#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iaw n PRO 11 N 0.00 0.16 -0.53 5.31 -0.04 -1.26 -3.87 135.00 134.77 1iaw n PRO 11 Ca 0.00 0.00 0.43 0.00 -0.04 0.00 0.00 63.50 63.89 1iaw n PRO 11 Cb 0.00 -1.07 0.73 0.00 -0.04 0.00 0.00 33.50 33.11 1iaw n PRO 11 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1iaw h ASP 12 N 0.78 0.13 0.81 3.54 1.82 -2.05 2.24 116.42 123.69 1iaw h ASP 12 Ca 0.00 0.08 0.00 0.00 -0.39 0.00 0.00 57.03 56.72 1iaw h ASP 12 Cb 0.07 0.07 0.00 0.00 0.68 0.00 0.00 39.33 40.16 1iaw h ASP 12 CO 0.00 -0.11 -0.14 0.47 -1.61 0.00 0.00 179.24 177.86 1iaw n ASP 13 N -4.38 0.16 0.21 2.28 8.00 -1.25 -3.69 116.55 117.87 1iaw n ASP 13 Ca 0.39 0.21 -0.09 0.00 0.71 0.00 0.00 54.79 56.01 1iaw n ASP 13 Cb 1.64 -0.27 -0.04 0.00 -0.02 0.00 0.00 41.12 42.43 1iaw n ASP 13 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1iaw h ASP 14 N 0.04 -0.49 -0.15 -2.24 3.32 0.34 -1.94 116.42 115.30 1iaw h ASP 14 Ca 0.00 0.02 0.03 0.00 0.02 0.00 0.00 57.03 57.10 1iaw h ASP 14 Cb 0.48 0.13 -0.03 0.00 0.22 0.00 0.00 39.33 40.13 1iaw h ASP 14 CO 0.00 -0.14 -0.05 0.25 -1.72 0.00 0.00 179.24 177.58 1iaw h LEU 15 N -1.00 -0.17 -1.84 1.55 6.46 -1.72 0.21 115.31 118.80 1iaw h LEU 15 Ca -0.06 0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.75 1iaw h LEU 15 Cb 0.44 0.11 0.00 0.00 -0.73 0.00 0.00 40.66 40.48 1iaw h LEU 15 CO 0.10 -0.07 0.00 -0.08 -0.62 0.00 0.00 178.44 177.77 1iaw h GLU 16 N -0.02 0.00 0.00 1.25 4.81 -1.68 0.45 114.58 119.39 1iaw h GLU 16 Ca 0.07 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 59.04 1iaw h GLU 16 Cb 0.13 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.47 1iaw h GLU 16 CO -0.16 0.00 -1.72 -2.13 -0.73 0.00 0.00 179.01 174.26 1iaw n ARG 17 N -2.80 0.64 0.05 1.92 3.00 -0.56 -2.87 116.66 116.04 1iaw n ARG 17 Ca -0.01 0.24 -0.05 0.00 -0.00 0.00 0.00 57.85 58.03 1iaw n ARG 17 Cb 0.17 -1.76 0.16 0.00 0.00 0.00 0.00 32.46 31.02 1iaw n ARG 17 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1iaw h VAL 18 N 0.00 1.32 -0.12 5.15 2.07 0.56 -2.92 116.25 122.32 1iaw h VAL 18 Ca -0.28 -1.62 -0.14 0.00 0.82 0.00 0.00 66.70 65.48 1iaw h VAL 18 Cb 1.93 1.68 0.01 0.00 -1.52 0.00 0.00 31.29 33.39 1iaw h VAL 18 CO 0.06 0.49 -0.46 -0.09 0.02 0.00 0.00 177.57 177.60 1iaw h ARG 19 N 0.31 0.52 -0.72 1.57 2.43 -1.04 -2.63 114.38 114.81 1iaw h ARG 19 Ca 0.02 -0.40 0.06 0.00 -0.81 0.00 0.00 59.98 58.85 1iaw h ARG 19 Cb 0.90 0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 30.48 1iaw h ARG 19 CO 0.08 1.03 0.47 0.00 -1.51 0.00 0.00 179.97 180.03 1iaw h ALA 20 N 0.49 1.69 -0.02 2.80 0.00 -1.49 0.63 119.26 123.37 1iaw h ALA 20 Ca -0.02 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.69 1iaw h ALA 20 Cb 1.09 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1iaw h ALA 20 CO 0.10 0.20 -0.76 1.15 0.00 0.00 0.00 179.25 179.93 1iaw h THR 21 N 0.76 1.46 0.03 0.00 2.02 -1.51 -2.39 112.91 113.29 1iaw h THR 21 Ca 0.31 -2.39 -0.00 0.00 0.77 0.00 0.00 66.41 65.09 1iaw h THR 21 Cb 0.23 2.30 0.00 0.00 -1.74 0.00 0.00 68.15 68.94 1iaw h THR 21 CO -0.10 0.70 -0.02 -0.07 0.37 0.00 0.00 175.52 176.40 1iaw h LEU 22 N 0.11 -0.04 -0.45 2.58 3.38 -0.67 -1.95 115.31 118.27 1iaw h LEU 22 Ca -0.03 -0.59 0.00 0.00 0.09 0.00 0.00 57.88 57.35 1iaw h LEU 22 Cb 1.34 0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.10 1iaw h LEU 22 CO 0.11 0.60 0.00 -1.22 0.09 0.00 0.00 178.44 178.02 1iaw n TYR 23 N -4.80 0.25 -0.07 1.13 4.01 0.20 -1.31 117.16 116.57 1iaw n TYR 23 Ca -0.09 0.13 -0.21 0.00 -0.16 0.00 0.00 57.90 57.57 1iaw n TYR 23 Cb 0.31 -0.70 -0.12 0.00 -0.31 0.00 0.00 39.34 38.52 1iaw n TYR 23 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1iaw h SER 24 N 0.00 0.10 -0.24 7.72 0.87 -1.19 -2.99 113.55 117.82 1iaw h SER 24 Ca 0.00 -0.65 -0.10 0.00 -1.23 0.00 0.00 61.79 59.81 1iaw h SER 24 Cb 0.03 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 61.95 1iaw h SER 24 CO 0.00 1.51 -0.17 -0.07 -0.53 0.00 0.00 176.83 177.57 1iaw h LEU 25 N -0.78 0.68 -5.95 2.23 3.38 -0.62 -3.37 115.31 110.88 1iaw h LEU 25 Ca -0.32 -0.22 -0.48 0.00 0.09 0.00 0.00 57.88 56.96 1iaw h LEU 25 Cb 1.43 -0.18 -0.32 0.00 0.09 0.00 0.00 40.66 41.67 1iaw h LEU 25 CO -0.12 0.86 -0.87 -0.67 0.09 0.00 0.00 178.44 177.72 1iaw n ASP 26 N -4.14 -1.13 -0.34 -0.43 2.03 -0.43 -5.03 116.55 107.08 1iaw n ASP 26 Ca 0.01 -2.59 0.05 0.00 0.52 0.00 0.00 54.79 52.78 1iaw n ASP 26 Cb 0.39 0.04 0.20 0.00 -0.72 0.00 0.00 41.12 41.03 1iaw n ASP 26 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1iaw h PRO 27 N 5.15 0.91 0.00 -0.67 0.13 -1.69 -2.82 132.00 133.01 1iaw h PRO 27 Ca 0.17 -0.05 -0.17 0.00 -0.87 0.00 0.00 66.00 65.08 1iaw h PRO 27 Cb 0.95 -0.21 -0.03 0.00 0.13 0.00 0.00 31.00 31.85 1iaw h PRO 27 CO 0.31 0.60 -1.80 -0.25 -0.23 0.00 0.00 178.00 176.63 1iaw n ASP 28 N -4.65 0.41 0.00 1.44 8.00 -1.26 -4.94 116.55 115.55 1iaw n ASP 28 Ca 0.16 0.18 0.00 0.00 0.71 0.00 0.00 54.79 55.84 1iaw n ASP 28 Cb 0.30 0.87 0.00 0.00 -0.02 0.00 0.00 41.12 42.27 1iaw n ASP 28 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1iaw n GLY 29 N 1.44 0.93 0.15 0.44 0.00 -1.06 -4.89 105.19 102.20 1iaw n GLY 29 Ca -0.14 -0.12 0.13 0.00 0.00 0.00 0.00 46.02 45.89 1iaw n GLY 29 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1iaw h ASP 30 N 0.00 0.00 0.03 1.61 3.32 -1.94 -2.23 116.42 117.21 1iaw h ASP 30 Ca 0.00 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 1iaw h ASP 30 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1iaw h ASP 30 CO 0.00 0.00 -0.28 0.03 -1.72 0.00 0.00 179.24 177.27 1iaw h ARG 31 N 0.00 0.07 0.36 3.56 3.08 -1.94 -0.64 114.38 118.87 1iaw h ARG 31 Ca 0.00 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 1iaw h ARG 31 Cb 0.69 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.76 1iaw h ARG 31 CO 0.00 1.05 -0.42 1.15 -1.07 0.00 0.00 179.97 180.68 1iaw h THR 32 N -0.86 0.00 -1.00 2.04 2.02 -1.95 0.30 112.91 113.47 1iaw h THR 32 Ca -0.06 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.27 1iaw h THR 32 Cb 1.17 0.00 -0.16 0.00 -1.74 0.00 0.00 68.15 67.42 1iaw h THR 32 CO 0.02 0.00 -0.40 0.00 0.37 0.00 0.00 175.52 175.51 1iaw n ALA 33 N -2.74 -0.14 0.09 6.16 0.00 -0.84 0.90 120.51 123.94 1iaw n ALA 33 Ca -0.09 0.99 0.08 0.00 0.00 0.00 0.00 53.44 54.42 1iaw n ALA 33 Cb 0.37 -0.43 0.54 0.00 0.00 0.00 0.00 19.45 19.93 1iaw n ALA 33 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1iaw h GLY 34 N 0.00 0.30 1.37 0.00 0.00 -0.53 -2.23 103.07 101.98 1iaw h GLY 34 Ca 0.34 -0.11 -0.17 0.00 0.00 0.00 0.00 47.33 47.39 1iaw h GLY 34 CO -0.99 0.09 -0.57 -2.08 0.00 0.00 0.00 176.54 172.99 1iaw h VAL 35 N 0.27 1.31 -0.38 4.60 2.07 0.27 -2.26 116.25 122.12 1iaw h VAL 35 Ca 0.12 -1.81 -0.06 0.00 0.82 0.00 0.00 66.70 65.77 1iaw h VAL 35 Cb 0.14 1.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 1iaw h VAL 35 CO -0.02 0.57 0.00 -0.07 0.02 0.00 0.00 177.57 178.07 1iaw h LEU 36 N 0.50 0.66 0.36 2.57 3.38 -0.74 0.27 115.31 122.32 1iaw h LEU 36 Ca 0.00 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 1iaw h LEU 36 Cb 1.15 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 1iaw h LEU 36 CO 0.11 0.81 -0.31 -0.09 0.09 0.00 0.00 178.44 179.05 1iaw h ARG 37 N 0.50 -0.66 -0.82 1.13 9.65 -1.49 0.30 114.38 122.99 1iaw h ARG 37 Ca 0.11 0.04 0.09 0.00 -1.10 0.00 0.00 59.98 59.12 1iaw h ARG 37 Cb 0.47 0.15 -0.07 0.00 -1.39 0.00 0.00 29.97 29.13 1iaw h ARG 37 CO 0.02 -0.44 0.48 -0.44 2.80 0.00 0.00 179.97 182.39 1iaw h ASP 38 N -0.68 0.70 -0.04 -3.80 5.19 -1.30 -1.87 116.42 114.62 1iaw h ASP 38 Ca -0.03 0.04 -0.12 0.00 -0.62 0.00 0.00 57.03 56.30 1iaw h ASP 38 Cb 0.60 -0.10 -0.01 0.00 0.18 0.00 0.00 39.33 40.00 1iaw h ASP 38 CO -0.03 0.41 -0.36 0.74 -3.12 0.00 0.00 179.24 176.89 1iaw h THR 39 N 0.82 1.29 -0.24 0.35 2.02 -0.07 -1.08 112.91 116.00 1iaw h THR 39 Ca 0.39 -1.48 -0.02 0.00 0.77 0.00 0.00 66.41 66.06 1iaw h THR 39 Cb 0.32 1.49 -0.01 0.00 -1.74 0.00 0.00 68.15 68.21 1iaw h THR 39 CO -0.23 0.47 0.07 -0.07 0.37 0.00 0.00 175.52 176.13 1iaw h LEU 40 N 0.45 0.36 -1.60 2.58 3.38 -0.44 -0.89 115.31 119.15 1iaw h LEU 40 Ca 0.05 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.76 1iaw h LEU 40 Cb 0.83 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 1iaw h LEU 40 CO 0.07 0.48 -0.22 0.44 0.09 0.00 0.00 178.44 179.31 1iaw h ASP 41 N 0.23 0.00 -0.04 -0.43 3.45 -1.16 -1.65 116.42 116.82 1iaw h ASP 41 Ca 0.08 0.00 -0.03 0.00 0.43 0.00 0.00 57.03 57.51 1iaw h ASP 41 Cb 0.25 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.02 1iaw h ASP 41 CO -0.00 0.22 -0.08 -0.61 -1.57 0.00 0.00 179.24 177.19 1iaw h GLN 42 N 0.00 0.13 -0.77 3.56 4.15 -0.86 -2.99 115.11 118.32 1iaw h GLN 42 Ca -0.00 -0.08 0.02 0.00 0.77 0.00 0.00 58.65 59.35 1iaw h GLN 42 Cb 0.42 0.01 -0.04 0.00 0.21 0.00 0.00 27.48 28.08 1iaw h GLN 42 CO 0.03 0.66 0.50 1.25 -1.93 0.00 0.00 178.83 179.34 1iaw h LEU 43 N -0.39 0.85 -1.00 -2.39 5.85 -0.86 -2.31 115.31 115.06 1iaw h LEU 43 Ca 0.00 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 1iaw h LEU 43 Cb 0.66 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.44 1iaw h LEU 43 CO 0.02 0.61 0.58 1.88 -0.34 0.00 0.00 178.44 181.19 1iaw h TYR 44 N 1.01 1.22 -5.78 1.25 0.99 -1.37 -3.46 116.97 110.83 1iaw h TYR 44 Ca 0.29 0.01 -0.35 0.00 2.00 0.00 0.00 58.73 60.68 1iaw h TYR 44 Cb -0.07 -0.40 0.14 0.00 1.00 0.00 0.00 36.73 37.39 1iaw h TYR 44 CO -0.02 0.80 -0.80 -3.47 -0.00 0.00 0.00 178.16 174.66 1iaw n ASP 45 N -4.36 -2.39 -0.20 3.88 4.64 -0.87 -4.48 116.55 112.76 1iaw n ASP 45 Ca 0.11 -0.70 0.31 0.00 -1.38 0.00 0.00 54.79 53.12 1iaw n ASP 45 Cb 0.05 -4.76 0.68 0.00 -1.04 0.00 0.00 41.12 36.05 1iaw n ASP 45 CO 0.00 0.00 0.00 1.23 -0.82 0.00 0.00 177.20 177.61 1iaw h GLY 46 N -1.80 0.00 0.82 0.27 0.00 -1.74 -2.36 103.07 98.26 1iaw h GLY 46 Ca -0.60 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 46.62 1iaw h GLY 46 CO 0.51 0.00 -0.33 -1.61 0.00 0.00 0.00 176.54 175.11 1iaw h GLN 47 N 0.00 0.48 0.00 4.80 4.15 -1.89 -1.34 115.11 121.31 1iaw h GLN 47 Ca 0.46 -0.32 -0.12 0.00 0.77 0.00 0.00 58.65 59.44 1iaw h GLN 47 Cb 2.19 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 29.90 1iaw h GLN 47 CO -0.00 0.93 -1.16 0.07 -1.93 0.00 0.00 178.83 176.74 1iaw h ARG 48 N 0.09 0.00 -0.00 1.69 0.11 -1.80 -3.31 114.38 111.16 1iaw h ARG 48 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1iaw h ARG 48 Cb 0.93 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.01 1iaw h ARG 48 CO 0.07 0.26 -0.00 0.25 0.10 0.00 0.00 179.97 180.65 1iaw n THR 49 N -2.91 0.00 -1.39 0.08 -2.24 -0.93 -5.01 114.28 101.88 1iaw n THR 49 Ca -0.06 -0.50 -0.14 0.00 -2.27 0.00 0.00 64.05 61.08 1iaw n THR 49 Cb 0.76 1.00 -0.06 0.00 -2.10 0.00 0.00 70.33 69.93 1iaw n THR 49 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1iaw n GLY 50 N 0.12 1.36 3.85 3.38 0.00 -0.51 -4.96 105.19 108.44 1iaw n GLY 50 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1iaw n GLY 50 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1iaw s ARG 51 N -3.16 3.97 0.00 1.61 0.52 -1.26 -4.90 118.95 115.73 1iaw s ARG 51 Ca 0.00 0.56 0.00 0.00 -0.52 0.00 0.00 55.73 55.77 1iaw s ARG 51 Cb 0.00 -2.58 0.00 0.00 0.52 0.00 0.00 34.95 32.89 1iaw s ARG 51 CO 0.00 0.25 0.34 -2.67 0.02 0.00 0.00 175.30 173.24 1iaw n TRP 52 N -0.09 0.00 -3.83 -0.53 2.14 -1.26 -4.02 117.44 109.85 1iaw n TRP 52 Ca 0.01 0.00 -0.13 0.00 2.07 0.00 0.00 57.50 59.46 1iaw n TRP 52 Cb 0.53 0.01 -0.14 0.00 -0.81 0.00 0.00 31.31 30.89 1iaw n TRP 52 CO 0.00 0.00 0.00 1.21 2.07 0.00 0.00 177.69 180.97 1iaw s ASN 53 N 0.00 -0.02 0.44 -0.67 3.84 -1.26 -4.72 114.94 112.56 1iaw s ASN 53 Ca 0.00 0.08 0.19 0.00 0.21 0.00 0.00 52.86 53.33 1iaw s ASN 53 Cb 0.00 0.05 1.13 0.00 -0.55 0.00 0.00 41.25 41.88 1iaw s ASN 53 CO 0.00 -0.05 1.90 0.15 -2.79 0.00 0.00 177.10 176.32 1iaw h PHE 54 N 6.43 0.42 -0.00 0.43 3.57 -1.98 -1.93 116.94 123.87 1iaw h PHE 54 Ca -0.30 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.21 1iaw h PHE 54 Cb 1.18 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.80 1iaw h PHE 54 CO 0.43 0.14 -0.01 -0.40 -2.23 0.00 0.00 178.31 176.24 1iaw n ASP 55 N -4.46 0.08 -0.39 0.41 3.85 -1.26 -2.62 116.55 112.17 1iaw n ASP 55 Ca 0.16 -0.76 0.14 0.00 -0.71 0.00 0.00 54.79 53.62 1iaw n ASP 55 Cb 0.63 -0.08 0.56 0.00 -1.35 0.00 0.00 41.12 40.88 1iaw n ASP 55 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1iaw n GLN 56 N -1.03 1.47 -3.31 0.11 6.02 -0.73 -4.90 117.38 115.02 1iaw n GLN 56 Ca 0.21 -0.78 -0.34 0.00 -0.01 0.00 0.00 57.00 56.08 1iaw n GLN 56 Cb 0.17 -1.48 -0.06 0.00 1.02 0.00 0.00 30.24 29.88 1iaw n GLN 56 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1iaw s LEU 57 N -2.07 4.23 0.73 1.08 1.43 -1.08 -5.07 118.68 117.93 1iaw s LEU 57 Ca 0.37 1.10 -0.12 0.00 -1.03 0.00 0.00 54.13 54.45 1iaw s LEU 57 Cb 0.21 -3.59 0.03 0.00 0.03 0.00 0.00 46.19 42.87 1iaw s LEU 57 CO 0.36 -0.02 1.10 -1.00 0.23 0.00 0.00 176.35 177.02 1iaw s HIS 58 N -1.68 2.59 0.14 0.29 3.76 -1.26 -4.77 115.29 114.36 1iaw s HIS 58 Ca 0.45 1.55 -0.24 0.00 -0.15 0.00 0.00 55.06 56.67 1iaw s HIS 58 Cb -0.13 -3.10 0.00 0.00 1.11 0.00 0.00 32.58 30.46 1iaw s HIS 58 CO 0.20 -1.76 1.62 -0.22 -0.85 0.00 0.00 174.74 173.73 1iaw h LYS 59 N -0.66 -0.31 0.00 1.40 3.64 -1.99 -0.94 116.57 117.72 1iaw h LYS 59 Ca -0.45 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.95 1iaw h LYS 59 Cb 1.24 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.13 1iaw h LYS 59 CO 0.52 -0.20 0.00 1.79 -2.27 0.00 0.00 179.45 179.29 1iaw h THR 60 N -0.32 0.00 0.01 1.00 1.35 -2.01 -2.75 112.91 110.19 1iaw h THR 60 Ca 0.11 -0.25 -0.02 0.00 -0.55 0.00 0.00 66.41 65.71 1iaw h THR 60 Cb 0.50 1.12 0.00 0.00 -1.73 0.00 0.00 68.15 68.04 1iaw h THR 60 CO -0.36 0.00 -0.07 -0.33 -0.25 0.00 0.00 175.52 174.51 1iaw h GLU 61 N 0.00 0.04 -1.17 4.72 5.08 -1.57 -3.10 114.58 118.58 1iaw h GLU 61 Ca 0.00 -0.05 0.35 0.00 -1.00 0.00 0.00 59.36 58.66 1iaw h GLU 61 Cb 0.28 0.02 -0.11 0.00 0.50 0.00 0.00 28.75 29.43 1iaw h GLU 61 CO 0.00 0.90 0.75 0.87 -1.00 0.00 0.00 179.01 180.53 1iaw h LYS 62 N -0.80 0.23 -0.75 2.33 1.57 -1.02 0.61 116.57 118.74 1iaw h LYS 62 Ca -0.01 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1iaw h LYS 62 Cb 0.92 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 33.15 1iaw h LYS 62 CO 0.01 0.15 0.43 1.15 -0.57 0.00 0.00 179.45 180.62 1iaw h THR 63 N 0.23 1.22 -0.13 -0.16 2.02 -1.48 -2.27 112.91 112.34 1iaw h THR 63 Ca 0.71 -0.53 0.04 0.00 0.77 0.00 0.00 66.41 67.40 1iaw h THR 63 Cb 2.04 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 68.66 1iaw h THR 63 CO -0.37 0.24 0.18 -0.74 0.37 0.00 0.00 175.52 175.20 1iaw h HIS 64 N 1.03 0.00 -0.98 3.16 6.17 0.30 -2.51 115.15 122.32 1iaw h HIS 64 Ca 0.27 0.00 0.25 0.00 0.71 0.00 0.00 60.37 61.60 1iaw h HIS 64 Cb 0.01 0.00 -0.13 0.00 2.52 0.00 0.00 27.41 29.81 1iaw h HIS 64 CO -0.00 0.00 0.55 1.98 0.71 0.00 0.00 177.93 181.16 1iaw h MET 65 N 0.00 0.49 -0.40 5.26 -1.53 -1.37 0.16 114.93 117.54 1iaw h MET 65 Ca 0.06 -0.03 -0.12 0.00 -3.44 0.00 0.00 59.70 56.17 1iaw h MET 65 Cb 0.42 -0.11 -0.01 0.00 -0.55 0.00 0.00 31.60 31.35 1iaw h MET 65 CO -0.00 0.33 -0.21 0.78 0.14 0.00 0.00 176.91 177.95 1iaw h GLY 66 N 0.51 0.91 0.97 1.39 0.00 -1.66 0.25 103.07 105.44 1iaw h GLY 66 Ca 0.64 -0.83 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 1iaw h GLY 66 CO -0.50 0.76 0.19 -0.84 0.00 0.00 0.00 176.54 176.14 1iaw h THR 67 N 0.65 1.13 -0.57 4.70 2.02 -0.93 -0.40 112.91 119.51 1iaw h THR 67 Ca 0.09 -0.34 -0.06 0.00 0.77 0.00 0.00 66.41 66.87 1iaw h THR 67 Cb 0.77 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 67.89 1iaw h THR 67 CO 0.06 0.13 0.13 -0.07 0.37 0.00 0.00 175.52 176.15 1iaw h LEU 68 N 0.43 0.87 -0.29 2.58 3.38 -0.96 -2.19 115.31 119.14 1iaw h LEU 68 Ca 0.12 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 1iaw h LEU 68 Cb 0.05 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 1iaw h LEU 68 CO -0.02 0.89 0.17 0.58 0.09 0.00 0.00 178.44 180.15 1iaw h VAL 69 N 0.82 1.10 -0.25 1.22 2.07 -0.47 -0.16 116.25 120.59 1iaw h VAL 69 Ca 0.18 -0.24 0.01 0.00 0.82 0.00 0.00 66.70 67.47 1iaw h VAL 69 Cb 0.36 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 1iaw h VAL 69 CO 0.00 0.10 0.13 -0.08 0.02 0.00 0.00 177.57 177.74 1iaw h GLU 70 N 0.37 0.26 -0.85 1.57 4.22 -1.00 -1.64 114.58 117.52 1iaw h GLU 70 Ca 0.10 -0.02 -0.03 0.00 0.08 0.00 0.00 59.36 59.49 1iaw h GLU 70 Cb 0.01 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.16 1iaw h GLU 70 CO -0.02 0.17 0.41 0.82 -2.18 0.00 0.00 179.01 178.21 1iaw h ILE 71 N 0.27 1.26 -0.00 2.32 2.04 -1.19 -2.03 117.51 120.19 1iaw h ILE 71 Ca 0.10 -0.74 -0.24 0.00 1.00 0.00 0.00 64.86 64.98 1iaw h ILE 71 Cb 0.01 0.17 0.01 0.00 -0.74 0.00 0.00 36.82 36.28 1iaw h ILE 71 CO -0.06 0.32 -0.96 0.78 0.00 0.00 0.00 178.15 178.22 1iaw h ASN 72 N 1.22 0.65 0.13 1.72 2.35 -0.85 -2.17 115.58 118.63 1iaw h ASN 72 Ca 0.29 -0.52 -0.08 0.00 -0.55 0.00 0.00 56.30 55.44 1iaw h ASN 72 Cb 0.13 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 1iaw h ASN 72 CO -0.04 1.31 -0.29 -0.07 -1.65 0.00 0.00 177.43 176.70 1iaw h LEU 73 N 0.29 0.26 -0.28 1.61 3.38 -1.29 0.54 115.31 119.81 1iaw h LEU 73 Ca -0.09 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 1iaw h LEU 73 Cb 1.60 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 42.27 1iaw h LEU 73 CO 0.17 0.55 0.17 -0.74 0.09 0.00 0.00 178.44 178.69 1iaw h HIS 74 N 0.23 0.37 -0.26 1.13 2.76 -1.23 -1.20 115.15 116.95 1iaw h HIS 74 Ca 0.03 0.00 -0.14 0.00 -2.20 0.00 0.00 60.37 58.06 1iaw h HIS 74 Cb 0.64 -0.12 -0.00 0.00 1.55 0.00 0.00 27.41 29.48 1iaw h HIS 74 CO 0.01 0.27 -0.40 0.00 -1.30 0.00 0.00 177.93 176.51 1iaw h ARG 75 N 0.36 0.72 -0.03 5.26 3.08 -1.05 -0.21 114.38 122.50 1iaw h ARG 75 Ca 0.10 -0.43 0.02 0.00 0.07 0.00 0.00 59.98 59.73 1iaw h ARG 75 Cb 0.01 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 1iaw h ARG 75 CO -0.02 1.05 -0.06 1.49 -1.07 0.00 0.00 179.97 181.37 1iaw h GLU 76 N 0.45 -0.08 -0.63 0.04 4.57 -0.69 -2.94 114.58 115.29 1iaw h GLU 76 Ca 0.02 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 1iaw h GLU 76 Cb 0.99 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.60 1iaw h GLU 76 CO 0.09 -0.06 0.00 1.19 -1.18 0.00 0.00 179.01 179.06 1iaw n PHE 77 N -5.18 0.84 -4.22 0.92 3.01 -0.47 -4.96 117.46 107.40 1iaw n PHE 77 Ca -0.05 -0.42 -0.32 0.00 1.01 0.00 0.00 57.45 57.67 1iaw n PHE 77 Cb 0.11 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.52 1iaw n PHE 77 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 1iaw n GLN 78 N 1.44 -1.99 -1.28 -1.08 1.13 -0.13 -4.87 117.38 110.60 1iaw n GLN 78 Ca 0.22 0.24 -0.33 0.00 -1.94 0.00 0.00 57.00 55.19 1iaw n GLN 78 Cb 0.56 -4.26 0.10 0.00 0.11 0.00 0.00 30.24 26.76 1iaw n GLN 78 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 1iaw s PHE 79 N -3.94 2.11 0.34 1.08 0.08 -0.99 -5.00 117.98 111.66 1iaw s PHE 79 Ca 0.22 1.63 -0.04 0.00 0.12 0.00 0.00 56.93 58.86 1iaw s PHE 79 Cb -0.13 -3.33 -0.05 0.00 -0.57 0.00 0.00 43.02 38.94 1iaw s PHE 79 CO 0.96 -2.40 0.60 0.20 -0.10 0.00 0.00 175.22 174.48 1iaw s GLY 80 N -2.47 1.72 0.50 4.36 0.00 -1.25 -4.97 107.32 105.22 1iaw s GLY 80 Ca 0.69 -0.58 -0.20 0.00 0.00 0.00 0.00 44.72 44.63 1iaw s GLY 80 CO 0.49 -0.47 1.08 0.99 0.00 0.00 0.00 173.10 175.19 1iaw s ASP 81 N -3.45 6.12 0.34 1.64 1.01 -1.26 -1.20 116.67 119.88 1iaw s ASP 81 Ca 0.44 2.06 -0.06 0.00 0.71 0.00 0.00 52.55 55.70 1iaw s ASP 81 Cb -0.10 -2.57 -0.05 0.00 1.01 0.00 0.00 42.92 41.20 1iaw s ASP 81 CO 0.33 -0.94 0.64 -0.83 0.21 0.00 0.00 175.17 174.59 1iaw s GLY 82 N -1.82 1.83 0.18 0.21 0.00 -1.03 -4.06 107.32 102.63 1iaw s GLY 82 Ca 0.68 -0.46 -0.10 0.00 0.00 0.00 0.00 44.72 44.85 1iaw s GLY 82 CO 0.24 -0.32 1.66 -2.75 0.00 0.00 0.00 173.10 171.93 1iaw h PHE 83 N 1.39 1.14 0.00 1.90 3.04 -1.95 -3.35 116.94 119.10 1iaw h PHE 83 Ca -0.48 -0.17 0.00 0.00 3.98 0.00 0.00 57.97 61.30 1iaw h PHE 83 Cb 1.19 -0.31 0.00 0.00 2.56 0.00 0.00 35.95 39.40 1iaw h PHE 83 CO 0.58 0.98 0.00 -1.91 -2.02 0.00 0.00 178.31 175.94 1iaw n GLU 84 N -4.23 3.46 -3.79 1.11 2.13 -1.26 -5.08 120.64 112.97 1iaw n GLU 84 Ca 0.03 -0.02 -0.24 0.00 0.66 0.00 0.00 57.16 57.60 1iaw n GLU 84 Cb 0.31 -0.29 -0.03 0.00 0.27 0.00 0.00 31.44 31.70 1iaw n GLU 84 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1iaw n THR 85 N -0.50 0.00 -0.14 6.31 -2.24 -1.26 -5.04 114.28 111.41 1iaw n THR 85 Ca 0.00 -1.87 -0.10 0.00 -2.27 0.00 0.00 64.05 59.81 1iaw n THR 85 Cb 0.01 0.14 -0.01 0.00 -2.10 0.00 0.00 70.33 68.37 1iaw n THR 85 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1iaw h ASP 86 N 0.77 0.71 -5.22 3.42 3.32 -1.85 -2.72 116.42 114.85 1iaw h ASP 86 Ca -0.31 -0.31 -0.31 0.00 0.02 0.00 0.00 57.03 56.12 1iaw h ASP 86 Cb 1.04 -0.19 -0.15 0.00 0.22 0.00 0.00 39.33 40.25 1iaw h ASP 86 CO 0.51 0.84 -0.60 -0.31 -1.72 0.00 0.00 179.24 177.96 1iaw s TYR 87 N -5.01 1.35 -0.09 4.55 4.12 0.59 -3.21 117.35 119.66 1iaw s TYR 87 Ca -0.13 -1.35 -0.01 0.00 0.02 0.00 0.00 57.07 55.60 1iaw s TYR 87 Cb 0.10 -0.70 0.03 0.00 -1.52 0.00 0.00 41.96 39.88 1iaw s TYR 87 CO 0.80 -0.56 -0.01 -2.00 0.02 0.00 0.00 175.55 173.79 1iaw s GLU 88 N -4.04 0.82 -0.06 -0.62 2.12 -0.34 0.04 118.70 116.62 1iaw s GLU 88 Ca 0.38 -0.02 0.00 0.00 0.36 0.00 0.00 54.97 55.70 1iaw s GLU 88 Cb 0.07 -1.20 0.02 0.00 0.26 0.00 0.00 34.13 33.28 1iaw s GLU 88 CO 0.14 -0.32 -0.05 0.42 -0.54 0.00 0.00 175.26 174.91 1iaw s ILE 89 N 1.90 0.61 -1.46 -3.70 1.01 -0.68 -3.75 121.20 115.14 1iaw s ILE 89 Ca 0.05 -0.12 -0.10 0.00 0.00 0.00 0.00 60.65 60.47 1iaw s ILE 89 Cb -0.13 -0.65 0.05 0.00 0.01 0.00 0.00 42.46 41.74 1iaw s ILE 89 CO -0.06 0.26 0.81 0.00 0.00 0.00 0.00 174.94 175.95 1iaw n ALA 90 N 4.37 -1.16 -1.01 9.38 0.00 -1.26 -0.56 120.51 130.26 1iaw n ALA 90 Ca -0.19 0.22 -0.00 0.00 0.00 0.00 0.00 53.44 53.46 1iaw n ALA 90 Cb 0.51 -4.10 -0.00 0.00 0.00 0.00 0.00 19.45 15.86 1iaw n ALA 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iaw n GLY 91 N -1.57 0.16 3.65 0.00 0.00 -1.26 -4.97 105.19 101.19 1iaw n GLY 91 Ca -0.01 -0.01 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 1iaw n GLY 91 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iaw s VAL 92 N -1.29 4.95 0.15 1.61 1.01 0.27 -5.06 120.40 122.03 1iaw s VAL 92 Ca 0.00 0.03 -0.31 0.00 0.00 0.00 0.00 61.98 61.70 1iaw s VAL 92 Cb 0.00 -3.25 -0.09 0.00 0.00 0.00 0.00 36.38 33.05 1iaw s VAL 92 CO 0.00 0.44 1.41 -1.10 0.00 0.00 0.00 175.10 175.85 1iaw s GLN 93 N 0.49 4.31 -0.02 2.72 -1.52 -1.26 -1.68 119.66 122.69 1iaw s GLN 93 Ca 0.05 2.14 -0.00 0.00 -1.95 0.00 0.00 55.36 55.59 1iaw s GLN 93 Cb -0.12 -3.21 0.03 0.00 -0.22 0.00 0.00 33.01 29.49 1iaw s GLN 93 CO 0.00 -0.44 0.04 0.08 -0.25 0.00 0.00 175.29 174.72 1iaw s VAL 94 N 0.86 -0.06 -0.03 1.09 1.01 0.11 -3.94 120.40 119.43 1iaw s VAL 94 Ca 0.64 0.22 -0.03 0.00 0.00 0.00 0.00 61.98 62.81 1iaw s VAL 94 Cb -0.38 -0.09 -0.04 0.00 0.00 0.00 0.00 36.38 35.87 1iaw s VAL 94 CO 0.33 0.09 0.14 -1.81 0.00 0.00 0.00 175.10 173.84 1iaw s ASP 95 N 1.08 6.14 -0.19 3.32 -0.00 -0.94 -0.30 116.67 125.78 1iaw s ASP 95 Ca -0.09 0.31 -0.12 0.00 -0.00 0.00 0.00 52.55 52.65 1iaw s ASP 95 Cb -0.13 -1.89 -0.05 0.00 -0.00 0.00 0.00 42.92 40.85 1iaw s ASP 95 CO -0.03 0.30 0.21 0.00 -0.00 0.00 0.00 175.17 175.65 1iaw s LYS 97 N 0.51 0.75 0.02 0.00 -0.14 -0.64 -4.95 119.74 115.29 1iaw s LYS 97 Ca 0.12 -0.29 0.00 0.00 -1.36 0.00 0.00 55.97 54.44 1iaw s LYS 97 Cb -0.12 -0.72 -0.02 0.00 -1.68 0.00 0.00 37.83 35.29 1iaw s LYS 97 CO 0.01 0.15 -0.03 0.12 -0.76 0.00 0.00 175.35 174.84 1iaw s PHE 98 N -0.06 0.30 -0.09 3.18 5.36 -1.26 -0.96 117.98 124.45 1iaw s PHE 98 Ca 0.01 -0.53 -0.22 0.00 -0.96 0.00 0.00 56.93 55.23 1iaw s PHE 98 Cb -0.05 -0.21 0.05 0.00 -0.34 0.00 0.00 43.02 42.47 1iaw s PHE 98 CO -0.00 -0.18 0.52 0.45 -1.46 0.00 0.00 175.22 174.55 1iaw s SER 99 N -1.49 -0.49 0.21 6.13 0.15 -1.01 -4.77 113.70 112.43 1iaw s SER 99 Ca -0.15 0.65 0.25 0.00 0.70 0.00 0.00 55.95 57.39 1iaw s SER 99 Cb -0.10 0.66 0.90 0.00 -1.71 0.00 0.00 66.02 65.77 1iaw s SER 99 CO -0.01 -0.42 1.74 1.15 1.20 0.00 0.00 173.24 176.90 1iaw n MET 100 N 1.62 0.20 -4.03 5.44 0.00 -1.26 -4.11 117.12 114.99 1iaw n MET 100 Ca -0.18 0.29 -0.35 0.00 0.00 0.00 0.00 57.70 57.46 1iaw n MET 100 Cb 0.56 -1.80 -0.14 0.00 0.00 0.00 0.00 33.22 31.84 1iaw n MET 100 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 1iaw s SER 101 N -4.23 4.13 0.04 3.17 0.01 -1.26 -4.78 113.70 110.79 1iaw s SER 101 Ca 0.08 -0.41 -0.38 0.00 1.31 0.00 0.00 55.95 56.55 1iaw s SER 101 Cb 0.11 -1.69 -0.17 0.00 0.21 0.00 0.00 66.02 64.47 1iaw s SER 101 CO 0.49 0.00 1.30 1.67 0.41 0.00 0.00 173.24 177.11 1iaw n GLN 102 N 4.63 0.87 -0.95 12.44 -0.06 -1.26 -1.37 117.38 131.68 1iaw n GLN 102 Ca -0.19 0.32 0.00 0.00 -2.00 0.00 0.00 57.00 55.13 1iaw n GLN 102 Cb 0.51 -1.93 0.00 0.00 -4.06 0.00 0.00 30.24 24.76 1iaw n GLN 102 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1iaw n GLY 103 N 2.38 0.23 1.56 1.69 0.00 -1.26 -4.89 105.19 104.90 1iaw n GLY 103 Ca 0.19 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.29 1iaw n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iaw n ALA 104 N 1.00 3.22 -1.59 4.61 0.00 -0.47 -4.57 120.51 122.70 1iaw n ALA 104 Ca 0.00 -1.52 -0.44 0.00 0.00 0.00 0.00 53.44 51.48 1iaw n ALA 104 Cb 0.25 -1.05 -0.01 0.00 0.00 0.00 0.00 19.45 18.64 1iaw n ALA 104 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 1iaw n TRP 105 N 0.94 1.29 -3.20 0.00 8.01 -1.26 -4.92 117.44 118.29 1iaw n TRP 105 Ca 0.24 0.69 -0.43 0.00 -1.31 0.00 0.00 57.50 56.69 1iaw n TRP 105 Cb 0.90 -2.25 -0.07 0.00 -2.01 0.00 0.00 31.31 27.87 1iaw n TRP 105 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 1iaw s MET 106 N -1.59 3.17 -0.36 -0.99 -1.94 -1.26 -4.47 119.30 111.86 1iaw s MET 106 Ca 0.59 -0.64 -0.16 0.00 -1.71 0.00 0.00 55.69 53.77 1iaw s MET 106 Cb -0.69 -3.99 -0.00 0.00 2.01 0.00 0.00 34.83 32.16 1iaw s MET 106 CO 0.60 -1.00 0.38 -0.51 -0.01 0.00 0.00 175.02 174.48 1iaw s LEU 107 N 2.50 4.55 0.71 -0.03 1.43 -0.29 -4.88 118.68 122.68 1iaw s LEU 107 Ca 0.17 -0.34 -0.11 0.00 -1.03 0.00 0.00 54.13 52.81 1iaw s LEU 107 Cb -0.16 -2.35 0.02 0.00 0.03 0.00 0.00 46.19 43.72 1iaw s LEU 107 CO 0.15 -0.40 1.09 -2.16 0.23 0.00 0.00 176.35 175.27 1iaw s PRO 108 N 2.04 2.79 0.27 1.29 0.04 -1.26 -0.84 135.00 139.33 1iaw s PRO 108 Ca 0.12 0.50 -0.03 0.00 0.04 0.00 0.00 61.00 61.62 1iaw s PRO 108 Cb -0.17 -2.01 0.37 0.00 0.04 0.00 0.00 34.50 32.73 1iaw s PRO 108 CO 0.12 -1.10 1.91 -1.00 0.04 0.00 0.00 177.00 176.98 1iaw h PRO 109 N -0.70 1.20 0.00 0.56 0.13 -1.90 -1.51 132.00 129.77 1iaw h PRO 109 Ca -0.45 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 1iaw h PRO 109 Cb 1.25 -0.27 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1iaw h PRO 109 CO 0.63 0.79 0.00 -0.85 -0.23 0.00 0.00 178.00 178.34 1iaw n GLU 110 N -4.44 0.16 0.00 0.86 0.00 -1.26 -1.53 120.64 114.43 1iaw n GLU 110 Ca 0.13 0.13 0.10 0.00 0.00 0.00 0.00 57.16 57.53 1iaw n GLU 110 Cb 0.10 -1.50 -0.04 0.00 0.00 0.00 0.00 31.44 30.00 1iaw n GLU 110 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 1iaw n SER 111 N -1.18 0.87 -4.70 -1.84 3.41 -0.57 -4.91 113.62 104.70 1iaw n SER 111 Ca 0.04 -0.81 -0.43 0.00 -0.26 0.00 0.00 58.87 57.41 1iaw n SER 111 Cb 0.05 0.85 -0.03 0.00 -0.26 0.00 0.00 64.21 64.82 1iaw n SER 111 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1iaw n ILE 112 N -1.52 0.02 0.00 -1.33 5.41 -0.58 -1.57 119.36 119.79 1iaw n ILE 112 Ca 0.04 -0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.79 1iaw n ILE 112 Cb 0.34 -1.88 0.00 0.00 -0.71 0.00 0.00 39.64 37.39 1iaw n ILE 112 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1iaw n GLY 113 N 3.85 0.86 3.99 7.39 0.00 -0.21 -5.01 105.19 116.06 1iaw n GLY 113 Ca 0.16 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.00 1iaw n GLY 113 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1iaw s HIS 114 N -2.23 2.43 -0.10 1.61 3.76 -0.61 -4.83 115.29 115.31 1iaw s HIS 114 Ca 0.00 -0.51 -0.09 0.00 -0.15 0.00 0.00 55.06 54.31 1iaw s HIS 114 Cb 0.00 -2.28 -0.04 0.00 1.11 0.00 0.00 32.58 31.36 1iaw s HIS 114 CO 0.00 -0.53 0.21 0.42 -0.85 0.00 0.00 174.74 173.99 1iaw s ILE 115 N -2.46 5.38 -0.07 0.60 1.01 -1.25 -1.28 121.20 123.12 1iaw s ILE 115 Ca 0.54 0.37 0.04 0.00 0.00 0.00 0.00 60.65 61.61 1iaw s ILE 115 Cb -0.07 -3.49 -0.00 0.00 0.01 0.00 0.00 42.46 38.90 1iaw s ILE 115 CO 0.33 0.58 -0.21 0.00 0.00 0.00 0.00 174.94 175.64 1iaw s LEU 117 N 0.20 4.33 -0.21 0.00 2.96 0.28 -2.08 118.68 124.17 1iaw s LEU 117 Ca -0.11 -0.71 -0.15 0.00 -0.22 0.00 0.00 54.13 52.94 1iaw s LEU 117 Cb -0.15 -2.60 -0.04 0.00 0.50 0.00 0.00 46.19 43.90 1iaw s LEU 117 CO 0.05 -1.28 0.36 0.68 -1.32 0.00 0.00 176.35 174.84 1iaw s VAL 118 N 3.84 5.22 0.07 1.68 -7.23 -0.82 -1.61 120.40 121.55 1iaw s VAL 118 Ca 0.25 0.62 0.08 0.00 -1.81 0.00 0.00 61.98 61.12 1iaw s VAL 118 Cb -0.15 -3.69 -0.03 0.00 0.56 0.00 0.00 36.38 33.06 1iaw s VAL 118 CO 0.14 0.26 -0.21 -0.63 -0.31 0.00 0.00 175.10 174.35 1iaw s ILE 119 N 1.31 1.71 0.03 -0.62 1.01 -0.13 -1.00 121.20 123.51 1iaw s ILE 119 Ca 0.17 -1.35 -0.00 0.00 0.00 0.00 0.00 60.65 59.47 1iaw s ILE 119 Cb -0.15 -1.51 -0.03 0.00 0.01 0.00 0.00 42.46 40.78 1iaw s ILE 119 CO 0.07 0.10 -0.04 0.86 0.00 0.00 0.00 174.94 175.94 1iaw s TRP 120 N -0.95 0.39 -0.04 3.97 -0.00 -0.79 -2.42 118.94 119.11 1iaw s TRP 120 Ca 0.07 -0.68 -0.24 0.00 -0.00 0.00 0.00 56.10 55.25 1iaw s TRP 120 Cb -0.09 -0.27 0.05 0.00 -0.00 0.00 0.00 33.47 33.15 1iaw s TRP 120 CO 0.03 -0.23 0.52 0.00 -0.00 0.00 0.00 176.95 177.27 1iaw s ALA 121 N -2.18 -1.35 -0.31 5.86 0.00 -1.26 -1.37 121.76 121.15 1iaw s ALA 121 Ca -0.08 0.93 -0.02 0.00 0.00 0.00 0.00 51.96 52.78 1iaw s ALA 121 Cb -0.05 -0.01 0.12 0.00 0.00 0.00 0.00 23.12 23.19 1iaw s ALA 121 CO -0.03 -0.32 0.20 0.45 0.00 0.00 0.00 175.76 176.05 1iaw s SER 122 N -1.19 2.89 0.54 0.00 0.15 0.73 -4.78 113.70 112.05 1iaw s SER 122 Ca -0.12 -1.37 0.22 0.00 0.70 0.00 0.00 55.95 55.38 1iaw s SER 122 Cb -0.02 -0.12 1.48 0.00 -1.71 0.00 0.00 66.02 65.65 1iaw s SER 122 CO 0.07 -0.39 2.18 -0.78 1.20 0.00 0.00 173.24 175.52 1iaw h ASP 123 N 8.03 0.00 0.94 5.45 3.58 -1.96 -1.24 116.42 131.21 1iaw h ASP 123 Ca -0.12 0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.26 1iaw h ASP 123 Cb 1.02 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.06 1iaw h ASP 123 CO 0.37 0.02 -0.34 -0.61 -2.88 0.00 0.00 179.24 175.80 1iaw h GLN 124 N 0.00 0.00 -0.25 0.28 5.75 -1.94 -2.90 115.11 116.05 1iaw h GLN 124 Ca -0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1iaw h GLN 124 Cb 0.04 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.59 1iaw h GLN 124 CO 0.00 0.34 0.00 1.04 -2.65 0.00 0.00 178.83 177.56 1iaw n GLN 125 N -3.46 2.78 -3.85 1.69 6.02 -0.58 -4.96 117.38 115.03 1iaw n GLN 125 Ca 0.00 -2.55 -0.29 0.00 -0.01 0.00 0.00 57.00 54.15 1iaw n GLN 125 Cb 0.50 -1.63 -0.05 0.00 1.02 0.00 0.00 30.24 30.09 1iaw n GLN 125 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1iaw s ALA 127 N -2.88 1.06 0.09 0.00 0.00 -0.81 -0.72 121.76 118.49 1iaw s ALA 127 Ca 0.56 -0.98 -0.10 0.00 0.00 0.00 0.00 51.96 51.44 1iaw s ALA 127 Cb -0.32 -0.06 0.00 0.00 0.00 0.00 0.00 23.12 22.74 1iaw s ALA 127 CO 0.69 0.11 0.22 1.67 0.00 0.00 0.00 175.76 178.45 1iaw s TRP 128 N -1.42 0.08 0.02 0.00 1.48 -1.26 -0.20 118.94 117.64 1iaw s TRP 128 Ca -0.03 -0.47 -0.01 0.00 -1.06 0.00 0.00 56.10 54.53 1iaw s TRP 128 Cb -0.09 -0.01 -0.02 0.00 -1.16 0.00 0.00 33.47 32.20 1iaw s TRP 128 CO 0.02 -0.55 0.00 0.95 -4.06 0.00 0.00 176.95 173.31 1iaw s THR 129 N -3.68 0.10 -0.02 0.66 -4.23 -0.47 -4.98 115.64 103.02 1iaw s THR 129 Ca 0.03 -0.85 0.02 0.00 -1.18 0.00 0.00 61.69 59.71 1iaw s THR 129 Cb 0.04 -0.29 0.00 0.00 1.34 0.00 0.00 72.50 73.59 1iaw s THR 129 CO -0.10 -0.47 -0.06 0.00 -0.54 0.00 0.00 174.62 173.45 1iaw s ALA 130 N -1.41 0.59 0.36 3.99 0.00 -1.26 -1.88 121.76 122.14 1iaw s ALA 130 Ca -0.15 -0.22 -0.01 0.00 0.00 0.00 0.00 51.96 51.58 1iaw s ALA 130 Cb -0.09 -0.22 0.00 0.00 0.00 0.00 0.00 23.12 22.81 1iaw s ALA 130 CO -0.01 0.10 0.48 0.20 0.00 0.00 0.00 175.76 176.53 1iaw s GLY 131 N 0.13 1.62 -0.01 0.00 0.00 -0.17 -0.51 107.32 108.38 1iaw s GLY 131 Ca -0.01 -1.59 0.01 0.00 0.00 0.00 0.00 44.72 43.12 1iaw s GLY 131 CO -0.00 -1.04 -0.01 1.08 0.00 0.00 0.00 173.10 173.13 1iaw s LEU 132 N -3.27 1.85 -0.16 0.66 1.43 -0.69 -1.95 118.68 116.56 1iaw s LEU 132 Ca 0.31 -0.03 -0.18 0.00 -1.03 0.00 0.00 54.13 53.20 1iaw s LEU 132 Cb -0.01 -0.11 0.05 0.00 0.03 0.00 0.00 46.19 46.16 1iaw s LEU 132 CO 0.22 -0.00 0.50 0.54 0.23 0.00 0.00 176.35 177.84 1iaw s VAL 133 N 0.15 0.01 -0.26 -1.59 0.11 -0.88 -0.63 120.40 117.30 1iaw s VAL 133 Ca -0.01 -0.05 -0.18 0.00 -2.93 0.00 0.00 61.98 58.81 1iaw s VAL 133 Cb -0.03 -0.72 -0.03 0.00 -1.53 0.00 0.00 36.38 34.07 1iaw s VAL 133 CO -0.00 -0.03 0.52 -0.75 -3.33 0.00 0.00 175.10 171.51 1iaw s LYS 134 N -0.03 4.07 -0.03 1.54 2.20 -1.26 -0.40 119.74 125.83 1iaw s LYS 134 Ca -0.02 0.34 -0.30 0.00 -0.36 0.00 0.00 55.97 55.62 1iaw s LYS 134 Cb -0.03 -3.65 -0.05 0.00 -1.51 0.00 0.00 37.83 32.58 1iaw s LYS 134 CO 0.02 -0.36 1.47 0.08 -0.36 0.00 0.00 175.35 176.20 1iaw s VAL 135 N 2.32 3.72 -0.08 4.02 1.01 -0.41 -4.95 120.40 126.04 1iaw s VAL 135 Ca 0.21 1.02 -0.00 0.00 0.00 0.00 0.00 61.98 63.21 1iaw s VAL 135 Cb -0.16 -3.65 0.02 0.00 0.00 0.00 0.00 36.38 32.59 1iaw s VAL 135 CO 0.09 -0.04 -0.06 -0.63 0.00 0.00 0.00 175.10 174.47 1iaw s ILE 136 N 3.02 0.77 0.44 2.22 1.01 -1.26 -1.04 121.20 126.36 1iaw s ILE 136 Ca 0.66 -0.17 0.34 0.00 0.00 0.00 0.00 60.65 61.47 1iaw s ILE 136 Cb -0.31 -0.81 0.52 0.00 0.01 0.00 0.00 42.46 41.87 1iaw s ILE 136 CO 0.26 0.31 1.53 -0.81 0.00 0.00 0.00 174.94 176.23 1iaw n PRO 137 N 4.66 -0.03 0.00 2.79 -0.04 -1.26 -0.15 135.00 140.97 1iaw n PRO 137 Ca -0.15 1.22 0.14 0.00 -0.04 0.00 0.00 63.50 64.67 1iaw n PRO 137 Cb 0.50 -2.43 0.82 0.00 -0.04 0.00 0.00 33.50 32.36 1iaw n PRO 137 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1iaw n GLN 138 N -4.60 0.86 -0.03 0.54 3.00 -1.26 -2.56 117.38 113.34 1iaw n GLN 138 Ca 0.40 0.00 0.05 0.00 -0.01 0.00 0.00 57.00 57.44 1iaw n GLN 138 Cb 1.59 -1.50 0.05 0.00 0.00 0.00 0.00 30.24 30.38 1iaw n GLN 138 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 1iaw n PHE 139 N -1.01 0.07 -3.67 1.08 0.99 0.79 -4.95 117.46 110.76 1iaw n PHE 139 Ca 0.21 -0.10 -0.32 0.00 -0.00 0.00 0.00 57.45 57.24 1iaw n PHE 139 Cb 0.10 -0.01 -0.05 0.00 -1.00 0.00 0.00 39.48 38.52 1iaw n PHE 139 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 1iaw s LEU 140 N -0.80 4.29 0.00 4.37 1.43 -1.06 0.93 118.68 127.84 1iaw s LEU 140 Ca 0.12 0.61 0.00 0.00 -1.03 0.00 0.00 54.13 53.83 1iaw s LEU 140 Cb 0.08 -3.19 0.00 0.00 0.03 0.00 0.00 46.19 43.11 1iaw s LEU 140 CO 0.12 0.09 0.00 0.61 0.23 0.00 0.00 176.35 177.40 1iaw n GLY 141 N 0.32 1.25 3.74 -3.19 0.00 0.98 -4.77 105.19 103.51 1iaw n GLY 141 Ca -0.04 -1.86 -0.33 0.00 0.00 0.00 0.00 46.02 43.79 1iaw n GLY 141 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1iaw s THR 142 N 1.60 2.75 0.21 2.61 2.01 -1.26 -4.67 115.64 118.89 1iaw s THR 142 Ca 0.00 0.31 -0.02 0.00 0.31 0.00 0.00 61.69 62.29 1iaw s THR 142 Cb 0.00 -2.74 -0.05 0.00 0.01 0.00 0.00 72.50 69.72 1iaw s THR 142 CO 0.00 -0.25 0.42 0.00 -0.69 0.00 0.00 174.62 174.10 1iaw s ALA 143 N -2.41 3.78 0.30 7.40 0.00 -1.26 -4.30 121.76 125.27 1iaw s ALA 143 Ca 0.68 -0.74 0.02 0.00 0.00 0.00 0.00 51.96 51.92 1iaw s ALA 143 Cb -0.23 -2.08 0.04 0.00 0.00 0.00 0.00 23.12 20.85 1iaw s ALA 143 CO 0.49 0.42 0.27 0.27 0.00 0.00 0.00 175.76 177.21 1iaw n ASN 144 N -0.63 0.57 0.33 0.00 6.94 -0.53 -4.86 115.26 117.08 1iaw n ASN 144 Ca -0.04 -1.43 0.15 0.00 -0.02 0.00 0.00 54.58 53.24 1iaw n ASN 144 Cb 0.54 -0.16 0.78 0.00 -2.36 0.00 0.00 39.78 38.57 1iaw n ASN 144 CO 0.00 0.00 0.00 -0.09 -1.03 0.00 0.00 177.26 176.14 1iaw h ARG 145 N 0.00 0.00 -0.27 -3.83 2.43 -2.00 0.20 114.38 110.92 1iaw h ARG 145 Ca -0.09 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.08 1iaw h ARG 145 Cb 0.39 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.94 1iaw h ARG 145 CO 0.12 0.00 0.00 -3.47 -1.51 0.00 0.00 179.97 175.11 1iaw n ASP 146 N -2.90 3.93 -2.10 -3.80 2.03 -1.26 -4.96 116.55 107.50 1iaw n ASP 146 Ca -0.01 -3.02 -0.19 0.00 0.52 0.00 0.00 54.79 52.09 1iaw n ASP 146 Cb 0.42 -0.55 -0.01 0.00 -0.72 0.00 0.00 41.12 40.26 1iaw n ASP 146 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1iaw n LEU 147 N -0.49 -1.83 -4.91 -2.67 4.77 0.71 -4.88 117.00 107.71 1iaw n LEU 147 Ca 0.22 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.88 1iaw n LEU 147 Cb 0.90 -2.68 -0.04 0.00 -2.33 0.00 0.00 43.42 39.28 1iaw n LEU 147 CO 0.16 -0.23 -0.09 -0.54 -1.33 0.00 0.00 177.39 175.36 1iaw s LYS 148 N -4.88 3.50 0.13 3.23 1.02 -1.26 -3.85 119.74 117.64 1iaw s LYS 148 Ca 0.00 -0.30 0.05 0.00 0.02 0.00 0.00 55.97 55.75 1iaw s LYS 148 Cb 0.00 -2.99 -0.04 0.00 -0.52 0.00 0.00 37.83 34.28 1iaw s LYS 148 CO 0.00 0.58 -0.12 1.03 -0.92 0.00 0.00 175.35 175.92 1iaw s ARG 149 N -2.44 1.02 0.13 1.68 0.52 -0.02 -1.45 118.95 118.40 1iaw s ARG 149 Ca 0.35 -1.31 0.03 0.00 -0.52 0.00 0.00 55.73 54.28 1iaw s ARG 149 Cb -0.13 -0.76 -0.04 0.00 0.52 0.00 0.00 34.95 34.55 1iaw s ARG 149 CO 0.25 0.13 0.20 1.03 0.02 0.00 0.00 175.30 176.92 1iaw s ARG 150 N -3.08 3.19 0.63 3.54 0.52 -1.26 -1.14 118.95 121.35 1iaw s ARG 150 Ca 0.11 -0.68 -0.17 0.00 -0.52 0.00 0.00 55.73 54.48 1iaw s ARG 150 Cb -0.02 -2.84 -0.01 0.00 0.52 0.00 0.00 34.95 32.60 1iaw s ARG 150 CO 0.02 0.53 1.18 -0.51 0.02 0.00 0.00 175.30 176.54 1iaw s LEU 151 N -2.97 3.54 0.59 2.53 1.43 -1.26 -0.01 118.68 122.52 1iaw s LEU 151 Ca 0.33 2.29 -0.03 0.00 -1.03 0.00 0.00 54.13 55.69 1iaw s LEU 151 Cb -0.11 -4.59 0.03 0.00 0.03 0.00 0.00 46.19 41.56 1iaw s LEU 151 CO 0.26 -1.73 0.86 0.42 0.23 0.00 0.00 176.35 176.39 1iaw s THR 152 N -1.84 2.89 0.42 5.49 -4.23 0.27 -4.69 115.64 113.93 1iaw s THR 152 Ca 0.74 -0.40 0.23 0.00 -1.18 0.00 0.00 61.69 61.08 1iaw s THR 152 Cb -0.28 -3.14 0.42 0.00 1.34 0.00 0.00 72.50 70.85 1iaw s THR 152 CO 0.37 -0.13 1.73 -0.65 -0.54 0.00 0.00 174.62 175.40 1iaw h PRO 153 N -0.14 0.28 0.05 3.99 0.11 -1.95 1.17 132.00 135.50 1iaw h PRO 153 Ca -0.44 -0.02 -0.24 0.00 0.11 0.00 0.00 66.00 65.42 1iaw h PRO 153 Cb 1.29 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 1iaw h PRO 153 CO 0.57 0.18 -1.09 1.49 -0.21 0.00 0.00 178.00 178.94 1iaw h GLU 154 N 0.29 0.12 0.00 1.05 4.81 -1.92 -3.14 114.58 115.78 1iaw h GLU 154 Ca 0.66 -0.19 -0.05 0.00 -0.13 0.00 0.00 59.36 59.64 1iaw h GLU 154 Cb 1.84 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 31.29 1iaw h GLU 154 CO -0.32 1.09 -0.24 0.78 -0.73 0.00 0.00 179.01 179.59 1iaw h GLY 155 N 2.39 0.00 1.37 1.92 0.00 0.11 -2.66 103.07 106.20 1iaw h GLY 155 Ca -0.06 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.07 1iaw h GLY 155 CO 0.16 0.00 -0.72 3.21 0.00 0.00 0.00 176.54 179.19 1iaw h ARG 156 N 0.00 0.63 0.00 4.80 3.08 -0.92 -3.05 114.38 118.91 1iaw h ARG 156 Ca -0.00 -0.49 0.00 0.00 0.07 0.00 0.00 59.98 59.56 1iaw h ARG 156 Cb 0.43 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.58 1iaw h ARG 156 CO 0.03 1.11 0.00 0.00 -1.07 0.00 0.00 179.97 180.04 1iaw h ALA 157 N 0.76 1.00 -0.02 0.04 0.00 -1.43 -1.97 119.26 117.64 1iaw h ALA 157 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1iaw h ALA 157 Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1iaw h ALA 157 CO 0.14 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.43 1iaw n GLN 158 N -2.77 1.33 -2.74 0.00 1.13 -1.14 -4.84 117.38 108.34 1iaw n GLN 158 Ca -0.00 -0.49 -0.42 0.00 -1.94 0.00 0.00 57.00 54.15 1iaw n GLN 158 Cb 0.19 -1.46 -0.03 0.00 0.11 0.00 0.00 30.24 29.05 1iaw n GLN 158 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1iaw s VAL 159 N -1.98 4.85 -0.50 5.09 1.01 -0.74 -4.78 120.40 123.35 1iaw s VAL 159 Ca 0.40 1.97 -0.22 0.00 0.00 0.00 0.00 61.98 64.13 1iaw s VAL 159 Cb 0.20 -4.28 0.04 0.00 0.00 0.00 0.00 36.38 32.34 1iaw s VAL 159 CO 0.33 0.09 0.79 -0.69 0.00 0.00 0.00 175.10 175.62 1iaw s VAL 160 N 1.51 4.62 0.26 2.92 1.01 0.20 -4.88 120.40 126.04 1iaw s VAL 160 Ca 0.48 0.13 -0.30 0.00 0.00 0.00 0.00 61.98 62.29 1iaw s VAL 160 Cb -0.19 -4.38 -0.11 0.00 0.00 0.00 0.00 36.38 31.69 1iaw s VAL 160 CO 0.22 -0.87 1.59 -0.54 0.00 0.00 0.00 175.10 175.50 1iaw s LYS 161 N 3.33 4.15 0.13 2.72 1.02 -1.26 -1.70 119.74 128.14 1iaw s LYS 161 Ca 0.26 2.52 0.03 0.00 0.02 0.00 0.00 55.97 58.80 1iaw s LYS 161 Cb -0.14 -3.06 -0.04 0.00 -0.52 0.00 0.00 37.83 34.08 1iaw s LYS 161 CO 0.19 -0.62 0.20 -0.51 -0.92 0.00 0.00 175.35 173.69 1iaw s LEU 162 N -0.04 4.10 -0.79 3.17 1.43 0.33 -4.69 118.68 122.19 1iaw s LEU 162 Ca 0.65 0.06 -0.03 0.00 -1.03 0.00 0.00 54.13 53.78 1iaw s LEU 162 Cb -0.47 -2.70 0.01 0.00 0.03 0.00 0.00 46.19 43.06 1iaw s LEU 162 CO 0.43 0.09 0.60 0.79 0.23 0.00 0.00 176.35 178.48 1iaw n TRP 163 N -0.25 -2.05 -1.41 0.29 8.01 -1.26 -4.54 117.44 116.23 1iaw n TRP 163 Ca -0.07 0.84 -0.32 0.00 -1.31 0.00 0.00 57.50 56.64 1iaw n TRP 163 Cb 0.54 -2.61 0.08 0.00 -2.01 0.00 0.00 31.31 27.30 1iaw n TRP 163 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 177.69 174.54 1iaw s PRO 164 N -4.72 2.42 -1.46 -0.99 0.02 -1.26 -3.69 135.00 125.32 1iaw s PRO 164 Ca 0.03 1.23 -0.06 0.00 0.02 0.00 0.00 61.00 62.23 1iaw s PRO 164 Cb -0.00 -1.91 0.01 0.00 0.02 0.00 0.00 34.50 32.61 1iaw s PRO 164 CO 0.89 -1.52 0.21 -0.40 -0.33 0.00 0.00 177.00 175.85 1iaw n ASP 165 N -3.19 -0.23 -4.96 2.53 5.75 -1.26 -4.94 116.55 110.25 1iaw n ASP 165 Ca 0.09 -1.21 -0.22 0.00 -0.01 0.00 0.00 54.79 53.44 1iaw n ASP 165 Cb 0.53 -1.98 -0.01 0.00 -1.03 0.00 0.00 41.12 38.62 1iaw n ASP 165 CO 0.00 0.00 0.00 -1.38 -0.11 0.00 0.00 177.20 175.71 1iaw s HIS 166 N -4.15 3.38 0.74 2.11 -3.43 -1.24 -5.07 115.29 107.64 1iaw s HIS 166 Ca 0.09 0.09 -0.15 0.00 -0.80 0.00 0.00 55.06 54.29 1iaw s HIS 166 Cb -0.04 -1.83 0.04 0.00 -1.43 0.00 0.00 32.58 29.32 1iaw s HIS 166 CO 0.97 0.17 1.24 0.20 -2.00 0.00 0.00 174.74 175.32 1iaw s GLY 167 N -4.06 2.45 1.01 -1.38 0.00 -1.26 -4.99 107.32 99.09 1iaw s GLY 167 Ca 0.39 0.99 -0.11 0.00 0.00 0.00 0.00 44.72 45.99 1iaw s GLY 167 CO 0.33 1.41 1.10 -1.59 0.00 0.00 0.00 173.10 174.35 1iaw s LYS 168 N -3.82 0.31 0.36 2.90 0.00 -1.26 -4.90 119.74 113.33 1iaw s LYS 168 Ca 0.77 1.28 -0.27 0.00 0.00 0.00 0.00 55.97 57.76 1iaw s LYS 168 Cb -0.32 -1.66 -0.09 0.00 0.00 0.00 0.00 37.83 35.76 1iaw s LYS 168 CO 0.46 -3.03 1.17 -1.17 0.00 0.00 0.00 175.35 172.77 1iaw s LEU 169 N -6.83 4.30 0.00 2.77 2.96 0.10 -4.92 118.68 117.06 1iaw s LEU 169 Ca 0.67 2.36 -0.35 0.00 -0.22 0.00 0.00 54.13 56.60 1iaw s LEU 169 Cb -0.23 -3.89 -0.13 0.00 0.50 0.00 0.00 46.19 42.43 1iaw s LEU 169 CO 0.60 -0.53 1.72 1.67 -1.32 0.00 0.00 176.35 178.49 1iaw n GLN 170 N 0.41 2.01 -1.71 1.98 7.27 -1.26 -4.84 117.38 121.25 1iaw n GLN 170 Ca 0.03 0.73 -0.43 0.00 0.07 0.00 0.00 57.00 57.39 1iaw n GLN 170 Cb 0.46 -2.52 -0.03 0.00 2.41 0.00 0.00 30.24 30.56 1iaw n GLN 170 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22 1iaw n GLU 171 N 5.05 2.47 -2.95 3.69 2.13 -1.26 -4.95 120.64 124.82 1iaw n GLU 171 Ca 0.21 0.89 -0.44 0.00 0.66 0.00 0.00 57.16 58.47 1iaw n GLU 171 Cb 0.27 -2.66 -0.04 0.00 0.27 0.00 0.00 31.44 29.28 1iaw n GLU 171 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 1iaw s ASN 172 N 0.73 6.19 0.06 4.31 3.84 -1.26 -4.98 114.94 123.83 1iaw s ASN 172 Ca 0.71 -1.09 -0.16 0.00 0.21 0.00 0.00 52.86 52.54 1iaw s ASN 172 Cb -0.57 -2.38 -0.05 0.00 -0.55 0.00 0.00 41.25 37.70 1iaw s ASN 172 CO 0.42 -1.30 1.26 0.25 -2.79 0.00 0.00 177.10 174.94 1iaw h LEU 173 N 10.82 -0.90 -1.85 3.21 5.85 -1.96 -2.47 115.31 128.01 1iaw h LEU 173 Ca -0.29 0.12 0.31 0.00 0.84 0.00 0.00 57.88 58.86 1iaw h LEU 173 Cb 1.08 0.37 -0.06 0.00 0.37 0.00 0.00 40.66 42.42 1iaw h LEU 173 CO 1.14 -0.19 0.77 -0.07 -0.34 0.00 0.00 178.44 179.74 1iaw h LEU 174 N -0.19 0.11 -0.01 2.25 3.38 -1.94 0.65 115.31 119.56 1iaw h LEU 174 Ca 0.03 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1iaw h LEU 174 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1iaw h LEU 174 CO -0.29 0.02 0.00 -0.11 0.09 0.00 0.00 178.44 178.15 1iaw n LEU 175 N -4.30 0.10 -0.09 1.67 7.94 -0.94 -3.87 117.00 117.50 1iaw n LEU 175 Ca 0.24 0.51 0.07 0.00 -1.11 0.00 0.00 56.01 55.72 1iaw n LEU 175 Cb 1.10 -0.48 0.09 0.00 0.53 0.00 0.00 43.42 44.66 1iaw n LEU 175 CO 0.37 -0.04 0.52 1.41 -1.11 0.00 0.00 177.39 178.53 1iaw n HIS 176 N -1.59 0.00 -3.99 1.96 8.25 0.21 -5.01 115.22 115.05 1iaw n HIS 176 Ca 0.07 -0.77 -0.23 0.00 -0.26 0.00 0.00 57.72 56.52 1iaw n HIS 176 Cb 0.34 -0.12 -0.03 0.00 1.12 0.00 0.00 29.99 31.30 1iaw n HIS 176 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 1iaw s ILE 177 N -2.14 5.10 0.22 1.59 -4.36 -1.20 -5.03 121.20 115.38 1iaw s ILE 177 Ca 0.21 -0.95 -0.30 0.00 -0.26 0.00 0.00 60.65 59.35 1iaw s ILE 177 Cb 0.19 -3.70 -0.15 0.00 1.25 0.00 0.00 42.46 40.04 1iaw s ILE 177 CO 0.02 -0.23 1.02 -2.65 0.24 0.00 0.00 174.94 173.34 1iaw n PRO 178 N -0.98 1.08 -0.24 0.37 -0.02 -1.26 -4.74 135.00 129.20 1iaw n PRO 178 Ca -0.08 0.38 -0.03 0.00 -2.02 0.00 0.00 63.50 61.75 1iaw n PRO 178 Cb 0.56 -1.77 0.16 0.00 -0.02 0.00 0.00 33.50 32.43 1iaw n PRO 178 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1iaw h GLY 179 N 2.52 1.14 0.94 -1.23 0.00 -1.95 -0.59 103.07 103.89 1iaw h GLY 179 Ca -0.40 -0.54 0.02 0.00 0.00 0.00 0.00 47.33 46.41 1iaw h GLY 179 CO 0.65 0.52 0.61 1.29 0.00 0.00 0.00 176.54 179.60 1iaw h ASP 180 N 1.06 1.03 -0.13 0.19 2.03 -1.99 0.14 116.42 118.75 1iaw h ASP 180 Ca 0.26 -0.02 -0.17 0.00 -0.73 0.00 0.00 57.03 56.38 1iaw h ASP 180 Cb 0.09 -0.24 -0.00 0.00 -0.83 0.00 0.00 39.33 38.34 1iaw h ASP 180 CO -0.04 0.72 -0.52 0.58 -1.03 0.00 0.00 179.24 178.95 1iaw h VAL 181 N 1.20 1.30 0.10 4.15 2.07 -1.82 -2.42 116.25 120.83 1iaw h VAL 181 Ca 0.36 -1.73 -0.00 0.00 0.82 0.00 0.00 66.70 66.14 1iaw h VAL 181 Cb -0.06 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 1iaw h VAL 181 CO -0.10 0.55 -0.05 -0.09 0.02 0.00 0.00 177.57 177.91 1iaw h ARG 182 N 0.55 -0.13 -0.98 1.57 2.43 -0.36 -2.62 114.38 114.85 1iaw h ARG 182 Ca 0.02 0.01 0.20 0.00 -0.81 0.00 0.00 59.98 59.39 1iaw h ARG 182 Cb 1.09 0.03 -0.09 0.00 -0.42 0.00 0.00 29.97 30.58 1iaw h ARG 182 CO 0.11 0.08 0.61 -0.44 -1.51 0.00 0.00 179.97 178.82 1iaw h ASP 183 N -0.31 0.66 -0.43 -3.80 3.45 -0.72 -1.65 116.42 113.62 1iaw h ASP 183 Ca -0.01 0.08 -0.02 0.00 0.43 0.00 0.00 57.03 57.50 1iaw h ASP 183 Cb 0.26 -0.04 -0.02 0.00 -0.56 0.00 0.00 39.33 38.97 1iaw h ASP 183 CO 0.02 0.24 0.19 1.56 -1.57 0.00 0.00 179.24 179.69 1iaw h GLN 184 N 0.65 0.63 -0.74 3.56 1.08 -1.09 -1.86 115.11 117.34 1iaw h GLN 184 Ca 0.55 -0.10 -0.01 0.00 -1.45 0.00 0.00 58.65 57.64 1iaw h GLN 184 Cb 1.00 -0.11 -0.04 0.00 -0.05 0.00 0.00 27.48 28.28 1iaw h GLN 184 CO -0.31 0.56 0.44 0.82 -0.95 0.00 0.00 178.83 179.39 1iaw h ILE 185 N 0.55 1.21 0.00 2.54 2.04 -0.96 -2.71 117.51 120.19 1iaw h ILE 185 Ca 0.15 -0.49 -0.18 0.00 1.00 0.00 0.00 64.86 65.34 1iaw h ILE 185 Cb 0.15 0.19 -0.03 0.00 -0.74 0.00 0.00 36.82 36.39 1iaw h ILE 185 CO -0.02 0.23 -0.90 -0.26 0.00 0.00 0.00 178.15 177.20 1iaw h PHE 186 N 1.02 0.00 0.00 1.37 -1.00 -1.42 -3.30 116.94 113.61 1iaw h PHE 186 Ca 0.27 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.05 1iaw h PHE 186 Cb -0.02 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.54 1iaw h PHE 186 CO -0.01 0.81 -0.55 0.66 -1.61 0.00 0.00 178.31 177.61 1iaw h SER 187 N 0.00 0.00 -1.84 2.17 4.64 -1.35 -3.47 113.55 113.70 1iaw h SER 187 Ca -0.03 -0.11 -0.64 0.00 -0.47 0.00 0.00 61.79 60.53 1iaw h SER 187 Cb 1.65 0.00 0.10 0.00 -0.31 0.00 0.00 62.40 63.84 1iaw h SER 187 CO 0.10 0.06 -0.02 0.00 -0.87 0.00 0.00 176.83 176.10 1iaw n ALA 188 N -1.94 -1.29 -2.57 5.18 0.00 -1.02 -4.98 120.51 113.89 1iaw n ALA 188 Ca 0.03 0.43 -0.12 0.00 0.00 0.00 0.00 53.44 53.79 1iaw n ALA 188 Cb 0.47 -1.90 -0.11 0.00 0.00 0.00 0.00 19.45 17.92 1iaw n ALA 188 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1iaw s LYS 189 N -1.00 0.64 0.37 0.00 1.02 -1.26 -4.37 119.74 115.14 1iaw s LYS 189 Ca 0.66 -0.99 -0.15 0.00 0.02 0.00 0.00 55.97 55.51 1iaw s LYS 189 Cb -0.84 -0.23 -0.09 0.00 -0.52 0.00 0.00 37.83 36.16 1iaw s LYS 189 CO 0.57 0.02 0.79 -1.54 -0.92 0.00 0.00 175.35 174.26 1iaw s SER 190 N -2.19 6.72 0.63 2.83 1.04 -1.26 -4.94 113.70 116.53 1iaw s SER 190 Ca -0.01 1.31 0.37 0.00 0.48 0.00 0.00 55.95 58.10 1iaw s SER 190 Cb -0.04 -2.39 2.11 0.00 0.10 0.00 0.00 66.02 65.81 1iaw s SER 190 CO -0.02 -0.30 2.30 0.77 0.98 0.00 0.00 173.24 176.98 1iaw h SER 191 N 1.88 0.00 -4.98 7.02 4.64 -2.01 -3.43 113.55 116.67 1iaw h SER 191 Ca -0.48 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 60.69 1iaw h SER 191 Cb 1.18 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 63.06 1iaw h SER 191 CO 0.64 0.00 -0.56 -0.60 -0.87 0.00 0.00 176.83 175.45 1iaw s ARG 192 N -4.39 0.43 0.15 4.77 3.52 -1.26 -5.11 118.95 117.05 1iaw s ARG 192 Ca -0.05 -0.47 0.00 0.00 -0.13 0.00 0.00 55.73 55.08 1iaw s ARG 192 Cb 0.14 0.17 0.00 0.00 -1.56 0.00 0.00 34.95 33.70 1iaw s ARG 192 CO 0.48 -0.10 0.00 0.41 -0.81 0.00 0.00 175.30 175.28 1iaw n GLY 193 N 1.49 -2.93 0.17 8.12 0.00 -1.26 -4.71 105.19 106.07 1iaw n GLY 193 Ca -0.23 -1.84 0.01 0.00 0.00 0.00 0.00 46.02 43.96 1iaw n GLY 193 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1iaw n ASN 194 N -0.13 2.18 -4.33 1.61 3.02 -1.26 -4.94 115.26 111.41 1iaw n ASN 194 Ca 0.00 -1.95 -0.40 0.00 -0.03 0.00 0.00 54.58 52.20 1iaw n ASN 194 Cb 0.00 -0.06 -0.11 0.00 -0.61 0.00 0.00 39.78 39.01 1iaw n ASN 194 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1iaw s GLN 195 N -0.95 2.73 -0.31 3.52 -0.21 -1.26 -4.98 119.66 118.20 1iaw s GLN 195 Ca 0.06 -1.23 0.10 0.00 0.02 0.00 0.00 55.36 54.31 1iaw s GLN 195 Cb 0.03 -3.74 0.61 0.00 1.00 0.00 0.00 33.01 30.91 1iaw s GLN 195 CO 0.04 -0.80 1.65 0.72 -2.12 0.00 0.00 175.29 174.78 1iaw n HIS 196 N 4.96 1.84 0.37 0.91 8.25 -1.26 -4.68 115.22 125.62 1iaw n HIS 196 Ca -0.11 -1.41 -0.15 0.00 -0.26 0.00 0.00 57.72 55.79 1iaw n HIS 196 Cb 0.45 -0.61 -0.07 0.00 1.12 0.00 0.00 29.99 30.88 1iaw n HIS 196 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1iaw h GLY 197 N 1.62 -1.01 0.72 -1.41 0.00 -1.90 -1.44 103.07 99.64 1iaw h GLY 197 Ca 0.28 0.38 0.11 0.00 0.00 0.00 0.00 47.33 48.09 1iaw h GLY 197 CO 0.60 -0.37 0.54 -1.61 0.00 0.00 0.00 176.54 175.70 1iaw h GLN 198 N -1.18 0.70 -0.17 4.80 5.75 -1.88 -1.53 115.11 121.60 1iaw h GLN 198 Ca -0.10 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.35 1iaw h GLN 198 Cb 0.74 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 29.13 1iaw h GLN 198 CO 0.16 0.46 0.07 0.00 -2.65 0.00 0.00 178.83 176.87 1iaw h ALA 199 N 1.60 0.23 -0.43 3.38 0.00 -1.85 0.33 119.26 122.51 1iaw h ALA 199 Ca 0.40 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.15 1iaw h ALA 199 Cb 0.54 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1iaw h ALA 199 CO -0.16 -0.17 0.09 0.00 0.00 0.00 0.00 179.25 179.00 1iaw h ARG 200 N 0.12 0.65 -0.41 0.00 3.08 -0.65 -2.62 114.38 114.55 1iaw h ARG 200 Ca 0.06 -0.12 -0.10 0.00 0.07 0.00 0.00 59.98 59.88 1iaw h ARG 200 Cb 0.19 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 1iaw h ARG 200 CO -0.00 0.61 -0.15 0.28 -1.07 0.00 0.00 179.97 179.64 1iaw h VAL 201 N 0.63 1.28 -1.00 2.04 2.07 -0.95 -1.78 116.25 118.54 1iaw h VAL 201 Ca 0.14 -1.27 0.05 0.00 0.82 0.00 0.00 66.70 66.45 1iaw h VAL 201 Cb 0.27 1.24 -0.06 0.00 -1.52 0.00 0.00 31.29 31.21 1iaw h VAL 201 CO 0.00 0.43 0.65 0.78 0.02 0.00 0.00 177.57 179.44 1iaw h ASN 202 N 0.64 1.05 0.03 0.57 2.35 -0.64 -1.17 115.58 118.42 1iaw h ASN 202 Ca 0.10 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.74 1iaw h ASN 202 Cb 0.69 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.83 1iaw h ASN 202 CO 0.05 0.69 -0.33 -0.08 -1.65 0.00 0.00 177.43 176.11 1iaw h GLU 203 N 1.20 0.42 -0.52 0.81 4.57 -1.28 -1.24 114.58 118.55 1iaw h GLU 203 Ca 0.42 -0.18 0.01 0.00 -1.18 0.00 0.00 59.36 58.42 1iaw h GLU 203 Cb 0.10 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.65 1iaw h GLU 203 CO -0.15 0.71 0.34 1.25 -1.18 0.00 0.00 179.01 179.98 1iaw h LEU 204 N 0.36 0.59 -0.06 1.64 5.85 -0.33 -0.38 115.31 122.97 1iaw h LEU 204 Ca 0.04 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1iaw h LEU 204 Cb 0.76 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.65 1iaw h LEU 204 CO 0.06 0.42 -0.06 0.49 -0.34 0.00 0.00 178.44 179.02 1iaw n PHE 205 N -4.73 0.00 -0.05 1.25 0.99 -0.83 -1.53 117.46 112.55 1iaw n PHE 205 Ca 0.03 0.00 -0.19 0.00 -0.00 0.00 0.00 57.45 57.29 1iaw n PHE 205 Cb 0.02 -0.28 -0.13 0.00 -1.00 0.00 0.00 39.48 38.09 1iaw n PHE 205 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 1iaw n ARG 206 N -1.23 0.71 0.00 -1.08 1.74 -0.49 -4.54 116.66 111.76 1iaw n ARG 206 Ca 0.13 0.21 0.11 0.00 -0.77 0.00 0.00 57.85 57.53 1iaw n ARG 206 Cb 0.27 -1.63 0.14 0.00 -1.02 0.00 0.00 32.46 30.22 1iaw n ARG 206 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1iaw n ARG 207 N -3.35 0.28 -3.87 5.56 5.12 -0.19 -4.77 116.66 115.44 1iaw n ARG 207 Ca -0.37 -0.19 -0.30 0.00 -1.93 0.00 0.00 57.85 55.05 1iaw n ARG 207 Cb 1.03 -1.50 -0.15 0.00 -1.16 0.00 0.00 32.46 30.68 1iaw n ARG 207 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1iaw s VAL 208 N -2.86 1.48 0.21 1.55 1.01 -0.59 -5.07 120.40 116.14 1iaw s VAL 208 Ca 0.13 -1.72 0.11 0.00 0.00 0.00 0.00 61.98 60.50 1iaw s VAL 208 Cb 0.17 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 1iaw s VAL 208 CO 0.70 -0.57 -0.17 -1.00 0.00 0.00 0.00 175.10 174.06 1iaw s HIS 209 N 1.32 2.43 -1.85 5.22 3.76 -1.26 -4.64 115.29 120.28 1iaw s HIS 209 Ca 0.08 -0.30 0.00 0.00 -0.15 0.00 0.00 55.06 54.69 1iaw s HIS 209 Cb -0.18 -1.17 0.00 0.00 1.11 0.00 0.00 32.58 32.34 1iaw s HIS 209 CO -0.16 0.55 0.00 0.41 -0.85 0.00 0.00 174.74 174.69 1iaw n GLY 210 N -0.02 0.31 3.03 -2.22 0.00 -0.43 -4.99 105.19 100.88 1iaw n GLY 210 Ca -0.10 -0.04 -0.12 0.00 0.00 0.00 0.00 46.02 45.76 1iaw n GLY 210 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1iaw s ARG 211 N -4.58 0.45 -0.07 1.61 0.52 -1.26 -4.80 118.95 110.82 1iaw s ARG 211 Ca 0.00 -0.71 -0.30 0.00 -0.52 0.00 0.00 55.73 54.20 1iaw s ARG 211 Cb 0.00 -0.15 -0.03 0.00 0.52 0.00 0.00 34.95 35.29 1iaw s ARG 211 CO 0.00 0.01 1.14 -0.51 0.02 0.00 0.00 175.30 175.96 1iaw s LEU 212 N -1.55 4.27 -0.21 2.53 1.43 -1.26 -4.42 118.68 119.46 1iaw s LEU 212 Ca -0.12 1.72 -0.03 0.00 -1.03 0.00 0.00 54.13 54.68 1iaw s LEU 212 Cb -0.10 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.56 1iaw s LEU 212 CO -0.00 -0.54 -0.08 -0.63 0.23 0.00 0.00 176.35 175.33 1iaw s ILE 213 N 2.14 3.02 0.42 -0.59 1.01 -0.49 -4.96 121.20 121.76 1iaw s ILE 213 Ca 0.53 -0.64 0.08 0.00 0.00 0.00 0.00 60.65 60.63 1iaw s ILE 213 Cb -0.23 -2.37 0.01 0.00 0.01 0.00 0.00 42.46 39.89 1iaw s ILE 213 CO 0.21 0.43 0.57 -0.83 0.00 0.00 0.00 174.94 175.32 1iaw s GLY 214 N 1.42 1.95 0.18 6.18 0.00 -1.26 -1.18 107.32 114.60 1iaw s GLY 214 Ca 0.05 -1.68 -0.26 0.00 0.00 0.00 0.00 44.72 42.83 1iaw s GLY 214 CO -0.06 -1.50 1.55 3.21 0.00 0.00 0.00 173.10 176.31 1iaw h ARG 215 N 0.64 -0.13 -0.79 2.90 3.08 -1.77 -1.71 114.38 116.60 1iaw h ARG 215 Ca -0.40 0.01 0.19 0.00 0.07 0.00 0.00 59.98 59.85 1iaw h ARG 215 Cb 1.28 0.03 -0.12 0.00 0.08 0.00 0.00 29.97 31.24 1iaw h ARG 215 CO 0.45 -0.08 0.18 0.00 -1.07 0.00 0.00 179.97 179.45 1iaw h ALA 216 N 0.70 1.05 0.71 0.04 0.00 -1.96 0.20 119.26 120.00 1iaw h ALA 216 Ca 0.20 0.19 -0.03 0.00 0.00 0.00 0.00 54.91 55.27 1iaw h ALA 216 Cb 0.53 0.28 0.01 0.00 0.00 0.00 0.00 17.79 18.61 1iaw h ALA 216 CO -0.82 -0.39 -0.34 0.28 0.00 0.00 0.00 179.25 177.99 1iaw h VAL 217 N 0.24 0.24 -0.94 0.00 2.07 -1.72 -1.00 116.25 115.14 1iaw h VAL 217 Ca 0.46 -0.14 0.19 0.00 0.82 0.00 0.00 66.70 68.03 1iaw h VAL 217 Cb 0.85 0.28 -0.11 0.00 -1.52 0.00 0.00 31.29 30.79 1iaw h VAL 217 CO -0.58 0.01 0.52 0.40 0.02 0.00 0.00 177.57 177.94 1iaw h ILE 218 N -1.06 0.66 0.16 4.57 2.04 -0.75 -0.10 117.51 123.02 1iaw h ILE 218 Ca -0.10 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.54 1iaw h ILE 218 Cb 0.75 -0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.80 1iaw h ILE 218 CO 0.16 0.12 -0.08 0.00 0.00 0.00 0.00 178.15 178.35 1iaw h ALA 219 N 1.64 -0.21 -0.68 1.87 0.00 -0.53 0.47 119.26 121.82 1iaw h ALA 219 Ca 0.54 -0.11 0.12 0.00 0.00 0.00 0.00 54.91 55.47 1iaw h ALA 219 Cb 0.87 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 1iaw h ALA 219 CO -0.41 -0.54 0.46 1.15 0.00 0.00 0.00 179.25 179.91 1iaw h THR 220 N -0.36 0.85 0.00 0.00 2.02 0.25 0.61 112.91 116.27 1iaw h THR 220 Ca -0.02 -0.15 -0.07 0.00 0.77 0.00 0.00 66.41 66.95 1iaw h THR 220 Cb 0.29 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 1iaw h THR 220 CO 0.04 0.08 -0.38 0.58 0.37 0.00 0.00 175.52 176.20 1iaw h VAL 221 N 0.42 1.41 -0.55 3.16 2.07 -0.84 -3.38 116.25 118.54 1iaw h VAL 221 Ca 0.33 -2.20 -0.08 0.00 0.82 0.00 0.00 66.70 65.57 1iaw h VAL 221 Cb 0.69 2.80 -0.02 0.00 -1.52 0.00 0.00 31.29 33.25 1iaw h VAL 221 CO -0.10 0.48 0.02 0.00 0.02 0.00 0.00 177.57 177.99 1iaw h ALA 222 N -0.22 0.99 -6.45 1.67 0.00 0.21 -3.44 119.26 112.02 1iaw h ALA 222 Ca -0.10 -0.28 -0.49 0.00 0.00 0.00 0.00 54.91 54.04 1iaw h ALA 222 Cb 1.03 -0.21 0.04 0.00 0.00 0.00 0.00 17.79 18.64 1iaw h ALA 222 CO -0.06 0.62 -0.95 0.94 0.00 0.00 0.00 179.25 179.80 1iaw n GLN 223 N -4.20 -1.27 -3.83 0.00 7.27 0.21 -4.61 117.38 110.96 1iaw n GLN 223 Ca 0.03 0.35 -0.07 0.00 0.07 0.00 0.00 57.00 57.38 1iaw n GLN 223 Cb 0.31 -3.78 0.01 0.00 2.41 0.00 0.00 30.24 29.19 1iaw n GLN 223 CO 0.00 0.00 0.00 1.14 0.07 0.00 0.00 177.06 178.27 1iaw s GLN 224 N -6.44 1.91 0.11 3.69 -2.07 -1.25 -4.92 119.66 110.69 1iaw s GLN 224 Ca 0.40 -1.18 -0.28 0.00 -1.82 0.00 0.00 55.36 52.49 1iaw s GLN 224 Cb -0.17 0.57 -0.06 0.00 -1.09 0.00 0.00 33.01 32.26 1iaw s GLN 224 CO 0.90 -0.89 0.87 -0.51 -1.32 0.00 0.00 175.29 174.33 1iaw s ASP 225 N -3.07 7.41 -0.86 12.60 1.01 -1.26 -3.75 116.67 128.75 1iaw s ASP 225 Ca 0.15 1.68 -0.03 0.00 0.71 0.00 0.00 52.55 55.06 1iaw s ASP 225 Cb -0.05 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.31 1iaw s ASP 225 CO 0.09 0.02 0.74 -0.67 0.21 0.00 0.00 175.17 175.56 1iaw n ASP 226 N 2.48 -4.35 -0.08 0.27 -0.08 -1.26 -4.93 116.55 108.59 1iaw n ASP 226 Ca -0.01 -0.53 -0.09 0.00 -1.51 0.00 0.00 54.79 52.65 1iaw n ASP 226 Cb 0.49 -4.15 0.06 0.00 2.34 0.00 0.00 41.12 39.86 1iaw n ASP 226 CO 0.00 0.00 0.00 2.19 0.12 0.00 0.00 177.20 179.51 1iaw h PHE 227 N -1.07 0.91 -0.65 -0.67 -5.15 -1.94 -3.01 116.94 105.37 1iaw h PHE 227 Ca -0.47 -0.24 0.15 0.00 -0.20 0.00 0.00 57.97 57.22 1iaw h PHE 227 Cb 1.25 -0.21 -0.04 0.00 0.22 0.00 0.00 35.95 37.18 1iaw h PHE 227 CO 0.27 0.99 0.45 0.52 -2.00 0.00 0.00 178.31 178.54 1iaw h MET 228 N 0.66 0.20 0.00 6.09 2.86 -1.91 0.19 114.93 123.02 1iaw h MET 228 Ca 0.07 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.67 1iaw h MET 228 Cb 0.84 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.45 1iaw h MET 228 CO 0.07 0.13 -0.16 -0.22 1.06 0.00 0.00 176.91 177.79 1iaw h LYS 229 N 0.20 0.00 0.00 1.72 3.11 -1.91 -2.01 116.57 117.68 1iaw h LYS 229 Ca 0.32 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.16 1iaw h LYS 229 Cb 0.96 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.19 1iaw h LYS 229 CO -0.06 0.16 0.00 0.54 -2.81 0.00 0.00 179.45 177.28 1iaw n ARG 230 N -4.27 0.04 -0.09 1.90 5.12 0.06 -1.97 116.66 117.44 1iaw n ARG 230 Ca -0.02 0.33 -0.17 0.00 -1.93 0.00 0.00 57.85 56.05 1iaw n ARG 230 Cb 0.23 -1.50 -0.13 0.00 -1.16 0.00 0.00 32.46 29.90 1iaw n ARG 230 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1iaw n VAL 231 N -1.39 1.55 -0.12 1.55 0.31 -0.76 -1.63 118.33 117.84 1iaw n VAL 231 Ca 0.02 -0.64 0.00 0.00 -0.01 0.00 0.00 64.34 63.70 1iaw n VAL 231 Cb 0.05 -1.32 0.00 0.00 -0.91 0.00 0.00 33.84 31.65 1iaw n VAL 231 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1iaw n ARG 232 N -3.22 -1.27 0.00 5.55 1.74 -0.83 -1.92 116.66 116.70 1iaw n ARG 232 Ca -0.39 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.69 1iaw n ARG 232 Cb 1.03 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.47 1iaw n ARG 232 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1iaw n GLY 233 N 0.74 -2.06 0.24 -0.13 0.00 -1.26 -2.80 105.19 99.92 1iaw n GLY 233 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 1iaw n GLY 233 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1iaw h SER 234 N 0.00 0.39 -0.23 1.61 0.87 -1.97 -3.18 113.55 111.05 1iaw h SER 234 Ca 0.00 0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 60.61 1iaw h SER 234 Cb 0.00 -0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 61.94 1iaw h SER 234 CO 0.00 0.25 -0.00 0.61 -0.53 0.00 0.00 176.83 177.16 1iaw n GLY 235 N -1.28 4.15 0.00 5.77 0.00 -1.26 -4.94 105.19 107.63 1iaw n GLY 235 Ca 0.08 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 45.04 1iaw n GLY 235 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iaw n GLY 236 N -0.63 4.71 0.31 -0.02 0.00 -1.12 -4.82 105.19 103.61 1iaw n GLY 236 Ca 0.21 -1.70 0.12 0.00 0.00 0.00 0.00 46.02 44.64 1iaw n GLY 236 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iaw h ALA 237 N 1.00 1.37 -0.56 4.61 0.00 -1.30 -1.69 119.26 122.68 1iaw h ALA 237 Ca 0.00 0.16 0.11 0.00 0.00 0.00 0.00 54.91 55.18 1iaw h ALA 237 Cb 0.00 0.15 -0.11 0.00 0.00 0.00 0.00 17.79 17.83 1iaw h ALA 237 CO 0.00 -0.32 -0.13 0.00 0.00 0.00 0.00 179.25 178.80 1iaw h ARG 238 N 0.40 0.01 0.12 0.00 3.08 -1.24 0.73 114.38 117.48 1iaw h ARG 238 Ca 0.54 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.58 1iaw h ARG 238 Cb 0.99 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.04 1iaw h ARG 238 CO -0.51 0.01 -0.06 0.77 -1.07 0.00 0.00 179.97 179.10 1iaw h SER 239 N 0.01 -0.14 -0.89 7.04 0.02 -1.39 -3.02 113.55 115.18 1iaw h SER 239 Ca 0.27 0.00 0.19 0.00 -0.84 0.00 0.00 61.79 61.41 1iaw h SER 239 Cb 0.42 0.04 -0.17 0.00 0.14 0.00 0.00 62.40 62.82 1iaw h SER 239 CO -0.57 0.09 -0.19 0.40 -1.14 0.00 0.00 176.83 175.42 1iaw h ILE 240 N -0.54 0.11 -0.00 3.27 2.04 -1.32 0.59 117.51 121.66 1iaw h ILE 240 Ca -0.02 -0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.84 1iaw h ILE 240 Cb 0.12 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.31 1iaw h ILE 240 CO 0.03 0.00 -0.05 0.18 0.00 0.00 0.00 178.15 178.31 1iaw n LEU 241 N -5.55 0.17 0.13 1.44 4.77 0.24 -4.21 117.00 113.98 1iaw n LEU 241 Ca 0.14 0.19 -0.14 0.00 -0.03 0.00 0.00 56.01 56.18 1iaw n LEU 241 Cb 0.47 -0.26 -0.07 0.00 -2.33 0.00 0.00 43.42 41.24 1iaw n LEU 241 CO -0.06 0.03 0.62 -0.09 -1.33 0.00 0.00 177.39 176.56 1iaw h ARG 242 N 0.18 -0.59 0.00 3.23 2.43 -0.73 -1.04 114.38 117.86 1iaw h ARG 242 Ca 0.00 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1iaw h ARG 242 Cb 0.32 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 1iaw h ARG 242 CO 0.00 -0.40 0.43 -1.00 -1.51 0.00 0.00 179.97 177.50 1iaw h PRO 243 N -0.62 0.00 -0.21 0.20 0.13 -1.75 1.00 132.00 130.76 1iaw h PRO 243 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 1iaw h PRO 243 Cb 0.63 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.76 1iaw h PRO 243 CO -0.20 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 177.96 1iaw n GLU 244 N -2.32 1.90 -1.01 0.86 1.02 -0.40 -4.30 120.64 116.39 1iaw n GLU 244 Ca -0.01 -1.35 -0.00 0.00 -0.02 0.00 0.00 57.16 55.78 1iaw n GLU 244 Cb 0.46 -1.42 -0.00 0.00 -0.02 0.00 0.00 31.44 30.46 1iaw n GLU 244 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1iaw n GLY 245 N 1.21 0.41 3.65 0.62 0.00 0.34 -4.82 105.19 106.60 1iaw n GLY 245 Ca 0.17 -1.02 -0.35 0.00 0.00 0.00 0.00 46.02 44.82 1iaw n GLY 245 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1iaw s ILE 246 N -2.01 4.41 0.19 -0.61 1.01 -1.21 -1.13 121.20 121.85 1iaw s ILE 246 Ca 0.00 -0.19 0.11 0.00 0.00 0.00 0.00 60.65 60.57 1iaw s ILE 246 Cb 0.00 -2.91 -0.04 0.00 0.01 0.00 0.00 42.46 39.52 1iaw s ILE 246 CO 0.00 0.55 -0.24 0.27 0.00 0.00 0.00 174.94 175.52 1iaw s ILE 247 N -0.35 2.37 -0.24 2.92 -4.36 -0.62 -4.18 121.20 116.73 1iaw s ILE 247 Ca 0.07 -1.99 0.01 0.00 -0.26 0.00 0.00 60.65 58.48 1iaw s ILE 247 Cb -0.12 -2.13 0.06 0.00 1.25 0.00 0.00 42.46 41.52 1iaw s ILE 247 CO 0.02 -0.09 -0.04 -0.63 0.24 0.00 0.00 174.94 174.43 1iaw s ILE 248 N -1.61 1.54 -0.14 8.37 1.01 -1.26 -2.58 121.20 126.53 1iaw s ILE 248 Ca 0.20 -1.28 -0.25 0.00 0.00 0.00 0.00 60.65 59.32 1iaw s ILE 248 Cb -0.08 -1.83 -0.02 0.00 0.01 0.00 0.00 42.46 40.54 1iaw s ILE 248 CO 0.10 -0.14 0.80 -0.76 0.00 0.00 0.00 174.94 174.94 1iaw s LEU 249 N 1.38 4.21 0.00 2.97 1.43 0.43 -4.91 118.68 124.18 1iaw s LEU 249 Ca -0.05 1.18 0.00 0.00 -1.03 0.00 0.00 54.13 54.24 1iaw s LEU 249 Cb -0.19 -3.20 0.00 0.00 0.03 0.00 0.00 46.19 42.83 1iaw s LEU 249 CO -0.07 -0.33 0.00 0.61 0.23 0.00 0.00 176.35 176.79 1iaw n GLY 250 N 3.38 1.07 0.00 -3.19 0.00 -1.26 -1.25 105.19 103.95 1iaw n GLY 250 Ca 0.03 -1.42 0.02 0.00 0.00 0.00 0.00 46.02 44.65 1iaw n GLY 250 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1iaw n HIS 251 N 0.00 0.00 -3.67 1.61 1.44 -1.26 -4.41 115.22 108.93 1iaw n HIS 251 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1iaw n HIS 251 Cb 0.00 -0.01 0.00 0.00 0.12 0.00 0.00 29.99 30.10 1iaw n HIS 251 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1iaw n GLN 252 N -1.13 1.99 0.00 -1.40 10.64 -1.26 -4.65 117.38 121.57 1iaw n GLN 252 Ca 0.01 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.18 1iaw n GLN 252 Cb 0.06 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.44 1iaw n GLN 252 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 1iaw n ASP 253 N -1.01 0.00 0.00 2.61 9.92 -1.26 -0.82 116.55 125.99 1iaw n ASP 253 Ca 0.00 0.00 0.12 0.00 -0.53 0.00 0.00 54.79 54.38 1iaw n ASP 253 Cb 0.00 0.00 0.28 0.00 -0.64 0.00 0.00 41.12 40.76 1iaw n ASP 253 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1iaw n ASN 254 N 2.43 0.46 -0.24 -2.24 3.02 -1.26 -4.39 115.26 113.04 1iaw n ASN 254 Ca 0.00 -0.17 -0.07 0.00 -0.03 0.00 0.00 54.58 54.31 1iaw n ASN 254 Cb 0.00 0.18 -0.02 0.00 -0.61 0.00 0.00 39.78 39.34 1iaw n ASN 254 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 1iaw h ASP 255 N 0.00 -1.45 -0.45 6.41 3.32 -1.32 0.17 116.42 123.11 1iaw h ASP 255 Ca 0.00 0.26 -0.02 0.00 0.02 0.00 0.00 57.03 57.28 1iaw h ASP 255 Cb 0.51 0.68 -0.02 0.00 0.22 0.00 0.00 39.33 40.72 1iaw h ASP 255 CO 0.00 -0.32 0.20 -0.65 -1.72 0.00 0.00 179.24 176.76 1iaw h PRO 256 N -0.17 0.70 0.25 3.56 0.11 -1.77 0.20 132.00 134.89 1iaw h PRO 256 Ca 0.21 -0.09 -0.01 0.00 0.11 0.00 0.00 66.00 66.22 1iaw h PRO 256 Cb 0.56 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.54 1iaw h PRO 256 CO -0.74 0.57 -0.12 -0.22 -0.21 0.00 0.00 178.00 177.28 1iaw h LYS 257 N 0.70 -0.33 -0.38 1.05 3.64 -1.45 -0.42 116.57 119.37 1iaw h LYS 257 Ca 0.17 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.62 1iaw h LYS 257 Cb 0.13 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 1iaw h LYS 257 CO -0.02 0.03 0.26 0.28 -2.27 0.00 0.00 179.45 177.73 1iaw h VAL 258 N -0.81 0.96 0.70 2.00 2.07 -0.61 -1.21 116.25 119.35 1iaw h VAL 258 Ca -0.03 -0.10 -0.03 0.00 0.82 0.00 0.00 66.70 67.35 1iaw h VAL 258 Cb 0.51 0.65 0.01 0.00 -1.52 0.00 0.00 31.29 30.93 1iaw h VAL 258 CO 0.06 0.05 -0.34 0.00 0.02 0.00 0.00 177.57 177.36 1iaw h ALA 259 N 1.79 -0.94 -0.13 1.67 0.00 -0.43 -2.59 119.26 118.64 1iaw h ALA 259 Ca 0.16 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.91 1iaw h ALA 259 Cb 0.28 0.36 -0.06 0.00 0.00 0.00 0.00 17.79 18.38 1iaw h ALA 259 CO -0.03 -0.87 -0.25 -0.97 0.00 0.00 0.00 179.25 177.12 1iaw h ASN 260 N -1.25 -0.78 -0.55 0.00 -1.24 -0.73 -0.77 115.58 110.25 1iaw h ASN 260 Ca -0.10 0.12 0.11 0.00 0.71 0.00 0.00 56.30 57.15 1iaw h ASN 260 Cb 0.72 0.34 -0.09 0.00 0.73 0.00 0.00 38.32 40.02 1iaw h ASN 260 CO 0.16 -0.30 -0.01 0.44 -1.29 0.00 0.00 177.43 176.42 1iaw h ASP 261 N -0.32 -0.26 0.08 1.15 3.32 -1.32 0.66 116.42 119.73 1iaw h ASP 261 Ca 0.10 0.14 0.00 0.00 0.02 0.00 0.00 57.03 57.29 1iaw h ASP 261 Cb 0.47 0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.27 1iaw h ASP 261 CO -0.31 -0.10 0.00 0.18 -1.72 0.00 0.00 179.24 177.29 1iaw n LEU 262 N -5.26 0.00 0.00 1.55 4.77 -0.84 -3.98 117.00 113.23 1iaw n LEU 262 Ca 0.07 0.41 0.00 0.00 -0.03 0.00 0.00 56.01 56.46 1iaw n LEU 262 Cb 0.31 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 1iaw n LEU 262 CO 0.13 -0.37 0.00 0.61 -1.33 0.00 0.00 177.39 176.43 1iaw n GLY 263 N -1.13 0.57 3.66 -0.72 0.00 0.23 -4.65 105.19 103.15 1iaw n GLY 263 Ca 0.01 -0.78 -0.33 0.00 0.00 0.00 0.00 46.02 44.92 1iaw n GLY 263 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1iaw s LEU 264 N 0.00 3.43 0.20 0.99 1.43 -0.35 -5.00 118.68 119.37 1iaw s LEU 264 Ca 0.00 -0.04 -0.32 0.00 -1.03 0.00 0.00 54.13 52.74 1iaw s LEU 264 Cb 0.00 -1.95 -0.14 0.00 0.03 0.00 0.00 46.19 44.12 1iaw s LEU 264 CO 0.00 0.29 1.36 -2.65 0.23 0.00 0.00 176.35 175.58 1iaw n PRO 265 N 1.47 1.77 -3.19 1.29 -0.02 -1.26 -3.69 135.00 131.36 1iaw n PRO 265 Ca -0.15 0.63 -0.42 0.00 -2.02 0.00 0.00 63.50 61.54 1iaw n PRO 265 Cb 0.53 -2.26 -0.07 0.00 -0.02 0.00 0.00 33.50 31.67 1iaw n PRO 265 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1iaw s VAL 266 N 0.08 4.95 0.47 -1.45 1.01 -1.26 -4.83 120.40 119.37 1iaw s VAL 266 Ca 0.72 0.18 -0.21 0.00 0.00 0.00 0.00 61.98 62.68 1iaw s VAL 266 Cb -0.73 -4.07 -0.09 0.00 0.00 0.00 0.00 36.38 31.50 1iaw s VAL 266 CO 0.48 -0.39 1.04 -2.16 0.00 0.00 0.00 175.10 174.07 1iaw s PRO 267 N 2.54 3.86 0.43 2.72 0.04 -1.26 -5.08 135.00 138.24 1iaw s PRO 267 Ca 0.20 1.39 0.03 0.00 0.04 0.00 0.00 61.00 62.66 1iaw s PRO 267 Cb -0.15 -2.16 0.00 0.00 0.04 0.00 0.00 34.50 32.23 1iaw s PRO 267 CO 0.16 -0.39 0.61 1.03 0.04 0.00 0.00 177.00 178.45 1iaw s ARG 268 N -3.12 2.96 0.19 4.56 0.52 -1.26 -4.40 118.95 118.41 1iaw s ARG 268 Ca 0.66 -0.80 -0.32 0.00 -0.52 0.00 0.00 55.73 54.75 1iaw s ARG 268 Cb -0.17 -2.66 -0.15 0.00 0.52 0.00 0.00 34.95 32.49 1iaw s ARG 268 CO 0.21 -0.24 1.18 1.17 0.02 0.00 0.00 175.30 177.64 1iaw n LYS 269 N -1.95 1.29 0.00 3.54 4.81 -1.26 -1.11 118.16 123.48 1iaw n LYS 269 Ca 0.03 0.46 0.00 0.00 -0.87 0.00 0.00 58.31 57.93 1iaw n LYS 269 Cb 0.58 -1.97 0.00 0.00 0.02 0.00 0.00 35.03 33.67 1iaw n LYS 269 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1iaw n GLY 270 N 1.97 2.55 3.81 3.14 0.00 -1.26 -5.06 105.19 110.34 1iaw n GLY 270 Ca 0.14 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.94 1iaw n GLY 270 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1iaw s GLN 271 N -0.25 2.64 0.04 1.61 -0.21 -0.26 -1.86 119.66 121.37 1iaw s GLN 271 Ca 0.00 -1.34 -0.17 0.00 0.02 0.00 0.00 55.36 53.88 1iaw s GLN 271 Cb 0.00 -2.40 0.03 0.00 1.00 0.00 0.00 33.01 31.64 1iaw s GLN 271 CO 0.00 0.14 0.37 0.14 -2.12 0.00 0.00 175.29 173.83 1iaw s VAL 272 N -2.32 0.06 -0.03 1.09 -7.23 -0.33 -4.35 120.40 107.31 1iaw s VAL 272 Ca 0.39 -0.53 0.05 0.00 -1.81 0.00 0.00 61.98 60.07 1iaw s VAL 272 Cb -0.05 -0.94 -0.01 0.00 0.56 0.00 0.00 36.38 35.94 1iaw s VAL 272 CO 0.25 -0.29 -0.16 -0.69 -0.31 0.00 0.00 175.10 173.90 1iaw s VAL 273 N -2.46 1.33 0.05 1.32 1.01 -0.38 -1.39 120.40 119.88 1iaw s VAL 273 Ca -0.05 -0.69 0.08 0.00 0.00 0.00 0.00 61.98 61.32 1iaw s VAL 273 Cb -0.01 -1.13 -0.03 0.00 0.00 0.00 0.00 36.38 35.21 1iaw s VAL 273 CO -0.02 0.38 -0.22 0.00 0.00 0.00 0.00 175.10 175.24 1iaw s ALA 274 N -0.15 1.87 0.20 5.51 0.00 -1.26 -0.43 121.76 127.50 1iaw s ALA 274 Ca 0.01 -1.13 -0.19 0.00 0.00 0.00 0.00 51.96 50.64 1iaw s ALA 274 Cb -0.09 -0.36 0.04 0.00 0.00 0.00 0.00 23.12 22.71 1iaw s ALA 274 CO 0.01 0.42 0.57 0.00 0.00 0.00 0.00 175.76 176.76 1iaw s ALA 275 N -0.85 -1.15 -0.18 0.00 0.00 -1.07 -1.31 121.76 117.20 1iaw s ALA 275 Ca 0.08 -0.05 -0.08 0.00 0.00 0.00 0.00 51.96 51.91 1iaw s ALA 275 Cb -0.09 0.86 -0.04 0.00 0.00 0.00 0.00 23.12 23.84 1iaw s ALA 275 CO 0.02 -0.83 0.08 0.50 0.00 0.00 0.00 175.76 175.53 1iaw s ARG 276 N -3.85 4.01 -0.08 0.00 3.52 -1.26 -1.59 118.95 119.70 1iaw s ARG 276 Ca 0.07 -0.30 0.05 0.00 -0.13 0.00 0.00 55.73 55.41 1iaw s ARG 276 Cb -0.02 -3.26 -0.00 0.00 -1.56 0.00 0.00 34.95 30.11 1iaw s ARG 276 CO -0.04 0.30 -0.23 0.14 -0.81 0.00 0.00 175.30 174.66 1iaw s VAL 277 N 0.30 1.95 0.24 7.11 -7.23 -0.28 -0.30 120.40 122.19 1iaw s VAL 277 Ca 0.05 -0.98 0.12 0.00 -1.81 0.00 0.00 61.98 59.36 1iaw s VAL 277 Cb -0.12 -1.67 -0.05 0.00 0.56 0.00 0.00 36.38 35.10 1iaw s VAL 277 CO -0.00 0.54 -0.21 0.68 -0.31 0.00 0.00 175.10 175.79 1iaw s VAL 278 N 0.16 2.45 0.43 1.32 -7.23 -0.74 -4.78 120.40 112.01 1iaw s VAL 278 Ca -0.12 -2.21 -0.25 0.00 -1.81 0.00 0.00 61.98 57.59 1iaw s VAL 278 Cb -0.16 -2.24 -0.08 0.00 0.56 0.00 0.00 36.38 34.47 1iaw s VAL 278 CO 0.06 -0.26 1.26 -2.84 -0.31 0.00 0.00 175.10 173.01 1iaw s PRO 279 N -3.11 3.83 0.17 4.82 0.02 -1.26 -1.35 135.00 138.12 1iaw s PRO 279 Ca 0.26 2.04 -0.28 0.00 0.02 0.00 0.00 61.00 63.03 1iaw s PRO 279 Cb -0.06 -2.61 -0.08 0.00 0.02 0.00 0.00 34.50 31.77 1iaw s PRO 279 CO 0.13 -0.57 0.89 0.00 -0.33 0.00 0.00 177.00 177.12 1iaw s ALA 280 N -1.35 3.35 0.00 -1.55 0.00 0.92 -4.82 121.76 118.31 1iaw s ALA 280 Ca 0.60 0.51 0.00 0.00 0.00 0.00 0.00 51.96 53.08 1iaw s ALA 280 Cb -0.35 -3.14 0.00 0.00 0.00 0.00 0.00 23.12 19.62 1iaw s ALA 280 CO 0.44 0.16 0.00 -0.25 0.00 0.00 0.00 175.76 176.11 1iaw n ASP 281 N 1.94 0.00 -4.52 0.00 8.00 -1.26 -4.88 116.55 115.83 1iaw n ASP 281 Ca -0.02 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.06 1iaw n ASP 281 Cb 0.48 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.56 1iaw n ASP 281 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1iaw s GLU 282 N 0.64 3.62 0.00 -1.24 2.12 -1.26 -4.59 118.70 117.99 1iaw s GLU 282 Ca 0.00 -1.44 0.00 0.00 0.36 0.00 0.00 54.97 53.89 1iaw s GLU 282 Cb 0.00 -5.20 0.00 0.00 0.26 0.00 0.00 34.13 29.19 1iaw s GLU 282 CO 0.00 -2.04 0.00 0.41 -0.54 0.00 0.00 175.26 173.09 1iaw n GLY 283 N 6.24 0.23 1.59 -1.50 0.00 -1.26 -4.64 105.19 105.85 1iaw n GLY 283 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.32 1iaw n GLY 283 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1iaw n ASP 284 N 0.47 -7.93 -1.84 1.61 -0.08 -1.26 -4.78 116.55 102.74 1iaw n ASP 284 Ca 0.00 1.10 -0.14 0.00 -1.51 0.00 0.00 54.79 54.24 1iaw n ASP 284 Cb 0.00 -4.02 0.16 0.00 2.34 0.00 0.00 41.12 39.60 1iaw n ASP 284 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1iaw n GLN 285 N 0.69 2.26 -4.73 -0.67 10.64 -1.26 -4.88 117.38 119.44 1iaw n GLN 285 Ca 0.00 -2.23 -0.31 0.00 -1.83 0.00 0.00 57.00 52.63 1iaw n GLN 285 Cb 0.00 -1.90 -0.13 0.00 -0.86 0.00 0.00 30.24 27.35 1iaw n GLN 285 CO 0.00 0.00 0.00 1.03 -1.83 0.00 0.00 177.06 176.26 1iaw s ARG 286 N -2.40 2.18 -0.37 2.61 0.52 -1.26 -5.03 118.95 115.18 1iaw s ARG 286 Ca 0.42 -0.91 -0.37 0.00 -0.52 0.00 0.00 55.73 54.34 1iaw s ARG 286 Cb 0.35 -2.23 -0.13 0.00 0.52 0.00 0.00 34.95 33.45 1iaw s ARG 286 CO 0.09 0.56 2.17 1.04 0.02 0.00 0.00 175.30 179.17 1iaw n GLN 287 N 1.74 0.87 -2.74 3.54 6.02 -1.26 -4.89 117.38 120.65 1iaw n GLN 287 Ca -0.16 0.24 -0.22 0.00 -0.01 0.00 0.00 57.00 56.85 1iaw n GLN 287 Cb 0.52 -2.26 0.03 0.00 1.02 0.00 0.00 30.24 29.55 1iaw n GLN 287 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 1iaw s THR 288 N 6.93 3.14 -0.29 5.09 -1.32 -1.26 -4.44 115.64 123.49 1iaw s THR 288 Ca 1.11 -0.58 -0.15 0.00 -1.21 0.00 0.00 61.69 60.86 1iaw s THR 288 Cb -0.99 -3.18 0.11 0.00 -1.51 0.00 0.00 72.50 66.94 1iaw s THR 288 CO 0.53 -0.13 0.78 0.00 -2.21 0.00 0.00 174.62 173.59 1iaw s ALA 289 N -2.71 -2.08 0.18 11.08 0.00 -0.99 -4.07 121.76 123.18 1iaw s ALA 289 Ca 0.54 2.33 -0.27 0.00 0.00 0.00 0.00 51.96 54.56 1iaw s ALA 289 Cb -0.10 -1.61 -0.08 0.00 0.00 0.00 0.00 23.12 21.32 1iaw s ALA 289 CO 0.38 -0.51 0.82 -2.00 0.00 0.00 0.00 175.76 174.45 1iaw s GLU 290 N 1.84 4.64 0.00 0.00 2.12 -1.26 -1.49 118.70 124.55 1iaw s GLU 290 Ca -0.08 1.25 0.00 0.00 0.36 0.00 0.00 54.97 56.49 1iaw s GLU 290 Cb -0.06 -3.27 0.00 0.00 0.26 0.00 0.00 34.13 31.06 1iaw s GLU 290 CO -0.18 0.54 0.00 -0.89 -0.54 0.00 0.00 175.26 174.18 1iaw n ILE 291 N 1.65 0.00 -2.48 -3.70 5.41 -0.97 -4.92 119.36 114.35 1iaw n ILE 291 Ca -0.04 0.00 -0.18 0.00 1.00 0.00 0.00 62.75 63.53 1iaw n ILE 291 Cb 0.48 -0.47 0.02 0.00 -0.71 0.00 0.00 39.64 38.96 1iaw n ILE 291 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1iaw n GLN 292 N -0.88 2.61 0.00 0.38 10.64 -1.26 -4.84 117.38 124.03 1iaw n GLN 292 Ca 0.00 -3.95 0.00 0.00 -1.83 0.00 0.00 57.00 51.22 1iaw n GLN 292 Cb 0.00 -1.89 0.00 0.00 -0.86 0.00 0.00 30.24 27.49 1iaw n GLN 292 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1iaw n GLY 293 N -0.44 0.69 3.69 2.61 0.00 -1.26 -5.12 105.19 105.36 1iaw n GLY 293 Ca 0.27 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.19 1iaw n GLY 293 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1iaw s ARG 294 N 0.00 2.06 -0.48 1.61 0.52 -1.26 -5.12 118.95 116.27 1iaw s ARG 294 Ca 0.00 -1.50 -0.02 0.00 -0.52 0.00 0.00 55.73 53.68 1iaw s ARG 294 Cb 0.00 0.56 0.13 0.00 0.52 0.00 0.00 34.95 36.15 1iaw s ARG 294 CO 0.00 -0.92 0.28 1.03 0.02 0.00 0.00 175.30 175.71 1iaw s ARG 295 N -2.77 2.17 0.75 3.54 0.52 -1.26 -2.28 118.95 119.61 1iaw s ARG 295 Ca 0.21 -2.10 -0.07 0.00 -0.52 0.00 0.00 55.73 53.25 1iaw s ARG 295 Cb -0.03 -3.61 0.10 0.00 0.52 0.00 0.00 34.95 31.93 1iaw s ARG 295 CO 0.14 -1.10 1.06 -1.58 0.02 0.00 0.00 175.30 173.84 1iaw s TRP 296 N 0.66 2.41 -0.15 -0.53 0.52 -0.56 -0.05 118.94 121.25 1iaw s TRP 296 Ca 0.12 0.27 -0.28 0.00 0.02 0.00 0.00 56.10 56.23 1iaw s TRP 296 Cb -0.22 -3.32 0.07 0.00 -1.15 0.00 0.00 33.47 28.85 1iaw s TRP 296 CO -0.04 -1.69 0.68 0.00 0.02 0.00 0.00 176.95 175.93 1iaw s ALA 297 N -3.33 -1.73 -0.27 0.98 0.00 -0.46 -2.34 121.76 114.61 1iaw s ALA 297 Ca 0.64 1.60 -0.34 0.00 0.00 0.00 0.00 51.96 53.86 1iaw s ALA 297 Cb -0.08 -0.52 -0.10 0.00 0.00 0.00 0.00 23.12 22.41 1iaw s ALA 297 CO 0.46 -0.35 2.12 0.28 0.00 0.00 0.00 175.76 178.27 1iaw n VAL 298 N 1.73 0.31 -0.96 0.00 0.31 -1.26 -1.79 118.33 116.66 1iaw n VAL 298 Ca -0.17 -0.26 -0.34 0.00 -0.01 0.00 0.00 64.34 63.56 1iaw n VAL 298 Cb 0.56 -1.87 0.10 0.00 -0.91 0.00 0.00 33.84 31.72 1iaw n VAL 298 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1iaw n ALA 299 N 9.41 -2.43 -2.39 3.52 0.00 0.59 -4.86 120.51 124.36 1iaw n ALA 299 Ca 0.34 -0.49 -0.20 0.00 0.00 0.00 0.00 53.44 53.09 1iaw n ALA 299 Cb 0.28 -1.78 -0.10 0.00 0.00 0.00 0.00 19.45 17.86 1iaw n ALA 299 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1iaw s VAL 300 N -2.21 1.77 -0.47 0.00 0.11 -1.26 -4.95 120.40 113.38 1iaw s VAL 300 Ca 0.59 -2.11 -0.29 0.00 -2.93 0.00 0.00 61.98 57.23 1iaw s VAL 300 Cb -0.25 -1.97 -0.10 0.00 -1.53 0.00 0.00 36.38 32.53 1iaw s VAL 300 CO 0.65 -0.50 2.37 -0.81 -3.33 0.00 0.00 175.10 173.48 1iaw n PRO 301 N -0.15 1.10 0.00 1.54 -0.04 -1.26 -1.81 135.00 134.38 1iaw n PRO 301 Ca -0.10 0.17 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 1iaw n PRO 301 Cb 0.59 -2.94 0.00 0.00 -0.04 0.00 0.00 33.50 31.11 1iaw n PRO 301 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1iaw n GLY 302 N 6.15 3.61 3.47 0.55 0.00 -1.26 -5.11 105.19 112.60 1iaw n GLY 302 Ca 0.40 -0.56 -0.46 0.00 0.00 0.00 0.00 46.02 45.40 1iaw n GLY 302 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1iaw n ASP 303 N 0.00 -0.31 -4.77 1.61 10.43 -0.75 -4.90 116.55 117.87 1iaw n ASP 303 Ca 0.00 1.12 -0.29 0.00 2.57 0.00 0.00 54.79 58.18 1iaw n ASP 303 Cb 0.00 -1.09 0.13 0.00 1.84 0.00 0.00 41.12 42.00 1iaw n ASP 303 CO 0.00 0.00 0.00 -2.16 -1.07 0.00 0.00 177.20 173.97 1iaw s PRO 304 N -1.27 1.35 -0.52 -0.24 0.04 -1.26 -4.91 135.00 128.19 1iaw s PRO 304 Ca 0.62 0.51 -0.20 0.00 0.04 0.00 0.00 61.00 61.97 1iaw s PRO 304 Cb -0.80 -1.84 0.06 0.00 0.04 0.00 0.00 34.50 31.95 1iaw s PRO 304 CO 0.58 -2.10 0.69 0.42 0.04 0.00 0.00 177.00 176.63 1iaw s ILE 305 N -3.14 4.77 0.03 0.56 1.01 -1.26 -4.92 121.20 118.25 1iaw s ILE 305 Ca 0.63 -0.35 0.03 0.00 0.00 0.00 0.00 60.65 60.96 1iaw s ILE 305 Cb -0.16 -4.35 -0.04 0.00 0.01 0.00 0.00 42.46 37.92 1iaw s ILE 305 CO 0.55 -0.88 -0.03 -0.69 0.00 0.00 0.00 174.94 173.88 1iaw s VAL 306 N 2.90 3.88 0.16 2.92 1.01 -1.26 -4.95 120.40 125.06 1iaw s VAL 306 Ca 0.18 -0.81 -0.33 0.00 0.00 0.00 0.00 61.98 61.02 1iaw s VAL 306 Cb -0.18 -2.75 -0.13 0.00 0.00 0.00 0.00 36.38 33.32 1iaw s VAL 306 CO 0.13 0.30 1.68 1.21 0.00 0.00 0.00 175.10 178.42 1iaw n GLU 307 N 1.19 2.45 -1.07 2.72 2.13 -1.26 -3.46 120.64 123.34 1iaw n GLU 307 Ca -0.14 0.89 -0.29 0.00 0.66 0.00 0.00 57.16 58.28 1iaw n GLU 307 Cb 0.52 -2.70 0.17 0.00 0.27 0.00 0.00 31.44 29.70 1iaw n GLU 307 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1iaw s ALA 308 N 1.40 1.08 0.54 4.31 0.00 -0.97 -4.85 121.76 123.26 1iaw s ALA 308 Ca 0.79 -0.13 0.02 0.00 0.00 0.00 0.00 51.96 52.64 1iaw s ALA 308 Cb -0.59 -3.19 0.03 0.00 0.00 0.00 0.00 23.12 19.37 1iaw s ALA 308 CO 0.37 -2.73 0.76 -2.14 0.00 0.00 0.00 175.76 172.01 1iaw s PRO 309 N -4.86 2.57 -0.53 0.00 0.02 -1.26 -4.90 135.00 126.04 1iaw s PRO 309 Ca 0.65 -0.82 -0.07 0.00 0.02 0.00 0.00 61.00 60.78 1iaw s PRO 309 Cb -0.19 -2.51 0.14 0.00 0.02 0.00 0.00 34.50 31.95 1iaw s PRO 309 CO 0.58 -0.67 0.38 0.54 -0.33 0.00 0.00 177.00 177.50 1iaw s VAL 310 N -2.72 4.05 -0.40 3.83 0.11 -1.26 -4.92 120.40 119.09 1iaw s VAL 310 Ca 0.57 -2.18 -0.41 0.00 -2.93 0.00 0.00 61.98 57.03 1iaw s VAL 310 Cb -0.10 -3.66 -0.16 0.00 -1.53 0.00 0.00 36.38 30.93 1iaw s VAL 310 CO 0.38 -0.81 2.00 0.52 -3.33 0.00 0.00 175.10 173.86 1iaw n VAL 311 N 4.43 0.13 -0.54 2.04 0.31 -1.26 -4.88 118.33 118.56 1iaw n VAL 311 Ca -0.01 -0.09 -0.26 0.00 -0.01 0.00 0.00 64.34 63.97 1iaw n VAL 311 Cb 0.41 -1.03 0.18 0.00 -0.91 0.00 0.00 33.84 32.49 1iaw n VAL 311 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1iaw n PRO 312 N 6.79 -2.41 -0.27 5.55 -0.04 -1.26 -4.99 135.00 138.38 1iaw n PRO 312 Ca 0.41 -0.70 0.00 0.00 -0.04 0.00 0.00 63.50 63.17 1iaw n PRO 312 Cb 0.08 -1.64 0.00 0.00 -0.04 0.00 0.00 33.50 31.90 1iaw n PRO 312 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33