#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wpw s LEU 8 N 0.00 4.23 -0.18 4.31 1.43 -1.26 -4.26 118.68 122.95 2wpw s LEU 8 Ca 0.00 0.94 -0.04 0.00 -1.03 0.00 0.00 54.13 54.00 2wpw s LEU 8 Cb 0.00 -2.90 -0.02 0.00 0.03 0.00 0.00 46.19 43.30 2wpw s LEU 8 CO 0.00 -0.15 -0.04 -0.70 0.23 0.00 0.00 176.35 175.69 2wpw s GLU 9 N 1.22 3.56 -0.27 1.70 2.12 -0.42 -4.93 118.70 121.67 2wpw s GLU 9 Ca 0.31 -0.56 -0.13 0.00 0.36 0.00 0.00 54.97 54.95 2wpw s GLU 9 Cb -0.16 -2.94 -0.04 0.00 0.26 0.00 0.00 34.13 31.24 2wpw s GLU 9 CO 0.13 0.08 0.27 -0.06 -0.54 0.00 0.00 175.26 175.14 2wpw s PHE 10 N 0.77 3.25 -0.05 5.30 0.08 -1.26 -0.23 117.98 125.83 2wpw s PHE 10 Ca -0.02 0.27 0.01 0.00 0.12 0.00 0.00 56.93 57.32 2wpw s PHE 10 Cb -0.15 -2.45 0.02 0.00 -0.57 0.00 0.00 43.02 39.88 2wpw s PHE 10 CO 0.02 -0.15 -0.07 0.08 -0.10 0.00 0.00 175.22 175.00 2wpw s VAL 11 N 1.78 0.71 0.19 -0.44 1.01 0.59 -4.98 120.40 119.25 2wpw s VAL 11 Ca 0.11 -0.22 -0.32 0.00 0.00 0.00 0.00 61.98 61.55 2wpw s VAL 11 Cb -0.16 -0.71 -0.15 0.00 0.00 0.00 0.00 36.38 35.36 2wpw s VAL 11 CO 0.10 0.27 1.17 -2.65 0.00 0.00 0.00 175.10 173.98 2wpw n PRO 12 N 4.05 1.24 -3.04 2.72 -0.02 -1.26 0.19 135.00 138.88 2wpw n PRO 12 Ca -0.23 0.44 -0.41 0.00 -2.02 0.00 0.00 63.50 61.28 2wpw n PRO 12 Cb 0.51 -1.94 -0.05 0.00 -0.02 0.00 0.00 33.50 32.00 2wpw n PRO 12 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2wpw s LEU 13 N 0.61 4.13 -0.03 2.45 2.96 -0.45 -4.71 118.68 123.64 2wpw s LEU 13 Ca 0.72 0.91 0.05 0.00 -0.22 0.00 0.00 54.13 55.58 2wpw s LEU 13 Cb -0.82 -3.00 -0.01 0.00 0.50 0.00 0.00 46.19 42.86 2wpw s LEU 13 CO 0.53 -0.35 -0.18 0.00 -1.32 0.00 0.00 176.35 175.03 2wpw s ALA 14 N 2.20 1.51 0.44 5.97 0.00 -1.26 -4.78 121.76 125.84 2wpw s ALA 14 Ca 0.31 -0.74 0.11 0.00 0.00 0.00 0.00 51.96 51.64 2wpw s ALA 14 Cb -0.16 -0.44 0.96 0.00 0.00 0.00 0.00 23.12 23.49 2wpw s ALA 14 CO 0.10 0.33 2.03 0.00 0.00 0.00 0.00 175.76 178.22 2wpw h ALA 15 N 5.95 1.72 -0.79 0.00 0.00 -1.96 -1.71 119.26 122.47 2wpw h ALA 15 Ca -0.35 -0.09 -0.28 0.00 0.00 0.00 0.00 54.91 54.19 2wpw h ALA 15 Cb 1.16 -0.08 -0.17 0.00 0.00 0.00 0.00 17.79 18.70 2wpw h ALA 15 CO 0.48 0.22 0.35 0.27 0.00 0.00 0.00 179.25 180.57 2wpw n ASN 16 N -4.42 4.58 -4.11 0.00 6.94 -1.26 -4.67 115.26 112.32 2wpw n ASN 16 Ca -0.00 -3.32 -0.37 0.00 -0.02 0.00 0.00 54.58 50.87 2wpw n ASN 16 Cb 0.15 -0.77 -0.08 0.00 -2.36 0.00 0.00 39.78 36.72 2wpw n ASN 16 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 2wpw s ASP 17 N -1.12 5.58 0.21 0.53 3.68 -0.65 -4.98 116.67 119.92 2wpw s ASP 17 Ca 0.56 -3.14 -0.09 0.00 2.13 0.00 0.00 52.55 52.00 2wpw s ASP 17 Cb 0.45 -1.90 0.27 0.00 -1.45 0.00 0.00 42.92 40.30 2wpw s ASP 17 CO 0.13 -0.32 1.77 0.44 0.13 0.00 0.00 175.17 177.32 2wpw h ASP 18 N 6.72 0.40 0.33 -0.34 3.45 -1.85 -1.41 116.42 123.73 2wpw h ASP 18 Ca 0.05 0.06 -0.02 0.00 0.43 0.00 0.00 57.03 57.55 2wpw h ASP 18 Cb 0.91 -0.01 0.00 0.00 -0.56 0.00 0.00 39.33 39.67 2wpw h ASP 18 CO 0.76 0.24 -0.16 -0.08 -1.57 0.00 0.00 179.24 178.43 2wpw h GLU 19 N 0.55 -0.43 -0.42 3.56 4.81 -1.97 -1.34 114.58 119.34 2wpw h GLU 19 Ca 0.31 0.03 0.07 0.00 -0.13 0.00 0.00 59.36 59.64 2wpw h GLU 19 Cb 0.30 0.10 -0.06 0.00 0.63 0.00 0.00 28.75 29.72 2wpw h GLU 19 CO -0.25 -0.12 0.07 1.15 -0.73 0.00 0.00 179.01 179.13 2wpw h THR 20 N -0.76 0.75 -0.56 0.32 2.02 -1.93 -1.77 112.91 110.99 2wpw h THR 20 Ca -0.05 -0.07 0.04 0.00 0.77 0.00 0.00 66.41 67.11 2wpw h THR 20 Cb 0.51 0.55 -0.03 0.00 -1.74 0.00 0.00 68.15 67.43 2wpw h THR 20 CO 0.08 0.04 0.37 0.58 0.37 0.00 0.00 175.52 176.95 2wpw h VAL 21 N 0.19 1.05 -0.22 3.16 2.07 -1.27 0.48 116.25 121.71 2wpw h VAL 21 Ca 0.21 -0.21 -0.09 0.00 0.82 0.00 0.00 66.70 67.43 2wpw h VAL 21 Cb 0.27 0.38 -0.00 0.00 -1.52 0.00 0.00 31.29 30.41 2wpw h VAL 21 CO -0.29 0.11 -0.20 1.23 0.02 0.00 0.00 177.57 178.44 2wpw h GLY 22 N 0.61 0.58 1.95 2.17 0.00 -0.54 -0.91 103.07 106.93 2wpw h GLY 22 Ca 0.23 -0.58 -0.04 0.00 0.00 0.00 0.00 47.33 46.94 2wpw h GLY 22 CO -0.06 0.52 -0.15 1.46 0.00 0.00 0.00 176.54 178.32 2wpw h GLN 23 N 0.22 0.06 -0.14 4.80 4.20 -0.73 -0.88 115.11 122.64 2wpw h GLN 23 Ca 0.04 -0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.69 2wpw h GLN 23 Cb 0.75 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.51 2wpw h GLN 23 CO 0.05 0.21 -0.11 2.35 -0.67 0.00 0.00 178.83 180.66 2wpw h TRP 24 N 0.06 0.38 -0.98 2.96 7.01 -0.72 -0.45 115.95 124.22 2wpw h TRP 24 Ca 0.01 -0.11 0.06 0.00 2.11 0.00 0.00 58.89 60.96 2wpw h TRP 24 Cb 0.30 -0.08 -0.07 0.00 -2.10 0.00 0.00 29.16 27.21 2wpw h TRP 24 CO 0.00 0.70 0.63 -0.07 -2.79 0.00 0.00 178.44 176.91 2wpw h LEU 25 N -0.04 1.02 -0.06 0.65 3.38 -0.85 -3.01 115.31 116.39 2wpw h LEU 25 Ca 0.03 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 2wpw h LEU 25 Cb 0.62 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.16 2wpw h LEU 25 CO 0.03 0.65 -0.19 -0.78 0.09 0.00 0.00 178.44 178.24 2wpw h ASP 26 N 1.16 0.27 0.00 -0.43 -0.00 -1.08 -1.93 116.42 114.41 2wpw h ASP 26 Ca 0.42 -0.61 0.00 0.00 -0.00 0.00 0.00 57.03 56.84 2wpw h ASP 26 Cb 0.15 -0.08 0.00 0.00 -0.00 0.00 0.00 39.33 39.40 2wpw h ASP 26 CO -0.17 0.84 0.00 -0.11 -0.00 0.00 0.00 179.24 179.80 2wpw n LEU 27 N -4.56 0.00 0.00 2.28 7.94 -0.19 -0.35 117.00 122.13 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 0.42 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.37 2wpw n LEU 27 CO 0.39 0.00 0.00 0.00 -1.11 0.00 0.00 177.39 176.67 2wpw n ALA 29 N 0.25 0.00 0.14 1.96 0.00 -0.73 -0.70 120.51 121.44 2wpw n ALA 29 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 2wpw n ALA 29 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 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 -0.28 -0.83 0.00 5.85 -0.97 -3.08 115.31 116.01 2wpw h LEU 30 Ca 0.00 -0.12 0.19 0.00 0.84 0.00 0.00 57.88 58.79 2wpw h LEU 30 Cb 0.00 0.07 -0.12 0.00 0.37 0.00 0.00 40.66 40.99 2wpw h LEU 30 CO 0.00 -0.04 0.30 0.00 -0.34 0.00 0.00 178.44 178.36 2wpw h ALA 31 N 0.18 1.22 0.00 1.25 0.00 -1.15 -2.05 119.26 118.71 2wpw h ALA 31 Ca -0.03 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 2wpw h ALA 31 Cb 0.39 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 2wpw h ALA 31 CO 0.06 -0.32 -0.10 0.00 0.00 0.00 0.00 179.25 178.88 2wpw h ALA 32 N 1.66 1.19 0.00 0.00 0.00 -1.79 -2.30 119.26 118.02 2wpw h ALA 32 Ca 0.49 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.29 2wpw h ALA 32 Cb 0.88 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 2wpw h ALA 32 CO -0.51 0.13 -0.07 0.93 0.00 0.00 0.00 179.25 179.72 2wpw h GLU 33 N 0.00 0.00 0.00 0.00 5.08 -1.39 -2.42 114.58 115.85 2wpw h GLU 33 Ca -0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 2wpw h GLU 33 Cb 0.37 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.56 2wpw h GLU 33 CO 0.01 0.07 -0.45 0.25 -1.00 0.00 0.00 179.01 177.89 2wpw n THR 34 N -4.36 1.66 -1.96 1.13 -2.24 -0.90 -5.06 114.28 102.55 2wpw n THR 34 Ca -0.03 -2.46 0.00 0.00 -2.27 0.00 0.00 64.05 59.30 2wpw n THR 34 Cb 0.15 -0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.38 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 -0.89 1.03 3.54 3.38 0.00 -0.91 -5.09 105.19 106.24 2wpw n GLY 35 Ca 0.15 -1.96 -0.29 0.00 0.00 0.00 0.00 46.02 43.92 2wpw n GLY 35 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2wpw s PRO 36 N -0.45 -0.94 0.08 1.61 0.02 -1.26 -4.92 135.00 129.13 2wpw s PRO 36 Ca 0.00 0.41 -0.31 0.00 0.02 0.00 0.00 61.00 61.12 2wpw s PRO 36 Cb 0.00 -1.59 -0.07 0.00 0.02 0.00 0.00 34.50 32.86 2wpw s PRO 36 CO 0.00 -3.63 1.37 0.50 -0.33 0.00 0.00 177.00 174.91 2wpw s ARG 37 N -4.91 4.32 -0.00 5.54 3.52 -1.26 -4.96 118.95 121.20 2wpw s ARG 37 Ca 0.68 2.01 -0.30 0.00 -0.13 0.00 0.00 55.73 58.00 2wpw s ARG 37 Cb -0.18 -3.35 0.10 0.00 -1.56 0.00 0.00 34.95 29.97 2wpw s ARG 37 CO 0.60 -0.45 1.09 0.00 -0.81 0.00 0.00 175.30 175.73 2wpw s ALA 38 N 1.44 -1.95 0.35 6.12 0.00 -1.26 -5.11 121.76 121.35 2wpw s ALA 38 Ca 0.64 0.80 -0.27 0.00 0.00 0.00 0.00 51.96 53.12 2wpw s ALA 38 Cb -0.35 0.35 -0.09 0.00 0.00 0.00 0.00 23.12 23.03 2wpw s ALA 38 CO 0.29 -0.87 1.20 0.00 0.00 0.00 0.00 175.76 176.38 2wpw s ALA 39 N -2.82 3.33 0.79 0.00 0.00 -1.26 -4.96 121.76 116.84 2wpw s ALA 39 Ca 0.11 1.06 -0.11 0.00 0.00 0.00 0.00 51.96 53.02 2wpw s ALA 39 Cb 0.01 -3.40 0.07 0.00 0.00 0.00 0.00 23.12 19.79 2wpw s ALA 39 CO -0.03 -0.49 1.09 -2.14 0.00 0.00 0.00 175.76 174.19 2wpw s PRO 40 N -1.93 2.12 0.45 0.00 0.02 -1.26 -4.91 135.00 129.48 2wpw s PRO 40 Ca 0.51 1.12 -0.24 0.00 0.02 0.00 0.00 61.00 62.41 2wpw s PRO 40 Cb -0.34 -1.88 -0.09 0.00 0.02 0.00 0.00 34.50 32.20 2wpw s PRO 40 CO 0.44 -1.73 1.05 -2.30 -0.33 0.00 0.00 177.00 174.14 2wpw n PRO 41 N -3.57 1.39 -4.02 5.54 -0.02 -1.26 -4.92 135.00 128.14 2wpw n PRO 41 Ca 0.09 0.50 -0.35 0.00 -2.02 0.00 0.00 63.50 61.72 2wpw n PRO 41 Cb 0.53 -2.13 -0.13 0.00 -0.02 0.00 0.00 33.50 31.76 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 7.62 0.03 -0.12 0.00 2.35 -1.99 -2.15 115.58 121.32 2wpw h ASN 43 Ca -0.37 -0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.34 2wpw h ASN 43 Cb 1.18 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 39.53 2wpw h ASN 43 CO 0.61 0.53 -0.03 0.58 -1.65 0.00 0.00 177.43 177.46 2wpw h VAL 44 N 0.02 1.29 0.00 2.81 2.07 -1.94 0.56 116.25 121.07 2wpw h VAL 44 Ca -0.00 -0.99 0.00 0.00 0.82 0.00 0.00 66.70 66.53 2wpw h VAL 44 Cb 0.90 1.70 0.00 0.00 -1.52 0.00 0.00 31.29 32.37 2wpw h VAL 44 CO 0.07 0.28 0.00 -0.67 0.02 0.00 0.00 177.57 177.27 2wpw n ASP 45 N -4.73 0.00 0.00 0.57 4.64 -0.81 -0.69 116.55 115.54 2wpw n ASP 45 Ca -0.06 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.35 2wpw n ASP 45 Cb 0.25 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.33 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 -0.34 0.00 0.15 5.18 0.31 0.19 -1.38 118.33 122.43 2wpw n VAL 47 Ca 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 64.34 64.35 2wpw n VAL 47 Cb 0.00 0.00 0.39 0.00 -0.91 0.00 0.00 33.84 33.32 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 0.16 2.00 2.92 0.00 -1.09 -1.62 103.07 105.44 2wpw h GLY 48 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.23 2wpw h GLY 48 CO 0.00 0.10 0.00 -1.14 0.00 0.00 0.00 176.54 175.50 2wpw n SER 49 N -4.22 0.11 -0.01 0.19 3.41 -0.48 -1.30 113.62 111.32 2wpw n SER 49 Ca -0.01 0.52 0.11 0.00 -0.26 0.00 0.00 58.87 59.23 2wpw n SER 49 Cb 0.31 -0.55 0.09 0.00 -0.26 0.00 0.00 64.21 63.81 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 -1.62 0.74 -0.06 1.04 4.77 -0.61 -4.42 117.00 116.84 2wpw n LEU 50 Ca 0.04 -0.22 -0.07 0.00 -0.03 0.00 0.00 56.01 55.72 2wpw n LEU 50 Cb 0.22 -0.14 -0.09 0.00 -2.33 0.00 0.00 43.42 41.08 2wpw n LEU 50 CO 0.17 0.18 -0.93 0.54 -1.33 0.00 0.00 177.39 176.03 2wpw n ARG 51 N -1.47 1.54 -3.99 3.23 1.74 -0.45 -4.68 116.66 112.59 2wpw n ARG 51 Ca 0.05 0.02 -0.31 0.00 -0.77 0.00 0.00 57.85 56.85 2wpw n ARG 51 Cb 0.33 -1.31 -0.16 0.00 -1.02 0.00 0.00 32.46 30.31 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 -2.30 2.48 0.30 -1.55 0.40 -0.42 -5.13 117.98 111.76 2wpw s PHE 52 Ca -0.10 -1.69 0.05 0.00 -0.60 0.00 0.00 56.93 54.58 2wpw s PHE 52 Cb 0.04 -1.65 -0.02 0.00 0.51 0.00 0.00 43.02 41.90 2wpw s PHE 52 CO 0.45 -0.76 0.44 0.00 0.70 0.00 0.00 175.22 176.05 2wpw s ALA 53 N 1.37 3.97 0.68 5.36 0.00 -1.26 -4.61 121.76 127.28 2wpw s ALA 53 Ca -0.03 -1.24 -0.13 0.00 0.00 0.00 0.00 51.96 50.56 2wpw s ALA 53 Cb -0.17 -1.79 0.01 0.00 0.00 0.00 0.00 23.12 21.17 2wpw s ALA 53 CO -0.07 0.09 1.09 -1.25 0.00 0.00 0.00 175.76 175.62 2wpw s PRO 54 N -4.12 2.73 0.78 0.00 0.04 -1.26 -4.93 135.00 128.24 2wpw s PRO 54 Ca 0.39 1.27 -0.12 0.00 0.04 0.00 0.00 61.00 62.58 2wpw s PRO 54 Cb -0.09 -1.95 0.07 0.00 0.04 0.00 0.00 34.50 32.56 2wpw s PRO 54 CO 0.31 -1.29 1.13 -1.25 0.04 0.00 0.00 177.00 175.94 2wpw s PRO 55 N -4.39 2.01 -1.57 0.56 0.04 -1.26 -3.26 135.00 127.12 2wpw s PRO 55 Ca 0.64 1.41 -0.09 0.00 0.04 0.00 0.00 61.00 62.99 2wpw s PRO 55 Cb -0.18 -1.85 0.08 0.00 0.04 0.00 0.00 34.50 32.58 2wpw s PRO 55 CO 0.46 -1.86 0.55 0.00 0.04 0.00 0.00 177.00 176.19 2wpw n ALA 56 N -3.38 -1.64 -3.43 8.56 0.00 -1.26 -4.93 120.51 114.43 2wpw n ALA 56 Ca 0.11 -0.16 -0.12 0.00 0.00 0.00 0.00 53.44 53.27 2wpw n ALA 56 Cb 0.52 -2.39 -0.12 0.00 0.00 0.00 0.00 19.45 17.47 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 -3.67 -0.02 -0.09 0.00 2.01 -1.20 -1.90 115.64 110.77 2wpw s THR 57 Ca 0.37 0.06 -0.02 0.00 0.31 0.00 0.00 61.69 62.41 2wpw s THR 57 Cb -0.20 -0.45 -0.03 0.00 0.01 0.00 0.00 72.50 71.83 2wpw s THR 57 CO 0.92 0.02 -0.01 0.00 -0.69 0.00 0.00 174.62 174.87 2wpw s ALA 58 N 0.69 3.22 -0.17 7.40 0.00 -0.95 -4.74 121.76 127.22 2wpw s ALA 58 Ca -0.04 -0.82 -0.08 0.00 0.00 0.00 0.00 51.96 51.02 2wpw s ALA 58 Cb -0.06 -1.46 -0.04 0.00 0.00 0.00 0.00 23.12 21.56 2wpw s ALA 58 CO -0.04 0.55 0.11 -0.51 0.00 0.00 0.00 175.76 175.86 2wpw s LEU 59 N -0.74 4.13 -0.39 0.00 1.43 -1.26 0.09 118.68 121.94 2wpw s LEU 59 Ca 0.11 0.26 0.03 0.00 -1.03 0.00 0.00 54.13 53.50 2wpw s LEU 59 Cb -0.12 -2.04 0.11 0.00 0.03 0.00 0.00 46.19 44.18 2wpw s LEU 59 CO 0.02 0.26 0.13 -0.62 0.23 0.00 0.00 176.35 176.36 2wpw s ASP 60 N -0.11 4.40 -0.09 2.29 -1.08 0.91 -4.98 116.67 118.01 2wpw s ASP 60 Ca 0.09 -2.31 -0.02 0.00 -0.52 0.00 0.00 52.55 49.80 2wpw s ASP 60 Cb -0.12 -1.42 -0.03 0.00 -1.46 0.00 0.00 42.92 39.89 2wpw s ASP 60 CO 0.00 -0.34 -0.01 -1.81 0.52 0.00 0.00 175.17 173.53 2wpw s ASP 61 N 0.70 5.12 0.03 -0.34 1.01 -1.26 -1.39 116.67 120.54 2wpw s ASP 61 Ca 0.13 0.10 -0.04 0.00 0.71 0.00 0.00 52.55 53.45 2wpw s ASP 61 Cb -0.21 -1.47 -0.01 0.00 1.01 0.00 0.00 42.92 42.24 2wpw s ASP 61 CO -0.08 0.35 0.06 0.26 0.21 0.00 0.00 175.17 175.96 2wpw s TRP 62 N -0.74 0.23 0.16 4.23 0.52 0.79 -1.35 118.94 122.79 2wpw s TRP 62 Ca 0.11 -0.53 0.08 0.00 0.02 0.00 0.00 56.10 55.79 2wpw s TRP 62 Cb -0.12 -0.17 -0.04 0.00 -1.15 0.00 0.00 33.47 31.99 2wpw s TRP 62 CO 0.02 -0.31 -0.17 0.08 0.02 0.00 0.00 176.95 176.58 2wpw s VAL 63 N -2.31 1.74 -0.05 4.03 1.01 0.13 -0.72 120.40 124.24 2wpw s VAL 63 Ca -0.08 -1.90 0.05 0.00 0.00 0.00 0.00 61.98 60.06 2wpw s VAL 63 Cb -0.03 -1.81 -0.01 0.00 0.00 0.00 0.00 36.38 34.54 2wpw s VAL 63 CO -0.03 -0.34 -0.21 0.54 0.00 0.00 0.00 175.10 175.05 2wpw s VAL 64 N -2.10 1.76 -0.05 2.92 0.11 0.47 -0.30 120.40 123.21 2wpw s VAL 64 Ca 0.15 -0.91 0.05 0.00 -2.93 0.00 0.00 61.98 58.34 2wpw s VAL 64 Cb -0.05 -1.50 -0.02 0.00 -1.53 0.00 0.00 36.38 33.28 2wpw s VAL 64 CO 0.06 0.50 -0.19 -0.13 -3.33 0.00 0.00 175.10 172.01 2wpw s ARG 65 N -0.10 2.51 -0.16 1.54 0.52 0.68 -0.37 118.95 123.57 2wpw s ARG 65 Ca -0.03 -0.78 0.01 0.00 -0.52 0.00 0.00 55.73 54.40 2wpw s ARG 65 Cb -0.12 -2.29 0.02 0.00 0.52 0.00 0.00 34.95 33.08 2wpw s ARG 65 CO 0.03 0.53 -0.15 0.45 0.02 0.00 0.00 175.30 176.17 2wpw s SER 66 N -0.50 2.84 -1.40 0.23 0.15 0.13 -1.31 113.70 113.84 2wpw s SER 66 Ca 0.06 -0.55 -0.00 0.00 0.70 0.00 0.00 55.95 56.16 2wpw s SER 66 Cb -0.12 -1.26 0.00 0.00 -1.71 0.00 0.00 66.02 62.94 2wpw s SER 66 CO 0.01 -0.05 0.44 0.61 1.20 0.00 0.00 173.24 175.46 2wpw n GLY 67 N 4.73 -0.23 2.55 9.45 0.00 -1.26 -2.02 105.19 118.41 2wpw n GLY 67 Ca -0.18 0.14 -0.04 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.94 0.56 3.45 -0.02 0.00 -1.26 -4.99 105.19 100.98 2wpw n GLY 68 Ca -0.31 -0.13 -0.31 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.83 2.18 -0.07 1.61 0.52 -0.86 -5.06 118.95 115.44 2wpw s ARG 69 Ca 0.00 -0.90 -0.29 0.00 -0.52 0.00 0.00 55.73 54.01 2wpw s ARG 69 Cb 0.00 -2.22 -0.07 0.00 0.52 0.00 0.00 34.95 33.18 2wpw s ARG 69 CO 0.00 0.56 1.97 0.08 0.02 0.00 0.00 175.30 177.93 2wpw s VAL 70 N -0.84 3.15 -0.45 3.52 1.01 -1.26 0.18 120.40 125.70 2wpw s VAL 70 Ca 0.13 0.17 0.06 0.00 0.00 0.00 0.00 61.98 62.35 2wpw s VAL 70 Cb -0.10 -3.14 -0.03 0.00 0.00 0.00 0.00 36.38 33.11 2wpw s VAL 70 CO 0.03 -0.04 0.39 1.33 0.00 0.00 0.00 175.10 176.81 2wpw n VAL 71 N 6.26 0.00 -3.62 2.92 0.24 0.50 -4.91 118.33 119.72 2wpw n VAL 71 Ca 0.22 -0.40 -0.03 0.00 -2.04 0.00 0.00 64.34 62.09 2wpw n VAL 71 Cb 0.43 1.04 -0.01 0.00 -1.47 0.00 0.00 33.84 33.82 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 -1.29 -0.35 0.05 7.63 0.00 -1.05 0.00 107.32 112.32 2wpw s GLY 72 Ca 0.04 0.82 0.03 0.00 0.00 0.00 0.00 44.72 45.61 2wpw s GLY 72 CO 0.20 0.23 -0.10 0.00 0.00 0.00 0.00 173.10 173.44 2wpw s ALA 73 N -2.81 0.77 -0.07 3.20 0.00 0.49 -0.39 121.76 122.95 2wpw s ALA 73 Ca 0.10 -0.86 0.02 0.00 0.00 0.00 0.00 51.96 51.22 2wpw s ALA 73 Cb 0.01 0.01 0.01 0.00 0.00 0.00 0.00 23.12 23.15 2wpw s ALA 73 CO -0.04 0.02 -0.12 -1.17 0.00 0.00 0.00 175.76 174.45 2wpw s LEU 74 N -1.71 1.66 -0.08 0.00 2.96 0.10 -1.07 118.68 120.54 2wpw s LEU 74 Ca -0.07 -0.30 0.01 0.00 -0.22 0.00 0.00 54.13 53.56 2wpw s LEU 74 Cb -0.09 -0.83 0.02 0.00 0.50 0.00 0.00 46.19 45.78 2wpw s LEU 74 CO 0.01 0.04 -0.11 -0.13 -1.32 0.00 0.00 176.35 174.84 2wpw s ARG 75 N 0.65 1.64 0.07 1.98 0.52 0.61 -0.15 118.95 124.26 2wpw s ARG 75 Ca -0.14 -0.36 0.07 0.00 -0.52 0.00 0.00 55.73 54.78 2wpw s ARG 75 Cb -0.16 -1.46 -0.04 0.00 0.52 0.00 0.00 34.95 33.81 2wpw s ARG 75 CO 0.04 -0.07 -0.15 -0.51 0.02 0.00 0.00 175.30 174.63 2wpw s LEU 76 N 1.02 2.81 -0.19 2.53 1.43 -0.49 -1.03 118.68 124.76 2wpw s LEU 76 Ca -0.08 -0.41 -0.02 0.00 -1.03 0.00 0.00 54.13 52.60 2wpw s LEU 76 Cb -0.15 -1.64 -0.00 0.00 0.03 0.00 0.00 46.19 44.43 2wpw s LEU 76 CO -0.00 0.22 -0.10 0.00 0.23 0.00 0.00 176.35 176.70 2wpw s ALA 77 N -1.05 2.67 -0.64 4.21 0.00 -0.18 -0.06 121.76 126.71 2wpw s ALA 77 Ca 0.17 -1.09 -0.06 0.00 0.00 0.00 0.00 51.96 50.98 2wpw s ALA 77 Cb -0.11 -1.46 0.17 0.00 0.00 0.00 0.00 23.12 21.72 2wpw s ALA 77 CO 0.09 -0.21 0.48 -0.51 0.00 0.00 0.00 175.76 175.60 2wpw s LEU 78 N 1.11 5.57 0.24 0.00 2.01 0.11 -1.79 118.68 125.93 2wpw s LEU 78 Ca 0.01 -2.70 -0.31 0.00 0.01 0.00 0.00 54.13 51.13 2wpw s LEU 78 Cb -0.14 -1.93 -0.13 0.00 0.01 0.00 0.00 46.19 43.99 2wpw s LEU 78 CO -0.02 -0.44 1.51 -2.65 1.01 0.00 0.00 176.35 175.75 2wpw n PRO 79 N 3.75 2.28 -1.69 1.29 -0.02 -1.26 -2.24 135.00 137.12 2wpw n PRO 79 Ca 0.07 0.82 -0.42 0.00 -2.02 0.00 0.00 63.50 61.94 2wpw n PRO 79 Cb 0.40 -2.54 -0.00 0.00 -0.02 0.00 0.00 33.50 31.34 2wpw n PRO 79 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2wpw n ASP 80 N 2.51 2.62 0.00 2.55 8.00 -0.80 -3.46 116.55 127.97 2wpw n ASP 80 Ca 0.12 1.19 0.00 0.00 0.71 0.00 0.00 54.79 56.81 2wpw n ASP 80 Cb 0.33 -1.47 0.00 0.00 -0.02 0.00 0.00 41.12 39.95 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 0.81 1.78 3.66 0.44 0.00 -1.26 -4.99 105.19 105.62 2wpw n GLY 81 Ca 0.05 -0.15 -0.30 0.00 0.00 0.00 0.00 46.02 45.61 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 1.29 -0.26 4.61 0.00 -1.22 -4.93 121.76 121.24 2wpw s ALA 82 Ca 0.00 0.38 0.14 0.00 0.00 0.00 0.00 51.96 52.47 2wpw s ALA 82 Cb 0.00 -3.37 0.81 0.00 0.00 0.00 0.00 23.12 20.56 2wpw s ALA 82 CO 0.00 -2.75 1.73 -0.35 0.00 0.00 0.00 175.76 174.39 2wpw n PRO 83 N -4.21 4.86 -4.43 0.00 -0.04 -1.26 -4.90 135.00 125.03 2wpw n PRO 83 Ca 0.10 -3.12 -0.25 0.00 -0.04 0.00 0.00 63.50 60.19 2wpw n PRO 83 Cb 0.53 -2.26 -0.10 0.00 -0.04 0.00 0.00 33.50 31.62 2wpw n PRO 83 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2wpw s THR 84 N -2.74 2.59 -0.10 0.52 -1.32 -1.26 -0.63 115.64 112.71 2wpw s THR 84 Ca 0.54 -2.21 -0.01 0.00 -1.21 0.00 0.00 61.69 58.80 2wpw s THR 84 Cb 0.41 -2.33 0.03 0.00 -1.51 0.00 0.00 72.50 69.10 2wpw s THR 84 CO 0.16 -0.30 -0.04 0.00 -2.21 0.00 0.00 174.62 172.22 2wpw s ALA 85 N -2.21 1.06 -0.18 11.08 0.00 -0.70 -4.39 121.76 126.41 2wpw s ALA 85 Ca 0.27 -0.37 -0.13 0.00 0.00 0.00 0.00 51.96 51.74 2wpw s ALA 85 Cb -0.06 -0.84 -0.05 0.00 0.00 0.00 0.00 23.12 22.17 2wpw s ALA 85 CO 0.14 -0.44 0.25 0.50 0.00 0.00 0.00 175.76 176.21 2wpw s ARG 86 N 1.82 4.22 -0.58 0.00 3.52 -0.74 -1.55 118.95 125.64 2wpw s ARG 86 Ca 0.05 -0.00 -0.23 0.00 -0.13 0.00 0.00 55.73 55.42 2wpw s ARG 86 Cb -0.12 -3.45 0.06 0.00 -1.56 0.00 0.00 34.95 29.87 2wpw s ARG 86 CO -0.07 0.20 0.89 0.08 -0.81 0.00 0.00 175.30 175.59 2wpw s VAL 87 N 0.60 4.46 -0.23 7.11 1.01 0.90 -1.01 120.40 133.25 2wpw s VAL 87 Ca 0.14 -0.11 0.19 0.00 0.00 0.00 0.00 61.98 62.20 2wpw s VAL 87 Cb -0.13 -4.55 0.05 0.00 0.00 0.00 0.00 36.38 31.75 2wpw s VAL 87 CO 0.03 -1.18 1.19 0.44 0.00 0.00 0.00 175.10 175.58 2wpw h ASP 88 N 9.34 0.00 -3.09 3.32 3.45 -1.39 -3.41 116.42 124.64 2wpw h ASP 88 Ca -0.27 0.00 -0.05 0.00 0.43 0.00 0.00 57.03 57.14 2wpw h ASP 88 Cb 1.08 0.00 -0.24 0.00 -0.56 0.00 0.00 39.33 39.61 2wpw h ASP 88 CO 1.10 0.28 -0.14 -1.58 -1.57 0.00 0.00 179.24 177.33 2wpw s GLN 89 N -3.12 0.55 -0.31 3.56 0.74 -1.06 -4.92 119.66 115.11 2wpw s GLN 89 Ca 0.01 1.02 -0.02 0.00 0.05 0.00 0.00 55.36 56.42 2wpw s GLN 89 Cb 0.08 0.07 0.11 0.00 1.10 0.00 0.00 33.01 34.37 2wpw s GLN 89 CO 0.76 -0.16 0.15 -1.17 -0.55 0.00 0.00 175.29 174.32 2wpw s LEU 90 N 1.55 0.97 -0.05 3.68 0.20 -1.25 -0.29 118.68 123.50 2wpw s LEU 90 Ca -0.10 -1.61 0.02 0.00 0.69 0.00 0.00 54.13 53.13 2wpw s LEU 90 Cb -0.07 -0.46 0.01 0.00 -0.43 0.00 0.00 46.19 45.24 2wpw s LEU 90 CO -0.16 -0.40 -0.09 -0.22 -0.29 0.00 0.00 176.35 175.19 2wpw s LEU 91 N 1.71 1.58 -0.10 -0.68 2.96 -0.23 -4.99 118.68 118.93 2wpw s LEU 91 Ca 0.12 -0.21 0.03 0.00 -0.22 0.00 0.00 54.13 53.85 2wpw s LEU 91 Cb -0.18 -0.61 -0.01 0.00 0.50 0.00 0.00 46.19 45.89 2wpw s LEU 91 CO -0.25 0.01 -0.20 -0.69 -1.32 0.00 0.00 176.35 173.91 2wpw s VAL 92 N 0.61 2.48 -0.17 1.68 1.01 -1.26 -0.38 120.40 124.37 2wpw s VAL 92 Ca -0.10 -0.88 -0.42 0.00 0.00 0.00 0.00 61.98 60.58 2wpw s VAL 92 Cb -0.13 -1.98 -0.20 0.00 0.00 0.00 0.00 36.38 34.07 2wpw s VAL 92 CO 0.02 0.55 1.28 1.57 0.00 0.00 0.00 175.10 178.51 2wpw n HIS 93 N 3.38 1.09 0.29 5.22 -0.00 0.10 -4.79 115.22 120.51 2wpw n HIS 93 Ca -0.18 1.05 0.04 0.00 0.46 0.00 0.00 57.72 59.09 2wpw n HIS 93 Cb 0.53 -2.16 0.17 0.00 -0.12 0.00 0.00 29.99 28.41 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 2.48 0.03 -0.04 1.57 -0.04 -1.26 -0.81 135.00 136.93 2wpw n PRO 94 Ca 0.24 0.32 0.12 0.00 -0.04 0.00 0.00 63.50 64.14 2wpw n PRO 94 Cb 0.04 -1.50 0.31 0.00 -0.04 0.00 0.00 33.50 32.31 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 -0.71 0.65 0.65 0.55 0.00 -1.26 -4.31 105.19 100.76 2wpw n GLY 95 Ca 0.02 -0.57 0.06 0.00 0.00 0.00 0.00 46.02 45.53 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 0.80 0.99 -2.12 1.61 5.12 0.01 -5.08 116.66 117.99 2wpw n ARG 96 Ca 0.17 -2.58 -0.31 0.00 -1.93 0.00 0.00 57.85 53.20 2wpw n ARG 96 Cb 0.47 -1.11 -0.01 0.00 -1.16 0.00 0.00 32.46 30.65 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 -2.08 3.72 -0.92 5.56 1.81 -1.24 -4.14 118.95 121.66 2wpw s ARG 97 Ca 0.31 0.78 -0.05 0.00 -1.72 0.00 0.00 55.73 55.05 2wpw s ARG 97 Cb 0.31 -2.12 0.01 0.00 -0.45 0.00 0.00 34.95 32.69 2wpw s ARG 97 CO -0.06 -0.43 0.79 0.54 -0.68 0.00 0.00 175.30 175.46 2wpw n ARG 98 N -2.29 -5.33 0.00 3.54 5.12 -1.26 -4.86 116.66 111.57 2wpw n ARG 98 Ca 0.06 0.58 0.00 0.00 -1.93 0.00 0.00 57.85 56.56 2wpw n ARG 98 Cb 0.54 -4.85 0.00 0.00 -1.16 0.00 0.00 32.46 26.99 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 -3.53 -0.41 0.00 5.56 1.74 -1.26 -4.99 116.66 113.76 2wpw n ARG 99 Ca -0.04 -0.34 0.00 0.00 -0.77 0.00 0.00 57.85 56.70 2wpw n ARG 99 Cb 0.56 -0.78 0.00 0.00 -1.02 0.00 0.00 32.46 31.22 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 -0.02 0.79 0.30 -0.13 0.00 -1.26 -5.02 105.19 99.85 2wpw n GLY 100 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 0.44 -0.64 -0.61 2.04 -1.94 -0.96 117.51 115.84 2wpw h ILE 101 Ca 0.00 -0.20 0.09 0.00 1.00 0.00 0.00 64.86 65.75 2wpw h ILE 101 Cb 0.00 0.53 -0.11 0.00 -0.74 0.00 0.00 36.82 36.50 2wpw h ILE 101 CO 0.00 0.03 -0.45 1.23 0.00 0.00 0.00 178.15 178.97 2wpw h GLY 102 N -0.85 -0.46 0.65 5.37 0.00 -1.95 0.12 103.07 105.96 2wpw h GLY 102 Ca -0.07 0.58 0.13 0.00 0.00 0.00 0.00 47.33 47.97 2wpw h GLY 102 CO 0.12 -0.15 0.54 -0.09 0.00 0.00 0.00 176.54 176.97 2wpw h ARG 103 N -0.20 0.64 -0.02 4.80 2.43 -1.96 -0.59 114.38 119.48 2wpw h ARG 103 Ca 0.19 -0.04 -0.17 0.00 -0.81 0.00 0.00 59.98 59.15 2wpw h ARG 103 Cb 0.56 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.95 2wpw h ARG 103 CO -0.73 0.42 -0.74 0.00 -1.51 0.00 0.00 179.97 177.41 2wpw h ALA 104 N 1.61 0.72 -0.35 2.80 0.00 0.50 -1.41 119.26 123.12 2wpw h ALA 104 Ca 0.41 -0.64 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 2wpw h ALA 104 Cb 0.65 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2wpw h ALA 104 CO -0.17 0.85 -0.10 -0.07 0.00 0.00 0.00 179.25 179.76 2wpw h LEU 105 N 0.10 0.58 -0.06 0.00 3.38 0.56 -2.36 115.31 117.50 2wpw h LEU 105 Ca -0.02 -0.15 -0.13 0.00 0.09 0.00 0.00 57.88 57.67 2wpw h LEU 105 Cb 1.30 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 41.91 2wpw h LEU 105 CO 0.11 0.72 -0.48 -0.25 0.09 0.00 0.00 178.44 178.63 2wpw h TRP 106 N 0.55 0.59 -0.89 1.13 2.91 -0.73 0.74 115.95 120.24 2wpw h TRP 106 Ca 0.10 -0.28 0.15 0.00 1.13 0.00 0.00 58.89 59.99 2wpw h TRP 106 Cb 0.50 -0.08 -0.10 0.00 -0.51 0.00 0.00 29.16 28.97 2wpw h TRP 106 CO 0.02 1.06 0.49 0.00 -1.03 0.00 0.00 178.44 178.98 2wpw h ALA 107 N 0.41 1.37 -0.46 2.65 0.00 -1.24 0.13 119.26 122.12 2wpw h ALA 107 Ca -0.04 0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 2wpw h ALA 107 Cb 1.15 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 2wpw h ALA 107 CO 0.10 -0.05 -0.23 1.25 0.00 0.00 0.00 179.25 180.32 2wpw h HIS 108 N 0.69 1.08 0.26 0.00 -0.00 -0.95 -1.46 115.15 114.77 2wpw h HIS 108 Ca 0.49 -0.26 -0.00 0.00 -0.00 0.00 0.00 60.37 60.59 2wpw h HIS 108 Cb 0.68 -0.25 -0.01 0.00 -0.00 0.00 0.00 27.41 27.83 2wpw h HIS 108 CO -0.07 1.07 -0.19 0.00 -0.00 0.00 0.00 177.93 178.74 2wpw h ALA 109 N 0.92 -0.43 -0.18 5.26 0.00 0.40 0.49 119.26 125.72 2wpw h ALA 109 Ca 0.10 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2wpw h ALA 109 Cb 0.79 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 2wpw h ALA 109 CO 0.07 -0.76 -0.03 0.00 0.00 0.00 0.00 179.25 178.53 2wpw h ARG 110 N -0.45 0.27 -0.32 0.00 3.08 -0.88 0.13 114.38 116.21 2wpw h ARG 110 Ca -0.02 -0.04 -0.13 0.00 0.07 0.00 0.00 59.98 59.86 2wpw h ARG 110 Cb 0.39 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 2wpw h ARG 110 CO 0.00 0.32 -0.31 1.49 -1.07 0.00 0.00 179.97 180.41 2wpw h GLU 111 N 0.26 0.69 -0.41 0.04 4.81 -0.79 -1.25 114.58 117.94 2wpw h GLU 111 Ca 0.06 -0.31 -0.14 0.00 -0.13 0.00 0.00 59.36 58.84 2wpw h GLU 111 Cb 0.23 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 2wpw h GLU 111 CO 0.01 0.91 -0.29 -0.07 -0.73 0.00 0.00 179.01 178.85 2wpw h LEU 112 N 0.59 0.92 0.16 1.64 3.38 0.12 -1.43 115.31 120.70 2wpw h LEU 112 Ca 0.07 -0.37 0.01 0.00 0.09 0.00 0.00 57.88 57.68 2wpw h LEU 112 Cb 0.82 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 2wpw h LEU 112 CO 0.07 1.14 -0.25 0.00 0.09 0.00 0.00 178.44 179.49 2wpw h ALA 113 N 0.92 -0.46 -0.66 1.53 0.00 -0.80 -2.03 119.26 117.76 2wpw h ALA 113 Ca 0.09 -0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.05 2wpw h ALA 113 Cb 0.85 0.39 -0.08 0.00 0.00 0.00 0.00 17.79 18.95 2wpw h ALA 113 CO 0.07 -0.80 0.25 0.00 0.00 0.00 0.00 179.25 178.78 2wpw h ARG 114 N -0.48 0.41 -0.67 0.00 3.08 -1.20 -0.35 114.38 115.17 2wpw h ARG 114 Ca 0.02 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.07 2wpw h ARG 114 Cb 0.49 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.41 2wpw h ARG 114 CO -0.12 0.27 0.44 -0.22 -1.07 0.00 0.00 179.97 179.28 2wpw h LYS 115 N 0.43 0.83 -0.62 0.04 3.64 -0.84 -1.66 116.57 118.38 2wpw h LYS 115 Ca 0.34 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.67 2wpw h LYS 115 Cb 0.45 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 2wpw h LYS 115 CO -0.34 0.55 0.00 0.72 -2.27 0.00 0.00 179.45 178.11 2wpw n HIS 116 N -4.45 1.12 -2.50 1.91 8.25 -0.69 -4.92 115.22 113.94 2wpw n HIS 116 Ca 0.08 -0.46 -0.11 0.00 -0.26 0.00 0.00 57.72 56.96 2wpw n HIS 116 Cb 0.09 -0.17 0.01 0.00 1.12 0.00 0.00 29.99 31.04 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 0.92 -3.80 -4.59 0.41 10.43 -0.62 -5.01 116.55 114.29 2wpw n ASP 117 Ca 0.20 -0.10 -0.32 0.00 2.57 0.00 0.00 54.79 57.14 2wpw n ASP 117 Cb 0.69 -2.81 -0.11 0.00 1.84 0.00 0.00 41.12 40.74 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 -4.93 2.54 -0.02 -1.24 3.00 -0.23 -4.82 118.95 113.25 2wpw s ARG 118 Ca 0.10 -0.72 0.15 0.00 0.00 0.00 0.00 55.73 55.26 2wpw s ARG 118 Cb -0.05 -2.49 -0.22 0.00 0.00 0.00 0.00 34.95 32.19 2wpw s ARG 118 CO 0.13 0.60 0.38 0.25 0.00 0.00 0.00 175.30 176.66 2wpw n THR 119 N 1.59 0.00 -4.28 0.02 -2.24 0.20 -3.84 114.28 105.73 2wpw n THR 119 Ca -0.16 -0.31 -0.17 0.00 -2.27 0.00 0.00 64.05 61.15 2wpw n THR 119 Cb 0.53 0.31 -0.10 0.00 -2.10 0.00 0.00 70.33 68.96 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 -2.91 1.41 -0.02 4.28 -4.23 -1.20 0.38 115.64 113.35 2wpw s THR 120 Ca -0.03 -2.01 0.05 0.00 -1.18 0.00 0.00 61.69 58.52 2wpw s THR 120 Cb 0.10 -1.82 -0.03 0.00 1.34 0.00 0.00 72.50 72.09 2wpw s THR 120 CO 0.61 -0.59 -0.16 -0.76 -0.54 0.00 0.00 174.62 173.18 2wpw s LEU 121 N -3.00 2.64 0.15 4.79 1.02 0.20 -1.72 118.68 122.76 2wpw s LEU 121 Ca 0.16 -0.28 0.10 0.00 0.02 0.00 0.00 54.13 54.13 2wpw s LEU 121 Cb -0.01 -1.53 -0.04 0.00 0.02 0.00 0.00 46.19 44.63 2wpw s LEU 121 CO 0.03 0.32 -0.23 0.42 0.02 0.00 0.00 176.35 176.92 2wpw s THR 122 N -0.77 2.03 0.01 5.49 -4.23 -0.59 -0.81 115.64 116.76 2wpw s THR 122 Ca 0.12 -1.80 -0.20 0.00 -1.18 0.00 0.00 61.69 58.64 2wpw s THR 122 Cb -0.11 -1.87 0.04 0.00 1.34 0.00 0.00 72.50 71.91 2wpw s THR 122 CO 0.02 -0.10 0.43 0.00 -0.54 0.00 0.00 174.62 174.43 2wpw s ALA 123 N -1.46 -1.09 -0.15 3.99 0.00 -0.96 -0.07 121.76 122.02 2wpw s ALA 123 Ca 0.14 0.51 -0.11 0.00 0.00 0.00 0.00 51.96 52.50 2wpw s ALA 123 Cb -0.09 0.20 -0.05 0.00 0.00 0.00 0.00 23.12 23.18 2wpw s ALA 123 CO 0.07 -0.38 0.23 0.99 0.00 0.00 0.00 175.76 176.66 2wpw s THR 124 N -1.86 5.35 -0.03 0.00 2.01 -1.26 -1.23 115.64 118.61 2wpw s THR 124 Ca -0.09 0.40 0.05 0.00 0.31 0.00 0.00 61.69 62.36 2wpw s THR 124 Cb -0.02 -3.55 -0.01 0.00 0.01 0.00 0.00 72.50 68.93 2wpw s THR 124 CO 0.02 0.47 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.56 2wpw s VAL 125 N 0.01 1.40 -0.23 3.82 1.01 0.14 -4.89 120.40 121.66 2wpw s VAL 125 Ca 0.14 -0.72 -0.20 0.00 0.00 0.00 0.00 61.98 61.19 2wpw s VAL 125 Cb -0.13 -1.19 -0.02 0.00 0.00 0.00 0.00 36.38 35.05 2wpw s VAL 125 CO 0.03 0.40 0.62 -0.69 0.00 0.00 0.00 175.10 175.46 2wpw s VAL 126 N -0.16 5.01 0.28 2.92 1.01 -1.26 -0.05 120.40 128.15 2wpw s VAL 126 Ca 0.01 1.15 0.05 0.00 0.00 0.00 0.00 61.98 63.19 2wpw s VAL 126 Cb -0.09 -3.93 -0.02 0.00 0.00 0.00 0.00 36.38 32.33 2wpw s VAL 126 CO 0.01 0.07 0.20 -0.62 0.00 0.00 0.00 175.10 174.76 2wpw n GLU 127 N 5.37 0.40 -2.88 2.72 1.02 0.86 -4.78 120.64 123.35 2wpw n GLU 127 Ca -0.01 -2.66 -0.32 0.00 -0.02 0.00 0.00 57.16 54.15 2wpw n GLU 127 Cb 0.49 2.01 -0.05 0.00 -0.02 0.00 0.00 31.44 33.87 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 -2.88 6.72 0.19 1.62 0.01 -1.26 -0.52 113.70 117.59 2wpw s SER 128 Ca 0.28 1.38 -0.24 0.00 1.31 0.00 0.00 55.95 58.68 2wpw s SER 128 Cb 0.01 -2.42 -0.08 0.00 0.21 0.00 0.00 66.02 63.74 2wpw s SER 128 CO 0.20 -0.35 0.78 -0.22 0.41 0.00 0.00 173.24 174.05 2wpw s LEU 129 N -3.42 4.51 0.38 2.44 2.96 -1.26 -4.51 118.68 119.78 2wpw s LEU 129 Ca 0.56 1.60 0.22 0.00 -0.22 0.00 0.00 54.13 56.29 2wpw s LEU 129 Cb -0.10 -3.42 1.34 0.00 0.50 0.00 0.00 46.19 44.52 2wpw s LEU 129 CO 0.22 0.15 1.59 -0.65 -1.32 0.00 0.00 176.35 176.33 2wpw h PRO 130 N 4.01 0.02 0.00 0.98 0.11 -1.98 -3.25 132.00 131.89 2wpw h PRO 130 Ca -0.47 -0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.49 2wpw h PRO 130 Cb 1.20 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 2wpw h PRO 130 CO 0.66 0.02 -1.55 0.45 -0.21 0.00 0.00 178.00 177.36 2wpw n SER 131 N -5.19 2.76 -3.73 -2.05 2.88 -1.26 -5.08 113.62 101.95 2wpw n SER 131 Ca 0.38 -0.02 -0.26 0.00 -1.33 0.00 0.00 58.87 57.64 2wpw n SER 131 Cb 1.29 -0.18 0.22 0.00 -0.75 0.00 0.00 64.21 64.79 2wpw n SER 131 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2wpw n GLY 132 N 2.91 -2.90 3.76 0.46 0.00 -1.23 -4.95 105.19 103.25 2wpw n GLY 132 Ca -0.18 -1.15 -0.39 0.00 0.00 0.00 0.00 46.02 44.30 2wpw n GLY 132 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2wpw s PRO 133 N -4.10 3.64 0.30 1.61 0.04 -1.26 -4.52 135.00 130.72 2wpw s PRO 133 Ca 0.54 2.26 -0.30 0.00 0.04 0.00 0.00 61.00 63.55 2wpw s PRO 133 Cb -0.12 -2.57 -0.12 0.00 0.04 0.00 0.00 34.50 31.73 2wpw s PRO 133 CO 0.51 -0.80 1.55 0.00 0.04 0.00 0.00 177.00 178.31 2wpw n ALA 134 N -0.32 2.36 -2.87 8.56 0.00 -1.26 -4.64 120.51 122.34 2wpw n ALA 134 Ca 0.06 0.37 -0.25 0.00 0.00 0.00 0.00 53.44 53.62 2wpw n ALA 134 Cb 0.43 -2.43 -0.04 0.00 0.00 0.00 0.00 19.45 17.41 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 -0.81 3.16 0.01 0.00 -1.52 -1.26 -5.04 119.66 114.20 2wpw s GLN 135 Ca 0.62 -0.77 -0.33 0.00 -1.95 0.00 0.00 55.36 52.93 2wpw s GLN 135 Cb -0.51 -2.78 -0.11 0.00 -0.22 0.00 0.00 33.01 29.39 2wpw s GLN 135 CO 0.52 0.49 1.86 -3.47 -0.25 0.00 0.00 175.29 174.43 2wpw n ASP 136 N -0.61 3.67 0.00 5.90 4.64 -1.26 -4.84 116.55 124.06 2wpw n ASP 136 Ca -0.08 0.97 0.15 0.00 -1.38 0.00 0.00 54.79 54.45 2wpw n ASP 136 Cb 0.55 -1.44 0.73 0.00 -1.04 0.00 0.00 41.12 39.92 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 6.30 0.35 0.03 -0.67 -0.04 -1.26 -4.36 135.00 135.34 2wpw n PRO 137 Ca 0.21 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.54 2wpw n PRO 137 Cb 0.33 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.23 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 4.98 -0.69 0.69 0.55 0.00 -1.95 -2.44 103.07 104.21 2wpw h GLY 138 Ca 0.00 0.49 0.11 0.00 0.00 0.00 0.00 47.33 47.93 2wpw h GLY 138 CO 0.00 -0.23 0.56 -2.55 0.00 0.00 0.00 176.54 174.31 2wpw h PRO 139 N -0.51 0.74 0.08 4.80 0.10 -1.90 -1.14 132.00 134.17 2wpw h PRO 139 Ca 0.07 -0.04 -0.00 0.00 0.10 0.00 0.00 66.00 66.12 2wpw h PRO 139 Cb 0.62 -0.17 -0.00 0.00 0.10 0.00 0.00 31.00 31.55 2wpw h PRO 139 CO -0.35 0.49 -0.05 0.00 0.10 0.00 0.00 178.00 178.19 2wpw h ALA 140 N 1.58 -0.12 -0.80 -0.75 0.00 -1.76 0.22 119.26 117.63 2wpw h ALA 140 Ca 0.41 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.28 2wpw h ALA 140 Cb 0.53 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 2wpw h ALA 140 CO -0.18 -0.57 0.42 0.00 0.00 0.00 0.00 179.25 178.92 2wpw h ALA 141 N 0.79 1.03 0.03 0.00 0.00 -0.95 0.22 119.26 120.39 2wpw h ALA 141 Ca -0.00 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.79 2wpw h ALA 141 Cb 0.12 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 2wpw h ALA 141 CO -0.00 0.57 -0.15 0.35 0.00 0.00 0.00 179.25 180.01 2wpw h PHE 142 N 1.12 -0.39 -0.40 0.00 3.57 -1.03 -0.38 116.94 119.44 2wpw h PHE 142 Ca 0.28 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.86 2wpw h PHE 142 Cb 0.07 0.17 -0.06 0.00 2.79 0.00 0.00 35.95 38.92 2wpw h PHE 142 CO 0.01 -0.22 0.05 0.00 -2.23 0.00 0.00 178.31 175.92 2wpw h ALA 143 N 0.65 0.41 0.00 2.41 0.00 -0.04 -0.07 119.26 122.61 2wpw h ALA 143 Ca 0.04 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 2wpw h ALA 143 Cb 0.31 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2wpw h ALA 143 CO -0.12 -0.35 -0.28 0.00 0.00 0.00 0.00 179.25 178.50 2wpw h ALA 144 N 1.31 1.25 0.00 0.00 0.00 -0.33 -2.40 119.26 119.09 2wpw h ALA 144 Ca 0.19 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 2wpw h ALA 144 Cb 0.25 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2wpw h ALA 144 CO -0.27 0.35 -0.02 0.00 0.00 0.00 0.00 179.25 179.30 2wpw n ALA 145 N -2.35 3.66 -1.22 0.00 0.00 -0.04 -4.25 120.51 116.31 2wpw n ALA 145 Ca -0.01 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2wpw n ALA 145 Cb 0.37 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.46 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 1.74 -2.04 3.87 0.00 0.00 -1.08 -5.08 105.19 102.59 2wpw n GLY 147 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 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 2.77 0.04 4.61 0.00 -0.93 -4.80 121.76 123.45 2wpw s ALA 148 Ca 0.00 -0.30 0.02 0.00 0.00 0.00 0.00 51.96 51.69 2wpw s ALA 148 Cb 0.00 -3.05 -0.02 0.00 0.00 0.00 0.00 23.12 20.05 2wpw s ALA 148 CO 0.00 -1.24 -0.08 -1.01 0.00 0.00 0.00 175.76 173.43 2wpw s HIS 149 N -3.31 0.66 0.24 0.00 3.76 0.03 -4.47 115.29 112.21 2wpw s HIS 149 Ca 0.59 -0.48 -0.30 0.00 -0.15 0.00 0.00 55.06 54.71 2wpw s HIS 149 Cb -0.12 -0.40 -0.10 0.00 1.11 0.00 0.00 32.58 33.08 2wpw s HIS 149 CO 0.52 -0.08 1.41 1.03 -0.85 0.00 0.00 174.74 176.78 2wpw s ARG 150 N -1.52 4.29 0.82 1.40 0.52 -1.26 -0.74 118.95 122.45 2wpw s ARG 150 Ca -0.10 2.26 -0.12 0.00 -0.52 0.00 0.00 55.73 57.25 2wpw s ARG 150 Cb -0.10 -3.12 0.09 0.00 0.52 0.00 0.00 34.95 32.34 2wpw s ARG 150 CO 0.00 -0.38 1.18 -1.54 0.02 0.00 0.00 175.30 174.58 2wpw s SER 151 N 0.33 4.36 0.00 0.23 1.04 0.57 -4.85 113.70 115.39 2wpw s SER 151 Ca 0.59 0.67 0.20 0.00 0.48 0.00 0.00 55.95 57.89 2wpw s SER 151 Cb -0.41 -1.12 0.71 0.00 0.10 0.00 0.00 66.02 65.30 2wpw s SER 151 CO 0.43 -1.97 1.53 -0.90 0.98 0.00 0.00 173.24 173.30 2wpw n ASP 152 N -3.33 1.76 -4.69 7.02 5.75 -1.26 -4.87 116.55 116.93 2wpw n ASP 152 Ca 0.09 -1.73 -0.42 0.00 -0.01 0.00 0.00 54.79 52.71 2wpw n ASP 152 Cb 0.61 -0.12 -0.03 0.00 -1.03 0.00 0.00 41.12 40.55 2wpw n ASP 152 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 2wpw s ILE 153 N -1.77 4.33 0.39 2.12 1.01 -1.26 -4.98 121.20 121.04 2wpw s ILE 153 Ca 0.32 1.65 -0.26 0.00 0.00 0.00 0.00 60.65 62.36 2wpw s ILE 153 Cb 0.17 -4.06 -0.11 0.00 0.01 0.00 0.00 42.46 38.47 2wpw s ILE 153 CO 0.26 0.02 1.22 -0.81 0.00 0.00 0.00 174.94 175.63 2wpw n PRO 154 N 4.98 1.87 -0.96 2.79 -0.04 -1.26 -4.68 135.00 137.70 2wpw n PRO 154 Ca 0.10 0.66 -0.29 0.00 -0.04 0.00 0.00 63.50 63.94 2wpw n PRO 154 Cb 0.47 -2.28 0.20 0.00 -0.04 0.00 0.00 33.50 31.85 2wpw n PRO 154 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wpw s ALA 155 N -1.17 0.57 -0.00 0.55 0.00 -1.26 -4.70 121.76 115.74 2wpw s ALA 155 Ca 0.59 -0.22 -0.21 0.00 0.00 0.00 0.00 51.96 52.12 2wpw s ALA 155 Cb -0.55 -3.18 -0.05 0.00 0.00 0.00 0.00 23.12 19.34 2wpw s ALA 155 CO 0.59 -3.12 0.61 0.20 0.00 0.00 0.00 175.76 174.05 2wpw s GLY 156 N -3.12 2.62 -0.41 0.00 0.00 -0.15 -1.08 107.32 105.17 2wpw s GLY 156 Ca 0.66 0.05 -0.21 0.00 0.00 0.00 0.00 44.72 45.22 2wpw s GLY 156 CO 0.60 0.78 0.67 -1.59 0.00 0.00 0.00 173.10 173.56 2wpw s THR 157 N -0.17 4.81 -0.19 0.90 2.01 0.29 -1.14 115.64 122.14 2wpw s THR 157 Ca 0.32 0.33 -0.14 0.00 0.31 0.00 0.00 61.69 62.51 2wpw s THR 157 Cb -0.18 -4.19 -0.04 0.00 0.01 0.00 0.00 72.50 68.09 2wpw s THR 157 CO 0.18 -0.53 0.29 -2.28 -0.69 0.00 0.00 174.62 171.59 2wpw s HIS 158 N 2.88 3.40 0.23 4.92 2.46 -0.74 -2.24 115.29 126.20 2wpw s HIS 158 Ca 0.25 0.51 0.07 0.00 0.47 0.00 0.00 55.06 56.36 2wpw s HIS 158 Cb -0.14 -2.38 -0.05 0.00 -0.13 0.00 0.00 32.58 29.88 2wpw s HIS 158 CO 0.18 0.12 -0.10 -0.65 -2.47 0.00 0.00 174.74 171.82 2wpw s GLN 159 N 0.87 1.39 -0.05 2.88 -0.21 -0.24 -1.00 119.66 123.31 2wpw s GLN 159 Ca 0.15 -1.65 0.01 0.00 0.02 0.00 0.00 55.36 53.89 2wpw s GLN 159 Cb -0.14 -1.07 0.02 0.00 1.00 0.00 0.00 33.01 32.82 2wpw s GLN 159 CO 0.05 0.11 -0.07 -1.58 -2.12 0.00 0.00 175.29 171.69 2wpw s TRP 160 N -3.03 0.95 -0.16 0.91 0.52 0.28 -2.88 118.94 115.52 2wpw s TRP 160 Ca 0.25 -0.30 -0.03 0.00 0.02 0.00 0.00 56.10 56.03 2wpw s TRP 160 Cb 0.01 -0.79 -0.02 0.00 -1.15 0.00 0.00 33.47 31.52 2wpw s TRP 160 CO 0.08 -0.22 -0.04 -1.17 0.02 0.00 0.00 176.95 175.62 2wpw s LEU 161 N 0.88 3.17 -0.29 2.99 2.96 -0.18 -0.25 118.68 127.96 2wpw s LEU 161 Ca -0.11 -0.18 0.01 0.00 -0.22 0.00 0.00 54.13 53.62 2wpw s LEU 161 Cb -0.15 -1.77 0.06 0.00 0.50 0.00 0.00 46.19 44.84 2wpw s LEU 161 CO 0.01 0.14 -0.04 -0.62 -1.32 0.00 0.00 176.35 174.52 2wpw s ASP 162 N 0.52 4.69 0.04 3.68 -1.08 -1.26 -1.67 116.67 121.60 2wpw s ASP 162 Ca -0.03 -1.41 0.12 0.00 -0.52 0.00 0.00 52.55 50.70 2wpw s ASP 162 Cb -0.14 -1.63 0.52 0.00 -1.46 0.00 0.00 42.92 40.20 2wpw s ASP 162 CO 0.03 -0.24 1.38 0.18 0.52 0.00 0.00 175.17 177.03 2wpw n LEU 163 N 4.51 0.09 -0.25 -1.34 7.99 0.78 -1.13 117.00 127.65 2wpw n LEU 163 Ca -0.12 0.53 0.14 0.00 -0.01 0.00 0.00 56.01 56.54 2wpw n LEU 163 Cb 0.43 -0.52 0.52 0.00 -0.11 0.00 0.00 43.42 43.74 2wpw n LEU 163 CO 0.24 -0.37 0.80 0.47 -1.51 0.00 0.00 177.39 177.02 2wpw n ASP 164 N -1.60 0.91 -0.00 -1.43 10.43 -1.26 -3.97 116.55 119.63 2wpw n ASP 164 Ca 0.02 -0.95 0.02 0.00 2.57 0.00 0.00 54.79 56.45 2wpw n ASP 164 Cb 0.13 0.03 -0.03 0.00 1.84 0.00 0.00 41.12 43.09 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 -0.56 1.28 -3.65 -1.24 1.74 -0.28 -4.99 116.66 108.97 2wpw n ARG 165 Ca 0.15 -0.03 -0.04 0.00 -0.77 0.00 0.00 57.85 57.16 2wpw n ARG 165 Cb 0.31 -1.01 -0.06 0.00 -1.02 0.00 0.00 32.46 30.69 2wpw n ARG 165 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 2wpw s HIS 166 N -2.09 -1.17 -0.48 -1.55 2.46 -0.82 -5.07 115.29 106.57 2wpw s HIS 166 Ca -0.01 2.13 -0.15 0.00 0.47 0.00 0.00 55.06 57.50 2wpw s HIS 166 Cb 0.03 0.68 0.08 0.00 -0.13 0.00 0.00 32.58 33.24 2wpw s HIS 166 CO 0.17 -0.59 0.40 0.34 -2.47 0.00 0.00 174.74 172.59 2wpw s ASP 167 N 2.47 6.12 0.00 9.88 3.68 -1.26 -4.18 116.67 133.38 2wpw s ASP 167 Ca -0.07 -1.42 0.17 0.00 2.13 0.00 0.00 52.55 53.36 2wpw s ASP 167 Cb -0.10 -2.18 0.75 0.00 -1.45 0.00 0.00 42.92 39.94 2wpw s ASP 167 CO -0.18 -0.68 1.52 -0.81 0.13 0.00 0.00 175.17 175.15 2wpw n PRO 168 N 5.19 0.07 -0.34 4.34 -0.04 -1.26 -2.29 135.00 140.67 2wpw n PRO 168 Ca -0.13 0.19 0.11 0.00 -0.04 0.00 0.00 63.50 63.64 2wpw n PRO 168 Cb 0.43 -1.50 0.30 0.00 -0.04 0.00 0.00 33.50 32.69 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 -1.44 3.84 -0.31 1.53 4.32 -1.26 -4.53 117.00 119.14 2wpw n LEU 169 Ca 0.05 -1.95 -0.04 0.00 -0.02 0.00 0.00 56.01 54.04 2wpw n LEU 169 Cb 0.18 -0.45 0.08 0.00 -1.62 0.00 0.00 43.42 41.60 2wpw n LEU 169 CO 0.15 0.95 1.15 0.00 -1.22 0.00 0.00 177.39 178.42 2wpw h ALA 170 N 4.13 1.08 0.00 -1.18 0.00 -1.89 0.29 119.26 121.69 2wpw h ALA 170 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2wpw h ALA 170 Cb 0.97 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2wpw h ALA 170 CO 0.00 0.59 0.00 -0.25 0.00 0.00 0.00 179.25 179.59 2wpw n ASP 171 N -4.38 0.08 0.00 0.00 10.43 -1.26 -5.04 116.55 116.38 2wpw n ASP 171 Ca 0.08 0.51 0.00 0.00 2.57 0.00 0.00 54.79 57.96 2wpw n ASP 171 Cb 0.09 -0.53 0.00 0.00 1.84 0.00 0.00 41.12 42.52 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 0.52 -0.43 3.72 0.44 0.00 0.10 -4.88 105.19 104.66 2wpw n GLY 172 Ca 0.05 -1.79 -0.42 0.00 0.00 0.00 0.00 46.02 43.86 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 -1.37 4.29 0.81 1.61 1.01 -1.26 -4.82 120.40 120.67 2wpw s VAL 173 Ca 0.00 1.78 -0.14 0.00 0.00 0.00 0.00 61.98 63.62 2wpw s VAL 173 Cb 0.00 -4.14 0.06 0.00 0.00 0.00 0.00 36.38 32.31 2wpw s VAL 173 CO 0.00 0.21 1.04 -2.65 0.00 0.00 0.00 175.10 173.71 2wpw n PRO 174 N 3.23 0.16 -1.75 2.72 -0.02 -1.26 -4.94 135.00 133.14 2wpw n PRO 174 Ca 0.05 0.12 -0.42 0.00 -2.02 0.00 0.00 63.50 61.24 2wpw n PRO 174 Cb 0.48 -2.31 -0.02 0.00 -0.02 0.00 0.00 33.50 31.64 2wpw n PRO 174 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wpw n ALA 175 N -3.20 2.65 -2.24 3.55 0.00 -1.26 -4.97 120.51 115.04 2wpw n ALA 175 Ca 0.13 0.37 -0.42 0.00 0.00 0.00 0.00 53.44 53.52 2wpw n ALA 175 Cb 0.51 -2.48 -0.03 0.00 0.00 0.00 0.00 19.45 17.45 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 0.08 3.59 0.56 0.00 1.01 -1.26 -5.01 120.40 119.37 2wpw s VAL 176 Ca 0.65 1.10 -0.19 0.00 0.00 0.00 0.00 61.98 63.53 2wpw s VAL 176 Cb -0.49 -3.70 -0.05 0.00 0.00 0.00 0.00 36.38 32.14 2wpw s VAL 176 CO 0.47 0.06 1.14 -2.16 0.00 0.00 0.00 175.10 174.61 2wpw s PRO 177 N 1.54 3.23 0.24 2.72 0.04 -1.26 -4.94 135.00 136.57 2wpw s PRO 177 Ca 0.63 1.61 -0.31 0.00 0.04 0.00 0.00 61.00 62.97 2wpw s PRO 177 Cb -0.33 -1.99 -0.13 0.00 0.04 0.00 0.00 34.50 32.09 2wpw s PRO 177 CO 0.29 -0.95 1.47 0.00 0.04 0.00 0.00 177.00 177.85 2wpw n ALA 178 N -1.48 1.45 0.00 8.56 0.00 -1.26 -2.05 120.51 125.73 2wpw n ALA 178 Ca 0.12 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.97 2wpw n ALA 178 Cb 0.51 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.63 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 2.38 1.13 3.59 0.00 0.00 -1.26 -5.06 105.19 105.97 2wpw n GLY 179 Ca 0.12 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.30 2.68 0.16 1.61 1.51 -0.87 -0.73 117.35 119.41 2wpw s TYR 180 Ca 0.00 -0.20 0.05 0.00 -1.01 0.00 0.00 57.07 55.91 2wpw s TYR 180 Cb 0.00 -1.32 -0.05 0.00 -0.11 0.00 0.00 41.96 40.48 2wpw s TYR 180 CO 0.00 0.50 -0.11 -1.12 -1.11 0.00 0.00 175.55 173.71 2wpw s SER 181 N -2.77 1.98 0.07 2.29 0.01 0.06 -4.78 113.70 110.55 2wpw s SER 181 Ca 0.25 -1.02 0.02 0.00 1.31 0.00 0.00 55.95 56.51 2wpw s SER 181 Cb -0.09 -0.04 -0.04 0.00 0.21 0.00 0.00 66.02 66.06 2wpw s SER 181 CO 0.16 -0.30 0.12 -0.76 0.41 0.00 0.00 173.24 172.87 2wpw s LEU 182 N -3.21 4.00 0.10 2.44 1.43 -1.26 0.12 118.68 122.30 2wpw s LEU 182 Ca 0.18 0.10 0.01 0.00 -1.03 0.00 0.00 54.13 53.39 2wpw s LEU 182 Cb 0.02 -2.64 -0.04 0.00 0.03 0.00 0.00 46.19 43.56 2wpw s LEU 182 CO 0.02 0.18 -0.06 0.68 0.23 0.00 0.00 176.35 177.40 2wpw s VAL 183 N -1.42 0.65 0.14 -1.59 -7.23 -0.47 -4.95 120.40 105.53 2wpw s VAL 183 Ca 0.31 -1.93 0.02 0.00 -1.81 0.00 0.00 61.98 58.58 2wpw s VAL 183 Cb -0.12 -1.68 -0.04 0.00 0.56 0.00 0.00 36.38 35.09 2wpw s VAL 183 CO 0.24 -0.87 -0.05 0.42 -0.31 0.00 0.00 175.10 174.53 2wpw s THR 184 N -3.65 0.79 0.29 5.32 -4.23 -1.26 0.16 115.64 113.06 2wpw s THR 184 Ca 0.12 -1.98 -0.20 0.00 -1.18 0.00 0.00 61.69 58.45 2wpw s THR 184 Cb 0.06 -1.88 0.04 0.00 1.34 0.00 0.00 72.50 72.05 2wpw s THR 184 CO -0.05 -0.70 0.78 -1.66 -0.54 0.00 0.00 174.62 172.45 2wpw s TRP 185 N -3.57 -0.09 0.00 3.99 -2.14 -0.89 -4.96 118.94 111.27 2wpw s TRP 185 Ca 0.17 -0.41 0.00 0.00 2.66 0.00 0.00 56.10 58.52 2wpw s TRP 185 Cb 0.05 0.74 0.00 0.00 -3.10 0.00 0.00 33.47 31.16 2wpw s TRP 185 CO -0.00 -1.28 0.00 0.41 -2.66 0.00 0.00 176.95 173.42 2wpw n GLY 186 N -0.49 0.89 0.14 3.67 0.00 -1.26 -1.66 105.19 106.49 2wpw n GLY 186 Ca -0.05 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 1.34 -3.32 2.61 1.35 -1.95 -3.42 112.91 109.52 2wpw h THR 187 Ca 0.00 -2.04 -0.65 0.00 -0.55 0.00 0.00 66.41 63.17 2wpw h THR 187 Cb 0.00 2.13 -0.24 0.00 -1.73 0.00 0.00 68.15 68.31 2wpw h THR 187 CO 0.00 0.57 -0.71 -0.63 -0.25 0.00 0.00 175.52 174.50 2wpw s ILE 188 N -3.58 3.52 0.08 6.82 -1.09 -1.26 -4.90 121.20 120.79 2wpw s ILE 188 Ca -0.01 -0.49 -0.31 0.00 -2.23 0.00 0.00 60.65 57.61 2wpw s ILE 188 Cb 0.12 -2.52 -0.08 0.00 -1.58 0.00 0.00 42.46 38.40 2wpw s ILE 188 CO 0.75 0.50 1.53 -0.89 -1.23 0.00 0.00 174.94 175.60 2wpw s THR 189 N 0.42 3.18 0.59 2.92 2.01 -1.26 -4.98 115.64 118.52 2wpw s THR 189 Ca -0.06 0.71 -0.19 0.00 0.31 0.00 0.00 61.69 62.45 2wpw s THR 189 Cb -0.15 -3.46 -0.04 0.00 0.01 0.00 0.00 72.50 68.86 2wpw s THR 189 CO 0.04 0.02 1.12 -2.65 -0.69 0.00 0.00 174.62 172.46 2wpw n PRO 190 N 4.98 1.12 -0.23 4.92 -0.02 -1.26 -4.79 135.00 139.72 2wpw n PRO 190 Ca 0.14 0.43 0.22 0.00 -2.02 0.00 0.00 63.50 62.27 2wpw n PRO 190 Cb 0.41 -2.33 0.57 0.00 -0.02 0.00 0.00 33.50 32.14 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 0.72 0.29 1.12 2.55 3.32 -2.01 -0.97 116.42 121.43 2wpw h ASP 191 Ca -0.49 0.03 -0.09 0.00 0.02 0.00 0.00 57.03 56.50 2wpw h ASP 191 Cb 1.35 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.86 2wpw h ASP 191 CO 0.53 0.11 -0.43 -0.08 -1.72 0.00 0.00 179.24 177.64 2wpw h GLU 192 N 0.28 0.00 -0.03 3.56 4.81 -2.03 -3.00 114.58 118.18 2wpw h GLU 192 Ca 0.47 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.70 2wpw h GLU 192 Cb 1.36 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.74 2wpw h GLU 192 CO -0.14 0.43 -0.03 0.66 -0.73 0.00 0.00 179.01 179.20 2wpw n TYR 193 N -3.39 0.00 -0.05 0.92 0.53 -0.40 -4.55 117.16 110.22 2wpw n TYR 193 Ca 0.01 0.00 -0.11 0.00 -1.02 0.00 0.00 57.90 56.78 2wpw n TYR 193 Cb 0.60 0.00 -0.04 0.00 -1.03 0.00 0.00 39.34 38.87 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 4.27 0.25 -0.05 -0.72 0.00 -1.33 0.10 119.26 121.79 2wpw h ALA 194 Ca 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2wpw h ALA 194 Cb 0.90 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 2wpw h ALA 194 CO 0.00 -0.19 -0.06 0.28 0.00 0.00 0.00 179.25 179.29 2wpw h VAL 195 N 0.19 1.39 -0.56 0.00 2.07 -1.81 -2.33 116.25 115.20 2wpw h VAL 195 Ca 0.07 -1.26 0.10 0.00 0.82 0.00 0.00 66.70 66.43 2wpw h VAL 195 Cb 0.12 2.13 -0.11 0.00 -1.52 0.00 0.00 31.29 31.91 2wpw h VAL 195 CO -0.01 0.34 -0.33 -0.65 0.02 0.00 0.00 177.57 176.94 2wpw h PRO 196 N -0.35 -0.17 -0.46 1.57 0.11 -1.78 -0.99 132.00 129.94 2wpw h PRO 196 Ca 0.01 0.01 0.06 0.00 0.11 0.00 0.00 66.00 66.19 2wpw h PRO 196 Cb 0.58 0.04 -0.06 0.00 0.11 0.00 0.00 31.00 31.68 2wpw h PRO 196 CO 0.01 -0.11 0.14 0.28 -0.21 0.00 0.00 178.00 178.12 2wpw h VAL 197 N -0.17 0.82 0.00 3.15 2.07 -0.80 -1.06 116.25 120.26 2wpw h VAL 197 Ca 0.22 -0.10 -0.05 0.00 0.82 0.00 0.00 66.70 67.59 2wpw h VAL 197 Cb 0.55 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 2wpw h VAL 197 CO -0.66 0.06 -0.23 0.77 0.02 0.00 0.00 177.57 177.53 2wpw h SER 198 N 0.30 0.00 -0.21 0.57 4.64 -0.81 -2.56 113.55 115.49 2wpw h SER 198 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 2wpw h SER 198 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 2wpw h SER 198 CO -0.24 0.23 0.00 -0.62 -0.87 0.00 0.00 176.83 175.33 2wpw n GLU 199 N -4.04 2.37 0.00 4.77 1.02 -0.44 -4.51 120.64 119.80 2wpw n GLU 199 Ca -0.02 -2.04 0.00 0.00 -0.02 0.00 0.00 57.16 55.08 2wpw n GLU 199 Cb 0.30 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.24 2wpw n GLU 199 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 2wpw n LEU 200 N 1.34 0.00 -2.41 -4.62 7.94 -0.46 -2.19 117.00 116.59 2wpw n LEU 200 Ca 0.17 0.35 -0.00 0.00 -1.11 0.00 0.00 56.01 55.42 2wpw n LEU 200 Cb 0.59 -0.35 0.04 0.00 0.53 0.00 0.00 43.42 44.23 2wpw n LEU 200 CO 0.15 -0.35 0.03 -0.62 -1.11 0.00 0.00 177.39 175.49 2wpw n GLU 201 N -1.35 1.39 0.00 1.96 1.02 -1.26 -4.65 120.64 117.75 2wpw n GLU 201 Ca 0.00 -3.16 0.00 0.00 -0.02 0.00 0.00 57.16 53.98 2wpw n GLU 201 Cb 0.00 -1.24 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 2wpw n GLU 201 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2wpw n LEU 202 N -0.34 0.00 0.00 -4.62 4.32 -0.93 -5.19 117.00 110.24 2wpw n LEU 202 Ca 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.08 2wpw n LEU 202 Cb 0.90 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.70 2wpw n LEU 202 CO 0.06 0.00 0.00 -2.11 -1.22 0.00 0.00 177.39 174.12 2wpw n ARG 211 N 0.00 0.00 -0.01 3.23 1.85 -1.26 -5.18 116.66 115.29 2wpw n ARG 211 Ca 0.00 0.00 0.06 0.00 -1.00 0.00 0.00 57.85 56.91 2wpw n ARG 211 Cb 0.00 0.00 0.06 0.00 -1.05 0.00 0.00 32.46 31.47 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 3.37 2.46 1.63 2.89 0.00 -1.26 -4.04 120.51 125.55 2wpw n ALA 212 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 52.81 2wpw n ALA 212 Cb 0.00 -0.38 0.01 0.00 0.00 0.00 0.00 19.45 19.08 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 0.62 2.51 0.23 0.00 0.00 -1.26 -3.44 120.51 119.17 2wpw n ALA 213 Ca 0.07 -0.06 0.07 0.00 0.00 0.00 0.00 53.44 53.52 2wpw n ALA 213 Cb 0.29 -1.00 0.55 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 0.17 0.00 0.00 0.00 4.20 -2.01 -3.05 115.11 114.43 2wpw h GLN 214 Ca 0.00 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.60 2wpw h GLN 214 Cb 0.19 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.95 2wpw h GLN 214 CO 0.01 0.19 -0.77 0.93 -0.67 0.00 0.00 178.83 178.52 2wpw h GLU 215 N 0.00 0.00 -0.54 1.46 5.08 -1.89 0.17 114.58 118.86 2wpw h GLU 215 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2wpw h GLU 215 Cb 0.38 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 2wpw h GLU 215 CO 0.02 0.37 0.29 0.28 -1.00 0.00 0.00 179.01 178.97 2wpw h VAL 216 N 0.00 1.18 -0.48 3.13 2.07 -1.77 0.90 116.25 121.28 2wpw h VAL 216 Ca -0.05 -0.47 -0.08 0.00 0.82 0.00 0.00 66.70 66.92 2wpw h VAL 216 Cb 1.39 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 2wpw h VAL 216 CO 0.05 0.20 -0.03 0.03 0.02 0.00 0.00 177.57 177.84 2wpw h ARG 217 N 0.72 0.81 -0.16 1.57 3.08 -1.42 -2.09 114.38 116.89 2wpw h ARG 217 Ca 0.19 -0.23 -0.14 0.00 0.07 0.00 0.00 59.98 59.87 2wpw h ARG 217 Cb 0.06 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 2wpw h ARG 217 CO -0.03 0.83 -0.48 1.15 -1.07 0.00 0.00 179.97 180.37 2wpw h THR 218 N 0.75 1.33 0.05 2.04 2.02 -0.16 -2.54 112.91 116.39 2wpw h THR 218 Ca 0.14 -1.70 -0.24 0.00 0.77 0.00 0.00 66.41 65.38 2wpw h THR 218 Cb 0.49 1.73 0.00 0.00 -1.74 0.00 0.00 68.15 68.64 2wpw h THR 218 CO 0.02 0.52 -1.04 -1.28 0.37 0.00 0.00 175.52 174.11 2wpw h SER 219 N 0.34 0.46 0.10 4.18 0.87 -0.78 -1.64 113.55 117.08 2wpw h SER 219 Ca 0.02 -0.41 -0.01 0.00 -1.23 0.00 0.00 61.79 60.16 2wpw h SER 219 Cb 0.97 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.79 2wpw h SER 219 CO 0.08 1.24 -0.05 0.22 -0.53 0.00 0.00 176.83 177.80 2wpw h TYR 220 N 0.16 -0.13 -0.76 2.24 3.20 -1.40 -1.46 116.97 118.82 2wpw h TYR 220 Ca -0.09 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.76 2wpw h TYR 220 Cb 1.71 0.04 -0.04 0.00 1.54 0.00 0.00 36.73 39.98 2wpw h TYR 220 CO 0.06 0.03 0.44 0.00 -1.64 0.00 0.00 178.16 177.05 2wpw h ALA 221 N 0.62 1.35 -0.15 1.82 0.00 -1.45 -2.13 119.26 119.31 2wpw h ALA 221 Ca -0.01 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 2wpw h ALA 221 Cb 0.22 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2wpw h ALA 221 CO 0.02 0.55 -0.28 -0.09 0.00 0.00 0.00 179.25 179.45 2wpw h ARG 222 N 1.05 0.29 -0.50 0.00 2.43 -1.01 -0.79 114.38 115.84 2wpw h ARG 222 Ca 0.27 -0.11 -0.12 0.00 -0.81 0.00 0.00 59.98 59.21 2wpw h ARG 222 Cb -0.01 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 2wpw h ARG 222 CO -0.05 0.55 -0.16 1.96 -1.51 0.00 0.00 179.97 180.77 2wpw h GLN 223 N 0.26 0.99 -0.65 0.20 4.20 -0.79 0.36 115.11 119.68 2wpw h GLN 223 Ca 0.04 -0.39 0.04 0.00 0.06 0.00 0.00 58.65 58.40 2wpw h GLN 223 Cb 0.64 -0.05 -0.05 0.00 0.30 0.00 0.00 27.48 28.32 2wpw h GLN 223 CO 0.05 1.06 0.38 0.74 -0.67 0.00 0.00 178.83 180.39 2wpw h PHE 224 N 0.87 0.71 -0.29 2.96 0.04 -0.98 -3.03 116.94 117.21 2wpw h PHE 224 Ca 0.13 0.02 -0.17 0.00 2.80 0.00 0.00 57.97 60.75 2wpw h PHE 224 Cb 0.72 -0.22 -0.00 0.00 2.20 0.00 0.00 35.95 38.64 2wpw h PHE 224 CO 0.05 0.37 -0.49 0.93 -0.60 0.00 0.00 178.31 178.57 2wpw h GLU 225 N 0.73 0.80 -2.00 1.51 5.08 -0.80 -2.23 114.58 117.66 2wpw h GLU 225 Ca 0.27 -0.47 -0.00 0.00 -1.00 0.00 0.00 59.36 58.16 2wpw h GLU 225 Cb 0.09 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 2wpw h GLU 225 CO -0.14 1.10 -0.00 0.25 -1.00 0.00 0.00 179.01 179.23 2wpw n THR 226 N -4.01 1.15 0.00 1.13 -2.24 0.09 -2.57 114.28 107.82 2wpw n THR 226 Ca -0.03 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 2wpw n THR 226 Cb 0.59 -1.29 0.00 0.00 -2.10 0.00 0.00 70.33 67.53 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 1.72 0.00 -0.12 -0.78 1.74 -0.84 -0.64 116.66 117.73 2wpw n ARG 228 Ca 0.00 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.97 2wpw n ARG 228 Cb 0.29 0.00 0.02 0.00 -1.02 0.00 0.00 32.46 31.75 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 1.27 -0.06 1.55 2.07 -1.69 -0.84 116.25 118.55 2wpw h VAL 229 Ca 0.00 -1.44 0.02 0.00 0.82 0.00 0.00 66.70 66.10 2wpw h VAL 229 Cb 0.00 1.24 -0.00 0.00 -1.52 0.00 0.00 31.29 31.01 2wpw h VAL 229 CO 0.00 0.49 0.06 1.23 0.02 0.00 0.00 177.57 179.37 2wpw h GLY 230 N 0.88 0.00 -2.00 2.17 0.00 -1.16 0.45 103.07 103.41 2wpw h GLY 230 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 2wpw h GLY 230 CO 0.07 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.15 2wpw n ARG 231 N -4.04 2.43 -1.39 4.80 1.74 -0.42 -4.73 116.66 115.05 2wpw n ARG 231 Ca -0.01 -1.86 -0.11 0.00 -0.77 0.00 0.00 57.85 55.09 2wpw n ARG 231 Cb 0.16 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 30.05 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 1.14 1.17 3.82 -0.13 0.00 0.15 -3.31 105.19 108.02 2wpw n GLY 232 Ca 0.17 -0.49 -0.37 0.00 0.00 0.00 0.00 46.02 45.32 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 -3.08 4.13 0.28 1.61 0.52 -0.62 -2.41 118.95 119.39 2wpw s ARG 233 Ca 0.00 0.67 0.05 0.00 -0.52 0.00 0.00 55.73 55.93 2wpw s ARG 233 Cb 0.00 -3.12 -0.02 0.00 0.52 0.00 0.00 34.95 32.33 2wpw s ARG 233 CO 0.00 0.58 0.42 1.03 0.02 0.00 0.00 175.30 177.35 2wpw s ARG 234 N -1.43 3.34 -0.02 3.54 0.52 0.23 -4.36 118.95 120.77 2wpw s ARG 234 Ca 0.32 -0.78 -0.06 0.00 -0.52 0.00 0.00 55.73 54.70 2wpw s ARG 234 Cb -0.18 -2.84 0.01 0.00 0.52 0.00 0.00 34.95 32.46 2wpw s ARG 234 CO 0.19 0.27 0.13 0.00 0.02 0.00 0.00 175.30 175.92 2wpw s ALA 235 N -2.09 -0.32 -0.15 2.13 0.00 -1.26 -0.44 121.76 119.64 2wpw s ALA 235 Ca 0.38 0.09 -0.00 0.00 0.00 0.00 0.00 51.96 52.43 2wpw s ALA 235 Cb -0.09 -0.05 0.03 0.00 0.00 0.00 0.00 23.12 23.01 2wpw s ALA 235 CO 0.31 -0.14 -0.09 0.71 0.00 0.00 0.00 175.76 176.54 2wpw s TYR 236 N -0.73 1.87 -0.04 0.00 1.51 -0.08 -4.03 117.35 115.86 2wpw s TYR 236 Ca -0.08 -1.09 0.07 0.00 -1.01 0.00 0.00 57.07 54.96 2wpw s TYR 236 Cb -0.05 -1.42 -0.02 0.00 -0.11 0.00 0.00 41.96 40.37 2wpw s TYR 236 CO 0.01 -0.62 -0.25 -1.01 -1.11 0.00 0.00 175.55 172.57 2wpw s HIS 237 N 1.58 2.40 -0.03 2.71 3.76 -0.67 -1.77 115.29 123.27 2wpw s HIS 237 Ca 0.03 -0.53 0.07 0.00 -0.15 0.00 0.00 55.06 54.48 2wpw s HIS 237 Cb -0.14 -1.55 -0.02 0.00 1.11 0.00 0.00 32.58 31.99 2wpw s HIS 237 CO -0.09 -0.09 -0.25 0.99 -0.85 0.00 0.00 174.74 174.44 2wpw s THR 238 N -0.44 2.07 0.19 1.30 2.01 -1.01 -2.10 115.64 117.66 2wpw s THR 238 Ca 0.05 -1.09 0.09 0.00 0.31 0.00 0.00 61.69 61.05 2wpw s THR 238 Cb -0.12 -1.72 -0.04 0.00 0.01 0.00 0.00 72.50 70.63 2wpw s THR 238 CO 0.01 0.58 -0.12 -0.83 -0.69 0.00 0.00 174.62 173.57 2wpw s GLY 239 N -0.47 1.73 -0.16 4.40 0.00 0.41 -2.12 107.32 111.11 2wpw s GLY 239 Ca 0.06 -1.53 0.01 0.00 0.00 0.00 0.00 44.72 43.25 2wpw s GLY 239 CO 0.00 -1.56 -0.18 0.00 0.00 0.00 0.00 173.10 171.36 2wpw s ALA 240 N -1.79 2.39 -0.13 3.20 0.00 -0.30 -1.37 121.76 123.76 2wpw s ALA 240 Ca 0.25 -1.11 -0.02 0.00 0.00 0.00 0.00 51.96 51.08 2wpw s ALA 240 Cb -0.08 -1.16 -0.02 0.00 0.00 0.00 0.00 23.12 21.85 2wpw s ALA 240 CO 0.15 -0.13 -0.08 0.08 0.00 0.00 0.00 175.76 175.77 2wpw s VAL 241 N 0.97 3.50 -0.58 0.00 1.01 0.12 -0.14 120.40 125.29 2wpw s VAL 241 Ca -0.03 -0.51 -0.26 0.00 0.00 0.00 0.00 61.98 61.18 2wpw s VAL 241 Cb -0.15 -2.50 0.03 0.00 0.00 0.00 0.00 36.38 33.77 2wpw s VAL 241 CO -0.04 0.52 1.09 -2.28 0.00 0.00 0.00 175.10 174.39 2wpw s HIS 242 N 0.22 2.67 0.12 5.22 2.46 -0.01 -0.76 115.29 125.21 2wpw s HIS 242 Ca -0.05 0.21 -0.19 0.00 0.47 0.00 0.00 55.06 55.50 2wpw s HIS 242 Cb -0.15 -4.34 -0.06 0.00 -0.13 0.00 0.00 32.58 27.91 2wpw s HIS 242 CO 0.04 -1.51 1.77 -0.44 -2.47 0.00 0.00 174.74 172.13 2wpw h ASP 243 N 9.47 0.19 -0.17 9.88 3.45 -1.25 1.00 116.42 139.00 2wpw h ASP 243 Ca -0.26 0.00 0.04 0.00 0.43 0.00 0.00 57.03 57.25 2wpw h ASP 243 Cb 1.06 -0.04 -0.01 0.00 -0.56 0.00 0.00 39.33 39.79 2wpw h ASP 243 CO 1.15 0.14 0.12 0.00 -1.57 0.00 0.00 179.24 179.08 2wpw h ALA 244 N 1.09 2.12 -0.00 3.45 0.00 -1.93 -2.53 119.26 121.45 2wpw h ALA 244 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2wpw h ALA 244 Cb -0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2wpw h ALA 244 CO -0.04 -0.16 -0.19 0.25 0.00 0.00 0.00 179.25 179.11 2wpw n THR 245 N -4.49 0.00 -1.17 0.00 -2.24 -0.91 -4.99 114.28 100.48 2wpw n THR 245 Ca 0.01 -0.40 -0.06 0.00 -2.27 0.00 0.00 64.05 61.33 2wpw n THR 245 Cb 0.23 1.07 -0.03 0.00 -2.10 0.00 0.00 70.33 69.50 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 0.87 0.64 3.78 3.38 0.00 0.34 -4.98 105.19 109.23 2wpw n GLY 246 Ca 0.03 -0.07 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.69 3.16 -0.65 4.61 0.00 -1.15 -4.80 121.76 121.25 2wpw s ALA 247 Ca 0.00 0.63 -0.27 0.00 0.00 0.00 0.00 51.96 52.32 2wpw s ALA 247 Cb 0.00 -3.24 0.02 0.00 0.00 0.00 0.00 23.12 19.90 2wpw s ALA 247 CO 0.00 -0.04 1.36 -1.17 0.00 0.00 0.00 175.76 175.91 2wpw s LEU 248 N -2.32 3.30 0.38 0.00 2.96 -1.26 -0.83 118.68 120.90 2wpw s LEU 248 Ca 0.54 -0.06 0.19 0.00 -0.22 0.00 0.00 54.13 54.58 2wpw s LEU 248 Cb -0.21 -2.82 0.71 0.00 0.50 0.00 0.00 46.19 44.38 2wpw s LEU 248 CO 0.27 -1.78 1.75 0.00 -1.32 0.00 0.00 176.35 175.26 2wpw h ALA 249 N 10.70 1.02 -1.02 5.97 0.00 -0.88 -3.45 119.26 131.60 2wpw h ALA 249 Ca -0.27 -0.33 0.34 0.00 0.00 0.00 0.00 54.91 54.65 2wpw h ALA 249 Cb 1.07 -0.06 -0.21 0.00 0.00 0.00 0.00 17.79 18.60 2wpw h ALA 249 CO 1.23 0.45 0.99 0.20 0.00 0.00 0.00 179.25 182.12 2wpw s GLY 250 N -4.35 -0.19 0.26 0.00 0.00 -1.17 -0.77 107.32 101.11 2wpw s GLY 250 Ca -0.00 1.96 -0.15 0.00 0.00 0.00 0.00 44.72 46.53 2wpw s GLY 250 CO 0.68 0.66 0.55 -2.52 0.00 0.00 0.00 173.10 172.47 2wpw s TYR 251 N -1.99 0.21 0.10 1.90 1.13 -0.66 -1.15 117.35 116.89 2wpw s TYR 251 Ca 0.12 -0.60 -0.05 0.00 -1.41 0.00 0.00 57.07 55.13 2wpw s TYR 251 Cb -0.01 0.35 -0.02 0.00 -1.10 0.00 0.00 41.96 41.17 2wpw s TYR 251 CO -0.02 -1.08 0.11 -0.08 -2.51 0.00 0.00 175.55 171.97 2wpw s THR 252 N -3.95 0.14 0.15 -3.49 -1.32 -0.90 -1.08 115.64 105.19 2wpw s THR 252 Ca 0.19 -1.57 -0.03 0.00 -1.21 0.00 0.00 61.69 59.07 2wpw s THR 252 Cb -0.02 -1.65 -0.03 0.00 -1.51 0.00 0.00 72.50 69.28 2wpw s THR 252 CO 0.09 -0.64 0.11 -0.94 -2.21 0.00 0.00 174.62 171.03 2wpw s SER 253 N -2.94 0.23 -0.05 8.08 1.04 -1.26 -2.41 113.70 116.40 2wpw s SER 253 Ca 0.12 -1.15 -0.03 0.00 0.48 0.00 0.00 55.95 55.37 2wpw s SER 253 Cb 0.06 0.34 0.02 0.00 0.10 0.00 0.00 66.02 66.54 2wpw s SER 253 CO -0.06 -0.78 0.11 -0.69 0.98 0.00 0.00 173.24 172.80 2wpw s VAL 254 N -4.04 -0.03 -0.07 5.02 1.01 -0.73 0.20 120.40 121.76 2wpw s VAL 254 Ca 0.24 0.09 0.02 0.00 0.00 0.00 0.00 61.98 62.33 2wpw s VAL 254 Cb 0.06 -0.17 -0.03 0.00 0.00 0.00 0.00 36.38 36.25 2wpw s VAL 254 CO 0.02 0.04 -0.10 -0.55 0.00 0.00 0.00 175.10 174.51 2wpw s SER 255 N 0.60 4.34 -0.18 3.32 0.15 0.01 -0.90 113.70 121.03 2wpw s SER 255 Ca -0.05 -0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.47 2wpw s SER 255 Cb -0.06 -1.13 0.04 0.00 -1.71 0.00 0.00 66.02 63.16 2wpw s SER 255 CO -0.03 0.32 -0.08 -0.75 1.20 0.00 0.00 173.24 173.90 2wpw s LYS 256 N -0.57 1.79 0.64 5.44 2.36 0.42 -0.97 119.74 128.85 2wpw s LYS 256 Ca 0.08 -0.65 -0.12 0.00 -2.55 0.00 0.00 55.97 52.73 2wpw s LYS 256 Cb -0.12 -2.18 -0.02 0.00 -1.05 0.00 0.00 37.83 34.47 2wpw s LYS 256 CO 0.02 -0.40 1.04 0.95 1.55 0.00 0.00 175.35 178.51 2wpw s THR 257 N 1.52 4.24 0.12 3.43 -4.23 -1.26 0.74 115.64 120.19 2wpw s THR 257 Ca 0.01 0.80 -0.20 0.00 -1.18 0.00 0.00 61.69 61.11 2wpw s THR 257 Cb -0.15 -3.56 -0.07 0.00 1.34 0.00 0.00 72.50 70.06 2wpw s THR 257 CO -0.08 -0.88 1.73 0.74 -0.54 0.00 0.00 174.62 175.59 2wpw h THR 258 N -0.30 0.90 -4.24 3.99 2.02 -1.77 -3.44 112.91 110.07 2wpw h THR 258 Ca -0.45 -0.02 -0.46 0.00 0.77 0.00 0.00 66.41 66.25 2wpw h THR 258 Cb 1.20 0.84 0.13 0.00 -1.74 0.00 0.00 68.15 68.58 2wpw h THR 258 CO 0.59 0.01 0.30 -0.83 0.37 0.00 0.00 175.52 175.96 2wpw s GLY 259 N -2.46 1.58 -0.67 2.16 0.00 -1.26 -4.71 107.32 101.96 2wpw s GLY 259 Ca -0.13 -0.46 -0.04 0.00 0.00 0.00 0.00 44.72 44.09 2wpw s GLY 259 CO 0.68 0.07 0.68 0.70 0.00 0.00 0.00 173.10 175.23 2wpw n ASN 260 N -3.72 -7.83 -0.30 1.64 5.03 -1.26 -4.85 115.26 103.97 2wpw n ASN 260 Ca 0.07 0.07 0.34 0.00 0.87 0.00 0.00 54.58 55.93 2wpw n ASN 260 Cb 0.59 -5.32 0.74 0.00 -1.02 0.00 0.00 39.78 34.77 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 0.81 0.00 -0.00 3.52 0.11 -1.90 -2.05 132.00 132.50 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 1.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.11 2wpw h PRO 261 CO 0.28 0.00 -0.22 0.00 -0.21 0.00 0.00 178.00 177.84 2wpw n ALA 262 N -2.72 2.99 -2.33 -0.75 0.00 -1.26 -3.40 120.51 113.03 2wpw n ALA 262 Ca 0.25 -0.33 -0.31 0.00 0.00 0.00 0.00 53.44 53.04 2wpw n ALA 262 Cb 1.23 -1.22 -0.15 0.00 0.00 0.00 0.00 19.45 19.31 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 -2.59 2.37 0.24 0.00 2.02 -0.77 -0.95 117.35 117.67 2wpw s TYR 263 Ca 0.24 -0.41 -0.06 0.00 -0.37 0.00 0.00 57.07 56.47 2wpw s TYR 263 Cb 0.19 -1.50 -0.02 0.00 -0.40 0.00 0.00 41.96 40.24 2wpw s TYR 263 CO 0.53 0.01 0.31 0.00 -1.57 0.00 0.00 175.55 174.83 2wpw s ALA 264 N -0.65 0.55 -0.15 3.71 0.00 -0.42 -4.60 121.76 120.19 2wpw s ALA 264 Ca 0.10 -1.34 0.02 0.00 0.00 0.00 0.00 51.96 50.74 2wpw s ALA 264 Cb -0.10 1.24 0.01 0.00 0.00 0.00 0.00 23.12 24.27 2wpw s ALA 264 CO -0.00 -0.72 -0.20 -1.17 0.00 0.00 0.00 175.76 173.66 2wpw s LEU 265 N -3.11 2.05 -0.43 0.00 2.96 -0.14 -2.31 118.68 117.70 2wpw s LEU 265 Ca 0.31 -0.59 -0.24 0.00 -0.22 0.00 0.00 54.13 53.40 2wpw s LEU 265 Cb 0.03 -1.40 0.02 0.00 0.50 0.00 0.00 46.19 45.34 2wpw s LEU 265 CO 0.12 0.05 0.82 -1.58 -1.32 0.00 0.00 176.35 174.43 2wpw s GLN 266 N 0.99 3.54 0.00 1.98 2.00 0.15 -0.81 119.66 127.50 2wpw s GLN 266 Ca -0.03 0.08 0.00 0.00 -2.00 0.00 0.00 55.36 53.41 2wpw s GLN 266 Cb -0.15 -3.90 0.00 0.00 0.80 0.00 0.00 33.01 29.77 2wpw s GLN 266 CO -0.05 -1.06 0.00 0.41 -0.50 0.00 0.00 175.29 174.09 2wpw n GLY 267 N 4.83 0.57 3.32 2.59 0.00 0.13 -4.52 105.19 112.12 2wpw n GLY 267 Ca 0.03 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.99 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 0.00 -0.73 -0.11 2.61 2.01 -1.26 -4.73 115.64 113.43 2wpw s THR 269 Ca 0.00 0.12 -0.01 0.00 0.31 0.00 0.00 61.69 62.11 2wpw s THR 269 Cb 0.00 -0.75 -0.03 0.00 0.01 0.00 0.00 72.50 71.73 2wpw s THR 269 CO 0.00 0.04 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.20 2wpw s VAL 270 N 2.67 3.57 -0.08 3.82 1.01 -0.24 -5.00 120.40 126.15 2wpw s VAL 270 Ca -0.01 -0.50 -0.00 0.00 0.00 0.00 0.00 61.98 61.47 2wpw s VAL 270 Cb -0.12 -2.50 0.02 0.00 0.00 0.00 0.00 36.38 33.78 2wpw s VAL 270 CO -0.14 0.55 -0.05 -0.69 0.00 0.00 0.00 175.10 174.76 2wpw s VAL 271 N -0.18 0.75 0.33 2.92 1.01 -1.26 -1.66 120.40 122.32 2wpw s VAL 271 Ca 0.02 -0.15 -0.28 0.00 0.00 0.00 0.00 61.98 61.57 2wpw s VAL 271 Cb -0.13 -0.80 -0.13 0.00 0.00 0.00 0.00 36.38 35.32 2wpw s VAL 271 CO 0.03 0.31 1.18 1.57 0.00 0.00 0.00 175.10 178.19 2wpw n HIS 272 N 4.73 1.89 -0.39 5.22 -0.00 0.05 -4.86 115.22 121.86 2wpw n HIS 272 Ca -0.14 0.60 0.33 0.00 0.46 0.00 0.00 57.72 58.97 2wpw n HIS 272 Cb 0.50 -2.35 0.60 0.00 -0.12 0.00 0.00 29.99 28.62 2wpw n HIS 272 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2wpw h ARG 273 N 2.29 0.12 -0.01 1.57 3.08 -1.90 -0.45 114.38 119.08 2wpw h ARG 273 Ca -0.44 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.60 2wpw h ARG 273 Cb 1.30 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.33 2wpw h ARG 273 CO 0.61 0.08 -0.11 0.39 -1.07 0.00 0.00 179.97 179.88 2wpw n GLU 274 N -4.87 1.17 -1.97 0.04 1.02 -1.26 -4.14 120.64 110.63 2wpw n GLU 274 Ca 0.36 -0.62 -0.08 0.00 -0.02 0.00 0.00 57.16 56.80 2wpw n GLU 274 Cb 1.30 -1.49 0.06 0.00 -0.02 0.00 0.00 31.44 31.29 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 -0.37 1.47 -2.59 -0.32 8.25 -0.18 -5.06 115.22 116.42 2wpw n HIS 275 Ca 0.16 -1.85 -0.27 0.00 -0.26 0.00 0.00 57.72 55.50 2wpw n HIS 275 Cb 0.32 -0.27 0.01 0.00 1.12 0.00 0.00 29.99 31.18 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 -3.13 3.37 0.00 -0.41 0.52 -1.23 -4.51 118.95 113.55 2wpw s ARG 276 Ca 0.39 0.12 0.00 0.00 -0.52 0.00 0.00 55.73 55.72 2wpw s ARG 276 Cb 0.37 -2.36 0.00 0.00 0.52 0.00 0.00 34.95 33.49 2wpw s ARG 276 CO -0.03 -0.33 0.00 0.41 0.02 0.00 0.00 175.30 175.37 2wpw n GLY 277 N -2.33 0.75 0.30 -3.53 0.00 -1.26 -4.91 105.19 94.21 2wpw n GLY 277 Ca 0.02 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.24 0.22 -2.92 1.61 8.25 -1.26 -4.99 115.22 113.89 2wpw n HIS 278 Ca 0.00 -0.52 -0.21 0.00 -0.26 0.00 0.00 57.72 56.72 2wpw n HIS 278 Cb 0.00 -0.05 0.02 0.00 1.12 0.00 0.00 29.99 31.08 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 -0.09 -0.91 -0.32 -1.41 0.00 -1.26 -4.84 120.51 111.68 2wpw n ALA 279 Ca 0.06 0.22 -0.02 0.00 0.00 0.00 0.00 53.44 53.70 2wpw n ALA 279 Cb 0.35 -3.21 0.13 0.00 0.00 0.00 0.00 19.45 16.73 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 -0.95 1.08 0.05 0.00 4.07 -1.94 -2.40 115.31 115.22 2wpw h LEU 280 Ca -0.49 -0.06 0.02 0.00 0.08 0.00 0.00 57.88 57.44 2wpw h LEU 280 Cb 1.34 -0.27 -0.05 0.00 1.08 0.00 0.00 40.66 42.76 2wpw h LEU 280 CO 0.55 0.82 -0.46 1.23 -1.08 0.00 0.00 178.44 179.50 2wpw h GLY 281 N 1.25 -0.93 0.98 0.83 0.00 -1.95 0.12 103.07 103.37 2wpw h GLY 281 Ca 0.33 0.56 -0.02 0.00 0.00 0.00 0.00 47.33 48.20 2wpw h GLY 281 CO -0.06 -0.26 0.24 -0.84 0.00 0.00 0.00 176.54 175.62 2wpw h THR 282 N -0.65 1.21 -0.68 4.70 2.02 -1.95 -2.47 112.91 115.08 2wpw h THR 282 Ca 0.03 -0.61 0.14 0.00 0.77 0.00 0.00 66.41 66.74 2wpw h THR 282 Cb 0.70 0.62 -0.10 0.00 -1.74 0.00 0.00 68.15 67.63 2wpw h THR 282 CO -0.30 0.24 0.16 0.25 0.37 0.00 0.00 175.52 176.23 2wpw h LEU 283 N 0.71 0.02 0.01 2.58 5.85 -0.88 -1.02 115.31 122.58 2wpw h LEU 283 Ca 0.18 0.13 -0.00 0.00 0.84 0.00 0.00 57.88 59.03 2wpw h LEU 283 Cb 0.15 0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.35 2wpw h LEU 283 CO -0.02 -0.01 -0.00 -0.07 -0.34 0.00 0.00 178.44 178.00 2wpw h LEU 284 N 0.27 -0.01 -0.23 2.25 4.07 -0.47 0.31 115.31 121.51 2wpw h LEU 284 Ca 0.37 -0.41 0.06 0.00 0.08 0.00 0.00 57.88 57.97 2wpw h LEU 284 Cb 0.60 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 42.27 2wpw h LEU 284 CO -0.46 0.41 -0.19 0.11 -1.08 0.00 0.00 178.44 177.23 2wpw h LYS 285 N -0.43 -0.19 -0.07 1.13 1.57 -1.24 -0.52 116.57 116.81 2wpw h LYS 285 Ca -0.00 0.01 -0.11 0.00 -1.87 0.00 0.00 60.65 58.69 2wpw h LYS 285 Cb 0.42 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.78 2wpw h LYS 285 CO 0.00 -0.13 -0.36 -0.07 -0.57 0.00 0.00 179.45 178.32 2wpw h LEU 286 N -0.20 0.45 -0.94 2.94 3.38 -1.13 -0.98 115.31 118.82 2wpw h LEU 286 Ca 0.13 -0.65 0.11 0.00 0.09 0.00 0.00 57.88 57.56 2wpw h LEU 286 Cb 0.40 -0.13 -0.08 0.00 0.09 0.00 0.00 40.66 40.93 2wpw h LEU 286 CO -0.34 1.03 0.57 0.00 0.09 0.00 0.00 178.44 179.79 2wpw h ALA 287 N 0.43 1.40 0.11 1.53 0.00 -0.89 -0.43 119.26 121.42 2wpw h ALA 287 Ca -0.03 0.03 -0.29 0.00 0.00 0.00 0.00 54.91 54.62 2wpw h ALA 287 Cb 1.02 -0.17 0.03 0.00 0.00 0.00 0.00 17.79 18.66 2wpw h ALA 287 CO 0.08 0.17 -1.22 -0.97 0.00 0.00 0.00 179.25 177.30 2wpw h ASN 288 N 0.91 0.85 -0.23 0.00 -0.00 -1.02 -1.62 115.58 114.48 2wpw h ASN 288 Ca 0.47 -0.78 0.06 0.00 -0.00 0.00 0.00 56.30 56.04 2wpw h ASN 288 Cb 0.46 -0.27 -0.06 0.00 -0.00 0.00 0.00 38.32 38.46 2wpw h ASN 288 CO -0.27 1.58 -0.16 0.25 -0.00 0.00 0.00 177.43 178.84 2wpw h LEU 289 N 0.28 -0.52 -0.77 0.34 5.85 -0.83 0.45 115.31 120.11 2wpw h LEU 289 Ca -0.18 0.11 0.11 0.00 0.84 0.00 0.00 57.88 58.76 2wpw h LEU 289 Cb 1.89 0.27 -0.08 0.00 0.37 0.00 0.00 40.66 43.11 2wpw h LEU 289 CO 0.23 -0.20 0.39 -0.08 -0.34 0.00 0.00 178.44 178.45 2wpw h GLU 290 N -0.15 0.62 -0.34 1.25 4.81 -0.98 0.77 114.58 120.55 2wpw h GLU 290 Ca 0.13 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.34 2wpw h GLU 290 Cb 0.35 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 2wpw h GLU 290 CO -0.32 0.41 0.21 -0.92 -0.73 0.00 0.00 179.01 177.65 2wpw h TYR 291 N 0.63 0.39 -0.20 0.92 3.20 -0.01 -2.80 116.97 119.10 2wpw h TYR 291 Ca 0.39 0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.31 2wpw h TYR 291 Cb 0.46 -0.13 -0.04 0.00 1.54 0.00 0.00 36.73 38.57 2wpw h TYR 291 CO -0.10 0.23 -0.03 0.28 -1.64 0.00 0.00 178.16 176.90 2wpw h VAL 292 N 0.42 0.82 0.00 1.81 2.07 0.11 -3.03 116.25 118.45 2wpw h VAL 292 Ca 0.13 -0.01 -0.03 0.00 0.82 0.00 0.00 66.70 67.62 2wpw h VAL 292 Cb -0.01 0.80 -0.00 0.00 -1.52 0.00 0.00 31.29 30.55 2wpw h VAL 292 CO -0.05 0.00 -0.13 -0.07 0.02 0.00 0.00 177.57 177.34 2wpw h LEU 293 N 0.02 0.00 -1.10 2.57 4.07 -0.76 -0.31 115.31 119.80 2wpw h LEU 293 Ca 0.10 0.00 -0.09 0.00 0.08 0.00 0.00 57.88 57.97 2wpw h LEU 293 Cb 0.14 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.87 2wpw h LEU 293 CO -0.19 0.13 -0.31 -0.09 -1.08 0.00 0.00 178.44 176.90 2wpw h ARG 294 N 0.00 0.24 0.00 1.13 2.43 -1.37 -2.88 114.38 113.94 2wpw h ARG 294 Ca -0.00 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 2wpw h ARG 294 Cb 0.41 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 2wpw h ARG 294 CO 0.02 0.53 -0.83 0.72 -1.51 0.00 0.00 179.97 178.89 2wpw n HIS 295 N -4.11 0.00 -2.88 2.20 8.25 -1.03 -4.68 115.22 112.96 2wpw n HIS 295 Ca -0.01 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.28 2wpw n HIS 295 Cb 0.40 -0.03 -0.00 0.00 1.12 0.00 0.00 29.99 31.48 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 -1.43 1.54 0.30 -0.41 4.07 -0.16 -4.96 120.64 119.59 2wpw n GLU 296 Ca 0.03 -3.61 0.16 0.00 -0.06 0.00 0.00 57.16 53.67 2wpw n GLU 296 Cb 0.27 -1.64 0.93 0.00 -0.06 0.00 0.00 31.44 30.94 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 -1.75 -1.18 132.00 137.47 2wpw h PRO 297 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 2wpw h PRO 297 Cb 0.99 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 2wpw h PRO 297 CO 0.57 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.73 2wpw n GLU 298 N -3.79 0.50 -2.02 0.86 1.02 -1.26 -4.88 120.64 111.06 2wpw n GLU 298 Ca -0.03 0.03 -0.42 0.00 -0.02 0.00 0.00 57.16 56.72 2wpw n GLU 298 Cb 0.09 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 29.98 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 -2.42 2.99 0.00 2.62 1.01 -0.45 -4.15 120.40 120.00 2wpw s VAL 299 Ca 0.29 0.64 0.00 0.00 0.00 0.00 0.00 61.98 62.92 2wpw s VAL 299 Cb 0.18 -3.41 0.00 0.00 0.00 0.00 0.00 36.38 33.15 2wpw s VAL 299 CO 0.38 0.03 0.00 -1.14 0.00 0.00 0.00 175.10 174.38 2wpw n ARG 300 N 4.42 0.54 -3.84 2.72 3.00 -0.12 -4.92 116.66 118.46 2wpw n ARG 300 Ca 0.14 0.00 -0.36 0.00 -0.00 0.00 0.00 57.85 57.62 2wpw n ARG 300 Cb 0.40 -0.73 -0.13 0.00 0.00 0.00 0.00 32.46 32.00 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 -3.49 3.55 -0.09 6.15 1.43 -0.16 -0.16 118.68 125.92 2wpw s LEU 301 Ca 0.00 -0.73 0.05 0.00 -1.03 0.00 0.00 54.13 52.41 2wpw s LEU 301 Cb 0.00 -1.80 -0.00 0.00 0.03 0.00 0.00 46.19 44.42 2wpw s LEU 301 CO 0.00 -0.15 -0.24 -0.69 0.23 0.00 0.00 176.35 175.50 2wpw s VAL 302 N 1.44 2.11 0.35 -1.59 1.01 -0.67 -1.30 120.40 121.75 2wpw s VAL 302 Ca 0.02 -1.02 0.08 0.00 0.00 0.00 0.00 61.98 61.06 2wpw s VAL 302 Cb -0.17 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.38 2wpw s VAL 302 CO -0.00 0.56 0.17 -1.83 0.00 0.00 0.00 175.10 174.00 2wpw s GLU 303 N 0.15 2.39 0.20 2.72 -1.05 -0.98 -1.01 118.70 121.12 2wpw s GLU 303 Ca -0.13 -1.56 -0.23 0.00 -0.15 0.00 0.00 54.97 52.90 2wpw s GLU 303 Cb -0.16 -2.19 0.05 0.00 -0.44 0.00 0.00 34.13 31.39 2wpw s GLU 303 CO 0.07 0.07 0.76 -0.08 0.95 0.00 0.00 175.26 177.03 2wpw s THR 304 N -2.44 0.00 -0.11 1.83 -1.32 -1.14 0.31 115.64 112.77 2wpw s THR 304 Ca 0.39 -0.60 -0.08 0.00 -1.21 0.00 0.00 61.69 60.19 2wpw s THR 304 Cb -0.02 -1.67 0.04 0.00 -1.51 0.00 0.00 72.50 69.34 2wpw s THR 304 CO 0.23 0.00 0.29 0.00 -2.21 0.00 0.00 174.62 172.93 2wpw s ALA 305 N -3.67 -0.70 0.19 11.08 0.00 -1.26 -1.08 121.76 126.32 2wpw s ALA 305 Ca 0.08 0.97 0.08 0.00 0.00 0.00 0.00 51.96 53.09 2wpw s ALA 305 Cb -0.03 -0.59 -0.04 0.00 0.00 0.00 0.00 23.12 22.46 2wpw s ALA 305 CO -0.00 -0.17 -0.16 -0.80 0.00 0.00 0.00 175.76 174.62 2wpw s ASN 306 N 0.71 2.59 0.32 0.00 0.01 -0.95 -4.92 114.94 112.71 2wpw s ASN 306 Ca -0.05 -0.95 -0.29 0.00 -0.71 0.00 0.00 52.86 50.87 2wpw s ASN 306 Cb -0.06 -0.14 -0.11 0.00 0.41 0.00 0.00 41.25 41.35 2wpw s ASN 306 CO -0.04 -0.11 1.56 0.00 -1.51 0.00 0.00 177.10 176.99 2wpw s ALA 307 N -2.56 3.69 -2.00 0.60 0.00 -1.26 -0.55 121.76 119.68 2wpw s ALA 307 Ca 0.19 1.57 0.18 0.00 0.00 0.00 0.00 51.96 53.90 2wpw s ALA 307 Cb -0.03 -3.63 1.05 0.00 0.00 0.00 0.00 23.12 20.50 2wpw s ALA 307 CO 0.07 -1.01 1.45 -0.85 0.00 0.00 0.00 175.76 175.42 2wpw n GLU 308 N 1.60 0.57 -0.01 0.00 0.28 -0.24 -3.22 120.64 119.62 2wpw n GLU 308 Ca 0.06 0.00 0.11 0.00 -0.16 0.00 0.00 57.16 57.17 2wpw n GLU 308 Cb 0.38 -1.48 -0.16 0.00 1.43 0.00 0.00 31.44 31.60 2wpw n GLU 308 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 2wpw n ASP 309 N -0.98 0.07 -4.17 -1.84 3.85 -1.26 -4.73 116.55 107.49 2wpw n ASP 309 Ca 0.13 -0.04 -0.39 0.00 -0.71 0.00 0.00 54.79 53.78 2wpw n ASP 309 Cb 0.06 1.92 -0.10 0.00 -1.35 0.00 0.00 41.12 41.65 2wpw n ASP 309 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 2wpw s ASN 310 N -4.46 5.49 0.08 -1.12 2.20 -1.20 -4.96 114.94 110.97 2wpw s ASN 310 Ca -0.07 -1.98 -0.19 0.00 -0.94 0.00 0.00 52.86 49.68 2wpw s ASN 310 Cb 0.14 -1.92 -0.08 0.00 -2.00 0.00 0.00 41.25 37.38 2wpw s ASN 310 CO 0.91 -0.62 1.52 0.45 -2.94 0.00 0.00 177.10 176.42 2wpw h HIS 311 N 8.25 0.47 0.00 1.54 3.86 -1.86 -3.30 115.15 124.10 2wpw h HIS 311 Ca -0.17 -0.08 0.00 0.00 -1.16 0.00 0.00 60.37 58.96 2wpw h HIS 311 Cb 1.06 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 29.41 2wpw h HIS 311 CO 0.60 0.60 0.00 -2.30 0.86 0.00 0.00 177.93 177.68 2wpw n PRO 312 N -4.64 0.00 0.00 2.45 -0.02 -1.26 -0.19 135.00 131.34 2wpw n PRO 312 Ca -0.04 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.44 2wpw n PRO 312 Cb 0.24 -0.53 0.00 0.00 -0.02 0.00 0.00 33.50 33.19 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 -0.09 0.00 -0.21 4.25 5.41 -1.25 -0.31 119.36 127.16 2wpw n ILE 314 Ca 0.00 0.00 0.01 0.00 1.00 0.00 0.00 62.75 63.76 2wpw n ILE 314 Cb 0.00 0.00 0.25 0.00 -0.71 0.00 0.00 39.64 39.18 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 1.47 -0.75 -1.39 0.00 -0.90 0.78 119.26 118.47 2wpw h ALA 315 Ca 0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 2wpw h ALA 315 Cb 0.00 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 2wpw h ALA 315 CO 0.00 0.49 0.31 0.28 0.00 0.00 0.00 179.25 180.33 2wpw h VAL 316 N 1.00 1.25 -0.23 0.00 2.07 -0.86 -1.80 116.25 117.68 2wpw h VAL 316 Ca 0.27 -0.77 -0.16 0.00 0.82 0.00 0.00 66.70 66.86 2wpw h VAL 316 Cb -0.12 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 29.99 2wpw h VAL 316 CO -0.06 0.32 -0.52 0.78 0.02 0.00 0.00 177.57 178.11 2wpw h ASN 317 N 1.09 0.73 -0.62 0.57 -0.26 0.04 -3.16 115.58 113.97 2wpw h ASN 317 Ca 0.25 -0.38 -0.07 0.00 -0.56 0.00 0.00 56.30 55.55 2wpw h ASN 317 Cb 0.19 -0.21 -0.03 0.00 -1.06 0.00 0.00 38.32 37.21 2wpw h ASN 317 CO -0.02 1.11 0.12 0.00 -1.06 0.00 0.00 177.43 177.58 2wpw h ALA 318 N 0.91 1.00 0.00 -0.83 0.00 0.31 -0.22 119.26 120.43 2wpw h ALA 318 Ca 0.02 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2wpw h ALA 318 Cb 1.07 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2wpw h ALA 318 CO 0.10 0.64 0.00 0.00 0.00 0.00 0.00 179.25 179.99 2wpw n ALA 319 N -2.46 1.37 0.70 0.00 0.00 -0.72 0.86 120.51 120.26 2wpw n ALA 319 Ca 0.04 0.02 0.11 0.00 0.00 0.00 0.00 53.44 53.62 2wpw n ALA 319 Cb 0.27 -1.19 0.13 0.00 0.00 0.00 0.00 19.45 18.66 2wpw n ALA 319 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wpw n LEU 320 N -1.71 3.05 0.00 0.00 4.32 -0.12 -4.95 117.00 117.58 2wpw n LEU 320 Ca 0.02 -1.18 0.00 0.00 -0.02 0.00 0.00 56.01 54.83 2wpw n LEU 320 Cb 0.11 -0.08 0.00 0.00 -1.62 0.00 0.00 43.42 41.82 2wpw n LEU 320 CO 0.10 0.57 0.00 0.61 -1.22 0.00 0.00 177.39 177.45 2wpw n GLY 321 N 1.31 0.23 3.68 -0.72 0.00 0.25 -4.54 105.19 105.40 2wpw n GLY 321 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 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 1.99 0.00 1.61 0.40 -1.03 -4.52 117.98 114.42 2wpw s PHE 322 Ca 0.00 -0.07 0.03 0.00 -0.60 0.00 0.00 56.93 56.29 2wpw s PHE 322 Cb 0.00 -4.16 -0.03 0.00 0.51 0.00 0.00 43.02 39.33 2wpw s PHE 322 CO 0.00 -4.88 -0.07 -1.21 0.70 0.00 0.00 175.22 169.76 2wpw s GLU 323 N 3.13 2.55 0.07 0.44 2.02 0.66 -4.12 118.70 123.44 2wpw s GLU 323 Ca 0.82 -0.72 -0.31 0.00 0.02 0.00 0.00 54.97 54.77 2wpw s GLU 323 Cb -0.44 -2.50 -0.07 0.00 0.10 0.00 0.00 34.13 31.22 2wpw s GLU 323 CO 0.37 0.60 1.35 -2.14 0.02 0.00 0.00 175.26 175.46 2wpw s PRO 324 N -1.40 4.34 0.03 0.39 0.02 -1.26 -0.56 135.00 136.56 2wpw s PRO 324 Ca 0.17 1.97 -0.03 0.00 0.02 0.00 0.00 61.00 63.13 2wpw s PRO 324 Cb -0.11 -3.36 -0.01 0.00 0.02 0.00 0.00 34.50 31.03 2wpw s PRO 324 CO 0.07 -0.43 -0.07 0.98 -0.33 0.00 0.00 177.00 177.22 2wpw n TYR 325 N 4.36 0.00 -4.30 6.54 9.36 -0.17 -4.77 117.16 128.17 2wpw n TYR 325 Ca 0.11 0.00 -0.16 0.00 3.32 0.00 0.00 57.90 61.17 2wpw n TYR 325 Cb 0.44 -0.09 -0.10 0.00 -0.63 0.00 0.00 39.34 38.95 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 -5.79 1.19 -0.20 2.98 1.47 -1.20 -4.17 116.67 110.95 2wpw s ASP 326 Ca -0.05 -1.35 -0.02 0.00 1.18 0.00 0.00 52.55 52.30 2wpw s ASP 326 Cb 0.01 0.16 -0.00 0.00 -0.34 0.00 0.00 42.92 42.74 2wpw s ASP 326 CO 0.08 -0.71 -0.08 -0.60 0.68 0.00 0.00 175.17 174.54 2wpw s ARG 327 N -4.02 3.31 -0.74 2.11 3.52 0.33 -1.79 118.95 121.67 2wpw s ARG 327 Ca 0.36 -0.67 -0.20 0.00 -0.13 0.00 0.00 55.73 55.09 2wpw s ARG 327 Cb 0.08 -2.87 0.10 0.00 -1.56 0.00 0.00 34.95 30.69 2wpw s ARG 327 CO 0.12 -0.13 0.96 -1.58 -0.81 0.00 0.00 175.30 173.86 2wpw s TRP 328 N 1.26 2.91 -0.12 5.12 0.51 -0.29 -0.10 118.94 128.22 2wpw s TRP 328 Ca 0.03 -0.94 -0.12 0.00 -2.12 0.00 0.00 56.10 52.95 2wpw s TRP 328 Cb -0.14 -4.22 -0.05 0.00 -0.81 0.00 0.00 33.47 28.25 2wpw s TRP 328 CO -0.04 -1.51 0.26 0.08 -0.51 0.00 0.00 176.95 175.23 2wpw s VAL 329 N 3.24 5.32 -0.12 4.03 1.01 0.93 -0.98 120.40 133.84 2wpw s VAL 329 Ca 0.23 0.47 -0.19 0.00 0.00 0.00 0.00 61.98 62.49 2wpw s VAL 329 Cb -0.14 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 2wpw s VAL 329 CO 0.03 0.50 0.54 -0.36 0.00 0.00 0.00 175.10 175.80 2wpw s PHE 330 N -0.26 3.51 0.33 5.22 0.08 -1.26 0.24 117.98 125.84 2wpw s PHE 330 Ca 0.17 0.96 0.07 0.00 0.12 0.00 0.00 56.93 58.25 2wpw s PHE 330 Cb -0.13 -2.63 -0.07 0.00 -0.57 0.00 0.00 43.02 39.63 2wpw s PHE 330 CO 0.05 0.12 -0.04 -1.58 -0.10 0.00 0.00 175.22 173.67 2wpw s TRP 331 N 0.78 2.21 -0.02 0.36 0.52 -0.37 -0.32 118.94 122.11 2wpw s TRP 331 Ca 0.28 -0.66 -0.14 0.00 0.02 0.00 0.00 56.10 55.60 2wpw s TRP 331 Cb -0.16 -1.35 0.02 0.00 -1.15 0.00 0.00 33.47 30.83 2wpw s TRP 331 CO 0.12 0.38 0.30 -0.08 0.02 0.00 0.00 176.95 177.69 2wpw s THR 332 N -2.86 0.06 0.08 2.01 -1.32 0.08 -2.27 115.64 111.41 2wpw s THR 332 Ca 0.32 -0.46 -0.13 0.00 -1.21 0.00 0.00 61.69 60.22 2wpw s THR 332 Cb 0.05 -0.60 0.02 0.00 -1.51 0.00 0.00 72.50 70.46 2wpw s THR 332 CO 0.15 -0.25 0.30 0.00 -2.21 0.00 0.00 174.62 172.61 2wpw s ALA 333 N -1.25 -0.62 0.26 11.08 0.00 0.01 -0.79 121.76 130.45 2wpw s ALA 333 Ca -0.13 -0.19 -0.30 0.00 0.00 0.00 0.00 51.96 51.34 2wpw s ALA 333 Cb -0.05 0.48 -0.09 0.00 0.00 0.00 0.00 23.12 23.46 2wpw s ALA 333 CO 0.04 -0.51 1.05 -1.21 0.00 0.00 0.00 175.76 175.13 2wpw s GLU 334 N -3.31 4.71 0.40 0.00 2.02 -1.26 0.62 118.70 121.88 2wpw s GLU 334 Ca 0.00 1.70 0.10 0.00 0.02 0.00 0.00 54.97 56.79 2wpw s GLU 334 Cb 0.02 -3.23 0.83 0.00 0.10 0.00 0.00 34.13 31.85 2wpw s GLU 334 CO -0.08 0.30 1.94 0.00 0.02 0.00 0.00 175.26 177.44 2wpw h ALA 335 N 4.02 1.56 0.00 5.21 0.00 -0.37 -3.44 119.26 126.24 2wpw h ALA 335 Ca -0.46 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.27 2wpw h ALA 335 Cb 1.21 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2wpw h ALA 335 CO 0.68 0.32 0.00 0.41 0.00 0.00 0.00 179.25 180.65 2wpw n GLY 336 N -0.96 -0.44 3.87 0.00 0.00 -1.26 -4.81 105.19 101.59 2wpw n GLY 336 Ca -0.01 -1.79 -0.29 0.00 0.00 0.00 0.00 46.02 43.93 2wpw n GLY 336 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2wpw s PRO 337 N -1.31 1.33 0.00 1.61 0.02 -1.26 -4.94 135.00 130.45 2wpw s PRO 337 Ca 0.00 0.01 0.07 0.00 0.02 0.00 0.00 61.00 61.11 2wpw s PRO 337 Cb 0.00 -1.89 0.01 0.00 0.02 0.00 0.00 34.50 32.65 2wpw s PRO 337 CO 0.00 -2.01 0.58 0.43 -0.33 0.00 0.00 177.00 175.67 2wpw n SER 338 N -3.58 1.17 0.00 2.53 7.64 -1.26 -5.10 113.62 115.02 2wpw n SER 338 Ca 0.10 -1.08 0.00 0.00 1.01 0.00 0.00 58.87 58.89 2wpw n SER 338 Cb 0.60 0.36 0.00 0.00 -1.01 0.00 0.00 64.21 64.16 2wpw n SER 338 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50