#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 3.51 0.72 0.00 0.09 -1.26 -5.03 115.29 113.32 2yr0 s HIS 18 Ca 0.00 1.47 -0.16 0.00 -0.00 0.00 0.00 55.06 56.37 2yr0 s HIS 18 Cb 0.00 -2.71 0.03 0.00 -0.00 0.00 0.00 32.58 29.91 2yr0 s HIS 18 CO 0.00 0.15 1.25 -2.14 -0.00 0.00 0.00 174.74 174.00 2yr0 s PRO 19 N -2.53 2.10 0.21 8.40 0.02 -1.26 -4.68 135.00 137.26 2yr0 s PRO 19 Ca 0.52 1.92 -0.15 0.00 0.02 0.00 0.00 61.00 63.31 2yr0 s PRO 19 Cb -0.14 -1.81 0.22 0.00 0.02 0.00 0.00 34.50 32.79 2yr0 s PRO 19 CO 0.19 -1.90 1.62 -1.35 -0.33 0.00 0.00 177.00 175.22 2yr0 h PRO 20 N -0.15 -0.04 -0.79 5.54 0.11 -1.99 -1.24 132.00 133.44 2yr0 h PRO 20 Ca -0.49 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 2yr0 h PRO 20 Cb 1.32 0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.40 2yr0 h PRO 20 CO 0.50 -0.03 0.44 1.49 -0.21 0.00 0.00 178.00 180.19 2yr0 h GLU 21 N -0.04 1.09 -0.48 1.05 4.81 -1.99 -1.05 114.58 117.97 2yr0 h GLU 21 Ca 0.29 -0.12 -0.01 0.00 -0.13 0.00 0.00 59.36 59.39 2yr0 h GLU 21 Cb 0.49 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 2yr0 h GLU 21 CO -0.66 0.80 0.26 0.28 -0.73 0.00 0.00 179.01 178.95 2yr0 h VAL 22 N 1.09 1.17 -0.89 0.32 2.07 -1.68 0.67 116.25 119.01 2yr0 h VAL 22 Ca 0.28 -0.45 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 2yr0 h VAL 22 Cb 0.02 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 30.34 2yr0 h VAL 22 CO -0.05 0.18 0.53 0.00 0.02 0.00 0.00 177.57 178.26 2yr0 h ALA 23 N 1.10 1.27 -0.31 1.67 0.00 -0.93 -0.82 119.26 121.24 2yr0 h ALA 23 Ca 0.17 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2yr0 h ALA 23 Cb 0.07 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 2yr0 h ALA 23 CO -0.03 0.63 0.11 0.78 0.00 0.00 0.00 179.25 180.74 2yr0 h GLY 24 N 1.23 0.50 1.27 0.00 0.00 -0.50 -1.42 103.07 104.16 2yr0 h GLY 24 Ca 0.32 -0.28 -0.03 0.00 0.00 0.00 0.00 47.33 47.34 2yr0 h GLY 24 CO -0.06 0.27 0.30 1.46 0.00 0.00 0.00 176.54 178.51 2yr0 h GLN 25 N 0.34 0.94 -0.04 4.80 4.20 -0.45 -1.09 115.11 123.82 2yr0 h GLN 25 Ca 0.10 -0.13 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 2yr0 h GLN 25 Cb 0.21 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 27.82 2yr0 h GLN 25 CO -0.01 0.74 -0.03 0.82 -0.67 0.00 0.00 178.83 179.69 2yr0 h ILE 26 N 0.94 1.34 -0.53 2.54 2.04 -0.95 -1.68 117.51 121.21 2yr0 h ILE 26 Ca 0.23 -1.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.02 2yr0 h ILE 26 Cb 0.12 1.97 -0.03 0.00 -0.74 0.00 0.00 36.82 38.14 2yr0 h ILE 26 CO -0.03 0.29 0.30 0.00 0.00 0.00 0.00 178.15 178.71 2yr0 h ALA 27 N 0.59 1.54 -0.37 1.87 0.00 -1.16 -2.50 119.26 119.23 2yr0 h ALA 27 Ca 0.01 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 2yr0 h ALA 27 Cb 0.48 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2yr0 h ALA 27 CO 0.01 0.39 -0.09 1.15 0.00 0.00 0.00 179.25 180.71 2yr0 h THR 28 N 0.73 1.28 0.00 0.00 2.02 -1.13 0.40 112.91 116.20 2yr0 h THR 28 Ca 0.19 -1.16 0.00 0.00 0.77 0.00 0.00 66.41 66.21 2yr0 h THR 28 Cb -0.01 1.28 0.00 0.00 -1.74 0.00 0.00 68.15 67.68 2yr0 h THR 28 CO -0.03 0.38 0.00 0.00 0.37 0.00 0.00 175.52 176.24 2yr0 n ALA 29 N -2.44 1.56 0.00 6.16 0.00 -0.64 -1.48 120.51 123.68 2yr0 n ALA 29 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2yr0 n ALA 29 Cb 0.35 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.80 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 0.66 0.00 0.26 0.00 0.00 0.13 -2.77 120.51 118.78 2yr0 n ALA 31 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 2yr0 n ALA 31 Cb 0.09 0.00 0.67 0.00 0.00 0.00 0.00 19.45 20.21 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 1.28 0.00 0.02 -1.51 -3.07 113.55 110.28 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 0.13 -0.09 0.00 -1.14 0.00 0.00 176.83 175.73 2yr0 n ALA 33 N -2.22 2.41 -2.54 3.77 0.00 -1.12 -4.84 120.51 115.97 2yr0 n ALA 33 Ca -0.01 -0.08 -0.40 0.00 0.00 0.00 0.00 53.44 52.95 2yr0 n ALA 33 Cb 0.30 -1.42 -0.05 0.00 0.00 0.00 0.00 19.45 18.28 2yr0 n ALA 33 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2yr0 s VAL 34 N -3.09 4.85 -0.62 0.00 1.01 -1.16 -4.79 120.40 116.60 2yr0 s VAL 34 Ca 0.11 1.64 0.02 0.00 0.00 0.00 0.00 61.98 63.75 2yr0 s VAL 34 Cb 0.14 -4.13 0.15 0.00 0.00 0.00 0.00 36.38 32.55 2yr0 s VAL 34 CO 0.60 0.30 0.40 -1.00 0.00 0.00 0.00 175.10 175.40 2yr0 s HIS 35 N 0.37 3.37 -1.77 5.22 3.76 -1.26 -4.97 115.29 120.01 2yr0 s HIS 35 Ca 0.40 -3.06 0.06 0.00 -0.15 0.00 0.00 55.06 52.31 2yr0 s HIS 35 Cb -0.20 -2.95 0.20 0.00 1.11 0.00 0.00 32.58 30.75 2yr0 s HIS 35 CO 0.22 -0.73 1.11 -0.35 -0.85 0.00 0.00 174.74 174.13 2yr0 n PRO 36 N 2.94 1.63 -4.24 8.40 -0.04 -1.26 -4.67 135.00 137.76 2yr0 n PRO 36 Ca 0.10 -0.81 -0.36 0.00 -0.04 0.00 0.00 63.50 62.39 2yr0 n PRO 36 Cb 0.35 -1.27 -0.03 0.00 -0.04 0.00 0.00 33.50 32.50 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 0.15 -2.85 0.00 0.54 5.02 -1.26 -0.52 118.16 119.24 2yr0 n LYS 37 Ca 0.07 0.34 0.00 0.00 -2.02 0.00 0.00 58.31 56.71 2yr0 n LYS 37 Cb 0.25 -4.96 0.00 0.00 -0.02 0.00 0.00 35.03 30.30 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 -1.46 2.34 3.88 0.72 0.00 -1.26 -5.04 105.19 104.37 2yr0 n GLY 38 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.40 2.67 -0.09 1.61 2.02 0.32 -4.97 118.70 119.86 2yr0 s GLU 39 Ca 0.00 0.41 -0.30 0.00 0.02 0.00 0.00 54.97 55.10 2yr0 s GLU 39 Cb 0.00 -2.00 -0.04 0.00 0.10 0.00 0.00 34.13 32.19 2yr0 s GLU 39 CO 0.00 -1.16 1.47 -2.00 0.02 0.00 0.00 175.26 173.59 2yr0 s GLU 40 N -5.39 4.22 0.22 1.61 2.12 -1.26 -4.80 118.70 115.42 2yr0 s GLU 40 Ca 0.59 1.96 -0.31 0.00 0.36 0.00 0.00 54.97 57.57 2yr0 s GLU 40 Cb -0.11 -3.84 -0.11 0.00 0.26 0.00 0.00 34.13 30.32 2yr0 s GLU 40 CO 0.51 -0.75 1.64 -1.25 -0.54 0.00 0.00 175.26 174.87 2yr0 s PRO 41 N 3.59 4.15 -0.08 4.30 0.04 -1.26 -4.99 135.00 140.75 2yr0 s PRO 41 Ca 0.65 2.53 0.04 0.00 0.04 0.00 0.00 61.00 64.26 2yr0 s PRO 41 Cb -0.29 -3.08 0.00 0.00 0.04 0.00 0.00 34.50 31.17 2yr0 s PRO 41 CO 0.23 -0.67 -0.21 0.54 0.04 0.00 0.00 177.00 176.93 2yr0 s VAL 42 N 0.82 1.77 -0.02 -0.36 0.11 -1.26 -3.43 120.40 118.02 2yr0 s VAL 42 Ca 0.70 -0.87 0.00 0.00 -2.93 0.00 0.00 61.98 58.89 2yr0 s VAL 42 Cb -0.48 -1.53 -0.04 0.00 -1.53 0.00 0.00 36.38 32.81 2yr0 s VAL 42 CO 0.36 0.50 0.01 -0.36 -3.33 0.00 0.00 175.10 172.28 2yr0 s PHE 43 N 0.26 3.12 -0.10 1.54 0.08 -0.99 -1.77 117.98 120.11 2yr0 s PHE 43 Ca -0.13 0.12 0.04 0.00 0.12 0.00 0.00 56.93 57.08 2yr0 s PHE 43 Cb -0.16 -1.71 0.00 0.00 -0.57 0.00 0.00 43.02 40.59 2yr0 s PHE 43 CO 0.06 0.47 -0.24 -1.17 -0.10 0.00 0.00 175.22 174.24 2yr0 s LEU 44 N -1.41 2.10 -0.13 -0.37 2.96 0.21 -0.04 118.68 121.99 2yr0 s LEU 44 Ca 0.18 -0.56 -0.00 0.00 -0.22 0.00 0.00 54.13 53.53 2yr0 s LEU 44 Cb -0.12 -1.42 -0.01 0.00 0.50 0.00 0.00 46.19 45.15 2yr0 s LEU 44 CO 0.09 0.15 -0.13 -0.70 -1.32 0.00 0.00 176.35 174.44 2yr0 s GLU 45 N 0.38 3.38 -0.32 1.98 2.12 -0.01 -0.11 118.70 126.12 2yr0 s GLU 45 Ca -0.18 -0.68 -0.15 0.00 0.36 0.00 0.00 54.97 54.32 2yr0 s GLU 45 Cb -0.18 -2.64 -0.02 0.00 0.26 0.00 0.00 34.13 31.55 2yr0 s GLU 45 CO 0.08 0.20 0.35 -0.51 -0.54 0.00 0.00 175.26 174.84 2yr0 s LEU 46 N 0.39 4.33 0.00 2.70 1.02 -0.23 -1.50 118.68 125.39 2yr0 s LEU 46 Ca -0.10 -0.12 0.00 0.00 0.02 0.00 0.00 54.13 53.92 2yr0 s LEU 46 Cb -0.16 -2.33 0.00 0.00 0.02 0.00 0.00 46.19 43.72 2yr0 s LEU 46 CO 0.05 -0.28 0.00 0.61 0.02 0.00 0.00 176.35 176.75 2yr0 n GLY 47 N 4.92 0.53 0.32 -3.19 0.00 0.24 -4.49 105.19 103.52 2yr0 n GLY 47 Ca -0.09 -0.42 0.20 0.00 0.00 0.00 0.00 46.02 45.71 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 0.00 0.18 0.00 1.61 3.04 -1.28 -3.46 116.25 116.33 2yr0 h VAL 48 Ca 0.00 -0.03 0.00 0.00 -1.01 0.00 0.00 66.70 65.66 2yr0 h VAL 48 Cb 0.92 1.02 0.00 0.00 -2.01 0.00 0.00 31.29 31.22 2yr0 h VAL 48 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.57 177.17 2yr0 n GLY 49 N -1.12 3.31 0.58 3.17 0.00 -1.26 -0.87 105.19 108.99 2yr0 n GLY 49 Ca -0.03 -0.14 0.11 0.00 0.00 0.00 0.00 46.02 45.96 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 0.19 -0.51 2.61 -2.24 -1.26 -4.41 114.28 108.66 2yr0 n THR 50 Ca 0.00 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 2yr0 n THR 50 Cb 0.00 0.43 0.00 0.00 -2.10 0.00 0.00 70.33 68.66 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 1.16 0.90 0.24 3.38 0.00 -0.05 -4.33 105.19 106.49 2yr0 n GLY 51 Ca 0.17 -0.42 -0.01 0.00 0.00 0.00 0.00 46.02 45.76 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 0.51 0.09 1.61 2.43 -1.92 -0.77 114.38 116.34 2yr0 h ARG 52 Ca 0.00 -0.03 -0.30 0.00 -0.81 0.00 0.00 59.98 58.84 2yr0 h ARG 52 Cb 0.11 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 2yr0 h ARG 52 CO 0.00 0.34 -1.57 0.82 -1.51 0.00 0.00 179.97 178.05 2yr0 h ILE 53 N 0.53 1.09 0.18 1.20 1.08 -1.94 -3.39 117.51 116.24 2yr0 h ILE 53 Ca 0.31 -2.77 -0.01 0.00 -0.39 0.00 0.00 64.86 61.99 2yr0 h ILE 53 Cb 0.31 2.69 0.00 0.00 -3.07 0.00 0.00 36.82 36.74 2yr0 h ILE 53 CO -0.25 0.78 -0.09 0.00 -0.69 0.00 0.00 178.15 177.91 2yr0 h ALA 54 N 0.56 -0.24 -0.76 1.87 0.00 -1.82 -3.33 119.26 115.54 2yr0 h ALA 54 Ca -0.25 -0.11 0.16 0.00 0.00 0.00 0.00 54.91 54.71 2yr0 h ALA 54 Cb 2.00 0.09 -0.14 0.00 0.00 0.00 0.00 17.79 19.74 2yr0 h ALA 54 CO 0.14 -0.56 -0.13 1.25 0.00 0.00 0.00 179.25 179.95 2yr0 h LEU 55 N -0.39 -0.60 -1.05 0.00 7.12 -1.35 -1.01 115.31 118.04 2yr0 h LEU 55 Ca -0.02 0.22 0.08 0.00 0.13 0.00 0.00 57.88 58.29 2yr0 h LEU 55 Cb 0.30 0.43 -0.07 0.00 -0.53 0.00 0.00 40.66 40.79 2yr0 h LEU 55 CO 0.04 -0.23 0.63 -0.65 -0.13 0.00 0.00 178.44 178.10 2yr0 h PRO 56 N 0.03 1.05 0.02 5.25 0.11 -1.80 -0.47 132.00 136.19 2yr0 h PRO 56 Ca 0.38 -0.06 -0.15 0.00 0.11 0.00 0.00 66.00 66.27 2yr0 h PRO 56 Cb 0.62 -0.24 0.01 0.00 0.11 0.00 0.00 31.00 31.50 2yr0 h PRO 56 CO -0.75 0.70 -0.62 -0.07 -0.21 0.00 0.00 178.00 177.05 2yr0 h LEU 57 N 1.09 0.51 -0.68 2.35 3.38 -1.44 -3.21 115.31 117.29 2yr0 h LEU 57 Ca 0.44 -0.79 0.04 0.00 0.09 0.00 0.00 57.88 57.66 2yr0 h LEU 57 Cb 0.27 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.82 2yr0 h LEU 57 CO -0.19 1.24 0.41 0.40 0.09 0.00 0.00 178.44 180.39 2yr0 h ILE 58 N -0.16 1.06 -0.73 1.22 2.04 -1.00 -1.13 117.51 118.80 2yr0 h ILE 58 Ca -0.08 -0.27 0.13 0.00 1.00 0.00 0.00 64.86 65.64 2yr0 h ILE 58 Cb 1.35 0.19 -0.05 0.00 -0.74 0.00 0.00 36.82 37.57 2yr0 h ILE 58 CO 0.12 0.15 0.49 0.00 0.00 0.00 0.00 178.15 178.90 2yr0 h ALA 59 N 1.31 2.04 -0.03 1.87 0.00 -1.16 -0.04 119.26 123.26 2yr0 h ALA 59 Ca 0.28 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2yr0 h ALA 59 Cb 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2yr0 h ALA 59 CO -0.13 -0.23 0.00 0.54 0.00 0.00 0.00 179.25 179.43 2yr0 n ARG 60 N -4.48 1.10 -0.48 0.00 1.74 -0.43 -4.89 116.66 109.21 2yr0 n ARG 60 Ca 0.13 -0.15 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 2yr0 n ARG 60 Cb 0.47 -1.22 0.00 0.00 -1.02 0.00 0.00 32.46 30.69 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 0.75 0.75 3.76 -0.13 0.00 -0.03 -5.06 105.19 105.24 2yr0 n GLY 61 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.36 3.51 0.31 1.61 2.02 -1.19 -4.99 117.35 116.26 2yr0 s TYR 62 Ca 0.00 1.68 -0.29 0.00 -0.37 0.00 0.00 57.07 58.09 2yr0 s TYR 62 Cb 0.00 -3.29 -0.10 0.00 -0.40 0.00 0.00 41.96 38.17 2yr0 s TYR 62 CO 0.00 -0.63 1.23 1.03 -1.57 0.00 0.00 175.55 175.61 2yr0 s ARG 63 N -1.59 4.46 -0.02 -0.62 0.52 -1.22 -4.62 118.95 115.86 2yr0 s ARG 63 Ca 0.46 2.07 0.00 0.00 -0.52 0.00 0.00 55.73 57.74 2yr0 s ARG 63 Cb -0.31 -3.12 0.02 0.00 0.52 0.00 0.00 34.95 32.06 2yr0 s ARG 63 CO 0.40 -0.04 0.01 -0.47 0.02 0.00 0.00 175.30 175.22 2yr0 s TYR 64 N -1.13 0.12 -0.31 -0.53 5.04 -0.36 -2.36 117.35 117.82 2yr0 s TYR 64 Ca 0.47 0.05 -0.04 0.00 -2.44 0.00 0.00 57.07 55.12 2yr0 s TYR 64 Cb -0.37 -0.22 0.04 0.00 0.35 0.00 0.00 41.96 41.76 2yr0 s TYR 64 CO 0.48 -0.07 0.04 0.42 -1.34 0.00 0.00 175.55 175.08 2yr0 s ILE 65 N 0.72 3.31 -0.32 3.14 1.01 0.94 -0.24 121.20 129.75 2yr0 s ILE 65 Ca -0.06 -1.26 -0.12 0.00 0.00 0.00 0.00 60.65 59.21 2yr0 s ILE 65 Cb -0.09 -2.88 -0.02 0.00 0.01 0.00 0.00 42.46 39.48 2yr0 s ILE 65 CO -0.02 -0.12 0.21 0.00 0.00 0.00 0.00 174.94 175.02 2yr0 s ALA 66 N 1.32 3.48 -0.07 9.38 0.00 0.30 -0.83 121.76 135.35 2yr0 s ALA 66 Ca -0.04 -1.31 0.01 0.00 0.00 0.00 0.00 51.96 50.63 2yr0 s ALA 66 Cb -0.19 -2.58 -0.03 0.00 0.00 0.00 0.00 23.12 20.32 2yr0 s ALA 66 CO 0.00 -0.86 -0.09 -1.17 0.00 0.00 0.00 175.76 173.65 2yr0 s LEU 67 N 1.72 3.05 -0.09 0.00 0.20 -0.56 -0.04 118.68 122.95 2yr0 s LEU 67 Ca 0.06 -0.08 -0.30 0.00 0.69 0.00 0.00 54.13 54.51 2yr0 s LEU 67 Cb -0.17 -1.65 0.07 0.00 -0.43 0.00 0.00 46.19 44.01 2yr0 s LEU 67 CO 0.10 0.35 0.70 -0.62 -0.29 0.00 0.00 176.35 176.59 2yr0 s ASP 68 N -0.74 -0.67 0.17 3.68 -1.08 -0.43 -0.59 116.67 117.01 2yr0 s ASP 68 Ca 0.11 0.83 0.17 0.00 -0.52 0.00 0.00 52.55 53.14 2yr0 s ASP 68 Cb -0.11 0.69 -0.03 0.00 -1.46 0.00 0.00 42.92 42.01 2yr0 s ASP 68 CO 0.01 -0.54 1.10 0.00 0.52 0.00 0.00 175.17 176.27 2yr0 h ALA 69 N 3.33 0.65 -2.16 3.66 0.00 -1.85 -2.30 119.26 120.60 2yr0 h ALA 69 Ca -0.27 -0.59 -0.61 0.00 0.00 0.00 0.00 54.91 53.44 2yr0 h ALA 69 Cb 1.14 0.11 -0.11 0.00 0.00 0.00 0.00 17.79 18.93 2yr0 h ALA 69 CO 0.33 0.70 0.40 0.34 0.00 0.00 0.00 179.25 181.01 2yr0 s ASP 70 N -6.01 6.56 0.34 0.00 -1.08 -1.26 -4.77 116.67 110.45 2yr0 s ASP 70 Ca 0.00 0.37 0.02 0.00 -0.52 0.00 0.00 52.55 52.42 2yr0 s ASP 70 Cb 0.08 -2.40 0.60 0.00 -1.46 0.00 0.00 42.92 39.74 2yr0 s ASP 70 CO 0.78 -0.75 2.00 0.00 0.52 0.00 0.00 175.17 177.72 2yr0 h ALA 71 N 8.48 1.53 0.00 3.66 0.00 -2.01 -2.36 119.26 128.56 2yr0 h ALA 71 Ca -0.25 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2yr0 h ALA 71 Cb 1.09 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2yr0 h ALA 71 CO 0.92 0.42 0.00 0.00 0.00 0.00 0.00 179.25 180.59 2yr0 n ALA 72 N -2.43 1.32 0.00 0.00 0.00 -1.26 -0.93 120.51 117.21 2yr0 n ALA 72 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 2yr0 n ALA 72 Cb 0.06 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.51 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 0.55 0.00 -0.08 0.00 4.77 -0.89 -1.95 117.00 119.40 2yr0 n LEU 74 Ca 0.00 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.87 2yr0 n LEU 74 Cb 0.05 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.10 2yr0 n LEU 74 CO 0.00 0.00 0.81 -0.08 -1.33 0.00 0.00 177.39 176.79 2yr0 h GLU 75 N 0.00 0.42 -0.48 3.23 4.81 -1.31 -0.54 114.58 120.71 2yr0 h GLU 75 Ca 0.00 -0.11 -0.02 0.00 -0.13 0.00 0.00 59.36 59.10 2yr0 h GLU 75 Cb 0.00 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 2yr0 h GLU 75 CO 0.00 0.54 0.22 0.28 -0.73 0.00 0.00 179.01 179.31 2yr0 h VAL 76 N 0.24 1.20 0.25 0.32 2.07 -1.67 -2.71 116.25 115.94 2yr0 h VAL 76 Ca 0.08 -0.57 0.01 0.00 0.82 0.00 0.00 66.70 67.03 2yr0 h VAL 76 Cb 0.31 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 30.73 2yr0 h VAL 76 CO 0.00 0.22 -0.44 0.15 0.02 0.00 0.00 177.57 177.52 2yr0 h PHE 77 N 0.63 -1.23 -1.10 1.57 3.57 -1.71 -1.17 116.94 117.50 2yr0 h PHE 77 Ca 0.16 0.02 0.30 0.00 3.53 0.00 0.00 57.97 61.99 2yr0 h PHE 77 Cb 0.14 0.51 -0.08 0.00 2.79 0.00 0.00 35.95 39.31 2yr0 h PHE 77 CO -0.00 -0.56 0.74 0.00 -2.23 0.00 0.00 178.31 176.25 2yr0 h ARG 78 N -0.76 0.23 -0.22 1.11 3.08 -0.96 0.25 114.38 117.11 2yr0 h ARG 78 Ca -0.01 -0.01 -0.19 0.00 0.07 0.00 0.00 59.98 59.84 2yr0 h ARG 78 Cb 0.73 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.74 2yr0 h ARG 78 CO -0.18 0.15 -0.60 1.96 -1.07 0.00 0.00 179.97 180.23 2yr0 h GLN 79 N 0.24 0.79 -0.34 0.04 1.08 -1.00 -3.18 115.11 112.74 2yr0 h GLN 79 Ca 0.60 -0.56 -0.07 0.00 -1.45 0.00 0.00 58.65 57.16 2yr0 h GLN 79 Cb 1.82 0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 29.32 2yr0 h GLN 79 CO -0.21 1.18 -0.09 0.87 -0.95 0.00 0.00 178.83 179.64 2yr0 h LYS 80 N 0.53 0.57 -0.53 1.46 1.79 0.62 -2.82 116.57 118.20 2yr0 h LYS 80 Ca -0.01 -0.16 0.00 0.00 -2.18 0.00 0.00 60.65 58.30 2yr0 h LYS 80 Cb 1.22 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.81 2yr0 h LYS 80 CO 0.13 0.66 0.00 0.44 -1.08 0.00 0.00 179.45 179.60 2yr0 n ILE 81 N -4.21 0.89 -1.69 1.86 -5.35 -0.76 -4.94 119.36 105.17 2yr0 n ILE 81 Ca 0.01 -0.65 -0.45 0.00 -0.27 0.00 0.00 62.75 61.40 2yr0 n ILE 81 Cb 0.31 0.09 -0.03 0.00 -1.74 0.00 0.00 39.64 38.27 2yr0 n ILE 81 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2yr0 n ALA 82 N 0.64 1.68 -0.63 -1.28 0.00 -1.07 -1.22 120.51 118.63 2yr0 n ALA 82 Ca 0.15 0.42 0.00 0.00 0.00 0.00 0.00 53.44 54.01 2yr0 n ALA 82 Cb 0.50 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.58 2yr0 n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2yr0 n GLY 83 N 3.00 1.07 0.67 0.00 0.00 -1.26 -4.79 105.19 103.89 2yr0 n GLY 83 Ca 0.14 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 0.01 1.61 0.24 -0.36 -4.91 118.33 112.92 2yr0 n VAL 84 Ca 0.00 -0.13 0.07 0.00 -2.04 0.00 0.00 64.34 62.24 2yr0 n VAL 84 Cb 0.00 0.39 0.26 0.00 -1.47 0.00 0.00 33.84 33.02 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 0.06 3.55 -0.36 -1.34 5.75 -0.86 -4.50 116.55 118.85 2yr0 n ASP 85 Ca -0.02 -2.30 0.06 0.00 -0.01 0.00 0.00 54.79 52.51 2yr0 n ASP 85 Cb 0.69 -0.48 0.22 0.00 -1.03 0.00 0.00 41.12 40.51 2yr0 n ASP 85 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 2yr0 h ARG 86 N 3.00 1.01 -0.56 0.11 3.08 -1.91 -2.16 114.38 116.94 2yr0 h ARG 86 Ca 0.00 -0.06 -0.14 0.00 0.07 0.00 0.00 59.98 59.85 2yr0 h ARG 86 Cb 1.10 -0.23 -0.08 0.00 0.08 0.00 0.00 29.97 30.84 2yr0 h ARG 86 CO 0.16 0.67 0.13 1.63 -1.07 0.00 0.00 179.97 181.49 2yr0 n LYS 87 N -4.59 3.46 -4.90 0.04 5.02 -1.26 -4.97 118.16 110.95 2yr0 n LYS 87 Ca 0.18 -3.06 -0.33 0.00 -2.02 0.00 0.00 58.31 53.08 2yr0 n LYS 87 Cb 0.30 -2.09 -0.15 0.00 -0.02 0.00 0.00 35.03 33.08 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 -2.96 2.84 -0.27 -0.18 1.01 -0.82 -1.22 120.40 118.81 2yr0 s VAL 88 Ca 0.51 -0.75 -0.04 0.00 0.00 0.00 0.00 61.98 61.70 2yr0 s VAL 88 Cb 0.41 -2.15 0.02 0.00 0.00 0.00 0.00 36.38 34.65 2yr0 s VAL 88 CO 0.11 0.55 -0.00 -1.58 0.00 0.00 0.00 175.10 174.18 2yr0 s GLN 89 N 0.09 2.95 -0.05 2.72 2.00 0.66 -4.98 119.66 123.05 2yr0 s GLN 89 Ca -0.07 -0.92 -0.21 0.00 -2.00 0.00 0.00 55.36 52.16 2yr0 s GLN 89 Cb -0.15 -3.15 -0.05 0.00 0.80 0.00 0.00 33.01 30.47 2yr0 s GLN 89 CO 0.05 -0.42 0.60 0.08 -0.50 0.00 0.00 175.29 175.10 2yr0 s VAL 90 N 1.40 5.03 -0.07 1.34 1.01 -1.26 -0.53 120.40 127.31 2yr0 s VAL 90 Ca 0.01 1.23 0.00 0.00 0.00 0.00 0.00 61.98 63.23 2yr0 s VAL 90 Cb -0.17 -3.94 0.02 0.00 0.00 0.00 0.00 36.38 32.30 2yr0 s VAL 90 CO -0.02 0.34 -0.05 -0.69 0.00 0.00 0.00 175.10 174.69 2yr0 s VAL 91 N 0.33 0.69 -0.37 2.92 1.01 0.94 -4.94 120.40 120.98 2yr0 s VAL 91 Ca 0.32 -0.14 -0.12 0.00 0.00 0.00 0.00 61.98 62.03 2yr0 s VAL 91 Cb -0.17 -0.73 0.01 0.00 0.00 0.00 0.00 36.38 35.49 2yr0 s VAL 91 CO 0.16 0.28 0.23 -1.58 0.00 0.00 0.00 175.10 174.20 2yr0 s GLN 92 N 1.34 3.03 0.09 2.72 0.74 -1.26 -1.31 119.66 125.00 2yr0 s GLN 92 Ca -0.04 -0.96 -0.27 0.00 0.05 0.00 0.00 55.36 54.15 2yr0 s GLN 92 Cb -0.14 -3.80 0.09 0.00 1.10 0.00 0.00 33.01 30.26 2yr0 s GLN 92 CO -0.03 -0.65 1.09 0.00 -0.55 0.00 0.00 175.29 175.16 2yr0 s ALA 93 N 1.62 -1.88 0.04 1.58 0.00 -0.86 -4.96 121.76 117.30 2yr0 s ALA 93 Ca 0.04 0.34 -0.17 0.00 0.00 0.00 0.00 51.96 52.17 2yr0 s ALA 93 Cb -0.19 0.53 -0.06 0.00 0.00 0.00 0.00 23.12 23.40 2yr0 s ALA 93 CO 0.08 -1.05 0.49 0.34 0.00 0.00 0.00 175.76 175.62 2yr0 s ASP 94 N -2.96 6.93 0.56 0.00 -1.08 -1.26 -3.23 116.67 115.62 2yr0 s ASP 94 Ca 0.13 1.11 0.37 0.00 -0.52 0.00 0.00 52.55 53.63 2yr0 s ASP 94 Cb 0.01 -2.30 1.78 0.00 -1.46 0.00 0.00 42.92 40.95 2yr0 s ASP 94 CO -0.00 0.29 2.10 0.00 0.52 0.00 0.00 175.17 178.08 2yr0 h ALA 95 N 4.58 1.00 0.00 3.66 0.00 -1.97 -0.99 119.26 125.54 2yr0 h ALA 95 Ca -0.51 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2yr0 h ALA 95 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2yr0 h ALA 95 CO 0.62 0.00 0.00 0.54 0.00 0.00 0.00 179.25 180.41 2yr0 n ARG 96 N -2.93 0.09 -3.05 0.00 1.74 -1.26 -4.10 116.66 107.15 2yr0 n ARG 96 Ca -0.01 0.24 -0.17 0.00 -0.77 0.00 0.00 57.85 57.13 2yr0 n ARG 96 Cb 0.17 -1.65 -0.03 0.00 -1.02 0.00 0.00 32.46 29.93 2yr0 n ARG 96 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2yr0 n ALA 97 N -1.62 0.82 -2.02 7.54 0.00 -0.38 -4.83 120.51 120.02 2yr0 n ALA 97 Ca 0.04 -2.42 -0.42 0.00 0.00 0.00 0.00 53.44 50.64 2yr0 n ALA 97 Cb 0.26 -1.05 -0.03 0.00 0.00 0.00 0.00 19.45 18.64 2yr0 n ALA 97 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2yr0 s ILE 98 N -0.08 3.03 -1.33 0.00 1.01 -1.23 -4.51 121.20 118.10 2yr0 s ILE 98 Ca 0.33 0.64 -0.08 0.00 0.00 0.00 0.00 60.65 61.54 2yr0 s ILE 98 Cb 0.13 -3.41 0.13 0.00 0.01 0.00 0.00 42.46 39.32 2yr0 s ILE 98 CO -0.16 0.03 2.14 -0.81 0.00 0.00 0.00 174.94 176.14 2yr0 n PRO 99 N 4.68 3.91 -4.10 2.79 -0.04 -1.26 -4.88 135.00 136.10 2yr0 n PRO 99 Ca 0.14 -3.36 -0.08 0.00 -0.04 0.00 0.00 63.50 60.15 2yr0 n PRO 99 Cb 0.41 -2.84 -0.10 0.00 -0.04 0.00 0.00 33.50 30.93 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 -0.66 2.48 0.71 1.53 1.43 -1.26 -5.16 118.68 117.76 2yr0 s LEU 100 Ca 0.47 -0.96 -0.11 0.00 -1.03 0.00 0.00 54.13 52.50 2yr0 s LEU 100 Cb 0.13 0.12 0.02 0.00 0.03 0.00 0.00 46.19 46.49 2yr0 s LEU 100 CO -0.04 -0.54 1.07 -2.84 0.23 0.00 0.00 176.35 174.23 2yr0 s PRO 101 N -3.70 2.77 0.61 1.29 0.02 -1.26 -4.98 135.00 129.76 2yr0 s PRO 101 Ca 0.07 1.01 -0.19 0.00 0.02 0.00 0.00 61.00 61.91 2yr0 s PRO 101 Cb 0.06 -1.97 -0.02 0.00 0.02 0.00 0.00 34.50 32.59 2yr0 s PRO 101 CO -0.08 -1.23 1.28 -0.51 -0.33 0.00 0.00 177.00 176.13 2yr0 s ASP 102 N -3.69 4.88 -1.17 2.53 1.01 -1.26 -3.53 116.67 115.44 2yr0 s ASP 102 Ca 0.59 2.58 -0.29 0.00 0.71 0.00 0.00 52.55 56.14 2yr0 s ASP 102 Cb -0.15 -2.62 0.02 0.00 1.01 0.00 0.00 42.92 41.19 2yr0 s ASP 102 CO 0.55 -1.81 0.73 -0.62 0.21 0.00 0.00 175.17 174.23 2yr0 n GLU 103 N -1.67 -0.65 -0.00 8.23 1.02 0.06 -4.92 120.64 122.72 2yr0 n GLU 103 Ca 0.14 0.24 0.02 0.00 -0.02 0.00 0.00 57.16 57.54 2yr0 n GLU 103 Cb 0.48 -3.16 -0.02 0.00 -0.02 0.00 0.00 31.44 28.72 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 -2.36 2.20 -4.29 1.62 3.41 0.33 -4.57 113.62 109.94 2yr0 n SER 104 Ca -0.11 -0.29 -0.18 0.00 -0.26 0.00 0.00 58.87 58.04 2yr0 n SER 104 Cb 0.58 1.08 -0.11 0.00 -0.26 0.00 0.00 64.21 65.49 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 -1.76 1.53 -0.15 -3.33 -7.23 -0.53 -4.92 120.40 104.00 2yr0 s VAL 105 Ca 0.00 -1.99 0.22 0.00 -1.81 0.00 0.00 61.98 58.40 2yr0 s VAL 105 Cb 0.02 -1.82 -0.15 0.00 0.56 0.00 0.00 36.38 35.00 2yr0 s VAL 105 CO 0.13 -0.52 0.78 1.41 -0.31 0.00 0.00 175.10 176.59 2yr0 n HIS 106 N 0.04 0.59 -3.76 2.82 -0.00 -0.73 -0.82 115.22 113.36 2yr0 n HIS 106 Ca -0.12 0.17 -0.13 0.00 -0.00 0.00 0.00 57.72 57.65 2yr0 n HIS 106 Cb 0.59 -0.81 -0.11 0.00 -0.00 0.00 0.00 29.99 29.66 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 -4.51 -0.24 -0.21 -1.41 0.00 -1.10 -1.18 107.32 98.68 2yr0 s GLY 107 Ca -0.04 0.86 0.02 0.00 0.00 0.00 0.00 44.72 45.55 2yr0 s GLY 107 CO 0.84 0.72 -0.16 0.14 0.00 0.00 0.00 173.10 174.64 2yr0 s VAL 108 N -0.01 2.04 -0.22 1.40 1.01 -0.68 -0.61 120.40 123.33 2yr0 s VAL 108 Ca -0.02 -1.18 -0.15 0.00 0.00 0.00 0.00 61.98 60.64 2yr0 s VAL 108 Cb -0.03 -1.98 -0.04 0.00 0.00 0.00 0.00 36.38 34.34 2yr0 s VAL 108 CO 0.01 0.30 0.36 -0.63 0.00 0.00 0.00 175.10 175.15 2yr0 s ILE 109 N 1.24 5.21 -0.22 2.22 1.01 0.84 -0.12 121.20 131.38 2yr0 s ILE 109 Ca -0.00 0.61 -0.01 0.00 0.00 0.00 0.00 60.65 61.25 2yr0 s ILE 109 Cb -0.16 -3.69 0.06 0.00 0.01 0.00 0.00 42.46 38.68 2yr0 s ILE 109 CO -0.10 0.24 -0.00 -0.69 0.00 0.00 0.00 174.94 174.39 2yr0 s VAL 110 N 1.46 1.05 -0.21 2.92 1.01 -0.45 -1.07 120.40 125.11 2yr0 s VAL 110 Ca 0.17 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 61.21 2yr0 s VAL 110 Cb -0.15 -1.45 0.05 0.00 0.00 0.00 0.00 36.38 34.83 2yr0 s VAL 110 CO 0.08 -0.18 -0.09 -0.69 0.00 0.00 0.00 175.10 174.22 2yr0 s VAL 111 N 1.61 1.62 -1.03 2.92 1.01 -1.26 -1.87 120.40 123.39 2yr0 s VAL 111 Ca -0.03 -1.09 -0.08 0.00 0.00 0.00 0.00 61.98 60.79 2yr0 s VAL 111 Cb -0.18 -1.75 -0.05 0.00 0.00 0.00 0.00 36.38 34.39 2yr0 s VAL 111 CO -0.08 0.08 0.88 1.41 0.00 0.00 0.00 175.10 177.39 2yr0 n HIS 112 N 4.67 -2.43 0.00 5.22 8.25 -1.23 -4.96 115.22 124.75 2yr0 n HIS 112 Ca -0.14 0.82 0.00 0.00 -0.26 0.00 0.00 57.72 58.14 2yr0 n HIS 112 Cb 0.46 -4.01 0.00 0.00 1.12 0.00 0.00 29.99 27.55 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 -3.24 1.96 -0.28 2.41 7.94 -1.26 -4.85 117.00 119.69 2yr0 n LEU 113 Ca -0.07 0.00 0.05 0.00 -1.11 0.00 0.00 56.01 54.88 2yr0 n LEU 113 Cb 0.61 0.00 0.19 0.00 0.53 0.00 0.00 43.42 44.74 2yr0 n LEU 113 CO 0.60 0.32 1.08 -0.50 -1.11 0.00 0.00 177.39 177.78 2yr0 h TRP 114 N 0.00 0.71 0.00 1.96 -0.00 -1.93 0.13 115.95 116.82 2yr0 h TRP 114 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 58.89 58.92 2yr0 h TRP 114 Cb 0.68 -0.20 0.00 0.00 -0.00 0.00 0.00 29.16 29.64 2yr0 h TRP 114 CO 0.00 0.20 0.00 -2.39 -0.00 0.00 0.00 178.44 176.25 2yr0 n HIS 115 N -4.87 0.00 0.52 0.49 1.44 -1.26 -0.44 115.22 111.10 2yr0 n HIS 115 Ca 0.15 0.00 0.06 0.00 -2.01 0.00 0.00 57.72 55.92 2yr0 n HIS 115 Cb 0.37 -0.28 0.02 0.00 0.12 0.00 0.00 29.99 30.22 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 -1.28 1.68 -3.74 2.39 4.77 0.42 -4.85 117.00 116.39 2yr0 n LEU 116 Ca 0.05 -0.88 -0.30 0.00 -0.03 0.00 0.00 56.01 54.85 2yr0 n LEU 116 Cb 0.09 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.03 2yr0 n LEU 116 CO 0.08 0.32 -0.30 -0.69 -1.33 0.00 0.00 177.39 175.47 2yr0 s VAL 117 N -1.28 1.12 0.33 4.08 1.01 0.42 -4.97 120.40 121.11 2yr0 s VAL 117 Ca 0.12 -1.84 0.06 0.00 0.00 0.00 0.00 61.98 60.32 2yr0 s VAL 117 Cb 0.10 -1.83 0.10 0.00 0.00 0.00 0.00 36.38 34.76 2yr0 s VAL 117 CO 0.23 -0.75 1.80 -0.65 0.00 0.00 0.00 175.10 175.73 2yr0 h PRO 118 N 7.60 0.35 -1.89 2.72 0.11 -1.89 -2.99 132.00 136.01 2yr0 h PRO 118 Ca -0.08 -0.11 -0.65 0.00 0.11 0.00 0.00 66.00 65.26 2yr0 h PRO 118 Cb 0.99 -0.03 -0.24 0.00 0.11 0.00 0.00 31.00 31.83 2yr0 h PRO 118 CO 0.47 0.55 0.80 -0.40 -0.21 0.00 0.00 178.00 179.22 2yr0 n ASP 119 N -4.17 7.16 0.27 -2.05 5.75 -1.26 -4.71 116.55 117.54 2yr0 n ASP 119 Ca -0.00 -3.59 0.12 0.00 -0.01 0.00 0.00 54.79 51.30 2yr0 n ASP 119 Cb 0.35 -1.11 0.76 0.00 -1.03 0.00 0.00 41.12 40.09 2yr0 n ASP 119 CO 0.00 0.00 0.00 4.11 -0.11 0.00 0.00 177.20 181.20 2yr0 h TRP 120 N 2.84 0.00 -1.01 2.11 5.08 -1.88 -3.09 115.95 120.01 2yr0 h TRP 120 Ca 0.50 0.00 0.15 0.00 1.08 0.00 0.00 58.89 60.62 2yr0 h TRP 120 Cb 0.36 0.00 -0.09 0.00 -3.00 0.00 0.00 29.16 26.43 2yr0 h TRP 120 CO 1.28 0.07 0.63 -1.35 -1.28 0.00 0.00 178.44 177.78 2yr0 h PRO 121 N 0.00 0.88 -0.01 0.12 0.11 -1.90 0.27 132.00 131.46 2yr0 h PRO 121 Ca -0.00 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 65.93 2yr0 h PRO 121 Cb 0.16 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.05 2yr0 h PRO 121 CO 0.01 0.58 -0.58 -0.22 -0.21 0.00 0.00 178.00 177.58 2yr0 h LYS 122 N 0.91 0.04 -0.04 1.05 1.63 -1.95 -0.46 116.57 117.75 2yr0 h LYS 122 Ca 0.53 -0.03 -0.14 0.00 -0.85 0.00 0.00 60.65 60.17 2yr0 h LYS 122 Cb 0.65 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.30 2yr0 h LYS 122 CO -0.31 0.62 -0.51 0.28 -3.45 0.00 0.00 179.45 176.07 2yr0 h VAL 123 N 0.03 1.41 -0.69 2.00 2.07 -1.31 -2.13 116.25 117.64 2yr0 h VAL 123 Ca -0.01 -1.94 0.07 0.00 0.82 0.00 0.00 66.70 65.65 2yr0 h VAL 123 Cb 1.04 2.44 -0.06 0.00 -1.52 0.00 0.00 31.29 33.19 2yr0 h VAL 123 CO 0.08 0.57 0.37 0.25 0.02 0.00 0.00 177.57 178.86 2yr0 h LEU 124 N -0.06 0.53 -1.42 2.57 5.85 -0.41 0.49 115.31 122.85 2yr0 h LEU 124 Ca -0.05 0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.67 2yr0 h LEU 124 Cb 1.20 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 42.16 2yr0 h LEU 124 CO 0.10 0.32 -0.01 0.00 -0.34 0.00 0.00 178.44 178.52 2yr0 h ALA 125 N 1.38 1.53 -0.13 1.25 0.00 -1.01 -2.05 119.26 120.24 2yr0 h ALA 125 Ca 0.32 -0.16 -0.21 0.00 0.00 0.00 0.00 54.91 54.87 2yr0 h ALA 125 Cb 0.26 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2yr0 h ALA 125 CO -0.22 0.34 -0.76 0.93 0.00 0.00 0.00 179.25 179.54 2yr0 h GLU 126 N 0.36 0.65 -0.77 0.00 4.39 -0.40 -2.24 114.58 116.57 2yr0 h GLU 126 Ca 0.08 -0.53 -0.04 0.00 0.34 0.00 0.00 59.36 59.21 2yr0 h GLU 126 Cb 0.25 0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.98 2yr0 h GLU 126 CO 0.01 1.15 0.32 0.00 -1.16 0.00 0.00 179.01 179.32 2yr0 h ALA 127 N 0.70 0.99 -0.02 3.43 0.00 -0.47 -2.38 119.26 121.52 2yr0 h ALA 127 Ca -0.04 -0.18 -0.16 0.00 0.00 0.00 0.00 54.91 54.52 2yr0 h ALA 127 Cb 1.37 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 2yr0 h ALA 127 CO 0.15 0.61 -0.73 0.82 0.00 0.00 0.00 179.25 180.10 2yr0 h ILE 128 N 1.10 1.47 -0.68 0.00 2.04 -1.41 -2.94 117.51 117.10 2yr0 h ILE 128 Ca 0.26 -2.36 -0.06 0.00 1.00 0.00 0.00 64.86 63.69 2yr0 h ILE 128 Cb 0.20 2.27 -0.03 0.00 -0.74 0.00 0.00 36.82 38.52 2yr0 h ILE 128 CO -0.02 0.68 0.18 -0.09 0.00 0.00 0.00 178.15 178.90 2yr0 h ARG 129 N 0.07 1.07 0.00 2.37 2.43 -1.00 -2.98 114.38 116.34 2yr0 h ARG 129 Ca -0.02 -0.24 0.00 0.00 -0.81 0.00 0.00 59.98 58.91 2yr0 h ARG 129 Cb 1.28 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.68 2yr0 h ARG 129 CO 0.10 0.93 -0.20 1.33 -1.51 0.00 0.00 179.97 180.63 2yr0 n VAL 130 N -4.24 0.33 -2.57 0.20 0.24 -0.93 -0.76 118.33 110.60 2yr0 n VAL 130 Ca 0.05 -0.18 -0.41 0.00 -2.04 0.00 0.00 64.34 61.76 2yr0 n VAL 130 Cb 0.25 -0.37 -0.04 0.00 -1.47 0.00 0.00 33.84 32.21 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 -3.93 4.47 0.73 1.34 1.43 -1.12 0.12 118.68 121.72 2yr0 s LEU 131 Ca 0.10 1.98 -0.11 0.00 -1.03 0.00 0.00 54.13 55.07 2yr0 s LEU 131 Cb 0.15 -3.59 0.03 0.00 0.03 0.00 0.00 46.19 42.80 2yr0 s LEU 131 CO 0.62 -0.22 1.08 -0.54 0.23 0.00 0.00 176.35 177.53 2yr0 s LYS 132 N 0.00 2.68 0.32 1.70 1.02 0.00 -4.12 119.74 121.34 2yr0 s LYS 132 Ca 0.50 0.65 -0.29 0.00 0.02 0.00 0.00 55.97 56.85 2yr0 s LYS 132 Cb -0.27 -1.98 -0.11 0.00 -0.52 0.00 0.00 37.83 34.94 2yr0 s LYS 132 CO 0.32 -1.21 1.51 -2.14 -0.92 0.00 0.00 175.35 172.91 2yr0 s PRO 133 N -5.21 4.16 0.00 -1.68 0.02 -1.26 0.58 135.00 131.62 2yr0 s PRO 133 Ca 0.59 2.50 0.00 0.00 0.02 0.00 0.00 61.00 64.11 2yr0 s PRO 133 Cb -0.13 -3.02 0.00 0.00 0.02 0.00 0.00 34.50 31.37 2yr0 s PRO 133 CO 0.53 -0.52 0.00 0.41 -0.33 0.00 0.00 177.00 177.09 2yr0 n GLY 134 N 1.42 1.02 3.77 0.52 0.00 -1.10 -4.99 105.19 105.83 2yr0 n GLY 134 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.69 2.67 -0.02 -0.02 0.00 0.20 -4.16 107.32 104.30 2yr0 s GLY 135 Ca 0.00 0.84 0.07 0.00 0.00 0.00 0.00 44.72 45.63 2yr0 s GLY 135 CO 0.00 1.23 -0.23 0.00 0.00 0.00 0.00 173.10 174.10 2yr0 s ALA 136 N -1.71 1.91 -0.18 3.20 0.00 -0.32 -1.21 121.76 123.44 2yr0 s ALA 136 Ca 0.70 -0.98 -0.17 0.00 0.00 0.00 0.00 51.96 51.51 2yr0 s ALA 136 Cb -0.25 -0.50 -0.04 0.00 0.00 0.00 0.00 23.12 22.33 2yr0 s ALA 136 CO 0.29 0.45 0.43 -1.17 0.00 0.00 0.00 175.76 175.76 2yr0 s LEU 137 N -0.47 4.19 -0.45 0.00 2.96 0.97 -1.68 118.68 124.21 2yr0 s LEU 137 Ca 0.07 0.62 -0.01 0.00 -0.22 0.00 0.00 54.13 54.59 2yr0 s LEU 137 Cb -0.09 -2.58 0.12 0.00 0.50 0.00 0.00 46.19 44.14 2yr0 s LEU 137 CO -0.00 -0.06 0.22 -0.76 -1.32 0.00 0.00 176.35 174.43 2yr0 s LEU 138 N 1.12 5.05 -0.18 -0.68 1.43 0.83 -1.53 118.68 124.72 2yr0 s LEU 138 Ca 0.21 -2.32 -0.11 0.00 -1.03 0.00 0.00 54.13 50.89 2yr0 s LEU 138 Cb -0.15 -1.77 -0.05 0.00 0.03 0.00 0.00 46.19 44.25 2yr0 s LEU 138 CO 0.08 -0.44 0.20 -1.61 0.23 0.00 0.00 176.35 174.81 2yr0 s GLU 139 N 0.72 4.17 0.04 1.70 2.02 -0.22 -1.34 118.70 125.79 2yr0 s GLU 139 Ca 0.11 -0.08 0.05 0.00 0.02 0.00 0.00 54.97 55.07 2yr0 s GLU 139 Cb -0.22 -3.41 -0.02 0.00 0.10 0.00 0.00 34.13 30.58 2yr0 s GLU 139 CO -0.04 0.31 -0.15 0.20 0.02 0.00 0.00 175.26 175.59 2yr0 s GLY 140 N 0.30 0.85 -0.04 -1.39 0.00 -0.78 -0.43 107.32 105.82 2yr0 s GLY 140 Ca 0.12 -0.88 -0.22 0.00 0.00 0.00 0.00 44.72 43.74 2yr0 s GLY 140 CO 0.01 -0.85 0.49 0.66 0.00 0.00 0.00 173.10 173.41 2yr0 s TRP 141 N -0.88 -0.42 0.40 1.90 -2.14 -0.92 -3.53 118.94 113.34 2yr0 s TRP 141 Ca 0.02 0.73 -0.16 0.00 2.66 0.00 0.00 56.10 59.36 2yr0 s TRP 141 Cb -0.08 0.24 -0.09 0.00 -3.10 0.00 0.00 33.47 30.44 2yr0 s TRP 141 CO 0.01 -0.48 0.83 -0.51 -2.66 0.00 0.00 176.95 174.15 2yr0 s ASP 142 N -1.15 6.74 -0.11 -2.66 1.01 -1.26 -1.35 116.67 117.89 2yr0 s ASP 142 Ca -0.11 1.40 -0.07 0.00 0.71 0.00 0.00 52.55 54.48 2yr0 s ASP 142 Cb -0.03 -2.43 0.04 0.00 1.01 0.00 0.00 42.92 41.52 2yr0 s ASP 142 CO 0.07 -0.34 0.28 -1.58 0.21 0.00 0.00 175.17 173.80 2yr0 s GLN 143 N -3.37 0.26 -0.02 8.23 0.74 -0.44 -4.94 119.66 120.11 2yr0 s GLN 143 Ca 0.56 0.54 0.04 0.00 0.05 0.00 0.00 55.36 56.56 2yr0 s GLN 143 Cb -0.10 -0.06 -0.01 0.00 1.10 0.00 0.00 33.01 33.95 2yr0 s GLN 143 CO 0.21 -0.14 -0.16 0.00 -0.55 0.00 0.00 175.29 174.66 2yr0 s ALA 144 N 1.08 1.34 0.49 1.58 0.00 -1.26 -1.08 121.76 123.91 2yr0 s ALA 144 Ca -0.08 -0.65 -0.23 0.00 0.00 0.00 0.00 51.96 51.00 2yr0 s ALA 144 Cb -0.08 -0.39 -0.07 0.00 0.00 0.00 0.00 23.12 22.58 2yr0 s ALA 144 CO -0.08 0.29 1.26 -1.21 0.00 0.00 0.00 175.76 176.02 2yr0 s GLU 145 N -0.18 3.54 0.37 0.00 2.02 -0.45 -4.92 118.70 119.08 2yr0 s GLU 145 Ca 0.02 2.00 -0.28 0.00 0.02 0.00 0.00 54.97 56.73 2yr0 s GLU 145 Cb -0.08 -2.39 -0.11 0.00 0.10 0.00 0.00 34.13 31.64 2yr0 s GLU 145 CO 0.00 -0.80 1.43 0.00 0.02 0.00 0.00 175.26 175.92 2yr0 n ALA 146 N -0.63 2.06 -3.71 5.21 0.00 -1.26 -4.63 120.51 117.56 2yr0 n ALA 146 Ca 0.08 0.35 -0.09 0.00 0.00 0.00 0.00 53.44 53.78 2yr0 n ALA 146 Cb 0.46 -2.37 -0.02 0.00 0.00 0.00 0.00 19.45 17.52 2yr0 n ALA 146 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2yr0 n SER 147 N 0.58 -0.93 0.11 0.00 3.41 -1.26 -4.98 113.62 110.55 2yr0 n SER 147 Ca 0.02 -2.29 0.15 0.00 -0.26 0.00 0.00 58.87 56.49 2yr0 n SER 147 Cb 0.38 1.73 0.66 0.00 -0.26 0.00 0.00 64.21 66.73 2yr0 n SER 147 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 2yr0 h PRO 148 N 0.00 0.01 -0.20 4.33 0.11 -1.94 -0.88 132.00 133.42 2yr0 h PRO 148 Ca -0.19 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.91 2yr0 h PRO 148 Cb 0.81 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.91 2yr0 h PRO 148 CO 0.25 0.01 0.06 1.49 -0.21 0.00 0.00 178.00 179.60 2yr0 h GLU 149 N 0.01 0.32 -0.84 1.05 4.81 -1.95 -2.11 114.58 115.87 2yr0 h GLU 149 Ca 0.14 -0.07 0.06 0.00 -0.13 0.00 0.00 59.36 59.36 2yr0 h GLU 149 Cb 0.56 -0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.84 2yr0 h GLU 149 CO -0.00 0.43 0.52 2.35 -0.73 0.00 0.00 179.01 181.58 2yr0 h TRP 150 N 0.15 0.97 -0.52 0.92 7.01 -1.55 -1.75 115.95 121.17 2yr0 h TRP 150 Ca 0.06 0.03 0.03 0.00 2.11 0.00 0.00 58.89 61.12 2yr0 h TRP 150 Cb 0.25 -0.31 -0.04 0.00 -2.10 0.00 0.00 29.16 26.96 2yr0 h TRP 150 CO 0.01 0.49 0.30 1.15 -2.79 0.00 0.00 178.44 177.59 2yr0 h THR 151 N 0.95 1.02 -0.71 2.65 2.02 -1.09 0.14 112.91 117.90 2yr0 h THR 151 Ca 0.37 -0.20 -0.05 0.00 0.77 0.00 0.00 66.41 67.30 2yr0 h THR 151 Cb 0.17 0.39 -0.03 0.00 -1.74 0.00 0.00 68.15 66.93 2yr0 h THR 151 CO -0.17 0.11 0.25 -0.07 0.37 0.00 0.00 175.52 176.01 2yr0 h LEU 152 N 0.58 0.99 -0.48 2.58 3.38 -0.70 0.67 115.31 122.34 2yr0 h LEU 152 Ca 0.22 -0.16 -0.09 0.00 0.09 0.00 0.00 57.88 57.93 2yr0 h LEU 152 Cb 0.06 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 2yr0 h LEU 152 CO -0.11 0.90 -0.06 1.56 0.09 0.00 0.00 178.44 180.82 2yr0 h GLN 153 N 1.04 0.89 -0.62 1.13 4.20 -0.70 -1.53 115.11 119.52 2yr0 h GLN 153 Ca 0.24 -0.31 -0.06 0.00 0.06 0.00 0.00 58.65 58.58 2yr0 h GLN 153 Cb 0.25 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.94 2yr0 h GLN 153 CO -0.01 0.96 0.17 1.49 -0.67 0.00 0.00 178.83 180.76 2yr0 h GLU 154 N 0.74 0.98 -0.25 1.46 4.57 -0.39 -1.89 114.58 119.80 2yr0 h GLU 154 Ca 0.13 -0.22 -0.03 0.00 -1.18 0.00 0.00 59.36 58.05 2yr0 h GLU 154 Cb 0.59 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 29.04 2yr0 h GLU 154 CO 0.04 0.88 0.01 -0.09 -1.18 0.00 0.00 179.01 178.66 2yr0 h ARG 155 N 0.90 0.36 -0.28 1.92 9.65 -0.70 0.99 114.38 127.21 2yr0 h ARG 155 Ca 0.20 -0.06 -0.04 0.00 -1.10 0.00 0.00 59.98 58.98 2yr0 h ARG 155 Cb 0.33 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 28.84 2yr0 h ARG 155 CO -0.00 0.39 0.02 2.35 2.80 0.00 0.00 179.97 185.53 2yr0 h TRP 156 N 0.36 0.52 -0.52 2.20 7.01 -0.78 -0.13 115.95 124.60 2yr0 h TRP 156 Ca 0.08 -0.08 0.03 0.00 2.11 0.00 0.00 58.89 61.03 2yr0 h TRP 156 Cb 0.23 -0.14 -0.04 0.00 -2.10 0.00 0.00 29.16 27.11 2yr0 h TRP 156 CO 0.01 0.61 0.30 0.00 -2.79 0.00 0.00 178.44 176.57 2yr0 h ARG 157 N 0.29 0.58 -0.30 2.65 3.08 -0.53 0.36 114.38 120.51 2yr0 h ARG 157 Ca 0.08 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.12 2yr0 h ARG 157 Cb 0.38 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 2yr0 h ARG 157 CO 0.01 0.39 0.15 0.00 -1.07 0.00 0.00 179.97 179.44 2yr0 h ALA 158 N 1.24 0.36 -0.52 0.04 0.00 -0.58 0.14 119.26 119.95 2yr0 h ALA 158 Ca 0.21 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 2yr0 h ALA 158 Cb 0.05 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2yr0 h ALA 158 CO -0.11 -0.23 0.27 0.74 0.00 0.00 0.00 179.25 179.92 2yr0 h PHE 159 N 0.31 0.72 -0.95 0.00 0.04 -0.46 0.17 116.94 116.77 2yr0 h PHE 159 Ca 0.12 -0.02 0.05 0.00 2.80 0.00 0.00 57.97 60.92 2yr0 h PHE 159 Cb 0.04 -0.23 -0.06 0.00 2.20 0.00 0.00 35.95 37.90 2yr0 h PHE 159 CO -0.10 0.54 0.62 0.00 -0.60 0.00 0.00 178.31 178.78 2yr0 h ALA 160 N 1.11 1.44 -0.48 2.45 0.00 0.22 -0.50 119.26 123.49 2yr0 h ALA 160 Ca 0.18 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 2yr0 h ALA 160 Cb 0.07 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 2yr0 h ALA 160 CO -0.03 0.44 -0.16 0.00 0.00 0.00 0.00 179.25 179.50 2yr0 h ALA 161 N 1.47 0.67 0.00 0.00 0.00 -0.15 0.64 119.26 121.88 2yr0 h ALA 161 Ca 0.40 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2yr0 h ALA 161 Cb 0.12 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 2yr0 h ALA 161 CO -0.14 0.61 -0.00 0.93 0.00 0.00 0.00 179.25 180.65 2yr0 h GLU 162 N 0.81 0.00 -0.08 0.00 5.08 0.85 -0.43 114.58 120.81 2yr0 h GLU 162 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2yr0 h GLU 162 Cb 0.73 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.98 2yr0 h GLU 162 CO 0.06 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 178.46 2yr0 n GLU 163 N -3.71 1.78 -0.56 2.33 -0.58 -0.51 -4.90 120.64 114.49 2yr0 n GLU 163 Ca -0.03 -1.14 0.00 0.00 -0.42 0.00 0.00 57.16 55.57 2yr0 n GLU 163 Cb 0.08 -1.45 0.00 0.00 -0.57 0.00 0.00 31.44 29.50 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 1.19 0.67 2.41 0.62 0.00 -0.17 -5.01 105.19 104.90 2yr0 n GLY 164 Ca 0.18 -0.60 -0.24 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.55 1.63 -2.14 1.61 3.72 0.16 -5.01 117.46 114.89 2yr0 n PHE 165 Ca 0.00 -3.86 -0.39 0.00 -0.05 0.00 0.00 57.45 53.15 2yr0 n PHE 165 Cb 0.01 -0.45 -0.01 0.00 -0.94 0.00 0.00 39.48 38.09 2yr0 n PHE 165 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2yr0 s PRO 166 N -2.33 3.96 0.20 -1.08 0.04 -1.25 -3.94 135.00 130.59 2yr0 s PRO 166 Ca 0.41 2.02 0.09 0.00 0.04 0.00 0.00 61.00 63.56 2yr0 s PRO 166 Cb 0.24 -2.69 -0.05 0.00 0.04 0.00 0.00 34.50 32.04 2yr0 s PRO 166 CO -0.09 -0.46 -0.17 0.14 0.04 0.00 0.00 177.00 176.47 2yr0 s VAL 167 N -1.33 1.87 0.54 -0.36 -7.23 -1.26 -4.97 120.40 107.65 2yr0 s VAL 167 Ca 0.58 -2.12 -0.18 0.00 -1.81 0.00 0.00 61.98 58.44 2yr0 s VAL 167 Cb -0.35 -2.00 -0.06 0.00 0.56 0.00 0.00 36.38 34.53 2yr0 s VAL 167 CO 0.44 -0.46 1.05 -0.70 -0.31 0.00 0.00 175.10 175.12 2yr0 s GLU 168 N -3.30 3.56 -0.08 4.82 2.12 -1.26 -5.06 118.70 119.50 2yr0 s GLU 168 Ca 0.21 1.28 -0.03 0.00 0.36 0.00 0.00 54.97 56.79 2yr0 s GLU 168 Cb -0.03 -2.06 -0.04 0.00 0.26 0.00 0.00 34.13 32.26 2yr0 s GLU 168 CO 0.08 -0.63 0.04 -0.98 -0.54 0.00 0.00 175.26 173.23 2yr0 s ARG 169 N -3.67 3.08 -1.65 4.30 1.70 -1.26 -4.65 118.95 116.79 2yr0 s ARG 169 Ca 0.65 -0.37 -0.16 0.00 -0.47 0.00 0.00 55.73 55.38 2yr0 s ARG 169 Cb -0.16 -2.88 0.13 0.00 -0.57 0.00 0.00 34.95 31.47 2yr0 s ARG 169 CO 0.29 0.71 0.81 0.41 -1.08 0.00 0.00 175.30 176.43 2yr0 n GLY 170 N 1.93 -0.44 0.27 3.88 0.00 -1.26 -4.88 105.19 104.69 2yr0 n GLY 170 Ca -0.18 0.15 -0.08 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.66 0.86 -0.32 0.99 7.12 -1.99 -1.75 115.31 118.56 2yr0 h LEU 171 Ca -0.59 -0.20 -0.01 0.00 0.13 0.00 0.00 57.88 57.21 2yr0 h LEU 171 Cb 1.38 -0.22 -0.01 0.00 -0.53 0.00 0.00 40.66 41.27 2yr0 h LEU 171 CO 0.75 0.83 0.17 -0.74 -0.13 0.00 0.00 178.44 179.31 2yr0 h HIS 172 N 0.84 0.44 -0.66 1.25 2.76 -1.91 -1.29 115.15 116.57 2yr0 h HIS 172 Ca 0.19 -0.01 0.06 0.00 -2.20 0.00 0.00 60.37 58.41 2yr0 h HIS 172 Cb 0.27 -0.14 -0.06 0.00 1.55 0.00 0.00 27.41 29.03 2yr0 h HIS 172 CO 0.02 0.36 0.36 0.00 -1.30 0.00 0.00 177.93 177.36 2yr0 h ALA 173 N 1.04 0.88 -0.13 5.26 0.00 -1.90 -0.32 119.26 124.09 2yr0 h ALA 173 Ca 0.11 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2yr0 h ALA 173 Cb 0.07 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2yr0 h ALA 173 CO -0.02 0.03 0.08 -0.22 0.00 0.00 0.00 179.25 179.12 2yr0 h LYS 174 N 0.66 0.17 -0.67 0.00 3.64 -0.91 -2.50 116.57 116.97 2yr0 h LYS 174 Ca 0.30 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.68 2yr0 h LYS 174 Cb 0.20 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.94 2yr0 h LYS 174 CO -0.19 0.14 0.44 0.00 -2.27 0.00 0.00 179.45 177.57 2yr0 h ARG 175 N 0.15 0.86 -0.93 1.90 2.47 -0.83 -2.26 114.38 115.74 2yr0 h ARG 175 Ca 0.05 -0.05 0.06 0.00 -1.26 0.00 0.00 59.98 58.78 2yr0 h ARG 175 Cb 0.01 -0.19 -0.06 0.00 -1.65 0.00 0.00 29.97 28.07 2yr0 h ARG 175 CO -0.01 0.57 0.59 -0.07 0.56 0.00 0.00 179.97 181.61 2yr0 h LEU 176 N 0.88 0.94 -0.71 3.04 3.38 -0.89 -1.51 115.31 120.45 2yr0 h LEU 176 Ca 0.25 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 58.13 2yr0 h LEU 176 Cb -0.08 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 2yr0 h LEU 176 CO -0.06 0.60 -0.11 0.11 0.09 0.00 0.00 178.44 179.07 2yr0 h LYS 177 N 1.08 0.88 -0.41 1.13 1.79 -0.98 -1.64 116.57 118.43 2yr0 h LYS 177 Ca 0.40 -0.31 -0.13 0.00 -2.18 0.00 0.00 60.65 58.44 2yr0 h LYS 177 Cb 0.17 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 30.74 2yr0 h LYS 177 CO -0.17 0.95 -0.27 0.93 -1.08 0.00 0.00 179.45 179.81 2yr0 h GLU 178 N 0.79 0.86 -0.59 3.15 5.08 -0.91 -2.58 114.58 120.38 2yr0 h GLU 178 Ca 0.13 -0.38 -0.10 0.00 -1.00 0.00 0.00 59.36 58.01 2yr0 h GLU 178 Cb 0.63 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 2yr0 h GLU 178 CO 0.04 1.02 -0.03 0.28 -1.00 0.00 0.00 179.01 179.33 2yr0 h VAL 179 N 0.74 1.27 -0.80 3.13 2.07 -1.15 -1.98 116.25 119.52 2yr0 h VAL 179 Ca 0.09 -1.18 0.01 0.00 0.82 0.00 0.00 66.70 66.44 2yr0 h VAL 179 Cb 0.82 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 31.40 2yr0 h VAL 179 CO 0.07 0.43 0.52 -0.08 0.02 0.00 0.00 177.57 178.53 2yr0 h GLU 180 N 0.95 1.03 -0.78 1.57 4.81 -1.19 0.16 114.58 121.12 2yr0 h GLU 180 Ca 0.16 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.28 2yr0 h GLU 180 Cb 0.59 -0.23 -0.03 0.00 0.63 0.00 0.00 28.75 29.70 2yr0 h GLU 180 CO 0.04 0.68 0.30 0.93 -0.73 0.00 0.00 179.01 180.22 2yr0 h GLU 181 N 1.06 1.18 -0.45 1.92 5.08 -1.22 -0.47 114.58 121.67 2yr0 h GLU 181 Ca 0.30 -0.22 -0.09 0.00 -1.00 0.00 0.00 59.36 58.34 2yr0 h GLU 181 Cb -0.09 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 28.96 2yr0 h GLU 181 CO -0.08 0.96 -0.08 0.00 -1.00 0.00 0.00 179.01 178.81 2yr0 h ALA 182 N 1.18 0.62 -0.79 3.43 0.00 -0.64 -1.71 119.26 121.35 2yr0 h ALA 182 Ca 0.26 -0.32 0.03 0.00 0.00 0.00 0.00 54.91 54.88 2yr0 h ALA 182 Cb 0.23 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 2yr0 h ALA 182 CO -0.02 0.49 0.51 -0.07 0.00 0.00 0.00 179.25 180.16 2yr0 h LEU 183 N 0.69 0.84 -0.26 0.00 3.38 -0.20 -0.12 115.31 119.65 2yr0 h LEU 183 Ca 0.12 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 2yr0 h LEU 183 Cb 0.62 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 2yr0 h LEU 183 CO 0.04 0.58 0.00 0.03 0.09 0.00 0.00 178.44 179.19 2yr0 h ARG 184 N 0.99 0.45 -0.34 1.13 3.08 -0.96 -1.06 114.38 117.67 2yr0 h ARG 184 Ca 0.31 -0.14 0.05 0.00 0.07 0.00 0.00 59.98 60.27 2yr0 h ARG 184 Cb -0.01 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 2yr0 h ARG 184 CO -0.11 0.62 0.23 -0.09 -1.07 0.00 0.00 179.97 179.55 2yr0 h ARG 185 N 0.23 0.24 -0.00 0.04 2.43 -0.86 -0.48 114.38 115.98 2yr0 h ARG 185 Ca 0.07 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 2yr0 h ARG 185 Cb 0.41 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 2yr0 h ARG 185 CO 0.01 0.16 -0.09 1.28 -1.51 0.00 0.00 179.97 179.82 2yr0 n LEU 186 N -4.48 0.52 0.00 3.80 4.77 -0.10 -4.93 117.00 116.58 2yr0 n LEU 186 Ca 0.04 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2yr0 n LEU 186 Cb 0.23 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 2yr0 n LEU 186 CO 0.35 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 2yr0 n GLY 187 N 1.24 0.51 0.67 -0.72 0.00 -0.19 -4.97 105.19 101.74 2yr0 n GLY 187 Ca 0.16 -0.76 0.12 0.00 0.00 0.00 0.00 46.02 45.54 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 2.04 -3.71 0.99 7.99 -0.44 -4.93 117.00 118.93 2yr0 n LEU 188 Ca 0.00 -0.78 -0.24 0.00 -0.01 0.00 0.00 56.01 54.98 2yr0 n LEU 188 Cb 0.00 -0.08 0.00 0.00 -0.11 0.00 0.00 43.42 43.24 2yr0 n LEU 188 CO 0.00 0.39 -0.24 0.29 -1.51 0.00 0.00 177.39 176.32 2yr0 n LYS 189 N 0.57 -1.46 -1.94 3.23 5.02 -1.26 -2.14 118.16 120.18 2yr0 n LYS 189 Ca 0.17 0.72 -0.41 0.00 -2.02 0.00 0.00 58.31 56.77 2yr0 n LYS 189 Cb 0.41 -2.06 -0.01 0.00 -0.02 0.00 0.00 35.03 33.35 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 -4.71 4.22 -0.08 1.97 0.04 -1.26 -4.64 135.00 130.54 2yr0 s PRO 190 Ca 0.01 2.41 0.01 0.00 0.04 0.00 0.00 61.00 63.48 2yr0 s PRO 190 Cb -0.00 -3.01 0.02 0.00 0.04 0.00 0.00 34.50 31.55 2yr0 s PRO 190 CO 0.84 -0.38 -0.09 1.03 0.04 0.00 0.00 177.00 178.44 2yr0 s ARG 191 N -1.96 1.48 -0.08 4.56 1.81 -0.78 -4.96 118.95 119.02 2yr0 s ARG 191 Ca 0.51 -0.30 0.01 0.00 -1.72 0.00 0.00 55.73 54.23 2yr0 s ARG 191 Cb -0.43 -1.36 -0.03 0.00 -0.45 0.00 0.00 34.95 32.68 2yr0 s ARG 191 CO 0.59 -0.09 -0.09 0.99 -0.68 0.00 0.00 175.30 176.01 2yr0 s THR 192 N 1.05 3.46 -0.02 0.02 2.01 -1.26 -1.20 115.64 119.70 2yr0 s THR 192 Ca -0.08 -0.56 -0.14 0.00 0.31 0.00 0.00 61.69 61.23 2yr0 s THR 192 Cb -0.14 -2.41 0.02 0.00 0.01 0.00 0.00 72.50 69.97 2yr0 s THR 192 CO -0.01 0.58 0.29 0.00 -0.69 0.00 0.00 174.62 174.79 2yr0 s ARG 193 N -0.53 0.62 -0.17 4.92 1.70 -0.62 -4.98 118.95 119.89 2yr0 s ARG 193 Ca 0.08 -0.15 -0.29 0.00 -0.47 0.00 0.00 55.73 54.89 2yr0 s ARG 193 Cb -0.12 0.27 -0.01 0.00 -0.57 0.00 0.00 34.95 34.53 2yr0 s ARG 193 CO 0.02 -0.16 1.11 -2.00 -1.08 0.00 0.00 175.30 173.19 2yr0 s GLU 194 N -1.18 4.30 -0.00 3.89 2.12 -1.26 -0.93 118.70 125.64 2yr0 s GLU 194 Ca -0.12 1.48 0.14 0.00 0.36 0.00 0.00 54.97 56.83 2yr0 s GLU 194 Cb -0.05 -3.64 -0.16 0.00 0.26 0.00 0.00 34.13 30.54 2yr0 s GLU 194 CO 0.04 -0.56 0.57 1.33 -0.54 0.00 0.00 175.26 176.10 2yr0 n VAL 195 N 5.09 0.00 -3.69 3.70 0.24 -0.28 -4.96 118.33 118.43 2yr0 n VAL 195 Ca 0.12 -0.18 -0.14 0.00 -2.04 0.00 0.00 64.34 62.09 2yr0 n VAL 195 Cb 0.46 0.91 -0.09 0.00 -1.47 0.00 0.00 33.84 33.65 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 -2.42 -1.19 -0.10 2.33 0.00 -1.18 -4.71 121.76 114.50 2yr0 s ALA 196 Ca 0.04 1.11 -0.04 0.00 0.00 0.00 0.00 51.96 53.07 2yr0 s ALA 196 Cb 0.11 -0.46 0.05 0.00 0.00 0.00 0.00 23.12 22.81 2yr0 s ALA 196 CO 0.59 -0.26 0.22 0.50 0.00 0.00 0.00 175.76 176.80 2yr0 s ARG 197 N -0.36 0.14 0.29 0.00 3.52 -1.26 -0.98 118.95 120.30 2yr0 s ARG 197 Ca -0.05 0.55 -0.08 0.00 -0.13 0.00 0.00 55.73 56.02 2yr0 s ARG 197 Cb -0.03 -0.14 0.00 0.00 -1.56 0.00 0.00 34.95 33.22 2yr0 s ARG 197 CO 0.03 -0.21 0.48 1.67 -0.81 0.00 0.00 175.30 176.46 2yr0 s TRP 198 N 1.67 0.66 -0.05 5.12 -2.14 -0.36 -5.00 118.94 118.85 2yr0 s TRP 198 Ca -0.05 -0.99 0.03 0.00 2.66 0.00 0.00 56.10 57.75 2yr0 s TRP 198 Cb -0.11 0.09 0.01 0.00 -3.10 0.00 0.00 33.47 30.35 2yr0 s TRP 198 CO -0.08 -1.07 -0.12 0.50 -2.66 0.00 0.00 176.95 173.52 2yr0 s ARG 199 N -3.52 1.48 0.44 3.25 3.52 -1.26 -0.70 118.95 122.15 2yr0 s ARG 199 Ca 0.26 -0.43 0.03 0.00 -0.13 0.00 0.00 55.73 55.46 2yr0 s ARG 199 Cb -0.00 -1.28 -0.03 0.00 -1.56 0.00 0.00 34.95 32.07 2yr0 s ARG 199 CO 0.14 0.11 0.06 -1.83 -0.81 0.00 0.00 175.30 172.97 2yr0 s GLU 200 N 0.36 1.99 -0.05 5.12 -1.05 -0.78 -4.97 118.70 119.32 2yr0 s GLU 200 Ca -0.08 -2.22 0.05 0.00 -0.15 0.00 0.00 54.97 52.56 2yr0 s GLU 200 Cb -0.12 -1.08 -0.00 0.00 -0.44 0.00 0.00 34.13 32.48 2yr0 s GLU 200 CO 0.02 -0.36 -0.19 -1.21 0.95 0.00 0.00 175.26 174.48 2yr0 s GLU 201 N -3.79 2.01 0.09 -4.83 2.02 -1.26 -0.97 118.70 111.96 2yr0 s GLU 201 Ca 0.20 -0.67 0.07 0.00 0.02 0.00 0.00 54.97 54.58 2yr0 s GLU 201 Cb 0.04 -1.71 -0.03 0.00 0.10 0.00 0.00 34.13 32.52 2yr0 s GLU 201 CO 0.11 0.25 -0.17 0.50 0.02 0.00 0.00 175.26 175.97 2yr0 s ARG 202 N 0.06 0.97 0.23 1.61 6.06 -0.14 -4.89 118.95 122.85 2yr0 s ARG 202 Ca -0.05 -1.06 0.07 0.00 -2.50 0.00 0.00 55.73 52.19 2yr0 s ARG 202 Cb -0.13 -1.09 -0.04 0.00 0.06 0.00 0.00 34.95 33.75 2yr0 s ARG 202 CO 0.03 0.25 0.12 0.95 -2.50 0.00 0.00 175.30 174.14 2yr0 s THR 203 N -1.26 4.14 0.44 4.11 -4.23 -1.26 -0.32 115.64 117.26 2yr0 s THR 203 Ca 0.02 -1.46 0.09 0.00 -1.18 0.00 0.00 61.69 59.17 2yr0 s THR 203 Cb -0.10 -3.19 0.26 0.00 1.34 0.00 0.00 72.50 70.81 2yr0 s THR 203 CO 0.03 -0.28 2.08 -0.65 -0.54 0.00 0.00 174.62 175.26 2yr0 h PRO 204 N 1.91 0.39 -0.55 3.99 0.11 -1.67 -1.89 132.00 134.29 2yr0 h PRO 204 Ca -0.47 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 2yr0 h PRO 204 Cb 1.23 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 2yr0 h PRO 204 CO 0.61 0.27 0.26 -0.09 -0.21 0.00 0.00 178.00 178.84 2yr0 h ARG 205 N 0.40 0.79 -0.45 1.05 2.43 -1.34 -0.01 114.38 117.26 2yr0 h ARG 205 Ca 0.11 -0.12 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 2yr0 h ARG 205 Cb -0.03 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.36 2yr0 h ARG 205 CO -0.02 0.65 0.25 0.93 -1.51 0.00 0.00 179.97 180.26 2yr0 h GLU 206 N 0.74 0.62 -0.62 0.20 5.08 -1.64 0.45 114.58 119.42 2yr0 h GLU 206 Ca 0.19 -0.07 -0.10 0.00 -1.00 0.00 0.00 59.36 58.38 2yr0 h GLU 206 Cb 0.12 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 2yr0 h GLU 206 CO -0.02 0.49 0.01 0.00 -1.00 0.00 0.00 179.01 178.48 2yr0 h ALA 207 N 1.10 0.84 -0.46 3.43 0.00 -1.07 -2.41 119.26 120.68 2yr0 h ALA 207 Ca 0.16 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 2yr0 h ALA 207 Cb 0.05 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2yr0 h ALA 207 CO -0.03 0.67 0.13 -0.07 0.00 0.00 0.00 179.25 179.96 2yr0 h LEU 208 N 0.99 0.68 -1.03 0.00 3.38 -0.74 -2.77 115.31 115.82 2yr0 h LEU 208 Ca 0.18 -0.22 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 2yr0 h LEU 208 Cb 0.56 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 2yr0 h LEU 208 CO 0.03 0.72 0.01 -0.33 0.09 0.00 0.00 178.44 178.96 2yr0 h GLU 209 N 0.61 0.70 -0.91 1.13 5.08 -0.80 0.13 114.58 120.52 2yr0 h GLU 209 Ca 0.15 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 2yr0 h GLU 209 Cb 0.29 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.40 2yr0 h GLU 209 CO -0.00 0.71 0.53 0.00 -1.00 0.00 0.00 179.01 179.25 2yr0 h ALA 210 N 1.35 1.22 -0.39 3.43 0.00 -1.30 0.32 119.26 123.89 2yr0 h ALA 210 Ca 0.14 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 2yr0 h ALA 210 Cb 0.39 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2yr0 h ALA 210 CO 0.01 0.65 -0.20 -0.07 0.00 0.00 0.00 179.25 179.65 2yr0 h LEU 211 N 1.27 0.85 -0.66 0.00 3.38 -1.09 -2.11 115.31 116.94 2yr0 h LEU 211 Ca 0.33 -0.41 0.05 0.00 0.09 0.00 0.00 57.88 57.94 2yr0 h LEU 211 Cb -0.03 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.43 2yr0 h LEU 211 CO -0.06 1.07 0.38 -1.28 0.09 0.00 0.00 178.44 178.64 2yr0 h SER 212 N 0.63 0.58 0.77 -0.43 0.87 -0.05 -1.15 113.55 114.76 2yr0 h SER 212 Ca 0.08 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 2yr0 h SER 212 Cb 0.76 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.63 2yr0 h SER 212 CO 0.06 0.38 0.00 -0.62 -0.53 0.00 0.00 176.83 176.12 2yr0 n GLU 213 N -4.77 0.09 -3.43 2.24 1.02 0.03 -4.91 120.64 110.92 2yr0 n GLU 213 Ca 0.08 0.26 -0.18 0.00 -0.02 0.00 0.00 57.16 57.30 2yr0 n GLU 213 Cb 0.15 -1.66 0.08 0.00 -0.02 0.00 0.00 31.44 30.00 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 -1.83 -6.79 0.20 3.49 1.74 -0.44 -4.91 116.66 108.12 2yr0 n ARG 214 Ca 0.04 0.81 0.04 0.00 -0.77 0.00 0.00 57.85 57.98 2yr0 n ARG 214 Cb 0.25 -5.76 0.41 0.00 -1.02 0.00 0.00 32.46 26.34 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 -2.07 0.00 -9.63 0.55 3.38 -1.64 -3.44 115.31 102.46 2yr0 h LEU 215 Ca -0.56 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 56.78 2yr0 h LEU 215 Cb 1.34 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.02 2yr0 h LEU 215 CO 0.50 0.33 -0.28 -0.31 0.09 0.00 0.00 178.44 178.77 2yr0 s TYR 216 N -4.15 3.67 0.34 1.13 2.02 -1.26 -4.99 117.35 114.11 2yr0 s TYR 216 Ca -0.03 0.84 0.10 0.00 -0.37 0.00 0.00 57.07 57.62 2yr0 s TYR 216 Cb 0.14 -2.21 0.87 0.00 -0.40 0.00 0.00 41.96 40.36 2yr0 s TYR 216 CO 0.70 0.63 1.79 0.66 -1.57 0.00 0.00 175.55 177.76 2yr0 h SER 217 N 4.97 0.66 0.31 2.29 4.64 -2.00 -0.29 113.55 124.13 2yr0 h SER 217 Ca -0.52 0.09 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 2yr0 h SER 217 Cb 1.22 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2yr0 h SER 217 CO 0.62 0.22 0.00 2.22 -0.87 0.00 0.00 176.83 179.02 2yr0 n PHE 218 N -4.71 0.42 0.93 4.77 -1.74 -1.26 -1.79 117.46 114.08 2yr0 n PHE 218 Ca 0.23 0.19 0.11 0.00 -0.56 0.00 0.00 57.45 57.42 2yr0 n PHE 218 Cb 0.65 -0.81 0.06 0.00 1.52 0.00 0.00 39.48 40.90 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 -1.91 0.00 0.43 1.97 -2.24 -0.12 -4.54 114.28 107.87 2yr0 n THR 219 Ca 0.01 -0.42 0.07 0.00 -2.27 0.00 0.00 64.05 61.44 2yr0 n THR 219 Cb 0.11 1.39 0.21 0.00 -2.10 0.00 0.00 70.33 69.94 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 0.79 2.26 -0.06 -0.78 6.02 -0.74 -4.41 117.38 120.45 2yr0 n GLN 220 Ca 0.11 -1.70 -0.22 0.00 -0.01 0.00 0.00 57.00 55.18 2yr0 n GLN 220 Cb 0.52 -1.45 -0.12 0.00 1.02 0.00 0.00 30.24 30.21 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 1.12 -0.73 3.49 1.08 0.00 -1.26 -5.00 105.19 103.89 2yr0 n GLY 221 Ca 0.16 -0.04 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 2yr0 n GLY 221 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2yr0 n LEU 222 N -4.07 0.36 -4.74 0.99 4.32 -1.26 -4.98 117.00 107.61 2yr0 n LEU 222 Ca -0.33 0.17 -0.40 0.00 -0.02 0.00 0.00 56.01 55.43 2yr0 n LEU 222 Cb 0.83 -1.27 -0.05 0.00 -1.62 0.00 0.00 43.42 41.30 2yr0 n LEU 222 CO 0.28 -2.97 0.56 -2.84 -1.22 0.00 0.00 177.39 171.20 2yr0 s PRO 223 N -4.14 4.61 0.36 3.23 0.02 -1.26 -4.87 135.00 132.95 2yr0 s PRO 223 Ca 0.63 1.27 0.17 0.00 0.02 0.00 0.00 61.00 63.09 2yr0 s PRO 223 Cb -0.21 -3.35 1.23 0.00 0.02 0.00 0.00 34.50 32.18 2yr0 s PRO 223 CO 0.63 0.30 1.59 1.49 -0.33 0.00 0.00 177.00 180.68 2yr0 h GLU 224 N 5.37 0.03 -0.79 5.54 4.57 -1.99 0.41 114.58 127.73 2yr0 h GLU 224 Ca -0.44 -0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 57.71 2yr0 h GLU 224 Cb 1.21 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 29.75 2yr0 h GLU 224 CO 0.70 0.02 0.38 -1.35 -1.18 0.00 0.00 179.01 177.59 2yr0 h PRO 225 N 0.03 1.12 -0.29 0.92 0.11 -1.99 0.38 132.00 132.28 2yr0 h PRO 225 Ca 0.80 -0.16 -0.10 0.00 0.11 0.00 0.00 66.00 66.65 2yr0 h PRO 225 Cb 2.03 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 32.92 2yr0 h PRO 225 CO -0.78 0.86 -0.21 0.28 -0.21 0.00 0.00 178.00 177.94 2yr0 h VAL 226 N 1.12 1.30 -0.27 3.15 2.07 -0.60 -2.18 116.25 120.85 2yr0 h VAL 226 Ca 0.27 -1.35 0.04 0.00 0.82 0.00 0.00 66.70 66.48 2yr0 h VAL 226 Cb 0.11 1.53 -0.04 0.00 -1.52 0.00 0.00 31.29 31.37 2yr0 h VAL 226 CO -0.04 0.43 0.03 -0.74 0.02 0.00 0.00 177.57 177.27 2yr0 h HIS 227 N 0.41 0.04 -0.79 1.57 6.17 -1.01 0.87 115.15 122.41 2yr0 h HIS 227 Ca 0.06 0.02 0.09 0.00 0.71 0.00 0.00 60.37 61.25 2yr0 h HIS 227 Cb 0.76 0.02 -0.07 0.00 2.52 0.00 0.00 27.41 30.64 2yr0 h HIS 227 CO 0.07 -0.01 0.43 0.00 0.71 0.00 0.00 177.93 179.13 2yr0 h ALA 228 N 1.21 1.11 -0.33 5.26 0.00 -0.77 -0.60 119.26 125.14 2yr0 h ALA 228 Ca 0.12 0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.96 2yr0 h ALA 228 Cb 0.15 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2yr0 h ALA 228 CO -0.19 0.05 -0.28 0.00 0.00 0.00 0.00 179.25 178.83 2yr0 h ARG 229 N 0.72 0.68 -1.26 0.00 3.08 -0.67 -1.47 114.38 115.46 2yr0 h ARG 229 Ca 0.38 -0.29 0.00 0.00 0.07 0.00 0.00 59.98 60.14 2yr0 h ARG 229 Cb 0.37 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.40 2yr0 h ARG 229 CO -0.26 0.88 0.00 0.28 -1.07 0.00 0.00 179.97 179.81 2yr0 n VAL 230 N -4.09 0.12 0.00 2.04 0.31 0.22 -2.23 118.33 114.70 2yr0 n VAL 230 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 2yr0 n VAL 230 Cb 0.46 -0.42 0.00 0.00 -0.91 0.00 0.00 33.84 32.96 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 0.74 0.00 -0.16 5.55 1.02 -0.56 -1.34 120.64 125.89 2yr0 n GLU 232 Ca 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.05 2yr0 n GLU 232 Cb 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.50 2yr0 n GLU 232 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2yr0 h ARG 233 N 0.00 0.72 -0.31 3.49 3.08 -1.73 -2.08 114.38 117.55 2yr0 h ARG 233 Ca 0.00 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 59.89 2yr0 h ARG 233 Cb 0.00 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 2yr0 h ARG 233 CO 0.00 0.68 0.17 1.25 -1.07 0.00 0.00 179.97 181.00 2yr0 h LEU 234 N 0.62 0.39 -0.78 3.04 5.85 -1.48 0.24 115.31 123.19 2yr0 h LEU 234 Ca 0.15 -0.09 0.05 0.00 0.84 0.00 0.00 57.88 58.83 2yr0 h LEU 234 Cb 0.25 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.13 2yr0 h LEU 234 CO -0.01 0.37 0.48 -0.50 -0.34 0.00 0.00 178.44 178.44 2yr0 h TRP 235 N 0.38 0.89 -0.33 1.25 4.06 -1.79 0.13 115.95 120.53 2yr0 h TRP 235 Ca 0.11 0.03 -0.02 0.00 2.06 0.00 0.00 58.89 61.06 2yr0 h TRP 235 Cb 0.07 -0.29 -0.01 0.00 -1.00 0.00 0.00 29.16 27.93 2yr0 h TRP 235 CO -0.03 0.47 0.12 0.00 -3.56 0.00 0.00 178.44 175.44 2yr0 h ALA 236 N 1.36 0.43 -0.75 1.49 0.00 -0.87 -1.85 119.26 119.07 2yr0 h ALA 236 Ca 0.33 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 2yr0 h ALA 236 Cb 0.11 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 2yr0 h ALA 236 CO -0.15 0.05 0.47 2.35 0.00 0.00 0.00 179.25 181.96 2yr0 h TRP 237 N 0.38 0.97 -0.51 0.00 7.01 0.07 -2.55 115.95 121.32 2yr0 h TRP 237 Ca 0.11 0.01 -0.04 0.00 2.11 0.00 0.00 58.89 61.07 2yr0 h TRP 237 Cb 0.21 -0.32 -0.02 0.00 -2.10 0.00 0.00 29.16 26.93 2yr0 h TRP 237 CO 0.00 0.64 0.16 0.00 -2.79 0.00 0.00 178.44 176.44 2yr0 h ALA 238 N 1.25 0.67 -0.60 2.65 0.00 -0.60 -0.91 119.26 121.71 2yr0 h ALA 238 Ca 0.27 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 2yr0 h ALA 238 Cb -0.06 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 2yr0 h ALA 238 CO -0.05 0.33 0.16 0.93 0.00 0.00 0.00 179.25 180.62 2yr0 h GLU 239 N 0.69 0.93 -0.21 0.00 5.08 -1.15 0.27 114.58 120.20 2yr0 h GLU 239 Ca 0.16 -0.19 -0.20 0.00 -1.00 0.00 0.00 59.36 58.13 2yr0 h GLU 239 Cb 0.28 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.40 2yr0 h GLU 239 CO -0.00 0.82 -0.67 0.00 -1.00 0.00 0.00 179.01 178.15 2yr0 h ALA 240 N 1.28 0.36 0.00 3.43 0.00 -1.28 -3.12 119.26 119.93 2yr0 h ALA 240 Ca 0.20 -0.56 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 2yr0 h ALA 240 Cb 0.30 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 2yr0 h ALA 240 CO -0.00 0.66 -1.34 0.39 0.00 0.00 0.00 179.25 178.96 2yr0 n GLU 241 N -3.99 0.62 -0.00 0.00 -0.58 -0.36 -4.58 120.64 111.76 2yr0 n GLU 241 Ca -0.06 0.02 0.05 0.00 -0.42 0.00 0.00 57.16 56.74 2yr0 n GLU 241 Cb 0.69 -1.73 -0.07 0.00 -0.57 0.00 0.00 31.44 29.77 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 -2.54 0.12 0.00 -4.62 4.77 0.95 -5.06 117.00 110.61 2yr0 n LEU 242 Ca -0.02 -0.13 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 2yr0 n LEU 242 Cb 0.56 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 2yr0 n LEU 242 CO 0.42 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 2yr0 n GLY 243 N 1.76 1.91 3.55 -0.72 0.00 -1.18 -4.70 105.19 105.80 2yr0 n GLY 243 Ca -0.01 -0.14 -0.39 0.00 0.00 0.00 0.00 46.02 45.48 2yr0 n GLY 243 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2yr0 s ASP 244 N -4.00 5.62 0.00 1.61 -1.08 -1.26 -4.83 116.67 112.72 2yr0 s ASP 244 Ca 0.00 0.04 0.10 0.00 -0.52 0.00 0.00 52.55 52.17 2yr0 s ASP 244 Cb 0.00 -2.54 0.48 0.00 -1.46 0.00 0.00 42.92 39.40 2yr0 s ASP 244 CO 0.00 -2.17 1.29 0.18 0.52 0.00 0.00 175.17 174.99 2yr0 n LEU 245 N 11.43 0.00 -0.85 -1.34 4.77 -1.26 -1.91 117.00 127.84 2yr0 n LEU 245 Ca 0.14 0.41 0.09 0.00 -0.03 0.00 0.00 56.01 56.62 2yr0 n LEU 245 Cb 0.51 -0.41 0.14 0.00 -2.33 0.00 0.00 43.42 41.32 2yr0 n LEU 245 CO 0.71 -0.27 0.60 0.47 -1.33 0.00 0.00 177.39 177.58 2yr0 n ASP 246 N -1.41 2.88 -4.69 -1.43 10.43 -1.26 -0.80 116.55 120.28 2yr0 n ASP 246 Ca 0.04 -1.85 -0.42 0.00 2.57 0.00 0.00 54.79 55.12 2yr0 n ASP 246 Cb 0.11 -0.13 -0.03 0.00 1.84 0.00 0.00 41.12 42.91 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 -1.38 4.41 0.44 -1.24 3.52 -0.80 -4.92 118.95 118.97 2yr0 s ARG 247 Ca 0.27 1.30 -0.21 0.00 -0.13 0.00 0.00 55.73 56.96 2yr0 s ARG 247 Cb 0.17 -3.54 -0.10 0.00 -1.56 0.00 0.00 34.95 29.92 2yr0 s ARG 247 CO 0.24 -0.29 0.98 -1.25 -0.81 0.00 0.00 175.30 174.18 2yr0 s PRO 248 N 1.93 4.12 0.11 5.12 0.04 -1.26 -4.13 135.00 140.93 2yr0 s PRO 248 Ca 0.46 1.23 0.05 0.00 0.04 0.00 0.00 61.00 62.78 2yr0 s PRO 248 Cb -0.18 -2.22 -0.04 0.00 0.04 0.00 0.00 34.50 32.10 2yr0 s PRO 248 CO 0.17 -0.14 -0.12 -0.59 0.04 0.00 0.00 177.00 176.37 2yr0 s PHE 249 N -2.05 1.22 0.47 0.56 -0.12 0.57 -4.90 117.98 113.73 2yr0 s PHE 249 Ca 0.63 -0.63 -0.19 0.00 -0.05 0.00 0.00 56.93 56.68 2yr0 s PHE 249 Cb -0.13 -0.65 -0.09 0.00 -0.63 0.00 0.00 43.02 41.52 2yr0 s PHE 249 CO 0.17 0.07 0.97 -1.25 -0.05 0.00 0.00 175.22 175.13 2yr0 s PRO 250 N -2.87 4.06 -0.18 1.99 0.04 -1.26 -0.96 135.00 135.82 2yr0 s PRO 250 Ca 0.08 1.10 -0.01 0.00 0.04 0.00 0.00 61.00 62.21 2yr0 s PRO 250 Cb -0.03 -2.15 0.05 0.00 0.04 0.00 0.00 34.50 32.41 2yr0 s PRO 250 CO 0.01 -0.18 -0.02 0.08 0.04 0.00 0.00 177.00 176.94 2yr0 s VAL 251 N -2.30 0.92 -0.22 -0.36 1.01 -0.14 -4.81 120.40 114.50 2yr0 s VAL 251 Ca 0.62 -0.64 -0.23 0.00 0.00 0.00 0.00 61.98 61.73 2yr0 s VAL 251 Cb -0.10 -1.22 -0.01 0.00 0.00 0.00 0.00 36.38 35.04 2yr0 s VAL 251 CO 0.20 -0.01 0.74 -0.70 0.00 0.00 0.00 175.10 175.33 2yr0 s GLU 252 N 1.70 4.19 0.23 2.72 2.56 -1.26 -1.87 118.70 126.97 2yr0 s GLU 252 Ca -0.01 0.79 0.08 0.00 0.00 0.00 0.00 54.97 55.83 2yr0 s GLU 252 Cb -0.16 -3.62 -0.05 0.00 2.00 0.00 0.00 34.13 32.30 2yr0 s GLU 252 CO -0.07 -0.40 -0.12 0.15 -0.56 0.00 0.00 175.26 174.26 2yr0 s LYS 253 N 2.44 1.42 0.11 4.30 1.02 0.12 -1.34 119.74 127.81 2yr0 s LYS 253 Ca 0.32 -1.66 -0.12 0.00 0.02 0.00 0.00 55.97 54.53 2yr0 s LYS 253 Cb -0.16 -1.16 0.02 0.00 -0.52 0.00 0.00 37.83 36.01 2yr0 s LYS 253 CO 0.09 0.15 0.29 -0.98 -0.92 0.00 0.00 175.35 173.98 2yr0 s ARG 254 N -3.66 0.96 -0.10 1.68 1.70 -0.24 -1.22 118.95 118.07 2yr0 s ARG 254 Ca 0.25 -0.84 0.02 0.00 -0.47 0.00 0.00 55.73 54.70 2yr0 s ARG 254 Cb 0.00 0.41 0.01 0.00 -0.57 0.00 0.00 34.95 34.80 2yr0 s ARG 254 CO 0.09 -0.34 -0.17 0.12 -1.08 0.00 0.00 175.30 173.92 2yr0 s PHE 255 N -3.83 2.00 0.04 5.89 5.36 -0.16 -1.33 117.98 125.95 2yr0 s PHE 255 Ca 0.04 -0.87 0.02 0.00 -0.96 0.00 0.00 56.93 55.16 2yr0 s PHE 255 Cb 0.03 -1.41 -0.04 0.00 -0.34 0.00 0.00 43.02 41.26 2yr0 s PHE 255 CO -0.11 -0.41 0.06 -0.51 -1.46 0.00 0.00 175.22 172.78 2yr0 s LEU 256 N 0.73 3.74 -0.10 6.12 2.01 -0.45 -1.12 118.68 129.60 2yr0 s LEU 256 Ca -0.12 0.02 0.01 0.00 0.01 0.00 0.00 54.13 54.05 2yr0 s LEU 256 Cb -0.16 -2.30 0.02 0.00 0.01 0.00 0.00 46.19 43.76 2yr0 s LEU 256 CO 0.02 0.22 -0.11 -0.22 1.01 0.00 0.00 176.35 177.28 2yr0 s LEU 257 N -2.02 1.44 -0.23 1.79 2.96 -0.11 -2.17 118.68 120.35 2yr0 s LEU 257 Ca 0.25 -0.34 -0.04 0.00 -0.22 0.00 0.00 54.13 53.78 2yr0 s LEU 257 Cb -0.12 -0.90 -0.00 0.00 0.50 0.00 0.00 46.19 45.66 2yr0 s LEU 257 CO 0.17 -0.05 -0.03 -0.60 -1.32 0.00 0.00 176.35 174.51 2yr0 s ARG 258 N 1.28 3.28 -0.18 1.98 3.52 0.42 -1.58 118.95 127.68 2yr0 s ARG 258 Ca -0.02 -0.69 -0.03 0.00 -0.13 0.00 0.00 55.73 54.86 2yr0 s ARG 258 Cb -0.14 -3.04 -0.02 0.00 -1.56 0.00 0.00 34.95 30.20 2yr0 s ARG 258 CO -0.04 -0.25 -0.06 0.08 -0.81 0.00 0.00 175.30 174.22 2yr0 s VAL 259 N 1.46 3.47 -0.07 7.11 1.01 -0.34 -1.05 120.40 131.98 2yr0 s VAL 259 Ca 0.05 -0.49 0.04 0.00 0.00 0.00 0.00 61.98 61.58 2yr0 s VAL 259 Cb -0.15 -2.53 -0.00 0.00 0.00 0.00 0.00 36.38 33.70 2yr0 s VAL 259 CO -0.03 0.47 -0.21 -0.44 0.00 0.00 0.00 175.10 174.89 2yr0 s SER 260 N 0.83 2.72 -0.05 3.32 0.01 -0.58 -1.87 113.70 118.08 2yr0 s SER 260 Ca -0.02 -0.47 0.06 0.00 1.31 0.00 0.00 55.95 56.83 2yr0 s SER 260 Cb -0.15 -1.03 -0.02 0.00 0.21 0.00 0.00 66.02 65.03 2yr0 s SER 260 CO 0.01 0.16 -0.24 -0.60 0.41 0.00 0.00 173.24 172.99 2yr0 s ARG 261 N 0.21 2.46 0.00 12.44 3.52 -0.91 -0.02 118.95 136.66 2yr0 s ARG 261 Ca -0.12 -0.88 0.23 0.00 -0.13 0.00 0.00 55.73 54.83 2yr0 s ARG 261 Cb -0.15 -2.17 1.36 0.00 -1.56 0.00 0.00 34.95 32.42 2yr0 s ARG 261 CO 0.06 0.45 1.73 1.28 -0.81 0.00 0.00 175.30 178.01