#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yr0 s HIS 18 N 0.00 3.78 0.57 0.00 0.09 -1.26 -5.03 115.29 113.44 2yr0 s HIS 18 Ca 0.00 1.48 -0.21 0.00 -0.00 0.00 0.00 55.06 56.34 2yr0 s HIS 18 Cb 0.00 -2.67 -0.04 0.00 -0.00 0.00 0.00 32.58 29.87 2yr0 s HIS 18 CO 0.00 0.45 1.33 -2.14 -0.00 0.00 0.00 174.74 174.38 2yr0 s PRO 19 N -1.50 3.03 0.24 8.40 0.02 -1.26 -4.62 135.00 139.31 2yr0 s PRO 19 Ca 0.38 2.16 -0.15 0.00 0.02 0.00 0.00 61.00 63.41 2yr0 s PRO 19 Cb -0.20 -2.16 0.29 0.00 0.02 0.00 0.00 34.50 32.45 2yr0 s PRO 19 CO 0.23 -1.25 1.51 -2.30 -0.33 0.00 0.00 177.00 174.86 2yr0 n PRO 20 N -1.22 -0.19 -0.26 5.54 -0.02 -1.26 -0.76 135.00 136.83 2yr0 n PRO 20 Ca 0.12 1.50 -0.01 0.00 -2.02 0.00 0.00 63.50 63.09 2yr0 n PRO 20 Cb 0.46 -2.24 0.19 0.00 -0.02 0.00 0.00 33.50 31.89 2yr0 n PRO 20 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2yr0 h GLU 21 N 0.00 1.09 -0.24 -0.52 4.81 -1.99 -1.18 114.58 116.55 2yr0 h GLU 21 Ca 0.37 -0.09 -0.12 0.00 -0.13 0.00 0.00 59.36 59.40 2yr0 h GLU 21 Cb 0.61 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 29.76 2yr0 h GLU 21 CO -0.98 0.75 -0.31 0.28 -0.73 0.00 0.00 179.01 178.03 2yr0 h VAL 22 N 1.11 1.32 -0.63 0.32 2.07 -1.29 -1.03 116.25 118.12 2yr0 h VAL 22 Ca 0.29 -1.50 -0.01 0.00 0.82 0.00 0.00 66.70 66.31 2yr0 h VAL 22 Cb -0.07 1.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 2yr0 h VAL 22 CO -0.06 0.47 0.35 0.00 0.02 0.00 0.00 177.57 178.36 2yr0 h ALA 23 N 0.66 1.44 -0.21 1.67 0.00 -0.86 -0.84 119.26 121.11 2yr0 h ALA 23 Ca 0.03 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 2yr0 h ALA 23 Cb 0.88 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2yr0 h ALA 23 CO 0.07 0.47 -0.13 0.78 0.00 0.00 0.00 179.25 180.44 2yr0 h GLY 24 N 0.92 0.51 1.01 0.00 0.00 -1.10 -2.18 103.07 102.24 2yr0 h GLY 24 Ca 0.22 -0.47 0.01 0.00 0.00 0.00 0.00 47.33 47.09 2yr0 h GLY 24 CO -0.04 0.43 0.61 1.46 0.00 0.00 0.00 176.54 179.00 2yr0 h GLN 25 N 0.16 1.24 -0.29 4.80 4.20 -0.54 -0.45 115.11 124.23 2yr0 h GLN 25 Ca 0.04 -0.08 -0.07 0.00 0.06 0.00 0.00 58.65 58.60 2yr0 h GLN 25 Cb 0.64 -0.28 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 2yr0 h GLN 25 CO 0.04 0.83 -0.09 0.82 -0.67 0.00 0.00 178.83 179.76 2yr0 h ILE 26 N 1.28 1.28 -0.25 2.54 2.04 -1.15 -1.47 117.51 121.78 2yr0 h ILE 26 Ca 0.34 -1.14 0.01 0.00 1.00 0.00 0.00 64.86 65.07 2yr0 h ILE 26 Cb -0.13 1.42 -0.02 0.00 -0.74 0.00 0.00 36.82 37.36 2yr0 h ILE 26 CO -0.07 0.36 0.14 0.00 0.00 0.00 0.00 178.15 178.58 2yr0 h ALA 27 N 0.78 0.31 -0.69 1.87 0.00 -1.12 -2.63 119.26 117.77 2yr0 h ALA 27 Ca 0.07 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.03 2yr0 h ALA 27 Cb 0.58 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 2yr0 h ALA 27 CO 0.03 -0.25 0.39 1.15 0.00 0.00 0.00 179.25 180.58 2yr0 h THR 28 N 0.30 0.99 0.00 0.00 2.02 -0.95 -0.26 112.91 115.01 2yr0 h THR 28 Ca 0.10 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 67.03 2yr0 h THR 28 Cb -0.00 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 66.60 2yr0 h THR 28 CO -0.05 0.13 0.00 0.00 0.37 0.00 0.00 175.52 175.98 2yr0 n ALA 29 N -2.35 1.67 0.00 6.16 0.00 -0.57 -1.45 120.51 123.98 2yr0 n ALA 29 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 2yr0 n ALA 29 Cb 0.16 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.61 2yr0 n ALA 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2yr0 n ALA 31 N 0.72 0.00 0.22 0.00 0.00 -0.11 -2.00 120.51 119.34 2yr0 n ALA 31 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 2yr0 n ALA 31 Cb 0.12 0.00 0.46 0.00 0.00 0.00 0.00 19.45 20.02 2yr0 n ALA 31 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2yr0 h SER 32 N 0.00 0.00 0.95 0.00 0.02 -1.49 -3.01 113.55 110.01 2yr0 h SER 32 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2yr0 h SER 32 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2yr0 h SER 32 CO 0.00 0.25 -0.09 0.00 -1.14 0.00 0.00 176.83 175.85 2yr0 n ALA 33 N -2.25 2.53 -2.71 3.77 0.00 -0.85 -4.78 120.51 116.22 2yr0 n ALA 33 Ca -0.00 -0.14 -0.36 0.00 0.00 0.00 0.00 53.44 52.94 2yr0 n ALA 33 Cb 0.43 -1.41 -0.09 0.00 0.00 0.00 0.00 19.45 18.38 2yr0 n ALA 33 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2yr0 s VAL 34 N -3.01 5.32 -0.49 0.00 -7.23 -1.14 -4.74 120.40 109.12 2yr0 s VAL 34 Ca 0.13 0.16 0.04 0.00 -1.81 0.00 0.00 61.98 60.50 2yr0 s VAL 34 Cb 0.18 -3.46 0.13 0.00 0.56 0.00 0.00 36.38 33.79 2yr0 s VAL 34 CO 0.56 0.39 0.23 -1.00 -0.31 0.00 0.00 175.10 174.98 2yr0 s HIS 35 N 0.73 3.11 -2.00 2.82 3.76 -1.26 -4.98 115.29 117.47 2yr0 s HIS 35 Ca 0.07 -3.07 0.14 0.00 -0.15 0.00 0.00 55.06 52.05 2yr0 s HIS 35 Cb -0.12 -2.73 0.83 0.00 1.11 0.00 0.00 32.58 31.67 2yr0 s HIS 35 CO 0.01 -0.77 1.34 -0.35 -0.85 0.00 0.00 174.74 174.12 2yr0 n PRO 36 N 3.29 0.71 -3.83 8.40 -0.04 -1.26 -4.76 135.00 137.51 2yr0 n PRO 36 Ca 0.05 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.18 2yr0 n PRO 36 Cb 0.33 -1.31 0.02 0.00 -0.04 0.00 0.00 33.50 32.51 2yr0 n PRO 36 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2yr0 n LYS 37 N -0.81 -1.52 0.00 0.54 5.02 -1.26 -1.68 118.16 118.45 2yr0 n LYS 37 Ca 0.10 0.37 0.00 0.00 -2.02 0.00 0.00 58.31 56.76 2yr0 n LYS 37 Cb 0.05 -3.91 0.00 0.00 -0.02 0.00 0.00 35.03 31.15 2yr0 n LYS 37 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2yr0 n GLY 38 N -1.85 2.87 3.93 0.72 0.00 -1.26 -5.02 105.19 104.58 2yr0 n GLY 38 Ca -0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.61 2yr0 n GLY 38 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2yr0 s GLU 39 N -0.24 3.52 0.02 1.61 2.02 -0.68 -5.04 118.70 119.91 2yr0 s GLU 39 Ca 0.00 -0.16 -0.30 0.00 0.02 0.00 0.00 54.97 54.53 2yr0 s GLU 39 Cb 0.00 -2.59 -0.05 0.00 0.10 0.00 0.00 34.13 31.59 2yr0 s GLU 39 CO 0.00 0.08 1.27 -2.00 0.02 0.00 0.00 175.26 174.63 2yr0 s GLU 40 N -4.30 4.36 0.44 1.61 2.12 -1.26 -4.65 118.70 117.02 2yr0 s GLU 40 Ca 0.42 1.83 -0.24 0.00 0.36 0.00 0.00 54.97 57.34 2yr0 s GLU 40 Cb -0.10 -3.46 -0.08 0.00 0.26 0.00 0.00 34.13 30.76 2yr0 s GLU 40 CO 0.37 -0.42 1.20 -1.25 -0.54 0.00 0.00 175.26 174.63 2yr0 s PRO 41 N 1.76 3.82 -0.04 4.30 0.04 -1.26 -5.03 135.00 138.58 2yr0 s PRO 41 Ca 0.60 1.89 0.01 0.00 0.04 0.00 0.00 61.00 63.54 2yr0 s PRO 41 Cb -0.29 -2.52 0.02 0.00 0.04 0.00 0.00 34.50 31.74 2yr0 s PRO 41 CO 0.26 -0.53 -0.06 0.54 0.04 0.00 0.00 177.00 177.26 2yr0 s VAL 42 N -1.44 0.60 0.07 -0.36 0.11 -1.26 -3.69 120.40 114.43 2yr0 s VAL 42 Ca 0.61 -0.17 0.02 0.00 -2.93 0.00 0.00 61.98 59.51 2yr0 s VAL 42 Cb -0.32 -0.61 -0.04 0.00 -1.53 0.00 0.00 36.38 33.88 2yr0 s VAL 42 CO 0.39 0.24 0.12 -0.36 -3.33 0.00 0.00 175.10 172.16 2yr0 s PHE 43 N 0.81 3.30 -0.09 1.54 0.08 -0.79 -1.74 117.98 121.09 2yr0 s PHE 43 Ca -0.12 0.14 0.03 0.00 0.12 0.00 0.00 56.93 57.10 2yr0 s PHE 43 Cb -0.14 -1.67 0.01 0.00 -0.57 0.00 0.00 43.02 40.65 2yr0 s PHE 43 CO 0.01 0.55 -0.17 -1.17 -0.10 0.00 0.00 175.22 174.33 2yr0 s LEU 44 N -2.41 1.84 -0.16 -0.37 2.96 0.08 -0.69 118.68 119.94 2yr0 s LEU 44 Ca 0.31 -0.44 -0.01 0.00 -0.22 0.00 0.00 54.13 53.77 2yr0 s LEU 44 Cb -0.12 -1.13 -0.01 0.00 0.50 0.00 0.00 46.19 45.42 2yr0 s LEU 44 CO 0.24 0.07 -0.10 -0.70 -1.32 0.00 0.00 176.35 174.54 2yr0 s GLU 45 N 0.66 3.39 -0.32 1.98 2.12 -0.01 0.24 118.70 126.76 2yr0 s GLU 45 Ca -0.13 -0.66 -0.18 0.00 0.36 0.00 0.00 54.97 54.35 2yr0 s GLU 45 Cb -0.16 -2.76 -0.01 0.00 0.26 0.00 0.00 34.13 31.46 2yr0 s GLU 45 CO 0.04 0.07 0.54 -0.51 -0.54 0.00 0.00 175.26 174.86 2yr0 s LEU 46 N 0.73 4.23 -0.01 2.70 1.43 -0.34 -1.30 118.68 126.12 2yr0 s LEU 46 Ca -0.05 0.18 -0.00 0.00 -1.03 0.00 0.00 54.13 53.24 2yr0 s LEU 46 Cb -0.15 -2.65 -0.00 0.00 0.03 0.00 0.00 46.19 43.42 2yr0 s LEU 46 CO 0.02 -0.44 0.01 0.61 0.23 0.00 0.00 176.35 176.77 2yr0 n GLY 47 N 4.64 0.55 0.29 -3.19 0.00 0.24 -4.45 105.19 103.28 2yr0 n GLY 47 Ca -0.04 -0.43 0.14 0.00 0.00 0.00 0.00 46.02 45.69 2yr0 n GLY 47 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2yr0 h VAL 48 N -0.01 0.62 0.00 1.61 3.04 -1.35 -3.46 116.25 116.70 2yr0 h VAL 48 Ca -0.00 -0.02 0.00 0.00 -1.01 0.00 0.00 66.70 65.67 2yr0 h VAL 48 Cb 1.00 1.01 0.00 0.00 -2.01 0.00 0.00 31.29 31.29 2yr0 h VAL 48 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.57 177.18 2yr0 n GLY 49 N -1.34 3.78 0.60 3.17 0.00 -1.26 -1.20 105.19 108.94 2yr0 n GLY 49 Ca -0.03 -0.04 0.13 0.00 0.00 0.00 0.00 46.02 46.08 2yr0 n GLY 49 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2yr0 n THR 50 N 0.00 0.03 -0.47 2.61 -2.24 -1.26 -4.40 114.28 108.55 2yr0 n THR 50 Ca 0.00 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 2yr0 n THR 50 Cb 0.00 0.69 0.00 0.00 -2.10 0.00 0.00 70.33 68.92 2yr0 n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2yr0 n GLY 51 N 1.21 0.77 0.30 3.38 0.00 -0.34 -4.41 105.19 106.10 2yr0 n GLY 51 Ca 0.18 -0.48 0.02 0.00 0.00 0.00 0.00 46.02 45.74 2yr0 n GLY 51 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2yr0 h ARG 52 N 0.00 0.73 0.24 1.61 2.43 -1.93 -0.51 114.38 116.95 2yr0 h ARG 52 Ca 0.00 -0.04 -0.33 0.00 -0.81 0.00 0.00 59.98 58.79 2yr0 h ARG 52 Cb 0.03 -0.16 0.03 0.00 -0.42 0.00 0.00 29.97 29.45 2yr0 h ARG 52 CO 0.00 0.48 -1.48 0.82 -1.51 0.00 0.00 179.97 178.28 2yr0 h ILE 53 N 0.75 1.28 -0.06 1.20 1.08 -1.94 -3.39 117.51 116.44 2yr0 h ILE 53 Ca 0.39 -2.73 -0.00 0.00 -0.39 0.00 0.00 64.86 62.12 2yr0 h ILE 53 Cb 0.36 3.02 -0.00 0.00 -3.07 0.00 0.00 36.82 37.12 2yr0 h ILE 53 CO -0.25 0.82 0.02 0.00 -0.69 0.00 0.00 178.15 178.05 2yr0 h ALA 54 N 0.20 0.08 -0.65 1.87 0.00 -1.77 -3.35 119.26 115.63 2yr0 h ALA 54 Ca -0.25 -0.11 0.11 0.00 0.00 0.00 0.00 54.91 54.66 2yr0 h ALA 54 Cb 2.15 -0.02 -0.12 0.00 0.00 0.00 0.00 17.79 19.80 2yr0 h ALA 54 CO 0.26 -0.32 -0.36 -0.07 0.00 0.00 0.00 179.25 178.76 2yr0 h LEU 55 N -0.10 -1.27 -1.85 0.00 -0.00 -1.29 0.16 115.31 110.97 2yr0 h LEU 55 Ca 0.02 0.24 0.12 0.00 -0.00 0.00 0.00 57.88 58.27 2yr0 h LEU 55 Cb 0.21 0.62 -0.03 0.00 -0.00 0.00 0.00 40.66 41.46 2yr0 h LEU 55 CO -0.00 -0.31 0.37 -0.65 -0.00 0.00 0.00 178.44 177.85 2yr0 h PRO 56 N -0.15 0.16 0.22 1.13 0.11 -1.80 0.64 132.00 132.31 2yr0 h PRO 56 Ca 0.24 -0.01 -0.31 0.00 0.11 0.00 0.00 66.00 66.03 2yr0 h PRO 56 Cb 0.56 -0.04 0.03 0.00 0.11 0.00 0.00 31.00 31.66 2yr0 h PRO 56 CO -0.73 0.11 -1.44 -0.07 -0.21 0.00 0.00 178.00 175.65 2yr0 h LEU 57 N 0.17 0.71 -0.56 2.35 3.38 -1.35 -3.17 115.31 116.84 2yr0 h LEU 57 Ca 0.25 -0.93 -0.03 0.00 0.09 0.00 0.00 57.88 57.27 2yr0 h LEU 57 Cb 0.77 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 2yr0 h LEU 57 CO -0.04 1.68 0.24 0.40 0.09 0.00 0.00 178.44 180.81 2yr0 h ILE 58 N 0.03 1.22 -0.07 1.22 2.04 -0.27 -2.01 117.51 119.66 2yr0 h ILE 58 Ca -0.26 -0.66 0.02 0.00 1.00 0.00 0.00 64.86 64.96 2yr0 h ILE 58 Cb 2.05 0.61 -0.00 0.00 -0.74 0.00 0.00 36.82 38.74 2yr0 h ILE 58 CO 0.22 0.26 0.07 0.00 0.00 0.00 0.00 178.15 178.70 2yr0 h ALA 59 N 1.08 1.79 -0.35 1.87 0.00 0.17 -1.29 119.26 122.52 2yr0 h ALA 59 Ca 0.19 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2yr0 h ALA 59 Cb 0.18 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2yr0 h ALA 59 CO -0.02 -0.10 0.00 0.54 0.00 0.00 0.00 179.25 179.67 2yr0 n ARG 60 N -4.08 1.90 -0.56 0.00 1.74 -0.77 -4.92 116.66 109.97 2yr0 n ARG 60 Ca -0.01 -1.31 0.00 0.00 -0.77 0.00 0.00 57.85 55.76 2yr0 n ARG 60 Cb 0.17 -1.32 0.00 0.00 -1.02 0.00 0.00 32.46 30.29 2yr0 n ARG 60 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2yr0 n GLY 61 N 1.02 0.74 3.75 -0.13 0.00 -0.49 -5.06 105.19 105.02 2yr0 n GLY 61 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 2yr0 n GLY 61 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2yr0 s TYR 62 N -2.43 3.69 0.16 1.61 2.02 -1.13 -4.99 117.35 116.28 2yr0 s TYR 62 Ca 0.00 1.72 -0.31 0.00 -0.37 0.00 0.00 57.07 58.10 2yr0 s TYR 62 Cb 0.00 -3.19 -0.10 0.00 -0.40 0.00 0.00 41.96 38.27 2yr0 s TYR 62 CO 0.00 -0.29 1.51 1.03 -1.57 0.00 0.00 175.55 176.23 2yr0 s ARG 63 N -0.82 4.25 -0.00 -0.62 0.52 -1.24 -4.63 118.95 116.41 2yr0 s ARG 63 Ca 0.46 2.28 0.01 0.00 -0.52 0.00 0.00 55.73 57.97 2yr0 s ARG 63 Cb -0.29 -3.17 -0.00 0.00 0.52 0.00 0.00 34.95 32.00 2yr0 s ARG 63 CO 0.36 -0.55 -0.05 -0.47 0.02 0.00 0.00 175.30 174.61 2yr0 s TYR 64 N 1.02 0.41 -0.24 -0.53 5.04 -0.60 -1.89 117.35 120.55 2yr0 s TYR 64 Ca 0.68 -0.08 0.02 0.00 -2.44 0.00 0.00 57.07 55.25 2yr0 s TYR 64 Cb -0.42 -0.26 0.05 0.00 0.35 0.00 0.00 41.96 41.68 2yr0 s TYR 64 CO 0.32 -0.01 -0.11 0.42 -1.34 0.00 0.00 175.55 174.83 2yr0 s ILE 65 N -0.12 2.02 -0.35 3.14 1.01 0.14 -0.50 121.20 126.55 2yr0 s ILE 65 Ca 0.02 -1.44 -0.13 0.00 0.00 0.00 0.00 60.65 59.11 2yr0 s ILE 65 Cb -0.02 -2.11 -0.01 0.00 0.01 0.00 0.00 42.46 40.33 2yr0 s ILE 65 CO -0.00 0.05 0.23 0.00 0.00 0.00 0.00 174.94 175.22 2yr0 s ALA 66 N 1.19 3.46 -0.09 9.38 0.00 0.58 -0.83 121.76 135.46 2yr0 s ALA 66 Ca -0.06 -1.44 0.01 0.00 0.00 0.00 0.00 51.96 50.47 2yr0 s ALA 66 Cb -0.19 -2.65 -0.02 0.00 0.00 0.00 0.00 23.12 20.26 2yr0 s ALA 66 CO -0.06 -1.03 -0.11 -1.17 0.00 0.00 0.00 175.76 173.38 2yr0 s LEU 67 N 1.70 2.89 -0.22 0.00 0.20 -0.42 -0.19 118.68 122.62 2yr0 s LEU 67 Ca 0.06 -0.19 -0.24 0.00 0.69 0.00 0.00 54.13 54.44 2yr0 s LEU 67 Cb -0.18 -1.63 0.07 0.00 -0.43 0.00 0.00 46.19 44.02 2yr0 s LEU 67 CO 0.10 0.28 0.67 -0.62 -0.29 0.00 0.00 176.35 176.49 2yr0 s ASP 68 N -0.31 -0.69 0.13 3.68 -1.08 -0.65 -0.59 116.67 117.16 2yr0 s ASP 68 Ca 0.03 1.26 0.26 0.00 -0.52 0.00 0.00 52.55 53.58 2yr0 s ASP 68 Cb -0.13 1.25 0.69 0.00 -1.46 0.00 0.00 42.92 43.28 2yr0 s ASP 68 CO 0.03 -0.29 1.62 0.00 0.52 0.00 0.00 175.17 177.04 2yr0 n ALA 69 N 2.44 2.61 -2.53 3.66 0.00 -1.10 -2.61 120.51 122.98 2yr0 n ALA 69 Ca -0.15 -0.14 -0.43 0.00 0.00 0.00 0.00 53.44 52.72 2yr0 n ALA 69 Cb 0.56 -1.34 -0.06 0.00 0.00 0.00 0.00 19.45 18.60 2yr0 n ALA 69 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2yr0 s ASP 70 N -4.07 6.34 0.38 0.00 -1.08 -1.26 -4.81 116.67 112.16 2yr0 s ASP 70 Ca 0.10 -0.31 0.05 0.00 -0.52 0.00 0.00 52.55 51.87 2yr0 s ASP 70 Cb 0.14 -2.33 0.75 0.00 -1.46 0.00 0.00 42.92 40.02 2yr0 s ASP 70 CO 0.64 -0.82 2.01 0.00 0.52 0.00 0.00 175.17 177.52 2yr0 h ALA 71 N 8.91 1.60 0.00 3.66 0.00 -2.01 -2.91 119.26 128.51 2yr0 h ALA 71 Ca -0.25 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2yr0 h ALA 71 Cb 1.09 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2yr0 h ALA 71 CO 0.91 0.34 0.00 0.00 0.00 0.00 0.00 179.25 180.50 2yr0 n ALA 72 N -2.47 1.82 0.00 0.00 0.00 -1.26 -2.01 120.51 116.60 2yr0 n ALA 72 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2yr0 n ALA 72 Cb 0.09 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.54 2yr0 n ALA 72 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2yr0 n LEU 74 N 0.83 0.00 -0.03 0.00 4.77 -1.10 -3.05 117.00 118.42 2yr0 n LEU 74 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 2yr0 n LEU 74 Cb 0.16 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.22 2yr0 n LEU 74 CO 0.00 0.00 0.83 -0.08 -1.33 0.00 0.00 177.39 176.81 2yr0 h GLU 75 N 0.00 -0.01 -0.47 3.23 4.81 -1.70 0.37 114.58 120.81 2yr0 h GLU 75 Ca 0.00 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.15 2yr0 h GLU 75 Cb 0.00 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 2yr0 h GLU 75 CO 0.00 -0.01 -0.04 0.28 -0.73 0.00 0.00 179.01 178.52 2yr0 h VAL 76 N -0.01 1.27 -0.46 0.32 2.07 -1.83 -2.97 116.25 114.64 2yr0 h VAL 76 Ca 0.09 -1.13 0.01 0.00 0.82 0.00 0.00 66.70 66.49 2yr0 h VAL 76 Cb 0.14 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 2yr0 h VAL 76 CO -0.19 0.39 0.28 0.15 0.02 0.00 0.00 177.57 178.23 2yr0 h PHE 77 N 0.71 0.53 -0.54 1.57 3.57 -1.62 -1.70 116.94 119.47 2yr0 h PHE 77 Ca 0.13 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.71 2yr0 h PHE 77 Cb 0.56 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.09 2yr0 h PHE 77 CO 0.04 0.32 0.36 0.00 -2.23 0.00 0.00 178.31 176.80 2yr0 h ARG 78 N 0.57 0.46 -0.15 1.11 3.08 -0.20 -1.94 114.38 117.32 2yr0 h ARG 78 Ca 0.18 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 60.15 2yr0 h ARG 78 Cb -0.02 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 29.92 2yr0 h ARG 78 CO -0.06 0.31 -0.11 1.96 -1.07 0.00 0.00 179.97 180.99 2yr0 h GLN 79 N 0.48 0.35 -0.91 0.04 1.08 -1.20 -3.13 115.11 111.81 2yr0 h GLN 79 Ca 0.24 -0.17 -0.00 0.00 -1.45 0.00 0.00 58.65 57.26 2yr0 h GLN 79 Cb 0.32 -0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.71 2yr0 h GLN 79 CO -0.06 0.70 0.55 0.87 -0.95 0.00 0.00 178.83 179.94 2yr0 h LYS 80 N -0.00 1.24 -0.53 1.46 1.79 -0.60 -2.57 116.57 117.35 2yr0 h LYS 80 Ca 0.03 -0.11 0.00 0.00 -2.18 0.00 0.00 60.65 58.39 2yr0 h LYS 80 Cb 0.62 -0.26 0.00 0.00 -1.58 0.00 0.00 32.23 31.01 2yr0 h LYS 80 CO 0.03 0.86 0.00 0.44 -1.08 0.00 0.00 179.45 179.70 2yr0 n ILE 81 N -4.36 0.87 -1.75 1.86 -5.35 -0.88 -4.92 119.36 104.83 2yr0 n ILE 81 Ca 0.10 -0.61 -0.42 0.00 -0.27 0.00 0.00 62.75 61.56 2yr0 n ILE 81 Cb 0.06 0.04 -0.02 0.00 -1.74 0.00 0.00 39.64 37.97 2yr0 n ILE 81 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2yr0 s ALA 82 N -1.64 3.87 0.00 -1.28 0.00 -0.97 -1.07 121.76 120.67 2yr0 s ALA 82 Ca 0.27 1.59 0.00 0.00 0.00 0.00 0.00 51.96 53.82 2yr0 s ALA 82 Cb 0.17 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 19.61 2yr0 s ALA 82 CO 0.15 -0.95 0.00 0.41 0.00 0.00 0.00 175.76 175.37 2yr0 n GLY 83 N 3.29 1.61 1.15 0.00 0.00 -1.26 -4.78 105.19 105.20 2yr0 n GLY 83 Ca 0.13 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.17 2yr0 n GLY 83 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2yr0 n VAL 84 N -2.00 0.00 -0.82 1.61 0.24 -0.23 -4.89 118.33 112.24 2yr0 n VAL 84 Ca 0.00 -0.61 0.08 0.00 -2.04 0.00 0.00 64.34 61.77 2yr0 n VAL 84 Cb 0.00 0.79 0.34 0.00 -1.47 0.00 0.00 33.84 33.49 2yr0 n VAL 84 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 2yr0 n ASP 85 N 0.30 4.79 -0.20 -1.34 5.68 -0.69 -4.60 116.55 120.50 2yr0 n ASP 85 Ca 0.02 -2.78 0.03 0.00 -0.50 0.00 0.00 54.79 51.55 2yr0 n ASP 85 Cb 0.97 -0.59 0.29 0.00 -1.14 0.00 0.00 41.12 40.65 2yr0 n ASP 85 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 2yr0 h ARG 86 N 3.25 0.89 -0.32 0.11 2.43 -1.90 -2.82 114.38 116.02 2yr0 h ARG 86 Ca 0.00 -0.05 -0.13 0.00 -0.81 0.00 0.00 59.98 58.99 2yr0 h ARG 86 Cb 1.62 -0.20 -0.08 0.00 -0.42 0.00 0.00 29.97 30.89 2yr0 h ARG 86 CO 0.32 0.59 -0.05 1.63 -1.51 0.00 0.00 179.97 180.95 2yr0 n LYS 87 N -4.45 2.10 -4.72 0.20 5.02 -1.26 -4.99 118.16 110.07 2yr0 n LYS 87 Ca 0.09 -3.07 -0.33 0.00 -2.02 0.00 0.00 58.31 52.98 2yr0 n LYS 87 Cb 0.10 -1.82 -0.14 0.00 -0.02 0.00 0.00 35.03 33.16 2yr0 n LYS 87 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2yr0 s VAL 88 N -3.13 3.25 -0.19 -0.18 1.01 -1.07 -1.56 120.40 118.53 2yr0 s VAL 88 Ca 0.44 -0.60 -0.02 0.00 0.00 0.00 0.00 61.98 61.79 2yr0 s VAL 88 Cb 0.39 -2.36 -0.01 0.00 0.00 0.00 0.00 36.38 34.40 2yr0 s VAL 88 CO 0.02 0.53 -0.08 -1.58 0.00 0.00 0.00 175.10 173.99 2yr0 s GLN 89 N 0.14 3.34 -0.16 2.72 2.00 0.35 -5.00 119.66 123.06 2yr0 s GLN 89 Ca -0.06 -0.66 -0.16 0.00 -2.00 0.00 0.00 55.36 52.49 2yr0 s GLN 89 Cb -0.15 -2.86 -0.04 0.00 0.80 0.00 0.00 33.01 30.76 2yr0 s GLN 89 CO 0.04 -0.09 0.39 0.08 -0.50 0.00 0.00 175.29 175.21 2yr0 s VAL 90 N 1.15 5.23 -0.12 1.34 1.01 -1.26 -0.31 120.40 127.45 2yr0 s VAL 90 Ca 0.01 0.73 0.01 0.00 0.00 0.00 0.00 61.98 62.73 2yr0 s VAL 90 Cb -0.14 -3.72 0.02 0.00 0.00 0.00 0.00 36.38 32.53 2yr0 s VAL 90 CO -0.02 0.32 -0.12 -0.69 0.00 0.00 0.00 175.10 174.59 2yr0 s VAL 91 N 0.78 1.31 -0.37 2.92 1.01 0.73 -4.94 120.40 121.83 2yr0 s VAL 91 Ca 0.20 -0.50 -0.15 0.00 0.00 0.00 0.00 61.98 61.54 2yr0 s VAL 91 Cb -0.14 -1.25 0.00 0.00 0.00 0.00 0.00 36.38 34.99 2yr0 s VAL 91 CO 0.07 0.41 0.34 -1.58 0.00 0.00 0.00 175.10 174.34 2yr0 s GLN 92 N 1.34 3.31 0.14 2.72 0.74 -1.26 -1.64 119.66 125.01 2yr0 s GLN 92 Ca -0.00 -0.68 -0.25 0.00 0.05 0.00 0.00 55.36 54.47 2yr0 s GLN 92 Cb -0.14 -3.88 0.07 0.00 1.10 0.00 0.00 33.01 30.16 2yr0 s GLN 92 CO -0.06 -0.63 0.98 0.00 -0.55 0.00 0.00 175.29 175.03 2yr0 s ALA 93 N 1.90 -1.69 0.01 1.58 0.00 -1.07 -4.95 121.76 117.52 2yr0 s ALA 93 Ca 0.09 0.16 -0.17 0.00 0.00 0.00 0.00 51.96 52.03 2yr0 s ALA 93 Cb -0.17 0.62 -0.06 0.00 0.00 0.00 0.00 23.12 23.51 2yr0 s ALA 93 CO 0.11 -1.05 0.49 -0.51 0.00 0.00 0.00 175.76 174.81 2yr0 s ASP 94 N -2.95 6.90 0.64 0.00 1.01 -1.26 -2.72 116.67 118.28 2yr0 s ASP 94 Ca 0.12 1.07 0.32 0.00 0.71 0.00 0.00 52.55 54.78 2yr0 s ASP 94 Cb -0.01 -2.30 1.79 0.00 1.01 0.00 0.00 42.92 43.40 2yr0 s ASP 94 CO 0.02 0.24 2.06 0.00 0.21 0.00 0.00 175.17 177.71 2yr0 h ALA 95 N 5.01 1.49 0.00 5.23 0.00 -1.97 -0.60 119.26 128.41 2yr0 h ALA 95 Ca -0.49 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 2yr0 h ALA 95 Cb 1.21 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 2yr0 h ALA 95 CO 0.65 -0.29 -0.10 0.00 0.00 0.00 0.00 179.25 179.50 2yr0 h ARG 96 N 0.00 0.00 -2.30 0.00 3.08 -1.92 -3.36 114.38 109.89 2yr0 h ARG 96 Ca 0.05 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.55 2yr0 h ARG 96 Cb 0.53 0.00 -0.36 0.00 0.08 0.00 0.00 29.97 30.22 2yr0 h ARG 96 CO -0.00 0.10 -0.90 0.00 -1.07 0.00 0.00 179.97 178.10 2yr0 s ALA 97 N -4.61 0.92 -0.07 0.04 0.00 -0.23 -4.78 121.76 113.04 2yr0 s ALA 97 Ca -0.04 -2.07 -0.30 0.00 0.00 0.00 0.00 51.96 49.55 2yr0 s ALA 97 Cb 0.15 -1.70 -0.05 0.00 0.00 0.00 0.00 23.12 21.53 2yr0 s ALA 97 CO 0.64 -2.04 1.56 0.42 0.00 0.00 0.00 175.76 176.34 2yr0 s ILE 98 N 0.46 3.70 -1.52 0.00 1.01 -1.25 -4.53 121.20 119.07 2yr0 s ILE 98 Ca 0.28 0.89 -0.10 0.00 0.00 0.00 0.00 60.65 61.72 2yr0 s ILE 98 Cb -0.04 -3.57 -0.01 0.00 0.01 0.00 0.00 42.46 38.84 2yr0 s ILE 98 CO -0.13 -0.07 2.66 -0.81 0.00 0.00 0.00 174.94 176.59 2yr0 n PRO 99 N 6.83 3.70 -4.04 2.79 -0.04 -1.26 -4.83 135.00 138.14 2yr0 n PRO 99 Ca 0.16 -2.58 -0.08 0.00 -0.04 0.00 0.00 63.50 60.96 2yr0 n PRO 99 Cb 0.43 -2.87 -0.10 0.00 -0.04 0.00 0.00 33.50 30.92 2yr0 n PRO 99 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2yr0 s LEU 100 N 0.13 2.38 0.79 1.53 1.43 -1.26 -5.16 118.68 118.52 2yr0 s LEU 100 Ca 0.61 -0.78 -0.11 0.00 -1.03 0.00 0.00 54.13 52.81 2yr0 s LEU 100 Cb 0.17 0.15 0.07 0.00 0.03 0.00 0.00 46.19 46.60 2yr0 s LEU 100 CO -0.07 -0.47 1.09 -2.84 0.23 0.00 0.00 176.35 174.29 2yr0 s PRO 101 N -2.85 2.12 0.37 1.29 0.02 -1.26 -4.95 135.00 129.73 2yr0 s PRO 101 Ca -0.03 0.82 -0.27 0.00 0.02 0.00 0.00 61.00 61.53 2yr0 s PRO 101 Cb 0.00 -1.91 -0.10 0.00 0.02 0.00 0.00 34.50 32.52 2yr0 s PRO 101 CO -0.06 -1.64 1.34 -0.51 -0.33 0.00 0.00 177.00 175.80 2yr0 s ASP 102 N -3.71 6.47 -1.06 2.53 1.01 -1.26 -3.55 116.67 117.10 2yr0 s ASP 102 Ca 0.61 2.75 -0.16 0.00 0.71 0.00 0.00 52.55 56.46 2yr0 s ASP 102 Cb -0.15 -2.65 -0.01 0.00 1.01 0.00 0.00 42.92 41.12 2yr0 s ASP 102 CO 0.55 -0.75 0.77 -0.62 0.21 0.00 0.00 175.17 175.33 2yr0 n GLU 103 N 0.43 -1.28 0.00 8.23 1.02 0.15 -4.92 120.64 124.27 2yr0 n GLU 103 Ca 0.02 0.61 0.00 0.00 -0.02 0.00 0.00 57.16 57.77 2yr0 n GLU 103 Cb 0.42 -4.14 0.00 0.00 -0.02 0.00 0.00 31.44 27.70 2yr0 n GLU 103 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2yr0 n SER 104 N -2.58 1.36 -4.29 1.62 3.41 0.51 -4.64 113.62 109.00 2yr0 n SER 104 Ca -0.10 -0.36 -0.18 0.00 -0.26 0.00 0.00 58.87 57.97 2yr0 n SER 104 Cb 0.59 1.00 -0.10 0.00 -0.26 0.00 0.00 64.21 65.43 2yr0 n SER 104 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2yr0 s VAL 105 N -1.27 1.50 -0.12 -3.33 -7.23 -0.44 -4.95 120.40 104.56 2yr0 s VAL 105 Ca 0.00 -2.02 0.20 0.00 -1.81 0.00 0.00 61.98 58.35 2yr0 s VAL 105 Cb 0.00 -1.84 -0.21 0.00 0.56 0.00 0.00 36.38 34.88 2yr0 s VAL 105 CO 0.00 -0.56 0.58 1.41 -0.31 0.00 0.00 175.10 176.22 2yr0 n HIS 106 N -0.04 0.41 -3.75 2.82 -0.00 -0.71 -0.59 115.22 113.36 2yr0 n HIS 106 Ca -0.11 0.13 -0.12 0.00 -0.00 0.00 0.00 57.72 57.61 2yr0 n HIS 106 Cb 0.59 -0.82 -0.11 0.00 -0.00 0.00 0.00 29.99 29.65 2yr0 n HIS 106 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 2yr0 s GLY 107 N -4.74 -0.22 -0.20 -1.41 0.00 -1.14 -1.00 107.32 98.62 2yr0 s GLY 107 Ca -0.06 0.95 0.00 0.00 0.00 0.00 0.00 44.72 45.62 2yr0 s GLY 107 CO 0.85 0.94 -0.16 0.14 0.00 0.00 0.00 173.10 174.87 2yr0 s VAL 108 N 0.53 2.29 -0.17 1.40 1.01 -0.99 -0.74 120.40 123.73 2yr0 s VAL 108 Ca -0.03 -0.97 -0.12 0.00 0.00 0.00 0.00 61.98 60.86 2yr0 s VAL 108 Cb -0.05 -2.03 -0.05 0.00 0.00 0.00 0.00 36.38 34.26 2yr0 s VAL 108 CO -0.03 0.44 0.23 -0.63 0.00 0.00 0.00 175.10 175.11 2yr0 s ILE 109 N 1.30 5.35 -0.27 2.22 1.01 0.14 -0.32 121.20 130.62 2yr0 s ILE 109 Ca 0.03 0.40 -0.02 0.00 0.00 0.00 0.00 60.65 61.07 2yr0 s ILE 109 Cb -0.14 -3.56 0.09 0.00 0.01 0.00 0.00 42.46 38.85 2yr0 s ILE 109 CO -0.10 0.42 0.08 -0.69 0.00 0.00 0.00 174.94 174.65 2yr0 s VAL 110 N 0.32 0.67 -0.21 2.92 1.01 -0.12 -1.20 120.40 123.79 2yr0 s VAL 110 Ca 0.13 -1.05 0.01 0.00 0.00 0.00 0.00 61.98 61.08 2yr0 s VAL 110 Cb -0.12 -1.39 0.04 0.00 0.00 0.00 0.00 36.38 34.91 2yr0 s VAL 110 CO 0.02 -0.52 -0.13 -0.69 0.00 0.00 0.00 175.10 173.77 2yr0 s VAL 111 N 1.75 1.90 -1.03 2.92 1.01 -1.26 -2.34 120.40 123.34 2yr0 s VAL 111 Ca 0.06 -1.14 -0.11 0.00 0.00 0.00 0.00 61.98 60.78 2yr0 s VAL 111 Cb -0.17 -1.90 -0.03 0.00 0.00 0.00 0.00 36.38 34.28 2yr0 s VAL 111 CO -0.21 0.23 0.82 1.41 0.00 0.00 0.00 175.10 177.35 2yr0 n HIS 112 N 4.60 -2.28 0.00 5.22 8.25 -1.25 -4.96 115.22 124.80 2yr0 n HIS 112 Ca -0.16 0.72 0.00 0.00 -0.26 0.00 0.00 57.72 58.02 2yr0 n HIS 112 Cb 0.46 -3.75 0.00 0.00 1.12 0.00 0.00 29.99 27.82 2yr0 n HIS 112 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 2yr0 n LEU 113 N -3.39 0.67 -0.28 2.41 7.94 -1.26 -4.84 117.00 118.24 2yr0 n LEU 113 Ca -0.08 0.00 0.03 0.00 -1.11 0.00 0.00 56.01 54.85 2yr0 n LEU 113 Cb 0.59 0.00 0.09 0.00 0.53 0.00 0.00 43.42 44.63 2yr0 n LEU 113 CO 0.62 0.02 0.49 0.79 -1.11 0.00 0.00 177.39 178.20 2yr0 n TRP 114 N -2.68 0.21 0.45 1.96 5.03 -1.26 0.78 117.44 121.93 2yr0 n TRP 114 Ca 0.00 0.94 0.12 0.00 3.03 0.00 0.00 57.50 61.59 2yr0 n TRP 114 Cb 0.37 -0.90 0.47 0.00 -1.03 0.00 0.00 31.31 30.22 2yr0 n TRP 114 CO 0.00 0.00 0.00 -2.39 -0.03 0.00 0.00 177.69 175.27 2yr0 n HIS 115 N -5.22 0.82 0.58 -5.99 1.44 -1.26 -2.92 115.22 102.67 2yr0 n HIS 115 Ca 0.11 0.30 0.12 0.00 -2.01 0.00 0.00 57.72 56.24 2yr0 n HIS 115 Cb 0.36 -0.99 0.10 0.00 0.12 0.00 0.00 29.99 29.58 2yr0 n HIS 115 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2yr0 n LEU 116 N -2.23 0.65 -4.89 2.39 4.77 0.23 -4.92 117.00 112.99 2yr0 n LEU 116 Ca 0.03 0.10 -0.32 0.00 -0.03 0.00 0.00 56.01 55.78 2yr0 n LEU 116 Cb 0.27 -0.14 -0.05 0.00 -2.33 0.00 0.00 43.42 41.17 2yr0 n LEU 116 CO 0.22 0.00 0.02 -0.69 -1.33 0.00 0.00 177.39 175.61 2yr0 s VAL 117 N -3.18 5.17 0.04 4.08 1.01 -1.08 -5.02 120.40 121.42 2yr0 s VAL 117 Ca 0.05 0.13 -0.17 0.00 0.00 0.00 0.00 61.98 61.98 2yr0 s VAL 117 Cb 0.14 -3.62 -0.23 0.00 0.00 0.00 0.00 36.38 32.67 2yr0 s VAL 117 CO 0.76 0.13 1.15 1.55 0.00 0.00 0.00 175.10 178.70 2yr0 h PRO 118 N 3.16 0.54 -3.03 2.72 0.13 -1.91 -3.41 132.00 130.20 2yr0 h PRO 118 Ca -0.47 -0.56 -0.61 0.00 -0.87 0.00 0.00 66.00 63.48 2yr0 h PRO 118 Cb 1.17 0.15 -0.40 0.00 0.13 0.00 0.00 31.00 32.06 2yr0 h PRO 118 CO 0.71 1.19 -0.72 0.16 -0.23 0.00 0.00 178.00 179.10 2yr0 s ASP 119 N -6.95 3.73 0.29 1.44 -4.77 -1.26 -4.96 116.67 104.19 2yr0 s ASP 119 Ca -0.12 -2.76 0.03 0.00 -3.30 0.00 0.00 52.55 46.39 2yr0 s ASP 119 Cb 0.05 -1.13 0.44 0.00 -1.09 0.00 0.00 42.92 41.19 2yr0 s ASP 119 CO 0.86 -0.25 1.75 4.11 0.70 0.00 0.00 175.17 182.34 2yr0 h TRP 120 N 6.58 0.54 -0.71 2.11 5.08 -1.87 -2.45 115.95 125.24 2yr0 h TRP 120 Ca -0.00 -0.10 0.17 0.00 1.08 0.00 0.00 58.89 60.03 2yr0 h TRP 120 Cb 0.91 -0.14 -0.04 0.00 -3.00 0.00 0.00 29.16 26.89 2yr0 h TRP 120 CO 0.49 0.67 0.49 -1.35 -1.28 0.00 0.00 178.44 177.45 2yr0 h PRO 121 N 0.44 0.23 0.07 0.12 0.11 -1.99 0.57 132.00 131.57 2yr0 h PRO 121 Ca 0.07 -0.01 -0.26 0.00 0.11 0.00 0.00 66.00 65.91 2yr0 h PRO 121 Cb 0.61 -0.05 0.01 0.00 0.11 0.00 0.00 31.00 31.68 2yr0 h PRO 121 CO 0.04 0.15 -1.11 0.87 -0.21 0.00 0.00 178.00 177.74 2yr0 h LYS 122 N 0.24 0.39 -0.06 1.05 1.79 -1.85 -1.65 116.57 116.48 2yr0 h LYS 122 Ca 0.35 -0.52 -0.01 0.00 -2.18 0.00 0.00 60.65 58.28 2yr0 h LYS 122 Cb 1.01 0.17 -0.00 0.00 -1.58 0.00 0.00 32.23 31.83 2yr0 h LYS 122 CO -0.07 1.20 -0.00 0.28 -1.08 0.00 0.00 179.45 179.77 2yr0 h VAL 123 N 0.17 1.26 -0.45 0.50 2.07 -0.59 -0.84 116.25 118.37 2yr0 h VAL 123 Ca -0.12 -0.79 0.05 0.00 0.82 0.00 0.00 66.70 66.66 2yr0 h VAL 123 Cb 1.79 1.67 -0.05 0.00 -1.52 0.00 0.00 31.29 33.18 2yr0 h VAL 123 CO 0.19 0.22 0.19 0.25 0.02 0.00 0.00 177.57 178.44 2yr0 h LEU 124 N -0.19 0.24 -0.67 2.57 5.85 -0.03 0.58 115.31 123.66 2yr0 h LEU 124 Ca 0.02 0.04 0.07 0.00 0.84 0.00 0.00 57.88 58.85 2yr0 h LEU 124 Cb 0.34 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.32 2yr0 h LEU 124 CO 0.00 0.17 0.36 0.00 -0.34 0.00 0.00 178.44 178.63 2yr0 h ALA 125 N 1.27 0.90 -0.57 1.25 0.00 -1.17 0.12 119.26 121.07 2yr0 h ALA 125 Ca 0.21 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 2yr0 h ALA 125 Cb 0.17 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2yr0 h ALA 125 CO -0.18 0.01 0.02 0.93 0.00 0.00 0.00 179.25 180.03 2yr0 h GLU 126 N 0.64 0.99 -0.41 0.00 4.39 -0.14 -1.57 114.58 118.49 2yr0 h GLU 126 Ca 0.31 -0.30 0.01 0.00 0.34 0.00 0.00 59.36 59.71 2yr0 h GLU 126 Cb 0.24 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.77 2yr0 h GLU 126 CO -0.21 0.98 0.27 0.00 -1.16 0.00 0.00 179.01 178.89 2yr0 h ALA 127 N 0.98 0.52 -0.54 3.43 0.00 -0.13 -2.31 119.26 121.20 2yr0 h ALA 127 Ca 0.17 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 2yr0 h ALA 127 Cb 0.51 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2yr0 h ALA 127 CO 0.02 -0.04 0.03 0.82 0.00 0.00 0.00 179.25 180.09 2yr0 h ILE 128 N 0.54 1.25 -0.65 0.00 2.04 -0.86 -2.99 117.51 116.84 2yr0 h ILE 128 Ca 0.15 -1.01 -0.00 0.00 1.00 0.00 0.00 64.86 65.00 2yr0 h ILE 128 Cb -0.05 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 36.80 2yr0 h ILE 128 CO -0.04 0.37 0.39 -0.09 0.00 0.00 0.00 178.15 178.77 2yr0 h ARG 129 N 0.83 0.88 -0.00 2.37 2.43 -0.84 -2.83 114.38 117.23 2yr0 h ARG 129 Ca 0.16 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 2yr0 h ARG 129 Cb 0.45 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 2yr0 h ARG 129 CO 0.02 0.63 -0.00 1.33 -1.51 0.00 0.00 179.97 180.44 2yr0 n VAL 130 N -4.58 0.00 -2.86 0.20 0.24 -0.91 -0.67 118.33 109.75 2yr0 n VAL 130 Ca 0.05 -0.00 -0.40 0.00 -2.04 0.00 0.00 64.34 61.95 2yr0 n VAL 130 Cb 0.06 -0.50 -0.05 0.00 -1.47 0.00 0.00 33.84 31.87 2yr0 n VAL 130 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2yr0 s LEU 131 N -2.82 4.57 0.68 1.34 1.43 -1.07 -0.36 118.68 122.44 2yr0 s LEU 131 Ca 0.20 1.73 -0.11 0.00 -1.03 0.00 0.00 54.13 54.92 2yr0 s LEU 131 Cb 0.20 -3.43 -0.00 0.00 0.03 0.00 0.00 46.19 42.98 2yr0 s LEU 131 CO 0.50 0.10 1.07 -0.54 0.23 0.00 0.00 176.35 177.72 2yr0 s LYS 132 N -0.73 3.07 0.30 1.70 1.02 0.25 -4.01 119.74 121.33 2yr0 s LYS 132 Ca 0.40 0.59 -0.30 0.00 0.02 0.00 0.00 55.97 56.68 2yr0 s LYS 132 Cb -0.24 -2.03 -0.12 0.00 -0.52 0.00 0.00 37.83 34.93 2yr0 s LYS 132 CO 0.28 -0.92 1.59 -2.30 -0.92 0.00 0.00 175.35 173.09 2yr0 n PRO 133 N -2.95 2.71 -0.77 -1.68 -0.02 -1.26 0.20 135.00 131.24 2yr0 n PRO 133 Ca 0.07 0.96 0.00 0.00 -2.02 0.00 0.00 63.50 62.51 2yr0 n PRO 133 Cb 0.56 -2.75 0.00 0.00 -0.02 0.00 0.00 33.50 31.29 2yr0 n PRO 133 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2yr0 n GLY 134 N 2.03 1.32 3.78 -1.23 0.00 -1.08 -5.01 105.19 105.00 2yr0 n GLY 134 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 2yr0 n GLY 134 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2yr0 s GLY 135 N -1.96 1.62 -0.01 -0.02 0.00 0.13 -4.56 107.32 102.53 2yr0 s GLY 135 Ca 0.00 -0.16 0.03 0.00 0.00 0.00 0.00 44.72 44.59 2yr0 s GLY 135 CO 0.00 0.28 -0.09 0.00 0.00 0.00 0.00 173.10 173.29 2yr0 s ALA 136 N -3.09 0.81 0.01 3.20 0.00 -0.17 -1.14 121.76 121.38 2yr0 s ALA 136 Ca 0.61 -0.38 -0.24 0.00 0.00 0.00 0.00 51.96 51.95 2yr0 s ALA 136 Cb -0.15 -0.24 -0.05 0.00 0.00 0.00 0.00 23.12 22.68 2yr0 s ALA 136 CO 0.55 0.18 0.73 -1.17 0.00 0.00 0.00 175.76 176.05 2yr0 s LEU 137 N -0.09 4.41 -0.32 0.00 2.96 0.20 -2.35 118.68 123.50 2yr0 s LEU 137 Ca 0.02 1.36 0.03 0.00 -0.22 0.00 0.00 54.13 55.31 2yr0 s LEU 137 Cb -0.05 -3.17 0.09 0.00 0.50 0.00 0.00 46.19 43.56 2yr0 s LEU 137 CO -0.00 -0.01 0.03 -0.76 -1.32 0.00 0.00 176.35 174.29 2yr0 s LEU 138 N 0.14 4.02 -0.09 -0.68 1.43 0.56 -1.64 118.68 122.42 2yr0 s LEU 138 Ca 0.38 -1.89 -0.05 0.00 -1.03 0.00 0.00 54.13 51.54 2yr0 s LEU 138 Cb -0.20 -1.47 -0.04 0.00 0.03 0.00 0.00 46.19 44.52 2yr0 s LEU 138 CO 0.21 -0.35 0.11 -1.61 0.23 0.00 0.00 176.35 174.95 2yr0 s GLU 139 N 1.08 3.30 0.03 1.70 2.02 -0.59 -0.94 118.70 125.30 2yr0 s GLU 139 Ca 0.07 -0.25 -0.01 0.00 0.02 0.00 0.00 54.97 54.79 2yr0 s GLU 139 Cb -0.19 -3.06 -0.03 0.00 0.10 0.00 0.00 34.13 30.96 2yr0 s GLU 139 CO -0.10 0.74 -0.01 0.20 0.02 0.00 0.00 175.26 176.10 2yr0 s GLY 140 N -1.20 0.32 -0.08 -1.39 0.00 -0.99 -0.27 107.32 103.71 2yr0 s GLY 140 Ca 0.17 -0.82 -0.30 0.00 0.00 0.00 0.00 44.72 43.77 2yr0 s GLY 140 CO 0.07 -0.91 0.84 0.66 0.00 0.00 0.00 173.10 173.76 2yr0 s TRP 141 N -2.54 -0.49 0.36 1.90 -2.14 -0.86 -3.82 118.94 111.33 2yr0 s TRP 141 Ca -0.06 0.77 -0.13 0.00 2.66 0.00 0.00 56.10 59.35 2yr0 s TRP 141 Cb -0.02 0.45 -0.08 0.00 -3.10 0.00 0.00 33.47 30.72 2yr0 s TRP 141 CO -0.05 -0.49 0.74 -0.51 -2.66 0.00 0.00 176.95 173.98 2yr0 s ASP 142 N -1.37 6.65 -0.05 -2.66 1.01 -1.26 -1.55 116.67 117.44 2yr0 s ASP 142 Ca -0.05 1.19 -0.02 0.00 0.71 0.00 0.00 52.55 54.38 2yr0 s ASP 142 Cb -0.00 -2.34 0.03 0.00 1.01 0.00 0.00 42.92 41.62 2yr0 s ASP 142 CO 0.03 -0.29 0.08 -1.58 0.21 0.00 0.00 175.17 173.62 2yr0 s GLN 143 N -3.38 -0.04 0.02 8.23 0.74 -0.43 -4.95 119.66 119.84 2yr0 s GLN 143 Ca 0.52 0.41 0.05 0.00 0.05 0.00 0.00 55.36 56.39 2yr0 s GLN 143 Cb -0.10 -0.42 -0.03 0.00 1.10 0.00 0.00 33.01 33.55 2yr0 s GLN 143 CO 0.24 -0.30 -0.11 0.00 -0.55 0.00 0.00 175.29 174.57 2yr0 s ALA 144 N 2.07 2.87 0.55 1.58 0.00 -1.26 -0.35 121.76 127.22 2yr0 s ALA 144 Ca 0.03 -1.09 -0.03 0.00 0.00 0.00 0.00 51.96 50.87 2yr0 s ALA 144 Cb -0.12 -0.98 0.01 0.00 0.00 0.00 0.00 23.12 22.03 2yr0 s ALA 144 CO -0.04 0.60 0.82 -1.21 0.00 0.00 0.00 175.76 175.94 2yr0 s GLU 145 N -1.49 2.83 0.39 0.00 0.41 0.52 -4.99 118.70 116.38 2yr0 s GLU 145 Ca 0.17 -0.31 -0.25 0.00 -0.41 0.00 0.00 54.97 54.17 2yr0 s GLU 145 Cb -0.11 -2.39 -0.11 0.00 -1.78 0.00 0.00 34.13 29.74 2yr0 s GLU 145 CO 0.07 -0.62 1.08 0.00 -0.49 0.00 0.00 175.26 175.30 2yr0 n ALA 146 N -2.42 0.42 -3.85 5.21 0.00 -1.26 -4.62 120.51 113.99 2yr0 n ALA 146 Ca 0.04 0.28 -0.02 0.00 0.00 0.00 0.00 53.44 53.74 2yr0 n ALA 146 Cb 0.58 -2.12 0.01 0.00 0.00 0.00 0.00 19.45 17.92 2yr0 n ALA 146 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2yr0 s SER 147 N -0.63 -0.03 0.59 0.00 1.04 -1.26 -4.84 113.70 108.57 2yr0 s SER 147 Ca 0.61 -0.55 0.30 0.00 0.48 0.00 0.00 55.95 56.79 2yr0 s SER 147 Cb -0.57 0.44 1.77 0.00 0.10 0.00 0.00 66.02 67.76 2yr0 s SER 147 CO 0.58 -0.87 2.19 -0.65 0.98 0.00 0.00 173.24 175.48 2yr0 h PRO 148 N 2.00 0.00 -0.64 4.02 0.11 -1.94 0.22 132.00 135.76 2yr0 h PRO 148 Ca -0.27 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.77 2yr0 h PRO 148 Cb 1.22 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.30 2yr0 h PRO 148 CO 0.33 0.00 0.13 1.49 -0.21 0.00 0.00 178.00 179.74 2yr0 h GLU 149 N 0.00 1.05 -0.66 1.05 4.81 -1.94 0.50 114.58 119.39 2yr0 h GLU 149 Ca 0.03 -0.27 -0.00 0.00 -0.13 0.00 0.00 59.36 58.99 2yr0 h GLU 149 Cb 0.20 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.42 2yr0 h GLU 149 CO -0.00 0.96 0.41 2.35 -0.73 0.00 0.00 179.01 182.00 2yr0 h TRP 150 N 0.97 0.86 -0.58 0.92 7.01 -1.31 -1.36 115.95 122.45 2yr0 h TRP 150 Ca 0.20 0.00 0.05 0.00 2.11 0.00 0.00 58.89 61.25 2yr0 h TRP 150 Cb 0.40 -0.28 -0.05 0.00 -2.10 0.00 0.00 29.16 27.13 2yr0 h TRP 150 CO 0.03 0.57 0.31 1.15 -2.79 0.00 0.00 178.44 177.71 2yr0 h THR 151 N 0.89 0.96 -0.49 2.65 2.02 -0.86 -0.96 112.91 117.13 2yr0 h THR 151 Ca 0.24 -0.20 -0.07 0.00 0.77 0.00 0.00 66.41 67.15 2yr0 h THR 151 Cb -0.05 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 66.67 2yr0 h THR 151 CO -0.05 0.11 0.02 -0.07 0.37 0.00 0.00 175.52 175.90 2yr0 h LEU 152 N 0.58 0.83 -0.83 2.58 3.38 -0.38 -0.88 115.31 120.59 2yr0 h LEU 152 Ca 0.26 -0.30 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 2yr0 h LEU 152 Cb 0.16 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 2yr0 h LEU 152 CO -0.17 0.92 0.26 1.56 0.09 0.00 0.00 178.44 181.10 2yr0 h GLN 153 N 0.71 1.12 -0.46 1.13 4.20 -0.96 0.12 115.11 120.97 2yr0 h GLN 153 Ca 0.14 -0.22 -0.11 0.00 0.06 0.00 0.00 58.65 58.52 2yr0 h GLN 153 Cb 0.48 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.08 2yr0 h GLN 153 CO 0.02 0.94 -0.17 0.93 -0.67 0.00 0.00 178.83 179.88 2yr0 h GLU 154 N 1.09 0.88 -0.64 1.46 4.39 -1.02 -0.62 114.58 120.12 2yr0 h GLU 154 Ca 0.24 -0.34 -0.05 0.00 0.34 0.00 0.00 59.36 59.55 2yr0 h GLU 154 Cb 0.26 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.84 2yr0 h GLU 154 CO -0.01 0.98 0.19 -0.09 -1.16 0.00 0.00 179.01 178.91 2yr0 h ARG 155 N 0.78 0.98 -0.34 2.33 9.65 -0.75 0.18 114.38 127.20 2yr0 h ARG 155 Ca 0.11 -0.20 0.00 0.00 -1.10 0.00 0.00 59.98 58.80 2yr0 h ARG 155 Cb 0.70 -0.15 -0.02 0.00 -1.39 0.00 0.00 29.97 29.12 2yr0 h ARG 155 CO 0.05 0.85 0.22 2.35 2.80 0.00 0.00 179.97 186.24 2yr0 h TRP 156 N 0.94 0.44 -0.78 2.20 7.01 0.04 -0.37 115.95 125.42 2yr0 h TRP 156 Ca 0.21 0.00 -0.03 0.00 2.11 0.00 0.00 58.89 61.18 2yr0 h TRP 156 Cb 0.29 -0.15 -0.04 0.00 -2.10 0.00 0.00 29.16 27.17 2yr0 h TRP 156 CO 0.02 0.30 0.38 0.00 -2.79 0.00 0.00 178.44 176.34 2yr0 h ARG 157 N 0.45 1.13 -0.30 2.65 3.08 -0.56 -0.77 114.38 120.07 2yr0 h ARG 157 Ca 0.12 -0.17 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 2yr0 h ARG 157 Cb -0.03 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.81 2yr0 h ARG 157 CO -0.03 0.88 0.12 0.00 -1.07 0.00 0.00 179.97 179.87 2yr0 h ALA 158 N 1.19 0.39 -0.60 0.04 0.00 -0.57 -2.07 119.26 117.65 2yr0 h ALA 158 Ca 0.27 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 2yr0 h ALA 158 Cb 0.12 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 2yr0 h ALA 158 CO -0.03 -0.02 0.25 0.74 0.00 0.00 0.00 179.25 180.19 2yr0 h PHE 159 N 0.33 0.86 -0.55 0.00 0.04 -0.67 -1.27 116.94 115.68 2yr0 h PHE 159 Ca 0.10 -0.04 -0.04 0.00 2.80 0.00 0.00 57.97 60.79 2yr0 h PHE 159 Cb 0.18 -0.27 -0.02 0.00 2.20 0.00 0.00 35.95 38.04 2yr0 h PHE 159 CO -0.01 0.66 0.20 0.00 -0.60 0.00 0.00 178.31 178.56 2yr0 h ALA 160 N 1.42 0.72 -0.46 2.45 0.00 -0.92 -1.79 119.26 120.68 2yr0 h ALA 160 Ca 0.20 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2yr0 h ALA 160 Cb 0.15 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2yr0 h ALA 160 CO -0.02 0.35 0.14 0.00 0.00 0.00 0.00 179.25 179.72 2yr0 h ALA 161 N 1.06 1.38 0.00 0.00 0.00 -0.87 0.46 119.26 121.29 2yr0 h ALA 161 Ca 0.18 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 2yr0 h ALA 161 Cb 0.23 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2yr0 h ALA 161 CO -0.01 0.45 -0.19 1.49 0.00 0.00 0.00 179.25 180.99 2yr0 h GLU 162 N 0.67 0.00 0.00 0.00 4.81 -0.48 -0.36 114.58 119.22 2yr0 h GLU 162 Ca 0.16 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 2yr0 h GLU 162 Cb 0.20 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.58 2yr0 h GLU 162 CO -0.01 0.19 -0.10 0.39 -0.73 0.00 0.00 179.01 178.75 2yr0 n GLU 163 N -3.48 0.01 -0.15 1.92 -0.58 -0.71 -4.88 120.64 112.77 2yr0 n GLU 163 Ca -0.01 0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2yr0 n GLU 163 Cb 0.36 -1.51 0.00 0.00 -0.57 0.00 0.00 31.44 29.72 2yr0 n GLU 163 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2yr0 n GLY 164 N 1.49 0.91 2.59 0.62 0.00 -0.14 -5.01 105.19 105.64 2yr0 n GLY 164 Ca 0.07 -0.16 -0.21 0.00 0.00 0.00 0.00 46.02 45.71 2yr0 n GLY 164 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2yr0 n PHE 165 N -2.15 2.36 -1.62 1.61 3.72 0.07 -4.99 117.46 116.47 2yr0 n PHE 165 Ca 0.00 -3.55 -0.42 0.00 -0.05 0.00 0.00 57.45 53.43 2yr0 n PHE 165 Cb 0.00 -0.36 0.00 0.00 -0.94 0.00 0.00 39.48 38.18 2yr0 n PHE 165 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2yr0 n PRO 166 N -0.12 1.45 -4.18 -1.08 -0.04 -1.25 -4.08 135.00 125.70 2yr0 n PRO 166 Ca 0.27 0.51 -0.30 0.00 -0.04 0.00 0.00 63.50 63.94 2yr0 n PRO 166 Cb 0.60 -2.03 -0.08 0.00 -0.04 0.00 0.00 33.50 31.94 2yr0 n PRO 166 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2yr0 s VAL 167 N -1.21 3.95 0.53 0.52 1.01 -1.26 -4.92 120.40 119.02 2yr0 s VAL 167 Ca 0.61 -0.96 -0.21 0.00 0.00 0.00 0.00 61.98 61.42 2yr0 s VAL 167 Cb -0.59 -2.85 -0.05 0.00 0.00 0.00 0.00 36.38 32.89 2yr0 s VAL 167 CO 0.58 0.16 1.26 -0.70 0.00 0.00 0.00 175.10 176.41 2yr0 s GLU 168 N -2.16 3.28 -0.08 2.72 2.12 -1.26 -5.02 118.70 118.30 2yr0 s GLU 168 Ca 0.24 1.99 0.01 0.00 0.36 0.00 0.00 54.97 57.58 2yr0 s GLU 168 Cb -0.12 -2.22 -0.03 0.00 0.26 0.00 0.00 34.13 32.03 2yr0 s GLU 168 CO 0.16 -1.00 -0.11 0.50 -0.54 0.00 0.00 175.26 174.28 2yr0 s ARG 169 N -2.95 2.83 -0.81 4.30 3.52 -1.26 -4.88 118.95 119.71 2yr0 s ARG 169 Ca 0.71 -0.63 -0.17 0.00 -0.13 0.00 0.00 55.73 55.51 2yr0 s ARG 169 Cb -0.34 -2.54 0.02 0.00 -1.56 0.00 0.00 34.95 30.53 2yr0 s ARG 169 CO 0.40 0.54 0.49 0.41 -0.81 0.00 0.00 175.30 176.33 2yr0 n GLY 170 N 2.58 -0.75 0.14 8.12 0.00 -1.26 -4.91 105.19 109.10 2yr0 n GLY 170 Ca -0.18 0.32 -0.11 0.00 0.00 0.00 0.00 46.02 46.05 2yr0 n GLY 170 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2yr0 h LEU 171 N -0.78 0.37 -0.18 0.99 5.85 -1.99 -3.30 115.31 116.27 2yr0 h LEU 171 Ca -0.52 -0.31 0.03 0.00 0.84 0.00 0.00 57.88 57.92 2yr0 h LEU 171 Cb 1.05 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.94 2yr0 h LEU 171 CO 0.35 1.12 0.01 -0.74 -0.34 0.00 0.00 178.44 178.84 2yr0 h HIS 172 N 0.15 0.02 -0.05 1.25 2.76 -1.93 -0.93 115.15 116.41 2yr0 h HIS 172 Ca -0.06 0.01 0.04 0.00 -2.20 0.00 0.00 60.37 58.16 2yr0 h HIS 172 Cb 1.57 0.02 -0.06 0.00 1.55 0.00 0.00 27.41 30.50 2yr0 h HIS 172 CO 0.04 -0.01 -0.32 0.00 -1.30 0.00 0.00 177.93 176.35 2yr0 h ALA 173 N 1.15 -0.42 -0.97 5.26 0.00 -1.97 0.62 119.26 122.91 2yr0 h ALA 173 Ca 0.08 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.03 2yr0 h ALA 173 Cb 0.10 0.58 -0.06 0.00 0.00 0.00 0.00 17.79 18.41 2yr0 h ALA 173 CO -0.13 -0.82 0.64 -0.22 0.00 0.00 0.00 179.25 178.72 2yr0 h LYS 174 N -0.44 1.19 -0.47 0.00 3.64 -1.60 -1.49 116.57 117.39 2yr0 h LYS 174 Ca 0.07 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.35 2yr0 h LYS 174 Cb 0.55 -0.27 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 2yr0 h LYS 174 CO -0.30 0.79 0.15 -0.09 -2.27 0.00 0.00 179.45 177.72 2yr0 h ARG 175 N 1.22 0.72 -0.57 1.90 9.65 0.03 -2.25 114.38 125.09 2yr0 h ARG 175 Ca 0.39 -0.15 -0.01 0.00 -1.10 0.00 0.00 59.98 59.10 2yr0 h ARG 175 Cb 0.01 -0.11 -0.03 0.00 -1.39 0.00 0.00 29.97 28.46 2yr0 h ARG 175 CO -0.12 0.69 0.31 -0.07 2.80 0.00 0.00 179.97 183.58 2yr0 h LEU 176 N 0.62 0.69 -0.40 3.80 3.38 0.10 -2.17 115.31 121.33 2yr0 h LEU 176 Ca 0.15 -0.05 -0.11 0.00 0.09 0.00 0.00 57.88 57.96 2yr0 h LEU 176 Cb 0.26 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2yr0 h LEU 176 CO -0.01 0.56 -0.18 0.11 0.09 0.00 0.00 178.44 179.02 2yr0 h LYS 177 N 0.79 0.83 -0.23 1.13 1.79 -0.94 -2.66 116.57 117.28 2yr0 h LYS 177 Ca 0.20 -0.36 -0.10 0.00 -2.18 0.00 0.00 60.65 58.22 2yr0 h LYS 177 Cb 0.02 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.63 2yr0 h LYS 177 CO -0.03 0.99 -0.29 0.93 -1.08 0.00 0.00 179.45 179.97 2yr0 h GLU 178 N 0.64 0.45 -0.50 3.15 5.08 -1.10 -2.42 114.58 119.88 2yr0 h GLU 178 Ca 0.09 -0.18 -0.10 0.00 -1.00 0.00 0.00 59.36 58.17 2yr0 h GLU 178 Cb 0.73 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.94 2yr0 h GLU 178 CO 0.06 0.70 -0.08 0.28 -1.00 0.00 0.00 179.01 178.97 2yr0 h VAL 179 N 0.39 1.27 -0.69 3.13 2.07 -1.35 -2.50 116.25 118.57 2yr0 h VAL 179 Ca 0.05 -1.20 0.07 0.00 0.82 0.00 0.00 66.70 66.44 2yr0 h VAL 179 Cb 0.71 1.03 -0.06 0.00 -1.52 0.00 0.00 31.29 31.45 2yr0 h VAL 179 CO 0.05 0.42 0.36 -0.08 0.02 0.00 0.00 177.57 178.35 2yr0 h GLU 180 N 0.79 0.63 0.42 1.57 4.81 -1.24 -0.82 114.58 120.74 2yr0 h GLU 180 Ca 0.13 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 2yr0 h GLU 180 Cb 0.63 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.85 2yr0 h GLU 180 CO 0.04 0.42 -0.34 1.49 -0.73 0.00 0.00 179.01 179.88 2yr0 h GLU 181 N 0.65 -0.73 -0.52 1.92 4.81 -1.25 -2.30 114.58 117.15 2yr0 h GLU 181 Ca 0.32 0.05 0.09 0.00 -0.13 0.00 0.00 59.36 59.70 2yr0 h GLU 181 Cb 0.27 0.17 -0.08 0.00 0.63 0.00 0.00 28.75 29.74 2yr0 h GLU 181 CO -0.22 -0.49 0.08 0.00 -0.73 0.00 0.00 179.01 177.65 2yr0 h ALA 182 N -0.32 0.57 -0.17 2.92 0.00 -0.98 -2.12 119.26 119.16 2yr0 h ALA 182 Ca -0.04 0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.03 2yr0 h ALA 182 Cb 0.66 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 2yr0 h ALA 182 CO -0.02 -0.33 -0.05 -0.07 0.00 0.00 0.00 179.25 178.78 2yr0 h LEU 183 N 0.21 -0.18 -0.26 0.00 3.38 -0.88 0.07 115.31 117.65 2yr0 h LEU 183 Ca 0.27 0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.32 2yr0 h LEU 183 Cb 0.38 0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 2yr0 h LEU 183 CO -0.37 -0.07 0.09 0.03 0.09 0.00 0.00 178.44 178.21 2yr0 h ARG 184 N -0.01 0.20 -0.95 1.13 3.08 -1.19 -0.10 114.38 116.54 2yr0 h ARG 184 Ca 0.09 -0.01 0.12 0.00 0.07 0.00 0.00 59.98 60.24 2yr0 h ARG 184 Cb 0.14 -0.05 -0.08 0.00 0.08 0.00 0.00 29.97 30.07 2yr0 h ARG 184 CO -0.19 0.13 0.61 -0.09 -1.07 0.00 0.00 179.97 179.36 2yr0 h ARG 185 N 0.21 0.88 -0.00 0.04 2.43 -1.01 0.38 114.38 117.31 2yr0 h ARG 185 Ca 0.11 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 2yr0 h ARG 185 Cb 0.08 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.43 2yr0 h ARG 185 CO -0.12 0.58 -0.04 1.28 -1.51 0.00 0.00 179.97 180.17 2yr0 n LEU 186 N -4.58 0.10 0.00 3.80 4.77 -0.02 -4.90 117.00 116.17 2yr0 n LEU 186 Ca 0.18 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.41 2yr0 n LEU 186 Cb 0.36 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 2yr0 n LEU 186 CO 0.29 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 2yr0 n GLY 187 N 1.32 0.54 0.32 -0.72 0.00 0.12 -4.95 105.19 101.82 2yr0 n GLY 187 Ca 0.13 -0.65 0.11 0.00 0.00 0.00 0.00 46.02 45.61 2yr0 n GLY 187 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2yr0 n LEU 188 N 0.00 0.97 -3.49 0.99 4.32 -0.15 -4.93 117.00 114.72 2yr0 n LEU 188 Ca 0.00 -0.39 -0.19 0.00 -0.02 0.00 0.00 56.01 55.40 2yr0 n LEU 188 Cb 0.00 -0.05 0.00 0.00 -1.62 0.00 0.00 43.42 41.75 2yr0 n LEU 188 CO 0.00 0.20 -0.18 0.29 -1.22 0.00 0.00 177.39 176.47 2yr0 n LYS 189 N -0.16 -1.08 -1.75 3.23 5.02 -1.26 -1.28 118.16 120.89 2yr0 n LYS 189 Ca 0.16 0.50 -0.42 0.00 -2.02 0.00 0.00 58.31 56.52 2yr0 n LYS 189 Cb 0.23 -1.60 -0.03 0.00 -0.02 0.00 0.00 35.03 33.61 2yr0 n LYS 189 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2yr0 s PRO 190 N -4.34 3.90 -0.20 1.97 0.04 -1.26 -4.60 135.00 130.50 2yr0 s PRO 190 Ca 0.02 2.34 -0.03 0.00 0.04 0.00 0.00 61.00 63.37 2yr0 s PRO 190 Cb -0.01 -4.17 -0.01 0.00 0.04 0.00 0.00 34.50 30.35 2yr0 s PRO 190 CO 0.66 -1.22 -0.07 1.03 0.04 0.00 0.00 177.00 177.44 2yr0 s ARG 191 N 4.83 3.36 -0.13 4.56 0.52 -0.48 -4.93 118.95 126.69 2yr0 s ARG 191 Ca 0.87 -0.64 -0.06 0.00 -0.52 0.00 0.00 55.73 55.38 2yr0 s ARG 191 Cb -0.38 -2.93 -0.04 0.00 0.52 0.00 0.00 34.95 32.13 2yr0 s ARG 191 CO 0.37 -0.13 0.08 0.99 0.02 0.00 0.00 175.30 176.63 2yr0 s THR 192 N 1.29 5.01 0.01 0.02 2.01 -1.26 -1.41 115.64 121.30 2yr0 s THR 192 Ca 0.03 0.03 -0.05 0.00 0.31 0.00 0.00 61.69 62.01 2yr0 s THR 192 Cb -0.14 -3.18 -0.01 0.00 0.01 0.00 0.00 72.50 69.18 2yr0 s THR 192 CO -0.03 0.57 0.08 -0.60 -0.69 0.00 0.00 174.62 173.95 2yr0 s ARG 193 N -0.60 0.45 -0.31 4.92 3.52 -0.83 -5.00 118.95 121.11 2yr0 s ARG 193 Ca 0.11 -0.53 -0.23 0.00 -0.13 0.00 0.00 55.73 54.96 2yr0 s ARG 193 Cb -0.12 0.18 -0.00 0.00 -1.56 0.00 0.00 34.95 33.45 2yr0 s ARG 193 CO 0.02 -0.10 0.75 -2.00 -0.81 0.00 0.00 175.30 173.16 2yr0 s GLU 194 N -1.63 3.95 0.00 5.12 2.12 -1.26 -0.75 118.70 126.24 2yr0 s GLU 194 Ca -0.13 0.52 0.19 0.00 0.36 0.00 0.00 54.97 55.91 2yr0 s GLU 194 Cb -0.07 -3.73 -0.08 0.00 0.26 0.00 0.00 34.13 30.51 2yr0 s GLU 194 CO -0.00 -0.66 0.92 1.33 -0.54 0.00 0.00 175.26 176.31 2yr0 n VAL 195 N 5.51 0.00 -3.58 3.70 0.24 -0.19 -4.97 118.33 119.03 2yr0 n VAL 195 Ca 0.03 -0.21 -0.14 0.00 -2.04 0.00 0.00 64.34 61.98 2yr0 n VAL 195 Cb 0.48 1.15 -0.06 0.00 -1.47 0.00 0.00 33.84 33.94 2yr0 n VAL 195 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2yr0 s ALA 196 N -2.41 -1.84 -0.12 2.33 0.00 -1.21 -4.66 121.76 113.84 2yr0 s ALA 196 Ca 0.13 1.63 -0.06 0.00 0.00 0.00 0.00 51.96 53.67 2yr0 s ALA 196 Cb 0.15 -0.67 0.05 0.00 0.00 0.00 0.00 23.12 22.66 2yr0 s ALA 196 CO 0.59 -0.33 0.28 0.50 0.00 0.00 0.00 175.76 176.80 2yr0 s ARG 197 N -0.59 0.22 0.32 0.00 3.52 -1.26 -0.38 118.95 120.78 2yr0 s ARG 197 Ca -0.04 0.64 -0.11 0.00 -0.13 0.00 0.00 55.73 56.08 2yr0 s ARG 197 Cb -0.02 -0.07 0.02 0.00 -1.56 0.00 0.00 34.95 33.31 2yr0 s ARG 197 CO 0.03 -0.20 0.59 1.67 -0.81 0.00 0.00 175.30 176.59 2yr0 s TRP 198 N 1.61 0.44 -0.04 5.12 -2.14 -0.49 -5.00 118.94 118.44 2yr0 s TRP 198 Ca -0.06 -0.87 0.02 0.00 2.66 0.00 0.00 56.10 57.85 2yr0 s TRP 198 Cb -0.11 0.35 0.01 0.00 -3.10 0.00 0.00 33.47 30.63 2yr0 s TRP 198 CO -0.09 -1.23 -0.08 1.03 -2.66 0.00 0.00 176.95 173.92 2yr0 s ARG 199 N -3.24 1.12 0.35 3.25 0.52 -1.26 -1.16 118.95 118.54 2yr0 s ARG 199 Ca 0.22 -0.26 0.06 0.00 -0.52 0.00 0.00 55.73 55.23 2yr0 s ARG 199 Cb -0.02 -1.02 -0.07 0.00 0.52 0.00 0.00 34.95 34.36 2yr0 s ARG 199 CO 0.13 0.02 -0.01 -1.83 0.02 0.00 0.00 175.30 173.63 2yr0 s GLU 200 N 0.60 1.77 0.14 3.54 -1.05 -0.61 -4.94 118.70 118.14 2yr0 s GLU 200 Ca -0.10 -1.96 -0.09 0.00 -0.15 0.00 0.00 54.97 52.67 2yr0 s GLU 200 Cb -0.13 -1.35 -0.06 0.00 -0.44 0.00 0.00 34.13 32.15 2yr0 s GLU 200 CO 0.01 -0.04 0.45 -1.21 0.95 0.00 0.00 175.26 175.42 2yr0 s GLU 201 N -3.75 3.77 -0.15 -4.83 2.02 -1.26 -1.25 118.70 113.25 2yr0 s GLU 201 Ca 0.34 0.18 -0.09 0.00 0.02 0.00 0.00 54.97 55.42 2yr0 s GLU 201 Cb 0.07 -2.87 0.05 0.00 0.10 0.00 0.00 34.13 31.48 2yr0 s GLU 201 CO 0.16 0.47 0.37 0.50 0.02 0.00 0.00 175.26 176.78 2yr0 s ARG 202 N -2.29 0.36 0.32 1.61 6.06 -0.78 -4.93 118.95 119.29 2yr0 s ARG 202 Ca 0.39 0.71 0.06 0.00 -2.50 0.00 0.00 55.73 54.39 2yr0 s ARG 202 Cb -0.13 -0.02 -0.01 0.00 0.06 0.00 0.00 34.95 34.84 2yr0 s ARG 202 CO 0.20 -0.15 0.43 0.95 -2.50 0.00 0.00 175.30 174.24 2yr0 s THR 203 N 1.25 4.17 0.32 4.11 -4.23 -1.26 -1.12 115.64 118.88 2yr0 s THR 203 Ca -0.09 -1.04 -0.00 0.00 -1.18 0.00 0.00 61.69 59.38 2yr0 s THR 203 Cb -0.08 -3.44 0.26 0.00 1.34 0.00 0.00 72.50 70.58 2yr0 s THR 203 CO -0.11 -0.18 1.98 -0.65 -0.54 0.00 0.00 174.62 175.12 2yr0 h PRO 204 N 0.98 1.00 -0.22 3.99 0.11 -1.68 -2.23 132.00 133.95 2yr0 h PRO 204 Ca -0.46 -0.06 0.04 0.00 0.11 0.00 0.00 66.00 65.62 2yr0 h PRO 204 Cb 1.25 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 32.10 2yr0 h PRO 204 CO 0.54 0.66 -0.01 -0.09 -0.21 0.00 0.00 178.00 178.90 2yr0 h ARG 205 N 1.03 0.06 -0.47 1.05 2.43 -1.45 -0.27 114.38 116.75 2yr0 h ARG 205 Ca 0.28 -0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.46 2yr0 h ARG 205 Cb -0.10 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.41 2yr0 h ARG 205 CO -0.06 0.04 0.31 0.93 -1.51 0.00 0.00 179.97 179.68 2yr0 h GLU 206 N 0.06 0.61 -0.51 0.20 5.08 -1.71 0.17 114.58 118.47 2yr0 h GLU 206 Ca 0.10 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.36 2yr0 h GLU 206 Cb 0.13 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 2yr0 h GLU 206 CO -0.18 0.40 0.07 0.00 -1.00 0.00 0.00 179.01 178.30 2yr0 h ALA 207 N 1.18 0.68 -0.75 3.43 0.00 -1.15 -1.25 119.26 121.40 2yr0 h ALA 207 Ca 0.18 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 2yr0 h ALA 207 Cb -0.06 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 2yr0 h ALA 207 CO -0.05 0.44 0.28 -0.07 0.00 0.00 0.00 179.25 179.85 2yr0 h LEU 208 N 0.74 1.05 -0.26 0.00 3.38 -0.75 -2.05 115.31 117.42 2yr0 h LEU 208 Ca 0.15 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2yr0 h LEU 208 Cb 0.43 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2yr0 h LEU 208 CO 0.01 0.94 0.09 -0.33 0.09 0.00 0.00 178.44 179.24 2yr0 h GLU 209 N 1.10 0.40 -0.99 1.13 5.08 -0.37 0.15 114.58 121.08 2yr0 h GLU 209 Ca 0.25 -0.08 0.13 0.00 -1.00 0.00 0.00 59.36 58.66 2yr0 h GLU 209 Cb 0.24 -0.06 -0.08 0.00 0.50 0.00 0.00 28.75 29.34 2yr0 h GLU 209 CO -0.02 0.46 0.62 0.00 -1.00 0.00 0.00 179.01 179.07 2yr0 h ALA 210 N 0.92 1.57 -0.12 3.43 0.00 -1.01 0.16 119.26 124.22 2yr0 h ALA 210 Ca 0.08 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2yr0 h ALA 210 Cb 0.22 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 2yr0 h ALA 210 CO -0.00 0.17 -0.02 -0.07 0.00 0.00 0.00 179.25 179.33 2yr0 h LEU 211 N 0.94 0.22 -1.17 0.00 3.38 -0.80 -2.69 115.31 115.19 2yr0 h LEU 211 Ca 0.50 -0.35 0.06 0.00 0.09 0.00 0.00 57.88 58.18 2yr0 h LEU 211 Cb 0.55 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 41.18 2yr0 h LEU 211 CO -0.27 0.52 0.58 0.28 0.09 0.00 0.00 178.44 179.64 2yr0 h SER 212 N -0.08 0.88 0.39 -0.43 0.02 0.56 -0.56 113.55 114.34 2yr0 h SER 212 Ca 0.03 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 2yr0 h SER 212 Cb 0.42 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.78 2yr0 h SER 212 CO 0.01 0.57 0.00 -0.62 -1.14 0.00 0.00 176.83 175.65 2yr0 n GLU 213 N -4.49 0.36 -3.61 3.45 1.02 0.43 -4.90 120.64 112.90 2yr0 n GLU 213 Ca 0.13 0.07 -0.21 0.00 -0.02 0.00 0.00 57.16 57.13 2yr0 n GLU 213 Cb 0.20 -1.50 0.05 0.00 -0.02 0.00 0.00 31.44 30.16 2yr0 n GLU 213 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2yr0 n ARG 214 N -1.26 -4.46 0.10 3.49 1.74 -0.22 -4.90 116.66 111.15 2yr0 n ARG 214 Ca 0.11 0.66 -0.02 0.00 -0.77 0.00 0.00 57.85 57.84 2yr0 n ARG 214 Cb 0.17 -5.24 -0.04 0.00 -1.02 0.00 0.00 32.46 26.33 2yr0 n ARG 214 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2yr0 h LEU 215 N -1.79 0.00 -9.56 0.55 3.38 -1.71 -3.45 115.31 102.74 2yr0 h LEU 215 Ca -0.61 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 56.77 2yr0 h LEU 215 Cb 1.35 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.04 2yr0 h LEU 215 CO 0.53 0.70 -0.13 -0.31 0.09 0.00 0.00 178.44 179.33 2yr0 s TYR 216 N -2.85 3.68 0.33 1.13 2.02 -1.26 -4.99 117.35 115.40 2yr0 s TYR 216 Ca 0.02 1.05 0.07 0.00 -0.37 0.00 0.00 57.07 57.84 2yr0 s TYR 216 Cb 0.09 -2.45 0.75 0.00 -0.40 0.00 0.00 41.96 39.95 2yr0 s TYR 216 CO 0.78 0.46 1.83 0.66 -1.57 0.00 0.00 175.55 177.70 2yr0 h SER 217 N 5.39 0.74 0.18 2.29 4.64 -2.00 0.04 113.55 124.83 2yr0 h SER 217 Ca -0.47 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 2yr0 h SER 217 Cb 1.20 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 2yr0 h SER 217 CO 0.67 0.34 0.00 2.22 -0.87 0.00 0.00 176.83 179.19 2yr0 n PHE 218 N -4.63 0.00 0.60 4.77 -1.74 -1.26 -1.55 117.46 113.65 2yr0 n PHE 218 Ca 0.20 0.00 0.06 0.00 -0.56 0.00 0.00 57.45 57.15 2yr0 n PHE 218 Cb 0.50 -0.34 -0.03 0.00 1.52 0.00 0.00 39.48 41.12 2yr0 n PHE 218 CO 0.00 0.00 0.00 0.25 -0.56 0.00 0.00 176.76 176.45 2yr0 n THR 219 N -1.34 0.00 1.44 1.97 -2.24 -0.01 -4.60 114.28 109.50 2yr0 n THR 219 Ca 0.03 -0.29 0.13 0.00 -2.27 0.00 0.00 64.05 61.65 2yr0 n THR 219 Cb 0.07 1.09 0.49 0.00 -2.10 0.00 0.00 70.33 69.89 2yr0 n THR 219 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2yr0 n GLN 220 N -0.66 1.65 -0.05 -0.78 6.02 -0.59 -4.18 117.38 118.78 2yr0 n GLN 220 Ca 0.04 -0.95 -0.09 0.00 -0.01 0.00 0.00 57.00 55.99 2yr0 n GLN 220 Cb 0.25 -1.45 -0.15 0.00 1.02 0.00 0.00 30.24 29.91 2yr0 n GLN 220 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2yr0 n GLY 221 N 1.15 -1.01 3.76 1.08 0.00 -1.26 -4.94 105.19 103.97 2yr0 n GLY 221 Ca 0.18 -0.16 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 2yr0 n GLY 221 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2yr0 s LEU 222 N -5.83 4.02 0.56 0.99 1.43 -1.26 -4.96 118.68 113.63 2yr0 s LEU 222 Ca -0.07 2.52 -0.21 0.00 -1.03 0.00 0.00 54.13 55.34 2yr0 s LEU 222 Cb 0.07 -4.16 -0.04 0.00 0.03 0.00 0.00 46.19 42.09 2yr0 s LEU 222 CO 0.83 -1.07 1.34 -2.84 0.23 0.00 0.00 176.35 174.83 2yr0 s PRO 223 N -2.63 3.07 0.25 1.29 0.02 -1.26 -4.76 135.00 130.98 2yr0 s PRO 223 Ca 0.64 2.18 -0.07 0.00 0.02 0.00 0.00 61.00 63.77 2yr0 s PRO 223 Cb -0.34 -2.19 0.44 0.00 0.02 0.00 0.00 34.50 32.43 2yr0 s PRO 223 CO 0.42 -1.22 1.63 1.49 -0.33 0.00 0.00 177.00 178.99 2yr0 h GLU 224 N 1.33 0.10 0.00 5.54 4.57 -1.97 -0.85 114.58 123.29 2yr0 h GLU 224 Ca -0.51 -0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 57.63 2yr0 h GLU 224 Cb 1.30 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.87 2yr0 h GLU 224 CO 0.57 0.07 -0.17 -1.35 -1.18 0.00 0.00 179.01 176.94 2yr0 h PRO 225 N 0.10 0.00 -0.09 0.92 0.11 -2.00 -1.63 132.00 129.42 2yr0 h PRO 225 Ca 0.42 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 66.41 2yr0 h PRO 225 Cb 0.74 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.85 2yr0 h PRO 225 CO -0.67 0.17 -0.41 0.28 -0.21 0.00 0.00 178.00 177.16 2yr0 h VAL 226 N 0.00 1.40 -0.83 3.15 2.07 -1.51 -2.51 116.25 118.01 2yr0 h VAL 226 Ca -0.00 -1.78 0.04 0.00 0.82 0.00 0.00 66.70 65.78 2yr0 h VAL 226 Cb 0.37 2.26 -0.05 0.00 -1.52 0.00 0.00 31.29 32.35 2yr0 h VAL 226 CO 0.02 0.52 0.53 -0.74 0.02 0.00 0.00 177.57 177.92 2yr0 h HIS 227 N -0.02 0.98 -0.48 1.57 6.17 -1.21 -0.72 115.15 121.45 2yr0 h HIS 227 Ca -0.03 0.03 0.05 0.00 0.71 0.00 0.00 60.37 61.12 2yr0 h HIS 227 Cb 1.06 -0.32 -0.04 0.00 2.52 0.00 0.00 27.41 30.62 2yr0 h HIS 227 CO 0.12 0.54 0.23 0.00 0.71 0.00 0.00 177.93 179.53 2yr0 h ALA 228 N 1.37 0.60 -0.60 5.26 0.00 -1.21 -2.20 119.26 122.48 2yr0 h ALA 228 Ca 0.35 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.22 2yr0 h ALA 228 Cb 0.07 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 2yr0 h ALA 228 CO -0.14 -0.13 0.11 0.00 0.00 0.00 0.00 179.25 179.09 2yr0 h ARG 229 N 0.45 0.95 -0.89 0.00 3.08 -0.91 -1.66 114.38 115.39 2yr0 h ARG 229 Ca 0.21 -0.23 0.00 0.00 0.07 0.00 0.00 59.98 60.04 2yr0 h ARG 229 Cb 0.14 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.06 2yr0 h ARG 229 CO -0.16 0.87 0.00 0.28 -1.07 0.00 0.00 179.97 179.89 2yr0 n VAL 230 N -4.24 0.10 0.00 2.04 0.31 -0.34 -2.20 118.33 114.00 2yr0 n VAL 230 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 2yr0 n VAL 230 Cb 0.26 -0.33 0.00 0.00 -0.91 0.00 0.00 33.84 32.86 2yr0 n VAL 230 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2yr0 n GLU 232 N 0.59 0.00 -0.14 5.55 1.02 -0.63 -0.20 120.64 126.83 2yr0 n GLU 232 Ca 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.04 2yr0 n GLU 232 Cb 0.09 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.50 2yr0 n GLU 232 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 2yr0 h ARG 233 N 0.00 0.71 -0.59 3.49 2.43 -1.71 -2.79 114.38 115.91 2yr0 h ARG 233 Ca 0.00 -0.21 -0.03 0.00 -0.81 0.00 0.00 59.98 58.93 2yr0 h ARG 233 Cb 0.00 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.45 2yr0 h ARG 233 CO 0.00 0.77 0.25 1.25 -1.51 0.00 0.00 179.97 180.73 2yr0 h LEU 234 N 0.55 0.81 -1.11 3.80 5.85 -0.86 -0.66 115.31 123.69 2yr0 h LEU 234 Ca 0.12 -0.16 0.05 0.00 0.84 0.00 0.00 57.88 58.73 2yr0 h LEU 234 Cb 0.43 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 41.20 2yr0 h LEU 234 CO 0.02 0.75 0.61 -0.50 -0.34 0.00 0.00 178.44 178.97 2yr0 h TRP 235 N 0.82 1.10 -0.20 1.25 4.06 -1.80 0.14 115.95 121.32 2yr0 h TRP 235 Ca 0.20 0.03 -0.19 0.00 2.06 0.00 0.00 58.89 60.99 2yr0 h TRP 235 Cb 0.19 -0.36 0.00 0.00 -1.00 0.00 0.00 29.16 27.98 2yr0 h TRP 235 CO 0.01 0.60 -0.64 0.00 -3.56 0.00 0.00 178.44 174.85 2yr0 h ALA 236 N 1.48 0.49 -0.52 1.49 0.00 -1.17 -2.18 119.26 118.85 2yr0 h ALA 236 Ca 0.39 -0.55 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 2yr0 h ALA 236 Cb 0.12 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2yr0 h ALA 236 CO -0.14 0.69 -0.09 2.35 0.00 0.00 0.00 179.25 182.07 2yr0 h TRP 237 N 0.53 1.06 -0.36 0.00 7.01 -0.54 -2.22 115.95 121.41 2yr0 h TRP 237 Ca -0.01 -0.20 -0.11 0.00 2.11 0.00 0.00 58.89 60.67 2yr0 h TRP 237 Cb 1.24 -0.27 -0.01 0.00 -2.10 0.00 0.00 29.16 28.01 2yr0 h TRP 237 CO 0.07 0.99 -0.22 0.00 -2.79 0.00 0.00 178.44 176.48 2yr0 h ALA 238 N 1.03 0.93 -0.22 2.65 0.00 -0.64 0.98 119.26 124.00 2yr0 h ALA 238 Ca 0.14 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 2yr0 h ALA 238 Cb 0.63 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2yr0 h ALA 238 CO 0.04 0.61 -0.16 0.93 0.00 0.00 0.00 179.25 180.67 2yr0 h GLU 239 N 0.62 0.37 0.01 0.00 5.08 -1.26 0.24 114.58 119.63 2yr0 h GLU 239 Ca 0.09 -0.11 -0.25 0.00 -1.00 0.00 0.00 59.36 58.10 2yr0 h GLU 239 Cb 0.71 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.89 2yr0 h GLU 239 CO 0.05 0.53 -1.30 0.00 -1.00 0.00 0.00 179.01 177.30 2yr0 h ALA 240 N 1.49 0.49 0.00 3.43 0.00 -0.88 -3.41 119.26 120.39 2yr0 h ALA 240 Ca 0.06 -1.12 0.00 0.00 0.00 0.00 0.00 54.91 53.85 2yr0 h ALA 240 Cb 0.49 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2yr0 h ALA 240 CO 0.03 1.36 -0.39 0.39 0.00 0.00 0.00 179.25 180.64 2yr0 n GLU 241 N -3.25 4.55 -0.21 0.00 -0.58 0.29 -4.76 120.64 116.68 2yr0 n GLU 241 Ca -0.07 -0.01 0.07 0.00 -0.42 0.00 0.00 57.16 56.73 2yr0 n GLU 241 Cb 0.99 -0.80 0.18 0.00 -0.57 0.00 0.00 31.44 31.24 2yr0 n GLU 241 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2yr0 n LEU 242 N -1.20 3.10 0.00 -4.62 4.77 0.83 -5.03 117.00 114.84 2yr0 n LEU 242 Ca 0.01 -2.01 0.00 0.00 -0.03 0.00 0.00 56.01 53.98 2yr0 n LEU 242 Cb 0.09 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 2yr0 n LEU 242 CO 0.11 0.77 0.00 0.61 -1.33 0.00 0.00 177.39 177.55 2yr0 n GLY 243 N 0.69 0.84 3.43 -0.72 0.00 -1.26 -4.56 105.19 103.62 2yr0 n GLY 243 Ca 0.14 -0.78 -0.51 0.00 0.00 0.00 0.00 46.02 44.86 2yr0 n GLY 243 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2yr0 n ASP 244 N -2.78 2.06 0.00 1.61 -0.08 -1.26 -4.77 116.55 111.33 2yr0 n ASP 244 Ca 0.00 0.43 0.05 0.00 -1.51 0.00 0.00 54.79 53.76 2yr0 n ASP 244 Cb 0.00 -1.24 0.25 0.00 2.34 0.00 0.00 41.12 42.47 2yr0 n ASP 244 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2yr0 n LEU 245 N 9.72 0.00 -0.66 -2.67 4.77 -1.26 -1.38 117.00 125.52 2yr0 n LEU 245 Ca 0.42 0.31 0.07 0.00 -0.03 0.00 0.00 56.01 56.78 2yr0 n LEU 245 Cb 0.22 -0.31 0.11 0.00 -2.33 0.00 0.00 43.42 41.10 2yr0 n LEU 245 CO 0.77 -0.21 0.55 0.47 -1.33 0.00 0.00 177.39 177.64 2yr0 n ASP 246 N -1.31 2.56 -4.68 -1.43 10.43 -1.26 -1.02 116.55 119.83 2yr0 n ASP 246 Ca 0.05 -1.75 -0.41 0.00 2.57 0.00 0.00 54.79 55.25 2yr0 n ASP 246 Cb 0.09 -0.11 -0.05 0.00 1.84 0.00 0.00 41.12 42.89 2yr0 n ASP 246 CO 0.00 0.00 0.00 -0.60 -1.07 0.00 0.00 177.20 175.53 2yr0 s ARG 247 N -1.11 4.31 0.38 -1.24 3.52 -0.48 -4.93 118.95 119.41 2yr0 s ARG 247 Ca 0.21 0.87 -0.25 0.00 -0.13 0.00 0.00 55.73 56.44 2yr0 s ARG 247 Cb 0.13 -3.54 -0.09 0.00 -1.56 0.00 0.00 34.95 29.89 2yr0 s ARG 247 CO 0.18 -0.20 1.05 -1.25 -0.81 0.00 0.00 175.30 174.28 2yr0 s PRO 248 N 1.71 4.24 0.24 5.12 0.04 -1.26 -4.17 135.00 140.93 2yr0 s PRO 248 Ca 0.36 1.55 0.09 0.00 0.04 0.00 0.00 61.00 63.04 2yr0 s PRO 248 Cb -0.17 -2.64 -0.05 0.00 0.04 0.00 0.00 34.50 31.68 2yr0 s PRO 248 CO 0.13 -0.08 -0.16 -0.59 0.04 0.00 0.00 177.00 176.35 2yr0 s PHE 249 N -1.58 1.97 0.30 0.56 -0.12 -0.28 -4.91 117.98 113.92 2yr0 s PHE 249 Ca 0.56 -0.49 -0.15 0.00 -0.05 0.00 0.00 56.93 56.79 2yr0 s PHE 249 Cb -0.23 -0.91 -0.09 0.00 -0.63 0.00 0.00 43.02 41.16 2yr0 s PHE 249 CO 0.29 0.49 0.73 -1.25 -0.05 0.00 0.00 175.22 175.43 2yr0 s PRO 250 N -3.60 4.03 -0.16 1.99 0.04 -1.26 -1.87 135.00 134.16 2yr0 s PRO 250 Ca 0.26 0.68 -0.02 0.00 0.04 0.00 0.00 61.00 61.96 2yr0 s PRO 250 Cb -0.02 -2.50 0.05 0.00 0.04 0.00 0.00 34.50 32.07 2yr0 s PRO 250 CO 0.11 0.20 0.01 0.08 0.04 0.00 0.00 177.00 177.43 2yr0 s VAL 251 N -1.91 0.60 -0.05 -0.36 1.01 -0.38 -4.75 120.40 114.55 2yr0 s VAL 251 Ca 0.52 -0.41 -0.21 0.00 0.00 0.00 0.00 61.98 61.89 2yr0 s VAL 251 Cb -0.11 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.27 2yr0 s VAL 251 CO 0.18 -0.03 0.61 -0.70 0.00 0.00 0.00 175.10 175.16 2yr0 s GLU 252 N 1.84 4.37 0.14 2.72 2.12 -1.26 -1.57 118.70 127.05 2yr0 s GLU 252 Ca 0.01 0.73 0.01 0.00 0.36 0.00 0.00 54.97 56.08 2yr0 s GLU 252 Cb -0.16 -3.40 -0.04 0.00 0.26 0.00 0.00 34.13 30.79 2yr0 s GLU 252 CO -0.07 0.21 -0.01 0.15 -0.54 0.00 0.00 175.26 175.00 2yr0 s LYS 253 N 0.36 0.97 0.05 4.30 1.02 -0.31 -0.35 119.74 125.77 2yr0 s LYS 253 Ca 0.32 -1.44 -0.08 0.00 0.02 0.00 0.00 55.97 54.79 2yr0 s LYS 253 Cb -0.17 -0.12 -0.00 0.00 -0.52 0.00 0.00 37.83 37.02 2yr0 s LYS 253 CO 0.16 -0.13 0.17 -0.98 -0.92 0.00 0.00 175.35 173.65 2yr0 s ARG 254 N -3.92 0.69 -0.13 1.68 1.70 0.52 -1.39 118.95 118.09 2yr0 s ARG 254 Ca 0.20 -0.71 0.03 0.00 -0.47 0.00 0.00 55.73 54.77 2yr0 s ARG 254 Cb 0.06 0.28 0.01 0.00 -0.57 0.00 0.00 34.95 34.73 2yr0 s ARG 254 CO 0.00 -0.19 -0.22 0.12 -1.08 0.00 0.00 175.30 173.93 2yr0 s PHE 255 N -2.76 2.65 -0.13 5.89 5.36 0.49 -1.31 117.98 128.17 2yr0 s PHE 255 Ca -0.04 -1.24 -0.07 0.00 -0.96 0.00 0.00 56.93 54.63 2yr0 s PHE 255 Cb -0.00 -1.80 -0.04 0.00 -0.34 0.00 0.00 43.02 40.84 2yr0 s PHE 255 CO -0.05 -0.55 0.11 -0.51 -1.46 0.00 0.00 175.22 172.76 2yr0 s LEU 256 N 0.69 4.19 -0.19 6.12 2.01 -0.59 -1.03 118.68 129.89 2yr0 s LEU 256 Ca -0.10 0.35 0.01 0.00 0.01 0.00 0.00 54.13 54.41 2yr0 s LEU 256 Cb -0.16 -2.03 0.04 0.00 0.01 0.00 0.00 46.19 44.05 2yr0 s LEU 256 CO 0.01 0.35 -0.13 -0.22 1.01 0.00 0.00 176.35 177.38 2yr0 s LEU 257 N -0.70 2.23 -0.30 1.79 2.96 0.07 -2.04 118.68 122.69 2yr0 s LEU 257 Ca 0.13 -0.81 -0.07 0.00 -0.22 0.00 0.00 54.13 53.16 2yr0 s LEU 257 Cb -0.12 -1.29 0.01 0.00 0.50 0.00 0.00 46.19 45.29 2yr0 s LEU 257 CO 0.03 -0.11 0.10 -0.60 -1.32 0.00 0.00 176.35 174.44 2yr0 s ARG 258 N 1.37 3.09 -0.23 1.98 3.52 0.63 -1.96 118.95 127.36 2yr0 s ARG 258 Ca 0.00 -0.86 -0.07 0.00 -0.13 0.00 0.00 55.73 54.67 2yr0 s ARG 258 Cb -0.15 -3.42 -0.03 0.00 -1.56 0.00 0.00 34.95 29.79 2yr0 s ARG 258 CO -0.09 -0.46 0.07 0.08 -0.81 0.00 0.00 175.30 174.08 2yr0 s VAL 259 N 1.51 4.40 -0.09 7.11 1.01 -0.50 -1.54 120.40 132.29 2yr0 s VAL 259 Ca 0.03 -0.15 0.02 0.00 0.00 0.00 0.00 61.98 61.88 2yr0 s VAL 259 Cb -0.17 -3.04 -0.01 0.00 0.00 0.00 0.00 36.38 33.16 2yr0 s VAL 259 CO 0.03 0.37 -0.17 -0.44 0.00 0.00 0.00 175.10 174.89 2yr0 s SER 260 N 1.32 3.74 -0.02 3.32 0.01 -0.65 -1.38 113.70 120.04 2yr0 s SER 260 Ca 0.05 -0.36 0.06 0.00 1.31 0.00 0.00 55.95 57.02 2yr0 s SER 260 Cb -0.15 -1.27 -0.02 0.00 0.21 0.00 0.00 66.02 64.79 2yr0 s SER 260 CO 0.03 0.22 -0.21 -0.60 0.41 0.00 0.00 173.24 173.10 2yr0 s ARG 261 N 0.00 2.24 0.00 12.44 6.06 -0.40 0.59 118.95 139.88 2yr0 s ARG 261 Ca -0.05 -0.86 0.29 0.00 -2.50 0.00 0.00 55.73 52.61 2yr0 s ARG 261 Cb -0.15 -2.18 1.18 0.00 0.06 0.00 0.00 34.95 33.86 2yr0 s ARG 261 CO 0.05 0.58 1.82 1.28 -2.50 0.00 0.00 175.30 176.52