#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mjw h LEU 2 N 0.00 0.00 -1.41 1.04 3.38 -1.94 -1.59 115.31 114.79 1mjw h LEU 2 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1mjw h LEU 2 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1mjw h LEU 2 CO 0.00 0.00 -0.18 -0.07 0.09 0.00 0.00 178.44 178.28 1mjw h LEU 3 N 0.00 0.00 -1.51 1.67 3.38 -1.93 -3.09 115.31 113.83 1mjw h LEU 3 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1mjw h LEU 3 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1mjw h LEU 3 CO 0.00 0.18 0.00 0.59 0.09 0.00 0.00 178.44 179.30 1mjw n ASN 4 N -3.45 2.26 -4.77 -0.43 5.03 -0.60 -4.92 115.26 108.38 1mjw n ASN 4 Ca -0.01 -1.82 -0.39 0.00 0.87 0.00 0.00 54.58 53.23 1mjw n ASN 4 Cb 0.36 -0.16 -0.02 0.00 -1.02 0.00 0.00 39.78 38.95 1mjw n ASN 4 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1mjw s VAL 5 N -1.69 2.89 0.77 2.41 1.01 -1.17 -5.00 120.40 119.62 1mjw s VAL 5 Ca 0.34 0.81 -0.12 0.00 0.00 0.00 0.00 61.98 63.00 1mjw s VAL 5 Cb 0.19 -3.48 0.06 0.00 0.00 0.00 0.00 36.38 33.15 1mjw s VAL 5 CO 0.27 0.13 1.12 -2.84 0.00 0.00 0.00 175.10 173.78 1mjw s PRO 6 N -2.10 2.15 0.31 2.72 0.02 -1.26 -4.75 135.00 132.09 1mjw s PRO 6 Ca 0.54 1.37 0.04 0.00 0.02 0.00 0.00 61.00 62.96 1mjw s PRO 6 Cb -0.35 -1.87 0.51 0.00 0.02 0.00 0.00 34.50 32.81 1mjw s PRO 6 CO 0.46 -1.75 1.80 0.00 -0.33 0.00 0.00 177.00 177.18 1mjw h ALA 7 N -0.88 1.25 0.00 -1.55 0.00 -1.90 -3.42 119.26 112.75 1mjw h ALA 7 Ca -0.45 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.19 1mjw h ALA 7 Cb 1.25 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1mjw h ALA 7 CO 0.50 0.49 0.00 0.41 0.00 0.00 0.00 179.25 180.65 1mjw n GLY 8 N -0.64 1.12 0.34 0.00 0.00 -1.26 -0.57 105.19 104.17 1mjw n GLY 8 Ca 0.01 -0.55 -0.05 0.00 0.00 0.00 0.00 46.02 45.43 1mjw n GLY 8 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1mjw h LYS 9 N 0.00 1.19 -1.44 1.61 1.57 -1.83 -3.40 116.57 114.26 1mjw h LYS 9 Ca 0.00 -0.15 -0.28 0.00 -1.87 0.00 0.00 60.65 58.34 1mjw h LYS 9 Cb 0.00 -0.23 -0.23 0.00 0.08 0.00 0.00 32.23 31.85 1mjw h LYS 9 CO 0.00 0.89 -0.64 0.34 -0.57 0.00 0.00 179.45 179.47 1mjw s ASP 10 N -6.21 -0.49 0.31 0.86 2.15 -0.81 -5.04 116.67 107.44 1mjw s ASP 10 Ca -0.13 -2.06 -0.29 0.00 0.43 0.00 0.00 52.55 50.50 1mjw s ASP 10 Cb 0.16 1.16 -0.11 0.00 -0.30 0.00 0.00 42.92 43.84 1mjw s ASP 10 CO 0.82 -0.10 1.45 -0.76 -0.17 0.00 0.00 175.17 176.41 1mjw s LEU 11 N 0.72 4.37 0.00 -1.34 1.43 -1.22 -1.00 118.68 121.64 1mjw s LEU 11 Ca 0.29 2.83 0.18 0.00 -1.03 0.00 0.00 54.13 56.40 1mjw s LEU 11 Cb -0.00 -3.64 0.18 0.00 0.03 0.00 0.00 46.19 42.76 1mjw s LEU 11 CO -0.09 -0.75 1.10 -0.81 0.23 0.00 0.00 176.35 176.02 1mjw n PRO 12 N 1.48 1.60 0.15 1.29 -0.04 -1.26 -4.88 135.00 133.35 1mjw n PRO 12 Ca 0.04 -1.65 0.01 0.00 -0.04 0.00 0.00 63.50 61.86 1mjw n PRO 12 Cb 0.40 -1.35 0.19 0.00 -0.04 0.00 0.00 33.50 32.70 1mjw n PRO 12 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1mjw h GLU 13 N 3.43 0.00 -3.47 0.54 4.39 -1.85 -3.42 114.58 114.20 1mjw h GLU 13 Ca 0.00 0.00 -0.54 0.00 0.34 0.00 0.00 59.36 59.16 1mjw h GLU 13 Cb 0.75 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 29.00 1mjw h GLU 13 CO 0.00 0.56 -0.76 0.34 -1.16 0.00 0.00 179.01 177.99 1mjw s ASP 14 N -6.69 3.33 0.29 1.42 -1.08 -0.17 -4.43 116.67 109.34 1mjw s ASP 14 Ca -0.00 -1.12 0.08 0.00 -0.52 0.00 0.00 52.55 50.99 1mjw s ASP 14 Cb 0.12 -0.65 -0.06 0.00 -1.46 0.00 0.00 42.92 40.86 1mjw s ASP 14 CO 0.74 -0.35 -0.10 0.27 0.52 0.00 0.00 175.17 176.25 1mjw s ILE 15 N 1.81 1.98 -0.04 4.11 -4.36 -0.79 -1.92 121.20 121.97 1mjw s ILE 15 Ca 0.03 -2.20 -0.01 0.00 -0.26 0.00 0.00 60.65 58.21 1mjw s ILE 15 Cb -0.17 -2.45 -0.04 0.00 1.25 0.00 0.00 42.46 41.06 1mjw s ILE 15 CO -0.16 -0.32 0.05 -0.31 0.24 0.00 0.00 174.94 174.44 1mjw s TYR 16 N -2.80 3.26 -0.09 1.37 2.02 0.26 -1.36 117.35 120.01 1mjw s TYR 16 Ca 0.30 0.23 0.04 0.00 -0.37 0.00 0.00 57.07 57.26 1mjw s TYR 16 Cb 0.01 -1.77 -0.01 0.00 -0.40 0.00 0.00 41.96 39.80 1mjw s TYR 16 CO 0.13 0.54 -0.21 0.08 -1.57 0.00 0.00 175.55 174.52 1mjw s VAL 17 N -1.07 2.35 -0.27 0.71 1.01 -0.01 -4.49 120.40 118.63 1mjw s VAL 17 Ca 0.19 -0.94 -0.24 0.00 0.00 0.00 0.00 61.98 60.99 1mjw s VAL 17 Cb -0.12 -1.91 -0.00 0.00 0.00 0.00 0.00 36.38 34.35 1mjw s VAL 17 CO 0.09 0.56 0.81 -0.69 0.00 0.00 0.00 175.10 175.86 1mjw s VAL 18 N 0.11 4.81 -0.13 2.92 1.01 0.11 -1.00 120.40 128.24 1mjw s VAL 18 Ca -0.10 1.39 -0.22 0.00 0.00 0.00 0.00 61.98 63.05 1mjw s VAL 18 Cb -0.16 -4.13 -0.03 0.00 0.00 0.00 0.00 36.38 32.06 1mjw s VAL 18 CO 0.06 -0.16 0.64 -0.63 0.00 0.00 0.00 175.10 175.02 1mjw s ILE 19 N 2.91 5.05 -0.21 2.22 -1.09 -0.27 -1.39 121.20 128.41 1mjw s ILE 19 Ca 0.34 1.28 0.01 0.00 -2.23 0.00 0.00 60.65 60.04 1mjw s ILE 19 Cb -0.15 -3.97 -0.13 0.00 -1.58 0.00 0.00 42.46 36.63 1mjw s ILE 19 CO 0.10 0.20 -0.19 -0.62 -1.23 0.00 0.00 174.94 173.20 1mjw n GLU 20 N 4.28 0.52 -3.89 2.79 1.02 0.38 0.46 120.64 126.20 1mjw n GLU 20 Ca -0.02 0.12 -0.27 0.00 -0.02 0.00 0.00 57.16 56.98 1mjw n GLU 20 Cb 0.51 -1.41 -0.17 0.00 -0.02 0.00 0.00 31.44 30.35 1mjw n GLU 20 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1mjw s ILE 21 N -2.41 0.97 0.71 -3.67 1.01 -0.31 -4.52 121.20 112.97 1mjw s ILE 21 Ca -0.28 -0.30 -0.15 0.00 0.00 0.00 0.00 60.65 59.93 1mjw s ILE 21 Cb 0.07 -1.03 0.03 0.00 0.01 0.00 0.00 42.46 41.54 1mjw s ILE 21 CO 0.47 0.32 1.15 -2.84 0.00 0.00 0.00 174.94 174.05 1mjw s PRO 22 N 1.73 2.39 0.48 2.79 0.02 -1.26 -0.13 135.00 141.02 1mjw s PRO 22 Ca 0.04 1.55 -0.23 0.00 0.02 0.00 0.00 61.00 62.39 1mjw s PRO 22 Cb -0.13 -1.88 -0.07 0.00 0.02 0.00 0.00 34.50 32.44 1mjw s PRO 22 CO -0.08 -1.60 1.27 0.00 -0.33 0.00 0.00 177.00 176.26 1mjw s ALA 23 N -2.22 2.96 -1.54 -1.55 0.00 -1.25 -3.67 121.76 114.50 1mjw s ALA 23 Ca 0.70 1.15 -0.03 0.00 0.00 0.00 0.00 51.96 53.78 1mjw s ALA 23 Cb -0.24 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.41 1mjw s ALA 23 CO 0.45 -0.97 0.37 -1.71 0.00 0.00 0.00 175.76 173.90 1mjw n ASN 24 N -0.59 -5.78 -5.03 0.00 5.15 -0.77 -4.76 115.26 103.47 1mjw n ASN 24 Ca 0.08 -0.18 -0.19 0.00 -0.60 0.00 0.00 54.58 53.68 1mjw n ASN 24 Cb 0.46 -4.67 0.05 0.00 -0.53 0.00 0.00 39.78 35.09 1mjw n ASN 24 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1mjw s ALA 25 N -3.08 4.69 0.84 5.20 0.00 -1.24 -5.04 121.76 123.13 1mjw s ALA 25 Ca 0.19 -2.07 -0.13 0.00 0.00 0.00 0.00 51.96 49.94 1mjw s ALA 25 Cb -0.08 -1.47 0.07 0.00 0.00 0.00 0.00 23.12 21.64 1mjw s ALA 25 CO 0.23 -0.77 0.93 -0.25 0.00 0.00 0.00 175.76 175.89 1mjw n ASP 26 N -2.18 -0.07 -2.77 0.00 8.00 -1.26 -4.79 116.55 113.48 1mjw n ASP 26 Ca 0.14 0.51 -0.24 0.00 0.71 0.00 0.00 54.79 55.91 1mjw n ASP 26 Cb 0.61 -1.40 -0.07 0.00 -0.02 0.00 0.00 41.12 40.24 1mjw n ASP 26 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1mjw n PRO 27 N -2.73 2.55 -3.96 -0.24 -0.05 -1.26 -4.81 135.00 124.50 1mjw n PRO 27 Ca 0.11 -1.49 -0.35 0.00 -0.05 0.00 0.00 63.50 61.73 1mjw n PRO 27 Cb 0.51 -2.37 -0.14 0.00 -0.05 0.00 0.00 33.50 31.46 1mjw n PRO 27 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 175.50 175.87 1mjw s ILE 28 N 2.06 3.37 -0.65 0.52 1.01 -1.26 -0.49 121.20 125.76 1mjw s ILE 28 Ca 0.58 -0.50 -0.23 0.00 0.00 0.00 0.00 60.65 60.51 1mjw s ILE 28 Cb 0.20 -2.53 0.07 0.00 0.01 0.00 0.00 42.46 40.21 1mjw s ILE 28 CO -0.03 0.43 0.96 -0.75 0.00 0.00 0.00 174.94 175.55 1mjw s LYS 29 N 1.39 3.12 0.32 2.79 2.36 -0.27 -4.97 119.74 124.48 1mjw s LYS 29 Ca 0.05 -0.80 -0.12 0.00 -2.55 0.00 0.00 55.97 52.54 1mjw s LYS 29 Cb -0.14 -4.22 -0.08 0.00 -1.05 0.00 0.00 37.83 32.34 1mjw s LYS 29 CO -0.03 -1.80 0.69 0.71 1.55 0.00 0.00 175.35 176.47 1mjw s TYR 30 N 4.07 3.41 0.01 4.03 2.02 -1.26 -0.19 117.35 129.45 1mjw s TYR 30 Ca 0.22 1.07 -0.04 0.00 -0.37 0.00 0.00 57.07 57.96 1mjw s TYR 30 Cb -0.17 -2.43 -0.01 0.00 -0.40 0.00 0.00 41.96 38.95 1mjw s TYR 30 CO 0.11 0.09 0.05 -1.83 -1.57 0.00 0.00 175.55 172.39 1mjw s GLU 31 N -3.19 0.40 -0.11 -0.62 -1.05 -0.17 -4.68 118.70 109.29 1mjw s GLU 31 Ca 0.51 -0.53 -0.30 0.00 -0.15 0.00 0.00 54.97 54.51 1mjw s GLU 31 Cb -0.10 0.16 -0.02 0.00 -0.44 0.00 0.00 34.13 33.72 1mjw s GLU 31 CO 0.22 -0.08 1.22 0.42 0.95 0.00 0.00 175.26 177.98 1mjw s ILE 32 N -1.50 4.30 -0.00 1.83 -1.09 -1.26 -0.68 121.20 122.79 1mjw s ILE 32 Ca -0.15 1.60 -0.30 0.00 -2.23 0.00 0.00 60.65 59.57 1mjw s ILE 32 Cb -0.08 -4.03 -0.06 0.00 -1.58 0.00 0.00 42.46 36.71 1mjw s ILE 32 CO -0.00 -0.07 1.45 -0.62 -1.23 0.00 0.00 174.94 174.47 1mjw s ASP 33 N 1.68 6.81 0.24 3.58 2.15 -0.46 -4.92 116.67 125.75 1mjw s ASP 33 Ca 0.55 2.15 0.26 0.00 0.43 0.00 0.00 52.55 55.93 1mjw s ASP 33 Cb -0.23 -2.56 0.84 0.00 -0.30 0.00 0.00 42.92 40.68 1mjw s ASP 33 CO 0.18 -0.76 1.76 0.11 -0.17 0.00 0.00 175.17 176.29 1mjw h LYS 34 N 8.04 0.00 0.01 4.34 1.79 -1.95 0.63 116.57 129.43 1mjw h LYS 34 Ca -0.38 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.07 1mjw h LYS 34 Cb 1.18 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.83 1mjw h LYS 34 CO 0.91 0.00 -0.09 0.93 -1.08 0.00 0.00 179.45 180.12 1mjw h GLU 35 N 0.00 0.04 0.00 3.15 5.08 -1.98 -3.39 114.58 117.49 1mjw h GLU 35 Ca 0.00 -0.06 -0.17 0.00 -1.00 0.00 0.00 59.36 58.13 1mjw h GLU 35 Cb 0.66 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.90 1mjw h GLU 35 CO 0.00 0.93 -1.46 -1.13 -1.00 0.00 0.00 179.01 176.35 1mjw n SER 36 N -4.60 0.80 0.00 1.42 3.41 -1.19 -4.97 113.62 108.49 1mjw n SER 36 Ca -0.10 0.35 0.00 0.00 -0.26 0.00 0.00 58.87 58.86 1mjw n SER 36 Cb 0.47 0.26 0.00 0.00 -0.26 0.00 0.00 64.21 64.68 1mjw n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1mjw n GLY 37 N 1.40 0.63 3.92 5.00 0.00 0.22 -4.96 105.19 111.40 1mjw n GLY 37 Ca -0.10 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.65 1mjw n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mjw s ALA 38 N -2.60 3.72 -0.27 4.61 0.00 -1.25 -4.66 121.76 121.30 1mjw s ALA 38 Ca 0.00 -0.76 -0.29 0.00 0.00 0.00 0.00 51.96 50.91 1mjw s ALA 38 Cb 0.00 -2.13 -0.01 0.00 0.00 0.00 0.00 23.12 20.99 1mjw s ALA 38 CO 0.00 0.24 1.39 -1.17 0.00 0.00 0.00 175.76 176.22 1mjw s LEU 39 N -3.68 3.89 0.00 0.00 2.96 -1.26 -1.35 118.68 119.25 1mjw s LEU 39 Ca 0.41 1.33 -0.02 0.00 -0.22 0.00 0.00 54.13 55.63 1mjw s LEU 39 Cb -0.10 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.01 1mjw s LEU 39 CO 0.31 -1.12 0.16 -0.36 -1.32 0.00 0.00 176.35 174.03 1mjw s PHE 40 N 4.57 3.49 -0.34 5.38 0.40 0.15 -4.95 117.98 126.68 1mjw s PHE 40 Ca 0.60 0.31 -0.28 0.00 -0.60 0.00 0.00 56.93 56.96 1mjw s PHE 40 Cb -0.19 -1.80 0.02 0.00 0.51 0.00 0.00 43.02 41.56 1mjw s PHE 40 CO 0.25 0.62 1.04 0.08 0.70 0.00 0.00 175.22 177.90 1mjw s VAL 41 N -1.33 4.52 -0.07 -0.44 1.01 -1.26 -1.00 120.40 121.82 1mjw s VAL 41 Ca 0.28 1.58 -0.20 0.00 0.00 0.00 0.00 61.98 63.63 1mjw s VAL 41 Cb -0.13 -4.40 -0.30 0.00 0.00 0.00 0.00 36.38 31.56 1mjw s VAL 41 CO 0.19 -0.51 0.76 -1.13 0.00 0.00 0.00 175.10 174.41 1mjw h ASN 42 N 8.24 0.42 -5.15 3.32 -0.73 -0.89 -3.48 115.58 117.32 1mjw h ASN 42 Ca -0.21 -0.91 0.17 0.00 1.87 0.00 0.00 56.30 57.21 1mjw h ASN 42 Cb 1.07 -0.14 -0.10 0.00 0.27 0.00 0.00 38.32 39.42 1mjw h ASN 42 CO 1.02 1.47 0.51 0.00 -0.37 0.00 0.00 177.43 180.05 1mjw s ARG 43 N -2.44 1.04 -0.22 6.67 1.70 -1.13 -5.03 118.95 119.54 1mjw s ARG 43 Ca -0.16 -0.53 -0.14 0.00 -0.47 0.00 0.00 55.73 54.42 1mjw s ARG 43 Cb 0.02 0.38 -0.04 0.00 -0.57 0.00 0.00 34.95 34.74 1mjw s ARG 43 CO 0.80 -0.47 0.33 -0.06 -1.08 0.00 0.00 175.30 174.82 1mjw s PHE 44 N -3.19 3.33 0.48 5.89 0.08 -1.26 -1.12 117.98 122.20 1mjw s PHE 44 Ca 0.10 0.47 -0.24 0.00 0.12 0.00 0.00 56.93 57.39 1mjw s PHE 44 Cb -0.01 -2.47 -0.07 0.00 -0.57 0.00 0.00 43.02 39.91 1mjw s PHE 44 CO -0.01 -0.03 1.33 -1.64 -0.10 0.00 0.00 175.22 174.77 1mjw s MET 45 N 1.38 3.54 -0.00 0.44 -1.94 0.35 -4.94 119.30 118.13 1mjw s MET 45 Ca 0.15 2.19 0.20 0.00 -1.71 0.00 0.00 55.69 56.52 1mjw s MET 45 Cb -0.15 -2.48 -0.23 0.00 2.01 0.00 0.00 34.83 33.98 1mjw s MET 45 CO 0.07 -0.86 0.81 -1.13 -0.01 0.00 0.00 175.02 173.91 1mjw n SER 46 N -0.51 0.86 -4.93 3.03 3.41 -1.26 -4.92 113.62 109.31 1mjw n SER 46 Ca 0.07 -0.85 -0.25 0.00 -0.26 0.00 0.00 58.87 57.58 1mjw n SER 46 Cb 0.44 1.12 -0.01 0.00 -0.26 0.00 0.00 64.21 65.50 1mjw n SER 46 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1mjw s THR 47 N -2.98 5.07 -1.30 6.66 -4.23 -1.26 -4.98 115.64 112.62 1mjw s THR 47 Ca 0.06 -0.28 -0.08 0.00 -1.18 0.00 0.00 61.69 60.21 1mjw s THR 47 Cb 0.15 -3.83 0.15 0.00 1.34 0.00 0.00 72.50 70.31 1mjw s THR 47 CO 0.84 -0.53 2.06 0.00 -0.54 0.00 0.00 174.62 176.44 1mjw n ALA 48 N -1.63 5.88 -2.35 3.99 0.00 -1.26 -4.91 120.51 120.24 1mjw n ALA 48 Ca -0.04 -4.24 -0.18 0.00 0.00 0.00 0.00 53.44 48.99 1mjw n ALA 48 Cb 0.55 -2.90 -0.10 0.00 0.00 0.00 0.00 19.45 17.00 1mjw n ALA 48 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1mjw s MET 49 N -0.17 1.34 0.06 0.00 -1.94 -1.26 -5.17 119.30 112.16 1mjw s MET 49 Ca 0.45 -1.64 0.02 0.00 -1.71 0.00 0.00 55.69 52.80 1mjw s MET 49 Cb 0.13 -0.91 -0.03 0.00 2.01 0.00 0.00 34.83 36.03 1mjw s MET 49 CO -0.03 0.05 -0.07 -0.59 -0.01 0.00 0.00 175.02 174.38 1mjw s PHE 50 N -3.16 0.70 0.17 -0.03 -0.12 -1.26 -4.66 117.98 109.62 1mjw s PHE 50 Ca 0.25 -0.66 -0.32 0.00 -0.05 0.00 0.00 56.93 56.15 1mjw s PHE 50 Cb 0.03 -0.42 -0.10 0.00 -0.63 0.00 0.00 43.02 41.89 1mjw s PHE 50 CO 0.07 -0.13 1.57 0.71 -0.05 0.00 0.00 175.22 177.40 1mjw s TYR 51 N -2.20 3.06 -0.70 3.49 1.51 -1.26 -4.86 117.35 116.38 1mjw s TYR 51 Ca -0.03 0.63 0.25 0.00 -1.01 0.00 0.00 57.07 56.90 1mjw s TYR 51 Cb -0.04 -3.93 0.91 0.00 -0.11 0.00 0.00 41.96 38.78 1mjw s TYR 51 CO -0.02 -3.43 1.75 -2.30 -1.11 0.00 0.00 175.55 170.44 1mjw n PRO 52 N 3.92 0.18 -4.21 -1.71 -0.02 -1.26 -1.85 135.00 130.06 1mjw n PRO 52 Ca 0.14 0.26 -0.13 0.00 -2.02 0.00 0.00 63.50 61.75 1mjw n PRO 52 Cb 0.38 -1.76 -0.10 0.00 -0.02 0.00 0.00 33.50 32.00 1mjw n PRO 52 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1mjw s ASN 54 N -3.19 5.28 -0.02 0.00 0.01 -0.54 -3.84 114.94 112.65 1mjw s ASN 54 Ca 0.39 2.13 0.02 0.00 -0.71 0.00 0.00 52.86 54.68 1mjw s ASN 54 Cb 0.06 -2.57 0.00 0.00 0.41 0.00 0.00 41.25 39.16 1mjw s ASN 54 CO 0.14 -1.52 -0.06 -0.47 -1.51 0.00 0.00 177.10 173.68 1mjw s TYR 55 N -2.03 0.67 0.00 2.20 5.04 0.82 -0.93 117.35 123.12 1mjw s TYR 55 Ca 0.71 -0.15 0.00 0.00 -2.44 0.00 0.00 57.07 55.19 1mjw s TYR 55 Cb -0.23 -0.50 0.00 0.00 0.35 0.00 0.00 41.96 41.58 1mjw s TYR 55 CO 0.35 -0.07 0.00 0.41 -1.34 0.00 0.00 175.55 174.90 1mjw n GLY 56 N 3.31 1.90 3.33 8.97 0.00 -0.37 -0.47 105.19 121.86 1mjw n GLY 56 Ca -0.18 0.02 -0.09 0.00 0.00 0.00 0.00 46.02 45.76 1mjw n GLY 56 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1mjw s TYR 57 N 0.69 0.20 -0.22 1.61 -0.85 -0.49 -0.01 117.35 118.29 1mjw s TYR 57 Ca 0.00 -0.58 -0.09 0.00 -0.52 0.00 0.00 57.07 55.88 1mjw s TYR 57 Cb 0.00 0.04 -0.04 0.00 0.38 0.00 0.00 41.96 42.33 1mjw s TYR 57 CO 0.00 -0.70 0.12 0.42 -1.52 0.00 0.00 175.55 173.87 1mjw s ILE 58 N -3.91 5.07 0.66 -3.49 1.01 -0.78 -0.71 121.20 119.04 1mjw s ILE 58 Ca 0.12 0.07 -0.12 0.00 0.00 0.00 0.00 60.65 60.72 1mjw s ILE 58 Cb 0.03 -3.34 -0.01 0.00 0.01 0.00 0.00 42.46 39.15 1mjw s ILE 58 CO -0.04 0.38 1.05 0.21 0.00 0.00 0.00 174.94 176.54 1mjw s ASN 59 N 0.90 5.66 -1.53 3.58 2.47 -1.26 -3.69 114.94 121.07 1mjw s ASN 59 Ca 0.06 1.60 -0.04 0.00 0.42 0.00 0.00 52.86 54.90 1mjw s ASN 59 Cb -0.13 -2.50 0.00 0.00 -1.45 0.00 0.00 41.25 37.18 1mjw s ASN 59 CO 0.03 -1.26 0.54 1.41 -3.72 0.00 0.00 177.10 174.10 1mjw n HIS 60 N -2.85 -1.83 -4.21 0.43 8.25 -1.26 -3.93 115.22 109.82 1mjw n HIS 60 Ca 0.07 0.46 -0.19 0.00 -0.26 0.00 0.00 57.72 57.80 1mjw n HIS 60 Cb 0.54 -4.37 -0.12 0.00 1.12 0.00 0.00 29.99 27.16 1mjw n HIS 60 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1mjw s THR 61 N -3.15 1.19 -0.10 1.59 -4.23 -1.24 -4.57 115.64 105.13 1mjw s THR 61 Ca 0.27 -1.29 -0.02 0.00 -1.18 0.00 0.00 61.69 59.47 1mjw s THR 61 Cb -0.12 -1.12 0.04 0.00 1.34 0.00 0.00 72.50 72.64 1mjw s THR 61 CO 0.33 -0.17 0.03 -0.22 -0.54 0.00 0.00 174.62 174.05 1mjw s LEU 62 N -1.67 0.60 0.73 4.79 2.96 0.43 -3.86 118.68 122.66 1mjw s LEU 62 Ca -0.00 -0.25 -0.02 0.00 -0.22 0.00 0.00 54.13 53.64 1mjw s LEU 62 Cb -0.10 -0.40 0.13 0.00 0.50 0.00 0.00 46.19 46.32 1mjw s LEU 62 CO 0.02 -0.24 1.01 -0.94 -1.32 0.00 0.00 176.35 174.88 1mjw s SER 63 N 2.00 4.30 0.17 3.68 1.04 0.29 -4.44 113.70 120.73 1mjw s SER 63 Ca 0.04 -0.31 0.02 0.00 0.48 0.00 0.00 55.95 56.17 1mjw s SER 63 Cb -0.13 -0.07 0.01 0.00 0.10 0.00 0.00 66.02 65.93 1mjw s SER 63 CO -0.06 -1.89 1.39 -0.07 0.98 0.00 0.00 173.24 173.59 1mjw h LEU 64 N -0.58 0.30 0.00 2.42 3.38 -1.99 -1.61 115.31 117.24 1mjw h LEU 64 Ca -0.37 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.36 1mjw h LEU 64 Cb 1.27 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1mjw h LEU 64 CO 0.41 1.02 0.00 -0.90 0.09 0.00 0.00 178.44 179.06 1mjw n ASP 65 N -3.70 0.00 0.00 -0.43 5.68 -1.26 -4.86 116.55 111.98 1mjw n ASP 65 Ca -0.04 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.25 1mjw n ASP 65 Cb 0.79 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.77 1mjw n ASP 65 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1mjw n GLY 66 N -0.82 1.05 3.47 6.12 0.00 -0.60 -5.03 105.19 109.38 1mjw n GLY 66 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 1mjw n GLY 66 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1mjw s ASP 67 N -2.99 3.52 0.79 1.61 1.01 -1.26 -4.83 116.67 114.53 1mjw s ASP 67 Ca 0.00 -1.04 -0.12 0.00 0.71 0.00 0.00 52.55 52.10 1mjw s ASP 67 Cb 0.00 -0.29 0.07 0.00 1.01 0.00 0.00 42.92 43.71 1mjw s ASP 67 CO 0.00 0.00 1.14 -2.16 0.21 0.00 0.00 175.17 174.36 1mjw s PRO 68 N -3.53 1.90 0.16 8.23 0.04 -1.25 -0.55 135.00 140.00 1mjw s PRO 68 Ca 0.30 1.45 -0.32 0.00 0.04 0.00 0.00 61.00 62.47 1mjw s PRO 68 Cb -0.04 -1.84 -0.10 0.00 0.04 0.00 0.00 34.50 32.56 1mjw s PRO 68 CO 0.15 -1.95 1.60 0.08 0.04 0.00 0.00 177.00 176.91 1mjw s VAL 69 N -2.54 2.59 0.05 -0.36 1.01 -1.26 -4.72 120.40 115.17 1mjw s VAL 69 Ca 0.67 0.40 -0.03 0.00 0.00 0.00 0.00 61.98 63.01 1mjw s VAL 69 Cb -0.22 -3.25 -0.05 0.00 0.00 0.00 0.00 36.38 32.86 1mjw s VAL 69 CO 0.52 0.03 0.26 1.51 0.00 0.00 0.00 175.10 177.42 1mjw s ASP 70 N 1.28 6.42 -0.02 3.32 1.47 -1.26 -1.87 116.67 126.02 1mjw s ASP 70 Ca 0.71 0.42 0.02 0.00 1.18 0.00 0.00 52.55 54.89 1mjw s ASP 70 Cb -0.44 -2.03 0.00 0.00 -0.34 0.00 0.00 42.92 40.11 1mjw s ASP 70 CO 0.31 0.18 -0.07 -0.69 0.68 0.00 0.00 175.17 175.59 1mjw s VAL 71 N -1.46 0.59 -0.21 2.11 1.01 0.99 -1.35 120.40 122.07 1mjw s VAL 71 Ca 0.33 -0.27 -0.10 0.00 0.00 0.00 0.00 61.98 61.95 1mjw s VAL 71 Cb -0.13 -0.53 -0.05 0.00 0.00 0.00 0.00 36.38 35.68 1mjw s VAL 71 CO 0.23 0.19 0.12 -0.76 0.00 0.00 0.00 175.10 174.88 1mjw s LEU 72 N 0.14 4.08 -0.22 3.92 1.43 0.51 -1.23 118.68 127.31 1mjw s LEU 72 Ca -0.02 0.16 -0.01 0.00 -1.03 0.00 0.00 54.13 53.23 1mjw s LEU 72 Cb -0.06 -2.06 0.06 0.00 0.03 0.00 0.00 46.19 44.16 1mjw s LEU 72 CO -0.00 0.14 0.00 -0.69 0.23 0.00 0.00 176.35 176.03 1mjw s VAL 73 N 0.58 1.03 0.26 -1.59 1.01 -0.10 -1.42 120.40 120.17 1mjw s VAL 73 Ca 0.07 -0.96 -0.30 0.00 0.00 0.00 0.00 61.98 60.80 1mjw s VAL 73 Cb -0.12 -1.46 -0.09 0.00 0.00 0.00 0.00 36.38 34.71 1mjw s VAL 73 CO 0.00 -0.21 1.12 -2.16 0.00 0.00 0.00 175.10 173.85 1mjw s PRO 74 N 1.61 4.61 0.11 2.72 0.04 -1.26 -1.46 135.00 141.38 1mjw s PRO 74 Ca -0.02 1.82 -0.01 0.00 0.04 0.00 0.00 61.00 62.83 1mjw s PRO 74 Cb -0.18 -3.20 -0.04 0.00 0.04 0.00 0.00 34.50 31.12 1mjw s PRO 74 CO -0.09 0.15 0.02 0.95 0.04 0.00 0.00 177.00 178.08 1mjw s THR 75 N -0.96 0.22 0.30 1.26 -4.23 -1.26 -4.36 115.64 106.60 1mjw s THR 75 Ca 0.46 -1.90 0.04 0.00 -1.18 0.00 0.00 61.69 59.12 1mjw s THR 75 Cb -0.32 -1.91 0.08 0.00 1.34 0.00 0.00 72.50 71.69 1mjw s THR 75 CO 0.40 -0.61 1.75 -0.65 -0.54 0.00 0.00 174.62 174.97 1mjw h PRO 76 N 2.92 0.41 -4.58 3.99 0.11 -2.03 -3.43 132.00 129.39 1mjw h PRO 76 Ca -0.35 -0.15 -0.28 0.00 0.11 0.00 0.00 66.00 65.33 1mjw h PRO 76 Cb 1.18 -0.03 -0.21 0.00 0.11 0.00 0.00 31.00 32.05 1mjw h PRO 76 CO 0.61 0.63 -0.74 0.71 -0.21 0.00 0.00 178.00 179.01 1mjw s TYR 77 N -4.49 0.68 0.54 0.65 2.02 -1.26 -5.13 117.35 110.35 1mjw s TYR 77 Ca -0.06 -0.49 -0.21 0.00 -0.37 0.00 0.00 57.07 55.93 1mjw s TYR 77 Cb 0.14 -0.41 -0.05 0.00 -0.40 0.00 0.00 41.96 41.24 1mjw s TYR 77 CO 0.78 -0.08 1.28 -2.14 -1.57 0.00 0.00 175.55 173.82 1mjw s PRO 78 N -1.55 3.22 0.46 -1.71 0.02 -1.26 -5.00 135.00 129.17 1mjw s PRO 78 Ca -0.10 2.05 0.04 0.00 0.02 0.00 0.00 61.00 63.01 1mjw s PRO 78 Cb -0.10 -2.21 0.01 0.00 0.02 0.00 0.00 34.50 32.22 1mjw s PRO 78 CO 0.00 -1.07 0.64 -0.51 -0.33 0.00 0.00 177.00 175.74 1mjw s LEU 79 N -3.55 3.58 0.23 -5.54 1.43 -1.26 -4.99 118.68 108.57 1mjw s LEU 79 Ca 0.71 -0.09 -0.21 0.00 -1.03 0.00 0.00 54.13 53.51 1mjw s LEU 79 Cb -0.36 -2.85 -0.08 0.00 0.03 0.00 0.00 46.19 42.93 1mjw s LEU 79 CO 0.42 -0.83 0.76 -1.58 0.23 0.00 0.00 176.35 175.35 1mjw s GLN 80 N -4.51 4.33 0.33 1.70 2.00 -1.26 -4.47 119.66 117.78 1mjw s GLN 80 Ca 0.53 0.96 -0.29 0.00 -2.00 0.00 0.00 55.36 54.56 1mjw s GLN 80 Cb -0.10 -2.92 -0.11 0.00 0.80 0.00 0.00 33.01 30.68 1mjw s GLN 80 CO 0.36 0.40 1.55 -2.30 -0.50 0.00 0.00 175.29 174.80 1mjw n PRO 81 N 0.82 2.70 -0.45 1.67 -0.02 -1.26 -1.70 135.00 136.75 1mjw n PRO 81 Ca -0.02 0.95 0.00 0.00 -2.02 0.00 0.00 63.50 62.41 1mjw n PRO 81 Cb 0.51 -2.72 0.00 0.00 -0.02 0.00 0.00 33.50 31.27 1mjw n PRO 81 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1mjw n GLY 82 N 1.37 0.92 3.95 -1.23 0.00 0.17 -5.01 105.19 105.37 1mjw n GLY 82 Ca 0.05 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 1mjw n GLY 82 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1mjw s SER 83 N -3.01 6.20 -0.17 1.61 1.04 -0.69 -4.79 113.70 113.88 1mjw s SER 83 Ca 0.00 0.30 -0.00 0.00 0.48 0.00 0.00 55.95 56.73 1mjw s SER 83 Cb 0.00 -1.85 0.00 0.00 0.10 0.00 0.00 66.02 64.27 1mjw s SER 83 CO 0.00 -0.33 -0.15 -0.69 0.98 0.00 0.00 173.24 173.05 1mjw s VAL 84 N -2.28 2.65 0.06 5.02 1.01 -1.26 -1.12 120.40 124.48 1mjw s VAL 84 Ca 0.41 -0.76 0.09 0.00 0.00 0.00 0.00 61.98 61.71 1mjw s VAL 84 Cb -0.10 -2.13 -0.03 0.00 0.00 0.00 0.00 36.38 34.12 1mjw s VAL 84 CO 0.35 0.51 -0.24 0.27 0.00 0.00 0.00 175.10 175.98 1mjw s ILE 85 N 1.01 1.96 -0.07 2.22 -0.00 -0.17 -4.91 121.20 121.24 1mjw s ILE 85 Ca -0.01 -1.38 -0.23 0.00 -0.00 0.00 0.00 60.65 59.03 1mjw s ILE 85 Cb -0.15 -1.70 -0.04 0.00 -0.00 0.00 0.00 42.46 40.58 1mjw s ILE 85 CO -0.03 0.25 0.68 -0.60 -0.00 0.00 0.00 174.94 175.24 1mjw s ARG 86 N -1.35 4.43 0.15 0.37 3.52 -1.26 -0.83 118.95 123.97 1mjw s ARG 86 Ca 0.10 0.84 -0.05 0.00 -0.13 0.00 0.00 55.73 56.50 1mjw s ARG 86 Cb -0.10 -3.44 -0.03 0.00 -1.56 0.00 0.00 34.95 29.82 1mjw s ARG 86 CO 0.03 0.08 0.16 0.00 -0.81 0.00 0.00 175.30 174.75 1mjw s ARG 88 N -4.01 2.36 0.25 0.00 3.52 0.77 -1.89 118.95 119.94 1mjw s ARG 88 Ca 0.21 -0.69 -0.30 0.00 -0.13 0.00 0.00 55.73 54.82 1mjw s ARG 88 Cb 0.06 -1.88 -0.09 0.00 -1.56 0.00 0.00 34.95 31.47 1mjw s ARG 88 CO 0.01 0.17 1.28 -1.25 -0.81 0.00 0.00 175.30 174.70 1mjw s PRO 89 N 0.32 4.42 0.00 5.12 0.04 -1.26 -1.31 135.00 142.32 1mjw s PRO 89 Ca -0.13 2.07 0.00 0.00 0.04 0.00 0.00 61.00 62.98 1mjw s PRO 89 Cb -0.16 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.23 1mjw s PRO 89 CO 0.06 -0.16 0.00 1.33 0.04 0.00 0.00 177.00 178.27 1mjw n VAL 90 N 1.81 0.00 -3.68 -0.36 0.24 0.06 -4.89 118.33 111.51 1mjw n VAL 90 Ca 0.03 -0.23 -0.01 0.00 -2.04 0.00 0.00 64.34 62.09 1mjw n VAL 90 Cb 0.43 0.75 -0.01 0.00 -1.47 0.00 0.00 33.84 33.54 1mjw n VAL 90 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1mjw s GLY 91 N -1.08 -0.33 -0.00 7.63 0.00 -1.05 -2.64 107.32 109.86 1mjw s GLY 91 Ca 0.00 0.45 -0.00 0.00 0.00 0.00 0.00 44.72 45.16 1mjw s GLY 91 CO 0.00 0.08 0.01 0.54 0.00 0.00 0.00 173.10 173.72 1mjw s VAL 92 N -2.85 0.01 -0.32 1.40 0.11 -0.38 -0.40 120.40 117.97 1mjw s VAL 92 Ca 0.13 -0.11 -0.12 0.00 -2.93 0.00 0.00 61.98 58.95 1mjw s VAL 92 Cb 0.02 -0.06 -0.03 0.00 -1.53 0.00 0.00 36.38 34.79 1mjw s VAL 92 CO -0.01 -0.06 0.23 -0.22 -3.33 0.00 0.00 175.10 171.71 1mjw s LEU 93 N -0.17 4.39 -0.04 2.54 2.96 0.27 -0.33 118.68 128.31 1mjw s LEU 93 Ca -0.02 -0.33 -0.13 0.00 -0.22 0.00 0.00 54.13 53.44 1mjw s LEU 93 Cb -0.01 -2.13 -0.05 0.00 0.50 0.00 0.00 46.19 44.50 1mjw s LEU 93 CO -0.00 -0.19 0.34 -0.54 -1.32 0.00 0.00 176.35 174.63 1mjw s LYS 94 N 1.73 3.82 0.11 1.98 -0.14 -0.26 -1.31 119.74 125.66 1mjw s LYS 94 Ca 0.06 0.26 -0.03 0.00 -1.36 0.00 0.00 55.97 54.90 1mjw s LYS 94 Cb -0.17 -3.23 -0.03 0.00 -1.68 0.00 0.00 37.83 32.72 1mjw s LYS 94 CO 0.11 0.69 0.09 -1.64 -0.76 0.00 0.00 175.35 173.83 1mjw s MET 95 N -0.97 0.89 0.03 1.68 -1.94 -0.66 0.53 119.30 118.86 1mjw s MET 95 Ca 0.21 -1.29 0.06 0.00 -1.71 0.00 0.00 55.69 52.97 1mjw s MET 95 Cb -0.15 0.27 -0.02 0.00 2.01 0.00 0.00 34.83 36.94 1mjw s MET 95 CO 0.10 -0.26 -0.19 0.99 -0.01 0.00 0.00 175.02 175.66 1mjw s THR 96 N -3.98 1.50 0.00 2.05 2.01 -0.01 0.83 115.64 118.04 1mjw s THR 96 Ca 0.17 -1.05 0.00 0.00 0.31 0.00 0.00 61.69 61.12 1mjw s THR 96 Cb 0.07 -1.30 0.00 0.00 0.01 0.00 0.00 72.50 71.27 1mjw s THR 96 CO -0.03 0.22 0.00 -0.90 -0.69 0.00 0.00 174.62 173.23 1mjw n ASP 97 N 2.07 0.28 -0.03 3.53 5.68 0.90 -0.72 116.55 128.26 1mjw n ASP 97 Ca -0.17 -0.16 0.14 0.00 -0.50 0.00 0.00 54.79 54.11 1mjw n ASP 97 Cb 0.54 0.00 0.69 0.00 -1.14 0.00 0.00 41.12 41.21 1mjw n ASP 97 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 1mjw n GLU 98 N 0.00 0.42 -0.41 0.11 0.00 -1.22 -2.61 120.64 116.94 1mjw n GLU 98 Ca 0.00 -0.05 0.10 0.00 0.00 0.00 0.00 57.16 57.21 1mjw n GLU 98 Cb 0.00 -1.50 0.30 0.00 0.00 0.00 0.00 31.44 30.24 1mjw n GLU 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1mjw n ALA 99 N -1.25 2.56 0.00 -1.84 0.00 -1.26 -5.08 120.51 113.65 1mjw n ALA 99 Ca 0.13 -1.40 0.00 0.00 0.00 0.00 0.00 53.44 52.17 1mjw n ALA 99 Cb 0.27 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 18.87 1mjw n ALA 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mjw n GLY 100 N 1.19 -0.08 3.73 0.00 0.00 -1.07 -5.03 105.19 103.92 1mjw n GLY 100 Ca 0.22 -2.26 -0.42 0.00 0.00 0.00 0.00 46.02 43.56 1mjw n GLY 100 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1mjw s GLU 101 N 0.00 4.22 0.25 1.61 2.12 -1.26 -0.07 118.70 125.57 1mjw s GLU 101 Ca 0.00 2.36 0.12 0.00 0.36 0.00 0.00 54.97 57.81 1mjw s GLU 101 Cb 0.00 -3.13 -0.05 0.00 0.26 0.00 0.00 34.13 31.21 1mjw s GLU 101 CO 0.00 -0.56 -0.20 0.34 -0.54 0.00 0.00 175.26 174.30 1mjw s ASP 102 N 0.89 3.62 -0.01 -1.70 2.15 0.24 -4.89 116.67 116.98 1mjw s ASP 102 Ca 0.67 -0.94 -0.00 0.00 0.43 0.00 0.00 52.55 52.71 1mjw s ASP 102 Cb -0.44 -0.33 0.01 0.00 -0.30 0.00 0.00 42.92 41.86 1mjw s ASP 102 CO 0.35 0.07 0.02 0.00 -0.17 0.00 0.00 175.17 175.44 1mjw s ALA 103 N -2.19 -0.00 -0.13 3.66 0.00 -1.26 -1.65 121.76 120.17 1mjw s ALA 103 Ca 0.27 0.12 0.02 0.00 0.00 0.00 0.00 51.96 52.37 1mjw s ALA 103 Cb -0.06 -0.09 -0.00 0.00 0.00 0.00 0.00 23.12 22.97 1mjw s ALA 103 CO 0.14 -0.04 -0.18 0.15 0.00 0.00 0.00 175.76 175.82 1mjw s LYS 104 N 0.32 3.16 0.63 0.00 -0.14 -0.43 -4.67 119.74 118.61 1mjw s LYS 104 Ca -0.03 -0.79 -0.11 0.00 -1.36 0.00 0.00 55.97 53.68 1mjw s LYS 104 Cb -0.04 -2.51 -0.03 0.00 -1.68 0.00 0.00 37.83 33.57 1mjw s LYS 104 CO -0.01 0.08 1.03 -0.51 -0.76 0.00 0.00 175.35 175.18 1mjw s LEU 105 N 0.63 3.23 -0.07 3.17 1.43 -0.46 -0.56 118.68 126.06 1mjw s LEU 105 Ca -0.10 1.45 0.04 0.00 -1.03 0.00 0.00 54.13 54.50 1mjw s LEU 105 Cb -0.16 -4.48 -0.00 0.00 0.03 0.00 0.00 46.19 41.58 1mjw s LEU 105 CO 0.02 -0.95 -0.21 -0.69 0.23 0.00 0.00 176.35 174.76 1mjw s VAL 106 N -3.14 1.75 0.02 -1.59 1.01 0.46 -0.36 120.40 118.55 1mjw s VAL 106 Ca 0.56 -0.87 0.02 0.00 0.00 0.00 0.00 61.98 61.69 1mjw s VAL 106 Cb -0.11 -1.51 -0.02 0.00 0.00 0.00 0.00 36.38 34.74 1mjw s VAL 106 CO 0.53 0.49 -0.08 0.00 0.00 0.00 0.00 175.10 176.05 1mjw s ALA 107 N 0.15 0.60 0.23 5.51 0.00 -0.51 -0.76 121.76 126.98 1mjw s ALA 107 Ca -0.10 -0.57 0.09 0.00 0.00 0.00 0.00 51.96 51.39 1mjw s ALA 107 Cb -0.15 -0.05 -0.04 0.00 0.00 0.00 0.00 23.12 22.89 1mjw s ALA 107 CO 0.05 0.06 -0.06 0.14 0.00 0.00 0.00 175.76 175.95 1mjw s VAL 108 N -0.83 3.26 0.36 0.00 -7.23 -0.43 -4.04 120.40 111.50 1mjw s VAL 108 Ca -0.04 -1.85 -0.28 0.00 -1.81 0.00 0.00 61.98 58.00 1mjw s VAL 108 Cb -0.07 -2.69 -0.12 0.00 0.56 0.00 0.00 36.38 34.07 1mjw s VAL 108 CO 0.00 -0.27 1.33 -2.65 -0.31 0.00 0.00 175.10 173.20 1mjw n PRO 109 N -0.49 2.23 -1.71 4.82 -0.02 -1.26 -0.16 135.00 138.40 1mjw n PRO 109 Ca -0.08 0.78 -0.41 0.00 -2.02 0.00 0.00 63.50 61.78 1mjw n PRO 109 Cb 0.58 -2.40 0.01 0.00 -0.02 0.00 0.00 33.50 31.67 1mjw n PRO 109 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 1mjw n HIS 110 N 0.31 2.18 0.29 6.00 -0.00 -0.13 -4.66 115.22 119.21 1mjw n HIS 110 Ca 0.04 0.49 0.18 0.00 0.46 0.00 0.00 57.72 58.89 1mjw n HIS 110 Cb 0.37 -2.38 0.97 0.00 -0.12 0.00 0.00 29.99 28.83 1mjw n HIS 110 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 1mjw h SER 111 N 2.05 0.00 0.92 0.26 4.64 -1.91 0.38 113.55 119.89 1mjw h SER 111 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1mjw h SER 111 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1mjw h SER 111 CO 0.60 0.00 0.00 0.11 -0.87 0.00 0.00 176.83 176.67 1mjw h LYS 112 N 0.00 0.00 0.06 4.77 1.57 -1.96 -3.15 116.57 117.85 1mjw h LYS 112 Ca 0.03 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.49 1mjw h LYS 112 Cb 0.22 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.50 1mjw h LYS 112 CO -0.00 0.00 -1.79 -0.07 -0.57 0.00 0.00 179.45 177.02 1mjw h LEU 113 N 0.00 0.18 -7.00 2.94 4.07 -0.58 -3.48 115.31 111.44 1mjw h LEU 113 Ca 0.00 -0.39 -0.02 0.00 0.08 0.00 0.00 57.88 57.55 1mjw h LEU 113 Cb 0.46 -0.06 -0.21 0.00 1.08 0.00 0.00 40.66 41.93 1mjw h LEU 113 CO 0.00 1.35 0.21 -0.55 -1.08 0.00 0.00 178.44 178.37 1mjw s SER 114 N -6.52 -0.67 0.00 -0.43 0.15 -1.05 -5.03 113.70 100.16 1mjw s SER 114 Ca -0.11 1.15 0.28 0.00 0.70 0.00 0.00 55.95 57.98 1mjw s SER 114 Cb 0.07 1.12 1.17 0.00 -1.71 0.00 0.00 66.02 66.68 1mjw s SER 114 CO 0.81 -0.32 1.84 0.29 1.20 0.00 0.00 173.24 177.06 1mjw n LYS 115 N 2.14 0.43 0.17 5.44 4.76 -1.26 -4.06 118.16 125.79 1mjw n LYS 115 Ca -0.15 -0.13 0.08 0.00 -2.87 0.00 0.00 58.31 55.25 1mjw n LYS 115 Cb 0.56 -1.50 0.45 0.00 -1.84 0.00 0.00 35.03 32.70 1mjw n LYS 115 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 1mjw h GLU 116 N 0.31 0.00 -0.00 1.97 4.81 -1.95 -2.71 114.58 117.00 1mjw h GLU 116 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1mjw h GLU 116 Cb 0.39 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.77 1mjw h GLU 116 CO 0.00 0.00 0.00 0.66 -0.73 0.00 0.00 179.01 178.94 1mjw n TYR 117 N -2.15 0.00 -0.29 0.92 4.01 -1.26 -4.71 117.16 113.68 1mjw n TYR 117 Ca -0.01 -0.05 0.17 0.00 -0.16 0.00 0.00 57.90 57.85 1mjw n TYR 117 Cb 0.24 -0.01 0.44 0.00 -0.31 0.00 0.00 39.34 39.70 1mjw n TYR 117 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1mjw h ASP 118 N 0.09 0.56 0.23 7.72 3.32 -1.76 0.91 116.42 127.49 1mjw h ASP 118 Ca 0.00 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1mjw h ASP 118 Cb 0.07 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.58 1mjw h ASP 118 CO 0.00 0.21 0.00 0.00 -1.72 0.00 0.00 179.24 177.73 1mjw n HIS 119 N -4.60 0.00 -3.27 4.55 1.44 -1.26 -4.58 115.22 107.50 1mjw n HIS 119 Ca 0.21 0.00 -0.45 0.00 -2.01 0.00 0.00 57.72 55.46 1mjw n HIS 119 Cb 0.65 -0.14 -0.05 0.00 0.12 0.00 0.00 29.99 30.56 1mjw n HIS 119 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1mjw s ILE 120 N -2.29 5.12 -0.05 0.61 1.01 0.31 -4.81 121.20 121.10 1mjw s ILE 120 Ca 0.30 -1.32 0.09 0.00 0.00 0.00 0.00 60.65 59.72 1mjw s ILE 120 Cb 0.17 -4.34 -0.13 0.00 0.01 0.00 0.00 42.46 38.16 1mjw s ILE 120 CO 0.33 -0.89 0.12 0.29 0.00 0.00 0.00 174.94 174.79 1mjw n LYS 121 N 5.49 1.48 -3.94 2.79 4.76 -1.26 -5.00 118.16 122.48 1mjw n LYS 121 Ca -0.13 -0.04 -0.11 0.00 -2.87 0.00 0.00 58.31 55.16 1mjw n LYS 121 Cb 0.41 -1.23 -0.02 0.00 -1.84 0.00 0.00 35.03 32.35 1mjw n LYS 121 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1mjw s ASP 122 N -3.65 0.27 0.28 4.39 -1.08 -1.26 -4.81 116.67 110.81 1mjw s ASP 122 Ca -0.04 -1.16 0.07 0.00 -0.52 0.00 0.00 52.55 50.89 1mjw s ASP 122 Cb 0.04 0.72 0.40 0.00 -1.46 0.00 0.00 42.92 42.63 1mjw s ASP 122 CO 0.39 -1.42 1.66 -0.37 0.52 0.00 0.00 175.17 175.95 1mjw h VAL 123 N 2.09 1.34 0.00 1.11 -1.51 -1.82 0.66 116.25 118.12 1mjw h VAL 123 Ca -0.28 -1.70 0.00 0.00 -1.23 0.00 0.00 66.70 63.49 1mjw h VAL 123 Cb 1.25 1.83 0.00 0.00 -2.13 0.00 0.00 31.29 32.23 1mjw h VAL 123 CO 0.37 0.50 0.00 0.59 -1.23 0.00 0.00 177.57 177.80 1mjw n ASN 124 N -3.96 0.00 0.03 4.19 3.02 -1.26 -3.22 115.26 114.05 1mjw n ASN 124 Ca -0.02 0.48 -0.07 0.00 -0.03 0.00 0.00 54.58 54.94 1mjw n ASN 124 Cb 0.53 -0.49 -0.13 0.00 -0.61 0.00 0.00 39.78 39.08 1mjw n ASN 124 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 1mjw h ASP 125 N 0.00 0.00 -1.60 6.41 3.32 -1.23 -3.46 116.42 119.86 1mjw h ASP 125 Ca 0.00 0.00 -0.68 0.00 0.02 0.00 0.00 57.03 56.37 1mjw h ASP 125 Cb 0.32 0.00 0.08 0.00 0.22 0.00 0.00 39.33 39.95 1mjw h ASP 125 CO 0.00 0.99 0.08 0.18 -1.72 0.00 0.00 179.24 178.77 1mjw n LEU 126 N -3.23 0.74 -4.56 1.55 4.77 -1.20 -4.91 117.00 110.16 1mjw n LEU 126 Ca -0.06 1.14 -0.51 0.00 -0.03 0.00 0.00 56.01 56.55 1mjw n LEU 126 Cb 0.98 -1.11 -0.05 0.00 -2.33 0.00 0.00 43.42 40.91 1mjw n LEU 126 CO 0.46 -1.72 0.69 -2.65 -1.33 0.00 0.00 177.39 172.85 1mjw n PRO 127 N 1.55 0.90 -0.33 3.23 -0.02 -1.26 -4.84 135.00 134.23 1mjw n PRO 127 Ca 0.16 0.32 0.05 0.00 -2.02 0.00 0.00 63.50 62.02 1mjw n PRO 127 Cb 0.21 -1.82 0.20 0.00 -0.02 0.00 0.00 33.50 32.07 1mjw n PRO 127 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1mjw h GLU 128 N 3.46 0.85 -0.47 -0.52 4.22 -1.94 -1.00 114.58 119.19 1mjw h GLU 128 Ca -0.45 -0.05 -0.00 0.00 0.08 0.00 0.00 59.36 58.94 1mjw h GLU 128 Cb 1.36 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 30.40 1mjw h GLU 128 CO 0.70 0.56 0.28 1.25 -2.18 0.00 0.00 179.01 179.63 1mjw h LEU 129 N 0.88 0.57 -0.54 1.64 5.85 -1.99 -0.31 115.31 121.40 1mjw h LEU 129 Ca 0.45 -0.06 -0.04 0.00 0.84 0.00 0.00 57.88 59.07 1mjw h LEU 129 Cb 0.44 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 1mjw h LEU 129 CO -0.26 0.46 0.18 0.25 -0.34 0.00 0.00 178.44 178.73 1mjw h LEU 130 N 0.63 0.78 -0.58 2.25 5.85 -1.71 0.15 115.31 122.68 1mjw h LEU 130 Ca 0.17 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 1mjw h LEU 130 Cb -0.01 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.79 1mjw h LEU 130 CO -0.03 0.77 0.31 0.11 -0.34 0.00 0.00 178.44 179.26 1mjw h LYS 131 N 0.75 0.81 -0.76 1.25 1.57 -0.75 -0.28 116.57 119.15 1mjw h LYS 131 Ca 0.18 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 1mjw h LYS 131 Cb 0.26 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.37 1mjw h LYS 131 CO -0.01 0.62 0.45 0.00 -0.57 0.00 0.00 179.45 179.94 1mjw h ALA 132 N 1.14 1.35 -0.39 3.86 0.00 -0.68 -1.70 119.26 122.83 1mjw h ALA 132 Ca 0.20 -0.10 -0.16 0.00 0.00 0.00 0.00 54.91 54.86 1mjw h ALA 132 Cb 0.05 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1mjw h ALA 132 CO -0.03 0.55 -0.38 1.96 0.00 0.00 0.00 179.25 181.35 1mjw h GLN 133 N 1.06 0.94 -0.17 0.00 4.20 0.04 -0.91 115.11 120.26 1mjw h GLN 133 Ca 0.27 -0.49 -0.01 0.00 0.06 0.00 0.00 58.65 58.48 1mjw h GLN 133 Cb -0.02 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 1mjw h GLN 133 CO -0.05 1.15 0.08 0.82 -0.67 0.00 0.00 178.83 180.17 1mjw h ILE 134 N 0.77 1.13 -0.65 2.54 2.04 -0.85 -0.09 117.51 122.39 1mjw h ILE 134 Ca 0.06 -0.38 -0.02 0.00 1.00 0.00 0.00 64.86 65.53 1mjw h ILE 134 Cb 0.97 1.07 -0.03 0.00 -0.74 0.00 0.00 36.82 38.09 1mjw h ILE 134 CO 0.09 0.12 0.34 0.00 0.00 0.00 0.00 178.15 178.71 1mjw h ALA 135 N 0.95 0.84 -0.93 1.87 0.00 -1.27 -1.25 119.26 119.47 1mjw h ALA 135 Ca 0.06 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1mjw h ALA 135 Cb 0.12 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 1mjw h ALA 135 CO -0.01 0.38 0.56 1.25 0.00 0.00 0.00 179.25 181.43 1mjw h HIS 136 N 0.90 1.23 -0.09 0.00 -0.00 -1.05 -1.54 115.15 114.59 1mjw h HIS 136 Ca 0.23 -0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.58 1mjw h HIS 136 Cb 0.07 -0.40 -0.00 0.00 -0.00 0.00 0.00 27.41 27.08 1mjw h HIS 136 CO -0.00 0.81 0.01 0.35 -0.00 0.00 0.00 177.93 179.10 1mjw h PHE 137 N 1.28 0.17 0.00 5.26 3.57 -0.32 -2.42 116.94 124.48 1mjw h PHE 137 Ca 0.33 -0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.78 1mjw h PHE 137 Cb -0.05 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 38.64 1mjw h PHE 137 CO 0.01 0.39 -0.12 0.74 -2.23 0.00 0.00 178.31 177.10 1mjw h PHE 138 N -0.10 0.00 0.00 0.41 0.04 -1.03 -0.83 116.94 115.43 1mjw h PHE 138 Ca 0.03 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.77 1mjw h PHE 138 Cb 0.32 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.46 1mjw h PHE 138 CO 0.02 0.12 -0.13 0.93 -0.60 0.00 0.00 178.31 178.66 1mjw h GLU 139 N 0.00 0.00 0.00 1.51 5.08 -1.08 -3.36 114.58 116.72 1mjw h GLU 139 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1mjw h GLU 139 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1mjw h GLU 139 CO 0.02 0.13 -0.60 0.72 -1.00 0.00 0.00 179.01 178.28 1mjw n HIS 140 N -3.17 0.00 0.26 4.33 8.25 -0.93 -4.66 115.22 119.30 1mjw n HIS 140 Ca 0.02 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.59 1mjw n HIS 140 Cb 0.50 0.00 0.71 0.00 1.12 0.00 0.00 29.99 32.32 1mjw n HIS 140 CO 0.00 0.00 0.00 0.10 0.64 0.00 0.00 176.34 177.08 1mjw h TYR 141 N 0.00 0.00 -0.58 4.41 -0.00 -1.32 -1.84 116.97 117.64 1mjw h TYR 141 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 58.73 58.67 1mjw h TYR 141 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 36.73 36.69 1mjw h TYR 141 CO 0.00 0.09 0.08 1.63 -0.00 0.00 0.00 178.16 179.96 1mjw n LYS 142 N -3.97 4.30 0.22 0.10 5.02 -1.26 -4.38 118.16 118.19 1mjw n LYS 142 Ca -0.02 -2.89 0.07 0.00 -2.02 0.00 0.00 58.31 53.44 1mjw n LYS 142 Cb 0.18 -2.20 0.51 0.00 -0.02 0.00 0.00 35.03 33.51 1mjw n LYS 142 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 1mjw h ASP 143 N 3.34 0.00 -0.71 4.39 3.32 -1.65 -0.21 116.42 124.89 1mjw h ASP 143 Ca 0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.12 1mjw h ASP 143 Cb 1.98 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.53 1mjw h ASP 143 CO 0.53 0.24 0.00 0.18 -1.72 0.00 0.00 179.24 178.47 1mjw n LEU 144 N -3.92 4.33 -4.59 1.55 4.77 -1.26 -4.84 117.00 113.04 1mjw n LEU 144 Ca -0.02 -2.17 -0.39 0.00 -0.03 0.00 0.00 56.01 53.39 1mjw n LEU 144 Cb 0.33 -0.53 -0.09 0.00 -2.33 0.00 0.00 43.42 40.79 1mjw n LEU 144 CO 0.35 0.92 0.05 -1.61 -1.33 0.00 0.00 177.39 175.77 1mjw s GLU 145 N -1.35 3.89 0.18 3.23 2.02 -0.09 -5.03 118.70 121.55 1mjw s GLU 145 Ca 0.51 -0.09 -0.31 0.00 0.02 0.00 0.00 54.97 55.09 1mjw s GLU 145 Cb 0.29 -3.70 -0.10 0.00 0.10 0.00 0.00 34.13 30.72 1mjw s GLU 145 CO 0.30 -0.34 1.55 0.15 0.02 0.00 0.00 175.26 176.94 1mjw s LYS 146 N 2.06 4.22 0.00 1.61 -0.14 -1.26 -2.16 119.74 124.06 1mjw s LYS 146 Ca 0.14 2.36 0.00 0.00 -1.36 0.00 0.00 55.97 57.11 1mjw s LYS 146 Cb -0.16 -3.14 0.00 0.00 -1.68 0.00 0.00 37.83 32.85 1mjw s LYS 146 CO 0.11 -0.58 0.00 0.41 -0.76 0.00 0.00 175.35 174.52 1mjw n GLY 147 N 3.49 1.56 3.79 -3.33 0.00 -1.26 -5.04 105.19 104.42 1mjw n GLY 147 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 1mjw n GLY 147 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mjw s LYS 148 N -0.30 3.31 0.10 1.61 1.02 -0.92 -4.83 119.74 119.74 1mjw s LYS 148 Ca 0.00 -0.24 -0.08 0.00 0.02 0.00 0.00 55.97 55.67 1mjw s LYS 148 Cb 0.00 -3.05 -0.01 0.00 -0.52 0.00 0.00 37.83 34.25 1mjw s LYS 148 CO 0.00 0.72 0.19 1.67 -0.92 0.00 0.00 175.35 177.01 1mjw s TRP 149 N -0.89 0.25 -0.03 3.18 1.48 -1.26 -4.82 118.94 116.85 1mjw s TRP 149 Ca 0.14 -0.67 -0.01 0.00 -1.06 0.00 0.00 56.10 54.50 1mjw s TRP 149 Cb -0.12 -0.10 0.03 0.00 -1.16 0.00 0.00 33.47 32.13 1mjw s TRP 149 CO 0.03 -0.57 0.05 0.08 -4.06 0.00 0.00 176.95 172.49 1mjw s VAL 150 N -3.89 -0.07 -0.11 -0.66 1.01 -1.26 -3.37 120.40 112.05 1mjw s VAL 150 Ca 0.08 0.24 0.03 0.00 0.00 0.00 0.00 61.98 62.33 1mjw s VAL 150 Cb 0.05 -0.11 0.00 0.00 0.00 0.00 0.00 36.38 36.32 1mjw s VAL 150 CO -0.08 0.10 -0.22 -0.54 0.00 0.00 0.00 175.10 174.35 1mjw s LYS 151 N 1.23 2.95 -0.10 2.72 1.02 0.10 -4.75 119.74 122.90 1mjw s LYS 151 Ca -0.07 -0.84 -0.20 0.00 0.02 0.00 0.00 55.97 54.88 1mjw s LYS 151 Cb -0.13 -2.29 -0.04 0.00 -0.52 0.00 0.00 37.83 34.85 1mjw s LYS 151 CO -0.03 0.10 0.56 0.08 -0.92 0.00 0.00 175.35 175.13 1mjw s VAL 152 N 0.55 5.14 -0.23 3.17 1.01 -1.26 -0.83 120.40 127.94 1mjw s VAL 152 Ca -0.14 1.12 -0.04 0.00 0.00 0.00 0.00 61.98 62.92 1mjw s VAL 152 Cb -0.17 -3.89 -0.18 0.00 0.00 0.00 0.00 36.38 32.13 1mjw s VAL 152 CO 0.05 0.29 -0.08 -0.62 0.00 0.00 0.00 175.10 174.73 1mjw n GLU 153 N 3.76 0.66 -3.79 2.72 -0.58 0.19 -4.94 120.64 118.65 1mjw n GLU 153 Ca -0.05 0.22 0.00 0.00 -0.42 0.00 0.00 57.16 56.91 1mjw n GLU 153 Cb 0.51 -1.57 0.00 0.00 -0.57 0.00 0.00 31.44 29.81 1mjw n GLU 153 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1mjw n GLY 154 N 1.99 -2.32 3.91 0.62 0.00 -1.16 -4.99 105.19 103.25 1mjw n GLY 154 Ca -0.43 -1.33 -0.31 0.00 0.00 0.00 0.00 46.02 43.94 1mjw n GLY 154 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1mjw s TRP 155 N -2.24 3.51 0.18 1.61 0.52 -1.26 -1.10 118.94 120.15 1mjw s TRP 155 Ca 0.00 0.34 0.07 0.00 0.02 0.00 0.00 56.10 56.53 1mjw s TRP 155 Cb 0.00 -1.83 -0.04 0.00 -1.15 0.00 0.00 33.47 30.44 1mjw s TRP 155 CO 0.00 0.54 -0.15 -1.21 0.02 0.00 0.00 176.95 176.15 1mjw s GLU 156 N -2.58 1.24 0.91 4.98 2.02 0.55 -4.93 118.70 120.90 1mjw s GLU 156 Ca 0.37 -1.47 -0.14 0.00 0.02 0.00 0.00 54.97 53.74 1mjw s GLU 156 Cb -0.13 -1.11 0.21 0.00 0.10 0.00 0.00 34.13 33.20 1mjw s GLU 156 CO 0.27 0.20 1.24 0.27 0.02 0.00 0.00 175.26 177.26 1mjw n ASN 157 N -0.02 0.21 -0.19 -0.19 0.23 -1.26 -1.25 115.26 112.78 1mjw n ASN 157 Ca -0.11 -1.52 0.04 0.00 -0.53 0.00 0.00 54.58 52.47 1mjw n ASN 157 Cb 0.59 -0.94 0.32 0.00 -2.08 0.00 0.00 39.78 37.67 1mjw n ASN 157 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1mjw h ALA 158 N -1.69 1.62 -0.59 -2.53 0.00 -1.83 -1.46 119.26 112.77 1mjw h ALA 158 Ca -0.40 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.43 1mjw h ALA 158 Cb 1.13 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 1mjw h ALA 158 CO 0.29 0.29 0.19 0.93 0.00 0.00 0.00 179.25 180.95 1mjw h GLU 159 N 0.85 0.92 -0.63 0.00 4.39 -1.93 0.23 114.58 118.41 1mjw h GLU 159 Ca 0.30 -0.20 -0.07 0.00 0.34 0.00 0.00 59.36 59.73 1mjw h GLU 159 Cb 0.13 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 28.62 1mjw h GLU 159 CO -0.09 0.82 0.11 0.00 -1.16 0.00 0.00 179.01 178.69 1mjw h ALA 160 N 1.06 1.01 0.24 3.43 0.00 -1.71 0.56 119.26 123.84 1mjw h ALA 160 Ca 0.19 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1mjw h ALA 160 Cb 0.28 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1mjw h ALA 160 CO -0.01 0.63 -0.12 0.00 0.00 0.00 0.00 179.25 179.76 1mjw h ALA 161 N 1.15 -0.33 -0.63 0.00 0.00 -0.82 -2.14 119.26 116.50 1mjw h ALA 161 Ca 0.20 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 55.06 1mjw h ALA 161 Cb 0.40 0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.26 1mjw h ALA 161 CO 0.01 -0.62 0.32 0.87 0.00 0.00 0.00 179.25 179.83 1mjw h LYS 162 N -0.45 0.56 -0.61 0.00 1.57 -0.39 -2.14 116.57 115.11 1mjw h LYS 162 Ca -0.03 -0.03 0.08 0.00 -1.87 0.00 0.00 60.65 58.79 1mjw h LYS 162 Cb 0.34 -0.13 -0.06 0.00 0.08 0.00 0.00 32.23 32.46 1mjw h LYS 162 CO 0.05 0.37 0.27 0.00 -0.57 0.00 0.00 179.45 179.58 1mjw h ALA 163 N 1.36 0.80 -0.71 3.86 0.00 -0.74 -1.49 119.26 122.34 1mjw h ALA 163 Ca 0.30 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.25 1mjw h ALA 163 Cb 0.25 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1mjw h ALA 163 CO -0.22 -0.12 0.37 1.49 0.00 0.00 0.00 179.25 180.78 1mjw h GLU 164 N 0.49 1.01 0.48 0.00 4.57 -0.83 -0.11 114.58 120.19 1mjw h GLU 164 Ca 0.30 -0.13 -0.02 0.00 -1.18 0.00 0.00 59.36 58.32 1mjw h GLU 164 Cb 0.30 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 28.71 1mjw h GLU 164 CO -0.25 0.77 -0.23 0.82 -1.18 0.00 0.00 179.01 178.93 1mjw h ILE 165 N 0.99 0.53 -0.31 2.32 2.04 -0.98 -1.51 117.51 120.59 1mjw h ILE 165 Ca 0.25 -0.02 0.07 0.00 1.00 0.00 0.00 64.86 66.15 1mjw h ILE 165 Cb 0.07 0.54 -0.06 0.00 -0.74 0.00 0.00 36.82 36.62 1mjw h ILE 165 CO -0.04 0.00 -0.11 0.58 0.00 0.00 0.00 178.15 178.58 1mjw h VAL 166 N -0.66 0.61 -0.94 1.67 2.07 -1.14 -0.79 116.25 117.08 1mjw h VAL 166 Ca -0.07 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.57 1mjw h VAL 166 Cb 0.50 0.61 -0.08 0.00 -1.52 0.00 0.00 31.29 30.80 1mjw h VAL 166 CO 0.11 0.00 0.57 0.00 0.02 0.00 0.00 177.57 178.27 1mjw h ALA 167 N 1.23 1.39 0.00 1.67 0.00 -0.95 0.83 119.26 123.44 1mjw h ALA 167 Ca 0.16 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 1mjw h ALA 167 Cb 0.29 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1mjw h ALA 167 CO -0.35 0.17 -1.03 0.77 0.00 0.00 0.00 179.25 178.81 1mjw h SER 168 N 0.91 0.00 -0.02 0.00 0.02 -0.98 0.75 113.55 114.23 1mjw h SER 168 Ca 0.46 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.37 1mjw h SER 168 Cb 0.46 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.00 1mjw h SER 168 CO -0.27 0.37 -0.16 0.15 -1.14 0.00 0.00 176.83 175.79 1mjw h PHE 169 N 0.00 0.19 -0.92 3.45 3.57 -0.78 0.13 116.94 122.58 1mjw h PHE 169 Ca -0.08 -0.09 0.03 0.00 3.53 0.00 0.00 57.97 61.36 1mjw h PHE 169 Cb 1.35 -0.03 -0.05 0.00 2.79 0.00 0.00 35.95 40.01 1mjw h PHE 169 CO 0.00 0.83 0.60 0.93 -2.23 0.00 0.00 178.31 178.44 1mjw h GLU 170 N -0.51 1.14 0.00 1.11 4.39 -0.84 -2.07 114.58 117.80 1mjw h GLU 170 Ca -0.01 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.62 1mjw h GLU 170 Cb 0.87 -0.26 0.00 0.00 -0.10 0.00 0.00 28.75 29.26 1mjw h GLU 170 CO 0.03 0.75 0.00 -2.13 -1.16 0.00 0.00 179.01 176.50 1mjw n ARG 171 N -4.49 0.17 -0.04 2.33 0.63 0.25 -2.48 116.66 113.03 1mjw n ARG 171 Ca 0.12 0.53 -0.09 0.00 -0.92 0.00 0.00 57.85 57.48 1mjw n ARG 171 Cb 0.08 -1.91 -0.14 0.00 0.45 0.00 0.00 32.46 30.93 1mjw n ARG 171 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1mjw n ALA 172 N -1.77 1.47 0.38 5.13 0.00 -0.79 -3.46 120.51 121.46 1mjw n ALA 172 Ca 0.00 -0.88 -0.15 0.00 0.00 0.00 0.00 53.44 52.41 1mjw n ALA 172 Cb 0.13 -0.70 -0.07 0.00 0.00 0.00 0.00 19.45 18.82 1mjw n ALA 172 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1mjw h LYS 173 N 0.00 -0.93 -1.08 0.00 1.57 -1.29 -3.28 116.57 111.56 1mjw h LYS 173 Ca -0.35 0.06 0.31 0.00 -1.87 0.00 0.00 60.65 58.81 1mjw h LYS 173 Cb 2.06 0.21 -0.04 0.00 0.08 0.00 0.00 32.23 34.54 1mjw h LYS 173 CO 0.07 -0.62 0.78 -0.97 -0.57 0.00 0.00 179.45 178.14 1mjw h ASN 174 N -0.96 0.00 -0.03 0.86 -0.00 -1.68 -3.53 115.58 110.24 1mjw h ASN 174 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.20 1mjw h ASN 174 Cb 0.74 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.06 1mjw h ASN 174 CO 0.16 0.00 0.00 0.29 -0.00 0.00 0.00 177.43 177.88