 3ith n ASP 488 Cb 0.35 -0.96 -0.02 0.00 -0.64 0.00 0.00 41.12 39.85 3ith n ASP 488 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 3ith s SER 489 N -1.66 -0.49 0.82 -2.24 1.04 -1.16 -4.97 113.70 105.05 3ith s SER 489 Ca 0.57 -0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.89 3ith s SER 489 Cb 0.46 0.59 0.00 0.00 0.10 0.00 0.00 66.02 67.17 3ith s SER 489 CO -0.23 -0.98 0.00 0.61 0.98 0.00 0.00 173.24 173.63 3ith n GLY 490 N -0.36 -3.36 0.06 7.32 0.00 -1.26 -4.85 105.19 102.74 3ith n GLY 490 Ca -0.16 -1.28 0.11 0.00 0.00 0.00 0.00 46.02 44.70 3ith n GLY 490 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ith n LEU 491 N 0.00 0.34 -3.76 0.99 4.77 -1.26 -4.66 117.00 113.42 3ith n LEU 491 Ca 0.00 0.56 -0.27 0.00 -0.03 0.00 0.00 56.01 56.27 3ith n LEU 491 Cb 0.00 -0.49 -0.16 0.00 -2.33 0.00 0.00 43.42 40.44 3ith n LEU 491 CO 0.00 -0.27 -0.38 -1.61 -1.33 0.00 0.00 177.39 173.81 3ith s GLU 492 N -3.11 0.78 0.01 3.23 2.02 -1.26 -0.20 118.70 120.17 3ith s GLU 492 Ca 0.08 -0.42 -0.04 0.00 0.02 0.00 0.00 54.97 54.61 3ith s GLU 492 Cb 0.12 -2.04 -0.01 0.00 0.10 0.00 0.00 34.13 32.31 3ith s GLU 492 CO 0.42 -0.59 0.06 0.54 0.02 0.00 0.00 175.26 175.71 3ith s VAL 493 N 1.82 0.09 -0.30 2.63 0.11 0.07 -4.29 120.40 120.53 3ith s VAL 493 Ca -0.01 -0.77 -0.03 0.00 -2.93 0.00 0.00 61.98 58.24 3ith s VAL 493 Cb -0.17 -0.34 0.04 0.00 -1.53 0.00 0.00 36.38 34.38 3ith s VAL 493 CO -0.08 -0.42 0.03 0.20 -3.33 0.00 0.00 175.10 171.50 3ith s ASN 494 N -1.37 4.95 -0.04 3.54 0.01 -1.23 -1.76 114.94 119.04 3ith s ASN 494 Ca -0.15 -1.14 -0.03 0.00 -0.71 0.00 0.00 52.86 50.83 3ith s ASN 494 Cb -0.08 -1.76 -0.04 0.00 0.41 0.00 0.00 41.25 39.78 3ith s ASN 494 CO 0.00 -0.26 0.13 -0.63 -1.51 0.00 0.00 177.10 174.84 3ith s ILE 495 N 1.32 5.14 -0.14 0.60 1.01 -0.47 0.66 121.20 129.31 3ith s ILE 495 Ca -0.03 -0.17 -0.02 0.00 0.00 0.00 0.00 60.65 60.42 3ith s ILE 495 Cb -0.19 -3.34 0.05 0.00 0.01 0.00 0.00 42.46 38.99 3ith s ILE 495 CO -0.00 0.41 0.03 -0.69 0.00 0.00 0.00 174.94 174.69 3ith s VAL 496 N -1.19 0.39 0.25 2.92 1.01 -0.21 -0.36 120.40 123.22 3ith s VAL 496 Ca 0.22 -0.24 0.11 0.00 0.00 0.00 0.00 61.98 62.08 3ith s VAL 496 Cb -0.12 -0.78 -0.05 0.00 0.00 0.00 0.00 36.38 35.43 3ith s VAL 496 CO 0.13 -0.03 -0.20 0.28 0.00 0.00 0.00 175.10 175.28 3ith s THR 497 N 1.94 2.36 -1.48 3.92 -1.32 0.19 -2.07 115.64 119.18 3ith s THR 497 Ca 0.02 -2.31 0.18 0.00 -1.21 0.00 0.00 61.69 58.36 3ith s THR 497 Cb -0.15 -2.23 0.53 0.00 -1.51 0.00 0.00 72.50 69.14 3ith s THR 497 CO -0.07 -0.37 1.44 -0.90 -2.21 0.00 0.00 174.62 172.51 3ith n ASP 498 N -0.42 3.65 -4.29 8.08 5.75 -1.26 -1.67 116.55 126.39 3ith n ASP 498 Ca -0.07 -2.06 -0.43 0.00 -0.01 0.00 0.00 54.79 52.23 3ith n ASP 498 Cb 0.59 -0.41 -0.08 0.00 -1.03 0.00 0.00 41.12 40.20 3ith n ASP 498 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 3ith s SER 499 N -1.01 5.88 0.45 -1.12 0.15 -1.26 -4.63 113.70 112.16 3ith s SER 499 Ca 0.40 -1.64 0.17 0.00 0.70 0.00 0.00 55.95 55.58 3ith s SER 499 Cb 0.21 -2.08 1.04 0.00 -1.71 0.00 0.00 66.02 63.48 3ith s SER 499 CO 0.26 -0.67 1.97 1.56 1.20 0.00 0.00 173.24 177.56 3ith h GLN 500 N 8.60 0.00 0.00 5.44 4.20 -1.95 0.21 115.11 131.61 3ith h GLN 500 Ca -0.25 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.46 3ith h GLN 500 Cb 1.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.87 3ith h GLN 500 CO 0.87 0.21 0.00 0.98 -0.67 0.00 0.00 178.83 180.22 3ith n TYR 501 N -4.10 0.00 -0.29 2.96 9.36 -1.26 -0.46 117.16 123.36 3ith n TYR 501 Ca -0.02 0.00 0.16 0.00 3.32 0.00 0.00 57.90 61.36 3ith n TYR 501 Cb 0.28 -0.50 0.42 0.00 -0.63 0.00 0.00 39.34 38.92 3ith n TYR 501 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3ith h ALA 502 N -1.84 1.97 -0.40 2.98 0.00 -1.79 0.11 119.26 120.29 3ith h ALA 502 Ca 0.00 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 3ith h ALA 502 Cb 0.00 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3ith h ALA 502 CO 0.00 -0.29 -0.20 1.25 0.00 0.00 0.00 179.25 180.02 3ith h LEU 503 N 0.58 0.78 0.46 0.00 5.85 -0.49 -3.01 115.31 119.47 3ith h LEU 503 Ca 0.51 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.96 3ith h LEU 503 Cb 1.04 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.83 3ith h LEU 503 CO -0.26 0.96 -0.51 1.23 -0.34 0.00 0.00 178.44 179.52 3ith h GLY 504 N 0.97 -1.26 -0.09 3.75 0.00 0.19 -2.01 103.07 104.63 3ith h GLY 504 Ca 0.10 0.60 0.05 0.00 0.00 0.00 0.00 47.33 48.08 3ith h GLY 504 CO 0.05 -0.36 -0.43 -2.22 0.00 0.00 0.00 176.54 173.58 3ith h ILE 505 N -0.98 0.13 0.00 2.60 2.04 -1.55 -1.96 117.51 117.79 3ith h ILE 505 Ca -0.06 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.79 3ith h ILE 505 Cb 0.87 0.13 -0.00 0.00 -0.74 0.00 0.00 36.82 37.07 3ith h ILE 505 CO -0.09 0.00 -0.07 0.40 0.00 0.00 0.00 178.15 178.38 3ith h ILE 506 N -0.45 0.70 0.00 -0.67 1.08 -1.52 -2.15 117.51 114.51 3ith h ILE 506 Ca 0.09 -0.29 -0.01 0.00 -0.39 0.00 0.00 64.86 64.25 3ith h ILE 506 Cb 0.62 1.18 -0.00 0.00 -3.07 0.00 0.00 36.82 35.54 3ith h ILE 506 CO -0.45 0.07 -0.51 -0.61 -0.69 0.00 0.00 178.15 175.96 3ith h GLN 507 N 0.00 0.00 -0.63 2.37 5.75 -0.62 -3.15 115.11 118.83 3ith h GLN 507 Ca -0.00 0.00 -0.09 0.00 -0.15 0.00 0.00 58.65 58.41 3ith h GLN 507 Cb 0.17 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.70 3ith h GLN 507 CO 0.01 0.04 0.05 0.00 -2.65 0.00 0.00 178.83 176.28 3ith h ALA 508 N 1.95 0.89 -0.83 3.38 0.00 -0.83 -3.48 119.26 120.34 3ith h ALA 508 Ca -0.01 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3ith h ALA 508 Cb 1.05 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3ith h ALA 508 CO 0.01 0.67 0.00 0.94 0.00 0.00 0.00 179.25 180.86 3ith n GLN 509 N -4.19 0.00 -1.87 0.00 7.27 -1.19 -5.04 117.38 112.35 3ith n GLN 509 Ca 0.04 0.00 -0.36 0.00 0.07 0.00 0.00 57.00 56.74 3ith n GLN 509 Cb 0.32 -1.47 0.05 0.00 2.41 0.00 0.00 30.24 31.55 3ith n GLN 509 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 3ith s PRO 510 N -2.54 2.75 -0.00 3.69 0.04 -1.26 -4.77 135.00 132.91 3ith s PRO 510 Ca 0.00 1.95 0.04 0.00 0.04 0.00 0.00 61.00 63.03 3ith s PRO 510 Cb 0.00 -1.89 -0.06 0.00 0.04 0.00 0.00 34.50 32.60 3ith s PRO 510 CO 0.00 -1.41 0.14 -0.40 0.04 0.00 0.00 177.00 175.37 3ith n ASP 511 N -1.76 1.92 -4.15 6.66 5.68 -0.75 -4.93 116.55 119.23 3ith n ASP 511 Ca 0.15 -0.33 -0.19 0.00 -0.50 0.00 0.00 54.79 53.92 3ith n ASP 511 Cb 0.49 1.09 -0.13 0.00 -1.14 0.00 0.00 41.12 41.43 3ith n ASP 511 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 3ith s LYS 512 N -1.81 0.85 0.02 0.11 1.02 -1.12 -5.00 119.74 113.81 3ith s LYS 512 Ca 0.00 -0.85 -0.13 0.00 0.02 0.00 0.00 55.97 55.02 3ith s LYS 512 Cb 0.03 -0.85 0.02 0.00 -0.52 0.00 0.00 37.83 36.50 3ith s LYS 512 CO 0.18 0.20 0.27 0.45 -0.92 0.00 0.00 175.35 175.53 3ith s SER 513 N -1.44 -0.10 0.09 2.83 0.15 -1.26 -2.46 113.70 111.51 3ith s SER 513 Ca -0.01 -0.15 -0.30 0.00 0.70 0.00 0.00 55.95 56.19 3ith s SER 513 Cb -0.09 0.32 -0.13 0.00 -1.71 0.00 0.00 66.02 64.41 3ith s SER 513 CO 0.02 -0.54 1.63 -0.33 1.20 0.00 0.00 173.24 175.21 3ith h GLU 514 N 3.52 -0.65 -6.78 5.44 4.39 -0.96 -3.43 114.58 116.12 3ith h GLU 514 Ca -0.31 0.04 -0.52 0.00 0.34 0.00 0.00 59.36 58.91 3ith h GLU 514 Cb 1.19 0.15 0.04 0.00 -0.10 0.00 0.00 28.75 30.03 3ith h GLU 514 CO 0.44 -0.43 0.61 0.45 -1.16 0.00 0.00 179.01 178.92 3ith s SER 515 N -4.63 6.93 0.15 1.42 0.15 -1.26 -4.93 113.70 111.53 3ith s SER 515 Ca -0.16 2.48 -0.13 0.00 0.70 0.00 0.00 55.95 58.84 3ith s SER 515 Cb 0.06 -2.63 0.04 0.00 -1.71 0.00 0.00 66.02 61.78 3ith s SER 515 CO 0.63 -0.45 1.66 -0.08 1.20 0.00 0.00 173.24 176.21 3ith h GLU 516 N 4.31 0.84 -0.21 5.44 4.57 -2.01 -3.02 114.58 124.49 3ith h GLU 516 Ca -0.47 -0.21 0.06 0.00 -1.18 0.00 0.00 59.36 57.56 3ith h GLU 516 Cb 1.22 -0.11 -0.07 0.00 -0.16 0.00 0.00 28.75 29.63 3ith h GLU 516 CO 0.71 0.80 -0.24 1.25 -1.18 0.00 0.00 179.01 180.35 3ith h LEU 517 N 0.73 -0.77 -1.47 1.64 5.85 -1.96 0.43 115.31 119.77 3ith h LEU 517 Ca 0.16 0.13 0.11 0.00 0.84 0.00 0.00 57.88 59.13 3ith h LEU 517 Cb 0.35 0.36 -0.05 0.00 0.37 0.00 0.00 40.66 41.69 3ith h LEU 517 CO 0.00 -0.28 0.49 0.58 -0.34 0.00 0.00 178.44 178.89 3ith h VAL 518 N -0.26 0.89 0.00 1.05 2.07 -1.92 -0.18 116.25 117.90 3ith h VAL 518 Ca 0.13 -0.20 0.02 0.00 0.82 0.00 0.00 66.70 67.46 3ith h VAL 518 Cb 0.46 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 3ith h VAL 518 CO -0.37 0.11 -0.09 0.78 0.02 0.00 0.00 177.57 178.02 3ith h ASN 519 N 0.58 -0.25 -0.89 0.57 2.35 -0.85 0.35 115.58 117.44 3ith h ASN 519 Ca 0.35 0.04 0.13 0.00 -0.55 0.00 0.00 56.30 56.27 3ith h ASN 519 Cb 0.58 0.11 -0.09 0.00 0.05 0.00 0.00 38.32 38.97 3ith h ASN 519 CO -0.12 -0.13 0.51 1.56 -1.65 0.00 0.00 177.43 177.60 3ith h GLN 520 N -0.15 0.76 -0.34 0.81 4.20 -0.15 0.74 115.11 120.98 3ith h GLN 520 Ca 0.03 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.66 3ith h GLN 520 Cb 0.19 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 3ith h GLN 520 CO -0.09 0.50 0.07 0.82 -0.67 0.00 0.00 178.83 179.46 3ith h ILE 521 N 0.78 1.23 -0.31 2.54 2.04 -0.81 -0.65 117.51 122.33 3ith h ILE 521 Ca 0.46 -0.79 0.06 0.00 1.00 0.00 0.00 64.86 65.59 3ith h ILE 521 Cb 0.54 1.10 -0.05 0.00 -0.74 0.00 0.00 36.82 37.67 3ith h ILE 521 CO -0.30 0.27 -0.05 0.40 0.00 0.00 0.00 178.15 178.47 3ith h ILE 522 N 0.39 0.72 0.35 -0.67 1.08 0.13 0.16 117.51 119.68 3ith h ILE 522 Ca 0.10 -0.01 -0.01 0.00 -0.39 0.00 0.00 64.86 64.55 3ith h ILE 522 Cb 0.33 0.69 -0.02 0.00 -3.07 0.00 0.00 36.82 34.75 3ith h ILE 522 CO 0.00 0.01 -0.41 -0.08 -0.69 0.00 0.00 178.15 176.98 3ith h GLU 523 N 0.03 -0.74 -1.02 2.37 4.22 0.59 -2.04 114.58 117.99 3ith h GLU 523 Ca 0.15 0.05 0.25 0.00 0.08 0.00 0.00 59.36 59.88 3ith h GLU 523 Cb 0.22 0.17 -0.10 0.00 0.50 0.00 0.00 28.75 29.53 3ith h GLU 523 CO -0.29 -0.49 0.64 1.96 -2.18 0.00 0.00 179.01 178.64 3ith h GLN 524 N -0.77 0.48 -0.21 1.92 1.08 -0.87 -1.93 115.11 114.81 3ith h GLN 524 Ca -0.04 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.12 3ith h GLN 524 Cb 0.68 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.99 3ith h GLN 524 CO -0.08 0.32 0.10 -0.07 -0.95 0.00 0.00 178.83 178.15 3ith h LEU 525 N 0.50 0.27 -0.66 1.46 3.38 0.02 -2.99 115.31 117.28 3ith h LEU 525 Ca 0.60 -0.12 -0.12 0.00 0.09 0.00 0.00 57.88 58.33 3ith h LEU 525 Cb 1.33 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.99 3ith h LEU 525 CO -0.35 0.31 -0.59 -0.29 0.09 0.00 0.00 178.44 177.62 3ith h ILE 526 N 0.21 1.28 0.00 1.22 2.10 -0.91 -2.45 117.51 118.96 3ith h ILE 526 Ca 0.07 -2.12 -0.00 0.00 1.08 0.00 0.00 64.86 63.89 3ith h ILE 526 Cb 0.11 2.19 -0.00 0.00 -1.09 0.00 0.00 36.82 38.03 3ith h ILE 526 CO -0.01 0.58 -0.00 0.11 -1.08 0.00 0.00 178.15 177.74 3ith h LYS 527 N 0.00 0.00 -7.17 2.19 1.57 -1.35 -3.44 116.57 108.37 3ith h LYS 527 Ca -0.01 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 58.28 3ith h LYS 527 Cb 1.14 0.00 0.04 0.00 0.08 0.00 0.00 32.23 33.50 3ith h LYS 527 CO 0.08 0.00 0.30 0.15 -0.57 0.00 0.00 179.45 179.41 3ith s LYS 528 N -4.47 3.64 -0.16 3.15 -0.14 -0.92 -5.00 119.74 115.85 3ith s LYS 528 Ca -0.05 0.60 -0.16 0.00 -1.36 0.00 0.00 55.97 55.00 3ith s LYS 528 Cb 0.14 -2.20 -0.13 0.00 -1.68 0.00 0.00 37.83 33.96 3ith s LYS 528 CO 0.51 -0.38 0.20 0.93 -0.76 0.00 0.00 175.35 175.84 3ith h GLU 529 N 0.13 0.00 -3.43 1.68 5.08 -0.88 -3.47 114.58 113.68 3ith h GLU 529 Ca -0.45 0.00 -0.43 0.00 -1.00 0.00 0.00 59.36 57.47 3ith h GLU 529 Cb 1.19 0.00 -0.39 0.00 0.50 0.00 0.00 28.75 30.05 3ith h GLU 529 CO 0.62 0.57 -0.76 0.15 -1.00 0.00 0.00 179.01 178.60 3ith s LYS 530 N -2.16 0.30 -0.04 2.33 1.02 -0.82 -5.00 119.74 115.37 3ith s LYS 530 Ca -0.18 0.07 0.04 0.00 0.02 0.00 0.00 55.97 55.92 3ith s LYS 530 Cb 0.02 -1.19 -0.00 0.00 -0.52 0.00 0.00 37.83 36.14 3ith s LYS 530 CO 0.42 -0.44 -0.16 0.08 -0.92 0.00 0.00 175.35 174.33 3ith s VAL 531 N 2.05 1.35 -0.14 3.17 1.01 -1.26 -0.75 120.40 125.83 3ith s VAL 531 Ca 0.03 -0.67 -0.01 0.00 0.00 0.00 0.00 61.98 61.33 3ith s VAL 531 Cb -0.14 -1.17 0.04 0.00 0.00 0.00 0.00 36.38 35.12 3ith s VAL 531 CO -0.06 0.39 -0.02 -0.47 0.00 0.00 0.00 175.10 174.95 3ith s TYR 532 N 0.07 1.24 -0.17 5.22 6.14 -0.72 -0.03 117.35 129.10 3ith s TYR 532 Ca -0.04 -0.76 -0.09 0.00 0.64 0.00 0.00 57.07 56.82 3ith s TYR 532 Cb -0.11 -1.10 -0.05 0.00 0.42 0.00 0.00 41.96 41.12 3ith s TYR 532 CO 0.02 -0.53 0.12 -1.17 0.64 0.00 0.00 175.55 174.63 3ith s LEU 533 N 1.78 4.20 0.09 6.97 2.96 -1.26 -1.37 118.68 132.05 3ith s LEU 533 Ca 0.02 0.28 0.05 0.00 -0.22 0.00 0.00 54.13 54.26 3ith s LEU 533 Cb -0.15 -2.06 -0.03 0.00 0.50 0.00 0.00 46.19 44.45 3ith s LEU 533 CO -0.07 0.25 -0.14 0.00 -1.32 0.00 0.00 176.35 175.07 3ith s ALA 534 N -0.06 1.26 0.11 5.97 0.00 0.51 -4.98 121.76 124.58 3ith s ALA 534 Ca 0.10 -1.10 0.08 0.00 0.00 0.00 0.00 51.96 51.04 3ith s ALA 534 Cb -0.11 -0.08 -0.04 0.00 0.00 0.00 0.00 23.12 22.89 3ith s ALA 534 CO -0.00 0.13 -0.21 -0.46 0.00 0.00 0.00 175.76 175.22 3ith s TRP 535 N -1.62 1.84 0.01 0.00 -0.00 -1.26 0.54 118.94 118.46 3ith s TRP 535 Ca 0.02 -0.42 -0.22 0.00 -0.00 0.00 0.00 56.10 55.48 3ith s TRP 535 Cb -0.08 -1.00 0.05 0.00 -0.00 0.00 0.00 33.47 32.44 3ith s TRP 535 CO 0.02 0.23 0.50 0.14 -0.00 0.00 0.00 176.95 177.84 3ith s VAL 536 N -1.22 0.03 0.16 5.86 -7.23 -0.67 -4.90 120.40 112.44 3ith s VAL 536 Ca 0.08 -0.27 -0.31 0.00 -1.81 0.00 0.00 61.98 59.67 3ith s VAL 536 Cb -0.10 -0.91 -0.09 0.00 0.56 0.00 0.00 36.38 35.85 3ith s VAL 536 CO 0.05 -0.15 1.38 -2.16 -0.31 0.00 0.00 175.10 173.91 3ith s PRO 537 N -1.94 4.33 0.57 4.82 0.04 -1.26 -4.07 135.00 137.49 3ith s PRO 537 Ca -0.08 2.12 -0.20 0.00 0.04 0.00 0.00 61.00 62.87 3ith s PRO 537 Cb -0.01 -3.20 -0.05 0.00 0.04 0.00 0.00 34.50 31.27 3ith s PRO 537 CO 0.02 -0.38 1.19 0.00 0.04 0.00 0.00 177.00 177.86 3ith n ALA 538 N 3.29 0.92 -1.55 8.56 0.00 -1.26 -3.82 120.51 126.64 3ith n ALA 538 Ca 0.09 0.07 -0.13 0.00 0.00 0.00 0.00 53.44 53.47 3ith n ALA 538 Cb 0.42 -2.25 -0.05 0.00 0.00 0.00 0.00 19.45 17.58 3ith n ALA 538 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3ith n HIS 539 N -1.38 -0.12 0.28 0.00 8.25 -1.26 -4.84 115.22 116.16 3ith n HIS 539 Ca 0.12 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.70 3ith n HIS 539 Cb 0.46 -2.51 0.21 0.00 1.12 0.00 0.00 29.99 29.27 3ith n HIS 539 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3ith n LYS 540 N -2.55 2.48 -1.70 -0.41 4.76 -1.25 -4.95 118.16 114.55 3ith n LYS 540 Ca -0.14 -2.27 -0.13 0.00 -2.87 0.00 0.00 58.31 52.90 3ith n LYS 540 Cb 0.47 -1.50 -0.04 0.00 -1.84 0.00 0.00 35.03 32.12 3ith n LYS 540 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3ith n GLY 541 N 1.46 0.79 3.69 0.72 0.00 -1.26 -4.95 105.19 105.64 3ith n GLY 541 Ca 0.19 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 3ith n GLY 541 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ith s ILE 542 N -2.53 3.00 0.11 -0.61 1.01 -1.26 -4.84 121.20 116.08 3ith s ILE 542 Ca 0.00 0.48 -0.36 0.00 0.00 0.00 0.00 60.65 60.78 3ith s ILE 542 Cb 0.00 -3.31 -0.16 0.00 0.01 0.00 0.00 42.46 39.00 3ith s ILE 542 CO 0.00 0.00 1.41 0.61 0.00 0.00 0.00 174.94 176.96 3ith n GLY 543 N 3.97 0.67 0.00 6.18 0.00 -1.26 -2.10 105.19 112.66 3ith n GLY 543 Ca 0.16 0.68 0.00 0.00 0.00 0.00 0.00 46.02 46.86 3ith n GLY 543 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ith n GLY 544 N 2.79 1.95 0.31 -0.02 0.00 -1.26 -4.69 105.19 104.28 3ith n GLY 544 Ca 0.18 -0.67 0.15 0.00 0.00 0.00 0.00 46.02 45.68 3ith n GLY 544 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 3ith h ASN 545 N 0.00 0.18 -0.37 1.61 -0.73 -1.87 -1.38 115.58 113.02 3ith h ASN 545 Ca 0.00 0.19 -0.01 0.00 1.87 0.00 0.00 56.30 58.34 3ith h ASN 545 Cb 0.00 0.21 -0.02 0.00 0.27 0.00 0.00 38.32 38.78 3ith h ASN 545 CO 0.00 -0.11 0.17 -0.08 -0.37 0.00 0.00 177.43 177.04 3ith h GLU 546 N 0.28 0.53 0.32 6.67 4.81 -1.70 0.77 114.58 126.27 3ith h GLU 546 Ca 0.59 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.72 3ith h GLU 546 Cb 1.20 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.49 3ith h GLU 546 CO -0.62 0.48 -0.16 1.96 -0.73 0.00 0.00 179.01 179.95 3ith h GLN 547 N 0.46 -0.42 -0.86 1.92 7.50 -1.64 -2.10 115.11 119.97 3ith h GLN 547 Ca 0.13 0.03 0.15 0.00 0.50 0.00 0.00 58.65 59.46 3ith h GLN 547 Cb 0.13 0.10 -0.10 0.00 0.05 0.00 0.00 27.48 27.66 3ith h GLN 547 CO -0.02 -0.18 0.44 0.28 -1.50 0.00 0.00 178.83 177.86 3ith h VAL 548 N -0.60 0.71 0.35 -0.54 2.07 -1.13 -1.34 116.25 115.78 3ith h VAL 548 Ca -0.04 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 3ith h VAL 548 Cb 0.43 0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 30.24 3ith h VAL 548 CO 0.07 0.11 -0.20 -0.78 0.02 0.00 0.00 177.57 176.80 3ith h ASP 549 N 0.62 -0.49 -0.69 0.57 3.58 -0.71 -1.78 116.42 117.52 3ith h ASP 549 Ca 0.48 0.03 0.11 0.00 0.42 0.00 0.00 57.03 58.06 3ith h ASP 549 Cb 0.69 0.14 -0.08 0.00 1.72 0.00 0.00 39.33 41.80 3ith h ASP 549 CO -0.37 -0.33 0.29 0.50 -2.88 0.00 0.00 179.24 176.46 3ith h LYS 550 N -0.52 0.47 0.64 0.28 3.64 -1.01 -3.06 116.57 117.01 3ith h LYS 550 Ca -0.04 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.28 3ith h LYS 550 Cb 0.42 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.13 3ith h LYS 550 CO 0.05 0.31 -0.37 -0.07 -2.27 0.00 0.00 179.45 177.10 3ith h LEU 551 N 0.48 -0.93 -8.04 5.20 3.38 -0.83 -3.22 115.31 111.36 3ith h LEU 551 Ca 0.36 0.05 -0.68 0.00 0.09 0.00 0.00 57.88 57.70 3ith h LEU 551 Cb 0.46 0.27 -0.17 0.00 0.09 0.00 0.00 40.66 41.31 3ith h LEU 551 CO -0.33 -0.59 0.77 0.54 0.09 0.00 0.00 178.44 178.92 3ith s VAL 552 N -6.02 4.64 0.00 1.22 0.11 -0.71 -4.37 120.40 115.28 3ith s VAL 552 Ca -0.18 -1.32 0.00 0.00 -2.93 0.00 0.00 61.98 57.55 3ith s VAL 552 Cb 0.04 -4.76 0.00 0.00 -1.53 0.00 0.00 36.38 30.13 3ith s VAL 552 CO 0.62 -1.49 0.00 -1.20 -3.33 0.00 0.00 175.10 169.70 3ith n SER 553 N 6.80 0.00 0.00 3.54 7.64 -1.22 -4.53 113.62 125.85 3ith n SER 553 Ca 0.18 -0.05 0.00 0.00 1.01 0.00 0.00 58.87 60.01 3ith n SER 553 Cb 0.48 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 3ith n SER 553 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3ith n ALA 554 N 0.00 1.08 -0.09 -0.43 0.00 -1.26 0.15 120.51 119.96 3ith n ALA 554 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 3ith n ALA 554 Cb 0.01 -0.72 -0.12 0.00 0.00 0.00 0.00 19.45 18.62 3ith n ALA 554 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ith n GLY 555 N -0.85 -0.59 0.00 0.00 0.00 -1.26 -5.14 105.19 97.35 3ith n GLY 555 Ca 0.00 -0.10 0.15 0.00 0.00 0.00 0.00 46.02 46.07 3ith n GLY 555 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71