#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1by3 n ALA 21 N 0.00 0.12 0.59 7.33 0.00 -1.26 -0.61 120.51 126.69 1by3 n ALA 21 Ca 0.00 0.37 0.12 0.00 0.00 0.00 0.00 53.44 53.93 1by3 n ALA 21 Cb 0.00 -0.24 0.45 0.00 0.00 0.00 0.00 19.45 19.66 1by3 n ALA 21 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.50 174.83 1by3 n TRP 22 N -4.43 0.73 0.27 0.00 2.14 -1.26 -2.99 117.44 111.89 1by3 n TRP 22 Ca 0.07 0.24 -0.11 0.00 2.07 0.00 0.00 57.50 59.77 1by3 n TRP 22 Cb 0.21 -0.88 -0.05 0.00 -0.81 0.00 0.00 31.31 29.78 1by3 n TRP 22 CO 0.00 0.00 0.00 0.78 2.07 0.00 0.00 177.69 180.54 1by3 h GLY 23 N 3.75 -0.72 2.00 -1.67 0.00 -1.28 -2.80 103.07 102.35 1by3 h GLY 23 Ca 0.00 0.27 -0.06 0.00 0.00 0.00 0.00 47.33 47.54 1by3 h GLY 23 CO 0.00 -0.26 -0.30 -0.56 0.00 0.00 0.00 176.54 175.42 1by3 h PRO 24 N -0.81 0.00 -0.01 4.80 0.13 -1.74 -3.30 132.00 131.08 1by3 h PRO 24 Ca -0.07 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.06 1by3 h PRO 24 Cb 0.53 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.66 1by3 h PRO 24 CO 0.12 0.30 0.00 0.00 -0.23 0.00 0.00 178.00 178.19 1by3 h ALA 25 N 1.70 0.01 0.00 -0.56 0.00 -1.57 0.82 119.26 119.67 1by3 h ALA 25 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1by3 h ALA 25 Cb 0.76 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1by3 h ALA 25 CO 0.04 -0.41 0.00 0.00 0.00 0.00 0.00 179.25 178.88 1by3 h ALA 26 N 0.85 1.00 0.00 0.00 0.00 -1.57 0.53 119.26 120.06 1by3 h ALA 26 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1by3 h ALA 26 Cb 0.16 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1by3 h ALA 26 CO -0.00 0.00 -1.31 0.25 0.00 0.00 0.00 179.25 178.19 1by3 n THR 27 N -2.82 0.00 -0.00 0.00 -2.24 -1.08 -4.55 114.28 103.59 1by3 n THR 27 Ca -0.00 -0.15 -0.03 0.00 -2.27 0.00 0.00 64.05 61.59 1by3 n THR 27 Cb 0.21 0.34 -0.01 0.00 -2.10 0.00 0.00 70.33 68.77 1by3 n THR 27 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1by3 n ILE 28 N -1.73 1.22 -0.26 2.28 2.08 0.28 -4.59 119.36 118.64 1by3 n ILE 28 Ca -0.01 0.30 -0.05 0.00 0.56 0.00 0.00 62.75 63.55 1by3 n ILE 28 Cb 0.18 -1.82 0.06 0.00 -0.75 0.00 0.00 39.64 37.31 1by3 n ILE 28 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1by3 h ALA 29 N -0.41 0.91 0.00 -1.39 0.00 -1.52 -0.30 119.26 116.55 1by3 h ALA 29 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1by3 h ALA 29 Cb 0.35 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1by3 h ALA 29 CO 0.00 0.32 0.00 0.00 0.00 0.00 0.00 179.25 179.57 1by3 n ALA 30 N -2.30 1.41 0.22 0.00 0.00 0.17 -1.47 120.51 118.54 1by3 n ALA 30 Ca 0.07 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.62 1by3 n ALA 30 Cb 0.02 -0.94 0.07 0.00 0.00 0.00 0.00 19.45 18.60 1by3 n ALA 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1by3 h ARG 31 N 0.00 0.00 -6.27 0.00 3.08 -1.29 -3.44 114.38 106.46 1by3 h ARG 31 Ca 0.00 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.48 1by3 h ARG 31 Cb 0.00 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.01 1by3 h ARG 31 CO 0.00 0.00 -0.10 -0.65 -1.07 0.00 0.00 179.97 178.15 1by3 s GLN 32 N -3.29 3.98 0.24 0.04 -1.52 -0.54 -1.28 119.66 117.28 1by3 s GLN 32 Ca 0.02 0.49 -0.19 0.00 -1.95 0.00 0.00 55.36 53.73 1by3 s GLN 32 Cb 0.09 -3.00 0.02 0.00 -0.22 0.00 0.00 33.01 29.90 1by3 s GLN 32 CO 0.75 0.53 0.61 -1.54 -0.25 0.00 0.00 175.29 175.39 1by3 s SER 33 N -1.59 -0.27 0.00 5.90 1.04 -1.02 -4.91 113.70 112.86 1by3 s SER 33 Ca 0.35 -0.55 0.00 0.00 0.48 0.00 0.00 55.95 56.23 1by3 s SER 33 Cb -0.16 0.65 0.00 0.00 0.10 0.00 0.00 66.02 66.61 1by3 s SER 33 CO 0.19 -1.19 0.00 0.00 0.98 0.00 0.00 173.24 173.22 1by3 n ALA 34 N -0.40 0.00 0.25 5.32 0.00 -1.26 -1.31 120.51 123.10 1by3 n ALA 34 Ca -0.07 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.50 1by3 n ALA 34 Cb 0.61 0.00 0.64 0.00 0.00 0.00 0.00 19.45 20.70 1by3 n ALA 34 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1by3 h THR 35 N 0.15 0.40 0.00 0.00 2.02 -1.94 0.62 112.91 114.16 1by3 h THR 35 Ca 0.00 -0.74 -0.24 0.00 0.77 0.00 0.00 66.41 66.20 1by3 h THR 35 Cb 0.08 1.53 -0.04 0.00 -1.74 0.00 0.00 68.15 67.98 1by3 h THR 35 CO 0.00 0.13 -1.29 1.23 0.37 0.00 0.00 175.52 175.96 1by3 h GLY 36 N 1.57 0.00 0.00 2.16 0.00 -1.92 -3.41 103.07 101.47 1by3 h GLY 36 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1by3 h GLY 36 CO 0.02 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.26 1by3 n THR 37 N -3.20 0.00 0.00 4.70 -2.24 -1.18 -5.00 114.28 107.36 1by3 n THR 37 Ca -0.07 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 1by3 n THR 37 Cb 0.97 1.04 0.00 0.00 -2.10 0.00 0.00 70.33 70.24 1by3 n THR 37 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1by3 n LYS 38 N -0.48 0.00 -4.25 -0.78 5.02 0.22 -4.95 118.16 112.94 1by3 n LYS 38 Ca 0.00 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.03 1by3 n LYS 38 Cb 0.01 -2.16 -0.08 0.00 -0.02 0.00 0.00 35.03 32.78 1by3 n LYS 38 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1by3 s THR 39 N -2.15 3.50 -0.24 -0.18 -4.23 -1.26 -4.99 115.64 106.11 1by3 s THR 39 Ca 0.00 -1.63 -0.28 0.00 -1.18 0.00 0.00 61.69 58.60 1by3 s THR 39 Cb 0.00 -2.79 -0.04 0.00 1.34 0.00 0.00 72.50 71.01 1by3 s THR 39 CO 0.00 -0.19 2.00 -1.81 -0.54 0.00 0.00 174.62 174.08 1by3 s ASP 40 N -3.13 5.76 -0.02 3.99 1.01 -1.26 -4.42 116.67 118.59 1by3 s ASP 40 Ca 0.28 1.72 0.01 0.00 0.71 0.00 0.00 52.55 55.27 1by3 s ASP 40 Cb -0.08 -2.52 0.02 0.00 1.01 0.00 0.00 42.92 41.35 1by3 s ASP 40 CO 0.18 -1.75 -0.01 -0.89 0.21 0.00 0.00 175.17 172.92 1by3 s THR 41 N 7.26 0.18 0.51 -1.27 2.01 -0.43 -4.99 115.64 118.90 1by3 s THR 41 Ca 0.90 0.03 -0.21 0.00 0.31 0.00 0.00 61.69 62.73 1by3 s THR 41 Cb -0.29 -0.24 -0.07 0.00 0.01 0.00 0.00 72.50 71.91 1by3 s THR 41 CO 0.35 0.12 1.12 -2.84 -0.69 0.00 0.00 174.62 172.67 1by3 s PRO 42 N 0.69 3.55 0.33 4.92 0.02 -1.26 -2.44 135.00 140.82 1by3 s PRO 42 Ca -0.07 1.60 0.11 0.00 0.02 0.00 0.00 61.00 62.66 1by3 s PRO 42 Cb -0.10 -2.13 1.02 0.00 0.02 0.00 0.00 34.50 33.32 1by3 s PRO 42 CO -0.01 -0.68 1.61 0.82 -0.33 0.00 0.00 177.00 178.41 1by3 h ILE 43 N 1.45 0.15 0.00 2.83 1.08 -1.54 0.02 117.51 121.50 1by3 h ILE 43 Ca -0.50 -0.04 -0.03 0.00 -0.39 0.00 0.00 64.86 63.90 1by3 h ILE 43 Cb 1.25 0.01 -0.00 0.00 -3.07 0.00 0.00 36.82 35.00 1by3 h ILE 43 CO 0.58 0.02 -0.15 1.56 -0.69 0.00 0.00 178.15 179.47 1by3 h GLN 44 N 0.13 0.00 -0.41 2.37 7.50 -1.91 -2.48 115.11 120.31 1by3 h GLN 44 Ca 0.71 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.86 1by3 h GLN 44 Cb 1.65 0.00 0.00 0.00 0.05 0.00 0.00 27.48 29.18 1by3 h GLN 44 CO -0.74 0.15 0.00 1.63 -1.50 0.00 0.00 178.83 178.37 1by3 n LYS 45 N -4.09 2.11 -3.64 1.46 5.02 -0.01 -4.81 118.16 114.20 1by3 n LYS 45 Ca -0.02 -1.71 -0.38 0.00 -2.02 0.00 0.00 58.31 54.18 1by3 n LYS 45 Cb 0.23 -1.40 -0.11 0.00 -0.02 0.00 0.00 35.03 33.72 1by3 n LYS 45 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1by3 s VAL 46 N -1.45 4.93 0.00 -0.18 1.01 -0.93 -4.96 120.40 118.81 1by3 s VAL 46 Ca 0.34 -0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.26 1by3 s VAL 46 Cb 0.18 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 33.17 1by3 s VAL 46 CO 0.24 0.22 1.38 -0.81 0.00 0.00 0.00 175.10 176.13 1by3 n PRO 47 N 5.02 0.81 -3.69 2.72 -0.04 -1.26 -4.79 135.00 133.77 1by3 n PRO 47 Ca -0.14 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.22 1by3 n PRO 47 Cb 0.51 -1.09 -0.03 0.00 -0.04 0.00 0.00 33.50 32.85 1by3 n PRO 47 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1by3 s GLN 48 N 0.32 1.46 -0.18 0.54 -0.21 -1.26 -4.51 119.66 115.81 1by3 s GLN 48 Ca 0.00 -0.80 -0.29 0.00 0.02 0.00 0.00 55.36 54.28 1by3 s GLN 48 Cb 0.00 0.56 -0.00 0.00 1.00 0.00 0.00 33.01 34.57 1by3 s GLN 48 CO 0.00 -0.64 1.06 -1.12 -2.12 0.00 0.00 175.29 172.48 1by3 s SER 49 N -2.86 7.13 -0.04 5.90 0.01 -1.26 -5.02 113.70 117.56 1by3 s SER 49 Ca 0.08 1.48 -0.01 0.00 1.31 0.00 0.00 55.95 58.81 1by3 s SER 49 Cb -0.02 -2.55 0.03 0.00 0.21 0.00 0.00 66.02 63.70 1by3 s SER 49 CO -0.03 -0.61 0.09 -0.51 0.41 0.00 0.00 173.24 172.59 1by3 s ILE 50 N 2.81 -0.05 0.08 1.44 1.10 -1.26 -1.77 121.20 123.54 1by3 s ILE 50 Ca 0.47 0.19 0.10 0.00 -0.51 0.00 0.00 60.65 60.90 1by3 s ILE 50 Cb -0.17 -0.16 -0.03 0.00 0.15 0.00 0.00 42.46 42.25 1by3 s ILE 50 CO 0.11 0.08 -0.26 -0.44 -2.11 0.00 0.00 174.94 172.32 1by3 s SER 51 N 1.07 3.27 -0.03 4.50 0.01 -0.47 -4.95 113.70 117.10 1by3 s SER 51 Ca -0.09 -0.64 0.00 0.00 1.31 0.00 0.00 55.95 56.54 1by3 s SER 51 Cb -0.12 -0.29 0.03 0.00 0.21 0.00 0.00 66.02 65.85 1by3 s SER 51 CO -0.04 0.23 0.01 0.68 0.41 0.00 0.00 173.24 174.52 1by3 s VAL 52 N -0.91 0.14 -0.18 3.43 -7.23 -1.26 0.47 120.40 114.87 1by3 s VAL 52 Ca 0.13 0.11 -0.04 0.00 -1.81 0.00 0.00 61.98 60.37 1by3 s VAL 52 Cb -0.10 -0.25 -0.03 0.00 0.56 0.00 0.00 36.38 36.56 1by3 s VAL 52 CO 0.04 0.14 -0.02 -0.69 -0.31 0.00 0.00 175.10 174.26 1by3 s VAL 53 N 1.08 3.94 0.73 1.32 1.01 0.35 -4.90 120.40 123.94 1by3 s VAL 53 Ca -0.09 -0.33 -0.09 0.00 0.00 0.00 0.00 61.98 61.47 1by3 s VAL 53 Cb -0.13 -2.75 0.06 0.00 0.00 0.00 0.00 36.38 33.55 1by3 s VAL 53 CO -0.02 0.46 1.07 0.42 0.00 0.00 0.00 175.10 177.03 1by3 s THR 54 N 0.64 2.42 0.13 3.92 -4.23 -1.26 -2.31 115.64 114.94 1by3 s THR 54 Ca -0.01 -0.09 -0.12 0.00 -1.18 0.00 0.00 61.69 60.29 1by3 s THR 54 Cb -0.14 -3.08 -0.07 0.00 1.34 0.00 0.00 72.50 70.55 1by3 s THR 54 CO 0.02 -0.10 1.44 0.00 -0.54 0.00 0.00 174.62 175.45 1by3 h ALA 55 N -0.72 0.50 -0.63 3.99 0.00 -1.66 -2.09 119.26 118.65 1by3 h ALA 55 Ca -0.45 -0.45 0.13 0.00 0.00 0.00 0.00 54.91 54.13 1by3 h ALA 55 Cb 1.31 -0.10 -0.09 0.00 0.00 0.00 0.00 17.79 18.90 1by3 h ALA 55 CO 0.63 0.61 0.11 0.93 0.00 0.00 0.00 179.25 181.53 1by3 h GLU 56 N 0.65 0.23 -0.01 0.00 3.07 -1.94 1.20 114.58 117.78 1by3 h GLU 56 Ca 0.05 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 58.89 1by3 h GLU 56 Cb 0.98 -0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 28.84 1by3 h GLU 56 CO 0.09 0.15 0.01 0.93 -1.40 0.00 0.00 179.01 178.79 1by3 h GLU 57 N 0.23 0.02 -0.85 2.33 5.08 -1.85 -1.52 114.58 118.01 1by3 h GLU 57 Ca 0.34 -0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.74 1by3 h GLU 57 Cb 0.53 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.73 1by3 h GLU 57 CO -0.45 0.10 0.56 0.52 -1.00 0.00 0.00 179.01 178.74 1by3 h MET 58 N -0.07 0.97 -0.89 2.33 2.86 -0.23 -0.13 114.93 119.77 1by3 h MET 58 Ca 0.00 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1by3 h MET 58 Cb 0.09 -0.22 -0.04 0.00 0.06 0.00 0.00 31.60 31.49 1by3 h MET 58 CO -0.00 0.64 0.54 0.00 1.06 0.00 0.00 176.91 179.15 1by3 h ALA 59 N 1.52 1.28 0.45 6.32 0.00 0.18 0.31 119.26 129.32 1by3 h ALA 59 Ca 0.35 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 1by3 h ALA 59 Cb 0.11 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.55 1by3 h ALA 59 CO -0.11 0.62 -0.21 1.25 0.00 0.00 0.00 179.25 180.79 1by3 h LEU 60 N 1.22 -0.51 -0.45 0.00 5.85 -0.06 -3.30 115.31 118.07 1by3 h LEU 60 Ca 0.32 -0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.93 1by3 h LEU 60 Cb -0.06 0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.10 1by3 h LEU 60 CO -0.06 -0.20 -0.15 0.45 -0.34 0.00 0.00 178.44 178.13 1by3 h HIS 61 N -0.83 0.00 -6.18 1.25 3.86 -1.02 -3.48 115.15 108.75 1by3 h HIS 61 Ca -0.06 0.00 -0.43 0.00 -1.16 0.00 0.00 60.37 58.72 1by3 h HIS 61 Cb 0.56 0.00 0.04 0.00 1.06 0.00 0.00 27.41 29.07 1by3 h HIS 61 CO 0.00 0.15 -0.87 1.04 0.86 0.00 0.00 177.93 179.11 1by3 n GLN 62 N -3.18 -3.50 -1.84 2.45 1.13 0.11 -4.90 117.38 107.65 1by3 n GLN 62 Ca 0.02 0.54 -0.38 0.00 -1.94 0.00 0.00 57.00 55.25 1by3 n GLN 62 Cb 0.52 -4.81 0.04 0.00 0.11 0.00 0.00 30.24 26.10 1by3 n GLN 62 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 1by3 s PRO 63 N -6.03 3.05 0.30 -1.09 0.04 -1.26 -4.89 135.00 125.12 1by3 s PRO 63 Ca 0.14 2.12 0.24 0.00 0.04 0.00 0.00 61.00 63.54 1by3 s PRO 63 Cb -0.04 -2.15 0.48 0.00 0.04 0.00 0.00 34.50 32.83 1by3 s PRO 63 CO 0.84 -1.22 1.59 1.57 0.04 0.00 0.00 177.00 179.81 1by3 h LYS 64 N 1.26 0.00 -4.08 4.56 2.10 -1.94 -3.46 116.57 115.00 1by3 h LYS 64 Ca -0.51 0.00 -0.29 0.00 -2.00 0.00 0.00 60.65 57.86 1by3 h LYS 64 Cb 1.30 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 32.56 1by3 h LYS 64 CO 0.56 0.00 -0.15 -1.54 -2.00 0.00 0.00 179.45 176.33 1by3 s SER 65 N -5.32 1.01 0.32 7.07 1.04 -1.26 -4.73 113.70 111.83 1by3 s SER 65 Ca 0.08 -1.53 0.14 0.00 0.48 0.00 0.00 55.95 55.11 1by3 s SER 65 Cb 0.09 0.70 0.51 0.00 0.10 0.00 0.00 66.02 67.42 1by3 s SER 65 CO 0.66 -1.36 1.68 0.58 0.98 0.00 0.00 173.24 175.77 1by3 h VAL 66 N 2.06 1.23 0.39 5.02 2.07 -1.91 -3.27 116.25 121.85 1by3 h VAL 66 Ca -0.28 -1.83 -0.00 0.00 0.82 0.00 0.00 66.70 65.41 1by3 h VAL 66 Cb 1.24 2.02 -0.02 0.00 -1.52 0.00 0.00 31.29 33.01 1by3 h VAL 66 CO 0.39 0.50 -0.41 0.11 0.02 0.00 0.00 177.57 178.17 1by3 h LYS 67 N 0.00 -0.80 0.00 1.57 1.57 -1.93 -1.81 116.57 115.17 1by3 h LYS 67 Ca -0.01 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1by3 h LYS 67 Cb 0.98 0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.47 1by3 h LYS 67 CO 0.07 -0.53 0.00 0.93 -0.57 0.00 0.00 179.45 179.34 1by3 h GLU 68 N -0.83 0.00 0.00 3.15 3.07 -1.82 -0.92 114.58 117.22 1by3 h GLU 68 Ca -0.03 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 1by3 h GLU 68 Cb 0.74 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.65 1by3 h GLU 68 CO -0.08 0.00 0.00 0.00 -1.40 0.00 0.00 179.01 177.53 1by3 n ALA 69 N -1.80 2.29 0.33 3.43 0.00 -0.68 -2.91 120.51 121.18 1by3 n ALA 69 Ca -0.01 -0.10 0.08 0.00 0.00 0.00 0.00 53.44 53.41 1by3 n ALA 69 Cb 0.06 -1.45 0.12 0.00 0.00 0.00 0.00 19.45 18.17 1by3 n ALA 69 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1by3 n LEU 70 N -1.49 2.64 -0.37 0.00 4.77 -0.35 -4.73 117.00 117.48 1by3 n LEU 70 Ca 0.07 -1.35 0.04 0.00 -0.03 0.00 0.00 56.01 54.74 1by3 n LEU 70 Cb 0.32 -0.11 0.11 0.00 -2.33 0.00 0.00 43.42 41.41 1by3 n LEU 70 CO 0.26 0.56 0.64 0.28 -1.33 0.00 0.00 177.39 177.79 1by3 h SER 71 N 2.97 -1.09 -0.43 -1.43 0.02 -1.60 -0.98 113.55 111.02 1by3 h SER 71 Ca 0.00 0.30 -0.12 0.00 -0.84 0.00 0.00 61.79 61.13 1by3 h SER 71 Cb 0.71 0.66 -0.07 0.00 0.14 0.00 0.00 62.40 63.84 1by3 h SER 71 CO 0.00 -0.32 0.15 -1.22 -1.14 0.00 0.00 176.83 174.30 1by3 n TYR 72 N -5.58 1.42 -4.40 3.45 4.01 -1.26 -4.86 117.16 109.94 1by3 n TYR 72 Ca 0.14 -0.76 -0.30 0.00 -0.16 0.00 0.00 57.90 56.82 1by3 n TYR 72 Cb 0.47 -0.46 -0.11 0.00 -0.31 0.00 0.00 39.34 38.93 1by3 n TYR 72 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1by3 s THR 73 N -1.96 3.23 0.70 -0.72 -4.23 -0.37 -4.09 115.64 108.21 1by3 s THR 73 Ca 0.32 -1.16 -0.11 0.00 -1.18 0.00 0.00 61.69 59.56 1by3 s THR 73 Cb 0.25 -2.45 0.01 0.00 1.34 0.00 0.00 72.50 71.65 1by3 s THR 73 CO 0.08 0.23 1.07 -2.16 -0.54 0.00 0.00 174.62 173.30 1by3 s PRO 74 N -1.82 2.91 -1.11 3.99 0.04 -1.26 -4.42 135.00 133.33 1by3 s PRO 74 Ca 0.18 0.77 0.00 0.00 0.04 0.00 0.00 61.00 62.00 1by3 s PRO 74 Cb -0.11 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.43 1by3 s PRO 74 CO 0.10 -1.07 0.00 0.41 0.04 0.00 0.00 177.00 176.48 1by3 n GLY 75 N -2.34 1.17 3.05 0.56 0.00 -1.26 -5.02 105.19 101.35 1by3 n GLY 75 Ca 0.07 -0.43 -0.13 0.00 0.00 0.00 0.00 46.02 45.53 1by3 n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1by3 s VAL 76 N -2.33 -0.01 -0.49 1.61 0.11 -1.26 -1.22 120.40 116.81 1by3 s VAL 76 Ca 0.00 0.04 -0.14 0.00 -2.93 0.00 0.00 61.98 58.95 1by3 s VAL 76 Cb 0.00 -0.29 0.10 0.00 -1.53 0.00 0.00 36.38 34.66 1by3 s VAL 76 CO 0.00 0.02 0.41 -0.44 -3.33 0.00 0.00 175.10 171.76 1by3 s SER 77 N 0.40 6.06 0.00 3.54 0.01 -0.79 -4.94 113.70 117.98 1by3 s SER 77 Ca -0.02 -1.57 0.27 0.00 1.31 0.00 0.00 55.95 55.94 1by3 s SER 77 Cb -0.04 -2.15 0.90 0.00 0.21 0.00 0.00 66.02 64.94 1by3 s SER 77 CO -0.02 -0.72 1.68 1.33 0.41 0.00 0.00 173.24 175.93 1by3 n VAL 78 N 5.16 0.00 -2.27 3.43 0.24 -1.26 -3.63 118.33 120.00 1by3 n VAL 78 Ca -0.12 -0.02 -0.00 0.00 -2.04 0.00 0.00 64.34 62.16 1by3 n VAL 78 Cb 0.42 -0.07 0.08 0.00 -1.47 0.00 0.00 33.84 32.79 1by3 n VAL 78 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1by3 n GLY 79 N 1.45 3.00 0.26 7.63 0.00 -1.26 -4.65 105.19 111.63 1by3 n GLY 79 Ca 0.08 -1.27 0.06 0.00 0.00 0.00 0.00 46.02 44.88 1by3 n GLY 79 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1by3 h THR 80 N 4.47 1.08 -0.31 2.61 1.35 -1.88 -1.73 112.91 118.50 1by3 h THR 80 Ca -0.07 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 1by3 h THR 80 Cb 1.48 1.04 0.00 0.00 -1.73 0.00 0.00 68.15 68.94 1by3 h THR 80 CO 0.18 0.10 0.00 -1.14 -0.25 0.00 0.00 175.52 174.42 1by3 n ARG 81 N -4.43 2.60 0.00 4.72 3.00 -1.26 -3.95 116.66 117.34 1by3 n ARG 81 Ca -0.02 -1.47 0.00 0.00 -0.00 0.00 0.00 57.85 56.36 1by3 n ARG 81 Cb 0.15 -1.70 0.00 0.00 0.00 0.00 0.00 32.46 30.91 1by3 n ARG 81 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1by3 n GLY 82 N 0.53 2.85 0.25 5.14 0.00 -0.65 -3.03 105.19 110.28 1by3 n GLY 82 Ca 0.13 -0.25 0.08 0.00 0.00 0.00 0.00 46.02 45.98 1by3 n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1by3 h ALA 83 N -0.76 1.80 -2.84 4.61 0.00 -1.72 -3.45 119.26 116.89 1by3 h ALA 83 Ca 0.00 -0.06 -0.55 0.00 0.00 0.00 0.00 54.91 54.30 1by3 h ALA 83 Cb 0.00 -0.01 0.11 0.00 0.00 0.00 0.00 17.79 17.89 1by3 h ALA 83 CO 0.00 0.09 0.73 0.45 0.00 0.00 0.00 179.25 180.51 1by3 n SER 84 N -4.33 3.59 -0.14 0.00 2.88 -1.17 -4.91 113.62 109.54 1by3 n SER 84 Ca -0.03 1.22 0.04 0.00 -1.33 0.00 0.00 58.87 58.77 1by3 n SER 84 Cb 0.15 -1.59 0.06 0.00 -0.75 0.00 0.00 64.21 62.07 1by3 n SER 84 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1by3 n ASN 85 N 0.58 1.41 -0.30 -3.46 5.15 -1.26 -4.83 115.26 112.56 1by3 n ASN 85 Ca 0.02 -2.30 -0.01 0.00 -0.60 0.00 0.00 54.58 51.70 1by3 n ASN 85 Cb 0.38 -0.22 0.12 0.00 -0.53 0.00 0.00 39.78 39.53 1by3 n ASN 85 CO 0.00 0.00 0.00 0.74 1.40 0.00 0.00 177.26 179.40 1by3 h THR 86 N 2.00 1.07 -3.26 -0.44 2.02 -1.83 -3.44 112.91 109.03 1by3 h THR 86 Ca 0.00 -0.33 -0.42 0.00 0.77 0.00 0.00 66.41 66.43 1by3 h THR 86 Cb 0.97 0.03 -0.16 0.00 -1.74 0.00 0.00 68.15 67.25 1by3 h THR 86 CO 0.00 0.17 -0.74 -0.31 0.37 0.00 0.00 175.52 175.01 1by3 s TYR 87 N -6.08 1.52 -1.01 3.16 2.02 -1.26 -4.95 117.35 110.75 1by3 s TYR 87 Ca -0.13 -0.60 -0.01 0.00 -0.37 0.00 0.00 57.07 55.97 1by3 s TYR 87 Cb 0.17 -0.75 0.32 0.00 -0.40 0.00 0.00 41.96 41.30 1by3 s TYR 87 CO 0.79 0.23 1.78 -0.25 -1.57 0.00 0.00 175.55 176.53 1by3 n ASP 88 N 0.02 7.22 -4.71 2.29 8.00 -1.26 -5.00 116.55 123.11 1by3 n ASP 88 Ca -0.11 -3.69 -0.42 0.00 0.71 0.00 0.00 54.79 51.28 1by3 n ASP 88 Cb 0.59 -1.14 -0.03 0.00 -0.02 0.00 0.00 41.12 40.52 1by3 n ASP 88 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 1by3 s HIS 89 N -4.29 3.47 -0.02 1.24 3.76 -1.26 -4.85 115.29 113.34 1by3 s HIS 89 Ca 0.40 1.42 0.06 0.00 -0.15 0.00 0.00 55.06 56.78 1by3 s HIS 89 Cb 0.19 -3.32 -0.01 0.00 1.11 0.00 0.00 32.58 30.55 1by3 s HIS 89 CO -0.13 -0.84 -0.19 -0.51 -0.85 0.00 0.00 174.74 172.21 1by3 s LEU 90 N 1.27 2.01 -0.35 0.89 1.43 -1.26 -4.89 118.68 117.78 1by3 s LEU 90 Ca 0.56 -0.36 -0.08 0.00 -1.03 0.00 0.00 54.13 53.23 1by3 s LEU 90 Cb -0.26 -1.00 0.04 0.00 0.03 0.00 0.00 46.19 45.00 1by3 s LEU 90 CO 0.27 0.22 0.13 -0.63 0.23 0.00 0.00 176.35 176.57 1by3 s ILE 91 N -0.34 3.98 -0.19 -0.59 1.01 -1.24 -4.74 121.20 119.09 1by3 s ILE 91 Ca 0.05 -1.08 -0.07 0.00 0.00 0.00 0.00 60.65 59.55 1by3 s ILE 91 Cb -0.08 -3.25 -0.04 0.00 0.01 0.00 0.00 42.46 39.09 1by3 s ILE 91 CO 0.00 -0.20 0.06 -0.63 0.00 0.00 0.00 174.94 174.17 1by3 s ILE 92 N 1.44 4.76 -1.55 2.92 1.01 -0.80 -1.89 121.20 127.08 1by3 s ILE 92 Ca -0.01 -0.04 -0.08 0.00 0.00 0.00 0.00 60.65 60.52 1by3 s ILE 92 Cb -0.19 -3.15 0.07 0.00 0.01 0.00 0.00 42.46 39.19 1by3 s ILE 92 CO 0.04 0.45 0.54 0.54 0.00 0.00 0.00 174.94 176.50 1by3 n ARG 93 N 3.66 -3.01 -0.93 2.79 5.12 -0.36 -0.75 116.66 123.18 1by3 n ARG 93 Ca -0.16 0.36 0.00 0.00 -1.93 0.00 0.00 57.85 56.11 1by3 n ARG 93 Cb 0.52 -4.69 0.00 0.00 -1.16 0.00 0.00 32.46 27.14 1by3 n ARG 93 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1by3 n GLY 94 N -1.79 0.40 3.30 -0.13 0.00 -1.26 -4.87 105.19 100.84 1by3 n GLY 94 Ca -0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 1by3 n GLY 94 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1by3 s PHE 95 N -2.01 2.24 0.40 1.61 0.40 0.07 -5.00 117.98 115.70 1by3 s PHE 95 Ca 0.00 -0.42 0.08 0.00 -0.60 0.00 0.00 56.93 55.99 1by3 s PHE 95 Cb 0.00 -1.42 -0.05 0.00 0.51 0.00 0.00 43.02 42.06 1by3 s PHE 95 CO 0.00 -0.01 0.20 0.00 0.70 0.00 0.00 175.22 176.12 1by3 s ALA 96 N -0.63 3.64 0.64 5.36 0.00 -1.26 -1.91 121.76 127.60 1by3 s ALA 96 Ca 0.10 -2.04 -0.08 0.00 0.00 0.00 0.00 51.96 49.94 1by3 s ALA 96 Cb -0.10 -0.53 0.01 0.00 0.00 0.00 0.00 23.12 22.51 1by3 s ALA 96 CO -0.00 -0.15 0.98 0.00 0.00 0.00 0.00 175.76 176.59 1by3 s ALA 97 N -2.56 3.13 0.34 0.00 0.00 -1.26 -4.82 121.76 116.60 1by3 s ALA 97 Ca 0.42 -0.57 -0.27 0.00 0.00 0.00 0.00 51.96 51.53 1by3 s ALA 97 Cb 0.02 -2.77 -0.12 0.00 0.00 0.00 0.00 23.12 20.25 1by3 s ALA 97 CO 0.23 -0.96 1.16 -1.91 0.00 0.00 0.00 175.76 174.29 1by3 n GLU 98 N -2.77 1.78 -1.43 0.00 4.07 -1.26 -1.64 120.64 119.38 1by3 n GLU 98 Ca 0.06 0.62 -0.15 0.00 -0.06 0.00 0.00 57.16 57.63 1by3 n GLU 98 Cb 0.58 -2.14 -0.06 0.00 -0.06 0.00 0.00 31.44 29.75 1by3 n GLU 98 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1by3 n GLY 99 N 0.96 1.47 2.56 8.31 0.00 -1.26 -2.45 105.19 114.78 1by3 n GLY 99 Ca 0.07 -0.11 -0.16 0.00 0.00 0.00 0.00 46.02 45.83 1by3 n GLY 99 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1by3 n GLN 100 N -1.89 -1.53 -1.83 1.61 1.13 -0.65 -4.95 117.38 109.27 1by3 n GLN 100 Ca -0.15 1.01 -0.31 0.00 -1.94 0.00 0.00 57.00 55.61 1by3 n GLN 100 Cb 0.58 -5.37 0.01 0.00 0.11 0.00 0.00 30.24 25.58 1by3 n GLN 100 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 1by3 s SER 101 N -2.49 6.12 1.03 1.08 0.01 -1.03 -4.90 113.70 113.53 1by3 s SER 101 Ca 0.00 1.45 -0.12 0.00 1.31 0.00 0.00 55.95 58.58 1by3 s SER 101 Cb 0.00 -2.47 0.21 0.00 0.21 0.00 0.00 66.02 63.96 1by3 s SER 101 CO 0.00 -0.94 1.07 -1.10 0.41 0.00 0.00 173.24 172.68 1by3 s GLN 102 N -5.16 0.14 -0.39 12.44 -0.21 -1.26 -4.18 119.66 121.05 1by3 s GLN 102 Ca 0.55 0.80 0.10 0.00 0.02 0.00 0.00 55.36 56.84 1by3 s GLN 102 Cb -0.11 -1.68 0.30 0.00 1.00 0.00 0.00 33.01 32.51 1by3 s GLN 102 CO 0.54 -3.00 0.66 -1.71 -2.12 0.00 0.00 175.29 169.66 1by3 n ASN 103 N -4.40 0.26 -4.37 5.90 5.15 -1.26 -4.92 115.26 111.61 1by3 n ASN 103 Ca 0.05 -2.90 -0.30 0.00 -0.60 0.00 0.00 54.58 50.83 1by3 n ASN 103 Cb 0.55 -0.43 -0.14 0.00 -0.53 0.00 0.00 39.78 39.22 1by3 n ASN 103 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 1by3 s ASN 104 N -1.78 3.34 0.10 1.20 0.01 -1.26 -2.53 114.94 114.01 1by3 s ASN 104 Ca 0.37 -0.53 0.09 0.00 -0.71 0.00 0.00 52.86 52.08 1by3 s ASN 104 Cb 0.26 -0.39 -0.04 0.00 0.41 0.00 0.00 41.25 41.50 1by3 s ASN 104 CO -0.10 0.27 -0.23 -0.31 -1.51 0.00 0.00 177.10 175.22 1by3 s TYR 105 N -0.82 2.42 0.00 2.20 1.51 0.40 -1.60 117.35 121.46 1by3 s TYR 105 Ca 0.12 -0.33 0.00 0.00 -1.01 0.00 0.00 57.07 55.85 1by3 s TYR 105 Cb -0.10 -1.34 0.00 0.00 -0.11 0.00 0.00 41.96 40.41 1by3 s TYR 105 CO 0.03 0.30 0.00 -0.11 -1.11 0.00 0.00 175.55 174.66 1by3 n LEU 106 N 1.14 0.00 -3.64 -1.29 0.00 0.13 -0.55 117.00 112.78 1by3 n LEU 106 Ca -0.17 0.00 -0.38 0.00 0.00 0.00 0.00 56.01 55.46 1by3 n LEU 106 Cb 0.53 0.00 -0.01 0.00 0.00 0.00 0.00 43.42 43.94 1by3 n LEU 106 CO 0.25 0.00 0.96 0.59 0.00 0.00 0.00 177.39 179.19 1by3 n ASN 107 N 0.00 6.12 0.00 1.96 3.02 -1.24 -2.86 115.26 122.26 1by3 n ASN 107 Ca 0.00 -3.56 0.00 0.00 -0.03 0.00 0.00 54.58 50.99 1by3 n ASN 107 Cb 0.00 -1.05 0.00 0.00 -0.61 0.00 0.00 39.78 38.12 1by3 n ASN 107 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1by3 n GLY 108 N 0.54 0.86 3.21 7.41 0.00 -1.26 -4.99 105.19 110.96 1by3 n GLY 108 Ca 0.35 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.10 1by3 n GLY 108 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1by3 s LEU 109 N 0.00 2.03 0.12 0.99 1.43 -1.26 -5.03 118.68 116.95 1by3 s LEU 109 Ca 0.00 -0.37 -0.30 0.00 -1.03 0.00 0.00 54.13 52.43 1by3 s LEU 109 Cb 0.00 -1.04 -0.06 0.00 0.03 0.00 0.00 46.19 45.12 1by3 s LEU 109 CO 0.00 0.24 1.11 -0.75 0.23 0.00 0.00 176.35 177.19 1by3 s LYS 110 N -0.45 4.54 -1.28 1.70 2.20 -1.26 0.17 119.74 125.36 1by3 s LYS 110 Ca 0.07 1.69 -0.17 0.00 -0.36 0.00 0.00 55.97 57.20 1by3 s LYS 110 Cb -0.08 -3.32 0.09 0.00 -1.51 0.00 0.00 37.83 33.01 1by3 s LYS 110 CO -0.01 -0.05 1.67 1.28 -0.36 0.00 0.00 175.35 177.89 1by3 n LEU 111 N 3.07 5.03 -4.65 5.43 4.77 -0.63 -4.87 117.00 125.16 1by3 n LEU 111 Ca 0.05 -4.05 -0.42 0.00 -0.03 0.00 0.00 56.01 51.55 1by3 n LEU 111 Cb 0.47 -1.72 -0.03 0.00 -2.33 0.00 0.00 43.42 39.81 1by3 n LEU 111 CO 0.54 0.30 1.42 -1.58 -1.33 0.00 0.00 177.39 176.74 1by3 s GLN 112 N 3.57 4.08 0.00 3.23 2.00 -1.26 -4.76 119.66 126.52 1by3 s GLN 112 Ca 0.51 2.16 0.00 0.00 -2.00 0.00 0.00 55.36 56.03 1by3 s GLN 112 Cb 0.03 -4.03 0.00 0.00 0.80 0.00 0.00 33.01 29.81 1by3 s GLN 112 CO 0.06 -0.97 0.00 0.41 -0.50 0.00 0.00 175.29 174.29 1by3 n GLY 113 N 4.31 3.51 3.64 2.59 0.00 -1.26 -4.96 105.19 113.03 1by3 n GLY 113 Ca 0.18 -2.14 -0.03 0.00 0.00 0.00 0.00 46.02 44.03 1by3 n GLY 113 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1by3 s ASN 114 N -0.78 -0.31 0.85 1.61 2.47 -0.11 -5.01 114.94 113.66 1by3 s ASN 114 Ca 0.00 0.53 0.00 0.00 0.42 0.00 0.00 52.86 53.81 1by3 s ASN 114 Cb 0.00 0.85 0.00 0.00 -1.45 0.00 0.00 41.25 40.65 1by3 s ASN 114 CO 0.00 -0.09 0.00 0.33 -3.72 0.00 0.00 177.10 173.62 1by3 n PHE 115 N 2.74 0.00 0.50 0.43 7.35 -1.26 -0.13 117.46 127.09 1by3 n PHE 115 Ca -0.15 0.00 0.12 0.00 -0.76 0.00 0.00 57.45 56.66 1by3 n PHE 115 Cb 0.57 0.01 0.46 0.00 0.35 0.00 0.00 39.48 40.87 1by3 n PHE 115 CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 1by3 n TYR 116 N 14.00 0.70 -2.36 -5.13 4.01 -1.26 -4.58 117.16 122.54 1by3 n TYR 116 Ca 0.00 0.25 -0.35 0.00 -0.16 0.00 0.00 57.90 57.64 1by3 n TYR 116 Cb 0.00 -0.90 -0.04 0.00 -0.31 0.00 0.00 39.34 38.09 1by3 n TYR 116 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1by3 s ASN 117 N -4.10 5.97 -0.09 7.72 3.04 0.81 -4.91 114.94 123.39 1by3 s ASN 117 Ca 0.07 -1.20 -0.00 0.00 0.04 0.00 0.00 52.86 51.76 1by3 s ASN 117 Cb 0.11 -2.57 0.02 0.00 -1.54 0.00 0.00 41.25 37.27 1by3 s ASN 117 CO 0.44 -2.00 -0.05 -1.81 -3.04 0.00 0.00 177.10 170.64 1by3 s ASP 118 N 6.13 1.78 0.57 -4.21 1.01 -1.26 -0.94 116.67 119.76 1by3 s ASP 118 Ca 0.56 -0.20 -0.15 0.00 0.71 0.00 0.00 52.55 53.47 1by3 s ASP 118 Cb -0.02 -0.65 -0.05 0.00 1.01 0.00 0.00 42.92 43.21 1by3 s ASP 118 CO -0.05 -0.12 1.02 0.00 0.21 0.00 0.00 175.17 176.23 1by3 s ALA 119 N 1.61 2.93 0.02 5.23 0.00 -1.26 -5.01 121.76 125.27 1by3 s ALA 119 Ca 0.01 0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.17 1by3 s ALA 119 Cb -0.13 -3.16 -0.02 0.00 0.00 0.00 0.00 23.12 19.82 1by3 s ALA 119 CO -0.05 -0.59 -0.03 0.54 0.00 0.00 0.00 175.76 175.63 1by3 s VAL 120 N -2.69 0.13 -0.10 0.00 0.11 -1.26 -4.86 120.40 111.72 1by3 s VAL 120 Ca 0.60 -0.87 0.01 0.00 -2.93 0.00 0.00 61.98 58.79 1by3 s VAL 120 Cb -0.12 -0.26 0.02 0.00 -1.53 0.00 0.00 36.38 34.48 1by3 s VAL 120 CO 0.39 -0.47 -0.11 -0.63 -3.33 0.00 0.00 175.10 170.95 1by3 s ILE 121 N -1.38 1.22 0.40 7.04 -1.09 -1.26 -5.07 121.20 121.06 1by3 s ILE 121 Ca -0.15 -0.46 -0.27 0.00 -2.23 0.00 0.00 60.65 57.54 1by3 s ILE 121 Cb -0.09 -1.17 -0.10 0.00 -1.58 0.00 0.00 42.46 39.52 1by3 s ILE 121 CO -0.01 0.39 1.40 -0.62 -1.23 0.00 0.00 174.94 174.88 1by3 s ASP 122 N 1.23 6.27 0.55 3.58 -1.08 -1.26 -4.68 116.67 121.28 1by3 s ASP 122 Ca -0.03 2.88 0.27 0.00 -0.52 0.00 0.00 52.55 55.15 1by3 s ASP 122 Cb -0.14 -2.66 1.60 0.00 -1.46 0.00 0.00 42.92 40.27 1by3 s ASP 122 CO -0.04 -0.90 2.17 1.55 0.52 0.00 0.00 175.17 178.46 1by3 h PRO 123 N 2.80 0.00 0.00 4.34 0.13 -1.88 -2.43 132.00 134.97 1by3 h PRO 123 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1by3 h PRO 123 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1by3 h PRO 123 CO 0.63 0.06 0.00 0.98 -0.23 0.00 0.00 178.00 179.44 1by3 n TYR 124 N -3.84 0.00 0.69 1.56 9.36 -1.26 -1.71 117.16 121.96 1by3 n TYR 124 Ca -0.03 0.00 0.08 0.00 3.32 0.00 0.00 57.90 61.27 1by3 n TYR 124 Cb 0.15 -0.18 0.01 0.00 -0.63 0.00 0.00 39.34 38.69 1by3 n TYR 124 CO 0.00 0.00 0.00 -1.33 0.22 0.00 0.00 176.86 175.75 1by3 n MET 125 N -1.18 1.64 -3.68 2.98 2.81 -0.91 -5.00 117.12 113.77 1by3 n MET 125 Ca 0.10 -0.91 -0.32 0.00 -1.81 0.00 0.00 57.70 54.76 1by3 n MET 125 Cb 0.11 -1.27 -0.05 0.00 -0.71 0.00 0.00 33.22 31.30 1by3 n MET 125 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1by3 s LEU 126 N -1.88 4.29 -0.19 4.03 1.43 -0.69 -2.10 118.68 123.56 1by3 s LEU 126 Ca 0.14 0.60 0.05 0.00 -1.03 0.00 0.00 54.13 53.88 1by3 s LEU 126 Cb 0.13 -3.21 -0.15 0.00 0.03 0.00 0.00 46.19 42.99 1by3 s LEU 126 CO 0.36 0.09 -0.12 1.21 0.23 0.00 0.00 176.35 178.11 1by3 n GLU 127 N 0.27 0.73 -4.12 1.70 4.07 0.29 -4.72 120.64 118.86 1by3 n GLU 127 Ca -0.04 0.09 -0.11 0.00 -0.06 0.00 0.00 57.16 57.04 1by3 n GLU 127 Cb 0.52 -1.40 -0.09 0.00 -0.06 0.00 0.00 31.44 30.41 1by3 n GLU 127 CO 0.00 0.00 0.00 0.50 -0.06 0.00 0.00 177.13 177.57 1by3 s ARG 128 N -2.40 1.20 -0.26 5.31 3.52 -1.13 -1.79 118.95 123.40 1by3 s ARG 128 Ca -0.23 -1.46 -0.03 0.00 -0.13 0.00 0.00 55.73 53.89 1by3 s ARG 128 Cb 0.06 0.31 0.15 0.00 -1.56 0.00 0.00 34.95 33.92 1by3 s ARG 128 CO 0.51 -0.41 0.48 0.00 -0.81 0.00 0.00 175.30 175.06 1by3 s ALA 129 N -4.09 -1.58 -0.02 6.12 0.00 -0.98 -2.07 121.76 119.16 1by3 s ALA 129 Ca 0.30 1.38 0.06 0.00 0.00 0.00 0.00 51.96 53.70 1by3 s ALA 129 Cb 0.05 -1.83 -0.03 0.00 0.00 0.00 0.00 23.12 21.32 1by3 s ALA 129 CO 0.08 -1.23 -0.18 -1.21 0.00 0.00 0.00 175.76 173.22 1by3 s GLU 130 N 2.69 2.27 -0.09 0.00 2.02 -0.67 -0.49 118.70 124.43 1by3 s GLU 130 Ca 0.14 -0.84 0.01 0.00 0.02 0.00 0.00 54.97 54.30 1by3 s GLU 130 Cb -0.15 -2.23 0.02 0.00 0.10 0.00 0.00 34.13 31.87 1by3 s GLU 130 CO -0.18 0.58 -0.11 -1.50 0.02 0.00 0.00 175.26 174.08 1by3 s ILE 131 N -0.76 1.13 0.03 -1.63 2.07 0.18 -1.34 121.20 120.88 1by3 s ILE 131 Ca 0.12 -0.42 -0.13 0.00 -1.41 0.00 0.00 60.65 58.81 1by3 s ILE 131 Cb -0.10 -1.07 -0.06 0.00 0.13 0.00 0.00 42.46 41.36 1by3 s ILE 131 CO 0.01 0.37 0.41 -0.04 -1.91 0.00 0.00 174.94 173.78 1by3 s MET 132 N 1.10 3.87 -0.07 3.50 -1.94 -0.46 -1.36 119.30 123.92 1by3 s MET 132 Ca -0.06 0.34 0.03 0.00 -1.71 0.00 0.00 55.69 54.29 1by3 s MET 132 Cb -0.14 -3.13 -0.02 0.00 2.01 0.00 0.00 34.83 33.55 1by3 s MET 132 CO -0.02 0.64 -0.17 1.03 -0.01 0.00 0.00 175.02 176.49 1by3 s ARG 133 N -1.39 2.77 0.04 2.03 0.52 -0.73 -2.15 118.95 120.04 1by3 s ARG 133 Ca 0.27 -0.75 0.00 0.00 -0.52 0.00 0.00 55.73 54.73 1by3 s ARG 133 Cb -0.16 -2.39 0.00 0.00 0.52 0.00 0.00 34.95 32.93 1by3 s ARG 133 CO 0.15 0.43 0.00 0.41 0.02 0.00 0.00 175.30 176.31 1by3 n GLY 134 N 2.85 -3.19 3.77 -3.53 0.00 0.13 -4.46 105.19 100.75 1by3 n GLY 134 Ca -0.17 -1.81 -0.37 0.00 0.00 0.00 0.00 46.02 43.66 1by3 n GLY 134 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1by3 s PRO 135 N -0.93 3.61 0.00 1.61 0.02 -0.92 -3.27 135.00 135.13 1by3 s PRO 135 Ca 0.00 1.90 0.03 0.00 0.02 0.00 0.00 61.00 62.96 1by3 s PRO 135 Cb 0.00 -2.38 0.05 0.00 0.02 0.00 0.00 34.50 32.19 1by3 s PRO 135 CO 0.00 -0.71 0.90 1.33 -0.33 0.00 0.00 177.00 178.19 1by3 n VAL 136 N -0.60 0.00 0.24 3.83 0.24 -1.26 -4.74 118.33 116.05 1by3 n VAL 136 Ca 0.08 -0.12 0.16 0.00 -2.04 0.00 0.00 64.34 62.42 1by3 n VAL 136 Cb 0.47 0.44 0.87 0.00 -1.47 0.00 0.00 33.84 34.15 1by3 n VAL 136 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1by3 h SER 137 N 0.12 0.00 -0.99 -1.34 0.02 -1.71 -1.64 113.55 108.01 1by3 h SER 137 Ca -0.36 0.00 0.23 0.00 -0.84 0.00 0.00 61.79 60.82 1by3 h SER 137 Cb 1.37 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 63.82 1by3 h SER 137 CO -0.16 0.00 0.63 0.58 -1.14 0.00 0.00 176.83 176.74 1by3 h VAL 138 N 0.00 0.61 0.00 2.27 2.07 -1.85 -0.06 116.25 119.30 1by3 h VAL 138 Ca 0.00 -0.17 -0.04 0.00 0.82 0.00 0.00 66.70 67.31 1by3 h VAL 138 Cb 0.02 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 29.84 1by3 h VAL 138 CO 0.00 0.09 -1.54 0.18 0.02 0.00 0.00 177.57 176.32 1by3 n LEU 139 N -4.64 0.00 0.00 2.57 4.32 -0.64 -4.40 117.00 114.21 1by3 n LEU 139 Ca 0.23 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.22 1by3 n LEU 139 Cb 0.75 0.06 0.00 0.00 -1.62 0.00 0.00 43.42 42.61 1by3 n LEU 139 CO 0.25 0.06 0.37 -1.22 -1.22 0.00 0.00 177.39 175.63 1by3 n TYR 140 N -1.99 0.00 -4.14 -1.77 4.01 -1.05 -5.09 117.16 107.13 1by3 n TYR 140 Ca -0.05 -0.27 0.00 0.00 -0.16 0.00 0.00 57.90 57.42 1by3 n TYR 140 Cb 0.41 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.41 1by3 n TYR 140 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1by3 n GLY 141 N -0.27 -1.01 3.67 2.72 0.00 -0.06 -4.84 105.19 105.41 1by3 n GLY 141 Ca 0.00 -1.21 -0.56 0.00 0.00 0.00 0.00 46.02 44.24 1by3 n GLY 141 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1by3 n LYS 142 N 0.00 1.08 -3.94 1.61 2.85 -1.26 -4.12 118.16 114.39 1by3 n LYS 142 Ca 0.00 0.40 -0.09 0.00 -1.05 0.00 0.00 58.31 57.56 1by3 n LYS 142 Cb 0.00 -2.06 -0.07 0.00 -0.65 0.00 0.00 35.03 32.26 1by3 n LYS 142 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1by3 s SER 143 N 2.60 0.02 0.28 -5.58 0.15 -0.68 -5.00 113.70 105.49 1by3 s SER 143 Ca 0.95 -0.82 -0.29 0.00 0.70 0.00 0.00 55.95 56.48 1by3 s SER 143 Cb -1.06 0.44 -0.09 0.00 -1.71 0.00 0.00 66.02 63.60 1by3 s SER 143 CO 0.61 -0.90 1.01 -0.55 1.20 0.00 0.00 173.24 174.61 1by3 s SER 144 N -2.95 7.38 0.23 5.45 0.15 -1.26 -4.11 113.70 118.58 1by3 s SER 144 Ca 0.16 2.07 -0.10 0.00 0.70 0.00 0.00 55.95 58.78 1by3 s SER 144 Cb 0.03 -2.61 0.34 0.00 -1.71 0.00 0.00 66.02 62.07 1by3 s SER 144 CO -0.01 -0.05 1.64 -0.65 1.20 0.00 0.00 173.24 175.38 1by3 h PRO 145 N 3.73 0.08 -0.59 5.44 0.11 -1.91 -2.69 132.00 136.18 1by3 h PRO 145 Ca -0.46 -0.01 0.09 0.00 0.11 0.00 0.00 66.00 65.74 1by3 h PRO 145 Cb 1.20 -0.02 -0.04 0.00 0.11 0.00 0.00 31.00 32.26 1by3 h PRO 145 CO 0.67 0.06 0.39 0.78 -0.21 0.00 0.00 178.00 179.69 1by3 h GLY 146 N 0.09 0.57 0.00 -0.55 0.00 -1.83 -2.44 103.07 98.91 1by3 h GLY 146 Ca 0.35 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.51 1by3 h GLY 146 CO -0.61 0.11 0.00 0.61 0.00 0.00 0.00 176.54 176.65 1by3 n GLY 147 N -1.52 1.00 3.30 4.60 0.00 -1.02 0.22 105.19 111.78 1by3 n GLY 147 Ca 0.09 -1.91 -0.11 0.00 0.00 0.00 0.00 46.02 44.10 1by3 n GLY 147 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1by3 s LEU 148 N 0.00 0.55 -0.02 0.99 0.05 -0.91 -4.52 118.68 114.82 1by3 s LEU 148 Ca 0.00 -0.28 0.01 0.00 0.05 0.00 0.00 54.13 53.92 1by3 s LEU 148 Cb 0.00 1.69 -0.03 0.00 -2.05 0.00 0.00 46.19 45.80 1by3 s LEU 148 CO 0.00 -0.78 -0.01 -0.22 -0.55 0.00 0.00 176.35 174.78 1by3 s LEU 149 N -2.58 3.44 -0.08 1.48 2.96 -1.05 -1.35 118.68 121.50 1by3 s LEU 149 Ca 0.01 -0.01 -0.02 0.00 -0.22 0.00 0.00 54.13 53.89 1by3 s LEU 149 Cb 0.01 -1.94 0.03 0.00 0.50 0.00 0.00 46.19 44.80 1by3 s LEU 149 CO -0.09 0.30 0.01 0.21 -1.32 0.00 0.00 176.35 175.46 1by3 s ASN 150 N -1.40 1.63 -0.19 3.68 3.04 -0.45 -0.46 114.94 120.80 1by3 s ASN 150 Ca 0.18 -0.12 -0.08 0.00 0.04 0.00 0.00 52.86 52.88 1by3 s ASN 150 Cb -0.11 -0.42 -0.04 0.00 -1.54 0.00 0.00 41.25 39.13 1by3 s ASN 150 CO 0.08 -0.21 0.09 -0.04 -3.04 0.00 0.00 177.10 173.98 1by3 s MET 151 N 1.98 4.02 -0.24 0.43 -1.94 0.29 -1.67 119.30 122.17 1by3 s MET 151 Ca 0.05 -0.30 -0.12 0.00 -1.71 0.00 0.00 55.69 53.61 1by3 s MET 151 Cb -0.13 -3.28 -0.05 0.00 2.01 0.00 0.00 34.83 33.39 1by3 s MET 151 CO -0.05 0.30 0.23 0.08 -0.01 0.00 0.00 175.02 175.57 1by3 s VAL 152 N 0.31 5.30 0.65 -6.03 1.01 -0.88 -3.69 120.40 117.08 1by3 s VAL 152 Ca 0.05 0.33 -0.16 0.00 0.00 0.00 0.00 61.98 62.20 1by3 s VAL 152 Cb -0.12 -3.57 -0.01 0.00 0.00 0.00 0.00 36.38 32.68 1by3 s VAL 152 CO -0.01 0.29 1.12 -0.44 0.00 0.00 0.00 175.10 176.07 1by3 s SER 153 N 1.21 5.12 0.19 3.32 0.01 -1.26 -0.54 113.70 121.75 1by3 s SER 153 Ca 0.11 2.05 -0.30 0.00 1.31 0.00 0.00 55.95 59.11 1by3 s SER 153 Cb -0.14 -2.56 -0.09 0.00 0.21 0.00 0.00 66.02 63.44 1by3 s SER 153 CO 0.07 -1.62 1.34 -0.54 0.41 0.00 0.00 173.24 172.89 1by3 s LYS 154 N -3.97 4.36 0.28 12.44 1.02 -0.89 -4.40 119.74 128.57 1by3 s LYS 154 Ca 0.68 2.08 0.08 0.00 0.02 0.00 0.00 55.97 58.84 1by3 s LYS 154 Cb -0.22 -3.20 -0.04 0.00 -0.52 0.00 0.00 37.83 33.86 1by3 s LYS 154 CO 0.40 -0.31 0.16 1.03 -0.92 0.00 0.00 175.35 175.71 1by3 s ARG 155 N 0.11 2.67 0.23 1.68 1.81 -1.26 -4.97 118.95 119.23 1by3 s ARG 155 Ca 0.59 -1.24 -0.31 0.00 -1.72 0.00 0.00 55.73 53.05 1by3 s ARG 155 Cb -0.37 -2.40 -0.10 0.00 -0.45 0.00 0.00 34.95 31.62 1by3 s ARG 155 CO 0.37 0.31 1.52 -2.14 -0.68 0.00 0.00 175.30 174.68 1by3 s PRO 156 N -3.83 4.21 0.18 3.54 0.02 -1.26 -4.95 135.00 132.91 1by3 s PRO 156 Ca 0.34 2.40 -0.14 0.00 0.02 0.00 0.00 61.00 63.62 1by3 s PRO 156 Cb -0.07 -3.10 -0.07 0.00 0.02 0.00 0.00 34.50 31.28 1by3 s PRO 156 CO 0.24 -0.54 0.57 0.95 -0.33 0.00 0.00 177.00 177.89 1by3 s THR 157 N 0.37 4.84 -2.36 0.99 -4.23 -1.26 -4.95 115.64 109.03 1by3 s THR 157 Ca 0.64 0.80 0.28 0.00 -1.18 0.00 0.00 61.69 62.23 1by3 s THR 157 Cb -0.44 -3.71 0.62 0.00 1.34 0.00 0.00 72.50 70.31 1by3 s THR 157 CO 0.40 0.15 1.83 1.07 -0.54 0.00 0.00 174.62 177.54 1by3 n THR 158 N 0.54 0.02 -4.12 3.99 5.66 -1.26 -4.26 114.28 114.85 1by3 n THR 158 Ca -0.03 -0.20 -0.34 0.00 -3.05 0.00 0.00 64.05 60.43 1by3 n THR 158 Cb 0.52 0.25 -0.15 0.00 -1.55 0.00 0.00 70.33 69.40 1by3 n THR 158 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 1by3 s GLU 159 N -1.98 3.28 0.38 1.09 8.01 -1.26 -4.80 118.70 123.42 1by3 s GLU 159 Ca 0.39 -0.69 -0.24 0.00 0.01 0.00 0.00 54.97 54.45 1by3 s GLU 159 Cb 0.21 -2.83 -0.13 0.00 -4.31 0.00 0.00 34.13 27.07 1by3 s GLU 159 CO 0.33 -0.13 0.60 -0.35 0.01 0.00 0.00 175.26 175.73 1by3 n PRO 160 N 4.52 0.62 -3.69 0.39 -0.04 -1.26 -4.81 135.00 130.73 1by3 n PRO 160 Ca -0.19 0.23 -0.15 0.00 -0.04 0.00 0.00 63.50 63.35 1by3 n PRO 160 Cb 0.51 -1.51 -0.14 0.00 -0.04 0.00 0.00 33.50 32.32 1by3 n PRO 160 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1by3 s LEU 161 N 1.71 0.10 -0.26 1.53 2.96 -0.37 -4.99 118.68 119.36 1by3 s LEU 161 Ca 0.63 0.42 -0.02 0.00 -0.22 0.00 0.00 54.13 54.93 1by3 s LEU 161 Cb -0.64 0.47 0.08 0.00 0.50 0.00 0.00 46.19 46.60 1by3 s LEU 161 CO 0.58 -0.21 0.08 -0.54 -1.32 0.00 0.00 176.35 174.94 1by3 s LYS 162 N 1.94 0.54 -0.02 1.98 1.02 -1.26 -0.72 119.74 123.22 1by3 s LYS 162 Ca -0.02 -0.68 0.03 0.00 0.02 0.00 0.00 55.97 55.32 1by3 s LYS 162 Cb -0.12 -1.82 -0.00 0.00 -0.52 0.00 0.00 37.83 35.37 1by3 s LYS 162 CO -0.07 -0.87 -0.10 -2.00 -0.92 0.00 0.00 175.35 171.40 1by3 s GLU 163 N 1.84 0.96 0.01 1.68 2.12 -0.57 -0.57 118.70 124.17 1by3 s GLU 163 Ca 0.06 -0.34 0.06 0.00 0.36 0.00 0.00 54.97 55.11 1by3 s GLU 163 Cb -0.17 -0.90 -0.02 0.00 0.26 0.00 0.00 34.13 33.31 1by3 s GLU 163 CO -0.22 0.15 -0.17 0.08 -0.54 0.00 0.00 175.26 174.56 1by3 s VAL 164 N 0.06 1.38 -0.01 3.70 1.01 -0.05 -1.31 120.40 125.17 1by3 s VAL 164 Ca -0.01 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.09 1by3 s VAL 164 Cb -0.07 -1.18 0.00 0.00 0.00 0.00 0.00 36.38 35.13 1by3 s VAL 164 CO 0.00 0.27 -0.03 -1.58 0.00 0.00 0.00 175.10 173.76 1by3 s GLN 165 N -0.72 0.28 -0.09 2.72 0.74 0.70 -0.52 119.66 122.77 1by3 s GLN 165 Ca 0.06 -0.09 0.04 0.00 0.05 0.00 0.00 55.36 55.42 1by3 s GLN 165 Cb -0.07 -0.30 0.00 0.00 1.10 0.00 0.00 33.01 33.74 1by3 s GLN 165 CO 0.00 0.04 -0.21 -0.06 -0.55 0.00 0.00 175.29 174.51 1by3 s PHE 166 N 0.10 2.27 0.03 1.67 0.08 0.16 -1.19 117.98 121.09 1by3 s PHE 166 Ca -0.01 -0.91 0.07 0.00 0.12 0.00 0.00 56.93 56.20 1by3 s PHE 166 Cb -0.03 -1.54 -0.02 0.00 -0.57 0.00 0.00 43.02 40.85 1by3 s PHE 166 CO -0.00 -0.38 -0.21 0.15 -0.10 0.00 0.00 175.22 174.68 1by3 s LYS 167 N 0.41 1.50 -0.21 0.44 1.02 0.11 -0.29 119.74 122.72 1by3 s LYS 167 Ca -0.18 -0.90 -0.19 0.00 0.02 0.00 0.00 55.97 54.72 1by3 s LYS 167 Cb -0.17 -1.58 0.06 0.00 -0.52 0.00 0.00 37.83 35.62 1by3 s LYS 167 CO 0.08 0.41 0.57 0.00 -0.92 0.00 0.00 175.35 175.48 1by3 s ALA 168 N -0.72 -1.41 -0.02 5.17 0.00 -0.35 -1.61 121.76 122.82 1by3 s ALA 168 Ca 0.08 1.63 -0.10 0.00 0.00 0.00 0.00 51.96 53.57 1by3 s ALA 168 Cb -0.09 -0.95 0.03 0.00 0.00 0.00 0.00 23.12 22.12 1by3 s ALA 168 CO 0.01 -0.27 0.44 0.41 0.00 0.00 0.00 175.76 176.35 1by3 n GLY 169 N 2.88 0.38 2.55 0.00 0.00 -0.63 0.76 105.19 111.12 1by3 n GLY 169 Ca -0.14 -0.88 -0.31 0.00 0.00 0.00 0.00 46.02 44.68 1by3 n GLY 169 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1by3 n THR 170 N -0.32 0.12 -2.53 2.61 -1.04 -0.27 -1.41 114.28 111.43 1by3 n THR 170 Ca 0.02 -0.39 -0.19 0.00 -2.04 0.00 0.00 64.05 61.44 1by3 n THR 170 Cb 0.19 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.70 1by3 n THR 170 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1by3 n ASP 171 N 1.93 -5.58 -3.22 8.00 8.00 -1.26 -2.53 116.55 121.88 1by3 n ASP 171 Ca 0.07 -0.09 -0.23 0.00 0.71 0.00 0.00 54.79 55.25 1by3 n ASP 171 Cb 0.35 -4.56 0.04 0.00 -0.02 0.00 0.00 41.12 36.93 1by3 n ASP 171 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1by3 n SER 172 N -1.79 -5.96 -4.66 -2.24 7.64 -1.16 -1.01 113.62 104.44 1by3 n SER 172 Ca -0.19 -0.37 -0.43 0.00 1.01 0.00 0.00 58.87 58.89 1by3 n SER 172 Cb 0.65 -4.79 -0.02 0.00 -1.01 0.00 0.00 64.21 59.04 1by3 n SER 172 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1by3 s LEU 173 N -6.85 4.17 -0.07 -3.43 2.96 -0.50 -4.15 118.68 110.81 1by3 s LEU 173 Ca 0.39 1.65 0.01 0.00 -0.22 0.00 0.00 54.13 55.96 1by3 s LEU 173 Cb -0.18 -3.54 0.02 0.00 0.50 0.00 0.00 46.19 42.99 1by3 s LEU 173 CO 0.49 -0.75 -0.09 -0.36 -1.32 0.00 0.00 176.35 174.32 1by3 s PHE 174 N 3.46 1.25 -0.03 5.38 0.08 0.68 -1.61 117.98 127.19 1by3 s PHE 174 Ca 0.53 -0.48 -0.09 0.00 0.12 0.00 0.00 56.93 57.01 1by3 s PHE 174 Cb -0.21 -0.99 0.01 0.00 -0.57 0.00 0.00 43.02 41.27 1by3 s PHE 174 CO 0.13 -0.31 0.20 -1.14 -0.10 0.00 0.00 175.22 174.01 1by3 s GLN 175 N 1.01 0.46 0.02 0.44 0.74 -0.64 -0.30 119.66 121.40 1by3 s GLN 175 Ca -0.09 -0.14 0.01 0.00 0.05 0.00 0.00 55.36 55.19 1by3 s GLN 175 Cb -0.15 0.20 -0.02 0.00 1.10 0.00 0.00 33.01 34.15 1by3 s GLN 175 CO -0.00 -0.11 -0.04 -0.08 -0.55 0.00 0.00 175.29 174.51 1by3 s THR 176 N -0.93 0.20 0.14 -0.34 -1.32 -0.75 0.09 115.64 112.73 1by3 s THR 176 Ca -0.10 -0.84 -0.24 0.00 -1.21 0.00 0.00 61.69 59.29 1by3 s THR 176 Cb -0.05 -0.31 0.07 0.00 -1.51 0.00 0.00 72.50 70.69 1by3 s THR 176 CO 0.02 -0.41 0.73 -0.83 -2.21 0.00 0.00 174.62 171.92 1by3 s GLY 177 N -1.31 -0.46 0.06 6.08 0.00 -0.34 -1.29 107.32 110.06 1by3 s GLY 177 Ca -0.13 0.46 -0.06 0.00 0.00 0.00 0.00 44.72 44.99 1by3 s GLY 177 CO -0.01 0.15 0.12 -0.11 0.00 0.00 0.00 173.10 173.25 1by3 s PHE 178 N -3.57 0.22 -0.23 1.90 -0.12 -0.50 -0.21 117.98 115.46 1by3 s PHE 178 Ca 0.05 -0.59 -0.03 0.00 -0.05 0.00 0.00 56.93 56.31 1by3 s PHE 178 Cb -0.02 -0.14 0.12 0.00 -0.63 0.00 0.00 43.02 42.35 1by3 s PHE 178 CO -0.07 -0.43 0.32 0.34 -0.05 0.00 0.00 175.22 175.32 1by3 s ASP 179 N -2.47 0.73 -0.06 1.98 2.15 -0.43 -1.60 116.67 116.97 1by3 s ASP 179 Ca 0.00 0.01 0.05 0.00 0.43 0.00 0.00 52.55 53.04 1by3 s ASP 179 Cb 0.02 0.81 -0.01 0.00 -0.30 0.00 0.00 42.92 43.45 1by3 s ASP 179 CO -0.07 -0.31 -0.21 -0.36 -0.17 0.00 0.00 175.17 174.05 1by3 s PHE 180 N 2.45 2.07 -0.04 -5.34 0.40 0.05 -1.51 117.98 116.08 1by3 s PHE 180 Ca 0.10 -0.64 -0.04 0.00 -0.60 0.00 0.00 56.93 55.75 1by3 s PHE 180 Cb -0.15 -1.38 0.01 0.00 0.51 0.00 0.00 43.02 42.00 1by3 s PHE 180 CO -0.15 -0.22 0.11 0.45 0.70 0.00 0.00 175.22 176.11 1by3 s SER 181 N 0.01 -0.09 0.14 1.36 0.15 0.10 0.02 113.70 115.40 1by3 s SER 181 Ca -0.06 0.15 -0.25 0.00 0.70 0.00 0.00 55.95 56.50 1by3 s SER 181 Cb -0.13 0.22 0.08 0.00 -1.71 0.00 0.00 66.02 64.47 1by3 s SER 181 CO 0.03 -0.08 1.03 -0.62 1.20 0.00 0.00 173.24 174.81 1by3 s ASP 182 N -0.13 -0.09 0.01 5.45 2.15 -0.95 -1.24 116.67 121.87 1by3 s ASP 182 Ca -0.02 -0.48 -0.08 0.00 0.43 0.00 0.00 52.55 52.40 1by3 s ASP 182 Cb -0.02 0.45 -0.05 0.00 -0.30 0.00 0.00 42.92 43.00 1by3 s ASP 182 CO 0.00 -0.86 0.30 -0.44 -0.17 0.00 0.00 175.17 174.00 1by3 s SER 183 N -3.14 6.55 -0.22 -0.34 0.01 -1.26 -1.24 113.70 114.06 1by3 s SER 183 Ca 0.17 0.64 0.08 0.00 1.31 0.00 0.00 55.95 58.15 1by3 s SER 183 Cb -0.01 -2.12 -0.21 0.00 0.21 0.00 0.00 66.02 63.89 1by3 s SER 183 CO 0.03 0.26 -0.03 0.18 0.41 0.00 0.00 173.24 174.09 1by3 n LEU 184 N 1.25 1.74 0.00 2.44 4.77 0.12 -4.96 117.00 122.36 1by3 n LEU 184 Ca -0.12 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 1by3 n LEU 184 Cb 0.53 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 1by3 n LEU 184 CO 0.40 0.74 0.00 -0.90 -1.33 0.00 0.00 177.39 176.30 1by3 n ASP 185 N -3.07 0.00 -0.06 -1.43 5.75 -1.21 -5.02 116.55 111.51 1by3 n ASP 185 Ca -0.39 -0.93 -0.01 0.00 -0.01 0.00 0.00 54.79 53.46 1by3 n ASP 185 Cb 1.06 0.00 -0.16 0.00 -1.03 0.00 0.00 41.12 40.99 1by3 n ASP 185 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1by3 n ASP 186 N -2.78 0.27 0.01 -1.12 -0.08 -1.26 -4.46 116.55 107.13 1by3 n ASP 186 Ca 0.00 0.00 0.11 0.00 -1.51 0.00 0.00 54.79 53.39 1by3 n ASP 186 Cb 0.00 1.41 -0.02 0.00 2.34 0.00 0.00 41.12 44.85 1by3 n ASP 186 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1by3 n ASP 187 N -2.49 0.68 0.00 1.67 8.00 -1.26 -4.97 116.55 118.18 1by3 n ASP 187 Ca -0.19 -0.50 0.00 0.00 0.71 0.00 0.00 54.79 54.81 1by3 n ASP 187 Cb 0.86 0.92 0.00 0.00 -0.02 0.00 0.00 41.12 42.88 1by3 n ASP 187 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1by3 n GLY 188 N 1.43 1.53 0.12 0.44 0.00 -1.26 -5.01 105.19 102.44 1by3 n GLY 188 Ca 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 1by3 n GLY 188 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1by3 h VAL 189 N 0.00 1.49 -3.16 1.61 2.07 -1.90 -3.43 116.25 112.92 1by3 h VAL 189 Ca 0.00 -2.80 -0.57 0.00 0.82 0.00 0.00 66.70 64.14 1by3 h VAL 189 Cb 0.00 2.66 -0.36 0.00 -1.52 0.00 0.00 31.29 32.07 1by3 h VAL 189 CO 0.00 0.82 -0.82 -0.31 0.02 0.00 0.00 177.57 177.28 1by3 s TYR 190 N -2.98 1.88 0.20 1.57 2.02 -1.26 -1.55 117.35 117.22 1by3 s TYR 190 Ca -0.04 -1.00 0.01 0.00 -0.37 0.00 0.00 57.07 55.68 1by3 s TYR 190 Cb 0.09 -1.43 -0.05 0.00 -0.40 0.00 0.00 41.96 40.17 1by3 s TYR 190 CO 0.86 -0.59 0.05 -1.54 -1.57 0.00 0.00 175.55 172.76 1by3 s SER 191 N 1.51 1.06 0.31 2.29 1.04 -0.95 0.13 113.70 119.08 1by3 s SER 191 Ca 0.04 -1.26 -0.08 0.00 0.48 0.00 0.00 55.95 55.13 1by3 s SER 191 Cb -0.13 0.17 0.01 0.00 0.10 0.00 0.00 66.02 66.16 1by3 s SER 191 CO -0.09 -0.65 0.51 -0.72 0.98 0.00 0.00 173.24 173.27 1by3 s TYR 192 N -3.76 0.68 -0.27 5.02 1.13 -0.37 -1.26 117.35 118.52 1by3 s TYR 192 Ca 0.29 -1.01 -0.13 0.00 -1.41 0.00 0.00 57.07 54.82 1by3 s TYR 192 Cb 0.07 0.12 0.09 0.00 -1.10 0.00 0.00 41.96 41.15 1by3 s TYR 192 CO 0.07 -1.12 0.62 0.50 -2.51 0.00 0.00 175.55 173.12 1by3 s ARG 193 N -3.37 0.60 -0.17 -3.49 3.52 -0.03 -2.23 118.95 113.78 1by3 s ARG 193 Ca 0.26 1.24 0.00 0.00 -0.13 0.00 0.00 55.73 57.10 1by3 s ARG 193 Cb -0.01 0.38 0.03 0.00 -1.56 0.00 0.00 34.95 33.79 1by3 s ARG 193 CO 0.15 -0.18 -0.10 -1.17 -0.81 0.00 0.00 175.30 173.19 1by3 s LEU 194 N 2.10 1.82 -0.05 -0.88 2.96 0.10 -0.86 118.68 123.88 1by3 s LEU 194 Ca -0.08 -0.64 -0.00 0.00 -0.22 0.00 0.00 54.13 53.19 1by3 s LEU 194 Cb -0.08 -1.10 0.03 0.00 0.50 0.00 0.00 46.19 45.53 1by3 s LEU 194 CO -0.18 -0.12 -0.01 0.28 -1.32 0.00 0.00 176.35 175.00 1by3 s THR 195 N 1.51 0.34 0.18 3.68 -1.32 -1.15 -0.77 115.64 118.12 1by3 s THR 195 Ca 0.02 0.05 -0.04 0.00 -1.21 0.00 0.00 61.69 60.51 1by3 s THR 195 Cb -0.14 -0.44 -0.03 0.00 -1.51 0.00 0.00 72.50 70.37 1by3 s THR 195 CO -0.09 0.21 0.17 -0.83 -2.21 0.00 0.00 174.62 171.87 1by3 s GLY 196 N 1.34 1.07 0.09 6.08 0.00 -0.63 -0.35 107.32 114.92 1by3 s GLY 196 Ca -0.05 -1.42 -0.15 0.00 0.00 0.00 0.00 44.72 43.09 1by3 s GLY 196 CO -0.02 -1.22 0.37 0.48 0.00 0.00 0.00 173.10 172.70 1by3 s LEU 197 N -3.08 0.59 -0.05 0.66 -0.00 -0.03 -1.41 118.68 115.35 1by3 s LEU 197 Ca 0.30 -0.26 -0.01 0.00 -0.00 0.00 0.00 54.13 54.16 1by3 s LEU 197 Cb 0.06 1.65 0.03 0.00 -0.00 0.00 0.00 46.19 47.93 1by3 s LEU 197 CO 0.07 -0.76 0.01 0.00 -0.00 0.00 0.00 176.35 175.67 1by3 s ALA 198 N -3.30 0.50 0.04 1.48 0.00 -0.41 -1.64 121.76 118.43 1by3 s ALA 198 Ca 0.00 0.02 0.05 0.00 0.00 0.00 0.00 51.96 52.03 1by3 s ALA 198 Cb 0.01 -0.59 -0.02 0.00 0.00 0.00 0.00 23.12 22.52 1by3 s ALA 198 CO -0.08 -0.34 -0.14 0.50 0.00 0.00 0.00 175.76 175.70 1by3 s ARG 199 N 1.71 0.93 0.00 0.00 3.52 -0.41 -1.81 118.95 122.89 1by3 s ARG 199 Ca 0.00 -0.74 0.00 0.00 -0.13 0.00 0.00 55.73 54.86 1by3 s ARG 199 Cb -0.13 -0.93 -0.00 0.00 -1.56 0.00 0.00 34.95 32.33 1by3 s ARG 199 CO -0.03 0.23 -0.01 0.45 -0.81 0.00 0.00 175.30 175.12 1by3 s SER 200 N -1.11 0.12 -0.04 -2.12 0.15 0.59 -1.57 113.70 109.71 1by3 s SER 200 Ca 0.01 -0.06 -0.30 0.00 0.70 0.00 0.00 55.95 56.30 1by3 s SER 200 Cb -0.08 -0.00 0.11 0.00 -1.71 0.00 0.00 66.02 64.34 1by3 s SER 200 CO 0.01 -0.02 0.98 0.00 1.20 0.00 0.00 173.24 175.41 1by3 s ALA 201 N -0.15 -1.89 0.09 5.45 0.00 -0.54 -0.23 121.76 124.49 1by3 s ALA 201 Ca -0.01 1.11 -0.10 0.00 0.00 0.00 0.00 51.96 52.96 1by3 s ALA 201 Cb -0.01 0.29 -0.06 0.00 0.00 0.00 0.00 23.12 23.34 1by3 s ALA 201 CO -0.00 -0.69 0.42 -0.80 0.00 0.00 0.00 175.76 174.69 1by3 s ASN 202 N -2.44 6.67 0.95 0.00 -0.87 -0.18 -0.52 114.94 118.56 1by3 s ASN 202 Ca 0.07 0.83 -0.14 0.00 -1.57 0.00 0.00 52.86 52.04 1by3 s ASN 202 Cb -0.01 -2.19 0.17 0.00 -0.02 0.00 0.00 41.25 39.20 1by3 s ASN 202 CO -0.07 0.16 1.20 0.00 -2.57 0.00 0.00 177.10 175.81 1by3 s ALA 203 N -1.41 1.88 0.09 0.60 0.00 0.81 -4.79 121.76 118.94 1by3 s ALA 203 Ca 0.34 -0.82 -0.16 0.00 0.00 0.00 0.00 51.96 51.32 1by3 s ALA 203 Cb -0.14 -2.92 -0.09 0.00 0.00 0.00 0.00 23.12 19.97 1by3 s ALA 203 CO 0.18 -2.43 1.42 0.37 0.00 0.00 0.00 175.76 175.30 1by3 h GLN 204 N -1.64 0.61 -6.77 0.00 4.15 -1.92 -3.44 115.11 106.11 1by3 h GLN 204 Ca -0.47 -0.31 -0.52 0.00 0.77 0.00 0.00 58.65 58.12 1by3 h GLN 204 Cb 1.30 0.00 0.04 0.00 0.21 0.00 0.00 27.48 29.03 1by3 h GLN 204 CO 0.51 0.90 0.62 -0.65 -1.93 0.00 0.00 178.83 178.28 1by3 s GLN 205 N -4.42 4.41 0.31 1.69 1.11 -1.26 -4.60 119.66 116.91 1by3 s GLN 205 Ca -0.13 2.08 -0.30 0.00 0.01 0.00 0.00 55.36 57.02 1by3 s GLN 205 Cb 0.08 -3.15 -0.12 0.00 -1.01 0.00 0.00 33.01 28.81 1by3 s GLN 205 CO 0.81 -0.16 1.49 1.63 0.01 0.00 0.00 175.29 179.07 1by3 n LYS 206 N 1.76 2.49 0.00 2.91 5.02 -0.63 -2.51 118.16 127.20 1by3 n LYS 206 Ca 0.03 0.88 0.00 0.00 -2.02 0.00 0.00 58.31 57.20 1by3 n LYS 206 Cb 0.43 -2.60 0.00 0.00 -0.02 0.00 0.00 35.03 32.84 1by3 n LYS 206 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1by3 n GLY 207 N 1.60 2.62 3.92 0.72 0.00 -1.26 -4.75 105.19 108.05 1by3 n GLY 207 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 1by3 n GLY 207 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1by3 s SER 208 N -1.96 6.39 0.12 1.61 0.01 -1.05 -5.02 113.70 113.80 1by3 s SER 208 Ca 0.00 0.34 -0.11 0.00 1.31 0.00 0.00 55.95 57.49 1by3 s SER 208 Cb 0.00 -1.98 0.01 0.00 0.21 0.00 0.00 66.02 64.25 1by3 s SER 208 CO 0.00 0.08 0.28 -1.83 0.41 0.00 0.00 173.24 172.18 1by3 s GLU 209 N -2.84 1.00 -0.04 12.44 -1.05 -1.26 -0.14 118.70 126.82 1by3 s GLU 209 Ca 0.37 -0.94 0.02 0.00 -0.15 0.00 0.00 54.97 54.26 1by3 s GLU 209 Cb -0.12 0.39 0.01 0.00 -0.44 0.00 0.00 34.13 33.98 1by3 s GLU 209 CO 0.28 -0.36 -0.06 -1.83 0.95 0.00 0.00 175.26 174.23 1by3 s GLU 210 N -3.87 0.92 0.02 -4.83 -1.05 0.33 -2.88 118.70 107.33 1by3 s GLU 210 Ca 0.07 -0.19 0.06 0.00 -0.15 0.00 0.00 54.97 54.76 1by3 s GLU 210 Cb 0.03 -0.87 -0.02 0.00 -0.44 0.00 0.00 34.13 32.83 1by3 s GLU 210 CO -0.08 -0.00 -0.19 -0.65 0.95 0.00 0.00 175.26 175.28 1by3 s GLN 211 N 0.61 1.38 -0.11 -4.83 -0.21 -0.52 -1.47 119.66 114.51 1by3 s GLN 211 Ca -0.09 -0.83 -0.11 0.00 0.02 0.00 0.00 55.36 54.35 1by3 s GLN 211 Cb -0.12 -1.43 0.03 0.00 1.00 0.00 0.00 33.01 32.49 1by3 s GLN 211 CO 0.01 0.37 0.31 0.50 -2.12 0.00 0.00 175.29 174.36 1by3 s ARG 212 N -0.93 0.38 -0.05 2.91 3.52 -0.61 -3.94 118.95 120.24 1by3 s ARG 212 Ca 0.07 0.40 -0.02 0.00 -0.13 0.00 0.00 55.73 56.05 1by3 s ARG 212 Cb -0.08 0.19 0.03 0.00 -1.56 0.00 0.00 34.95 33.53 1by3 s ARG 212 CO 0.01 -0.05 0.08 0.71 -0.81 0.00 0.00 175.30 175.24 1by3 s TYR 213 N 0.09 0.01 0.02 5.12 2.02 -0.49 -1.29 117.35 122.83 1by3 s TYR 213 Ca -0.01 0.33 0.00 0.00 -0.37 0.00 0.00 57.07 57.02 1by3 s TYR 213 Cb -0.02 -0.44 -0.02 0.00 -0.40 0.00 0.00 41.96 41.08 1by3 s TYR 213 CO 0.01 -0.21 -0.03 0.00 -1.57 0.00 0.00 175.55 173.74 1by3 s ALA 214 N 2.20 0.17 -0.02 3.71 0.00 -0.65 -0.09 121.76 127.08 1by3 s ALA 214 Ca 0.05 -0.55 -0.01 0.00 0.00 0.00 0.00 51.96 51.44 1by3 s ALA 214 Cb -0.12 0.12 0.01 0.00 0.00 0.00 0.00 23.12 23.13 1by3 s ALA 214 CO -0.04 -0.12 0.05 -1.50 0.00 0.00 0.00 175.76 174.15 1by3 s ILE 215 N -1.28 -0.01 -0.42 0.00 1.10 -0.75 -0.85 121.20 118.97 1by3 s ILE 215 Ca -0.13 0.04 0.02 0.00 -0.51 0.00 0.00 60.65 60.06 1by3 s ILE 215 Cb -0.09 -0.09 0.13 0.00 0.15 0.00 0.00 42.46 42.57 1by3 s ILE 215 CO -0.01 0.02 0.22 0.00 -2.11 0.00 0.00 174.94 173.06 1by3 s ALA 216 N 0.23 2.09 -0.08 1.50 0.00 0.53 -1.60 121.76 124.43 1by3 s ALA 216 Ca -0.02 -2.50 -0.28 0.00 0.00 0.00 0.00 51.96 49.17 1by3 s ALA 216 Cb -0.03 -1.86 -0.02 0.00 0.00 0.00 0.00 23.12 21.21 1by3 s ALA 216 CO -0.01 -2.02 0.90 -2.14 0.00 0.00 0.00 175.76 172.49 1by3 s PRO 217 N 0.50 4.44 -0.01 0.00 0.02 -1.17 -2.92 135.00 135.85 1by3 s PRO 217 Ca 0.17 1.22 0.02 0.00 0.02 0.00 0.00 61.00 62.43 1by3 s PRO 217 Cb -0.24 -3.50 -0.01 0.00 0.02 0.00 0.00 34.50 30.77 1by3 s PRO 217 CO -0.02 -0.16 -0.07 0.00 -0.33 0.00 0.00 177.00 176.42 1by3 s ALA 218 N 1.48 0.59 -0.03 -1.55 0.00 -0.03 -1.73 121.76 120.49 1by3 s ALA 218 Ca 0.45 -0.30 0.01 0.00 0.00 0.00 0.00 51.96 52.12 1by3 s ALA 218 Cb -0.19 -0.15 0.01 0.00 0.00 0.00 0.00 23.12 22.80 1by3 s ALA 218 CO 0.20 0.14 -0.04 0.12 0.00 0.00 0.00 175.76 176.18 1by3 s PHE 219 N -0.16 0.57 -0.13 0.00 5.36 -0.67 -0.85 117.98 122.09 1by3 s PHE 219 Ca 0.03 -0.12 0.01 0.00 -0.96 0.00 0.00 56.93 55.89 1by3 s PHE 219 Cb -0.03 -0.49 -0.00 0.00 -0.34 0.00 0.00 43.02 42.16 1by3 s PHE 219 CO -0.00 -0.11 -0.18 0.99 -1.46 0.00 0.00 175.22 174.46 1by3 s THR 220 N 0.54 2.54 -0.18 0.12 2.01 -0.39 0.29 115.64 120.57 1by3 s THR 220 Ca -0.06 -0.83 -0.01 0.00 0.31 0.00 0.00 61.69 61.10 1by3 s THR 220 Cb -0.10 -2.04 0.00 0.00 0.01 0.00 0.00 72.50 70.37 1by3 s THR 220 CO -0.00 0.53 -0.13 0.86 -0.69 0.00 0.00 174.62 175.19 1by3 s TRP 221 N 0.54 2.84 -0.50 4.92 -0.00 0.30 -2.23 118.94 124.82 1by3 s TRP 221 Ca -0.11 -1.15 0.03 0.00 -0.00 0.00 0.00 56.10 54.87 1by3 s TRP 221 Cb -0.16 -1.97 0.13 0.00 -0.00 0.00 0.00 33.47 31.47 1by3 s TRP 221 CO 0.04 -0.58 0.26 0.50 -0.00 0.00 0.00 176.95 177.18 1by3 s ARG 222 N 1.14 1.77 0.15 5.86 3.52 -0.60 -0.13 118.95 130.67 1by3 s ARG 222 Ca 0.01 -2.45 -0.19 0.00 -0.13 0.00 0.00 55.73 52.97 1by3 s ARG 222 Cb -0.14 -2.99 0.06 0.00 -1.56 0.00 0.00 34.95 30.32 1by3 s ARG 222 CO -0.04 -1.14 1.67 -1.35 -0.81 0.00 0.00 175.30 173.63 1by3 h PRO 223 N 6.51 -0.04 0.00 5.12 0.11 -1.83 -3.43 132.00 138.44 1by3 h PRO 223 Ca -0.04 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.00 1by3 h PRO 223 Cb 0.90 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.00 1by3 h PRO 223 CO 0.62 -0.03 -0.07 -0.40 -0.21 0.00 0.00 178.00 177.91 1by3 n ASP 224 N -5.29 -0.15 0.00 -2.05 5.68 -1.26 -5.03 116.55 108.44 1by3 n ASP 224 Ca 0.01 -1.37 0.14 0.00 -0.50 0.00 0.00 54.79 53.07 1by3 n ASP 224 Cb 0.21 0.33 0.80 0.00 -1.14 0.00 0.00 41.12 41.32 1by3 n ASP 224 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1by3 n ASP 225 N -2.59 0.00 -0.31 -1.12 5.75 -1.26 -3.23 116.55 113.78 1by3 n ASP 225 Ca 0.01 -0.55 0.04 0.00 -0.01 0.00 0.00 54.79 54.28 1by3 n ASP 225 Cb 0.10 -0.13 0.03 0.00 -1.03 0.00 0.00 41.12 40.09 1by3 n ASP 225 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1by3 n LYS 226 N -1.13 0.29 -4.74 0.11 4.01 -1.26 -4.99 118.16 110.45 1by3 n LYS 226 Ca 0.18 -0.95 -0.25 0.00 -0.51 0.00 0.00 58.31 56.78 1by3 n LYS 226 Cb 0.16 -1.14 -0.16 0.00 -0.51 0.00 0.00 35.03 33.37 1by3 n LYS 226 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 1by3 s THR 227 N -0.71 1.30 -0.10 -0.18 2.01 -1.20 -1.54 115.64 115.21 1by3 s THR 227 Ca 0.09 -0.63 -0.03 0.00 0.31 0.00 0.00 61.69 61.43 1by3 s THR 227 Cb 0.07 -1.13 0.04 0.00 0.01 0.00 0.00 72.50 71.49 1by3 s THR 227 CO 0.11 0.38 0.07 0.21 -0.69 0.00 0.00 174.62 174.70 1by3 s ASN 228 N 0.18 1.77 -0.22 3.53 3.04 -0.48 -3.77 114.94 119.00 1by3 s ASN 228 Ca -0.06 -0.27 -0.01 0.00 0.04 0.00 0.00 52.86 52.56 1by3 s ASN 228 Cb -0.12 -0.23 0.02 0.00 -1.54 0.00 0.00 41.25 39.38 1by3 s ASN 228 CO 0.02 -0.29 -0.11 0.12 -3.04 0.00 0.00 177.10 173.81 1by3 s PHE 229 N 2.12 2.97 -0.18 0.43 5.36 0.82 -1.07 117.98 128.43 1by3 s PHE 229 Ca 0.03 -1.53 0.01 0.00 -0.96 0.00 0.00 56.93 54.48 1by3 s PHE 229 Cb -0.14 -2.01 0.03 0.00 -0.34 0.00 0.00 43.02 40.56 1by3 s PHE 229 CO -0.06 -0.73 -0.14 0.99 -1.46 0.00 0.00 175.22 173.81 1by3 s THR 230 N 1.33 1.78 -0.07 0.12 2.01 -0.09 0.11 115.64 120.83 1by3 s THR 230 Ca 0.02 -0.91 -0.26 0.00 0.31 0.00 0.00 61.69 60.85 1by3 s THR 230 Cb -0.15 -1.72 -0.03 0.00 0.01 0.00 0.00 72.50 70.61 1by3 s THR 230 CO -0.07 0.35 0.82 0.12 -0.69 0.00 0.00 174.62 175.15 1by3 s PHE 231 N 1.37 3.57 -0.20 4.92 5.36 0.15 -1.15 117.98 132.01 1by3 s PHE 231 Ca 0.02 1.40 -0.00 0.00 -0.96 0.00 0.00 56.93 57.39 1by3 s PHE 231 Cb -0.14 -2.95 0.05 0.00 -0.34 0.00 0.00 43.02 39.63 1by3 s PHE 231 CO -0.10 -0.01 -0.05 -0.51 -1.46 0.00 0.00 175.22 173.08 1by3 s LEU 232 N 1.14 2.00 0.14 6.12 1.43 -0.01 -1.68 118.68 127.83 1by3 s LEU 232 Ca 0.42 -0.88 0.09 0.00 -1.03 0.00 0.00 54.13 52.73 1by3 s LEU 232 Cb -0.19 -1.03 -0.04 0.00 0.03 0.00 0.00 46.19 44.97 1by3 s LEU 232 CO 0.20 -0.20 -0.20 -0.94 0.23 0.00 0.00 176.35 175.44 1by3 s SER 233 N 1.53 2.66 -0.16 2.29 1.04 -0.71 -2.11 113.70 118.24 1by3 s SER 233 Ca -0.02 -0.79 -0.09 0.00 0.48 0.00 0.00 55.95 55.53 1by3 s SER 233 Cb -0.17 -0.15 0.06 0.00 0.10 0.00 0.00 66.02 65.86 1by3 s SER 233 CO -0.07 0.01 0.40 -0.47 0.98 0.00 0.00 173.24 174.08 1by3 s TYR 234 N -1.68 -0.57 -0.07 5.02 5.04 -0.74 -3.07 117.35 121.29 1by3 s TYR 234 Ca 0.12 1.23 0.02 0.00 -2.44 0.00 0.00 57.07 56.01 1by3 s TYR 234 Cb -0.08 0.24 0.01 0.00 0.35 0.00 0.00 41.96 42.49 1by3 s TYR 234 CO 0.06 -0.33 -0.12 -0.06 -1.34 0.00 0.00 175.55 173.76 1by3 s PHE 235 N 1.32 1.42 -0.02 4.97 0.40 -0.63 -0.93 117.98 124.51 1by3 s PHE 235 Ca -0.09 -0.52 0.00 0.00 -0.60 0.00 0.00 56.93 55.72 1by3 s PHE 235 Cb -0.08 -1.05 0.02 0.00 0.51 0.00 0.00 43.02 42.42 1by3 s PHE 235 CO -0.12 -0.28 0.01 -1.14 0.70 0.00 0.00 175.22 174.40 1by3 s GLN 236 N 0.69 0.08 -0.15 0.44 0.74 0.35 -1.82 119.66 119.99 1by3 s GLN 236 Ca -0.14 0.10 0.00 0.00 0.05 0.00 0.00 55.36 55.37 1by3 s GLN 236 Cb -0.16 -0.25 0.03 0.00 1.10 0.00 0.00 33.01 33.73 1by3 s GLN 236 CO 0.03 -0.10 -0.11 1.21 -0.55 0.00 0.00 175.29 175.77 1by3 s ASN 237 N 0.74 2.70 -0.38 6.67 2.47 0.87 -0.11 114.94 127.91 1by3 s ASN 237 Ca -0.07 -0.53 0.04 0.00 0.42 0.00 0.00 52.86 52.72 1by3 s ASN 237 Cb -0.09 -1.08 0.11 0.00 -1.45 0.00 0.00 41.25 38.74 1by3 s ASN 237 CO -0.02 -0.10 0.10 -1.61 -3.72 0.00 0.00 177.10 171.75 1by3 s GLU 238 N 1.54 1.56 0.30 0.43 2.02 0.63 -1.39 118.70 123.79 1by3 s GLU 238 Ca 0.03 -2.01 0.02 0.00 0.02 0.00 0.00 54.97 53.03 1by3 s GLU 238 Cb -0.14 -3.19 0.57 0.00 0.10 0.00 0.00 34.13 31.47 1by3 s GLU 238 CO -0.09 -0.98 1.88 -1.35 0.02 0.00 0.00 175.26 174.74 1by3 h PRO 239 N 7.39 0.96 -3.45 0.39 0.11 -1.82 -1.61 132.00 133.96 1by3 h PRO 239 Ca -0.05 -0.06 -0.34 0.00 0.11 0.00 0.00 66.00 65.66 1by3 h PRO 239 Cb 0.99 -0.22 -0.37 0.00 0.11 0.00 0.00 31.00 31.52 1by3 h PRO 239 CO 0.55 0.63 -0.74 -1.21 -0.21 0.00 0.00 178.00 177.03 1by3 s GLU 240 N -5.90 -0.00 0.00 1.05 0.41 -1.25 -4.17 118.70 108.83 1by3 s GLU 240 Ca -0.11 0.27 0.25 0.00 -0.41 0.00 0.00 54.97 54.96 1by3 s GLU 240 Cb 0.21 -0.42 0.50 0.00 -1.78 0.00 0.00 34.13 32.64 1by3 s GLU 240 CO 0.80 -0.25 1.40 0.25 -0.49 0.00 0.00 175.26 176.98 1by3 n THR 241 N 4.74 0.00 0.00 3.63 -2.24 0.22 -1.44 114.28 119.19 1by3 n THR 241 Ca -0.15 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 1by3 n THR 241 Cb 0.50 0.43 0.00 0.00 -2.10 0.00 0.00 70.33 69.17 1by3 n THR 241 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1by3 n GLY 242 N 1.44 -1.61 3.82 3.38 0.00 -1.14 -4.39 105.19 106.69 1by3 n GLY 242 Ca 0.08 -2.05 -0.33 0.00 0.00 0.00 0.00 46.02 43.72 1by3 n GLY 242 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1by3 s TYR 243 N 0.00 3.33 -0.32 1.61 5.04 -1.26 -4.84 117.35 120.91 1by3 s TYR 243 Ca 0.00 1.55 0.10 0.00 -2.44 0.00 0.00 57.07 56.29 1by3 s TYR 243 Cb 0.00 -2.80 0.35 0.00 0.35 0.00 0.00 41.96 39.86 1by3 s TYR 243 CO 0.00 -0.07 1.38 0.98 -1.34 0.00 0.00 175.55 176.50 1by3 n TYR 244 N -0.58 -1.89 -2.80 4.97 9.36 -1.26 -4.55 117.16 120.41 1by3 n TYR 244 Ca 0.06 -1.55 -0.09 0.00 3.32 0.00 0.00 57.90 59.65 1by3 n TYR 244 Cb 0.54 1.46 0.04 0.00 -0.63 0.00 0.00 39.34 40.75 1by3 n TYR 244 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1by3 n GLY 245 N -1.16 1.52 3.23 2.98 0.00 -1.26 -5.07 105.19 105.43 1by3 n GLY 245 Ca -0.13 -2.11 -0.29 0.00 0.00 0.00 0.00 46.02 43.48 1by3 n GLY 245 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1by3 s TRP 246 N -0.77 2.16 0.01 1.61 0.51 -1.26 -4.95 118.94 116.26 1by3 s TRP 246 Ca 0.27 -0.60 0.07 0.00 -2.12 0.00 0.00 56.10 53.72 1by3 s TRP 246 Cb -0.02 -1.42 -0.02 0.00 -0.81 0.00 0.00 33.47 31.20 1by3 s TRP 246 CO 0.17 -0.17 -0.22 -0.51 -0.51 0.00 0.00 176.95 175.71 1by3 s LEU 247 N -0.17 2.10 0.61 2.99 1.02 -1.15 -3.35 118.68 120.73 1by3 s LEU 247 Ca -0.02 -0.46 -0.13 0.00 0.02 0.00 0.00 54.13 53.54 1by3 s LEU 247 Cb -0.12 -1.09 -0.04 0.00 0.02 0.00 0.00 46.19 44.96 1by3 s LEU 247 CO 0.02 0.23 1.03 -2.16 0.02 0.00 0.00 176.35 175.49 1by3 s PRO 248 N -0.84 3.50 0.46 1.29 0.04 -1.26 0.19 135.00 138.38 1by3 s PRO 248 Ca 0.08 0.89 0.21 0.00 0.04 0.00 0.00 61.00 62.23 1by3 s PRO 248 Cb -0.09 -2.07 1.11 0.00 0.04 0.00 0.00 34.50 33.50 1by3 s PRO 248 CO 0.00 -0.65 1.95 1.57 0.04 0.00 0.00 177.00 179.92 1by3 h LYS 249 N -0.05 0.00 -6.16 4.56 2.10 -1.41 -3.35 116.57 112.26 1by3 h LYS 249 Ca -0.45 0.00 -0.53 0.00 -2.00 0.00 0.00 60.65 57.67 1by3 h LYS 249 Cb 1.20 0.00 -0.08 0.00 -0.90 0.00 0.00 32.23 32.45 1by3 h LYS 249 CO 0.60 0.22 1.21 -1.21 -2.00 0.00 0.00 179.45 178.27 1by3 s GLU 250 N -4.15 3.17 0.00 0.07 8.01 -1.26 -1.03 118.70 123.51 1by3 s GLU 250 Ca -0.02 -0.39 0.00 0.00 0.01 0.00 0.00 54.97 54.56 1by3 s GLU 250 Cb 0.13 -4.66 0.00 0.00 -4.31 0.00 0.00 34.13 25.29 1by3 s GLU 250 CO 0.64 -2.38 0.00 0.41 0.01 0.00 0.00 175.26 173.95 1by3 n GLY 251 N 6.04 0.67 0.00 -1.39 0.00 0.21 -4.76 105.19 105.95 1by3 n GLY 251 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1by3 n GLY 251 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1by3 n THR 252 N 0.00 0.00 -0.07 2.61 -2.24 -0.64 0.31 114.28 114.25 1by3 n THR 252 Ca 0.00 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.67 1by3 n THR 252 Cb 0.00 -0.18 -0.05 0.00 -2.10 0.00 0.00 70.33 68.01 1by3 n THR 252 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 1by3 h VAL 253 N 0.00 1.24 -3.17 2.28 -1.51 -1.56 -3.44 116.25 110.10 1by3 h VAL 253 Ca 0.00 -0.83 -0.65 0.00 -1.23 0.00 0.00 66.70 64.00 1by3 h VAL 253 Cb 0.00 1.37 -0.10 0.00 -2.13 0.00 0.00 31.29 30.43 1by3 h VAL 253 CO 0.00 0.26 -0.60 -1.61 -1.23 0.00 0.00 177.57 174.39 1by3 s GLU 254 N -5.06 2.94 0.56 5.19 2.02 -0.20 -5.05 118.70 119.11 1by3 s GLU 254 Ca -0.14 -0.60 -0.17 0.00 0.02 0.00 0.00 54.97 54.08 1by3 s GLU 254 Cb 0.07 -2.77 -0.05 0.00 0.10 0.00 0.00 34.13 31.48 1by3 s GLU 254 CO 0.73 0.60 1.07 -2.14 0.02 0.00 0.00 175.26 175.55 1by3 s PRO 255 N -2.05 3.39 0.83 0.39 0.02 -1.26 0.63 135.00 136.95 1by3 s PRO 255 Ca 0.26 1.34 -0.11 0.00 0.02 0.00 0.00 61.00 62.50 1by3 s PRO 255 Cb -0.12 -2.03 0.09 0.00 0.02 0.00 0.00 34.50 32.46 1by3 s PRO 255 CO 0.18 -0.77 1.09 -0.51 -0.33 0.00 0.00 177.00 176.65 1by3 s LEU 256 N -4.16 2.58 0.15 -5.54 1.43 0.13 -4.49 118.68 108.78 1by3 s LEU 256 Ca 0.67 1.54 0.06 0.00 -1.03 0.00 0.00 54.13 55.37 1by3 s LEU 256 Cb -0.18 -4.10 0.35 0.00 0.03 0.00 0.00 46.19 42.29 1by3 s LEU 256 CO 0.31 -2.26 1.06 -0.81 0.23 0.00 0.00 176.35 174.88 1by3 n PRO 257 N -3.65 0.04 -0.49 1.29 -0.04 -1.26 0.13 135.00 131.03 1by3 n PRO 257 Ca 0.08 0.44 0.09 0.00 -0.04 0.00 0.00 63.50 64.06 1by3 n PRO 257 Cb 0.55 -1.87 0.31 0.00 -0.04 0.00 0.00 33.50 32.45 1by3 n PRO 257 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1by3 n ASN 258 N -1.67 4.24 0.00 3.54 6.94 -1.26 -4.94 115.26 122.11 1by3 n ASN 258 Ca -0.00 -2.38 0.00 0.00 -0.02 0.00 0.00 54.58 52.17 1by3 n ASN 258 Cb 0.23 -0.50 0.00 0.00 -2.36 0.00 0.00 39.78 37.15 1by3 n ASN 258 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1by3 n GLY 259 N 0.88 2.18 3.94 4.83 0.00 0.34 -5.02 105.19 112.35 1by3 n GLY 259 Ca 0.23 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.01 1by3 n GLY 259 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1by3 s LYS 260 N -0.03 3.48 0.05 1.61 1.02 -1.25 -4.59 119.74 120.02 1by3 s LYS 260 Ca 0.00 -0.36 0.08 0.00 0.02 0.00 0.00 55.97 55.72 1by3 s LYS 260 Cb 0.00 -2.67 -0.03 0.00 -0.52 0.00 0.00 37.83 34.61 1by3 s LYS 260 CO 0.00 0.16 -0.22 1.03 -0.92 0.00 0.00 175.35 175.40 1by3 s ARG 261 N -4.30 1.93 0.52 1.68 0.52 -1.26 0.19 118.95 118.22 1by3 s ARG 261 Ca 0.40 -1.05 -0.22 0.00 -0.52 0.00 0.00 55.73 54.34 1by3 s ARG 261 Cb -0.10 -2.09 -0.07 0.00 0.52 0.00 0.00 34.95 33.22 1by3 s ARG 261 CO 0.36 0.52 1.11 1.28 0.02 0.00 0.00 175.30 178.59 1by3 n LEU 262 N 1.60 3.87 -4.77 2.53 4.77 0.15 -4.93 117.00 120.22 1by3 n LEU 262 Ca -0.17 0.94 -0.32 0.00 -0.03 0.00 0.00 56.01 56.44 1by3 n LEU 262 Cb 0.52 -1.44 0.08 0.00 -2.33 0.00 0.00 43.42 40.25 1by3 n LEU 262 CO 0.25 -1.31 0.71 -2.16 -1.33 0.00 0.00 177.39 173.55 1by3 s PRO 263 N -2.52 2.38 0.39 3.23 0.04 -1.26 -4.87 135.00 132.40 1by3 s PRO 263 Ca 0.70 1.23 0.08 0.00 0.04 0.00 0.00 61.00 63.05 1by3 s PRO 263 Cb -0.46 -1.91 0.85 0.00 0.04 0.00 0.00 34.50 33.02 1by3 s PRO 263 CO 0.52 -1.56 1.99 1.15 0.04 0.00 0.00 177.00 179.14 1by3 h THR 264 N -0.84 1.00 -0.53 1.26 2.02 -1.97 -2.04 112.91 111.82 1by3 h THR 264 Ca -0.44 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.53 1by3 h THR 264 Cb 1.24 0.34 0.00 0.00 -1.74 0.00 0.00 68.15 67.99 1by3 h THR 264 CO 0.52 0.11 0.00 -0.90 0.37 0.00 0.00 175.52 175.62 1by3 n ASP 265 N -4.48 3.28 -4.69 4.18 5.68 -1.26 -4.79 116.55 114.46 1by3 n ASP 265 Ca 0.09 -2.13 -0.42 0.00 -0.50 0.00 0.00 54.79 51.82 1by3 n ASP 265 Cb 0.23 -0.42 0.00 0.00 -1.14 0.00 0.00 41.12 39.79 1by3 n ASP 265 CO 0.00 0.00 0.00 0.33 -1.33 0.00 0.00 177.20 176.20 1by3 n PHE 266 N 1.00 2.15 -4.01 2.11 7.35 -0.77 -1.60 117.46 123.69 1by3 n PHE 266 Ca 0.19 0.54 -0.25 0.00 -0.76 0.00 0.00 57.45 57.17 1by3 n PHE 266 Cb 0.56 -2.39 -0.17 0.00 0.35 0.00 0.00 39.48 37.84 1by3 n PHE 266 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 1by3 s ASN 267 N -0.41 1.91 0.00 -2.13 3.84 -1.26 -4.74 114.94 112.15 1by3 s ASN 267 Ca 0.58 -0.25 0.24 0.00 0.21 0.00 0.00 52.86 53.64 1by3 s ASN 267 Cb -0.55 -0.74 0.39 0.00 -0.55 0.00 0.00 41.25 39.80 1by3 s ASN 267 CO 0.61 -0.10 1.38 -1.84 -2.79 0.00 0.00 177.10 174.35 1by3 n GLU 268 N 4.72 2.26 -2.60 0.43 0.00 -1.26 -4.98 120.64 119.21 1by3 n GLU 268 Ca -0.14 -1.85 -0.24 0.00 0.00 0.00 0.00 57.16 54.93 1by3 n GLU 268 Cb 0.50 -1.47 0.03 0.00 0.00 0.00 0.00 31.44 30.50 1by3 n GLU 268 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 1by3 s GLY 269 N -1.84 1.67 0.66 -1.84 0.00 -1.26 -4.67 107.32 100.05 1by3 s GLY 269 Ca 0.32 -1.02 -0.17 0.00 0.00 0.00 0.00 44.72 43.85 1by3 s GLY 269 CO 0.31 -0.75 1.24 0.00 0.00 0.00 0.00 173.10 173.90 1by3 s ALA 270 N -2.85 2.33 0.56 3.20 0.00 -1.26 -4.83 121.76 118.91 1by3 s ALA 270 Ca 0.54 1.05 0.36 0.00 0.00 0.00 0.00 51.96 53.91 1by3 s ALA 270 Cb -0.10 -3.50 1.97 0.00 0.00 0.00 0.00 23.12 21.49 1by3 s ALA 270 CO 0.41 -1.59 2.25 -0.22 0.00 0.00 0.00 175.76 176.62 1by3 h LYS 271 N 0.34 0.00 -0.58 0.00 3.64 -1.19 -2.34 116.57 116.44 1by3 h LYS 271 Ca -0.50 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 58.60 1by3 h LYS 271 Cb 1.31 0.00 -0.17 0.00 -0.41 0.00 0.00 32.23 32.96 1by3 h LYS 271 CO 0.52 0.02 0.18 0.27 -2.27 0.00 0.00 179.45 178.18 1by3 n ASN 272 N -3.45 3.06 -4.77 4.20 6.94 -1.26 -4.97 115.26 115.01 1by3 n ASN 272 Ca -0.03 -3.67 -0.39 0.00 -0.02 0.00 0.00 54.58 50.47 1by3 n ASN 272 Cb 0.12 -0.71 -0.00 0.00 -2.36 0.00 0.00 39.78 36.83 1by3 n ASN 272 CO 0.00 0.00 0.00 0.20 -1.03 0.00 0.00 177.26 176.43 1by3 s ASN 273 N -2.04 6.22 -0.08 0.53 0.02 -0.89 -4.92 114.94 113.79 1by3 s ASN 273 Ca 0.49 2.66 -0.08 0.00 -1.02 0.00 0.00 52.86 54.91 1by3 s ASN 273 Cb 0.43 -2.64 0.02 0.00 0.02 0.00 0.00 41.25 39.08 1by3 s ASN 273 CO 0.04 -0.91 0.21 0.28 0.02 0.00 0.00 177.10 176.74 1by3 s THR 274 N -1.28 0.00 -0.20 1.60 -1.32 -0.42 -4.97 115.64 109.05 1by3 s THR 274 Ca 0.58 -0.04 -0.05 0.00 -1.21 0.00 0.00 61.69 60.97 1by3 s THR 274 Cb -0.38 -0.31 0.10 0.00 -1.51 0.00 0.00 72.50 70.40 1by3 s THR 274 CO 0.49 -0.02 0.38 -0.47 -2.21 0.00 0.00 174.62 172.78 1by3 s TYR 275 N 0.02 -0.74 0.14 9.09 6.14 -1.26 -0.06 117.35 130.69 1by3 s TYR 275 Ca -0.01 1.18 0.04 0.00 0.64 0.00 0.00 57.07 58.92 1by3 s TYR 275 Cb -0.02 0.14 -0.04 0.00 0.42 0.00 0.00 41.96 42.46 1by3 s TYR 275 CO 0.00 -0.54 -0.10 -1.54 0.64 0.00 0.00 175.55 174.01 1by3 s SER 276 N 2.55 1.75 -0.08 4.32 1.04 0.38 0.70 113.70 124.36 1by3 s SER 276 Ca 0.04 -1.01 -0.08 0.00 0.48 0.00 0.00 55.95 55.37 1by3 s SER 276 Cb -0.13 -0.00 0.02 0.00 0.10 0.00 0.00 66.02 66.01 1by3 s SER 276 CO -0.13 -0.34 0.23 -0.60 0.98 0.00 0.00 173.24 173.38 1by3 s ARG 277 N -3.75 0.28 -0.04 4.02 3.52 -0.61 -1.43 118.95 120.94 1by3 s ARG 277 Ca 0.16 0.29 0.01 0.00 -0.13 0.00 0.00 55.73 56.07 1by3 s ARG 277 Cb 0.03 0.14 0.02 0.00 -1.56 0.00 0.00 34.95 33.57 1by3 s ARG 277 CO 0.00 -0.04 -0.05 1.21 -0.81 0.00 0.00 175.30 175.61 1by3 s ASN 278 N 0.05 0.99 -0.05 -2.12 3.84 0.13 -0.27 114.94 117.51 1by3 s ASN 278 Ca -0.01 -0.14 0.02 0.00 0.21 0.00 0.00 52.86 52.94 1by3 s ASN 278 Cb -0.02 -0.45 0.01 0.00 -0.55 0.00 0.00 41.25 40.24 1by3 s ASN 278 CO 0.00 -0.03 -0.09 -1.61 -2.79 0.00 0.00 177.10 172.58 1by3 s GLU 279 N 0.78 1.29 -0.09 0.43 2.02 0.85 -0.82 118.70 123.16 1by3 s GLU 279 Ca -0.11 -0.31 0.02 0.00 0.02 0.00 0.00 54.97 54.59 1by3 s GLU 279 Cb -0.14 -1.14 0.02 0.00 0.10 0.00 0.00 34.13 32.97 1by3 s GLU 279 CO 0.01 0.02 -0.12 0.15 0.02 0.00 0.00 175.26 175.34 1by3 s LYS 280 N 0.61 1.78 -0.02 1.61 1.02 -0.26 -0.50 119.74 123.98 1by3 s LYS 280 Ca -0.11 -0.41 0.01 0.00 0.02 0.00 0.00 55.97 55.48 1by3 s LYS 280 Cb -0.14 -1.55 0.01 0.00 -0.52 0.00 0.00 37.83 35.63 1by3 s LYS 280 CO 0.02 -0.06 -0.04 -1.64 -0.92 0.00 0.00 175.35 172.71 1by3 s MET 281 N 0.96 0.55 -0.02 1.68 -1.94 -0.11 -0.80 119.30 119.62 1by3 s MET 281 Ca -0.09 -0.13 0.00 0.00 -1.71 0.00 0.00 55.69 53.77 1by3 s MET 281 Cb -0.15 -0.57 0.02 0.00 2.01 0.00 0.00 34.83 36.14 1by3 s MET 281 CO -0.00 0.02 0.01 0.08 -0.01 0.00 0.00 175.02 175.12 1by3 s VAL 282 N 0.37 0.06 -0.00 -6.03 1.01 -0.27 -1.79 120.40 113.75 1by3 s VAL 282 Ca -0.04 0.11 -0.06 0.00 0.00 0.00 0.00 61.98 61.99 1by3 s VAL 282 Cb -0.08 -0.16 0.02 0.00 0.00 0.00 0.00 36.38 36.16 1by3 s VAL 282 CO -0.00 0.10 0.27 0.61 0.00 0.00 0.00 175.10 176.08 1by3 n GLY 283 N 3.94 0.59 3.63 4.51 0.00 -0.90 0.44 105.19 117.40 1by3 n GLY 283 Ca -0.25 -0.89 -0.09 0.00 0.00 0.00 0.00 46.02 44.80 1by3 n GLY 283 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1by3 s TYR 284 N -3.01 0.08 -0.06 1.61 -0.85 0.95 -0.83 117.35 115.24 1by3 s TYR 284 Ca 0.06 -0.46 0.01 0.00 -0.52 0.00 0.00 57.07 56.17 1by3 s TYR 284 Cb -0.00 0.38 0.02 0.00 0.38 0.00 0.00 41.96 42.73 1by3 s TYR 284 CO -0.00 -1.03 -0.09 0.45 -1.52 0.00 0.00 175.55 173.37 1by3 s SER 285 N -2.95 1.49 -0.04 -0.18 0.15 -0.30 -1.60 113.70 110.28 1by3 s SER 285 Ca 0.15 -0.23 0.03 0.00 0.70 0.00 0.00 55.95 56.60 1by3 s SER 285 Cb -0.02 -0.67 0.00 0.00 -1.71 0.00 0.00 66.02 63.62 1by3 s SER 285 CO 0.05 -0.02 -0.11 0.12 1.20 0.00 0.00 173.24 174.47 1by3 s PHE 286 N 0.89 1.21 -0.02 3.44 5.36 0.24 -0.91 117.98 128.19 1by3 s PHE 286 Ca -0.11 -0.34 0.04 0.00 -0.96 0.00 0.00 56.93 55.56 1by3 s PHE 286 Cb -0.15 -0.85 -0.01 0.00 -0.34 0.00 0.00 43.02 41.67 1by3 s PHE 286 CO 0.01 -0.14 -0.12 -0.51 -1.46 0.00 0.00 175.22 173.00 1by3 s ASP 287 N 0.23 1.45 -0.15 6.13 1.11 -0.23 -1.01 116.67 124.20 1by3 s ASP 287 Ca -0.05 -0.22 -0.07 0.00 0.18 0.00 0.00 52.55 52.39 1by3 s ASP 287 Cb -0.10 -0.23 0.06 0.00 1.07 0.00 0.00 42.92 43.71 1by3 s ASP 287 CO 0.01 0.13 0.34 -2.28 1.18 0.00 0.00 175.17 174.56 1by3 s HIS 288 N -0.16 -0.52 -0.33 4.23 2.46 -0.29 -1.38 115.29 119.32 1by3 s HIS 288 Ca 0.02 1.12 -0.07 0.00 0.47 0.00 0.00 55.06 56.60 1by3 s HIS 288 Cb -0.06 0.16 0.03 0.00 -0.13 0.00 0.00 32.58 32.58 1by3 s HIS 288 CO -0.00 -0.33 0.10 -2.00 -2.47 0.00 0.00 174.74 170.04 1by3 s GLU 289 N 1.64 2.74 -0.05 2.88 2.12 -0.59 0.45 118.70 127.89 1by3 s GLU 289 Ca -0.07 -1.10 -0.20 0.00 0.36 0.00 0.00 54.97 53.97 1by3 s GLU 289 Cb -0.10 -3.44 -0.14 0.00 0.26 0.00 0.00 34.13 30.71 1by3 s GLU 289 CO -0.11 -0.61 0.81 0.74 -0.54 0.00 0.00 175.26 175.56 1by3 h PHE 290 N 8.23 -0.26 -1.34 5.30 -1.00 -1.23 -3.46 116.94 123.17 1by3 h PHE 290 Ca -0.25 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.52 1by3 h PHE 290 Cb 1.09 0.09 0.00 0.00 3.61 0.00 0.00 35.95 40.74 1by3 h PHE 290 CO 0.60 0.12 0.00 0.09 -1.61 0.00 0.00 178.31 177.50 1by3 n ASN 291 N -4.97 0.30 -0.47 2.17 4.13 -1.15 -4.97 115.26 110.30 1by3 n ASN 291 Ca -0.07 -0.05 0.11 0.00 1.68 0.00 0.00 54.58 56.25 1by3 n ASN 291 Cb 0.25 0.00 0.43 0.00 -1.54 0.00 0.00 39.78 38.92 1by3 n ASN 291 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1by3 n ASP 292 N -0.12 1.42 -0.05 6.41 8.00 -1.26 -3.82 116.55 127.13 1by3 n ASP 292 Ca 0.00 -1.63 -0.06 0.00 0.71 0.00 0.00 54.79 53.82 1by3 n ASP 292 Cb 0.00 -0.07 -0.06 0.00 -0.02 0.00 0.00 41.12 40.97 1by3 n ASP 292 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 1by3 n THR 293 N 0.15 0.59 -5.28 -3.53 5.66 -1.26 -4.73 114.28 105.88 1by3 n THR 293 Ca 0.17 -0.30 -0.31 0.00 -3.05 0.00 0.00 64.05 60.56 1by3 n THR 293 Cb 0.30 -0.83 -0.16 0.00 -1.55 0.00 0.00 70.33 68.09 1by3 n THR 293 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 175.07 171.66 1by3 s PHE 294 N -2.21 2.33 -0.10 1.09 0.08 -1.25 -1.03 117.98 116.90 1by3 s PHE 294 Ca -0.09 -0.52 -0.05 0.00 0.12 0.00 0.00 56.93 56.39 1by3 s PHE 294 Cb 0.03 -1.51 0.05 0.00 -0.57 0.00 0.00 43.02 41.02 1by3 s PHE 294 CO 0.30 -0.09 0.23 0.99 -0.10 0.00 0.00 175.22 176.54 1by3 s THR 295 N -0.46 -0.14 0.02 0.64 2.01 -0.89 -0.66 115.64 116.15 1by3 s THR 295 Ca 0.06 0.20 -0.00 0.00 0.31 0.00 0.00 61.69 62.25 1by3 s THR 295 Cb -0.11 -0.37 -0.04 0.00 0.01 0.00 0.00 72.50 71.99 1by3 s THR 295 CO 0.00 0.08 0.12 0.54 -0.69 0.00 0.00 174.62 174.68 1by3 s VAL 296 N 1.60 4.97 -0.09 3.82 0.11 0.17 -0.98 120.40 130.00 1by3 s VAL 296 Ca -0.06 -0.40 -0.05 0.00 -2.93 0.00 0.00 61.98 58.55 1by3 s VAL 296 Cb -0.11 -3.33 0.04 0.00 -1.53 0.00 0.00 36.38 31.46 1by3 s VAL 296 CO -0.08 0.28 0.21 -0.60 -3.33 0.00 0.00 175.10 171.58 1by3 s ARG 297 N -1.99 0.18 0.00 1.54 3.52 -0.66 -1.13 118.95 120.41 1by3 s ARG 297 Ca 0.27 0.45 0.01 0.00 -0.13 0.00 0.00 55.73 56.33 1by3 s ARG 297 Cb -0.12 -0.10 -0.01 0.00 -1.56 0.00 0.00 34.95 33.16 1by3 s ARG 297 CO 0.18 -0.14 -0.04 -1.14 -0.81 0.00 0.00 175.30 173.35 1by3 s GLN 298 N 1.08 0.33 -0.04 5.12 0.74 -0.18 -0.57 119.66 126.12 1by3 s GLN 298 Ca -0.08 -0.23 0.00 0.00 0.05 0.00 0.00 55.36 55.11 1by3 s GLN 298 Cb -0.09 -0.27 0.03 0.00 1.10 0.00 0.00 33.01 33.77 1by3 s GLN 298 CO -0.07 0.07 -0.02 -0.80 -0.55 0.00 0.00 175.29 173.93 1by3 s ASN 299 N -0.32 0.89 -0.02 6.67 0.02 -0.39 -0.59 114.94 121.20 1by3 s ASN 299 Ca -0.01 -0.08 -0.07 0.00 -1.02 0.00 0.00 52.86 51.69 1by3 s ASN 299 Cb -0.03 -0.36 0.01 0.00 0.02 0.00 0.00 41.25 40.89 1by3 s ASN 299 CO -0.00 -0.10 0.15 -1.48 0.02 0.00 0.00 177.10 175.68 1by3 s LEU 300 N 1.20 1.49 -0.01 0.60 0.05 -0.63 -1.13 118.68 120.26 1by3 s LEU 300 Ca -0.07 -0.02 -0.08 0.00 0.05 0.00 0.00 54.13 54.02 1by3 s LEU 300 Cb -0.14 0.63 0.01 0.00 -2.05 0.00 0.00 46.19 44.64 1by3 s LEU 300 CO -0.02 -0.26 0.16 -0.60 -0.55 0.00 0.00 176.35 175.08 1by3 s ARG 301 N -0.85 0.45 -0.06 1.48 3.52 -0.73 -0.04 118.95 122.71 1by3 s ARG 301 Ca -0.09 -0.27 0.03 0.00 -0.13 0.00 0.00 55.73 55.27 1by3 s ARG 301 Cb -0.05 0.19 0.01 0.00 -1.56 0.00 0.00 34.95 33.53 1by3 s ARG 301 CO 0.01 -0.10 -0.15 0.12 -0.81 0.00 0.00 175.30 174.37 1by3 s PHE 302 N -1.11 1.63 0.01 5.12 5.36 0.17 -1.94 117.98 127.23 1by3 s PHE 302 Ca -0.12 -0.57 0.01 0.00 -0.96 0.00 0.00 56.93 55.29 1by3 s PHE 302 Cb -0.06 -1.15 -0.01 0.00 -0.34 0.00 0.00 43.02 41.45 1by3 s PHE 302 CO 0.02 -0.26 -0.04 0.00 -1.46 0.00 0.00 175.22 173.48 1by3 s ALA 303 N 0.44 0.26 -0.13 11.12 0.00 0.11 -1.11 121.76 132.45 1by3 s ALA 303 Ca -0.12 -0.39 0.01 0.00 0.00 0.00 0.00 51.96 51.46 1by3 s ALA 303 Cb -0.15 0.03 0.02 0.00 0.00 0.00 0.00 23.12 23.02 1by3 s ALA 303 CO 0.04 -0.02 -0.16 -1.21 0.00 0.00 0.00 175.76 174.41 1by3 s GLU 304 N -0.80 2.37 -0.03 0.00 2.02 0.02 -0.16 118.70 122.11 1by3 s GLU 304 Ca -0.06 -0.60 0.06 0.00 0.02 0.00 0.00 54.97 54.38 1by3 s GLU 304 Cb -0.06 -2.06 -0.01 0.00 0.10 0.00 0.00 34.13 32.11 1by3 s GLU 304 CO -0.00 -0.13 -0.20 1.21 0.02 0.00 0.00 175.26 176.15 1by3 s ASN 305 N 1.17 2.47 -0.03 -0.19 3.84 0.14 -1.10 114.94 121.24 1by3 s ASN 305 Ca -0.02 -0.40 0.01 0.00 0.21 0.00 0.00 52.86 52.67 1by3 s ASN 305 Cb -0.14 -0.49 0.02 0.00 -0.55 0.00 0.00 41.25 40.08 1by3 s ASN 305 CO -0.06 0.22 -0.04 -0.54 -2.79 0.00 0.00 177.10 173.89 1by3 s LYS 306 N -0.25 0.68 0.02 0.43 1.02 0.00 -0.15 119.74 121.49 1by3 s LYS 306 Ca 0.02 -0.11 0.01 0.00 0.02 0.00 0.00 55.97 55.91 1by3 s LYS 306 Cb -0.10 -0.70 -0.01 0.00 -0.52 0.00 0.00 37.83 36.49 1by3 s LYS 306 CO 0.01 -0.04 -0.04 -0.08 -0.92 0.00 0.00 175.35 174.29 1by3 s THR 307 N 0.67 0.26 0.03 2.17 -1.32 -1.07 0.17 115.64 116.55 1by3 s THR 307 Ca -0.08 -0.60 -0.13 0.00 -1.21 0.00 0.00 61.69 59.66 1by3 s THR 307 Cb -0.12 -0.31 0.02 0.00 -1.51 0.00 0.00 72.50 70.58 1by3 s THR 307 CO -0.00 -0.23 0.28 -0.44 -2.21 0.00 0.00 174.62 172.02 1by3 s SER 308 N -0.88 -0.10 -0.13 8.08 0.01 -0.51 -1.07 113.70 119.10 1by3 s SER 308 Ca -0.07 -0.17 -0.30 0.00 1.31 0.00 0.00 55.95 56.72 1by3 s SER 308 Cb -0.06 0.33 0.10 0.00 0.21 0.00 0.00 66.02 66.60 1by3 s SER 308 CO -0.00 -0.56 0.87 0.00 0.41 0.00 0.00 173.24 173.96 1by3 s GLN 309 N -2.24 0.78 -0.32 12.44 -2.07 -0.88 -0.47 119.66 126.90 1by3 s GLN 309 Ca -0.07 0.23 0.02 0.00 -1.82 0.00 0.00 55.36 53.72 1by3 s GLN 309 Cb -0.02 0.37 0.10 0.00 -1.09 0.00 0.00 33.01 32.36 1by3 s GLN 309 CO -0.02 -0.23 0.07 -0.80 -1.32 0.00 0.00 175.29 172.99 1by3 s ASN 310 N -1.04 4.40 0.00 12.60 0.02 0.91 -1.71 114.94 130.13 1by3 s ASN 310 Ca -0.05 -1.88 0.06 0.00 -1.02 0.00 0.00 52.86 49.97 1by3 s ASN 310 Cb -0.01 -1.27 -0.02 0.00 0.02 0.00 0.00 41.25 39.97 1by3 s ASN 310 CO 0.04 -0.39 -0.19 -0.44 0.02 0.00 0.00 177.10 176.15 1by3 s SER 311 N 1.24 2.22 -0.15 -1.22 0.01 -0.32 -1.30 113.70 114.19 1by3 s SER 311 Ca 0.10 -0.39 0.01 0.00 1.31 0.00 0.00 55.95 56.98 1by3 s SER 311 Cb -0.18 -0.22 0.00 0.00 0.21 0.00 0.00 66.02 65.83 1by3 s SER 311 CO -0.15 0.20 -0.19 -0.69 0.41 0.00 0.00 173.24 172.82 1by3 s VAL 312 N -0.56 2.37 0.09 3.43 1.01 -1.26 -0.38 120.40 125.11 1by3 s VAL 312 Ca 0.07 -0.87 0.04 0.00 0.00 0.00 0.00 61.98 61.22 1by3 s VAL 312 Cb -0.08 -1.98 -0.03 0.00 0.00 0.00 0.00 36.38 34.29 1by3 s VAL 312 CO 0.00 0.53 -0.11 -0.72 0.00 0.00 0.00 175.10 174.80 1by3 s TYR 313 N 0.79 1.10 0.72 5.22 1.13 -0.18 -4.04 117.35 122.09 1by3 s TYR 313 Ca -0.07 -0.60 -0.12 0.00 -1.41 0.00 0.00 57.07 54.87 1by3 s TYR 313 Cb -0.15 -0.60 0.03 0.00 -1.10 0.00 0.00 41.96 40.13 1by3 s TYR 313 CO -0.01 0.02 1.09 0.20 -2.51 0.00 0.00 175.55 174.35 1by3 s GLY 314 N -2.27 1.85 -0.36 5.49 0.00 -1.21 -1.93 107.32 108.88 1by3 s GLY 314 Ca 0.04 0.34 0.14 0.00 0.00 0.00 0.00 44.72 45.23 1by3 s GLY 314 CO 0.01 0.68 1.03 2.98 0.00 0.00 0.00 173.10 177.80 1by3 n TYR 315 N -3.04 -0.17 -0.49 1.90 4.19 -0.72 -4.54 117.16 114.29 1by3 n TYR 315 Ca 0.09 -2.67 0.06 0.00 3.31 0.00 0.00 57.90 58.69 1by3 n TYR 315 Cb 0.53 0.25 -0.03 0.00 0.49 0.00 0.00 39.34 40.57 1by3 n TYR 315 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1by3 n GLY 316 N -0.12 -2.80 3.71 2.98 0.00 -1.25 -4.61 105.19 103.10 1by3 n GLY 316 Ca 0.08 -1.32 -0.29 0.00 0.00 0.00 0.00 46.02 44.49 1by3 n GLY 316 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1by3 s VAL 317 N -3.32 1.95 0.27 1.61 -7.23 -1.26 -1.56 120.40 110.86 1by3 s VAL 317 Ca 0.00 0.00 0.30 0.00 -1.81 0.00 0.00 61.98 60.47 1by3 s VAL 317 Cb 0.00 -2.59 0.32 0.00 0.56 0.00 0.00 36.38 34.67 1by3 s VAL 317 CO 0.00 0.00 2.00 0.00 -0.31 0.00 0.00 175.10 176.79 1by3 n SER 319 N -3.36 0.50 -4.71 0.00 3.41 -0.37 -4.77 113.62 104.32 1by3 n SER 319 Ca -0.01 0.02 -0.42 0.00 -0.26 0.00 0.00 58.87 58.20 1by3 n SER 319 Cb 0.30 0.06 -0.03 0.00 -0.26 0.00 0.00 64.21 64.28 1by3 n SER 319 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1by3 s ASP 320 N -3.45 6.57 0.00 4.04 -1.08 -0.95 -4.81 116.67 116.99 1by3 s ASP 320 Ca 0.10 2.62 0.00 0.00 -0.52 0.00 0.00 52.55 54.75 1by3 s ASP 320 Cb 0.16 -2.59 0.00 0.00 -1.46 0.00 0.00 42.92 39.03 1by3 s ASP 320 CO 0.68 -0.85 0.71 -0.81 0.52 0.00 0.00 175.17 175.42 1by3 n PRO 321 N 4.23 0.00 0.15 4.34 -0.04 -1.26 -0.83 135.00 141.60 1by3 n PRO 321 Ca 0.14 0.25 0.13 0.00 -0.04 0.00 0.00 63.50 63.98 1by3 n PRO 321 Cb 0.38 -1.63 0.33 0.00 -0.04 0.00 0.00 33.50 32.54 1by3 n PRO 321 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1by3 h ALA 322 N 1.31 1.00 -0.28 0.55 0.00 -1.91 -3.29 119.26 116.64 1by3 h ALA 322 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 1by3 h ALA 322 Cb 0.27 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.97 1by3 h ALA 322 CO 0.00 0.00 -0.17 0.09 0.00 0.00 0.00 179.25 179.17 1by3 n ASN 323 N -2.59 2.32 0.20 0.00 4.13 -0.01 -4.72 115.26 114.59 1by3 n ASN 323 Ca 0.05 -3.80 0.14 0.00 1.68 0.00 0.00 54.58 52.64 1by3 n ASN 323 Cb 0.46 -0.61 0.73 0.00 -1.54 0.00 0.00 39.78 38.81 1by3 n ASN 323 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1by3 h ALA 324 N 1.00 1.00 -0.30 5.41 0.00 -1.73 -2.15 119.26 122.51 1by3 h ALA 324 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1by3 h ALA 324 Cb 1.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.31 1by3 h ALA 324 CO 0.31 -0.00 0.00 0.66 0.00 0.00 0.00 179.25 180.22 1by3 n TYR 325 N -2.44 0.95 -3.12 0.00 4.02 -1.26 -4.96 117.16 110.35 1by3 n TYR 325 Ca -0.02 -0.81 -0.42 0.00 -0.01 0.00 0.00 57.90 56.64 1by3 n TYR 325 Cb 0.05 -0.29 -0.07 0.00 -0.02 0.00 0.00 39.34 39.01 1by3 n TYR 325 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1by3 s SER 326 N -1.73 6.38 0.20 7.72 0.15 -0.81 -4.94 113.70 120.68 1by3 s SER 326 Ca 0.41 -0.01 -0.11 0.00 0.70 0.00 0.00 55.95 56.94 1by3 s SER 326 Cb 0.32 -2.32 0.24 0.00 -1.71 0.00 0.00 66.02 62.55 1by3 s SER 326 CO 0.10 -0.64 1.75 0.11 1.20 0.00 0.00 173.24 175.77 1by3 h LYS 327 N 8.58 0.40 -0.13 5.44 1.57 -1.92 -0.52 116.57 129.99 1by3 h LYS 327 Ca -0.26 -0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.53 1by3 h LYS 327 Cb 1.11 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 33.29 1by3 h LYS 327 CO 0.85 0.27 -0.12 1.96 -0.57 0.00 0.00 179.45 181.84 1by3 h GLN 328 N 0.42 -0.13 -0.06 3.15 4.20 -1.96 -0.17 115.11 120.55 1by3 h GLN 328 Ca 0.28 0.01 0.01 0.00 0.06 0.00 0.00 58.65 59.01 1by3 h GLN 328 Cb 0.32 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 1by3 h GLN 328 CO -0.27 -0.09 -0.01 0.00 -0.67 0.00 0.00 178.83 177.80 1by3 h ALA 330 N 1.06 1.53 0.00 0.00 0.00 -0.60 -1.59 119.26 119.66 1by3 h ALA 330 Ca 0.03 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1by3 h ALA 330 Cb 0.04 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1by3 h ALA 330 CO -0.06 0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.20 1by3 n ALA 331 N -2.36 2.55 -2.45 0.00 0.00 -0.12 -4.78 120.51 113.35 1by3 n ALA 331 Ca 0.21 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.38 1by3 n ALA 331 Cb 0.48 -1.02 -0.15 0.00 0.00 0.00 0.00 19.45 18.76 1by3 n ALA 331 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1by3 s LEU 332 N 0.00 2.11 0.06 0.00 1.43 -0.60 -5.05 118.68 116.63 1by3 s LEU 332 Ca 0.00 -0.45 -0.31 0.00 -1.03 0.00 0.00 54.13 52.33 1by3 s LEU 332 Cb 0.00 -1.02 -0.10 0.00 0.03 0.00 0.00 46.19 45.09 1by3 s LEU 332 CO 0.00 0.21 1.89 0.00 0.23 0.00 0.00 176.35 178.67 1by3 n ALA 333 N 2.19 1.75 -0.48 4.21 0.00 -1.26 -4.78 120.51 122.14 1by3 n ALA 333 Ca -0.16 0.28 -0.25 0.00 0.00 0.00 0.00 53.44 53.30 1by3 n ALA 333 Cb 0.53 -2.61 -0.05 0.00 0.00 0.00 0.00 19.45 17.32 1by3 n ALA 333 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1by3 n PRO 334 N 6.41 0.63 0.00 0.00 -0.04 -1.26 -0.41 135.00 140.33 1by3 n PRO 334 Ca 0.19 -1.06 0.00 0.00 -0.04 0.00 0.00 63.50 62.60 1by3 n PRO 334 Cb 0.37 -2.39 0.00 0.00 -0.04 0.00 0.00 33.50 31.44 1by3 n PRO 334 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1by3 n ALA 335 N 6.52 0.00 0.16 0.55 0.00 -1.26 -4.78 120.51 121.70 1by3 n ALA 335 Ca 0.31 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.84 1by3 n ALA 335 Cb 0.22 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.76 1by3 n ALA 335 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1by3 h ASP 336 N 0.00 0.00 -0.13 0.00 3.32 -1.08 -3.30 116.42 115.23 1by3 h ASP 336 Ca 0.00 0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.09 1by3 h ASP 336 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1by3 h ASP 336 CO 0.00 0.12 0.28 0.50 -1.72 0.00 0.00 179.24 178.42 1by3 h LYS 337 N 0.00 0.00 -0.19 3.56 3.64 -1.84 -1.31 116.57 120.43 1by3 h LYS 337 Ca -0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1by3 h LYS 337 Cb 1.10 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.92 1by3 h LYS 337 CO 0.01 0.00 0.00 0.41 -2.27 0.00 0.00 179.45 177.60 1by3 n GLY 338 N -1.30 0.92 0.79 5.01 0.00 -1.24 -1.23 105.19 108.13 1by3 n GLY 338 Ca 0.01 -0.60 0.02 0.00 0.00 0.00 0.00 46.02 45.45 1by3 n GLY 338 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1by3 n HIS 339 N 0.96 0.00 -4.50 1.61 1.44 -0.51 -4.62 115.22 109.60 1by3 n HIS 339 Ca 0.17 -0.32 -0.31 0.00 -2.01 0.00 0.00 57.72 55.25 1by3 n HIS 339 Cb 0.49 -0.10 -0.16 0.00 0.12 0.00 0.00 29.99 30.34 1by3 n HIS 339 CO 0.00 0.00 0.00 0.71 -2.81 0.00 0.00 176.34 174.24 1by3 s TYR 340 N -0.40 2.45 -0.19 -1.40 1.51 -1.13 -1.46 117.35 116.74 1by3 s TYR 340 Ca 0.15 -1.25 -0.09 0.00 -1.01 0.00 0.00 57.07 54.87 1by3 s TYR 340 Cb 0.17 -1.70 -0.05 0.00 -0.11 0.00 0.00 41.96 40.27 1by3 s TYR 340 CO -0.06 -0.60 0.11 -1.17 -1.11 0.00 0.00 175.55 172.72 1by3 s LEU 341 N 0.97 4.07 0.63 -1.29 2.96 -0.17 -0.12 118.68 125.73 1by3 s LEU 341 Ca -0.05 0.18 -0.12 0.00 -0.22 0.00 0.00 54.13 53.93 1by3 s LEU 341 Cb -0.15 -2.05 -0.03 0.00 0.50 0.00 0.00 46.19 44.47 1by3 s LEU 341 CO -0.04 0.18 1.04 0.00 -1.32 0.00 0.00 176.35 176.21 1by3 s ALA 342 N 0.36 2.97 0.05 5.97 0.00 -0.60 -1.63 121.76 128.89 1by3 s ALA 342 Ca 0.06 -0.00 -0.13 0.00 0.00 0.00 0.00 51.96 51.89 1by3 s ALA 342 Cb -0.11 -3.11 0.02 0.00 0.00 0.00 0.00 23.12 19.91 1by3 s ALA 342 CO -0.01 -0.80 0.28 1.03 0.00 0.00 0.00 175.76 176.26 1by3 s ARG 343 N -5.01 0.80 0.27 0.00 0.52 -1.26 -1.76 118.95 112.51 1by3 s ARG 343 Ca 0.56 -0.58 0.04 0.00 -0.52 0.00 0.00 55.73 55.24 1by3 s ARG 343 Cb -0.12 0.34 -0.02 0.00 0.52 0.00 0.00 34.95 35.68 1by3 s ARG 343 CO 0.52 -0.26 0.16 1.63 0.02 0.00 0.00 175.30 177.37 1by3 n LYS 344 N 0.50 0.48 -4.05 3.54 5.02 -0.81 -4.01 118.16 118.83 1by3 n LYS 344 Ca -0.18 -2.47 -0.10 0.00 -2.02 0.00 0.00 58.31 53.54 1by3 n LYS 344 Cb 0.60 1.68 -0.06 0.00 -0.02 0.00 0.00 35.03 37.23 1by3 n LYS 344 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 1by3 s TYR 345 N -2.83 0.56 -0.14 2.13 1.13 -1.26 -1.01 117.35 115.93 1by3 s TYR 345 Ca 0.22 -0.89 -0.13 0.00 -1.41 0.00 0.00 57.07 54.86 1by3 s TYR 345 Cb 0.01 -0.00 0.04 0.00 -1.10 0.00 0.00 41.96 40.91 1by3 s TYR 345 CO 0.16 -0.90 0.38 0.54 -2.51 0.00 0.00 175.55 173.22 1by3 s VAL 346 N -4.05 0.00 -0.23 -3.49 0.11 0.49 -1.59 120.40 111.63 1by3 s VAL 346 Ca 0.27 -0.01 0.01 0.00 -2.93 0.00 0.00 61.98 59.32 1by3 s VAL 346 Cb 0.01 -0.54 0.06 0.00 -1.53 0.00 0.00 36.38 34.38 1by3 s VAL 346 CO 0.10 -0.01 -0.08 -0.69 -3.33 0.00 0.00 175.10 171.09 1by3 s VAL 347 N 0.16 1.75 0.16 2.04 1.01 0.18 -1.17 120.40 124.53 1by3 s VAL 347 Ca -0.00 -1.29 0.09 0.00 0.00 0.00 0.00 61.98 60.77 1by3 s VAL 347 Cb -0.03 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.39 1by3 s VAL 347 CO 0.01 -0.02 -0.19 -0.62 0.00 0.00 0.00 175.10 174.28 1by3 s ASP 348 N 1.31 2.74 -0.30 3.32 2.15 -0.69 -0.41 116.67 124.78 1by3 s ASP 348 Ca -0.06 -0.85 -0.03 0.00 0.43 0.00 0.00 52.55 52.04 1by3 s ASP 348 Cb -0.19 -0.17 0.18 0.00 -0.30 0.00 0.00 42.92 42.45 1by3 s ASP 348 CO -0.06 -0.02 0.64 -0.62 -0.17 0.00 0.00 175.17 174.94 1by3 s ASP 349 N -2.63 -1.29 0.16 -0.34 -1.08 -1.17 -2.07 116.67 108.25 1by3 s ASP 349 Ca 0.16 0.97 0.08 0.00 -0.52 0.00 0.00 52.55 53.23 1by3 s ASP 349 Cb -0.06 2.15 -0.04 0.00 -1.46 0.00 0.00 42.92 43.50 1by3 s ASP 349 CO 0.07 -0.24 -0.16 -1.61 0.52 0.00 0.00 175.17 173.74 1by3 s GLU 350 N 2.87 1.20 -0.14 4.34 2.02 -0.23 -2.01 118.70 126.74 1by3 s GLU 350 Ca 0.15 -1.38 -0.04 0.00 0.02 0.00 0.00 54.97 53.72 1by3 s GLU 350 Cb -0.14 -1.16 0.05 0.00 0.10 0.00 0.00 34.13 32.98 1by3 s GLU 350 CO -0.20 0.23 0.07 0.21 0.02 0.00 0.00 175.26 175.59 1by3 s LYS 351 N -2.89 0.12 -0.05 1.61 2.20 -0.83 -2.61 119.74 117.29 1by3 s LYS 351 Ca 0.15 -0.01 0.01 0.00 -0.36 0.00 0.00 55.97 55.76 1by3 s LYS 351 Cb -0.05 -1.52 -0.03 0.00 -1.51 0.00 0.00 37.83 34.72 1by3 s LYS 351 CO 0.05 -0.57 -0.06 -1.17 -0.36 0.00 0.00 175.35 173.24 1by3 s LEU 352 N 2.11 3.22 -0.06 5.43 0.20 0.79 -0.79 118.68 129.58 1by3 s LEU 352 Ca 0.02 -0.03 0.03 0.00 0.69 0.00 0.00 54.13 54.84 1by3 s LEU 352 Cb -0.15 -1.74 0.01 0.00 -0.43 0.00 0.00 46.19 43.87 1by3 s LEU 352 CO -0.07 0.34 -0.15 -1.58 -0.29 0.00 0.00 176.35 174.60 1by3 s GLN 353 N -0.98 1.84 -0.01 1.98 0.74 -0.63 -0.69 119.66 121.91 1by3 s GLN 353 Ca 0.14 -0.52 0.01 0.00 0.05 0.00 0.00 55.36 55.04 1by3 s GLN 353 Cb -0.11 -1.52 0.01 0.00 1.10 0.00 0.00 33.01 32.49 1by3 s GLN 353 CO 0.03 0.11 -0.01 1.21 -0.55 0.00 0.00 175.29 176.08 1by3 s ASN 354 N 0.42 0.34 -0.06 6.67 3.04 0.77 -1.69 114.94 124.43 1by3 s ASN 354 Ca -0.11 -0.04 0.02 0.00 0.04 0.00 0.00 52.86 52.77 1by3 s ASN 354 Cb -0.14 -0.11 0.01 0.00 -1.54 0.00 0.00 41.25 39.47 1by3 s ASN 354 CO 0.04 -0.03 -0.11 0.12 -3.04 0.00 0.00 177.10 174.08 1by3 s PHE 355 N 0.42 1.38 -0.07 0.43 5.36 0.51 -0.71 117.98 125.30 1by3 s PHE 355 Ca -0.04 -0.50 -0.06 0.00 -0.96 0.00 0.00 56.93 55.37 1by3 s PHE 355 Cb -0.07 -1.02 0.02 0.00 -0.34 0.00 0.00 43.02 41.61 1by3 s PHE 355 CO -0.01 -0.26 0.19 -1.12 -1.46 0.00 0.00 175.22 172.55 1by3 s SER 356 N 0.67 -0.19 -0.03 6.13 0.01 -0.82 -0.24 113.70 119.24 1by3 s SER 356 Ca -0.14 0.38 -0.02 0.00 1.31 0.00 0.00 55.95 57.48 1by3 s SER 356 Cb -0.16 0.36 0.02 0.00 0.21 0.00 0.00 66.02 66.45 1by3 s SER 356 CO 0.03 -0.08 0.08 -0.69 0.41 0.00 0.00 173.24 172.99 1by3 s VAL 357 N 0.35 -0.03 -0.09 3.43 1.01 -0.86 -1.78 120.40 122.44 1by3 s VAL 357 Ca -0.02 0.10 -0.01 0.00 0.00 0.00 0.00 61.98 62.05 1by3 s VAL 357 Cb -0.03 -0.13 0.03 0.00 0.00 0.00 0.00 36.38 36.24 1by3 s VAL 357 CO -0.01 0.04 -0.03 -0.62 0.00 0.00 0.00 175.10 174.48 1by3 s ASP 358 N 0.60 1.82 -0.10 3.32 2.15 -0.28 -1.95 116.67 122.22 1by3 s ASP 358 Ca -0.05 -0.17 0.04 0.00 0.43 0.00 0.00 52.55 52.80 1by3 s ASP 358 Cb -0.07 -0.60 -0.00 0.00 -0.30 0.00 0.00 42.92 41.95 1by3 s ASP 358 CO -0.02 -0.16 -0.23 -0.89 -0.17 0.00 0.00 175.17 173.70 1by3 s THR 359 N 1.84 2.20 0.06 1.71 2.01 -0.47 -1.26 115.64 121.73 1by3 s THR 359 Ca 0.05 -0.97 0.06 0.00 0.31 0.00 0.00 61.69 61.13 1by3 s THR 359 Cb -0.12 -1.85 -0.03 0.00 0.01 0.00 0.00 72.50 70.51 1by3 s THR 359 CO -0.06 0.56 -0.16 -1.10 -0.69 0.00 0.00 174.62 173.16 1by3 s GLN 360 N 0.30 1.00 -0.15 4.92 -0.21 0.26 -1.53 119.66 124.25 1by3 s GLN 360 Ca -0.17 -0.89 0.01 0.00 0.02 0.00 0.00 55.36 54.33 1by3 s GLN 360 Cb -0.17 -1.06 0.00 0.00 1.00 0.00 0.00 33.01 32.78 1by3 s GLN 360 CO 0.08 0.26 -0.18 -1.17 -2.12 0.00 0.00 175.29 172.16 1by3 s LEU 361 N -1.40 2.33 -0.18 2.90 1.98 0.24 -1.65 118.68 122.90 1by3 s LEU 361 Ca 0.02 -0.53 -0.03 0.00 -2.89 0.00 0.00 54.13 50.71 1by3 s LEU 361 Cb -0.09 -1.52 -0.01 0.00 0.66 0.00 0.00 46.19 45.23 1by3 s LEU 361 CO 0.02 0.07 -0.07 -1.58 -1.89 0.00 0.00 176.35 172.90 1by3 s GLN 362 N 0.87 3.41 -0.12 1.98 0.74 -0.15 -2.12 119.66 124.26 1by3 s GLN 362 Ca -0.05 -0.64 0.03 0.00 0.05 0.00 0.00 55.36 54.76 1by3 s GLN 362 Cb -0.15 -2.87 0.01 0.00 1.10 0.00 0.00 33.01 31.10 1by3 s GLN 362 CO -0.02 -0.01 -0.22 -1.12 -0.55 0.00 0.00 175.29 173.37 1by3 s SER 363 N 0.98 3.05 -0.16 6.67 0.01 0.10 -2.09 113.70 122.25 1by3 s SER 363 Ca -0.01 -0.58 -0.02 0.00 1.31 0.00 0.00 55.95 56.66 1by3 s SER 363 Cb -0.15 -1.40 -0.01 0.00 0.21 0.00 0.00 66.02 64.67 1by3 s SER 363 CO -0.00 0.10 -0.10 -0.54 0.41 0.00 0.00 173.24 173.12 1by3 s LYS 364 N 0.67 3.40 0.32 12.44 1.02 -0.19 0.57 119.74 137.96 1by3 s LYS 364 Ca -0.11 -0.65 -0.16 0.00 0.02 0.00 0.00 55.97 55.07 1by3 s LYS 364 Cb -0.16 -2.78 0.03 0.00 -0.52 0.00 0.00 37.83 34.39 1by3 s LYS 364 CO 0.02 0.06 0.68 -0.59 -0.92 0.00 0.00 175.35 174.60 1by3 s PHE 365 N 0.76 0.15 0.33 3.18 -0.12 -0.93 -4.57 117.98 116.78 1by3 s PHE 365 Ca -0.04 -0.65 0.08 0.00 -0.05 0.00 0.00 56.93 56.28 1by3 s PHE 365 Cb -0.15 0.59 -0.06 0.00 -0.63 0.00 0.00 43.02 42.76 1by3 s PHE 365 CO 0.01 -1.31 -0.07 0.00 -0.05 0.00 0.00 175.22 173.80 1by3 s ALA 366 N -3.26 2.78 -0.44 1.99 0.00 -1.26 0.71 121.76 122.28 1by3 s ALA 366 Ca 0.17 -2.05 0.05 0.00 0.00 0.00 0.00 51.96 50.13 1by3 s ALA 366 Cb -0.04 0.06 0.17 0.00 0.00 0.00 0.00 23.12 23.31 1by3 s ALA 366 CO 0.10 0.01 0.53 0.95 0.00 0.00 0.00 175.76 177.36 1by3 s THR 367 N -2.75 -0.54 0.00 0.00 -4.23 -0.09 -4.95 115.64 103.07 1by3 s THR 367 Ca 0.32 -1.18 0.00 0.00 -1.18 0.00 0.00 61.69 59.65 1by3 s THR 367 Cb 0.04 -0.44 0.00 0.00 1.34 0.00 0.00 72.50 73.43 1by3 s THR 367 CO 0.15 -0.42 0.00 0.61 -0.54 0.00 0.00 174.62 174.42 1by3 n GLY 368 N 3.52 2.08 1.22 3.99 0.00 -1.26 -2.32 105.19 112.42 1by3 n GLY 368 Ca 0.18 -0.32 0.11 0.00 0.00 0.00 0.00 46.02 45.98 1by3 n GLY 368 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1by3 n ASP 369 N 9.54 3.76 -4.47 1.61 8.00 -1.26 -4.90 116.55 128.82 1by3 n ASP 369 Ca 0.00 -2.00 -0.37 0.00 0.71 0.00 0.00 54.79 53.13 1by3 n ASP 369 Cb 0.00 -0.43 -0.12 0.00 -0.02 0.00 0.00 41.12 40.55 1by3 n ASP 369 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1by3 s ILE 370 N -1.02 4.55 -0.15 0.53 1.09 -0.98 -4.41 121.20 120.81 1by3 s ILE 370 Ca 0.44 -0.16 -0.14 0.00 -1.10 0.00 0.00 60.65 59.69 1by3 s ILE 370 Cb 0.23 -3.18 -0.05 0.00 -1.06 0.00 0.00 42.46 38.41 1by3 s ILE 370 CO 0.30 0.27 0.33 -1.81 -0.10 0.00 0.00 174.94 173.93 1by3 s ASP 371 N 1.64 6.49 0.13 3.58 1.01 -0.83 -0.92 116.67 127.78 1by3 s ASP 371 Ca 0.06 0.58 0.07 0.00 0.71 0.00 0.00 52.55 53.96 1by3 s ASP 371 Cb -0.16 -2.20 -0.04 0.00 1.01 0.00 0.00 42.92 41.53 1by3 s ASP 371 CO 0.06 0.10 -0.05 -1.00 0.21 0.00 0.00 175.17 174.49 1by3 s HIS 372 N 0.40 2.82 -0.36 4.23 3.76 0.22 -1.39 115.29 124.98 1by3 s HIS 372 Ca 0.18 -0.13 0.01 0.00 -0.15 0.00 0.00 55.06 54.98 1by3 s HIS 372 Cb -0.13 -1.43 0.15 0.00 1.11 0.00 0.00 32.58 32.27 1by3 s HIS 372 CO 0.05 0.47 0.26 0.99 -0.85 0.00 0.00 174.74 175.67 1by3 s THR 373 N -1.43 0.03 -0.07 1.30 2.01 -1.23 -2.18 115.64 114.07 1by3 s THR 373 Ca 0.25 -1.59 -0.18 0.00 0.31 0.00 0.00 61.69 60.47 1by3 s THR 373 Cb -0.10 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.35 1by3 s THR 373 CO 0.16 -0.90 0.48 -0.22 -0.69 0.00 0.00 174.62 173.45 1by3 s LEU 374 N 1.09 4.35 -0.08 4.42 2.96 0.19 -1.91 118.68 129.70 1by3 s LEU 374 Ca 0.19 0.91 0.02 0.00 -0.22 0.00 0.00 54.13 55.03 1by3 s LEU 374 Cb -0.19 -2.71 0.01 0.00 0.50 0.00 0.00 46.19 43.80 1by3 s LEU 374 CO -0.01 0.09 -0.15 -0.22 -1.32 0.00 0.00 176.35 174.74 1by3 s LEU 375 N 0.09 1.72 -0.02 -0.68 2.96 0.20 0.01 118.68 122.96 1by3 s LEU 375 Ca 0.26 -0.38 0.01 0.00 -0.22 0.00 0.00 54.13 53.80 1by3 s LEU 375 Cb -0.16 -0.99 0.02 0.00 0.50 0.00 0.00 46.19 45.55 1by3 s LEU 375 CO 0.12 0.04 -0.02 0.42 -1.32 0.00 0.00 176.35 175.59 1by3 s THR 376 N 0.73 0.28 0.18 3.68 -4.23 -0.90 0.49 115.64 115.87 1by3 s THR 376 Ca -0.13 -0.04 -0.16 0.00 -1.18 0.00 0.00 61.69 60.19 1by3 s THR 376 Cb -0.16 -0.31 0.02 0.00 1.34 0.00 0.00 72.50 73.39 1by3 s THR 376 CO 0.03 0.14 0.46 -0.83 -0.54 0.00 0.00 174.62 173.87 1by3 s GLY 377 N 0.59 -0.00 -0.10 3.99 0.00 -0.02 -0.59 107.32 111.19 1by3 s GLY 377 Ca -0.06 -0.33 0.02 0.00 0.00 0.00 0.00 44.72 44.35 1by3 s GLY 377 CO -0.01 -0.38 -0.17 0.14 0.00 0.00 0.00 173.10 172.68 1by3 s VAL 378 N -3.88 2.75 -0.10 1.40 1.01 -0.58 -1.19 120.40 119.81 1by3 s VAL 378 Ca 0.10 -0.79 -0.02 0.00 0.00 0.00 0.00 61.98 61.26 1by3 s VAL 378 Cb 0.00 -2.10 0.04 0.00 0.00 0.00 0.00 36.38 34.32 1by3 s VAL 378 CO -0.03 0.55 0.03 -0.62 0.00 0.00 0.00 175.10 175.02 1by3 s ASP 379 N 0.03 1.81 0.07 3.32 2.15 0.89 -1.37 116.67 123.57 1by3 s ASP 379 Ca -0.06 -0.24 0.02 0.00 0.43 0.00 0.00 52.55 52.71 1by3 s ASP 379 Cb -0.15 -0.39 -0.03 0.00 -0.30 0.00 0.00 42.92 42.05 1by3 s ASP 379 CO 0.05 -0.24 -0.08 0.72 -0.17 0.00 0.00 175.17 175.45 1by3 s PHE 380 N 2.00 0.82 -0.06 -5.34 -0.71 -0.82 0.65 117.98 114.52 1by3 s PHE 380 Ca 0.04 -0.64 -0.10 0.00 -1.04 0.00 0.00 56.93 55.19 1by3 s PHE 380 Cb -0.13 -0.48 0.02 0.00 -1.21 0.00 0.00 43.02 41.22 1by3 s PHE 380 CO -0.06 -0.08 0.25 0.00 -1.34 0.00 0.00 175.22 173.99 1by3 s MET 381 N -2.41 0.42 -0.06 1.99 0.23 0.81 -2.03 119.30 118.25 1by3 s MET 381 Ca -0.01 0.08 -0.01 0.00 -1.03 0.00 0.00 55.69 54.72 1by3 s MET 381 Cb -0.05 0.19 0.03 0.00 -1.53 0.00 0.00 34.83 33.47 1by3 s MET 381 CO -0.01 -0.09 -0.01 1.03 -2.03 0.00 0.00 175.02 173.91 1by3 s ARG 382 N -0.50 0.63 0.06 3.16 0.52 0.67 -1.82 118.95 121.68 1by3 s ARG 382 Ca -0.06 0.05 0.03 0.00 -0.52 0.00 0.00 55.73 55.23 1by3 s ARG 382 Cb -0.04 -0.88 -0.03 0.00 0.52 0.00 0.00 34.95 34.52 1by3 s ARG 382 CO 0.01 -0.23 -0.09 0.00 0.02 0.00 0.00 175.30 175.01 1by3 s MET 383 N 1.60 0.68 -0.10 3.54 0.23 -1.07 -0.36 119.30 123.81 1by3 s MET 383 Ca -0.01 -0.93 -0.04 0.00 -1.03 0.00 0.00 55.69 53.68 1by3 s MET 383 Cb -0.13 -0.44 0.05 0.00 -1.53 0.00 0.00 34.83 32.78 1by3 s MET 383 CO -0.04 0.08 0.21 -0.98 -2.03 0.00 0.00 175.02 172.27 1by3 s ARG 384 N -2.08 0.11 -0.09 3.16 1.04 -0.68 -1.60 118.95 118.81 1by3 s ARG 384 Ca -0.03 0.61 0.01 0.00 -1.04 0.00 0.00 55.73 55.28 1by3 s ARG 384 Cb -0.07 -0.14 -0.02 0.00 -2.04 0.00 0.00 34.95 32.68 1by3 s ARG 384 CO 0.00 -0.26 -0.13 1.21 -0.04 0.00 0.00 175.30 176.08 1by3 s ASN 385 N 2.05 4.07 -0.39 -2.89 3.04 0.63 -1.60 114.94 119.85 1by3 s ASN 385 Ca -0.01 -0.25 -0.04 0.00 0.04 0.00 0.00 52.86 52.59 1by3 s ASN 385 Cb -0.12 -1.28 0.09 0.00 -1.54 0.00 0.00 41.25 38.40 1by3 s ASN 385 CO -0.07 0.25 0.18 -0.62 -3.04 0.00 0.00 177.10 173.79 1by3 s ASP 386 N -0.16 5.28 -0.13 -4.21 2.15 0.03 -0.69 116.67 118.95 1by3 s ASP 386 Ca -0.00 -1.72 -0.11 0.00 0.43 0.00 0.00 52.55 51.15 1by3 s ASP 386 Cb -0.13 -1.85 -0.05 0.00 -0.30 0.00 0.00 42.92 40.59 1by3 s ASP 386 CO 0.03 -0.48 0.21 -0.63 -0.17 0.00 0.00 175.17 174.13 1by3 s ILE 387 N 1.24 5.37 -0.38 4.11 1.01 0.50 -1.97 121.20 131.07 1by3 s ILE 387 Ca 0.04 0.38 0.01 0.00 0.00 0.00 0.00 60.65 61.08 1by3 s ILE 387 Cb -0.22 -3.52 0.15 0.00 0.01 0.00 0.00 42.46 38.88 1by3 s ILE 387 CO -0.02 0.51 0.25 0.21 0.00 0.00 0.00 174.94 175.90 1by3 s ASN 388 N -0.32 2.69 0.45 3.58 3.04 -0.85 -2.14 114.94 121.39 1by3 s ASN 388 Ca 0.15 -2.50 0.01 0.00 0.04 0.00 0.00 52.86 50.56 1by3 s ASN 388 Cb -0.13 -0.51 0.01 0.00 -1.54 0.00 0.00 41.25 39.09 1by3 s ASN 388 CO 0.04 -0.26 0.10 0.00 -3.04 0.00 0.00 177.10 173.93 1by3 n ALA 389 N 3.63 0.47 -3.56 1.71 0.00 0.04 -3.02 120.51 119.78 1by3 n ALA 389 Ca 0.16 -1.95 -0.01 0.00 0.00 0.00 0.00 53.44 51.64 1by3 n ALA 389 Cb 0.39 0.99 -0.04 0.00 0.00 0.00 0.00 19.45 20.80 1by3 n ALA 389 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 1by3 s TRP 390 N -2.51 -1.32 -0.00 0.00 -0.11 0.45 -2.01 118.94 113.44 1by3 s TRP 390 Ca 0.07 2.11 0.03 0.00 1.22 0.00 0.00 56.10 59.54 1by3 s TRP 390 Cb -0.01 0.70 -0.03 0.00 -1.50 0.00 0.00 33.47 32.63 1by3 s TRP 390 CO 0.05 -0.69 -0.05 -0.06 -4.62 0.00 0.00 176.95 171.58 1by3 s PHE 391 N 2.85 2.93 -0.15 5.86 0.40 -0.92 -0.65 117.98 128.30 1by3 s PHE 391 Ca -0.01 -0.01 -0.10 0.00 -0.60 0.00 0.00 56.93 56.22 1by3 s PHE 391 Cb -0.13 -1.62 -0.05 0.00 0.51 0.00 0.00 43.02 41.73 1by3 s PHE 391 CO -0.19 0.39 0.17 0.20 0.70 0.00 0.00 175.22 176.49 1by3 s GLY 392 N -1.41 2.13 0.00 4.36 0.00 -0.62 -2.48 107.32 109.30 1by3 s GLY 392 Ca 0.17 -0.61 0.00 0.00 0.00 0.00 0.00 44.72 44.28 1by3 s GLY 392 CO 0.08 -0.02 0.00 -1.72 0.00 0.00 0.00 173.10 171.44 1by3 n TYR 393 N 2.84 0.00 -1.60 1.90 4.01 0.17 -4.23 117.16 120.25 1by3 n TYR 393 Ca -0.17 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.17 1by3 n TYR 393 Cb 0.53 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.58 1by3 n TYR 393 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1by3 n ASP 394 N 0.00 0.97 -3.31 7.72 9.92 -1.26 -2.68 116.55 127.91 1by3 n ASP 394 Ca 0.00 0.97 -0.24 0.00 -0.53 0.00 0.00 54.79 54.99 1by3 n ASP 394 Cb 0.00 -1.34 0.01 0.00 -0.64 0.00 0.00 41.12 39.15 1by3 n ASP 394 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1by3 n ASP 395 N 0.28 -4.51 -0.38 -2.24 8.00 -1.26 -4.86 116.55 111.57 1by3 n ASP 395 Ca 0.10 -0.39 0.12 0.00 0.71 0.00 0.00 54.79 55.33 1by3 n ASP 395 Cb 0.41 -3.69 0.22 0.00 -0.02 0.00 0.00 41.12 38.05 1by3 n ASP 395 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1by3 n SER 396 N -2.41 1.52 -3.71 -2.24 3.41 -1.09 -4.89 113.62 104.21 1by3 n SER 396 Ca -0.04 -1.21 -0.13 0.00 -0.26 0.00 0.00 58.87 57.23 1by3 n SER 396 Cb 0.56 0.26 -0.09 0.00 -0.26 0.00 0.00 64.21 64.68 1by3 n SER 396 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1by3 s VAL 397 N -2.45 -0.00 0.21 -3.33 0.11 -1.26 -4.93 120.40 108.75 1by3 s VAL 397 Ca 0.23 0.01 -0.32 0.00 -2.93 0.00 0.00 61.98 58.97 1by3 s VAL 397 Cb 0.19 -0.67 -0.15 0.00 -1.53 0.00 0.00 36.38 34.22 1by3 s VAL 397 CO 0.52 0.01 1.23 -0.81 -3.33 0.00 0.00 175.10 172.72 1by3 n PRO 398 N 3.07 1.49 -0.74 1.54 -0.04 -1.26 -4.47 135.00 134.59 1by3 n PRO 398 Ca -0.15 0.53 -0.32 0.00 -0.04 0.00 0.00 63.50 63.52 1by3 n PRO 398 Cb 0.57 -2.07 0.15 0.00 -0.04 0.00 0.00 33.50 32.10 1by3 n PRO 398 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1by3 n LEU 399 N 1.98 -0.90 -4.08 1.53 4.77 -1.26 -4.78 117.00 114.26 1by3 n LEU 399 Ca 0.13 0.15 -0.31 0.00 -0.03 0.00 0.00 56.01 55.95 1by3 n LEU 399 Cb 0.28 -1.13 -0.16 0.00 -2.33 0.00 0.00 43.42 40.08 1by3 n LEU 399 CO 0.61 -3.38 -0.51 -0.22 -1.33 0.00 0.00 177.39 172.56 1by3 s LEU 400 N -1.56 1.90 -0.65 2.23 1.98 -0.64 -4.98 118.68 116.96 1by3 s LEU 400 Ca 0.57 -0.55 -0.28 0.00 -2.89 0.00 0.00 54.13 50.98 1by3 s LEU 400 Cb -0.18 -1.31 0.02 0.00 0.66 0.00 0.00 46.19 45.38 1by3 s LEU 400 CO 0.67 -0.01 1.30 0.21 -1.89 0.00 0.00 176.35 176.63 1by3 s ASN 401 N 1.27 6.21 0.43 3.68 3.84 -1.26 -1.00 114.94 128.11 1by3 s ASN 401 Ca 0.02 -0.09 0.15 0.00 0.21 0.00 0.00 52.86 53.15 1by3 s ASN 401 Cb -0.13 -2.55 1.04 0.00 -0.55 0.00 0.00 41.25 39.05 1by3 s ASN 401 CO -0.09 -1.72 1.95 -0.07 -2.79 0.00 0.00 177.10 174.38 1by3 h LEU 402 N 12.84 0.38 -0.99 3.21 3.38 -1.62 0.59 115.31 133.10 1by3 h LEU 402 Ca -0.27 0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.61 1by3 h LEU 402 Cb 1.07 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 1by3 h LEU 402 CO 1.23 0.21 -0.48 1.88 0.09 0.00 0.00 178.44 181.37 1by3 h TYR 403 N 0.42 0.07 -1.53 1.13 0.05 -1.90 -3.37 116.97 111.83 1by3 h TYR 403 Ca 0.32 -0.02 -0.42 0.00 0.05 0.00 0.00 58.73 58.67 1by3 h TYR 403 Cb 0.69 -0.01 -0.29 0.00 1.01 0.00 0.00 36.73 38.13 1by3 h TYR 403 CO -0.00 0.53 -0.81 -1.71 -1.05 0.00 0.00 178.16 175.11 1by3 n ASN 404 N -3.96 -1.44 -4.76 3.88 2.85 -0.50 -5.14 115.26 106.19 1by3 n ASN 404 Ca -0.02 -2.75 -0.38 0.00 -0.11 0.00 0.00 54.58 51.32 1by3 n ASN 404 Cb 0.51 0.38 0.00 0.00 1.24 0.00 0.00 39.78 41.91 1by3 n ASN 404 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1by3 s PRO 405 N 0.03 3.71 -0.25 1.20 0.04 0.08 -4.56 135.00 135.25 1by3 s PRO 405 Ca 0.33 2.02 -0.02 0.00 0.04 0.00 0.00 61.00 63.37 1by3 s PRO 405 Cb 0.10 -2.52 0.08 0.00 0.04 0.00 0.00 34.50 32.20 1by3 s PRO 405 CO -0.15 -0.66 0.08 0.08 0.04 0.00 0.00 177.00 176.39 1by3 s VAL 406 N -1.38 0.49 -0.26 -0.36 1.01 -1.26 -5.03 120.40 113.60 1by3 s VAL 406 Ca 0.62 -0.88 -0.29 0.00 0.00 0.00 0.00 61.98 61.44 1by3 s VAL 406 Cb -0.35 -1.22 0.01 0.00 0.00 0.00 0.00 36.38 34.82 1by3 s VAL 406 CO 0.43 -0.49 1.05 0.54 0.00 0.00 0.00 175.10 176.63 1by3 s ASN 407 N 1.84 7.03 0.33 3.32 2.20 -1.26 -5.02 114.94 123.38 1by3 s ASN 407 Ca 0.05 1.26 0.04 0.00 -0.94 0.00 0.00 52.86 53.26 1by3 s ASN 407 Cb -0.17 -2.54 -0.04 0.00 -2.00 0.00 0.00 41.25 36.51 1by3 s ASN 407 CO -0.20 -0.74 0.15 0.42 -2.94 0.00 0.00 177.10 173.79 1by3 s THR 408 N 3.35 0.41 0.55 0.54 -4.23 -1.26 -4.80 115.64 110.19 1by3 s THR 408 Ca 0.44 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.79 1by3 s THR 408 Cb -0.14 -2.50 -0.06 0.00 1.34 0.00 0.00 72.50 71.14 1by3 s THR 408 CO 0.09 0.00 1.02 -1.81 -0.54 0.00 0.00 174.62 173.38 1by3 s ASP 409 N -3.43 6.28 -0.02 3.99 1.01 -1.26 -0.63 116.67 122.61 1by3 s ASP 409 Ca 0.34 1.67 0.06 0.00 0.71 0.00 0.00 52.55 55.34 1by3 s ASP 409 Cb 0.05 -2.52 -0.02 0.00 1.01 0.00 0.00 42.92 41.44 1by3 s ASP 409 CO 0.17 -0.82 -0.21 0.12 0.21 0.00 0.00 175.17 174.64 1by3 s PHE 410 N -2.55 1.91 -0.85 4.23 5.36 -1.26 -4.89 117.98 119.93 1by3 s PHE 410 Ca 0.61 -0.37 -0.23 0.00 -0.96 0.00 0.00 56.93 55.98 1by3 s PHE 410 Cb -0.12 -1.23 0.06 0.00 -0.34 0.00 0.00 43.02 41.39 1by3 s PHE 410 CO 0.33 -0.04 1.24 0.34 -1.46 0.00 0.00 175.22 175.64 1by3 s ASP 411 N -0.48 6.36 0.33 6.13 -1.08 -1.26 -4.82 116.67 121.84 1by3 s ASP 411 Ca 0.08 -1.18 0.26 0.00 -0.52 0.00 0.00 52.55 51.20 1by3 s ASP 411 Cb -0.08 -2.50 1.01 0.00 -1.46 0.00 0.00 42.92 39.88 1by3 s ASP 411 CO -0.01 -1.51 1.78 -0.26 0.52 0.00 0.00 175.17 175.69 1by3 h PHE 412 N 9.64 0.00 0.09 -5.34 0.04 -1.99 -3.27 116.94 116.10 1by3 h PHE 412 Ca -0.05 0.00 -0.25 0.00 2.80 0.00 0.00 57.97 60.47 1by3 h PHE 412 Cb 1.04 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.18 1by3 h PHE 412 CO 1.15 0.00 -1.30 -0.91 -0.60 0.00 0.00 178.31 176.66 1by3 h ASN 413 N 0.00 0.28 -1.42 2.17 2.35 -2.05 -3.42 115.58 113.49 1by3 h ASN 413 Ca 0.00 -0.81 -0.38 0.00 -0.55 0.00 0.00 56.30 54.56 1by3 h ASN 413 Cb 0.50 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.78 1by3 h ASN 413 CO 0.00 1.56 1.30 0.00 -1.65 0.00 0.00 177.43 178.64 1by3 s ALA 414 N -2.44 1.53 -0.52 -0.83 0.00 -1.24 -4.85 121.76 113.41 1by3 s ALA 414 Ca -0.22 -0.25 0.04 0.00 0.00 0.00 0.00 51.96 51.54 1by3 s ALA 414 Cb 0.04 -4.39 0.14 0.00 0.00 0.00 0.00 23.12 18.91 1by3 s ALA 414 CO 0.73 -4.67 0.29 -1.59 0.00 0.00 0.00 175.76 170.52 1by3 s LYS 415 N 8.20 1.81 0.07 0.00 -2.85 -1.26 -4.97 119.74 120.74 1by3 s LYS 415 Ca 0.92 -2.54 -0.24 0.00 -1.00 0.00 0.00 55.97 53.11 1by3 s LYS 415 Cb -0.15 -2.99 -0.06 0.00 -2.06 0.00 0.00 37.83 32.57 1by3 s LYS 415 CO 0.21 -1.16 0.74 0.16 0.10 0.00 0.00 175.35 175.41 1by3 s ASP 416 N -0.27 7.23 0.00 0.03 -4.77 -1.26 -4.92 116.67 112.71 1by3 s ASP 416 Ca 0.19 1.46 0.00 0.00 -3.30 0.00 0.00 52.55 50.90 1by3 s ASP 416 Cb -0.21 -2.46 0.00 0.00 -1.09 0.00 0.00 42.92 39.16 1by3 s ASP 416 CO -0.03 0.09 0.68 -2.65 0.70 0.00 0.00 175.17 173.95 1by3 n PRO 417 N 2.44 0.00 -0.01 2.11 -0.02 -1.25 -1.81 135.00 136.46 1by3 n PRO 417 Ca -0.04 0.23 -0.09 0.00 -2.02 0.00 0.00 63.50 61.58 1by3 n PRO 417 Cb 0.50 -1.60 0.06 0.00 -0.02 0.00 0.00 33.50 32.43 1by3 n PRO 417 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1by3 h ALA 418 N 1.39 0.71 0.00 3.55 0.00 -2.03 -3.36 119.26 119.52 1by3 h ALA 418 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1by3 h ALA 418 Cb 0.20 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1by3 h ALA 418 CO 0.00 0.68 0.00 0.27 0.00 0.00 0.00 179.25 180.20 1by3 n ASN 419 N -3.98 0.73 -3.73 0.00 0.23 -0.75 -5.05 115.26 102.70 1by3 n ASN 419 Ca -0.03 -1.29 -0.14 0.00 -0.53 0.00 0.00 54.58 52.59 1by3 n ASN 419 Cb 0.58 0.00 -0.09 0.00 -2.08 0.00 0.00 39.78 38.19 1by3 n ASN 419 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 1by3 s SER 420 N -0.29 -0.32 0.19 0.53 1.04 -0.95 0.42 113.70 114.32 1by3 s SER 420 Ca 0.00 0.44 0.01 0.00 0.48 0.00 0.00 55.95 56.88 1by3 s SER 420 Cb 0.00 0.54 -0.05 0.00 0.10 0.00 0.00 66.02 66.62 1by3 s SER 420 CO 0.00 -0.33 0.06 -0.83 0.98 0.00 0.00 173.24 173.12 1by3 s GLY 421 N -0.65 1.36 0.56 7.32 0.00 -1.03 -3.79 107.32 111.08 1by3 s GLY 421 Ca -0.07 -1.66 -0.05 0.00 0.00 0.00 0.00 44.72 42.93 1by3 s GLY 421 CO 0.03 -1.50 0.86 2.56 0.00 0.00 0.00 173.10 175.06 1by3 s PRO 422 N -4.01 3.09 -0.31 2.90 0.04 -1.26 -2.16 135.00 133.29 1by3 s PRO 422 Ca 0.30 0.03 -0.01 0.00 0.04 0.00 0.00 61.00 61.36 1by3 s PRO 422 Cb 0.07 -2.31 0.13 0.00 0.04 0.00 0.00 34.50 32.43 1by3 s PRO 422 CO 0.07 -0.55 0.25 -0.47 0.04 0.00 0.00 177.00 176.34 1by3 s TYR 423 N -2.91 -0.06 -0.29 0.56 5.04 -0.85 -4.85 117.35 113.98 1by3 s TYR 423 Ca 0.52 -0.66 0.02 0.00 -2.44 0.00 0.00 57.07 54.52 1by3 s TYR 423 Cb -0.10 -0.64 0.08 0.00 0.35 0.00 0.00 41.96 41.65 1by3 s TYR 423 CO 0.45 -0.89 -0.01 1.03 -1.34 0.00 0.00 175.55 174.79 1by3 s ARG 424 N 1.99 1.63 0.13 4.97 0.52 -1.26 -0.78 118.95 126.15 1by3 s ARG 424 Ca 0.11 -1.45 0.08 0.00 -0.52 0.00 0.00 55.73 53.96 1by3 s ARG 424 Cb -0.16 -2.85 -0.04 0.00 0.52 0.00 0.00 34.95 32.42 1by3 s ARG 424 CO -0.26 -0.77 -0.20 0.42 0.02 0.00 0.00 175.30 174.51 1by3 s ILE 425 N 1.14 1.78 -0.24 1.52 -1.09 -0.91 -1.44 121.20 121.96 1by3 s ILE 425 Ca 0.02 -1.72 0.00 0.00 -2.23 0.00 0.00 60.65 56.72 1by3 s ILE 425 Cb -0.19 -1.70 0.07 0.00 -1.58 0.00 0.00 42.46 39.05 1by3 s ILE 425 CO -0.09 -0.17 -0.02 -0.22 -1.23 0.00 0.00 174.94 173.21 1by3 s LEU 426 N -2.26 2.43 -0.14 2.97 0.20 -0.89 -0.37 118.68 120.61 1by3 s LEU 426 Ca 0.11 -1.22 -0.11 0.00 0.69 0.00 0.00 54.13 53.60 1by3 s LEU 426 Cb -0.08 -1.07 -0.05 0.00 -0.43 0.00 0.00 46.19 44.56 1by3 s LEU 426 CO 0.05 -0.28 0.22 0.20 -0.29 0.00 0.00 176.35 176.25 1by3 s ASN 427 N 1.47 6.40 -0.10 3.68 -0.87 0.13 -2.01 114.94 123.65 1by3 s ASN 427 Ca -0.02 0.46 0.02 0.00 -1.57 0.00 0.00 52.86 51.75 1by3 s ASN 427 Cb -0.18 -2.13 0.01 0.00 -0.02 0.00 0.00 41.25 38.93 1by3 s ASN 427 CO -0.09 0.23 -0.15 -0.54 -2.57 0.00 0.00 177.10 173.99 1by3 s LYS 428 N -0.13 2.10 0.20 -0.60 1.02 -0.36 -0.27 119.74 121.70 1by3 s LYS 428 Ca 0.14 -0.53 0.10 0.00 0.02 0.00 0.00 55.97 55.71 1by3 s LYS 428 Cb -0.13 -1.77 -0.04 0.00 -0.52 0.00 0.00 37.83 35.37 1by3 s LYS 428 CO 0.03 -0.03 -0.20 -0.65 -0.92 0.00 0.00 175.35 173.58 1by3 s GLN 429 N 0.88 1.44 -0.24 1.68 -0.21 -0.63 -1.08 119.66 121.51 1by3 s GLN 429 Ca -0.09 -1.53 -0.22 0.00 0.02 0.00 0.00 55.36 53.54 1by3 s GLN 429 Cb -0.15 -1.58 0.06 0.00 1.00 0.00 0.00 33.01 32.34 1by3 s GLN 429 CO 0.00 0.32 0.63 0.21 -2.12 0.00 0.00 175.29 174.33 1by3 s LYS 430 N -2.96 0.73 -0.17 2.91 2.20 0.24 -2.60 119.74 120.09 1by3 s LYS 430 Ca 0.21 0.88 -0.09 0.00 -0.36 0.00 0.00 55.97 56.62 1by3 s LYS 430 Cb -0.06 0.35 0.06 0.00 -1.51 0.00 0.00 37.83 36.67 1by3 s LYS 430 CO 0.09 -0.09 0.40 -1.14 -0.36 0.00 0.00 175.35 174.25 1by3 s GLN 431 N 0.38 0.36 -0.05 4.03 0.74 -0.75 -1.45 119.66 122.92 1by3 s GLN 431 Ca -0.00 0.80 0.03 0.00 0.05 0.00 0.00 55.36 56.23 1by3 s GLN 431 Cb -0.04 0.01 0.01 0.00 1.10 0.00 0.00 33.01 34.08 1by3 s GLN 431 CO 0.00 -0.17 -0.14 0.99 -0.55 0.00 0.00 175.29 175.42 1by3 s THR 432 N 1.55 1.21 0.01 -0.34 2.01 -0.94 -0.14 115.64 119.00 1by3 s THR 432 Ca -0.08 -0.56 -0.05 0.00 0.31 0.00 0.00 61.69 61.31 1by3 s THR 432 Cb -0.09 -1.07 -0.01 0.00 0.01 0.00 0.00 72.50 71.34 1by3 s THR 432 CO -0.12 0.36 0.07 -0.83 -0.69 0.00 0.00 174.62 173.41 1by3 s GLY 433 N 0.36 0.13 -0.04 4.40 0.00 0.21 -1.04 107.32 111.33 1by3 s GLY 433 Ca -0.09 -0.34 0.06 0.00 0.00 0.00 0.00 44.72 44.35 1by3 s GLY 433 CO 0.03 -0.45 -0.22 0.14 0.00 0.00 0.00 173.10 172.60 1by3 s VAL 434 N -1.53 1.81 0.01 1.40 1.01 -0.79 -0.07 120.40 122.24 1by3 s VAL 434 Ca -0.14 -0.94 -0.07 0.00 0.00 0.00 0.00 61.98 60.83 1by3 s VAL 434 Cb -0.08 -1.53 -0.00 0.00 0.00 0.00 0.00 36.38 34.77 1by3 s VAL 434 CO 0.00 0.51 0.12 -0.72 0.00 0.00 0.00 175.10 175.01 1by3 s TYR 435 N -0.19 0.07 0.01 5.22 1.13 -0.33 -1.48 117.35 121.79 1by3 s TYR 435 Ca -0.01 -0.20 0.02 0.00 -1.41 0.00 0.00 57.07 55.47 1by3 s TYR 435 Cb -0.12 -0.07 -0.01 0.00 -1.10 0.00 0.00 41.96 40.66 1by3 s TYR 435 CO 0.02 -0.29 -0.07 0.54 -2.51 0.00 0.00 175.55 173.25 1by3 s VAL 436 N -1.50 0.52 -0.18 -3.49 0.11 -0.58 -0.84 120.40 114.44 1by3 s VAL 436 Ca -0.14 -0.56 -0.16 0.00 -2.93 0.00 0.00 61.98 58.19 1by3 s VAL 436 Cb -0.07 -0.50 0.05 0.00 -1.53 0.00 0.00 36.38 34.33 1by3 s VAL 436 CO 0.01 -0.04 0.47 -1.58 -3.33 0.00 0.00 175.10 170.63 1by3 s GLN 437 N -0.67 0.54 0.01 1.54 0.74 0.18 -1.07 119.66 120.94 1by3 s GLN 437 Ca -0.02 0.68 0.06 0.00 0.05 0.00 0.00 55.36 56.13 1by3 s GLN 437 Cb -0.05 0.24 -0.02 0.00 1.10 0.00 0.00 33.01 34.28 1by3 s GLN 437 CO 0.00 -0.07 -0.19 0.34 -0.55 0.00 0.00 175.29 174.82 1by3 s ASP 438 N 0.36 2.22 -0.68 6.67 -1.08 0.48 0.59 116.67 125.24 1by3 s ASP 438 Ca -0.01 -0.42 0.05 0.00 -0.52 0.00 0.00 52.55 51.65 1by3 s ASP 438 Cb -0.04 -0.21 0.17 0.00 -1.46 0.00 0.00 42.92 41.38 1by3 s ASP 438 CO -0.01 0.18 0.47 -1.10 0.52 0.00 0.00 175.17 175.24 1by3 s GLN 439 N -0.80 2.36 -0.07 4.34 -0.21 -0.80 -1.90 119.66 122.58 1by3 s GLN 439 Ca 0.07 -3.25 -0.27 0.00 0.02 0.00 0.00 55.36 51.93 1by3 s GLN 439 Cb -0.08 -3.32 -0.03 0.00 1.00 0.00 0.00 33.01 30.59 1by3 s GLN 439 CO 0.00 -1.28 0.86 0.00 -2.12 0.00 0.00 175.29 172.75 1by3 s ALA 440 N -1.32 3.33 -0.11 6.09 0.00 -0.86 -3.48 121.76 125.42 1by3 s ALA 440 Ca 0.25 0.27 0.01 0.00 0.00 0.00 0.00 51.96 52.49 1by3 s ALA 440 Cb -0.05 -3.20 0.02 0.00 0.00 0.00 0.00 23.12 19.89 1by3 s ALA 440 CO -0.16 -0.33 -0.13 -1.14 0.00 0.00 0.00 175.76 174.00 1by3 s GLN 441 N 1.32 1.99 -0.25 0.00 0.74 -0.48 -1.17 119.66 121.82 1by3 s GLN 441 Ca 0.44 -0.47 0.02 0.00 0.05 0.00 0.00 55.36 55.39 1by3 s GLN 441 Cb -0.19 -1.76 0.05 0.00 1.10 0.00 0.00 33.01 32.21 1by3 s GLN 441 CO 0.20 -0.10 -0.11 -0.46 -0.55 0.00 0.00 175.29 174.27 1by3 s TRP 442 N 1.11 3.16 0.00 1.67 -0.00 -0.78 -1.96 118.94 122.14 1by3 s TRP 442 Ca -0.05 -2.09 0.00 0.00 -0.00 0.00 0.00 56.10 53.97 1by3 s TRP 442 Cb -0.14 -1.96 0.00 0.00 -0.00 0.00 0.00 33.47 31.37 1by3 s TRP 442 CO -0.03 -0.84 0.00 -3.47 -0.00 0.00 0.00 176.95 172.61 1by3 n ASP 443 N 4.51 0.00 -0.63 5.86 -0.08 -1.26 -0.89 116.55 124.06 1by3 n ASP 443 Ca -0.15 0.00 0.06 0.00 -1.51 0.00 0.00 54.79 53.18 1by3 n ASP 443 Cb 0.44 0.00 0.16 0.00 2.34 0.00 0.00 41.12 44.06 1by3 n ASP 443 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1by3 n LYS 444 N 0.00 2.88 -4.18 -0.67 5.02 -1.26 -4.97 118.16 114.98 1by3 n LYS 444 Ca 0.00 -2.14 -0.35 0.00 -2.02 0.00 0.00 58.31 53.79 1by3 n LYS 444 Cb 0.00 -1.34 -0.08 0.00 -0.02 0.00 0.00 35.03 33.58 1by3 n LYS 444 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1by3 s VAL 445 N -1.31 4.73 -0.08 -0.18 1.01 -0.06 -0.97 120.40 123.54 1by3 s VAL 445 Ca 0.25 -0.08 0.01 0.00 0.00 0.00 0.00 61.98 62.16 1by3 s VAL 445 Cb 0.15 -3.03 0.02 0.00 0.00 0.00 0.00 36.38 33.51 1by3 s VAL 445 CO 0.13 0.59 -0.11 -0.22 0.00 0.00 0.00 175.10 175.50 1by3 s LEU 446 N -0.76 1.49 -0.19 3.92 2.96 0.30 -1.87 118.68 124.52 1by3 s LEU 446 Ca 0.12 -0.30 0.01 0.00 -0.22 0.00 0.00 54.13 53.74 1by3 s LEU 446 Cb -0.12 -0.83 0.02 0.00 0.50 0.00 0.00 46.19 45.76 1by3 s LEU 446 CO 0.03 -0.02 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.16 1by3 s VAL 447 N 1.04 2.17 -0.27 1.68 1.01 -0.31 -0.71 120.40 125.01 1by3 s VAL 447 Ca -0.07 -0.92 -0.09 0.00 0.00 0.00 0.00 61.98 60.90 1by3 s VAL 447 Cb -0.15 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 1by3 s VAL 447 CO -0.01 0.52 0.13 -0.89 0.00 0.00 0.00 175.10 174.85 1by3 s THR 448 N 1.30 4.77 -0.04 3.92 2.01 -0.18 -2.03 115.64 125.39 1by3 s THR 448 Ca 0.05 -0.03 0.01 0.00 0.31 0.00 0.00 61.69 62.03 1by3 s THR 448 Cb -0.13 -3.26 0.02 0.00 0.01 0.00 0.00 72.50 69.14 1by3 s THR 448 CO -0.12 0.29 -0.03 -0.22 -0.69 0.00 0.00 174.62 173.85 1by3 s LEU 449 N 1.68 1.30 0.07 4.42 1.98 -0.80 -0.91 118.68 126.43 1by3 s LEU 449 Ca 0.07 -0.09 -0.26 0.00 -2.89 0.00 0.00 54.13 50.95 1by3 s LEU 449 Cb -0.16 -0.37 0.08 0.00 0.66 0.00 0.00 46.19 46.41 1by3 s LEU 449 CO 0.07 -0.06 0.70 -0.83 -1.89 0.00 0.00 176.35 174.34 1by3 s GLY 450 N 0.91 -0.56 0.09 7.98 0.00 -0.72 -0.39 107.32 114.64 1by3 s GLY 450 Ca -0.11 0.81 -0.09 0.00 0.00 0.00 0.00 44.72 45.33 1by3 s GLY 450 CO -0.00 0.35 0.20 -0.32 0.00 0.00 0.00 173.10 173.33 1by3 s GLY 451 N -2.39 0.09 -0.06 0.20 0.00 -0.23 -1.47 107.32 103.46 1by3 s GLY 451 Ca 0.00 -0.61 -0.12 0.00 0.00 0.00 0.00 44.72 43.99 1by3 s GLY 451 CO -0.08 -0.79 0.30 -1.60 0.00 0.00 0.00 173.10 170.93 1by3 s ARG 452 N -3.86 0.51 -0.11 2.90 3.52 -0.03 -1.53 118.95 120.35 1by3 s ARG 452 Ca 0.05 0.09 0.03 0.00 -0.13 0.00 0.00 55.73 55.78 1by3 s ARG 452 Cb 0.05 0.23 0.00 0.00 -1.56 0.00 0.00 34.95 33.67 1by3 s ARG 452 CO -0.11 -0.11 -0.22 -0.47 -0.81 0.00 0.00 175.30 173.58 1by3 s TYR 453 N -0.61 2.49 -0.04 5.12 5.04 -0.55 -1.55 117.35 127.25 1by3 s TYR 453 Ca -0.07 -1.07 0.07 0.00 -2.44 0.00 0.00 57.07 53.55 1by3 s TYR 453 Cb -0.04 -1.68 -0.01 0.00 0.35 0.00 0.00 41.96 40.58 1by3 s TYR 453 CO 0.02 -0.45 -0.25 -0.51 -1.34 0.00 0.00 175.55 173.02 1by3 s ASP 454 N 0.49 2.95 -0.42 4.32 1.01 -0.13 -1.89 116.67 123.01 1by3 s ASP 454 Ca -0.16 -0.47 -0.05 0.00 0.71 0.00 0.00 52.55 52.58 1by3 s ASP 454 Cb -0.17 -0.57 0.10 0.00 1.01 0.00 0.00 42.92 43.29 1by3 s ASP 454 CO 0.06 0.27 0.23 0.26 0.21 0.00 0.00 175.17 176.20 1by3 s TRP 455 N -0.37 3.48 -0.39 4.23 0.51 -0.21 -2.00 118.94 124.19 1by3 s TRP 455 Ca 0.03 -2.08 -0.06 0.00 -2.12 0.00 0.00 56.10 51.88 1by3 s TRP 455 Cb -0.12 -3.15 0.08 0.00 -0.81 0.00 0.00 33.47 29.48 1by3 s TRP 455 CO 0.01 -0.94 0.19 0.00 -0.51 0.00 0.00 176.95 175.70 1by3 s ALA 456 N 1.26 3.15 0.03 0.98 0.00 -0.24 -2.21 121.76 124.73 1by3 s ALA 456 Ca 0.06 -2.18 0.01 0.00 0.00 0.00 0.00 51.96 49.85 1by3 s ALA 456 Cb -0.23 -2.44 -0.04 0.00 0.00 0.00 0.00 23.12 20.41 1by3 s ALA 456 CO -0.02 -1.61 0.06 -0.51 0.00 0.00 0.00 175.76 173.68 1by3 s ASP 457 N 1.84 5.48 0.00 0.00 1.01 -0.53 -0.34 116.67 124.13 1by3 s ASP 457 Ca 0.03 0.05 -0.13 0.00 0.71 0.00 0.00 52.55 53.21 1by3 s ASP 457 Cb -0.22 -1.50 0.02 0.00 1.01 0.00 0.00 42.92 42.22 1by3 s ASP 457 CO -0.00 0.24 0.27 0.00 0.21 0.00 0.00 175.17 175.89 1by3 s GLN 458 N -1.94 0.66 -0.20 8.23 -2.07 -0.32 -0.59 119.66 123.42 1by3 s GLN 458 Ca 0.24 -0.30 -0.18 0.00 -1.82 0.00 0.00 55.36 53.30 1by3 s GLN 458 Cb -0.12 0.29 0.05 0.00 -1.09 0.00 0.00 33.01 32.14 1by3 s GLN 458 CO 0.16 -0.19 0.54 -1.83 -1.32 0.00 0.00 175.29 172.65 1by3 s GLU 459 N -1.61 0.61 -0.10 9.60 -1.05 -0.24 -0.82 118.70 125.08 1by3 s GLU 459 Ca -0.12 0.78 0.02 0.00 -0.15 0.00 0.00 54.97 55.51 1by3 s GLU 459 Cb -0.05 0.26 0.01 0.00 -0.44 0.00 0.00 34.13 33.92 1by3 s GLU 459 CO 0.02 -0.09 -0.17 0.45 0.95 0.00 0.00 175.26 176.42 1by3 s SER 460 N 0.48 2.51 -0.31 0.83 0.15 0.41 -1.23 113.70 116.54 1by3 s SER 460 Ca -0.02 -0.45 -0.06 0.00 0.70 0.00 0.00 55.95 56.13 1by3 s SER 460 Cb -0.04 -1.14 0.03 0.00 -1.71 0.00 0.00 66.02 63.16 1by3 s SER 460 CO -0.02 0.06 0.07 -0.22 1.20 0.00 0.00 173.24 174.33 1by3 s LEU 461 N 0.77 4.04 -0.39 3.45 1.98 -0.85 -0.19 118.68 127.50 1by3 s LEU 461 Ca -0.11 -1.01 -0.25 0.00 -2.89 0.00 0.00 54.13 49.87 1by3 s LEU 461 Cb -0.16 -1.84 0.02 0.00 0.66 0.00 0.00 46.19 44.87 1by3 s LEU 461 CO 0.02 -0.26 0.89 0.21 -1.89 0.00 0.00 176.35 175.31 1by3 s ASN 462 N 1.41 6.61 0.22 3.68 3.84 -0.67 -2.10 114.94 127.93 1by3 s ASN 462 Ca -0.01 0.42 0.07 0.00 0.21 0.00 0.00 52.86 53.56 1by3 s ASN 462 Cb -0.19 -2.44 0.18 0.00 -0.55 0.00 0.00 41.25 38.25 1by3 s ASN 462 CO 0.02 -0.86 1.51 0.03 -2.79 0.00 0.00 177.10 175.00 1by3 h ARG 463 N 8.60 0.08 0.14 0.43 3.08 -1.53 0.03 114.38 125.21 1by3 h ARG 463 Ca -0.24 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 59.73 1by3 h ARG 463 Cb 1.08 0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.15 1by3 h ARG 463 CO 0.97 0.77 -0.07 0.28 -1.07 0.00 0.00 179.97 180.85 1by3 h VAL 464 N 0.05 1.02 0.00 2.04 2.07 -1.92 -3.25 116.25 116.27 1by3 h VAL 464 Ca -0.01 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.62 1by3 h VAL 464 Cb 1.28 1.55 0.00 0.00 -1.52 0.00 0.00 31.29 32.60 1by3 h VAL 464 CO 0.10 0.20 -0.18 0.00 0.02 0.00 0.00 177.57 177.71 1by3 n ALA 465 N -2.42 2.63 -0.81 1.67 0.00 -1.25 -4.93 120.51 115.42 1by3 n ALA 465 Ca -0.09 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1by3 n ALA 465 Cb 0.25 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.34 1by3 n ALA 465 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1by3 n GLY 466 N 1.43 0.90 3.81 0.00 0.00 -0.02 -5.01 105.19 106.30 1by3 n GLY 466 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 1by3 n GLY 466 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1by3 s THR 467 N -3.23 2.53 -0.21 2.61 -4.23 -1.15 -4.87 115.64 107.09 1by3 s THR 467 Ca 0.00 0.17 -0.04 0.00 -1.18 0.00 0.00 61.69 60.64 1by3 s THR 467 Cb 0.00 -2.94 0.11 0.00 1.34 0.00 0.00 72.50 71.01 1by3 s THR 467 CO 0.00 -0.23 0.34 -0.89 -0.54 0.00 0.00 174.62 173.31 1by3 s THR 468 N -3.25 -0.54 -0.13 3.99 2.01 -1.26 -1.66 115.64 114.80 1by3 s THR 468 Ca 0.62 0.01 -0.06 0.00 0.31 0.00 0.00 61.69 62.57 1by3 s THR 468 Cb -0.14 -0.72 -0.04 0.00 0.01 0.00 0.00 72.50 71.61 1by3 s THR 468 CO 0.53 -0.07 0.08 -1.81 -0.69 0.00 0.00 174.62 172.66 1by3 s ASP 469 N 2.50 5.86 0.05 3.53 1.01 0.73 -4.93 116.67 125.43 1by3 s ASP 469 Ca 0.08 0.26 -0.10 0.00 0.71 0.00 0.00 52.55 53.50 1by3 s ASP 469 Cb -0.14 -1.88 0.01 0.00 1.01 0.00 0.00 42.92 41.91 1by3 s ASP 469 CO -0.14 0.32 0.21 -1.59 0.21 0.00 0.00 175.17 174.19 1by3 s LYS 470 N -0.51 0.75 -0.21 8.23 -2.85 -1.26 0.15 119.74 124.04 1by3 s LYS 470 Ca 0.11 -0.67 -0.18 0.00 -1.00 0.00 0.00 55.97 54.22 1by3 s LYS 470 Cb -0.12 0.31 0.06 0.00 -2.06 0.00 0.00 37.83 36.02 1by3 s LYS 470 CO 0.02 -0.23 0.55 0.50 0.10 0.00 0.00 175.35 176.30 1by3 s ARG 471 N -2.83 0.63 -0.30 1.78 3.52 0.00 -4.80 118.95 116.95 1by3 s ARG 471 Ca -0.03 0.81 0.02 0.00 -0.13 0.00 0.00 55.73 56.40 1by3 s ARG 471 Cb 0.00 0.27 0.07 0.00 -1.56 0.00 0.00 34.95 33.74 1by3 s ARG 471 CO -0.05 -0.09 -0.03 -0.51 -0.81 0.00 0.00 175.30 173.80 1by3 s ASP 472 N 0.50 4.64 0.24 -2.12 1.01 -1.26 -1.18 116.67 118.50 1by3 s ASP 472 Ca -0.02 -1.64 -0.02 0.00 0.71 0.00 0.00 52.55 51.58 1by3 s ASP 472 Cb -0.04 -1.61 -0.05 0.00 1.01 0.00 0.00 42.92 42.23 1by3 s ASP 472 CO -0.02 -0.27 0.45 -1.81 0.21 0.00 0.00 175.17 173.73 1by3 s ASP 473 N 1.10 6.40 -0.10 0.27 1.01 0.53 -4.95 116.67 120.94 1by3 s ASP 473 Ca -0.02 0.51 -0.02 0.00 0.71 0.00 0.00 52.55 53.73 1by3 s ASP 473 Cb -0.20 -2.06 0.04 0.00 1.01 0.00 0.00 42.92 41.71 1by3 s ASP 473 CO -0.05 -0.11 0.03 -0.54 0.21 0.00 0.00 175.17 174.71 1by3 s LYS 474 N -3.45 0.46 0.02 8.23 1.02 -1.26 -1.08 119.74 123.69 1by3 s LYS 474 Ca 0.40 0.02 0.02 0.00 0.02 0.00 0.00 55.97 56.43 1by3 s LYS 474 Cb -0.11 -1.23 -0.02 0.00 -0.52 0.00 0.00 37.83 35.96 1by3 s LYS 474 CO 0.30 -0.41 -0.07 -0.65 -0.92 0.00 0.00 175.35 173.59 1by3 s GLN 475 N 2.00 0.50 -0.04 1.68 -1.52 -0.85 -5.00 119.66 116.43 1by3 s GLN 475 Ca 0.03 -0.51 0.07 0.00 -1.95 0.00 0.00 55.36 53.00 1by3 s GLN 475 Cb -0.14 -0.37 -0.02 0.00 -0.22 0.00 0.00 33.01 32.27 1by3 s GLN 475 CO -0.06 0.09 -0.25 0.12 -0.25 0.00 0.00 175.29 174.93 1by3 s PHE 476 N -0.82 2.36 0.04 0.91 5.36 -1.26 -0.95 117.98 123.61 1by3 s PHE 476 Ca -0.04 -0.56 -0.02 0.00 -0.96 0.00 0.00 56.93 55.35 1by3 s PHE 476 Cb -0.06 -1.53 -0.02 0.00 -0.34 0.00 0.00 43.02 41.06 1by3 s PHE 476 CO 0.00 -0.11 0.02 0.95 -1.46 0.00 0.00 175.22 174.62 1by3 s THR 477 N -0.42 0.15 0.19 0.12 -4.23 -0.60 -5.02 115.64 105.84 1by3 s THR 477 Ca 0.04 -1.24 -0.12 0.00 -1.18 0.00 0.00 61.69 59.20 1by3 s THR 477 Cb -0.11 -0.86 0.00 0.00 1.34 0.00 0.00 72.50 72.87 1by3 s THR 477 CO 0.01 -0.68 0.38 -1.66 -0.54 0.00 0.00 174.62 172.12 1by3 s TRP 478 N -2.60 0.28 -0.04 3.99 1.48 -1.26 -0.85 118.94 119.94 1by3 s TRP 478 Ca -0.05 -0.64 -0.06 0.00 -1.06 0.00 0.00 56.10 54.29 1by3 s TRP 478 Cb -0.02 0.09 0.01 0.00 -1.16 0.00 0.00 33.47 32.40 1by3 s TRP 478 CO -0.05 -0.82 0.15 0.50 -4.06 0.00 0.00 176.95 172.67 1by3 s ARG 479 N -3.96 0.25 -0.01 3.25 3.52 -0.54 -2.35 118.95 119.12 1by3 s ARG 479 Ca 0.17 0.05 -0.05 0.00 -0.13 0.00 0.00 55.73 55.77 1by3 s ARG 479 Cb 0.02 0.11 -0.00 0.00 -1.56 0.00 0.00 34.95 33.52 1by3 s ARG 479 CO 0.01 -0.04 0.09 0.20 -0.81 0.00 0.00 175.30 174.76 1by3 s GLY 480 N -0.29 0.05 -0.04 8.12 0.00 -0.30 -1.75 107.32 113.12 1by3 s GLY 480 Ca -0.04 -0.12 -0.30 0.00 0.00 0.00 0.00 44.72 44.27 1by3 s GLY 480 CO 0.00 -0.22 0.94 -0.32 0.00 0.00 0.00 173.10 173.51 1by3 s GLY 481 N -1.03 -0.43 -0.01 0.20 0.00 -0.09 -0.68 107.32 105.28 1by3 s GLY 481 Ca -0.11 1.18 0.06 0.00 0.00 0.00 0.00 44.72 45.85 1by3 s GLY 481 CO 0.01 0.42 -0.20 0.14 0.00 0.00 0.00 173.10 173.47 1by3 s VAL 482 N -2.85 1.56 -0.05 1.40 1.01 0.08 -1.01 120.40 120.52 1by3 s VAL 482 Ca 0.05 -0.86 0.03 0.00 0.00 0.00 0.00 61.98 61.20 1by3 s VAL 482 Cb -0.01 -1.30 0.00 0.00 0.00 0.00 0.00 36.38 35.08 1by3 s VAL 482 CO -0.07 0.43 -0.15 0.20 0.00 0.00 0.00 175.10 175.50 1by3 s ASN 483 N -0.50 1.99 -0.25 3.32 -0.87 0.11 -1.64 114.94 117.09 1by3 s ASN 483 Ca 0.08 -0.33 -0.01 0.00 -1.57 0.00 0.00 52.86 51.02 1by3 s ASN 483 Cb -0.08 -0.73 0.03 0.00 -0.02 0.00 0.00 41.25 40.46 1by3 s ASN 483 CO -0.01 0.10 -0.07 -0.47 -2.57 0.00 0.00 177.10 174.08 1by3 s TYR 484 N 0.32 3.08 -1.19 2.20 5.04 -0.66 -0.54 117.35 125.61 1by3 s TYR 484 Ca -0.09 -1.67 -0.14 0.00 -2.44 0.00 0.00 57.07 52.72 1by3 s TYR 484 Cb -0.13 -2.04 0.16 0.00 0.35 0.00 0.00 41.96 40.30 1by3 s TYR 484 CO 0.03 -0.76 1.42 -0.51 -1.34 0.00 0.00 175.55 174.39 1by3 s LEU 485 N 1.29 5.00 0.74 6.97 1.02 -0.14 -3.25 118.68 130.31 1by3 s LEU 485 Ca -0.01 -2.89 -0.15 0.00 0.02 0.00 0.00 54.13 51.10 1by3 s LEU 485 Cb -0.17 -2.41 0.04 0.00 0.02 0.00 0.00 46.19 43.68 1by3 s LEU 485 CO -0.05 -0.79 1.23 -0.36 0.02 0.00 0.00 176.35 176.40 1by3 s PHE 486 N 1.78 1.95 -1.99 0.29 0.40 -0.99 -4.88 117.98 114.54 1by3 s PHE 486 Ca 0.42 1.60 0.27 0.00 -0.60 0.00 0.00 56.93 58.62 1by3 s PHE 486 Cb -0.03 -3.55 1.59 0.00 0.51 0.00 0.00 43.02 41.55 1by3 s PHE 486 CO -0.01 -2.81 1.94 -0.25 0.70 0.00 0.00 175.22 174.80 1by3 n ASP 487 N -2.72 0.00 -0.03 1.36 8.00 -1.26 -3.13 116.55 118.77 1by3 n ASP 487 Ca 0.14 -0.82 0.09 0.00 0.71 0.00 0.00 54.79 54.92 1by3 n ASP 487 Cb 0.50 -0.01 -0.11 0.00 -0.02 0.00 0.00 41.12 41.49 1by3 n ASP 487 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1by3 n ASN 488 N -1.01 1.00 0.00 -2.24 6.94 -1.26 -4.97 115.26 113.73 1by3 n ASN 488 Ca 0.20 -1.00 0.00 0.00 -0.02 0.00 0.00 54.58 53.76 1by3 n ASN 488 Cb 0.09 0.97 0.00 0.00 -2.36 0.00 0.00 39.78 38.48 1by3 n ASN 488 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1by3 n GLY 489 N 1.46 0.72 3.65 4.83 0.00 -1.18 -4.52 105.19 110.15 1by3 n GLY 489 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1by3 n GLY 489 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1by3 s VAL 490 N -1.18 3.22 -0.55 1.61 1.01 -1.26 -2.61 120.40 120.65 1by3 s VAL 490 Ca 0.00 0.26 0.04 0.00 0.00 0.00 0.00 61.98 62.28 1by3 s VAL 490 Cb 0.00 -3.19 0.15 0.00 0.00 0.00 0.00 36.38 33.34 1by3 s VAL 490 CO 0.00 -0.05 0.33 -0.89 0.00 0.00 0.00 175.10 174.49 1by3 s THR 491 N 5.05 2.15 0.91 3.92 2.01 -0.07 -2.34 115.64 127.26 1by3 s THR 491 Ca 0.85 -3.35 -0.11 0.00 0.31 0.00 0.00 61.69 59.39 1by3 s THR 491 Cb -0.37 -2.46 0.14 0.00 0.01 0.00 0.00 72.50 69.81 1by3 s THR 491 CO 0.36 -0.93 1.09 -2.16 -0.69 0.00 0.00 174.62 172.30 1by3 s PRO 492 N -0.45 1.16 -0.00 4.92 0.04 -1.20 -2.36 135.00 137.11 1by3 s PRO 492 Ca 0.21 1.03 -0.29 0.00 0.04 0.00 0.00 61.00 61.99 1by3 s PRO 492 Cb -0.16 -1.78 0.10 0.00 0.04 0.00 0.00 34.50 32.70 1by3 s PRO 492 CO -0.07 -2.37 1.10 1.52 0.04 0.00 0.00 177.00 177.22 1by3 s TYR 493 N -2.82 -0.14 0.16 0.56 -0.85 -0.66 -1.65 117.35 111.94 1by3 s TYR 493 Ca 0.64 -0.02 -0.20 0.00 -0.52 0.00 0.00 57.07 56.98 1by3 s TYR 493 Cb -0.19 0.57 0.05 0.00 0.38 0.00 0.00 41.96 42.76 1by3 s TYR 493 CO 0.58 -0.47 0.53 -0.59 -1.52 0.00 0.00 175.55 174.08 1by3 s PHE 494 N -2.80 -0.37 0.07 -3.49 -0.12 -0.65 -1.78 117.98 108.84 1by3 s PHE 494 Ca 0.11 0.10 -0.28 0.00 -0.05 0.00 0.00 56.93 56.81 1by3 s PHE 494 Cb 0.01 0.45 0.09 0.00 -0.63 0.00 0.00 43.02 42.94 1by3 s PHE 494 CO -0.03 -0.83 1.09 -1.54 -0.05 0.00 0.00 175.22 173.86 1by3 s SER 495 N -2.79 -0.14 -0.06 1.98 1.04 -0.62 -0.75 113.70 112.37 1by3 s SER 495 Ca 0.03 -0.27 -0.02 0.00 0.48 0.00 0.00 55.95 56.17 1by3 s SER 495 Cb -0.00 0.35 0.04 0.00 0.10 0.00 0.00 66.02 66.50 1by3 s SER 495 CO -0.11 -0.64 0.12 -0.47 0.98 0.00 0.00 173.24 173.12 1by3 s TYR 496 N -2.92 -0.10 0.03 5.02 5.04 0.14 -1.88 117.35 122.68 1by3 s TYR 496 Ca 0.13 0.42 -0.00 0.00 -2.44 0.00 0.00 57.07 55.18 1by3 s TYR 496 Cb 0.01 -0.22 -0.03 0.00 0.35 0.00 0.00 41.96 42.08 1by3 s TYR 496 CO -0.01 -0.18 -0.03 -1.54 -1.34 0.00 0.00 175.55 172.45 1by3 s SER 497 N 1.60 0.33 0.29 4.32 1.04 -0.88 -1.14 113.70 119.25 1by3 s SER 497 Ca -0.04 -0.63 0.11 0.00 0.48 0.00 0.00 55.95 55.87 1by3 s SER 497 Cb -0.12 0.12 -0.05 0.00 0.10 0.00 0.00 66.02 66.07 1by3 s SER 497 CO -0.05 -0.37 -0.11 -1.61 0.98 0.00 0.00 173.24 172.07 1by3 s GLU 498 N -2.10 1.91 0.10 4.02 2.02 -0.99 -1.46 118.70 122.20 1by3 s GLU 498 Ca -0.10 -1.67 -0.11 0.00 0.02 0.00 0.00 54.97 53.11 1by3 s GLU 498 Cb -0.05 -1.90 0.01 0.00 0.10 0.00 0.00 34.13 32.29 1by3 s GLU 498 CO -0.03 0.31 0.25 -1.54 0.02 0.00 0.00 175.26 174.27 1by3 s SER 499 N -3.59 0.02 -0.03 -0.19 1.04 0.35 -3.42 113.70 107.89 1by3 s SER 499 Ca 0.31 -0.58 -0.09 0.00 0.48 0.00 0.00 55.95 56.07 1by3 s SER 499 Cb -0.04 0.38 0.01 0.00 0.10 0.00 0.00 66.02 66.47 1by3 s SER 499 CO 0.17 -0.77 0.21 0.72 0.98 0.00 0.00 173.24 174.54 1by3 s PHE 500 N -3.85 -0.10 -0.24 5.02 -0.71 -1.26 -0.27 117.98 116.57 1by3 s PHE 500 Ca 0.05 0.18 -0.04 0.00 -1.04 0.00 0.00 56.93 56.08 1by3 s PHE 500 Cb 0.04 0.03 0.09 0.00 -1.21 0.00 0.00 43.02 41.96 1by3 s PHE 500 CO -0.11 -0.27 0.13 -2.00 -1.34 0.00 0.00 175.22 171.64 1by3 s GLU 501 N -0.95 0.15 0.73 1.99 2.12 -0.52 -1.69 118.70 120.53 1by3 s GLU 501 Ca -0.10 -0.29 -0.16 0.00 0.36 0.00 0.00 54.97 54.78 1by3 s GLU 501 Cb -0.05 -1.40 0.03 0.00 0.26 0.00 0.00 34.13 32.97 1by3 s GLU 501 CO 0.02 -0.86 1.22 -0.35 -0.54 0.00 0.00 175.26 174.74 1by3 n PRO 502 N 5.27 0.63 -2.69 4.30 -0.04 -1.26 -1.73 135.00 139.47 1by3 n PRO 502 Ca -0.06 0.28 -0.24 0.00 -0.04 0.00 0.00 63.50 63.43 1by3 n PRO 502 Cb 0.45 -2.45 0.02 0.00 -0.04 0.00 0.00 33.50 31.48 1by3 n PRO 502 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1by3 s SER 503 N -1.74 5.68 0.00 3.54 0.15 -1.26 -4.85 113.70 115.23 1by3 s SER 503 Ca 0.78 0.46 0.00 0.00 0.70 0.00 0.00 55.95 57.88 1by3 s SER 503 Cb -0.34 -1.57 0.00 0.00 -1.71 0.00 0.00 66.02 62.41 1by3 s SER 503 CO 0.46 -0.90 0.00 -1.54 1.20 0.00 0.00 173.24 172.47 1by3 n SER 504 N -2.33 0.00 -4.88 5.45 3.41 -1.26 -4.85 113.62 109.17 1by3 n SER 504 Ca 0.03 -0.32 -0.30 0.00 -0.26 0.00 0.00 58.87 58.02 1by3 n SER 504 Cb 0.58 0.62 -0.03 0.00 -0.26 0.00 0.00 64.21 65.12 1by3 n SER 504 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1by3 s GLN 505 N -0.62 3.77 -0.05 4.33 -0.21 -1.26 -4.98 119.66 120.64 1by3 s GLN 505 Ca 0.00 0.42 -0.06 0.00 0.02 0.00 0.00 55.36 55.75 1by3 s GLN 505 Cb 0.00 -2.43 -0.04 0.00 1.00 0.00 0.00 33.01 31.54 1by3 s GLN 505 CO 0.00 0.01 0.19 0.08 -2.12 0.00 0.00 175.29 173.45 1by3 s VAL 506 N -2.31 5.42 0.79 1.09 1.01 -1.26 -2.56 120.40 122.59 1by3 s VAL 506 Ca 0.50 0.09 -0.04 0.00 0.00 0.00 0.00 61.98 62.54 1by3 s VAL 506 Cb -0.10 -3.50 0.16 0.00 0.00 0.00 0.00 36.38 32.94 1by3 s VAL 506 CO 0.30 0.46 1.09 -0.83 0.00 0.00 0.00 175.10 176.12 1by3 s GLY 507 N -1.51 1.76 0.21 4.51 0.00 0.31 -4.69 107.32 107.91 1by3 s GLY 507 Ca 0.22 -1.76 -0.10 0.00 0.00 0.00 0.00 44.72 43.08 1by3 s GLY 507 CO 0.12 -1.10 1.86 1.70 0.00 0.00 0.00 173.10 175.68 1by3 h LYS 508 N -0.83 0.86 0.00 2.90 3.64 -1.86 -1.89 116.57 119.40 1by3 h LYS 508 Ca -0.36 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 1by3 h LYS 508 Cb 1.25 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 1by3 h LYS 508 CO 0.36 0.57 0.00 -0.40 -2.27 0.00 0.00 179.45 177.71 1by3 n ASP 509 N -4.64 0.00 -0.81 4.20 5.68 -1.26 -4.83 116.55 114.89 1by3 n ASP 509 Ca 0.07 -1.12 -0.07 0.00 -0.50 0.00 0.00 54.79 53.18 1by3 n ASP 509 Cb 0.06 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 40.04 1by3 n ASP 509 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1by3 n GLY 510 N 0.14 0.14 3.36 6.12 0.00 -0.71 -5.05 105.19 109.19 1by3 n GLY 510 Ca 0.03 -0.59 -0.18 0.00 0.00 0.00 0.00 46.02 45.27 1by3 n GLY 510 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1by3 s ASN 511 N -2.75 2.24 -0.08 1.61 0.01 -1.26 -4.89 114.94 109.83 1by3 s ASN 511 Ca 0.02 -1.16 -0.24 0.00 -0.71 0.00 0.00 52.86 50.77 1by3 s ASN 511 Cb -0.01 -0.07 -0.03 0.00 0.41 0.00 0.00 41.25 41.55 1by3 s ASN 511 CO 0.02 -0.39 0.72 -0.63 -1.51 0.00 0.00 177.10 175.32 1by3 s ILE 512 N -3.21 5.02 1.08 0.60 1.01 -1.26 0.11 121.20 124.55 1by3 s ILE 512 Ca 0.27 1.48 -0.17 0.00 0.00 0.00 0.00 60.65 62.23 1by3 s ILE 512 Cb 0.04 -4.06 0.08 0.00 0.01 0.00 0.00 42.46 38.53 1by3 s ILE 512 CO 0.09 0.22 0.06 0.49 0.00 0.00 0.00 174.94 175.80 1by3 n PHE 513 N 3.96 -1.46 -2.56 3.97 3.72 -1.06 -4.90 117.46 119.13 1by3 n PHE 513 Ca -0.00 0.17 -0.32 0.00 -0.05 0.00 0.00 57.45 57.24 1by3 n PHE 513 Cb 0.51 -1.61 -0.04 0.00 -0.94 0.00 0.00 39.48 37.40 1by3 n PHE 513 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1by3 s ALA 514 N -2.27 3.11 0.98 4.37 0.00 -1.26 -4.42 121.76 122.28 1by3 s ALA 514 Ca 0.56 0.15 -0.13 0.00 0.00 0.00 0.00 51.96 52.54 1by3 s ALA 514 Cb -0.14 -3.05 0.09 0.00 0.00 0.00 0.00 23.12 20.02 1by3 s ALA 514 CO 0.67 -0.12 0.55 -2.30 0.00 0.00 0.00 175.76 174.55 1by3 n PRO 515 N -1.35 -0.67 -4.22 0.00 -0.02 -1.26 -4.40 135.00 123.08 1by3 n PRO 515 Ca 0.06 -0.15 -0.23 0.00 -2.02 0.00 0.00 63.50 61.16 1by3 n PRO 515 Cb 0.54 -1.97 -0.06 0.00 -0.02 0.00 0.00 33.50 31.99 1by3 n PRO 515 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1by3 s SER 516 N -2.15 4.93 0.17 2.55 1.04 -0.70 -4.87 113.70 114.67 1by3 s SER 516 Ca 0.60 -0.48 0.07 0.00 0.48 0.00 0.00 55.95 56.61 1by3 s SER 516 Cb -0.20 -1.07 -0.04 0.00 0.10 0.00 0.00 66.02 64.80 1by3 s SER 516 CO 0.65 -0.01 -0.13 -0.54 0.98 0.00 0.00 173.24 174.19 1by3 s LYS 517 N -3.67 1.20 -0.07 4.02 1.02 -0.59 -1.43 119.74 120.21 1by3 s LYS 517 Ca 0.32 -1.48 0.03 0.00 0.02 0.00 0.00 55.97 54.85 1by3 s LYS 517 Cb -0.07 -0.95 0.01 0.00 -0.52 0.00 0.00 37.83 36.29 1by3 s LYS 517 CO 0.22 0.16 -0.15 0.20 -0.92 0.00 0.00 175.35 174.85 1by3 s GLY 518 N -3.10 0.90 -0.09 -3.33 0.00 0.63 0.19 107.32 102.52 1by3 s GLY 518 Ca 0.18 -0.55 0.00 0.00 0.00 0.00 0.00 44.72 44.35 1by3 s GLY 518 CO 0.04 -0.03 -0.07 0.54 0.00 0.00 0.00 173.10 173.58 1by3 s LYS 519 N 0.50 1.30 -0.02 2.90 1.02 -0.57 -0.49 119.74 124.39 1by3 s LYS 519 Ca -0.14 -0.20 0.05 0.00 0.02 0.00 0.00 55.97 55.70 1by3 s LYS 519 Cb -0.15 -1.35 -0.01 0.00 -0.52 0.00 0.00 37.83 35.80 1by3 s LYS 519 CO 0.04 -0.20 -0.16 -1.14 -0.92 0.00 0.00 175.35 172.98 1by3 s GLN 520 N 1.47 1.35 -0.03 1.68 0.74 -0.54 -1.62 119.66 122.72 1by3 s GLN 520 Ca -0.00 -0.57 0.07 0.00 0.05 0.00 0.00 55.36 54.90 1by3 s GLN 520 Cb -0.13 -1.29 -0.02 0.00 1.10 0.00 0.00 33.01 32.67 1by3 s GLN 520 CO -0.05 0.33 -0.24 0.71 -0.55 0.00 0.00 175.29 175.49 1by3 s TYR 521 N -0.31 2.40 -0.17 1.67 2.02 -1.05 -2.07 117.35 119.85 1by3 s TYR 521 Ca 0.05 -0.47 -0.14 0.00 -0.37 0.00 0.00 57.07 56.14 1by3 s TYR 521 Cb -0.07 -1.54 0.05 0.00 -0.40 0.00 0.00 41.96 40.00 1by3 s TYR 521 CO -0.00 -0.06 0.45 -2.00 -1.57 0.00 0.00 175.55 172.37 1by3 s GLU 522 N -0.51 0.49 -0.01 -0.62 2.12 -0.79 -1.01 118.70 118.36 1by3 s GLU 522 Ca 0.07 0.70 0.05 0.00 0.36 0.00 0.00 54.97 56.15 1by3 s GLU 522 Cb -0.11 0.17 -0.01 0.00 0.26 0.00 0.00 34.13 34.43 1by3 s GLU 522 CO 0.00 -0.09 -0.17 0.08 -0.54 0.00 0.00 175.26 174.54 1by3 s VAL 523 N 0.65 1.36 0.01 3.70 1.01 -0.22 -1.59 120.40 125.32 1by3 s VAL 523 Ca -0.03 -0.73 -0.01 0.00 0.00 0.00 0.00 61.98 61.20 1by3 s VAL 523 Cb -0.05 -1.13 0.01 0.00 0.00 0.00 0.00 36.38 35.20 1by3 s VAL 523 CO -0.04 0.39 0.07 0.61 0.00 0.00 0.00 175.10 176.12 1by3 n GLY 524 N 2.67 1.31 3.19 4.51 0.00 -0.73 -0.01 105.19 116.13 1by3 n GLY 524 Ca -0.15 -0.94 -0.13 0.00 0.00 0.00 0.00 46.02 44.80 1by3 n GLY 524 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1by3 s VAL 525 N -2.57 0.01 -0.10 1.61 1.01 -0.27 -1.66 120.40 118.44 1by3 s VAL 525 Ca 0.02 -0.12 0.02 0.00 0.00 0.00 0.00 61.98 61.89 1by3 s VAL 525 Cb -0.00 -0.45 0.02 0.00 0.00 0.00 0.00 36.38 35.94 1by3 s VAL 525 CO 0.00 -0.07 -0.14 -0.54 0.00 0.00 0.00 175.10 174.36 1by3 s LYS 526 N -0.18 2.07 -0.42 2.72 1.02 -0.99 -2.35 119.74 121.61 1by3 s LYS 526 Ca -0.03 -0.51 -0.11 0.00 0.02 0.00 0.00 55.97 55.34 1by3 s LYS 526 Cb -0.03 -1.78 0.06 0.00 -0.52 0.00 0.00 37.83 35.57 1by3 s LYS 526 CO 0.01 -0.07 0.27 -0.47 -0.92 0.00 0.00 175.35 174.18 1by3 s TYR 527 N 1.00 3.30 -0.54 3.18 5.04 -0.59 -0.89 117.35 127.83 1by3 s TYR 527 Ca -0.07 -1.27 0.05 0.00 -2.44 0.00 0.00 57.07 53.34 1by3 s TYR 527 Cb -0.15 -2.86 0.19 0.00 0.35 0.00 0.00 41.96 39.49 1by3 s TYR 527 CO -0.01 -0.79 0.46 0.28 -1.34 0.00 0.00 175.55 174.15 1by3 n VAL 528 N 4.99 0.26 -2.08 3.14 0.31 -1.07 -2.72 118.33 121.16 1by3 n VAL 528 Ca -0.11 -4.21 -0.41 0.00 -0.01 0.00 0.00 64.34 59.61 1by3 n VAL 528 Cb 0.44 -1.93 -0.02 0.00 -0.91 0.00 0.00 33.84 31.42 1by3 n VAL 528 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1by3 s PRO 529 N -0.90 4.32 0.27 5.55 0.04 -1.26 -4.68 135.00 138.34 1by3 s PRO 529 Ca 0.31 2.25 0.11 0.00 0.04 0.00 0.00 61.00 63.71 1by3 s PRO 529 Cb 0.03 -3.08 0.35 0.00 0.04 0.00 0.00 34.50 31.85 1by3 s PRO 529 CO -0.16 -0.26 1.60 0.93 0.04 0.00 0.00 177.00 179.15 1by3 h GLU 530 N 3.78 0.00 0.08 4.56 5.08 -1.94 -3.32 114.58 122.83 1by3 h GLU 530 Ca -0.48 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 57.54 1by3 h GLU 530 Cb 1.22 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.45 1by3 h GLU 530 CO 0.68 0.62 -1.88 0.38 -1.00 0.00 0.00 179.01 177.81 1by3 h ASP 531 N 0.00 0.28 -3.02 1.42 2.03 -1.95 -3.47 116.42 111.70 1by3 h ASP 531 Ca -0.01 -0.62 -0.65 0.00 -0.73 0.00 0.00 57.03 55.03 1by3 h ASP 531 Cb 1.12 -0.09 -0.11 0.00 -0.83 0.00 0.00 39.33 39.42 1by3 h ASP 531 CO 0.08 1.55 -0.53 -0.13 -1.03 0.00 0.00 179.24 179.18 1by3 s ARG 532 N -2.57 3.60 -1.42 4.15 0.52 -1.25 -5.03 118.95 116.94 1by3 s ARG 532 Ca -0.16 -0.25 -0.14 0.00 -0.52 0.00 0.00 55.73 54.66 1by3 s ARG 532 Cb 0.07 -3.16 0.03 0.00 0.52 0.00 0.00 34.95 32.41 1by3 s ARG 532 CO 0.79 0.57 2.21 -0.35 0.02 0.00 0.00 175.30 178.55 1by3 n PRO 533 N 2.61 2.78 -4.03 3.54 -0.04 -1.26 -4.36 135.00 134.24 1by3 n PRO 533 Ca -0.18 -2.56 -0.08 0.00 -0.04 0.00 0.00 63.50 60.63 1by3 n PRO 533 Cb 0.54 -3.27 -0.09 0.00 -0.04 0.00 0.00 33.50 30.64 1by3 n PRO 533 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1by3 s ILE 534 N 3.31 0.16 -0.14 0.52 -5.25 -1.26 -3.27 121.20 115.26 1by3 s ILE 534 Ca 0.48 -1.62 -0.06 0.00 -0.99 0.00 0.00 60.65 58.45 1by3 s ILE 534 Cb 0.14 -1.63 0.06 0.00 2.95 0.00 0.00 42.46 43.98 1by3 s ILE 534 CO -0.08 -0.71 0.32 -0.69 -1.79 0.00 0.00 174.94 172.00 1by3 s VAL 535 N -3.94 -0.27 0.01 8.37 1.01 0.57 -4.35 120.40 121.80 1by3 s VAL 535 Ca 0.11 0.18 0.02 0.00 0.00 0.00 0.00 61.98 62.30 1by3 s VAL 535 Cb 0.07 -0.51 -0.01 0.00 0.00 0.00 0.00 36.38 35.93 1by3 s VAL 535 CO -0.06 0.08 -0.08 -0.69 0.00 0.00 0.00 175.10 174.35 1by3 s VAL 536 N 1.91 0.58 0.03 2.92 1.01 -1.10 -0.47 120.40 125.28 1by3 s VAL 536 Ca -0.05 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.45 1by3 s VAL 536 Cb -0.11 -0.52 -0.02 0.00 0.00 0.00 0.00 36.38 35.73 1by3 s VAL 536 CO -0.10 0.04 -0.05 -0.89 0.00 0.00 0.00 175.10 174.09 1by3 s THR 537 N -0.44 0.32 -0.11 3.92 2.01 0.18 -1.54 115.64 119.97 1by3 s THR 537 Ca 0.00 -1.01 -0.12 0.00 0.31 0.00 0.00 61.69 60.87 1by3 s THR 537 Cb -0.04 -0.45 0.03 0.00 0.01 0.00 0.00 72.50 72.05 1by3 s THR 537 CO 0.00 -0.45 0.33 -0.83 -0.69 0.00 0.00 174.62 172.97 1by3 s GLY 538 N -1.55 -0.23 -0.09 4.40 0.00 -0.99 -1.60 107.32 107.26 1by3 s GLY 538 Ca -0.13 0.85 -0.30 0.00 0.00 0.00 0.00 44.72 45.14 1by3 s GLY 538 CO -0.00 0.71 0.71 0.00 0.00 0.00 0.00 173.10 174.52 1by3 s ALA 539 N -0.02 -1.79 0.04 3.20 0.00 -0.50 -1.11 121.76 121.58 1by3 s ALA 539 Ca -0.02 1.45 0.08 0.00 0.00 0.00 0.00 51.96 53.47 1by3 s ALA 539 Cb -0.03 -0.24 -0.03 0.00 0.00 0.00 0.00 23.12 22.83 1by3 s ALA 539 CO 0.01 -0.36 -0.22 0.08 0.00 0.00 0.00 175.76 175.27 1by3 s VAL 540 N -0.93 1.77 0.12 0.00 1.01 0.98 -2.28 120.40 121.07 1by3 s VAL 540 Ca -0.09 -1.21 -0.14 0.00 0.00 0.00 0.00 61.98 60.54 1by3 s VAL 540 Cb -0.01 -1.52 0.03 0.00 0.00 0.00 0.00 36.38 34.87 1by3 s VAL 540 CO 0.08 0.26 0.36 -0.72 0.00 0.00 0.00 175.10 175.08 1by3 s TYR 541 N -0.77 -0.12 -0.36 5.22 -0.85 -1.12 -1.06 117.35 118.29 1by3 s TYR 541 Ca 0.08 -0.22 -0.00 0.00 -0.52 0.00 0.00 57.07 56.41 1by3 s TYR 541 Cb -0.09 0.19 0.13 0.00 0.38 0.00 0.00 41.96 42.57 1by3 s TYR 541 CO 0.02 -0.67 0.19 1.21 -1.52 0.00 0.00 175.55 174.78 1by3 s ASN 542 N -2.82 3.31 -0.04 -0.18 3.84 -0.18 -2.75 114.94 116.12 1by3 s ASN 542 Ca 0.04 -2.08 -0.09 0.00 0.21 0.00 0.00 52.86 50.94 1by3 s ASN 542 Cb 0.02 -0.57 -0.05 0.00 -0.55 0.00 0.00 41.25 40.10 1by3 s ASN 542 CO -0.12 -0.33 0.26 -0.22 -2.79 0.00 0.00 177.10 173.90 1by3 s LEU 543 N 1.13 4.40 -0.11 3.21 0.20 0.53 -2.51 118.68 125.54 1by3 s LEU 543 Ca 0.16 0.62 -0.06 0.00 0.69 0.00 0.00 54.13 55.54 1by3 s LEU 543 Cb -0.22 -2.45 0.04 0.00 -0.43 0.00 0.00 46.19 43.14 1by3 s LEU 543 CO -0.08 0.32 0.26 0.28 -0.29 0.00 0.00 176.35 176.85 1by3 s THR 544 N -1.16 -0.03 -0.28 3.68 -1.32 -0.64 -0.62 115.64 115.28 1by3 s THR 544 Ca 0.22 0.11 -0.09 0.00 -1.21 0.00 0.00 61.69 60.72 1by3 s THR 544 Cb -0.14 -0.39 -0.03 0.00 -1.51 0.00 0.00 72.50 70.44 1by3 s THR 544 CO 0.11 0.04 0.14 -0.75 -2.21 0.00 0.00 174.62 171.95 1by3 s LYS 545 N 0.99 3.63 0.38 7.08 2.20 0.13 -1.51 119.74 132.64 1by3 s LYS 545 Ca -0.07 -0.51 0.07 0.00 -0.36 0.00 0.00 55.97 55.10 1by3 s LYS 545 Cb -0.08 -3.51 -0.00 0.00 -1.51 0.00 0.00 37.83 32.72 1by3 s LYS 545 CO -0.07 -0.27 0.50 0.95 -0.36 0.00 0.00 175.35 176.11 1by3 s THR 546 N 1.66 3.50 -1.46 3.43 -4.23 0.13 -1.93 115.64 116.74 1by3 s THR 546 Ca 0.06 -1.04 -0.10 0.00 -1.18 0.00 0.00 61.69 59.44 1by3 s THR 546 Cb -0.16 -3.20 0.06 0.00 1.34 0.00 0.00 72.50 70.54 1by3 s THR 546 CO 0.07 -0.08 0.90 -3.20 -0.54 0.00 0.00 174.62 171.77 1by3 n ASN 547 N -1.71 -3.75 -4.79 3.99 4.05 -0.53 -1.55 115.26 110.98 1by3 n ASN 547 Ca 0.04 -0.79 -0.37 0.00 0.45 0.00 0.00 54.58 53.91 1by3 n ASN 547 Cb 0.59 -3.95 -0.06 0.00 1.23 0.00 0.00 39.78 37.58 1by3 n ASN 547 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 177.26 174.42 1by3 s ASN 548 N -3.63 7.30 0.07 1.20 2.47 0.86 -4.44 114.94 118.78 1by3 s ASN 548 Ca 0.46 1.72 -0.30 0.00 0.42 0.00 0.00 52.86 55.17 1by3 s ASN 548 Cb -0.23 -2.54 -0.06 0.00 -1.45 0.00 0.00 41.25 36.98 1by3 s ASN 548 CO 0.82 -0.00 1.16 -0.76 -3.72 0.00 0.00 177.10 174.60 1by3 s LEU 549 N -1.89 4.39 0.30 3.21 1.43 -1.26 0.46 118.68 125.32 1by3 s LEU 549 Ca 0.46 1.99 0.03 0.00 -1.03 0.00 0.00 54.13 55.58 1by3 s LEU 549 Cb -0.19 -3.58 -0.06 0.00 0.03 0.00 0.00 46.19 42.39 1by3 s LEU 549 CO 0.24 -0.40 0.08 0.00 0.23 0.00 0.00 176.35 176.50 1by3 s MET 550 N 0.81 1.55 0.41 1.70 0.23 0.80 -4.89 119.30 119.90 1by3 s MET 550 Ca 0.56 -1.85 -0.26 0.00 -1.03 0.00 0.00 55.69 53.11 1by3 s MET 550 Cb -0.28 -0.56 -0.09 0.00 -1.53 0.00 0.00 34.83 32.37 1by3 s MET 550 CO 0.30 -0.25 1.38 0.00 -2.03 0.00 0.00 175.02 174.41 1by3 s ALA 551 N -3.51 3.32 0.07 3.16 0.00 -1.26 -1.01 121.76 122.53 1by3 s ALA 551 Ca 0.37 1.37 -0.31 0.00 0.00 0.00 0.00 51.96 53.40 1by3 s ALA 551 Cb 0.08 -3.54 -0.06 0.00 0.00 0.00 0.00 23.12 19.60 1by3 s ALA 551 CO 0.15 -0.98 1.20 0.34 0.00 0.00 0.00 175.76 176.47 1by3 s ASP 552 N -0.54 7.08 0.00 0.00 2.15 -1.25 -4.66 116.67 119.46 1by3 s ASP 552 Ca 0.57 2.03 -0.02 0.00 0.43 0.00 0.00 52.55 55.56 1by3 s ASP 552 Cb -0.42 -2.58 -0.08 0.00 -0.30 0.00 0.00 42.92 39.54 1by3 s ASP 552 CO 0.54 -0.46 1.53 -0.81 -0.17 0.00 0.00 175.17 175.80 1by3 n PRO 553 N 3.86 0.71 -3.54 4.34 -0.04 -1.26 -4.58 135.00 134.49 1by3 n PRO 553 Ca 0.09 -0.31 -0.13 0.00 -0.04 0.00 0.00 63.50 63.11 1by3 n PRO 553 Cb 0.46 -1.61 -0.05 0.00 -0.04 0.00 0.00 33.50 32.26 1by3 n PRO 553 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1by3 s GLU 554 N 2.00 0.80 0.00 0.54 2.02 -1.26 -5.03 118.70 117.77 1by3 s GLU 554 Ca 0.21 0.10 0.00 0.00 0.02 0.00 0.00 54.97 55.30 1by3 s GLU 554 Cb 0.10 0.38 0.00 0.00 0.10 0.00 0.00 34.13 34.71 1by3 s GLU 554 CO 0.00 -0.27 0.11 0.41 0.02 0.00 0.00 175.26 175.53 1by3 n GLY 555 N 0.62 0.00 3.70 -1.39 0.00 -1.26 -4.70 105.19 102.15 1by3 n GLY 555 Ca -0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 1by3 n GLY 555 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1by3 s SER 556 N -1.74 6.96 0.00 1.61 1.04 -1.26 -4.85 113.70 115.45 1by3 s SER 556 Ca 0.00 2.04 0.05 0.00 0.48 0.00 0.00 55.95 58.52 1by3 s SER 556 Cb 0.00 -2.57 0.29 0.00 0.10 0.00 0.00 66.02 63.84 1by3 s SER 556 CO 0.00 -0.61 0.67 0.49 0.98 0.00 0.00 173.24 174.78 1by3 n PHE 557 N 4.73 0.00 -2.37 5.02 3.01 -1.26 -4.69 117.46 121.91 1by3 n PHE 557 Ca 0.11 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 58.31 1by3 n PHE 557 Cb 0.45 0.00 0.04 0.00 -0.01 0.00 0.00 39.48 39.95 1by3 n PHE 557 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 1by3 s PHE 558 N -2.00 3.21 0.41 1.38 0.40 -1.26 -5.06 117.98 115.06 1by3 s PHE 558 Ca 0.07 0.62 0.05 0.00 -0.60 0.00 0.00 56.93 57.06 1by3 s PHE 558 Cb 0.03 -2.80 0.05 0.00 0.51 0.00 0.00 43.02 40.81 1by3 s PHE 558 CO 0.06 -0.90 0.38 0.45 0.70 0.00 0.00 175.22 175.90 1by3 n SER 559 N -2.63 2.09 -3.83 1.36 2.88 -1.26 -3.87 113.62 108.36 1by3 n SER 559 Ca 0.05 -2.32 -0.10 0.00 -1.33 0.00 0.00 58.87 55.18 1by3 n SER 559 Cb 0.58 -0.10 -0.06 0.00 -0.75 0.00 0.00 64.21 63.88 1by3 n SER 559 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1by3 s VAL 560 N -1.90 0.08 0.00 2.46 0.11 -0.18 -4.52 120.40 116.45 1by3 s VAL 560 Ca 0.28 -1.07 0.00 0.00 -2.93 0.00 0.00 61.98 58.27 1by3 s VAL 560 Cb -0.02 -1.55 0.00 0.00 -1.53 0.00 0.00 36.38 33.28 1by3 s VAL 560 CO 0.18 -0.34 0.00 -0.62 -3.33 0.00 0.00 175.10 170.99 1by3 n GLU 561 N -0.21 1.86 -0.97 1.54 1.02 -1.26 -0.14 120.64 122.48 1by3 n GLU 561 Ca -0.11 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.03 1by3 n GLU 561 Cb 0.63 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.05 1by3 n GLU 561 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1by3 n GLY 562 N 5.00 0.36 3.87 0.62 0.00 -1.25 -4.48 105.19 109.31 1by3 n GLY 562 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1by3 n GLY 562 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1by3 s GLY 563 N -2.00 1.65 -0.18 -0.02 0.00 0.17 -4.73 107.32 102.21 1by3 s GLY 563 Ca 0.00 -0.17 -0.11 0.00 0.00 0.00 0.00 44.72 44.44 1by3 s GLY 563 CO 0.00 0.14 0.45 1.85 0.00 0.00 0.00 173.10 175.54 1by3 s GLU 564 N -5.23 0.44 0.06 2.90 2.12 -0.81 -0.10 118.70 118.08 1by3 s GLU 564 Ca 0.56 0.82 0.09 0.00 0.36 0.00 0.00 54.97 56.80 1by3 s GLU 564 Cb -0.11 0.03 -0.03 0.00 0.26 0.00 0.00 34.13 34.28 1by3 s GLU 564 CO 0.53 -0.15 -0.25 0.42 -0.54 0.00 0.00 175.26 175.28 1by3 s ILE 565 N 1.28 2.02 -0.03 -3.70 1.01 -0.81 -1.77 121.20 119.20 1by3 s ILE 565 Ca -0.08 -1.40 0.02 0.00 0.00 0.00 0.00 60.65 59.18 1by3 s ILE 565 Cb -0.07 -1.75 0.01 0.00 0.01 0.00 0.00 42.46 40.66 1by3 s ILE 565 CO -0.12 0.27 -0.06 -0.60 0.00 0.00 0.00 174.94 174.43 1by3 s ARG 566 N -1.37 0.73 -0.01 2.79 3.00 -0.06 -0.70 118.95 123.33 1by3 s ARG 566 Ca 0.11 -0.17 0.04 0.00 -1.00 0.00 0.00 55.73 54.70 1by3 s ARG 566 Cb -0.10 -0.72 -0.01 0.00 0.00 0.00 0.00 34.95 34.12 1by3 s ARG 566 CO 0.03 0.02 -0.12 0.00 0.00 0.00 0.00 175.30 175.22 1by3 s ALA 567 N 0.45 1.04 -0.04 6.12 0.00 0.21 -0.35 121.76 129.19 1by3 s ALA 567 Ca -0.06 -0.53 -0.11 0.00 0.00 0.00 0.00 51.96 51.26 1by3 s ALA 567 Cb -0.10 -0.28 0.02 0.00 0.00 0.00 0.00 23.12 22.77 1by3 s ALA 567 CO 0.00 0.25 0.26 -0.98 0.00 0.00 0.00 175.76 175.28 1by3 s ARG 568 N -0.25 0.49 0.00 0.00 1.70 -0.53 -0.35 118.95 120.03 1by3 s ARG 568 Ca 0.04 -0.03 -0.00 0.00 -0.47 0.00 0.00 55.73 55.27 1by3 s ARG 568 Cb -0.05 0.22 0.00 0.00 -0.57 0.00 0.00 34.95 34.55 1by3 s ARG 568 CO -0.00 -0.11 0.02 0.41 -1.08 0.00 0.00 175.30 174.53 1by3 n GLY 569 N 1.94 0.98 2.96 3.88 0.00 -1.11 -0.02 105.19 113.82 1by3 n GLY 569 Ca -0.19 -0.88 -0.22 0.00 0.00 0.00 0.00 46.02 44.73 1by3 n GLY 569 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1by3 s VAL 570 N -2.37 0.80 -0.02 1.61 1.01 0.86 -2.80 120.40 119.49 1by3 s VAL 570 Ca 0.00 -0.30 0.03 0.00 0.00 0.00 0.00 61.98 61.72 1by3 s VAL 570 Cb -0.00 -0.76 -0.00 0.00 0.00 0.00 0.00 36.38 35.61 1by3 s VAL 570 CO 0.00 0.28 -0.12 -1.61 0.00 0.00 0.00 175.10 173.65 1by3 s GLU 571 N 0.70 1.13 0.00 2.72 2.02 -0.96 -0.33 118.70 123.97 1by3 s GLU 571 Ca -0.12 -0.41 0.00 0.00 0.02 0.00 0.00 54.97 54.46 1by3 s GLU 571 Cb -0.14 -1.05 -0.00 0.00 0.10 0.00 0.00 34.13 33.04 1by3 s GLU 571 CO 0.02 0.20 -0.01 -1.50 0.02 0.00 0.00 175.26 173.99 1by3 s ILE 572 N -0.03 0.05 -0.00 -1.63 1.10 -0.76 -1.41 121.20 118.52 1by3 s ILE 572 Ca -0.00 -0.08 0.01 0.00 -0.51 0.00 0.00 60.65 60.07 1by3 s ILE 572 Cb -0.08 -0.06 -0.00 0.00 0.15 0.00 0.00 42.46 42.47 1by3 s ILE 572 CO 0.00 -0.02 -0.04 -0.70 -2.11 0.00 0.00 174.94 172.07 1by3 s GLU 573 N -0.11 0.34 -0.04 3.50 2.12 -0.62 -1.38 118.70 122.51 1by3 s GLU 573 Ca -0.01 -0.16 0.01 0.00 0.36 0.00 0.00 54.97 55.17 1by3 s GLU 573 Cb -0.01 -0.33 0.02 0.00 0.26 0.00 0.00 34.13 34.08 1by3 s GLU 573 CO -0.00 0.09 -0.03 0.00 -0.54 0.00 0.00 175.26 174.78 1by3 s ALA 574 N -0.13 0.56 -0.03 6.30 0.00 -0.07 0.49 121.76 128.88 1by3 s ALA 574 Ca 0.01 0.02 -0.00 0.00 0.00 0.00 0.00 51.96 51.99 1by3 s ALA 574 Cb -0.02 -0.38 0.03 0.00 0.00 0.00 0.00 23.12 22.75 1by3 s ALA 574 CO -0.00 -0.02 0.02 0.15 0.00 0.00 0.00 175.76 175.90 1by3 s LYS 575 N 0.92 0.22 -0.28 0.00 1.02 0.38 -1.39 119.74 120.61 1by3 s LYS 575 Ca -0.11 0.15 -0.26 0.00 0.02 0.00 0.00 55.97 55.76 1by3 s LYS 575 Cb -0.14 -0.50 0.17 0.00 -0.52 0.00 0.00 37.83 36.83 1by3 s LYS 575 CO -0.00 -0.19 1.29 -0.98 -0.92 0.00 0.00 175.35 174.55 1by3 s ARG 576 N 1.32 0.22 -0.79 1.68 1.04 -0.77 -0.31 118.95 121.33 1by3 s ARG 576 Ca -0.06 0.19 -0.18 0.00 -1.04 0.00 0.00 55.73 54.65 1by3 s ARG 576 Cb -0.13 0.10 0.14 0.00 -2.04 0.00 0.00 34.95 33.03 1by3 s ARG 576 CO -0.02 -0.04 0.90 -1.25 -0.04 0.00 0.00 175.30 174.85 1by3 s PRO 577 N -0.21 3.41 0.00 3.89 0.04 -1.20 -1.29 135.00 139.64 1by3 s PRO 577 Ca 0.06 -1.77 0.00 0.00 0.04 0.00 0.00 61.00 59.33 1by3 s PRO 577 Cb -0.04 -4.57 0.00 0.00 0.04 0.00 0.00 34.50 29.94 1by3 s PRO 577 CO -0.10 -1.59 0.54 1.28 0.04 0.00 0.00 177.00 177.17 1by3 n LEU 578 N 5.88 0.00 0.00 -3.56 4.77 -0.91 -4.71 117.00 118.47 1by3 n LEU 578 Ca 0.10 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 1by3 n LEU 578 Cb 0.46 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 1by3 n LEU 578 CO 0.49 -0.08 0.00 -1.54 -1.33 0.00 0.00 177.39 174.93 1by3 n SER 579 N -1.04 0.00 0.05 -1.43 3.41 -1.17 -4.88 113.62 108.56 1by3 n SER 579 Ca 0.00 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.65 1by3 n SER 579 Cb 0.01 0.00 0.20 0.00 -0.26 0.00 0.00 64.21 64.16 1by3 n SER 579 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1by3 n ALA 580 N -0.48 1.05 0.05 7.33 0.00 -1.26 -2.13 120.51 125.07 1by3 n ALA 580 Ca 0.00 0.06 0.04 0.00 0.00 0.00 0.00 53.44 53.54 1by3 n ALA 580 Cb 0.00 -1.11 -0.06 0.00 0.00 0.00 0.00 19.45 18.28 1by3 n ALA 580 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1by3 n SER 581 N -1.74 2.80 -4.31 0.00 7.64 -1.26 -4.66 113.62 112.09 1by3 n SER 581 Ca -0.00 -0.11 -0.30 0.00 1.01 0.00 0.00 58.87 59.46 1by3 n SER 581 Cb 0.02 1.29 -0.16 0.00 -1.01 0.00 0.00 64.21 64.35 1by3 n SER 581 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1by3 s VAL 582 N -2.39 2.02 0.01 0.44 1.01 -0.91 -1.20 120.40 119.38 1by3 s VAL 582 Ca -0.02 -1.15 0.00 0.00 0.00 0.00 0.00 61.98 60.82 1by3 s VAL 582 Cb 0.05 -1.69 -0.01 0.00 0.00 0.00 0.00 36.38 34.73 1by3 s VAL 582 CO 0.31 0.52 -0.01 0.20 0.00 0.00 0.00 175.10 176.12 1by3 s ASN 583 N -0.73 0.08 -0.04 3.32 0.01 -0.98 -2.14 114.94 114.46 1by3 s ASN 583 Ca 0.10 -0.13 0.01 0.00 -0.71 0.00 0.00 52.86 52.13 1by3 s ASN 583 Cb -0.10 0.02 0.02 0.00 0.41 0.00 0.00 41.25 41.61 1by3 s ASN 583 CO -0.00 -0.08 -0.04 -0.69 -1.51 0.00 0.00 177.10 174.78 1by3 s VAL 584 N -0.38 0.51 -0.02 1.60 1.01 -0.41 -2.27 120.40 120.43 1by3 s VAL 584 Ca -0.04 -0.12 0.03 0.00 0.00 0.00 0.00 61.98 61.84 1by3 s VAL 584 Cb -0.03 -0.53 0.00 0.00 0.00 0.00 0.00 36.38 35.82 1by3 s VAL 584 CO -0.00 0.21 -0.10 -0.69 0.00 0.00 0.00 175.10 174.52 1by3 s VAL 585 N 0.83 0.82 0.08 2.92 1.01 0.56 -1.85 120.40 124.77 1by3 s VAL 585 Ca -0.11 -0.39 -0.27 0.00 0.00 0.00 0.00 61.98 61.21 1by3 s VAL 585 Cb -0.14 -0.72 0.09 0.00 0.00 0.00 0.00 36.38 35.61 1by3 s VAL 585 CO 0.00 0.25 1.06 -0.83 0.00 0.00 0.00 175.10 175.58 1by3 s GLY 586 N 0.12 -0.31 0.19 4.51 0.00 -0.49 0.78 107.32 112.13 1by3 s GLY 586 Ca -0.02 0.43 -0.20 0.00 0.00 0.00 0.00 44.72 44.93 1by3 s GLY 586 CO 0.00 0.09 0.56 -1.35 0.00 0.00 0.00 173.10 172.40 1by3 s SER 587 N -2.88 -0.36 0.01 1.64 1.04 0.69 -0.89 113.70 112.95 1by3 s SER 587 Ca 0.12 -0.31 0.01 0.00 0.48 0.00 0.00 55.95 56.24 1by3 s SER 587 Cb 0.00 0.59 -0.01 0.00 0.10 0.00 0.00 66.02 66.71 1by3 s SER 587 CO -0.01 -1.04 -0.04 -0.47 0.98 0.00 0.00 173.24 172.66 1by3 s TYR 588 N -3.83 0.33 -0.08 5.02 5.04 -0.48 -0.38 117.35 122.96 1by3 s TYR 588 Ca 0.06 -0.17 -0.03 0.00 -2.44 0.00 0.00 57.07 54.48 1by3 s TYR 588 Cb -0.01 -0.21 0.05 0.00 0.35 0.00 0.00 41.96 42.13 1by3 s TYR 588 CO -0.06 -0.04 0.16 0.99 -1.34 0.00 0.00 175.55 175.26 1by3 s THR 589 N -0.43 -0.25 -0.19 4.34 2.01 0.29 -1.84 115.64 119.57 1by3 s THR 589 Ca -0.03 0.35 -0.02 0.00 0.31 0.00 0.00 61.69 62.30 1by3 s THR 589 Cb -0.04 -0.29 -0.00 0.00 0.01 0.00 0.00 72.50 72.18 1by3 s THR 589 CO -0.00 0.15 -0.10 -0.47 -0.69 0.00 0.00 174.62 173.50 1by3 s TYR 590 N 2.23 2.88 -0.07 4.92 5.04 0.56 -0.66 117.35 132.25 1by3 s TYR 590 Ca 0.02 -1.09 0.01 0.00 -2.44 0.00 0.00 57.07 53.57 1by3 s TYR 590 Cb -0.12 -2.01 0.02 0.00 0.35 0.00 0.00 41.96 40.20 1by3 s TYR 590 CO -0.06 -0.57 -0.07 -0.08 -1.34 0.00 0.00 175.55 173.43 1by3 s THR 591 N 1.25 0.81 -0.53 4.34 -1.32 0.07 -0.10 115.64 120.16 1by3 s THR 591 Ca 0.03 -0.25 -0.00 0.00 -1.21 0.00 0.00 61.69 60.26 1by3 s THR 591 Cb -0.14 -0.81 0.14 0.00 -1.51 0.00 0.00 72.50 70.18 1by3 s THR 591 CO -0.04 0.30 0.31 -0.62 -2.21 0.00 0.00 174.62 172.35 1by3 s ASP 592 N 1.07 4.92 0.09 8.08 -1.08 0.97 -4.22 116.67 126.50 1by3 s ASP 592 Ca -0.08 -2.71 0.04 0.00 -0.52 0.00 0.00 52.55 49.28 1by3 s ASP 592 Cb -0.14 -1.76 -0.04 0.00 -1.46 0.00 0.00 42.92 39.51 1by3 s ASP 592 CO -0.01 -0.36 0.05 0.00 0.52 0.00 0.00 175.17 175.38 1by3 s ALA 593 N 0.15 3.46 -0.07 3.66 0.00 -1.26 -1.45 121.76 126.26 1by3 s ALA 593 Ca 0.15 -1.08 -0.29 0.00 0.00 0.00 0.00 51.96 50.74 1by3 s ALA 593 Cb -0.22 -1.33 0.10 0.00 0.00 0.00 0.00 23.12 21.67 1by3 s ALA 593 CO -0.03 0.70 0.84 -2.00 0.00 0.00 0.00 175.76 175.28 1by3 s GLU 594 N -2.44 0.84 -0.75 0.00 2.12 0.52 -4.49 118.70 114.50 1by3 s GLU 594 Ca 0.28 0.03 -0.26 0.00 0.36 0.00 0.00 54.97 55.39 1by3 s GLU 594 Cb -0.12 0.40 0.04 0.00 0.26 0.00 0.00 34.13 34.71 1by3 s GLU 594 CO 0.21 -0.30 1.23 0.71 -0.54 0.00 0.00 175.26 176.57 1by3 s TYR 595 N -1.79 2.39 -0.09 5.30 2.02 -0.17 -0.89 117.35 124.13 1by3 s TYR 595 Ca -0.03 -0.25 0.28 0.00 -0.37 0.00 0.00 57.07 56.70 1by3 s TYR 595 Cb -0.00 -4.57 0.89 0.00 -0.40 0.00 0.00 41.96 37.88 1by3 s TYR 595 CO 0.01 -1.97 1.81 1.79 -1.57 0.00 0.00 175.55 175.61 1by3 h THR 596 N 6.09 0.12 -0.77 -0.71 1.35 -1.68 0.50 112.91 117.82 1by3 h THR 596 Ca -0.23 -0.85 0.00 0.00 -0.55 0.00 0.00 66.41 64.78 1by3 h THR 596 Cb 1.05 1.76 -0.19 0.00 -1.73 0.00 0.00 68.15 69.04 1by3 h THR 596 CO 1.27 0.06 -0.34 0.28 -0.25 0.00 0.00 175.52 176.54 1by3 s THR 597 N -3.47 -0.77 -0.03 6.82 -1.32 -0.86 -4.86 115.64 111.15 1by3 s THR 597 Ca 0.03 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.52 1by3 s THR 597 Cb 0.08 -0.07 0.02 0.00 -1.51 0.00 0.00 72.50 71.02 1by3 s THR 597 CO 0.61 0.00 -0.01 -0.62 -2.21 0.00 0.00 174.62 172.39 1by3 s ASP 598 N 1.97 0.47 0.00 8.08 -1.08 -1.26 -1.93 116.67 122.92 1by3 s ASP 598 Ca 0.16 -0.05 0.00 0.00 -0.52 0.00 0.00 52.55 52.14 1by3 s ASP 598 Cb -0.02 -0.22 0.00 0.00 -1.46 0.00 0.00 42.92 41.21 1by3 s ASP 598 CO -0.11 -0.07 0.21 0.35 0.52 0.00 0.00 175.17 176.07 1by3 n THR 599 N 3.93 0.00 0.00 1.71 -2.24 -1.26 -2.84 114.28 113.58 1by3 n THR 599 Ca -0.25 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 1by3 n THR 599 Cb 0.52 -0.73 0.00 0.00 -2.10 0.00 0.00 70.33 68.01 1by3 n THR 599 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1by3 n THR 600 N -0.69 0.00 -0.96 4.28 -1.04 -1.26 -4.92 114.28 109.69 1by3 n THR 600 Ca 0.00 0.00 0.08 0.00 -2.04 0.00 0.00 64.05 62.09 1by3 n THR 600 Cb 0.00 0.00 0.29 0.00 -1.82 0.00 0.00 70.33 68.80 1by3 n THR 600 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1by3 n TYR 601 N -1.36 1.18 -1.66 -1.42 4.01 -1.24 -5.02 117.16 111.65 1by3 n TYR 601 Ca 0.00 -0.84 -0.51 0.00 -0.16 0.00 0.00 57.90 56.39 1by3 n TYR 601 Cb 0.00 -0.35 -0.05 0.00 -0.31 0.00 0.00 39.34 38.62 1by3 n TYR 601 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 1by3 n LYS 602 N -0.25 1.67 0.00 -0.72 4.81 -1.13 -1.36 118.16 121.18 1by3 n LYS 602 Ca 0.23 0.61 0.00 0.00 -0.87 0.00 0.00 58.31 58.27 1by3 n LYS 602 Cb 0.95 -2.34 0.00 0.00 0.02 0.00 0.00 35.03 33.66 1by3 n LYS 602 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1by3 n GLY 603 N 3.58 3.00 3.72 3.14 0.00 0.17 -5.00 105.19 113.79 1by3 n GLY 603 Ca 0.21 -0.17 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 1by3 n GLY 603 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1by3 s ASN 604 N 0.77 3.00 -0.08 1.61 0.02 -0.46 -4.64 114.94 115.16 1by3 s ASN 604 Ca 0.00 1.12 0.00 0.00 -1.02 0.00 0.00 52.86 52.96 1by3 s ASN 604 Cb 0.00 -1.75 -0.03 0.00 0.02 0.00 0.00 41.25 39.49 1by3 s ASN 604 CO 0.00 -2.89 -0.05 0.42 0.02 0.00 0.00 177.10 174.60 1by3 s THR 605 N -3.08 3.82 0.48 1.60 -4.23 -1.26 -1.00 115.64 111.97 1by3 s THR 605 Ca 0.65 -0.43 -0.21 0.00 -1.18 0.00 0.00 61.69 60.51 1by3 s THR 605 Cb -0.17 -2.58 -0.10 0.00 1.34 0.00 0.00 72.50 70.99 1by3 s THR 605 CO 0.56 0.59 0.74 -2.65 -0.54 0.00 0.00 174.62 173.32 1by3 n PRO 606 N 2.30 0.84 -1.65 3.99 -0.02 -1.26 -4.83 135.00 134.37 1by3 n PRO 606 Ca -0.18 0.31 -0.32 0.00 -2.02 0.00 0.00 63.50 61.29 1by3 n PRO 606 Cb 0.53 -1.81 0.05 0.00 -0.02 0.00 0.00 33.50 32.26 1by3 n PRO 606 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1by3 s ALA 607 N -1.47 2.47 -0.28 3.55 0.00 -1.26 -3.51 121.76 121.25 1by3 s ALA 607 Ca 0.66 0.41 0.00 0.00 0.00 0.00 0.00 51.96 53.04 1by3 s ALA 607 Cb -0.53 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.31 1by3 s ALA 607 CO 0.55 -1.33 0.00 1.04 0.00 0.00 0.00 175.76 176.02 1by3 n GLN 608 N -2.70 -1.22 -3.79 0.00 6.02 -0.95 -4.97 117.38 109.76 1by3 n GLN 608 Ca 0.10 0.45 -0.37 0.00 -0.01 0.00 0.00 57.00 57.17 1by3 n GLN 608 Cb 0.52 -4.44 -0.12 0.00 1.02 0.00 0.00 30.24 27.22 1by3 n GLN 608 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1by3 s VAL 609 N -1.58 3.44 0.45 5.09 1.01 -1.23 -5.02 120.40 122.55 1by3 s VAL 609 Ca 0.00 -1.51 -0.15 0.00 0.00 0.00 0.00 61.98 60.32 1by3 s VAL 609 Cb 0.00 -3.09 -0.08 0.00 0.00 0.00 0.00 36.38 33.21 1by3 s VAL 609 CO 0.00 -0.34 0.89 -2.16 0.00 0.00 0.00 175.10 173.49 1by3 s PRO 610 N 1.28 3.93 0.08 2.72 0.04 -1.26 -4.62 135.00 137.17 1by3 s PRO 610 Ca 0.01 0.79 0.05 0.00 0.04 0.00 0.00 61.00 61.88 1by3 s PRO 610 Cb -0.21 -2.25 -0.23 0.00 0.04 0.00 0.00 34.50 31.85 1by3 s PRO 610 CO -0.01 -0.13 1.15 0.87 0.04 0.00 0.00 177.00 178.93 1by3 h LYS 611 N 1.27 0.07 -6.33 4.56 1.57 -1.73 -3.40 116.57 112.57 1by3 h LYS 611 Ca -0.47 -0.12 -0.61 0.00 -1.87 0.00 0.00 60.65 57.58 1by3 h LYS 611 Cb 1.18 0.04 -0.25 0.00 0.08 0.00 0.00 32.23 33.29 1by3 h LYS 611 CO 0.63 0.99 -0.85 -1.01 -0.57 0.00 0.00 179.45 178.63 1by3 s HIS 612 N -2.68 1.97 -0.19 -1.35 3.76 -1.26 -0.75 115.29 114.79 1by3 s HIS 612 Ca -0.01 -0.39 -0.10 0.00 -0.15 0.00 0.00 55.06 54.40 1by3 s HIS 612 Cb 0.09 -1.16 0.06 0.00 1.11 0.00 0.00 32.58 32.69 1by3 s HIS 612 CO 0.83 0.14 0.47 1.41 -0.85 0.00 0.00 174.74 176.74 1by3 s MET 613 N -1.38 0.45 0.04 1.40 1.75 0.17 -1.56 119.30 120.18 1by3 s MET 613 Ca 0.09 0.89 -0.01 0.00 -1.25 0.00 0.00 55.69 55.41 1by3 s MET 613 Cb -0.09 0.03 -0.03 0.00 2.84 0.00 0.00 34.83 37.57 1by3 s MET 613 CO 0.03 -0.16 -0.03 0.00 -0.65 0.00 0.00 175.02 174.21 1by3 s ALA 614 N 1.50 0.39 -0.27 4.11 0.00 -0.70 0.11 121.76 126.90 1by3 s ALA 614 Ca -0.09 -1.04 -0.24 0.00 0.00 0.00 0.00 51.96 50.59 1by3 s ALA 614 Cb -0.08 0.24 0.09 0.00 0.00 0.00 0.00 23.12 23.37 1by3 s ALA 614 CO -0.14 -0.32 0.80 -1.54 0.00 0.00 0.00 175.76 174.56 1by3 s SER 615 N -2.54 -0.69 -0.08 0.00 1.04 0.48 -0.35 113.70 111.57 1by3 s SER 615 Ca 0.01 1.30 -0.05 0.00 0.48 0.00 0.00 55.95 57.69 1by3 s SER 615 Cb 0.03 1.31 0.03 0.00 0.10 0.00 0.00 66.02 67.50 1by3 s SER 615 CO -0.08 -0.22 0.18 -0.22 0.98 0.00 0.00 173.24 173.89 1by3 s LEU 616 N 0.50 0.93 0.00 2.42 2.96 0.19 -0.22 118.68 125.45 1by3 s LEU 616 Ca -0.00 0.38 0.00 0.00 -0.22 0.00 0.00 54.13 54.29 1by3 s LEU 616 Cb -0.05 0.56 -0.00 0.00 0.50 0.00 0.00 46.19 47.20 1by3 s LEU 616 CO -0.03 -0.11 -0.01 0.86 -1.32 0.00 0.00 176.35 175.74 1by3 s TRP 617 N 0.70 0.08 0.01 5.38 -0.11 0.23 0.41 118.94 125.64 1by3 s TRP 617 Ca -0.05 -0.06 -0.13 0.00 1.22 0.00 0.00 56.10 57.08 1by3 s TRP 617 Cb -0.06 -0.06 0.02 0.00 -1.50 0.00 0.00 33.47 31.87 1by3 s TRP 617 CO -0.04 -0.02 0.27 0.00 -4.62 0.00 0.00 176.95 172.55 1by3 s ALA 618 N -0.16 -0.65 -0.01 5.86 0.00 -0.71 -0.32 121.76 125.77 1by3 s ALA 618 Ca -0.01 0.12 -0.13 0.00 0.00 0.00 0.00 51.96 51.94 1by3 s ALA 618 Cb -0.01 0.16 0.02 0.00 0.00 0.00 0.00 23.12 23.28 1by3 s ALA 618 CO -0.00 -0.30 0.26 0.16 0.00 0.00 0.00 175.76 175.88 1by3 s ASP 619 N -1.59 -0.13 0.05 0.00 1.47 -0.96 -2.03 116.67 113.49 1by3 s ASP 619 Ca -0.11 -0.00 0.07 0.00 1.18 0.00 0.00 52.55 53.69 1by3 s ASP 619 Cb -0.04 0.28 -0.03 0.00 -0.34 0.00 0.00 42.92 42.79 1by3 s ASP 619 CO 0.01 -0.42 -0.19 -0.47 0.68 0.00 0.00 175.17 174.78 1by3 s TYR 620 N -1.34 1.62 -0.04 2.11 6.14 -0.06 -2.33 117.35 123.45 1by3 s TYR 620 Ca -0.14 -0.38 0.01 0.00 0.64 0.00 0.00 57.07 57.21 1by3 s TYR 620 Cb -0.06 -0.95 0.02 0.00 0.42 0.00 0.00 41.96 41.39 1by3 s TYR 620 CO 0.03 0.09 -0.06 0.99 0.64 0.00 0.00 175.55 177.25 1by3 s THR 621 N -0.89 0.63 -0.26 4.34 2.01 -0.34 -0.87 115.64 120.26 1by3 s THR 621 Ca 0.05 -0.20 -0.24 0.00 0.31 0.00 0.00 61.69 61.62 1by3 s THR 621 Cb -0.09 -0.63 -0.01 0.00 0.01 0.00 0.00 72.50 71.79 1by3 s THR 621 CO 0.02 0.24 0.80 -0.36 -0.69 0.00 0.00 174.62 174.63 1by3 s PHE 622 N 0.77 3.28 -0.26 4.92 0.40 0.02 -4.67 117.98 122.44 1by3 s PHE 622 Ca -0.11 1.02 -0.07 0.00 -0.60 0.00 0.00 56.93 57.17 1by3 s PHE 622 Cb -0.14 -3.08 -0.16 0.00 0.51 0.00 0.00 43.02 40.16 1by3 s PHE 622 CO 0.01 -0.44 -0.21 1.19 0.70 0.00 0.00 175.22 176.47 1by3 n PHE 623 N 6.03 0.16 -4.37 0.36 3.01 -1.26 0.44 117.46 121.83 1by3 n PHE 623 Ca 0.04 0.05 -0.34 0.00 1.01 0.00 0.00 57.45 58.21 1by3 n PHE 623 Cb 0.48 -1.02 -0.13 0.00 -0.01 0.00 0.00 39.48 38.80 1by3 n PHE 623 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1by3 s ASP 624 N -7.00 4.62 0.00 4.37 1.01 -1.26 -4.53 116.67 113.88 1by3 s ASP 624 Ca -0.35 -0.20 0.00 0.00 0.71 0.00 0.00 52.55 52.71 1by3 s ASP 624 Cb 0.11 -1.76 0.00 0.00 1.01 0.00 0.00 42.92 42.29 1by3 s ASP 624 CO 0.57 0.14 0.00 0.61 0.21 0.00 0.00 175.17 176.69 1by3 n GLY 625 N 3.75 0.81 0.11 0.21 0.00 -1.26 -4.77 105.19 104.05 1by3 n GLY 625 Ca -0.18 -2.01 -0.09 0.00 0.00 0.00 0.00 46.02 43.74 1by3 n GLY 625 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1by3 h PRO 626 N 5.05 0.18 -0.80 1.61 0.11 -1.99 -3.19 132.00 132.97 1by3 h PRO 626 Ca 0.00 -0.22 0.00 0.00 0.11 0.00 0.00 66.00 65.89 1by3 h PRO 626 Cb 0.00 0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.18 1by3 h PRO 626 CO 0.00 0.99 0.00 1.28 -0.21 0.00 0.00 178.00 180.06 1by3 n LEU 627 N -3.60 2.63 -4.60 2.35 4.77 -1.26 -4.96 117.00 112.33 1by3 n LEU 627 Ca -0.04 -1.33 -0.46 0.00 -0.03 0.00 0.00 56.01 54.15 1by3 n LEU 627 Cb 0.85 -0.54 -0.02 0.00 -2.33 0.00 0.00 43.42 41.38 1by3 n LEU 627 CO 0.48 0.39 0.68 -1.54 -1.33 0.00 0.00 177.39 176.07 1by3 n SER 628 N 0.23 1.57 0.00 -1.43 3.41 -1.21 -0.85 113.62 115.35 1by3 n SER 628 Ca 0.10 1.17 0.00 0.00 -0.26 0.00 0.00 58.87 59.88 1by3 n SER 628 Cb 0.57 -1.30 0.00 0.00 -0.26 0.00 0.00 64.21 63.22 1by3 n SER 628 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1by3 n GLY 629 N 1.54 0.94 3.78 5.00 0.00 0.17 -4.86 105.19 111.75 1by3 n GLY 629 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 1by3 n GLY 629 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1by3 s LEU 630 N 0.00 4.40 0.07 0.99 1.98 -0.03 -0.71 118.68 125.38 1by3 s LEU 630 Ca 0.00 0.98 0.08 0.00 -2.89 0.00 0.00 54.13 52.30 1by3 s LEU 630 Cb 0.00 -2.72 -0.03 0.00 0.66 0.00 0.00 46.19 44.10 1by3 s LEU 630 CO 0.00 0.16 -0.21 -0.89 -1.89 0.00 0.00 176.35 173.52 1by3 s THR 631 N -0.29 1.71 -0.02 3.68 2.01 0.12 -0.80 115.64 122.05 1by3 s THR 631 Ca 0.26 -1.35 -0.00 0.00 0.31 0.00 0.00 61.69 60.91 1by3 s THR 631 Cb -0.17 -1.51 0.02 0.00 0.01 0.00 0.00 72.50 70.85 1by3 s THR 631 CO 0.14 0.10 0.03 -0.76 -0.69 0.00 0.00 174.62 173.43 1by3 s LEU 632 N -1.49 1.45 0.03 4.42 1.43 -0.05 -1.95 118.68 122.53 1by3 s LEU 632 Ca 0.07 0.05 -0.06 0.00 -1.03 0.00 0.00 54.13 53.15 1by3 s LEU 632 Cb -0.09 0.00 -0.01 0.00 0.03 0.00 0.00 46.19 46.12 1by3 s LEU 632 CO 0.03 -0.07 0.12 -0.83 0.23 0.00 0.00 176.35 175.82 1by3 s GLY 633 N 0.60 0.13 0.06 -3.19 0.00 -0.67 -0.88 107.32 103.36 1by3 s GLY 633 Ca -0.05 -0.43 -0.11 0.00 0.00 0.00 0.00 44.72 44.13 1by3 s GLY 633 CO -0.02 -0.57 0.25 -1.59 0.00 0.00 0.00 173.10 171.17 1by3 s THR 634 N -2.37 0.10 0.07 0.90 2.01 -0.86 -0.29 115.64 115.20 1by3 s THR 634 Ca -0.07 -0.84 -0.26 0.00 0.31 0.00 0.00 61.69 60.83 1by3 s THR 634 Cb -0.02 -1.03 0.08 0.00 0.01 0.00 0.00 72.50 71.54 1by3 s THR 634 CO -0.03 -0.47 0.68 -0.83 -0.69 0.00 0.00 174.62 173.28 1by3 s GLY 635 N -2.28 -0.57 -0.03 4.40 0.00 -0.49 -1.74 107.32 106.61 1by3 s GLY 635 Ca -0.02 0.85 0.01 0.00 0.00 0.00 0.00 44.72 45.55 1by3 s GLY 635 CO -0.06 0.43 -0.02 -0.32 0.00 0.00 0.00 173.10 173.13 1by3 s GLY 636 N -2.24 0.29 -0.24 0.20 0.00 0.17 -1.19 107.32 104.31 1by3 s GLY 636 Ca -0.02 0.05 -0.00 0.00 0.00 0.00 0.00 44.72 44.75 1by3 s GLY 636 CO -0.06 0.41 -0.09 0.50 0.00 0.00 0.00 173.10 173.86 1by3 s ARG 637 N 0.77 2.73 -0.16 2.90 3.00 -0.72 -0.64 118.95 126.84 1by3 s ARG 637 Ca -0.09 -1.04 -0.11 0.00 0.00 0.00 0.00 55.73 54.49 1by3 s ARG 637 Cb -0.12 -2.91 -0.05 0.00 0.00 0.00 0.00 34.95 31.88 1by3 s ARG 637 CO -0.01 -0.41 0.21 -0.47 0.00 0.00 0.00 175.30 174.62 1by3 s TYR 638 N 1.27 3.48 -0.22 -0.53 5.04 0.53 -2.05 117.35 124.89 1by3 s TYR 638 Ca -0.01 0.51 0.02 0.00 -2.44 0.00 0.00 57.07 55.15 1by3 s TYR 638 Cb -0.17 -2.20 0.04 0.00 0.35 0.00 0.00 41.96 39.99 1by3 s TYR 638 CO -0.06 0.38 -0.13 0.99 -1.34 0.00 0.00 175.55 175.38 1by3 s THR 639 N 0.05 1.98 1.17 4.34 2.01 -0.03 -1.73 115.64 123.43 1by3 s THR 639 Ca 0.13 -1.24 -0.15 0.00 0.31 0.00 0.00 61.69 60.74 1by3 s THR 639 Cb -0.12 -1.98 0.27 0.00 0.01 0.00 0.00 72.50 70.67 1by3 s THR 639 CO 0.02 0.20 1.05 -0.83 -0.69 0.00 0.00 174.62 174.37 1by3 s GLY 640 N 1.25 1.53 1.03 4.40 0.00 -0.60 -0.63 107.32 114.30 1by3 s GLY 640 Ca -0.02 -0.48 -0.12 0.00 0.00 0.00 0.00 44.72 44.09 1by3 s GLY 640 CO -0.08 0.29 1.08 -1.35 0.00 0.00 0.00 173.10 173.04 1by3 s SER 641 N -3.16 2.28 0.18 1.64 1.04 -1.26 -4.47 113.70 109.95 1by3 s SER 641 Ca 0.68 1.24 -0.22 0.00 0.48 0.00 0.00 55.95 58.13 1by3 s SER 641 Cb -0.19 -1.92 0.06 0.00 0.10 0.00 0.00 66.02 64.07 1by3 s SER 641 CO 0.60 -3.35 0.61 -0.94 0.98 0.00 0.00 173.24 171.13 1by3 s SER 642 N -3.29 -0.48 0.16 7.02 1.04 -0.72 -3.99 113.70 113.45 1by3 s SER 642 Ca 0.66 -0.16 -0.27 0.00 0.48 0.00 0.00 55.95 56.66 1by3 s SER 642 Cb -0.20 0.62 -0.08 0.00 0.10 0.00 0.00 66.02 66.46 1by3 s SER 642 CO 0.59 -1.04 0.84 -0.31 0.98 0.00 0.00 173.24 174.30 1by3 s TYR 643 N -3.79 3.90 -1.30 5.02 2.02 -1.26 0.15 117.35 122.08 1by3 s TYR 643 Ca 0.03 1.71 0.28 0.00 -0.37 0.00 0.00 57.07 58.73 1by3 s TYR 643 Cb -0.02 -2.87 1.14 0.00 -0.40 0.00 0.00 41.96 39.82 1by3 s TYR 643 CO -0.09 0.43 1.83 0.41 -1.57 0.00 0.00 175.55 176.56 1by3 n GLY 644 N 1.75 -1.22 3.57 0.71 0.00 0.03 -2.23 105.19 107.80 1by3 n GLY 644 Ca -0.03 -0.21 -0.09 0.00 0.00 0.00 0.00 46.02 45.68 1by3 n GLY 644 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1by3 s ASP 645 N -2.75 -0.30 0.35 1.61 1.47 -1.26 -0.06 116.67 115.73 1by3 s ASP 645 Ca 0.21 -0.44 0.26 0.00 1.18 0.00 0.00 52.55 53.76 1by3 s ASP 645 Cb 0.19 0.61 1.21 0.00 -0.34 0.00 0.00 42.92 44.59 1by3 s ASP 645 CO 0.53 -1.09 1.79 1.55 0.68 0.00 0.00 175.17 178.63 1by3 h PRO 646 N 2.13 0.00 -0.01 2.11 0.13 -1.88 -1.30 132.00 133.19 1by3 h PRO 646 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1by3 h PRO 646 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1by3 h PRO 646 CO 0.35 0.00 -0.14 0.00 -0.23 0.00 0.00 178.00 177.98 1by3 n ALA 647 N -1.85 2.84 -2.94 -0.56 0.00 -1.26 -4.79 120.51 111.96 1by3 n ALA 647 Ca 0.01 -0.38 -0.19 0.00 0.00 0.00 0.00 53.44 52.87 1by3 n ALA 647 Cb 0.18 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.43 1by3 n ALA 647 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1by3 n ASN 648 N -0.50 -4.48 0.00 0.00 4.13 -0.49 -4.84 115.26 109.08 1by3 n ASN 648 Ca 0.15 -0.16 0.13 0.00 1.68 0.00 0.00 54.58 56.38 1by3 n ASN 648 Cb 0.32 -3.71 0.59 0.00 -1.54 0.00 0.00 39.78 35.44 1by3 n ASN 648 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1by3 n SER 649 N -2.18 0.00 -3.52 6.41 3.41 -1.26 -4.85 113.62 111.63 1by3 n SER 649 Ca -0.09 0.34 -0.15 0.00 -0.26 0.00 0.00 58.87 58.71 1by3 n SER 649 Cb 0.59 -0.44 -0.05 0.00 -0.26 0.00 0.00 64.21 64.05 1by3 n SER 649 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1by3 s PHE 650 N -2.89 -0.55 0.36 7.33 -0.12 -1.26 -5.08 117.98 115.78 1by3 s PHE 650 Ca 0.16 0.83 0.08 0.00 -0.05 0.00 0.00 56.93 57.95 1by3 s PHE 650 Cb 0.17 0.45 -0.04 0.00 -0.63 0.00 0.00 43.02 42.97 1by3 s PHE 650 CO 0.46 -0.58 0.15 0.15 -0.05 0.00 0.00 175.22 175.35 1by3 s LYS 651 N -1.69 2.31 -0.14 1.99 1.02 -1.26 -0.79 119.74 121.18 1by3 s LYS 651 Ca -0.06 -1.65 0.02 0.00 0.02 0.00 0.00 55.97 54.30 1by3 s LYS 651 Cb -0.00 -2.11 0.01 0.00 -0.52 0.00 0.00 37.83 35.21 1by3 s LYS 651 CO 0.03 0.03 -0.21 0.08 -0.92 0.00 0.00 175.35 174.36 1by3 s VAL 652 N -2.49 2.12 0.38 3.17 1.01 0.39 -4.73 120.40 120.25 1by3 s VAL 652 Ca 0.39 -0.96 -0.27 0.00 0.00 0.00 0.00 61.98 61.14 1by3 s VAL 652 Cb -0.01 -1.85 -0.11 0.00 0.00 0.00 0.00 36.38 34.42 1by3 s VAL 652 CO 0.23 0.55 1.32 0.61 0.00 0.00 0.00 175.10 177.80 1by3 n GLY 653 N 4.04 0.68 3.67 4.51 0.00 -1.26 -1.75 105.19 115.09 1by3 n GLY 653 Ca -0.20 0.27 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 1by3 n GLY 653 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1by3 s SER 654 N -0.36 2.96 0.14 1.61 1.04 -1.26 -4.71 113.70 113.12 1by3 s SER 654 Ca 0.57 1.67 -0.18 0.00 0.48 0.00 0.00 55.95 58.49 1by3 s SER 654 Cb -0.53 -2.31 0.04 0.00 0.10 0.00 0.00 66.02 63.32 1by3 s SER 654 CO 0.61 -2.99 0.46 -0.72 0.98 0.00 0.00 173.24 171.58 1by3 s TYR 655 N -2.78 -0.28 -0.07 5.02 -0.85 0.20 -4.91 117.35 113.69 1by3 s TYR 655 Ca 0.65 -0.02 0.01 0.00 -0.52 0.00 0.00 57.07 57.19 1by3 s TYR 655 Cb -0.20 0.34 0.02 0.00 0.38 0.00 0.00 41.96 42.50 1by3 s TYR 655 CO 0.59 -0.75 -0.07 0.99 -1.52 0.00 0.00 175.55 174.78 1by3 s THR 656 N -3.80 0.81 -0.05 -3.49 2.01 -1.26 -0.85 115.64 109.00 1by3 s THR 656 Ca 0.03 -0.23 0.04 0.00 0.31 0.00 0.00 61.69 61.84 1by3 s THR 656 Cb 0.01 -0.81 -0.02 0.00 0.01 0.00 0.00 72.50 71.68 1by3 s THR 656 CO -0.12 0.30 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.25 1by3 s VAL 657 N 1.19 2.75 -0.07 3.82 1.01 -0.87 -4.97 120.40 123.27 1by3 s VAL 657 Ca -0.06 -0.83 0.03 0.00 0.00 0.00 0.00 61.98 61.13 1by3 s VAL 657 Cb -0.14 -2.06 -0.02 0.00 0.00 0.00 0.00 36.38 34.16 1by3 s VAL 657 CO -0.02 0.58 -0.17 -0.69 0.00 0.00 0.00 175.10 174.80 1by3 s VAL 658 N -0.54 2.80 0.10 2.92 1.01 -1.26 -1.75 120.40 123.68 1by3 s VAL 658 Ca 0.07 -0.80 0.10 0.00 0.00 0.00 0.00 61.98 61.35 1by3 s VAL 658 Cb -0.11 -2.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.13 1by3 s VAL 658 CO 0.01 0.57 -0.26 -1.81 0.00 0.00 0.00 175.10 173.61 1by3 s ASP 659 N -0.31 3.11 0.21 3.32 1.01 -0.33 -0.33 116.67 123.35 1by3 s ASP 659 Ca 0.02 -0.69 0.04 0.00 0.71 0.00 0.00 52.55 52.63 1by3 s ASP 659 Cb -0.13 -0.22 -0.05 0.00 1.01 0.00 0.00 42.92 43.53 1by3 s ASP 659 CO 0.03 0.18 -0.05 0.00 0.21 0.00 0.00 175.17 175.53 1by3 s ALA 660 N -1.01 1.75 -0.17 5.23 0.00 0.26 -1.40 121.76 126.43 1by3 s ALA 660 Ca 0.12 -1.68 -0.16 0.00 0.00 0.00 0.00 51.96 50.24 1by3 s ALA 660 Cb -0.10 0.28 0.04 0.00 0.00 0.00 0.00 23.12 23.35 1by3 s ALA 660 CO 0.05 -0.16 0.45 -1.17 0.00 0.00 0.00 175.76 174.92 1by3 s LEU 661 N -3.27 0.26 -0.15 0.00 2.96 0.60 -2.04 118.68 117.04 1by3 s LEU 661 Ca 0.24 0.91 -0.03 0.00 -0.22 0.00 0.00 54.13 55.03 1by3 s LEU 661 Cb 0.04 1.55 0.05 0.00 0.50 0.00 0.00 46.19 48.33 1by3 s LEU 661 CO 0.06 -0.16 0.06 -0.69 -1.32 0.00 0.00 176.35 174.30 1by3 s VAL 662 N 0.27 0.17 0.02 1.68 1.01 -0.38 -1.68 120.40 121.49 1by3 s VAL 662 Ca -0.00 -0.19 0.07 0.00 0.00 0.00 0.00 61.98 61.85 1by3 s VAL 662 Cb -0.03 -0.67 -0.02 0.00 0.00 0.00 0.00 36.38 35.65 1by3 s VAL 662 CO 0.00 -0.14 -0.20 -0.60 0.00 0.00 0.00 175.10 174.16 1by3 s ARG 663 N 2.03 1.47 -0.19 2.72 3.52 -0.82 -0.16 118.95 127.52 1by3 s ARG 663 Ca 0.02 -0.83 -0.02 0.00 -0.13 0.00 0.00 55.73 54.76 1by3 s ARG 663 Cb -0.15 -1.51 0.06 0.00 -1.56 0.00 0.00 34.95 31.78 1by3 s ARG 663 CO -0.07 0.40 0.02 -0.47 -0.81 0.00 0.00 175.30 174.36 1by3 s TYR 664 N -0.65 1.22 0.46 5.12 5.04 -0.15 0.14 117.35 128.53 1by3 s TYR 664 Ca 0.07 -0.93 -0.25 0.00 -2.44 0.00 0.00 57.07 53.53 1by3 s TYR 664 Cb -0.08 -1.10 -0.08 0.00 0.35 0.00 0.00 41.96 41.05 1by3 s TYR 664 CO 0.01 -0.61 1.40 -3.47 -1.34 0.00 0.00 175.55 171.54 1by3 n ASP 665 N 5.00 3.11 -1.92 4.32 2.03 0.12 -2.52 116.55 126.69 1by3 n ASP 665 Ca -0.09 1.10 -0.05 0.00 0.52 0.00 0.00 54.79 56.26 1by3 n ASP 665 Cb 0.47 -1.58 0.30 0.00 -0.72 0.00 0.00 41.12 39.59 1by3 n ASP 665 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1by3 n LEU 666 N -0.25 5.92 0.01 -2.67 4.77 -0.85 -4.49 117.00 119.44 1by3 n LEU 666 Ca 0.06 -3.23 0.01 0.00 -0.03 0.00 0.00 56.01 52.82 1by3 n LEU 666 Cb 0.42 -0.73 0.34 0.00 -2.33 0.00 0.00 43.42 41.11 1by3 n LEU 666 CO 0.58 0.82 1.00 0.00 -1.33 0.00 0.00 177.39 178.46 1by3 h ALA 667 N 2.60 1.48 0.28 -1.18 0.00 -1.71 0.03 119.26 120.74 1by3 h ALA 667 Ca 0.25 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1by3 h ALA 667 Cb 2.27 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.90 1by3 h ALA 667 CO 0.70 0.38 -0.24 0.00 0.00 0.00 0.00 179.25 180.10 1by3 h ARG 668 N 0.50 -0.48 0.00 0.00 2.47 -1.86 -2.50 114.38 112.51 1by3 h ARG 668 Ca 0.12 0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.87 1by3 h ARG 668 Cb 0.22 0.11 0.00 0.00 -1.65 0.00 0.00 29.97 28.65 1by3 h ARG 668 CO -0.00 -0.32 0.05 1.33 0.56 0.00 0.00 179.97 181.58 1by3 n VAL 669 N -3.76 1.38 0.00 2.04 0.24 -1.19 -4.78 118.33 112.25 1by3 n VAL 669 Ca -0.06 0.63 0.00 0.00 -2.04 0.00 0.00 64.34 62.87 1by3 n VAL 669 Cb 0.22 -1.63 0.00 0.00 -1.47 0.00 0.00 33.84 30.96 1by3 n VAL 669 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1by3 n GLY 670 N -1.37 0.73 2.95 7.63 0.00 -0.94 -5.11 105.19 109.07 1by3 n GLY 670 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1by3 n GLY 670 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1by3 s MET 671 N 0.00 1.55 0.51 1.61 -1.94 -0.02 -4.97 119.30 116.04 1by3 s MET 671 Ca 0.00 -1.26 -0.13 0.00 -1.71 0.00 0.00 55.69 52.59 1by3 s MET 671 Cb 0.00 -2.70 -0.06 0.00 2.01 0.00 0.00 34.83 34.08 1by3 s MET 671 CO 0.00 -0.73 0.93 0.00 -0.01 0.00 0.00 175.02 175.22 1by3 s ALA 672 N 1.27 3.16 0.00 3.03 0.00 -1.26 -2.31 121.76 125.65 1by3 s ALA 672 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 51.96 51.94 1by3 s ALA 672 Cb -0.19 -2.98 0.00 0.00 0.00 0.00 0.00 23.12 19.95 1by3 s ALA 672 CO -0.09 -0.30 0.00 0.41 0.00 0.00 0.00 175.76 175.78 1by3 n GLY 673 N -1.84 2.15 3.89 0.00 0.00 -1.26 -4.79 105.19 103.34 1by3 n GLY 673 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 1by3 n GLY 673 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1by3 s SER 674 N 0.00 6.15 0.10 1.61 0.01 -1.24 -4.73 113.70 115.60 1by3 s SER 674 Ca 0.00 1.09 -0.26 0.00 1.31 0.00 0.00 55.95 58.09 1by3 s SER 674 Cb 0.00 -2.26 0.08 0.00 0.21 0.00 0.00 66.02 64.04 1by3 s SER 674 CO 0.00 -0.76 0.84 0.54 0.41 0.00 0.00 173.24 174.27 1by3 s ASN 675 N -4.16 -0.33 0.06 2.44 4.22 -0.58 -2.00 114.94 114.58 1by3 s ASN 675 Ca 0.51 -0.19 0.09 0.00 -2.14 0.00 0.00 52.86 51.14 1by3 s ASN 675 Cb -0.11 0.49 -0.03 0.00 1.28 0.00 0.00 41.25 42.88 1by3 s ASN 675 CO 0.48 -0.84 -0.26 -0.69 -2.04 0.00 0.00 177.10 173.75 1by3 s VAL 676 N -3.36 2.14 0.04 3.54 1.01 -1.05 -1.71 120.40 121.00 1by3 s VAL 676 Ca 0.07 -1.44 -0.06 0.00 0.00 0.00 0.00 61.98 60.55 1by3 s VAL 676 Cb -0.02 -1.84 -0.01 0.00 0.00 0.00 0.00 36.38 34.51 1by3 s VAL 676 CO -0.05 0.31 0.10 0.00 0.00 0.00 0.00 175.10 175.47 1by3 s ALA 677 N -0.85 -0.08 -0.12 5.51 0.00 0.13 -0.97 121.76 125.39 1by3 s ALA 677 Ca 0.12 -0.55 -0.02 0.00 0.00 0.00 0.00 51.96 51.51 1by3 s ALA 677 Cb -0.10 0.26 0.04 0.00 0.00 0.00 0.00 23.12 23.32 1by3 s ALA 677 CO 0.03 -0.33 0.02 -1.17 0.00 0.00 0.00 175.76 174.31 1by3 s LEU 678 N -2.15 0.76 0.03 0.00 1.98 0.78 -1.02 118.68 119.05 1by3 s LEU 678 Ca -0.04 -0.36 0.03 0.00 -2.89 0.00 0.00 54.13 50.87 1by3 s LEU 678 Cb -0.01 -0.48 -0.04 0.00 0.66 0.00 0.00 46.19 46.33 1by3 s LEU 678 CO -0.05 -0.24 -0.04 -1.00 -1.89 0.00 0.00 176.35 173.13 1by3 s HIS 679 N 1.95 2.94 -0.07 5.38 3.76 0.05 -1.25 115.29 128.05 1by3 s HIS 679 Ca 0.03 -0.02 -0.02 0.00 -0.15 0.00 0.00 55.06 54.90 1by3 s HIS 679 Cb -0.14 -1.60 0.04 0.00 1.11 0.00 0.00 32.58 31.99 1by3 s HIS 679 CO -0.06 0.42 0.06 0.08 -0.85 0.00 0.00 174.74 174.39 1by3 s VAL 680 N -1.10 -0.05 -0.01 -0.90 1.01 -0.87 -1.06 120.40 117.43 1by3 s VAL 680 Ca 0.20 0.29 0.02 0.00 0.00 0.00 0.00 61.98 62.49 1by3 s VAL 680 Cb -0.11 -0.27 -0.03 0.00 0.00 0.00 0.00 36.38 35.96 1by3 s VAL 680 CO 0.11 0.10 -0.04 0.20 0.00 0.00 0.00 175.10 175.48 1by3 s ASN 681 N 2.14 4.86 -1.15 3.32 -0.87 -0.26 -0.57 114.94 122.41 1by3 s ASN 681 Ca 0.04 -0.07 -0.05 0.00 -1.57 0.00 0.00 52.86 51.22 1by3 s ASN 681 Cb -0.13 -1.21 -0.03 0.00 -0.02 0.00 0.00 41.25 39.87 1by3 s ASN 681 CO -0.04 0.29 0.89 -3.20 -2.57 0.00 0.00 177.10 172.47 1by3 n ASN 682 N 1.54 -4.01 -0.25 -1.22 2.85 -0.76 -1.36 115.26 112.04 1by3 n ASN 682 Ca -0.15 -0.73 0.04 0.00 -0.11 0.00 0.00 54.58 53.63 1by3 n ASN 682 Cb 0.53 -4.78 0.15 0.00 1.24 0.00 0.00 39.78 36.91 1by3 n ASN 682 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 1by3 h LEU 683 N -1.58 -0.40 -1.68 1.20 5.85 -0.91 0.15 115.31 117.94 1by3 h LEU 683 Ca -0.61 0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.31 1by3 h LEU 683 Cb 1.33 0.36 0.00 0.00 0.37 0.00 0.00 40.66 42.73 1by3 h LEU 683 CO 0.49 -0.19 0.00 0.49 -0.34 0.00 0.00 178.44 178.89 1by3 n PHE 684 N -5.37 0.57 -3.98 1.25 3.72 -1.26 -4.89 117.46 107.50 1by3 n PHE 684 Ca 0.13 -0.20 -0.28 0.00 -0.05 0.00 0.00 57.45 57.05 1by3 n PHE 684 Cb 0.46 -0.21 -0.06 0.00 -0.94 0.00 0.00 39.48 38.73 1by3 n PHE 684 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1by3 n ASP 685 N 0.17 -0.18 -4.77 4.37 2.03 0.51 -4.86 116.55 113.82 1by3 n ASP 685 Ca 0.08 -1.04 -0.38 0.00 0.52 0.00 0.00 54.79 53.97 1by3 n ASP 685 Cb 0.50 -1.28 -0.01 0.00 -0.72 0.00 0.00 41.12 39.61 1by3 n ASP 685 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 1by3 s ARG 686 N -6.65 3.91 -0.34 -0.67 6.06 -1.26 -4.83 118.95 115.16 1by3 s ARG 686 Ca 0.09 1.84 -0.04 0.00 -2.50 0.00 0.00 55.73 55.13 1by3 s ARG 686 Cb -0.05 -2.56 0.06 0.00 0.06 0.00 0.00 34.95 32.46 1by3 s ARG 686 CO 0.80 -0.45 0.09 -2.00 -2.50 0.00 0.00 175.30 171.24 1by3 s GLU 687 N -2.47 2.40 0.08 5.12 2.12 -1.26 -4.79 118.70 119.90 1by3 s GLU 687 Ca 0.60 -1.37 -0.01 0.00 0.36 0.00 0.00 54.97 54.55 1by3 s GLU 687 Cb -0.30 -3.38 -0.04 0.00 0.26 0.00 0.00 34.13 30.67 1by3 s GLU 687 CO 0.38 -0.75 -0.00 1.52 -0.54 0.00 0.00 175.26 175.87 1by3 s TYR 688 N 1.28 0.63 -0.20 5.30 -0.85 -1.26 -5.05 117.35 117.20 1by3 s TYR 688 Ca -0.01 -1.12 -0.11 0.00 -0.52 0.00 0.00 57.07 55.30 1by3 s TYR 688 Cb -0.20 -0.42 -0.05 0.00 0.38 0.00 0.00 41.96 41.67 1by3 s TYR 688 CO -0.00 -0.43 0.19 0.14 -1.52 0.00 0.00 175.55 173.93 1by3 s VAL 689 N -3.96 5.36 0.24 -3.49 -7.23 -1.26 0.22 120.40 110.27 1by3 s VAL 689 Ca 0.13 0.30 -0.06 0.00 -1.81 0.00 0.00 61.98 60.53 1by3 s VAL 689 Cb 0.08 -3.53 0.19 0.00 0.56 0.00 0.00 36.38 33.67 1by3 s VAL 689 CO -0.06 0.39 1.83 0.00 -0.31 0.00 0.00 175.10 176.94 1by3 h ALA 690 N 6.99 1.14 0.00 1.32 0.00 -0.81 -3.45 119.26 124.45 1by3 h ALA 690 Ca -0.40 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1by3 h ALA 690 Cb 1.16 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1by3 h ALA 690 CO 0.72 0.65 0.00 -1.13 0.00 0.00 0.00 179.25 179.49 1by3 n SER 691 N -4.31 0.00 -3.80 0.00 3.41 -1.25 -4.82 113.62 102.85 1by3 n SER 691 Ca 0.08 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.56 1by3 n SER 691 Cb 0.14 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 63.97 1by3 n SER 691 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1by3 n PHE 693 N 3.11 0.00 -3.77 0.00 -1.74 -0.52 -4.16 117.46 110.38 1by3 n PHE 693 Ca -0.14 0.00 0.04 0.00 -0.56 0.00 0.00 57.45 56.79 1by3 n PHE 693 Cb 0.58 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.59 1by3 n PHE 693 CO 0.00 0.00 0.00 1.21 -0.56 0.00 0.00 176.76 177.41 1by3 s ASN 694 N -1.87 -0.00 0.44 5.98 3.04 0.91 -4.55 114.94 118.88 1by3 s ASN 694 Ca 0.24 -0.01 0.10 0.00 0.04 0.00 0.00 52.86 53.23 1by3 s ASN 694 Cb 0.18 0.01 0.97 0.00 -1.54 0.00 0.00 41.25 40.87 1by3 s ASN 694 CO 0.31 -0.02 2.05 0.71 -3.04 0.00 0.00 177.10 177.11 1by3 h THR 695 N 2.00 1.09 -0.62 -5.21 1.35 -1.95 -2.40 112.91 107.16 1by3 h THR 695 Ca -0.27 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.31 1by3 h THR 695 Cb 1.18 0.84 0.00 0.00 -1.73 0.00 0.00 68.15 68.44 1by3 h THR 695 CO 0.30 0.11 0.00 0.00 -0.25 0.00 0.00 175.52 175.67 1by3 n TYR 696 N -4.45 1.16 -3.47 4.73 0.18 -1.26 -1.07 117.16 112.98 1by3 n TYR 696 Ca 0.00 -0.57 -0.27 0.00 1.88 0.00 0.00 57.90 58.93 1by3 n TYR 696 Cb 0.12 -0.14 -0.11 0.00 -0.38 0.00 0.00 39.34 38.84 1by3 n TYR 696 CO 0.00 0.00 0.00 0.20 -2.08 0.00 0.00 176.86 174.98 1by3 s GLY 697 N -1.00 1.38 0.24 -7.48 0.00 -0.90 -3.95 107.32 95.60 1by3 s GLY 697 Ca 0.47 -2.55 0.11 0.00 0.00 0.00 0.00 44.72 42.74 1by3 s GLY 697 CO 0.26 1.98 -0.19 0.00 0.00 0.00 0.00 173.10 175.14 1by3 s PHE 699 N -2.50 0.58 0.42 0.00 0.08 -0.69 -2.93 117.98 112.95 1by3 s PHE 699 Ca 0.26 -0.12 -0.26 0.00 0.12 0.00 0.00 56.93 56.94 1by3 s PHE 699 Cb -0.04 -0.68 -0.09 0.00 -0.57 0.00 0.00 43.02 41.65 1by3 s PHE 699 CO 0.12 -0.25 1.35 -1.58 -0.10 0.00 0.00 175.22 174.76 1by3 s TRP 700 N 1.56 2.68 1.03 0.36 0.23 -1.26 -0.17 118.94 123.36 1by3 s TRP 700 Ca -0.02 1.35 -0.17 0.00 -2.03 0.00 0.00 56.10 55.23 1by3 s TRP 700 Cb -0.13 -3.76 0.25 0.00 0.03 0.00 0.00 33.47 29.86 1by3 s TRP 700 CO -0.03 -2.41 1.07 0.41 0.96 0.00 0.00 176.95 176.95 1by3 n GLY 701 N 0.63 -2.26 3.72 0.98 0.00 0.13 -2.63 105.19 105.76 1by3 n GLY 701 Ca 0.04 -1.57 -0.40 0.00 0.00 0.00 0.00 46.02 44.09 1by3 n GLY 701 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1by3 s ALA 702 N -3.38 3.35 0.98 4.61 0.00 -1.26 -4.46 121.76 121.60 1by3 s ALA 702 Ca 0.66 0.14 -0.12 0.00 0.00 0.00 0.00 51.96 52.64 1by3 s ALA 702 Cb -0.05 -2.94 0.18 0.00 0.00 0.00 0.00 23.12 20.31 1by3 s ALA 702 CO 0.49 -0.07 1.11 -1.21 0.00 0.00 0.00 175.76 176.08 1by3 s GLU 703 N 0.64 0.60 0.31 0.00 2.02 -1.26 -4.90 118.70 116.10 1by3 s GLU 703 Ca 0.37 0.44 -0.28 0.00 0.02 0.00 0.00 54.97 55.52 1by3 s GLU 703 Cb -0.18 -1.76 -0.13 0.00 0.10 0.00 0.00 34.13 32.16 1by3 s GLU 703 CO 0.19 -2.60 1.19 -2.13 0.02 0.00 0.00 175.26 171.93 1by3 n ARG 704 N -4.07 1.80 -4.28 1.61 0.63 -1.26 -4.83 116.66 106.26 1by3 n ARG 704 Ca 0.05 0.63 -0.18 0.00 -0.92 0.00 0.00 57.85 57.43 1by3 n ARG 704 Cb 0.58 -2.14 -0.15 0.00 0.45 0.00 0.00 32.46 31.20 1by3 n ARG 704 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 1by3 s GLN 705 N -1.58 0.71 -0.08 -0.14 0.74 -0.46 -4.98 119.66 113.87 1by3 s GLN 705 Ca 0.58 -0.24 0.04 0.00 0.05 0.00 0.00 55.36 55.79 1by3 s GLN 705 Cb -0.63 -0.69 0.00 0.00 1.10 0.00 0.00 33.01 32.79 1by3 s GLN 705 CO 0.60 0.10 -0.19 0.14 -0.55 0.00 0.00 175.29 175.39 1by3 s VAL 706 N 0.13 1.66 -0.03 1.34 -7.23 -1.26 -1.10 120.40 113.91 1by3 s VAL 706 Ca -0.02 -0.80 0.01 0.00 -1.81 0.00 0.00 61.98 59.37 1by3 s VAL 706 Cb -0.07 -1.46 0.02 0.00 0.56 0.00 0.00 36.38 35.43 1by3 s VAL 706 CO -0.00 0.47 -0.04 -0.69 -0.31 0.00 0.00 175.10 174.53 1by3 s VAL 707 N 0.40 0.47 -0.18 1.32 1.01 -0.22 -1.12 120.40 122.07 1by3 s VAL 707 Ca -0.15 -0.14 -0.08 0.00 0.00 0.00 0.00 61.98 61.61 1by3 s VAL 707 Cb -0.16 -0.48 -0.04 0.00 0.00 0.00 0.00 36.38 35.70 1by3 s VAL 707 CO 0.06 0.19 0.08 0.00 0.00 0.00 0.00 175.10 175.43 1by3 s ALA 708 N 0.62 3.51 -0.09 5.51 0.00 0.23 -0.77 121.76 130.76 1by3 s ALA 708 Ca -0.08 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.16 1by3 s ALA 708 Cb -0.11 -1.99 0.02 0.00 0.00 0.00 0.00 23.12 21.04 1by3 s ALA 708 CO -0.00 0.19 -0.07 0.99 0.00 0.00 0.00 175.76 176.87 1by3 s THR 709 N 0.31 0.93 -0.27 0.00 2.01 -0.19 -1.21 115.64 117.22 1by3 s THR 709 Ca 0.05 -0.27 -0.05 0.00 0.31 0.00 0.00 61.69 61.74 1by3 s THR 709 Cb -0.12 -0.94 0.01 0.00 0.01 0.00 0.00 72.50 71.46 1by3 s THR 709 CO -0.00 0.34 0.02 0.00 -0.69 0.00 0.00 174.62 174.28 1by3 s ALA 710 N 1.43 2.91 -0.24 7.40 0.00 0.60 -0.69 121.76 133.16 1by3 s ALA 710 Ca -0.01 -1.42 0.02 0.00 0.00 0.00 0.00 51.96 50.56 1by3 s ALA 710 Cb -0.13 -1.93 0.06 0.00 0.00 0.00 0.00 23.12 21.11 1by3 s ALA 710 CO -0.04 -0.82 -0.10 -0.08 0.00 0.00 0.00 175.76 174.72 1by3 s THR 711 N 1.44 1.94 -0.14 0.00 -1.32 -0.70 0.38 115.64 117.24 1by3 s THR 711 Ca 0.02 -1.44 -0.05 0.00 -1.21 0.00 0.00 61.69 59.01 1by3 s THR 711 Cb -0.17 -2.08 -0.03 0.00 -1.51 0.00 0.00 72.50 68.71 1by3 s THR 711 CO -0.01 -0.01 0.02 -0.36 -2.21 0.00 0.00 174.62 172.05 1by3 s PHE 712 N 1.22 3.17 -0.14 9.09 0.08 0.32 -1.52 117.98 130.19 1by3 s PHE 712 Ca -0.07 0.02 0.02 0.00 0.12 0.00 0.00 56.93 57.03 1by3 s PHE 712 Cb -0.19 -1.95 0.01 0.00 -0.57 0.00 0.00 43.02 40.32 1by3 s PHE 712 CO -0.06 0.22 -0.20 1.03 -0.10 0.00 0.00 175.22 176.11 1by3 s ARG 713 N -0.08 3.07 0.00 0.44 0.52 -1.26 -0.88 118.95 120.76 1by3 s ARG 713 Ca 0.05 -0.83 0.22 0.00 -0.52 0.00 0.00 55.73 54.65 1by3 s ARG 713 Cb -0.13 -2.47 0.18 0.00 0.52 0.00 0.00 34.95 33.05 1by3 s ARG 713 CO 0.02 0.01 1.20 1.19 0.02 0.00 0.00 175.30 177.74