#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wpw s ALA 5 N 0.00 0.51 0.00 6.98 0.00 -1.26 -4.49 121.76 123.50 2wpw s ALA 5 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 51.96 52.05 2wpw s ALA 5 Cb 0.00 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.83 2wpw s ALA 5 CO 0.00 -3.22 0.00 0.41 0.00 0.00 0.00 175.76 172.95 2wpw n GLY 6 N 0.20 2.41 0.46 0.00 0.00 -1.26 -4.90 105.19 102.10 2wpw n GLY 6 Ca 0.06 -0.74 -0.19 0.00 0.00 0.00 0.00 46.02 45.15 2wpw n GLY 6 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2wpw h GLU 7 N 0.00 -1.06 -5.88 1.61 4.81 -1.96 -3.45 114.58 108.64 2wpw h GLU 7 Ca 0.00 0.07 -0.67 0.00 -0.13 0.00 0.00 59.36 58.63 2wpw h GLU 7 Cb 0.00 0.24 -0.18 0.00 0.63 0.00 0.00 28.75 29.45 2wpw h GLU 7 CO 0.00 -0.71 -0.65 -0.51 -0.73 0.00 0.00 179.01 176.41 2wpw s LEU 8 N -10.05 3.39 -0.19 1.64 1.43 -1.26 -4.40 118.68 109.24 2wpw s LEU 8 Ca -0.19 0.04 -0.02 0.00 -1.03 0.00 0.00 54.13 52.93 2wpw s LEU 8 Cb 0.03 -1.77 -0.00 0.00 0.03 0.00 0.00 46.19 44.47 2wpw s LEU 8 CO 0.61 0.33 -0.10 -0.70 0.23 0.00 0.00 176.35 176.72 2wpw s GLU 9 N -0.59 3.30 -0.24 1.70 2.12 0.77 -4.92 118.70 120.84 2wpw s GLU 9 Ca 0.09 -0.68 -0.24 0.00 0.36 0.00 0.00 54.97 54.50 2wpw s GLU 9 Cb -0.12 -2.82 -0.01 0.00 0.26 0.00 0.00 34.13 31.45 2wpw s GLU 9 CO 0.02 -0.09 0.80 -0.06 -0.54 0.00 0.00 175.26 175.40 2wpw s PHE 10 N 1.13 3.31 -0.03 5.30 0.08 -1.26 0.08 117.98 126.59 2wpw s PHE 10 Ca 0.01 1.10 0.03 0.00 0.12 0.00 0.00 56.93 58.19 2wpw s PHE 10 Cb -0.14 -3.02 0.00 0.00 -0.57 0.00 0.00 43.02 39.29 2wpw s PHE 10 CO -0.03 -0.39 -0.11 0.08 -0.10 0.00 0.00 175.22 174.68 2wpw s VAL 11 N 2.78 0.96 0.34 -0.44 1.01 0.18 -4.98 120.40 120.25 2wpw s VAL 11 Ca 0.34 -0.45 -0.29 0.00 0.00 0.00 0.00 61.98 61.58 2wpw s VAL 11 Cb -0.15 -0.85 -0.11 0.00 0.00 0.00 0.00 36.38 35.27 2wpw s VAL 11 CO 0.08 0.29 1.43 -2.84 0.00 0.00 0.00 175.10 174.06 2wpw s PRO 12 N 0.22 4.21 -0.35 2.72 0.02 -1.26 0.54 135.00 141.09 2wpw s PRO 12 Ca -0.04 2.42 -0.20 0.00 0.02 0.00 0.00 61.00 63.20 2wpw s PRO 12 Cb -0.10 -3.02 0.00 0.00 0.02 0.00 0.00 34.50 31.40 2wpw s PRO 12 CO 0.01 -0.41 0.60 -1.17 -0.33 0.00 0.00 177.00 175.70 2wpw s LEU 13 N -1.64 4.28 -0.06 -5.54 2.96 0.08 -4.70 118.68 114.06 2wpw s LEU 13 Ca 0.53 0.10 0.05 0.00 -0.22 0.00 0.00 54.13 54.60 2wpw s LEU 13 Cb -0.44 -2.73 -0.01 0.00 0.50 0.00 0.00 46.19 43.51 2wpw s LEU 13 CO 0.56 -0.56 -0.23 0.00 -1.32 0.00 0.00 176.35 174.80 2wpw s ALA 14 N 2.62 2.26 0.43 5.97 0.00 -1.26 -4.76 121.76 127.01 2wpw s ALA 14 Ca 0.23 -1.03 0.09 0.00 0.00 0.00 0.00 51.96 51.25 2wpw s ALA 14 Cb -0.15 -0.75 0.93 0.00 0.00 0.00 0.00 23.12 23.15 2wpw s ALA 14 CO 0.14 0.42 2.06 0.00 0.00 0.00 0.00 175.76 178.38 2wpw h ALA 15 N 6.04 1.78 -0.34 0.00 0.00 -1.96 -1.76 119.26 123.02 2wpw h ALA 15 Ca -0.33 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.47 2wpw h ALA 15 Cb 1.18 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.78 2wpw h ALA 15 CO 0.48 0.19 0.11 0.27 0.00 0.00 0.00 179.25 180.30 2wpw n ASN 16 N -4.48 3.28 -3.98 0.00 0.23 -1.26 -4.58 115.26 104.48 2wpw n ASN 16 Ca 0.03 -2.55 -0.31 0.00 -0.53 0.00 0.00 54.58 51.22 2wpw n ASN 16 Cb 0.10 -0.61 -0.11 0.00 -2.08 0.00 0.00 39.78 37.07 2wpw n ASN 16 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 2wpw s ASP 17 N -0.26 4.94 0.22 0.53 3.68 -0.66 -4.96 116.67 120.17 2wpw s ASP 17 Ca 0.26 -3.48 -0.08 0.00 2.13 0.00 0.00 52.55 51.39 2wpw s ASP 17 Cb 0.21 -1.71 0.35 0.00 -1.45 0.00 0.00 42.92 40.32 2wpw s ASP 17 CO 0.07 -0.18 1.71 0.44 0.13 0.00 0.00 175.17 177.34 2wpw h ASP 18 N 6.01 0.10 0.58 -0.34 3.45 -1.85 -1.52 116.42 122.84 2wpw h ASP 18 Ca 0.07 0.11 -0.03 0.00 0.43 0.00 0.00 57.03 57.61 2wpw h ASP 18 Cb 0.83 0.13 0.01 0.00 -0.56 0.00 0.00 39.33 39.73 2wpw h ASP 18 CO 0.73 0.04 -0.28 -0.08 -1.57 0.00 0.00 179.24 178.09 2wpw h GLU 19 N 0.32 -0.75 -0.20 3.56 4.81 -1.98 -0.79 114.58 119.55 2wpw h GLU 19 Ca 0.35 0.05 0.05 0.00 -0.13 0.00 0.00 59.36 59.68 2wpw h GLU 19 Cb 0.53 0.17 -0.05 0.00 0.63 0.00 0.00 28.75 30.03 2wpw h GLU 19 CO -0.41 -0.45 -0.09 1.15 -0.73 0.00 0.00 179.01 178.49 2wpw h THR 20 N -0.95 0.71 -0.82 0.32 2.02 -1.91 -1.01 112.91 111.26 2wpw h THR 20 Ca -0.08 0.00 0.18 0.00 0.77 0.00 0.00 66.41 67.29 2wpw h THR 20 Cb 0.65 0.71 -0.11 0.00 -1.74 0.00 0.00 68.15 67.65 2wpw h THR 20 CO 0.13 0.00 0.31 0.58 0.37 0.00 0.00 175.52 176.91 2wpw h VAL 21 N -0.07 0.52 -0.11 3.16 2.07 -1.32 0.23 116.25 120.73 2wpw h VAL 21 Ca 0.11 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.50 2wpw h VAL 21 Cb 0.23 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 2wpw h VAL 21 CO -0.24 0.07 0.06 1.23 0.02 0.00 0.00 177.57 178.70 2wpw h GLY 22 N 0.37 0.17 2.00 2.17 0.00 -0.24 -0.73 103.07 106.82 2wpw h GLY 22 Ca 0.49 -0.08 -0.06 0.00 0.00 0.00 0.00 47.33 47.68 2wpw h GLY 22 CO -0.50 0.08 -0.26 1.46 0.00 0.00 0.00 176.54 177.32 2wpw h GLN 23 N 0.06 0.00 -0.09 4.80 4.20 -0.27 -1.35 115.11 122.46 2wpw h GLN 23 Ca 0.04 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.51 2wpw h GLN 23 Cb 0.11 0.00 0.02 0.00 0.30 0.00 0.00 27.48 27.91 2wpw h GLN 23 CO -0.01 0.26 -0.89 2.35 -0.67 0.00 0.00 178.83 179.88 2wpw h TRP 24 N 0.00 1.06 -0.98 2.96 7.01 -0.29 -1.12 115.95 124.59 2wpw h TRP 24 Ca -0.00 -0.51 0.07 0.00 2.11 0.00 0.00 58.89 60.55 2wpw h TRP 24 Cb 0.50 -0.14 -0.07 0.00 -2.10 0.00 0.00 29.16 27.35 2wpw h TRP 24 CO 0.00 1.35 0.63 -0.07 -2.79 0.00 0.00 178.44 177.56 2wpw h LEU 25 N 0.47 1.00 -0.01 0.65 3.38 -0.91 -3.14 115.31 116.74 2wpw h LEU 25 Ca -0.09 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 2wpw h LEU 25 Cb 1.53 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 42.08 2wpw h LEU 25 CO 0.18 0.63 -0.01 0.44 0.09 0.00 0.00 178.44 179.77 2wpw h ASP 26 N 1.13 0.02 0.00 -0.43 3.45 -1.14 -1.02 116.42 118.42 2wpw h ASP 26 Ca 0.43 -0.50 0.00 0.00 0.43 0.00 0.00 57.03 57.39 2wpw h ASP 26 Cb 0.20 -0.01 0.00 0.00 -0.56 0.00 0.00 39.33 38.96 2wpw h ASP 26 CO -0.18 0.52 0.00 -0.11 -1.57 0.00 0.00 179.24 177.90 2wpw n LEU 27 N -4.83 0.00 0.00 1.55 7.94 -0.44 -0.14 117.00 121.09 2wpw n LEU 27 Ca -0.08 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.82 2wpw n LEU 27 Cb 0.26 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.21 2wpw n LEU 27 CO 0.34 0.00 0.00 0.00 -1.11 0.00 0.00 177.39 176.62 2wpw n ALA 29 N 0.04 0.00 0.02 1.96 0.00 -0.39 -0.67 120.51 121.46 2wpw n ALA 29 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 2wpw n ALA 29 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 2wpw n ALA 29 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2wpw h LEU 30 N 0.00 -0.06 -0.72 0.00 5.85 -0.80 -3.14 115.31 116.44 2wpw h LEU 30 Ca 0.00 -0.38 0.11 0.00 0.84 0.00 0.00 57.88 58.45 2wpw h LEU 30 Cb 0.00 0.02 -0.08 0.00 0.37 0.00 0.00 40.66 40.97 2wpw h LEU 30 CO 0.00 0.36 0.33 0.00 -0.34 0.00 0.00 178.44 178.79 2wpw h ALA 31 N 0.42 0.99 0.00 1.25 0.00 -1.14 -1.69 119.26 119.09 2wpw h ALA 31 Ca -0.01 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2wpw h ALA 31 Cb 0.44 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 2wpw h ALA 31 CO 0.01 -0.11 -0.05 0.00 0.00 0.00 0.00 179.25 179.10 2wpw h ALA 32 N 1.46 1.56 -0.20 0.00 0.00 -1.79 -1.76 119.26 118.53 2wpw h ALA 32 Ca 0.37 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 2wpw h ALA 32 Cb 0.45 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2wpw h ALA 32 CO -0.31 0.06 0.09 0.93 0.00 0.00 0.00 179.25 180.02 2wpw h GLU 33 N 0.00 0.27 -0.07 0.00 5.08 -1.30 -2.00 114.58 116.55 2wpw h GLU 33 Ca -0.00 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 2wpw h GLU 33 Cb 0.12 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 2wpw h GLU 33 CO 0.01 0.21 -0.32 0.25 -1.00 0.00 0.00 179.01 178.16 2wpw n THR 34 N -4.47 2.21 -2.56 1.13 -2.24 -0.72 -5.03 114.28 102.60 2wpw n THR 34 Ca -0.00 -2.93 0.00 0.00 -2.27 0.00 0.00 64.05 58.85 2wpw n THR 34 Cb 0.11 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.08 2wpw n THR 34 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wpw n GLY 35 N -1.16 2.17 3.42 3.38 0.00 -0.75 -5.10 105.19 107.15 2wpw n GLY 35 Ca 0.21 -2.09 -0.29 0.00 0.00 0.00 0.00 46.02 43.85 2wpw n GLY 35 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2wpw n PRO 36 N -0.47 -2.47 -2.03 1.61 -0.02 -1.26 -4.90 135.00 125.47 2wpw n PRO 36 Ca 0.00 -0.70 -0.42 0.00 -2.02 0.00 0.00 63.50 60.36 2wpw n PRO 36 Cb 0.00 -2.06 -0.03 0.00 -0.02 0.00 0.00 33.50 31.39 2wpw n PRO 36 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 2wpw s ARG 37 N -4.20 4.23 -0.03 -0.52 3.52 -1.26 -4.98 118.95 115.71 2wpw s ARG 37 Ca 0.66 2.21 -0.29 0.00 -0.13 0.00 0.00 55.73 58.19 2wpw s ARG 37 Cb -0.23 -3.53 0.09 0.00 -1.56 0.00 0.00 34.95 29.72 2wpw s ARG 37 CO 0.66 -0.66 0.79 0.00 -0.81 0.00 0.00 175.30 175.28 2wpw s ALA 38 N 2.33 -1.79 0.36 6.12 0.00 -1.26 -5.11 121.76 122.41 2wpw s ALA 38 Ca 0.70 1.17 -0.28 0.00 0.00 0.00 0.00 51.96 53.55 2wpw s ALA 38 Cb -0.38 0.07 -0.12 0.00 0.00 0.00 0.00 23.12 22.70 2wpw s ALA 38 CO 0.30 -0.50 1.41 0.00 0.00 0.00 0.00 175.76 176.98 2wpw n ALA 39 N 0.38 1.95 -1.28 0.00 0.00 -1.26 -4.95 120.51 115.35 2wpw n ALA 39 Ca -0.14 0.35 -0.32 0.00 0.00 0.00 0.00 53.44 53.32 2wpw n ALA 39 Cb 0.60 -2.36 0.09 0.00 0.00 0.00 0.00 19.45 17.78 2wpw n ALA 39 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2wpw s PRO 40 N -2.00 2.24 0.39 0.00 0.02 -1.26 -4.93 135.00 129.46 2wpw s PRO 40 Ca 0.54 1.42 -0.27 0.00 0.02 0.00 0.00 61.00 62.71 2wpw s PRO 40 Cb -0.51 -1.88 -0.11 0.00 0.02 0.00 0.00 34.50 32.02 2wpw s PRO 40 CO 0.63 -1.69 1.41 -2.30 -0.33 0.00 0.00 177.00 174.72 2wpw n PRO 41 N -3.09 2.38 -3.51 5.54 -0.02 -1.26 -4.95 135.00 130.10 2wpw n PRO 41 Ca 0.11 0.84 -0.37 0.00 -2.02 0.00 0.00 63.50 62.06 2wpw n PRO 41 Cb 0.52 -2.55 -0.07 0.00 -0.02 0.00 0.00 33.50 31.37 2wpw n PRO 41 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wpw h ASN 43 N 6.94 0.19 -0.26 0.00 2.35 -1.99 -2.91 115.58 119.91 2wpw h ASN 43 Ca -0.39 -0.10 -0.02 0.00 -0.55 0.00 0.00 56.30 55.23 2wpw h ASN 43 Cb 1.16 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 39.47 2wpw h ASN 43 CO 0.74 0.72 0.07 0.58 -1.65 0.00 0.00 177.43 177.88 2wpw h VAL 44 N 0.13 1.21 0.00 2.81 2.07 -1.94 0.41 116.25 120.94 2wpw h VAL 44 Ca -0.00 -0.68 0.00 0.00 0.82 0.00 0.00 66.70 66.84 2wpw h VAL 44 Cb 1.05 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.99 2wpw h VAL 44 CO 0.08 0.22 0.00 -0.67 0.02 0.00 0.00 177.57 177.22 2wpw n ASP 45 N -4.72 0.03 0.00 0.57 4.64 -1.10 -1.15 116.55 114.82 2wpw n ASP 45 Ca -0.03 -0.08 0.00 0.00 -1.38 0.00 0.00 54.79 53.30 2wpw n ASP 45 Cb 0.17 -0.01 0.00 0.00 -1.04 0.00 0.00 41.12 40.24 2wpw n ASP 45 CO 0.00 0.00 0.00 0.52 -0.82 0.00 0.00 177.20 176.90 2wpw n VAL 47 N 0.15 0.00 0.08 5.18 0.31 0.14 -1.51 118.33 122.68 2wpw n VAL 47 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.32 2wpw n VAL 47 Cb 0.01 0.00 0.26 0.00 -0.91 0.00 0.00 33.84 33.20 2wpw n VAL 47 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 2wpw h GLY 48 N 0.00 0.32 1.77 2.92 0.00 -1.32 -2.31 103.07 104.44 2wpw h GLY 48 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.07 2wpw h GLY 48 CO 0.00 0.24 0.00 -1.14 0.00 0.00 0.00 176.54 175.64 2wpw n SER 49 N -4.11 0.00 0.02 0.19 3.41 -0.57 -0.78 113.62 111.79 2wpw n SER 49 Ca -0.01 0.25 0.11 0.00 -0.26 0.00 0.00 58.87 58.96 2wpw n SER 49 Cb 0.41 -0.38 0.07 0.00 -0.26 0.00 0.00 64.21 64.05 2wpw n SER 49 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2wpw n LEU 50 N -1.38 0.64 -0.04 1.04 4.77 -0.87 -4.43 117.00 116.71 2wpw n LEU 50 Ca 0.07 -0.04 -0.04 0.00 -0.03 0.00 0.00 56.01 55.96 2wpw n LEU 50 Cb 0.17 -0.13 -0.07 0.00 -2.33 0.00 0.00 43.42 41.06 2wpw n LEU 50 CO 0.15 0.08 -0.80 0.54 -1.33 0.00 0.00 177.39 176.03 2wpw n ARG 51 N -1.82 2.41 -4.04 3.23 1.74 0.04 -4.68 116.66 113.54 2wpw n ARG 51 Ca 0.03 -0.01 -0.31 0.00 -0.77 0.00 0.00 57.85 56.79 2wpw n ARG 51 Cb 0.40 -1.24 -0.15 0.00 -1.02 0.00 0.00 32.46 30.45 2wpw n ARG 51 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2wpw s PHE 52 N -2.24 3.51 0.34 -1.55 0.40 -0.33 -5.12 117.98 112.98 2wpw s PHE 52 Ca -0.05 -2.68 -0.10 0.00 -0.60 0.00 0.00 56.93 53.50 2wpw s PHE 52 Cb 0.03 -2.46 -0.07 0.00 0.51 0.00 0.00 43.02 41.03 2wpw s PHE 52 CO 0.38 -0.92 0.69 0.00 0.70 0.00 0.00 175.22 176.07 2wpw s ALA 53 N 1.00 3.42 0.96 5.36 0.00 -1.26 -4.68 121.76 126.56 2wpw s ALA 53 Ca 0.02 -0.22 -0.11 0.00 0.00 0.00 0.00 51.96 51.65 2wpw s ALA 53 Cb -0.19 -2.60 0.14 0.00 0.00 0.00 0.00 23.12 20.46 2wpw s ALA 53 CO -0.07 0.20 0.98 -0.35 0.00 0.00 0.00 175.76 176.52 2wpw n PRO 54 N -0.83 -0.67 -2.11 0.00 -0.04 -1.26 -4.95 135.00 125.15 2wpw n PRO 54 Ca 0.02 -0.14 -0.36 0.00 -0.04 0.00 0.00 63.50 62.98 2wpw n PRO 54 Cb 0.53 -2.25 0.02 0.00 -0.04 0.00 0.00 33.50 31.76 2wpw n PRO 54 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 2wpw s PRO 55 N -4.41 3.24 -1.45 0.54 0.04 -1.26 -3.72 135.00 127.98 2wpw s PRO 55 Ca 0.65 1.79 -0.07 0.00 0.04 0.00 0.00 61.00 63.41 2wpw s PRO 55 Cb -0.23 -2.07 0.05 0.00 0.04 0.00 0.00 34.50 32.30 2wpw s PRO 55 CO 0.61 -0.98 0.75 0.00 0.04 0.00 0.00 177.00 177.42 2wpw n ALA 56 N -1.25 -1.67 -3.68 8.56 0.00 -1.26 -4.92 120.51 116.29 2wpw n ALA 56 Ca 0.12 -0.04 -0.09 0.00 0.00 0.00 0.00 53.44 53.42 2wpw n ALA 56 Cb 0.49 -2.92 -0.10 0.00 0.00 0.00 0.00 19.45 16.93 2wpw n ALA 56 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2wpw s THR 57 N -3.56 -0.19 -0.14 0.00 2.01 -1.24 -1.02 115.64 111.51 2wpw s THR 57 Ca 0.32 0.09 -0.06 0.00 0.31 0.00 0.00 61.69 62.35 2wpw s THR 57 Cb -0.16 -0.71 -0.04 0.00 0.01 0.00 0.00 72.50 71.60 2wpw s THR 57 CO 0.85 0.04 0.09 0.00 -0.69 0.00 0.00 174.62 174.90 2wpw s ALA 58 N 1.75 3.62 -0.20 7.40 0.00 -0.55 -4.71 121.76 129.06 2wpw s ALA 58 Ca -0.08 -0.71 -0.09 0.00 0.00 0.00 0.00 51.96 51.08 2wpw s ALA 58 Cb -0.09 -1.87 -0.05 0.00 0.00 0.00 0.00 23.12 21.11 2wpw s ALA 58 CO -0.14 0.46 0.12 -0.51 0.00 0.00 0.00 175.76 175.68 2wpw s LEU 59 N -0.53 4.06 -0.45 0.00 1.43 -1.26 0.09 118.68 122.02 2wpw s LEU 59 Ca 0.11 0.15 0.01 0.00 -1.03 0.00 0.00 54.13 53.38 2wpw s LEU 59 Cb -0.12 -2.05 0.12 0.00 0.03 0.00 0.00 46.19 44.17 2wpw s LEU 59 CO 0.02 0.15 0.20 -0.62 0.23 0.00 0.00 176.35 176.33 2wpw s ASP 60 N 0.55 4.83 -0.12 2.29 -1.08 0.17 -4.97 116.67 118.34 2wpw s ASP 60 Ca 0.06 -2.47 -0.04 0.00 -0.52 0.00 0.00 52.55 49.58 2wpw s ASP 60 Cb -0.12 -1.71 -0.04 0.00 -1.46 0.00 0.00 42.92 39.59 2wpw s ASP 60 CO 0.00 -0.37 0.05 -1.81 0.52 0.00 0.00 175.17 173.56 2wpw s ASP 61 N 0.75 5.63 0.03 -0.34 1.01 -1.26 -1.39 116.67 121.10 2wpw s ASP 61 Ca 0.13 0.22 0.00 0.00 0.71 0.00 0.00 52.55 53.61 2wpw s ASP 61 Cb -0.22 -1.75 -0.02 0.00 1.01 0.00 0.00 42.92 41.94 2wpw s ASP 61 CO -0.04 0.34 -0.04 0.26 0.21 0.00 0.00 175.17 175.90 2wpw s TRP 62 N -0.65 0.37 0.08 4.23 0.52 0.18 -0.74 118.94 122.93 2wpw s TRP 62 Ca 0.11 -0.63 0.08 0.00 0.02 0.00 0.00 56.10 55.68 2wpw s TRP 62 Cb -0.12 -0.26 -0.03 0.00 -1.15 0.00 0.00 33.47 31.91 2wpw s TRP 62 CO 0.02 -0.21 -0.22 0.08 0.02 0.00 0.00 176.95 176.64 2wpw s VAL 63 N -1.95 1.82 -0.05 4.03 1.01 0.19 -0.79 120.40 124.67 2wpw s VAL 63 Ca -0.10 -1.45 0.05 0.00 0.00 0.00 0.00 61.98 60.47 2wpw s VAL 63 Cb -0.06 -1.62 -0.02 0.00 0.00 0.00 0.00 36.38 34.68 2wpw s VAL 63 CO -0.03 0.09 -0.19 0.54 0.00 0.00 0.00 175.10 175.52 2wpw s VAL 64 N -0.99 2.64 -0.01 2.92 0.11 0.11 0.51 120.40 125.68 2wpw s VAL 64 Ca 0.08 -0.87 0.07 0.00 -2.93 0.00 0.00 61.98 58.33 2wpw s VAL 64 Cb -0.10 -2.00 -0.02 0.00 -1.53 0.00 0.00 36.38 32.73 2wpw s VAL 64 CO 0.03 0.58 -0.22 0.00 -3.33 0.00 0.00 175.10 172.16 2wpw s ARG 65 N -0.50 1.79 -0.18 1.54 1.70 0.11 -1.57 118.95 121.85 2wpw s ARG 65 Ca 0.06 -0.81 -0.02 0.00 -0.47 0.00 0.00 55.73 54.49 2wpw s ARG 65 Cb -0.12 -1.75 -0.01 0.00 -0.57 0.00 0.00 34.95 32.51 2wpw s ARG 65 CO 0.01 0.48 -0.10 0.45 -1.08 0.00 0.00 175.30 175.06 2wpw s SER 66 N -0.58 4.03 -1.41 -2.89 0.15 -0.62 -0.16 113.70 112.22 2wpw s SER 66 Ca 0.09 -0.40 0.00 0.00 0.70 0.00 0.00 55.95 56.33 2wpw s SER 66 Cb -0.09 -1.66 0.00 0.00 -1.71 0.00 0.00 66.02 62.57 2wpw s SER 66 CO -0.01 0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.09 2wpw n GLY 67 N 4.30 -0.07 2.50 9.45 0.00 -1.26 -1.78 105.19 118.32 2wpw n GLY 67 Ca -0.19 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.62 2wpw n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wpw n GLY 68 N -1.01 0.93 3.43 -0.02 0.00 -1.26 -5.04 105.19 102.22 2wpw n GLY 68 Ca -0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 2wpw n GLY 68 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wpw s ARG 69 N -0.17 1.83 -0.05 1.61 0.52 -0.74 -5.06 118.95 116.90 2wpw s ARG 69 Ca 0.00 -1.12 -0.30 0.00 -0.52 0.00 0.00 55.73 53.79 2wpw s ARG 69 Cb 0.00 -2.08 -0.06 0.00 0.52 0.00 0.00 34.95 33.33 2wpw s ARG 69 CO 0.00 0.50 1.72 0.08 0.02 0.00 0.00 175.30 177.62 2wpw s VAL 70 N -0.99 3.48 -0.20 3.52 1.01 -1.26 -1.59 120.40 124.37 2wpw s VAL 70 Ca 0.15 0.57 0.07 0.00 0.00 0.00 0.00 61.98 62.77 2wpw s VAL 70 Cb -0.10 -3.38 -0.09 0.00 0.00 0.00 0.00 36.38 32.80 2wpw s VAL 70 CO 0.06 -0.06 0.24 1.33 0.00 0.00 0.00 175.10 176.67 2wpw n VAL 71 N 5.58 0.00 -3.84 2.92 0.24 -0.61 -4.92 118.33 117.71 2wpw n VAL 71 Ca 0.18 -0.27 -0.06 0.00 -2.04 0.00 0.00 64.34 62.16 2wpw n VAL 71 Cb 0.43 0.73 0.02 0.00 -1.47 0.00 0.00 33.84 33.54 2wpw n VAL 71 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2wpw s GLY 72 N -2.14 0.18 -0.06 7.63 0.00 -0.83 -0.32 107.32 111.78 2wpw s GLY 72 Ca 0.01 -0.48 -0.14 0.00 0.00 0.00 0.00 44.72 44.11 2wpw s GLY 72 CO 0.30 0.92 0.33 0.00 0.00 0.00 0.00 173.10 174.64 2wpw s ALA 73 N -2.41 -0.83 -0.06 3.20 0.00 -0.41 -0.71 121.76 120.53 2wpw s ALA 73 Ca 0.18 0.60 -0.00 0.00 0.00 0.00 0.00 51.96 52.73 2wpw s ALA 73 Cb -0.04 -0.18 0.03 0.00 0.00 0.00 0.00 23.12 22.93 2wpw s ALA 73 CO 0.08 -0.22 -0.01 -1.17 0.00 0.00 0.00 175.76 174.43 2wpw s LEU 74 N -0.73 0.86 -0.09 0.00 2.96 0.03 -1.40 118.68 120.33 2wpw s LEU 74 Ca -0.08 -0.09 0.03 0.00 -0.22 0.00 0.00 54.13 53.77 2wpw s LEU 74 Cb -0.04 -0.43 0.01 0.00 0.50 0.00 0.00 46.19 46.23 2wpw s LEU 74 CO 0.03 -0.14 -0.19 -0.13 -1.32 0.00 0.00 176.35 174.59 2wpw s ARG 75 N 1.58 2.49 0.01 1.98 0.52 0.00 0.49 118.95 126.01 2wpw s ARG 75 Ca -0.01 -0.68 0.08 0.00 -0.52 0.00 0.00 55.73 54.59 2wpw s ARG 75 Cb -0.13 -1.93 -0.03 0.00 0.52 0.00 0.00 34.95 33.39 2wpw s ARG 75 CO -0.03 0.11 -0.24 -0.51 0.02 0.00 0.00 175.30 174.65 2wpw s LEU 76 N 0.48 2.24 -0.19 2.53 1.43 -0.49 -0.52 118.68 124.17 2wpw s LEU 76 Ca -0.17 -0.47 -0.05 0.00 -1.03 0.00 0.00 54.13 52.41 2wpw s LEU 76 Cb -0.17 -1.37 -0.03 0.00 0.03 0.00 0.00 46.19 44.65 2wpw s LEU 76 CO 0.07 0.30 0.01 0.00 0.23 0.00 0.00 176.35 176.95 2wpw s ALA 77 N -0.73 3.08 -0.44 4.21 0.00 -0.30 0.45 121.76 128.04 2wpw s ALA 77 Ca 0.11 -0.93 -0.03 0.00 0.00 0.00 0.00 51.96 51.11 2wpw s ALA 77 Cb -0.10 -1.77 0.12 0.00 0.00 0.00 0.00 23.12 21.37 2wpw s ALA 77 CO 0.01 -0.06 0.24 -0.51 0.00 0.00 0.00 175.76 175.44 2wpw s LEU 78 N 0.83 5.26 0.24 0.00 1.02 0.11 -0.68 118.68 125.47 2wpw s LEU 78 Ca 0.01 -2.14 -0.30 0.00 0.02 0.00 0.00 54.13 51.72 2wpw s LEU 78 Cb -0.14 -1.83 -0.09 0.00 0.02 0.00 0.00 46.19 44.14 2wpw s LEU 78 CO 0.02 -0.52 1.28 -2.16 0.02 0.00 0.00 176.35 174.99 2wpw s PRO 79 N 0.98 4.41 0.51 1.29 0.04 -1.26 -1.47 135.00 139.50 2wpw s PRO 79 Ca 0.09 2.07 -0.23 0.00 0.04 0.00 0.00 61.00 62.98 2wpw s PRO 79 Cb -0.23 -3.16 -0.06 0.00 0.04 0.00 0.00 34.50 31.09 2wpw s PRO 79 CO -0.04 -0.18 1.31 -0.25 0.04 0.00 0.00 177.00 177.88 2wpw n ASP 80 N 1.96 2.54 0.00 6.66 8.00 -0.19 -2.87 116.55 132.66 2wpw n ASP 80 Ca 0.04 1.01 0.00 0.00 0.71 0.00 0.00 54.79 56.54 2wpw n ASP 80 Cb 0.43 -1.54 0.00 0.00 -0.02 0.00 0.00 41.12 39.98 2wpw n ASP 80 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wpw n GLY 81 N 0.80 1.15 3.75 0.44 0.00 -1.26 -4.98 105.19 105.09 2wpw n GLY 81 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 2wpw n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wpw s ALA 82 N 0.00 2.10 -0.79 4.61 0.00 -1.14 -4.95 121.76 121.59 2wpw s ALA 82 Ca 0.00 0.38 0.17 0.00 0.00 0.00 0.00 51.96 52.50 2wpw s ALA 82 Cb 0.00 -3.32 0.75 0.00 0.00 0.00 0.00 23.12 20.55 2wpw s ALA 82 CO 0.00 -1.95 1.67 -0.35 0.00 0.00 0.00 175.76 175.13 2wpw n PRO 83 N -3.58 4.13 -4.36 0.00 -0.04 -1.26 -4.88 135.00 125.01 2wpw n PRO 83 Ca 0.10 -2.99 -0.26 0.00 -0.04 0.00 0.00 63.50 60.31 2wpw n PRO 83 Cb 0.53 -2.02 -0.09 0.00 -0.04 0.00 0.00 33.50 31.87 2wpw n PRO 83 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2wpw s THR 84 N -2.20 2.17 -0.11 0.52 -4.23 -1.26 -1.08 115.64 109.45 2wpw s THR 84 Ca 0.52 -1.85 -0.01 0.00 -1.18 0.00 0.00 61.69 59.18 2wpw s THR 84 Cb 0.36 -2.99 0.03 0.00 1.34 0.00 0.00 72.50 71.24 2wpw s THR 84 CO 0.21 -0.01 -0.03 0.00 -0.54 0.00 0.00 174.62 174.26 2wpw s ALA 85 N -2.65 1.03 -0.11 3.99 0.00 -0.76 -4.44 121.76 118.83 2wpw s ALA 85 Ca 0.38 -0.40 -0.20 0.00 0.00 0.00 0.00 51.96 51.75 2wpw s ALA 85 Cb 0.07 -0.88 -0.04 0.00 0.00 0.00 0.00 23.12 22.27 2wpw s ALA 85 CO 0.20 -0.53 0.54 0.50 0.00 0.00 0.00 175.76 176.47 2wpw s ARG 86 N 1.83 4.36 -0.65 0.00 3.52 0.15 -2.02 118.95 126.14 2wpw s ARG 86 Ca 0.04 0.57 -0.24 0.00 -0.13 0.00 0.00 55.73 55.98 2wpw s ARG 86 Cb -0.13 -3.45 0.06 0.00 -1.56 0.00 0.00 34.95 29.87 2wpw s ARG 86 CO -0.07 0.11 1.02 0.08 -0.81 0.00 0.00 175.30 175.63 2wpw s VAL 87 N 0.74 4.22 -0.35 7.11 1.01 0.13 -1.15 120.40 132.11 2wpw s VAL 87 Ca 0.29 -0.06 0.23 0.00 0.00 0.00 0.00 61.98 62.44 2wpw s VAL 87 Cb -0.16 -4.69 0.12 0.00 0.00 0.00 0.00 36.38 31.65 2wpw s VAL 87 CO 0.12 -1.45 1.27 0.44 0.00 0.00 0.00 175.10 175.49 2wpw h ASP 88 N 9.59 0.00 -3.29 3.32 3.45 -1.11 -3.42 116.42 124.97 2wpw h ASP 88 Ca -0.28 -0.02 -0.02 0.00 0.43 0.00 0.00 57.03 57.14 2wpw h ASP 88 Cb 1.07 0.00 -0.22 0.00 -0.56 0.00 0.00 39.33 39.62 2wpw h ASP 88 CO 1.18 0.01 -0.02 -1.58 -1.57 0.00 0.00 179.24 177.26 2wpw s GLN 89 N -3.29 0.68 -0.31 3.56 0.74 -1.04 -4.90 119.66 115.09 2wpw s GLN 89 Ca 0.03 1.08 -0.01 0.00 0.05 0.00 0.00 55.36 56.51 2wpw s GLN 89 Cb 0.08 0.17 0.13 0.00 1.10 0.00 0.00 33.01 34.50 2wpw s GLN 89 CO 0.74 -0.14 0.26 -1.17 -0.55 0.00 0.00 175.29 174.43 2wpw s LEU 90 N 1.27 0.14 -0.05 3.68 0.20 -1.25 -0.82 118.68 121.86 2wpw s LEU 90 Ca -0.07 -1.21 0.01 0.00 0.69 0.00 0.00 54.13 53.55 2wpw s LEU 90 Cb -0.05 0.19 0.02 0.00 -0.43 0.00 0.00 46.19 45.91 2wpw s LEU 90 CO -0.14 -0.37 -0.06 -0.22 -0.29 0.00 0.00 176.35 175.27 2wpw s LEU 91 N 1.98 1.41 -0.09 -0.68 2.96 -0.49 -5.00 118.68 118.76 2wpw s LEU 91 Ca 0.12 -0.16 0.02 0.00 -0.22 0.00 0.00 54.13 53.89 2wpw s LEU 91 Cb -0.16 -0.51 -0.02 0.00 0.50 0.00 0.00 46.19 46.00 2wpw s LEU 91 CO -0.25 -0.03 -0.16 -0.69 -1.32 0.00 0.00 176.35 173.90 2wpw s VAL 92 N 0.83 2.85 -0.15 1.68 1.01 -1.26 -1.29 120.40 124.07 2wpw s VAL 92 Ca -0.12 -0.76 -0.41 0.00 0.00 0.00 0.00 61.98 60.69 2wpw s VAL 92 Cb -0.15 -2.14 -0.18 0.00 0.00 0.00 0.00 36.38 33.91 2wpw s VAL 92 CO 0.01 0.56 1.43 1.57 0.00 0.00 0.00 175.10 178.67 2wpw n HIS 93 N 3.02 1.48 0.14 5.22 -0.00 0.57 -4.81 115.22 120.84 2wpw n HIS 93 Ca -0.18 0.82 0.04 0.00 0.46 0.00 0.00 57.72 58.87 2wpw n HIS 93 Cb 0.52 -2.28 0.20 0.00 -0.12 0.00 0.00 29.99 28.31 2wpw n HIS 93 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 2wpw n PRO 94 N 3.30 0.04 -0.26 1.57 -0.04 -1.26 -0.54 135.00 137.81 2wpw n PRO 94 Ca 0.23 0.48 0.11 0.00 -0.04 0.00 0.00 63.50 64.28 2wpw n PRO 94 Cb 0.10 -1.62 0.25 0.00 -0.04 0.00 0.00 33.50 32.19 2wpw n PRO 94 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wpw n GLY 95 N -1.12 2.12 0.72 0.55 0.00 -1.26 -4.32 105.19 101.87 2wpw n GLY 95 Ca 0.00 -0.70 0.05 0.00 0.00 0.00 0.00 46.02 45.37 2wpw n GLY 95 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wpw n ARG 96 N 1.41 0.64 -1.74 1.61 5.12 0.29 -5.08 116.66 118.91 2wpw n ARG 96 Ca 0.20 -2.16 -0.30 0.00 -1.93 0.00 0.00 57.85 53.65 2wpw n ARG 96 Cb 0.58 -0.83 0.05 0.00 -1.16 0.00 0.00 32.46 31.10 2wpw n ARG 96 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 2wpw s ARG 97 N -1.36 2.81 -1.13 5.56 1.81 -1.21 -4.06 118.95 121.37 2wpw s ARG 97 Ca 0.25 0.65 -0.00 0.00 -1.72 0.00 0.00 55.73 54.91 2wpw s ARG 97 Cb 0.26 -2.00 0.00 0.00 -0.45 0.00 0.00 34.95 32.76 2wpw s ARG 97 CO -0.06 -1.11 0.05 0.54 -0.68 0.00 0.00 175.30 174.05 2wpw n ARG 98 N -3.09 -1.36 0.00 3.54 5.12 -1.26 -4.86 116.66 114.75 2wpw n ARG 98 Ca 0.07 0.64 0.00 0.00 -1.93 0.00 0.00 57.85 56.63 2wpw n ARG 98 Cb 0.56 -4.88 0.00 0.00 -1.16 0.00 0.00 32.46 26.98 2wpw n ARG 98 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2wpw n ARG 99 N -2.37 0.85 0.00 5.56 1.74 -1.26 -5.01 116.66 116.18 2wpw n ARG 99 Ca -0.15 -0.37 0.00 0.00 -0.77 0.00 0.00 57.85 56.57 2wpw n ARG 99 Cb 0.62 -0.86 0.00 0.00 -1.02 0.00 0.00 32.46 31.20 2wpw n ARG 99 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wpw n GLY 100 N 0.23 0.76 0.15 -0.13 0.00 -1.26 -5.01 105.19 99.93 2wpw n GLY 100 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 2wpw n GLY 100 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2wpw h ILE 101 N 0.00 0.87 -0.73 -0.61 2.04 -1.95 -1.34 117.51 115.79 2wpw h ILE 101 Ca 0.00 -0.63 0.13 0.00 1.00 0.00 0.00 64.86 65.36 2wpw h ILE 101 Cb 0.00 1.23 -0.09 0.00 -0.74 0.00 0.00 36.82 37.22 2wpw h ILE 101 CO 0.00 0.14 0.31 1.23 0.00 0.00 0.00 178.15 179.83 2wpw h GLY 102 N -0.61 1.10 0.83 5.37 0.00 -1.94 0.43 103.07 108.25 2wpw h GLY 102 Ca -0.03 -0.16 0.08 0.00 0.00 0.00 0.00 47.33 47.21 2wpw h GLY 102 CO 0.05 -0.06 0.57 -0.09 0.00 0.00 0.00 176.54 177.01 2wpw h ARG 103 N 0.48 0.92 0.02 4.80 2.43 -1.93 0.81 114.38 121.91 2wpw h ARG 103 Ca 0.39 -0.06 -0.25 0.00 -0.81 0.00 0.00 59.98 59.25 2wpw h ARG 103 Cb 0.55 -0.21 0.01 0.00 -0.42 0.00 0.00 29.97 29.91 2wpw h ARG 103 CO -0.36 0.61 -1.04 0.00 -1.51 0.00 0.00 179.97 177.67 2wpw h ALA 104 N 1.54 0.21 -0.92 2.80 0.00 0.89 -1.43 119.26 122.35 2wpw h ALA 104 Ca 0.39 -0.72 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 2wpw h ALA 104 Cb 0.28 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 2wpw h ALA 104 CO -0.15 0.75 0.56 -0.07 0.00 0.00 0.00 179.25 180.34 2wpw h LEU 105 N 0.30 1.10 -0.45 0.00 3.38 -0.29 -2.11 115.31 117.24 2wpw h LEU 105 Ca -0.12 -0.06 -0.18 0.00 0.09 0.00 0.00 57.88 57.62 2wpw h LEU 105 Cb 1.69 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 42.15 2wpw h LEU 105 CO 0.19 0.83 -0.71 -0.25 0.09 0.00 0.00 178.44 178.60 2wpw h TRP 106 N 1.27 0.48 -0.40 1.13 2.91 -0.45 -0.36 115.95 120.53 2wpw h TRP 106 Ca 0.33 -0.21 -0.03 0.00 1.13 0.00 0.00 58.89 60.11 2wpw h TRP 106 Cb -0.07 -0.07 -0.02 0.00 -0.51 0.00 0.00 29.16 28.49 2wpw h TRP 106 CO 0.00 0.95 0.10 0.00 -1.03 0.00 0.00 178.44 178.46 2wpw h ALA 107 N 1.00 1.44 -0.15 2.65 0.00 -1.08 -2.41 119.26 120.71 2wpw h ALA 107 Ca -0.02 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 2wpw h ALA 107 Cb 1.27 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 2wpw h ALA 107 CO 0.12 0.41 -0.04 1.25 0.00 0.00 0.00 179.25 180.99 2wpw h HIS 108 N 0.57 0.33 -0.52 0.00 -0.00 -0.66 -1.78 115.15 113.09 2wpw h HIS 108 Ca 0.13 -0.07 0.10 0.00 -0.00 0.00 0.00 60.37 60.53 2wpw h HIS 108 Cb 0.21 -0.08 -0.09 0.00 -0.00 0.00 0.00 27.41 27.44 2wpw h HIS 108 CO 0.01 0.58 -0.08 0.00 -0.00 0.00 0.00 177.93 178.44 2wpw h ALA 109 N 0.71 0.41 -0.50 5.26 0.00 -1.00 0.10 119.26 124.23 2wpw h ALA 109 Ca 0.04 0.19 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 2wpw h ALA 109 Cb 0.47 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 2wpw h ALA 109 CO 0.02 -0.42 -0.08 0.00 0.00 0.00 0.00 179.25 178.77 2wpw h ARG 110 N 0.04 0.91 -0.67 0.00 3.08 -1.27 0.88 114.38 117.34 2wpw h ARG 110 Ca 0.26 -0.30 -0.06 0.00 0.07 0.00 0.00 59.98 59.95 2wpw h ARG 110 Cb 0.40 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.34 2wpw h ARG 110 CO -0.50 0.95 0.19 1.49 -1.07 0.00 0.00 179.97 181.02 2wpw h GLU 111 N 0.82 1.05 -0.25 0.04 4.81 -0.83 0.25 114.58 120.47 2wpw h GLU 111 Ca 0.14 -0.23 -0.08 0.00 -0.13 0.00 0.00 59.36 59.06 2wpw h GLU 111 Cb 0.59 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 2wpw h GLU 111 CO 0.04 0.91 -0.15 -0.07 -0.73 0.00 0.00 179.01 179.01 2wpw h LEU 112 N 1.00 0.57 -0.25 1.64 3.38 -0.39 -1.16 115.31 120.10 2wpw h LEU 112 Ca 0.22 -0.43 0.06 0.00 0.09 0.00 0.00 57.88 57.82 2wpw h LEU 112 Cb 0.32 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 40.84 2wpw h LEU 112 CO -0.00 0.87 -0.27 0.00 0.09 0.00 0.00 178.44 179.13 2wpw h ALA 113 N 0.71 -0.17 -0.28 1.53 0.00 -0.51 -0.84 119.26 119.70 2wpw h ALA 113 Ca 0.05 0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.08 2wpw h ALA 113 Cb 0.67 0.55 -0.04 0.00 0.00 0.00 0.00 17.79 18.97 2wpw h ALA 113 CO 0.04 -0.70 0.01 0.00 0.00 0.00 0.00 179.25 178.61 2wpw h ARG 114 N -0.27 0.10 -0.41 0.00 3.08 -0.94 0.11 114.38 116.05 2wpw h ARG 114 Ca 0.14 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.17 2wpw h ARG 114 Cb 0.49 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.50 2wpw h ARG 114 CO -0.41 0.06 0.21 -0.22 -1.07 0.00 0.00 179.97 178.55 2wpw h LYS 115 N 0.10 0.56 -0.51 0.04 3.64 -0.65 -1.67 116.57 118.09 2wpw h LYS 115 Ca 0.13 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 2wpw h LYS 115 Cb 0.17 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 2wpw h LYS 115 CO -0.22 0.42 0.00 0.72 -2.27 0.00 0.00 179.45 178.11 2wpw n HIS 116 N -4.42 0.68 -3.05 1.91 8.25 -0.37 -4.92 115.22 113.30 2wpw n HIS 116 Ca 0.03 -0.29 -0.17 0.00 -0.26 0.00 0.00 57.72 57.03 2wpw n HIS 116 Cb 0.10 -0.10 0.04 0.00 1.12 0.00 0.00 29.99 31.16 2wpw n HIS 116 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2wpw n ASP 117 N 0.51 -5.06 -4.42 0.41 10.43 -0.63 -5.02 116.55 112.77 2wpw n ASP 117 Ca 0.13 -0.30 -0.33 0.00 2.57 0.00 0.00 54.79 56.87 2wpw n ASP 117 Cb 0.45 -3.79 -0.14 0.00 1.84 0.00 0.00 41.12 39.48 2wpw n ASP 117 CO 0.00 0.00 0.00 -0.13 -1.07 0.00 0.00 177.20 176.00 2wpw s ARG 118 N -5.66 2.68 0.04 -1.24 3.00 0.33 -4.82 118.95 113.28 2wpw s ARG 118 Ca 0.32 -0.73 0.19 0.00 0.00 0.00 0.00 55.73 55.51 2wpw s ARG 118 Cb -0.14 -2.39 -0.16 0.00 0.00 0.00 0.00 34.95 32.26 2wpw s ARG 118 CO 0.40 0.50 0.71 0.25 0.00 0.00 0.00 175.30 177.16 2wpw n THR 119 N 2.65 0.93 -4.25 0.02 -2.24 -0.24 -3.87 114.28 107.28 2wpw n THR 119 Ca -0.17 -0.66 -0.19 0.00 -2.27 0.00 0.00 64.05 60.76 2wpw n THR 119 Cb 0.52 -0.52 -0.11 0.00 -2.10 0.00 0.00 70.33 68.11 2wpw n THR 119 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2wpw s THR 120 N -3.04 1.40 -0.06 4.28 -4.23 -1.20 0.11 115.64 112.90 2wpw s THR 120 Ca -0.04 -1.67 -0.00 0.00 -1.18 0.00 0.00 61.69 58.79 2wpw s THR 120 Cb 0.09 -1.51 -0.03 0.00 1.34 0.00 0.00 72.50 72.39 2wpw s THR 120 CO 0.83 -0.34 -0.02 -0.76 -0.54 0.00 0.00 174.62 173.79 2wpw s LEU 121 N -2.33 3.46 0.17 4.79 1.02 0.16 -1.83 118.68 124.12 2wpw s LEU 121 Ca 0.08 0.07 0.10 0.00 0.02 0.00 0.00 54.13 54.41 2wpw s LEU 121 Cb -0.06 -1.82 -0.04 0.00 0.02 0.00 0.00 46.19 44.28 2wpw s LEU 121 CO 0.03 0.36 -0.20 0.42 0.02 0.00 0.00 176.35 176.98 2wpw s THR 122 N -0.91 2.63 0.08 5.49 -4.23 -0.86 -0.87 115.64 116.97 2wpw s THR 122 Ca 0.14 -1.82 -0.13 0.00 -1.18 0.00 0.00 61.69 58.70 2wpw s THR 122 Cb -0.11 -2.25 0.02 0.00 1.34 0.00 0.00 72.50 71.50 2wpw s THR 122 CO 0.04 -0.05 0.31 0.00 -0.54 0.00 0.00 174.62 174.37 2wpw s ALA 123 N -1.51 -0.65 -0.17 3.99 0.00 -0.36 0.18 121.76 123.23 2wpw s ALA 123 Ca 0.20 -0.15 -0.07 0.00 0.00 0.00 0.00 51.96 51.95 2wpw s ALA 123 Cb -0.09 0.47 -0.04 0.00 0.00 0.00 0.00 23.12 23.46 2wpw s ALA 123 CO 0.11 -0.50 0.05 0.99 0.00 0.00 0.00 175.76 176.40 2wpw s THR 124 N -3.22 4.67 -0.07 0.00 2.01 -1.26 -0.82 115.64 116.95 2wpw s THR 124 Ca -0.00 -0.08 0.03 0.00 0.31 0.00 0.00 61.69 61.94 2wpw s THR 124 Cb 0.01 -3.09 0.01 0.00 0.01 0.00 0.00 72.50 69.44 2wpw s THR 124 CO -0.08 0.48 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.49 2wpw s VAL 125 N 0.27 1.33 -0.16 3.82 1.01 0.53 -4.94 120.40 122.26 2wpw s VAL 125 Ca 0.03 -0.59 -0.29 0.00 0.00 0.00 0.00 61.98 61.13 2wpw s VAL 125 Cb -0.12 -1.20 -0.01 0.00 0.00 0.00 0.00 36.38 35.05 2wpw s VAL 125 CO 0.01 0.40 1.09 -0.69 0.00 0.00 0.00 175.10 175.90 2wpw s VAL 126 N 0.63 4.59 0.08 2.92 1.01 -1.26 -1.31 120.40 127.06 2wpw s VAL 126 Ca -0.15 1.90 0.01 0.00 0.00 0.00 0.00 61.98 63.75 2wpw s VAL 126 Cb -0.16 -4.23 -0.00 0.00 0.00 0.00 0.00 36.38 31.99 2wpw s VAL 126 CO 0.04 -0.10 0.04 -0.62 0.00 0.00 0.00 175.10 174.47 2wpw n GLU 127 N 5.86 0.52 -3.42 2.72 1.02 0.50 -4.75 120.64 123.09 2wpw n GLU 127 Ca 0.11 -0.71 -0.35 0.00 -0.02 0.00 0.00 57.16 56.19 2wpw n GLU 127 Cb 0.47 0.47 -0.06 0.00 -0.02 0.00 0.00 31.44 32.30 2wpw n GLU 127 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2wpw s SER 128 N -1.51 6.76 0.07 1.62 0.01 -1.26 -0.61 113.70 118.78 2wpw s SER 128 Ca 0.06 0.99 -0.25 0.00 1.31 0.00 0.00 55.95 58.06 2wpw s SER 128 Cb 0.00 -2.25 -0.06 0.00 0.21 0.00 0.00 66.02 63.92 2wpw s SER 128 CO 0.04 0.11 0.76 -0.22 0.41 0.00 0.00 173.24 174.34 2wpw s LEU 129 N -2.00 4.49 0.32 2.44 2.96 -1.26 -4.66 118.68 120.98 2wpw s LEU 129 Ca 0.37 1.48 0.23 0.00 -0.22 0.00 0.00 54.13 55.99 2wpw s LEU 129 Cb -0.14 -3.23 1.12 0.00 0.50 0.00 0.00 46.19 44.44 2wpw s LEU 129 CO 0.19 0.08 1.21 -2.65 -1.32 0.00 0.00 176.35 173.85 2wpw n PRO 130 N 2.46 -0.03 0.00 0.98 -0.02 -1.26 -1.68 135.00 135.45 2wpw n PRO 130 Ca -0.04 0.99 0.00 0.00 -2.02 0.00 0.00 63.50 62.44 2wpw n PRO 130 Cb 0.50 -1.91 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 2wpw n PRO 130 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2wpw n SER 131 N -4.38 0.06 -3.97 2.55 3.41 -1.26 -5.07 113.62 104.96 2wpw n SER 131 Ca 0.31 -0.36 -0.30 0.00 -0.26 0.00 0.00 58.87 58.26 2wpw n SER 131 Cb 1.15 0.51 0.24 0.00 -0.26 0.00 0.00 64.21 65.85 2wpw n SER 131 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2wpw s GLY 132 N -0.51 1.54 0.25 5.00 0.00 -0.67 -4.99 107.32 107.94 2wpw s GLY 132 Ca 0.00 -0.74 -0.31 0.00 0.00 0.00 0.00 44.72 43.67 2wpw s GLY 132 CO 0.00 0.10 1.59 -1.55 0.00 0.00 0.00 173.10 173.25 2wpw n PRO 133 N -4.85 2.56 -1.71 2.90 -0.04 -1.26 -4.60 135.00 128.00 2wpw n PRO 133 Ca 0.10 0.91 -0.43 0.00 -0.04 0.00 0.00 63.50 64.05 2wpw n PRO 133 Cb 0.59 -2.69 -0.02 0.00 -0.04 0.00 0.00 33.50 31.33 2wpw n PRO 133 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wpw n ALA 134 N 2.67 2.03 -2.76 0.55 0.00 -1.26 -4.68 120.51 117.06 2wpw n ALA 134 Ca 0.12 0.40 -0.24 0.00 0.00 0.00 0.00 53.44 53.71 2wpw n ALA 134 Cb 0.35 -2.40 -0.06 0.00 0.00 0.00 0.00 19.45 17.33 2wpw n ALA 134 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2wpw s GLN 135 N -0.03 2.73 -0.09 0.00 -1.52 -1.26 -5.03 119.66 114.46 2wpw s GLN 135 Ca 0.69 -1.05 -0.38 0.00 -1.95 0.00 0.00 55.36 52.67 2wpw s GLN 135 Cb -0.57 -2.50 -0.15 0.00 -0.22 0.00 0.00 33.01 29.57 2wpw s GLN 135 CO 0.45 0.44 1.60 -3.47 -0.25 0.00 0.00 175.29 174.05 2wpw n ASP 136 N -0.65 2.28 -0.10 5.90 4.64 -1.26 -4.81 116.55 122.56 2wpw n ASP 136 Ca -0.08 1.08 0.14 0.00 -1.38 0.00 0.00 54.79 54.55 2wpw n ASP 136 Cb 0.56 -1.20 0.56 0.00 -1.04 0.00 0.00 41.12 40.00 2wpw n ASP 136 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 2wpw n PRO 137 N 4.33 0.55 -0.07 -0.67 -0.04 -1.26 -4.35 135.00 133.49 2wpw n PRO 137 Ca 0.22 -0.20 -0.07 0.00 -0.04 0.00 0.00 63.50 63.41 2wpw n PRO 137 Cb 0.18 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.14 2wpw n PRO 137 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2wpw h GLY 138 N 4.97 -0.04 1.71 0.55 0.00 -1.95 -1.77 103.07 106.54 2wpw h GLY 138 Ca 0.00 0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.58 2wpw h GLY 138 CO 0.00 -0.19 0.11 -2.55 0.00 0.00 0.00 176.54 173.91 2wpw h PRO 139 N -0.19 0.38 -0.47 4.80 0.10 -1.90 0.13 132.00 134.85 2wpw h PRO 139 Ca 0.16 -0.04 -0.12 0.00 0.10 0.00 0.00 66.00 66.09 2wpw h PRO 139 Cb 0.43 -0.08 -0.01 0.00 0.10 0.00 0.00 31.00 31.44 2wpw h PRO 139 CO -0.41 0.32 -0.19 0.00 0.10 0.00 0.00 178.00 177.82 2wpw h ALA 140 N 1.75 0.66 -0.41 -0.75 0.00 -1.72 -1.74 119.26 117.04 2wpw h ALA 140 Ca 0.10 -0.38 -0.14 0.00 0.00 0.00 0.00 54.91 54.49 2wpw h ALA 140 Cb 0.07 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2wpw h ALA 140 CO -0.01 0.62 -0.30 0.00 0.00 0.00 0.00 179.25 179.56 2wpw h ALA 141 N 0.86 0.59 -0.61 0.00 0.00 -0.31 -1.56 119.26 118.23 2wpw h ALA 141 Ca 0.11 -0.42 0.13 0.00 0.00 0.00 0.00 54.91 54.73 2wpw h ALA 141 Cb 0.76 -0.13 -0.10 0.00 0.00 0.00 0.00 17.79 18.32 2wpw h ALA 141 CO 0.06 0.64 0.02 0.35 0.00 0.00 0.00 179.25 180.32 2wpw h PHE 142 N 0.76 -0.00 -0.29 0.00 3.57 -0.74 -0.29 116.94 119.94 2wpw h PHE 142 Ca 0.08 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 2wpw h PHE 142 Cb 0.89 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.71 2wpw h PHE 142 CO 0.06 -0.15 0.13 0.00 -2.23 0.00 0.00 178.31 176.12 2wpw h ALA 143 N 1.55 0.38 -0.65 2.41 0.00 -1.01 -1.51 119.26 120.43 2wpw h ALA 143 Ca 0.32 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 2wpw h ALA 143 Cb 0.52 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 2wpw h ALA 143 CO -0.51 -0.04 0.22 0.00 0.00 0.00 0.00 179.25 178.92 2wpw h ALA 144 N 0.97 1.15 0.00 0.00 0.00 -1.01 -0.85 119.26 119.53 2wpw h ALA 144 Ca 0.10 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2wpw h ALA 144 Cb 0.16 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2wpw h ALA 144 CO -0.01 0.59 0.00 0.00 0.00 0.00 0.00 179.25 179.83 2wpw n ALA 145 N -2.45 2.96 -1.19 0.00 0.00 -0.14 -4.13 120.51 115.56 2wpw n ALA 145 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2wpw n ALA 145 Cb 0.20 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.25 2wpw n ALA 145 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wpw n GLY 147 N 1.69 -2.22 3.85 0.00 0.00 -0.93 -5.08 105.19 102.50 2wpw n GLY 147 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 2wpw n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wpw s ALA 148 N 0.00 2.98 0.10 4.61 0.00 -0.37 -4.80 121.76 124.29 2wpw s ALA 148 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 51.96 52.04 2wpw s ALA 148 Cb 0.00 -3.11 -0.03 0.00 0.00 0.00 0.00 23.12 19.97 2wpw s ALA 148 CO 0.00 -0.78 -0.19 -1.01 0.00 0.00 0.00 175.76 173.78 2wpw s HIS 149 N -3.06 1.66 0.15 0.00 3.76 -0.41 -4.38 115.29 113.01 2wpw s HIS 149 Ca 0.56 -0.44 -0.31 0.00 -0.15 0.00 0.00 55.06 54.72 2wpw s HIS 149 Cb -0.12 -0.90 -0.10 0.00 1.11 0.00 0.00 32.58 32.57 2wpw s HIS 149 CO 0.51 0.18 1.55 1.03 -0.85 0.00 0.00 174.74 177.16 2wpw s ARG 150 N -1.99 4.23 0.95 1.40 0.52 -1.26 -2.08 118.95 120.72 2wpw s ARG 150 Ca 0.06 2.31 -0.15 0.00 -0.52 0.00 0.00 55.73 57.43 2wpw s ARG 150 Cb -0.09 -3.21 0.20 0.00 0.52 0.00 0.00 34.95 32.37 2wpw s ARG 150 CO 0.04 -0.59 1.31 0.45 0.02 0.00 0.00 175.30 176.53 2wpw s SER 151 N 1.25 3.15 0.00 0.23 0.15 0.44 -4.90 113.70 114.03 2wpw s SER 151 Ca 0.70 0.22 0.19 0.00 0.70 0.00 0.00 55.95 57.75 2wpw s SER 151 Cb -0.42 -0.27 -0.05 0.00 -1.71 0.00 0.00 66.02 63.56 2wpw s SER 151 CO 0.31 -2.70 0.91 -0.90 1.20 0.00 0.00 173.24 172.06 2wpw n ASP 152 N -3.73 1.59 -4.77 5.45 5.68 -1.26 -4.91 116.55 114.61 2wpw n ASP 152 Ca 0.15 -1.29 -0.41 0.00 -0.50 0.00 0.00 54.79 52.74 2wpw n ASP 152 Cb 0.59 0.59 -0.03 0.00 -1.14 0.00 0.00 41.12 41.14 2wpw n ASP 152 CO 0.00 0.00 0.00 0.27 -1.33 0.00 0.00 177.20 176.14 2wpw s ILE 153 N -2.27 2.92 0.41 2.12 -4.36 -1.26 -4.92 121.20 113.84 2wpw s ILE 153 Ca 0.14 0.92 -0.26 0.00 -0.26 0.00 0.00 60.65 61.19 2wpw s ILE 153 Cb 0.15 -3.59 -0.09 0.00 1.25 0.00 0.00 42.46 40.19 2wpw s ILE 153 CO 0.53 0.22 1.30 -2.16 0.24 0.00 0.00 174.94 175.07 2wpw s PRO 154 N -1.66 3.95 0.98 0.37 0.04 -1.26 -4.76 135.00 132.66 2wpw s PRO 154 Ca 0.48 2.15 -0.12 0.00 0.04 0.00 0.00 61.00 63.56 2wpw s PRO 154 Cb -0.38 -2.74 0.18 0.00 0.04 0.00 0.00 34.50 31.59 2wpw s PRO 154 CO 0.50 -0.51 1.09 0.00 0.04 0.00 0.00 177.00 178.12 2wpw s ALA 155 N -1.27 0.96 -0.07 8.56 0.00 -1.26 -4.69 121.76 123.99 2wpw s ALA 155 Ca 0.57 0.07 -0.21 0.00 0.00 0.00 0.00 51.96 52.39 2wpw s ALA 155 Cb -0.38 -3.27 -0.04 0.00 0.00 0.00 0.00 23.12 19.43 2wpw s ALA 155 CO 0.49 -2.87 0.59 0.20 0.00 0.00 0.00 175.76 174.17 2wpw s GLY 156 N -3.00 2.53 -0.43 0.00 0.00 -0.62 0.11 107.32 105.91 2wpw s GLY 156 Ca 0.66 -0.01 -0.22 0.00 0.00 0.00 0.00 44.72 45.15 2wpw s GLY 156 CO 0.59 0.93 0.69 -1.59 0.00 0.00 0.00 173.10 173.73 2wpw s THR 157 N 0.52 4.77 -0.25 0.90 2.01 0.27 -1.25 115.64 122.61 2wpw s THR 157 Ca 0.32 0.28 -0.15 0.00 0.31 0.00 0.00 61.69 62.45 2wpw s THR 157 Cb -0.17 -4.23 -0.04 0.00 0.01 0.00 0.00 72.50 68.07 2wpw s THR 157 CO 0.15 -0.61 0.37 -2.28 -0.69 0.00 0.00 174.62 171.56 2wpw s HIS 158 N 2.98 3.28 0.19 4.92 2.46 -0.52 -2.07 115.29 126.53 2wpw s HIS 158 Ca 0.25 0.45 0.10 0.00 0.47 0.00 0.00 55.06 56.33 2wpw s HIS 158 Cb -0.13 -2.54 -0.04 0.00 -0.13 0.00 0.00 32.58 29.73 2wpw s HIS 158 CO 0.20 -0.15 -0.20 -0.65 -2.47 0.00 0.00 174.74 171.47 2wpw s GLN 159 N 1.81 1.40 -0.08 2.88 -0.21 0.14 -0.99 119.66 124.62 2wpw s GLN 159 Ca 0.15 -1.51 0.02 0.00 0.02 0.00 0.00 55.36 54.05 2wpw s GLN 159 Cb -0.15 -1.50 0.01 0.00 1.00 0.00 0.00 33.01 32.37 2wpw s GLN 159 CO 0.09 0.30 -0.13 -1.58 -2.12 0.00 0.00 175.29 171.85 2wpw s TRP 160 N -2.11 1.62 -0.12 0.91 0.52 0.14 -1.89 118.94 118.00 2wpw s TRP 160 Ca 0.20 -0.65 -0.03 0.00 0.02 0.00 0.00 56.10 55.63 2wpw s TRP 160 Cb -0.06 -1.19 -0.03 0.00 -1.15 0.00 0.00 33.47 31.05 2wpw s TRP 160 CO 0.09 -0.34 -0.00 -1.17 0.02 0.00 0.00 176.95 175.54 2wpw s LEU 161 N 0.79 3.52 -0.20 2.99 2.96 -0.17 -0.49 118.68 128.08 2wpw s LEU 161 Ca -0.12 0.06 0.00 0.00 -0.22 0.00 0.00 54.13 53.85 2wpw s LEU 161 Cb -0.16 -1.83 0.05 0.00 0.50 0.00 0.00 46.19 44.75 2wpw s LEU 161 CO 0.02 0.29 -0.08 -0.62 -1.32 0.00 0.00 176.35 174.64 2wpw s ASP 162 N -0.36 3.37 0.27 3.68 -1.08 -1.26 -1.54 116.67 119.76 2wpw s ASP 162 Ca 0.07 -0.90 0.25 0.00 -0.52 0.00 0.00 52.55 51.44 2wpw s ASP 162 Cb -0.12 -1.14 0.97 0.00 -1.46 0.00 0.00 42.92 41.16 2wpw s ASP 162 CO 0.02 -0.18 1.74 -0.07 0.52 0.00 0.00 175.17 177.21 2wpw h LEU 163 N 8.01 0.00 -0.16 -1.34 4.07 -0.47 -1.18 115.31 124.23 2wpw h LEU 163 Ca -0.24 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.72 2wpw h LEU 163 Cb 1.09 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.83 2wpw h LEU 163 CO 0.44 0.00 -0.09 0.47 -1.08 0.00 0.00 178.44 178.18 2wpw n ASP 164 N -2.32 0.33 -0.00 -0.43 10.43 -1.26 -3.70 116.55 119.60 2wpw n ASP 164 Ca 0.03 -0.44 0.03 0.00 2.57 0.00 0.00 54.79 56.98 2wpw n ASP 164 Cb 0.28 -0.13 -0.05 0.00 1.84 0.00 0.00 41.12 43.07 2wpw n ASP 164 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 2wpw n ARG 165 N -1.07 0.93 -3.67 -1.24 5.12 -0.50 -5.02 116.66 111.22 2wpw n ARG 165 Ca 0.14 -0.05 -0.10 0.00 -1.93 0.00 0.00 57.85 55.91 2wpw n ARG 165 Cb 0.27 -1.10 -0.09 0.00 -1.16 0.00 0.00 32.46 30.38 2wpw n ARG 165 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 2wpw s HIS 166 N -2.33 -0.83 -0.57 -1.55 2.46 -0.89 -5.06 115.29 106.53 2wpw s HIS 166 Ca -0.02 1.74 -0.05 0.00 0.47 0.00 0.00 55.06 57.20 2wpw s HIS 166 Cb 0.04 0.43 0.15 0.00 -0.13 0.00 0.00 32.58 33.07 2wpw s HIS 166 CO 0.28 -0.42 0.41 0.34 -2.47 0.00 0.00 174.74 172.87 2wpw s ASP 167 N 1.28 5.51 0.11 9.88 3.68 -1.26 -4.27 116.67 131.61 2wpw s ASP 167 Ca -0.08 -2.48 0.08 0.00 2.13 0.00 0.00 52.55 52.20 2wpw s ASP 167 Cb -0.06 -1.92 0.42 0.00 -1.45 0.00 0.00 42.92 39.91 2wpw s ASP 167 CO -0.13 -0.49 1.24 -0.81 0.13 0.00 0.00 175.17 175.10 2wpw n PRO 168 N 4.06 0.05 -0.30 4.34 -0.04 -1.26 -1.00 135.00 140.84 2wpw n PRO 168 Ca 0.03 0.54 0.09 0.00 -0.04 0.00 0.00 63.50 64.13 2wpw n PRO 168 Cb 0.40 -1.66 0.26 0.00 -0.04 0.00 0.00 33.50 32.46 2wpw n PRO 168 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2wpw n LEU 169 N -1.76 3.14 -0.22 1.53 4.32 -1.26 -4.52 117.00 118.23 2wpw n LEU 169 Ca -0.00 -1.57 0.10 0.00 -0.02 0.00 0.00 56.01 54.51 2wpw n LEU 169 Cb 0.02 -0.39 0.38 0.00 -1.62 0.00 0.00 43.42 41.80 2wpw n LEU 169 CO 0.04 0.78 1.22 0.00 -1.22 0.00 0.00 177.39 178.20 2wpw h ALA 170 N 4.06 1.81 -0.59 -1.18 0.00 -1.50 0.39 119.26 122.25 2wpw h ALA 170 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2wpw h ALA 170 Cb 0.79 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2wpw h ALA 170 CO 0.01 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.01 2wpw n ASP 171 N -4.52 3.14 -0.04 0.00 10.43 -1.26 -5.07 116.55 119.24 2wpw n ASP 171 Ca 0.14 -2.00 0.00 0.00 2.57 0.00 0.00 54.79 55.51 2wpw n ASP 171 Cb 0.38 -0.39 -0.00 0.00 1.84 0.00 0.00 41.12 42.94 2wpw n ASP 171 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2wpw n GLY 172 N 1.43 -2.19 3.74 0.44 0.00 0.14 -4.84 105.19 103.92 2wpw n GLY 172 Ca 0.20 -1.49 -0.40 0.00 0.00 0.00 0.00 46.02 44.33 2wpw n GLY 172 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wpw s VAL 173 N -0.65 4.10 0.88 1.61 1.01 -1.26 -4.80 120.40 121.29 2wpw s VAL 173 Ca 0.00 1.98 -0.11 0.00 0.00 0.00 0.00 61.98 63.85 2wpw s VAL 173 Cb 0.00 -4.26 0.12 0.00 0.00 0.00 0.00 36.38 32.24 2wpw s VAL 173 CO 0.00 0.42 1.10 -2.84 0.00 0.00 0.00 175.10 173.78 2wpw s PRO 174 N -0.85 1.36 0.32 2.72 0.02 -1.26 -4.97 135.00 132.34 2wpw s PRO 174 Ca 0.44 1.06 -0.29 0.00 0.02 0.00 0.00 61.00 62.22 2wpw s PRO 174 Cb -0.26 -1.80 -0.12 0.00 0.02 0.00 0.00 34.50 32.34 2wpw s PRO 174 CO 0.33 -2.23 1.50 0.00 -0.33 0.00 0.00 177.00 176.27 2wpw n ALA 175 N -3.91 2.17 -2.42 -1.55 0.00 -1.26 -4.97 120.51 108.58 2wpw n ALA 175 Ca 0.08 0.37 -0.43 0.00 0.00 0.00 0.00 53.44 53.46 2wpw n ALA 175 Cb 0.54 -2.40 -0.02 0.00 0.00 0.00 0.00 19.45 17.56 2wpw n ALA 175 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2wpw s VAL 176 N -0.48 4.22 0.50 0.00 1.01 -1.26 -5.00 120.40 119.39 2wpw s VAL 176 Ca 0.60 1.51 -0.24 0.00 0.00 0.00 0.00 61.98 63.86 2wpw s VAL 176 Cb -0.52 -3.97 -0.07 0.00 0.00 0.00 0.00 36.38 31.82 2wpw s VAL 176 CO 0.55 -0.07 1.39 -0.81 0.00 0.00 0.00 175.10 176.17 2wpw n PRO 177 N 5.92 1.97 -1.51 2.72 -0.04 -1.26 -4.90 135.00 137.90 2wpw n PRO 177 Ca 0.13 0.71 -0.47 0.00 -0.04 0.00 0.00 63.50 63.83 2wpw n PRO 177 Cb 0.45 -2.60 -0.03 0.00 -0.04 0.00 0.00 33.50 31.28 2wpw n PRO 177 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wpw n ALA 178 N -0.63 -1.52 0.00 0.55 0.00 -1.26 -2.62 120.51 115.04 2wpw n ALA 178 Ca 0.08 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.95 2wpw n ALA 178 Cb 0.43 -1.85 0.00 0.00 0.00 0.00 0.00 19.45 18.03 2wpw n ALA 178 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wpw n GLY 179 N 1.65 1.34 3.45 0.00 0.00 -1.26 -5.04 105.19 105.33 2wpw n GLY 179 Ca 0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 2wpw n GLY 179 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wpw s TYR 180 N -2.31 2.38 0.18 1.61 1.51 -1.08 0.31 117.35 119.96 2wpw s TYR 180 Ca 0.00 -0.33 0.06 0.00 -1.01 0.00 0.00 57.07 55.79 2wpw s TYR 180 Cb 0.00 -1.21 -0.05 0.00 -0.11 0.00 0.00 41.96 40.60 2wpw s TYR 180 CO 0.00 0.46 -0.13 -1.12 -1.11 0.00 0.00 175.55 173.65 2wpw s SER 181 N -2.53 2.23 0.09 2.29 0.01 -0.06 -4.81 113.70 110.93 2wpw s SER 181 Ca 0.20 -1.01 0.01 0.00 1.31 0.00 0.00 55.95 56.46 2wpw s SER 181 Cb -0.09 -0.08 -0.04 0.00 0.21 0.00 0.00 66.02 66.02 2wpw s SER 181 CO 0.10 -0.24 0.23 -0.76 0.41 0.00 0.00 173.24 172.99 2wpw s LEU 182 N -3.22 4.35 0.14 2.44 1.43 -1.26 -0.56 118.68 122.00 2wpw s LEU 182 Ca 0.20 0.23 0.02 0.00 -1.03 0.00 0.00 54.13 53.55 2wpw s LEU 182 Cb 0.00 -2.94 -0.04 0.00 0.03 0.00 0.00 46.19 43.24 2wpw s LEU 182 CO 0.04 0.13 -0.05 0.68 0.23 0.00 0.00 176.35 177.38 2wpw s VAL 183 N -1.59 0.81 0.05 -1.59 -7.23 0.81 -4.92 120.40 106.74 2wpw s VAL 183 Ca 0.35 -1.98 0.01 0.00 -1.81 0.00 0.00 61.98 58.55 2wpw s VAL 183 Cb -0.12 -1.90 -0.03 0.00 0.56 0.00 0.00 36.38 34.89 2wpw s VAL 183 CO 0.28 -0.68 -0.06 0.42 -0.31 0.00 0.00 175.10 174.75 2wpw s THR 184 N -3.56 0.45 0.32 5.32 -4.23 -1.26 0.17 115.64 112.85 2wpw s THR 184 Ca 0.18 -1.25 -0.05 0.00 -1.18 0.00 0.00 61.69 59.39 2wpw s THR 184 Cb 0.05 -0.79 0.00 0.00 1.34 0.00 0.00 72.50 73.10 2wpw s THR 184 CO 0.00 -0.54 0.47 -1.66 -0.54 0.00 0.00 174.62 172.36 2wpw s TRP 185 N -1.98 0.89 0.00 3.99 -2.14 -1.02 -4.96 118.94 113.71 2wpw s TRP 185 Ca -0.06 -1.17 0.00 0.00 2.66 0.00 0.00 56.10 57.53 2wpw s TRP 185 Cb -0.06 -0.01 0.00 0.00 -3.10 0.00 0.00 33.47 30.30 2wpw s TRP 185 CO -0.02 -1.11 0.00 0.41 -2.66 0.00 0.00 176.95 173.58 2wpw n GLY 186 N -0.51 1.43 0.25 3.67 0.00 -1.26 -1.44 105.19 107.32 2wpw n GLY 186 Ca 0.00 -0.17 0.14 0.00 0.00 0.00 0.00 46.02 45.99 2wpw n GLY 186 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2wpw h THR 187 N 0.00 0.29 -3.21 2.61 1.35 -1.94 -3.43 112.91 108.57 2wpw h THR 187 Ca 0.00 -0.80 -0.67 0.00 -0.55 0.00 0.00 66.41 64.39 2wpw h THR 187 Cb 0.00 1.62 -0.32 0.00 -1.73 0.00 0.00 68.15 67.72 2wpw h THR 187 CO 0.00 0.11 -0.83 -0.63 -0.25 0.00 0.00 175.52 173.92 2wpw s ILE 188 N -3.69 2.42 0.05 6.82 -1.09 -1.26 -4.86 121.20 119.60 2wpw s ILE 188 Ca 0.01 -0.84 -0.34 0.00 -2.23 0.00 0.00 60.65 57.25 2wpw s ILE 188 Cb 0.10 -2.02 -0.13 0.00 -1.58 0.00 0.00 42.46 38.83 2wpw s ILE 188 CO 0.59 0.52 1.74 0.41 -1.23 0.00 0.00 174.94 176.97 2wpw n THR 189 N 4.28 0.29 -1.68 2.92 -1.04 -1.26 -4.96 114.28 112.84 2wpw n THR 189 Ca -0.20 -0.05 -0.41 0.00 -2.04 0.00 0.00 64.05 61.36 2wpw n THR 189 Cb 0.51 -1.75 0.02 0.00 -1.82 0.00 0.00 70.33 67.29 2wpw n THR 189 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 2wpw n PRO 190 N 5.04 1.69 -0.34 -2.82 -0.02 -1.26 -4.81 135.00 132.48 2wpw n PRO 190 Ca 0.19 0.61 0.21 0.00 -2.02 0.00 0.00 63.50 62.49 2wpw n PRO 190 Cb 0.30 -2.31 0.44 0.00 -0.02 0.00 0.00 33.50 31.92 2wpw n PRO 190 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2wpw h ASP 191 N 1.77 0.57 1.12 2.55 5.19 -2.01 -0.22 116.42 125.39 2wpw h ASP 191 Ca -0.47 0.13 0.00 0.00 -0.62 0.00 0.00 57.03 56.07 2wpw h ASP 191 Cb 1.31 0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.87 2wpw h ASP 191 CO 0.58 0.05 0.00 1.05 -3.12 0.00 0.00 179.24 177.80 2wpw h GLU 192 N 0.47 0.00 -0.02 3.56 4.11 -2.03 -2.92 114.58 117.76 2wpw h GLU 192 Ca 0.65 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.08 2wpw h GLU 192 Cb 1.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.68 2wpw h GLU 192 CO -0.44 0.00 -0.10 0.66 0.07 0.00 0.00 179.01 179.20 2wpw n TYR 193 N -2.38 0.00 0.16 2.06 0.53 -0.12 -4.58 117.16 112.83 2wpw n TYR 193 Ca 0.03 0.00 -0.14 0.00 -1.02 0.00 0.00 57.90 56.78 2wpw n TYR 193 Cb 0.33 0.00 -0.07 0.00 -1.03 0.00 0.00 39.34 38.57 2wpw n TYR 193 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 2wpw h ALA 194 N 3.01 -0.41 0.12 -0.72 0.00 -1.28 0.44 119.26 120.42 2wpw h ALA 194 Ca 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2wpw h ALA 194 Cb 0.63 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2wpw h ALA 194 CO 0.00 -0.75 -0.06 0.28 0.00 0.00 0.00 179.25 178.72 2wpw h VAL 195 N -0.44 1.04 -0.26 0.00 2.07 -1.81 -1.92 116.25 114.93 2wpw h VAL 195 Ca -0.01 -0.69 0.06 0.00 0.82 0.00 0.00 66.70 66.88 2wpw h VAL 195 Cb 0.40 1.47 -0.06 0.00 -1.52 0.00 0.00 31.29 31.58 2wpw h VAL 195 CO -0.03 0.16 -0.13 -0.65 0.02 0.00 0.00 177.57 176.94 2wpw h PRO 196 N -0.49 -0.09 -0.51 1.57 0.11 -1.79 -0.79 132.00 130.01 2wpw h PRO 196 Ca -0.02 0.01 0.10 0.00 0.11 0.00 0.00 66.00 66.20 2wpw h PRO 196 Cb 0.39 0.02 -0.09 0.00 0.11 0.00 0.00 31.00 31.43 2wpw h PRO 196 CO 0.03 -0.06 -0.07 0.28 -0.21 0.00 0.00 178.00 177.97 2wpw h VAL 197 N -0.10 0.54 0.00 3.15 2.07 -0.03 0.03 116.25 121.91 2wpw h VAL 197 Ca 0.14 -0.02 -0.03 0.00 0.82 0.00 0.00 66.70 67.62 2wpw h VAL 197 Cb 0.31 0.48 -0.00 0.00 -1.52 0.00 0.00 31.29 30.55 2wpw h VAL 197 CO -0.32 0.01 -0.13 0.77 0.02 0.00 0.00 177.57 177.92 2wpw h SER 198 N 0.05 0.00 -0.02 0.57 4.64 -0.64 -2.27 113.55 115.88 2wpw h SER 198 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 2wpw h SER 198 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 2wpw h SER 198 CO -0.48 0.13 -0.44 -0.62 -0.87 0.00 0.00 176.83 174.55 2wpw n GLU 199 N -3.52 1.31 -2.53 4.77 1.02 -0.37 -4.82 120.64 116.50 2wpw n GLU 199 Ca -0.01 -1.05 -0.41 0.00 -0.02 0.00 0.00 57.16 55.66 2wpw n GLU 199 Cb 0.27 -1.46 -0.01 0.00 -0.02 0.00 0.00 31.44 30.21 2wpw n GLU 199 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2wpw s LEU 200 N -2.42 3.70 0.00 -4.62 2.96 -0.12 -2.24 118.68 115.93 2wpw s LEU 200 Ca 0.19 -2.13 0.00 0.00 -0.22 0.00 0.00 54.13 51.96 2wpw s LEU 200 Cb 0.18 -2.58 0.00 0.00 0.50 0.00 0.00 46.19 44.29 2wpw s LEU 200 CO 0.54 -1.41 0.00 1.21 -1.32 0.00 0.00 176.35 175.38 2wpw n GLU 201 N 8.51 0.00 0.00 1.98 2.13 -1.26 -4.96 120.64 127.04 2wpw n GLU 201 Ca 0.45 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.27 2wpw n GLU 201 Cb 0.47 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.18 2wpw n GLU 201 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 2wpw n LEU 202 N 0.00 0.00 0.00 4.31 4.32 -0.95 -5.19 117.00 119.48 2wpw n LEU 202 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 2wpw n LEU 202 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 2wpw n LEU 202 CO 0.00 0.00 0.00 -2.11 -1.22 0.00 0.00 177.39 174.06 2wpw n ARG 211 N 0.00 0.00 -0.26 3.23 1.85 -1.26 -5.14 116.66 115.08 2wpw n ARG 211 Ca 0.00 0.00 0.08 0.00 -1.00 0.00 0.00 57.85 56.93 2wpw n ARG 211 Cb 0.00 0.00 0.17 0.00 -1.05 0.00 0.00 32.46 31.58 2wpw n ARG 211 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2wpw n ALA 212 N 5.18 2.75 0.26 2.89 0.00 -1.26 -4.44 120.51 125.90 2wpw n ALA 212 Ca 0.00 -2.77 0.03 0.00 0.00 0.00 0.00 53.44 50.70 2wpw n ALA 212 Cb 0.00 -0.43 0.15 0.00 0.00 0.00 0.00 19.45 19.17 2wpw n ALA 212 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wpw n ALA 213 N -1.26 1.39 0.14 0.00 0.00 -1.26 -2.88 120.51 116.65 2wpw n ALA 213 Ca 0.18 -0.03 -0.00 0.00 0.00 0.00 0.00 53.44 53.59 2wpw n ALA 213 Cb 0.70 -1.10 0.25 0.00 0.00 0.00 0.00 19.45 19.30 2wpw n ALA 213 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2wpw h GLN 214 N 0.00 0.07 -0.42 0.00 4.20 -1.99 -2.63 115.11 114.34 2wpw h GLN 214 Ca 0.00 -0.04 -0.15 0.00 0.06 0.00 0.00 58.65 58.52 2wpw h GLN 214 Cb 0.08 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 2wpw h GLN 214 CO 0.00 0.53 -0.32 0.93 -0.67 0.00 0.00 178.83 179.29 2wpw h GLU 215 N 0.06 0.95 -0.21 1.46 3.07 -1.89 1.02 114.58 119.04 2wpw h GLU 215 Ca 0.00 -0.46 -0.01 0.00 -0.50 0.00 0.00 59.36 58.39 2wpw h GLU 215 Cb 0.86 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.76 2wpw h GLU 215 CO 0.06 1.13 0.11 0.28 -1.40 0.00 0.00 179.01 179.19 2wpw h VAL 216 N 0.79 1.13 0.70 3.13 2.07 -1.69 0.30 116.25 122.68 2wpw h VAL 216 Ca 0.08 -0.38 -0.03 0.00 0.82 0.00 0.00 66.70 67.20 2wpw h VAL 216 Cb 0.91 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 2wpw h VAL 216 CO 0.08 0.13 -0.50 0.03 0.02 0.00 0.00 177.57 177.33 2wpw h ARG 217 N 0.22 -1.10 -0.92 1.57 3.08 -1.22 -1.39 114.38 114.61 2wpw h ARG 217 Ca 0.07 0.08 0.25 0.00 0.07 0.00 0.00 59.98 60.44 2wpw h ARG 217 Cb 0.11 0.25 -0.05 0.00 0.08 0.00 0.00 29.97 30.36 2wpw h ARG 217 CO -0.01 -0.74 0.64 1.15 -1.07 0.00 0.00 179.97 179.94 2wpw h THR 218 N -1.15 0.58 0.11 2.04 2.02 0.12 -1.05 112.91 115.59 2wpw h THR 218 Ca -0.09 -0.06 -0.29 0.00 0.77 0.00 0.00 66.41 66.74 2wpw h THR 218 Cb 0.94 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 67.75 2wpw h THR 218 CO 0.05 0.03 -1.42 -1.28 0.37 0.00 0.00 175.52 173.27 2wpw h SER 219 N 0.16 0.37 -0.05 4.18 0.87 -0.67 -1.63 113.55 116.78 2wpw h SER 219 Ca 0.46 -0.47 -0.01 0.00 -1.23 0.00 0.00 61.79 60.54 2wpw h SER 219 Cb 1.54 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 63.37 2wpw h SER 219 CO -0.09 1.39 0.01 0.22 -0.53 0.00 0.00 176.83 177.83 2wpw h TYR 220 N 0.06 0.09 -0.79 2.24 3.20 -0.78 -2.51 116.97 118.48 2wpw h TYR 220 Ca -0.20 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.71 2wpw h TYR 220 Cb 1.99 -0.02 -0.05 0.00 1.54 0.00 0.00 36.73 40.18 2wpw h TYR 220 CO 0.06 0.29 0.48 0.00 -1.64 0.00 0.00 178.16 177.36 2wpw h ALA 221 N 0.78 1.06 -0.43 1.82 0.00 -1.15 -2.29 119.26 119.06 2wpw h ALA 221 Ca 0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2wpw h ALA 221 Cb 0.25 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2wpw h ALA 221 CO 0.00 0.24 0.25 -0.09 0.00 0.00 0.00 179.25 179.65 2wpw h ARG 222 N 0.91 0.57 -0.33 0.00 2.43 -1.20 -0.89 114.38 115.87 2wpw h ARG 222 Ca 0.34 -0.05 -0.11 0.00 -0.81 0.00 0.00 59.98 59.35 2wpw h ARG 222 Cb 0.12 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 2wpw h ARG 222 CO -0.15 0.41 -0.26 1.96 -1.51 0.00 0.00 179.97 180.41 2wpw h GLN 223 N 0.58 0.66 -0.44 0.20 4.20 -0.97 -1.69 115.11 117.67 2wpw h GLN 223 Ca 0.15 -0.27 -0.03 0.00 0.06 0.00 0.00 58.65 58.56 2wpw h GLN 223 Cb -0.01 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 2wpw h GLN 223 CO -0.03 0.86 0.15 0.74 -0.67 0.00 0.00 178.83 179.88 2wpw h PHE 224 N 0.57 0.69 -0.59 2.96 0.04 -0.89 -3.08 116.94 116.64 2wpw h PHE 224 Ca 0.08 -0.06 -0.02 0.00 2.80 0.00 0.00 57.97 60.77 2wpw h PHE 224 Cb 0.75 -0.20 -0.03 0.00 2.20 0.00 0.00 35.95 38.67 2wpw h PHE 224 CO 0.03 0.61 0.30 0.93 -0.60 0.00 0.00 178.31 179.58 2wpw h GLU 225 N 0.56 0.83 -1.94 1.51 5.08 -0.89 -1.80 114.58 117.93 2wpw h GLU 225 Ca 0.14 -0.10 -0.11 0.00 -1.00 0.00 0.00 59.36 58.29 2wpw h GLU 225 Cb 0.23 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 2wpw h GLU 225 CO -0.01 0.63 -0.03 0.25 -1.00 0.00 0.00 179.01 178.85 2wpw n THR 226 N -4.37 2.42 0.00 1.13 -2.24 -0.66 -2.48 114.28 108.07 2wpw n THR 226 Ca 0.05 -1.02 0.00 0.00 -2.27 0.00 0.00 64.05 60.81 2wpw n THR 226 Cb 0.12 -1.61 0.00 0.00 -2.10 0.00 0.00 70.33 66.73 2wpw n THR 226 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2wpw n ARG 228 N 1.59 0.00 -0.06 -0.78 1.74 -0.68 -0.85 116.66 117.62 2wpw n ARG 228 Ca 0.17 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 57.14 2wpw n ARG 228 Cb 0.62 0.00 0.02 0.00 -1.02 0.00 0.00 32.46 32.08 2wpw n ARG 228 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2wpw h VAL 229 N 0.00 1.29 0.00 1.55 2.07 -1.68 -1.10 116.25 118.38 2wpw h VAL 229 Ca 0.00 -1.64 -0.01 0.00 0.82 0.00 0.00 66.70 65.87 2wpw h VAL 229 Cb 0.00 1.54 -0.00 0.00 -1.52 0.00 0.00 31.29 31.31 2wpw h VAL 229 CO 0.00 0.53 -0.04 1.23 0.02 0.00 0.00 177.57 179.31 2wpw h GLY 230 N 0.88 0.00 -2.54 2.17 0.00 -1.28 0.17 103.07 102.46 2wpw h GLY 230 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.37 2wpw h GLY 230 CO 0.10 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.18 2wpw n ARG 231 N -4.24 3.29 -1.73 4.80 1.74 -0.93 -4.73 116.66 114.87 2wpw n ARG 231 Ca -0.03 -2.12 -0.16 0.00 -0.77 0.00 0.00 57.85 54.78 2wpw n ARG 231 Cb 0.12 -1.85 -0.05 0.00 -1.02 0.00 0.00 32.46 29.66 2wpw n ARG 231 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wpw n GLY 232 N 0.71 1.00 3.78 -0.13 0.00 0.59 -3.29 105.19 107.84 2wpw n GLY 232 Ca 0.19 -0.26 -0.38 0.00 0.00 0.00 0.00 46.02 45.57 2wpw n GLY 232 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wpw s ARG 233 N -3.81 4.22 0.37 1.61 0.52 -0.46 -2.26 118.95 119.15 2wpw s ARG 233 Ca 0.00 0.61 -0.02 0.00 -0.52 0.00 0.00 55.73 55.81 2wpw s ARG 233 Cb 0.00 -3.32 -0.04 0.00 0.52 0.00 0.00 34.95 32.11 2wpw s ARG 233 CO 0.00 0.43 0.60 1.03 0.02 0.00 0.00 175.30 177.39 2wpw s ARG 234 N -0.35 3.52 -0.07 3.54 3.00 0.12 -4.34 118.95 124.36 2wpw s ARG 234 Ca 0.28 -0.17 -0.11 0.00 0.00 0.00 0.00 55.73 55.73 2wpw s ARG 234 Cb -0.17 -2.59 0.02 0.00 0.00 0.00 0.00 34.95 32.21 2wpw s ARG 234 CO 0.15 0.07 0.28 0.00 0.00 0.00 0.00 175.30 175.81 2wpw s ALA 235 N -2.39 -0.71 -0.16 2.13 0.00 -1.26 0.34 121.76 119.72 2wpw s ALA 235 Ca 0.42 0.58 0.02 0.00 0.00 0.00 0.00 51.96 52.98 2wpw s ALA 235 Cb -0.10 -0.26 0.02 0.00 0.00 0.00 0.00 23.12 22.78 2wpw s ALA 235 CO 0.37 -0.18 -0.21 0.71 0.00 0.00 0.00 175.76 176.45 2wpw s TYR 236 N -0.44 2.71 0.00 0.00 1.51 0.32 -3.77 117.35 117.68 2wpw s TYR 236 Ca -0.06 -1.49 0.07 0.00 -1.01 0.00 0.00 57.07 54.58 2wpw s TYR 236 Cb -0.04 -1.86 -0.02 0.00 -0.11 0.00 0.00 41.96 39.94 2wpw s TYR 236 CO 0.02 -0.71 -0.22 -1.01 -1.11 0.00 0.00 175.55 172.52 2wpw s HIS 237 N 1.07 1.93 -0.05 2.71 3.76 -0.52 -1.85 115.29 122.34 2wpw s HIS 237 Ca -0.01 -0.37 0.05 0.00 -0.15 0.00 0.00 55.06 54.58 2wpw s HIS 237 Cb -0.14 -1.22 -0.01 0.00 1.11 0.00 0.00 32.58 32.33 2wpw s HIS 237 CO -0.08 0.01 -0.19 0.99 -0.85 0.00 0.00 174.74 174.62 2wpw s THR 238 N -0.59 1.59 0.09 1.30 2.01 -1.05 -2.45 115.64 116.54 2wpw s THR 238 Ca 0.08 -0.81 0.06 0.00 0.31 0.00 0.00 61.69 61.33 2wpw s THR 238 Cb -0.09 -1.36 -0.04 0.00 0.01 0.00 0.00 72.50 71.03 2wpw s THR 238 CO -0.00 0.45 -0.05 -0.83 -0.69 0.00 0.00 174.62 173.50 2wpw s GLY 239 N -0.03 1.84 -0.23 4.40 0.00 0.46 -2.16 107.32 111.60 2wpw s GLY 239 Ca -0.03 -1.16 -0.06 0.00 0.00 0.00 0.00 44.72 43.46 2wpw s GLY 239 CO 0.02 -1.13 0.02 0.00 0.00 0.00 0.00 173.10 172.02 2wpw s ALA 240 N -1.23 3.05 -0.12 3.20 0.00 -0.06 -0.13 121.76 126.47 2wpw s ALA 240 Ca 0.23 -1.09 -0.03 0.00 0.00 0.00 0.00 51.96 51.06 2wpw s ALA 240 Cb -0.11 -1.90 -0.03 0.00 0.00 0.00 0.00 23.12 21.07 2wpw s ALA 240 CO 0.15 -0.36 0.01 0.08 0.00 0.00 0.00 175.76 175.63 2wpw s VAL 241 N 1.38 4.34 -0.42 0.00 1.01 0.28 0.13 120.40 127.12 2wpw s VAL 241 Ca 0.05 -0.22 -0.25 0.00 0.00 0.00 0.00 61.98 61.56 2wpw s VAL 241 Cb -0.15 -2.87 0.02 0.00 0.00 0.00 0.00 36.38 33.38 2wpw s VAL 241 CO 0.01 0.55 0.91 -2.28 0.00 0.00 0.00 175.10 174.30 2wpw s HIS 242 N -0.36 2.99 0.07 5.22 2.46 0.31 -0.88 115.29 125.10 2wpw s HIS 242 Ca 0.07 0.52 -0.25 0.00 0.47 0.00 0.00 55.06 55.87 2wpw s HIS 242 Cb -0.12 -3.81 -0.16 0.00 -0.13 0.00 0.00 32.58 28.35 2wpw s HIS 242 CO 0.02 -0.98 1.62 -0.44 -2.47 0.00 0.00 174.74 172.49 2wpw h ASP 243 N 8.83 -0.15 -0.11 9.88 3.45 -0.47 0.97 116.42 138.82 2wpw h ASP 243 Ca -0.24 -0.07 0.03 0.00 0.43 0.00 0.00 57.03 57.18 2wpw h ASP 243 Cb 1.08 0.04 -0.00 0.00 -0.56 0.00 0.00 39.33 39.88 2wpw h ASP 243 CO 1.00 -0.02 0.09 0.00 -1.57 0.00 0.00 179.24 178.73 2wpw h ALA 244 N 0.59 1.97 0.00 3.45 0.00 -1.94 -2.72 119.26 120.61 2wpw h ALA 244 Ca -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2wpw h ALA 244 Cb 0.21 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2wpw h ALA 244 CO 0.03 -0.14 -0.78 0.25 0.00 0.00 0.00 179.25 178.61 2wpw n THR 245 N -4.30 0.00 -1.04 0.00 -2.24 -0.96 -4.98 114.28 100.76 2wpw n THR 245 Ca -0.00 -0.22 -0.01 0.00 -2.27 0.00 0.00 64.05 61.54 2wpw n THR 245 Cb 0.20 0.85 -0.01 0.00 -2.10 0.00 0.00 70.33 69.27 2wpw n THR 245 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wpw n GLY 246 N 1.39 0.23 3.77 3.38 0.00 0.33 -4.99 105.19 109.30 2wpw n GLY 246 Ca 0.01 -0.02 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 2wpw n GLY 246 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wpw s ALA 247 N -1.31 3.00 -0.60 4.61 0.00 -1.19 -4.77 121.76 121.51 2wpw s ALA 247 Ca 0.00 0.90 -0.28 0.00 0.00 0.00 0.00 51.96 52.58 2wpw s ALA 247 Cb 0.00 -3.36 0.02 0.00 0.00 0.00 0.00 23.12 19.77 2wpw s ALA 247 CO 0.00 -0.57 1.39 -1.17 0.00 0.00 0.00 175.76 175.41 2wpw s LEU 248 N -2.93 3.36 0.39 0.00 2.96 -1.26 -0.53 118.68 120.67 2wpw s LEU 248 Ca 0.62 0.14 0.21 0.00 -0.22 0.00 0.00 54.13 54.88 2wpw s LEU 248 Cb -0.28 -2.94 0.63 0.00 0.50 0.00 0.00 46.19 44.10 2wpw s LEU 248 CO 0.34 -1.75 1.70 0.00 -1.32 0.00 0.00 176.35 175.32 2wpw h ALA 249 N 10.96 0.92 0.00 5.97 0.00 0.71 -3.45 119.26 134.38 2wpw h ALA 249 Ca -0.27 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2wpw h ALA 249 Cb 1.08 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2wpw h ALA 249 CO 1.20 0.38 0.00 0.41 0.00 0.00 0.00 179.25 181.24 2wpw n GLY 250 N 0.51 1.30 3.64 0.00 0.00 -1.19 -0.92 105.19 108.54 2wpw n GLY 250 Ca 0.01 -0.72 -0.11 0.00 0.00 0.00 0.00 46.02 45.19 2wpw n GLY 250 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2wpw s TYR 251 N -2.00 0.54 0.18 1.61 1.13 -0.62 -0.88 117.35 117.31 2wpw s TYR 251 Ca 0.00 -0.97 -0.09 0.00 -1.41 0.00 0.00 57.07 54.60 2wpw s TYR 251 Cb 0.00 0.34 -0.01 0.00 -1.10 0.00 0.00 41.96 41.19 2wpw s TYR 251 CO 0.00 -1.28 0.31 -0.08 -2.51 0.00 0.00 175.55 171.99 2wpw s THR 252 N -2.98 0.05 0.19 -3.49 -1.32 -0.92 -1.31 115.64 105.87 2wpw s THR 252 Ca 0.23 -1.40 -0.10 0.00 -1.21 0.00 0.00 61.69 59.20 2wpw s THR 252 Cb -0.02 -1.92 -0.01 0.00 -1.51 0.00 0.00 72.50 69.04 2wpw s THR 252 CO 0.15 -0.23 0.35 -0.94 -2.21 0.00 0.00 174.62 171.74 2wpw s SER 253 N -2.98 -0.02 -0.09 8.08 1.04 -1.26 -2.54 113.70 115.93 2wpw s SER 253 Ca 0.19 -0.89 -0.07 0.00 0.48 0.00 0.00 55.95 55.66 2wpw s SER 253 Cb 0.03 0.49 0.03 0.00 0.10 0.00 0.00 66.02 66.67 2wpw s SER 253 CO 0.02 -0.98 0.22 -0.69 0.98 0.00 0.00 173.24 172.79 2wpw s VAL 254 N -3.99 -0.01 -0.07 5.02 1.01 -0.77 -0.02 120.40 121.57 2wpw s VAL 254 Ca 0.20 0.04 0.04 0.00 0.00 0.00 0.00 61.98 62.25 2wpw s VAL 254 Cb 0.02 -0.32 -0.02 0.00 0.00 0.00 0.00 36.38 36.06 2wpw s VAL 254 CO 0.03 0.02 -0.17 -0.55 0.00 0.00 0.00 175.10 174.42 2wpw s SER 255 N 0.40 3.72 -0.14 3.32 0.15 -0.41 -0.52 113.70 120.22 2wpw s SER 255 Ca -0.02 -0.33 -0.01 0.00 0.70 0.00 0.00 55.95 56.29 2wpw s SER 255 Cb -0.04 -1.00 0.04 0.00 -1.71 0.00 0.00 66.02 63.31 2wpw s SER 255 CO -0.02 0.27 -0.04 -0.75 1.20 0.00 0.00 173.24 173.91 2wpw s LYS 256 N -0.31 1.23 0.60 5.44 2.36 0.15 -0.79 119.74 128.42 2wpw s LYS 256 Ca 0.02 -0.34 -0.18 0.00 -2.55 0.00 0.00 55.97 52.92 2wpw s LYS 256 Cb -0.13 -1.75 -0.03 0.00 -1.05 0.00 0.00 37.83 34.87 2wpw s LYS 256 CO 0.02 -0.40 1.14 0.95 1.55 0.00 0.00 175.35 178.62 2wpw s THR 257 N 1.73 3.07 0.29 3.43 -4.23 -1.26 0.11 115.64 118.78 2wpw s THR 257 Ca 0.02 0.60 0.04 0.00 -1.18 0.00 0.00 61.69 61.17 2wpw s THR 257 Cb -0.14 -3.18 0.29 0.00 1.34 0.00 0.00 72.50 70.81 2wpw s THR 257 CO -0.07 -0.21 1.79 0.74 -0.54 0.00 0.00 174.62 176.33 2wpw h THR 258 N 0.69 0.77 -4.11 3.99 2.02 -1.74 -3.43 112.91 111.09 2wpw h THR 258 Ca -0.49 -0.28 -0.49 0.00 0.77 0.00 0.00 66.41 65.92 2wpw h THR 258 Cb 1.26 -0.12 0.06 0.00 -1.74 0.00 0.00 68.15 67.61 2wpw h THR 258 CO 0.55 0.15 0.31 -0.83 0.37 0.00 0.00 175.52 176.08 2wpw s GLY 259 N -3.64 1.61 -0.38 2.16 0.00 -1.26 -4.77 107.32 101.04 2wpw s GLY 259 Ca -0.12 -0.37 -0.09 0.00 0.00 0.00 0.00 44.72 44.15 2wpw s GLY 259 CO 0.80 -0.09 0.46 0.70 0.00 0.00 0.00 173.10 174.98 2wpw n ASN 260 N -2.71 -6.37 0.30 1.64 5.03 -1.26 -4.86 115.26 107.02 2wpw n ASN 260 Ca 0.05 0.28 0.16 0.00 0.87 0.00 0.00 54.58 55.94 2wpw n ASN 260 Cb 0.56 -4.23 0.94 0.00 -1.02 0.00 0.00 39.78 36.02 2wpw n ASN 260 CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.26 174.78 2wpw h PRO 261 N 1.18 0.00 -0.00 3.52 0.11 -1.90 -2.42 132.00 132.48 2wpw h PRO 261 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2wpw h PRO 261 Cb 0.81 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.92 2wpw h PRO 261 CO 0.17 0.03 -0.19 0.00 -0.21 0.00 0.00 178.00 177.79 2wpw n ALA 262 N -2.26 2.91 -2.49 -0.75 0.00 -1.26 -3.28 120.51 113.39 2wpw n ALA 262 Ca -0.03 -0.30 -0.30 0.00 0.00 0.00 0.00 53.44 52.81 2wpw n ALA 262 Cb 0.12 -1.26 -0.12 0.00 0.00 0.00 0.00 19.45 18.19 2wpw n ALA 262 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2wpw s TYR 263 N -2.60 2.58 0.19 0.00 2.02 -0.91 -0.30 117.35 118.33 2wpw s TYR 263 Ca 0.24 -0.24 -0.14 0.00 -0.37 0.00 0.00 57.07 56.56 2wpw s TYR 263 Cb 0.19 -1.41 0.01 0.00 -0.40 0.00 0.00 41.96 40.35 2wpw s TYR 263 CO 0.52 0.34 0.43 0.00 -1.57 0.00 0.00 175.55 175.27 2wpw s ALA 264 N -1.06 -0.52 -0.16 3.71 0.00 -0.47 -4.73 121.76 118.53 2wpw s ALA 264 Ca 0.17 -0.53 0.01 0.00 0.00 0.00 0.00 51.96 51.60 2wpw s ALA 264 Cb -0.11 0.87 0.01 0.00 0.00 0.00 0.00 23.12 23.89 2wpw s ALA 264 CO 0.09 -0.75 -0.17 -1.17 0.00 0.00 0.00 175.76 173.75 2wpw s LEU 265 N -2.92 2.33 -0.23 0.00 2.96 0.03 -1.67 118.68 119.18 2wpw s LEU 265 Ca 0.13 -0.54 -0.21 0.00 -0.22 0.00 0.00 54.13 53.30 2wpw s LEU 265 Cb 0.01 -1.53 -0.02 0.00 0.50 0.00 0.00 46.19 45.15 2wpw s LEU 265 CO -0.01 0.06 0.64 -1.58 -1.32 0.00 0.00 176.35 174.14 2wpw s GLN 266 N 0.97 4.16 0.00 1.98 2.00 0.12 -1.29 119.66 127.60 2wpw s GLN 266 Ca -0.03 0.60 0.00 0.00 -2.00 0.00 0.00 55.36 53.93 2wpw s GLN 266 Cb -0.15 -3.62 0.00 0.00 0.80 0.00 0.00 33.01 30.04 2wpw s GLN 266 CO -0.04 -0.34 0.00 0.41 -0.50 0.00 0.00 175.29 174.82 2wpw n GLY 267 N 3.98 1.05 3.24 2.59 0.00 0.97 -4.57 105.19 112.45 2wpw n GLY 267 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 2wpw n GLY 267 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wpw s THR 269 N 0.24 -0.48 -0.10 2.61 2.01 -1.26 -4.64 115.64 114.02 2wpw s THR 269 Ca 0.00 0.16 0.01 0.00 0.31 0.00 0.00 61.69 62.17 2wpw s THR 269 Cb 0.00 -0.63 -0.02 0.00 0.01 0.00 0.00 72.50 71.86 2wpw s THR 269 CO 0.00 0.07 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.17 2wpw s VAL 270 N 2.31 2.99 -0.09 3.82 1.01 -0.43 -5.00 120.40 125.01 2wpw s VAL 270 Ca -0.03 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.26 2wpw s VAL 270 Cb -0.11 -2.22 0.02 0.00 0.00 0.00 0.00 36.38 34.06 2wpw s VAL 270 CO -0.12 0.55 -0.13 -0.69 0.00 0.00 0.00 175.10 174.71 2wpw s VAL 271 N -0.01 1.27 0.30 2.92 1.01 -1.26 -1.59 120.40 123.05 2wpw s VAL 271 Ca -0.04 -0.52 -0.30 0.00 0.00 0.00 0.00 61.98 61.13 2wpw s VAL 271 Cb -0.14 -1.18 -0.12 0.00 0.00 0.00 0.00 36.38 34.93 2wpw s VAL 271 CO 0.04 0.39 1.46 1.57 0.00 0.00 0.00 175.10 178.57 2wpw n HIS 272 N 4.17 2.56 -0.43 5.22 -0.00 -0.09 -4.87 115.22 121.78 2wpw n HIS 272 Ca -0.19 0.39 0.38 0.00 0.46 0.00 0.00 57.72 58.76 2wpw n HIS 272 Cb 0.51 -2.51 0.65 0.00 -0.12 0.00 0.00 29.99 28.52 2wpw n HIS 272 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 2wpw n ARG 273 N 1.54 -0.04 0.00 1.57 1.74 -1.26 -0.45 116.66 119.76 2wpw n ARG 273 Ca 0.08 1.25 0.14 0.00 -0.77 0.00 0.00 57.85 58.54 2wpw n ARG 273 Cb 0.35 -2.42 0.46 0.00 -1.02 0.00 0.00 32.46 29.84 2wpw n ARG 273 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2wpw n GLU 274 N -4.78 1.54 -2.19 5.56 1.02 -1.26 -4.13 120.64 116.40 2wpw n GLU 274 Ca 0.39 -0.94 -0.21 0.00 -0.02 0.00 0.00 57.16 56.38 2wpw n GLU 274 Cb 1.48 -1.48 0.02 0.00 -0.02 0.00 0.00 31.44 31.44 2wpw n GLU 274 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2wpw n HIS 275 N 0.09 2.62 -3.59 -0.32 8.25 0.40 -5.05 115.22 117.62 2wpw n HIS 275 Ca 0.17 -2.33 -0.22 0.00 -0.26 0.00 0.00 57.72 55.08 2wpw n HIS 275 Cb 0.37 -0.30 -0.01 0.00 1.12 0.00 0.00 29.99 31.17 2wpw n HIS 275 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2wpw s ARG 276 N -3.61 3.38 0.00 -0.41 0.52 -1.25 -4.55 118.95 113.04 2wpw s ARG 276 Ca 0.47 -0.60 0.00 0.00 -0.52 0.00 0.00 55.73 55.08 2wpw s ARG 276 Cb 0.40 -2.76 0.00 0.00 0.52 0.00 0.00 34.95 33.10 2wpw s ARG 276 CO 0.00 0.21 0.00 0.41 0.02 0.00 0.00 175.30 175.95 2wpw n GLY 277 N -1.64 0.79 0.14 -3.53 0.00 -1.26 -4.93 105.19 94.76 2wpw n GLY 277 Ca -0.05 -0.22 0.02 0.00 0.00 0.00 0.00 46.02 45.77 2wpw n GLY 277 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2wpw n HIS 278 N -2.37 0.00 -1.90 1.61 8.25 -1.26 -4.98 115.22 114.58 2wpw n HIS 278 Ca 0.00 -0.36 -0.19 0.00 -0.26 0.00 0.00 57.72 56.91 2wpw n HIS 278 Cb 0.00 -0.06 -0.05 0.00 1.12 0.00 0.00 29.99 31.00 2wpw n HIS 278 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2wpw n ALA 279 N -0.47 -0.40 -0.24 -1.41 0.00 -1.26 -4.76 120.51 111.97 2wpw n ALA 279 Ca 0.04 0.24 0.04 0.00 0.00 0.00 0.00 53.44 53.75 2wpw n ALA 279 Cb 0.52 -1.96 0.28 0.00 0.00 0.00 0.00 19.45 18.28 2wpw n ALA 279 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2wpw h LEU 280 N 0.00 0.82 -0.29 0.00 4.07 -1.93 -1.63 115.31 116.35 2wpw h LEU 280 Ca -0.41 -0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.52 2wpw h LEU 280 Cb 1.27 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 42.82 2wpw h LEU 280 CO 0.55 0.55 0.08 1.23 -1.08 0.00 0.00 178.44 179.77 2wpw h GLY 281 N 0.94 0.49 1.23 0.83 0.00 -1.95 0.22 103.07 104.84 2wpw h GLY 281 Ca 0.33 -0.30 -0.15 0.00 0.00 0.00 0.00 47.33 47.22 2wpw h GLY 281 CO -0.10 0.28 -0.35 -0.84 0.00 0.00 0.00 176.54 175.52 2wpw h THR 282 N 0.31 1.28 -0.35 4.70 2.02 -1.94 -2.69 112.91 116.24 2wpw h THR 282 Ca 0.09 -1.52 0.06 0.00 0.77 0.00 0.00 66.41 65.82 2wpw h THR 282 Cb 0.26 1.36 -0.06 0.00 -1.74 0.00 0.00 68.15 67.98 2wpw h THR 282 CO -0.00 0.50 -0.00 0.25 0.37 0.00 0.00 175.52 176.64 2wpw h LEU 283 N 0.71 -0.14 0.12 2.58 5.85 -0.74 -0.57 115.31 123.12 2wpw h LEU 283 Ca 0.07 0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.88 2wpw h LEU 283 Cb 0.92 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 42.07 2wpw h LEU 283 CO 0.08 -0.04 -0.18 -0.07 -0.34 0.00 0.00 178.44 177.90 2wpw h LEU 284 N 0.10 -0.50 -0.15 2.25 4.07 -0.55 0.16 115.31 120.69 2wpw h LEU 284 Ca 0.17 0.06 0.04 0.00 0.08 0.00 0.00 57.88 58.22 2wpw h LEU 284 Cb 0.23 0.19 -0.04 0.00 1.08 0.00 0.00 40.66 42.12 2wpw h LEU 284 CO -0.28 -0.26 -0.08 0.11 -1.08 0.00 0.00 178.44 176.85 2wpw h LYS 285 N -0.36 -0.06 0.01 1.13 1.57 -1.40 -0.07 116.57 117.40 2wpw h LYS 285 Ca 0.02 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2wpw h LYS 285 Cb 0.37 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.69 2wpw h LYS 285 CO -0.09 -0.04 -0.01 -0.07 -0.57 0.00 0.00 179.45 178.67 2wpw h LEU 286 N -0.06 -0.02 -1.41 2.94 3.38 -0.95 -1.92 115.31 117.27 2wpw h LEU 286 Ca 0.09 -0.35 0.04 0.00 0.09 0.00 0.00 57.88 57.75 2wpw h LEU 286 Cb 0.19 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 2wpw h LEU 286 CO -0.19 0.34 0.44 0.00 0.09 0.00 0.00 178.44 179.11 2wpw h ALA 287 N 0.60 1.66 0.00 1.53 0.00 -0.62 -1.62 119.26 120.81 2wpw h ALA 287 Ca -0.00 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.72 2wpw h ALA 287 Cb 0.36 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2wpw h ALA 287 CO 0.00 0.26 -0.78 -0.97 0.00 0.00 0.00 179.25 177.77 2wpw h ASN 288 N 0.76 0.00 0.19 0.00 -0.00 -0.98 -1.75 115.58 113.81 2wpw h ASN 288 Ca 0.27 0.00 -0.01 0.00 -0.00 0.00 0.00 56.30 56.56 2wpw h ASN 288 Cb 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.43 2wpw h ASN 288 CO -0.08 0.78 -0.09 0.25 -0.00 0.00 0.00 177.43 178.29 2wpw h LEU 289 N 0.00 -0.21 -0.49 0.34 5.85 -0.54 0.55 115.31 120.80 2wpw h LEU 289 Ca -0.01 -0.16 0.09 0.00 0.84 0.00 0.00 57.88 58.64 2wpw h LEU 289 Cb 1.56 0.05 -0.10 0.00 0.37 0.00 0.00 40.66 42.55 2wpw h LEU 289 CO 0.10 0.04 -0.35 -0.08 -0.34 0.00 0.00 178.44 177.81 2wpw h GLU 290 N -0.47 -0.22 -0.72 1.25 4.81 -1.32 0.38 114.58 118.29 2wpw h GLU 290 Ca -0.03 0.01 0.14 0.00 -0.13 0.00 0.00 59.36 59.36 2wpw h GLU 290 Cb 0.36 0.05 -0.14 0.00 0.63 0.00 0.00 28.75 29.65 2wpw h GLU 290 CO 0.04 -0.14 -0.20 -0.92 -0.73 0.00 0.00 179.01 177.06 2wpw h TYR 291 N -0.22 -0.44 -0.32 0.92 3.20 -1.13 -2.39 116.97 116.58 2wpw h TYR 291 Ca 0.19 0.07 0.03 0.00 3.14 0.00 0.00 58.73 62.16 2wpw h TYR 291 Cb 0.55 0.30 -0.03 0.00 1.54 0.00 0.00 36.73 39.09 2wpw h TYR 291 CO -0.61 -0.32 0.12 0.28 -1.64 0.00 0.00 178.16 176.00 2wpw h VAL 292 N -0.01 0.93 0.00 1.81 2.07 0.11 -3.06 116.25 118.10 2wpw h VAL 292 Ca 0.34 -0.09 -0.11 0.00 0.82 0.00 0.00 66.70 67.65 2wpw h VAL 292 Cb 0.54 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 2wpw h VAL 292 CO -0.75 0.05 -0.54 -0.07 0.02 0.00 0.00 177.57 176.28 2wpw h LEU 293 N 0.27 0.00 -2.10 2.57 4.07 -0.66 0.15 115.31 119.61 2wpw h LEU 293 Ca 0.14 0.00 0.01 0.00 0.08 0.00 0.00 57.88 58.11 2wpw h LEU 293 Cb 0.10 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.84 2wpw h LEU 293 CO -0.13 0.54 0.02 -0.09 -1.08 0.00 0.00 178.44 177.70 2wpw h ARG 294 N 0.00 0.00 -0.00 1.13 2.43 -1.34 -1.78 114.38 114.82 2wpw h ARG 294 Ca -0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2wpw h ARG 294 Cb 1.10 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.65 2wpw h ARG 294 CO 0.07 0.00 -0.16 0.72 -1.51 0.00 0.00 179.97 179.09 2wpw n HIS 295 N -4.38 0.00 -2.85 2.20 8.25 -0.58 -4.68 115.22 113.19 2wpw n HIS 295 Ca -0.02 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.32 2wpw n HIS 295 Cb 0.12 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.24 2wpw n HIS 295 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 2wpw n GLU 296 N -0.47 1.08 0.09 -0.41 4.07 0.42 -4.98 120.64 120.44 2wpw n GLU 296 Ca 0.02 -3.18 0.20 0.00 -0.06 0.00 0.00 57.16 54.14 2wpw n GLU 296 Cb 0.13 -1.34 0.74 0.00 -0.06 0.00 0.00 31.44 30.91 2wpw n GLU 296 CO 0.00 0.00 0.00 -1.00 -0.06 0.00 0.00 177.13 176.07 2wpw h PRO 297 N 2.95 0.00 -0.00 5.31 0.13 -1.54 -0.44 132.00 138.41 2wpw h PRO 297 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 2wpw h PRO 297 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2wpw h PRO 297 CO 0.46 0.00 -0.03 0.39 -0.23 0.00 0.00 178.00 178.59 2wpw n GLU 298 N -3.70 0.52 -1.92 0.86 1.02 -1.26 -4.86 120.64 111.30 2wpw n GLU 298 Ca 0.07 -0.05 -0.42 0.00 -0.02 0.00 0.00 57.16 56.74 2wpw n GLU 298 Cb 0.62 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.52 2wpw n GLU 298 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2wpw s VAL 299 N -2.51 2.55 0.00 2.62 1.01 -0.17 -4.08 120.40 119.82 2wpw s VAL 299 Ca 0.30 0.41 0.00 0.00 0.00 0.00 0.00 61.98 62.69 2wpw s VAL 299 Cb 0.20 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 33.32 2wpw s VAL 299 CO 0.46 0.04 0.00 0.54 0.00 0.00 0.00 175.10 176.14 2wpw n ARG 300 N 3.59 0.81 -4.05 2.72 3.00 0.19 -4.91 116.66 118.01 2wpw n ARG 300 Ca 0.12 0.00 -0.33 0.00 -0.01 0.00 0.00 57.85 57.64 2wpw n ARG 300 Cb 0.38 -0.63 -0.15 0.00 0.00 0.00 0.00 32.46 32.07 2wpw n ARG 300 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2wpw s LEU 301 N -2.14 3.36 -0.10 0.55 1.43 0.59 0.15 118.68 122.53 2wpw s LEU 301 Ca 0.00 -1.29 0.03 0.00 -1.03 0.00 0.00 54.13 51.84 2wpw s LEU 301 Cb 0.00 -1.57 -0.01 0.00 0.03 0.00 0.00 46.19 44.64 2wpw s LEU 301 CO 0.00 -0.18 -0.19 -0.69 0.23 0.00 0.00 176.35 175.52 2wpw s VAL 302 N 1.15 2.50 0.14 -1.59 1.01 -0.59 -1.37 120.40 121.65 2wpw s VAL 302 Ca -0.07 -0.87 0.07 0.00 0.00 0.00 0.00 61.98 61.12 2wpw s VAL 302 Cb -0.19 -1.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.16 2wpw s VAL 302 CO -0.05 0.55 -0.07 -1.83 0.00 0.00 0.00 175.10 173.69 2wpw s GLU 303 N 0.23 2.19 0.21 2.72 -1.05 -0.67 -0.99 118.70 121.34 2wpw s GLU 303 Ca -0.13 -1.10 -0.15 0.00 -0.15 0.00 0.00 54.97 53.45 2wpw s GLU 303 Cb -0.16 -2.29 0.01 0.00 -0.44 0.00 0.00 34.13 31.25 2wpw s GLU 303 CO 0.07 0.48 0.48 -0.08 0.95 0.00 0.00 175.26 177.15 2wpw s THR 304 N -1.46 0.03 -0.06 1.83 -1.32 -0.79 0.14 115.64 114.01 2wpw s THR 304 Ca 0.24 -1.06 -0.04 0.00 -1.21 0.00 0.00 61.69 59.62 2wpw s THR 304 Cb -0.10 -1.80 0.03 0.00 -1.51 0.00 0.00 72.50 69.12 2wpw s THR 304 CO 0.15 -0.12 0.14 0.00 -2.21 0.00 0.00 174.62 172.58 2wpw s ALA 305 N -3.93 -0.29 0.28 11.08 0.00 -1.26 -0.68 121.76 126.95 2wpw s ALA 305 Ca 0.14 0.54 0.11 0.00 0.00 0.00 0.00 51.96 52.75 2wpw s ALA 305 Cb -0.00 -0.35 -0.05 0.00 0.00 0.00 0.00 23.12 22.72 2wpw s ALA 305 CO 0.01 -0.11 -0.17 -0.80 0.00 0.00 0.00 175.76 174.69 2wpw s ASN 306 N 0.67 3.41 0.12 0.00 0.01 -0.88 -4.90 114.94 113.37 2wpw s ASN 306 Ca -0.05 -1.06 -0.31 0.00 -0.71 0.00 0.00 52.86 50.73 2wpw s ASN 306 Cb -0.07 -0.27 -0.10 0.00 0.41 0.00 0.00 41.25 41.22 2wpw s ASN 306 CO -0.03 -0.04 1.80 0.00 -1.51 0.00 0.00 177.10 177.32 2wpw s ALA 307 N -2.62 3.76 0.26 0.60 0.00 -1.26 0.93 121.76 123.43 2wpw s ALA 307 Ca 0.29 1.42 0.35 0.00 0.00 0.00 0.00 51.96 54.03 2wpw s ALA 307 Cb -0.03 -3.75 1.83 0.00 0.00 0.00 0.00 23.12 21.17 2wpw s ALA 307 CO 0.14 -1.20 2.07 1.05 0.00 0.00 0.00 175.76 177.82 2wpw h GLU 308 N 8.50 0.00 -0.04 0.00 4.11 -0.61 -2.28 114.58 124.26 2wpw h GLU 308 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.98 2wpw h GLU 308 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2wpw h GLU 308 CO 0.95 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.63 2wpw n ASP 309 N -2.79 1.27 -3.74 3.06 3.85 -1.26 -4.51 116.55 112.43 2wpw n ASP 309 Ca -0.02 -1.47 -0.32 0.00 -0.71 0.00 0.00 54.79 52.27 2wpw n ASP 309 Cb 0.10 -0.02 -0.07 0.00 -1.35 0.00 0.00 41.12 39.79 2wpw n ASP 309 CO 0.00 0.00 0.00 -3.20 -1.01 0.00 0.00 177.20 172.99 2wpw n ASN 310 N 0.01 4.26 -0.30 -1.12 2.85 -0.86 -4.96 115.26 115.14 2wpw n ASN 310 Ca 0.19 -3.34 0.06 0.00 -0.11 0.00 0.00 54.58 51.38 2wpw n ASN 310 Cb 0.30 -0.87 0.27 0.00 1.24 0.00 0.00 39.78 40.72 2wpw n ASN 310 CO 0.00 0.00 0.00 0.45 -2.11 0.00 0.00 177.26 175.60 2wpw h HIS 311 N 4.96 1.00 0.00 1.20 3.86 -1.84 -3.09 115.15 121.24 2wpw h HIS 311 Ca 0.19 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.42 2wpw h HIS 311 Cb 0.70 -0.32 0.00 0.00 1.06 0.00 0.00 27.41 28.84 2wpw h HIS 311 CO 0.77 0.48 0.00 -2.30 0.86 0.00 0.00 177.93 177.74 2wpw n PRO 312 N -4.52 0.06 0.00 2.45 -0.02 -1.26 -0.33 135.00 131.38 2wpw n PRO 312 Ca 0.15 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 2wpw n PRO 312 Cb 0.28 -1.03 0.00 0.00 -0.02 0.00 0.00 33.50 32.72 2wpw n PRO 312 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2wpw n ILE 314 N 0.47 0.00 -0.05 4.25 5.41 -1.17 -0.21 119.36 128.06 2wpw n ILE 314 Ca 0.00 0.00 -0.14 0.00 1.00 0.00 0.00 62.75 63.61 2wpw n ILE 314 Cb 0.02 0.00 -0.07 0.00 -0.71 0.00 0.00 39.64 38.87 2wpw n ILE 314 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2wpw h ALA 315 N 0.00 0.23 -0.58 -1.39 0.00 -0.97 -0.71 119.26 115.84 2wpw h ALA 315 Ca 0.00 -0.41 0.10 0.00 0.00 0.00 0.00 54.91 54.60 2wpw h ALA 315 Cb 0.00 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 17.67 2wpw h ALA 315 CO 0.00 0.25 0.15 0.28 0.00 0.00 0.00 179.25 179.92 2wpw h VAL 316 N 0.07 0.69 -0.90 0.00 2.07 -0.86 0.84 116.25 118.15 2wpw h VAL 316 Ca 0.00 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 2wpw h VAL 316 Cb 0.89 0.37 -0.04 0.00 -1.52 0.00 0.00 31.29 30.99 2wpw h VAL 316 CO 0.07 0.05 0.53 0.78 0.02 0.00 0.00 177.57 179.02 2wpw h ASN 317 N 0.29 1.08 -0.64 0.57 -0.26 -1.75 -2.98 115.58 111.90 2wpw h ASN 317 Ca 0.30 -0.07 -0.05 0.00 -0.56 0.00 0.00 56.30 55.92 2wpw h ASN 317 Cb 0.42 -0.27 -0.03 0.00 -1.06 0.00 0.00 38.32 37.38 2wpw h ASN 317 CO -0.36 0.84 0.20 0.00 -1.06 0.00 0.00 177.43 177.04 2wpw h ALA 318 N 1.35 0.83 0.00 -0.83 0.00 0.34 -0.96 119.26 119.99 2wpw h ALA 318 Ca 0.32 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2wpw h ALA 318 Cb -0.04 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.50 2wpw h ALA 318 CO -0.06 0.51 0.20 0.00 0.00 0.00 0.00 179.25 179.89 2wpw h ALA 319 N 1.07 1.19 -0.30 0.00 0.00 -0.75 1.62 119.26 122.10 2wpw h ALA 319 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2wpw h ALA 319 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2wpw h ALA 319 CO -0.01 -0.19 0.00 1.28 0.00 0.00 0.00 179.25 180.33 2wpw n LEU 320 N -2.89 3.31 0.00 0.00 4.32 -0.43 -4.97 117.00 116.34 2wpw n LEU 320 Ca -0.02 -1.39 0.00 0.00 -0.02 0.00 0.00 56.01 54.58 2wpw n LEU 320 Cb 0.25 -0.19 0.00 0.00 -1.62 0.00 0.00 43.42 41.86 2wpw n LEU 320 CO 0.15 0.68 0.00 0.61 -1.22 0.00 0.00 177.39 177.61 2wpw n GLY 321 N 1.42 0.70 3.70 -0.72 0.00 0.55 -4.54 105.19 106.30 2wpw n GLY 321 Ca 0.18 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 2wpw n GLY 321 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wpw s PHE 322 N -2.00 3.22 -0.03 1.61 0.40 -0.81 -4.48 117.98 115.89 2wpw s PHE 322 Ca 0.00 1.16 -0.01 0.00 -0.60 0.00 0.00 56.93 57.48 2wpw s PHE 322 Cb 0.00 -3.48 -0.04 0.00 0.51 0.00 0.00 43.02 40.02 2wpw s PHE 322 CO 0.00 -1.55 0.06 -1.21 0.70 0.00 0.00 175.22 173.22 2wpw s GLU 323 N 1.78 3.06 -0.08 0.44 2.02 0.36 -4.13 118.70 122.15 2wpw s GLU 323 Ca 0.59 -0.44 -0.30 0.00 0.02 0.00 0.00 54.97 54.84 2wpw s GLU 323 Cb -0.28 -2.86 -0.05 0.00 0.10 0.00 0.00 34.13 31.04 2wpw s GLU 323 CO 0.26 0.67 1.55 -2.14 0.02 0.00 0.00 175.26 175.61 2wpw s PRO 324 N -1.46 4.20 -0.03 0.39 0.02 -1.26 0.24 135.00 137.10 2wpw s PRO 324 Ca 0.20 2.05 -0.08 0.00 0.02 0.00 0.00 61.00 63.19 2wpw s PRO 324 Cb -0.12 -3.91 -0.03 0.00 0.02 0.00 0.00 34.50 30.47 2wpw s PRO 324 CO 0.10 -0.80 -0.15 0.98 -0.33 0.00 0.00 177.00 176.80 2wpw n TYR 325 N 6.91 0.00 -4.28 6.54 9.36 -0.17 -4.82 117.16 130.71 2wpw n TYR 325 Ca 0.16 0.00 -0.17 0.00 3.32 0.00 0.00 57.90 61.21 2wpw n TYR 325 Cb 0.43 -0.21 -0.09 0.00 -0.63 0.00 0.00 39.34 38.84 2wpw n TYR 325 CO 0.00 0.00 0.00 0.16 0.22 0.00 0.00 176.86 177.24 2wpw s ASP 326 N -5.81 1.20 -0.17 2.98 1.47 -1.15 -4.15 116.67 111.04 2wpw s ASP 326 Ca -0.12 -1.58 0.01 0.00 1.18 0.00 0.00 52.55 52.03 2wpw s ASP 326 Cb 0.02 0.45 0.02 0.00 -0.34 0.00 0.00 42.92 43.07 2wpw s ASP 326 CO 0.18 -0.94 -0.17 -0.60 0.68 0.00 0.00 175.17 174.32 2wpw s ARG 327 N -3.78 2.70 -0.95 2.11 3.52 0.22 -1.43 118.95 121.33 2wpw s ARG 327 Ca 0.38 -0.72 -0.18 0.00 -0.13 0.00 0.00 55.73 55.09 2wpw s ARG 327 Cb 0.05 -2.38 0.15 0.00 -1.56 0.00 0.00 34.95 31.21 2wpw s ARG 327 CO 0.20 -0.22 1.11 -1.58 -0.81 0.00 0.00 175.30 174.00 2wpw s TRP 328 N 1.37 3.25 0.11 5.12 0.52 -0.38 -0.37 118.94 128.56 2wpw s TRP 328 Ca 0.05 -1.55 -0.23 0.00 0.02 0.00 0.00 56.10 54.38 2wpw s TRP 328 Cb -0.13 -4.23 -0.07 0.00 -1.15 0.00 0.00 33.47 27.90 2wpw s TRP 328 CO -0.12 -1.41 0.71 0.08 0.02 0.00 0.00 176.95 176.23 2wpw s VAL 329 N 2.23 4.57 -0.15 4.03 1.01 -0.42 -1.59 120.40 130.08 2wpw s VAL 329 Ca 0.32 1.54 -0.11 0.00 0.00 0.00 0.00 61.98 63.72 2wpw s VAL 329 Cb -0.05 -4.06 -0.05 0.00 0.00 0.00 0.00 36.38 32.22 2wpw s VAL 329 CO -0.09 0.49 0.22 -0.36 0.00 0.00 0.00 175.10 175.36 2wpw s PHE 330 N -0.85 3.51 0.17 5.22 0.08 -1.26 -0.35 117.98 124.50 2wpw s PHE 330 Ca 0.34 0.54 0.08 0.00 0.12 0.00 0.00 56.93 58.01 2wpw s PHE 330 Cb -0.21 -2.18 -0.04 0.00 -0.57 0.00 0.00 43.02 40.01 2wpw s PHE 330 CO 0.23 0.42 -0.17 -1.58 -0.10 0.00 0.00 175.22 174.02 2wpw s TRP 331 N -0.09 1.79 0.09 0.36 0.52 0.00 -0.42 118.94 121.19 2wpw s TRP 331 Ca 0.14 -0.49 0.01 0.00 0.02 0.00 0.00 56.10 55.79 2wpw s TRP 331 Cb -0.12 -0.88 -0.04 0.00 -1.15 0.00 0.00 33.47 31.27 2wpw s TRP 331 CO 0.03 0.33 -0.06 0.95 0.02 0.00 0.00 176.95 178.22 2wpw s THR 332 N -2.19 0.61 0.16 2.01 -4.23 -0.88 -1.23 115.64 109.89 2wpw s THR 332 Ca 0.17 -1.84 -0.21 0.00 -1.18 0.00 0.00 61.69 58.63 2wpw s THR 332 Cb -0.05 -1.56 0.06 0.00 1.34 0.00 0.00 72.50 72.28 2wpw s THR 332 CO 0.07 -0.85 0.55 0.00 -0.54 0.00 0.00 174.62 173.85 2wpw s ALA 333 N -3.47 -1.37 0.15 3.99 0.00 -0.05 -1.29 121.76 119.72 2wpw s ALA 333 Ca 0.09 0.27 -0.25 0.00 0.00 0.00 0.00 51.96 52.07 2wpw s ALA 333 Cb 0.04 0.84 -0.08 0.00 0.00 0.00 0.00 23.12 23.93 2wpw s ALA 333 CO -0.05 -0.76 0.77 -1.21 0.00 0.00 0.00 175.76 174.51 2wpw s GLU 334 N -3.78 4.54 0.35 0.00 2.02 -1.26 0.35 118.70 120.93 2wpw s GLU 334 Ca 0.03 1.13 0.08 0.00 0.02 0.00 0.00 54.97 56.22 2wpw s GLU 334 Cb -0.01 -3.27 0.67 0.00 0.10 0.00 0.00 34.13 31.62 2wpw s GLU 334 CO -0.11 0.54 1.85 0.00 0.02 0.00 0.00 175.26 177.56 2wpw h ALA 335 N 4.50 1.38 0.00 5.21 0.00 0.52 -3.44 119.26 127.42 2wpw h ALA 335 Ca -0.47 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.18 2wpw h ALA 335 Cb 1.21 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2wpw h ALA 335 CO 0.66 0.43 0.00 0.41 0.00 0.00 0.00 179.25 180.75 2wpw n GLY 336 N -0.69 -0.52 3.79 0.00 0.00 -1.26 -4.83 105.19 101.69 2wpw n GLY 336 Ca -0.01 -1.79 -0.35 0.00 0.00 0.00 0.00 46.02 43.87 2wpw n GLY 336 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2wpw s PRO 337 N -1.08 4.22 0.00 1.61 0.04 -1.26 -4.93 135.00 133.60 2wpw s PRO 337 Ca 0.00 1.34 0.30 0.00 0.04 0.00 0.00 61.00 62.68 2wpw s PRO 337 Cb 0.00 -2.43 1.41 0.00 0.04 0.00 0.00 34.50 33.52 2wpw s PRO 337 CO 0.00 -0.07 1.96 0.43 0.04 0.00 0.00 177.00 179.36 2wpw n SER 338 N -0.22 0.48 0.00 6.66 7.64 -1.26 -5.12 113.62 121.80 2wpw n SER 338 Ca 0.06 -0.82 0.00 0.00 1.01 0.00 0.00 58.87 59.11 2wpw n SER 338 Cb 0.51 -0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 2wpw n SER 338 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50