#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xwd s HIS 19 N 0.00 -0.40 0.05 0.00 2.46 -1.26 -4.59 115.29 111.56 1xwd s HIS 19 Ca 0.00 0.93 0.06 0.00 0.47 0.00 0.00 55.06 56.53 1xwd s HIS 19 Cb 0.00 0.13 -0.03 0.00 -0.13 0.00 0.00 32.58 32.56 1xwd s HIS 19 CO 0.00 -0.22 -0.18 -1.58 -2.47 0.00 0.00 174.74 170.29 1xwd s HIS 20 N 0.68 1.52 0.25 3.88 5.04 -1.24 -4.99 115.29 120.43 1xwd s HIS 20 Ca -0.04 -0.38 -0.05 0.00 -1.54 0.00 0.00 55.06 53.05 1xwd s HIS 20 Cb -0.05 -0.89 0.47 0.00 0.04 0.00 0.00 32.58 32.15 1xwd s HIS 20 CO -0.04 0.09 1.69 0.00 -2.34 0.00 0.00 174.74 174.13 1xwd h ARG 21 N 4.70 0.28 0.00 2.88 3.08 -2.02 -3.33 114.38 119.97 1xwd h ARG 21 Ca -0.41 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 59.56 1xwd h ARG 21 Cb 1.17 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.15 1xwd h ARG 21 CO 0.43 0.18 -1.23 1.51 -1.07 0.00 0.00 179.97 179.79 1xwd n ILE 22 N -5.14 0.23 -3.33 2.04 3.06 -1.26 -5.05 119.36 109.91 1xwd n ILE 22 Ca 0.14 -0.11 -0.34 0.00 -2.50 0.00 0.00 62.75 59.94 1xwd n ILE 22 Cb 0.46 -0.78 -0.06 0.00 0.54 0.00 0.00 39.64 39.80 1xwd n ILE 22 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1xwd s HIS 24 N -1.66 3.04 0.05 0.00 3.76 -0.71 -3.59 115.29 116.18 1xwd s HIS 24 Ca 0.44 0.24 0.07 0.00 -0.15 0.00 0.00 55.06 55.66 1xwd s HIS 24 Cb -0.13 -3.51 -0.03 0.00 1.11 0.00 0.00 32.58 30.01 1xwd s HIS 24 CO 0.20 -0.88 -0.18 0.00 -0.85 0.00 0.00 174.74 173.03 1xwd n SER 26 N 1.50 0.00 -4.56 0.00 2.88 -0.91 -4.42 113.62 108.11 1xwd n SER 26 Ca -0.16 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.09 1xwd n SER 26 Cb 0.52 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.93 1xwd n SER 26 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 1xwd s ASN 27 N 0.42 5.28 -0.84 -3.46 -0.87 -1.26 -4.10 114.94 110.11 1xwd s ASN 27 Ca 0.00 -1.00 0.00 0.00 -1.57 0.00 0.00 52.86 50.29 1xwd s ASN 27 Cb 0.00 -2.57 0.00 0.00 -0.02 0.00 0.00 41.25 38.66 1xwd s ASN 27 CO 0.00 -2.67 0.00 0.54 -2.57 0.00 0.00 177.10 172.40 1xwd n ARG 28 N 8.73 -1.50 -4.08 -0.60 1.74 -1.26 -4.91 116.66 114.77 1xwd n ARG 28 Ca 0.41 0.47 -0.32 0.00 -0.77 0.00 0.00 57.85 57.63 1xwd n ARG 28 Cb 0.47 -4.73 -0.16 0.00 -1.02 0.00 0.00 32.46 27.03 1xwd n ARG 28 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1xwd s VAL 29 N -1.88 2.01 -0.17 1.55 1.01 -1.26 -1.54 120.40 120.12 1xwd s VAL 29 Ca 0.00 -1.17 -0.08 0.00 0.00 0.00 0.00 61.98 60.73 1xwd s VAL 29 Cb 0.00 -1.96 -0.04 0.00 0.00 0.00 0.00 36.38 34.37 1xwd s VAL 29 CO 0.00 0.29 0.11 -0.36 0.00 0.00 0.00 175.10 175.13 1xwd s PHE 30 N 1.25 3.39 -0.32 5.22 0.40 -0.32 -2.14 117.98 125.47 1xwd s PHE 30 Ca -0.01 0.29 0.02 0.00 -0.60 0.00 0.00 56.93 56.64 1xwd s PHE 30 Cb -0.16 -2.07 0.08 0.00 0.51 0.00 0.00 43.02 41.39 1xwd s PHE 30 CO -0.09 0.36 0.01 -1.17 0.70 0.00 0.00 175.22 175.02 1xwd s LEU 31 N -0.01 4.27 -0.73 -0.37 2.96 -0.29 -0.81 118.68 123.69 1xwd s LEU 31 Ca 0.08 -1.77 -0.15 0.00 -0.22 0.00 0.00 54.13 52.08 1xwd s LEU 31 Cb -0.12 -1.64 0.18 0.00 0.50 0.00 0.00 46.19 45.12 1xwd s LEU 31 CO 0.00 -0.32 0.70 0.00 -1.32 0.00 0.00 176.35 175.41 1xwd s GLN 33 N 0.84 2.10 -0.67 0.00 0.74 -1.25 -2.24 119.66 119.18 1xwd s GLN 33 Ca 0.14 -0.97 -0.04 0.00 0.05 0.00 0.00 55.36 54.54 1xwd s GLN 33 Cb -0.17 -2.22 0.01 0.00 1.10 0.00 0.00 33.01 31.73 1xwd s GLN 33 CO -0.05 0.54 0.67 -1.91 -0.55 0.00 0.00 175.29 174.00 1xwd n GLU 34 N 1.48 -1.58 -3.06 1.67 4.07 -0.79 -4.89 120.64 117.54 1xwd n GLU 34 Ca -0.16 1.64 -0.34 0.00 -0.06 0.00 0.00 57.16 58.24 1xwd n GLU 34 Cb 0.52 -5.67 -0.06 0.00 -0.06 0.00 0.00 31.44 26.17 1xwd n GLU 34 CO 0.00 0.00 0.00 -1.12 -0.06 0.00 0.00 177.13 175.95 1xwd s SER 35 N -2.90 6.89 -0.05 4.31 0.01 -1.18 -4.89 113.70 115.89 1xwd s SER 35 Ca 0.06 1.41 0.16 0.00 1.31 0.00 0.00 55.95 58.89 1xwd s SER 35 Cb -0.02 -2.42 0.56 0.00 0.21 0.00 0.00 66.02 64.35 1xwd s SER 35 CO 0.76 -0.17 1.45 1.17 0.41 0.00 0.00 173.24 176.86 1xwd n LYS 36 N -0.13 2.84 -2.89 12.44 3.00 -1.26 -4.53 118.16 127.64 1xwd n LYS 36 Ca 0.03 -2.24 -0.21 0.00 -0.00 0.00 0.00 58.31 55.89 1xwd n LYS 36 Cb 0.53 -1.64 0.08 0.00 0.00 0.00 0.00 35.03 34.00 1xwd n LYS 36 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 1xwd s VAL 37 N -1.53 2.16 0.00 3.15 -7.23 -1.26 -5.00 120.40 110.69 1xwd s VAL 37 Ca 0.41 -0.86 0.00 0.00 -1.81 0.00 0.00 61.98 59.71 1xwd s VAL 37 Cb 0.24 -2.29 0.00 0.00 0.56 0.00 0.00 36.38 34.89 1xwd s VAL 37 CO 0.23 0.00 0.00 0.35 -0.31 0.00 0.00 175.10 175.37 1xwd n THR 38 N -2.44 0.00 -4.04 5.32 -2.24 -1.26 -4.39 114.28 105.22 1xwd n THR 38 Ca 0.15 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.86 1xwd n THR 38 Cb 0.61 0.33 -0.10 0.00 -2.10 0.00 0.00 70.33 69.08 1xwd n THR 38 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1xwd s GLU 39 N 0.00 0.63 -0.35 -0.78 2.56 -1.26 -3.25 118.70 116.25 1xwd s GLU 39 Ca 0.00 -1.14 -0.29 0.00 0.00 0.00 0.00 54.97 53.55 1xwd s GLU 39 Cb 0.00 0.23 0.01 0.00 2.00 0.00 0.00 34.13 36.36 1xwd s GLU 39 CO 0.00 -0.13 1.27 0.42 -0.56 0.00 0.00 175.26 176.26 1xwd s ILE 40 N -3.74 4.16 0.10 -3.70 1.01 -1.26 -4.97 121.20 112.79 1xwd s ILE 40 Ca 0.05 1.27 -0.36 0.00 0.00 0.00 0.00 60.65 61.61 1xwd s ILE 40 Cb 0.06 -4.27 -0.16 0.00 0.01 0.00 0.00 42.46 38.10 1xwd s ILE 40 CO -0.10 -0.61 1.31 -2.65 0.00 0.00 0.00 174.94 172.90 1xwd n PRO 41 N 7.47 1.18 0.07 2.79 -0.02 -1.26 -4.89 135.00 140.35 1xwd n PRO 41 Ca 0.14 0.43 0.13 0.00 -2.02 0.00 0.00 63.50 62.17 1xwd n PRO 41 Cb 0.47 -2.05 0.29 0.00 -0.02 0.00 0.00 33.50 32.20 1xwd n PRO 41 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1xwd n SER 42 N 2.45 0.69 -0.80 2.55 3.41 -1.26 -3.61 113.62 117.05 1xwd n SER 42 Ca 0.18 0.30 0.02 0.00 -0.26 0.00 0.00 58.87 59.11 1xwd n SER 42 Cb 0.20 -0.25 0.11 0.00 -0.26 0.00 0.00 64.21 64.01 1xwd n SER 42 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1xwd n ASP 43 N -2.10 2.11 -4.73 4.04 5.75 -1.26 -4.85 116.55 115.52 1xwd n ASP 43 Ca 0.05 -2.22 -0.41 0.00 -0.01 0.00 0.00 54.79 52.20 1xwd n ASP 43 Cb 0.42 -0.49 -0.04 0.00 -1.03 0.00 0.00 41.12 39.99 1xwd n ASP 43 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1xwd s LEU 44 N -0.79 4.47 0.67 -2.12 1.43 -1.24 -4.99 118.68 116.11 1xwd s LEU 44 Ca 0.15 1.81 -0.17 0.00 -1.03 0.00 0.00 54.13 54.89 1xwd s LEU 44 Cb 0.11 -3.59 -0.03 0.00 0.03 0.00 0.00 46.19 42.71 1xwd s LEU 44 CO 0.05 -0.12 0.86 -2.65 0.23 0.00 0.00 176.35 174.71 1xwd n PRO 45 N 2.96 0.60 -0.14 1.29 -0.02 -1.26 -4.88 135.00 133.55 1xwd n PRO 45 Ca 0.03 0.25 0.10 0.00 -2.02 0.00 0.00 63.50 61.86 1xwd n PRO 45 Cb 0.49 -2.10 0.30 0.00 -0.02 0.00 0.00 33.50 32.17 1xwd n PRO 45 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1xwd n ARG 46 N -1.25 2.00 -0.35 -0.52 0.63 -1.26 -3.75 116.66 112.15 1xwd n ARG 46 Ca 0.13 -1.51 0.08 0.00 -0.92 0.00 0.00 57.85 55.62 1xwd n ARG 46 Cb 0.49 -1.42 0.22 0.00 0.45 0.00 0.00 32.46 32.20 1xwd n ARG 46 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 1xwd n ASN 47 N 0.73 3.52 -4.74 6.15 6.94 -1.26 -4.20 115.26 122.40 1xwd n ASN 47 Ca 0.17 -2.79 -0.34 0.00 -0.02 0.00 0.00 54.58 51.60 1xwd n ASN 47 Cb 0.41 -0.46 0.07 0.00 -2.36 0.00 0.00 39.78 37.45 1xwd n ASN 47 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1xwd s ALA 48 N -2.41 2.29 -0.08 -2.53 0.00 -1.25 -4.85 121.76 112.93 1xwd s ALA 48 Ca 0.36 0.76 0.05 0.00 0.00 0.00 0.00 51.96 53.14 1xwd s ALA 48 Cb 0.28 -3.41 -0.08 0.00 0.00 0.00 0.00 23.12 19.91 1xwd s ALA 48 CO 0.10 -1.58 -0.01 -0.89 0.00 0.00 0.00 175.76 173.38 1xwd n ILE 49 N -2.50 0.52 -3.73 0.00 5.41 -0.59 -1.59 119.36 116.87 1xwd n ILE 49 Ca 0.12 -0.28 -0.17 0.00 1.00 0.00 0.00 62.75 63.42 1xwd n ILE 49 Cb 0.51 -0.81 -0.17 0.00 -0.71 0.00 0.00 39.64 38.46 1xwd n ILE 49 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 1xwd s GLU 50 N -2.18 -0.05 -0.16 0.38 2.12 -1.22 0.98 118.70 118.57 1xwd s GLU 50 Ca -0.06 0.26 -0.02 0.00 0.36 0.00 0.00 54.97 55.52 1xwd s GLU 50 Cb 0.02 -0.35 -0.01 0.00 0.26 0.00 0.00 34.13 34.06 1xwd s GLU 50 CO 0.28 -0.23 -0.10 -0.51 -0.54 0.00 0.00 175.26 174.16 1xwd s LEU 51 N 1.49 2.83 -0.17 2.70 1.43 -0.39 -1.18 118.68 125.40 1xwd s LEU 51 Ca -0.04 -0.32 0.00 0.00 -1.03 0.00 0.00 54.13 52.75 1xwd s LEU 51 Cb -0.13 -1.67 0.03 0.00 0.03 0.00 0.00 46.19 44.46 1xwd s LEU 51 CO -0.03 0.12 -0.12 -0.13 0.23 0.00 0.00 176.35 176.42 1xwd s ARG 52 N 0.65 2.11 -0.30 1.70 0.52 0.01 -0.30 118.95 123.33 1xwd s ARG 52 Ca -0.05 -0.64 -0.02 0.00 -0.52 0.00 0.00 55.73 54.50 1xwd s ARG 52 Cb -0.15 -2.19 0.05 0.00 0.52 0.00 0.00 34.95 33.18 1xwd s ARG 52 CO 0.02 -0.32 0.00 -0.06 0.02 0.00 0.00 175.30 174.97 1xwd s PHE 53 N 1.47 3.27 0.01 -0.53 0.08 -0.14 0.45 117.98 122.61 1xwd s PHE 53 Ca 0.02 -1.89 0.06 0.00 0.12 0.00 0.00 56.93 55.24 1xwd s PHE 53 Cb -0.14 -2.14 -0.02 0.00 -0.57 0.00 0.00 43.02 40.15 1xwd s PHE 53 CO -0.10 -0.81 -0.18 0.08 -0.10 0.00 0.00 175.22 174.11 1xwd s VAL 54 N 1.25 1.44 -1.13 -0.44 1.01 -0.95 -0.58 120.40 120.99 1xwd s VAL 54 Ca -0.05 -0.93 -0.11 0.00 0.00 0.00 0.00 61.98 60.89 1xwd s VAL 54 Cb -0.20 -1.23 0.10 0.00 0.00 0.00 0.00 36.38 35.05 1xwd s VAL 54 CO -0.01 0.28 0.39 0.18 0.00 0.00 0.00 175.10 175.93 1xwd n LEU 55 N 2.28 -0.94 -4.89 3.92 4.77 -0.35 -1.88 117.00 119.92 1xwd n LEU 55 Ca -0.16 -0.41 -0.30 0.00 -0.03 0.00 0.00 56.01 55.12 1xwd n LEU 55 Cb 0.54 -1.68 0.05 0.00 -2.33 0.00 0.00 43.42 40.00 1xwd n LEU 55 CO 0.23 0.10 0.74 -0.89 -1.33 0.00 0.00 177.39 176.24 1xwd s THR 56 N -2.78 3.26 -0.27 -5.08 2.01 -1.26 -2.48 115.64 109.04 1xwd s THR 56 Ca 0.42 0.36 0.13 0.00 0.31 0.00 0.00 61.69 62.91 1xwd s THR 56 Cb -0.24 -3.40 0.75 0.00 0.01 0.00 0.00 72.50 69.62 1xwd s THR 56 CO 0.52 -0.51 1.72 1.17 -0.69 0.00 0.00 174.62 176.83 1xwd n LYS 57 N -3.02 4.07 -1.73 4.92 3.00 -1.26 -4.37 118.16 119.76 1xwd n LYS 57 Ca 0.07 -3.10 -0.42 0.00 -0.00 0.00 0.00 58.31 54.86 1xwd n LYS 57 Cb 0.58 -2.18 -0.02 0.00 0.00 0.00 0.00 35.03 33.41 1xwd n LYS 57 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1xwd n LEU 58 N 0.09 4.13 -0.06 3.14 4.77 -1.26 -4.57 117.00 123.23 1xwd n LEU 58 Ca 0.33 1.14 -0.08 0.00 -0.03 0.00 0.00 56.01 57.36 1xwd n LEU 58 Cb 1.24 -1.57 -0.05 0.00 -2.33 0.00 0.00 43.42 40.71 1xwd n LEU 58 CO 0.35 0.05 -0.89 -1.14 -1.33 0.00 0.00 177.39 174.43 1xwd n ARG 59 N 2.32 0.30 -4.18 3.23 3.00 -1.20 -1.85 116.66 118.27 1xwd n ARG 59 Ca 0.10 0.07 -0.20 0.00 -0.00 0.00 0.00 57.85 57.82 1xwd n ARG 59 Cb 0.36 -1.22 -0.16 0.00 0.00 0.00 0.00 32.46 31.43 1xwd n ARG 59 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1xwd s VAL 60 N -2.24 0.54 -0.90 5.15 1.01 -1.26 -0.52 120.40 122.17 1xwd s VAL 60 Ca -0.16 -0.14 -0.18 0.00 0.00 0.00 0.00 61.98 61.50 1xwd s VAL 60 Cb 0.04 -0.55 0.15 0.00 0.00 0.00 0.00 36.38 36.02 1xwd s VAL 60 CO 0.27 0.22 1.05 -0.63 0.00 0.00 0.00 175.10 176.01 1xwd s ILE 61 N 0.81 4.92 0.78 2.22 1.01 0.56 -4.74 121.20 126.75 1xwd s ILE 61 Ca -0.11 -1.76 -0.15 0.00 0.00 0.00 0.00 60.65 58.63 1xwd s ILE 61 Cb -0.14 -4.71 -0.02 0.00 0.01 0.00 0.00 42.46 37.60 1xwd s ILE 61 CO 0.00 -1.40 0.47 0.00 0.00 0.00 0.00 174.94 174.01 1xwd n GLN 62 N 6.00 0.16 -1.97 2.79 0.00 -1.26 -2.07 117.38 121.03 1xwd n GLN 62 Ca 0.21 0.10 -0.39 0.00 0.00 0.00 0.00 57.00 56.92 1xwd n GLN 62 Cb 0.49 -1.82 0.01 0.00 0.00 0.00 0.00 30.24 28.92 1xwd n GLN 62 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.06 177.27 1xwd s LYS 63 N -2.93 3.75 -0.86 2.61 2.20 -1.26 -3.06 119.74 120.19 1xwd s LYS 63 Ca 0.63 2.19 0.00 0.00 -0.36 0.00 0.00 55.97 58.43 1xwd s LYS 63 Cb -0.32 -2.62 0.00 0.00 -1.51 0.00 0.00 37.83 33.39 1xwd s LYS 63 CO 0.61 -0.69 0.00 0.41 -0.36 0.00 0.00 175.35 175.32 1xwd n GLY 64 N 0.63 0.96 0.33 5.54 0.00 -0.71 -4.91 105.19 107.03 1xwd n GLY 64 Ca 0.05 -0.36 0.03 0.00 0.00 0.00 0.00 46.02 45.75 1xwd n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xwd h ALA 65 N 0.00 1.27 -0.20 4.61 0.00 -1.75 -2.85 119.26 120.33 1xwd h ALA 65 Ca -0.17 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1xwd h ALA 65 Cb 0.68 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1xwd h ALA 65 CO 0.24 0.18 0.00 1.19 0.00 0.00 0.00 179.25 180.86 1xwd n PHE 66 N -4.68 0.65 -1.79 0.00 3.72 -1.26 -5.01 117.46 109.08 1xwd n PHE 66 Ca 0.15 -0.84 -0.42 0.00 -0.05 0.00 0.00 57.45 56.28 1xwd n PHE 66 Cb 0.27 -0.24 -0.03 0.00 -0.94 0.00 0.00 39.48 38.55 1xwd n PHE 66 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1xwd s SER 67 N -1.99 6.48 0.00 4.37 0.15 -1.08 -2.83 113.70 118.80 1xwd s SER 67 Ca 0.36 2.68 0.00 0.00 0.70 0.00 0.00 55.95 59.69 1xwd s SER 67 Cb 0.29 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 62.03 1xwd s SER 67 CO 0.08 -0.96 0.00 0.61 1.20 0.00 0.00 173.24 174.17 1xwd n GLY 68 N 4.11 0.49 3.57 9.45 0.00 -1.26 -4.99 105.19 116.56 1xwd n GLY 68 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 1xwd n GLY 68 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xwd s PHE 69 N -2.20 2.30 -1.32 1.61 0.40 -1.13 -4.73 117.98 112.91 1xwd s PHE 69 Ca 0.00 -0.43 0.16 0.00 -0.60 0.00 0.00 56.93 56.06 1xwd s PHE 69 Cb 0.00 -4.36 0.79 0.00 0.51 0.00 0.00 43.02 39.95 1xwd s PHE 69 CO 0.00 -1.58 1.48 0.41 0.70 0.00 0.00 175.22 176.23 1xwd n GLY 70 N 5.92 -0.88 0.02 4.36 0.00 -1.26 -3.42 105.19 109.93 1xwd n GLY 70 Ca 0.44 -0.07 0.01 0.00 0.00 0.00 0.00 46.02 46.40 1xwd n GLY 70 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xwd n ASP 71 N -1.34 0.42 -4.74 1.61 8.00 -1.26 -4.28 116.55 114.96 1xwd n ASP 71 Ca 0.07 -0.71 -0.42 0.00 0.71 0.00 0.00 54.79 54.44 1xwd n ASP 71 Cb 0.14 0.67 -0.03 0.00 -0.02 0.00 0.00 41.12 41.89 1xwd n ASP 71 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1xwd s LEU 72 N -1.43 4.38 -0.05 0.64 2.96 -0.62 -4.28 118.68 120.28 1xwd s LEU 72 Ca 0.01 2.62 0.03 0.00 -0.22 0.00 0.00 54.13 56.57 1xwd s LEU 72 Cb 0.01 -3.61 -0.05 0.00 0.50 0.00 0.00 46.19 43.04 1xwd s LEU 72 CO 0.05 -0.72 -0.00 -0.62 -1.32 0.00 0.00 176.35 173.74 1xwd n GLU 73 N 2.83 2.40 -3.81 1.98 1.02 0.28 -1.61 120.64 123.73 1xwd n GLU 73 Ca 0.09 0.01 -0.15 0.00 -0.02 0.00 0.00 57.16 57.08 1xwd n GLU 73 Cb 0.40 -1.11 -0.16 0.00 -0.02 0.00 0.00 31.44 30.55 1xwd n GLU 73 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1xwd s LYS 74 N -2.10 0.02 -0.22 3.49 1.02 -0.92 0.08 119.74 121.11 1xwd s LYS 74 Ca -0.04 0.15 0.02 0.00 0.02 0.00 0.00 55.97 56.12 1xwd s LYS 74 Cb 0.01 -0.26 0.04 0.00 -0.52 0.00 0.00 37.83 37.11 1xwd s LYS 74 CO 0.16 -0.14 -0.13 0.42 -0.92 0.00 0.00 175.35 174.74 1xwd s ILE 75 N 0.95 1.97 -0.19 2.17 1.01 -0.51 -1.26 121.20 125.34 1xwd s ILE 75 Ca -0.08 -1.27 -0.05 0.00 0.00 0.00 0.00 60.65 59.25 1xwd s ILE 75 Cb -0.12 -1.99 -0.03 0.00 0.01 0.00 0.00 42.46 40.33 1xwd s ILE 75 CO -0.02 0.17 0.00 -0.70 0.00 0.00 0.00 174.94 174.39 1xwd s GLU 76 N 1.24 3.69 -0.30 2.79 2.12 0.58 -0.55 118.70 128.28 1xwd s GLU 76 Ca -0.03 -0.49 0.02 0.00 0.36 0.00 0.00 54.97 54.83 1xwd s GLU 76 Cb -0.17 -3.07 0.09 0.00 0.26 0.00 0.00 34.13 31.24 1xwd s GLU 76 CO -0.08 0.10 0.03 0.42 -0.54 0.00 0.00 175.26 175.19 1xwd s ILE 77 N 0.77 1.65 -0.03 -3.70 1.01 0.85 -0.96 121.20 120.79 1xwd s ILE 77 Ca 0.01 -1.74 0.01 0.00 0.00 0.00 0.00 60.65 58.93 1xwd s ILE 77 Cb -0.14 -2.13 0.01 0.00 0.01 0.00 0.00 42.46 40.21 1xwd s ILE 77 CO 0.02 -0.47 -0.05 -0.55 0.00 0.00 0.00 174.94 173.89 1xwd s SER 78 N 1.26 0.84 -0.82 3.58 0.15 0.25 -0.76 113.70 118.20 1xwd s SER 78 Ca 0.06 -0.12 -0.02 0.00 0.70 0.00 0.00 55.95 56.56 1xwd s SER 78 Cb -0.18 -0.30 -0.01 0.00 -1.71 0.00 0.00 66.02 63.82 1xwd s SER 78 CO -0.13 -0.01 0.71 0.00 1.20 0.00 0.00 173.24 175.01 1xwd n GLN 79 N 3.62 -1.44 -3.92 5.44 6.02 0.15 -2.96 117.38 124.30 1xwd n GLN 79 Ca -0.21 1.19 -0.30 0.00 -0.01 0.00 0.00 57.00 57.66 1xwd n GLN 79 Cb 0.53 -4.86 -0.15 0.00 1.02 0.00 0.00 30.24 26.77 1xwd n GLN 79 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1xwd s ASN 80 N -3.07 4.12 0.46 1.08 0.01 -0.96 -1.21 114.94 115.38 1xwd s ASN 80 Ca 0.08 -1.51 0.13 0.00 -0.71 0.00 0.00 52.86 50.85 1xwd s ASN 80 Cb -0.02 -1.24 1.07 0.00 0.41 0.00 0.00 41.25 41.48 1xwd s ASN 80 CO 0.79 -0.30 2.07 0.44 -1.51 0.00 0.00 177.10 178.59 1xwd h ASP 81 N 7.89 0.26 0.00 -1.22 5.19 -1.82 -3.23 116.42 123.49 1xwd h ASP 81 Ca -0.14 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.27 1xwd h ASP 81 Cb 1.05 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 40.50 1xwd h ASP 81 CO 0.45 0.18 -0.06 1.33 -3.12 0.00 0.00 179.24 178.01 1xwd n VAL 82 N -4.49 1.52 -2.47 -1.35 0.24 -1.26 -4.04 118.33 106.49 1xwd n VAL 82 Ca 0.03 -1.80 -0.43 0.00 -2.04 0.00 0.00 64.34 60.10 1xwd n VAL 82 Cb 0.17 -0.04 -0.02 0.00 -1.47 0.00 0.00 33.84 32.47 1xwd n VAL 82 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1xwd s LEU 83 N -2.26 4.18 0.00 1.34 2.96 -0.77 -3.98 118.68 120.15 1xwd s LEU 83 Ca 0.24 1.66 0.00 0.00 -0.22 0.00 0.00 54.13 55.81 1xwd s LEU 83 Cb 0.21 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.36 1xwd s LEU 83 CO 0.02 -0.72 0.00 -0.62 -1.32 0.00 0.00 176.35 173.71 1xwd n GLU 84 N 6.37 3.32 -3.71 1.98 1.02 0.32 -1.57 120.64 128.36 1xwd n GLU 84 Ca 0.13 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.15 1xwd n GLU 84 Cb 0.45 -0.64 -0.13 0.00 -0.02 0.00 0.00 31.44 31.11 1xwd n GLU 84 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1xwd s VAL 85 N -1.15 -0.08 -0.28 2.62 1.01 -1.20 -2.38 120.40 118.94 1xwd s VAL 85 Ca 0.00 0.15 -0.04 0.00 0.00 0.00 0.00 61.98 62.10 1xwd s VAL 85 Cb 0.00 -0.43 0.03 0.00 0.00 0.00 0.00 36.38 35.98 1xwd s VAL 85 CO 0.00 0.06 0.00 -0.63 0.00 0.00 0.00 175.10 174.54 1xwd s ILE 86 N 1.42 3.29 1.11 2.22 1.01 -0.14 -0.33 121.20 129.79 1xwd s ILE 86 Ca -0.08 -0.98 -0.18 0.00 0.00 0.00 0.00 60.65 59.41 1xwd s ILE 86 Cb -0.10 -2.73 0.25 0.00 0.01 0.00 0.00 42.46 39.89 1xwd s ILE 86 CO -0.09 0.09 1.16 -1.61 0.00 0.00 0.00 174.94 174.49 1xwd s GLU 87 N 1.37 -0.49 0.66 2.79 2.02 -0.88 -0.71 118.70 123.46 1xwd s GLU 87 Ca -0.00 -0.10 -0.16 0.00 0.02 0.00 0.00 54.97 54.74 1xwd s GLU 87 Cb -0.17 -1.68 0.00 0.00 0.10 0.00 0.00 34.13 32.37 1xwd s GLU 87 CO -0.01 -3.22 1.14 0.00 0.02 0.00 0.00 175.26 173.18 1xwd s ALA 88 N -3.25 2.42 -1.41 5.21 0.00 -1.26 -4.02 121.76 119.45 1xwd s ALA 88 Ca 0.71 0.67 -0.07 0.00 0.00 0.00 0.00 51.96 53.26 1xwd s ALA 88 Cb -0.09 -3.36 0.04 0.00 0.00 0.00 0.00 23.12 19.71 1xwd s ALA 88 CO 0.55 -1.35 0.91 -0.25 0.00 0.00 0.00 175.76 175.62 1xwd n ASP 89 N -2.33 -3.51 -0.10 0.00 8.00 0.15 -4.13 116.55 114.64 1xwd n ASP 89 Ca 0.11 -0.75 -0.23 0.00 0.71 0.00 0.00 54.79 54.63 1xwd n ASP 89 Cb 0.51 -4.18 -0.12 0.00 -0.02 0.00 0.00 41.12 37.32 1xwd n ASP 89 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1xwd n VAL 90 N -4.54 1.56 -3.15 2.53 0.31 -1.18 -1.74 118.33 112.11 1xwd n VAL 90 Ca -0.11 -0.19 -0.40 0.00 -0.01 0.00 0.00 64.34 63.64 1xwd n VAL 90 Cb 0.60 -1.96 -0.01 0.00 -0.91 0.00 0.00 33.84 31.56 1xwd n VAL 90 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1xwd n PHE 91 N -4.25 2.87 -4.45 3.52 3.72 -0.03 -4.14 117.46 114.70 1xwd n PHE 91 Ca -0.37 -3.08 -0.21 0.00 -0.05 0.00 0.00 57.45 53.74 1xwd n PHE 91 Cb 0.78 -1.15 -0.15 0.00 -0.94 0.00 0.00 39.48 38.01 1xwd n PHE 91 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1xwd s SER 92 N -1.59 1.34 -0.93 4.37 1.04 -1.26 -0.77 113.70 115.90 1xwd s SER 92 Ca 0.33 -0.21 -0.10 0.00 0.48 0.00 0.00 55.95 56.45 1xwd s SER 92 Cb 0.05 -0.35 0.01 0.00 0.10 0.00 0.00 66.02 65.83 1xwd s SER 92 CO 0.06 0.08 0.67 0.59 0.98 0.00 0.00 173.24 175.62 1xwd n ASN 93 N 3.24 -5.34 -3.63 7.02 4.13 -0.80 -4.78 115.26 115.10 1xwd n ASN 93 Ca -0.18 -0.88 -0.28 0.00 1.68 0.00 0.00 54.58 54.92 1xwd n ASN 93 Cb 0.54 -2.61 -0.12 0.00 -1.54 0.00 0.00 39.78 36.06 1xwd n ASN 93 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1xwd s LEU 94 N -5.48 2.76 0.14 3.41 1.43 -1.24 -4.56 118.68 115.14 1xwd s LEU 94 Ca 0.17 -3.14 0.10 0.00 -1.03 0.00 0.00 54.13 50.23 1xwd s LEU 94 Cb -0.08 -0.96 0.55 0.00 0.03 0.00 0.00 46.19 45.74 1xwd s LEU 94 CO 0.88 -0.18 1.32 -2.65 0.23 0.00 0.00 176.35 175.95 1xwd n PRO 95 N 2.83 0.06 0.00 1.29 -0.02 -1.26 -1.65 135.00 136.26 1xwd n PRO 95 Ca 0.20 0.55 0.04 0.00 -2.02 0.00 0.00 63.50 62.26 1xwd n PRO 95 Cb 0.40 -1.70 0.03 0.00 -0.02 0.00 0.00 33.50 32.20 1xwd n PRO 95 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1xwd n LYS 96 N -1.84 0.23 -2.03 -0.52 5.02 -1.26 -4.34 118.16 113.42 1xwd n LYS 96 Ca -0.00 -0.89 -0.42 0.00 -2.02 0.00 0.00 58.31 54.98 1xwd n LYS 96 Cb 0.03 -1.12 -0.03 0.00 -0.02 0.00 0.00 35.03 33.89 1xwd n LYS 96 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1xwd s LEU 97 N -0.68 4.35 -0.08 -0.35 2.96 -0.63 -4.15 118.68 120.09 1xwd s LEU 97 Ca 0.08 2.37 0.07 0.00 -0.22 0.00 0.00 54.13 56.43 1xwd s LEU 97 Cb 0.06 -3.56 -0.10 0.00 0.50 0.00 0.00 46.19 43.09 1xwd s LEU 97 CO 0.10 -0.82 0.02 1.41 -1.32 0.00 0.00 176.35 175.74 1xwd n HIS 98 N 5.36 0.00 -4.19 5.38 8.25 0.11 -2.23 115.22 127.91 1xwd n HIS 98 Ca 0.15 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.41 1xwd n HIS 98 Cb 0.41 -0.40 -0.16 0.00 1.12 0.00 0.00 29.99 30.96 1xwd n HIS 98 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 1xwd s GLU 99 N -2.20 0.84 -0.11 -0.41 2.12 -0.65 0.13 118.70 118.43 1xwd s GLU 99 Ca -0.05 -0.12 0.03 0.00 0.36 0.00 0.00 54.97 55.19 1xwd s GLU 99 Cb 0.03 -0.83 0.01 0.00 0.26 0.00 0.00 34.13 33.59 1xwd s GLU 99 CO 0.33 -0.07 -0.20 0.42 -0.54 0.00 0.00 175.26 175.20 1xwd s ILE 100 N 0.86 1.80 -0.19 -3.70 1.01 0.19 -1.42 121.20 119.75 1xwd s ILE 100 Ca -0.12 -0.84 -0.01 0.00 0.00 0.00 0.00 60.65 59.68 1xwd s ILE 100 Cb -0.14 -1.59 0.05 0.00 0.01 0.00 0.00 42.46 40.79 1xwd s ILE 100 CO 0.00 0.50 -0.02 -0.13 0.00 0.00 0.00 174.94 175.30 1xwd s ARG 101 N 0.69 1.15 -0.26 2.79 0.52 0.29 -0.49 118.95 123.63 1xwd s ARG 101 Ca -0.12 -0.56 -0.02 0.00 -0.52 0.00 0.00 55.73 54.51 1xwd s ARG 101 Cb -0.16 -2.13 0.03 0.00 0.52 0.00 0.00 34.95 33.21 1xwd s ARG 101 CO 0.02 -0.54 -0.04 0.42 0.02 0.00 0.00 175.30 175.18 1xwd s ILE 102 N 1.68 2.95 -0.03 1.52 1.01 0.15 -0.10 121.20 128.37 1xwd s ILE 102 Ca -0.01 -1.11 0.02 0.00 0.00 0.00 0.00 60.65 59.55 1xwd s ILE 102 Cb -0.17 -2.55 0.01 0.00 0.01 0.00 0.00 42.46 39.76 1xwd s ILE 102 CO -0.07 0.11 -0.07 -1.61 0.00 0.00 0.00 174.94 173.30 1xwd s GLU 103 N 1.31 0.89 -1.15 2.79 2.02 0.07 -0.47 118.70 124.16 1xwd s GLU 103 Ca -0.01 -0.21 -0.01 0.00 0.02 0.00 0.00 54.97 54.76 1xwd s GLU 103 Cb -0.17 -0.85 -0.01 0.00 0.10 0.00 0.00 34.13 33.20 1xwd s GLU 103 CO -0.03 0.02 0.96 1.63 0.02 0.00 0.00 175.26 177.87 1xwd n LYS 104 N 3.61 -5.95 -3.22 1.61 5.02 -0.39 -0.67 118.16 118.17 1xwd n LYS 104 Ca -0.21 0.83 -0.43 0.00 -2.02 0.00 0.00 58.31 56.48 1xwd n LYS 104 Cb 0.53 -5.77 -0.00 0.00 -0.02 0.00 0.00 35.03 29.77 1xwd n LYS 104 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xwd n ALA 105 N -3.94 4.60 -0.33 7.82 0.00 -0.82 -2.26 120.51 125.58 1xwd n ALA 105 Ca -0.26 -4.73 0.29 0.00 0.00 0.00 0.00 53.44 48.74 1xwd n ALA 105 Cb 0.66 -2.32 0.53 0.00 0.00 0.00 0.00 19.45 18.32 1xwd n ALA 105 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 1xwd h ASN 106 N 6.02 0.16 -0.14 0.00 -1.24 -1.73 -1.68 115.58 116.95 1xwd h ASN 106 Ca 0.19 0.26 0.00 0.00 0.71 0.00 0.00 56.30 57.46 1xwd h ASN 106 Cb 0.75 0.32 0.00 0.00 0.73 0.00 0.00 38.32 40.12 1xwd h ASN 106 CO 1.13 -0.42 0.00 0.59 -1.29 0.00 0.00 177.43 177.44 1xwd n ASN 107 N -5.31 2.92 -4.60 1.15 3.02 -1.26 -4.27 115.26 106.91 1xwd n ASN 107 Ca 0.35 -2.73 -0.43 0.00 -0.03 0.00 0.00 54.58 51.75 1xwd n ASN 107 Cb 1.18 -0.37 -0.02 0.00 -0.61 0.00 0.00 39.78 39.96 1xwd n ASN 107 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1xwd s LEU 108 N -2.28 3.62 0.00 3.41 2.96 -0.61 -4.18 118.68 121.61 1xwd s LEU 108 Ca 0.29 0.75 0.02 0.00 -0.22 0.00 0.00 54.13 54.97 1xwd s LEU 108 Cb 0.23 -3.54 0.01 0.00 0.50 0.00 0.00 46.19 43.39 1xwd s LEU 108 CO 0.07 -1.36 0.56 0.00 -1.32 0.00 0.00 176.35 174.29 1xwd n LEU 109 N 8.46 1.15 -3.54 -0.68 -0.00 -1.18 -1.28 117.00 119.93 1xwd n LEU 109 Ca 0.15 -1.00 -0.19 0.00 -0.00 0.00 0.00 56.01 54.98 1xwd n LEU 109 Cb 0.48 0.00 -0.14 0.00 -0.00 0.00 0.00 43.42 43.76 1xwd n LEU 109 CO 0.70 0.27 -0.22 -0.47 -0.00 0.00 0.00 177.39 177.67 1xwd s TYR 110 N -0.16 -0.21 -0.31 1.47 5.04 -1.00 -4.45 117.35 117.73 1xwd s TYR 110 Ca 0.02 0.24 -0.06 0.00 -2.44 0.00 0.00 57.07 54.83 1xwd s TYR 110 Cb 0.02 -0.37 0.03 0.00 0.35 0.00 0.00 41.96 41.98 1xwd s TYR 110 CO 0.02 -0.53 0.08 0.42 -1.34 0.00 0.00 175.55 174.20 1xwd s ILE 111 N 2.30 3.78 0.21 3.14 1.01 -1.26 -0.97 121.20 129.42 1xwd s ILE 111 Ca 0.05 -0.94 -0.32 0.00 0.00 0.00 0.00 60.65 59.44 1xwd s ILE 111 Cb -0.15 -3.05 -0.13 0.00 0.01 0.00 0.00 42.46 39.14 1xwd s ILE 111 CO -0.11 -0.04 1.54 -3.20 0.00 0.00 0.00 174.94 173.13 1xwd n ASN 112 N 4.82 3.17 0.02 3.58 2.85 0.11 -4.83 115.26 124.98 1xwd n ASN 112 Ca -0.14 1.11 0.01 0.00 -0.11 0.00 0.00 54.58 55.45 1xwd n ASN 112 Cb 0.46 -1.46 0.05 0.00 1.24 0.00 0.00 39.78 40.07 1xwd n ASN 112 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 1xwd n PRO 113 N 2.86 0.01 -0.63 1.20 -0.02 -1.26 -0.56 135.00 136.60 1xwd n PRO 113 Ca 0.14 0.39 0.01 0.00 -2.02 0.00 0.00 63.50 62.03 1xwd n PRO 113 Cb 0.31 -1.69 0.22 0.00 -0.02 0.00 0.00 33.50 32.32 1xwd n PRO 113 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1xwd n GLU 114 N -1.46 2.23 0.10 -0.52 1.02 -1.26 -4.60 120.64 116.14 1xwd n GLU 114 Ca -0.00 -3.01 -0.05 0.00 -0.02 0.00 0.00 57.16 54.08 1xwd n GLU 114 Cb 0.15 -1.81 0.10 0.00 -0.02 0.00 0.00 31.44 29.86 1xwd n GLU 114 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xwd h ALA 115 N 1.25 0.81 -3.09 0.62 0.00 -1.02 0.43 119.26 118.25 1xwd h ALA 115 Ca 0.13 -0.59 -0.66 0.00 0.00 0.00 0.00 54.91 53.79 1xwd h ALA 115 Cb 1.56 -0.09 -0.28 0.00 0.00 0.00 0.00 17.79 18.98 1xwd h ALA 115 CO 0.31 0.78 -0.74 -0.06 0.00 0.00 0.00 179.25 179.55 1xwd s PHE 116 N -3.60 2.91 -0.12 0.00 0.40 -1.26 -0.85 117.98 115.47 1xwd s PHE 116 Ca -0.03 -0.89 -0.08 0.00 -0.60 0.00 0.00 56.93 55.34 1xwd s PHE 116 Cb 0.12 -2.02 0.04 0.00 0.51 0.00 0.00 43.02 41.67 1xwd s PHE 116 CO 0.80 -0.46 0.30 -0.65 0.70 0.00 0.00 175.22 175.90 1xwd s GLN 117 N 1.13 0.29 -0.65 0.44 -0.21 0.05 -4.41 119.66 116.31 1xwd s GLN 117 Ca 0.01 0.54 -0.14 0.00 0.02 0.00 0.00 55.36 55.80 1xwd s GLN 117 Cb -0.14 -0.01 0.02 0.00 1.00 0.00 0.00 33.01 33.88 1xwd s GLN 117 CO -0.02 -0.12 0.64 -1.71 -2.12 0.00 0.00 175.29 171.96 1xwd n ASN 118 N 3.81 -5.94 -3.88 5.90 4.05 -0.28 -1.90 115.26 117.02 1xwd n ASN 118 Ca -0.21 -0.38 -0.29 0.00 0.45 0.00 0.00 54.58 54.15 1xwd n ASN 118 Cb 0.55 -2.76 -0.13 0.00 1.23 0.00 0.00 39.78 38.68 1xwd n ASN 118 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 1xwd s LEU 119 N -3.76 4.34 0.65 1.20 1.43 -0.14 -2.85 118.68 119.56 1xwd s LEU 119 Ca 0.15 -3.44 0.43 0.00 -1.03 0.00 0.00 54.13 50.24 1xwd s LEU 119 Cb -0.02 -1.54 2.30 0.00 0.03 0.00 0.00 46.19 46.96 1xwd s LEU 119 CO 0.85 -0.15 2.33 -0.65 0.23 0.00 0.00 176.35 178.96 1xwd h PRO 120 N 5.89 0.00 -0.24 1.29 0.11 -1.76 -2.88 132.00 134.42 1xwd h PRO 120 Ca 0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.17 1xwd h PRO 120 Cb 0.82 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.93 1xwd h PRO 120 CO 0.68 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.56 1xwd n ASN 121 N -3.14 2.74 -4.70 -2.05 3.02 -1.26 -0.86 115.26 109.02 1xwd n ASN 121 Ca -0.03 -2.12 -0.42 0.00 -0.03 0.00 0.00 54.58 51.99 1xwd n ASN 121 Cb 0.09 -0.20 -0.03 0.00 -0.61 0.00 0.00 39.78 39.03 1xwd n ASN 121 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1xwd s LEU 122 N -1.21 4.35 -0.05 3.41 2.96 -0.95 -4.01 118.68 123.18 1xwd s LEU 122 Ca 0.19 2.33 0.03 0.00 -0.22 0.00 0.00 54.13 56.46 1xwd s LEU 122 Cb 0.11 -3.57 -0.06 0.00 0.50 0.00 0.00 46.19 43.18 1xwd s LEU 122 CO 0.11 -0.77 -0.00 0.00 -1.32 0.00 0.00 176.35 174.37 1xwd n GLN 123 N 4.99 2.41 -3.73 1.98 6.02 0.12 -4.61 117.38 124.55 1xwd n GLN 123 Ca 0.14 0.01 -0.23 0.00 -0.01 0.00 0.00 57.00 56.91 1xwd n GLN 123 Cb 0.42 -1.13 -0.18 0.00 1.02 0.00 0.00 30.24 30.38 1xwd n GLN 123 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 1xwd s TYR 124 N -2.12 0.51 -0.28 1.08 5.04 -0.32 -0.60 117.35 120.67 1xwd s TYR 124 Ca -0.04 -0.11 0.02 0.00 -2.44 0.00 0.00 57.07 54.50 1xwd s TYR 124 Cb 0.02 -0.73 0.08 0.00 0.35 0.00 0.00 41.96 41.67 1xwd s TYR 124 CO 0.19 -0.32 -0.02 -1.17 -1.34 0.00 0.00 175.55 172.89 1xwd s LEU 125 N 2.02 3.30 -0.12 6.97 2.96 -0.74 -0.64 118.68 132.44 1xwd s LEU 125 Ca 0.04 -1.54 -0.02 0.00 -0.22 0.00 0.00 54.13 52.39 1xwd s LEU 125 Cb -0.13 -1.34 -0.03 0.00 0.50 0.00 0.00 46.19 45.19 1xwd s LEU 125 CO -0.05 -0.29 -0.03 -0.22 -1.32 0.00 0.00 176.35 174.44 1xwd s LEU 126 N 1.23 3.33 -0.30 -0.68 2.96 0.35 -0.92 118.68 124.65 1xwd s LEU 126 Ca -0.00 -0.03 -0.03 0.00 -0.22 0.00 0.00 54.13 53.85 1xwd s LEU 126 Cb -0.19 -1.77 0.10 0.00 0.50 0.00 0.00 46.19 44.83 1xwd s LEU 126 CO -0.09 0.27 0.13 -0.63 -1.32 0.00 0.00 176.35 174.71 1xwd s ILE 127 N -0.26 0.13 0.08 6.68 1.01 0.43 -0.67 121.20 128.61 1xwd s ILE 127 Ca 0.05 -0.94 0.09 0.00 0.00 0.00 0.00 60.65 59.85 1xwd s ILE 127 Cb -0.13 -1.13 -0.03 0.00 0.01 0.00 0.00 42.46 41.18 1xwd s ILE 127 CO 0.02 -0.73 -0.23 -0.44 0.00 0.00 0.00 174.94 173.56 1xwd s SER 128 N 1.95 3.51 -1.09 3.58 0.01 0.38 -2.29 113.70 119.75 1xwd s SER 128 Ca 0.10 -0.59 -0.12 0.00 1.31 0.00 0.00 55.95 56.65 1xwd s SER 128 Cb -0.17 -0.40 -0.04 0.00 0.21 0.00 0.00 66.02 65.62 1xwd s SER 128 CO -0.33 0.22 0.87 0.59 0.41 0.00 0.00 173.24 175.00 1xwd n ASN 129 N 1.30 -6.03 -4.25 2.44 3.02 -0.92 -1.26 115.26 109.55 1xwd n ASN 129 Ca -0.17 -0.83 -0.14 0.00 -0.03 0.00 0.00 54.58 53.41 1xwd n ASN 129 Cb 0.52 -4.49 -0.10 0.00 -0.61 0.00 0.00 39.78 35.11 1xwd n ASN 129 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1xwd s THR 130 N -3.42 0.98 -2.18 3.41 2.01 -1.24 -1.95 115.64 113.25 1xwd s THR 130 Ca 0.46 -2.02 0.18 0.00 0.31 0.00 0.00 61.69 60.61 1xwd s THR 130 Cb -0.10 -1.98 0.43 0.00 0.01 0.00 0.00 72.50 70.86 1xwd s THR 130 CO 0.79 -0.63 1.43 0.61 -0.69 0.00 0.00 174.62 176.13 1xwd n GLY 131 N -0.23 0.90 3.63 4.40 0.00 -0.41 -4.36 105.19 109.13 1xwd n GLY 131 Ca -0.09 -0.50 -0.40 0.00 0.00 0.00 0.00 46.02 45.02 1xwd n GLY 131 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1xwd n ILE 132 N 0.74 2.74 0.43 -0.61 -5.35 -0.79 -4.60 119.36 111.91 1xwd n ILE 132 Ca 0.16 -0.50 0.08 0.00 -0.27 0.00 0.00 62.75 62.22 1xwd n ILE 132 Cb 0.40 -1.26 0.10 0.00 -1.74 0.00 0.00 39.64 37.14 1xwd n ILE 132 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1xwd n LYS 133 N -0.13 1.56 -3.80 6.28 5.02 -1.26 -3.62 118.16 122.21 1xwd n LYS 133 Ca 0.10 -1.63 -0.12 0.00 -2.02 0.00 0.00 58.31 54.64 1xwd n LYS 133 Cb 0.41 -1.32 -0.08 0.00 -0.02 0.00 0.00 35.03 34.02 1xwd n LYS 133 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1xwd s HIS 134 N -1.22 -0.05 0.51 2.13 3.76 -1.26 -4.27 115.29 114.90 1xwd s HIS 134 Ca 0.22 -0.05 -0.22 0.00 -0.15 0.00 0.00 55.06 54.86 1xwd s HIS 134 Cb 0.14 0.03 -0.06 0.00 1.11 0.00 0.00 32.58 33.80 1xwd s HIS 134 CO 0.20 -0.41 1.27 -0.51 -0.85 0.00 0.00 174.74 174.43 1xwd s LEU 135 N -1.77 3.90 0.62 0.89 1.43 -1.26 -4.97 118.68 117.53 1xwd s LEU 135 Ca -0.09 2.55 -0.19 0.00 -1.03 0.00 0.00 54.13 55.37 1xwd s LEU 135 Cb -0.03 -4.28 -0.02 0.00 0.03 0.00 0.00 46.19 41.88 1xwd s LEU 135 CO -0.01 -1.30 1.32 -2.84 0.23 0.00 0.00 176.35 173.74 1xwd s PRO 136 N -2.85 2.69 -0.46 1.29 0.02 -1.26 -4.93 135.00 129.49 1xwd s PRO 136 Ca 0.69 2.12 -0.26 0.00 0.02 0.00 0.00 61.00 63.57 1xwd s PRO 136 Cb -0.35 -1.95 0.03 0.00 0.02 0.00 0.00 34.50 32.25 1xwd s PRO 136 CO 0.41 -1.51 0.93 0.34 -0.33 0.00 0.00 177.00 176.85 1xwd s ASP 137 N -1.27 6.50 0.00 2.53 -1.08 -1.26 -4.87 116.67 117.22 1xwd s ASP 137 Ca 0.80 0.13 0.08 0.00 -0.52 0.00 0.00 52.55 53.04 1xwd s ASP 137 Cb -0.39 -2.45 0.11 0.00 -1.46 0.00 0.00 42.92 38.73 1xwd s ASP 137 CO 0.42 -1.06 0.88 1.33 0.52 0.00 0.00 175.17 177.26 1xwd n VAL 138 N 6.44 0.26 0.30 1.11 0.24 -1.26 -4.49 118.33 120.92 1xwd n VAL 138 Ca 0.06 -0.63 0.15 0.00 -2.04 0.00 0.00 64.34 61.88 1xwd n VAL 138 Cb 0.49 1.00 0.68 0.00 -1.47 0.00 0.00 33.84 34.54 1xwd n VAL 138 CO 0.00 0.00 0.00 1.12 -2.14 0.00 0.00 176.83 175.81 1xwd h HIS 139 N 1.63 0.00 -0.48 6.34 2.07 -1.80 -2.21 115.15 120.70 1xwd h HIS 139 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1xwd h HIS 139 Cb 0.44 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.42 1xwd h HIS 139 CO 0.05 0.00 0.00 1.63 -3.07 0.00 0.00 177.93 176.54 1xwd n LYS 140 N -2.56 2.93 -0.04 5.12 5.02 -1.26 -4.19 118.16 123.18 1xwd n LYS 140 Ca -0.00 -2.37 -0.15 0.00 -2.02 0.00 0.00 58.31 53.77 1xwd n LYS 140 Cb 0.16 -1.46 -0.07 0.00 -0.02 0.00 0.00 35.03 33.64 1xwd n LYS 140 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1xwd h ILE 141 N 2.83 1.35 -5.38 -0.18 2.04 -1.20 -0.73 117.51 116.24 1xwd h ILE 141 Ca 0.00 -1.73 -0.29 0.00 1.00 0.00 0.00 64.86 63.84 1xwd h ILE 141 Cb 0.93 2.03 0.16 0.00 -0.74 0.00 0.00 36.82 39.21 1xwd h ILE 141 CO 0.04 0.53 -0.73 1.41 0.00 0.00 0.00 178.15 179.39 1xwd n HIS 142 N -4.24 -2.09 -2.70 1.37 8.25 0.13 -0.97 115.22 114.96 1xwd n HIS 142 Ca -0.07 0.86 -0.39 0.00 -0.26 0.00 0.00 57.72 57.86 1xwd n HIS 142 Cb 0.57 -4.71 -0.06 0.00 1.12 0.00 0.00 29.99 26.91 1xwd n HIS 142 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1xwd s SER 143 N -4.09 7.43 0.00 0.41 0.15 -0.58 -4.20 113.70 112.81 1xwd s SER 143 Ca 0.08 1.97 0.29 0.00 0.70 0.00 0.00 55.95 58.99 1xwd s SER 143 Cb -0.01 -2.60 1.19 0.00 -1.71 0.00 0.00 66.02 62.89 1xwd s SER 143 CO 0.68 -0.01 1.83 0.18 1.20 0.00 0.00 173.24 177.13 1xwd n LEU 144 N 1.03 0.71 -4.56 3.45 4.77 -0.04 -0.79 117.00 121.59 1xwd n LEU 144 Ca -0.00 -0.14 -0.24 0.00 -0.03 0.00 0.00 56.01 55.60 1xwd n LEU 144 Cb 0.48 -0.11 -0.09 0.00 -2.33 0.00 0.00 43.42 41.37 1xwd n LEU 144 CO 0.48 0.13 -0.40 -1.10 -1.33 0.00 0.00 177.39 175.18 1xwd s GLN 145 N -2.33 1.97 0.43 3.23 -0.21 -1.25 -4.73 119.66 116.76 1xwd s GLN 145 Ca 0.32 -1.64 -0.25 0.00 0.02 0.00 0.00 55.36 53.81 1xwd s GLN 145 Cb 0.20 -1.94 -0.09 0.00 1.00 0.00 0.00 33.01 32.18 1xwd s GLN 145 CO 0.44 0.31 1.28 1.63 -2.12 0.00 0.00 175.29 176.83 1xwd n LYS 146 N -0.77 1.92 -4.51 2.91 5.02 -1.26 -4.54 118.16 116.92 1xwd n LYS 146 Ca -0.05 0.68 -0.25 0.00 -2.02 0.00 0.00 58.31 56.67 1xwd n LYS 146 Cb 0.60 -2.40 -0.17 0.00 -0.02 0.00 0.00 35.03 33.05 1xwd n LYS 146 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1xwd s VAL 147 N -1.21 1.12 -0.34 -0.18 1.01 -0.92 -4.54 120.40 115.33 1xwd s VAL 147 Ca 0.62 -0.46 -0.13 0.00 0.00 0.00 0.00 61.98 62.01 1xwd s VAL 147 Cb -0.50 -1.04 -0.01 0.00 0.00 0.00 0.00 36.38 34.83 1xwd s VAL 147 CO 0.57 0.36 0.23 -0.22 0.00 0.00 0.00 175.10 176.04 1xwd s LEU 148 N 0.77 4.52 -0.35 3.92 2.96 0.23 0.32 118.68 131.05 1xwd s LEU 148 Ca -0.13 -0.49 -0.09 0.00 -0.22 0.00 0.00 54.13 53.20 1xwd s LEU 148 Cb -0.15 -2.12 0.02 0.00 0.50 0.00 0.00 46.19 44.44 1xwd s LEU 148 CO 0.02 -0.25 0.16 -0.22 -1.32 0.00 0.00 176.35 174.74 1xwd s LEU 149 N 1.70 4.42 -0.37 -0.68 2.96 0.43 -1.79 118.68 125.34 1xwd s LEU 149 Ca 0.06 -0.93 0.00 0.00 -0.22 0.00 0.00 54.13 53.03 1xwd s LEU 149 Cb -0.18 -1.96 0.10 0.00 0.50 0.00 0.00 46.19 44.66 1xwd s LEU 149 CO 0.10 -0.32 0.13 -0.62 -1.32 0.00 0.00 176.35 174.31 1xwd s ASP 150 N 1.51 5.03 -0.30 3.68 -1.08 -0.10 -0.66 116.67 124.76 1xwd s ASP 150 Ca 0.01 -2.04 0.02 0.00 -0.52 0.00 0.00 52.55 50.03 1xwd s ASP 150 Cb -0.19 -1.74 0.09 0.00 -1.46 0.00 0.00 42.92 39.62 1xwd s ASP 150 CO 0.05 -0.46 0.01 -0.63 0.52 0.00 0.00 175.17 174.67 1xwd s ILE 151 N 1.05 1.88 0.17 4.11 1.01 -0.32 -0.43 121.20 128.68 1xwd s ILE 151 Ca 0.08 -1.87 0.08 0.00 0.00 0.00 0.00 60.65 58.94 1xwd s ILE 151 Cb -0.21 -2.28 -0.04 0.00 0.01 0.00 0.00 42.46 39.93 1xwd s ILE 151 CO -0.06 -0.43 -0.15 -1.10 0.00 0.00 0.00 174.94 173.20 1xwd s GLN 152 N 1.15 1.25 -1.47 2.79 -0.21 -0.97 -3.60 119.66 118.59 1xwd s GLN 152 Ca 0.05 -1.46 -0.13 0.00 0.02 0.00 0.00 55.36 53.83 1xwd s GLN 152 Cb -0.19 -1.13 0.10 0.00 1.00 0.00 0.00 33.01 32.79 1xwd s GLN 152 CO -0.10 0.21 0.69 -0.25 -2.12 0.00 0.00 175.29 173.72 1xwd n ASP 153 N 0.01 -3.85 -4.11 5.90 8.00 -0.90 -2.17 116.55 119.43 1xwd n ASP 153 Ca -0.11 -0.67 -0.39 0.00 0.71 0.00 0.00 54.79 54.33 1xwd n ASP 153 Cb 0.59 -3.14 -0.04 0.00 -0.02 0.00 0.00 41.12 38.51 1xwd n ASP 153 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1xwd n ASN 154 N -2.52 4.89 0.25 -2.24 3.02 -1.24 -3.08 115.26 114.34 1xwd n ASN 154 Ca 0.03 -3.17 0.12 0.00 -0.03 0.00 0.00 54.58 51.53 1xwd n ASN 154 Cb 0.52 -1.15 0.64 0.00 -0.61 0.00 0.00 39.78 39.18 1xwd n ASN 154 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1xwd h ILE 155 N 3.76 0.00 -0.01 2.41 2.10 -1.81 -1.20 117.51 122.76 1xwd h ILE 155 Ca 0.18 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.12 1xwd h ILE 155 Cb 0.79 0.52 0.00 0.00 -1.09 0.00 0.00 36.82 37.04 1xwd h ILE 155 CO 0.98 0.00 -0.42 0.59 -1.08 0.00 0.00 178.15 178.22 1xwd n ASN 156 N -2.50 1.73 -4.60 2.19 3.02 -1.26 -4.12 115.26 109.72 1xwd n ASN 156 Ca -0.02 -1.33 -0.43 0.00 -0.03 0.00 0.00 54.58 52.77 1xwd n ASN 156 Cb 0.29 0.38 -0.02 0.00 -0.61 0.00 0.00 39.78 39.82 1xwd n ASN 156 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1xwd s ILE 157 N -2.49 4.24 -0.08 2.41 1.01 -0.46 -4.48 121.20 121.35 1xwd s ILE 157 Ca 0.20 1.29 0.15 0.00 0.00 0.00 0.00 60.65 62.28 1xwd s ILE 157 Cb 0.18 -4.58 -0.22 0.00 0.01 0.00 0.00 42.46 37.85 1xwd s ILE 157 CO 0.56 -0.95 0.22 1.41 0.00 0.00 0.00 174.94 176.18 1xwd n HIS 158 N 7.73 0.00 -4.22 3.97 8.25 -1.25 -1.73 115.22 127.97 1xwd n HIS 158 Ca 0.12 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.38 1xwd n HIS 158 Cb 0.49 -0.52 -0.12 0.00 1.12 0.00 0.00 29.99 30.96 1xwd n HIS 158 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1xwd s THR 159 N -2.77 1.35 -0.08 1.59 2.01 -1.26 0.23 115.64 116.71 1xwd s THR 159 Ca -0.06 -1.41 0.03 0.00 0.31 0.00 0.00 61.69 60.56 1xwd s THR 159 Cb 0.08 -1.27 0.01 0.00 0.01 0.00 0.00 72.50 71.32 1xwd s THR 159 CO 0.63 -0.17 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.58 1xwd s ILE 160 N -1.27 1.54 0.40 1.82 1.01 -0.20 -4.65 121.20 119.84 1xwd s ILE 160 Ca 0.02 -0.72 0.08 0.00 0.00 0.00 0.00 60.65 60.02 1xwd s ILE 160 Cb -0.10 -1.35 -0.05 0.00 0.01 0.00 0.00 42.46 40.96 1xwd s ILE 160 CO 0.03 0.44 0.14 -1.61 0.00 0.00 0.00 174.94 173.95 1xwd s GLU 161 N 0.46 2.19 -0.11 2.79 2.02 -1.26 -0.75 118.70 124.04 1xwd s GLU 161 Ca -0.15 -1.84 -0.41 0.00 0.02 0.00 0.00 54.97 52.59 1xwd s GLU 161 Cb -0.16 -1.96 -0.19 0.00 0.10 0.00 0.00 34.13 31.92 1xwd s GLU 161 CO 0.06 -0.07 1.26 0.54 0.02 0.00 0.00 175.26 177.07 1xwd n ARG 162 N -1.18 0.25 -3.41 1.61 5.12 -1.26 -2.75 116.66 115.04 1xwd n ARG 162 Ca -0.02 0.09 -0.20 0.00 -1.93 0.00 0.00 57.85 55.79 1xwd n ARG 162 Cb 0.64 -1.62 0.05 0.00 -1.16 0.00 0.00 32.46 30.37 1xwd n ARG 162 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1xwd n ASN 163 N 2.41 -6.23 0.07 0.55 3.02 0.43 -4.90 115.26 110.61 1xwd n ASN 163 Ca 0.22 -0.76 0.12 0.00 -0.03 0.00 0.00 54.58 54.13 1xwd n ASN 163 Cb 0.07 -4.39 0.13 0.00 -0.61 0.00 0.00 39.78 34.98 1xwd n ASN 163 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1xwd h SER 164 N -1.18 0.00 0.00 6.41 0.02 -0.89 -3.38 113.55 114.53 1xwd h SER 164 Ca -0.56 -0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.21 1xwd h SER 164 Cb 1.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.83 1xwd h SER 164 CO 0.44 0.09 0.00 0.49 -1.14 0.00 0.00 176.83 176.71 1xwd n PHE 165 N -2.22 0.00 -2.01 3.45 3.72 -1.25 -4.60 117.46 114.55 1xwd n PHE 165 Ca 0.03 -0.20 -0.37 0.00 -0.05 0.00 0.00 57.45 56.86 1xwd n PHE 165 Cb 0.46 -0.02 0.03 0.00 -0.94 0.00 0.00 39.48 39.01 1xwd n PHE 165 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1xwd s VAL 166 N -0.39 2.60 0.00 -4.37 1.01 -1.26 -3.20 120.40 114.79 1xwd s VAL 166 Ca 0.00 0.41 0.00 0.00 0.00 0.00 0.00 61.98 62.39 1xwd s VAL 166 Cb 0.00 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.20 1xwd s VAL 166 CO 0.00 -0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.66 1xwd n GLY 167 N 0.55 1.91 0.19 4.51 0.00 -1.26 -3.50 105.19 107.59 1xwd n GLY 167 Ca 0.11 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.04 1xwd n GLY 167 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1xwd h LEU 168 N 0.00 0.55 -7.35 0.99 5.85 -1.49 0.36 115.31 114.23 1xwd h LEU 168 Ca 0.00 -0.17 -0.08 0.00 0.84 0.00 0.00 57.88 58.47 1xwd h LEU 168 Cb 0.00 -0.14 -0.17 0.00 0.37 0.00 0.00 40.66 40.72 1xwd h LEU 168 CO 0.00 0.57 -0.09 -0.55 -0.34 0.00 0.00 178.44 178.04 1xwd s SER 169 N -5.86 -0.31 0.00 1.25 0.15 -1.26 -1.53 113.70 106.14 1xwd s SER 169 Ca -0.13 0.05 0.21 0.00 0.70 0.00 0.00 55.95 56.78 1xwd s SER 169 Cb 0.10 0.43 0.58 0.00 -1.71 0.00 0.00 66.02 65.42 1xwd s SER 169 CO 0.75 -0.66 1.46 0.49 1.20 0.00 0.00 173.24 176.49 1xwd n PHE 170 N 0.55 0.36 -3.32 3.44 3.72 0.03 -4.82 117.46 117.43 1xwd n PHE 170 Ca -0.19 -0.18 0.00 0.00 -0.05 0.00 0.00 57.45 57.03 1xwd n PHE 170 Cb 0.60 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.14 1xwd n PHE 170 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1xwd n GLU 171 N 0.86 2.46 -1.81 -1.08 -0.58 -1.26 -5.05 120.64 114.17 1xwd n GLU 171 Ca 0.17 0.00 -0.38 0.00 -0.42 0.00 0.00 57.16 56.53 1xwd n GLU 171 Cb 0.45 0.00 0.04 0.00 -0.57 0.00 0.00 31.44 31.36 1xwd n GLU 171 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1xwd s SER 172 N 0.36 5.28 0.01 1.62 0.15 -1.26 -4.51 113.70 115.34 1xwd s SER 172 Ca 0.00 2.72 0.02 0.00 0.70 0.00 0.00 55.95 59.39 1xwd s SER 172 Cb 0.00 -2.63 -0.01 0.00 -1.71 0.00 0.00 66.02 61.67 1xwd s SER 172 CO 0.00 -1.56 -0.07 0.54 1.20 0.00 0.00 173.24 173.35 1xwd s VAL 173 N -1.33 0.50 -0.23 4.45 0.11 -0.64 -2.17 120.40 121.08 1xwd s VAL 173 Ca 0.72 -0.51 -0.03 0.00 -2.93 0.00 0.00 61.98 59.23 1xwd s VAL 173 Cb -0.39 -0.47 0.00 0.00 -1.53 0.00 0.00 36.38 33.99 1xwd s VAL 173 CO 0.46 -0.02 -0.05 -0.63 -3.33 0.00 0.00 175.10 171.53 1xwd s ILE 174 N -0.51 3.19 -0.24 7.04 1.01 0.15 -1.55 121.20 130.28 1xwd s ILE 174 Ca -0.01 -0.67 -0.08 0.00 0.00 0.00 0.00 60.65 59.88 1xwd s ILE 174 Cb -0.05 -2.50 -0.03 0.00 0.01 0.00 0.00 42.46 39.89 1xwd s ILE 174 CO 0.00 0.35 0.09 -0.76 0.00 0.00 0.00 174.94 174.62 1xwd s LEU 175 N 1.43 3.59 -0.80 2.97 1.43 -0.56 -0.43 118.68 126.31 1xwd s LEU 175 Ca 0.04 -0.13 0.01 0.00 -1.03 0.00 0.00 54.13 53.02 1xwd s LEU 175 Cb -0.15 -1.96 0.20 0.00 0.03 0.00 0.00 46.19 44.30 1xwd s LEU 175 CO -0.04 -0.00 0.64 0.26 0.23 0.00 0.00 176.35 177.44 1xwd s TRP 176 N 1.44 3.74 -0.62 0.29 0.51 0.17 -0.70 118.94 123.78 1xwd s TRP 176 Ca 0.06 -3.16 -0.02 0.00 -2.12 0.00 0.00 56.10 50.86 1xwd s TRP 176 Cb -0.15 -3.01 0.42 0.00 -0.81 0.00 0.00 33.47 29.91 1xwd s TRP 176 CO 0.05 -0.66 2.04 1.28 -0.51 0.00 0.00 176.95 179.14 1xwd n LEU 177 N 2.22 7.53 -4.92 2.99 4.77 -0.07 -1.17 117.00 128.36 1xwd n LEU 177 Ca 0.20 -4.14 -0.26 0.00 -0.03 0.00 0.00 56.01 51.78 1xwd n LEU 177 Cb 0.36 -0.99 -0.00 0.00 -2.33 0.00 0.00 43.42 40.46 1xwd n LEU 177 CO 0.32 1.43 0.37 0.54 -1.33 0.00 0.00 177.39 178.73 1xwd s ASN 178 N -1.53 6.22 -1.73 -1.43 4.22 -0.57 -4.38 114.94 115.73 1xwd s ASN 178 Ca 0.60 0.77 0.00 0.00 -2.14 0.00 0.00 52.86 52.09 1xwd s ASN 178 Cb 0.47 -2.14 0.00 0.00 1.28 0.00 0.00 41.25 40.86 1xwd s ASN 178 CO -0.01 -0.54 0.00 0.29 -2.04 0.00 0.00 177.10 174.80 1xwd n LYS 179 N -2.15 -1.72 0.00 3.55 5.02 -0.69 -3.72 118.16 118.46 1xwd n LYS 179 Ca -0.01 0.98 0.00 0.00 -2.02 0.00 0.00 58.31 57.26 1xwd n LYS 179 Cb 0.56 -5.59 0.00 0.00 -0.02 0.00 0.00 35.03 29.97 1xwd n LYS 179 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1xwd n ASN 180 N -1.86 0.00 -1.45 4.39 3.02 -1.26 -2.12 115.26 115.97 1xwd n ASN 180 Ca -0.23 0.00 -0.03 0.00 -0.03 0.00 0.00 54.58 54.29 1xwd n ASN 180 Cb 0.67 0.00 0.10 0.00 -0.61 0.00 0.00 39.78 39.94 1xwd n ASN 180 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xwd n GLY 181 N 5.00 4.22 3.74 7.41 0.00 -0.99 -4.66 105.19 119.91 1xwd n GLY 181 Ca 0.00 -1.55 -0.41 0.00 0.00 0.00 0.00 46.02 44.06 1xwd n GLY 181 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xwd s ILE 182 N -3.03 2.78 0.00 -0.61 1.01 -0.71 -3.96 121.20 116.67 1xwd s ILE 182 Ca 0.39 0.64 0.00 0.00 0.00 0.00 0.00 60.65 61.68 1xwd s ILE 182 Cb 0.38 -3.41 0.00 0.00 0.01 0.00 0.00 42.46 39.44 1xwd s ILE 182 CO -0.06 0.10 0.00 0.00 0.00 0.00 0.00 174.94 174.98 1xwd n GLN 183 N 2.50 2.35 -3.69 2.79 6.02 0.14 -2.64 117.38 124.84 1xwd n GLN 183 Ca 0.07 0.00 -0.16 0.00 -0.01 0.00 0.00 57.00 56.90 1xwd n GLN 183 Cb 0.41 -0.83 -0.16 0.00 1.02 0.00 0.00 30.24 30.68 1xwd n GLN 183 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1xwd s GLU 184 N -1.50 0.03 -0.38 -1.09 2.02 -0.93 -4.57 118.70 112.29 1xwd s GLU 184 Ca 0.00 0.47 -0.09 0.00 0.02 0.00 0.00 54.97 55.38 1xwd s GLU 184 Cb 0.00 -0.27 0.05 0.00 0.10 0.00 0.00 34.13 34.01 1xwd s GLU 184 CO 0.00 -0.26 0.20 0.42 0.02 0.00 0.00 175.26 175.63 1xwd s ILE 185 N 1.91 4.17 0.84 -1.63 1.01 -1.26 -1.04 121.20 125.20 1xwd s ILE 185 Ca -0.01 -1.18 -0.11 0.00 0.00 0.00 0.00 60.65 59.36 1xwd s ILE 185 Cb -0.12 -3.44 0.09 0.00 0.01 0.00 0.00 42.46 39.01 1xwd s ILE 185 CO -0.05 -0.33 1.10 -1.00 0.00 0.00 0.00 174.94 174.65 1xwd s HIS 186 N 1.45 2.36 0.44 3.97 3.76 0.07 -4.46 115.29 122.88 1xwd s HIS 186 Ca 0.01 1.48 -0.25 0.00 -0.15 0.00 0.00 55.06 56.16 1xwd s HIS 186 Cb -0.21 -3.12 -0.08 0.00 1.11 0.00 0.00 32.58 30.29 1xwd s HIS 186 CO 0.03 -2.15 1.28 -0.80 -0.85 0.00 0.00 174.74 172.26 1xwd s ASN 187 N -3.30 6.11 -1.31 1.40 0.01 -1.26 -2.75 114.94 113.85 1xwd s ASN 187 Ca 0.63 2.59 -0.03 0.00 -0.71 0.00 0.00 52.86 55.34 1xwd s ASN 187 Cb -0.18 -2.63 0.00 0.00 0.41 0.00 0.00 41.25 38.85 1xwd s ASN 187 CO 0.57 -0.98 0.41 0.00 -1.51 0.00 0.00 177.10 175.58 1xwd h ALA 189 N 0.82 0.38 -0.52 0.00 0.00 -1.65 1.25 119.26 119.53 1xwd h ALA 189 Ca -0.43 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.25 1xwd h ALA 189 Cb 1.30 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1xwd h ALA 189 CO 0.47 0.13 0.00 1.19 0.00 0.00 0.00 179.25 181.04 1xwd n PHE 190 N -4.58 1.83 -1.64 0.00 3.72 -1.24 -1.03 117.46 114.53 1xwd n PHE 190 Ca -0.03 -0.75 -0.46 0.00 -0.05 0.00 0.00 57.45 56.17 1xwd n PHE 190 Cb 0.26 -0.46 -0.03 0.00 -0.94 0.00 0.00 39.48 38.31 1xwd n PHE 190 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1xwd n ASN 191 N 0.46 2.19 -3.39 4.37 5.15 -1.19 -2.80 115.26 120.04 1xwd n ASN 191 Ca 0.26 1.15 -0.20 0.00 -0.60 0.00 0.00 54.58 55.20 1xwd n ASN 191 Cb 1.12 -1.36 0.08 0.00 -0.53 0.00 0.00 39.78 39.10 1xwd n ASN 191 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1xwd n GLY 192 N 1.91 -0.41 2.97 8.20 0.00 0.28 -4.23 105.19 113.91 1xwd n GLY 192 Ca 0.12 0.16 -0.11 0.00 0.00 0.00 0.00 46.02 46.18 1xwd n GLY 192 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1xwd s THR 193 N -3.32 0.03 -0.77 2.61 -1.32 -1.12 -4.54 115.64 107.21 1xwd s THR 193 Ca 0.33 -0.25 -0.15 0.00 -1.21 0.00 0.00 61.69 60.40 1xwd s THR 193 Cb -0.14 -0.17 0.18 0.00 -1.51 0.00 0.00 72.50 70.86 1xwd s THR 193 CO 0.70 -0.14 0.77 -1.10 -2.21 0.00 0.00 174.62 172.63 1xwd s GLN 194 N -0.41 3.46 -0.20 7.08 -0.21 -1.26 -1.60 119.66 126.51 1xwd s GLN 194 Ca -0.05 -2.15 -0.29 0.00 0.02 0.00 0.00 55.36 52.89 1xwd s GLN 194 Cb -0.03 -4.46 -0.01 0.00 1.00 0.00 0.00 33.01 29.51 1xwd s GLN 194 CO 0.00 -1.38 1.23 -0.51 -2.12 0.00 0.00 175.29 172.51 1xwd s LEU 195 N 0.95 4.11 -0.18 2.90 1.02 -1.26 -1.62 118.68 124.60 1xwd s LEU 195 Ca 0.17 1.55 -0.09 0.00 0.02 0.00 0.00 54.13 55.78 1xwd s LEU 195 Cb -0.14 -3.54 -0.21 0.00 0.02 0.00 0.00 46.19 42.32 1xwd s LEU 195 CO -0.06 -0.80 0.14 -0.67 0.02 0.00 0.00 176.35 174.98 1xwd n ASP 196 N 6.74 2.02 -3.73 2.29 2.03 -0.60 -3.63 116.55 121.67 1xwd n ASP 196 Ca 0.14 0.20 -0.13 0.00 0.52 0.00 0.00 54.79 55.51 1xwd n ASP 196 Cb 0.45 -0.79 -0.09 0.00 -0.72 0.00 0.00 41.12 39.97 1xwd n ASP 196 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 1xwd s GLU 197 N -2.50 0.57 -0.05 -0.67 2.12 -1.25 -2.48 118.70 114.44 1xwd s GLU 197 Ca -0.28 0.26 -0.00 0.00 0.36 0.00 0.00 54.97 55.31 1xwd s GLU 197 Cb 0.08 0.27 0.03 0.00 0.26 0.00 0.00 34.13 34.76 1xwd s GLU 197 CO 0.67 -0.12 -0.01 -1.17 -0.54 0.00 0.00 175.26 174.09 1xwd s LEU 198 N -0.42 0.98 -0.30 2.70 2.96 -0.37 -1.50 118.68 122.73 1xwd s LEU 198 Ca -0.06 -0.06 0.03 0.00 -0.22 0.00 0.00 54.13 53.82 1xwd s LEU 198 Cb -0.03 -0.34 0.08 0.00 0.50 0.00 0.00 46.19 46.39 1xwd s LEU 198 CO 0.02 -0.12 -0.02 0.21 -1.32 0.00 0.00 176.35 175.12 1xwd s ASN 199 N 1.34 4.56 -0.25 3.68 3.84 0.13 -1.44 114.94 126.79 1xwd s ASN 199 Ca -0.05 -1.77 0.12 0.00 0.21 0.00 0.00 52.86 51.37 1xwd s ASN 199 Cb -0.13 -1.55 0.53 0.00 -0.55 0.00 0.00 41.25 39.55 1xwd s ASN 199 CO -0.02 -0.29 1.48 0.18 -2.79 0.00 0.00 177.10 175.65 1xwd n LEU 200 N 4.37 4.19 -4.79 3.21 4.77 -0.44 -0.89 117.00 127.42 1xwd n LEU 200 Ca -0.05 -3.41 -0.30 0.00 -0.03 0.00 0.00 56.01 52.22 1xwd n LEU 200 Cb 0.42 -0.61 0.09 0.00 -2.33 0.00 0.00 43.42 41.00 1xwd n LEU 200 CO 0.21 0.97 0.70 -0.94 -1.33 0.00 0.00 177.39 177.00 1xwd s SER 201 N -2.17 4.46 -1.50 -1.43 1.04 -1.01 -3.71 113.70 109.38 1xwd s SER 201 Ca 0.44 1.44 0.00 0.00 0.48 0.00 0.00 55.95 58.31 1xwd s SER 201 Cb 0.38 -2.19 0.00 0.00 0.10 0.00 0.00 66.02 64.32 1xwd s SER 201 CO 0.05 -2.01 0.00 0.47 0.98 0.00 0.00 173.24 172.73 1xwd n ASP 202 N -3.47 -4.55 -4.41 7.02 8.00 -0.56 -1.70 116.55 116.87 1xwd n ASP 202 Ca 0.07 0.35 -0.45 0.00 0.71 0.00 0.00 54.79 55.48 1xwd n ASP 202 Cb 0.55 -3.86 -0.01 0.00 -0.02 0.00 0.00 41.12 37.78 1xwd n ASP 202 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1xwd s ASN 203 N -2.30 6.94 0.56 -2.24 0.01 -1.24 -4.12 114.94 112.54 1xwd s ASN 203 Ca 0.00 -2.78 0.33 0.00 -0.71 0.00 0.00 52.86 49.69 1xwd s ASN 203 Cb 0.00 -2.33 1.77 0.00 0.41 0.00 0.00 41.25 41.10 1xwd s ASN 203 CO 0.00 -0.72 1.99 0.78 -1.51 0.00 0.00 177.10 177.64 1xwd h ASN 204 N 7.66 0.00 -0.24 -1.22 2.35 -1.85 -1.75 115.58 120.52 1xwd h ASN 204 Ca 0.21 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.96 1xwd h ASN 204 Cb 0.95 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.32 1xwd h ASN 204 CO 1.07 0.00 0.00 0.59 -1.65 0.00 0.00 177.43 177.44 1xwd n ASN 205 N -2.75 2.69 -4.59 5.81 3.02 -1.26 -4.37 115.26 113.81 1xwd n ASN 205 Ca -0.02 -1.81 -0.43 0.00 -0.03 0.00 0.00 54.58 52.29 1xwd n ASN 205 Cb 0.18 -0.16 -0.02 0.00 -0.61 0.00 0.00 39.78 39.17 1xwd n ASN 205 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1xwd s LEU 206 N -1.06 3.61 0.00 3.41 2.96 -0.66 -4.61 118.68 122.33 1xwd s LEU 206 Ca 0.23 0.30 0.00 0.00 -0.22 0.00 0.00 54.13 54.44 1xwd s LEU 206 Cb 0.13 -3.38 0.00 0.00 0.50 0.00 0.00 46.19 43.44 1xwd s LEU 206 CO 0.18 -1.32 0.00 -1.84 -1.32 0.00 0.00 176.35 172.06 1xwd n GLU 207 N 7.99 5.21 -3.81 1.98 0.28 -1.26 -0.65 120.64 130.38 1xwd n GLU 207 Ca 0.10 0.00 -0.28 0.00 -0.16 0.00 0.00 57.16 56.82 1xwd n GLU 207 Cb 0.49 -0.59 -0.16 0.00 1.43 0.00 0.00 31.44 32.61 1xwd n GLU 207 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 1xwd s GLU 208 N -1.17 1.02 -0.43 3.44 -6.30 -1.26 -3.73 118.70 110.27 1xwd s GLU 208 Ca 0.00 -0.58 -0.17 0.00 -2.50 0.00 0.00 54.97 51.72 1xwd s GLU 208 Cb 0.00 -2.21 0.03 0.00 0.00 0.00 0.00 34.13 31.95 1xwd s GLU 208 CO 0.00 -0.60 0.41 -0.51 0.02 0.00 0.00 175.26 174.59 1xwd s LEU 209 N 1.70 5.01 0.95 2.70 1.43 -1.26 -4.55 118.68 124.66 1xwd s LEU 209 Ca -0.02 -0.82 -0.12 0.00 -1.03 0.00 0.00 54.13 52.14 1xwd s LEU 209 Cb -0.17 -2.31 0.07 0.00 0.03 0.00 0.00 46.19 43.80 1xwd s LEU 209 CO -0.07 -0.58 0.61 -2.65 0.23 0.00 0.00 176.35 173.89 1xwd n PRO 210 N 5.49 -0.37 -0.18 1.29 -0.02 -1.26 -4.68 135.00 135.27 1xwd n PRO 210 Ca -0.09 -0.06 -0.08 0.00 -2.02 0.00 0.00 63.50 61.25 1xwd n PRO 210 Cb 0.47 -2.00 0.06 0.00 -0.02 0.00 0.00 33.50 32.01 1xwd n PRO 210 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 1xwd h ASN 211 N -1.67 0.98 -0.98 2.55 -0.26 -1.98 -3.20 115.58 111.01 1xwd h ASN 211 Ca -0.44 -0.28 -0.67 0.00 -0.56 0.00 0.00 56.30 54.36 1xwd h ASN 211 Cb 1.28 -0.26 -0.30 0.00 -1.06 0.00 0.00 38.32 37.98 1xwd h ASN 211 CO 0.36 1.04 0.78 0.47 -1.06 0.00 0.00 177.43 179.02 1xwd n ASP 212 N -4.18 7.40 0.17 5.81 8.00 -1.26 -4.58 116.55 127.91 1xwd n ASP 212 Ca 0.03 -3.78 0.02 0.00 0.71 0.00 0.00 54.79 51.76 1xwd n ASP 212 Cb 0.35 -0.94 0.29 0.00 -0.02 0.00 0.00 41.12 40.80 1xwd n ASP 212 CO 0.00 0.00 0.00 -0.37 -0.39 0.00 0.00 177.20 176.44 1xwd h VAL 213 N 1.06 1.27 -0.47 2.53 -1.51 -1.87 -2.59 116.25 114.67 1xwd h VAL 213 Ca 0.60 -1.63 0.00 0.00 -1.23 0.00 0.00 66.70 64.44 1xwd h VAL 213 Cb 0.93 1.89 0.00 0.00 -2.13 0.00 0.00 31.29 31.98 1xwd h VAL 213 CO 1.53 0.46 0.00 0.49 -1.23 0.00 0.00 177.57 178.82 1xwd n PHE 214 N -3.89 0.99 -1.93 5.19 3.72 -1.26 -3.59 117.46 116.69 1xwd n PHE 214 Ca -0.01 -0.62 -0.41 0.00 -0.05 0.00 0.00 57.45 56.35 1xwd n PHE 214 Cb 0.50 -0.17 -0.02 0.00 -0.94 0.00 0.00 39.48 38.85 1xwd n PHE 214 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 1xwd s HIS 215 N -1.70 2.91 0.00 1.38 2.46 -1.19 -1.47 115.29 117.69 1xwd s HIS 215 Ca 0.40 0.98 0.00 0.00 0.47 0.00 0.00 55.06 56.90 1xwd s HIS 215 Cb 0.26 -3.90 0.00 0.00 -0.13 0.00 0.00 32.58 28.80 1xwd s HIS 215 CO 0.19 -2.94 0.00 0.41 -2.47 0.00 0.00 174.74 169.93 1xwd n GLY 216 N 2.02 1.05 3.94 1.59 0.00 -1.26 -3.60 105.19 108.93 1xwd n GLY 216 Ca 0.06 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.83 1xwd n GLY 216 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xwd s ALA 217 N -2.66 3.94 -0.98 4.61 0.00 -0.54 -0.55 121.76 125.57 1xwd s ALA 217 Ca 0.00 -1.02 0.03 0.00 0.00 0.00 0.00 51.96 50.97 1xwd s ALA 217 Cb 0.00 -1.82 0.14 0.00 0.00 0.00 0.00 23.12 21.45 1xwd s ALA 217 CO 0.00 0.48 0.76 0.43 0.00 0.00 0.00 175.76 177.43 1xwd n SER 218 N -0.68 1.72 -1.75 0.00 7.64 -0.63 -4.95 113.62 114.97 1xwd n SER 218 Ca -0.07 -2.15 0.00 0.00 1.01 0.00 0.00 58.87 57.66 1xwd n SER 218 Cb 0.54 -0.49 0.00 0.00 -1.01 0.00 0.00 64.21 63.25 1xwd n SER 218 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xwd n GLY 219 N 0.17 -4.83 3.68 0.23 0.00 -1.26 -4.60 105.19 98.58 1xwd n GLY 219 Ca 0.05 -0.62 -0.42 0.00 0.00 0.00 0.00 46.02 45.03 1xwd n GLY 219 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1xwd s PRO 220 N -3.35 4.19 0.23 1.61 0.02 -1.26 -4.46 135.00 131.99 1xwd s PRO 220 Ca 0.00 2.33 -0.00 0.00 0.02 0.00 0.00 61.00 63.35 1xwd s PRO 220 Cb 0.00 -3.71 0.25 0.00 0.02 0.00 0.00 34.50 31.05 1xwd s PRO 220 CO 0.00 -0.77 1.60 0.28 -0.33 0.00 0.00 177.00 177.78 1xwd h VAL 221 N 5.01 1.30 -3.22 3.83 2.07 -1.55 -3.29 116.25 120.41 1xwd h VAL 221 Ca -0.43 -1.57 -0.55 0.00 0.82 0.00 0.00 66.70 64.97 1xwd h VAL 221 Cb 1.20 1.58 -0.36 0.00 -1.52 0.00 0.00 31.29 32.20 1xwd h VAL 221 CO 0.93 0.49 -0.82 -0.63 0.02 0.00 0.00 177.57 177.57 1xwd s ILE 222 N -4.22 1.25 0.01 4.57 1.01 -1.10 0.29 121.20 123.02 1xwd s ILE 222 Ca -0.07 -0.46 0.09 0.00 0.00 0.00 0.00 60.65 60.20 1xwd s ILE 222 Cb 0.12 -1.20 -0.02 0.00 0.01 0.00 0.00 42.46 41.37 1xwd s ILE 222 CO 0.82 0.40 -0.26 -0.22 0.00 0.00 0.00 174.94 175.68 1xwd s LEU 223 N 1.35 2.11 -0.26 2.97 2.96 0.39 -1.23 118.68 126.97 1xwd s LEU 223 Ca -0.00 -0.53 -0.03 0.00 -0.22 0.00 0.00 54.13 53.35 1xwd s LEU 223 Cb -0.14 -1.30 0.09 0.00 0.50 0.00 0.00 46.19 45.34 1xwd s LEU 223 CO -0.06 0.28 0.09 -0.62 -1.32 0.00 0.00 176.35 174.73 1xwd s ASP 224 N -0.93 3.41 -0.11 3.68 -1.08 -0.52 -2.21 116.67 118.91 1xwd s ASP 224 Ca 0.11 -1.21 0.14 0.00 -0.52 0.00 0.00 52.55 51.07 1xwd s ASP 224 Cb -0.10 -0.56 0.42 0.00 -1.46 0.00 0.00 42.92 41.22 1xwd s ASP 224 CO 0.01 -0.39 1.33 2.30 0.52 0.00 0.00 175.17 178.94 1xwd n ILE 225 N 5.08 1.77 -1.24 4.11 -5.35 -0.57 -1.33 119.36 121.84 1xwd n ILE 225 Ca -0.06 -1.57 -0.37 0.00 -0.27 0.00 0.00 62.75 60.49 1xwd n ILE 225 Cb 0.44 0.03 0.05 0.00 -1.74 0.00 0.00 39.64 38.42 1xwd n ILE 225 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 1xwd n SER 226 N -0.22 -2.30 -4.09 7.28 7.64 -1.19 -3.24 113.62 117.50 1xwd n SER 226 Ca 0.17 0.57 -0.28 0.00 1.01 0.00 0.00 58.87 60.33 1xwd n SER 226 Cb 0.69 -1.08 -0.09 0.00 -1.01 0.00 0.00 64.21 62.73 1xwd n SER 226 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1xwd n ARG 227 N 0.18 -0.93 -1.76 1.43 1.74 -0.34 -1.50 116.66 115.47 1xwd n ARG 227 Ca 0.08 0.08 0.00 0.00 -0.77 0.00 0.00 57.85 57.24 1xwd n ARG 227 Cb 0.50 -3.22 0.00 0.00 -1.02 0.00 0.00 32.46 28.72 1xwd n ARG 227 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1xwd n THR 228 N -4.08 0.00 -1.10 0.55 -2.24 -1.20 -3.67 114.28 102.54 1xwd n THR 228 Ca -0.25 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.60 1xwd n THR 228 Cb 0.59 0.00 0.21 0.00 -2.10 0.00 0.00 70.33 69.03 1xwd n THR 228 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1xwd n ARG 229 N 0.00 2.21 -2.60 -0.78 1.74 0.18 -4.43 116.66 112.98 1xwd n ARG 229 Ca 0.00 -2.82 -0.42 0.00 -0.77 0.00 0.00 57.85 53.84 1xwd n ARG 229 Cb 0.00 -1.72 -0.03 0.00 -1.02 0.00 0.00 32.46 29.69 1xwd n ARG 229 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1xwd s ILE 230 N -2.92 4.57 -0.38 0.55 1.01 -1.17 -4.47 121.20 118.40 1xwd s ILE 230 Ca 0.39 1.85 0.08 0.00 0.00 0.00 0.00 60.65 62.97 1xwd s ILE 230 Cb 0.33 -4.18 -0.09 0.00 0.01 0.00 0.00 42.46 38.53 1xwd s ILE 230 CO 0.05 0.09 0.34 1.41 0.00 0.00 0.00 174.94 176.83 1xwd n HIS 231 N 4.36 0.00 -3.60 3.97 8.25 -1.26 -4.97 115.22 121.97 1xwd n HIS 231 Ca 0.08 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.42 1xwd n HIS 231 Cb 0.49 -0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.54 1xwd n HIS 231 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1xwd s SER 232 N -1.78 -0.34 -0.02 0.41 0.15 -1.26 -5.17 113.70 105.69 1xwd s SER 232 Ca 0.03 -0.06 0.05 0.00 0.70 0.00 0.00 55.95 56.66 1xwd s SER 232 Cb 0.06 0.48 -0.03 0.00 -1.71 0.00 0.00 66.02 64.82 1xwd s SER 232 CO 0.33 -0.78 -0.15 -1.48 1.20 0.00 0.00 173.24 172.37 1xwd s LEU 233 N -2.35 2.73 1.13 3.45 0.05 -1.26 -4.76 118.68 117.66 1xwd s LEU 233 Ca -0.02 -0.25 -0.17 0.00 0.05 0.00 0.00 54.13 53.74 1xwd s LEU 233 Cb 0.00 -1.57 0.16 0.00 -2.05 0.00 0.00 46.19 42.73 1xwd s LEU 233 CO -0.07 0.32 0.33 -2.65 -0.55 0.00 0.00 176.35 173.73 1xwd n PRO 234 N 2.04 -1.77 -0.06 1.48 -0.02 -1.26 -4.97 135.00 130.44 1xwd n PRO 234 Ca -0.17 -0.49 -0.18 0.00 -2.02 0.00 0.00 63.50 60.64 1xwd n PRO 234 Cb 0.52 -1.85 -0.13 0.00 -0.02 0.00 0.00 33.50 32.02 1xwd n PRO 234 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1xwd h SER 235 N -2.22 0.10 -3.76 2.55 0.87 -1.96 -3.45 113.55 105.69 1xwd h SER 235 Ca -0.55 -0.85 -0.49 0.00 -1.23 0.00 0.00 61.79 58.67 1xwd h SER 235 Cb 1.35 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 63.26 1xwd h SER 235 CO 0.41 1.25 0.36 -0.47 -0.53 0.00 0.00 176.83 177.86 1xwd s TYR 236 N -2.31 3.94 0.00 2.24 5.04 -1.26 -4.26 117.35 120.73 1xwd s TYR 236 Ca -0.21 1.89 0.00 0.00 -2.44 0.00 0.00 57.07 56.31 1xwd s TYR 236 Cb 0.01 -3.02 0.00 0.00 0.35 0.00 0.00 41.96 39.30 1xwd s TYR 236 CO 0.69 0.34 0.00 0.41 -1.34 0.00 0.00 175.55 175.65 1xwd n GLY 237 N 1.44 2.17 1.79 8.97 0.00 -1.26 -4.72 105.19 113.58 1xwd n GLY 237 Ca -0.02 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.84 1xwd n GLY 237 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xwd n LEU 238 N 0.00 5.59 -0.03 0.99 4.32 -1.26 -4.25 117.00 122.36 1xwd n LEU 238 Ca 0.00 -2.94 0.15 0.00 -0.02 0.00 0.00 56.01 53.20 1xwd n LEU 238 Cb 0.00 -0.78 0.80 0.00 -1.62 0.00 0.00 43.42 41.82 1xwd n LEU 238 CO 0.00 0.93 1.03 -1.84 -1.22 0.00 0.00 177.39 176.29 1xwd n GLU 239 N -0.35 0.72 0.00 3.23 0.28 -1.26 -3.36 120.64 119.89 1xwd n GLU 239 Ca 0.36 -0.07 0.00 0.00 -0.16 0.00 0.00 57.16 57.29 1xwd n GLU 239 Cb 1.06 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 32.43 1xwd n GLU 239 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1xwd n ASN 240 N -1.08 0.23 -4.70 -1.84 5.03 -1.26 -5.06 115.26 106.58 1xwd n ASN 240 Ca 0.18 -0.57 -0.42 0.00 0.87 0.00 0.00 54.58 54.63 1xwd n ASN 240 Cb 0.20 0.56 -0.03 0.00 -1.02 0.00 0.00 39.78 39.49 1xwd n ASN 240 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.26 175.32 1xwd n LEU 241 N -0.56 4.00 -0.00 3.41 7.94 -1.22 -4.56 117.00 126.02 1xwd n LEU 241 Ca 0.00 1.01 0.01 0.00 -1.11 0.00 0.00 56.01 55.92 1xwd n LEU 241 Cb 0.02 -1.55 -0.01 0.00 0.53 0.00 0.00 43.42 42.40 1xwd n LEU 241 CO 0.00 0.17 -0.26 0.29 -1.11 0.00 0.00 177.39 176.48 1xwd n LYS 242 N 5.06 3.28 -3.74 1.96 4.76 0.15 -5.02 118.16 124.61 1xwd n LYS 242 Ca 0.17 -0.01 -0.13 0.00 -2.87 0.00 0.00 58.31 55.48 1xwd n LYS 242 Cb 0.36 -0.81 -0.14 0.00 -1.84 0.00 0.00 35.03 32.61 1xwd n LYS 242 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1xwd s LYS 243 N -1.63 0.15 -0.05 1.97 1.02 -1.04 -5.03 119.74 115.14 1xwd s LYS 243 Ca 0.00 0.44 0.02 0.00 0.02 0.00 0.00 55.97 56.45 1xwd s LYS 243 Cb 0.01 -0.14 0.02 0.00 -0.52 0.00 0.00 37.83 37.20 1xwd s LYS 243 CO 0.07 -0.16 -0.08 -1.17 -0.92 0.00 0.00 175.35 173.09 1xwd s LEU 244 N 1.16 1.50 -0.12 3.17 2.96 -1.26 -0.46 118.68 125.64 1xwd s LEU 244 Ca -0.09 -0.20 0.03 0.00 -0.22 0.00 0.00 54.13 53.65 1xwd s LEU 244 Cb -0.10 -0.60 -0.00 0.00 0.50 0.00 0.00 46.19 45.98 1xwd s LEU 244 CO -0.07 -0.01 -0.21 -0.60 -1.32 0.00 0.00 176.35 174.15 1xwd s ARG 245 N 0.74 3.13 0.00 1.98 3.52 -0.94 -5.01 118.95 122.37 1xwd s ARG 245 Ca -0.12 -0.82 0.21 0.00 -0.13 0.00 0.00 55.73 54.86 1xwd s ARG 245 Cb -0.15 -2.42 0.34 0.00 -1.56 0.00 0.00 34.95 31.17 1xwd s ARG 245 CO 0.02 0.14 1.13 0.00 -0.81 0.00 0.00 175.30 175.78 1xwd n ALA 246 N 3.66 2.41 -1.68 6.12 0.00 -1.26 -1.51 120.51 128.25 1xwd n ALA 246 Ca -0.19 -2.05 -0.36 0.00 0.00 0.00 0.00 53.44 50.84 1xwd n ALA 246 Cb 0.53 -0.67 0.06 0.00 0.00 0.00 0.00 19.45 19.36 1xwd n ALA 246 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1xwd s ARG 247 N 0.00 2.59 -0.79 0.00 0.52 -1.26 -4.03 118.95 115.98 1xwd s ARG 247 Ca 0.27 1.97 -0.01 0.00 -0.52 0.00 0.00 55.73 57.43 1xwd s ARG 247 Cb 0.31 -1.86 0.00 0.00 0.52 0.00 0.00 34.95 33.92 1xwd s ARG 247 CO -0.14 -1.54 0.63 0.43 0.02 0.00 0.00 175.30 174.70 1xwd n SER 248 N -1.95 -5.59 -0.01 0.23 7.64 -1.26 -1.20 113.62 111.49 1xwd n SER 248 Ca 0.15 -0.72 0.10 0.00 1.01 0.00 0.00 58.87 59.41 1xwd n SER 248 Cb 0.49 -2.56 -0.14 0.00 -1.01 0.00 0.00 64.21 60.98 1xwd n SER 248 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1xwd n THR 249 N -2.33 0.00 -0.19 0.44 -1.04 -1.26 -2.82 114.28 107.08 1xwd n THR 249 Ca -0.24 -0.27 0.00 0.00 -2.04 0.00 0.00 64.05 61.50 1xwd n THR 249 Cb 0.65 0.46 0.00 0.00 -1.82 0.00 0.00 70.33 69.62 1xwd n THR 249 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21