#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2owd s GLU 2 N 0.00 3.83 -0.03 2.12 2.12 -1.26 -1.47 118.70 124.02 2owd s GLU 2 Ca 0.00 1.76 0.07 0.00 0.36 0.00 0.00 54.97 57.16 2owd s GLU 2 Cb 0.00 -4.04 -0.01 0.00 0.26 0.00 0.00 34.13 30.34 2owd s GLU 2 CO 0.00 -1.25 -0.23 -0.51 -0.54 0.00 0.00 175.26 172.73 2owd s LEU 3 N 5.12 2.04 -0.28 2.70 1.43 0.01 -3.13 118.68 126.57 2owd s LEU 3 Ca 0.73 -0.43 -0.05 0.00 -1.03 0.00 0.00 54.13 53.34 2owd s LEU 3 Cb -0.27 -1.21 0.01 0.00 0.03 0.00 0.00 46.19 44.76 2owd s LEU 3 CO 0.29 0.26 0.04 0.26 0.23 0.00 0.00 176.35 177.43 2owd s TRP 4 N -0.40 3.13 -0.20 0.29 0.52 -0.41 -0.79 118.94 121.08 2owd s TRP 4 Ca 0.05 -1.16 -0.10 0.00 0.02 0.00 0.00 56.10 54.92 2owd s TRP 4 Cb -0.10 -2.19 -0.05 0.00 -1.15 0.00 0.00 33.47 29.98 2owd s TRP 4 CO 0.00 -0.62 0.12 -0.51 0.02 0.00 0.00 176.95 175.96 2owd s LEU 5 N 1.44 4.13 -0.12 2.99 1.02 0.10 0.68 118.68 128.92 2owd s LEU 5 Ca 0.02 0.20 0.02 0.00 0.02 0.00 0.00 54.13 54.38 2owd s LEU 5 Cb -0.17 -2.07 -0.00 0.00 0.02 0.00 0.00 46.19 43.97 2owd s LEU 5 CO 0.00 0.17 -0.19 -0.69 0.02 0.00 0.00 176.35 175.67 2owd s VAL 6 N 0.40 2.48 -0.16 -1.59 1.01 0.58 -0.65 120.40 122.46 2owd s VAL 6 Ca 0.07 -0.86 -0.21 0.00 0.00 0.00 0.00 61.98 60.98 2owd s VAL 6 Cb -0.11 -2.00 -0.03 0.00 0.00 0.00 0.00 36.38 34.23 2owd s VAL 6 CO -0.01 0.54 0.62 -0.60 0.00 0.00 0.00 175.10 175.65 2owd s ARG 7 N 0.50 4.28 0.98 2.72 3.52 -0.49 -0.51 118.95 129.95 2owd s ARG 7 Ca -0.12 0.65 -0.12 0.00 -0.13 0.00 0.00 55.73 56.01 2owd s ARG 7 Cb -0.17 -3.53 0.12 0.00 -1.56 0.00 0.00 34.95 29.82 2owd s ARG 7 CO 0.05 -0.11 0.77 -2.39 -0.81 0.00 0.00 175.30 172.81 2owd n HIS 8 N 4.55 -0.42 -0.81 5.12 1.44 -0.84 -0.25 115.22 124.01 2owd n HIS 8 Ca -0.02 0.25 -0.29 0.00 -2.01 0.00 0.00 57.72 55.65 2owd n HIS 8 Cb 0.50 -1.85 0.21 0.00 0.12 0.00 0.00 29.99 28.98 2owd n HIS 8 CO 0.00 0.00 0.00 0.20 -2.81 0.00 0.00 176.34 173.73 2owd s GLY 9 N -2.32 1.57 0.59 -1.39 0.00 -1.26 -1.70 107.32 102.81 2owd s GLY 9 Ca 0.63 -0.15 -0.17 0.00 0.00 0.00 0.00 44.72 45.02 2owd s GLY 9 CO 0.63 0.50 1.12 -1.83 0.00 0.00 0.00 173.10 173.52 2owd s GLU 10 N -4.67 3.11 0.45 2.90 -1.05 -1.26 -4.77 118.70 113.41 2owd s GLU 10 Ca 0.67 1.51 0.03 0.00 -0.15 0.00 0.00 54.97 57.04 2owd s GLU 10 Cb -0.22 -1.98 -0.04 0.00 -0.44 0.00 0.00 34.13 31.45 2owd s GLU 10 CO 0.61 -1.02 0.02 0.95 0.95 0.00 0.00 175.26 176.77 2owd s THR 11 N -2.02 1.36 0.33 1.83 -4.23 -1.26 -1.84 115.64 109.80 2owd s THR 11 Ca 0.70 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 59.22 2owd s THR 11 Cb -0.22 -2.50 0.27 0.00 1.34 0.00 0.00 72.50 71.39 2owd s THR 11 CO 0.33 0.00 1.99 -0.07 -0.54 0.00 0.00 174.62 176.34 2owd h LEU 12 N 1.60 0.80 -0.54 4.79 3.38 -1.93 -2.23 115.31 121.17 2owd h LEU 12 Ca -0.43 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.52 2owd h LEU 12 Cb 1.28 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.84 2owd h LEU 12 CO 0.74 0.57 0.00 0.79 0.09 0.00 0.00 178.44 180.63 2owd n TRP 13 N -4.43 0.48 -0.04 1.13 7.02 -1.26 -1.82 117.44 118.52 2owd n TRP 13 Ca 0.08 0.20 -0.14 0.00 -1.02 0.00 0.00 57.50 56.62 2owd n TRP 13 Cb 0.05 -0.83 -0.08 0.00 -2.42 0.00 0.00 31.31 28.03 2owd n TRP 13 CO 0.00 0.00 0.00 -0.97 -2.02 0.00 0.00 177.69 174.70 2owd h ASN 14 N 0.00 0.39 0.71 -0.99 -0.00 -1.68 -0.50 115.58 113.52 2owd h ASN 14 Ca 0.00 -0.58 -0.16 0.00 -0.00 0.00 0.00 56.30 55.56 2owd h ASN 14 Cb 0.24 -0.11 -0.02 0.00 -0.00 0.00 0.00 38.32 38.42 2owd h ASN 14 CO 0.00 0.90 -0.74 0.08 -0.00 0.00 0.00 177.43 177.67 2owd h ARG 15 N -0.10 0.02 -0.00 6.67 0.11 -1.59 -3.02 114.38 116.47 2owd h ARG 15 Ca -0.00 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.06 2owd h ARG 15 Cb 0.85 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.93 2owd h ARG 15 CO 0.05 0.75 -0.03 0.39 0.10 0.00 0.00 179.97 181.23 2owd n GLU 16 N -3.67 0.26 -3.39 0.08 1.02 -0.75 -4.94 120.64 109.25 2owd n GLU 16 Ca -0.01 -0.02 -0.18 0.00 -0.02 0.00 0.00 57.16 56.93 2owd n GLU 16 Cb 0.72 -1.50 0.08 0.00 -0.02 0.00 0.00 31.44 30.71 2owd n GLU 16 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2owd n GLY 17 N 1.38 -0.34 3.59 0.62 0.00 -0.33 -4.86 105.19 105.25 2owd n GLY 17 Ca 0.11 0.10 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 2owd n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2owd s ARG 18 N -5.72 2.44 0.02 1.61 0.52 -0.43 -0.78 118.95 116.61 2owd s ARG 18 Ca 0.28 -0.80 -0.30 0.00 -0.52 0.00 0.00 55.73 54.38 2owd s ARG 18 Cb -0.12 -2.45 -0.07 0.00 0.52 0.00 0.00 34.95 32.84 2owd s ARG 18 CO 0.65 0.58 1.53 -0.51 0.02 0.00 0.00 175.30 177.57 2owd s LEU 19 N -1.63 4.33 -0.25 2.53 1.43 0.23 -4.71 118.68 120.61 2owd s LEU 19 Ca 0.18 2.27 0.02 0.00 -1.03 0.00 0.00 54.13 55.58 2owd s LEU 19 Cb -0.11 -3.56 0.06 0.00 0.03 0.00 0.00 46.19 42.61 2owd s LEU 19 CO 0.09 -0.81 -0.10 -0.22 0.23 0.00 0.00 176.35 175.54 2owd s LEU 20 N 2.69 3.20 0.00 1.79 2.96 -1.26 0.04 118.68 128.10 2owd s LEU 20 Ca 0.69 -1.31 0.00 0.00 -0.22 0.00 0.00 54.13 53.29 2owd s LEU 20 Cb -0.35 -1.47 0.00 0.00 0.50 0.00 0.00 46.19 44.87 2owd s LEU 20 CO 0.29 -0.19 0.00 0.61 -1.32 0.00 0.00 176.35 175.74 2owd n GLY 21 N 4.49 0.76 0.38 7.98 0.00 -1.26 -4.91 105.19 112.63 2owd n GLY 21 Ca -0.14 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.02 2owd n GLY 21 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2owd n TRP 22 N 0.00 0.02 -2.10 1.61 7.02 -1.26 -4.67 117.44 118.05 2owd n TRP 22 Ca 0.00 -0.01 -0.42 0.00 -1.02 0.00 0.00 57.50 56.05 2owd n TRP 22 Cb 0.00 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 28.86 2owd n TRP 22 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 2owd s THR 23 N -1.98 3.57 -1.10 -0.99 2.01 -1.26 -4.91 115.64 110.98 2owd s THR 23 Ca 0.39 0.87 -0.18 0.00 0.31 0.00 0.00 61.69 63.08 2owd s THR 23 Cb 0.21 -3.56 0.11 0.00 0.01 0.00 0.00 72.50 69.27 2owd s THR 23 CO 0.33 -0.03 1.41 -0.62 -0.69 0.00 0.00 174.62 175.02 2owd s ASP 24 N 2.49 6.76 0.16 3.53 2.15 -1.26 -4.99 116.67 125.50 2owd s ASP 24 Ca 0.68 -2.24 0.02 0.00 0.43 0.00 0.00 52.55 51.45 2owd s ASP 24 Cb -0.33 -2.48 -0.04 0.00 -0.30 0.00 0.00 42.92 39.78 2owd s ASP 24 CO 0.28 -1.11 0.30 -0.76 -0.17 0.00 0.00 175.17 173.71 2owd s LEU 25 N 3.25 4.33 0.46 -1.34 1.43 -1.26 -4.96 118.68 120.59 2owd s LEU 25 Ca 0.43 0.19 -0.03 0.00 -1.03 0.00 0.00 54.13 53.69 2owd s LEU 25 Cb -0.01 -2.94 -0.02 0.00 0.03 0.00 0.00 46.19 43.25 2owd s LEU 25 CO -0.03 0.04 0.73 -2.16 0.23 0.00 0.00 176.35 175.15 2owd s PRO 26 N -3.26 3.35 0.71 1.29 0.04 -1.26 -3.80 135.00 132.07 2owd s PRO 26 Ca 0.35 -0.08 -0.13 0.00 0.04 0.00 0.00 61.00 61.18 2owd s PRO 26 Cb -0.11 -2.46 0.03 0.00 0.04 0.00 0.00 34.50 32.00 2owd s PRO 26 CO 0.29 -0.21 1.10 -0.51 0.04 0.00 0.00 177.00 177.71 2owd s LEU 27 N -4.65 3.22 0.70 -3.56 1.43 -1.26 -4.44 118.68 110.12 2owd s LEU 27 Ca 0.47 1.92 0.01 0.00 -1.03 0.00 0.00 54.13 55.50 2owd s LEU 27 Cb -0.10 -4.54 0.12 0.00 0.03 0.00 0.00 46.19 41.71 2owd s LEU 27 CO 0.42 -1.83 0.96 0.42 0.23 0.00 0.00 176.35 176.55 2owd s THR 28 N -2.61 2.11 0.15 5.49 -4.23 -0.77 -4.87 115.64 110.92 2owd s THR 28 Ca 0.64 -0.67 -0.16 0.00 -1.18 0.00 0.00 61.69 60.32 2owd s THR 28 Cb -0.19 -2.44 0.02 0.00 1.34 0.00 0.00 72.50 71.23 2owd s THR 28 CO 0.48 0.00 1.78 0.00 -0.54 0.00 0.00 174.62 176.34 2owd h ALA 29 N -0.42 0.46 -0.15 3.99 0.00 -1.96 -0.65 119.26 120.53 2owd h ALA 29 Ca -0.35 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.52 2owd h ALA 29 Cb 1.27 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 2owd h ALA 29 CO 0.40 -0.18 -0.14 1.49 0.00 0.00 0.00 179.25 180.82 2owd h GLU 30 N 0.38 0.24 -0.63 0.00 4.57 -1.94 -1.11 114.58 116.10 2owd h GLU 30 Ca 0.16 -0.06 -0.07 0.00 -1.18 0.00 0.00 59.36 58.21 2owd h GLU 30 Cb 0.07 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.60 2owd h GLU 30 CO -0.11 0.39 0.11 0.78 -1.18 0.00 0.00 179.01 179.00 2owd h GLY 31 N 0.76 1.09 1.59 1.92 0.00 -1.36 0.72 103.07 107.80 2owd h GLY 31 Ca 0.05 -0.69 -0.16 0.00 0.00 0.00 0.00 47.33 46.53 2owd h GLY 31 CO 0.02 0.64 -0.58 0.83 0.00 0.00 0.00 176.54 177.45 2owd h GLU 32 N 0.95 0.42 -0.35 4.80 5.08 -0.59 -2.43 114.58 122.47 2owd h GLU 32 Ca 0.19 -0.28 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 2owd h GLU 32 Cb 0.40 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 2owd h GLU 32 CO 0.01 0.89 0.16 0.00 -1.00 0.00 0.00 179.01 179.07 2owd h ALA 33 N 1.05 0.46 -0.92 3.43 0.00 -0.62 -1.24 119.26 121.41 2owd h ALA 33 Ca -0.00 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.81 2owd h ALA 33 Cb 1.11 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.72 2owd h ALA 33 CO 0.10 0.03 0.61 1.96 0.00 0.00 0.00 179.25 181.96 2owd h GLN 34 N 0.43 1.19 -0.43 0.00 4.20 -0.78 -2.55 115.11 117.17 2owd h GLN 34 Ca 0.12 -0.07 -0.07 0.00 0.06 0.00 0.00 58.65 58.69 2owd h GLN 34 Cb 0.14 -0.27 -0.02 0.00 0.30 0.00 0.00 27.48 27.64 2owd h GLN 34 CO -0.01 0.79 -0.02 0.00 -0.67 0.00 0.00 178.83 178.92 2owd h ALA 35 N 1.43 0.58 -0.28 3.87 0.00 -0.97 -2.95 119.26 120.94 2owd h ALA 35 Ca 0.35 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2owd h ALA 35 Cb -0.10 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 2owd h ALA 35 CO -0.09 0.39 -0.01 0.00 0.00 0.00 0.00 179.25 179.55 2owd h ARG 36 N 0.61 0.43 0.00 0.00 3.08 -0.92 -1.75 114.38 115.83 2owd h ARG 36 Ca 0.12 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.09 2owd h ARG 36 Cb 0.51 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.50 2owd h ARG 36 CO 0.03 0.46 0.00 0.00 -1.07 0.00 0.00 179.97 179.39 2owd h ARG 37 N 0.41 0.00 0.00 0.04 3.08 -1.29 -2.35 114.38 114.28 2owd h ARG 37 Ca 0.09 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.03 2owd h ARG 37 Cb 0.29 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 2owd h ARG 37 CO 0.01 0.00 -0.52 -0.07 -1.07 0.00 0.00 179.97 178.32 2owd h LEU 38 N 0.00 0.00 -9.71 3.04 3.38 -1.33 -3.42 115.31 107.27 2owd h LEU 38 Ca 0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.45 2owd h LEU 38 Cb 0.20 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.02 2owd h LEU 38 CO 0.00 0.52 0.98 -0.75 0.09 0.00 0.00 178.44 179.28 2owd s LYS 39 N -3.08 4.12 0.00 1.13 2.20 -0.89 -0.88 119.74 122.33 2owd s LYS 39 Ca 0.03 2.61 0.00 0.00 -0.36 0.00 0.00 55.97 58.25 2owd s LYS 39 Cb 0.09 -3.05 0.00 0.00 -1.51 0.00 0.00 37.83 33.35 2owd s LYS 39 CO 0.74 -0.72 0.00 0.41 -0.36 0.00 0.00 175.35 175.41 2owd n GLY 40 N 3.36 2.39 0.01 5.54 0.00 -1.26 -4.79 105.19 110.44 2owd n GLY 40 Ca 0.13 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.23 2owd n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2owd n ALA 41 N -0.40 4.19 -2.59 4.61 0.00 -0.06 -4.96 120.51 121.31 2owd n ALA 41 Ca 0.00 -0.49 -0.30 0.00 0.00 0.00 0.00 53.44 52.66 2owd n ALA 41 Cb 0.00 -0.62 -0.10 0.00 0.00 0.00 0.00 19.45 18.73 2owd n ALA 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2owd s LEU 42 N -2.78 3.09 0.56 0.00 1.43 -1.14 -5.10 118.68 114.74 2owd s LEU 42 Ca 0.07 -0.37 -0.19 0.00 -1.03 0.00 0.00 54.13 52.61 2owd s LEU 42 Cb 0.13 -1.87 -0.05 0.00 0.03 0.00 0.00 46.19 44.42 2owd s LEU 42 CO 0.69 0.17 1.14 -2.16 0.23 0.00 0.00 176.35 176.42 2owd s PRO 43 N -2.24 3.26 -1.45 1.29 0.04 -1.26 -4.91 135.00 129.73 2owd s PRO 43 Ca 0.22 1.62 -0.12 0.00 0.04 0.00 0.00 61.00 62.76 2owd s PRO 43 Cb -0.11 -1.99 0.04 0.00 0.04 0.00 0.00 34.50 32.48 2owd s PRO 43 CO 0.14 -0.93 2.29 0.43 0.04 0.00 0.00 177.00 178.98 2owd n SER 44 N -1.43 4.98 -4.85 6.66 7.64 -1.26 -4.91 113.62 120.44 2owd n SER 44 Ca 0.12 -2.85 -0.21 0.00 1.01 0.00 0.00 58.87 56.93 2owd n SER 44 Cb 0.51 -1.60 -0.04 0.00 -1.01 0.00 0.00 64.21 62.07 2owd n SER 44 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2owd s LEU 45 N 1.34 3.54 0.46 -3.43 1.43 -1.26 -5.07 118.68 115.69 2owd s LEU 45 Ca 0.50 -0.56 -0.25 0.00 -1.03 0.00 0.00 54.13 52.79 2owd s LEU 45 Cb 0.14 -2.16 -0.08 0.00 0.03 0.00 0.00 46.19 44.11 2owd s LEU 45 CO -0.07 -0.42 1.34 -2.65 0.23 0.00 0.00 176.35 174.78 2owd n PRO 46 N -1.40 1.98 -4.99 1.29 -0.02 -1.26 -4.60 135.00 126.00 2owd n PRO 46 Ca -0.01 0.71 -0.31 0.00 -2.02 0.00 0.00 63.50 61.87 2owd n PRO 46 Cb 0.60 -2.50 -0.14 0.00 -0.02 0.00 0.00 33.50 31.44 2owd n PRO 46 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2owd s ALA 47 N -1.22 2.38 0.05 3.55 0.00 -1.26 -1.28 121.76 123.97 2owd s ALA 47 Ca 0.63 -1.14 0.06 0.00 0.00 0.00 0.00 51.96 51.51 2owd s ALA 47 Cb -0.47 -0.66 -0.02 0.00 0.00 0.00 0.00 23.12 21.97 2owd s ALA 47 CO 0.56 0.55 -0.17 -0.06 0.00 0.00 0.00 175.76 176.64 2owd s PHE 48 N -0.75 1.49 -0.05 0.00 0.08 -0.50 -1.60 117.98 116.65 2owd s PHE 48 Ca 0.12 -0.37 -0.14 0.00 0.12 0.00 0.00 56.93 56.66 2owd s PHE 48 Cb -0.10 -0.88 0.03 0.00 -0.57 0.00 0.00 43.02 41.50 2owd s PHE 48 CO 0.01 0.07 0.32 0.45 -0.10 0.00 0.00 175.22 175.97 2owd s SER 49 N -1.23 -0.24 0.54 1.36 0.15 -0.82 0.24 113.70 113.70 2owd s SER 49 Ca 0.04 0.28 -0.21 0.00 0.70 0.00 0.00 55.95 56.76 2owd s SER 49 Cb -0.08 0.44 -0.06 0.00 -1.71 0.00 0.00 66.02 64.60 2owd s SER 49 CO 0.02 -0.34 1.05 -0.24 1.20 0.00 0.00 173.24 174.93 2owd n SER 50 N 1.79 1.28 0.01 5.45 2.88 -0.28 -1.03 113.62 123.72 2owd n SER 50 Ca -0.19 0.90 0.14 0.00 -1.33 0.00 0.00 58.87 58.39 2owd n SER 50 Cb 0.56 -1.42 0.59 0.00 -0.75 0.00 0.00 64.21 63.20 2owd n SER 50 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2owd n ASP 51 N -0.46 0.07 -4.75 -3.46 5.75 -1.25 -3.83 116.55 108.61 2owd n ASP 51 Ca 0.12 0.46 -0.41 0.00 -0.01 0.00 0.00 54.79 54.94 2owd n ASP 51 Cb 0.45 -0.47 -0.02 0.00 -1.03 0.00 0.00 41.12 40.05 2owd n ASP 51 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2owd s LEU 52 N -3.07 4.35 0.24 -2.12 1.43 -1.26 -4.76 118.68 113.48 2owd s LEU 52 Ca 0.14 2.90 -0.11 0.00 -1.03 0.00 0.00 54.13 56.02 2owd s LEU 52 Cb 0.19 -3.64 0.33 0.00 0.03 0.00 0.00 46.19 43.10 2owd s LEU 52 CO 0.54 -0.86 1.60 -0.03 0.23 0.00 0.00 176.35 177.83 2owd h MET 53 N 4.70 -0.00 -0.29 1.70 1.85 -1.88 -0.63 114.93 120.39 2owd h MET 53 Ca -0.47 0.00 0.05 0.00 -0.61 0.00 0.00 59.70 58.67 2owd h MET 53 Cb 1.22 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 33.24 2owd h MET 53 CO 0.77 -0.00 0.20 0.07 -0.40 0.00 0.00 176.91 177.55 2owd h ARG 54 N -0.00 0.18 0.01 0.39 0.11 -1.91 0.55 114.38 113.71 2owd h ARG 54 Ca 0.38 -0.01 -0.00 0.00 0.10 0.00 0.00 59.98 60.45 2owd h ARG 54 Cb 0.58 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.62 2owd h ARG 54 CO -0.82 0.12 -0.01 0.00 0.10 0.00 0.00 179.97 179.36 2owd h ALA 55 N 1.85 -0.02 -0.76 0.08 0.00 -1.43 -2.83 119.26 116.15 2owd h ALA 55 Ca 0.13 -0.39 0.12 0.00 0.00 0.00 0.00 54.91 54.77 2owd h ALA 55 Cb 0.27 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.98 2owd h ALA 55 CO -0.02 -0.05 0.36 0.00 0.00 0.00 0.00 179.25 179.54 2owd h ARG 56 N -0.94 0.55 -0.33 0.00 3.08 -1.03 -0.81 114.38 114.89 2owd h ARG 56 Ca -0.00 -0.03 -0.10 0.00 0.07 0.00 0.00 59.98 59.92 2owd h ARG 56 Cb 0.78 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.69 2owd h ARG 56 CO 0.00 0.36 -0.21 -0.09 -1.07 0.00 0.00 179.97 178.97 2owd h ARG 57 N 0.57 0.63 -0.28 0.04 9.65 -1.01 -1.45 114.38 122.53 2owd h ARG 57 Ca 0.40 -0.24 -0.03 0.00 -1.10 0.00 0.00 59.98 59.01 2owd h ARG 57 Cb 0.51 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.04 2owd h ARG 57 CO -0.33 0.80 0.07 1.15 2.80 0.00 0.00 179.97 184.46 2owd h THR 58 N 0.56 1.22 -0.30 0.20 2.02 -1.00 -0.71 112.91 114.90 2owd h THR 58 Ca 0.08 -0.72 0.03 0.00 0.77 0.00 0.00 66.41 66.57 2owd h THR 58 Cb 0.67 1.15 -0.03 0.00 -1.74 0.00 0.00 68.15 68.20 2owd h THR 58 CO 0.05 0.24 0.13 0.00 0.37 0.00 0.00 175.52 176.30 2owd h ALA 59 N 0.89 0.36 0.24 6.16 0.00 -0.98 -0.43 119.26 125.51 2owd h ALA 59 Ca 0.09 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2owd h ALA 59 Cb 0.29 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2owd h ALA 59 CO 0.00 -0.26 -0.17 1.49 0.00 0.00 0.00 179.25 180.31 2owd h GLU 60 N 0.28 -0.39 0.00 0.00 4.81 -1.09 -0.66 114.58 117.52 2owd h GLU 60 Ca 0.13 0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.38 2owd h GLU 60 Cb 0.08 0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.54 2owd h GLU 60 CO -0.11 -0.26 -0.05 -0.07 -0.73 0.00 0.00 179.01 177.78 2owd h LEU 61 N -0.41 0.00 -0.11 1.64 3.38 -0.94 0.83 115.31 119.70 2owd h LEU 61 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2owd h LEU 61 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 2owd h LEU 61 CO 0.01 0.05 -0.01 0.00 0.09 0.00 0.00 178.44 178.58 2owd n ALA 62 N -2.29 2.65 -0.37 1.53 0.00 -0.19 -4.20 120.51 117.64 2owd n ALA 62 Ca -0.02 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.20 2owd n ALA 62 Cb 0.15 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.14 2owd n ALA 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2owd n GLY 63 N 1.09 0.78 3.71 0.00 0.00 0.28 -3.97 105.19 107.09 2owd n GLY 63 Ca 0.21 -0.30 -0.23 0.00 0.00 0.00 0.00 46.02 45.70 2owd n GLY 63 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2owd s PHE 64 N -2.00 2.84 -0.52 1.61 0.40 -0.32 -5.01 117.98 114.97 2owd s PHE 64 Ca 0.00 -0.20 0.06 0.00 -0.60 0.00 0.00 56.93 56.19 2owd s PHE 64 Cb 0.00 -1.30 0.22 0.00 0.51 0.00 0.00 43.02 42.45 2owd s PHE 64 CO 0.00 0.56 0.54 0.43 0.70 0.00 0.00 175.22 177.45 2owd n SER 65 N -1.01 1.52 -4.77 1.36 7.64 -1.26 -3.80 113.62 113.29 2owd n SER 65 Ca -0.07 -2.92 -0.33 0.00 1.01 0.00 0.00 58.87 56.57 2owd n SER 65 Cb 0.59 -0.65 0.05 0.00 -1.01 0.00 0.00 64.21 63.19 2owd n SER 65 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2owd s PRO 66 N -1.30 2.71 0.00 1.43 0.04 -1.26 -4.84 135.00 131.78 2owd s PRO 66 Ca 0.34 1.36 -0.19 0.00 0.04 0.00 0.00 61.00 62.54 2owd s PRO 66 Cb 0.10 -1.94 -0.06 0.00 0.04 0.00 0.00 34.50 32.64 2owd s PRO 66 CO -0.12 -1.32 0.54 0.50 0.04 0.00 0.00 177.00 176.65 2owd s ARG 67 N -4.23 4.23 0.04 4.56 3.52 -0.63 -4.88 118.95 121.57 2owd s ARG 67 Ca 0.66 0.65 -0.20 0.00 -0.13 0.00 0.00 55.73 56.71 2owd s ARG 67 Cb -0.20 -3.31 -0.06 0.00 -1.56 0.00 0.00 34.95 29.82 2owd s ARG 67 CO 0.44 0.46 0.58 -0.51 -0.81 0.00 0.00 175.30 175.45 2owd s LEU 68 N -0.45 4.48 -0.08 -0.88 1.43 -1.26 -1.95 118.68 119.97 2owd s LEU 68 Ca 0.29 1.21 -0.03 0.00 -1.03 0.00 0.00 54.13 54.57 2owd s LEU 68 Cb -0.18 -2.90 0.05 0.00 0.03 0.00 0.00 46.19 43.18 2owd s LEU 68 CO 0.16 0.20 0.14 -0.31 0.23 0.00 0.00 176.35 176.77 2owd s TYR 69 N -0.68 -0.13 -0.27 0.29 2.02 -0.20 -4.94 117.35 113.44 2owd s TYR 69 Ca 0.30 0.53 0.25 0.00 -0.37 0.00 0.00 57.07 57.78 2owd s TYR 69 Cb -0.19 -0.31 1.17 0.00 -0.40 0.00 0.00 41.96 42.23 2owd s TYR 69 CO 0.18 -0.27 1.76 -1.35 -1.57 0.00 0.00 175.55 174.30 2owd h PRO 70 N 8.38 0.00 0.00 -1.71 0.11 -1.94 -2.27 132.00 134.57 2owd h PRO 70 Ca -0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.98 2owd h PRO 70 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2owd h PRO 70 CO 0.15 0.00 0.00 0.93 -0.21 0.00 0.00 178.00 178.87 2owd h GLU 71 N 0.00 0.00 -0.24 1.05 3.07 -1.94 -1.69 114.58 114.83 2owd h GLU 71 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2owd h GLU 71 Cb 0.23 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.14 2owd h GLU 71 CO 0.00 0.00 0.00 1.28 -1.40 0.00 0.00 179.01 178.89 2owd n LEU 72 N -2.59 2.38 -4.74 1.33 4.77 -0.85 -4.54 117.00 112.76 2owd n LEU 72 Ca -0.00 -1.00 -0.31 0.00 -0.03 0.00 0.00 56.01 54.67 2owd n LEU 72 Cb 0.15 -0.15 0.11 0.00 -2.33 0.00 0.00 43.42 41.20 2owd n LEU 72 CO 0.18 0.50 0.70 -0.13 -1.33 0.00 0.00 177.39 177.31 2owd s ARG 73 N -1.70 1.94 1.03 3.23 0.52 -0.64 -4.26 118.95 119.08 2owd s ARG 73 Ca 0.34 1.33 -0.12 0.00 -0.52 0.00 0.00 55.73 56.77 2owd s ARG 73 Cb 0.19 -1.85 0.21 0.00 0.52 0.00 0.00 34.95 34.02 2owd s ARG 73 CO 0.28 -1.90 1.07 -2.00 0.02 0.00 0.00 175.30 172.77 2owd s GLU 74 N -4.70 0.13 0.53 3.54 2.56 -1.26 -4.84 118.70 114.65 2owd s GLU 74 Ca 0.64 0.78 -0.21 0.00 0.00 0.00 0.00 54.97 56.19 2owd s GLU 74 Cb -0.20 -1.68 -0.05 0.00 2.00 0.00 0.00 34.13 34.20 2owd s GLU 74 CO 0.55 -3.01 1.22 -1.50 -0.56 0.00 0.00 175.26 171.96 2owd s ILE 75 N -2.74 2.73 -0.46 -3.70 2.07 -1.26 -4.77 121.20 113.07 2owd s ILE 75 Ca 0.66 0.51 -0.26 0.00 -1.41 0.00 0.00 60.65 60.14 2owd s ILE 75 Cb -0.21 -3.24 0.03 0.00 0.13 0.00 0.00 42.46 39.17 2owd s ILE 75 CO 0.60 -0.05 0.98 -2.28 -1.91 0.00 0.00 174.94 172.28 2owd s HIS 76 N -1.53 2.91 -1.72 3.50 5.65 -1.26 -4.30 115.29 118.55 2owd s HIS 76 Ca 0.71 0.50 0.24 0.00 0.25 0.00 0.00 55.06 56.76 2owd s HIS 76 Cb -0.31 -4.05 1.33 0.00 -1.18 0.00 0.00 32.58 28.37 2owd s HIS 76 CO 0.36 -1.11 1.80 1.19 -0.65 0.00 0.00 174.74 176.33 2owd n PHE 77 N 7.29 0.00 -0.89 3.88 3.72 -1.26 -0.92 117.46 129.27 2owd n PHE 77 Ca 0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.48 2owd n PHE 77 Cb 0.49 -0.14 0.00 0.00 -0.94 0.00 0.00 39.48 38.88 2owd n PHE 77 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2owd n GLY 78 N 0.62 3.25 0.25 1.37 0.00 -1.26 -1.01 105.19 108.42 2owd n GLY 78 Ca 0.15 -0.14 0.17 0.00 0.00 0.00 0.00 46.02 46.20 2owd n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2owd h ALA 79 N -0.80 1.00 -0.01 4.61 0.00 -1.22 -1.57 119.26 121.27 2owd h ALA 79 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2owd h ALA 79 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2owd h ALA 79 CO 0.00 0.00 -0.01 1.28 0.00 0.00 0.00 179.25 180.52 2owd n LEU 80 N -2.70 0.74 -4.69 0.00 4.77 -0.18 -4.85 117.00 110.10 2owd n LEU 80 Ca -0.02 -0.23 -0.45 0.00 -0.03 0.00 0.00 56.01 55.28 2owd n LEU 80 Cb 0.09 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.13 2owd n LEU 80 CO 0.16 0.13 1.19 -0.62 -1.33 0.00 0.00 177.39 176.92 2owd n GLU 81 N -0.45 2.29 -0.73 3.23 -0.58 -0.59 -1.50 120.64 122.31 2owd n GLU 81 Ca 0.21 0.82 0.00 0.00 -0.42 0.00 0.00 57.16 57.77 2owd n GLU 81 Cb 0.24 -2.58 0.00 0.00 -0.57 0.00 0.00 31.44 28.53 2owd n GLU 81 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2owd n GLY 82 N 3.08 1.23 3.77 0.62 0.00 0.11 -4.96 105.19 109.02 2owd n GLY 82 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 2owd n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2owd s ALA 83 N -3.38 3.15 0.09 4.61 0.00 -0.56 -4.50 121.76 121.18 2owd s ALA 83 Ca 0.00 1.06 -0.31 0.00 0.00 0.00 0.00 51.96 52.71 2owd s ALA 83 Cb 0.00 -3.42 -0.06 0.00 0.00 0.00 0.00 23.12 19.63 2owd s ALA 83 CO 0.00 -0.67 1.24 -0.51 0.00 0.00 0.00 175.76 175.82 2owd s LEU 84 N -2.57 4.38 0.15 0.00 1.43 -1.26 -0.60 118.68 120.21 2owd s LEU 84 Ca 0.58 2.11 -0.16 0.00 -1.03 0.00 0.00 54.13 55.63 2owd s LEU 84 Cb -0.33 -3.58 0.06 0.00 0.03 0.00 0.00 46.19 42.37 2owd s LEU 84 CO 0.42 -0.49 1.74 -0.25 0.23 0.00 0.00 176.35 177.99 2owd h TRP 85 N 6.56 0.16 -0.85 0.29 2.91 -1.29 -2.73 115.95 121.00 2owd h TRP 85 Ca -0.42 0.02 0.21 0.00 1.13 0.00 0.00 58.89 59.83 2owd h TRP 85 Cb 1.21 -0.02 -0.14 0.00 -0.51 0.00 0.00 29.16 29.71 2owd h TRP 85 CO 0.66 0.05 0.20 1.49 -1.03 0.00 0.00 178.44 179.81 2owd h GLU 86 N 0.22 0.20 -0.50 2.65 4.81 -1.91 -0.94 114.58 119.11 2owd h GLU 86 Ca 0.16 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 2owd h GLU 86 Cb 0.16 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.50 2owd h GLU 86 CO -0.19 0.13 0.00 0.25 -0.73 0.00 0.00 179.01 178.47 2owd n THR 87 N -5.23 0.66 -2.09 0.32 -2.24 -1.05 -4.95 114.28 99.70 2owd n THR 87 Ca 0.19 -0.71 -0.41 0.00 -2.27 0.00 0.00 64.05 60.85 2owd n THR 87 Cb 0.62 0.46 -0.02 0.00 -2.10 0.00 0.00 70.33 69.29 2owd n THR 87 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2owd s LEU 88 N -1.13 4.40 0.21 3.22 2.96 -0.36 -4.92 118.68 123.06 2owd s LEU 88 Ca 0.37 2.60 -0.32 0.00 -0.22 0.00 0.00 54.13 56.56 2owd s LEU 88 Cb 0.20 -3.62 -0.13 0.00 0.50 0.00 0.00 46.19 43.13 2owd s LEU 88 CO 0.27 -0.63 1.48 -0.67 -1.32 0.00 0.00 176.35 175.48 2owd n ASP 89 N 2.18 2.93 -0.44 3.68 -0.08 -1.26 -4.67 116.55 118.90 2owd n ASP 89 Ca 0.06 1.12 0.36 0.00 -1.51 0.00 0.00 54.79 54.82 2owd n ASP 89 Cb 0.41 -1.43 0.66 0.00 2.34 0.00 0.00 41.12 43.10 2owd n ASP 89 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2owd h PRO 90 N 4.88 0.12 -0.36 -0.67 0.11 -1.98 0.27 132.00 134.38 2owd h PRO 90 Ca -0.45 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 65.53 2owd h PRO 90 Cb 1.27 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 2owd h PRO 90 CO 0.81 0.08 -0.28 0.07 -0.21 0.00 0.00 178.00 178.47 2owd h ARG 91 N 0.12 0.76 -0.20 1.05 0.11 -1.99 -0.45 114.38 113.79 2owd h ARG 91 Ca 0.75 -0.33 -0.15 0.00 0.10 0.00 0.00 59.98 60.34 2owd h ARG 91 Cb 2.47 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 33.53 2owd h ARG 91 CO -0.26 0.95 -0.48 1.88 0.10 0.00 0.00 179.97 182.16 2owd h TYR 92 N 0.65 0.86 -0.03 4.08 0.05 -0.85 -1.49 116.97 120.24 2owd h TYR 92 Ca 0.08 -0.33 0.03 0.00 0.05 0.00 0.00 58.73 58.56 2owd h TYR 92 Cb 0.80 -0.15 -0.03 0.00 1.01 0.00 0.00 36.73 38.35 2owd h TYR 92 CO 0.04 1.11 -0.14 0.87 -1.05 0.00 0.00 178.16 179.00 2owd h LYS 93 N 0.37 -0.20 -0.25 4.88 1.57 -1.08 -1.02 116.57 120.84 2owd h LYS 93 Ca -0.00 0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 58.67 2owd h LYS 93 Cb 1.09 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.44 2owd h LYS 93 CO 0.10 -0.14 -0.34 1.49 -0.57 0.00 0.00 179.45 179.99 2owd h GLU 94 N -0.21 0.53 -0.49 3.15 4.81 -1.12 0.21 114.58 121.46 2owd h GLU 94 Ca 0.06 -0.24 0.07 0.00 -0.13 0.00 0.00 59.36 59.11 2owd h GLU 94 Cb 0.29 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.60 2owd h GLU 94 CO -0.16 0.81 0.17 0.00 -0.73 0.00 0.00 179.01 179.10 2owd h ALA 95 N 1.18 0.60 -0.25 2.92 0.00 -0.95 0.34 119.26 123.10 2owd h ALA 95 Ca 0.05 0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.86 2owd h ALA 95 Cb 0.82 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 2owd h ALA 95 CO 0.07 -0.22 -0.51 -0.07 0.00 0.00 0.00 179.25 178.52 2owd h LEU 96 N 0.35 0.76 -0.12 0.00 3.38 -0.87 0.16 115.31 118.98 2owd h LEU 96 Ca 0.24 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 2owd h LEU 96 Cb 0.25 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2owd h LEU 96 CO -0.24 1.13 0.05 -0.07 0.09 0.00 0.00 178.44 179.40 2owd h LEU 97 N 0.54 0.16 -0.08 1.67 3.38 -0.13 -2.67 115.31 118.19 2owd h LEU 97 Ca 0.02 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.83 2owd h LEU 97 Cb 1.07 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.77 2owd h LEU 97 CO 0.10 0.28 -0.06 0.54 0.09 0.00 0.00 178.44 179.40 2owd n ARG 98 N -4.90 0.46 -3.53 1.13 1.74 0.12 -4.94 116.66 106.74 2owd n ARG 98 Ca -0.05 -0.08 -0.19 0.00 -0.77 0.00 0.00 57.85 56.76 2owd n ARG 98 Cb 0.11 -1.50 0.07 0.00 -1.02 0.00 0.00 32.46 30.12 2owd n ARG 98 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2owd n PHE 99 N -1.20 -2.09 -3.51 -1.55 7.35 0.42 -5.00 117.46 111.88 2owd n PHE 99 Ca 0.13 0.89 -0.13 0.00 -0.76 0.00 0.00 57.45 57.59 2owd n PHE 99 Cb 0.27 -4.76 -0.04 0.00 0.35 0.00 0.00 39.48 35.30 2owd n PHE 99 CO 0.00 0.00 0.00 1.14 -0.76 0.00 0.00 176.76 177.14 2owd s GLN 100 N -5.55 0.94 -1.25 -4.13 -2.07 -0.28 -5.00 119.66 102.32 2owd s GLN 100 Ca 0.03 -0.05 -0.04 0.00 -1.82 0.00 0.00 55.36 53.48 2owd s GLN 100 Cb -0.01 0.44 -0.01 0.00 -1.09 0.00 0.00 33.01 32.35 2owd s GLN 100 CO 0.76 -0.35 0.74 0.41 -1.32 0.00 0.00 175.29 175.53 2owd n GLY 101 N 0.32 -0.49 3.15 2.60 0.00 -1.26 -4.51 105.19 105.00 2owd n GLY 101 Ca -0.14 0.23 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 2owd n GLY 101 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2owd s PHE 102 N -3.61 3.01 -0.41 1.61 5.36 -1.26 -4.83 117.98 117.85 2owd s PHE 102 Ca 0.13 -1.73 0.03 0.00 -0.96 0.00 0.00 56.93 54.40 2owd s PHE 102 Cb -0.03 -1.99 0.16 0.00 -0.34 0.00 0.00 43.02 40.82 2owd s PHE 102 CO 0.81 -0.78 0.32 -1.58 -1.46 0.00 0.00 175.22 172.53 2owd s HIS 103 N 1.27 1.12 0.37 10.12 2.46 -1.26 -1.50 115.29 127.87 2owd s HIS 103 Ca 0.00 -2.23 -0.27 0.00 0.47 0.00 0.00 55.06 53.03 2owd s HIS 103 Cb -0.16 -0.99 -0.09 0.00 -0.13 0.00 0.00 32.58 31.20 2owd s HIS 103 CO -0.07 -0.82 1.28 -1.25 -2.47 0.00 0.00 174.74 171.41 2owd s PRO 104 N 0.21 4.14 0.38 2.88 0.04 -1.26 -4.95 135.00 136.44 2owd s PRO 104 Ca 0.30 2.14 -0.28 0.00 0.04 0.00 0.00 61.00 63.19 2owd s PRO 104 Cb -0.02 -2.88 -0.11 0.00 0.04 0.00 0.00 34.50 31.54 2owd s PRO 104 CO -0.15 -0.34 1.47 -2.14 0.04 0.00 0.00 177.00 175.87 2owd s PRO 105 N -2.06 4.07 0.00 0.56 0.02 -1.26 -1.53 135.00 134.80 2owd s PRO 105 Ca 0.54 2.53 0.00 0.00 0.02 0.00 0.00 61.00 64.08 2owd s PRO 105 Cb -0.38 -2.93 0.00 0.00 0.02 0.00 0.00 34.50 31.21 2owd s PRO 105 CO 0.49 -0.55 0.00 0.41 -0.33 0.00 0.00 177.00 177.02 2owd n GLY 106 N 0.49 0.25 0.00 0.52 0.00 -1.26 -0.82 105.19 104.37 2owd n GLY 106 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2owd n GLY 106 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2owd n GLY 107 N -1.04 7.11 3.54 -0.02 0.00 -0.58 -4.25 105.19 109.95 2owd n GLY 107 Ca 0.00 -1.95 -0.34 0.00 0.00 0.00 0.00 46.02 43.73 2owd n GLY 107 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2owd s GLU 108 N 1.25 3.25 0.64 1.61 2.12 -0.10 -4.84 118.70 122.63 2owd s GLU 108 Ca 0.00 -0.52 -0.13 0.00 0.36 0.00 0.00 54.97 54.67 2owd s GLU 108 Cb 0.00 -2.77 -0.02 0.00 0.26 0.00 0.00 34.13 31.60 2owd s GLU 108 CO 0.00 0.44 1.05 -1.54 -0.54 0.00 0.00 175.26 174.68 2owd s SER 109 N -0.20 5.67 0.35 -1.70 1.04 -1.26 -4.48 113.70 113.12 2owd s SER 109 Ca 0.03 1.68 0.05 0.00 0.48 0.00 0.00 55.95 58.19 2owd s SER 109 Cb -0.13 -2.51 0.65 0.00 0.10 0.00 0.00 66.02 64.13 2owd s SER 109 CO 0.02 -1.24 1.90 -0.07 0.98 0.00 0.00 173.24 174.83 2owd h LEU 110 N -0.12 0.47 -0.56 2.42 3.38 -1.67 -0.70 115.31 118.54 2owd h LEU 110 Ca -0.45 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.38 2owd h LEU 110 Cb 1.21 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 2owd h LEU 110 CO 0.58 0.52 0.11 0.28 0.09 0.00 0.00 178.44 180.02 2owd h SER 111 N 0.49 0.86 -0.45 -0.43 0.02 -1.92 -0.01 113.55 112.11 2owd h SER 111 Ca 0.11 -0.25 -0.11 0.00 -0.84 0.00 0.00 61.79 60.70 2owd h SER 111 Cb 0.28 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 2owd h SER 111 CO 0.01 0.89 -0.13 0.00 -1.14 0.00 0.00 176.83 176.45 2owd h ALA 112 N 1.01 0.84 -0.18 3.77 0.00 -1.82 -2.04 119.26 120.83 2owd h ALA 112 Ca 0.17 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 2owd h ALA 112 Cb 0.38 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2owd h ALA 112 CO 0.01 0.65 0.10 0.35 0.00 0.00 0.00 179.25 180.36 2owd h PHE 113 N 0.83 0.25 -0.61 0.00 3.57 -0.84 -1.57 116.94 118.56 2owd h PHE 113 Ca 0.13 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.62 2owd h PHE 113 Cb 0.67 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.30 2owd h PHE 113 CO 0.04 0.23 0.38 1.96 -2.23 0.00 0.00 178.31 178.69 2owd h GLN 114 N 0.19 0.83 -0.61 1.11 4.20 -0.87 -0.75 115.11 119.20 2owd h GLN 114 Ca 0.06 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.70 2owd h GLN 114 Cb 0.07 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 27.64 2owd h GLN 114 CO -0.01 0.58 0.38 1.49 -0.67 0.00 0.00 178.83 180.61 2owd h GLU 115 N 0.83 0.82 0.02 1.46 4.81 -1.16 0.70 114.58 122.06 2owd h GLU 115 Ca 0.22 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.39 2owd h GLU 115 Cb -0.04 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.17 2owd h GLU 115 CO -0.04 0.57 -0.01 -0.09 -0.73 0.00 0.00 179.01 178.71 2owd h ARG 116 N 0.83 -0.02 0.11 1.92 2.43 -0.89 0.01 114.38 118.77 2owd h ARG 116 Ca 0.22 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.39 2owd h ARG 116 Cb -0.05 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 2owd h ARG 116 CO -0.04 -0.01 -0.05 0.28 -1.51 0.00 0.00 179.97 178.63 2owd h VAL 117 N -0.03 0.96 0.00 0.20 2.07 -0.83 -2.24 116.25 116.38 2owd h VAL 117 Ca -0.00 -0.28 -0.07 0.00 0.82 0.00 0.00 66.70 67.17 2owd h VAL 117 Cb 0.03 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 2owd h VAL 117 CO 0.00 0.07 -0.32 -0.26 0.02 0.00 0.00 177.57 177.08 2owd h PHE 118 N -0.28 0.00 -0.37 1.57 0.04 -0.84 -1.68 116.94 115.38 2owd h PHE 118 Ca -0.02 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.62 2owd h PHE 118 Cb 0.23 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.36 2owd h PHE 118 CO -0.03 0.32 -0.32 -0.09 -0.60 0.00 0.00 178.31 177.59 2owd h ARG 119 N 0.00 0.82 -0.19 1.51 2.43 -0.89 -1.05 114.38 117.01 2owd h ARG 119 Ca -0.00 -0.39 -0.03 0.00 -0.81 0.00 0.00 59.98 58.75 2owd h ARG 119 Cb 0.60 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.14 2owd h ARG 119 CO 0.04 1.02 0.01 0.35 -1.51 0.00 0.00 179.97 179.88 2owd h PHE 120 N 0.69 0.36 -0.87 2.20 3.57 -0.82 -2.91 116.94 119.15 2owd h PHE 120 Ca 0.07 -0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.51 2owd h PHE 120 Cb 0.87 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 39.48 2owd h PHE 120 CO 0.05 0.52 0.54 -0.07 -2.23 0.00 0.00 178.31 177.12 2owd h LEU 121 N 0.09 1.02 -1.70 0.59 3.38 -1.25 -2.31 115.31 115.13 2owd h LEU 121 Ca 0.05 -0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.00 2owd h LEU 121 Cb 0.37 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 2owd h LEU 121 CO 0.01 0.77 0.25 -0.08 0.09 0.00 0.00 178.44 179.48 2owd h GLU 122 N 1.19 0.38 0.00 1.13 4.81 -1.04 -2.49 114.58 118.56 2owd h GLU 122 Ca 0.31 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.52 2owd h GLU 122 Cb -0.08 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.22 2owd h GLU 122 CO -0.06 0.25 0.00 0.41 -0.73 0.00 0.00 179.01 178.88 2owd n GLY 123 N -1.50 -1.53 3.71 1.92 0.00 -0.87 -4.84 105.19 102.08 2owd n GLY 123 Ca 0.04 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 2owd n GLY 123 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2owd s LEU 124 N -3.47 4.37 0.00 0.99 1.43 -0.94 -4.91 118.68 116.15 2owd s LEU 124 Ca 0.12 2.39 0.21 0.00 -1.03 0.00 0.00 54.13 55.82 2owd s LEU 124 Cb 0.16 -3.58 0.35 0.00 0.03 0.00 0.00 46.19 43.15 2owd s LEU 124 CO 0.53 -0.71 1.31 0.29 0.23 0.00 0.00 176.35 177.99 2owd n LYS 125 N 4.19 2.29 -3.51 1.70 4.76 -1.26 -4.99 118.16 121.34 2owd n LYS 125 Ca 0.12 -2.10 -0.08 0.00 -2.87 0.00 0.00 58.31 53.38 2owd n LYS 125 Cb 0.41 -1.45 -0.02 0.00 -1.84 0.00 0.00 35.03 32.13 2owd n LYS 125 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2owd s ALA 126 N -1.43 -1.83 0.29 7.82 0.00 -1.26 -5.14 121.76 120.21 2owd s ALA 126 Ca 0.33 1.03 -0.28 0.00 0.00 0.00 0.00 51.96 53.04 2owd s ALA 126 Cb 0.20 0.39 -0.14 0.00 0.00 0.00 0.00 23.12 23.57 2owd s ALA 126 CO 0.28 -0.68 1.08 -2.30 0.00 0.00 0.00 175.76 174.14 2owd n PRO 127 N -0.22 1.50 -3.76 0.00 -0.02 -1.26 -4.98 135.00 126.26 2owd n PRO 127 Ca -0.09 0.53 -0.10 0.00 -2.02 0.00 0.00 63.50 61.82 2owd n PRO 127 Cb 0.62 -1.95 -0.05 0.00 -0.02 0.00 0.00 33.50 32.10 2owd n PRO 127 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2owd s ALA 128 N -0.97 -0.72 -0.18 3.55 0.00 -1.18 -4.25 121.76 118.01 2owd s ALA 128 Ca 0.59 -0.33 -0.06 0.00 0.00 0.00 0.00 51.96 52.17 2owd s ALA 128 Cb -0.69 0.80 -0.03 0.00 0.00 0.00 0.00 23.12 23.20 2owd s ALA 128 CO 0.59 -0.72 0.02 0.08 0.00 0.00 0.00 175.76 175.74 2owd s VAL 129 N -3.87 4.41 -0.25 0.00 1.01 -0.41 -1.28 120.40 120.01 2owd s VAL 129 Ca 0.09 -0.17 -0.01 0.00 0.00 0.00 0.00 61.98 61.90 2owd s VAL 129 Cb 0.01 -2.97 0.03 0.00 0.00 0.00 0.00 36.38 33.45 2owd s VAL 129 CO -0.05 0.46 -0.08 -0.76 0.00 0.00 0.00 175.10 174.67 2owd s LEU 130 N 0.47 3.16 -0.39 3.92 1.43 0.21 -1.41 118.68 126.07 2owd s LEU 130 Ca 0.01 -0.96 -0.22 0.00 -1.03 0.00 0.00 54.13 51.93 2owd s LEU 130 Cb -0.13 -1.63 0.01 0.00 0.03 0.00 0.00 46.19 44.47 2owd s LEU 130 CO 0.01 -0.13 0.69 -0.36 0.23 0.00 0.00 176.35 176.80 2owd s PHE 131 N 1.28 3.10 0.00 0.29 0.08 0.14 -0.31 117.98 122.56 2owd s PHE 131 Ca -0.01 0.29 0.00 0.00 0.12 0.00 0.00 56.93 57.33 2owd s PHE 131 Cb -0.17 -3.32 0.00 0.00 -0.57 0.00 0.00 43.02 38.96 2owd s PHE 131 CO -0.05 -0.76 0.00 -2.37 -0.10 0.00 0.00 175.22 171.94 2owd n THR 132 N 5.77 0.00 -4.50 0.64 5.66 0.33 -1.13 114.28 121.05 2owd n THR 132 Ca 0.00 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.76 2owd n THR 132 Cb 0.48 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.16 2owd n THR 132 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 2owd s HIS 133 N 0.93 2.20 0.25 1.09 3.76 -1.26 -1.99 115.29 120.27 2owd s HIS 133 Ca 0.00 -0.66 -0.03 0.00 -0.15 0.00 0.00 55.06 54.22 2owd s HIS 133 Cb 0.00 -1.34 0.47 0.00 1.11 0.00 0.00 32.58 32.82 2owd s HIS 133 CO 0.00 0.38 1.74 0.78 -0.85 0.00 0.00 174.74 176.79 2owd h GLY 134 N 2.08 1.22 1.68 -2.22 0.00 -1.94 -1.74 103.07 102.15 2owd h GLY 134 Ca -0.41 -0.19 -0.07 0.00 0.00 0.00 0.00 47.33 46.66 2owd h GLY 134 CO 0.71 -0.07 -0.17 -1.33 0.00 0.00 0.00 176.54 175.68 2owd h GLY 135 N 0.51 0.42 0.88 4.60 0.00 -1.96 -0.24 103.07 107.28 2owd h GLY 135 Ca 0.43 -0.29 -0.11 0.00 0.00 0.00 0.00 47.33 47.35 2owd h GLY 135 CO -0.38 0.27 -0.31 -2.08 0.00 0.00 0.00 176.54 174.04 2owd h VAL 136 N 0.36 1.34 -0.65 4.60 2.07 -1.67 -1.03 116.25 121.26 2owd h VAL 136 Ca 0.06 -1.53 -0.03 0.00 0.82 0.00 0.00 66.70 66.02 2owd h VAL 136 Cb 0.51 1.85 -0.03 0.00 -1.52 0.00 0.00 31.29 32.10 2owd h VAL 136 CO 0.03 0.47 0.29 0.58 0.02 0.00 0.00 177.57 178.96 2owd h VAL 137 N 0.22 1.23 -0.65 2.57 2.07 -1.22 -2.21 116.25 118.26 2owd h VAL 137 Ca 0.02 -0.69 -0.03 0.00 0.82 0.00 0.00 66.70 66.82 2owd h VAL 137 Cb 0.90 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 31.10 2owd h VAL 137 CO 0.07 0.28 0.30 -0.09 0.02 0.00 0.00 177.57 178.15 2owd h ARG 138 N 0.91 0.95 -0.76 1.57 2.43 -0.96 0.66 114.38 119.18 2owd h ARG 138 Ca 0.22 -0.15 0.01 0.00 -0.81 0.00 0.00 59.98 59.25 2owd h ARG 138 Cb 0.16 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 29.51 2owd h ARG 138 CO -0.02 0.77 0.50 0.00 -1.51 0.00 0.00 179.97 179.71 2owd h ALA 139 N 1.13 0.97 -0.14 2.80 0.00 -0.85 0.47 119.26 123.64 2owd h ALA 139 Ca 0.22 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 2owd h ALA 139 Cb 0.15 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 2owd h ALA 139 CO -0.02 0.38 -0.07 0.28 0.00 0.00 0.00 179.25 179.81 2owd h VAL 140 N 1.03 1.32 -0.54 0.00 2.07 -1.06 -2.20 116.25 116.86 2owd h VAL 140 Ca 0.28 -1.11 -0.02 0.00 0.82 0.00 0.00 66.70 66.66 2owd h VAL 140 Cb -0.11 1.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 2owd h VAL 140 CO -0.06 0.32 0.25 -0.07 0.02 0.00 0.00 177.57 178.03 2owd h LEU 141 N -0.05 0.71 -1.11 2.57 3.38 -0.65 -2.28 115.31 117.89 2owd h LEU 141 Ca 0.03 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 2owd h LEU 141 Cb 0.54 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 2owd h LEU 141 CO 0.02 0.65 -0.01 0.03 0.09 0.00 0.00 178.44 179.22 2owd h ARG 142 N 0.72 0.61 0.00 1.13 3.08 -0.71 0.04 114.38 119.26 2owd h ARG 142 Ca 0.18 -0.15 -0.05 0.00 0.07 0.00 0.00 59.98 60.03 2owd h ARG 142 Cb 0.13 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 2owd h ARG 142 CO -0.02 0.64 -0.25 0.00 -1.07 0.00 0.00 179.97 179.27 2owd h ALA 143 N 1.41 1.28 -0.42 0.04 0.00 -1.07 -1.07 119.26 119.42 2owd h ALA 143 Ca 0.12 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2owd h ALA 143 Cb 0.38 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2owd h ALA 143 CO 0.01 0.32 0.00 1.28 0.00 0.00 0.00 179.25 180.86 2owd n LEU 144 N -3.79 3.69 -0.47 0.00 4.77 -0.73 -4.92 117.00 115.55 2owd n LEU 144 Ca -0.01 -1.87 -0.05 0.00 -0.03 0.00 0.00 56.01 54.05 2owd n LEU 144 Cb 0.35 -0.53 -0.01 0.00 -2.33 0.00 0.00 43.42 40.90 2owd n LEU 144 CO 0.35 0.56 -0.06 0.61 -1.33 0.00 0.00 177.39 177.52 2owd n GLY 145 N 0.70 0.46 3.27 -0.72 0.00 -0.40 -4.82 105.19 103.67 2owd n GLY 145 Ca 0.18 -0.76 -0.16 0.00 0.00 0.00 0.00 46.02 45.28 2owd n GLY 145 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2owd s GLU 146 N -3.35 1.11 0.13 1.61 2.02 -0.08 -4.99 118.70 115.16 2owd s GLU 146 Ca 0.00 -1.43 -0.31 0.00 0.02 0.00 0.00 54.97 53.25 2owd s GLU 146 Cb 0.00 -0.81 -0.10 0.00 0.10 0.00 0.00 34.13 33.32 2owd s GLU 146 CO 0.00 0.13 1.69 0.34 0.02 0.00 0.00 175.26 177.43 2owd s ASP 147 N -3.01 6.51 -0.14 -0.19 2.15 -1.26 -2.74 116.67 117.99 2owd s ASP 147 Ca 0.16 2.66 0.08 0.00 0.43 0.00 0.00 52.55 55.87 2owd s ASP 147 Cb -0.00 -2.58 0.47 0.00 -0.30 0.00 0.00 42.92 40.51 2owd s ASP 147 CO 0.03 -0.92 1.22 0.61 -0.17 0.00 0.00 175.17 175.94 2owd n GLY 148 N 3.99 2.37 3.59 2.66 0.00 -1.26 -4.82 105.19 111.71 2owd n GLY 148 Ca 0.16 -0.53 -0.41 0.00 0.00 0.00 0.00 46.02 45.23 2owd n GLY 148 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2owd s LEU 149 N -1.58 4.18 -0.02 0.99 1.43 -1.26 -3.80 118.68 118.63 2owd s LEU 149 Ca 0.31 0.32 0.02 0.00 -1.03 0.00 0.00 54.13 53.75 2owd s LEU 149 Cb 0.24 -2.83 0.00 0.00 0.03 0.00 0.00 46.19 43.63 2owd s LEU 149 CO 0.09 -0.55 -0.06 0.68 0.23 0.00 0.00 176.35 176.74 2owd s VAL 150 N 2.70 0.55 0.64 -1.59 -7.23 -1.26 -5.13 120.40 109.08 2owd s VAL 150 Ca 0.26 -0.24 -0.17 0.00 -1.81 0.00 0.00 61.98 60.01 2owd s VAL 150 Cb -0.15 -0.50 -0.04 0.00 0.56 0.00 0.00 36.38 36.25 2owd s VAL 150 CO 0.13 0.18 0.81 -2.65 -0.31 0.00 0.00 175.10 173.27 2owd n PRO 151 N 3.27 0.64 -1.92 4.82 -0.02 -1.26 -4.90 135.00 135.63 2owd n PRO 151 Ca -0.17 0.26 -0.40 0.00 -2.02 0.00 0.00 63.50 61.17 2owd n PRO 151 Cb 0.55 -2.04 0.01 0.00 -0.02 0.00 0.00 33.50 32.00 2owd n PRO 151 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 2owd s PRO 152 N -2.76 3.78 -0.16 0.52 0.02 -1.26 -2.08 135.00 133.06 2owd s PRO 152 Ca 0.73 2.28 0.00 0.00 0.02 0.00 0.00 61.00 64.03 2owd s PRO 152 Cb -0.39 -2.67 0.00 0.00 0.02 0.00 0.00 34.50 31.45 2owd s PRO 152 CO 0.50 -0.69 0.00 0.41 -0.33 0.00 0.00 177.00 176.89 2owd n GLY 153 N 0.62 0.48 3.92 0.52 0.00 0.65 -4.80 105.19 106.58 2owd n GLY 153 Ca 0.05 -0.20 -0.21 0.00 0.00 0.00 0.00 46.02 45.65 2owd n GLY 153 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2owd s SER 154 N -2.24 5.03 0.12 1.61 1.04 -0.88 -4.82 113.70 113.57 2owd s SER 154 Ca 0.00 -0.83 0.00 0.00 0.48 0.00 0.00 55.95 55.60 2owd s SER 154 Cb 0.00 -0.25 -0.04 0.00 0.10 0.00 0.00 66.02 65.83 2owd s SER 154 CO 0.00 -0.86 -0.00 0.00 0.98 0.00 0.00 173.24 173.36 2owd s ALA 155 N -2.55 0.98 -0.02 5.32 0.00 -0.18 -1.39 121.76 123.92 2owd s ALA 155 Ca 0.48 -1.43 -0.01 0.00 0.00 0.00 0.00 51.96 50.99 2owd s ALA 155 Cb -0.04 0.50 0.01 0.00 0.00 0.00 0.00 23.12 23.59 2owd s ALA 155 CO 0.29 -0.36 0.04 0.14 0.00 0.00 0.00 175.76 175.87 2owd s VAL 156 N -3.80 -0.02 -0.12 0.00 -7.23 0.17 0.12 120.40 109.51 2owd s VAL 156 Ca 0.18 0.07 -0.02 0.00 -1.81 0.00 0.00 61.98 60.40 2owd s VAL 156 Cb 0.07 -0.08 -0.03 0.00 0.56 0.00 0.00 36.38 36.90 2owd s VAL 156 CO -0.01 0.03 -0.04 0.00 -0.31 0.00 0.00 175.10 174.77 2owd s ALA 157 N 0.38 3.04 0.10 1.32 0.00 0.61 0.01 121.76 127.22 2owd s ALA 157 Ca -0.03 -0.83 0.04 0.00 0.00 0.00 0.00 51.96 51.14 2owd s ALA 157 Cb -0.04 -1.46 -0.04 0.00 0.00 0.00 0.00 23.12 21.58 2owd s ALA 157 CO -0.01 0.37 -0.11 0.14 0.00 0.00 0.00 175.76 176.14 2owd s VAL 158 N -0.14 1.02 -1.01 0.00 -7.23 0.03 0.34 120.40 113.42 2owd s VAL 158 Ca 0.03 -1.63 -0.13 0.00 -1.81 0.00 0.00 61.98 58.44 2owd s VAL 158 Cb -0.13 -1.36 0.22 0.00 0.56 0.00 0.00 36.38 35.67 2owd s VAL 158 CO 0.02 -0.51 1.05 -0.62 -0.31 0.00 0.00 175.10 174.74 2owd s ASP 159 N -2.39 7.00 0.26 4.85 2.15 0.11 -0.81 116.67 127.84 2owd s ASP 159 Ca 0.05 -2.98 -0.29 0.00 0.43 0.00 0.00 52.55 49.76 2owd s ASP 159 Cb -0.04 -2.27 -0.09 0.00 -0.30 0.00 0.00 42.92 40.22 2owd s ASP 159 CO 0.01 -0.56 1.28 0.86 -0.17 0.00 0.00 175.17 176.59 2owd s TRP 160 N 0.21 3.22 -0.77 -5.34 -0.11 -0.54 0.18 118.94 115.79 2owd s TRP 160 Ca 0.29 1.36 -0.00 0.00 1.22 0.00 0.00 56.10 58.96 2owd s TRP 160 Cb -0.08 -3.59 0.36 0.00 -1.50 0.00 0.00 33.47 28.66 2owd s TRP 160 CO -0.07 -1.70 1.78 -0.35 -4.62 0.00 0.00 176.95 171.99 2owd n PRO 161 N 1.72 3.15 -0.07 5.86 -0.04 -1.26 0.10 135.00 144.47 2owd n PRO 161 Ca 0.03 -3.88 -0.15 0.00 -0.04 0.00 0.00 63.50 59.46 2owd n PRO 161 Cb 0.43 -2.28 -0.05 0.00 -0.04 0.00 0.00 33.50 31.55 2owd n PRO 161 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2owd n ARG 162 N -0.48 0.31 -3.76 0.54 1.74 0.47 -5.01 116.66 110.49 2owd n ARG 162 Ca 0.49 0.14 -0.08 0.00 -0.77 0.00 0.00 57.85 57.64 2owd n ARG 162 Cb 0.33 -1.03 -0.02 0.00 -1.02 0.00 0.00 32.46 30.72 2owd n ARG 162 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 2owd s ARG 163 N -2.30 1.61 0.11 5.56 1.70 -0.80 -4.98 118.95 119.85 2owd s ARG 163 Ca -0.20 -0.84 -0.22 0.00 -0.47 0.00 0.00 55.73 53.99 2owd s ARG 163 Cb 0.07 0.58 -0.07 0.00 -0.57 0.00 0.00 34.95 34.96 2owd s ARG 163 CO 0.26 -0.73 0.67 0.08 -1.08 0.00 0.00 175.30 174.50 2owd s VAL 164 N -3.81 4.58 -0.24 4.99 1.01 -1.26 0.05 120.40 125.72 2owd s VAL 164 Ca 0.09 1.45 -0.09 0.00 0.00 0.00 0.00 61.98 63.43 2owd s VAL 164 Cb -0.04 -4.01 -0.12 0.00 0.00 0.00 0.00 36.38 32.21 2owd s VAL 164 CO 0.02 0.53 -0.28 0.18 0.00 0.00 0.00 175.10 175.55 2owd n LEU 165 N 1.74 2.03 -3.55 3.92 4.77 0.15 -4.83 117.00 121.24 2owd n LEU 165 Ca -0.08 0.19 -0.17 0.00 -0.03 0.00 0.00 56.01 55.92 2owd n LEU 165 Cb 0.50 -0.73 -0.06 0.00 -2.33 0.00 0.00 43.42 40.79 2owd n LEU 165 CO 0.44 0.60 0.41 0.54 -1.33 0.00 0.00 177.39 178.05 2owd s VAL 166 N -2.45 0.00 -0.19 4.08 0.11 -0.94 -4.98 120.40 116.04 2owd s VAL 166 Ca -0.33 -0.03 -0.02 0.00 -2.93 0.00 0.00 61.98 58.67 2owd s VAL 166 Cb 0.12 -0.97 -0.00 0.00 -1.53 0.00 0.00 36.38 33.99 2owd s VAL 166 CO 0.45 -0.02 -0.11 -0.13 -3.33 0.00 0.00 175.10 171.97 2owd s ARG 167 N -1.04 3.28 -0.26 1.54 0.52 -1.26 -0.29 118.95 121.44 2owd s ARG 167 Ca -0.10 -0.70 -0.04 0.00 -0.52 0.00 0.00 55.73 54.38 2owd s ARG 167 Cb -0.01 -2.79 0.01 0.00 0.52 0.00 0.00 34.95 32.68 2owd s ARG 167 CO 0.09 -0.09 -0.01 -1.17 0.02 0.00 0.00 175.30 174.14 2owd s LEU 168 N 1.12 3.36 -0.04 2.53 2.96 0.12 -5.00 118.68 123.74 2owd s LEU 168 Ca 0.01 -0.73 0.05 0.00 -0.22 0.00 0.00 54.13 53.24 2owd s LEU 168 Cb -0.14 -1.75 -0.01 0.00 0.50 0.00 0.00 46.19 44.79 2owd s LEU 168 CO -0.03 -0.13 -0.21 0.00 -1.32 0.00 0.00 176.35 174.66 2owd s ALA 169 N 1.41 1.79 0.05 5.97 0.00 -1.26 -1.01 121.76 128.71 2owd s ALA 169 Ca 0.02 -0.86 0.09 0.00 0.00 0.00 0.00 51.96 51.20 2owd s ALA 169 Cb -0.16 -0.54 -0.03 0.00 0.00 0.00 0.00 23.12 22.39 2owd s ALA 169 CO -0.02 0.36 -0.25 -0.51 0.00 0.00 0.00 175.76 175.35 2owd s LEU 170 N -0.18 2.17 0.00 0.00 1.43 -1.26 -5.08 118.68 115.76 2owd s LEU 170 Ca -0.00 -0.58 0.09 0.00 -1.03 0.00 0.00 54.13 52.62 2owd s LEU 170 Cb -0.11 -1.20 0.07 0.00 0.03 0.00 0.00 46.19 44.99 2owd s LEU 170 CO 0.02 0.23 0.80 0.47 0.23 0.00 0.00 176.35 178.09