#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iwp n LYS 2 N 0.00 3.47 -3.92 0.03 5.02 -1.26 -4.94 118.16 116.55 1iwp n LYS 2 Ca 0.00 -3.34 -0.22 0.00 -2.02 0.00 0.00 58.31 52.73 1iwp n LYS 2 Cb 0.00 -3.00 -0.02 0.00 -0.02 0.00 0.00 35.03 31.99 1iwp n LYS 2 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1iwp s ARG 3 N 0.96 3.44 -0.01 1.97 3.00 -1.26 -5.07 118.95 121.98 1iwp s ARG 3 Ca 0.41 -0.69 -0.30 0.00 0.00 0.00 0.00 55.73 55.15 1iwp s ARG 3 Cb 0.11 -2.89 -0.03 0.00 0.00 0.00 0.00 34.95 32.14 1iwp s ARG 3 CO -0.01 0.43 0.99 0.45 0.00 0.00 0.00 175.30 177.16 1iwp s SER 4 N -3.82 7.34 0.44 0.23 0.15 -1.26 -4.91 113.70 111.87 1iwp s SER 4 Ca 0.35 1.66 0.23 0.00 0.70 0.00 0.00 55.95 58.88 1iwp s SER 4 Cb -0.09 -2.57 0.93 0.00 -1.71 0.00 0.00 66.02 62.57 1iwp s SER 4 CO 0.29 -0.29 1.84 0.50 1.20 0.00 0.00 173.24 176.78 1iwp h LYS 5 N 6.84 0.00 -0.11 5.44 3.64 -1.98 -1.50 116.57 128.90 1iwp h LYS 5 Ca -0.40 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 58.99 1iwp h LYS 5 Cb 1.21 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.02 1iwp h LYS 5 CO 0.77 0.25 0.04 -0.09 -2.27 0.00 0.00 179.45 178.14 1iwp h ARG 6 N 0.00 0.09 -0.04 1.90 9.65 -2.00 -0.92 114.38 123.06 1iwp h ARG 6 Ca -0.00 -0.01 -0.16 0.00 -1.10 0.00 0.00 59.98 58.71 1iwp h ARG 6 Cb 0.73 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.28 1iwp h ARG 6 CO 0.03 0.06 -0.70 0.74 2.80 0.00 0.00 179.97 182.90 1iwp h PHE 7 N 0.09 0.31 -0.87 2.20 -1.00 -1.89 -2.10 116.94 113.68 1iwp h PHE 7 Ca 0.05 -0.13 -0.01 0.00 2.81 0.00 0.00 57.97 60.68 1iwp h PHE 7 Cb 0.02 -0.05 -0.04 0.00 3.61 0.00 0.00 35.95 39.49 1iwp h PHE 7 CO -0.10 0.85 0.51 0.00 -1.61 0.00 0.00 178.31 177.96 1iwp h ALA 8 N 1.11 1.11 -0.27 2.45 0.00 -0.97 0.43 119.26 123.11 1iwp h ALA 8 Ca -0.02 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 1iwp h ALA 8 Cb 1.25 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1iwp h ALA 8 CO 0.11 0.59 -0.04 0.28 0.00 0.00 0.00 179.25 180.18 1iwp h VAL 9 N 1.20 1.27 -0.48 0.00 2.07 -1.06 -2.90 116.25 116.35 1iwp h VAL 9 Ca 0.31 -1.03 -0.01 0.00 0.82 0.00 0.00 66.70 66.78 1iwp h VAL 9 Cb -0.02 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 1iwp h VAL 9 CO -0.05 0.33 0.25 -0.07 0.02 0.00 0.00 177.57 178.04 1iwp h LEU 10 N 0.27 0.62 -2.53 2.57 3.38 -0.85 -2.07 115.31 116.70 1iwp h LEU 10 Ca 0.07 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 57.95 1iwp h LEU 10 Cb 0.50 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 1iwp h LEU 10 CO 0.02 0.55 0.09 0.00 0.09 0.00 0.00 178.44 179.19 1iwp h ALA 11 N 1.09 1.41 0.00 1.53 0.00 -0.10 -0.86 119.26 122.34 1iwp h ALA 11 Ca 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1iwp h ALA 11 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1iwp h ALA 11 CO -0.02 -0.11 -0.52 1.04 0.00 0.00 0.00 179.25 179.64 1iwp n GLN 12 N -3.49 0.03 -1.79 0.00 1.13 -0.79 -4.86 117.38 107.60 1iwp n GLN 12 Ca -0.02 0.01 -0.41 0.00 -1.94 0.00 0.00 57.00 54.63 1iwp n GLN 12 Cb 0.17 -1.51 -0.02 0.00 0.11 0.00 0.00 30.24 28.99 1iwp n GLN 12 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1iwp s ARG 13 N -3.02 4.13 0.34 -1.09 1.81 -0.33 -4.88 118.95 115.91 1iwp s ARG 13 Ca 0.11 2.56 0.14 0.00 -1.72 0.00 0.00 55.73 56.81 1iwp s ARG 13 Cb 0.17 -3.03 1.08 0.00 -0.45 0.00 0.00 34.95 32.72 1iwp s ARG 13 CO 0.70 -0.62 1.64 -1.35 -0.68 0.00 0.00 175.30 175.00 1iwp h PRO 14 N 4.81 0.22 -0.28 3.54 0.11 -1.89 -0.81 132.00 137.69 1iwp h PRO 14 Ca -0.47 -0.01 0.08 0.00 0.11 0.00 0.00 66.00 65.71 1iwp h PRO 14 Cb 1.22 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1iwp h PRO 14 CO 0.79 0.14 0.23 -0.24 -0.21 0.00 0.00 178.00 178.71 1iwp h VAL 15 N 0.22 0.73 0.00 3.15 3.04 -1.90 -0.21 116.25 121.29 1iwp h VAL 15 Ca 0.73 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.42 1iwp h VAL 15 Cb 1.70 0.84 0.00 0.00 -2.01 0.00 0.00 31.29 31.82 1iwp h VAL 15 CO -0.66 0.00 0.00 0.59 -1.01 0.00 0.00 177.57 176.49 1iwp n ASN 16 N -4.25 0.00 0.02 3.17 3.02 -0.31 -1.53 115.26 115.37 1iwp n ASN 16 Ca 0.04 -0.46 0.11 0.00 -0.03 0.00 0.00 54.58 54.25 1iwp n ASN 16 Cb 0.38 -0.06 0.10 0.00 -0.61 0.00 0.00 39.78 39.59 1iwp n ASN 16 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1iwp n GLN 17 N -1.06 0.17 -2.07 3.52 1.13 -0.09 -4.92 117.38 114.06 1iwp n GLN 17 Ca 0.13 0.01 -0.39 0.00 -1.94 0.00 0.00 57.00 54.81 1iwp n GLN 17 Cb 0.08 -1.57 -0.00 0.00 0.11 0.00 0.00 30.24 28.86 1iwp n GLN 17 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1iwp s ASP 18 N -3.58 6.16 -0.68 1.08 1.01 -0.59 -4.94 116.67 115.13 1iwp s ASP 18 Ca 0.07 2.59 -0.25 0.00 0.71 0.00 0.00 52.55 55.66 1iwp s ASP 18 Cb 0.15 -2.63 0.04 0.00 1.01 0.00 0.00 42.92 41.50 1iwp s ASP 18 CO 0.77 -0.95 1.14 -0.83 0.21 0.00 0.00 175.17 175.51 1iwp s GLY 19 N -0.90 1.11 0.00 0.21 0.00 -1.26 -5.00 107.32 101.48 1iwp s GLY 19 Ca 0.60 -1.46 0.04 0.00 0.00 0.00 0.00 44.72 43.89 1iwp s GLY 19 CO 0.46 2.39 -0.09 1.08 0.00 0.00 0.00 173.10 176.94 1iwp s LEU 20 N 4.96 3.08 0.05 0.66 1.43 -1.26 -4.26 118.68 123.34 1iwp s LEU 20 Ca 0.31 -0.18 -0.01 0.00 -1.03 0.00 0.00 54.13 53.23 1iwp s LEU 20 Cb -0.11 -1.76 -0.04 0.00 0.03 0.00 0.00 46.19 44.31 1iwp s LEU 20 CO 0.15 0.29 -0.03 0.27 0.23 0.00 0.00 176.35 177.25 1iwp s ILE 21 N -0.97 0.23 0.82 -0.59 -4.36 -0.44 -5.04 121.20 110.85 1iwp s ILE 21 Ca 0.16 -1.69 -0.12 0.00 -0.26 0.00 0.00 60.65 58.75 1iwp s ILE 21 Cb -0.11 -1.35 0.08 0.00 1.25 0.00 0.00 42.46 42.34 1iwp s ILE 21 CO 0.07 -0.92 1.10 -0.83 0.24 0.00 0.00 174.94 174.60 1iwp s GLY 22 N -2.71 1.61 0.44 6.27 0.00 -1.26 -4.45 107.32 107.21 1iwp s GLY 22 Ca 0.04 -0.26 -0.23 0.00 0.00 0.00 0.00 44.72 44.27 1iwp s GLY 22 CO -0.08 0.19 1.06 -0.54 0.00 0.00 0.00 173.10 173.72 1iwp s GLU 23 N -5.18 3.99 -0.42 2.90 2.02 -1.26 -4.97 118.70 115.79 1iwp s GLU 23 Ca 0.61 1.48 0.05 0.00 0.02 0.00 0.00 54.97 57.13 1iwp s GLU 23 Cb -0.14 -2.37 0.18 0.00 0.10 0.00 0.00 34.13 31.90 1iwp s GLU 23 CO 0.54 -0.28 0.41 1.87 0.02 0.00 0.00 175.26 177.81 1iwp n TRP 24 N -0.43 -1.22 -0.36 1.61 -0.00 0.72 -5.01 117.44 112.75 1iwp n TRP 24 Ca 0.07 -3.11 0.10 0.00 -0.00 0.00 0.00 57.50 54.56 1iwp n TRP 24 Cb 0.50 0.34 0.28 0.00 -0.00 0.00 0.00 31.31 32.44 1iwp n TRP 24 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 177.69 176.69 1iwp h PRO 25 N 5.35 0.86 -0.96 5.87 0.13 -1.91 -0.03 132.00 141.31 1iwp h PRO 25 Ca 0.22 -0.05 0.24 0.00 -0.87 0.00 0.00 66.00 65.53 1iwp h PRO 25 Cb 0.93 -0.19 -0.12 0.00 0.13 0.00 0.00 31.00 31.74 1iwp h PRO 25 CO 0.34 0.57 0.51 0.93 -0.23 0.00 0.00 178.00 180.12 1iwp h GLU 26 N 0.88 0.49 -0.60 0.86 3.07 -1.94 0.45 114.58 117.79 1iwp h GLU 26 Ca 0.54 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 59.37 1iwp h GLU 26 Cb 0.70 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.50 1iwp h GLU 26 CO -0.32 0.32 0.00 0.39 -1.40 0.00 0.00 179.01 178.00 1iwp n GLU 27 N -4.95 4.22 -0.97 2.33 -0.58 -0.79 -3.61 120.64 116.29 1iwp n GLU 27 Ca 0.25 -3.01 0.00 0.00 -0.42 0.00 0.00 57.16 53.98 1iwp n GLU 27 Cb 0.71 -2.05 0.00 0.00 -0.57 0.00 0.00 31.44 29.53 1iwp n GLU 27 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1iwp n GLY 28 N 0.81 0.44 2.62 0.62 0.00 0.16 -4.69 105.19 105.15 1iwp n GLY 28 Ca 0.26 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.87 1iwp n GLY 28 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1iwp n LEU 29 N 0.00 7.40 -3.64 0.99 4.77 -0.09 -4.13 117.00 122.30 1iwp n LEU 29 Ca 0.00 -4.23 -0.04 0.00 -0.03 0.00 0.00 56.01 51.71 1iwp n LEU 29 Cb 0.11 -1.62 -0.06 0.00 -2.33 0.00 0.00 43.42 39.52 1iwp n LEU 29 CO 0.00 1.39 0.33 -0.51 -1.33 0.00 0.00 177.39 177.27 1iwp s ILE 30 N 2.78 -0.43 0.19 -0.08 2.07 -1.26 -0.20 121.20 124.28 1iwp s ILE 30 Ca 0.53 0.00 -0.12 0.00 -1.41 0.00 0.00 60.65 59.66 1iwp s ILE 30 Cb 0.15 -1.00 0.11 0.00 0.13 0.00 0.00 42.46 41.85 1iwp s ILE 30 CO -0.08 0.00 1.75 0.00 -1.91 0.00 0.00 174.94 174.70 1iwp h ALA 31 N 7.40 0.68 -2.98 1.50 0.00 -1.84 -1.09 119.26 122.93 1iwp h ALA 31 Ca -0.25 0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.74 1iwp h ALA 31 Cb 1.17 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 1iwp h ALA 31 CO 0.13 -0.20 0.20 0.00 0.00 0.00 0.00 179.25 179.39 1iwp s MET 32 N -6.12 1.95 -1.23 0.00 0.00 -1.26 -0.45 119.30 112.20 1iwp s MET 32 Ca -0.13 -1.23 -0.23 0.00 0.00 0.00 0.00 55.69 54.10 1iwp s MET 32 Cb 0.15 0.60 0.02 0.00 0.00 0.00 0.00 34.83 35.60 1iwp s MET 32 CO 0.74 -0.90 0.65 -0.25 0.00 0.00 0.00 175.02 175.26 1iwp n ASP 33 N -0.88 -3.80 -4.78 -1.18 10.43 -1.26 -4.93 116.55 110.16 1iwp n ASP 33 Ca -0.05 -1.15 -0.37 0.00 2.57 0.00 0.00 54.79 55.78 1iwp n ASP 33 Cb 0.60 -2.52 -0.06 0.00 1.84 0.00 0.00 41.12 40.97 1iwp n ASP 33 CO 0.00 0.00 0.00 -0.55 -1.07 0.00 0.00 177.20 175.58 1iwp s SER 34 N -3.67 7.32 0.63 -2.24 0.15 -1.26 -4.92 113.70 109.71 1iwp s SER 34 Ca 0.39 1.89 0.39 0.00 0.70 0.00 0.00 55.95 59.33 1iwp s SER 34 Cb -0.18 -2.59 2.13 0.00 -1.71 0.00 0.00 66.02 63.68 1iwp s SER 34 CO 0.92 -0.09 2.29 1.55 1.20 0.00 0.00 173.24 179.11 1iwp h PRO 35 N 3.26 0.00 0.00 5.44 0.13 -1.92 0.76 132.00 139.68 1iwp h PRO 35 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1iwp h PRO 35 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1iwp h PRO 35 CO 0.65 0.01 -0.34 1.19 -0.23 0.00 0.00 178.00 179.28 1iwp n PHE 36 N -3.28 0.03 -2.17 1.56 3.72 -1.26 -4.90 117.46 111.15 1iwp n PHE 36 Ca -0.03 0.01 -0.36 0.00 -0.05 0.00 0.00 57.45 57.02 1iwp n PHE 36 Cb 0.11 -0.35 0.01 0.00 -0.94 0.00 0.00 39.48 38.30 1iwp n PHE 36 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1iwp s ASP 37 N -3.06 5.80 0.58 4.37 1.01 0.26 -4.87 116.67 120.76 1iwp s ASP 37 Ca 0.12 2.34 -0.17 0.00 0.71 0.00 0.00 52.55 55.55 1iwp s ASP 37 Cb 0.18 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.47 1iwp s ASP 37 CO 0.64 -1.18 1.07 -2.16 0.21 0.00 0.00 175.17 173.76 1iwp s PRO 38 N -2.98 3.33 0.03 8.23 0.04 -1.26 -4.95 135.00 137.45 1iwp s PRO 38 Ca 0.69 1.30 -0.23 0.00 0.04 0.00 0.00 61.00 62.80 1iwp s PRO 38 Cb -0.29 -2.03 -0.05 0.00 0.04 0.00 0.00 34.50 32.17 1iwp s PRO 38 CO 0.34 -0.81 0.71 0.08 0.04 0.00 0.00 177.00 177.35 1iwp s VAL 39 N -2.28 4.78 0.37 -0.36 1.01 -1.26 -4.87 120.40 117.78 1iwp s VAL 39 Ca 0.66 1.50 -0.28 0.00 0.00 0.00 0.00 61.98 63.85 1iwp s VAL 39 Cb -0.18 -4.05 -0.11 0.00 0.00 0.00 0.00 36.38 32.04 1iwp s VAL 39 CO 0.33 0.39 1.52 -0.94 0.00 0.00 0.00 175.10 176.40 1iwp s SER 40 N -0.14 6.31 -0.20 3.32 1.04 -1.26 -3.50 113.70 119.27 1iwp s SER 40 Ca 0.36 3.07 -0.32 0.00 0.48 0.00 0.00 55.95 59.53 1iwp s SER 40 Cb -0.20 -2.67 0.15 0.00 0.10 0.00 0.00 66.02 63.41 1iwp s SER 40 CO 0.21 -0.91 1.19 -0.94 0.98 0.00 0.00 173.24 173.78 1iwp s SER 41 N -0.03 -0.17 0.03 7.02 1.04 -1.26 -4.82 113.70 115.51 1iwp s SER 41 Ca 0.55 0.10 -0.18 0.00 0.48 0.00 0.00 55.95 56.90 1iwp s SER 41 Cb -0.47 0.16 0.03 0.00 0.10 0.00 0.00 66.02 65.84 1iwp s SER 41 CO 0.62 -0.22 0.40 0.54 0.98 0.00 0.00 173.24 175.57 1iwp s VAL 42 N -1.73 0.06 -0.17 5.02 0.11 -1.26 0.13 120.40 122.56 1iwp s VAL 42 Ca 0.06 -0.46 -0.07 0.00 -2.93 0.00 0.00 61.98 58.59 1iwp s VAL 42 Cb -0.01 -0.92 0.07 0.00 -1.53 0.00 0.00 36.38 34.00 1iwp s VAL 42 CO -0.04 -0.25 0.37 -0.75 -3.33 0.00 0.00 175.10 171.09 1iwp s LYS 43 N -2.31 0.29 -0.22 1.54 2.47 -0.74 -4.91 119.74 115.85 1iwp s LYS 43 Ca -0.06 0.88 -0.08 0.00 -1.56 0.00 0.00 55.97 55.14 1iwp s LYS 43 Cb -0.01 0.13 -0.04 0.00 -1.46 0.00 0.00 37.83 36.45 1iwp s LYS 43 CO -0.01 -0.23 0.10 0.08 0.16 0.00 0.00 175.35 175.44 1iwp s VAL 44 N 2.18 4.81 -0.30 4.02 1.01 -1.26 0.09 120.40 130.95 1iwp s VAL 44 Ca -0.04 -0.01 0.01 0.00 0.00 0.00 0.00 61.98 61.94 1iwp s VAL 44 Cb -0.11 -3.22 0.09 0.00 0.00 0.00 0.00 36.38 33.14 1iwp s VAL 44 CO -0.12 0.38 0.05 -0.62 0.00 0.00 0.00 175.10 174.79 1iwp s ASP 45 N 1.02 4.19 -0.88 3.32 -1.08 -0.08 -4.82 116.67 118.35 1iwp s ASP 45 Ca 0.05 -1.68 -0.03 0.00 -0.52 0.00 0.00 52.55 50.37 1iwp s ASP 45 Cb -0.14 -1.17 -0.04 0.00 -1.46 0.00 0.00 42.92 40.11 1iwp s ASP 45 CO 0.03 -0.36 0.75 -3.20 0.52 0.00 0.00 175.17 172.92 1iwp n ASN 46 N 4.62 -4.57 -1.70 -0.34 4.05 -1.26 -3.08 115.26 112.99 1iwp n ASN 46 Ca -0.02 -0.54 -0.20 0.00 0.45 0.00 0.00 54.58 54.26 1iwp n ASN 46 Cb 0.43 -4.24 -0.07 0.00 1.23 0.00 0.00 39.78 37.12 1iwp n ASN 46 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1iwp n GLY 47 N -1.23 1.52 2.83 8.20 0.00 -1.26 -4.97 105.19 110.28 1iwp n GLY 47 Ca -0.11 -0.03 -0.19 0.00 0.00 0.00 0.00 46.02 45.69 1iwp n GLY 47 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1iwp s LEU 48 N -4.87 1.06 -0.16 0.99 2.96 -1.18 -5.02 118.68 112.47 1iwp s LEU 48 Ca 0.00 -0.06 -0.29 0.00 -0.22 0.00 0.00 54.13 53.56 1iwp s LEU 48 Cb 0.00 -0.33 -0.03 0.00 0.50 0.00 0.00 46.19 46.33 1iwp s LEU 48 CO 0.00 -0.11 1.55 -0.63 -1.32 0.00 0.00 176.35 175.84 1iwp s ILE 49 N 1.21 3.79 -1.44 6.68 1.01 -1.26 -0.90 121.20 130.29 1iwp s ILE 49 Ca -0.07 0.92 0.12 0.00 0.00 0.00 0.00 60.65 61.62 1iwp s ILE 49 Cb -0.13 -3.71 0.11 0.00 0.01 0.00 0.00 42.46 38.74 1iwp s ILE 49 CO -0.02 -0.20 0.90 1.33 0.00 0.00 0.00 174.94 176.95 1iwp n VAL 50 N 5.93 0.06 -3.71 2.92 0.24 0.11 -4.86 118.33 119.03 1iwp n VAL 50 Ca 0.17 -0.53 -0.12 0.00 -2.04 0.00 0.00 64.34 61.83 1iwp n VAL 50 Cb 0.44 1.20 -0.12 0.00 -1.47 0.00 0.00 33.84 33.89 1iwp n VAL 50 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1iwp s GLU 51 N -0.98 0.28 -0.15 7.34 -6.30 -1.13 -0.38 118.70 117.37 1iwp s GLU 51 Ca 0.14 0.67 -0.04 0.00 -2.50 0.00 0.00 54.97 53.25 1iwp s GLU 51 Cb 0.10 -0.05 0.05 0.00 0.00 0.00 0.00 34.13 34.23 1iwp s GLU 51 CO 0.15 -0.18 0.07 -1.17 0.02 0.00 0.00 175.26 174.15 1iwp s LEU 52 N 1.49 0.47 -1.18 2.70 2.96 -0.01 -1.79 118.68 123.32 1iwp s LEU 52 Ca -0.08 -0.51 -0.29 0.00 -0.22 0.00 0.00 54.13 53.03 1iwp s LEU 52 Cb -0.10 -0.30 0.02 0.00 0.50 0.00 0.00 46.19 46.31 1iwp s LEU 52 CO -0.10 -0.32 0.74 0.47 -1.32 0.00 0.00 176.35 175.81 1iwp n ASP 53 N 5.23 -4.69 0.00 3.68 8.00 0.36 -1.73 116.55 127.41 1iwp n ASP 53 Ca -0.07 -1.18 0.00 0.00 0.71 0.00 0.00 54.79 54.26 1iwp n ASP 53 Cb 0.49 -2.44 0.00 0.00 -0.02 0.00 0.00 41.12 39.15 1iwp n ASP 53 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1iwp n GLY 54 N -1.91 0.58 3.22 0.44 0.00 -1.23 -4.48 105.19 101.82 1iwp n GLY 54 Ca -0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 1iwp n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iwp s LYS 55 N -0.22 3.04 0.57 1.61 1.02 -0.70 -5.08 119.74 119.98 1iwp s LYS 55 Ca 0.00 -0.88 -0.16 0.00 0.02 0.00 0.00 55.97 54.95 1iwp s LYS 55 Cb 0.00 -2.30 -0.05 0.00 -0.52 0.00 0.00 37.83 34.96 1iwp s LYS 55 CO 0.00 0.19 1.05 1.03 -0.92 0.00 0.00 175.35 176.70 1iwp s ARG 56 N 0.32 3.43 0.36 1.68 0.52 -1.26 -0.83 118.95 123.17 1iwp s ARG 56 Ca -0.18 1.22 0.09 0.00 -0.52 0.00 0.00 55.73 56.33 1iwp s ARG 56 Cb -0.18 -2.05 0.82 0.00 0.52 0.00 0.00 34.95 34.06 1iwp s ARG 56 CO 0.09 -0.72 1.89 -0.09 0.02 0.00 0.00 175.30 176.49 1iwp h ARG 57 N 0.64 0.67 0.00 3.54 2.43 -1.05 0.55 114.38 121.17 1iwp h ARG 57 Ca -0.47 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 1iwp h ARG 57 Cb 1.22 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.62 1iwp h ARG 57 CO 0.58 0.44 0.00 -0.40 -1.51 0.00 0.00 179.97 179.08 1iwp n ASP 58 N -4.53 0.15 -0.18 -3.80 5.75 -1.26 -0.87 116.55 111.80 1iwp n ASP 58 Ca 0.16 0.55 0.09 0.00 -0.01 0.00 0.00 54.79 55.58 1iwp n ASP 58 Cb 0.42 -0.58 -0.06 0.00 -1.03 0.00 0.00 41.12 39.87 1iwp n ASP 58 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1iwp n GLN 59 N -1.69 1.12 -1.71 0.11 6.02 0.19 -5.01 117.38 116.42 1iwp n GLN 59 Ca 0.01 -0.38 -0.43 0.00 -0.01 0.00 0.00 57.00 56.19 1iwp n GLN 59 Cb 0.08 -1.38 -0.02 0.00 1.02 0.00 0.00 30.24 29.94 1iwp n GLN 59 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1iwp n PHE 60 N -0.86 2.58 -2.80 1.08 3.01 -0.05 -4.92 117.46 115.50 1iwp n PHE 60 Ca 0.05 0.28 -0.22 0.00 1.01 0.00 0.00 57.45 58.57 1iwp n PHE 60 Cb 0.34 -2.56 0.09 0.00 -0.01 0.00 0.00 39.48 37.34 1iwp n PHE 60 CO 0.00 0.00 0.00 0.16 1.01 0.00 0.00 176.76 177.93 1iwp s ASP 61 N 0.57 4.61 0.26 4.37 3.84 -1.26 -4.81 116.67 124.25 1iwp s ASP 61 Ca 0.68 -0.63 -0.01 0.00 -0.00 0.00 0.00 52.55 52.59 1iwp s ASP 61 Cb -0.56 0.23 0.57 0.00 -1.38 0.00 0.00 42.92 41.78 1iwp s ASP 61 CO 0.45 -1.69 1.70 0.24 -0.00 0.00 0.00 175.17 175.87 1iwp h MET 62 N -0.26 0.37 -0.12 2.11 2.86 -1.99 -1.48 114.93 116.42 1iwp h MET 62 Ca -0.32 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.28 1iwp h MET 62 Cb 1.27 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 32.85 1iwp h MET 62 CO 0.39 0.24 0.02 0.82 1.06 0.00 0.00 176.91 179.44 1iwp h ILE 63 N 0.38 1.22 -0.17 -1.22 2.04 -1.95 -0.63 117.51 117.18 1iwp h ILE 63 Ca 0.48 -0.71 0.04 0.00 1.00 0.00 0.00 64.86 65.67 1iwp h ILE 63 Cb 0.83 1.46 -0.04 0.00 -0.74 0.00 0.00 36.82 38.33 1iwp h ILE 63 CO -0.49 0.21 -0.07 0.44 0.00 0.00 0.00 178.15 178.23 1iwp h ASP 64 N -0.03 -0.25 -0.17 1.72 3.32 -1.77 -0.36 116.42 118.87 1iwp h ASP 64 Ca 0.04 0.06 0.01 0.00 0.02 0.00 0.00 57.03 57.16 1iwp h ASP 64 Cb 0.30 0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 1iwp h ASP 64 CO 0.00 -0.10 0.09 -0.09 -1.72 0.00 0.00 179.24 177.43 1iwp h ARG 65 N -0.05 0.19 -0.25 3.56 2.43 -1.23 0.18 114.38 119.21 1iwp h ARG 65 Ca 0.09 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.27 1iwp h ARG 65 Cb 0.19 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 1iwp h ARG 65 CO -0.21 0.13 0.10 0.35 -1.51 0.00 0.00 179.97 178.83 1iwp h PHE 66 N 0.20 0.18 -0.27 2.20 3.57 -0.83 -1.08 116.94 120.91 1iwp h PHE 66 Ca 0.07 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.58 1iwp h PHE 66 Cb -0.00 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 1iwp h PHE 66 CO -0.08 0.09 0.16 0.82 -2.23 0.00 0.00 178.31 177.07 1iwp h ILE 67 N 0.22 1.11 -0.56 1.41 2.04 -0.79 0.83 117.51 121.78 1iwp h ILE 67 Ca 0.11 -0.27 0.02 0.00 1.00 0.00 0.00 64.86 65.72 1iwp h ILE 67 Cb 0.06 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 36.91 1iwp h ILE 67 CO -0.10 0.11 0.34 0.00 0.00 0.00 0.00 178.15 178.50 1iwp h ALA 68 N 1.05 0.71 0.00 1.87 0.00 -0.37 0.47 119.26 122.98 1iwp h ALA 68 Ca 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1iwp h ALA 68 Cb 0.03 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1iwp h ALA 68 CO -0.02 0.07 -0.53 -0.25 0.00 0.00 0.00 179.25 178.52 1iwp n ASP 69 N -4.76 0.55 0.00 0.00 8.00 -0.43 -4.47 116.55 115.44 1iwp n ASP 69 Ca 0.04 -0.04 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1iwp n ASP 69 Cb 0.07 0.17 0.00 0.00 -0.02 0.00 0.00 41.12 41.34 1iwp n ASP 69 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1iwp n TYR 70 N -1.76 0.00 1.32 1.24 4.02 0.27 -4.88 117.16 117.36 1iwp n TYR 70 Ca 0.05 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 58.07 1iwp n TYR 70 Cb 0.38 0.00 0.40 0.00 -0.02 0.00 0.00 39.34 40.10 1iwp n TYR 70 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1iwp n ALA 71 N -1.95 2.54 -3.39 -0.72 0.00 0.14 -4.36 120.51 112.78 1iwp n ALA 71 Ca 0.00 -0.53 -0.20 0.00 0.00 0.00 0.00 53.44 52.71 1iwp n ALA 71 Cb 0.35 -1.06 -0.16 0.00 0.00 0.00 0.00 19.45 18.57 1iwp n ALA 71 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1iwp s ILE 72 N -1.96 0.67 -0.59 0.00 1.01 -1.17 -4.68 121.20 114.48 1iwp s ILE 72 Ca 0.35 -0.24 -0.26 0.00 0.00 0.00 0.00 60.65 60.50 1iwp s ILE 72 Cb 0.20 -0.64 -0.03 0.00 0.01 0.00 0.00 42.46 42.00 1iwp s ILE 72 CO 0.32 0.24 1.96 0.21 0.00 0.00 0.00 174.94 177.67 1iwp s ASN 73 N 0.60 5.12 0.33 3.58 3.04 -0.03 -4.82 114.94 122.76 1iwp s ASN 73 Ca -0.09 0.48 0.02 0.00 0.04 0.00 0.00 52.86 53.32 1iwp s ASN 73 Cb -0.12 -2.52 0.60 0.00 -1.54 0.00 0.00 41.25 37.67 1iwp s ASN 73 CO 0.01 -2.47 1.96 -0.37 -3.04 0.00 0.00 177.10 173.20 1iwp h VAL 74 N 7.04 1.11 0.00 -5.21 -1.51 -1.91 -0.82 116.25 114.95 1iwp h VAL 74 Ca -0.26 -0.32 0.00 0.00 -1.23 0.00 0.00 66.70 64.90 1iwp h VAL 74 Cb 1.18 0.11 0.00 0.00 -2.13 0.00 0.00 31.29 30.45 1iwp h VAL 74 CO 1.21 0.17 0.00 -0.33 -1.23 0.00 0.00 177.57 177.38 1iwp h GLU 75 N 0.92 0.00 0.00 5.19 3.07 -1.96 -3.26 114.58 118.54 1iwp h GLU 75 Ca 0.31 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.17 1iwp h GLU 75 Cb 0.07 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.98 1iwp h GLU 75 CO -0.09 0.00 -0.42 0.54 -1.40 0.00 0.00 179.01 177.64 1iwp n ARG 76 N -2.95 3.82 -0.04 2.33 1.74 -0.93 -4.83 116.66 115.80 1iwp n ARG 76 Ca -0.01 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 56.99 1iwp n ARG 76 Cb 0.19 -0.70 -0.02 0.00 -1.02 0.00 0.00 32.46 30.91 1iwp n ARG 76 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1iwp h THR 77 N 0.00 0.52 -0.65 0.55 1.03 -1.20 0.12 112.91 113.28 1iwp h THR 77 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 66.41 66.52 1iwp h THR 77 Cb 0.00 0.52 -0.09 0.00 -1.07 0.00 0.00 68.15 67.51 1iwp h THR 77 CO 0.00 0.00 0.16 -0.33 -0.01 0.00 0.00 175.52 175.34 1iwp h GLU 78 N -0.18 0.28 -0.03 0.00 5.08 -1.82 0.51 114.58 118.42 1iwp h GLU 78 Ca 0.13 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 1iwp h GLU 78 Cb 0.37 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 1iwp h GLU 78 CO -0.32 0.19 -0.04 0.37 -1.00 0.00 0.00 179.01 178.20 1iwp h GLN 79 N 0.29 0.08 -0.53 2.33 4.15 -1.79 -3.15 115.11 116.49 1iwp h GLN 79 Ca 0.34 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.72 1iwp h GLN 79 Cb 0.53 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.19 1iwp h GLN 79 CO -0.42 0.59 0.32 0.00 -1.93 0.00 0.00 178.83 177.39 1iwp h ALA 80 N 0.49 1.56 0.00 3.38 0.00 -0.32 -0.99 119.26 123.38 1iwp h ALA 80 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1iwp h ALA 80 Cb 0.58 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1iwp h ALA 80 CO 0.01 0.38 0.00 -1.33 0.00 0.00 0.00 179.25 178.31 1iwp n MET 81 N -4.43 0.04 0.00 0.00 2.81 0.18 -1.97 117.12 113.75 1iwp n MET 81 Ca 0.05 0.22 0.14 0.00 -1.81 0.00 0.00 57.70 56.30 1iwp n MET 81 Cb 0.07 -1.50 0.56 0.00 -0.71 0.00 0.00 33.22 31.64 1iwp n MET 81 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1iwp n ARG 82 N -1.46 0.23 -2.70 0.03 1.74 -0.37 -4.80 116.66 109.33 1iwp n ARG 82 Ca 0.04 -0.06 -0.39 0.00 -0.77 0.00 0.00 57.85 56.68 1iwp n ARG 82 Cb 0.17 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 30.05 1iwp n ARG 82 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1iwp s LEU 83 N -2.81 4.50 0.58 0.55 1.43 -0.83 -5.02 118.68 117.08 1iwp s LEU 83 Ca 0.19 1.98 -0.18 0.00 -1.03 0.00 0.00 54.13 55.09 1iwp s LEU 83 Cb 0.19 -3.79 -0.04 0.00 0.03 0.00 0.00 46.19 42.59 1iwp s LEU 83 CO 0.54 -0.02 1.12 -1.61 0.23 0.00 0.00 176.35 176.62 1iwp s GLU 84 N -1.60 3.18 0.27 1.70 2.02 -1.26 -4.91 118.70 118.09 1iwp s GLU 84 Ca 0.46 1.54 -0.02 0.00 0.02 0.00 0.00 54.97 56.96 1iwp s GLU 84 Cb -0.24 -1.99 0.37 0.00 0.10 0.00 0.00 34.13 32.37 1iwp s GLU 84 CO 0.31 -0.97 1.84 0.00 0.02 0.00 0.00 175.26 176.46 1iwp h ALA 85 N 0.82 1.22 0.00 5.21 0.00 -1.93 -1.63 119.26 122.95 1iwp h ALA 85 Ca -0.49 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.19 1iwp h ALA 85 Cb 1.26 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1iwp h ALA 85 CO 0.56 0.56 -0.27 -0.24 0.00 0.00 0.00 179.25 179.86 1iwp h VAL 86 N 0.91 1.10 -0.19 0.00 3.04 -1.89 -0.65 116.25 118.57 1iwp h VAL 86 Ca 0.21 -0.97 -0.08 0.00 -1.01 0.00 0.00 66.70 64.85 1iwp h VAL 86 Cb 0.21 1.54 -0.00 0.00 -2.01 0.00 0.00 31.29 31.02 1iwp h VAL 86 CO -0.02 0.27 -0.18 -0.08 -1.01 0.00 0.00 177.57 176.55 1iwp h GLU 87 N 0.00 0.46 -0.72 4.17 4.57 -1.68 -1.01 114.58 120.37 1iwp h GLU 87 Ca -0.00 -0.24 -0.06 0.00 -1.18 0.00 0.00 59.36 57.88 1iwp h GLU 87 Cb 0.52 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.08 1iwp h GLU 87 CO 0.04 0.81 0.21 0.82 -1.18 0.00 0.00 179.01 179.71 1iwp h ILE 88 N 0.13 1.26 -0.98 2.32 2.04 -1.04 -1.79 117.51 119.46 1iwp h ILE 88 Ca 0.03 -0.91 0.05 0.00 1.00 0.00 0.00 64.86 65.04 1iwp h ILE 88 Cb 0.72 0.48 -0.06 0.00 -0.74 0.00 0.00 36.82 37.21 1iwp h ILE 88 CO 0.05 0.36 0.63 0.00 0.00 0.00 0.00 178.15 179.18 1iwp h ALA 89 N 1.15 1.33 -0.44 1.87 0.00 -0.91 -1.00 119.26 121.27 1iwp h ALA 89 Ca 0.23 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 1iwp h ALA 89 Cb 0.31 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1iwp h ALA 89 CO -0.01 0.46 0.01 0.00 0.00 0.00 0.00 179.25 179.71 1iwp h ARG 90 N 1.18 0.77 -0.85 0.00 3.08 -0.76 -2.76 114.38 115.04 1iwp h ARG 90 Ca 0.41 -0.24 0.07 0.00 0.07 0.00 0.00 59.98 60.29 1iwp h ARG 90 Cb 0.10 -0.07 -0.06 0.00 0.08 0.00 0.00 29.97 30.03 1iwp h ARG 90 CO -0.15 0.83 0.55 0.52 -1.07 0.00 0.00 179.97 180.65 1iwp h MET 91 N 0.61 0.89 -0.11 0.04 2.86 -0.43 0.39 114.93 119.17 1iwp h MET 91 Ca 0.13 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.70 1iwp h MET 91 Cb 0.48 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 1iwp h MET 91 CO 0.02 0.59 0.01 -0.07 1.06 0.00 0.00 176.91 178.51 1iwp h LEU 92 N 0.91 0.14 0.00 1.22 3.38 -0.92 -2.64 115.31 117.40 1iwp h LEU 92 Ca 0.37 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.33 1iwp h LEU 92 Cb 0.27 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1iwp h LEU 92 CO -0.14 0.17 -1.07 1.33 0.09 0.00 0.00 178.44 178.82 1iwp n VAL 93 N -4.45 0.00 -2.06 1.22 0.24 -0.66 -4.13 118.33 108.50 1iwp n VAL 93 Ca -0.01 -0.16 -0.42 0.00 -2.04 0.00 0.00 64.34 61.70 1iwp n VAL 93 Cb 0.14 0.78 -0.03 0.00 -1.47 0.00 0.00 33.84 33.26 1iwp n VAL 93 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1iwp s ASP 94 N -3.00 5.86 0.40 -1.34 -1.08 0.13 -4.87 116.67 112.77 1iwp s ASP 94 Ca 0.03 1.08 0.27 0.00 -0.52 0.00 0.00 52.55 53.42 1iwp s ASP 94 Cb 0.13 -2.53 1.42 0.00 -1.46 0.00 0.00 42.92 40.48 1iwp s ASP 94 CO 0.73 -1.77 1.83 0.16 0.52 0.00 0.00 175.17 176.64 1iwp h ILE 95 N 6.77 0.00 -0.01 4.11 3.07 -1.89 -0.12 117.51 129.43 1iwp h ILE 95 Ca -0.31 -0.06 0.00 0.00 1.55 0.00 0.00 64.86 66.04 1iwp h ILE 95 Cb 1.16 0.71 0.00 0.00 -0.27 0.00 0.00 36.82 38.42 1iwp h ILE 95 CO 1.07 0.00 -0.05 1.41 -1.05 0.00 0.00 178.15 179.53 1iwp n HIS 96 N -2.47 0.00 -3.83 0.16 8.25 -1.26 -4.55 115.22 111.52 1iwp n HIS 96 Ca -0.01 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.09 1iwp n HIS 96 Cb 0.08 -0.03 -0.13 0.00 1.12 0.00 0.00 29.99 31.03 1iwp n HIS 96 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1iwp s VAL 97 N -2.10 3.77 0.75 1.59 1.01 -0.06 -5.09 120.40 120.26 1iwp s VAL 97 Ca 0.36 -0.43 -0.11 0.00 0.00 0.00 0.00 61.98 61.80 1iwp s VAL 97 Cb 0.21 -2.77 0.04 0.00 0.00 0.00 0.00 36.38 33.86 1iwp s VAL 97 CO 0.37 0.34 1.08 -0.94 0.00 0.00 0.00 175.10 175.95 1iwp s SER 98 N 1.52 4.77 0.19 3.32 1.04 -1.26 -4.86 113.70 118.43 1iwp s SER 98 Ca 0.05 1.77 -0.11 0.00 0.48 0.00 0.00 55.95 58.14 1iwp s SER 98 Cb -0.15 -2.51 0.17 0.00 0.10 0.00 0.00 66.02 63.62 1iwp s SER 98 CO -0.00 -1.86 1.82 -0.09 0.98 0.00 0.00 173.24 174.09 1iwp h ARG 99 N -0.98 0.67 -0.62 4.02 2.43 -1.86 -1.80 114.38 116.24 1iwp h ARG 99 Ca -0.44 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 58.64 1iwp h ARG 99 Cb 1.23 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 30.60 1iwp h ARG 99 CO 0.53 0.44 0.16 0.93 -1.51 0.00 0.00 179.97 180.52 1iwp h GLU 100 N 0.69 0.96 -0.71 0.20 3.07 -1.95 -1.08 114.58 115.76 1iwp h GLU 100 Ca 0.25 -0.20 -0.06 0.00 -0.50 0.00 0.00 59.36 58.85 1iwp h GLU 100 Cb 0.08 -0.14 -0.03 0.00 -0.84 0.00 0.00 28.75 27.82 1iwp h GLU 100 CO -0.13 0.84 0.20 0.93 -1.40 0.00 0.00 179.01 179.46 1iwp h GLU 101 N 0.92 1.10 -0.45 2.33 5.08 -1.77 -1.90 114.58 119.89 1iwp h GLU 101 Ca 0.20 -0.24 -0.10 0.00 -1.00 0.00 0.00 59.36 58.22 1iwp h GLU 101 Cb 0.31 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1iwp h GLU 101 CO -0.00 0.95 -0.10 0.82 -1.00 0.00 0.00 179.01 179.68 1iwp h ILE 102 N 1.06 1.27 -0.56 3.13 2.04 -0.90 -3.11 117.51 120.44 1iwp h ILE 102 Ca 0.23 -1.21 -0.04 0.00 1.00 0.00 0.00 64.86 64.84 1iwp h ILE 102 Cb 0.32 1.12 -0.03 0.00 -0.74 0.00 0.00 36.82 37.50 1iwp h ILE 102 CO -0.00 0.42 0.20 0.40 0.00 0.00 0.00 178.15 179.16 1iwp h ILE 103 N 0.71 1.21 0.00 -0.67 2.04 -0.90 0.21 117.51 120.11 1iwp h ILE 103 Ca 0.12 -0.69 -0.02 0.00 1.00 0.00 0.00 64.86 65.28 1iwp h ILE 103 Cb 0.64 0.57 -0.00 0.00 -0.74 0.00 0.00 36.82 37.29 1iwp h ILE 103 CO 0.04 0.27 -0.07 0.00 0.00 0.00 0.00 178.15 178.39 1iwp h ALA 104 N 1.42 1.46 0.00 1.87 0.00 -1.29 -1.43 119.26 121.29 1iwp h ALA 104 Ca 0.19 -0.07 -0.20 0.00 0.00 0.00 0.00 54.91 54.83 1iwp h ALA 104 Cb 0.20 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1iwp h ALA 104 CO -0.01 0.09 -1.18 -0.89 0.00 0.00 0.00 179.25 177.25 1iwp n ILE 105 N -3.84 1.52 -0.13 0.00 5.41 -0.32 -4.27 119.36 117.72 1iwp n ILE 105 Ca -0.02 0.00 0.02 0.00 1.00 0.00 0.00 62.75 63.75 1iwp n ILE 105 Cb 0.17 -2.09 0.32 0.00 -0.71 0.00 0.00 39.64 37.32 1iwp n ILE 105 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 176.55 177.26 1iwp h THR 106 N -1.00 1.16 0.00 1.39 1.35 -0.58 0.89 112.91 116.12 1iwp h THR 106 Ca -0.31 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.26 1iwp h THR 106 Cb 1.20 0.26 0.00 0.00 -1.73 0.00 0.00 68.15 67.88 1iwp h THR 106 CO -0.19 0.15 0.00 0.35 -0.25 0.00 0.00 175.52 175.59 1iwp n THR 107 N -4.44 0.00 -0.07 6.82 -2.24 -0.55 -2.07 114.28 111.73 1iwp n THR 107 Ca 0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 1iwp n THR 107 Cb 0.04 -0.55 0.00 0.00 -2.10 0.00 0.00 70.33 67.72 1iwp n THR 107 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1iwp n ALA 108 N -0.87 1.96 -2.43 6.98 0.00 0.29 -0.85 120.51 125.59 1iwp n ALA 108 Ca 0.11 -1.01 -0.27 0.00 0.00 0.00 0.00 53.44 52.28 1iwp n ALA 108 Cb 0.05 -0.01 -0.02 0.00 0.00 0.00 0.00 19.45 19.47 1iwp n ALA 108 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1iwp s ILE 109 N -0.99 1.72 0.41 0.00 -4.36 -0.88 -3.70 121.20 113.40 1iwp s ILE 109 Ca 0.01 -1.56 0.08 0.00 -0.26 0.00 0.00 60.65 58.91 1iwp s ILE 109 Cb 0.01 -2.28 -0.01 0.00 1.25 0.00 0.00 42.46 41.43 1iwp s ILE 109 CO 0.00 0.00 0.47 0.42 0.24 0.00 0.00 174.94 176.07 1iwp s THR 110 N -2.75 2.89 0.20 8.37 -4.23 -1.26 -4.88 115.64 113.98 1iwp s THR 110 Ca 0.32 -1.18 -0.10 0.00 -1.18 0.00 0.00 61.69 59.55 1iwp s THR 110 Cb -0.01 -3.02 0.13 0.00 1.34 0.00 0.00 72.50 70.93 1iwp s THR 110 CO 0.20 -0.01 1.77 -0.65 -0.54 0.00 0.00 174.62 175.39 1iwp h PRO 111 N 0.85 0.50 -0.51 3.99 0.11 -1.96 -1.06 132.00 133.92 1iwp h PRO 111 Ca -0.41 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.58 1iwp h PRO 111 Cb 1.27 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 1iwp h PRO 111 CO 0.52 0.33 -0.05 0.00 -0.21 0.00 0.00 178.00 178.59 1iwp h ALA 112 N 1.36 0.95 -0.26 -0.75 0.00 -1.91 -2.89 119.26 115.76 1iwp h ALA 112 Ca 0.28 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1iwp h ALA 112 Cb 0.26 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1iwp h ALA 112 CO -0.23 0.63 0.15 -0.22 0.00 0.00 0.00 179.25 179.57 1iwp h LYS 113 N 0.82 0.36 -0.52 0.00 1.63 -1.71 -1.60 116.57 115.54 1iwp h LYS 113 Ca 0.15 -0.04 0.05 0.00 -0.85 0.00 0.00 60.65 59.96 1iwp h LYS 113 Cb 0.56 -0.07 -0.05 0.00 -0.60 0.00 0.00 32.23 32.07 1iwp h LYS 113 CO 0.03 0.30 0.26 0.00 -3.45 0.00 0.00 179.45 176.59 1iwp h ALA 114 N 1.03 0.67 -0.03 5.00 0.00 -1.09 -0.51 119.26 124.33 1iwp h ALA 114 Ca 0.09 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 1iwp h ALA 114 Cb 0.05 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1iwp h ALA 114 CO -0.02 -0.09 -0.48 -0.39 0.00 0.00 0.00 179.25 178.27 1iwp h VAL 115 N 0.50 1.34 -0.25 0.00 -1.51 -1.40 -2.01 116.25 112.92 1iwp h VAL 115 Ca 0.23 -1.66 -0.07 0.00 -1.23 0.00 0.00 66.70 63.97 1iwp h VAL 115 Cb 0.15 1.86 -0.01 0.00 -2.13 0.00 0.00 31.29 31.16 1iwp h VAL 115 CO -0.17 0.48 -0.14 -0.33 -1.23 0.00 0.00 177.57 176.18 1iwp h GLU 116 N 0.07 0.42 -0.28 5.19 5.08 -0.38 0.61 114.58 125.29 1iwp h GLU 116 Ca 0.00 -0.12 -0.07 0.00 -1.00 0.00 0.00 59.36 58.17 1iwp h GLU 116 Cb 0.87 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 1iwp h GLU 116 CO 0.07 0.56 -0.11 0.28 -1.00 0.00 0.00 179.01 178.81 1iwp h VAL 117 N 0.39 1.29 -0.87 3.13 2.07 -0.62 -2.96 116.25 118.68 1iwp h VAL 117 Ca 0.07 -1.18 0.02 0.00 0.82 0.00 0.00 66.70 66.43 1iwp h VAL 117 Cb 0.49 1.47 -0.05 0.00 -1.52 0.00 0.00 31.29 31.68 1iwp h VAL 117 CO 0.03 0.38 0.57 0.24 0.02 0.00 0.00 177.57 178.81 1iwp h MET 118 N 0.33 1.09 -0.29 1.57 2.86 -0.69 -1.82 114.93 117.98 1iwp h MET 118 Ca 0.07 -0.07 0.08 0.00 -2.06 0.00 0.00 59.70 57.72 1iwp h MET 118 Cb 0.62 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 32.02 1iwp h MET 118 CO 0.04 0.72 0.26 0.00 1.06 0.00 0.00 176.91 178.99 1iwp h ALA 119 N 1.48 2.06 -0.04 6.32 0.00 -0.73 0.00 119.26 128.36 1iwp h ALA 119 Ca 0.34 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1iwp h ALA 119 Cb -0.04 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1iwp h ALA 119 CO -0.09 -0.41 0.00 1.04 0.00 0.00 0.00 179.25 179.79 1iwp n GLN 120 N -4.04 1.25 -5.27 0.00 1.13 -0.68 -4.88 117.38 104.88 1iwp n GLN 120 Ca 0.04 -0.37 -0.31 0.00 -1.94 0.00 0.00 57.00 54.43 1iwp n GLN 120 Cb 0.41 -1.37 -0.16 0.00 0.11 0.00 0.00 30.24 29.23 1iwp n GLN 120 CO 0.00 0.00 0.00 -1.64 -1.44 0.00 0.00 177.06 173.98 1iwp s MET 121 N -1.95 2.14 0.73 -1.09 -1.94 -0.02 -5.04 119.30 112.14 1iwp s MET 121 Ca 0.33 -0.90 -0.05 0.00 -1.71 0.00 0.00 55.69 53.36 1iwp s MET 121 Cb 0.16 -2.02 0.10 0.00 2.01 0.00 0.00 34.83 35.09 1iwp s MET 121 CO 0.26 0.51 1.02 0.54 -0.01 0.00 0.00 175.02 177.35 1iwp s ASN 122 N -0.51 4.45 0.35 3.03 2.20 -1.26 -4.87 114.94 118.34 1iwp s ASN 122 Ca 0.07 0.10 0.06 0.00 -0.94 0.00 0.00 52.86 52.15 1iwp s ASN 122 Cb -0.11 -0.60 0.66 0.00 -2.00 0.00 0.00 41.25 39.21 1iwp s ASN 122 CO -0.00 -1.80 1.89 -0.37 -2.94 0.00 0.00 177.10 173.88 1iwp h VAL 123 N -0.65 1.19 -0.32 3.54 -1.51 -1.98 -1.66 116.25 114.85 1iwp h VAL 123 Ca -0.42 -0.76 -0.02 0.00 -1.23 0.00 0.00 66.70 64.27 1iwp h VAL 123 Cb 1.28 1.00 -0.01 0.00 -2.13 0.00 0.00 31.29 31.43 1iwp h VAL 123 CO 0.49 0.25 0.12 0.58 -1.23 0.00 0.00 177.57 177.78 1iwp h VAL 124 N 0.43 1.19 -0.68 7.19 2.07 -1.99 -0.36 116.25 124.10 1iwp h VAL 124 Ca 0.09 -0.60 -0.01 0.00 0.82 0.00 0.00 66.70 67.00 1iwp h VAL 124 Cb 0.33 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.06 1iwp h VAL 124 CO 0.01 0.21 0.39 -0.33 0.02 0.00 0.00 177.57 177.87 1iwp h GLU 125 N 0.36 0.93 -0.62 1.57 5.08 -1.88 0.03 114.58 120.05 1iwp h GLU 125 Ca 0.10 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 1iwp h GLU 125 Cb 0.21 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 1iwp h GLU 125 CO -0.01 0.68 0.23 0.52 -1.00 0.00 0.00 179.01 179.44 1iwp h MET 126 N 0.93 0.91 -0.23 2.33 2.86 -0.97 0.94 114.93 121.69 1iwp h MET 126 Ca 0.24 -0.15 -0.18 0.00 -2.06 0.00 0.00 59.70 57.55 1iwp h MET 126 Cb 0.00 -0.15 -0.00 0.00 0.06 0.00 0.00 31.60 31.51 1iwp h MET 126 CO -0.04 0.75 -0.58 0.52 1.06 0.00 0.00 176.91 178.62 1iwp h MET 127 N 0.89 0.75 -0.59 1.72 2.86 -0.62 0.27 114.93 120.21 1iwp h MET 127 Ca 0.21 -0.49 0.02 0.00 -2.06 0.00 0.00 59.70 57.38 1iwp h MET 127 Cb 0.20 0.06 -0.04 0.00 0.06 0.00 0.00 31.60 31.88 1iwp h MET 127 CO -0.02 1.12 0.37 1.98 1.06 0.00 0.00 176.91 181.42 1iwp h MET 128 N 0.57 0.71 -0.24 1.72 -1.53 -0.50 -1.70 114.93 113.94 1iwp h MET 128 Ca 0.00 -0.04 -0.15 0.00 -3.44 0.00 0.00 59.70 56.07 1iwp h MET 128 Cb 1.17 -0.16 0.00 0.00 -0.55 0.00 0.00 31.60 32.06 1iwp h MET 128 CO 0.12 0.47 -0.44 0.00 0.14 0.00 0.00 176.91 177.20 1iwp h ALA 129 N 1.25 0.38 -0.67 0.39 0.00 -0.67 -3.25 119.26 116.69 1iwp h ALA 129 Ca 0.23 -0.47 0.02 0.00 0.00 0.00 0.00 54.91 54.69 1iwp h ALA 129 Cb 0.00 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1iwp h ALA 129 CO -0.09 0.52 0.45 1.25 0.00 0.00 0.00 179.25 181.38 1iwp h LEU 130 N 0.46 0.75 -1.42 0.00 5.85 -0.07 0.56 115.31 121.44 1iwp h LEU 130 Ca 0.01 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 1iwp h LEU 130 Cb 1.05 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.89 1iwp h LEU 130 CO 0.10 0.53 -0.17 0.06 -0.34 0.00 0.00 178.44 178.62 1iwp h GLN 131 N 0.88 0.00 0.14 1.25 3.07 -1.36 -1.42 115.11 117.67 1iwp h GLN 131 Ca 0.26 0.00 -0.36 0.00 0.09 0.00 0.00 58.65 58.64 1iwp h GLN 131 Cb -0.05 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.51 1iwp h GLN 131 CO -0.06 0.17 -1.88 -0.22 0.09 0.00 0.00 178.83 176.93 1iwp h LYS 132 N 0.00 0.30 0.00 0.06 3.64 -1.31 -3.37 116.57 115.89 1iwp h LYS 132 Ca -0.00 -0.52 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 1iwp h LYS 132 Cb 0.59 0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.60 1iwp h LYS 132 CO 0.02 1.22 0.00 0.52 -2.27 0.00 0.00 179.45 178.94 1iwp h MET 133 N 0.08 0.00 -6.42 1.90 2.86 -0.83 -3.43 114.93 109.09 1iwp h MET 133 Ca -0.38 0.00 -0.62 0.00 -2.06 0.00 0.00 59.70 56.63 1iwp h MET 133 Cb 2.06 0.00 0.07 0.00 0.06 0.00 0.00 31.60 33.79 1iwp h MET 133 CO 0.12 0.00 0.50 -2.13 1.06 0.00 0.00 176.91 176.46 1iwp n ARG 134 N -2.82 1.58 0.21 1.72 0.63 -0.55 -4.61 116.66 112.83 1iwp n ARG 134 Ca 0.03 0.57 -0.12 0.00 -0.92 0.00 0.00 57.85 57.41 1iwp n ARG 134 Cb 0.43 -2.19 -0.07 0.00 0.45 0.00 0.00 32.46 31.08 1iwp n ARG 134 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1iwp h ALA 135 N 4.30 -0.58 -2.71 5.13 0.00 -1.88 -3.41 119.26 120.11 1iwp h ALA 135 Ca -0.45 -0.18 -0.50 0.00 0.00 0.00 0.00 54.91 53.78 1iwp h ALA 135 Cb 1.31 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 19.30 1iwp h ALA 135 CO 0.77 -0.61 0.34 0.50 0.00 0.00 0.00 179.25 180.24 1iwp s ARG 136 N -4.19 4.81 0.11 0.00 3.52 -1.26 -1.98 118.95 119.95 1iwp s ARG 136 Ca -0.12 1.46 -0.21 0.00 -0.13 0.00 0.00 55.73 56.72 1iwp s ARG 136 Cb 0.01 -3.30 -0.09 0.00 -1.56 0.00 0.00 34.95 30.02 1iwp s ARG 136 CO 0.43 0.46 1.73 -0.09 -0.81 0.00 0.00 175.30 177.02 1iwp h ARG 137 N 4.47 0.04 -5.04 5.12 9.65 -0.43 -3.41 114.38 124.77 1iwp h ARG 137 Ca -0.45 -0.00 -0.65 0.00 -1.10 0.00 0.00 59.98 57.78 1iwp h ARG 137 Cb 1.20 -0.01 -0.16 0.00 -1.39 0.00 0.00 29.97 29.61 1iwp h ARG 137 CO 0.69 0.02 -0.26 0.99 2.80 0.00 0.00 179.97 184.21 1iwp s THR 138 N -6.19 5.16 0.64 0.20 2.01 -1.26 -4.54 115.64 111.66 1iwp s THR 138 Ca -0.13 0.25 -0.17 0.00 0.31 0.00 0.00 61.69 61.94 1iwp s THR 138 Cb 0.08 -3.78 -0.01 0.00 0.01 0.00 0.00 72.50 68.80 1iwp s THR 138 CO 0.67 -0.01 1.19 -2.16 -0.69 0.00 0.00 174.62 173.63 1iwp s PRO 139 N 2.06 2.69 0.00 4.92 0.04 -1.26 -4.88 135.00 138.57 1iwp s PRO 139 Ca 0.13 1.75 0.00 0.00 0.04 0.00 0.00 61.00 62.92 1iwp s PRO 139 Cb -0.16 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.48 1iwp s PRO 139 CO 0.11 -1.40 0.00 0.45 0.04 0.00 0.00 177.00 176.20 1iwp n SER 140 N -2.05 1.40 -3.70 6.66 2.88 0.82 -4.71 113.62 114.92 1iwp n SER 140 Ca 0.13 -0.32 -0.14 0.00 -1.33 0.00 0.00 58.87 57.21 1iwp n SER 140 Cb 0.50 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.87 1iwp n SER 140 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 1iwp s ASN 141 N 0.36 -0.44 0.02 -3.46 3.04 -1.26 -1.56 114.94 111.64 1iwp s ASN 141 Ca 0.00 0.74 0.08 0.00 0.04 0.00 0.00 52.86 53.72 1iwp s ASN 141 Cb 0.00 0.77 -0.02 0.00 -1.54 0.00 0.00 41.25 40.46 1iwp s ASN 141 CO 0.00 -0.27 -0.25 -1.58 -3.04 0.00 0.00 177.10 171.96 1iwp s GLN 142 N -0.23 1.84 0.30 0.43 0.74 0.30 -1.49 119.66 121.55 1iwp s GLN 142 Ca -0.04 -0.99 0.05 0.00 0.05 0.00 0.00 55.36 54.43 1iwp s GLN 142 Cb -0.03 -1.90 -0.06 0.00 1.10 0.00 0.00 33.01 32.11 1iwp s GLN 142 CO 0.02 0.50 0.01 0.00 -0.55 0.00 0.00 175.29 175.28 1iwp s HIS 144 N -3.18 3.45 -0.31 0.00 3.76 0.17 -0.15 115.29 119.03 1iwp s HIS 144 Ca 0.33 0.39 -0.02 0.00 -0.15 0.00 0.00 55.06 55.62 1iwp s HIS 144 Cb 0.07 -1.87 0.11 0.00 1.11 0.00 0.00 32.58 32.00 1iwp s HIS 144 CO 0.14 0.64 0.13 0.08 -0.85 0.00 0.00 174.74 174.88 1iwp s VAL 145 N -1.05 0.46 0.32 -0.90 1.01 0.11 -1.41 120.40 118.94 1iwp s VAL 145 Ca 0.17 -1.24 -0.04 0.00 0.00 0.00 0.00 61.98 60.87 1iwp s VAL 145 Cb -0.12 -1.36 -0.00 0.00 0.00 0.00 0.00 36.38 34.90 1iwp s VAL 145 CO 0.06 -0.74 0.46 0.42 0.00 0.00 0.00 175.10 175.30 1iwp s THR 146 N 1.68 0.00 -0.21 3.92 -4.23 -1.26 -4.29 115.64 111.25 1iwp s THR 146 Ca 0.11 -1.60 -0.27 0.00 -1.18 0.00 0.00 61.69 58.75 1iwp s THR 146 Cb -0.18 -2.58 0.10 0.00 1.34 0.00 0.00 72.50 71.19 1iwp s THR 146 CO -0.26 0.00 0.89 0.54 -0.54 0.00 0.00 174.62 175.25 1iwp s ASN 147 N -3.21 -0.54 0.56 3.99 2.20 -0.97 -4.63 114.94 112.34 1iwp s ASN 147 Ca 0.30 0.86 0.42 0.00 -0.94 0.00 0.00 52.86 53.51 1iwp s ASN 147 Cb -0.00 0.81 1.59 0.00 -2.00 0.00 0.00 41.25 41.66 1iwp s ASN 147 CO 0.18 -0.30 1.66 0.25 -2.94 0.00 0.00 177.10 175.95 1iwp h LEU 148 N 3.78 0.00 -1.81 3.54 7.12 -1.80 0.26 115.31 126.39 1iwp h LEU 148 Ca -0.26 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.75 1iwp h LEU 148 Cb 1.16 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.29 1iwp h LEU 148 CO 0.19 0.00 -0.04 0.29 -0.13 0.00 0.00 178.44 178.75 1iwp n LYS 149 N -3.96 2.21 -3.32 1.25 4.76 -1.26 -4.85 118.16 112.98 1iwp n LYS 149 Ca 0.34 -1.81 -0.24 0.00 -2.87 0.00 0.00 58.31 53.73 1iwp n LYS 149 Cb 1.63 -1.46 0.03 0.00 -1.84 0.00 0.00 35.03 33.39 1iwp n LYS 149 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1iwp n ASP 150 N 1.18 -5.47 -4.63 4.39 8.00 0.08 -4.88 116.55 115.23 1iwp n ASP 150 Ca 0.14 -0.42 -0.43 0.00 0.71 0.00 0.00 54.79 54.79 1iwp n ASP 150 Cb 0.58 -4.41 -0.02 0.00 -0.02 0.00 0.00 41.12 37.25 1iwp n ASP 150 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1iwp s ASN 151 N -2.90 6.61 0.24 -2.24 3.84 -1.26 -4.86 114.94 114.37 1iwp s ASN 151 Ca 0.43 1.21 -0.05 0.00 0.21 0.00 0.00 52.86 54.65 1iwp s ASN 151 Cb -0.20 -2.54 0.36 0.00 -0.55 0.00 0.00 41.25 38.32 1iwp s ASN 151 CO 0.53 -1.14 1.81 -0.65 -2.79 0.00 0.00 177.10 174.86 1iwp h PRO 152 N 9.59 0.75 -0.38 0.43 0.11 -1.89 -1.18 132.00 139.43 1iwp h PRO 152 Ca -0.27 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.78 1iwp h PRO 152 Cb 1.10 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.03 1iwp h PRO 152 CO 1.04 0.49 0.19 0.28 -0.21 0.00 0.00 178.00 179.79 1iwp h VAL 153 N 0.77 1.16 -0.44 3.15 2.07 -1.93 -0.69 116.25 120.34 1iwp h VAL 153 Ca 0.38 -0.44 -0.08 0.00 0.82 0.00 0.00 66.70 67.38 1iwp h VAL 153 Cb 0.32 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 1iwp h VAL 153 CO -0.23 0.17 -0.03 -0.61 0.02 0.00 0.00 177.57 176.88 1iwp h GLN 154 N 0.48 0.79 0.10 1.57 4.15 -1.82 -1.86 115.11 118.52 1iwp h GLN 154 Ca 0.13 -0.27 0.00 0.00 0.77 0.00 0.00 58.65 59.29 1iwp h GLN 154 Cb 0.09 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.71 1iwp h GLN 154 CO -0.02 0.87 -0.10 0.82 -1.93 0.00 0.00 178.83 178.47 1iwp h ILE 155 N 0.63 0.77 -0.49 2.39 2.04 -1.05 0.72 117.51 122.52 1iwp h ILE 155 Ca 0.12 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.04 1iwp h ILE 155 Cb 0.53 0.77 -0.05 0.00 -0.74 0.00 0.00 36.82 37.33 1iwp h ILE 155 CO 0.03 0.00 0.19 0.00 0.00 0.00 0.00 178.15 178.36 1iwp h ALA 156 N 0.66 0.60 0.17 1.87 0.00 -1.08 0.33 119.26 121.81 1iwp h ALA 156 Ca 0.00 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1iwp h ALA 156 Cb 0.21 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1iwp h ALA 156 CO -0.03 -0.20 -0.08 0.00 0.00 0.00 0.00 179.25 178.94 1iwp h ALA 157 N 1.31 -0.23 -0.92 0.00 0.00 -0.80 -1.51 119.26 117.12 1iwp h ALA 157 Ca 0.23 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.09 1iwp h ALA 157 Cb 0.23 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 1iwp h ALA 157 CO -0.22 -0.56 0.59 -0.44 0.00 0.00 0.00 179.25 178.61 1iwp h ASP 158 N -0.36 0.95 -0.83 0.00 3.32 0.86 -1.86 116.42 118.50 1iwp h ASP 158 Ca -0.02 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.99 1iwp h ASP 158 Cb 0.28 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.59 1iwp h ASP 158 CO 0.04 0.63 0.38 0.00 -1.72 0.00 0.00 179.24 178.57 1iwp h ALA 159 N 1.40 1.10 -0.18 3.45 0.00 -0.17 0.13 119.26 124.99 1iwp h ALA 159 Ca 0.38 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1iwp h ALA 159 Cb 0.09 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1iwp h ALA 159 CO -0.15 0.67 0.08 0.00 0.00 0.00 0.00 179.25 179.85 1iwp h ALA 160 N 1.22 0.24 -0.20 0.00 0.00 -0.56 0.86 119.26 120.82 1iwp h ALA 160 Ca 0.28 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1iwp h ALA 160 Cb 0.15 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1iwp h ALA 160 CO -0.03 -0.19 0.08 1.49 0.00 0.00 0.00 179.25 180.60 1iwp h GLU 161 N 0.16 0.30 -0.56 0.00 4.81 -1.11 -1.49 114.58 116.68 1iwp h GLU 161 Ca 0.06 -0.05 0.10 0.00 -0.13 0.00 0.00 59.36 59.34 1iwp h GLU 161 Cb 0.14 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.44 1iwp h GLU 161 CO -0.01 0.36 0.38 0.00 -0.73 0.00 0.00 179.01 179.01 1iwp h ALA 162 N 0.93 2.08 -0.26 2.92 0.00 -0.61 -0.90 119.26 123.42 1iwp h ALA 162 Ca 0.07 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1iwp h ALA 162 Cb 0.17 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1iwp h ALA 162 CO -0.01 -0.21 -0.02 0.78 0.00 0.00 0.00 179.25 179.80 1iwp h GLY 163 N 0.34 0.50 2.00 0.00 0.00 0.19 -2.96 103.07 103.14 1iwp h GLY 163 Ca 0.26 -0.38 -0.12 0.00 0.00 0.00 0.00 47.33 47.09 1iwp h GLY 163 CO -0.06 0.35 -0.58 0.16 0.00 0.00 0.00 176.54 176.41 1iwp h ILE 164 N 0.24 1.21 0.00 2.60 3.07 -0.79 -2.65 117.51 121.19 1iwp h ILE 164 Ca 0.07 -2.13 -0.00 0.00 1.55 0.00 0.00 64.86 64.35 1iwp h ILE 164 Cb 0.45 2.22 -0.00 0.00 -0.27 0.00 0.00 36.82 39.21 1iwp h ILE 164 CO 0.02 0.57 -0.02 0.03 -1.05 0.00 0.00 178.15 177.70 1iwp h ARG 165 N 0.00 0.00 0.00 0.16 3.08 -1.11 -3.45 114.38 113.06 1iwp h ARG 165 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1iwp h ARG 165 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.22 1iwp h ARG 165 CO 0.08 0.02 0.00 0.41 -1.07 0.00 0.00 179.97 179.40 1iwp n GLY 166 N -0.63 1.29 3.75 0.04 0.00 -1.00 -0.25 105.19 108.40 1iwp n GLY 166 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 1iwp n GLY 166 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1iwp s PHE 167 N -1.84 2.77 -0.34 1.61 0.08 -1.13 -4.79 117.98 114.33 1iwp s PHE 167 Ca 0.00 0.76 0.23 0.00 0.12 0.00 0.00 56.93 58.04 1iwp s PHE 167 Cb 0.00 -4.07 0.04 0.00 -0.57 0.00 0.00 43.02 38.43 1iwp s PHE 167 CO 0.00 -3.61 1.05 -1.13 -0.10 0.00 0.00 175.22 171.43 1iwp n SER 168 N 2.30 0.74 -4.00 1.36 3.41 -0.55 -4.75 113.62 112.13 1iwp n SER 168 Ca 0.09 0.20 -0.14 0.00 -0.26 0.00 0.00 58.87 58.75 1iwp n SER 168 Cb 0.37 0.54 -0.13 0.00 -0.26 0.00 0.00 64.21 64.73 1iwp n SER 168 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1iwp s GLU 169 N -3.32 0.45 -0.00 4.33 2.02 -1.19 -1.33 118.70 119.66 1iwp s GLU 169 Ca 0.01 -0.44 0.02 0.00 0.02 0.00 0.00 54.97 54.58 1iwp s GLU 169 Cb 0.11 -0.33 -0.01 0.00 0.10 0.00 0.00 34.13 34.01 1iwp s GLU 169 CO 0.79 0.08 -0.08 -0.65 0.02 0.00 0.00 175.26 175.41 1iwp s GLN 170 N -0.79 0.64 -0.01 1.61 -0.21 0.54 -1.16 119.66 120.28 1iwp s GLN 170 Ca -0.04 -0.33 0.04 0.00 0.02 0.00 0.00 55.36 55.06 1iwp s GLN 170 Cb -0.06 -0.61 -0.01 0.00 1.00 0.00 0.00 33.01 33.34 1iwp s GLN 170 CO 0.00 0.16 -0.13 -2.00 -2.12 0.00 0.00 175.29 171.20 1iwp s GLU 171 N -0.31 1.06 0.28 2.91 2.12 0.79 -1.36 118.70 124.19 1iwp s GLU 171 Ca 0.02 -0.50 0.03 0.00 0.36 0.00 0.00 54.97 54.88 1iwp s GLU 171 Cb -0.04 -1.02 -0.06 0.00 0.26 0.00 0.00 34.13 33.27 1iwp s GLU 171 CO -0.00 0.28 0.06 -0.08 -0.54 0.00 0.00 175.26 174.98 1iwp s THR 172 N -0.36 0.89 0.29 -1.70 -1.32 -0.52 0.07 115.64 112.98 1iwp s THR 172 Ca 0.05 -2.01 -0.20 0.00 -1.21 0.00 0.00 61.69 58.32 1iwp s THR 172 Cb -0.05 -2.65 0.05 0.00 -1.51 0.00 0.00 72.50 68.34 1iwp s THR 172 CO -0.00 -0.06 0.82 0.28 -2.21 0.00 0.00 174.62 173.45 1iwp s THR 173 N -3.52 0.00 0.12 5.08 -1.32 -1.26 -0.86 115.64 113.88 1iwp s THR 173 Ca 0.36 -0.90 0.09 0.00 -1.21 0.00 0.00 61.69 60.03 1iwp s THR 173 Cb 0.08 -2.43 -0.04 0.00 -1.51 0.00 0.00 72.50 68.60 1iwp s THR 173 CO 0.13 0.00 -0.23 0.68 -2.21 0.00 0.00 174.62 173.00 1iwp s VAL 174 N -3.02 1.96 0.05 5.08 -7.23 -1.26 -4.87 120.40 111.11 1iwp s VAL 174 Ca 0.14 -1.69 0.02 0.00 -1.81 0.00 0.00 61.98 58.64 1iwp s VAL 174 Cb -0.05 -1.78 -0.25 0.00 0.56 0.00 0.00 36.38 34.86 1iwp s VAL 174 CO 0.08 -0.04 1.02 1.23 -0.31 0.00 0.00 175.10 177.08 1iwp h GLY 175 N 3.86 0.16 -7.60 2.32 0.00 -1.90 -3.41 103.07 96.50 1iwp h GLY 175 Ca -0.47 -0.42 -0.68 0.00 0.00 0.00 0.00 47.33 45.76 1iwp h GLY 175 CO 0.41 0.37 -0.73 -0.42 0.00 0.00 0.00 176.54 176.17 1iwp s ILE 176 N -2.65 2.80 0.13 2.60 1.01 -1.26 -5.03 121.20 118.80 1iwp s ILE 176 Ca -0.04 -1.33 -0.26 0.00 0.00 0.00 0.00 60.65 59.01 1iwp s ILE 176 Cb 0.08 -2.56 -0.06 0.00 0.01 0.00 0.00 42.46 39.93 1iwp s ILE 176 CO 0.85 -0.01 1.40 0.00 0.00 0.00 0.00 174.94 177.18 1iwp n ALA 177 N 4.60 -0.54 -0.01 9.38 0.00 -1.26 -1.04 120.51 131.65 1iwp n ALA 177 Ca -0.14 0.72 0.20 0.00 0.00 0.00 0.00 53.44 54.22 1iwp n ALA 177 Cb 0.44 -0.07 0.46 0.00 0.00 0.00 0.00 19.45 20.29 1iwp n ALA 177 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iwp h ARG 178 N 0.00 0.00 0.00 0.00 3.08 -1.98 0.44 114.38 115.92 1iwp h ARG 178 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.18 1iwp h ARG 178 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.40 1iwp h ARG 178 CO -0.79 0.00 0.00 1.88 -1.07 0.00 0.00 179.97 179.99 1iwp h TYR 179 N 0.00 0.00 -0.75 3.04 0.05 -1.49 -3.38 116.97 114.44 1iwp h TYR 179 Ca 0.30 0.00 0.12 0.00 0.05 0.00 0.00 58.73 59.20 1iwp h TYR 179 Cb 2.18 0.00 -0.13 0.00 1.01 0.00 0.00 36.73 39.79 1iwp h TYR 179 CO 0.00 0.00 -0.27 0.00 -1.05 0.00 0.00 178.16 176.84 1iwp n ALA 180 N -1.97 -0.04 -0.27 3.88 0.00 0.16 -0.90 120.51 121.36 1iwp n ALA 180 Ca 0.04 0.76 0.02 0.00 0.00 0.00 0.00 53.44 54.26 1iwp n ALA 180 Cb 0.43 -0.37 0.15 0.00 0.00 0.00 0.00 19.45 19.66 1iwp n ALA 180 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1iwp h PRO 181 N 0.00 0.73 -0.29 0.00 0.11 -1.83 -0.13 132.00 130.59 1iwp h PRO 181 Ca 0.28 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 66.21 1iwp h PRO 181 Cb 0.47 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.40 1iwp h PRO 181 CO -0.75 0.48 -0.36 0.74 -0.21 0.00 0.00 178.00 177.90 1iwp h PHE 182 N 0.75 0.78 -0.15 0.65 0.04 -1.32 0.01 116.94 117.69 1iwp h PHE 182 Ca 0.37 -0.22 -0.01 0.00 2.80 0.00 0.00 57.97 60.92 1iwp h PHE 182 Cb 0.32 -0.17 -0.01 0.00 2.20 0.00 0.00 35.95 38.29 1iwp h PHE 182 CO -0.07 0.93 0.07 -0.91 -0.60 0.00 0.00 178.31 177.73 1iwp h ASN 183 N 0.55 0.20 -0.32 2.17 2.35 -0.82 0.52 115.58 120.24 1iwp h ASN 183 Ca 0.05 -0.14 -0.02 0.00 -0.55 0.00 0.00 56.30 55.65 1iwp h ASN 183 Cb 0.88 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 39.18 1iwp h ASN 183 CO 0.08 0.28 0.13 0.00 -1.65 0.00 0.00 177.43 176.27 1iwp h ALA 184 N 0.92 0.41 0.20 -0.83 0.00 -0.98 0.17 119.26 119.16 1iwp h ALA 184 Ca 0.05 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1iwp h ALA 184 Cb 0.14 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1iwp h ALA 184 CO -0.01 -0.00 -0.17 1.25 0.00 0.00 0.00 179.25 180.32 1iwp h LEU 185 N 0.37 -0.46 -0.39 0.00 5.85 -0.76 0.11 115.31 120.03 1iwp h LEU 185 Ca 0.11 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.87 1iwp h LEU 185 Cb 0.17 0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 1iwp h LEU 185 CO -0.01 -0.27 0.25 0.00 -0.34 0.00 0.00 178.44 178.07 1iwp h ALA 186 N 0.36 0.49 -0.76 1.25 0.00 0.17 -1.06 119.26 119.71 1iwp h ALA 186 Ca -0.01 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.89 1iwp h ALA 186 Cb 0.36 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1iwp h ALA 186 CO -0.02 -0.04 0.49 1.25 0.00 0.00 0.00 179.25 180.92 1iwp h LEU 187 N 0.52 0.83 -0.37 0.00 5.85 -0.48 0.59 115.31 122.25 1iwp h LEU 187 Ca 0.14 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.87 1iwp h LEU 187 Cb -0.05 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.76 1iwp h LEU 187 CO -0.03 0.59 0.21 0.25 -0.34 0.00 0.00 178.44 179.12 1iwp h LEU 188 N 0.98 0.32 0.14 2.25 5.85 -0.17 0.59 115.31 125.28 1iwp h LEU 188 Ca 0.29 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 59.01 1iwp h LEU 188 Cb -0.06 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 40.92 1iwp h LEU 188 CO -0.08 0.23 -0.07 0.58 -0.34 0.00 0.00 178.44 178.76 1iwp h VAL 189 N 0.42 1.01 -0.99 1.05 2.07 -0.67 -3.10 116.25 116.04 1iwp h VAL 189 Ca 0.15 -0.79 0.06 0.00 0.82 0.00 0.00 66.70 66.93 1iwp h VAL 189 Cb 0.03 1.49 -0.06 0.00 -1.52 0.00 0.00 31.29 31.22 1iwp h VAL 189 CO -0.08 0.18 0.64 1.23 0.02 0.00 0.00 177.57 179.56 1iwp h GLY 190 N -0.58 1.49 1.01 2.17 0.00 -0.80 -2.56 103.07 103.79 1iwp h GLY 190 Ca -0.02 -0.48 0.01 0.00 0.00 0.00 0.00 47.33 46.84 1iwp h GLY 190 CO 0.03 0.36 0.44 1.48 0.00 0.00 0.00 176.54 178.85 1iwp h SER 191 N 1.19 0.77 0.76 0.19 4.64 -0.91 -1.61 113.55 118.58 1iwp h SER 191 Ca 0.42 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 1iwp h SER 191 Cb 0.11 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 1iwp h SER 191 CO -0.16 0.56 0.00 0.00 -0.87 0.00 0.00 176.83 176.36 1iwp n GLN 192 N -4.62 0.03 0.06 4.77 1.13 -1.01 -1.67 117.38 116.07 1iwp n GLN 192 Ca 0.06 0.11 -0.21 0.00 -1.94 0.00 0.00 57.00 55.01 1iwp n GLN 192 Cb 0.02 -1.50 -0.15 0.00 0.11 0.00 0.00 30.24 28.72 1iwp n GLN 192 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1iwp h GLY 194 N 0.97 -0.12 -6.49 0.00 0.00 -1.17 -3.45 103.07 92.81 1iwp h GLY 194 Ca -0.34 0.04 -0.18 0.00 0.00 0.00 0.00 47.33 46.86 1iwp h GLY 194 CO 0.16 -0.04 -0.50 -1.60 0.00 0.00 0.00 176.54 174.55 1iwp s ARG 195 N -3.41 0.31 -0.02 4.80 3.00 -0.67 -3.99 118.95 118.97 1iwp s ARG 195 Ca -0.14 0.50 -0.34 0.00 -1.00 0.00 0.00 55.73 54.75 1iwp s ARG 195 Cb 0.00 -0.56 -0.13 0.00 0.00 0.00 0.00 34.95 34.26 1iwp s ARG 195 CO 0.56 -0.62 1.78 -2.30 0.00 0.00 0.00 175.30 174.72 1iwp n PRO 196 N 5.36 2.13 0.00 5.12 -0.02 -1.26 -2.00 135.00 144.33 1iwp n PRO 196 Ca -0.04 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 1iwp n PRO 196 Cb 0.50 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.38 1iwp n PRO 196 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1iwp n GLY 197 N 4.08 1.74 3.72 -1.23 0.00 -1.26 -3.86 105.19 108.38 1iwp n GLY 197 Ca 0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 1iwp n GLY 197 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1iwp n VAL 198 N -0.63 0.68 -3.18 1.61 0.31 -0.85 -4.38 118.33 111.90 1iwp n VAL 198 Ca 0.00 -0.17 -0.33 0.00 -0.01 0.00 0.00 64.34 63.83 1iwp n VAL 198 Cb 0.00 -1.84 -0.06 0.00 -0.91 0.00 0.00 33.84 31.03 1iwp n VAL 198 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1iwp s LEU 199 N 0.14 4.12 -0.01 7.52 1.43 -0.44 -4.81 118.68 126.62 1iwp s LEU 199 Ca 0.69 1.24 -0.02 0.00 -1.03 0.00 0.00 54.13 55.01 1iwp s LEU 199 Cb -0.54 -3.95 -0.00 0.00 0.03 0.00 0.00 46.19 41.73 1iwp s LEU 199 CO 0.44 -0.15 0.03 0.42 0.23 0.00 0.00 176.35 177.32 1iwp s THR 200 N -1.89 0.03 0.11 5.49 -4.23 -1.26 -0.34 115.64 113.55 1iwp s THR 200 Ca 0.51 -0.25 0.02 0.00 -1.18 0.00 0.00 61.69 60.80 1iwp s THR 200 Cb -0.11 -0.13 -0.04 0.00 1.34 0.00 0.00 72.50 73.55 1iwp s THR 200 CO 0.18 -0.13 -0.07 0.00 -0.54 0.00 0.00 174.62 174.06 1iwp s GLN 201 N -0.40 0.88 -0.32 3.99 -2.07 -0.46 -0.91 119.66 120.37 1iwp s GLN 201 Ca -0.04 -1.36 -0.01 0.00 -1.82 0.00 0.00 55.36 52.13 1iwp s GLN 201 Cb -0.03 -0.29 0.10 0.00 -1.09 0.00 0.00 33.01 31.70 1iwp s GLN 201 CO -0.00 0.00 0.12 0.00 -1.32 0.00 0.00 175.29 174.09 1iwp s SER 203 N 1.61 5.66 0.00 0.00 0.01 -0.04 -4.83 113.70 116.11 1iwp s SER 203 Ca 0.11 -0.27 0.00 0.00 1.31 0.00 0.00 55.95 57.09 1iwp s SER 203 Cb -0.18 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.50 1iwp s SER 203 CO -0.25 -2.18 0.00 1.33 0.41 0.00 0.00 173.24 172.55 1iwp n VAL 204 N 7.04 0.00 -1.65 3.43 0.24 -1.26 -4.65 118.33 121.48 1iwp n VAL 204 Ca 0.20 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 62.07 1iwp n VAL 204 Cb 0.50 0.00 -0.01 0.00 -1.47 0.00 0.00 33.84 32.86 1iwp n VAL 204 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 1iwp n GLU 205 N 0.00 1.77 -0.12 7.34 0.00 -1.26 -4.62 120.64 123.76 1iwp n GLU 205 Ca 0.00 0.62 -0.07 0.00 0.00 0.00 0.00 57.16 57.71 1iwp n GLU 205 Cb 0.00 -2.11 -0.05 0.00 0.00 0.00 0.00 31.44 29.28 1iwp n GLU 205 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 1iwp h GLU 206 N 2.28 -0.13 -0.86 5.31 4.39 -1.97 0.14 114.58 123.74 1iwp h GLU 206 Ca -0.43 0.01 0.09 0.00 0.34 0.00 0.00 59.36 59.37 1iwp h GLU 206 Cb 1.31 0.03 -0.07 0.00 -0.10 0.00 0.00 28.75 29.92 1iwp h GLU 206 CO 0.61 -0.09 0.51 0.00 -1.16 0.00 0.00 179.01 178.89 1iwp h ALA 207 N -0.51 1.23 -0.94 3.43 0.00 -2.00 -0.99 119.26 119.49 1iwp h ALA 207 Ca 0.05 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.00 1iwp h ALA 207 Cb 0.28 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 1iwp h ALA 207 CO -0.37 0.16 0.62 1.15 0.00 0.00 0.00 179.25 180.81 1iwp h THR 208 N 0.86 1.21 -0.14 0.00 2.02 -1.67 -2.02 112.91 113.16 1iwp h THR 208 Ca 0.41 -0.42 -0.06 0.00 0.77 0.00 0.00 66.41 67.11 1iwp h THR 208 Cb 0.35 -0.14 -0.00 0.00 -1.74 0.00 0.00 68.15 66.62 1iwp h THR 208 CO -0.24 0.23 -0.13 -0.08 0.37 0.00 0.00 175.52 175.67 1iwp h GLU 209 N 1.24 0.34 -0.99 6.66 4.81 0.51 -2.56 114.58 124.59 1iwp h GLU 209 Ca 0.35 -0.18 0.10 0.00 -0.13 0.00 0.00 59.36 59.51 1iwp h GLU 209 Cb -0.09 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 29.22 1iwp h GLU 209 CO -0.09 0.72 0.63 1.25 -0.73 0.00 0.00 179.01 180.79 1iwp h LEU 210 N -0.03 0.95 -0.81 1.64 5.85 -1.14 0.10 115.31 121.87 1iwp h LEU 210 Ca 0.02 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.72 1iwp h LEU 210 Cb 0.65 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 1iwp h LEU 210 CO 0.03 0.55 0.23 -0.08 -0.34 0.00 0.00 178.44 178.83 1iwp h GLU 211 N 1.04 1.12 -0.53 1.25 4.81 -1.28 0.42 114.58 121.40 1iwp h GLU 211 Ca 0.46 -0.23 -0.06 0.00 -0.13 0.00 0.00 59.36 59.40 1iwp h GLU 211 Cb 0.37 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 1iwp h GLU 211 CO -0.22 0.95 0.11 -0.07 -0.73 0.00 0.00 179.01 179.05 1iwp h LEU 212 N 1.07 0.78 -0.16 1.64 3.38 -0.55 -1.03 115.31 120.44 1iwp h LEU 212 Ca 0.24 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 1iwp h LEU 212 Cb 0.29 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 1iwp h LEU 212 CO -0.01 0.78 -0.13 1.23 0.09 0.00 0.00 178.44 180.40 1iwp h GLY 213 N 0.97 0.41 1.95 0.83 0.00 0.07 -1.31 103.07 105.99 1iwp h GLY 213 Ca 0.17 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 47.10 1iwp h GLY 213 CO 0.00 0.37 0.02 -0.33 0.00 0.00 0.00 176.54 176.60 1iwp h MET 214 N 0.03 0.03 -0.19 4.80 2.86 0.09 0.44 114.93 122.98 1iwp h MET 214 Ca 0.03 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1iwp h MET 214 Cb 0.65 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.30 1iwp h MET 214 CO 0.03 0.02 0.00 0.54 1.06 0.00 0.00 176.91 178.56 1iwp n ARG 215 N -4.53 1.61 -2.96 1.72 1.74 -0.42 -4.93 116.66 108.89 1iwp n ARG 215 Ca -0.02 -0.94 -0.18 0.00 -0.77 0.00 0.00 57.85 55.94 1iwp n ARG 215 Cb 0.10 -1.31 0.04 0.00 -1.02 0.00 0.00 32.46 30.26 1iwp n ARG 215 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1iwp n GLY 216 N 1.02 -0.29 0.94 -0.13 0.00 0.15 -0.59 105.19 106.29 1iwp n GLY 216 Ca 0.13 -0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.24 1iwp n GLY 216 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1iwp n LEU 217 N -3.46 2.99 -4.03 0.99 4.77 -0.52 -3.08 117.00 114.67 1iwp n LEU 217 Ca -0.08 -1.12 -0.10 0.00 -0.03 0.00 0.00 56.01 54.69 1iwp n LEU 217 Cb 0.59 -0.06 -0.08 0.00 -2.33 0.00 0.00 43.42 41.54 1iwp n LEU 217 CO 0.41 0.54 -0.12 0.42 -1.33 0.00 0.00 177.39 177.31 1iwp s THR 218 N -1.77 0.08 -0.62 -5.08 -4.23 -1.25 -4.25 115.64 98.53 1iwp s THR 218 Ca 0.29 -1.57 0.06 0.00 -1.18 0.00 0.00 61.69 59.28 1iwp s THR 218 Cb 0.19 -1.90 0.01 0.00 1.34 0.00 0.00 72.50 72.15 1iwp s THR 218 CO 0.28 -0.37 0.55 -1.54 -0.54 0.00 0.00 174.62 173.00 1iwp n SER 219 N -0.16 1.12 -3.68 3.99 3.41 -0.09 -4.87 113.62 113.34 1iwp n SER 219 Ca -0.07 -1.06 -0.01 0.00 -0.26 0.00 0.00 58.87 57.47 1iwp n SER 219 Cb 0.63 0.32 -0.01 0.00 -0.26 0.00 0.00 64.21 64.89 1iwp n SER 219 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1iwp s TYR 220 N -0.84 -0.09 0.05 7.33 1.13 -1.13 -3.90 117.35 119.89 1iwp s TYR 220 Ca 0.06 -0.11 0.03 0.00 -1.41 0.00 0.00 57.07 55.64 1iwp s TYR 220 Cb 0.05 0.59 -0.02 0.00 -1.10 0.00 0.00 41.96 41.48 1iwp s TYR 220 CO 0.13 -0.55 -0.10 0.00 -2.51 0.00 0.00 175.55 172.52 1iwp s ALA 221 N -2.85 0.80 0.00 9.51 0.00 -0.80 -4.20 121.76 124.23 1iwp s ALA 221 Ca 0.13 -0.79 0.00 0.00 0.00 0.00 0.00 51.96 51.30 1iwp s ALA 221 Cb 0.02 -0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.10 1iwp s ALA 221 CO -0.01 0.07 0.00 -1.91 0.00 0.00 0.00 175.76 173.91 1iwp n GLU 222 N 1.61 0.00 -0.57 0.00 2.13 -1.26 -1.87 120.64 120.68 1iwp n GLU 222 Ca -0.21 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.59 1iwp n GLU 222 Cb 0.55 -0.66 -0.04 0.00 0.27 0.00 0.00 31.44 31.57 1iwp n GLU 222 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1iwp n THR 223 N -2.02 2.06 -2.88 6.31 -2.24 -1.26 -3.10 114.28 111.15 1iwp n THR 223 Ca 0.00 -0.67 -0.43 0.00 -2.27 0.00 0.00 64.05 60.67 1iwp n THR 223 Cb 0.21 -1.58 -0.03 0.00 -2.10 0.00 0.00 70.33 66.84 1iwp n THR 223 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1iwp s VAL 224 N 0.38 4.50 0.40 2.28 1.01 -1.25 -4.83 120.40 122.88 1iwp s VAL 224 Ca 0.14 -0.94 -0.19 0.00 0.00 0.00 0.00 61.98 60.98 1iwp s VAL 224 Cb 0.07 -4.74 -0.10 0.00 0.00 0.00 0.00 36.38 31.61 1iwp s VAL 224 CO 0.00 -1.49 0.89 -0.94 0.00 0.00 0.00 175.10 173.56 1iwp s SER 225 N 3.72 6.89 0.05 3.32 1.04 -1.26 -1.38 113.70 126.09 1iwp s SER 225 Ca 0.27 1.58 0.02 0.00 0.48 0.00 0.00 55.95 58.31 1iwp s SER 225 Cb -0.11 -2.50 -0.03 0.00 0.10 0.00 0.00 66.02 63.49 1iwp s SER 225 CO 0.00 -0.32 -0.08 0.68 0.98 0.00 0.00 173.24 174.50 1iwp s VAL 226 N -2.13 0.60 0.20 5.02 -7.23 -1.02 -4.90 120.40 110.94 1iwp s VAL 226 Ca 0.60 -1.17 0.06 0.00 -1.81 0.00 0.00 61.98 59.65 1iwp s VAL 226 Cb -0.09 -0.74 -0.05 0.00 0.56 0.00 0.00 36.38 36.06 1iwp s VAL 226 CO 0.14 -0.41 -0.09 -0.31 -0.31 0.00 0.00 175.10 174.12 1iwp s TYR 227 N -1.56 1.55 -0.88 2.82 1.51 -1.26 -4.58 117.35 114.94 1iwp s TYR 227 Ca -0.08 -0.73 0.27 0.00 -1.01 0.00 0.00 57.07 55.52 1iwp s TYR 227 Cb -0.09 -0.80 0.89 0.00 -0.11 0.00 0.00 41.96 41.85 1iwp s TYR 227 CO 0.00 0.16 1.73 0.41 -1.11 0.00 0.00 175.55 176.74 1iwp n GLY 228 N -0.35 -1.50 3.18 0.71 0.00 -1.26 -4.67 105.19 101.29 1iwp n GLY 228 Ca -0.08 -0.14 -0.18 0.00 0.00 0.00 0.00 46.02 45.63 1iwp n GLY 228 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1iwp s THR 229 N -3.05 1.10 0.18 2.61 -4.23 -1.26 -4.92 115.64 106.08 1iwp s THR 229 Ca 0.12 -1.38 -0.13 0.00 -1.18 0.00 0.00 61.69 59.12 1iwp s THR 229 Cb 0.16 -1.14 0.08 0.00 1.34 0.00 0.00 72.50 72.94 1iwp s THR 229 CO 0.60 -0.28 1.81 -0.33 -0.54 0.00 0.00 174.62 175.88 1iwp h GLU 230 N 4.14 0.60 -0.63 3.99 5.08 -1.91 0.08 114.58 125.93 1iwp h GLU 230 Ca -0.40 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 57.93 1iwp h GLU 230 Cb 1.19 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 30.27 1iwp h GLU 230 CO 0.42 0.40 0.42 0.00 -1.00 0.00 0.00 179.01 179.25 1iwp h ALA 231 N 1.24 0.80 -0.32 3.43 0.00 -1.97 0.29 119.26 122.75 1iwp h ALA 231 Ca 0.22 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.92 1iwp h ALA 231 Cb 0.04 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1iwp h ALA 231 CO -0.10 0.22 -0.45 0.28 0.00 0.00 0.00 179.25 179.20 1iwp h VAL 232 N 0.85 1.28 -0.75 0.00 2.07 -1.74 -1.53 116.25 116.43 1iwp h VAL 232 Ca 0.23 -1.63 0.03 0.00 0.82 0.00 0.00 66.70 66.15 1iwp h VAL 232 Cb -0.09 1.51 -0.05 0.00 -1.52 0.00 0.00 31.29 31.15 1iwp h VAL 232 CO -0.06 0.53 0.48 0.15 0.02 0.00 0.00 177.57 178.70 1iwp h PHE 233 N 0.66 0.90 -0.29 1.57 3.04 -0.42 0.22 116.94 122.62 1iwp h PHE 233 Ca 0.04 0.02 -0.00 0.00 3.98 0.00 0.00 57.97 62.01 1iwp h PHE 233 Cb 1.03 -0.30 -0.01 0.00 2.56 0.00 0.00 35.95 39.23 1iwp h PHE 233 CO 0.06 0.52 0.17 1.15 -2.02 0.00 0.00 178.31 178.19 1iwp h THR 234 N 0.94 1.11 0.00 4.41 2.02 -0.09 0.18 112.91 121.47 1iwp h THR 234 Ca 0.30 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 67.23 1iwp h THR 234 Cb -0.00 0.75 0.00 0.00 -1.74 0.00 0.00 68.15 67.16 1iwp h THR 234 CO -0.10 0.10 0.00 0.44 0.37 0.00 0.00 175.52 176.33 1iwp h ASP 235 N 0.37 0.00 0.82 4.18 5.19 -0.70 0.49 116.42 126.76 1iwp h ASP 235 Ca 0.10 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.51 1iwp h ASP 235 Cb 0.02 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.53 1iwp h ASP 235 CO -0.02 0.00 -0.01 0.61 -3.12 0.00 0.00 179.24 176.70 1iwp n GLY 236 N -0.28 -1.41 2.66 2.75 0.00 0.72 -4.92 105.19 104.71 1iwp n GLY 236 Ca -0.00 -0.12 -0.13 0.00 0.00 0.00 0.00 46.02 45.76 1iwp n GLY 236 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1iwp n ASP 237 N -1.41 -4.15 -3.42 1.61 2.03 0.17 -5.02 116.55 106.36 1iwp n ASP 237 Ca 0.10 -0.32 -0.08 0.00 0.52 0.00 0.00 54.79 55.01 1iwp n ASP 237 Cb 0.30 -3.11 -0.00 0.00 -0.72 0.00 0.00 41.12 37.58 1iwp n ASP 237 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 1iwp s ASP 238 N -3.27 -0.06 0.19 1.67 1.01 -0.93 -5.03 116.67 110.25 1iwp s ASP 238 Ca 0.29 -0.93 -0.00 0.00 0.71 0.00 0.00 52.55 52.62 1iwp s ASP 238 Cb -0.13 0.77 -0.04 0.00 1.01 0.00 0.00 42.92 44.53 1iwp s ASP 238 CO 0.42 -1.48 0.09 0.42 0.21 0.00 0.00 175.17 174.83 1iwp s THR 239 N -3.16 0.20 0.56 -1.27 -4.23 -1.26 -3.68 115.64 102.80 1iwp s THR 239 Ca 0.15 -1.98 0.24 0.00 -1.18 0.00 0.00 61.69 58.92 1iwp s THR 239 Cb -0.05 -2.39 0.33 0.00 1.34 0.00 0.00 72.50 71.73 1iwp s THR 239 CO 0.10 -0.15 2.16 -0.65 -0.54 0.00 0.00 174.62 175.54 1iwp h PRO 240 N 2.63 0.00 -0.01 3.99 0.11 -1.97 -2.08 132.00 134.68 1iwp h PRO 240 Ca -0.36 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.53 1iwp h PRO 240 Cb 1.23 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.36 1iwp h PRO 240 CO 0.57 0.00 -0.83 -1.49 -0.21 0.00 0.00 178.00 176.04 1iwp h TRP 241 N 0.00 0.85 -0.32 0.65 6.55 -1.96 -0.96 115.95 120.76 1iwp h TRP 241 Ca 0.04 -0.46 -0.12 0.00 0.95 0.00 0.00 58.89 59.30 1iwp h TRP 241 Cb 0.20 -0.10 -0.01 0.00 -0.86 0.00 0.00 29.16 28.39 1iwp h TRP 241 CO 0.00 1.29 -0.30 0.66 -1.05 0.00 0.00 178.44 179.04 1iwp h SER 242 N 0.18 0.71 -0.33 -3.49 4.64 -1.86 -0.75 113.55 112.64 1iwp h SER 242 Ca -0.10 -0.28 -0.14 0.00 -0.47 0.00 0.00 61.79 60.80 1iwp h SER 242 Cb 1.51 -0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 63.40 1iwp h SER 242 CO 0.16 0.96 -0.35 0.11 -0.87 0.00 0.00 176.83 176.85 1iwp h LYS 243 N 0.58 0.82 -0.76 4.77 1.79 -1.42 0.23 116.57 122.58 1iwp h LYS 243 Ca 0.07 -0.44 -0.06 0.00 -2.18 0.00 0.00 60.65 58.04 1iwp h LYS 243 Cb 0.80 0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 31.44 1iwp h LYS 243 CO 0.07 1.08 0.25 0.00 -1.08 0.00 0.00 179.45 179.76 1iwp h ALA 244 N 0.73 0.99 -0.43 3.86 0.00 -1.05 0.17 119.26 123.53 1iwp h ALA 244 Ca 0.05 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1iwp h ALA 244 Cb 0.93 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1iwp h ALA 244 CO 0.09 0.66 0.12 0.35 0.00 0.00 0.00 179.25 180.47 1iwp h PHE 245 N 1.12 0.71 -0.64 0.00 3.57 -0.96 -1.86 116.94 118.89 1iwp h PHE 245 Ca 0.25 -0.08 0.04 0.00 3.53 0.00 0.00 57.97 61.71 1iwp h PHE 245 Cb 0.29 -0.20 -0.05 0.00 2.79 0.00 0.00 35.95 38.78 1iwp h PHE 245 CO 0.02 0.66 0.37 1.25 -2.23 0.00 0.00 178.31 178.38 1iwp h LEU 246 N 0.56 0.58 -0.80 0.59 5.85 0.20 0.13 115.31 122.42 1iwp h LEU 246 Ca 0.14 0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.92 1iwp h LEU 246 Cb 0.29 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.17 1iwp h LEU 246 CO -0.00 0.39 0.50 0.00 -0.34 0.00 0.00 178.44 178.99 1iwp h ALA 247 N 1.30 1.08 -0.37 1.25 0.00 -0.32 -1.39 119.26 120.80 1iwp h ALA 247 Ca 0.27 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.06 1iwp h ALA 247 Cb 0.10 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1iwp h ALA 247 CO -0.14 0.28 -0.17 0.77 0.00 0.00 0.00 179.25 179.99 1iwp h SER 248 N 0.95 0.69 -0.56 0.00 0.02 -0.51 -2.03 113.55 112.11 1iwp h SER 248 Ca 0.34 -0.22 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1iwp h SER 248 Cb 0.09 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.41 1iwp h SER 248 CO -0.14 0.87 0.36 0.00 -1.14 0.00 0.00 176.83 176.78 1iwp h ALA 249 N 1.19 0.71 0.06 3.77 0.00 0.26 0.38 119.26 125.63 1iwp h ALA 249 Ca 0.10 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1iwp h ALA 249 Cb 0.64 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1iwp h ALA 249 CO 0.04 0.17 -0.03 1.88 0.00 0.00 0.00 179.25 181.32 1iwp h TYR 250 N 0.76 -0.07 -0.68 0.00 0.05 -1.06 -2.72 116.97 113.25 1iwp h TYR 250 Ca 0.20 -0.00 0.01 0.00 0.05 0.00 0.00 58.73 59.00 1iwp h TYR 250 Cb -0.06 0.02 -0.03 0.00 1.01 0.00 0.00 36.73 37.67 1iwp h TYR 250 CO -0.03 0.01 0.45 0.00 -1.05 0.00 0.00 178.16 177.54 1iwp h ALA 251 N 0.81 1.54 0.00 3.88 0.00 -0.94 -0.18 119.26 124.37 1iwp h ALA 251 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1iwp h ALA 251 Cb 0.11 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1iwp h ALA 251 CO 0.01 0.42 0.00 -1.13 0.00 0.00 0.00 179.25 178.55 1iwp n SER 252 N -4.44 0.37 -0.62 0.00 3.41 0.13 -0.28 113.62 112.20 1iwp n SER 252 Ca 0.07 0.63 0.06 0.00 -0.26 0.00 0.00 58.87 59.37 1iwp n SER 252 Cb 0.06 -0.69 0.13 0.00 -0.26 0.00 0.00 64.21 63.45 1iwp n SER 252 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1iwp n ARG 253 N -1.95 2.35 -1.25 4.33 3.00 -0.37 -4.95 116.66 117.82 1iwp n ARG 253 Ca 0.01 -1.87 -0.08 0.00 -0.01 0.00 0.00 57.85 55.90 1iwp n ARG 253 Cb 0.12 -1.27 -0.04 0.00 0.00 0.00 0.00 32.46 31.28 1iwp n ARG 253 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1iwp n GLY 254 N 0.57 1.01 3.67 -0.13 0.00 0.62 -4.80 105.19 106.14 1iwp n GLY 254 Ca 0.11 -0.49 -0.39 0.00 0.00 0.00 0.00 46.02 45.24 1iwp n GLY 254 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1iwp s LEU 255 N -1.92 4.18 0.39 0.99 2.96 -0.22 -3.96 118.68 121.10 1iwp s LEU 255 Ca 0.00 0.81 -0.26 0.00 -0.22 0.00 0.00 54.13 54.47 1iwp s LEU 255 Cb 0.00 -2.82 -0.09 0.00 0.50 0.00 0.00 46.19 43.78 1iwp s LEU 255 CO 0.00 -0.19 1.19 -0.75 -1.32 0.00 0.00 176.35 175.28 1iwp s LYS 256 N 1.54 4.07 0.18 1.98 2.20 -1.25 -3.78 119.74 124.68 1iwp s LYS 256 Ca 0.28 1.90 -0.23 0.00 -0.36 0.00 0.00 55.97 57.56 1iwp s LYS 256 Cb -0.16 -2.72 0.06 0.00 -1.51 0.00 0.00 37.83 33.50 1iwp s LYS 256 CO 0.11 -0.32 0.62 0.00 -0.36 0.00 0.00 175.35 175.40 1iwp s MET 257 N -2.24 1.37 0.14 4.03 0.23 -1.26 -1.90 119.30 119.67 1iwp s MET 257 Ca 0.56 -0.56 -0.06 0.00 -1.03 0.00 0.00 55.69 54.60 1iwp s MET 257 Cb -0.32 0.59 -0.02 0.00 -1.53 0.00 0.00 34.83 33.55 1iwp s MET 257 CO 0.41 -0.60 0.19 -0.98 -2.03 0.00 0.00 175.02 172.01 1iwp s ARG 258 N -3.78 1.02 0.60 3.16 1.70 -0.78 -4.44 118.95 116.43 1iwp s ARG 258 Ca 0.03 -1.22 -0.00 0.00 -0.47 0.00 0.00 55.73 54.07 1iwp s ARG 258 Cb -0.02 0.33 0.05 0.00 -0.57 0.00 0.00 34.95 34.74 1iwp s ARG 258 CO -0.10 -0.34 0.85 0.71 -1.08 0.00 0.00 175.30 175.34 1iwp s TYR 259 N -3.97 2.66 -0.01 5.89 2.02 -0.83 -3.96 117.35 119.15 1iwp s TYR 259 Ca 0.17 0.01 0.01 0.00 -0.37 0.00 0.00 57.07 56.89 1iwp s TYR 259 Cb 0.05 -2.86 -0.00 0.00 -0.40 0.00 0.00 41.96 38.75 1iwp s TYR 259 CO -0.02 -1.09 -0.04 0.99 -1.57 0.00 0.00 175.55 173.82 1iwp s THR 260 N -2.90 0.38 0.00 -0.71 2.01 -0.48 -0.46 115.64 113.48 1iwp s THR 260 Ca 0.59 -0.18 0.00 0.00 0.31 0.00 0.00 61.69 62.41 1iwp s THR 260 Cb -0.10 -0.33 0.00 0.00 0.01 0.00 0.00 72.50 72.08 1iwp s THR 260 CO 0.40 0.12 0.00 -1.54 -0.69 0.00 0.00 174.62 172.91 1iwp n SER 261 N 3.10 1.57 0.00 3.53 3.41 -0.28 -2.42 113.62 122.53 1iwp n SER 261 Ca -0.15 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.46 1iwp n SER 261 Cb 0.57 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 1iwp n SER 261 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1iwp n GLY 262 N 0.00 4.43 3.67 5.00 0.00 -1.26 -4.55 105.19 112.48 1iwp n GLY 262 Ca 0.00 -1.13 -0.41 0.00 0.00 0.00 0.00 46.02 44.48 1iwp n GLY 262 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1iwp n THR 263 N -1.10 2.53 0.00 2.61 -2.24 -1.26 -3.39 114.28 111.43 1iwp n THR 263 Ca 0.00 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 1iwp n THR 263 Cb 0.00 -1.43 0.00 0.00 -2.10 0.00 0.00 70.33 66.80 1iwp n THR 263 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1iwp n GLY 264 N 0.94 2.89 0.23 3.38 0.00 -1.26 -4.36 105.19 107.00 1iwp n GLY 264 Ca 0.08 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.02 1iwp n GLY 264 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1iwp h SER 265 N 0.00 0.66 -0.44 1.61 4.64 -1.87 -0.98 113.55 117.16 1iwp h SER 265 Ca 0.00 -0.09 -0.03 0.00 -0.47 0.00 0.00 61.79 61.20 1iwp h SER 265 Cb 0.00 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 61.90 1iwp h SER 265 CO 0.00 0.56 0.15 -0.33 -0.87 0.00 0.00 176.83 176.34 1iwp h GLU 266 N 0.70 0.68 -0.54 4.77 3.07 -1.88 0.11 114.58 121.50 1iwp h GLU 266 Ca 0.19 -0.14 -0.10 0.00 -0.50 0.00 0.00 59.36 58.81 1iwp h GLU 266 Cb 0.04 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 27.83 1iwp h GLU 266 CO -0.03 0.65 -0.05 0.00 -1.40 0.00 0.00 179.01 178.18 1iwp h ALA 267 N 1.00 0.88 0.00 3.43 0.00 -1.81 -1.38 119.26 121.39 1iwp h ALA 267 Ca 0.14 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 1iwp h ALA 267 Cb 0.24 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1iwp h ALA 267 CO -0.01 0.65 -0.40 1.25 0.00 0.00 0.00 179.25 180.74 1iwp h LEU 268 N 0.88 0.00 -1.83 0.00 5.85 -1.00 -2.79 115.31 116.42 1iwp h LEU 268 Ca 0.15 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.87 1iwp h LEU 268 Cb 0.59 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.62 1iwp h LEU 268 CO 0.04 0.40 0.00 0.23 -0.34 0.00 0.00 178.44 178.77 1iwp n MET 269 N -3.63 2.16 -0.79 1.25 2.81 0.01 -4.96 117.12 113.97 1iwp n MET 269 Ca -0.01 -1.79 0.00 0.00 -1.81 0.00 0.00 57.70 54.09 1iwp n MET 269 Cb 0.50 -1.40 0.00 0.00 -0.71 0.00 0.00 33.22 31.61 1iwp n MET 269 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1iwp n GLY 270 N 1.31 1.21 2.54 3.03 0.00 -0.80 -4.93 105.19 107.55 1iwp n GLY 270 Ca 0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 1iwp n GLY 270 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1iwp n TYR 271 N -2.00 0.55 0.96 1.61 4.02 -0.59 -4.88 117.16 116.84 1iwp n TYR 271 Ca 0.00 -3.66 0.12 0.00 -0.01 0.00 0.00 57.90 54.35 1iwp n TYR 271 Cb 0.00 -0.08 0.23 0.00 -0.02 0.00 0.00 39.34 39.47 1iwp n TYR 271 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1iwp n SER 272 N 2.40 0.53 -2.33 7.72 3.41 -1.24 -4.58 113.62 119.53 1iwp n SER 272 Ca 0.26 -0.25 -0.19 0.00 -0.26 0.00 0.00 58.87 58.44 1iwp n SER 272 Cb 0.44 0.28 -0.02 0.00 -0.26 0.00 0.00 64.21 64.65 1iwp n SER 272 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1iwp n GLU 273 N -1.55 -1.79 -1.79 4.33 1.02 -1.26 -1.23 120.64 118.38 1iwp n GLU 273 Ca 0.05 0.92 -0.19 0.00 -0.02 0.00 0.00 57.16 57.92 1iwp n GLU 273 Cb 0.34 -5.55 -0.06 0.00 -0.02 0.00 0.00 31.44 26.16 1iwp n GLU 273 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1iwp n SER 274 N -1.89 -5.38 -4.97 1.62 2.88 -1.24 -4.99 113.62 99.67 1iwp n SER 274 Ca -0.22 0.33 -0.22 0.00 -1.33 0.00 0.00 58.87 57.44 1iwp n SER 274 Cb 0.66 -4.53 -0.02 0.00 -0.75 0.00 0.00 64.21 59.58 1iwp n SER 274 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1iwp s LYS 275 N -4.01 3.44 0.71 -1.46 -0.14 -0.36 -4.56 119.74 113.36 1iwp s LYS 275 Ca 0.00 -0.71 -0.13 0.00 -1.36 0.00 0.00 55.97 53.77 1iwp s LYS 275 Cb 0.00 -2.88 0.02 0.00 -1.68 0.00 0.00 37.83 33.30 1iwp s LYS 275 CO 0.00 0.41 1.10 -1.54 -0.76 0.00 0.00 175.35 174.56 1iwp s SER 276 N -3.92 4.88 0.16 2.83 1.04 -1.26 -4.19 113.70 113.23 1iwp s SER 276 Ca 0.35 1.91 -0.15 0.00 0.48 0.00 0.00 55.95 58.53 1iwp s SER 276 Cb -0.09 -2.54 0.03 0.00 0.10 0.00 0.00 66.02 63.52 1iwp s SER 276 CO 0.30 -1.78 1.79 0.24 0.98 0.00 0.00 173.24 174.76 1iwp h MET 277 N -0.47 0.62 -0.55 4.02 2.86 -1.14 -2.41 114.93 117.87 1iwp h MET 277 Ca -0.45 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.10 1iwp h MET 277 Cb 1.24 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.74 1iwp h MET 277 CO 0.53 0.46 0.24 1.25 1.06 0.00 0.00 176.91 180.45 1iwp h LEU 278 N 0.61 0.74 -0.19 1.22 5.85 -1.01 0.01 115.31 122.54 1iwp h LEU 278 Ca 0.16 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1iwp h LEU 278 Cb -0.01 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 1iwp h LEU 278 CO -0.03 0.69 0.12 0.22 -0.34 0.00 0.00 178.44 179.10 1iwp h TYR 279 N 0.74 0.24 -0.95 1.25 3.20 -1.79 0.28 116.97 119.94 1iwp h TYR 279 Ca 0.18 0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.09 1iwp h TYR 279 Cb 0.16 -0.08 -0.05 0.00 1.54 0.00 0.00 36.73 38.30 1iwp h TYR 279 CO 0.00 0.16 0.62 -0.07 -1.64 0.00 0.00 178.16 177.23 1iwp h LEU 280 N 0.25 1.03 -0.96 2.82 3.38 -1.23 -1.14 115.31 119.46 1iwp h LEU 280 Ca 0.07 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 1iwp h LEU 280 Cb -0.02 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 1iwp h LEU 280 CO -0.01 0.71 -0.01 -0.08 0.09 0.00 0.00 178.44 179.14 1iwp h GLU 281 N 1.20 0.74 -0.95 1.13 4.57 -0.28 -1.96 114.58 119.04 1iwp h GLU 281 Ca 0.37 -0.20 -0.00 0.00 -1.18 0.00 0.00 59.36 58.35 1iwp h GLU 281 Cb -0.01 -0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 28.44 1iwp h GLU 281 CO -0.12 0.76 0.59 1.03 -1.18 0.00 0.00 179.01 180.10 1iwp h SER 282 N 0.70 1.13 -0.49 1.04 0.87 0.73 0.16 113.55 117.69 1iwp h SER 282 Ca 0.14 -0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.63 1iwp h SER 282 Cb 0.45 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.10 1iwp h SER 282 CO 0.02 0.85 0.25 0.03 -0.53 0.00 0.00 176.83 177.46 1iwp h ARG 283 N 1.31 0.69 -0.92 2.24 3.08 -0.67 -0.96 114.38 119.14 1iwp h ARG 283 Ca 0.34 -0.09 0.04 0.00 0.07 0.00 0.00 59.98 60.34 1iwp h ARG 283 Cb -0.08 -0.13 -0.06 0.00 0.08 0.00 0.00 29.97 29.78 1iwp h ARG 283 CO -0.07 0.55 0.60 0.00 -1.07 0.00 0.00 179.97 179.98 1iwp h ILE 285 N 1.15 1.25 -0.25 0.00 2.04 -0.23 -0.77 117.51 120.69 1iwp h ILE 285 Ca 0.37 -0.87 -0.12 0.00 1.00 0.00 0.00 64.86 65.25 1iwp h ILE 285 Cb 0.03 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 1iwp h ILE 285 CO -0.13 0.32 -0.34 -0.26 0.00 0.00 0.00 178.15 177.74 1iwp h PHE 286 N 0.79 0.61 -0.64 1.37 -1.00 -0.45 -0.05 116.94 117.58 1iwp h PHE 286 Ca 0.18 -0.16 -0.01 0.00 2.81 0.00 0.00 57.97 60.79 1iwp h PHE 286 Cb 0.33 -0.14 -0.03 0.00 3.61 0.00 0.00 35.95 39.72 1iwp h PHE 286 CO 0.02 0.80 0.38 0.82 -1.61 0.00 0.00 178.31 178.72 1iwp h ILE 287 N 0.45 1.19 -0.47 -0.55 2.04 -0.23 0.22 117.51 120.15 1iwp h ILE 287 Ca 0.05 -0.43 -0.01 0.00 1.00 0.00 0.00 64.86 65.46 1iwp h ILE 287 Cb 0.81 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 1iwp h ILE 287 CO 0.07 0.20 0.24 0.74 0.00 0.00 0.00 178.15 179.39 1iwp h THR 288 N 0.86 1.18 -0.50 -0.27 2.02 -0.70 -0.28 112.91 115.22 1iwp h THR 288 Ca 0.23 -0.50 -0.03 0.00 0.77 0.00 0.00 66.41 66.88 1iwp h THR 288 Cb -0.01 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 1iwp h THR 288 CO -0.04 0.20 0.19 0.50 0.37 0.00 0.00 175.52 176.74 1iwp h LYS 289 N 0.62 0.76 -0.22 6.66 1.63 -0.42 -2.79 116.57 122.80 1iwp h LYS 289 Ca 0.16 -0.15 -0.09 0.00 -0.85 0.00 0.00 60.65 59.72 1iwp h LYS 289 Cb 0.10 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 31.60 1iwp h LYS 289 CO -0.02 0.69 -0.27 0.78 -3.45 0.00 0.00 179.45 177.17 1iwp h GLY 290 N 0.68 0.46 2.00 5.01 0.00 -0.36 -2.12 103.07 108.74 1iwp h GLY 290 Ca 0.17 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 47.12 1iwp h GLY 290 CO -0.01 0.34 0.00 0.00 0.00 0.00 0.00 176.54 176.87 1iwp h ALA 291 N 1.34 1.00 0.00 3.60 0.00 -0.86 -3.42 119.26 120.92 1iwp h ALA 291 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1iwp h ALA 291 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1iwp h ALA 291 CO 0.05 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.71 1iwp n GLY 292 N -0.50 0.55 3.73 0.00 0.00 -0.80 -4.94 105.19 103.24 1iwp n GLY 292 Ca -0.01 -0.55 -0.41 0.00 0.00 0.00 0.00 46.02 45.05 1iwp n GLY 292 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iwp s VAL 293 N -2.00 4.14 0.19 1.61 1.01 -1.07 -4.96 120.40 119.32 1iwp s VAL 293 Ca 0.00 1.75 0.13 0.00 0.00 0.00 0.00 61.98 63.86 1iwp s VAL 293 Cb 0.00 -4.12 0.02 0.00 0.00 0.00 0.00 36.38 32.28 1iwp s VAL 293 CO 0.00 0.25 1.61 0.06 0.00 0.00 0.00 175.10 177.03 1iwp h GLN 294 N 5.62 0.00 -4.69 2.72 -0.00 -1.87 -3.42 115.11 113.47 1iwp h GLN 294 Ca -0.43 0.00 -0.29 0.00 -0.00 0.00 0.00 58.65 57.93 1iwp h GLN 294 Cb 1.21 0.00 -0.15 0.00 -0.00 0.00 0.00 27.48 28.55 1iwp h GLN 294 CO 0.74 0.56 -0.61 0.20 -0.00 0.00 0.00 178.83 179.72 1iwp s GLY 295 N -4.45 1.61 -0.07 0.06 0.00 -1.26 -0.50 107.32 102.72 1iwp s GLY 295 Ca -0.00 -1.76 -0.06 0.00 0.00 0.00 0.00 44.72 42.90 1iwp s GLY 295 CO 0.74 -1.46 0.17 -2.27 0.00 0.00 0.00 173.10 170.28 1iwp s LEU 296 N -3.22 1.30 -0.36 0.66 2.96 0.45 -1.96 118.68 118.51 1iwp s LEU 296 Ca 0.39 0.35 -0.12 0.00 -0.22 0.00 0.00 54.13 54.52 1iwp s LEU 296 Cb 0.07 0.58 0.00 0.00 0.50 0.00 0.00 46.19 47.34 1iwp s LEU 296 CO 0.14 -0.07 0.23 -1.58 -1.32 0.00 0.00 176.35 173.75 1iwp s GLN 297 N 0.16 3.17 0.29 1.98 0.74 0.39 -1.29 119.66 125.11 1iwp s GLN 297 Ca -0.01 -0.86 -0.01 0.00 0.05 0.00 0.00 55.36 54.53 1iwp s GLN 297 Cb -0.02 -3.78 0.01 0.00 1.10 0.00 0.00 33.01 30.32 1iwp s GLN 297 CO -0.00 -0.57 0.40 0.27 -0.55 0.00 0.00 175.29 174.84 1iwp n ASN 298 N 5.06 -1.12 0.00 6.67 6.94 -0.96 -1.12 115.26 130.73 1iwp n ASN 298 Ca -0.12 -2.59 0.00 0.00 -0.02 0.00 0.00 54.58 51.85 1iwp n ASN 298 Cb 0.48 2.10 0.00 0.00 -2.36 0.00 0.00 39.78 40.00 1iwp n ASN 298 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1iwp n GLY 299 N -0.48 0.72 4.62 4.83 0.00 -1.26 -2.42 105.19 111.20 1iwp n GLY 299 Ca 0.01 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1iwp n GLY 299 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iwp n ALA 300 N 0.00 0.00 -0.58 4.61 0.00 -1.26 -4.61 120.51 118.66 1iwp n ALA 300 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1iwp n ALA 300 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1iwp n ALA 300 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1iwp n VAL 301 N 0.00 0.00 0.30 0.00 0.31 -1.26 -1.15 118.33 116.53 1iwp n VAL 301 Ca 0.00 0.00 0.17 0.00 -0.01 0.00 0.00 64.34 64.50 1iwp n VAL 301 Cb 0.00 0.00 0.95 0.00 -0.91 0.00 0.00 33.84 33.88 1iwp n VAL 301 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1iwp h SER 302 N 0.00 0.00 -0.85 4.52 0.02 -1.90 -2.40 113.55 112.94 1iwp h SER 302 Ca 0.00 0.00 -0.43 0.00 -0.84 0.00 0.00 61.79 60.52 1iwp h SER 302 Cb 0.00 0.00 -0.26 0.00 0.14 0.00 0.00 62.40 62.28 1iwp h SER 302 CO 0.00 0.02 0.55 0.00 -1.14 0.00 0.00 176.83 176.26 1iwp h ILE 304 N 0.95 0.63 0.00 0.00 6.09 -1.50 0.52 117.51 124.20 1iwp h ILE 304 Ca 0.53 -0.27 -0.00 0.00 -1.37 0.00 0.00 64.86 63.75 1iwp h ILE 304 Cb 2.59 1.17 -0.00 0.00 0.47 0.00 0.00 36.82 41.04 1iwp h ILE 304 CO 0.94 0.06 -0.01 1.23 -3.07 0.00 0.00 178.15 177.30 1iwp h GLY 305 N 0.38 0.00 0.00 8.18 0.00 -1.80 0.73 103.07 110.56 1iwp h GLY 305 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 1iwp h GLY 305 CO 0.01 0.00 -0.27 -0.33 0.00 0.00 0.00 176.54 175.95 1iwp h MET 306 N 0.00 0.00 -0.42 4.80 2.86 -1.24 -3.24 114.93 117.69 1iwp h MET 306 Ca -0.00 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.58 1iwp h MET 306 Cb 0.39 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.03 1iwp h MET 306 CO 0.00 0.64 0.04 1.15 1.06 0.00 0.00 176.91 179.81 1iwp h THR 307 N -1.00 1.25 0.00 2.22 2.02 -1.39 -2.61 112.91 113.41 1iwp h THR 307 Ca -0.06 -0.93 0.00 0.00 0.77 0.00 0.00 66.41 66.19 1iwp h THR 307 Cb 0.75 1.04 0.00 0.00 -1.74 0.00 0.00 68.15 68.20 1iwp h THR 307 CO -0.04 0.32 0.00 1.23 0.37 0.00 0.00 175.52 177.40 1iwp h GLY 308 N 0.55 0.00 2.00 2.16 0.00 -1.04 -2.84 103.07 103.90 1iwp h GLY 308 Ca 0.12 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.35 1iwp h GLY 308 CO 0.01 0.00 -0.49 0.00 0.00 0.00 0.00 176.54 176.06 1iwp h ALA 309 N 2.17 0.86 -1.89 3.60 0.00 -1.49 -3.46 119.26 119.05 1iwp h ALA 309 Ca 0.00 -0.45 -0.50 0.00 0.00 0.00 0.00 54.91 53.97 1iwp h ALA 309 Cb 0.29 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 1iwp h ALA 309 CO 0.00 0.62 -0.46 0.14 0.00 0.00 0.00 179.25 179.55 1iwp s VAL 310 N -3.38 3.64 0.41 0.00 -7.23 -1.07 -1.33 120.40 111.43 1iwp s VAL 310 Ca 0.01 -1.37 -0.25 0.00 -1.81 0.00 0.00 61.98 58.55 1iwp s VAL 310 Cb 0.10 -3.21 -0.10 0.00 0.56 0.00 0.00 36.38 33.73 1iwp s VAL 310 CO 0.72 -0.19 1.21 -2.65 -0.31 0.00 0.00 175.10 173.87 1iwp n PRO 311 N -1.35 1.79 -1.55 4.82 -0.02 -1.26 -1.98 135.00 135.44 1iwp n PRO 311 Ca -0.03 0.64 -0.14 0.00 -2.02 0.00 0.00 63.50 61.95 1iwp n PRO 311 Cb 0.60 -2.29 -0.05 0.00 -0.02 0.00 0.00 33.50 31.74 1iwp n PRO 311 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1iwp n SER 312 N 0.32 -3.80 -0.03 2.55 2.88 -1.26 -4.42 113.62 109.87 1iwp n SER 312 Ca 0.07 0.32 -0.11 0.00 -1.33 0.00 0.00 58.87 57.82 1iwp n SER 312 Cb 0.39 -3.47 -0.05 0.00 -0.75 0.00 0.00 64.21 60.33 1iwp n SER 312 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1iwp h GLY 313 N 0.00 0.23 2.00 0.46 0.00 -1.54 0.12 103.07 104.34 1iwp h GLY 313 Ca -0.29 -0.11 -0.05 0.00 0.00 0.00 0.00 47.33 46.87 1iwp h GLY 313 CO 0.42 0.11 -0.23 -2.22 0.00 0.00 0.00 176.54 174.62 1iwp h ILE 314 N 0.12 0.81 -0.00 2.60 1.08 -1.83 0.32 117.51 120.60 1iwp h ILE 314 Ca 0.05 -0.90 -0.23 0.00 -0.39 0.00 0.00 64.86 63.39 1iwp h ILE 314 Cb 0.12 1.54 0.01 0.00 -3.07 0.00 0.00 36.82 35.42 1iwp h ILE 314 CO -0.01 0.22 -0.95 -0.09 -0.69 0.00 0.00 178.15 176.63 1iwp h ARG 315 N 0.00 0.46 -0.40 2.37 2.43 -1.87 -2.88 114.38 114.49 1iwp h ARG 315 Ca -0.00 -0.49 -0.06 0.00 -0.81 0.00 0.00 59.98 58.62 1iwp h ARG 315 Cb 0.53 0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.19 1iwp h ARG 315 CO 0.03 1.14 0.00 0.00 -1.51 0.00 0.00 179.97 179.63 1iwp h ALA 316 N 0.69 1.26 -0.50 2.80 0.00 0.38 0.11 119.26 123.99 1iwp h ALA 316 Ca -0.09 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 1iwp h ALA 316 Cb 1.59 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.19 1iwp h ALA 316 CO 0.17 0.50 0.17 0.28 0.00 0.00 0.00 179.25 180.37 1iwp h VAL 317 N 0.60 1.23 -0.39 0.00 2.07 -0.90 0.20 116.25 119.05 1iwp h VAL 317 Ca 0.12 -0.74 -0.02 0.00 0.82 0.00 0.00 66.70 66.89 1iwp h VAL 317 Cb 0.38 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 1iwp h VAL 317 CO 0.01 0.27 0.19 0.25 0.02 0.00 0.00 177.57 178.31 1iwp h LEU 318 N 0.68 0.52 -0.74 2.57 5.85 -1.21 -2.30 115.31 120.66 1iwp h LEU 318 Ca 0.16 -0.13 0.06 0.00 0.84 0.00 0.00 57.88 58.82 1iwp h LEU 318 Cb 0.25 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.09 1iwp h LEU 318 CO -0.01 0.50 0.43 0.00 -0.34 0.00 0.00 178.44 179.03 1iwp h ALA 319 N 1.03 1.01 -0.06 1.25 0.00 -0.15 -0.27 119.26 122.08 1iwp h ALA 319 Ca 0.13 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 1iwp h ALA 319 Cb 0.12 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1iwp h ALA 319 CO -0.02 0.13 -0.35 1.05 0.00 0.00 0.00 179.25 180.06 1iwp h GLU 320 N 0.79 0.11 -0.38 0.00 4.11 -0.37 0.65 114.58 119.49 1iwp h GLU 320 Ca 0.33 -0.04 -0.07 0.00 0.07 0.00 0.00 59.36 59.65 1iwp h GLU 320 Cb 0.20 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1iwp h GLU 320 CO -0.18 0.46 -0.04 -0.91 0.07 0.00 0.00 179.01 178.40 1iwp h ASN 321 N 0.10 0.69 -0.47 3.06 -0.26 -0.74 -2.60 115.58 115.36 1iwp h ASN 321 Ca 0.01 -0.34 -0.04 0.00 -0.56 0.00 0.00 56.30 55.38 1iwp h ASN 321 Cb 0.68 -0.19 -0.02 0.00 -1.06 0.00 0.00 38.32 37.73 1iwp h ASN 321 CO 0.05 0.86 0.14 0.25 -1.06 0.00 0.00 177.43 177.68 1iwp h LEU 322 N 0.51 0.69 -0.36 1.61 5.85 -0.42 -0.81 115.31 122.39 1iwp h LEU 322 Ca 0.10 -0.21 0.03 0.00 0.84 0.00 0.00 57.88 58.65 1iwp h LEU 322 Cb 0.54 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 1iwp h LEU 322 CO 0.03 0.72 0.15 0.40 -0.34 0.00 0.00 178.44 179.40 1iwp h ILE 323 N 0.63 0.94 -0.62 4.05 2.04 -0.84 0.38 117.51 124.09 1iwp h ILE 323 Ca 0.15 -0.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.89 1iwp h ILE 323 Cb 0.28 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 36.92 1iwp h ILE 323 CO -0.00 0.06 0.35 0.00 0.00 0.00 0.00 178.15 178.55 1iwp h ALA 324 N 1.21 0.79 -0.15 1.87 0.00 -1.23 -1.46 119.26 120.29 1iwp h ALA 324 Ca 0.16 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1iwp h ALA 324 Cb 0.10 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1iwp h ALA 324 CO -0.14 0.30 0.01 0.77 0.00 0.00 0.00 179.25 180.20 1iwp h SER 325 N 0.84 0.24 0.35 0.00 0.02 -0.54 -1.96 113.55 112.50 1iwp h SER 325 Ca 0.22 -0.28 -0.01 0.00 -0.84 0.00 0.00 61.79 60.88 1iwp h SER 325 Cb 0.03 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 62.50 1iwp h SER 325 CO -0.04 0.46 -0.04 0.00 -1.14 0.00 0.00 176.83 176.07 1iwp h MET 326 N 0.01 0.00 -0.11 3.45 -0.00 -0.12 0.22 114.93 118.39 1iwp h MET 326 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.74 1iwp h MET 326 Cb 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.93 1iwp h MET 326 CO 0.00 0.04 0.00 1.28 -0.00 0.00 0.00 176.91 178.24 1iwp n LEU 327 N -3.36 0.61 -3.09 -0.10 7.99 -0.56 -4.39 117.00 114.09 1iwp n LEU 327 Ca -0.02 -0.30 -0.20 0.00 -0.01 0.00 0.00 56.01 55.49 1iwp n LEU 327 Cb 0.18 -0.07 0.07 0.00 -0.11 0.00 0.00 43.42 43.48 1iwp n LEU 327 CO 0.26 0.15 0.20 -0.67 -1.51 0.00 0.00 177.39 175.82 1iwp n ASP 328 N -0.18 -5.34 -4.66 -1.43 2.03 0.77 -4.89 116.55 102.85 1iwp n ASP 328 Ca 0.04 -0.46 -0.29 0.00 0.52 0.00 0.00 54.79 54.60 1iwp n ASP 328 Cb 0.10 -4.31 -0.08 0.00 -0.72 0.00 0.00 41.12 36.10 1iwp n ASP 328 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1iwp s LEU 329 N -6.23 3.35 0.34 -2.67 1.43 -0.77 -5.00 118.68 109.14 1iwp s LEU 329 Ca 0.45 -0.26 -0.28 0.00 -1.03 0.00 0.00 54.13 53.01 1iwp s LEU 329 Cb -0.20 -2.08 -0.10 0.00 0.03 0.00 0.00 46.19 43.84 1iwp s LEU 329 CO 0.61 0.16 1.27 -0.70 0.23 0.00 0.00 176.35 177.92 1iwp s GLU 330 N -2.40 4.30 -0.17 1.70 2.12 0.35 -4.35 118.70 120.26 1iwp s GLU 330 Ca 0.25 2.13 0.00 0.00 0.36 0.00 0.00 54.97 57.71 1iwp s GLU 330 Cb -0.11 -3.00 0.04 0.00 0.26 0.00 0.00 34.13 31.32 1iwp s GLU 330 CO 0.17 -0.20 -0.08 0.08 -0.54 0.00 0.00 175.26 174.69 1iwp s VAL 331 N -1.19 1.32 -0.71 3.70 1.01 -1.26 -0.41 120.40 122.86 1iwp s VAL 331 Ca 0.50 -0.71 -0.17 0.00 0.00 0.00 0.00 61.98 61.60 1iwp s VAL 331 Cb -0.38 -1.42 0.14 0.00 0.00 0.00 0.00 36.38 34.73 1iwp s VAL 331 CO 0.50 0.20 0.78 0.00 0.00 0.00 0.00 175.10 176.57 1iwp s ALA 332 N 1.55 3.61 0.00 5.51 0.00 -0.41 -2.46 121.76 129.55 1iwp s ALA 332 Ca 0.01 -2.65 -0.05 0.00 0.00 0.00 0.00 51.96 49.27 1iwp s ALA 332 Cb -0.15 -3.59 -0.22 0.00 0.00 0.00 0.00 23.12 19.15 1iwp s ALA 332 CO -0.08 -2.41 3.13 -1.13 0.00 0.00 0.00 175.76 175.27 1iwp n SER 333 N 5.63 4.53 0.00 0.00 3.41 -0.12 -2.27 113.62 124.80 1iwp n SER 333 Ca 0.02 -2.34 0.00 0.00 -0.26 0.00 0.00 58.87 56.29 1iwp n SER 333 Cb 0.45 -1.21 0.00 0.00 -0.26 0.00 0.00 64.21 63.18 1iwp n SER 333 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1iwp n ALA 334 N 2.52 0.00 -1.40 7.33 0.00 -1.01 -4.61 120.51 123.34 1iwp n ALA 334 Ca 0.35 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.65 1iwp n ALA 334 Cb 0.78 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.16 1iwp n ALA 334 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1iwp n ASN 335 N 5.65 -4.75 -1.02 0.00 3.02 -1.26 0.55 115.26 117.44 1iwp n ASN 335 Ca 0.00 0.36 0.11 0.00 -0.03 0.00 0.00 54.58 55.02 1iwp n ASN 335 Cb 0.00 -4.01 0.17 0.00 -0.61 0.00 0.00 39.78 35.33 1iwp n ASN 335 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1iwp n ASP 336 N -0.91 3.21 -3.86 6.41 5.75 -1.26 -3.26 116.55 122.62 1iwp n ASP 336 Ca -0.15 -1.95 -0.12 0.00 -0.01 0.00 0.00 54.79 52.56 1iwp n ASP 336 Cb 0.56 -0.17 -0.14 0.00 -1.03 0.00 0.00 41.12 40.34 1iwp n ASP 336 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 1iwp s GLN 337 N -1.54 0.03 0.34 0.11 -1.52 -1.26 -3.98 119.66 111.84 1iwp s GLN 337 Ca 0.33 0.04 -0.28 0.00 -1.95 0.00 0.00 55.36 53.50 1iwp s GLN 337 Cb 0.20 0.01 -0.10 0.00 -0.22 0.00 0.00 33.01 32.91 1iwp s GLN 337 CO 0.29 -0.01 1.28 0.95 -0.25 0.00 0.00 175.29 177.55 1iwp s THR 338 N 0.02 2.80 0.00 -0.19 -4.23 -0.82 -3.49 115.64 109.74 1iwp s THR 338 Ca -0.00 0.79 0.00 0.00 -1.18 0.00 0.00 61.69 61.30 1iwp s THR 338 Cb -0.00 -3.49 0.00 0.00 1.34 0.00 0.00 72.50 70.34 1iwp s THR 338 CO -0.00 0.17 0.00 2.22 -0.54 0.00 0.00 174.62 176.47 1iwp n PHE 339 N 0.70 0.00 -4.08 3.99 -1.74 -1.26 -4.54 117.46 110.54 1iwp n PHE 339 Ca 0.01 0.00 -0.13 0.00 -0.56 0.00 0.00 57.45 56.76 1iwp n PHE 339 Cb 0.43 0.00 -0.11 0.00 1.52 0.00 0.00 39.48 41.31 1iwp n PHE 339 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 1iwp s SER 340 N 0.00 0.93 0.00 5.98 0.15 -1.26 -4.72 113.70 114.78 1iwp s SER 340 Ca 0.00 -0.59 0.26 0.00 0.70 0.00 0.00 55.95 56.31 1iwp s SER 340 Cb 0.00 0.04 0.60 0.00 -1.71 0.00 0.00 66.02 64.94 1iwp s SER 340 CO 0.00 -0.22 1.47 1.41 1.20 0.00 0.00 173.24 177.10 1iwp n HIS 341 N 1.32 0.00 -3.73 3.44 8.25 -1.26 -4.88 115.22 118.36 1iwp n HIS 341 Ca -0.22 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 56.88 1iwp n HIS 341 Cb 0.55 -0.22 -0.07 0.00 1.12 0.00 0.00 29.99 31.37 1iwp n HIS 341 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1iwp s SER 342 N -2.85 6.32 0.21 0.41 0.15 -1.26 -4.62 113.70 112.05 1iwp s SER 342 Ca 0.15 0.37 0.00 0.00 0.70 0.00 0.00 55.95 57.17 1iwp s SER 342 Cb 0.18 -2.10 0.16 0.00 -1.71 0.00 0.00 66.02 62.54 1iwp s SER 342 CO 0.64 0.24 1.51 0.44 1.20 0.00 0.00 173.24 177.28 1iwp h ASP 343 N 6.12 0.45 -0.21 5.45 3.32 -1.99 -1.87 116.42 127.68 1iwp h ASP 343 Ca -0.45 -0.26 -0.02 0.00 0.02 0.00 0.00 57.03 56.32 1iwp h ASP 343 Cb 1.18 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.59 1iwp h ASP 343 CO 0.70 0.95 0.06 0.40 -1.72 0.00 0.00 179.24 179.63 1iwp h ILE 344 N 0.30 1.20 -0.23 0.35 2.04 -1.99 -2.34 117.51 116.83 1iwp h ILE 344 Ca -0.01 -0.63 -0.03 0.00 1.00 0.00 0.00 64.86 65.19 1iwp h ILE 344 Cb 1.14 1.22 -0.01 0.00 -0.74 0.00 0.00 36.82 38.43 1iwp h ILE 344 CO 0.10 0.20 0.02 -0.09 0.00 0.00 0.00 178.15 178.38 1iwp h ARG 345 N 0.17 0.40 0.00 2.37 2.43 -1.96 -2.58 114.38 115.21 1iwp h ARG 345 Ca 0.07 -0.12 -0.05 0.00 -0.81 0.00 0.00 59.98 59.07 1iwp h ARG 345 Cb 0.25 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 1iwp h ARG 345 CO -0.00 0.56 -0.24 0.07 -1.51 0.00 0.00 179.97 178.85 1iwp h ARG 346 N 0.19 0.00 -0.13 0.20 0.11 -1.38 -2.52 114.38 110.85 1iwp h ARG 346 Ca 0.07 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 60.06 1iwp h ARG 346 Cb 0.37 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.45 1iwp h ARG 346 CO 0.01 0.24 -0.27 1.15 0.10 0.00 0.00 179.97 181.20 1iwp h THR 347 N 0.00 1.37 -0.95 0.08 2.02 -1.29 -2.72 112.91 111.43 1iwp h THR 347 Ca -0.00 -1.54 0.01 0.00 0.77 0.00 0.00 66.41 65.65 1iwp h THR 347 Cb 0.54 2.04 -0.05 0.00 -1.74 0.00 0.00 68.15 68.94 1iwp h THR 347 CO 0.03 0.45 0.62 0.00 0.37 0.00 0.00 175.52 177.00 1iwp h ALA 348 N 0.54 1.20 -0.60 6.16 0.00 -1.25 -0.55 119.26 124.77 1iwp h ALA 348 Ca 0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1iwp h ALA 348 Cb 0.86 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1iwp h ALA 348 CO 0.06 0.61 0.33 -0.09 0.00 0.00 0.00 179.25 180.15 1iwp h ARG 349 N 1.29 0.82 0.14 0.00 1.12 -1.41 -3.08 114.38 113.26 1iwp h ARG 349 Ca 0.35 -0.08 -0.30 0.00 -1.11 0.00 0.00 59.98 58.83 1iwp h ARG 349 Cb -0.14 -0.17 0.00 0.00 -0.01 0.00 0.00 29.97 29.66 1iwp h ARG 349 CO -0.07 0.61 -1.44 1.15 -3.11 0.00 0.00 179.97 177.11 1iwp h THR 350 N 0.83 1.28 -0.04 0.20 2.02 -1.08 -3.31 112.91 112.82 1iwp h THR 350 Ca 0.21 -2.87 0.01 0.00 0.77 0.00 0.00 66.41 64.54 1iwp h THR 350 Cb 0.02 2.85 -0.00 0.00 -1.74 0.00 0.00 68.15 69.28 1iwp h THR 350 CO -0.03 0.84 0.04 -0.07 0.37 0.00 0.00 175.52 176.67 1iwp h LEU 351 N 0.08 0.00 -1.00 2.58 4.07 -1.03 -0.51 115.31 119.49 1iwp h LEU 351 Ca -0.21 0.00 0.15 0.00 0.08 0.00 0.00 57.88 57.90 1iwp h LEU 351 Cb 2.02 0.00 -0.09 0.00 1.08 0.00 0.00 40.66 43.67 1iwp h LEU 351 CO 0.19 0.00 0.62 0.24 -1.08 0.00 0.00 178.44 178.41 1iwp h MET 352 N 0.00 0.86 0.02 1.13 2.86 -1.63 -0.91 114.93 117.26 1iwp h MET 352 Ca 0.02 -0.05 -0.36 0.00 -2.06 0.00 0.00 59.70 57.24 1iwp h MET 352 Cb 0.09 -0.19 -0.06 0.00 0.06 0.00 0.00 31.60 31.50 1iwp h MET 352 CO -0.00 0.57 -2.26 1.04 1.06 0.00 0.00 176.91 177.32 1iwp n GLN 353 N -4.69 0.68 -0.10 1.72 3.00 -0.61 -4.42 117.38 112.96 1iwp n GLN 353 Ca 0.21 0.14 -0.10 0.00 -0.01 0.00 0.00 57.00 57.23 1iwp n GLN 353 Cb 0.45 -1.59 -0.03 0.00 0.00 0.00 0.00 30.24 29.07 1iwp n GLN 353 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.06 179.04 1iwp h MET 354 N 0.01 0.49 0.35 -1.09 4.05 -0.91 0.20 114.93 118.03 1iwp h MET 354 Ca -0.50 -0.12 -0.00 0.00 -0.28 0.00 0.00 59.70 58.80 1iwp h MET 354 Cb 2.05 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 32.77 1iwp h MET 354 CO 0.00 0.55 -0.35 -0.07 0.23 0.00 0.00 176.91 177.28 1iwp h LEU 355 N 0.33 -0.95 -0.35 3.39 3.38 -1.41 -3.04 115.31 116.67 1iwp h LEU 355 Ca 0.10 0.08 -0.19 0.00 0.09 0.00 0.00 57.88 57.96 1iwp h LEU 355 Cb 0.28 0.32 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1iwp h LEU 355 CO 0.00 -0.49 -0.65 1.55 0.09 0.00 0.00 178.44 178.94 1iwp h PRO 356 N -0.73 0.66 0.00 1.13 0.13 -1.77 -3.48 132.00 127.94 1iwp h PRO 356 Ca -0.02 -0.47 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1iwp h PRO 356 Cb 0.66 0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.87 1iwp h PRO 356 CO -0.06 1.09 0.00 0.41 -0.23 0.00 0.00 178.00 179.21 1iwp n GLY 357 N 0.46 -0.02 3.46 1.56 0.00 0.70 -4.46 105.19 106.88 1iwp n GLY 357 Ca -0.05 -1.34 -0.23 0.00 0.00 0.00 0.00 46.02 44.41 1iwp n GLY 357 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1iwp s THR 358 N -0.99 0.88 0.34 2.61 -4.23 -1.25 -4.51 115.64 108.48 1iwp s THR 358 Ca 0.00 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 58.57 1iwp s THR 358 Cb 0.00 -2.59 0.31 0.00 1.34 0.00 0.00 72.50 71.55 1iwp s THR 358 CO 0.00 0.00 1.88 0.44 -0.54 0.00 0.00 174.62 176.40 1iwp h ASP 359 N 2.01 0.72 -2.59 3.99 3.32 -1.85 -3.11 116.42 118.92 1iwp h ASP 359 Ca -0.38 0.03 -0.47 0.00 0.02 0.00 0.00 57.03 56.23 1iwp h ASP 359 Cb 1.26 -0.11 -0.38 0.00 0.22 0.00 0.00 39.33 40.31 1iwp h ASP 359 CO 0.64 0.40 -0.74 -0.36 -1.72 0.00 0.00 179.24 177.45 1iwp s PHE 360 N -5.74 0.11 0.20 4.55 0.40 -1.03 -0.13 117.98 116.33 1iwp s PHE 360 Ca -0.10 -0.71 -0.12 0.00 -0.60 0.00 0.00 56.93 55.39 1iwp s PHE 360 Cb 0.21 -0.77 0.23 0.00 0.51 0.00 0.00 43.02 43.21 1iwp s PHE 360 CO 0.79 -0.86 1.68 0.82 0.70 0.00 0.00 175.22 178.35 1iwp h ILE 361 N 6.28 0.58 -3.31 0.64 2.04 -1.38 -0.30 117.51 122.06 1iwp h ILE 361 Ca -0.16 -0.05 -0.65 0.00 1.00 0.00 0.00 64.86 65.00 1iwp h ILE 361 Cb 1.03 0.44 -0.25 0.00 -0.74 0.00 0.00 36.82 37.30 1iwp h ILE 361 CO 0.40 0.02 -0.73 -0.36 0.00 0.00 0.00 178.15 177.49 1iwp s PHE 362 N -6.16 2.89 -0.69 1.37 0.40 -1.26 -4.31 117.98 110.23 1iwp s PHE 362 Ca -0.13 -0.51 -0.01 0.00 -0.60 0.00 0.00 56.93 55.67 1iwp s PHE 362 Cb 0.17 -1.89 0.42 0.00 0.51 0.00 0.00 43.02 42.23 1iwp s PHE 362 CO 0.73 -0.15 1.92 -1.13 0.70 0.00 0.00 175.22 177.29 1iwp n SER 363 N 3.53 7.28 0.00 1.36 3.41 0.19 -0.54 113.62 128.84 1iwp n SER 363 Ca -0.18 -3.80 0.00 0.00 -0.26 0.00 0.00 58.87 54.63 1iwp n SER 363 Cb 0.53 -0.93 0.00 0.00 -0.26 0.00 0.00 64.21 63.55 1iwp n SER 363 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1iwp n GLY 364 N -0.75 0.00 3.73 5.00 0.00 -0.70 -4.72 105.19 107.74 1iwp n GLY 364 Ca 0.57 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.18 1iwp n GLY 364 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1iwp s TYR 365 N 0.00 3.12 -0.31 1.61 6.14 0.15 -4.32 117.35 123.75 1iwp s TYR 365 Ca 0.00 0.97 -0.29 0.00 0.64 0.00 0.00 57.07 58.39 1iwp s TYR 365 Cb 0.00 -3.77 0.01 0.00 0.42 0.00 0.00 41.96 38.62 1iwp s TYR 365 CO 0.00 -2.59 1.24 0.45 0.64 0.00 0.00 175.55 175.29 1iwp s SER 366 N 0.66 6.74 -0.00 4.32 0.15 -0.35 0.45 113.70 125.66 1iwp s SER 366 Ca 0.62 1.16 0.05 0.00 0.70 0.00 0.00 55.95 58.48 1iwp s SER 366 Cb -0.40 -2.54 0.15 0.00 -1.71 0.00 0.00 66.02 61.52 1iwp s SER 366 CO 0.37 -1.03 1.09 0.00 1.20 0.00 0.00 173.24 174.88 1iwp n ALA 367 N 7.42 2.50 -2.39 5.45 0.00 -0.50 -0.43 120.51 132.56 1iwp n ALA 367 Ca 0.14 -0.31 -0.11 0.00 0.00 0.00 0.00 53.44 53.16 1iwp n ALA 367 Cb 0.47 -0.99 -0.10 0.00 0.00 0.00 0.00 19.45 18.82 1iwp n ALA 367 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1iwp s VAL 368 N -1.74 0.60 0.56 0.00 -7.23 -1.26 -4.65 120.40 106.67 1iwp s VAL 368 Ca 0.11 -1.64 -0.20 0.00 -1.81 0.00 0.00 61.98 58.44 1iwp s VAL 368 Cb 0.06 -1.31 -0.06 0.00 0.56 0.00 0.00 36.38 35.63 1iwp s VAL 368 CO 0.07 -0.72 0.98 -0.81 -0.31 0.00 0.00 175.10 174.31 1iwp n PRO 369 N 0.47 1.04 0.28 4.82 -0.04 -1.26 -3.12 135.00 137.18 1iwp n PRO 369 Ca -0.16 0.39 0.17 0.00 -0.04 0.00 0.00 63.50 63.87 1iwp n PRO 369 Cb 0.59 -2.15 0.93 0.00 -0.04 0.00 0.00 33.50 32.83 1iwp n PRO 369 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1iwp h ASN 370 N 0.77 0.00 0.98 3.54 2.35 -1.95 0.23 115.58 121.51 1iwp h ASN 370 Ca -0.48 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.27 1iwp h ASN 370 Cb 1.36 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.73 1iwp h ASN 370 CO 0.52 0.00 0.00 0.10 -1.65 0.00 0.00 177.43 176.40 1iwp h TYR 371 N 0.00 0.00 -0.00 1.19 -0.00 -2.00 -2.27 116.97 113.88 1iwp h TYR 371 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 1iwp h TYR 371 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.86 1iwp h TYR 371 CO 0.00 0.00 -0.92 -0.25 -0.00 0.00 0.00 178.16 176.99 1iwp n ASP 372 N -2.70 1.11 -4.59 0.10 8.00 0.06 -4.57 116.55 113.96 1iwp n ASP 372 Ca 0.02 -1.04 -0.42 0.00 0.71 0.00 0.00 54.79 54.06 1iwp n ASP 372 Cb 0.29 0.91 -0.03 0.00 -0.02 0.00 0.00 41.12 42.28 1iwp n ASP 372 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1iwp s ASN 373 N -2.94 5.94 0.00 -2.24 3.84 -0.86 -2.29 114.94 116.39 1iwp s ASN 373 Ca 0.09 0.81 0.00 0.00 0.21 0.00 0.00 52.86 53.97 1iwp s ASN 373 Cb 0.16 -2.53 0.00 0.00 -0.55 0.00 0.00 41.25 38.33 1iwp s ASN 373 CO 0.83 -1.76 0.81 0.23 -2.79 0.00 0.00 177.10 174.42 1iwp n MET 374 N 8.52 0.88 -0.71 0.43 2.81 -1.26 -2.00 117.12 125.79 1iwp n MET 374 Ca 0.19 0.00 0.02 0.00 -1.81 0.00 0.00 57.70 56.10 1iwp n MET 374 Cb 0.49 -1.07 0.27 0.00 -0.71 0.00 0.00 33.22 32.19 1iwp n MET 374 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 1iwp n PHE 375 N -0.41 1.47 -2.03 2.03 3.72 -1.26 -4.90 117.46 116.08 1iwp n PHE 375 Ca 0.00 -1.11 -0.10 0.00 -0.05 0.00 0.00 57.45 56.19 1iwp n PHE 375 Cb 0.04 -0.47 -0.01 0.00 -0.94 0.00 0.00 39.48 38.09 1iwp n PHE 375 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1iwp n ALA 376 N -0.48 -0.27 0.00 4.37 0.00 -0.85 -4.79 120.51 118.49 1iwp n ALA 376 Ca 0.30 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.83 1iwp n ALA 376 Cb 1.08 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 19.23 1iwp n ALA 376 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iwp n GLY 377 N -1.14 -0.44 3.85 0.00 0.00 -1.05 -4.57 105.19 101.84 1iwp n GLY 377 Ca -0.12 -1.41 -0.21 0.00 0.00 0.00 0.00 46.02 44.28 1iwp n GLY 377 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1iwp s SER 378 N -1.18 5.46 0.51 1.61 0.15 -1.26 -1.94 113.70 117.06 1iwp s SER 378 Ca 0.00 -0.35 0.22 0.00 0.70 0.00 0.00 55.95 56.52 1iwp s SER 378 Cb 0.00 -1.20 1.36 0.00 -1.71 0.00 0.00 66.02 64.47 1iwp s SER 378 CO 0.00 -0.21 2.09 -1.13 1.20 0.00 0.00 173.24 175.19 1iwp h ASN 379 N 1.33 0.00 -4.47 5.45 -1.24 -1.58 -3.35 115.58 111.72 1iwp h ASN 379 Ca -0.47 0.00 -0.32 0.00 0.71 0.00 0.00 56.30 56.22 1iwp h ASN 379 Cb 1.25 0.00 -0.24 0.00 0.73 0.00 0.00 38.32 40.06 1iwp h ASN 379 CO 0.59 0.10 -0.75 -0.36 -1.29 0.00 0.00 177.43 175.72 1iwp s PHE 380 N -4.54 0.75 0.26 0.67 0.40 -1.26 -4.93 117.98 109.33 1iwp s PHE 380 Ca -0.04 -0.37 0.05 0.00 -0.60 0.00 0.00 56.93 55.96 1iwp s PHE 380 Cb 0.15 -0.45 -0.02 0.00 0.51 0.00 0.00 43.02 43.21 1iwp s PHE 380 CO 0.62 -0.04 0.17 -0.40 0.70 0.00 0.00 175.22 176.28 1iwp n ASP 381 N 1.88 0.00 -0.34 1.36 5.68 -1.26 -1.21 116.55 122.66 1iwp n ASP 381 Ca -0.20 -2.59 0.22 0.00 -0.50 0.00 0.00 54.79 51.72 1iwp n ASP 381 Cb 0.55 1.07 0.44 0.00 -1.14 0.00 0.00 41.12 42.05 1iwp n ASP 381 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1iwp h ALA 382 N 1.69 1.89 0.00 2.12 0.00 -0.69 0.34 119.26 124.61 1iwp h ALA 382 Ca -0.19 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1iwp h ALA 382 Cb 0.88 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1iwp h ALA 382 CO 0.29 -0.47 0.00 0.39 0.00 0.00 0.00 179.25 179.46 1iwp n GLU 383 N -5.00 0.19 0.00 0.00 1.02 -1.26 -1.92 120.64 113.67 1iwp n GLU 383 Ca 0.30 0.46 0.12 0.00 -0.02 0.00 0.00 57.16 58.02 1iwp n GLU 383 Cb 0.90 -1.89 0.25 0.00 -0.02 0.00 0.00 31.44 30.68 1iwp n GLU 383 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1iwp n ASP 384 N -2.25 1.18 -0.26 1.62 8.00 0.12 -4.51 116.55 120.45 1iwp n ASP 384 Ca 0.02 -0.96 0.06 0.00 0.71 0.00 0.00 54.79 54.61 1iwp n ASP 384 Cb 0.20 0.27 0.17 0.00 -0.02 0.00 0.00 41.12 41.74 1iwp n ASP 384 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 1iwp h PHE 385 N 1.28 -0.00 -0.52 1.24 0.04 -1.38 -1.29 116.94 116.31 1iwp h PHE 385 Ca 0.00 0.05 -0.05 0.00 2.80 0.00 0.00 57.97 60.77 1iwp h PHE 385 Cb 0.56 0.12 -0.02 0.00 2.20 0.00 0.00 35.95 38.81 1iwp h PHE 385 CO 0.00 -0.24 0.11 -0.44 -0.60 0.00 0.00 178.31 177.14 1iwp h ASP 386 N 0.12 0.80 -0.82 2.17 3.32 -1.83 -2.36 116.42 117.81 1iwp h ASP 386 Ca 0.43 -0.24 0.01 0.00 0.02 0.00 0.00 57.03 57.25 1iwp h ASP 386 Cb 0.77 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 40.06 1iwp h ASP 386 CO -0.66 0.83 0.54 0.44 -1.72 0.00 0.00 179.24 178.67 1iwp h ASP 387 N 0.72 0.93 -0.85 6.45 3.32 -1.62 -1.58 116.42 123.80 1iwp h ASP 387 Ca 0.16 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.16 1iwp h ASP 387 Cb 0.36 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 39.64 1iwp h ASP 387 CO 0.00 0.67 0.41 0.22 -1.72 0.00 0.00 179.24 178.83 1iwp h TYR 388 N 1.10 1.22 -0.07 4.55 5.03 -1.00 0.24 116.97 128.03 1iwp h TYR 388 Ca 0.31 -0.06 -0.13 0.00 2.58 0.00 0.00 58.73 61.43 1iwp h TYR 388 Cb -0.10 -0.38 -0.01 0.00 1.55 0.00 0.00 36.73 37.78 1iwp h TYR 388 CO -0.02 0.87 -0.55 -0.91 -1.32 0.00 0.00 178.16 176.23 1iwp h ASN 389 N 1.20 0.22 0.19 -2.11 2.35 -1.14 -2.34 115.58 113.97 1iwp h ASN 389 Ca 0.29 -0.12 -0.15 0.00 -0.55 0.00 0.00 56.30 55.77 1iwp h ASN 389 Cb 0.11 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 1iwp h ASN 389 CO -0.04 0.73 -0.58 0.40 -1.65 0.00 0.00 177.43 176.30 1iwp h ILE 390 N 0.15 1.35 -0.34 2.81 2.04 -0.47 -2.23 117.51 120.82 1iwp h ILE 390 Ca -0.00 -1.88 -0.02 0.00 1.00 0.00 0.00 64.86 63.96 1iwp h ILE 390 Cb 1.02 1.89 -0.02 0.00 -0.74 0.00 0.00 36.82 38.98 1iwp h ILE 390 CO 0.08 0.57 0.15 -0.07 0.00 0.00 0.00 178.15 178.88 1iwp h LEU 391 N 0.30 0.46 -0.82 1.44 3.38 -0.29 0.30 115.31 120.08 1iwp h LEU 391 Ca -0.00 -0.15 0.03 0.00 0.09 0.00 0.00 57.88 57.85 1iwp h LEU 391 Cb 1.10 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.68 1iwp h LEU 391 CO 0.10 0.48 0.53 1.56 0.09 0.00 0.00 178.44 181.20 1iwp h GLN 392 N 0.41 1.01 -0.42 1.13 4.20 -1.33 -0.13 115.11 119.98 1iwp h GLN 392 Ca 0.12 -0.06 -0.12 0.00 0.06 0.00 0.00 58.65 58.65 1iwp h GLN 392 Cb 0.15 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 1iwp h GLN 392 CO -0.01 0.67 -0.21 -0.09 -0.67 0.00 0.00 178.83 178.52 1iwp h ARG 393 N 1.04 0.84 -0.01 1.46 2.43 -0.98 0.88 114.38 120.02 1iwp h ARG 393 Ca 0.32 -0.34 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1iwp h ARG 393 Cb -0.01 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.50 1iwp h ARG 393 CO -0.11 0.97 0.00 -0.44 -1.51 0.00 0.00 179.97 178.89 1iwp h ASP 394 N 0.73 0.02 0.03 -3.80 3.32 0.43 -3.29 116.42 113.86 1iwp h ASP 394 Ca 0.10 -0.25 0.00 0.00 0.02 0.00 0.00 57.03 56.90 1iwp h ASP 394 Cb 0.74 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.28 1iwp h ASP 394 CO 0.06 0.27 -0.14 0.18 -1.72 0.00 0.00 179.24 177.89 1iwp n LEU 395 N -4.95 1.95 -3.68 1.55 4.77 -0.14 -4.95 117.00 111.55 1iwp n LEU 395 Ca -0.08 -0.65 -0.23 0.00 -0.03 0.00 0.00 56.01 55.03 1iwp n LEU 395 Cb 0.15 -0.02 0.03 0.00 -2.33 0.00 0.00 43.42 41.25 1iwp n LEU 395 CO 0.33 0.34 -0.07 0.80 -1.33 0.00 0.00 177.39 177.46 1iwp n MET 396 N 0.32 -4.02 -5.09 3.23 0.00 0.23 -4.98 117.12 106.80 1iwp n MET 396 Ca 0.14 0.60 -0.30 0.00 -0.00 0.00 0.00 57.70 58.15 1iwp n MET 396 Cb 0.45 -5.03 -0.17 0.00 0.00 0.00 0.00 33.22 28.47 1iwp n MET 396 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1iwp s VAL 397 N -3.63 1.84 -0.57 1.12 1.01 -0.76 -4.96 120.40 114.44 1iwp s VAL 397 Ca 0.11 -0.92 -0.26 0.00 0.00 0.00 0.00 61.98 60.91 1iwp s VAL 397 Cb -0.03 -1.59 0.04 0.00 0.00 0.00 0.00 36.38 34.80 1iwp s VAL 397 CO 0.82 0.51 1.09 -0.62 0.00 0.00 0.00 175.10 176.90 1iwp s ASP 398 N 0.20 6.39 0.00 3.32 -1.08 -1.26 -4.36 116.67 119.87 1iwp s ASP 398 Ca -0.12 -0.12 0.25 0.00 -0.52 0.00 0.00 52.55 52.04 1iwp s ASP 398 Cb -0.16 -2.50 0.98 0.00 -1.46 0.00 0.00 42.92 39.78 1iwp s ASP 398 CO 0.06 -1.39 1.69 0.61 0.52 0.00 0.00 175.17 176.66 1iwp n GLY 399 N 5.10 0.03 1.96 2.66 0.00 -1.26 -4.90 105.19 108.78 1iwp n GLY 399 Ca 0.05 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1iwp n GLY 399 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iwp n GLY 400 N 1.13 0.51 3.14 -0.02 0.00 -1.26 -4.78 105.19 103.91 1iwp n GLY 400 Ca 0.18 -0.04 -0.13 0.00 0.00 0.00 0.00 46.02 46.03 1iwp n GLY 400 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1iwp s LEU 401 N 0.00 2.38 0.18 0.99 1.43 -1.26 -4.26 118.68 118.15 1iwp s LEU 401 Ca 0.00 -0.78 0.04 0.00 -1.03 0.00 0.00 54.13 52.36 1iwp s LEU 401 Cb 0.00 -0.22 -0.05 0.00 0.03 0.00 0.00 46.19 45.95 1iwp s LEU 401 CO 0.00 -0.29 -0.05 0.00 0.23 0.00 0.00 176.35 176.24 1iwp s ARG 402 N -2.66 1.18 0.47 1.70 1.70 0.66 -4.93 118.95 117.06 1iwp s ARG 402 Ca 0.02 -1.55 -0.20 0.00 -0.47 0.00 0.00 55.73 53.53 1iwp s ARG 402 Cb -0.03 -0.59 -0.09 0.00 -0.57 0.00 0.00 34.95 33.67 1iwp s ARG 402 CO -0.01 -0.01 1.01 -1.25 -1.08 0.00 0.00 175.30 173.95 1iwp s PRO 403 N -3.81 3.95 0.04 3.89 0.04 -1.26 -4.73 135.00 133.11 1iwp s PRO 403 Ca 0.22 1.27 0.03 0.00 0.04 0.00 0.00 61.00 62.57 1iwp s PRO 403 Cb 0.04 -2.12 -0.02 0.00 0.04 0.00 0.00 34.50 32.44 1iwp s PRO 403 CO 0.04 -0.29 -0.10 0.14 0.04 0.00 0.00 177.00 176.84 1iwp s VAL 404 N -2.06 0.71 0.45 -0.36 -7.23 -1.26 -4.99 120.40 105.67 1iwp s VAL 404 Ca 0.65 -0.96 -0.10 0.00 -1.81 0.00 0.00 61.98 59.76 1iwp s VAL 404 Cb -0.14 -0.71 -0.06 0.00 0.56 0.00 0.00 36.38 36.03 1iwp s VAL 404 CO 0.18 -0.20 0.82 0.42 -0.31 0.00 0.00 175.10 176.00 1iwp s THR 405 N -1.06 4.77 0.26 5.32 -4.23 -1.26 -4.96 115.64 114.48 1iwp s THR 405 Ca -0.05 0.64 -0.03 0.00 -1.18 0.00 0.00 61.69 61.07 1iwp s THR 405 Cb -0.08 -3.77 0.17 0.00 1.34 0.00 0.00 72.50 70.16 1iwp s THR 405 CO 0.01 -0.66 1.83 -0.08 -0.54 0.00 0.00 174.62 175.18 1iwp h GLU 406 N 0.89 0.96 0.51 3.99 4.81 -2.01 -2.57 114.58 121.16 1iwp h GLU 406 Ca -0.47 -0.18 -0.02 0.00 -0.13 0.00 0.00 59.36 58.57 1iwp h GLU 406 Cb 1.19 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.40 1iwp h GLU 406 CO 0.63 0.81 -0.49 0.00 -0.73 0.00 0.00 179.01 179.23 1iwp h ALA 407 N 1.31 -1.15 0.00 2.92 0.00 -1.99 0.20 119.26 120.54 1iwp h ALA 407 Ca 0.21 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1iwp h ALA 407 Cb 0.23 0.71 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 1iwp h ALA 407 CO -0.01 -1.18 -0.01 1.05 0.00 0.00 0.00 179.25 179.10 1iwp h GLU 408 N -0.99 0.00 -0.13 0.00 4.11 -1.96 -0.59 114.58 115.01 1iwp h GLU 408 Ca -0.07 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.27 1iwp h GLU 408 Cb 0.86 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.11 1iwp h GLU 408 CO -0.05 0.01 -0.31 1.15 0.07 0.00 0.00 179.01 179.88 1iwp h THR 409 N 0.00 1.37 -0.62 -1.06 2.02 -1.08 -0.17 112.91 113.38 1iwp h THR 409 Ca -0.00 -1.60 -0.00 0.00 0.77 0.00 0.00 66.41 65.58 1iwp h THR 409 Cb 0.02 2.07 -0.03 0.00 -1.74 0.00 0.00 68.15 68.47 1iwp h THR 409 CO 0.00 0.47 0.37 0.40 0.37 0.00 0.00 175.52 177.14 1iwp h ILE 410 N 0.03 1.18 0.54 3.11 2.04 -0.43 0.15 117.51 124.13 1iwp h ILE 410 Ca -0.00 -0.41 -0.03 0.00 1.00 0.00 0.00 64.86 65.42 1iwp h ILE 410 Cb 0.91 0.34 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 1iwp h ILE 410 CO 0.07 0.19 -0.27 0.00 0.00 0.00 0.00 178.15 178.14 1iwp h ALA 411 N 1.19 -0.74 -0.81 1.87 0.00 -1.06 -0.47 119.26 119.25 1iwp h ALA 411 Ca 0.22 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 55.02 1iwp h ALA 411 Cb -0.02 0.30 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 1iwp h ALA 411 CO -0.04 -0.92 0.53 0.97 0.00 0.00 0.00 179.25 179.79 1iwp h ILE 412 N -0.74 1.09 -0.14 0.00 6.09 -0.80 -0.73 117.51 122.28 1iwp h ILE 412 Ca -0.07 -0.32 -0.14 0.00 -1.37 0.00 0.00 64.86 62.95 1iwp h ILE 412 Cb 0.57 0.06 -0.01 0.00 0.47 0.00 0.00 36.82 37.91 1iwp h ILE 412 CO 0.11 0.17 -0.51 0.03 -3.07 0.00 0.00 178.15 174.89 1iwp h ARG 413 N 0.95 0.39 -0.03 2.19 3.08 -0.46 -1.90 114.38 118.59 1iwp h ARG 413 Ca 0.33 -0.23 -0.03 0.00 0.07 0.00 0.00 59.98 60.12 1iwp h ARG 413 Cb 0.12 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.19 1iwp h ARG 413 CO -0.11 0.81 -0.10 0.37 -1.07 0.00 0.00 179.97 179.88 1iwp h GLN 414 N 0.31 0.12 -0.23 0.04 4.15 -0.37 -1.12 115.11 118.02 1iwp h GLN 414 Ca 0.01 -0.09 0.06 0.00 0.77 0.00 0.00 58.65 59.40 1iwp h GLN 414 Cb 1.00 0.01 -0.06 0.00 0.21 0.00 0.00 27.48 28.65 1iwp h GLN 414 CO 0.09 0.71 -0.14 -0.22 -1.93 0.00 0.00 178.83 177.34 1iwp h LYS 415 N -0.44 -0.12 -0.99 1.69 3.64 -1.16 0.89 116.57 120.09 1iwp h LYS 415 Ca -0.00 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.44 1iwp h LYS 415 Cb 0.71 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.50 1iwp h LYS 415 CO 0.02 -0.08 0.64 0.00 -2.27 0.00 0.00 179.45 177.76 1iwp h ALA 416 N 1.05 1.41 -0.48 5.00 0.00 -1.38 0.65 119.26 125.51 1iwp h ALA 416 Ca 0.13 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1iwp h ALA 416 Cb 0.32 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1iwp h ALA 416 CO -0.31 0.46 0.12 0.00 0.00 0.00 0.00 179.25 179.52 1iwp h ALA 417 N 1.46 0.63 -0.38 0.00 0.00 0.41 0.74 119.26 122.11 1iwp h ALA 417 Ca 0.42 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 1iwp h ALA 417 Cb 0.13 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1iwp h ALA 417 CO -0.16 0.32 -0.08 0.00 0.00 0.00 0.00 179.25 179.33 1iwp h ARG 418 N 0.65 0.72 0.01 0.00 3.08 0.19 -1.78 114.38 117.25 1iwp h ARG 418 Ca 0.15 -0.27 0.00 0.00 0.07 0.00 0.00 59.98 59.93 1iwp h ARG 418 Cb 0.32 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.33 1iwp h ARG 418 CO 0.00 0.86 -0.02 0.00 -1.07 0.00 0.00 179.97 179.75 1iwp h ALA 419 N 0.84 -0.02 0.00 0.04 0.00 0.45 1.09 119.26 121.66 1iwp h ALA 419 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1iwp h ALA 419 Cb 0.59 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1iwp h ALA 419 CO 0.03 -0.52 0.00 1.51 0.00 0.00 0.00 179.25 180.28 1iwp n ILE 420 N -5.12 0.94 -0.07 0.00 0.13 0.23 -0.46 119.36 115.02 1iwp n ILE 420 Ca -0.07 0.40 -0.19 0.00 -1.10 0.00 0.00 62.75 61.79 1iwp n ILE 420 Cb 0.05 -1.35 -0.12 0.00 -0.84 0.00 0.00 39.64 37.38 1iwp n ILE 420 CO 0.00 0.00 0.00 -0.61 2.80 0.00 0.00 176.55 178.74 1iwp h GLN 421 N 0.00 0.04 -0.53 9.51 4.15 -0.12 -3.00 115.11 125.16 1iwp h GLN 421 Ca 0.00 -0.08 0.03 0.00 0.77 0.00 0.00 58.65 59.37 1iwp h GLN 421 Cb 0.23 0.03 -0.03 0.00 0.21 0.00 0.00 27.48 27.92 1iwp h GLN 421 CO 0.00 1.04 0.35 0.00 -1.93 0.00 0.00 178.83 178.29 1iwp h ALA 422 N -0.26 1.73 -0.10 3.38 0.00 0.20 -1.64 119.26 122.57 1iwp h ALA 422 Ca -0.24 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 1iwp h ALA 422 Cb 1.30 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 1iwp h ALA 422 CO -0.10 0.22 -0.09 0.28 0.00 0.00 0.00 179.25 179.56 1iwp h VAL 423 N 0.62 1.35 0.00 0.00 2.07 -0.89 -0.86 116.25 118.55 1iwp h VAL 423 Ca 0.21 -1.22 -0.04 0.00 0.82 0.00 0.00 66.70 66.47 1iwp h VAL 423 Cb 0.08 1.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 1iwp h VAL 423 CO -0.05 0.34 -0.19 -0.26 0.02 0.00 0.00 177.57 177.43 1iwp h PHE 424 N -0.17 0.00 -0.02 1.57 -1.00 -1.32 -0.39 116.94 115.60 1iwp h PHE 424 Ca 0.02 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.78 1iwp h PHE 424 Cb 0.59 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.15 1iwp h PHE 424 CO 0.08 0.19 -0.06 -0.09 -1.61 0.00 0.00 178.31 176.83 1iwp h ARG 425 N 0.00 0.08 0.00 1.51 2.43 -1.22 0.49 114.38 117.66 1iwp h ARG 425 Ca -0.00 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.09 1iwp h ARG 425 Cb 0.36 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.92 1iwp h ARG 425 CO 0.03 0.68 -0.10 0.93 -1.51 0.00 0.00 179.97 179.99 1iwp h GLU 426 N -0.51 0.00 -0.61 0.20 4.39 -0.75 -1.97 114.58 115.33 1iwp h GLU 426 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1iwp h GLU 426 Cb 0.68 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.33 1iwp h GLU 426 CO 0.01 0.10 0.00 1.28 -1.16 0.00 0.00 179.01 179.25 1iwp n LEU 427 N -3.62 4.05 -3.79 1.33 4.77 -0.19 -4.97 117.00 114.58 1iwp n LEU 427 Ca -0.02 -2.21 -0.27 0.00 -0.03 0.00 0.00 56.01 53.49 1iwp n LEU 427 Cb 0.23 -0.48 0.02 0.00 -2.33 0.00 0.00 43.42 40.86 1iwp n LEU 427 CO 0.29 0.87 -0.14 0.61 -1.33 0.00 0.00 177.39 177.69 1iwp n GLY 428 N 1.14 -0.54 3.81 -0.72 0.00 -0.74 -4.99 105.19 103.15 1iwp n GLY 428 Ca 0.22 0.27 -0.22 0.00 0.00 0.00 0.00 46.02 46.29 1iwp n GLY 428 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1iwp s LEU 429 N -6.70 3.49 -0.35 0.99 1.43 0.17 -5.02 118.68 112.69 1iwp s LEU 429 Ca 0.19 -0.58 -0.42 0.00 -1.03 0.00 0.00 54.13 52.28 1iwp s LEU 429 Cb -0.07 -2.06 -0.17 0.00 0.03 0.00 0.00 46.19 43.93 1iwp s LEU 429 CO 0.86 -0.32 1.69 -2.65 0.23 0.00 0.00 176.35 176.16 1iwp n PRO 430 N -1.29 0.75 -1.24 1.29 -0.02 -1.26 -4.67 135.00 128.57 1iwp n PRO 430 Ca -0.02 0.28 -0.38 0.00 -2.02 0.00 0.00 63.50 61.35 1iwp n PRO 430 Cb 0.60 -1.90 0.03 0.00 -0.02 0.00 0.00 33.50 32.22 1iwp n PRO 430 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1iwp n PRO 431 N 4.85 0.12 -3.80 0.52 -0.04 -1.26 -4.95 135.00 130.44 1iwp n PRO 431 Ca 0.28 0.05 -0.30 0.00 -0.04 0.00 0.00 63.50 63.49 1iwp n PRO 431 Cb 0.07 -1.25 -0.14 0.00 -0.04 0.00 0.00 33.50 32.13 1iwp n PRO 431 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1iwp s ILE 432 N -1.95 1.46 1.10 0.52 1.01 -1.26 -5.08 121.20 117.00 1iwp s ILE 432 Ca 0.57 -2.10 -0.12 0.00 0.00 0.00 0.00 60.65 59.00 1iwp s ILE 432 Cb -0.41 -2.06 0.25 0.00 0.01 0.00 0.00 42.46 40.24 1iwp s ILE 432 CO 0.66 -0.74 1.05 0.00 0.00 0.00 0.00 174.94 175.91 1iwp s ALA 433 N 0.93 0.08 -0.58 9.38 0.00 -1.26 -4.81 121.76 125.49 1iwp s ALA 433 Ca 0.13 -0.12 0.25 0.00 0.00 0.00 0.00 51.96 52.21 1iwp s ALA 433 Cb -0.21 -3.23 0.92 0.00 0.00 0.00 0.00 23.12 20.60 1iwp s ALA 433 CO -0.12 -3.48 1.74 -0.25 0.00 0.00 0.00 175.76 173.66 1iwp n ASP 434 N -4.66 0.74 0.19 0.00 9.92 -1.26 -1.83 116.55 119.65 1iwp n ASP 434 Ca 0.04 0.63 0.14 0.00 -0.53 0.00 0.00 54.79 55.07 1iwp n ASP 434 Cb 0.55 -0.81 0.48 0.00 -0.64 0.00 0.00 41.12 40.70 1iwp n ASP 434 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1iwp h GLU 435 N 0.00 0.00 0.01 -1.24 3.07 -1.98 -0.56 114.58 113.88 1iwp h GLU 435 Ca 0.00 0.00 -0.39 0.00 -0.50 0.00 0.00 59.36 58.47 1iwp h GLU 435 Cb 0.52 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.37 1iwp h GLU 435 CO 0.00 0.00 -2.25 0.39 -1.40 0.00 0.00 179.01 175.75 1iwp n GLU 436 N -2.71 0.62 0.02 2.33 1.02 -0.76 -3.22 120.64 117.94 1iwp n GLU 436 Ca 0.03 0.28 -0.10 0.00 -0.02 0.00 0.00 57.16 57.35 1iwp n GLU 436 Cb 0.35 -1.57 -0.04 0.00 -0.02 0.00 0.00 31.44 30.17 1iwp n GLU 436 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1iwp h VAL 437 N -0.59 0.63 -0.54 2.62 2.07 -1.39 0.67 116.25 119.72 1iwp h VAL 437 Ca -0.58 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 66.87 1iwp h VAL 437 Cb 1.69 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 32.07 1iwp h VAL 437 CO -0.24 0.00 0.04 -0.08 0.02 0.00 0.00 177.57 177.31 1iwp h GLU 438 N -0.20 0.89 0.08 1.57 4.22 -1.31 -0.43 114.58 119.40 1iwp h GLU 438 Ca 0.07 -0.24 -0.00 0.00 0.08 0.00 0.00 59.36 59.27 1iwp h GLU 438 Cb 0.30 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1iwp h GLU 438 CO -0.19 0.86 -0.04 0.00 -2.18 0.00 0.00 179.01 177.47 1iwp h ALA 439 N 1.21 -0.10 0.00 2.92 0.00 -1.33 -2.52 119.26 119.43 1iwp h ALA 439 Ca 0.16 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1iwp h ALA 439 Cb 0.44 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1iwp h ALA 439 CO 0.02 -0.45 -0.04 0.00 0.00 0.00 0.00 179.25 178.77 1iwp h ALA 440 N 0.59 1.10 -0.38 0.00 0.00 0.46 -0.86 119.26 120.18 1iwp h ALA 440 Ca -0.01 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 1iwp h ALA 440 Cb 0.27 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1iwp h ALA 440 CO 0.02 0.05 -0.07 1.15 0.00 0.00 0.00 179.25 180.40 1iwp h THR 441 N 0.00 1.27 -0.31 0.00 2.02 -0.63 -3.28 112.91 111.98 1iwp h THR 441 Ca -0.00 -1.13 0.00 0.00 0.77 0.00 0.00 66.41 66.05 1iwp h THR 441 Cb 0.27 1.24 0.00 0.00 -1.74 0.00 0.00 68.15 67.92 1iwp h THR 441 CO 0.01 0.37 0.00 -1.22 0.37 0.00 0.00 175.52 175.05 1iwp n TYR 442 N -4.39 0.41 -1.58 3.16 4.01 -1.04 -4.66 117.16 113.06 1iwp n TYR 442 Ca -0.01 -0.34 -0.30 0.00 -0.16 0.00 0.00 57.90 57.09 1iwp n TYR 442 Cb 0.33 -0.01 0.09 0.00 -0.31 0.00 0.00 39.34 39.45 1iwp n TYR 442 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1iwp s ALA 443 N -1.07 2.23 -0.08 -0.72 0.00 -0.35 -5.01 121.76 116.77 1iwp s ALA 443 Ca 0.26 -0.28 -0.02 0.00 0.00 0.00 0.00 51.96 51.91 1iwp s ALA 443 Cb 0.14 -3.08 -0.04 0.00 0.00 0.00 0.00 23.12 20.14 1iwp s ALA 443 CO 0.20 -1.77 -0.09 1.58 0.00 0.00 0.00 175.76 175.67 1iwp n HIS 444 N -3.45 0.00 -3.88 0.00 -0.00 -1.26 -5.03 115.22 101.60 1iwp n HIS 444 Ca 0.07 0.00 -0.05 0.00 0.46 0.00 0.00 57.72 58.20 1iwp n HIS 444 Cb 0.57 -0.29 -0.02 0.00 -0.12 0.00 0.00 29.99 30.14 1iwp n HIS 444 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1iwp n GLY 445 N 2.72 3.24 0.00 1.57 0.00 -1.26 -4.31 105.19 107.14 1iwp n GLY 445 Ca -0.15 -1.57 0.04 0.00 0.00 0.00 0.00 46.02 44.33 1iwp n GLY 445 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1iwp n SER 446 N -2.27 0.00 0.22 1.61 3.41 -1.26 -1.94 113.62 113.39 1iwp n SER 446 Ca 0.01 -0.04 0.11 0.00 -0.26 0.00 0.00 58.87 58.69 1iwp n SER 446 Cb 0.17 -0.13 0.30 0.00 -0.26 0.00 0.00 64.21 64.29 1iwp n SER 446 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1iwp h ASN 447 N 0.00 0.00 -0.39 4.04 2.35 -2.01 -2.87 115.58 116.69 1iwp h ASN 447 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1iwp h ASN 447 Cb 0.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.40 1iwp h ASN 447 CO 0.00 0.12 0.00 -0.62 -1.65 0.00 0.00 177.43 175.28 1iwp n GLU 448 N -3.17 2.51 -3.70 0.81 4.71 -0.82 -4.91 120.64 116.07 1iwp n GLU 448 Ca 0.02 -2.28 -0.37 0.00 -0.01 0.00 0.00 57.16 54.53 1iwp n GLU 448 Cb 0.50 -1.52 -0.11 0.00 -1.01 0.00 0.00 31.44 29.31 1iwp n GLU 448 CO 0.00 0.00 0.00 -1.64 0.09 0.00 0.00 177.13 175.58 1iwp s MET 449 N -1.49 3.93 0.38 3.49 -1.94 -1.09 -4.63 119.30 117.95 1iwp s MET 449 Ca 0.39 -0.34 -0.28 0.00 -1.71 0.00 0.00 55.69 53.75 1iwp s MET 449 Cb 0.23 -3.49 -0.11 0.00 2.01 0.00 0.00 34.83 33.47 1iwp s MET 449 CO 0.32 -0.05 1.47 -1.25 -0.01 0.00 0.00 175.02 175.50 1iwp s PRO 450 N 1.32 4.10 0.99 2.03 0.04 -1.26 -4.94 135.00 137.28 1iwp s PRO 450 Ca 0.06 2.53 -0.11 0.00 0.04 0.00 0.00 61.00 63.53 1iwp s PRO 450 Cb -0.15 -2.95 0.18 0.00 0.04 0.00 0.00 34.50 31.62 1iwp s PRO 450 CO 0.06 -0.53 1.07 -0.35 0.04 0.00 0.00 177.00 177.29 1iwp n PRO 451 N 0.43 -1.01 -4.21 0.56 -0.04 -1.26 -5.04 135.00 124.43 1iwp n PRO 451 Ca 0.01 -0.24 -0.18 0.00 -0.04 0.00 0.00 63.50 63.05 1iwp n PRO 451 Cb 0.40 -2.29 -0.12 0.00 -0.04 0.00 0.00 33.50 31.44 1iwp n PRO 451 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1iwp s ARG 452 N -4.51 0.83 -0.60 0.54 0.52 -1.26 -5.05 118.95 109.40 1iwp s ARG 452 Ca 0.67 -0.88 -0.26 0.00 -0.52 0.00 0.00 55.73 54.74 1iwp s ARG 452 Cb -0.23 -0.82 -0.06 0.00 0.52 0.00 0.00 34.95 34.36 1iwp s ARG 452 CO 0.60 0.19 2.16 1.21 0.02 0.00 0.00 175.30 179.48 1iwp s ASN 453 N -1.54 4.75 0.07 0.23 3.84 -1.26 -4.80 114.94 116.23 1iwp s ASN 453 Ca -0.01 0.54 -0.36 0.00 0.21 0.00 0.00 52.86 53.23 1iwp s ASN 453 Cb -0.09 -2.52 -0.19 0.00 -0.55 0.00 0.00 41.25 37.90 1iwp s ASN 453 CO 0.02 -2.79 1.55 0.58 -2.79 0.00 0.00 177.10 173.68 1iwp h VAL 454 N 7.35 0.00 -0.75 -5.21 2.07 -1.99 -2.59 116.25 115.13 1iwp h VAL 454 Ca -0.19 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.50 1iwp h VAL 454 Cb 1.18 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.82 1iwp h VAL 454 CO 1.17 0.00 0.03 0.58 0.02 0.00 0.00 177.57 179.37 1iwp h VAL 455 N -1.18 0.36 0.00 2.57 2.07 -1.98 1.15 116.25 119.24 1iwp h VAL 455 Ca -0.10 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.38 1iwp h VAL 455 Cb 0.95 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1iwp h VAL 455 CO 0.09 0.02 0.00 -0.08 0.02 0.00 0.00 177.57 177.62 1iwp h GLU 456 N 0.12 0.00 0.08 1.57 4.81 -1.91 -1.77 114.58 117.47 1iwp h GLU 456 Ca 0.42 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 59.33 1iwp h GLU 456 Cb 0.74 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.09 1iwp h GLU 456 CO -0.64 0.00 -1.75 -0.25 -0.73 0.00 0.00 179.01 175.64 1iwp n ASP 457 N -2.50 2.03 0.02 1.04 10.43 0.38 -3.09 116.55 124.86 1iwp n ASP 457 Ca -0.01 0.29 0.05 0.00 2.57 0.00 0.00 54.79 57.69 1iwp n ASP 457 Cb 0.10 -0.90 0.22 0.00 1.84 0.00 0.00 41.12 42.38 1iwp n ASP 457 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 1iwp n LEU 458 N -3.83 0.07 -0.07 0.64 4.32 0.01 -1.16 117.00 116.98 1iwp n LEU 458 Ca -0.32 0.52 -0.16 0.00 -0.02 0.00 0.00 56.01 56.03 1iwp n LEU 458 Cb 0.92 -0.52 -0.14 0.00 -1.62 0.00 0.00 43.42 42.06 1iwp n LEU 458 CO 0.34 -0.40 -1.06 -1.20 -1.22 0.00 0.00 177.39 173.85 1iwp n SER 459 N -1.59 1.48 0.11 -1.43 7.64 -0.73 -3.22 113.62 115.88 1iwp n SER 459 Ca 0.02 0.05 -0.02 0.00 1.01 0.00 0.00 58.87 59.94 1iwp n SER 459 Cb 0.10 -0.21 0.23 0.00 -1.01 0.00 0.00 64.21 63.33 1iwp n SER 459 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1iwp h ALA 460 N 0.35 1.12 -0.06 -0.43 0.00 -1.26 -1.67 119.26 117.31 1iwp h ALA 460 Ca -0.49 -0.42 -0.07 0.00 0.00 0.00 0.00 54.91 53.93 1iwp h ALA 460 Cb 2.02 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.73 1iwp h ALA 460 CO 0.00 0.59 -0.23 -0.24 0.00 0.00 0.00 179.25 179.37 1iwp h VAL 461 N 0.17 1.45 -0.39 0.00 3.04 -1.30 0.18 116.25 119.39 1iwp h VAL 461 Ca 0.01 -1.66 0.00 0.00 -1.01 0.00 0.00 66.70 64.04 1iwp h VAL 461 Cb 0.83 2.37 -0.02 0.00 -2.01 0.00 0.00 31.29 32.46 1iwp h VAL 461 CO 0.06 0.47 0.24 -0.08 -1.01 0.00 0.00 177.57 177.26 1iwp h GLU 462 N -0.27 0.51 0.00 4.17 4.81 -1.51 0.10 114.58 122.40 1iwp h GLU 462 Ca -0.01 -0.03 -0.19 0.00 -0.13 0.00 0.00 59.36 58.99 1iwp h GLU 462 Cb 0.88 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 30.12 1iwp h GLU 462 CO 0.05 0.35 -1.08 1.49 -0.73 0.00 0.00 179.01 179.08 1iwp h GLU 463 N 0.53 0.00 -0.22 1.92 4.57 -1.28 -2.99 114.58 117.12 1iwp h GLU 463 Ca 0.14 0.00 -0.16 0.00 -1.18 0.00 0.00 59.36 58.16 1iwp h GLU 463 Cb -0.04 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.54 1iwp h GLU 463 CO -0.03 0.63 -0.54 1.98 -1.18 0.00 0.00 179.01 179.88 1iwp h MET 464 N 0.00 0.63 0.00 1.92 4.05 0.24 -1.82 114.93 119.96 1iwp h MET 464 Ca -0.09 -0.39 0.00 0.00 -0.28 0.00 0.00 59.70 58.94 1iwp h MET 464 Cb 1.68 0.04 0.00 0.00 -0.80 0.00 0.00 31.60 32.52 1iwp h MET 464 CO 0.09 1.01 0.00 0.52 0.23 0.00 0.00 176.91 178.75 1iwp h MET 465 N 0.49 0.00 0.12 0.39 2.86 -0.89 -2.71 114.93 115.19 1iwp h MET 465 Ca 0.01 0.00 -0.29 0.00 -2.06 0.00 0.00 59.70 57.37 1iwp h MET 465 Cb 1.09 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.75 1iwp h MET 465 CO 0.11 0.00 -1.39 0.87 1.06 0.00 0.00 176.91 177.56 1iwp h LYS 466 N 0.00 0.24 0.00 1.72 1.57 -1.33 -3.11 116.57 115.66 1iwp h LYS 466 Ca 0.00 -0.42 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 1iwp h LYS 466 Cb 0.67 0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.14 1iwp h LYS 466 CO 0.00 1.14 0.00 0.54 -0.57 0.00 0.00 179.45 180.56 1iwp n ARG 467 N -3.47 0.62 -3.84 3.15 1.74 -0.71 -4.85 116.66 109.29 1iwp n ARG 467 Ca -0.12 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 56.71 1iwp n ARG 467 Cb 1.03 -1.28 0.01 0.00 -1.02 0.00 0.00 32.46 31.20 1iwp n ARG 467 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1iwp n ASN 468 N -0.78 -1.57 -4.76 0.55 3.02 -1.17 -4.91 115.26 105.64 1iwp n ASN 468 Ca 0.08 -0.88 -0.41 0.00 -0.03 0.00 0.00 54.58 53.34 1iwp n ASN 468 Cb 0.04 -3.64 -0.03 0.00 -0.61 0.00 0.00 39.78 35.54 1iwp n ASN 468 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1iwp s ILE 469 N -3.69 2.89 0.42 2.41 -1.09 -1.11 -5.02 121.20 116.02 1iwp s ILE 469 Ca 0.15 0.85 0.04 0.00 -2.23 0.00 0.00 60.65 59.45 1iwp s ILE 469 Cb -0.07 -3.54 -0.02 0.00 -1.58 0.00 0.00 42.46 37.24 1iwp s ILE 469 CO 0.85 0.18 0.13 0.42 -1.23 0.00 0.00 174.94 175.29 1iwp s THR 470 N -0.81 0.58 0.37 2.92 -4.23 -1.26 -4.96 115.64 108.25 1iwp s THR 470 Ca 0.51 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 59.10 1iwp s THR 470 Cb -0.38 -2.30 0.31 0.00 1.34 0.00 0.00 72.50 71.47 1iwp s THR 470 CO 0.48 0.00 1.93 1.23 -0.54 0.00 0.00 174.62 177.72 1iwp h GLY 471 N 1.73 0.95 1.26 3.99 0.00 -0.77 -0.86 103.07 109.37 1iwp h GLY 471 Ca -0.35 -0.28 -0.03 0.00 0.00 0.00 0.00 47.33 46.67 1iwp h GLY 471 CO 0.56 0.16 0.28 1.41 0.00 0.00 0.00 176.54 178.95 1iwp h LEU 472 N 0.67 0.86 -1.47 3.11 3.38 -1.85 0.15 115.31 120.16 1iwp h LEU 472 Ca 0.35 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.19 1iwp h LEU 472 Cb 0.47 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1iwp h LEU 472 CO -0.13 0.76 0.14 0.44 0.09 0.00 0.00 178.44 179.75 1iwp h ASP 473 N 0.94 0.45 -0.25 -0.43 3.32 -1.55 0.26 116.42 119.15 1iwp h ASP 473 Ca 0.22 -0.04 -0.11 0.00 0.02 0.00 0.00 57.03 57.12 1iwp h ASP 473 Cb 0.15 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.59 1iwp h ASP 473 CO -0.02 0.41 -0.27 0.40 -1.72 0.00 0.00 179.24 178.04 1iwp h ILE 474 N 0.50 1.31 -0.22 0.35 1.08 -0.97 -1.58 117.51 117.99 1iwp h ILE 474 Ca 0.13 -1.44 0.04 0.00 -0.39 0.00 0.00 64.86 63.19 1iwp h ILE 474 Cb 0.10 1.66 -0.04 0.00 -3.07 0.00 0.00 36.82 35.47 1iwp h ILE 474 CO -0.01 0.45 -0.04 0.58 -0.69 0.00 0.00 178.15 178.44 1iwp h VAL 475 N 0.35 0.80 -0.27 1.67 2.07 0.31 -1.67 116.25 119.50 1iwp h VAL 475 Ca 0.04 -0.01 0.03 0.00 0.82 0.00 0.00 66.70 67.58 1iwp h VAL 475 Cb 0.84 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 1iwp h VAL 475 CO 0.07 0.00 0.07 1.23 0.02 0.00 0.00 177.57 178.96 1iwp h GLY 476 N 0.02 0.32 0.45 2.17 0.00 -0.42 -1.17 103.07 104.44 1iwp h GLY 476 Ca 0.11 -0.04 0.06 0.00 0.00 0.00 0.00 47.33 47.46 1iwp h GLY 476 CO -0.21 0.01 -0.06 0.00 0.00 0.00 0.00 176.54 176.28 1iwp h ALA 477 N 1.19 0.20 -0.07 3.60 0.00 -0.90 0.91 119.26 124.18 1iwp h ALA 477 Ca 0.12 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 1iwp h ALA 477 Cb 0.11 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1iwp h ALA 477 CO -0.15 -0.46 -0.10 -0.07 0.00 0.00 0.00 179.25 178.47 1iwp h LEU 478 N 0.01 0.09 -0.17 0.00 3.38 -1.09 -2.45 115.31 115.07 1iwp h LEU 478 Ca 0.14 -0.01 -0.20 0.00 0.09 0.00 0.00 57.88 57.90 1iwp h LEU 478 Cb 0.20 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 40.94 1iwp h LEU 478 CO -0.28 0.21 -0.66 -1.28 0.09 0.00 0.00 178.44 176.51 1iwp h SER 479 N 0.10 0.88 0.37 -0.43 0.87 0.11 0.16 113.55 115.60 1iwp h SER 479 Ca 0.02 -0.61 0.00 0.00 -1.23 0.00 0.00 61.79 59.97 1iwp h SER 479 Cb 0.24 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 61.95 1iwp h SER 479 CO 0.01 1.34 0.00 0.54 -0.53 0.00 0.00 176.83 178.20 1iwp n ARG 480 N -4.03 0.54 -0.43 2.24 1.74 0.17 -3.23 116.66 113.66 1iwp n ARG 480 Ca -0.07 0.02 0.06 0.00 -0.77 0.00 0.00 57.85 57.09 1iwp n ARG 480 Cb 0.69 -1.50 0.20 0.00 -1.02 0.00 0.00 32.46 30.82 1iwp n ARG 480 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1iwp n SER 481 N -1.20 2.69 0.00 0.55 3.41 -0.96 -4.96 113.62 113.15 1iwp n SER 481 Ca 0.15 -3.37 0.00 0.00 -0.26 0.00 0.00 58.87 55.40 1iwp n SER 481 Cb 0.18 -0.53 0.00 0.00 -0.26 0.00 0.00 64.21 63.61 1iwp n SER 481 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1iwp n GLY 482 N -1.06 1.99 2.38 5.00 0.00 -1.20 -4.89 105.19 107.41 1iwp n GLY 482 Ca 0.22 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.98 1iwp n GLY 482 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1iwp n PHE 483 N -2.00 1.39 -0.05 1.61 3.72 0.56 -4.65 117.46 118.04 1iwp n PHE 483 Ca 0.00 -1.98 -0.08 0.00 -0.05 0.00 0.00 57.45 55.34 1iwp n PHE 483 Cb 0.00 -1.52 -0.02 0.00 -0.94 0.00 0.00 39.48 37.00 1iwp n PHE 483 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 1iwp h GLU 484 N 3.24 -0.05 -0.79 -1.08 4.57 -1.81 0.45 114.58 119.11 1iwp h GLU 484 Ca 0.40 0.00 0.14 0.00 -1.18 0.00 0.00 59.36 58.72 1iwp h GLU 484 Cb 0.83 0.01 -0.09 0.00 -0.16 0.00 0.00 28.75 29.34 1iwp h GLU 484 CO 0.83 -0.03 0.37 0.38 -1.18 0.00 0.00 179.01 179.38 1iwp h ASP 485 N -0.05 0.41 0.46 1.04 2.03 -1.91 0.82 116.42 119.21 1iwp h ASP 485 Ca 0.11 0.10 -0.22 0.00 -0.73 0.00 0.00 57.03 56.30 1iwp h ASP 485 Cb 0.22 0.04 -0.00 0.00 -0.83 0.00 0.00 39.33 38.76 1iwp h ASP 485 CO -0.26 0.17 -0.93 0.40 -1.03 0.00 0.00 179.24 177.59 1iwp h ILE 486 N 0.54 1.45 -0.81 4.15 2.04 -1.76 -1.99 117.51 121.12 1iwp h ILE 486 Ca 0.43 -2.55 0.02 0.00 1.00 0.00 0.00 64.86 63.76 1iwp h ILE 486 Cb 0.62 2.47 -0.04 0.00 -0.74 0.00 0.00 36.82 39.12 1iwp h ILE 486 CO -0.37 0.75 0.53 0.00 0.00 0.00 0.00 178.15 179.06 1iwp h ALA 487 N 0.83 1.04 -0.36 1.87 0.00 0.17 -1.81 119.26 121.00 1iwp h ALA 487 Ca -0.07 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1iwp h ALA 487 Cb 1.57 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1iwp h ALA 487 CO 0.15 0.40 0.03 1.03 0.00 0.00 0.00 179.25 180.86 1iwp h SER 488 N 1.06 0.59 -0.39 0.00 0.87 -0.78 -2.36 113.55 112.54 1iwp h SER 488 Ca 0.31 -0.28 0.04 0.00 -1.23 0.00 0.00 61.79 60.63 1iwp h SER 488 Cb -0.07 -0.16 -0.04 0.00 -0.44 0.00 0.00 62.40 61.69 1iwp h SER 488 CO -0.08 0.73 0.16 0.78 -0.53 0.00 0.00 176.83 177.88 1iwp h ASN 489 N 0.44 0.19 -0.64 6.23 2.35 -0.76 0.14 115.58 123.53 1iwp h ASN 489 Ca 0.11 0.04 -0.03 0.00 -0.55 0.00 0.00 56.30 55.86 1iwp h ASN 489 Cb 0.40 0.01 -0.03 0.00 0.05 0.00 0.00 38.32 38.75 1iwp h ASN 489 CO 0.01 0.15 0.27 0.40 -1.65 0.00 0.00 177.43 176.61 1iwp h ILE 490 N 0.33 1.23 -0.96 2.81 2.04 -1.32 -1.06 117.51 120.58 1iwp h ILE 490 Ca 0.18 -0.71 0.02 0.00 1.00 0.00 0.00 64.86 65.35 1iwp h ILE 490 Cb 0.13 0.51 -0.05 0.00 -0.74 0.00 0.00 36.82 36.67 1iwp h ILE 490 CO -0.16 0.28 0.64 0.25 0.00 0.00 0.00 178.15 179.15 1iwp h LEU 491 N 0.89 1.09 -1.45 1.44 5.85 -0.76 0.28 115.31 122.65 1iwp h LEU 491 Ca 0.21 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.89 1iwp h LEU 491 Cb 0.18 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 40.94 1iwp h LEU 491 CO -0.02 0.78 -0.08 0.78 -0.34 0.00 0.00 178.44 179.56 1iwp h ASN 492 N 1.28 0.00 0.08 1.25 2.35 -0.06 0.26 115.58 120.74 1iwp h ASN 492 Ca 0.36 0.00 -0.29 0.00 -0.55 0.00 0.00 56.30 55.82 1iwp h ASN 492 Cb -0.11 0.00 0.03 0.00 0.05 0.00 0.00 38.32 38.28 1iwp h ASN 492 CO -0.09 0.08 -1.16 0.24 -1.65 0.00 0.00 177.43 174.86 1iwp h MET 493 N 0.00 0.66 -0.05 0.81 2.86 0.20 -3.18 114.93 116.23 1iwp h MET 493 Ca -0.00 -0.80 -0.14 0.00 -2.06 0.00 0.00 59.70 56.71 1iwp h MET 493 Cb 0.55 0.25 -0.01 0.00 0.06 0.00 0.00 31.60 32.44 1iwp h MET 493 CO 0.01 1.36 -0.58 -0.07 1.06 0.00 0.00 176.91 178.68 1iwp h LEU 494 N 0.33 0.19 -1.53 1.22 3.38 -0.38 -2.76 115.31 115.76 1iwp h LEU 494 Ca -0.16 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1iwp h LEU 494 Cb 1.82 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.51 1iwp h LEU 494 CO 0.22 0.73 0.00 0.03 0.09 0.00 0.00 178.44 179.52 1iwp h ARG 495 N 0.13 0.00 0.00 1.13 3.08 -0.51 -1.74 114.38 116.47 1iwp h ARG 495 Ca -0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1iwp h ARG 495 Cb 1.07 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.11 1iwp h ARG 495 CO 0.09 0.00 -0.08 1.96 -1.07 0.00 0.00 179.97 180.87 1iwp h GLN 496 N 0.00 0.00 -0.22 0.04 1.08 -1.47 -1.35 115.11 113.19 1iwp h GLN 496 Ca 0.00 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.14 1iwp h GLN 496 Cb 0.24 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.66 1iwp h GLN 496 CO 0.00 0.08 -0.11 0.00 -0.95 0.00 0.00 178.83 177.85 1iwp h ARG 497 N 0.00 0.36 0.01 1.46 3.08 -1.44 -2.02 114.38 115.83 1iwp h ARG 497 Ca -0.00 -0.09 -0.25 0.00 0.07 0.00 0.00 59.98 59.71 1iwp h ARG 497 Cb 0.15 -0.05 0.01 0.00 0.08 0.00 0.00 29.97 30.16 1iwp h ARG 497 CO 0.01 0.48 -1.01 0.28 -1.07 0.00 0.00 179.97 178.66 1iwp h VAL 498 N 0.34 1.34 0.03 2.04 2.07 -1.40 -3.33 116.25 117.33 1iwp h VAL 498 Ca 0.07 -2.36 -0.22 0.00 0.82 0.00 0.00 66.70 65.01 1iwp h VAL 498 Cb 0.40 2.42 -0.02 0.00 -1.52 0.00 0.00 31.29 32.57 1iwp h VAL 498 CO 0.02 0.72 -1.06 0.71 0.02 0.00 0.00 177.57 177.98 1iwp h THR 499 N 0.31 1.67 0.00 2.57 1.35 -1.44 -3.48 112.91 113.89 1iwp h THR 499 Ca -0.11 -3.35 0.00 0.00 -0.55 0.00 0.00 66.41 62.40 1iwp h THR 499 Cb 1.66 2.87 0.00 0.00 -1.73 0.00 0.00 68.15 70.94 1iwp h THR 499 CO 0.19 0.96 0.00 0.61 -0.25 0.00 0.00 175.52 177.03 1iwp n GLY 500 N 1.39 0.38 0.29 5.82 0.00 -0.77 -4.90 105.19 107.41 1iwp n GLY 500 Ca -0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 1iwp n GLY 500 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1iwp h ASP 501 N 0.00 1.01 -0.01 1.61 3.32 -1.93 -2.96 116.42 117.46 1iwp h ASP 501 Ca 0.00 -0.34 0.00 0.00 0.02 0.00 0.00 57.03 56.71 1iwp h ASP 501 Cb 0.29 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.56 1iwp h ASP 501 CO 0.00 1.12 0.00 0.00 -1.72 0.00 0.00 179.24 178.64 1iwp n TYR 502 N -4.14 0.03 0.41 4.55 4.11 -1.26 -2.48 117.16 118.38 1iwp n TYR 502 Ca 0.01 -0.01 0.11 0.00 -0.00 0.00 0.00 57.90 58.01 1iwp n TYR 502 Cb 0.40 -0.09 -0.03 0.00 -0.00 0.00 0.00 39.34 39.63 1iwp n TYR 502 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.86 178.14 1iwp n LEU 503 N -0.09 0.55 -4.78 -3.48 4.77 -1.12 -4.64 117.00 108.21 1iwp n LEU 503 Ca 0.00 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.67 1iwp n LEU 503 Cb 0.21 -0.07 0.05 0.00 -2.33 0.00 0.00 43.42 41.29 1iwp n LEU 503 CO 0.01 0.01 0.72 -1.10 -1.33 0.00 0.00 177.39 175.70 1iwp s GLN 504 N -3.27 2.80 0.02 3.23 -1.52 -1.03 -4.82 119.66 115.06 1iwp s GLN 504 Ca 0.01 1.22 -0.38 0.00 -1.95 0.00 0.00 55.36 54.26 1iwp s GLN 504 Cb 0.14 -1.96 -0.18 0.00 -0.22 0.00 0.00 33.01 30.79 1iwp s GLN 504 CO 0.83 -1.23 1.29 2.41 -0.25 0.00 0.00 175.29 178.34 1iwp n THR 505 N -2.72 0.02 -1.38 -0.19 -1.04 -1.26 -2.06 114.28 105.64 1iwp n THR 505 Ca 0.09 -0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.97 1iwp n THR 505 Cb 0.53 -0.58 -0.06 0.00 -1.82 0.00 0.00 70.33 68.40 1iwp n THR 505 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1iwp n SER 506 N 2.42 -5.42 -4.73 8.00 7.64 -1.26 -0.94 113.62 119.33 1iwp n SER 506 Ca 0.20 0.33 -0.42 0.00 1.01 0.00 0.00 58.87 59.99 1iwp n SER 506 Cb 0.14 -4.09 -0.03 0.00 -1.01 0.00 0.00 64.21 59.23 1iwp n SER 506 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1iwp s ALA 507 N -2.21 3.71 0.25 -0.43 0.00 -0.87 -4.51 121.76 117.69 1iwp s ALA 507 Ca 0.00 1.36 0.05 0.00 0.00 0.00 0.00 51.96 53.37 1iwp s ALA 507 Cb 0.00 -3.60 -0.02 0.00 0.00 0.00 0.00 23.12 19.50 1iwp s ALA 507 CO 0.00 -0.77 0.20 0.44 0.00 0.00 0.00 175.76 175.62 1iwp n ILE 508 N 3.21 0.00 -4.43 0.00 -5.35 -0.37 -4.97 119.36 107.45 1iwp n ILE 508 Ca 0.11 -1.79 -0.22 0.00 -0.27 0.00 0.00 62.75 60.58 1iwp n ILE 508 Cb 0.39 0.86 -0.14 0.00 -1.74 0.00 0.00 39.64 39.02 1iwp n ILE 508 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1iwp s LEU 509 N 0.00 2.17 0.00 7.28 1.43 -1.26 -0.68 118.68 127.61 1iwp s LEU 509 Ca 0.28 -0.47 -0.07 0.00 -1.03 0.00 0.00 54.13 52.83 1iwp s LEU 509 Cb 0.01 -0.70 0.14 0.00 0.03 0.00 0.00 46.19 45.67 1iwp s LEU 509 CO 0.20 0.07 0.85 -0.90 0.23 0.00 0.00 176.35 176.79 1iwp n ASP 510 N 1.90 0.42 0.32 2.29 5.68 -0.32 -4.76 116.55 122.07 1iwp n ASP 510 Ca -0.18 -1.52 0.20 0.00 -0.50 0.00 0.00 54.79 52.78 1iwp n ASP 510 Cb 0.54 -0.62 1.08 0.00 -1.14 0.00 0.00 41.12 40.99 1iwp n ASP 510 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 1iwp h ARG 511 N 0.00 0.00 -0.65 0.11 2.43 -1.90 -0.83 114.38 113.54 1iwp h ARG 511 Ca -0.28 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.89 1iwp h ARG 511 Cb 0.85 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.40 1iwp h ARG 511 CO 0.23 0.00 0.00 1.04 -1.51 0.00 0.00 179.97 179.73 1iwp n GLN 512 N -3.39 3.48 -1.88 0.20 3.00 -1.26 -4.65 117.38 112.87 1iwp n GLN 512 Ca -0.03 -2.29 -0.21 0.00 -0.01 0.00 0.00 57.00 54.47 1iwp n GLN 512 Cb 0.08 -1.89 -0.06 0.00 0.00 0.00 0.00 30.24 28.37 1iwp n GLN 512 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 1iwp n PHE 513 N 0.68 -0.35 -3.43 1.08 3.72 -0.32 -4.96 117.46 113.88 1iwp n PHE 513 Ca 0.20 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.23 1iwp n PHE 513 Cb 0.82 -3.62 -0.06 0.00 -0.94 0.00 0.00 39.48 35.69 1iwp n PHE 513 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 1iwp s GLU 514 N -4.20 4.09 0.26 -1.08 2.02 -1.26 -4.82 118.70 113.70 1iwp s GLU 514 Ca 0.00 0.44 -0.29 0.00 0.02 0.00 0.00 54.97 55.13 1iwp s GLU 514 Cb 0.00 -3.29 -0.09 0.00 0.10 0.00 0.00 34.13 30.84 1iwp s GLU 514 CO 0.00 0.51 1.14 0.54 0.02 0.00 0.00 175.26 177.47 1iwp s VAL 515 N -0.51 3.43 -0.28 2.63 0.11 -1.26 -1.17 120.40 123.34 1iwp s VAL 515 Ca 0.24 1.37 0.01 0.00 -2.93 0.00 0.00 61.98 60.68 1iwp s VAL 515 Cb -0.16 -3.87 0.08 0.00 -1.53 0.00 0.00 36.38 30.89 1iwp s VAL 515 CO 0.13 0.30 0.01 -0.69 -3.33 0.00 0.00 175.10 171.52 1iwp s VAL 516 N -0.89 1.56 0.22 2.04 1.01 0.14 -4.91 120.40 119.57 1iwp s VAL 516 Ca 0.47 -1.54 0.02 0.00 0.00 0.00 0.00 61.98 60.93 1iwp s VAL 516 Cb -0.33 -1.98 -0.01 0.00 0.00 0.00 0.00 36.38 34.06 1iwp s VAL 516 CO 0.41 -0.36 0.08 -1.54 0.00 0.00 0.00 175.10 173.69 1iwp n SER 517 N 4.61 1.08 0.26 3.32 3.41 -1.26 -1.24 113.62 123.80 1iwp n SER 517 Ca -0.06 -2.18 0.17 0.00 -0.26 0.00 0.00 58.87 56.54 1iwp n SER 517 Cb 0.43 0.56 0.73 0.00 -0.26 0.00 0.00 64.21 65.68 1iwp n SER 517 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1iwp h ALA 518 N 1.37 1.00 -0.01 7.33 0.00 -1.25 0.45 119.26 128.16 1iwp h ALA 518 Ca -0.17 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1iwp h ALA 518 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1iwp h ALA 518 CO 0.27 0.00 -0.05 0.28 0.00 0.00 0.00 179.25 179.76 1iwp h VAL 519 N 0.00 1.54 -0.01 0.00 2.07 -1.91 -2.85 116.25 115.10 1iwp h VAL 519 Ca 0.00 -1.66 0.00 0.00 0.82 0.00 0.00 66.70 65.86 1iwp h VAL 519 Cb 0.38 2.64 0.00 0.00 -1.52 0.00 0.00 31.29 32.79 1iwp h VAL 519 CO 0.00 0.44 -0.73 -0.46 0.02 0.00 0.00 177.57 176.84 1iwp n ASN 520 N -4.71 1.37 -2.93 0.57 6.94 -1.16 -4.36 115.26 110.98 1iwp n ASN 520 Ca -0.09 -1.15 -0.22 0.00 -0.02 0.00 0.00 54.58 53.11 1iwp n ASN 520 Cb 0.37 0.71 -0.02 0.00 -2.36 0.00 0.00 39.78 38.47 1iwp n ASN 520 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 1iwp n ASP 521 N -0.89 2.88 -4.70 0.53 2.03 0.16 -4.92 116.55 111.64 1iwp n ASP 521 Ca 0.07 -3.34 -0.42 0.00 0.52 0.00 0.00 54.79 51.62 1iwp n ASP 521 Cb 0.39 -0.56 -0.03 0.00 -0.72 0.00 0.00 41.12 40.19 1iwp n ASP 521 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1iwp s ILE 522 N -3.74 3.12 0.05 5.18 1.01 -1.08 0.23 121.20 125.97 1iwp s ILE 522 Ca 0.43 0.69 -0.31 0.00 0.00 0.00 0.00 60.65 61.47 1iwp s ILE 522 Cb 0.34 -3.45 -0.06 0.00 0.01 0.00 0.00 42.46 39.31 1iwp s ILE 522 CO -0.10 0.03 1.27 0.21 0.00 0.00 0.00 174.94 176.34 1iwp s ASN 523 N 1.67 6.99 -0.43 3.58 2.47 -0.84 -4.43 114.94 123.95 1iwp s ASN 523 Ca 0.69 2.06 0.10 0.00 0.42 0.00 0.00 52.86 56.13 1iwp s ASN 523 Cb -0.39 -2.57 0.39 0.00 -1.45 0.00 0.00 41.25 37.23 1iwp s ASN 523 CO 0.30 -0.56 0.92 -0.67 -3.72 0.00 0.00 177.10 173.38 1iwp n ASP 524 N 4.35 2.76 -4.69 -4.21 4.64 -1.26 -4.90 116.55 113.23 1iwp n ASP 524 Ca 0.10 -3.26 -0.42 0.00 -1.38 0.00 0.00 54.79 49.83 1iwp n ASP 524 Cb 0.45 -0.55 -0.03 0.00 -1.04 0.00 0.00 41.12 39.96 1iwp n ASP 524 CO 0.00 0.00 0.00 -0.47 -0.82 0.00 0.00 177.20 175.91 1iwp s TYR 525 N -3.11 3.25 -0.18 -0.67 5.04 -1.26 -3.23 117.35 117.18 1iwp s TYR 525 Ca 0.41 1.24 0.23 0.00 -2.44 0.00 0.00 57.07 56.51 1iwp s TYR 525 Cb 0.37 -3.41 0.48 0.00 0.35 0.00 0.00 41.96 39.75 1iwp s TYR 525 CO -0.09 -1.27 1.13 1.04 -1.34 0.00 0.00 175.55 175.02 1iwp n GLN 526 N 4.92 1.29 0.00 4.97 1.13 -1.26 -4.70 117.38 123.72 1iwp n GLN 526 Ca 0.10 -3.09 0.00 0.00 -1.94 0.00 0.00 57.00 52.07 1iwp n GLN 526 Cb 0.46 -1.17 0.00 0.00 0.11 0.00 0.00 30.24 29.65 1iwp n GLN 526 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1iwp n GLY 527 N -0.29 -3.49 3.53 1.08 0.00 -1.26 -4.83 105.19 99.93 1iwp n GLY 527 Ca 0.08 -1.93 -0.39 0.00 0.00 0.00 0.00 46.02 43.78 1iwp n GLY 527 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1iwp n PRO 528 N -0.27 0.81 -0.56 1.61 -0.02 -1.26 -2.02 135.00 133.28 1iwp n PRO 528 Ca 0.00 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 1iwp n PRO 528 Cb 0.00 -1.85 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 1iwp n PRO 528 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1iwp n GLY 529 N 1.53 0.74 3.53 -1.23 0.00 -1.26 -5.02 105.19 103.49 1iwp n GLY 529 Ca 0.12 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.00 1iwp n GLY 529 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1iwp s THR 530 N -2.47 0.00 0.06 2.61 -4.23 -0.86 -5.03 115.64 105.72 1iwp s THR 530 Ca 0.00 -1.52 0.00 0.00 -1.18 0.00 0.00 61.69 58.99 1iwp s THR 530 Cb 0.00 -2.66 0.00 0.00 1.34 0.00 0.00 72.50 71.18 1iwp s THR 530 CO 0.00 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 1iwp n GLY 531 N -0.56 -1.49 3.71 3.99 0.00 -1.20 -4.74 105.19 104.90 1iwp n GLY 531 Ca -0.00 -1.17 -0.42 0.00 0.00 0.00 0.00 46.02 44.43 1iwp n GLY 531 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1iwp s TYR 532 N -0.51 2.81 -0.02 1.61 5.04 -1.26 -4.98 117.35 120.05 1iwp s TYR 532 Ca 0.00 0.44 0.01 0.00 -2.44 0.00 0.00 57.07 55.08 1iwp s TYR 532 Cb 0.00 -4.00 0.01 0.00 0.35 0.00 0.00 41.96 38.31 1iwp s TYR 532 CO 0.00 -3.84 -0.03 1.03 -1.34 0.00 0.00 175.55 171.37 1iwp s ARG 533 N 1.60 0.39 0.21 4.97 1.81 -1.26 -5.11 118.95 121.56 1iwp s ARG 533 Ca 0.73 -0.08 -0.32 0.00 -1.72 0.00 0.00 55.73 54.33 1iwp s ARG 533 Cb -0.44 -0.44 -0.12 0.00 -0.45 0.00 0.00 34.95 33.50 1iwp s ARG 533 CO 0.32 0.01 1.68 -0.89 -0.68 0.00 0.00 175.30 175.73 1iwp n ILE 534 N 3.43 0.13 -1.56 1.52 5.41 -1.26 -4.95 119.36 122.08 1iwp n ILE 534 Ca -0.18 -0.03 -0.32 0.00 1.00 0.00 0.00 62.75 63.21 1iwp n ILE 534 Cb 0.55 -1.89 0.07 0.00 -0.71 0.00 0.00 39.64 37.66 1iwp n ILE 534 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1iwp s SER 535 N 1.03 4.80 0.35 4.38 1.04 -1.26 -4.73 113.70 119.31 1iwp s SER 535 Ca 0.74 1.98 0.07 0.00 0.48 0.00 0.00 55.95 59.23 1iwp s SER 535 Cb -0.54 -2.55 0.76 0.00 0.10 0.00 0.00 66.02 63.79 1iwp s SER 535 CO 0.35 -1.84 1.90 0.00 0.98 0.00 0.00 173.24 174.63 1iwp h ALA 536 N -0.38 1.76 -0.19 5.32 0.00 -1.98 0.32 119.26 124.10 1iwp h ALA 536 Ca -0.46 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.26 1iwp h ALA 536 Cb 1.25 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1iwp h ALA 536 CO 0.53 0.05 -0.66 1.49 0.00 0.00 0.00 179.25 180.65 1iwp h GLU 537 N 0.75 0.72 -0.25 0.00 4.81 -1.99 -1.53 114.58 117.09 1iwp h GLU 537 Ca 0.40 -0.52 -0.19 0.00 -0.13 0.00 0.00 59.36 58.92 1iwp h GLU 537 Cb 0.53 0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.00 1iwp h GLU 537 CO -0.17 1.14 -0.59 -0.09 -0.73 0.00 0.00 179.01 178.57 1iwp h ARG 538 N 0.52 0.83 -0.63 1.92 9.65 -1.68 -2.41 114.38 122.57 1iwp h ARG 538 Ca -0.02 -0.55 -0.01 0.00 -1.10 0.00 0.00 59.98 58.30 1iwp h ARG 538 Cb 1.26 0.08 -0.03 0.00 -1.39 0.00 0.00 29.97 29.89 1iwp h ARG 538 CO 0.13 1.18 0.37 2.35 2.80 0.00 0.00 179.97 186.81 1iwp h TRP 539 N 0.62 0.84 -0.62 2.20 -0.00 -0.37 -0.93 115.95 117.69 1iwp h TRP 539 Ca 0.00 -0.01 -0.02 0.00 -0.00 0.00 0.00 58.89 58.86 1iwp h TRP 539 Cb 1.20 -0.28 -0.03 0.00 -0.00 0.00 0.00 29.16 30.05 1iwp h TRP 539 CO 0.07 0.58 0.29 0.00 -0.00 0.00 0.00 178.44 179.39 1iwp h ALA 540 N 1.19 1.34 -0.42 2.65 0.00 -1.22 -1.23 119.26 121.57 1iwp h ALA 540 Ca 0.23 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 1iwp h ALA 540 Cb -0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1iwp h ALA 540 CO -0.04 0.51 0.04 1.49 0.00 0.00 0.00 179.25 181.25 1iwp h GLU 541 N 0.88 0.71 -0.61 0.00 4.81 -0.81 -0.38 114.58 119.18 1iwp h GLU 541 Ca 0.22 -0.21 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 1iwp h GLU 541 Cb 0.11 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.38 1iwp h GLU 541 CO -0.03 0.77 0.32 0.82 -0.73 0.00 0.00 179.01 180.16 1iwp h ILE 542 N 0.56 1.20 -0.45 2.32 2.04 -0.72 -2.93 117.51 119.53 1iwp h ILE 542 Ca 0.12 -0.54 -0.14 0.00 1.00 0.00 0.00 64.86 65.30 1iwp h ILE 542 Cb 0.42 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 1iwp h ILE 542 CO 0.01 0.23 -0.28 0.11 0.00 0.00 0.00 178.15 178.22 1iwp h LYS 543 N 0.83 0.98 -4.09 2.37 1.57 -1.07 -3.38 116.57 113.78 1iwp h LYS 543 Ca 0.21 -0.45 -0.24 0.00 -1.87 0.00 0.00 60.65 58.30 1iwp h LYS 543 Cb 0.07 -0.02 0.03 0.00 0.08 0.00 0.00 32.23 32.40 1iwp h LYS 543 CO -0.03 1.12 1.53 0.09 -0.57 0.00 0.00 179.45 181.59 1iwp n ASN 544 N -4.09 1.47 -4.72 0.86 4.13 -0.17 -4.90 115.26 107.84 1iwp n ASN 544 Ca -0.01 -2.21 -0.39 0.00 1.68 0.00 0.00 54.58 53.65 1iwp n ASN 544 Cb 0.49 -0.68 -0.05 0.00 -1.54 0.00 0.00 39.78 38.00 1iwp n ASN 544 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1iwp s ILE 545 N 5.00 5.10 0.14 2.41 1.01 -1.26 -4.85 121.20 128.75 1iwp s ILE 545 Ca 0.25 1.26 -0.31 0.00 0.00 0.00 0.00 60.65 61.85 1iwp s ILE 545 Cb 0.06 -3.96 -0.11 0.00 0.01 0.00 0.00 42.46 38.47 1iwp s ILE 545 CO 0.06 0.28 1.80 -2.84 0.00 0.00 0.00 174.94 174.24 1iwp s PRO 546 N 0.75 4.14 0.00 2.79 0.02 -1.26 -1.45 135.00 139.98 1iwp s PRO 546 Ca 0.33 2.59 0.00 0.00 0.02 0.00 0.00 61.00 63.94 1iwp s PRO 546 Cb -0.17 -3.47 0.00 0.00 0.02 0.00 0.00 34.50 30.88 1iwp s PRO 546 CO 0.15 -0.82 0.00 0.41 -0.33 0.00 0.00 177.00 176.41 1iwp n GLY 547 N 4.17 1.86 3.64 0.52 0.00 -1.26 -5.05 105.19 109.07 1iwp n GLY 547 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 1iwp n GLY 547 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iwp s VAL 548 N -2.26 4.09 0.08 1.61 1.01 -0.53 -4.97 120.40 119.43 1iwp s VAL 548 Ca 0.00 1.27 -0.25 0.00 0.00 0.00 0.00 61.98 63.00 1iwp s VAL 548 Cb 0.00 -4.00 -0.06 0.00 0.00 0.00 0.00 36.38 32.32 1iwp s VAL 548 CO 0.00 -0.31 0.76 0.54 0.00 0.00 0.00 175.10 176.09 1iwp s VAL 549 N 4.18 4.62 -0.23 2.92 0.11 -1.26 -4.99 120.40 125.76 1iwp s VAL 549 Ca 0.59 1.64 -0.29 0.00 -2.93 0.00 0.00 61.98 60.98 1iwp s VAL 549 Cb -0.20 -4.11 -0.02 0.00 -1.53 0.00 0.00 36.38 30.51 1iwp s VAL 549 CO 0.21 0.42 1.50 -1.10 -3.33 0.00 0.00 175.10 172.80 1iwp s GLN 550 N -0.42 3.87 0.37 1.54 -1.52 -1.26 -4.90 119.66 117.35 1iwp s GLN 550 Ca 0.37 1.56 0.18 0.00 -1.95 0.00 0.00 55.36 55.53 1iwp s GLN 550 Cb -0.21 -3.97 1.15 0.00 -0.22 0.00 0.00 33.01 29.76 1iwp s GLN 550 CO 0.24 -1.19 1.68 -1.00 -0.25 0.00 0.00 175.29 174.77 1iwp h PRO 551 N 10.10 0.30 0.00 2.91 0.13 -2.00 -1.42 132.00 142.01 1iwp h PRO 551 Ca -0.31 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1iwp h PRO 551 Cb 1.13 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1iwp h PRO 551 CO 1.01 0.20 0.00 -0.40 -0.23 0.00 0.00 178.00 178.57 1iwp n ASP 552 N -4.88 0.00 -0.58 1.44 3.85 -1.26 -2.83 116.55 112.28 1iwp n ASP 552 Ca 0.31 -0.18 0.08 0.00 -0.71 0.00 0.00 54.79 54.29 1iwp n ASP 552 Cb 1.04 -0.17 0.06 0.00 -1.35 0.00 0.00 41.12 40.70 1iwp n ASP 552 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 1iwp n THR 553 N -1.17 0.00 -2.49 2.12 -2.24 -0.53 -4.97 114.28 104.99 1iwp n THR 553 Ca 0.10 -0.49 -0.43 0.00 -2.27 0.00 0.00 64.05 60.96 1iwp n THR 553 Cb 0.10 1.30 -0.02 0.00 -2.10 0.00 0.00 70.33 69.61 1iwp n THR 553 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1iwp s ILE 554 N -1.32 4.31 -2.45 2.28 -1.09 -1.13 -5.08 121.20 116.72 1iwp s ILE 554 Ca 0.17 1.52 0.20 0.00 -2.23 0.00 0.00 60.65 60.31 1iwp s ILE 554 Cb 0.13 -4.19 0.15 0.00 -1.58 0.00 0.00 42.46 36.97 1iwp s ILE 554 CO 0.21 -0.36 1.12 1.21 -1.23 0.00 0.00 174.94 175.88